USER MOD reduce.3.24.130724 H: found=0, std=0, add=578, rem=0, adj=21 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 Single : A 16 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 17 THR OG1 : rot 46:sc= 0.158 USER MOD Single : A 19 MET CE :methyl 175:sc= 0 (180deg=-0.049) USER MOD Single : A 20 MET CE :methyl -120:sc= -5.58! (180deg=-10.6!) USER MOD Single : A 23 THR OG1 : rot 135:sc= 1.33 USER MOD Single : A 25 SER OG : rot -164:sc= -0.923! USER MOD Single : A 27 ASN : amide:sc= -0.606 K(o=-0.61,f=-6.6!) USER MOD Single : A 29 THR OG1 : rot 180:sc=-0.000885 USER MOD Single : A 31 LYS NZ :NH3+ 153:sc= 1.24 (180deg=1.02) USER MOD Single : A 33 THR OG1 : rot -126:sc= -0.237! USER MOD Single : A 37 THR OG1 : rot -86:sc= 1.26 USER MOD Single : A 38 SER OG : rot 77:sc= 0.988 USER MOD Single : A 41 GLN : amide:sc= 1.03 K(o=1,f=-0.31) USER MOD Single : A 43 SER OG : rot -90:sc= 1.27 USER MOD Single : A 46 ASN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 48 ASN : amide:sc= -0.343 X(o=-0.34,f=-0.72) USER MOD Single : A 49 TYR OH : rot 180:sc= 0 USER MOD Single : A 52 GLN :FLIP amide:sc= -0.201 F(o=-1.1,f=-0.2) USER MOD Single : A 58 SER OG : rot 180:sc= 0 USER MOD Single : A 64 MET CE :methyl 150:sc= -0.0116 (180deg=-0.697) USER MOD Single : A 69 SER OG : rot 180:sc= 0 USER MOD Single : A 70 TYR OH : rot -130:sc= -1.45! USER MOD Single : A 75 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 80 SER OG : rot 91:sc= 0.215 USER MOD Single : A 81 GLN :FLIP amide:sc= -0.0753 F(o=-1.4!,f=-0.075) USER MOD Single : A 84 CYS SG : rot 180:sc= 0 USER MOD Single : A 88 THR OG1 : rot 25:sc= 0.471 USER MOD ----------------------------------------------------------------- ATOM 233 N LYS A 16 -0.739 14.159 0.465 1.00 0.00 N ATOM 234 CA LYS A 16 0.081 13.482 -0.513 1.00 0.00 C ATOM 235 C LYS A 16 -0.650 12.305 -1.187 1.00 0.00 C ATOM 236 O LYS A 16 -1.291 11.493 -0.516 1.00 0.00 O ATOM 237 CB LYS A 16 1.393 13.034 0.149 1.00 0.00 C ATOM 238 CG LYS A 16 2.314 12.195 -0.715 1.00 0.00 C ATOM 239 CD LYS A 16 2.754 12.902 -1.992 1.00 0.00 C ATOM 240 CE LYS A 16 3.596 11.976 -2.860 1.00 0.00 C ATOM 241 NZ LYS A 16 3.963 12.588 -4.153 1.00 0.00 N ATOM 0 HA LYS A 16 0.306 14.185 -1.315 1.00 0.00 H new ATOM 0 HB2 LYS A 16 1.937 13.922 0.472 1.00 0.00 H new ATOM 0 HB3 LYS A 16 1.150 12.465 1.047 1.00 0.00 H new ATOM 0 HG2 LYS A 16 3.197 11.924 -0.136 1.00 0.00 H new ATOM 0 HG3 LYS A 16 1.808 11.266 -0.978 1.00 0.00 H new ATOM 0 HD2 LYS A 16 1.878 13.234 -2.550 1.00 0.00 H new ATOM 0 HD3 LYS A 16 3.328 13.794 -1.740 1.00 0.00 H new ATOM 0 HE2 LYS A 16 4.503 11.704 -2.321 1.00 0.00 H new ATOM 0 HE3 LYS A 16 3.044 11.054 -3.042 1.00 0.00 H new ATOM 0 HZ1 LYS A 16 4.535 11.917 -4.705 1.00 0.00 H new ATOM 0 HZ2 LYS A 16 3.100 12.824 -4.683 1.00 0.00 H new ATOM 0 HZ3 LYS A 16 4.513 13.454 -3.983 1.00 0.00 H new ATOM 255 N THR A 17 -0.549 12.241 -2.501 1.00 0.00 N ATOM 256 CA THR A 17 -1.058 11.141 -3.285 1.00 0.00 C ATOM 257 C THR A 17 0.121 10.301 -3.819 1.00 0.00 C ATOM 258 O THR A 17 0.895 10.755 -4.662 1.00 0.00 O ATOM 259 CB THR A 17 -1.933 11.659 -4.434 1.00 0.00 C ATOM 260 OG1 THR A 17 -1.246 12.717 -5.133 1.00 0.00 O ATOM 261 CG2 THR A 17 -3.259 12.177 -3.904 1.00 0.00 C ATOM 0 H THR A 17 -0.102 12.968 -3.060 1.00 0.00 H new ATOM 0 HA THR A 17 -1.682 10.507 -2.655 1.00 0.00 H new ATOM 0 HB THR A 17 -2.127 10.834 -5.120 1.00 0.00 H new ATOM 0 HG1 THR A 17 -0.317 12.452 -5.296 1.00 0.00 H new ATOM 0 HG21 THR A 17 -3.866 12.540 -4.734 1.00 0.00 H new ATOM 0 HG22 THR A 17 -3.787 11.371 -3.394 1.00 0.00 H new ATOM 0 HG23 THR A 17 -3.077 12.992 -3.203 1.00 0.00 H new ATOM 269 N LEU A 18 0.270 9.115 -3.301 1.00 0.00 N ATOM 270 CA LEU A 18 1.462 8.265 -3.585 1.00 0.00 C ATOM 271 C LEU A 18 0.993 6.802 -3.885 1.00 0.00 C ATOM 272 O LEU A 18 0.217 6.227 -3.125 1.00 0.00 O ATOM 273 CB LEU A 18 2.435 8.408 -2.328 1.00 0.00 C ATOM 274 CG LEU A 18 3.803 7.720 -2.240 1.00 0.00 C ATOM 275 CD1 LEU A 18 4.729 7.953 -3.381 1.00 0.00 C ATOM 276 CD2 LEU A 18 4.515 8.138 -0.998 1.00 0.00 C ATOM 0 H LEU A 18 -0.408 8.685 -2.671 1.00 0.00 H new ATOM 0 HA LEU A 18 2.014 8.575 -4.472 1.00 0.00 H new ATOM 0 HB2 LEU A 18 2.618 9.475 -2.200 1.00 0.00 H new ATOM 0 HB3 LEU A 18 1.867 8.076 -1.459 1.00 0.00 H new ATOM 0 HG LEU A 18 3.554 6.659 -2.250 1.00 0.00 H new ATOM 0 HD11 LEU A 18 5.662 7.417 -3.207 1.00 0.00 H new ATOM 0 HD12 LEU A 18 4.270 7.593 -4.302 1.00 0.00 H new ATOM 0 HD13 LEU A 18 4.934 9.020 -3.471 1.00 0.00 H new ATOM 0 HD21 LEU A 18 5.484 7.642 -0.950 1.00 0.00 H new ATOM 0 HD22 LEU A 18 4.661 9.218 -1.008 1.00 0.00 H new ATOM 0 HD23 LEU A 18 3.921 7.860 -0.127 1.00 0.00 H new ATOM 288 N MET A 19 1.369 6.257 -5.030 1.00 0.00 N ATOM 289 CA MET A 19 0.995 4.875 -5.387 1.00 0.00 C ATOM 290 C MET A 19 1.978 3.863 -4.808 1.00 0.00 C ATOM 291 O MET A 19 3.071 3.738 -5.305 1.00 0.00 O ATOM 292 CB MET A 19 0.880 4.677 -6.934 1.00 0.00 C ATOM 293 CG MET A 19 2.105 5.127 -7.740 1.00 0.00 C ATOM 294 SD MET A 19 2.143 4.532 -9.455 1.00 0.00 S ATOM 295 CE MET A 19 0.576 5.112 -10.093 1.00 0.00 C ATOM 0 H MET A 19 1.930 6.738 -5.733 1.00 0.00 H new ATOM 0 HA MET A 19 0.012 4.701 -4.949 1.00 0.00 H new ATOM 0 HB2 MET A 19 0.698 3.622 -7.137 1.00 0.00 H new ATOM 0 HB3 MET A 19 0.008 5.225 -7.291 1.00 0.00 H new ATOM 0 HG2 MET A 19 2.139 6.216 -7.747 1.00 0.00 H new ATOM 0 HG3 MET A 19 3.005 4.783 -7.230 1.00 0.00 H new ATOM 0 HE1 MET A 19 0.513 4.891 -11.159 1.00 0.00 H new ATOM 0 HE2 MET A 19 -0.238 4.611 -9.570 1.00 0.00 H new ATOM 0 HE3 MET A 19 0.497 6.188 -9.940 1.00 0.00 H new ATOM 305 N MET A 20 1.555 3.093 -3.811 1.00 0.00 N ATOM 306 CA MET A 20 2.451 2.119 -3.137 1.00 0.00 C ATOM 307 C MET A 20 2.532 0.814 -3.856 1.00 0.00 C ATOM 308 O MET A 20 1.511 0.170 -4.101 1.00 0.00 O ATOM 309 CB MET A 20 2.043 1.841 -1.692 1.00 0.00 C ATOM 310 CG MET A 20 2.546 2.837 -0.673 1.00 0.00 C ATOM 311 SD MET A 20 1.750 4.432 -0.805 1.00 0.00 S ATOM 312 CE MET A 20 0.209 3.951 -0.224 1.00 0.00 C ATOM 0 H MET A 20 0.604 3.113 -3.442 1.00 0.00 H new ATOM 0 HA MET A 20 3.429 2.599 -3.150 1.00 0.00 H new ATOM 0 HB2 MET A 20 0.955 1.811 -1.639 1.00 0.00 H new ATOM 0 HB3 MET A 20 2.403 0.850 -1.415 1.00 0.00 H new ATOM 0 HG2 MET A 20 2.384 2.438 0.328 1.00 0.00 H new ATOM 0 HG3 MET A 20 3.622 2.962 -0.796 1.00 0.00 H new ATOM 0 HE1 MET A 20 -0.543 4.134 -0.992 1.00 0.00 H new ATOM 0 HE2 MET A 20 0.227 2.889 0.020 1.00 0.00 H new