USER MOD reduce.3.24.130724 H: found=0, std=0, add=578, rem=0, adj=19 USER MOD reduce.3.24.130724 removed 579 hydrogens (0 hets) USER MOD ----------------------------------------------------------------- USER MOD scores for adjustable sidechains, with "set" totals for H,N and Q USER MOD "o" means original, "f" means flipped, "180deg" is methyl default USER MOD "!" flags a clash with an overlap of 0.40A or greater USER MOD flip categories: "K"=keep, "C"=clashes, "X"=uncertain, "F"=flip USER MOD Set 1.1: A 27 ASN : amide:sc= 0.953 K(o=1.5,f=-4!) USER MOD Set 1.2: A 29 THR OG1 : rot 19:sc= 0.589 USER MOD Single : A 16 LYS NZ :NH3+ -171:sc=-0.00141 (180deg=-0.0893) USER MOD Single : A 17 THR OG1 : rot 180:sc= 0 USER MOD Single : A 19 MET CE :methyl -139:sc= -0.0562 (180deg=-0.737) USER MOD Single : A 20 MET CE :methyl -146:sc= -3.57! (180deg=-4.76!) USER MOD Single : A 23 THR OG1 : rot 130:sc= 1.28 USER MOD Single : A 25 SER OG : rot 75:sc= 1.21 USER MOD Single : A 31 LYS NZ :NH3+ 159:sc= 2.57 (180deg=2.36) USER MOD Single : A 33 THR OG1 : rot 98:sc= -0.507! USER MOD Single : A 37 THR OG1 : rot -94:sc= 1.14 USER MOD Single : A 38 SER OG : rot -92:sc= 1.23 USER MOD Single : A 41 GLN : amide:sc= 1.23 K(o=1.2,f=-0.32) USER MOD Single : A 43 SER OG : rot -84:sc= 1.26 USER MOD Single : A 46 ASN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 48 ASN : amide:sc= -0.254 X(o=-0.25,f=-0.046) USER MOD Single : A 49 TYR OH : rot 180:sc= 0 USER MOD Single : A 52 GLN : amide:sc= -1.43 K(o=-1.4,f=-2.2!) USER MOD Single : A 58 SER OG : rot 180:sc=-0.00276 USER MOD Single : A 64 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Single : A 69 SER OG : rot 77:sc= 0.355 USER MOD Single : A 70 TYR OH : rot -129:sc= 1.06 USER MOD Single : A 75 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 80 SER OG : rot -37:sc= 0.00703 USER MOD Single : A 81 GLN : amide:sc= -0.302 X(o=-0.3,f=-0.65) USER MOD Single : A 84 CYS SG : rot -90:sc= -1.32 USER MOD Single : A 88 THR OG1 : rot -7:sc= 0.592 USER MOD ----------------------------------------------------------------- ATOM 233 N LYS A 16 0.310 14.260 0.951 1.00 0.00 N ATOM 234 CA LYS A 16 0.963 14.005 -0.328 1.00 0.00 C ATOM 235 C LYS A 16 0.264 12.843 -1.003 1.00 0.00 C ATOM 236 O LYS A 16 -0.332 12.009 -0.326 1.00 0.00 O ATOM 237 CB LYS A 16 2.479 13.656 -0.192 1.00 0.00 C ATOM 238 CG LYS A 16 3.449 14.803 0.150 1.00 0.00 C ATOM 239 CD LYS A 16 3.297 15.333 1.565 1.00 0.00 C ATOM 240 CE LYS A 16 4.305 16.437 1.857 1.00 0.00 C ATOM 241 NZ LYS A 16 5.712 15.959 1.869 1.00 0.00 N ATOM 0 HA LYS A 16 0.894 14.923 -0.911 1.00 0.00 H new ATOM 0 HB2 LYS A 16 2.579 12.891 0.578 1.00 0.00 H new ATOM 0 HB3 LYS A 16 2.806 13.209 -1.131 1.00 0.00 H new ATOM 0 HG2 LYS A 16 4.472 14.455 0.010 1.00 0.00 H new ATOM 0 HG3 LYS A 16 3.292 15.621 -0.553 1.00 0.00 H new ATOM 0 HD2 LYS A 16 2.286 15.715 1.705 1.00 0.00 H new ATOM 0 HD3 LYS A 16 3.431 14.518 2.277 1.00 0.00 H new ATOM 0 HE2 LYS A 16 4.201 17.222 1.108 1.00 0.00 H new ATOM 0 HE3 LYS A 16 4.073 16.886 2.823 1.00 0.00 H new ATOM 0 HZ1 LYS A 16 6.333 16.716 2.221 1.00 0.00 H new ATOM 0 HZ2 LYS A 16 5.791 15.129 2.491 1.00 0.00 H new ATOM 0 HZ3 LYS A 16 5.998 15.697 0.904 1.00 0.00 H new ATOM 255 N THR A 17 0.323 12.789 -2.291 1.00 0.00 N ATOM 256 CA THR A 17 -0.199 11.667 -3.019 1.00 0.00 C ATOM 257 C THR A 17 0.908 10.608 -3.012 1.00 0.00 C ATOM 258 O THR A 17 2.048 10.916 -3.348 1.00 0.00 O ATOM 259 CB THR A 17 -0.538 12.111 -4.460 1.00 0.00 C ATOM 260 OG1 THR A 17 -1.423 13.248 -4.393 1.00 0.00 O ATOM 261 CG2 THR A 17 -1.221 11.004 -5.261 1.00 0.00 C ATOM 0 H THR A 17 0.733 13.518 -2.875 1.00 0.00 H new ATOM 0 HA THR A 17 -1.112 11.269 -2.576 1.00 0.00 H new ATOM 0 HB THR A 17 0.396 12.359 -4.964 1.00 0.00 H new ATOM 0 HG1 THR A 17 -1.646 13.543 -5.301 1.00 0.00 H new ATOM 0 HG21 THR A 17 -1.439 11.364 -6.266 1.00 0.00 H new ATOM 0 HG22 THR A 17 -0.561 10.138 -5.321 1.00 0.00 H new ATOM 0 HG23 THR A 17 -2.150 10.719 -4.768 1.00 0.00 H new ATOM 269 N LEU A 18 0.617 9.409 -2.564 1.00 0.00 N ATOM 270 CA LEU A 18 1.670 8.420 -2.447 1.00 0.00 C ATOM 271 C LEU A 18 1.177 7.122 -3.045 1.00 0.00 C ATOM 272 O LEU A 18 0.262 6.546 -2.548 1.00 0.00 O ATOM 273 CB LEU A 18 1.994 8.195 -0.946 1.00 0.00 C ATOM 274 CG LEU A 18 3.467 8.077 -0.494 1.00 0.00 C ATOM 275 CD1 LEU A 18 4.246 7.052 -1.226 1.00 0.00 C ATOM 276 CD2 LEU A 18 4.208 9.398 -0.414 1.00 0.00 C ATOM 0 H LEU A 18 -0.312 9.097 -2.281 1.00 0.00 H new ATOM 0 HA LEU A 18 2.565 8.761 -2.968 1.00 0.00 H new ATOM 0 HB2 LEU A 18 1.546 9.018 -0.389 1.00 0.00 H new ATOM 0 HB3 LEU A 18 1.483 7.284 -0.635 1.00 0.00 H new ATOM 0 HG LEU A 18 3.381 7.720 0.532 1.00 0.00 H new ATOM 0 HD11 LEU A 18 5.268 7.034 -0.848 1.00 0.00 H new ATOM 0 HD12 LEU A 18 3.788 6.074 -1.080 1.00 0.00 H new ATOM 0 HD13 LEU A 18 4.256 7.293 -2.289 1.00 0.00 H new ATOM 0 HD21 LEU A 18 5.233 9.221 -0.089 1.00 0.00 H new ATOM 0 HD22 LEU A 18 4.215 9.871 -1.396 1.00 0.00 H new ATOM 0 HD23 LEU A 18 3.709 10.052 0.301 1.00 0.00 H new ATOM 288 N MET A 19 1.729 6.696 -4.116 1.00 0.00 N ATOM 289 CA MET A 19 1.351 5.388 -4.648 1.00 0.00 C ATOM 290 C MET A 19 2.157 4.324 -3.940 1.00 0.00 C ATOM 291 O MET A 19 3.385 4.448 -3.824 1.00 0.00 O ATOM 292 CB MET A 19 1.565 5.273 -6.182 1.00 0.00 C ATOM 293 CG MET A 19 3.007 5.460 -6.648 1.00 0.00 C ATOM 294 SD MET A 19 3.237 5.173 -8.413 1.00 0.00 S ATOM 295 CE MET A 19 2.950 3.407 -8.500 1.00 0.00 C ATOM 0 H MET A 19 2.434 7.201 -4.653 1.00 0.00 H new ATOM 0 HA MET A 19 0.284 5.254 -4.470 1.00 0.00 H new ATOM 0 HB2 MET A 19 1.217 4.293 -6.510 1.00 0.00 H new ATOM 0 HB3 MET A 19 0.940 6.016 -6.678 1.00 0.00 H new ATOM 0 HG2 MET A 19 3.329 6.473 -6.408 1.00 0.00 H new ATOM 0 HG3 MET A 19 3.651 4.780 -6.091 1.00 0.00 H new ATOM 0 HE1 MET A 19 3.672 2.954 -9.179 1.00 0.00 H new ATOM 0 HE2 MET A 19 3.062 2.971 -7.507 1.00 0.00 H new ATOM 0 HE3 MET A 19 1.941 3.220 -8.867 1.00 0.00 H new ATOM 305 N MET A 20 1.506 3.317 -3.395 1.00 0.00 N ATOM 306 CA MET A 20 2.274 2.275 -2.801 1.00 0.00 C ATOM 307 C MET A 20 2.347 1.108 -3.724 1.00 0.00 C ATOM 308 O MET A 20 1.334 0.405 -3.936 1.00 0.00 O ATOM 309 CB MET A 20 1.772 1.828 -1.442 1.00 0.00 C ATOM 310 CG MET A 20 2.891 1.109 -0.691 1.00 0.00 C ATOM 311 SD MET A 20 2.550 0.743 1.038 1.00 0.00 S ATOM 312 CE MET A 20 2.078 2.358 1.649 1.00 0.00 C ATOM 0 H MET A 20 0.492 3.209 -3.356 1.00 0.00 H new ATOM 0 HA MET A 20 3.266 2.694 -2.632 1.00 0.00 H new ATOM 0 HB2 MET A 20 1.431 2.690 -0.868 1.00 0.00 H new ATOM 0 HB3 MET A 20 0.915 1.164 -1.560 1.00 0.00 H new ATOM 0 HG2 MET A 20 3.109 0.174 -1.207 1.00 0.00 H new ATOM 0 HG3 MET A 20 3.792 1.720 -0.745 1.00 0.00 H new ATOM 0 HE1 MET A 20 2.410 2.468 2.681 1.00 0.00 H new ATOM 0 HE2 MET A 20 2.542 3.129 1.034 1.00 0.00 H new ATOM 0 HE3 MET A 20 0.994 2.461 1.604 1.00 0.00 H new ATOM 322 N PHE A 21 3.526 0.926 -4.287 1.00 0.00 N ATOM 323 CA PHE A 21 3.828 -0.168 -5.174 1.00 0.00 C ATOM 324 C PHE A 21 4.421 -1.231 -4.306 1.00 0.00 C ATOM 325 O PHE A 21 5.505 -1.047 -3.710 1.00 0.00 O ATOM 326 CB PHE A 21 4.804 0.315 -6.263 1.00 0.00 C ATOM 327 CG PHE A 21 5.280 -0.687 -7.294 1.00 0.00 C ATOM 328 CD1 PHE A 21 6.088 -1.755 -6.946 1.00 0.00 C ATOM 329 CD2 PHE A 21 4.948 -0.516 -8.631 1.00 0.00 C ATOM 330 CE1 PHE A 21 6.546 -2.634 -7.897 1.00 0.00 C ATOM 331 CE2 PHE A 21 5.406 -1.397 -9.590 1.00 0.00 C ATOM 332 CZ PHE A 21 6.206 -2.457 -9.221 1.00 0.00 C ATOM 0 H PHE A 21 4.316 1.553 -4.133 1.00 0.00 H new ATOM 0 HA PHE A 21 2.952 -0.554 -5.696 1.00 0.00 H new ATOM 0 HB2 PHE A 21 4.328 1.139 -6.795 1.00 0.00 H new ATOM 0 HB3 PHE A 21 5.683 0.723 -5.765 1.00 0.00 H new ATOM 0 HD1 PHE A 21 6.363 -1.900 -5.912 1.00 0.00 H new ATOM 0 HD2 PHE A 21 4.324 0.316 -8.924 1.00 0.00 H new ATOM 0 HE1 PHE A 21 7.173 -3.464 -7.607 1.00 0.00 H new ATOM 0 HE2 PHE A 21 5.138 -1.256 -10.627 1.00 0.00 H new ATOM 0 HZ PHE A 21 6.566 -3.148 -9.969 1.00 0.00 H new ATOM 342 N VAL A 22 3.731 -2.302 -4.203 1.00 0.00 N ATOM 343 CA VAL A 22 4.051 -3.293 -3.244 1.00 0.00 C ATOM 344 C VAL A 22 4.205 -4.689 -3.845 1.00 0.00 C ATOM 345 O VAL A 22 3.333 -5.178 -4.571 1.00 0.00 O ATOM 346 CB VAL A 22 3.001 -3.239 -2.087 1.00 0.00 C ATOM 347 CG1 VAL A 22 1.604 -3.083 -2.654 1.00 0.00 C ATOM 348 CG2 VAL A 22 3.067 -4.472 -1.205 1.00 0.00 C ATOM 0 H VAL A 22 2.922 -2.520 -4.785 1.00 0.00 