ATOM 0 HE3 MET A 20 -0.038 4.524 0.670 1.00 0.00 H new ATOM 322 N PHE A 21 3.793 0.401 -4.091 1.00 0.00 N ATOM 323 CA PHE A 21 4.162 -0.711 -4.940 1.00 0.00 C ATOM 324 C PHE A 21 4.711 -1.829 -4.060 1.00 0.00 C ATOM 325 O PHE A 21 5.802 -1.720 -3.481 1.00 0.00 O ATOM 326 CB PHE A 21 5.207 -0.125 -5.883 1.00 0.00 C ATOM 327 CG PHE A 21 5.818 -0.957 -6.951 1.00 0.00 C ATOM 328 CD1 PHE A 21 6.949 -1.713 -6.699 1.00 0.00 C ATOM 329 CD2 PHE A 21 5.310 -0.909 -8.244 1.00 0.00 C ATOM 330 CE1 PHE A 21 7.568 -2.409 -7.708 1.00 0.00 C ATOM 331 CE2 PHE A 21 5.923 -1.618 -9.255 1.00 0.00 C ATOM 332 CZ PHE A 21 7.053 -2.362 -8.988 1.00 0.00 C ATOM 0 H PHE A 21 4.601 0.861 -3.671 1.00 0.00 H new ATOM 0 HA PHE A 21 3.340 -1.148 -5.507 1.00 0.00 H new ATOM 0 HB2 PHE A 21 4.752 0.737 -6.370 1.00 0.00 H new ATOM 0 HB3 PHE A 21 6.022 0.251 -5.264 1.00 0.00 H new ATOM 0 HD1 PHE A 21 7.350 -1.756 -5.697 1.00 0.00 H new ATOM 0 HD2 PHE A 21 4.433 -0.315 -8.457 1.00 0.00 H new ATOM 0 HE1 PHE A 21 8.454 -2.991 -7.501 1.00 0.00 H new ATOM 0 HE2 PHE A 21 5.518 -1.591 -10.256 1.00 0.00 H new ATOM 0 HZ PHE A 21 7.537 -2.910 -9.783 1.00 0.00 H new ATOM 342 N VAL A 22 3.958 -2.876 -3.937 1.00 0.00 N ATOM 343 CA VAL A 22 4.258 -3.902 -2.965 1.00 0.00 C ATOM 344 C VAL A 22 4.431 -5.319 -3.553 1.00 0.00 C ATOM 345 O VAL A 22 3.620 -5.779 -4.391 1.00 0.00 O ATOM 346 CB VAL A 22 3.240 -3.796 -1.756 1.00 0.00 C ATOM 347 CG1 VAL A 22 1.856 -3.402 -2.246 1.00 0.00 C ATOM 348 CG2 VAL A 22 3.145 -5.075 -0.909 1.00 0.00 C ATOM 0 H VAL A 22 3.124 -3.051 -4.497 1.00 0.00 H new ATOM 0 HA VAL A 22 5.257 -3.712 -2.572 1.00 0.00 H new ATOM 0 HB VAL A 22 3.641 -3.018 -1.106 1.00 0.00 H new ATOM 0 HG11 VAL A 22 1.175 -3.336 -1.398 1.00 0.00 H new ATOM 0 HG12 VAL A 22 1.909 -2.435 -2.746 1.00 0.00 H new ATOM 0 HG13 VAL A 22 1.491 -4.153 -2.947 1.00 0.00 H new ATOM 0 HG21 VAL A 22 2.429 -4.924 -0.101 1.00 0.00 H new ATOM 0 HG22 VAL A 22 2.816 -5.903 -1.536 1.00 0.00 H new ATOM 0 HG23 VAL A 22 4.123 -5.306 -0.488 1.00 0.00 H new ATOM 358 N THR A 23 5.569 -5.921 -3.164 1.00 0.00 N ATOM 359 CA THR A 23 5.997 -7.270 -3.469 1.00 0.00 C ATOM 360 C THR A 23 5.404 -8.264 -2.371 1.00 0.00 C ATOM 361 O THR A 23 5.412 -7.915 -1.165 1.00 0.00 O ATOM 362 CB THR A 23 7.540 -7.268 -3.409 1.00 0.00 C ATOM 363 OG1 THR A 23 8.048 -6.252 -4.293 1.00 0.00 O ATOM 364 CG2 THR A 23 8.130 -8.604 -3.790 1.00 0.00 C ATOM 0 H THR A 23 6.252 -5.430 -2.588 1.00 0.00 H new ATOM 0 HA THR A 23 5.650 -7.594 -4.450 1.00 0.00 H new ATOM 0 HB THR A 23 7.831 -7.063 -2.379 1.00 0.00 H new ATOM 0 HG1 THR A 23 8.759 -5.751 -3.841 1.00 0.00 H new ATOM 0 HG21 THR A 23 9.217 -8.551 -3.732 1.00 0.00 H new ATOM 0 HG22 THR A 23 7.767 -9.371 -3.105 1.00 0.00 H new ATOM 0 HG23 THR A 23 7.833 -8.856 -4.808 1.00 0.00 H new ATOM 372 N VAL A 24 4.954 -9.507 -2.753 1.00 0.00 N ATOM 373 CA VAL A 24 4.163 -10.327 -1.875 1.00 0.00 C ATOM 374 C VAL A 24 4.653 -11.849 -1.756 1.00 0.00 C ATOM 375 O VAL A 24 4.372 -12.638 -2.657 1.00 0.00 O ATOM 376 CB VAL A 24 2.685 -10.272 -2.385 1.00 0.00 C ATOM 377 CG1 VAL A 24 1.850 -11.351 -1.769 1.00 0.00 C ATOM 378 CG2 VAL A 24 2.077 -8.940 -2.002 1.00 0.00 C ATOM 0 H VAL A 24 5.144 -9.926 -3.663 1.00 0.00 H new