H new ATOM 0 HA VAL A 22 5.037 -3.071 -2.835 1.00 0.00 H new ATOM 0 HB VAL A 22 3.241 -2.375 -1.468 1.00 0.00 H new ATOM 0 HG11 VAL A 22 0.882 -3.047 -1.838 1.00 0.00 H new ATOM 0 HG12 VAL A 22 1.546 -2.160 -3.231 1.00 0.00 H new ATOM 0 HG13 VAL A 22 1.377 -3.930 -3.301 1.00 0.00 H new ATOM 0 HG21 VAL A 22 2.321 -4.394 -0.414 1.00 0.00 H new ATOM 0 HG22 VAL A 22 2.868 -5.360 -1.805 1.00 0.00 H new ATOM 0 HG23 VAL A 22 4.060 -4.549 -0.761 1.00 0.00 H new ATOM 358 N THR A 23 5.344 -5.284 -3.576 1.00 0.00 N ATOM 359 CA THR A 23 5.612 -6.623 -3.963 1.00 0.00 C ATOM 360 C THR A 23 5.038 -7.641 -2.888 1.00 0.00 C ATOM 361 O THR A 23 5.132 -7.353 -1.654 1.00 0.00 O ATOM 362 CB THR A 23 7.136 -6.814 -4.151 1.00 0.00 C ATOM 363 OG1 THR A 23 7.586 -6.115 -5.324 1.00 0.00 O ATOM 364 CG2 THR A 23 7.563 -8.280 -4.173 1.00 0.00 C ATOM 0 H THR A 23 6.111 -4.834 -3.076 1.00 0.00 H new ATOM 0 HA THR A 23 5.115 -6.828 -4.911 1.00 0.00 H new ATOM 0 HB THR A 23 7.620 -6.381 -3.276 1.00 0.00 H new ATOM 0 HG1 THR A 23 8.359 -5.557 -5.096 1.00 0.00 H new ATOM 0 HG21 THR A 23 8.643 -8.342 -4.308 1.00 0.00 H new ATOM 0 HG22 THR A 23 7.287 -8.754 -3.231 1.00 0.00 H new ATOM 0 HG23 THR A 23 7.064 -8.792 -4.996 1.00 0.00 H new ATOM 372 N VAL A 24 4.479 -8.814 -3.347 1.00 0.00 N ATOM 373 CA VAL A 24 3.925 -9.845 -2.530 1.00 0.00 C ATOM 374 C VAL A 24 4.690 -11.134 -2.992 1.00 0.00 C ATOM 375 O VAL A 24 4.776 -11.350 -4.190 1.00 0.00 O ATOM 376 CB VAL A 24 2.365 -9.937 -2.802 1.00 0.00 C ATOM 377 CG1 VAL A 24 2.026 -10.254 -4.246 1.00 0.00 C ATOM 378 CG2 VAL A 24 1.690 -10.911 -1.884 1.00 0.00 C ATOM 0 H VAL A 24 4.422 -9.031 -4.342 1.00 0.00 H new ATOM 0 HA VAL A 24 4.036 -9.682 -1.458 1.00 0.00 H new ATOM 0 HB VAL A 24 1.979 -8.939 -2.593 1.00 0.00 H new ATOM 0 HG11 VAL A 24 0.943 -10.303 -4.363 1.00 0.00 H new ATOM 0 HG12 VAL A 24 2.427 -9.474 -4.893 1.00 0.00 H new ATOM 0 HG13 VAL A 24 2.464 -11.214 -4.520 1.00 0.00 H new ATOM 0 HG21 VAL A 24 0.623 -10.941 -2.106 1.00 0.00 H new ATOM 0 HG22 VAL A 24 2.119 -11.903 -2.027 1.00 0.00 H new ATOM 0 HG23 VAL A 24 1.836 -10.598 -0.850 1.00 0.00 H new ATOM 388 N SER A 25 5.290 -11.977 -2.125 1.00 0.00 N ATOM 389 CA SER A 25 6.191 -12.944 -2.721 1.00 0.00 C ATOM 390 C SER A 25 6.124 -14.335 -2.086 1.00 0.00 C ATOM 391 O SER A 25 7.117 -15.085 -2.099 1.00 0.00 O ATOM 392 CB SER A 25 7.613 -12.381 -2.673 1.00 0.00 C ATOM 393 OG SER A 25 8.393 -12.811 -3.770 1.00 0.00 O ATOM 0 H SER A 25 5.177 -12.003 -1.112 1.00 0.00 H new ATOM 0 HA SER A 25 5.873 -13.096 -3.753 1.00 0.00 H new ATOM 0 HB2 SER A 25 7.571 -11.292 -2.664 1.00 0.00 H new ATOM 0 HB3 SER A 25 8.093 -12.689 -1.744 1.00 0.00 H new ATOM 0 HG SER A 25 8.120 -12.324 -4.576 1.00 0.00 H new ATOM 399 N GLY A 26 4.989 -14.708 -1.566 1.00 0.00 N ATOM 400 CA GLY A 26 4.850 -16.059 -1.091 1.00 0.00 C ATOM 401 C GLY A 26 4.550 -16.965 -2.264 1.00 0.00 C ATOM 402 O GLY A 26 5.004 -18.122 -2.323 1.00 0.00 O ATOM 0 H GLY A 26 4.165 -14.115 -1.461 1.00 0.00 H new ATOM 0 HA2 GLY A 26 5.765 -16.379 -0.593 1.00 0.00 H new ATOM 0 HA3 GLY A 26 4.049 -16.119 -0.355 1.00 0.00 H new ATOM 406 N ASN A 27 3.808 -16.424 -3.217 1.00 0.00 N ATOM 407 CA ASN A 27 3.438 -17.117 -4.411 1.00 0.00 C ATOM 408 C ASN A 27 4.054 -16.378 -5.579 1.00 0.00 C ATOM 409 O ASN A 27 3.805 -15.184 -5.758 1.00 0.00 O ATOM 410 CB ASN A 27 1.917 -17.223 -4.507 1.00 0.00 C ATOM 411 CG ASN A 27 1.403 -17.660 -5.859 1.00 0.00 C ATOM 412 OD1 ASN A 27 1.082 -16.821 -6.707 1.00 0.00 O ATOM 413 ND2 ASN A 27 1.308 -18.945 -6.076 1.00 0.00 N ATOM 0 H ASN A 27 3.446 -15.472 -3.168 1.00 0.00 H new ATOM 0 HA ASN A 27 3.811 -18.141 -4.412 1.00 0.00 H new ATOM 0 HB2 ASN A 27 1.566 -17.929 -3.754 1.00 0.00 H new ATOM 0 HB3 ASN A 27 1.482 -16.254 -4.263 1.00 0.00 H new ATOM 0 HD21 ASN A 27 0.959 -19.287 -6.971 1.00 0.00 H new ATOM 0 HD22 ASN A 27 1.583 -19.607 -5.350 1.00 0.00 H new ATOM 420 N PRO A 28 4.878 -17.045 -6.372 1.00 0.00 N ATOM 421 CA PRO A 28 5.646 -16.406 -7.453 1.00 0.00 C ATOM 422 C PRO A 28 4.880 -16.277 -8.770 1.00 0.00 C ATOM 423 O PRO A 28 5.487 -16.184 -9.848 1.00 0.00 O ATOM 424 CB PRO A 28 6.812 -17.372 -7.621 1.00 0.00 C ATOM 425 CG PRO A 28 6.235 -18.716 -7.325 1.00 0.00 C ATOM 426 CD PRO A 28 5.156 -18.501 -6.296 1.00 0.00 C ATOM 0 HA PRO A 28 5.915 -15.379 -7.205 1.00 0.00 H new ATOM 0 HB2 PRO A 28 7.219 -17.329 -8.631 1.00 0.00 H new ATOM 0 HB3 PRO A 28 7.627 -17.132 -6.938 1.00 0.00 H new ATOM 0 HG2 PRO A 28 5.825 -19.170 -8.228 1.00 0.00 H new ATOM 0 HG3 PRO A 28 7.002 -19.393 -6.948 1.00 0.00 H new ATOM 0 HD2 PRO A 28 4.267 -19.090 -6.520 1.00 0.00 H new ATOM 0 HD3 PRO A 28 5.489 -18.793 -5.300 1.00 0.00 H new ATOM 434 N THR A 29 3.579 -16.202 -8.698 1.00 0.00 N ATOM 435 CA THR A 29 2.771 -16.203 -9.892 1.00 0.00 C ATOM 436 C THR A 29 1.566 -15.304 -9.688 1.00 0.00 C ATOM 437 O THR A 29 1.560 -14.452 -8.784 1.00 0.00 O ATOM 438 CB THR A 29 2.302 -17.640 -10.268 1.00 0.00 C ATOM 439 OG1 THR A 29 1.743 -18.286 -9.127 1.00 0.00 O ATOM 440 CG2 THR A 29 3.427 -18.489 -10.854 1.00 0.00 C ATOM 0 H THR A 29 3.053 -16.139 -7.826 1.00 0.00 H new ATOM 0 HA THR A 29 3.381 -15.828 -10.714 1.00 0.00 H new ATOM 0 HB THR A 29 1.542 -17.538 -11.042 1.00 0.00 H new ATOM 0 HG1 THR A 29 1.505 -17.614 -8.455 1.00 0.00 H new ATOM 0 HG21 THR A 29 3.045 -19.480 -11.098 1.00 0.00 H new ATOM 0 HG22 THR A 29 3.808 -18.014 -11.758 1.00 0.00 H new ATOM 0 HG23 THR A 29 4.232 -18.580 -10.125 1.00 0.00 H new ATOM 448 N GLU A 30 0.544 -15.478 -10.490 1.00 0.00 N ATOM 449 CA GLU A 30 -0.599 -14.638 -10.398 1.00 0.00 C ATOM 450 C GLU A 30 -1.617 -15.203 -9.404 1.00 0.00 C ATOM 451 O GLU A 30 -2.637 -14.604 -9.177 1.00 0.00 O ATOM 452 CB GLU A 30 -1.222 -14.428 -11.782 1.00 0.00 C ATOM 453 CG GLU A 30 -2.337 -13.404 -11.812 1.00 0.00 C ATOM 454 CD GLU A 30 -2.950 -13.268 -13.152 1.00 0.00 C ATOM 455 OE1 GLU A 30 -3.836 -14.068 -13.493 1.00 0.00 O ATOM 456 OE2 GLU A 30 -2.575 -12.341 -13.894 1.00 0.00 O ATOM 0 H GLU A 30 0.491 -16.198 -11.211 1.00 0.00 H new ATOM 0 HA GLU A 30 -0.283 -13.665 -10.021 1.00 0.00 H new ATOM 0 HB2 GLU A 30 -0.441 -14.119 -12.476 1.00 0.00 H new ATOM 0 HB3 GLU A 30 -1.609 -15.381 -12.142 1.00 0.00 H new ATOM 0 HG2 GLU A 30 -3.105 -13.688 -11.092 1.00 0.00 H new ATOM 0 HG3 GLU A 30 -1.946 -12.437 -11.496 1.00 0.00 H new ATOM 463 N LYS A 31 -1.315 -16.319 -8.759 1.00 0.00 N ATOM 464 CA LYS A 31 -2.289 -16.882 -7.839 1.00 0.00 C ATOM 465 C LYS A 31 -2.467 -15.988 -6.625 1.00 0.00 C ATOM 466 O LYS A 31 -3.599 -15.639 -6.253 1.00 0.00 O ATOM 467 CB LYS A 31 -1.975 -18.339 -7.428 1.00 0.00 C ATOM 468 CG LYS A 31 -3.070 -18.967 -6.546 1.00 0.00 C ATOM 469 CD LYS A 31 -2.919 -18.619 -5.059 1.00 0.00 C ATOM 470 CE LYS A 31 -4.275 -18.413 -4.405 1.00 0.00 C ATOM 471 NZ LYS A 31 -4.163 -18.082 -2.967 1.00 0.00 N ATOM 0 H LYS A 31 -0.440 -16.835 -8.849 1.00 0.00 H new ATOM 0 HA LYS A 31 -3.234 -16.924 -8.380 1.00 0.00 H new ATOM 0 HB2 LYS A 31 -1.848 -18.944 -8.326 1.00 0.00 H new ATOM 0 HB3 LYS A 31 -1.027 -18.362 -6.891 1.00 0.00 H new ATOM 0 HG2 LYS A 31 -4.046 -18.630 -6.894 1.00 0.00 H new ATOM 0 HG3 LYS A 31 -3.046 -20.050 -6.664 1.00 0.00 H new ATOM 0 HD2 LYS A 31 -2.383 -19.419 -4.548 1.00 0.00 H new ATOM 0 HD3 LYS A 31 -2.320 -17.715 -4.953 1.00 0.00 H new ATOM 0 HE2 LYS A 31 -4.805 -17.612 -4.919 1.00 0.00 H new ATOM 0 HE3 LYS A 31 -4.873 -19.317 -4.522 1.00 0.00 H new ATOM 0 HZ1 LYS A 31 -5.035 -17.613 -2.650 1.00 0.00 H new ATOM 0 HZ2 LYS A 31 -4.021 -18.955 -2.420 1.00 0.00 H new ATOM 0 HZ3 LYS A 31 -3.354 -17.445 -2.819 1.00 0.00 H new ATOM 485 N GLU A 32 -1.381 -15.608 -6.003 1.00 0.00 N ATOM 486 CA GLU A 32 -1.512 -14.781 -4.830 1.00 0.00 C ATOM 487 C GLU A 32 -1.962 -13.431 -5.275 1.00 0.00 C ATOM 488 O GLU A 32 -2.848 -12.850 -4.699 1.00 0.00 O ATOM 489 CB GLU A 32 -0.221 -14.713 -4.020 1.00 0.00 C ATOM 490 CG GLU A 32 -0.448 -14.783 -2.522 1.00 0.00 C ATOM 491 CD GLU A 32 -1.103 -16.102 -2.159 1.00 0.00 C ATOM 492 OE1 GLU A 32 -2.355 -16.227 -2.244 1.00 0.00 O ATOM 493 OE2 GLU A 32 -0.372 -17.059 -1.829 1.00 0.00 O ATOM 0 H GLU A 32 -0.427 -15.847 -6.275 1.00 0.00 H new ATOM 0 HA GLU A 32 -2.249 -15.217 -4.156 1.00 0.00 H new ATOM 0 HB2 GLU A 32 0.432 -15.533 -4.320 1.00 0.00 H new ATOM 0 HB3 GLU A 32 0.301 -13.786 -4.258 1.00 0.00 H new ATOM 0 HG2 GLU A 32 0.502 -14.682 -1.997 1.00 0.00 H new ATOM 0 HG3 GLU A 32 -1.079 -13.954 -2.202 1.00 0.00 H new ATOM 500 N THR A 33 -1.356 -12.996 -6.348 1.00 0.00 N ATOM 501 CA THR A 33 -1.718 -11.818 -7.080 1.00 0.00 C ATOM 502 C THR A 33 -3.249 -11.697 -7.239 1.00 0.00 C ATOM 503 O THR A 33 -3.814 -10.704 -6.876 1.00 0.00 O ATOM 504 CB THR A 33 -1.074 -11.900 -8.461 1.00 0.00 C ATOM 505 OG1 THR A 33 0.347 -12.069 -8.285 1.00 0.00 O ATOM 506 CG2 THR A 33 -1.358 -10.647 -9.278 1.00 0.00 C ATOM 0 H THR A 33 -0.556 -13.481 -6.753 1.00 0.00 H new ATOM 0 HA THR A 33 -1.370 -10.942 -6.533 1.00 0.00 H new ATOM 0 HB THR A 33 -1.494 -12.745 -9.007 1.00 0.00 H new ATOM 0 HG1 THR A 33 0.577 -13.018 -8.370 1.00 0.00 H new ATOM 0 HG21 THR A 33 -0.886 -10.736 -10.256 1.00 0.00 H new ATOM 0 HG22 THR A 33 -2.434 -10.531 -9.404 1.00 0.00 H new ATOM 0 HG23 THR A 33 -0.957 -9.776 -8.760 1.00 0.00 H new ATOM 514 N GLU A 34 -3.909 -12.739 -7.716 1.00 0.00 N ATOM 515 CA GLU A 34 -5.342 -12.694 -7.944 1.00 0.00 C ATOM 516 C GLU A 34 -6.144 -12.699 -6.637 1.00 0.00 C ATOM 517 O GLU A 34 -7.033 -11.837 -6.451 1.00 0.00 O ATOM 518 CB GLU A 34 -5.783 -13.801 -8.889 1.00 0.00 C ATOM 519 CG GLU A 34 -5.670 -15.209 -8.344 1.00 0.00 C ATOM 520 CD GLU A 34 -6.117 -16.217 -9.349 1.00 0.00 C ATOM 521 OE1 GLU A 34 -7.341 -16.431 -9.485 1.00 0.00 O ATOM 522 OE2 GLU A 34 -5.274 -16.795 -10.051 1.00 0.00 O ATOM 0 H GLU A 34 -3.472 -13.630 -7.953 1.00 0.00 H new ATOM 0 HA GLU A 34 -5.559 -11.742 -8.429 1.00 0.00 H new ATOM 0 HB2 GLU A 34 -6.821 -13.622 -9.171 1.00 0.00 H new ATOM 0 HB3 GLU A 34 -5.189 -13.734 -9.800 1.00 0.00 H new ATOM 0 HG2 GLU A 34 -4.637 -15.409 -8.060 1.00 0.00 H new ATOM 0 HG3 GLU A 34 -6.273 -15.301 -7.441 1.00 0.00 H new ATOM 529 N GLU A 35 -5.787 -13.640 -5.732 1.00 0.00 N ATOM 530 CA GLU A 35 -6.385 -13.810 -4.379 1.00 0.00 C ATOM 531 C GLU A 35 -6.433 -12.439 -3.725 1.00 0.00 C ATOM 532 O GLU A 35 -7.502 -11.879 -3.390 1.00 0.00 O ATOM 533 CB GLU A 35 -5.381 -14.697 -3.541 1.00 0.00 C ATOM 534 CG GLU A 35 -5.787 -15.024 -2.113 1.00 0.00 C ATOM 535 CD GLU A 35 -6.893 -16.024 -2.029 1.00 0.00 C ATOM 536 OE1 GLU A 35 -6.683 -17.179 -2.448 1.00 0.00 O ATOM 537 OE2 GLU A 35 -7.985 -15.694 -1.544 1.00 0.00 O ATOM 0 H GLU A 35 -5.055 -14.323 -5.925 1.00 0.00 H new ATOM 0 HA GLU A 35 -7.377 -14.259 -4.430 1.00 0.00 H new ATOM 0 HB2 GLU A 35 -5.229 -15.635 -4.075 1.00 0.00 H new ATOM 0 HB3 GLU A 35 -4.418 -14.187 -3.513 1.00 0.00 H new ATOM 0 HG2 GLU A 35 -4.920 -15.405 -1.574 1.00 0.00 H new ATOM 0 HG3 GLU A 35 -6.096 -14.107 -1.611 1.00 0.00 H new ATOM 544 N ILE A 36 -5.268 -11.912 -3.656 1.00 0.00 N ATOM 545 CA ILE A 36 -4.948 -10.699 -3.049 1.00 0.00 C ATOM 546 C ILE A 36 -5.500 -9.484 -3.787 1.00 0.00 C ATOM 547 O ILE A 36 -6.051 -8.647 -3.160 1.00 0.00 O ATOM 548 CB ILE A 36 -3.433 -10.664 -2.905 1.00 0.00 C ATOM 549 CG1 ILE A 36 -2.985 -11.433 -1.645 1.00 0.00 C ATOM 550 CG2 ILE A 36 -2.831 -9.296 -3.010 1.00 0.00 C ATOM 551 CD1 ILE A 36 -1.526 -11.723 -1.641 1.00 0.00 C ATOM 0 H ILE A 36 -4.451 -12.368 -4.062 1.00 0.00 H new ATOM 0 HA ILE A 36 -5.426 -10.639 -2.071 1.00 0.00 H new ATOM 0 HB ILE A 36 -3.030 -11.185 -3.773 1.00 0.00 H new ATOM 0 HG12 ILE A 36 -3.238 -10.851 -0.759 1.00 0.00 H new ATOM 0 HG13 ILE A 36 -3.538 -12.370 -1.580 1.00 0.00 H new ATOM 0 HG21 ILE A 36 -1.749 -9.365 -2.896 1.00 0.00 H new ATOM 0 HG22 ILE A 36 -3.067 -8.869 -3.985 1.00 0.00 H new ATOM 0 HG23 ILE A 36 -3.239 -8.658 -2.226 1.00 0.00 H new ATOM 0 HD11 ILE A 36 -1.265 -12.265 -0.732 1.00 0.00 H new ATOM 0 HD12 ILE A 36 -1.273 -12.330 -2.511 1.00 0.00 H new ATOM 0 HD13 ILE A 36 -0.969 -10.787 -1.677 1.00 0.00 H new ATOM 563 N THR A 37 -5.415 -9.402 -5.111 1.00 0.00 N ATOM 564 CA THR A 37 -5.853 -8.169 -5.755 1.00 0.00 C ATOM 565 C THR A 37 -7.340 -7.982 -5.624 1.00 0.00 C ATOM 566 O THR A 37 -7.808 -6.873 -5.283 1.00 0.00 O ATOM 567 CB THR A 37 -5.423 -8.035 -7.224 1.00 0.00 C ATOM 568 OG1 THR A 37 -5.725 -9.247 -7.941 1.00 0.00 O ATOM 569 CG2 THR A 37 -3.930 -7.679 -7.349 1.00 0.00 C ATOM 0 H THR A 37 -5.066 -10.132 -5.732 1.00 0.00 H new ATOM 0 HA THR A 37 -5.340 -7.372 -5.217 1.00 0.00 H new ATOM 0 HB THR A 37 -5.987 -7.215 -7.667 1.00 0.00 H new ATOM 0 HG1 THR A 37 -4.936 -9.829 -7.947 1.00 0.00 H new ATOM 0 HG21 THR A 37 -3.663 -7.593 -8.402 1.00 0.00 H new ATOM 0 HG22 THR A 37 -3.739 -6.730 -6.848 1.00 0.00 H new ATOM 0 HG23 THR A 37 -3.329 -8.462 -6.886 1.00 0.00 H new ATOM 577 N SER A 38 -8.075 -9.072 -5.810 1.00 0.00 N ATOM 578 CA SER A 38 -9.494 -9.025 -5.686 1.00 0.00 C ATOM 579 C SER A 38 -9.886 -8.726 -4.240 1.00 0.00 C ATOM 580 O SER A 38 -10.550 -7.705 -3.969 1.00 0.00 O ATOM 581 CB SER A 38 -10.127 -10.317 -6.217 1.00 0.00 C ATOM 582 OG SER A 38 -9.536 -11.475 -5.628 1.00 0.00 O ATOM 0 H SER A 38 -7.696 -9.989 -6.046 1.00 0.00 H new ATOM 0 HA SER A 38 -9.884 -8.213 -6.299 1.00 0.00 H new ATOM 0 HB2 SER A 38 -11.197 -10.310 -6.010 1.00 0.00 H new ATOM 0 HB3 SER A 38 -10.012 -10.360 -7.300 1.00 0.00 H new ATOM 0 HG SER A 38 -8.800 -11.790 -6.193 1.00 0.00 H new ATOM 588 N LEU A 39 -9.403 -9.552 -3.296 1.00 0.00 N ATOM 589 CA LEU A 39 -9.719 -9.360 -1.888 1.00 0.00 C ATOM 590 C LEU A 39 -9.229 -8.000 -1.369 1.00 0.00 C ATOM 591 O LEU A 39 -10.005 -7.264 -0.749 1.00 0.00 O ATOM 592 CB LEU A 39 -9.215 -10.539 -1.011 1.00 0.00 C ATOM 593 CG LEU A 39 -9.359 -10.385 0.511 1.00 0.00 C ATOM 594 CD1 LEU A 39 -10.822 -10.314 0.922 1.00 0.00 C ATOM 595 CD2 LEU A 39 -8.648 -11.522 1.231 1.00 0.00 C ATOM 0 H LEU A 39 -8.798 -10.350 -3.490 1.00 0.00 H new ATOM 0 HA LEU A 39 -10.806 -9.353 -1.806 1.00 0.00 H new ATOM 0 HB2 LEU A 39 -9.750 -11.439 -1.313 1.00 0.00 H new ATOM 0 HB3 LEU A 39 -8.161 -10.704 -1.237 1.00 0.00 H new ATOM 0 HG LEU A 39 -8.889 -9.446 0.801 1.00 0.00 H new ATOM 0 HD11 LEU A 39 -10.891 -10.205 2.004 1.00 0.00 H new ATOM 0 HD12 LEU A 39 -11.294 -9.458 0.440 1.00 0.00 H new ATOM 0 HD13 LEU A 39 -11.331 -11.228 0.616 1.00 0.00 H new ATOM 0 HD21 LEU A 39 -8.760 -11.397 2.308 1.00 0.00 H new ATOM 0 HD22 LEU A 39 -9.085 -12.474 0.929 1.00 0.00 H new ATOM 0 HD23 LEU A 39 -7.589 -11.510 0.973 1.00 0.00 H new ATOM 607 N TRP A 40 -7.988 -7.628 -1.687 1.00 0.00 N ATOM 608 CA TRP A 40 -7.422 -6.395 -1.195 1.00 0.00 C ATOM 609 C TRP A 40 -8.093 -5.207 -1.804 1.00 0.00 C ATOM 610 O TRP A 40 -8.865 -4.566 -1.133 1.00 0.00 O ATOM 611 CB TRP A 40 -5.890 -6.286 -1.369 1.00 0.00 C ATOM 612 CG TRP A 40 -5.070 -7.276 -0.572 1.00 0.00 C ATOM 613 CD1 TRP A 40 -5.527 -8.261 0.257 1.00 0.00 C ATOM 614 CD2 TRP A 40 -3.636 -7.367 -0.543 1.00 0.00 C ATOM 615 NE1 TRP A 40 -4.472 -8.957 0.790 1.00 0.00 N ATOM 616 CE2 TRP A 40 -3.300 -8.430 0.324 1.00 0.00 C ATOM 617 CE3 TRP A 40 -2.599 -6.655 -1.172 1.00 0.00 C ATOM 618 CZ2 TRP A 40 -1.970 -8.799 0.585 1.00 0.00 C ATOM 619 CZ3 TRP A 40 -1.279 -7.025 -0.912 1.00 0.00 C ATOM 620 CH2 TRP A 40 -0.976 -8.086 -0.037 1.00 0.00 C ATOM 0 H TRP A 40 -7.364 -8.171 -2.284 1.00 0.00 H new ATOM 0 HA TRP A 40 -7.609 -6.409 -0.121 1.00 0.00 H new ATOM 0 HB2 TRP A 40 -5.652 -6.412 -2.425 1.00 0.00 H new ATOM 0 HB3 TRP A 40 -5.581 -5.278 -1.091 1.00 0.00 H new ATOM 0 HD1 TRP A 40 -6.568 -8.462 0.463 1.00 0.00 H new ATOM 0 HE1 TRP A 40 -4.550 -9.745 1.433 1.00 0.00 H new ATOM 0 HE3 TRP A 40 -2.820 -5.838 -1.843 1.00 0.00 H new ATOM 0 HZ2 TRP A 40 -1.738 -9.616 1.252 1.00 0.00 H new ATOM 0 HZ3 TRP A 40 -0.474 -6.487 -1.391 1.00 0.00 H new ATOM 0 HH2 TRP A 40 0.057 -8.343 0.148 1.00 0.00 H new ATOM 631 N GLN A 41 -7.896 -4.934 -3.108 1.00 0.00 N ATOM 632 CA GLN A 41 -8.405 -3.674 -3.624 1.00 0.00 C ATOM 633 C GLN A 41 -9.929 -3.650 -3.669 1.00 0.00 C ATOM 634 O GLN A 41 -10.547 -2.559 -3.612 1.00 0.00 O ATOM 635 CB GLN A 41 -7.681 -3.145 -4.917 1.00 0.00 C ATOM 636 CG GLN A 41 -8.083 -3.691 -6.286 1.00 0.00 C ATOM 637 CD GLN A 41 -9.200 -2.856 -6.906 1.00 0.00 C ATOM 638 OE1 GLN A 41 -10.376 -3.141 -6.717 1.00 0.00 O ATOM 639 NE2 GLN A 41 -8.838 -1.799 -7.626 1.00 0.00 N ATOM 0 H GLN A 41 -7.417 -5.535 -3.779 1.00 0.00 H new ATOM 0 HA GLN A 41 -8.126 -2.915 -2.893 1.00 0.00 H new ATOM 0 HB2 GLN A 41 -7.814 -2.064 -4.946 1.00 0.00 H new ATOM 0 HB3 GLN A 41 -6.614 -3.331 -4.792 1.00 0.00 H new ATOM 0 HG2 GLN A 41 -7.217 -3.694 -6.948 1.00 0.00 H new ATOM 0 HG3 GLN A 41 -8.411 -4.726 -6.186 1.00 0.00 H new ATOM 0 HE21 GLN A 41 -7.849 -1.590 -7.764 1.00 0.00 H new ATOM 0 HE22 GLN A 41 -9.549 -1.197 -8.041 1.00 0.00 H new ATOM 648 N GLY A 42 -10.533 -4.849 -3.688 1.00 0.00 N ATOM 649 CA GLY A 42 -11.952 -4.963 -3.578 1.00 0.00 C ATOM 650 C GLY A 42 -12.428 -4.440 -2.239 1.00 0.00 C ATOM 651 O GLY A 42 -13.292 -3.562 -2.193 1.00 0.00 O ATOM 0 H GLY A 42 -10.041 -5.738 -3.779 1.00 0.00 H new ATOM 0 HA2 GLY A 42 -12.430 -4.405 -4.383 1.00 0.00 H new ATOM 0 HA3 GLY A 42 -12.248 -6.006 -3.693 1.00 0.00 H new ATOM 655 N SER A 43 -11.823 -4.920 -1.144 1.00 0.00 N ATOM 656 CA SER A 43 -12.185 -4.433 0.179 1.00 0.00 C ATOM 657 C SER A 43 -11.749 -2.973 0.353 1.00 0.00 C ATOM 658 O SER A 43 -12.435 -2.179 1.008 1.00 0.00 O ATOM 659 CB SER A 43 -11.608 -5.332 1.292 1.00 0.00 C ATOM 660 OG SER A 43 -10.200 -5.462 1.190 1.00 0.00 O ATOM 0 H SER A 43 -11.094 -5.633 -1.154 1.00 0.00 H new ATOM 0 HA SER A 43 -13.271 -4.474 0.268 1.00 0.00 H new ATOM 0 HB2 SER A 43 -11.864 -4.914 2.266 1.00 0.00 H new ATOM 0 HB3 SER A 43 -12.069 -6.318 1.237 1.00 0.00 H new ATOM 0 HG SER A 43 -9.983 -6.172 0.550 1.00 0.00 H new ATOM 666 N LEU A 44 -10.628 -2.614 -0.293 1.00 0.00 N ATOM 667 CA LEU A 44 -10.105 -1.259 -0.238 1.00 0.00 C ATOM 668 C LEU A 44 -11.126 -0.247 -0.809 1.00 0.00 C ATOM 669 O LEU A 44 -11.212 0.902 -0.339 1.00 0.00 O ATOM 670 CB LEU A 44 -8.717 -1.117 -0.932 1.00 0.00 C ATOM 671 CG LEU A 44 -7.596 -2.108 -0.541 1.00 0.00 C ATOM 672 CD1 LEU A 44 -6.210 -1.769 -1.220 1.00 0.00 C ATOM 673 CD2 LEU A 44 -7.502 -2.251 0.982 1.00 0.00 C ATOM 0 H LEU A 44 -10.071 -3.254 -0.859 1.00 0.00 H new ATOM 0 HA LEU A 44 -9.945 -1.028 0.815 1.00 0.00 H new ATOM 0 HB2 LEU A 44 -8.873 -1.200 -2.008 1.00 0.00 H new ATOM 0 HB3 LEU A 44 -8.351 -0.108 -0.740 1.00 0.00 H new ATOM 0 HG LEU A 44 -7.870 -3.085 -0.940 1.00 0.00 H new ATOM 0 HD11 LEU A 44 -5.463 -2.499 -0.907 1.00 0.00 H new ATOM 0 HD12 LEU A 44 -6.318 -1.802 -2.304 1.00 0.00 H new ATOM 0 HD13 LEU A 44 -5.891 -0.772 -0.917 1.00 0.00 H new ATOM 0 HD21 LEU A 44 -6.707 -2.953 1.233 1.00 0.00 H new ATOM 0 HD22 LEU A 44 -7.282 -1.280 1.426 1.00 0.00 H new ATOM 0 HD23 LEU A 44 -8.450 -2.622 1.372 1.00 0.00 H new ATOM 685 N PHE A 45 -11.909 -0.666 -1.809 1.00 0.00 N ATOM 686 CA PHE A 45 -12.959 0.202 -2.333 1.00 0.00 C ATOM 687 C PHE A 45 -14.282 -0.033 -1.599 1.00 0.00 C ATOM 688 O PHE A 45 -15.082 0.889 -1.435 1.00 0.00 O ATOM 689 CB PHE A 45 -13.148 0.018 -3.838 1.00 0.00 C ATOM 690 CG PHE A 45 -14.163 0.947 -4.450 1.00 0.00 C ATOM 691 CD1 PHE A 45 -13.883 2.295 -4.591 1.00 0.00 C ATOM 692 CD2 PHE A 45 -15.395 0.475 -4.875 1.00 0.00 C ATOM 693 CE1 PHE A 45 -14.809 3.154 -5.145 1.00 0.00 C ATOM 694 CE2 PHE A 45 -16.326 1.330 -5.429 1.00 0.00 C ATOM 695 CZ PHE A 45 -16.031 2.673 -5.565 1.00 0.00 C ATOM 0 H PHE A 45 -11.837 -1.578 -2.260 1.00 0.00 H new ATOM 0 HA PHE A 45 -12.641 1.230 -2.159 1.00 0.00 H new ATOM 0 HB2 PHE A 45 -12.189 0.168 -4.334 1.00 0.00 H new ATOM 0 HB3 PHE A 45 -13.450 -1.011 -4.032 1.00 0.00 H new ATOM 0 HD1 PHE A 45 -12.928 2.679 -4.263 1.00 0.00 H new ATOM 0 HD2 PHE A 45 -15.629 -0.574 -4.771 1.00 0.00 H new ATOM 0 HE1 PHE A 45 -14.577 4.204 -5.250 1.00 0.00 H new ATOM 0 HE2 PHE A 45 -17.283 0.950 -5.755 1.00 0.00 H new ATOM 0 HZ PHE A 45 -16.756 3.345 -6.000 1.00 0.00 H new ATOM 705 N ASN A 46 -14.497 -1.251 -1.128 1.00 0.00 N ATOM 706 CA ASN A 46 -15.745 -1.601 -0.442 1.00 0.00 C ATOM 707 C ASN A 46 -15.894 -0.855 0.880 1.00 0.00 C ATOM 708 O ASN A 46 -16.996 -0.490 1.271 1.00 0.00 O ATOM 709 CB ASN A 46 -15.903 -3.135 -0.270 1.00 0.00 C ATOM 710 CG ASN A 46 -17.189 -3.521 0.451 1.00 0.00 C ATOM 711 OD1 ASN A 46 -18.243 -3.658 -0.173 1.00 0.00 O ATOM 712 ND2 ASN A 46 -17.110 -3.741 1.736 1.00 0.00 N ATOM 0 H ASN A 46 -13.829 -2.018 -1.205 1.00 0.00 H new ATOM 0 HA ASN A 46 -16.564 -1.273 -1.083 1.00 0.00 H new ATOM 0 HB2 ASN A 46 -15.886 -3.609 -1.251 1.00 0.00 H new ATOM 0 HB3 ASN A 46 -15.050 -3.523 0.286 1.00 0.00 H new ATOM 0 HD21 ASN A 46 -17.937 -4.036 2.255 1.00 0.00 H new ATOM 0 HD22 ASN A 46 -16.221 -3.618 2.221 1.00 0.00 H new ATOM 719 N ALA A 47 -14.780 -0.591 1.542 1.00 0.00 N ATOM 720 CA ALA A 47 -14.796 0.174 2.775 1.00 0.00 C ATOM 721 C ALA A 47 -14.501 1.650 2.475 1.00 0.00 C ATOM 722 O ALA A 47 -14.429 2.483 3.378 1.00 0.00 O ATOM 723 CB ALA A 47 -13.782 -0.395 3.750 1.00 0.00 C ATOM 0 H ALA A 47 -13.853 -0.896 1.245 1.00 0.00 H new ATOM 0 HA ALA A 47 -15.784 0.107 3.231 1.00 0.00 H new ATOM 0 HB1 ALA A 47 -13.800 0.184 4.673 1.00 0.00 H new ATOM 0 HB2 ALA A 47 -14.031 -1.434 3.969 1.00 0.00 H new ATOM 0 HB3 ALA A 47 -12.786 -0.345 3.310 1.00 0.00 H new ATOM 729 N ASN A 48 -14.334 1.937 1.179 1.00 0.00 N ATOM 730 CA ASN A 48 -14.068 3.271 0.625 1.00 0.00 C ATOM 731 C ASN A 48 -12.907 4.010 1.361 1.00 0.00 C ATOM 732 O ASN A 48 -13.126 5.032 2.018 1.00 0.00 O ATOM 733 CB ASN A 48 -15.369 4.135 0.627 1.00 0.00 C ATOM 734 CG ASN A 48 -15.228 5.465 -0.136 1.00 0.00 C ATOM 735 OD1 ASN A 48 -15.426 5.524 -1.356 1.00 0.00 O ATOM 736 ND2 ASN A 48 -14.911 6.526 0.567 1.00 0.00 N ATOM 0 H ASN A 48 -14.382 1.218 0.458 1.00 0.00 H new ATOM 0 HA ASN A 48 -13.741 3.127 -0.405 1.00 0.00 H new ATOM 0 HB2 ASN A 48 -16.180 3.556 0.185 1.00 0.00 H new ATOM 0 HB3 ASN A 48 -15.653 4.346 1.658 1.00 0.00 H new ATOM 0 HD21 ASN A 48 -14.821 7.433 0.109 1.00 0.00 H new ATOM 0 HD22 ASN A 48 -14.754 6.444 1.572 1.00 0.00 H new ATOM 743 N TYR A 49 -11.688 3.449 1.359 1.00 0.00 N ATOM 744 CA TYR A 49 -10.542 4.174 1.945 1.00 0.00 C ATOM 745 C TYR A 49 -9.969 5.387 1.105 1.00 0.00 C ATOM 746 O TYR A 49 -8.910 5.911 1.456 1.00 0.00 O ATOM 747 CB TYR A 49 -9.440 3.199 2.233 1.00 0.00 C ATOM 748 CG TYR A 49 -9.337 2.737 3.634 1.00 0.00 C ATOM 749 CD1 TYR A 49 -8.926 3.596 4.639 1.00 0.00 C ATOM 750 CD2 TYR A 49 -9.578 1.423 3.941 1.00 0.00 C ATOM 751 CE1 TYR A 49 -8.768 3.145 5.928 1.00 0.00 C ATOM 752 CE2 TYR A 49 -9.413 0.942 5.213 1.00 0.00 C ATOM 753 CZ TYR A 49 -9.005 1.809 6.218 1.00 0.00 C ATOM 754 OH TYR A 49 -8.821 1.339 7.511 1.00 0.00 O ATOM 0 H TYR A 49 -11.470 2.530 0.974 1.00 0.00 H new ATOM 0 HA TYR A 49 -10.937 4.635 2.850 1.00 0.00 H new ATOM 0 HB2 TYR A 49 -9.575 2.328 1.592 1.00 0.00 H new ATOM 0 HB3 TYR A 49 -8.492 3.658 1.951 1.00 0.00 H new ATOM 0 HD1 TYR A 49 -8.727 4.632 4.408 1.00 0.00 H new ATOM 0 HD2 TYR A 49 -9.906 0.751 3.162 1.00 0.00 H new ATOM 0 HE1 TYR A 49 -8.462 3.825 6.709 1.00 0.00 H new ATOM 0 HE2 TYR A 49 -9.598 -0.099 5.432 1.00 0.00 H new ATOM 0 HH TYR A 49 -9.031 0.382 7.544 1.00 0.00 H new ATOM 764 N ASP A 50 -10.692 5.849 0.066 1.00 0.00 N ATOM 765 CA ASP A 50 -10.262 6.928 -0.852 1.00 0.00 C ATOM 766 C ASP A 50 -8.857 6.700 -1.405 1.00 0.00 C ATOM 767 O ASP A 50 -7.886 7.386 -1.033 1.00 0.00 O ATOM 768 CB ASP A 50 -10.444 8.342 -0.257 1.00 0.00 C ATOM 769 CG ASP A 50 -10.171 9.446 -1.265 1.00 0.00 C ATOM 770 OD1 ASP A 50 -10.678 9.357 -2.407 1.00 0.00 O ATOM 771 OD2 ASP A 50 -9.451 10.426 -0.936 1.00 0.00 O ATOM 0 H ASP A 50 -11.612 5.475 -0.166 1.00 0.00 H new ATOM 0 HA ASP A 50 -10.940 6.879 -1.704 1.00 0.00 H new ATOM 0 HB2 ASP A 50 -11.462 8.444 0.120 1.00 0.00 H new ATOM 0 HB3 ASP A 50 -9.775 8.461 0.595 1.00 0.00 H new ATOM 776 N VAL A 51 -8.749 5.662 -2.220 1.00 0.00 N ATOM 777 CA VAL A 51 -7.493 5.229 -2.822 1.00 0.00 C ATOM 778 C VAL A 51 -7.720 4.641 -4.215 1.00 0.00 C ATOM 779 O VAL A 51 -8.852 4.437 -4.641 1.00 0.00 O ATOM 780 CB VAL A 51 -6.773 4.163 -1.948 1.00 0.00 C ATOM 781 CG1 VAL A 51 -5.900 4.779 -0.906 1.00 0.00 C ATOM 782 CG2 VAL A 51 -7.776 3.328 -1.256 1.00 0.00 C ATOM 0 H VAL A 51 -9.546 5.085 -2.488 1.00 0.00 H new ATOM 0 HA VAL A 51 -6.865 6.117 -2.895 1.00 0.00 H new ATOM 0 HB VAL A 51 -6.153 3.570 -2.621 1.00 0.00 H new ATOM 0 HG11 VAL A 51 -5.420 3.993 -0.323 1.00 0.00 H new ATOM 0 HG12 VAL A 51 -5.137 5.392 -1.386 1.00 0.00 H new ATOM 0 HG13 VAL A 51 -6.504 5.402 -0.247 1.00 0.00 H new ATOM 0 HG21 VAL A 51 -7.269 2.582 -0.644 1.00 0.00 H new ATOM 0 HG22 VAL A 51 -8.397 3.958 -0.619 1.00 0.00 H new ATOM 0 HG23 VAL A 51 -8.403 2.827 -1.993 1.00 0.00 H new ATOM 792 N GLN A 52 -6.640 4.335 -4.877 1.00 0.00 N ATOM 793 CA GLN A 52 -6.619 3.759 -6.230 1.00 0.00 C ATOM 794 C GLN A 52 -5.684 2.581 -6.161 1.00 0.00 C ATOM 795 O GLN A 52 -4.546 2.726 -5.840 1.00 0.00 O ATOM 796 CB GLN A 52 -6.060 4.837 -7.135 1.00 0.00 C ATOM 797 CG GLN A 52 -5.984 4.541 -8.607 1.00 0.00 C ATOM 798 CD GLN A 52 -5.225 5.643 -9.326 1.00 0.00 C ATOM 799 OE1 GLN A 52 -4.583 5.408 -10.348 1.00 0.00 O ATOM 