ATOM 0 HA VAL A 24 4.267 -9.925 -0.867 1.00 0.00 H new ATOM 0 HB VAL A 24 2.701 -10.408 -3.466 1.00 0.00 H new ATOM 0 HG11 VAL A 24 0.830 -11.282 -2.146 1.00 0.00 H new ATOM 0 HG12 VAL A 24 2.267 -12.325 -2.026 1.00 0.00 H new ATOM 0 HG13 VAL A 24 1.845 -11.233 -0.685 1.00 0.00 H new ATOM 0 HG21 VAL A 24 1.047 -8.895 -2.355 1.00 0.00 H new ATOM 0 HG22 VAL A 24 2.094 -8.830 -0.918 1.00 0.00 H new ATOM 0 HG23 VAL A 24 2.652 -8.133 -2.457 1.00 0.00 H new ATOM 388 N SER A 25 5.456 -12.233 -0.690 1.00 0.00 N ATOM 389 CA SER A 25 5.794 -13.639 -0.366 1.00 0.00 C ATOM 390 C SER A 25 6.586 -14.473 -1.389 1.00 0.00 C ATOM 391 O SER A 25 7.352 -15.352 -0.986 1.00 0.00 O ATOM 392 CB SER A 25 4.627 -14.372 0.241 1.00 0.00 C ATOM 393 OG SER A 25 4.232 -13.755 1.445 1.00 0.00 O ATOM 0 H SER A 25 5.875 -11.561 -0.047 1.00 0.00 H new ATOM 0 HA SER A 25 6.566 -13.513 0.393 1.00 0.00 H new ATOM 0 HB2 SER A 25 3.792 -14.384 -0.460 1.00 0.00 H new ATOM 0 HB3 SER A 25 4.900 -15.410 0.429 1.00 0.00 H new ATOM 0 HG SER A 25 3.658 -14.366 1.953 1.00 0.00 H new ATOM 399 N GLY A 26 6.454 -14.222 -2.672 1.00 0.00 N ATOM 400 CA GLY A 26 7.275 -14.939 -3.591 1.00 0.00 C ATOM 401 C GLY A 26 6.535 -15.697 -4.655 1.00 0.00 C ATOM 402 O GLY A 26 7.186 -16.399 -5.433 1.00 0.00 O ATOM 0 H GLY A 26 5.807 -13.549 -3.082 1.00 0.00 H new ATOM 0 HA2 GLY A 26 7.952 -14.235 -4.074 1.00 0.00 H new ATOM 0 HA3 GLY A 26 7.892 -15.641 -3.030 1.00 0.00 H new ATOM 406 N ASN A 27 5.207 -15.629 -4.691 1.00 0.00 N ATOM 407 CA ASN A 27 4.473 -16.239 -5.783 1.00 0.00 C ATOM 408 C ASN A 27 4.543 -15.298 -6.975 1.00 0.00 C ATOM 409 O ASN A 27 3.862 -14.286 -7.014 1.00 0.00 O ATOM 410 CB ASN A 27 3.009 -16.533 -5.375 1.00 0.00 C ATOM 411 CG ASN A 27 2.146 -17.131 -6.487 1.00 0.00 C ATOM 412 OD1 ASN A 27 1.479 -16.416 -7.229 1.00 0.00 O ATOM 413 ND2 ASN A 27 2.140 -18.430 -6.604 1.00 0.00 N ATOM 0 H ASN A 27 4.631 -15.166 -3.988 1.00 0.00 H new ATOM 0 HA ASN A 27 4.918 -17.199 -6.046 1.00 0.00 H new ATOM 0 HB2 ASN A 27 3.013 -17.218 -4.527 1.00 0.00 H new ATOM 0 HB3 ASN A 27 2.548 -15.606 -5.034 1.00 0.00 H new ATOM 0 HD21 ASN A 27 1.572 -18.874 -7.325 1.00 0.00 H new ATOM 0 HD22 ASN A 27 2.704 -19.001 -5.974 1.00 0.00 H new ATOM 420 N PRO A 28 5.372 -15.630 -7.982 1.00 0.00 N ATOM 421 CA PRO A 28 5.639 -14.759 -9.121 1.00 0.00 C ATOM 422 C PRO A 28 4.664 -15.070 -10.235 1.00 0.00 C ATOM 423 O PRO A 28 4.970 -14.936 -11.421 1.00 0.00 O ATOM 424 CB PRO A 28 7.050 -15.207 -9.530 1.00 0.00 C ATOM 425 CG PRO A 28 7.142 -16.655 -9.151 1.00 0.00 C ATOM 426 CD PRO A 28 6.059 -16.928 -8.134 1.00 0.00 C ATOM 0 HA PRO A 28 5.550 -13.694 -8.905 1.00 0.00 H new ATOM 0 HB2 PRO A 28 7.209 -15.071 -10.600 1.00 0.00 H new ATOM 0 HB3 PRO A 28 7.811 -14.619 -9.018 1.00 0.00 H new ATOM 0 HG2 PRO A 28 7.013 -17.290 -10.028 1.00 0.00 H new ATOM 0 HG3 PRO A 28 8.124 -16.881 -8.735 1.00 0.00 H new ATOM 0 HD2 PRO A 28 5.375 -17.703 -8.479 1.00 0.00 H new ATOM 0 HD3 PRO A 28 6.478 -17.270 -7.188 1.00 0.00 H new ATOM 434 N THR A 29 3.484 -15.431 -9.835 1.00 0.00 N ATOM 435 CA THR A 29 2.476 -15.924 -10.695 1.00 0.00 C ATOM 436 C THR A 29 1.228 -15.057 -10.330 1.00 0.00 C ATOM 437 O THR A 29 1.214 -14.502 -9.227 1.00 0.00 O ATOM 438 CB THR A 29 2.324 -17.449 -10.323 1.00 0.00 C ATOM 439 OG1 THR A 29 3.641 -18.040 -10.338 1.00 0.00 O ATOM 440 CG2 THR A 29 1.443 -18.248 -11.283 1.00 0.00 C ATOM 0 H THR A 29 3.194 -15.385 -8.858 1.00 0.00 H new ATOM 0 HA THR A 29 2.657 -15.861 -11.768 1.00 0.00 H new ATOM 0 HB THR A 29 1.841 -17.488 -9.347 1.00 0.00 H new ATOM 0 HG1 THR A 29 3.576 -18.990 -10.108 1.00 0.00 H new ATOM 0 HG21 THR A 29 1.393 -19.286 -10.953 1.00 0.00 H new ATOM 0 HG22 THR A 29 0.440 -17.822 -11.296 1.00 0.00 H new ATOM 0 HG23 THR A 29 1.867 -18.206 -12.286 1.00 0.00 H new ATOM 448 N GLU A 30 0.221 -14.852 -11.211 1.00 0.00 N ATOM 449 CA GLU A 30 -0.892 -13.982 -10.866 1.00 0.00 C ATOM 450 C GLU A 30 -1.794 -14.607 -9.774 1.00 0.00 C ATOM 451 O GLU A 30 -2.761 -14.040 -9.398 1.00 0.00 O ATOM 452 CB GLU A 30 -1.706 -13.641 -12.130 1.00 0.00 C ATOM 453 CG GLU A 30 -2.730 -12.530 -11.940 1.00 0.00 C ATOM 454 CD GLU A 30 -3.626 -12.355 -13.123 1.00 0.00 C ATOM 455 OE1 GLU A 30 -4.674 -13.023 -13.188 1.00 0.00 O ATOM 456 OE2 GLU A 30 -3.331 -11.531 -13.994 1.00 0.00 O ATOM 0 H GLU A 30 0.169 -15.272 -12.139 1.00 0.00 H new ATOM 0 HA GLU A 30 -0.484 -13.060 -10.451 1.00 0.00 H new ATOM 0 HB2 GLU A 30 -1.017 -13.351 -12.923 1.00 0.00 H new ATOM 0 HB3 GLU A 30 -2.222 -14.540 -12.468 1.00 0.00 H new ATOM 0 HG2 GLU A 30 -3.336 -12.748 -11.061 1.00 0.00 H new ATOM 0 HG3 GLU A 30 -2.209 -11.593 -11.743 1.00 0.00 H new ATOM 463 N LYS A 31 -1.426 -15.757 -9.265 1.00 0.00 N ATOM 464 CA LYS A 31 -2.183 -16.447 -8.223 1.00 0.00 C ATOM 465 C LYS A 31 -2.297 -15.593 -6.967 1.00 0.00 C ATOM 466 O LYS A 31 -3.424 -15.321 -6.436 1.00 0.00 O ATOM 467 CB LYS A 31 -1.495 -17.783 -7.875 1.00 0.00 C ATOM 468 CG LYS A 31 -2.305 -18.674 -6.930 1.00 0.00 C ATOM 469 CD LYS A 31 -2.017 -18.394 -5.453 1.00 0.00 C ATOM 470 CE LYS A 31 -3.285 -18.034 -4.701 1.00 0.00 C ATOM 471 NZ LYS A 31 -3.022 -17.735 -3.283 1.00 0.00 N ATOM 0 H LYS A 31 -0.585 -16.254 -9.559 1.00 0.00 H new ATOM 0 HA LYS A 31 -3.187 -16.635 -8.604 1.00 0.00 H new ATOM 0 HB2 LYS A 31 -1.301 -18.331 -8.797 1.00 0.00 H new ATOM 0 HB3 LYS A 31 -0.527 -17.573 -7.419 1.00 0.00 H new ATOM 0 HG2 LYS A 31 -3.368 -18.527 -7.122 1.00 0.00 H new ATOM 0 HG3 LYS A 31 -2.084 -19.719 -7.146 1.00 0.00 H new ATOM 0 HD2 LYS A 31 -1.558 -19.272 -4.997 1.00 0.00 H new ATOM 0 HD3 LYS A 31 -1.298 -17.579 -5.369 1.00 0.00 H new ATOM 0 HE2 LYS A 31 -3.753 -17.170 -5.173 1.00 0.00 H new ATOM 0 HE3 LYS A 31 -3.994 -18.859 -4.772 1.00 0.00 H new ATOM 0 HZ1 LYS A 31 -3.750 -17.084 -2.925 1.00 0.00 H new ATOM 0 HZ2 LYS A 31 -3.045 -18.617 -2.732 1.00 0.00 H new ATOM 0 HZ3 LYS A 31 -2.085 -17.293 -3.189 1.00 0.00 H new ATOM 485 N GLU A 32 -1.164 -15.191 -6.472 1.00 0.00 N ATOM 486 CA GLU A 32 -1.138 -14.446 -5.255 1.00 0.00 C ATOM 487 C GLU A 32 -1.829 -13.134 -5.518 1.00 0.00 C ATOM 488 O GLU A 32 -2.779 -12.777 -4.843 1.00 0.00 O ATOM 489 CB GLU A 32 0.299 -14.257 -4.770 1.00 0.00 C ATOM 490 CG GLU A 32 0.470 -14.351 -3.272 1.00 0.00 C ATOM 491 CD GLU A 32 0.111 -15.726 -2.755 1.00 0.00 C ATOM 492 OE1 GLU A 32 -1.102 -16.037 -2.653 1.00 0.00 O ATOM 493 OE2 GLU A 32 1.025 -16.524 -2.461 1.00 0.00 O ATOM 0 H GLU A 32 -0.251 -15.367 -6.892 1.00 