800 NE2 GLN A 52 -5.258 6.839 -8.779 1.00 0.00 N ATOM 0 H GLN A 52 -5.706 4.478 -4.492 1.00 0.00 H new ATOM 0 HA GLN A 52 -7.594 3.438 -6.598 1.00 0.00 H new ATOM 0 HB2 GLN A 52 -6.666 5.733 -7.004 1.00 0.00 H new ATOM 0 HB3 GLN A 52 -5.055 5.078 -6.789 1.00 0.00 H new ATOM 0 HG2 GLN A 52 -5.488 3.584 -8.768 1.00 0.00 H new ATOM 0 HG3 GLN A 52 -6.989 4.453 -9.020 1.00 0.00 H new ATOM 0 HE21 GLN A 52 -5.802 6.997 -7.931 1.00 0.00 H new ATOM 0 HE22 GLN A 52 -4.740 7.608 -9.203 1.00 0.00 H new ATOM 809 N ARG A 53 -6.166 1.422 -6.407 1.00 0.00 N ATOM 810 CA ARG A 53 -5.370 0.251 -6.150 1.00 0.00 C ATOM 811 C ARG A 53 -5.344 -0.611 -7.384 1.00 0.00 C ATOM 812 O ARG A 53 -6.357 -0.745 -8.060 1.00 0.00 O ATOM 813 CB ARG A 53 -5.876 -0.526 -4.911 1.00 0.00 C ATOM 814 CG ARG A 53 -6.097 0.283 -3.645 1.00 0.00 C ATOM 815 CD ARG A 53 -7.354 1.069 -3.711 1.00 0.00 C ATOM 816 NE ARG A 53 -8.523 0.233 -4.067 1.00 0.00 N ATOM 817 CZ ARG A 53 -9.539 0.617 -4.881 1.00 0.00 C ATOM 818 NH1 ARG A 53 -9.717 1.892 -5.201 1.00 0.00 N ATOM 819 NH2 ARG A 53 -10.417 -0.284 -5.300 1.00 0.00 N ATOM 0 H ARG A 53 -7.097 1.244 -6.783 1.00 0.00 H new ATOM 0 HA ARG A 53 -4.351 0.559 -5.917 1.00 0.00 H new ATOM 0 HB2 ARG A 53 -6.816 -1.011 -5.174 1.00 0.00 H new ATOM 0 HB3 ARG A 53 -5.160 -1.317 -4.689 1.00 0.00 H new ATOM 0 HG2 ARG A 53 -6.131 -0.387 -2.786 1.00 0.00 H new ATOM 0 HG3 ARG A 53 -5.254 0.956 -3.491 1.00 0.00 H new ATOM 0 HD2 ARG A 53 -7.532 1.547 -2.747 1.00 0.00 H new ATOM 0 HD3 ARG A 53 -7.243 1.866 -4.446 1.00 0.00 H new ATOM 0 HE ARG A 53 -8.568 -0.705 -3.669 1.00 0.00 H new ATOM 0 HH11 ARG A 53 -9.085 2.603 -4.834 1.00 0.00 H new ATOM 0 HH12 ARG A 53 -10.486 2.161 -5.814 1.00 0.00 H new ATOM 0 HH21 ARG A 53 -10.326 -1.258 -5.010 1.00 0.00 H new ATOM 0 HH22 ARG A 53 -11.183 -0.003 -5.912 1.00 0.00 H new ATOM 833 N PHE A 54 -4.214 -1.197 -7.672 1.00 0.00 N ATOM 834 CA PHE A 54 -4.022 -1.846 -8.971 1.00 0.00 C ATOM 835 C PHE A 54 -3.415 -3.202 -8.911 1.00 0.00 C ATOM 836 O PHE A 54 -2.663 -3.537 -7.972 1.00 0.00 O ATOM 837 CB PHE A 54 -3.153 -0.996 -9.906 1.00 0.00 C ATOM 838 CG PHE A 54 -3.878 0.015 -10.731 1.00 0.00 C ATOM 839 CD1 PHE A 54 -4.095 1.296 -10.272 1.00 0.00 C ATOM 840 CD2 PHE A 54 -4.317 -0.322 -11.999 1.00 0.00 C ATOM 841 CE1 PHE A 54 -4.738 2.221 -11.060 1.00 0.00 C ATOM 842 CE2 PHE A 54 -4.963 0.596 -12.790 1.00 0.00 C ATOM 843 CZ PHE A 54 -5.173 1.870 -12.321 1.00 0.00 C ATOM 0 H PHE A 54 -3.412 -1.247 -7.044 1.00 0.00 H new ATOM 0 HA PHE A 54 -5.038 -1.949 -9.353 1.00 0.00 H new ATOM 0 HB2 PHE A 54 -2.406 -0.478 -9.305 1.00 0.00 H new ATOM 0 HB3 PHE A 54 -2.614 -1.665 -10.577 1.00 0.00 H new ATOM 0 HD1 PHE A 54 -3.757 1.576 -9.285 1.00 0.00 H new ATOM 0 HD2 PHE A 54 -4.149 -1.322 -12.372 1.00 0.00 H new ATOM 0 HE1 PHE A 54 -4.903 3.223 -10.692 1.00 0.00 H new ATOM 0 HE2 PHE A 54 -5.304 0.318 -13.776 1.00 0.00 H new ATOM 0 HZ PHE A 54 -5.679 2.597 -12.940 1.00 0.00 H new ATOM 853 N ILE A 55 -3.766 -3.984 -9.916 1.00 0.00 N ATOM 854 CA ILE A 55 -3.113 -5.224 -10.206 1.00 0.00 C ATOM 855 C ILE A 55 -2.042 -4.877 -11.217 1.00 0.00 C ATOM 856 O ILE A 55 -2.331 -4.709 -12.411 1.00 0.00 O ATOM 857 CB ILE A 55 -4.044 -6.252 -10.890 1.00 0.00 C ATOM 858 CG1 ILE A 55 -5.368 -6.386 -10.149 1.00 0.00 C ATOM 859 CG2 ILE A 55 -3.338 -7.610 -10.995 1.00 0.00 C ATOM 860 CD1 ILE A 55 -6.296 -7.410 -10.747 1.00 0.00 C ATOM 0 H ILE A 55 -4.527 -3.761 -10.558 1.00 0.00 H new ATOM 0 HA ILE A 55 -2.754 -5.665 -9.276 1.00 0.00 H new ATOM 0 HB ILE A 55 -4.269 -5.892 -11.894 1.00 0.00 H new ATOM 0 HG12 ILE A 55 -5.168 -6.652 -9.111 1.00 0.00 H new ATOM 0 HG13 ILE A 55 -5.868 -5.418 -10.139 1.00 0.00 H new ATOM 0 HG21 ILE A 55 -4.001 -8.328 -11.478 1.00 0.00 H new ATOM 0 HG22 ILE A 55 -2.428 -7.502 -11.585 1.00 0.00 H new ATOM 0 HG23 ILE A 55 -3.083 -7.966 -9.997 1.00 0.00 H new ATOM 0 HD11 ILE A 55 -7.218 -7.449 -10.166 1.00 0.00 H new ATOM 0 HD12 ILE A 55 -6.527 -7.135 -11.776 1.00 0.00 H new ATOM 0 HD13 ILE A 55 -5.816 -8.389 -10.732 1.00 0.00 H new ATOM 872 N VAL A 56 -0.858 -4.682 -10.754 1.00 0.00 N ATOM 873 CA VAL A 56 0.217 -4.333 -11.610 1.00 0.00 C ATOM 874 C VAL A 56 0.947 -5.552 -12.105 1.00 0.00 C ATOM 875 O VAL A 56 1.435 -5.555 -13.238 1.00 0.00 O ATOM 876 CB VAL A 56 1.170 -3.272 -10.994 1.00 0.00 C ATOM 877 CG1 VAL A 56 0.492 -1.908 -10.994 1.00 0.00 C ATOM 878 CG2 VAL A 56 1.546 -3.647 -9.575 1.00 0.00 C ATOM 0 H VAL A 56 -0.608 -4.760 -9.768 1.00 0.00 H new ATOM 0 HA VAL A 56 -0.225 -3.849 -12.481 1.00 0.00 H new ATOM 0 HB VAL A 56 2.076 -3.233 -11.598 1.00 0.00 H new ATOM 0 HG11 VAL A 56 1.164 -1.167 -10.561 1.00 0.00 H new ATOM 0 HG12 VAL A 56 0.249 -1.623 -12.017 1.00 0.00 H new ATOM 0 HG13 VAL A 56 -0.423 -1.956 -10.404 1.00 0.00 H new ATOM 0 HG21 VAL A 56 2.214 -2.890 -9.163 1.00 0.00 H new ATOM 0 HG22 VAL A 56 0.645 -3.707 -8.964 1.00 0.00 H new ATOM 0 HG23 VAL A 56 2.050 -4.614 -9.575 1.00 0.00 H new ATOM 888 N GLY A 57 0.997 -6.615 -11.309 1.00 0.00 N ATOM 889 CA GLY A 57 1.618 -7.813 -11.846 1.00 0.00 C ATOM 890 C GLY A 57 1.626 -8.970 -10.907 1.00 0.00 C ATOM 891 O GLY A 57 1.236 -8.849 -9.768 1.00 0.00 O ATOM 0 H GLY A 57 0.641 -6.673 -10.355 1.00 0.00 H new ATOM 0 HA2 GLY A 57 1.095 -8.103 -12.757 1.00 0.00 H new ATOM 0 HA3 GLY A 57 2.645 -7.581 -12.128 1.00 0.00 H new ATOM 895 N SER A 58 2.057 -10.095 -11.391 1.00 0.00 N ATOM 896 CA SER A 58 2.203 -11.265 -10.574 1.00 0.00 C ATOM 897 C SER A 58 3.310 -10.988 -9.575 1.00 0.00 C ATOM 898 O SER A 58 4.416 -10.662 -10.006 1.00 0.00 O ATOM 899 CB SER A 58 2.582 -12.438 -11.464 1.00 0.00 C ATOM 900 OG SER A 58 1.620 -12.619 -12.498 1.00 0.00 O ATOM 0 H SER A 58 2.319 -10.230 -12.368 1.00 0.00 H new ATOM 0 HA SER A 58 1.277 -11.504 -10.050 1.00 0.00 H new ATOM 0 HB2 SER A 58 3.565 -12.265 -11.902 1.00 0.00 H new ATOM 0 HB3 SER A 58 2.655 -13.346 -10.865 1.00 0.00 H new ATOM 0 HG SER A 58 1.883 -13.377 -13.060 1.00 0.00 H new ATOM 906 N ASP A 59 2.988 -11.020 -8.251 1.00 0.00 N ATOM 907 CA ASP A 59 3.954 -10.739 -7.185 1.00 0.00 C ATOM 908 C ASP A 59 4.021 -9.204 -6.950 1.00 0.00 C ATOM 909 O ASP A 59 4.802 -8.703 -6.162 1.00 0.00 O ATOM 910 CB ASP A 59 5.346 -11.492 -7.454 1.00 0.00 C ATOM 911 CG ASP A 59 6.638 -10.958 -6.794 1.00 0.00 C ATOM 912 OD1 ASP A 59 7.209 -9.947 -7.273 1.00 0.00 O ATOM 913 OD2 ASP A 59 7.182 -11.639 -5.873 1.00 0.00 O ATOM 0 H ASP A 59 2.053 -11.242 -7.909 1.00 0.00 H new ATOM 0 HA ASP A 59 3.632 -11.158 -6.232 1.00 0.00 H new ATOM 0 HB2 ASP A 59 5.223 -12.529 -7.140 1.00 0.00 H new ATOM 0 HB3 ASP A 59 5.509 -11.502 -8.532 1.00 0.00 H new ATOM 918 N ARG A 60 3.068 -8.465 -7.606 1.00 0.00 N ATOM 919 CA ARG A 60 2.975 -6.991 -7.504 1.00 0.00 C ATOM 920 C ARG A 60 1.494 -6.470 -7.419 1.00 0.00 C ATOM 921 O ARG A 60 0.660 -6.742 -8.300 1.00 0.00 O ATOM 922 CB ARG A 60 3.615 -6.289 -8.698 1.00 0.00 C ATOM 923 CG ARG A 60 5.105 -6.450 -8.912 1.00 0.00 C ATOM 924 CD ARG A 60 5.442 -7.732 -9.659 1.00 0.00 C ATOM 925 NE ARG A 60 6.801 -7.714 -10.221 1.00 0.00 N ATOM 926 CZ ARG A 60 7.505 -8.792 -10.585 1.00 0.00 C ATOM 927 NH1 ARG A 60 6.987 -10.006 -10.450 1.00 0.00 N ATOM 928 NH2 ARG A 60 8.717 -8.650 -11.120 1.00 0.00 N ATOM 0 H ARG A 60 2.358 -8.880 -8.209 1.00 0.00 H new ATOM 0 HA ARG A 60 3.506 -6.755 -6.582 1.00 0.00 H new ATOM 0 HB2 ARG A 60 3.110 -6.638 -9.599 1.00 0.00 H new ATOM 0 HB3 ARG A 60 3.405 -5.223 -8.608 1.00 0.00 H new ATOM 0 HG2 ARG A 60 5.485 -5.595 -9.471 1.00 0.00 H new ATOM 0 HG3 ARG A 60 5.611 -6.450 -7.947 1.00 0.00 H new ATOM 0 HD2 ARG A 60 5.343 -8.580 -8.982 1.00 0.00 H new ATOM 0 HD3 ARG A 60 4.721 -7.881 -10.463 1.00 0.00 H new ATOM 0 HE ARG A 60 7.244 -6.803 -10.344 1.00 0.00 H new ATOM 0 HH11 ARG A 60 6.048 -10.120 -10.067 1.00 0.00 H new ATOM 0 HH12 ARG A 60 7.527 -10.825 -10.729 1.00 0.00 H new ATOM 0 HH21 ARG A 60 9.110 -7.718 -11.253 1.00 0.00 H new ATOM 0 HH22 ARG A 60 9.252 -9.473 -11.397 1.00 0.00 H new ATOM 942 N ALA A 61 1.245 -5.597 -6.463 1.00 0.00 N ATOM 943 CA ALA A 61 -0.084 -5.040 -6.174 1.00 0.00 C ATOM 944 C ALA A 61 0.121 -3.568 -5.855 1.00 0.00 C ATOM 945 O ALA A 61 1.288 -3.156 -5.692 1.00 0.00 O ATOM 946 CB ALA A 61 -0.649 -5.741 -4.935 1.00 0.00 C ATOM 0 H ALA A 61 1.972 -5.239 -5.844 1.00 0.00 H new ATOM 0 HA ALA A 61 -0.767 -5.174 -7.012 1.00 0.00 H new ATOM 0 HB1 ALA A 61 -1.636 -5.338 -4.707 1.00 0.00 H new ATOM 0 HB2 