0.00 H new ATOM 0 HA GLU A 32 -1.658 -14.977 -4.458 1.00 0.00 H new ATOM 0 HB2 GLU A 32 0.931 -15.008 -5.243 1.00 0.00 H new ATOM 0 HB3 GLU A 32 0.657 -13.283 -5.104 1.00 0.00 H new ATOM 0 HG2 GLU A 32 1.502 -14.121 -3.008 1.00 0.00 H new ATOM 0 HG3 GLU A 32 -0.158 -13.604 -2.786 1.00 0.00 H new ATOM 500 N THR A 33 -1.366 -12.496 -6.549 1.00 0.00 N ATOM 501 CA THR A 33 -1.940 -11.313 -7.114 1.00 0.00 C ATOM 502 C THR A 33 -3.479 -11.383 -7.210 1.00 0.00 C ATOM 503 O THR A 33 -4.131 -10.527 -6.709 1.00 0.00 O ATOM 504 CB THR A 33 -1.354 -11.098 -8.511 1.00 0.00 C ATOM 505 OG1 THR A 33 0.062 -10.958 -8.392 1.00 0.00 O ATOM 506 CG2 THR A 33 -1.934 -9.861 -9.168 1.00 0.00 C ATOM 0 H THR A 33 -0.531 -12.804 -7.047 1.00 0.00 H new ATOM 0 HA THR A 33 -1.698 -10.481 -6.453 1.00 0.00 H new ATOM 0 HB THR A 33 -1.605 -11.956 -9.135 1.00 0.00 H new ATOM 0 HG1 THR A 33 0.346 -10.125 -8.823 1.00 0.00 H new ATOM 0 HG21 THR A 33 -1.497 -9.737 -10.159 1.00 0.00 H new ATOM 0 HG22 THR A 33 -3.015 -9.970 -9.259 1.00 0.00 H new ATOM 0 HG23 THR A 33 -1.708 -8.986 -8.559 1.00 0.00 H new ATOM 514 N GLU A 34 -4.030 -12.422 -7.810 1.00 0.00 N ATOM 515 CA GLU A 34 -5.469 -12.523 -8.025 1.00 0.00 C ATOM 516 C GLU A 34 -6.246 -12.555 -6.708 1.00 0.00 C ATOM 517 O GLU A 34 -7.107 -11.664 -6.461 1.00 0.00 O ATOM 518 CB GLU A 34 -5.837 -13.735 -8.921 1.00 0.00 C ATOM 519 CG GLU A 34 -5.545 -15.098 -8.316 1.00 0.00 C ATOM 520 CD GLU A 34 -5.987 -16.236 -9.173 1.00 0.00 C ATOM 521 OE1 GLU A 34 -5.485 -16.381 -10.309 1.00 0.00 O ATOM 522 OE2 GLU A 34 -6.825 -17.035 -8.711 1.00 0.00 O ATOM 0 H GLU A 34 -3.499 -13.218 -8.162 1.00 0.00 H new ATOM 0 HA GLU A 34 -5.767 -11.619 -8.557 1.00 0.00 H new ATOM 0 HB2 GLU A 34 -6.899 -13.681 -9.160 1.00 0.00 H new ATOM 0 HB3 GLU A 34 -5.294 -13.649 -9.862 1.00 0.00 H new ATOM 0 HG2 GLU A 34 -4.474 -15.184 -8.135 1.00 0.00 H new ATOM 0 HG3 GLU A 34 -6.039 -15.170 -7.347 1.00 0.00 H new ATOM 529 N GLU A 35 -5.889 -13.519 -5.832 1.00 0.00 N ATOM 530 CA GLU A 35 -6.599 -13.722 -4.555 1.00 0.00 C ATOM 531 C GLU A 35 -6.514 -12.436 -3.755 1.00 0.00 C ATOM 532 O GLU A 35 -7.526 -11.813 -3.355 1.00 0.00 O ATOM 533 CB GLU A 35 -5.887 -14.850 -3.744 1.00 0.00 C ATOM 534 CG GLU A 35 -6.577 -15.208 -2.449 1.00 0.00 C ATOM 535 CD GLU A 35 -7.909 -15.864 -2.658 1.00 0.00 C ATOM 536 OE1 GLU A 35 -7.942 -17.111 -2.776 1.00 0.00 O ATOM 537 OE2 GLU A 35 -8.942 -15.163 -2.686 1.00 0.00 O ATOM 0 H GLU A 35 -5.116 -14.166 -5.987 1.00 0.00 H new ATOM 0 HA GLU A 35 -7.637 -13.997 -4.744 1.00 0.00 H new ATOM 0 HB2 GLU A 35 -5.819 -15.743 -4.366 1.00 0.00 H new ATOM 0 HB3 GLU A 35 -4.866 -14.536 -3.525 1.00 0.00 H new ATOM 0 HG2 GLU A 35 -5.935 -15.876 -1.874 1.00 0.00 H new ATOM 0 HG3 GLU A 35 -6.712 -14.305 -1.854 1.00 0.00 H new ATOM 544 N ILE A 36 -5.312 -12.029 -3.609 1.00 0.00 N ATOM 545 CA ILE A 36 -4.937 -10.915 -2.864 1.00 0.00 C ATOM 546 C ILE A 36 -5.482 -9.596 -3.427 1.00 0.00 C ATOM 547 O ILE A 36 -5.961 -8.809 -2.674 1.00 0.00 O ATOM 548 CB ILE A 36 -3.427 -10.937 -2.725 1.00 0.00 C ATOM 549 CG1 ILE A 36 -2.965 -11.750 -1.504 1.00 0.00 C ATOM 550 CG2 ILE A 36 -2.801 -9.611 -2.773 1.00 0.00 C ATOM 551 CD1 ILE A 36 -1.513 -12.113 -1.609 1.00 0.00 C ATOM 0 H ILE A 36 -4.519 -12.504 -4.040 1.00 0.00 H new ATOM 0 HA ILE A 36 -5.390 -10.970 -1.874 1.00 0.00 H new ATOM 0 HB ILE A 36 -3.070 -11.455 -3.615 1.00 0.00 H new ATOM 0 HG12 ILE A 36 -3.133 -11.172 -0.595 1.00 0.00 H new ATOM 0 HG13 ILE A 36 -3.564 -12.657 -1.420 1.00 0.00 H new ATOM 0 HG21 ILE A 36 -1.721 -9.714 -2.667 1.00 0.00 H new ATOM 0 HG22 ILE A 36 -3.028 -9.136 -3.727 1.00 0.00 H new ATOM 0 HG23 ILE A 36 -3.188 -8.996 -1.961 1.00 0.00 H new ATOM 0 HD11 ILE A 36 -1.217 -12.687 -0.731 1.00 0.00 H new ATOM 0 HD12 ILE A 36 -1.352 -12.712 -2.505 1.00 0.00 H new ATOM 0 HD13 ILE A 36 -0.914 -11.204 -1.667 1.00 0.00 H new ATOM 563 N THR A 37 -5.489 -9.379 -4.749 1.00 0.00 N ATOM 564 CA THR A 37 -5.956 -8.089 -5.251 1.00 0.00 C ATOM 565 C THR A 37 -7.428 -7.969 -5.059 1.00 0.00 C ATOM 566 O THR A 37 -7.924 -6.888 -4.692 1.00 0.00 O ATOM 567 CB THR A 37 -5.608 -7.789 -6.730 1.00 0.00 C ATOM 568 OG1 THR A 37 -5.961 -8.904 -7.558 1.00 0.00 O ATOM 569 CG2 THR A 37 -4.135 -7.420 -6.921 1.00 0.00 C ATOM 0 H THR A 37 -5.191 -10.048 -5.459 1.00 0.00 H new ATOM 0 HA THR A 37 -5.415 -7.347 -4.663 1.00 0.00 H new ATOM 0 HB THR A 37 -6.193 -6.920 -7.030 1.00 0.00 H new ATOM 0 HG1 THR A 37 -5.223 -9.548 -7.571 1.00 0.00 H new ATOM 0 HG21 THR A 37 -3.944 -7.219 -7.975 1.00 0.00 H new ATOM 0 HG22 THR A 37 -3.904 -6.531 -6.335 1.00 0.00 H new ATOM 0 HG23 THR A 37 -3.507 -8.247 -6.589 1.00 0.00 H new ATOM 577 N SER A 38 -8.134 -9.086 -5.254 1.00 0.00 N ATOM 578 CA SER A 38 -9.539 -9.079 -5.067 1.00 0.00 C ATOM 579 C SER A 38 -9.858 -8.769 -3.591 1.00 0.00 C ATOM 580 O SER A 38 -10.624 -7.832 -3.310 1.00 0.00 O ATOM 581 CB SER A 38 -10.183 -10.392 -5.589 1.00 0.00 C ATOM 582 OG SER A 38 -9.712 -10.679 -6.907 1.00 0.00 O ATOM 0 H SER A 38 -7.738 -9.982 -5.537 1.00 0.00 H new ATOM 0 HA SER A 38 -9.990 -8.287 -5.664 1.00 0.00 H new ATOM 0 HB2 SER A 38 -9.939 -11.217 -4.920 1.00 0.00 H new ATOM 0 HB3 SER A 38 -11.269 -10.296 -5.595 1.00 0.00 H new ATOM 0 HG SER A 38 -8.805 -11.046 -6.857 1.00 0.00 H new ATOM 588 N LEU A 39 -9.161 -9.432 -2.642 1.00 0.00 N ATOM 589 CA LEU A 39 -9.449 -9.203 -1.245 1.00 0.00 C ATOM 590 C LEU A 39 -8.934 -7.844 -0.799 1.00 0.00 C ATOM 591 O LEU A 39 -9.665 -7.086 -0.162 1.00 0.00 O ATOM 592 CB LEU A 39 -8.928 -10.344 -0.335 1.00 0.00 C ATOM 593 CG LEU A 39 -9.165 -10.164 1.165 1.00 0.00 C ATOM 594 CD1 LEU A 39 -10.648 -10.157 1.481 1.00 0.00 C ATOM 595 CD2 LEU A 39 -8.446 -11.245 1.950 1.00 0.00 C ATOM 0 H LEU A 39 -8.420 -10.107 -2.828 1.00 0.00 H new ATOM 0 HA LEU A 39 -10.534 -9.202 -1.138 1.00 0.00 H new ATOM 0 HB2 LEU A 39 -9.399 -11.276 -0.648 1.00 0.00 H new ATOM 0 HB3 LEU A 39 -7.857 -10.456 -0.503 1.00 0.00 H new ATOM 0 HG LEU A 39 -8.757 -9.198 1.463 1.00 0.00 H new ATOM 0 HD11 LEU A 39 -10.791 -10.028 2.554 1.00 0.00 H new ATOM 0 HD12 LEU A 39 -11.129 -9.336 0.949 1.00 0.00 H new ATOM 0 HD13 LEU A 39 -11.091 -11.102 1.167 1.00 0.00 H new ATOM 0 HD21 LEU A 39 -8.626 -11.101 3.015 1.00 0.00 H new ATOM 0 HD22 LEU A 39 -8.819 -12.223 1.648 1.00 0.00 H new ATOM 0 HD23 LEU A 39 -7.376 -11.188 1.752 1.00 0.00 H new ATOM 607 N TRP A 40 -7.718 -7.498 -1.208 1.00 0.00 N ATOM 608 CA TRP A 40 -7.103 -6.266 -0.804 1.00 0.00 C ATOM 