ALA A 61 -0.729 -6.811 -5.127 1.00 0.00 H new ATOM 0 HB3 ALA A 61 0.016 -5.573 -4.087 1.00 0.00 H new ATOM 952 N ILE A 62 -0.933 -2.728 -5.826 1.00 0.00 N ATOM 953 CA ILE A 62 -0.719 -1.379 -5.308 1.00 0.00 C ATOM 954 C ILE A 62 -1.905 -0.937 -4.554 1.00 0.00 C ATOM 955 O ILE A 62 -3.041 -1.403 -4.839 1.00 0.00 O ATOM 956 CB ILE A 62 -0.507 -0.218 -6.373 1.00 0.00 C ATOM 957 CG1 ILE A 62 -1.861 0.465 -6.739 1.00 0.00 C ATOM 958 CG2 ILE A 62 0.195 -0.695 -7.617 1.00 0.00 C ATOM 959 CD1 ILE A 62 -1.732 1.701 -7.600 1.00 0.00 C ATOM 0 H ILE A 62 -1.880 -2.946 -6.135 1.00 0.00 H new ATOM 0 HA ILE A 62 0.199 -1.499 -4.733 1.00 0.00 H new ATOM 0 HB ILE A 62 0.141 0.520 -5.900 1.00 0.00 H new ATOM 0 HG12 ILE A 62 -2.489 -0.259 -7.258 1.00 0.00 H new ATOM 0 HG13 ILE A 62 -2.378 0.733 -5.818 1.00 0.00 H new ATOM 0 HG21 ILE A 62 0.314 0.138 -8.310 1.00 0.00 H new ATOM 0 HG22 ILE A 62 1.176 -1.090 -7.353 1.00 0.00 H new ATOM 0 HG23 ILE A 62 -0.396 -1.479 -8.090 1.00 0.00 H new ATOM 0 HD11 ILE A 62 -2.723 2.108 -7.804 1.00 0.00 H new ATOM 0 HD12 ILE A 62 -1.134 2.448 -7.078 1.00 0.00 H new ATOM 0 HD13 ILE A 62 -1.246 1.440 -8.540 1.00 0.00 H new ATOM 971 N PHE A 63 -1.652 0.013 -3.680 1.00 0.00 N ATOM 972 CA PHE A 63 -2.670 0.837 -3.111 1.00 0.00 C ATOM 973 C PHE A 63 -2.157 2.274 -3.134 1.00 0.00 C ATOM 974 O PHE A 63 -1.209 2.633 -2.450 1.00 0.00 O ATOM 975 CB PHE A 63 -3.230 0.366 -1.731 1.00 0.00 C ATOM 976 CG PHE A 63 -2.302 0.373 -0.567 1.00 0.00 C ATOM 977 CD1 PHE A 63 -1.128 -0.336 -0.602 1.00 0.00 C ATOM 978 CD2 PHE A 63 -2.624 1.073 0.595 1.00 0.00 C ATOM 979 CE1 PHE A 63 -0.303 -0.352 0.475 1.00 0.00 C ATOM 980 CE2 PHE A 63 -1.785 1.050 1.653 1.00 0.00 C ATOM 981 CZ PHE A 63 -0.631 0.343 1.601 1.00 0.00 C ATOM 0 H PHE A 63 -0.713 0.230 -3.346 1.00 0.00 H new ATOM 0 HA PHE A 63 -3.569 0.755 -3.722 1.00 0.00 H new ATOM 0 HB2 PHE A 63 -4.084 0.997 -1.483 1.00 0.00 H new ATOM 0 HB3 PHE A 63 -3.608 -0.649 -1.852 1.00 0.00 H new ATOM 0 HD1 PHE A 63 -0.859 -0.885 -1.492 1.00 0.00 H new ATOM 0 HD2 PHE A 63 -3.545 1.634 0.649 1.00 0.00 H new ATOM 0 HE1 PHE A 63 0.617 -0.917 0.440 1.00 0.00 H new ATOM 0 HE2 PHE A 63 -2.036 1.600 2.548 1.00 0.00 H new ATOM 0 HZ PHE A 63 0.031 0.330 2.454 1.00 0.00 H new ATOM 991 N MET A 64 -2.682 3.029 -4.041 1.00 0.00 N ATOM 992 CA MET A 64 -2.270 4.430 -4.236 1.00 0.00 C ATOM 993 C MET A 64 -3.058 5.362 -3.338 1.00 0.00 C ATOM 994 O MET A 64 -4.277 5.478 -3.468 1.00 0.00 O ATOM 995 CB MET A 64 -2.371 4.835 -5.723 1.00 0.00 C ATOM 996 CG MET A 64 -2.004 6.279 -6.045 1.00 0.00 C ATOM 997 SD MET A 64 -1.867 6.559 -7.820 1.00 0.00 S ATOM 998 CE MET A 64 -1.381 8.280 -7.856 1.00 0.00 C ATOM 0 H MET A 64 -3.411 2.717 -4.682 1.00 0.00 H new ATOM 0 HA MET A 64 -1.223 4.519 -3.948 1.00 0.00 H new ATOM 0 HB2 MET A 64 -1.724 4.178 -6.304 1.00 0.00 H new ATOM 0 HB3 MET A 64 -3.392 4.656 -6.060 1.00 0.00 H new ATOM 0 HG2 MET A 64 -2.759 6.947 -5.630 1.00 0.00 H new ATOM 0 HG3 MET A 64 -1.058 6.529 -5.564 1.00 0.00 H new ATOM 0 HE1 MET A 64 -1.257 8.601 -8.890 1.00 0.00 H new ATOM 0 HE2 MET A 64 -2.151 8.886 -7.378 1.00 0.00 H new ATOM 0 HE3 MET A 64 -0.439 8.403 -7.322 1.00 0.00 H new ATOM 1008 N LEU A 65 -2.334 6.007 -2.449 1.00 0.00 N ATOM 1009 CA LEU A 65 -2.842 6.883 -1.401 1.00 0.00 C ATOM 1010 C LEU A 65 -3.110 8.273 -1.901 1.00 0.00 C ATOM 1011 O LEU A 65 -2.341 8.821 -2.729 1.00 0.00 O ATOM 1012 CB LEU A 65 -1.829 7.126 -0.308 1.00 0.00 C ATOM 1013 CG LEU A 65 -1.290 6.045 0.581 1.00 0.00 C ATOM 1014 CD1 LEU A 65 -0.550 4.939 -0.167 1.00 0.00 C ATOM 1015 CD2 LEU A 65 -0.364 6.741 1.547 1.00 0.00 C ATOM 0 H LEU A 65 -1.317 5.934 -2.432 1.00 0.00 H new ATOM 0 HA LEU A 65 -3.736 6.367 -1.052 1.00 0.00 H new ATOM 0 HB2 LEU A 65 -0.965 7.587 -0.788 1.00 0.00 H new ATOM 0 HB3 LEU A 65 -2.265 7.876 0.352 1.00 0.00 H new ATOM 0 HG LEU A 65 -2.116 5.534 1.075 1.00 0.00 H new ATOM 0 HD11 LEU A 65 -0.191 4.196 0.545 1.00 0.00 H new ATOM 0 HD12 LEU A 65 -1.227 4.464 -0.877 1.00 0.00 H new ATOM 0 HD13 LEU A 65 0.297 5.366 -0.704 1.00 0.00 H new ATOM 0 HD21 LEU A 65 0.067 6.009 2.229 1.00 0.00 H new ATOM 0 HD22 LEU A 65 0.434 7.236 0.994 1.00 0.00 H new ATOM 0 HD23 LEU A 65 -0.924 7.483 2.117 1.00 0.00 H new ATOM 1027 N ARG A 66 -4.132 8.872 -1.349 1.00 0.00 N ATOM 1028 CA ARG A 66 -4.460 10.258 -1.651 1.00 0.00 C ATOM 1029 C ARG A 66 -4.214 11.293 -0.473 1.00 0.00 C ATOM 1030 O ARG A 66 -3.396 12.194 -0.646 1.00 0.00 O ATOM 1031 CB ARG A 66 -5.827 10.401 -2.368 1.00 0.00 C ATOM 1032 CG ARG A 66 -6.231 11.828 -2.690 1.00 0.00 C ATOM 1033 CD ARG A 66 -7.560 11.861 -3.418 1.00 0.00 C ATOM 1034 NE ARG A 66 -7.930 13.219 -3.834 1.00 0.00 N ATOM 1035 CZ ARG A 66 -8.930 13.522 -4.674 1.00 0.00 C ATOM 1036 NH1 ARG A 66 -9.712 12.566 -5.180 1.00 0.00 N ATOM 1037 NH2 ARG A 66 -9.134 14.789 -5.007 1.00 0.00 N ATOM 0 H ARG A 66 -4.761 8.426 -0.682 1.00 0.00 H new ATOM 0 HA ARG A 66 -3.710 10.568 -2.379 1.00 0.00 H new ATOM 0 HB2 ARG A 66 -5.797 9.829 -3.295 1.00 0.00 H new ATOM 0 HB3 ARG A 66 -6.598 9.952 -1.742 1.00 0.00 H new ATOM 0 HG2 ARG A 66 -6.301 12.407 -1.769 1.00 0.00 H new ATOM 0 HG3 ARG A 66 -5.463 12.298 -3.304 1.00 0.00 H new ATOM 0 HD2 ARG A 66 -7.508 11.216 -4.295 1.00 0.00 H new ATOM 0 HD3 ARG A 66 -8.338 11.457 -2.770 1.00 0.00 H new ATOM 0 HE ARG A 66 -7.384 13.992 -3.455 1.00 0.00 H new ATOM 0 HH11 ARG A 66 -9.552 11.590 -4.929 1.00 0.00 H new ATOM 0 HH12 ARG A 66 -10.469 12.811 -5.818 1.00 0.00 H new ATOM 0 HH21 ARG A 66 -8.534 15.520 -4.625 1.00 0.00 H new ATOM 0 HH22 ARG A 66 -9.891 15.033 -5.645 1.00 0.00 H new ATOM 1051 N ASP A 67 -4.896 11.176 0.710 1.00 0.00 N ATOM 1052 CA ASP A 67 -4.728 12.182 1.846 1.00 0.00 C ATOM 1053 C ASP A 67 -3.249 12.396 2.400 1.00 0.00 C ATOM 1054 O ASP A 67 -3.019 13.339 3.158 1.00 0.00 O ATOM 1055 CB ASP A 67 -5.640 11.793 3.034 1.00 0.00 C ATOM 1056 CG ASP A 67 -5.992 12.967 3.960 1.00 0.00 C ATOM 1057 OD1 ASP A 67 -6.874 13.786 3.603 1.00 0.00 O ATOM 1058 OD2 ASP A 67 -5.411 13.086 5.060 1.00 0.00 O ATOM 0 H ASP A 67 -5.553 10.422 0.913 1.00 0.00 H new ATOM 0 HA ASP A 67 -5.008 13.132 1.391 1.00 0.00 H new ATOM 0 HB2 ASP A 67 -6.562 11.361 2.645 1.00 0.00 H new ATOM 0 HB3 ASP A 67 -5.146 11.017 3.619 1.00 0.00 H new ATOM 1063 N GLY A 68 -2.261 11.543 2.018 1.00 0.00 N ATOM 1064 CA GLY A 68 -0.919 11.592 2.594 1.00 0.00 C ATOM 1065 C GLY A 68 -0.877 11.451 4.099 1.00 0.00 C ATOM 1066 O GLY A 68 0.017 11.995 4.733 1.00 0.00 O ATOM 0 H GLY A 68 -2.384 10.818 1.312 1.00 0.00 H new ATOM 0 HA2 GLY A 68 -0.318 10.798 2.150 1.00 0.00 H new ATOM 0 HA3 GLY A 68 -0.453 12.538 2.317 1.00 0.00 H new ATOM 1070 N SER A 69 -1.857 10.791 4.685 1.00 0.00 N ATOM 1071 CA SER A 69 -1.886 10.685 6.148 1.00 0.00 C ATOM 1072 C SER A 69 -2.397 9.315 6.662 1.00 0.00 C ATOM 1073 O SER A 69 -3.029 9.259 7.733 1.00 0.00 O ATOM 1074 CB SER A 69 -2.832 11.766 6.634 1.00 0.00 C ATOM 1075 OG SER A 69 -2.473 13.035 6.112 1.00 0.00 O ATOM 0 H SER A 69 -2.625 10.330 4.198 1.00 0.00 H new ATOM 0 HA SER A 69 -0.869 10.793 6.524 1.00 0.00 H new ATOM 0 HB2 SER A 69 -3.851 11.522 6.335 1.00 0.00 H new ATOM 0 HB3 SER A 69 -2.819 11.801 7.723 1.00 0.00 H new ATOM 0 HG SER A 69 -2.762 13.098 5.178 1.00 0.00 H new ATOM 1081 N TYR A 70 -2.028 8.213 6.006 1.00 0.00 N ATOM 1082 CA TYR A 70 -2.666 6.931 6.264 1.00 0.00 C ATOM 1083 C TYR A 70 -1.966 5.911 5.330 1.00 0.00 C ATOM 1084 O TYR A 70 -0.993 6.317 4.699 1.00 0.00 O ATOM 1085 CB TYR A 70 -4.206 7.109 5.943 1.00 0.00 C ATOM 1086 CG TYR A 70 -4.577 7.196 4.469 1.00 0.00 C ATOM 1087 CD1 TYR A 70 -4.018 8.148 3.629 1.00 0.00 C ATOM 1088 CD2 TYR A 70 -5.490 6.321 3.937 1.00 0.00 C ATOM 1089 CE1 TYR A 70 -4.354 8.212 2.309 1.00 0.00 C ATOM 1090 CE2 TYR A 70 -5.841 6.372 2.605 1.00 0.00 C ATOM 1091 CZ TYR A 70 -5.258 7.329 1.797 1.00 0.00 C ATOM 1092 OH TYR A 70 -5.572 7.406 0.474 1.00 0.00 O ATOM 0 H TYR A 70 -1.295 8.187 5.297 1.00 0.00 H new ATOM 0 HA TYR A 70 -2.579 6.580 7.292 1.00 0.00 H new ATOM 0 HB2 TYR A 70 -4.747 6.272 6.384 1.00 0.00 H new ATOM 0 HB3 TYR A 70 -4.558 8.013 6.439 1.00 0.00 H new ATOM 0 HD1 TYR A 70 -3.303 8.852 4.028 1.00 0.00 H new ATOM 0 HD2 TYR A 70 -5.943 5.577 4.575 1.00 0.00 H new ATOM 0 HE1 TYR A 70 -3.906 8.959 1.671 1.00 0.00 H new ATOM 0 HE2 TYR A 70 -6.560 5.675 2.200 1.00 0.00 H new ATOM 0 HH TYR A 70 -6.546 7.440 0.370 1.00 0.00 H new ATOM 1102 N ALA A 71 -2.417 4.612 5.295 1.00 0.00 N ATOM 1103 CA ALA A 71 -1.965 3.540 4.364 1.00 0.00 C ATOM 1104 C ALA A 71 -0.923 2.594 4.932 1.00 0.00 C ATOM 1105 O ALA A 71 -0.897 1.409 4.592 1.00 0.00 O ATOM 1106 CB ALA A 71 -1.551 4.043 3.012 1.00 0.00 C ATOM 0 H ALA A 71 -3.132 4.280 5.943 1.00 0.00 H new ATOM 0 HA ALA A 71 -2.870 2.948 4.229 1.00 0.00 H new ATOM 0 HB1 ALA A 71 -1.235 3.204 2.392 1.00 0.00 H new ATOM 0 HB2 ALA A 71 -2.393 4.547 2.538 1.00 0.00 H new ATOM 0 HB3 ALA A 71 -0.724 4.744 3.122 1.00 0.00 H new ATOM 1112 N TRP A 72 -0.100 3.066 5.806 1.00 0.00 N ATOM 1113 CA TRP A 72 0.937 2.221 6.341 1.00 0.00 C ATOM 1114 C TRP A 72 0.365 1.141 7.294 1.00 0.00 C ATOM 1115 O TRP A 72 0.843 -0.042 7.334 1.00 0.00 O ATOM 1116 CB TRP A 72 2.159 3.053 6.839 1.00 0.00 C ATOM 1117 CG TRP A 72 3.022 3.456 5.645 1.00 0.00 C ATOM 1118 CD1 TRP A 72 4.034 2.722 5.141 1.00 0.00 C ATOM 1119 CD2 TRP A 72 2.918 4.634 4.766 1.00 0.00 C ATOM 1120 NE1 TRP A 72 4.553 3.313 4.029 1.00 0.00 N ATOM 1121 CE2 TRP A 72 3.884 4.480 3.756 1.00 0.00 C ATOM 1122 CE3 TRP A 72 2.117 5.771 4.724 1.00 0.00 C ATOM 1123 CZ2 TRP A 72 4.042 5.432 2.694 1.00 0.00 C ATOM 1124 CZ3 TRP A 72 2.292 6.684 3.698 1.00 0.00 C ATOM 1125 CH2 TRP A 72 3.239 6.489 2.694 1.00 0.00 C ATOM 0 H TRP A 72 -0.116 4.020 6.168 1.00 0.00 H new ATOM 0 HA TRP A 72 1.371 1.620 5.542 1.00 0.00 H new ATOM 0 HB2 TRP A 72 1.816 3.941 7.369 1.00 0.00 H new ATOM 0 HB3 TRP A 72 2.747 2.467 7.545 1.00 0.00 H new ATOM 0 HD1 TRP A 72 4.386 1.792 5.562 1.00 0.00 H new ATOM 0 HE1 TRP A 72 5.327 2.942 3.478 1.00 0.00 H new ATOM 0 HE3 TRP A 72 1.367 5.939 5.483 1.00 0.00 H new ATOM 0 HZ2 TRP A 72 4.786 5.294 1.924 1.00 0.00 H new ATOM 0 HZ3 TRP A 72 1.678 7.572 3.675 1.00 0.00 H new ATOM 0 HH2 TRP A 72 3.321 7.214 1.898 1.00 0.00 H new ATOM 1136 N GLU A 73 -0.740 1.496 7.949 1.00 0.00 N ATOM 1137 CA GLU A 73 -1.499 0.545 8.744 1.00 0.00 C ATOM 1138 C GLU A 73 -2.104 -0.509 7.797 1.00 0.00 C ATOM 1139 O GLU A 73 -2.109 -1.737 8.106 1.00 0.00 O ATOM 1140 CB GLU A 73 -2.604 1.260 9.523 1.00 0.00 C ATOM 1141 CG GLU A 73 -3.459 0.337 10.366 1.00 0.00 C ATOM 1142 CD GLU A 73 -4.546 1.063 11.093 1.00 0.00 C ATOM 1143 OE1 GLU A 73 -5.616 1.315 10.505 1.00 0.00 O ATOM 1144 OE2 GLU A 73 -4.354 1.408 12.270 1.00 0.00 O ATOM 0 H GLU A 73 -1.126 2.440 7.941 1.00 0.00 H new ATOM 0 HA GLU A 73 -0.842 0.060 9.466 1.00 0.00 H new ATOM 0 HB2 GLU A 73 -2.151 2.011 10.170 1.00 0.00 H new ATOM 0 HB3 GLU A 73 -3.245 1.791 8.819 1.00 0.00 H new ATOM 0 HG2 GLU A 73 -3.902 -0.427 9.727 1.00 0.00 H new ATOM 0 HG3 GLU A 73 -2.826 -0.180 11.088 1.00 0.00 H new ATOM 1151 N ILE A 74 -2.585 -0.028 6.625 1.00 0.00 N ATOM 1152 CA ILE A 74 -3.090 -0.906 5.585 1.00 0.00 C ATOM 1153 C ILE A 74 -2.006 -1.965 5.205 1.00 0.00 C ATOM 1154 O ILE A 74 -2.292 -3.181 5.128 1.00 0.00 O ATOM 1155 CB ILE A 74 -3.574 -0.154 4.271 1.00 0.00 C ATOM 1156 CG1 ILE A 74 -4.950 0.474 4.374 1.00 0.00 C ATOM 1157 CG2 ILE A 74 -3.628 -1.134 3.176 1.00 0.00 C ATOM 1158 CD1 ILE A 74 -5.202 1.537 3.350 1.00 0.00 C ATOM 0 H ILE A 74 -2.626 0.964 6.393 1.00 0.00 H new ATOM 0 HA ILE A 74 -3.973 -1.385 6.008 1.00 0.00 H new ATOM 0 HB ILE A 74 -2.861 0.654 4.104 1.00 0.00 H new ATOM 0 HG12 ILE A 74 -5.705 -0.306 4.270 1.00 0.00 H new ATOM 0 HG13 ILE A 74 -5.071 0.903 5.369 1.00 0.00 H new ATOM 0 HG21 ILE A 74 -3.958 -0.640 2.262 1.00 0.00 H new ATOM 0 HG22 ILE A 74 -2.637 -1.561 3.020 1.00 0.00 H new ATOM 0 HG23 ILE A 74 -4.329 -1.928 3.433 1.00 0.00 H new ATOM 0 HD11 ILE A 74 -6.205 1.941 3.484 1.00 0.00 H new ATOM 0 HD12 ILE A 74 -4.470 2.336 3.468 1.00 0.00 H new ATOM 0 HD13 ILE A 74 -5.114 1.109 2.352 1.00 0.00 H new ATOM 1170 N LYS A 75 -0.757 -1.492 5.024 1.00 0.00 N ATOM 1171 CA LYS A 75 0.356 -2.337 4.640 1.00 0.00 C ATOM 1172 C LYS A 75 0.560 -3.437 5.668 1.00 0.00 C ATOM 1173 O LYS A 75 0.773 -4.635 5.318 1.00 0.00 O ATOM 1174 CB LYS A 75 1.626 -1.455 4.418 1.00 0.00 C ATOM 1175 CG LYS A 75 2.959 -2.192 4.258 1.00 0.00 C ATOM 1176 CD LYS A 75 3.599 -2.502 5.613 1.00 0.00 C ATOM 1177 CE LYS A 75 4.853 -3.328 5.463 1.00 0.00 C ATOM 1178 NZ LYS A 75 5.505 -3.584 6.758 1.00 0.00 N ATOM 0 H LYS A 75 -0.507 -0.510 5.144 1.00 0.00 H new ATOM 0 HA LYS A 75 0.144 -2.838 3.695 1.00 0.00 H new ATOM 0 HB2 LYS A 75 1.465 -0.846 3.528 1.00 0.00 H new ATOM 0 HB3 LYS A 75 1.716 -0.770 5.261 1.00 0.00 H new ATOM 0 HG2 LYS A 75 2.798 -3.121 3.710 1.00 0.00 H new ATOM 0 HG3 LYS A 75 3.642 -1.585 3.663 1.00 0.00 H new ATOM 0 HD2 LYS A 75 3.837 -1.569 6.125 1.00 0.00 H new ATOM 0 HD3 LYS A 75 2.884 -3.036 6.239 1.00 0.00 H new ATOM 0 HE2 LYS A 75 4.607 -4.277 4.988 1.00 0.00 H new ATOM 0 HE3 LYS A 75 5.550 -2.812 4.802 1.00 0.00 H new ATOM 0 HZ1 LYS A 75 6.362 -4.154 6.609 1.00 0.00 H new ATOM 0 HZ2 LYS A 75 5.764 -2.679 7.201 1.00 0.00 H new ATOM 0 HZ3 LYS A 75 4.850 -4.099 7.380 1.00 0.00 H new ATOM 1192 N ASP A 76 0.471 -3.056 6.930 1.00 0.00 N ATOM 1193 CA ASP A 76 0.598 -4.035 8.003 1.00 0.00 C ATOM 1194 C ASP A 76 -0.489 -5.121 7.912 1.00 0.00 C ATOM 1195 O ASP A 76 -0.182 -6.353 8.049 1.00 0.00 O ATOM 1196 CB ASP A 76 0.578 -3.375 9.367 1.00 0.00 C ATOM 1197 CG ASP A 76 0.772 -4.381 10.467 1.00 0.00 C ATOM 1198 OD1 ASP A 76 1.921 -4.859 10.650 1.00 0.00 O ATOM 1199 OD2 ASP A 76 -0.216 -4.732 11.150 1.00 0.00 O ATOM 0 H ASP A 76 0.314 -2.096 7.237 1.00 0.00 H new ATOM 0 HA ASP A 76 1.567 -4.517 7.877 1.00 0.00 H new ATOM 0 HB2 ASP A 76 1.363 -2.621 9.419 1.00 0.00 H new ATOM 0 HB3 ASP A 76 -0.371 -2.858 9.508 1.00 0.00 H new ATOM 1204 N PHE A 77 -1.755 -4.697 7.627 1.00 0.00 N ATOM 1205 CA PHE A 77 -2.865 -5.680 7.479 1.00 0.00 C ATOM 1206 C PHE A 77 -2.469 -6.675 6.423 1.00 0.00 C ATOM 1207 O PHE A 77 -2.587 -7.863 6.600 1.00 0.00 O ATOM 1208 CB PHE A 77 -4.206 -5.097 6.972 1.00 0.00 C ATOM 1209 CG PHE A 77 -4.803 -3.921 7.674 1.00 0.00 C ATOM 1210 CD1 PHE A 77 -4.762 -3.805 9.049 1.00 0.00 C ATOM 1211 CD2 PHE A 77 -5.471 -2.938 6.931 1.00 0.00 C ATOM 1212 CE1 PHE A 77 -5.360 -2.736 9.680 1.00 0.00 C ATOM 1213 CE2 PHE A 77 -6.062 -1.870 7.564 1.00 0.00 C ATOM 1214 CZ PHE A 77 -6.008 -1.769 8.938 1.00 0.00 C ATOM 0 H PHE A 77 -2.024 -3.721 7.500 1.00 0.00 H new ATOM 0 HA PHE A 77 -3.018 -6.083 8.480 1.00 0.00 H new ATOM 0 HB2 PHE A 77 -4.069 -4.820 5.927 1.00 0.00 H new ATOM 0 HB3 PHE A 77 -4.942 -5.901 6.994 1.00 0.00 H new ATOM 0 HD1 PHE A 77 -4.257 -4.559 9.635 1.00 0.00 H new ATOM 0 HD2 PHE A 77 -5.522 -3.020 5.855 1.00 0.00 H new ATOM 0 HE1 PHE A 77 -5.322 -2.655 10.756 1.00 0.00 H new ATOM 0 HE2 PHE A 77 -6.568 -1.111 6.986 1.00 0.00 H new ATOM 0 HZ PHE A 77 -6.474 -0.931 9.435 1.00 0.00 H new ATOM 1224 N LEU A 78 -1.953 -6.158 5.337 1.00 0.00 N ATOM 1225 CA LEU A 78 -1.585 -6.966 4.202 1.00 0.00 C ATOM 1226 C LEU A 78 -0.578 -8.016 4.513 1.00 0.00 C ATOM 1227 O LEU A 78 -0.741 -9.189 4.104 1.00 0.00 O ATOM 1228 CB LEU A 78 -1.044 -6.147 3.113 1.00 0.00 C ATOM 1229 CG LEU A 78 -1.936 -5.118 2.535 1.00 0.00 C ATOM 1230 CD1 LEU A 78 -1.282 -4.716 1.297 1.00 0.00 C ATOM 1231 CD2 LEU A 78 -3.304 -5.675 2.258 1.00 0.00 C ATOM 0 H LEU A 78 -1.776 -5.161 5.215 1.00 0.00 H new ATOM 0 HA LEU A 78 -2.514 -7.452 3.904 1.00 0.00 H new ATOM 0 HB2 LEU A 78 -0.146 -5.649 3.479 1.00 0.00 H new ATOM 0 HB3 LEU A 78 -0.734 -6.815 2.310 1.00 0.00 H new ATOM 0 HG LEU A 78 -2.086 -4.281 3.217 1.00 0.00 H new ATOM 0 HD11 LEU A 78 -1.880 -3.951 0.801 1.00 0.00 H new ATOM 0 HD12 LEU A 78 -0.293 -4.315 1.521 1.00 0.00 H new ATOM 0 HD13 LEU A 78 -1.183 -5.581 0.641 1.00 0.00 H new ATOM 0 HD21 LEU A 78 -3.936 -4.894 1.834 1.00 0.00 H new ATOM 0 HD22 LEU A 78 -3.224 -6.501 1.551 1.00 0.00 H new ATOM 0 HD23 LEU A 78 -3.746 -6.034 3.188 1.00 0.00 H new ATOM 1243 N VAL A 79 0.478 -7.653 5.219 1.00 0.00 N ATOM 1244 CA VAL A 79 1.459 -8.669 5.519 1.00 0.00 C ATOM 1245 C VAL A 79 0.887 -9.658 6.526 1.00 0.00 C ATOM 1246 O VAL A 79 1.320 -10.804 6.597 1.00 0.00 O ATOM 1247 CB VAL A 79 2.842 -8.146 5.972 1.00 0.00 C ATOM 1248 CG1 VAL A 79 3.879 -9.215 5.674 1.00 0.00 C ATOM 1249 CG2 VAL A 79 3.186 -6.855 5.267 1.00 0.00 C ATOM 0 H VAL A 79 0.670 -6.717 5.576 1.00 0.00 H new ATOM 0 HA VAL A 79 1.663 -9.167 4.571 1.00 0.00 H new ATOM 0 HB VAL A 79 2.824 -7.936 7.041 1.00 0.00 H new ATOM 0 HG11 VAL A 79 4.863 -8.865 5.987 1.00 0.00 H new ATOM 0 HG12 VAL A 79 3.629 -10.126 6.217 1.00 0.00 H new ATOM 0 HG13 VAL A 79 3.891 -9.422 4.604 1.00 0.00 H new ATOM 0 HG21 VAL A 79 4.163 -6.507 5.602 1.00 0.00 H new ATOM 0 HG22 VAL A 79 3.210 -7.024 4.190 1.00 0.00 H new ATOM 0 HG23 VAL A 79 2.433 -6.102 5.499 1.00 0.00 H new ATOM 1259 N SER A 80 -0.143 -9.236 7.246 1.00 0.00 N ATOM 1260 CA SER A 80 -0.791 -10.120 8.148 1.00 0.00 C ATOM 1261 C SER A 80 -1.949 -10.841 7.401 1.00 0.00 C ATOM 1262 O SER A 80 -2.539 -11.799 7.928 1.00 0.00 O ATOM 1263 CB SER A 80 -1.310 -9.319 9.366 1.00 0.00 C ATOM 1264 OG SER A 80 -1.697 -10.163 10.447 1.00 0.00 O ATOM 0 H SER A 80 -0.530 -8.293 7.210 1.00 0.00 H new ATOM 0 HA SER A 80 -0.096 -10.875 8.515 1.00 0.00 H new ATOM 0 HB2 SER A 80 -0.533 -8.633 9.704 1.00 0.00 H new ATOM 0 HB3 SER A 80 -2.161 -8.710 9.061 1.00 0.00 H new ATOM 0 HG SER A 80 -2.117 -10.975 10.094 1.00 0.00 H new ATOM 1270 N GLN A 81 -2.250 -10.407 6.145 1.00 0.00 N ATOM 1271 CA GLN A 81 -3.361 -10.959 5.429 1.00 0.00 C ATOM 1272 C GLN A 81 -2.883 -12.166 4.685 1.00 0.00 C ATOM 1273 O GLN A 81 -3.571 -13.185 4.616 1.00 0.00 O ATOM 1274 CB GLN A 81 -3.937 -9.915 4.466 1.00 0.00 C ATOM 1275 CG GLN A 81 -5.314 -10.246 3.946 1.00 0.00 C ATOM 1276 CD GLN A 81 -6.324 -10.336 5.061 1.00 0.00 C ATOM 1277 OE1 GLN A 81 -6.552 -11.403 5.631 1.00 0.00 O ATOM 1278 NE2 GLN A 81 -6.903 -9.230 5.414 1.00 0.00 N ATOM 0 H GLN A 81 -1.730 -9.688 5.642 1.00 0.00 H new ATOM 0 HA GLN A 81 -4.154 -11.246 6.119 1.00 0.00 H new ATOM 0 HB2 GLN A 81 -3.975 -8.951 4.973 1.00 0.00 H new ATOM 0 HB3 GLN A 81 -3.259 -9.804 3.620 1.00 0.00 H new ATOM 0 HG2 GLN A 81 -5.627 -9.484 3.233 1.00 0.00 H new ATOM 0 HG3 GLN A 81 -5.282 -11.193 3.407 1.00 0.00 H new ATOM 0 HE21 GLN A 81 -6.691 -8.363 4.920 1.00 0.00 H new ATOM 0 HE22 GLN A 81 -7.570 -9.227 6.186 1.00 0.00 H new ATOM 1287 N ASP A 82 -1.676 -12.052 4.165 1.00 0.00 N ATOM 1288 CA ASP A 82 -1.032 -13.148 3.483 1.00 0.00 C ATOM 1289 C ASP A 82 0.517 -13.016 3.516 1.00 0.00 C ATOM 1290 O ASP A 82 1.105 -13.247 4.577 1.00 0.00 O ATOM 1291 CB ASP A 82 -1.686 -13.494 2.099 1.00 0.00 C ATOM 1292 CG ASP A 82 -0.919 -14.514 1.295 1.00 0.00 C ATOM 1293 OD1 ASP A 82 0.005 -14.136 0.558 1.00 0.00 O ATOM 1294 OD2 ASP A 82 -1.235 -15.735 1.398 1.00 0.00 O ATOM 0 H ASP A 82 -1.119 -11.198 4.205 1.00 0.00 H new ATOM 0 HA ASP A 82 -1.226 -14.059 4.049 1.00 0.00 H new ATOM 0 HB2 ASP A 82 -2.696 -13.866 2.269 1.00 0.00 H new ATOM 0 HB3 ASP A 82 -1.778 -12.579 1.513 1.00 0.00 H new ATOM 1299 N ARG A 83 1.196 -12.628 2.442 1.00 0.00 N ATOM 1300 CA ARG A 83 2.614 -12.433 2.526 1.00 0.00 C ATOM 1301 C ARG A 83 3.090 -11.256 1.681 1.00 0.00 C ATOM 1302 O ARG A 83 3.490 -11.409 0.535 1.00 0.00 O ATOM 1303 CB ARG A 83 3.400 -13.712 2.191 1.00 0.00 C ATOM 1304 CG ARG A 83 4.890 -13.539 2.362 1.00 0.00 C ATOM 1305 CD ARG A 83 5.208 -13.151 3.786 1.00 0.00 C ATOM 1306 NE ARG A 83 6.561 -12.643 3.932 1.00 0.00 N ATOM 1307 CZ ARG A 83 7.095 -12.242 5.091 1.00 0.00 C ATOM 1308 NH1 ARG A 83 6.374 -12.291 6.211 1.00 0.00 N ATOM 1309 NH2 ARG A 83 8.326 -11.749 5.119 1.00 0.00 N ATOM 0 H ARG A 83 0.785 -12.449 1.526 1.00 0.00 H new ATOM 0 HA ARG A 83 2.822 -12.187 3.567 1.00 0.00 H new ATOM 0 HB2 ARG A 83 3.056 -14.524 2.832 1.00 0.00 H new ATOM 0 HB3 ARG A 83 3.188 -14.006 1.163 1.00 0.00 H new ATOM 0 HG2 ARG A 83 5.403 -14.466 2.106 1.00 0.00 H new ATOM 0 HG3 ARG A 83 5.256 -12.773 1.678 1.00 0.00 H new ATOM 0 HD2 ARG A 83 4.500 -12.393 4.120 1.00 0.00 H new ATOM 0 HD3 ARG A 83 5.076 -14.017 4.434 1.00 0.00 H new ATOM 0 HE ARG A 83 7.142 -12.588 3.096 1.00 0.00 H new ATOM 0 HH11 ARG A 83 5.414 -12.635 6.185 1.00 0.00 H new ATOM 0 HH12 ARG A 83 6.782 -11.985 7.094 1.00 0.00 H new ATOM 0 HH21 ARG A 83 8.866 -11.676 4.257 1.00 0.00 H new ATOM 0 HH22 ARG A 83 8.733 -11.443 6.003 1.00 0.00 H new ATOM 1323 N CYS A 84 3.003 -10.096 2.247 1.00 0.00 N ATOM 1324 CA CYS A 84 3.483 -8.892 1.622 1.00 0.00 C ATOM 1325 C CYS A 84 4.974 -8.734 1.946 1.00 0.00 C ATOM 1326 O CYS A 84 5.457 -9.347 2.911 1.00 0.00 O ATOM 1327 CB CYS A 84 2.602 -7.720 2.061 1.00 0.00 C ATOM 1328 SG CYS A 84 3.234 -6.062 1.746 1.00 0.00 S ATOM 0 H CYS A 84 2.592 -9.949 3.169 1.00 0.00 H new ATOM 0 HA CYS A 84 3.410 -8.929 0.535 1.00 0.00 H new ATOM 0 HB2 CYS A 84 1.637 -7.816 1.563 1.00 0.00 H new ATOM 0 HB3 CYS A 84 2.419 -7.816 3.131 1.00 0.00 H new ATOM 0 HG CYS A 84 3.931 -5.662 2.768 1.00 0.00 H new ATOM 1334 N ALA A 85 5.707 -7.935 1.181 1.00 0.00 N ATOM 1335 CA ALA A 85 7.129 -7.980 1.281 1.00 0.00 C ATOM 1336 C ALA A 85 7.845 -6.708 0.869 1.00 0.00 C ATOM 1337 O ALA A 85 8.788 -6.295 1.548 1.00 0.00 O ATOM 1338 CB ALA A 85 7.622 -9.152 0.477 1.00 0.00 C ATOM 0 H ALA A 85 5.336 -7.268 0.504 1.00 0.00 H new ATOM 0 HA ALA A 85 7.367 -8.090 2.339 1.00 0.00 H new ATOM 0 HB1 ALA A 85 8.709 -9.205 0.540 1.00 0.00 H new ATOM 0 HB2 ALA A 85 7.190 -10.072 0.872 1.00 0.00 H new ATOM 0 HB3 ALA A 85 7.324 -9.030 -0.564 1.00 0.00 H new ATOM 1344 N GLU A 86 7.415 -6.046 -0.186 1.00 0.00 N ATOM 1345 CA GLU A 86 8.205 -4.931 -0.662 1.00 0.00 C ATOM 1346 C GLU A 86 7.360 -3.732 -0.764 1.00 0.00 C ATOM 1347 O GLU A 86 6.412 -3.697 -1.521 1.00 0.00 O ATOM 1348 CB GLU A 86 8.906 -5.250 -1.985 1.00 0.00 C ATOM 1349 CG GLU A 86 9.731 -4.110 -2.575 1.00 0.00 C ATOM 1350 CD GLU A 86 10.389 -4.496 -3.866 1.00 0.00 C ATOM 1351 OE1 GLU A 86 9.701 -4.592 -4.898 1.00 0.00 O ATOM 1352 OE2 GLU A 86 11.604 -4.734 -3.883 1.00 0.00 O ATOM 0 H GLU A 86 6.563 -6.247 -0.709 1.00 0.00 H new ATOM 0 HA GLU A 86 8.997 -4.736 0.061 1.00 0.00 H new ATOM 0 HB2 GLU A 86 9.559 -6.109 -1.833 1.00 0.00 H new ATOM 0 HB3 GLU A 86 8.153 -5.547 -2.714 1.00 0.00 H new ATOM 0 HG2 GLU A 86 9.087 -3.246 -2.741 1.00 0.00 H new ATOM 0 HG3 GLU A 86 10.493 -3.806 -1.857 1.00 0.00 H new ATOM 1359 N VAL A 87 7.697 -2.775 0.005 1.00 0.00 N ATOM 1360 CA VAL A 87 6.951 -1.585 0.111 1.00 0.00 C ATOM 1361 C VAL A 87 7.748 -0.449 -0.515 1.00 0.00 C ATOM 1362 O VAL A 87 8.693 0.067 0.107 1.00 0.00 O ATOM 1363 CB VAL A 87 6.682 -1.287 1.618 1.00 0.00 C ATOM 1364 CG1 VAL A 87 5.747 -0.123 1.816 1.00 0.00 C ATOM 1365 CG2 VAL A 87 6.146 -2.522 2.321 1.00 0.00 C ATOM 0 H VAL A 87 8.526 -2.797 0.598 1.00 0.00 H new ATOM 0 HA VAL A 87 5.998 -1.685 -0.408 1.00 0.00 H new ATOM 0 HB VAL A 87 7.638 -1.011 2.062 1.00 0.00 H new ATOM 0 HG11 VAL A 87 5.593 0.043 2.882 1.00 0.00 H new ATOM 0 HG12 VAL A 87 6.180 0.772 1.369 1.00 0.00 H new ATOM 0 HG13 VAL A 87 4.790 -0.340 1.340 1.00 0.00 H new ATOM 0 HG21 VAL A 87 5.965 -2.293 3.371 1.00 0.00 H new ATOM 0 HG22 VAL A 87 5.213 -2.832 1.851 1.00 0.00 H new ATOM 0 HG23 VAL A 87 6.875 -3.329 2.246 1.00 0.00 H new ATOM 1375 N THR A 88 7.444 -0.109 -1.756 1.00 0.00 N ATOM 1376 CA THR A 88 8.092 1.025 -2.370 1.00 0.00 C ATOM 1377 C THR A 88 7.138 2.144 -2.575 1.00 0.00 C ATOM 1378 O THR A 88 5.939 1.939 -2.908 1.00 0.00 O ATOM 1379 CB THR A 88 8.878 0.735 -3.626 1.00 0.00 C ATOM 1380 OG1 THR A 88 8.070 0.036 -4.602 1.00 0.00 O ATOM 1381 CG2 THR A 88 10.088 -0.071 -3.293 1.00 0.00 C ATOM 0 H THR A 88 6.766 -0.594 -2.344 1.00 0.00 H new ATOM 0 HA THR A 88 8.851 1.323 -1.646 1.00 0.00 H new ATOM 0 HB THR A 88 9.184 1.686 -4.062 1.00 0.00 H new ATOM 0 HG1 THR A 88 7.209 -0.206 -4.201 1.00 0.00 H new ATOM 0 HG21 THR A 88 10.650 -0.277 -4.204 1.00 0.00 H new ATOM 0 HG22 THR A 88 10.716 0.485 -2.597 1.00 0.00 H new ATOM 0 HG23 THR A 88 9.784 -1.012 -2.834 1.00 0.00 H new ATOM 1389 N LEU A 89 7.643 3.315 -2.381 1.00 0.00 N ATOM 1390 CA LEU A 89 6.834 4.456 -2.249 1.00 0.00 C ATOM 1391 C LEU A 89 7.233 5.531 -3.190 1.00 0.00 C ATOM 1392 O LEU A 89 8.368 5.618 -3.652 1.00 0.00 O ATOM 1393 CB LEU A 89 6.812 4.978 -0.784 1.00 0.00 C ATOM 1394 CG LEU A 89 6.165 4.085 0.274 1.00 0.00 C ATOM 1395 CD1 LEU A 89 4.788 3.765 -0.132 1.00 0.00 C ATOM 1396 CD2 LEU A 89 6.960 2.823 0.542 1.00 0.00 C ATOM 0 H LEU A 89 8.644 3.498 -2.310 1.00 0.00 H new ATOM 0 HA LEU A 89 5.820 4.153 -2.510 1.00 0.00 H new ATOM 0 HB2 LEU A 89 7.841 5.169 -0.479 1.00 0.00 H new ATOM 0 HB3 LEU A 89 6.294 5.937 -0.777 1.00 0.00 H new ATOM 0 HG LEU A 89 6.151 4.638 1.213 1.00 0.00 H new ATOM 0 HD11 LEU A 89 4.325 3.128 0.622 1.00 0.00 H new ATOM 0 HD12 LEU A 89 4.214 4.687 -0.230 1.00 0.00 H new ATOM 0 HD13 LEU A 89 4.803 3.243 -1.089 1.00 0.00 H new ATOM 0 HD21 LEU A 89 6.453 2.228 1.302 1.00 0.00 H new ATOM 0 HD22 LEU A 89 7.043 2.243 -0.377 1.00 0.00 H new ATOM 0 HD23 LEU A 89 7.956 3.089 0.895 1.00 0.00 H new