609 C TRP A 40 -7.827 -5.091 -1.377 1.00 0.00 C ATOM 610 O TRP A 40 -8.553 -4.435 -0.663 1.00 0.00 O ATOM 611 CB TRP A 40 -5.599 -6.202 -1.145 1.00 0.00 C ATOM 612 CG TRP A 40 -4.728 -7.142 -0.349 1.00 0.00 C ATOM 613 CD1 TRP A 40 -5.108 -7.974 0.664 1.00 0.00 C ATOM 614 CD2 TRP A 40 -3.309 -7.303 -0.485 1.00 0.00 C ATOM 615 NE1 TRP A 40 -4.017 -8.633 1.166 1.00 0.00 N ATOM 616 CE2 TRP A 40 -2.896 -8.235 0.482 1.00 0.00 C ATOM 617 CE3 TRP A 40 -2.339 -6.739 -1.339 1.00 0.00 C ATOM 618 CZ2 TRP A 40 -1.553 -8.614 0.632 1.00 0.00 C ATOM 619 CZ3 TRP A 40 -1.016 -7.114 -1.183 1.00 0.00 C ATOM 620 CH2 TRP A 40 -0.635 -8.044 -0.200 1.00 0.00 C ATOM 0 H TRP A 40 -7.143 -8.070 -1.827 1.00 0.00 H new ATOM 0 HA TRP A 40 -7.178 -6.228 0.283 1.00 0.00 H new ATOM 0 HB2 TRP A 40 -5.472 -6.422 -2.205 1.00 0.00 H new ATOM 0 HB3 TRP A 40 -5.248 -5.182 -0.986 1.00 0.00 H new ATOM 0 HD1 TRP A 40 -6.121 -8.095 1.018 1.00 0.00 H new ATOM 0 HE1 TRP A 40 -4.035 -9.312 1.927 1.00 0.00 H new ATOM 0 HE3 TRP A 40 -2.623 -6.028 -2.100 1.00 0.00 H new ATOM 0 HZ2 TRP A 40 -1.256 -9.333 1.381 1.00 0.00 H new ATOM 0 HZ3 TRP A 40 -0.263 -6.685 -1.828 1.00 0.00 H new ATOM 0 HH2 TRP A 40 0.406 -8.313 -0.102 1.00 0.00 H new ATOM 631 N GLN A 41 -7.741 -4.868 -2.687 1.00 0.00 N ATOM 632 CA GLN A 41 -8.312 -3.661 -3.212 1.00 0.00 C ATOM 633 C GLN A 41 -9.839 -3.714 -3.226 1.00 0.00 C ATOM 634 O GLN A 41 -10.495 -2.653 -3.244 1.00 0.00 O ATOM 635 CB GLN A 41 -7.640 -3.155 -4.536 1.00 0.00 C ATOM 636 CG GLN A 41 -8.041 -3.808 -5.855 1.00 0.00 C ATOM 637 CD GLN A 41 -9.191 -3.057 -6.509 1.00 0.00 C ATOM 638 OE1 GLN A 41 -10.366 -3.361 -6.282 1.00 0.00 O ATOM 639 NE2 GLN A 41 -8.859 -2.058 -7.302 1.00 0.00 N ATOM 0 H GLN A 41 -7.299 -5.486 -3.367 1.00 0.00 H new ATOM 0 HA GLN A 41 -8.063 -2.865 -2.511 1.00 0.00 H new ATOM 0 HB2 GLN A 41 -7.840 -2.087 -4.621 1.00 0.00 H new ATOM 0 HB3 GLN A 41 -6.562 -3.269 -4.424 1.00 0.00 H new ATOM 0 HG2 GLN A 41 -7.185 -3.828 -6.530 1.00 0.00 H new ATOM 0 HG3 GLN A 41 -8.332 -4.843 -5.678 1.00 0.00 H new ATOM 0 HE21 GLN A 41 -7.876 -1.840 -7.463 1.00 0.00 H new ATOM 0 HE22 GLN A 41 -9.585 -1.503 -7.755 1.00 0.00 H new ATOM 648 N GLY A 42 -10.412 -4.942 -3.153 1.00 0.00 N ATOM 649 CA GLY A 42 -11.836 -5.071 -2.993 1.00 0.00 C ATOM 650 C GLY A 42 -12.269 -4.474 -1.673 1.00 0.00 C ATOM 651 O GLY A 42 -13.134 -3.607 -1.645 1.00 0.00 O ATOM 0 H GLY A 42 -9.902 -5.824 -3.204 1.00 0.00 H new ATOM 0 HA2 GLY A 42 -12.349 -4.569 -3.813 1.00 0.00 H new ATOM 0 HA3 GLY A 42 -12.120 -6.122 -3.036 1.00 0.00 H new ATOM 655 N SER A 43 -11.610 -4.872 -0.579 1.00 0.00 N ATOM 656 CA SER A 43 -11.944 -4.313 0.724 1.00 0.00 C ATOM 657 C SER A 43 -11.514 -2.842 0.803 1.00 0.00 C ATOM 658 O SER A 43 -12.151 -2.031 1.483 1.00 0.00 O ATOM 659 CB SER A 43 -11.366 -5.156 1.884 1.00 0.00 C ATOM 660 OG SER A 43 -9.952 -5.318 1.784 1.00 0.00 O ATOM 0 H SER A 43 -10.860 -5.563 -0.573 1.00 0.00 H new ATOM 0 HA SER A 43 -13.027 -4.349 0.838 1.00 0.00 H new ATOM 0 HB2 SER A 43 -11.608 -4.678 2.833 1.00 0.00 H new ATOM 0 HB3 SER A 43 -11.842 -6.136 1.890 1.00 0.00 H new ATOM 0 HG SER A 43 -9.751 -6.122 1.262 1.00 0.00 H new ATOM 666 N LEU A 44 -10.458 -2.491 0.051 1.00 0.00 N ATOM 667 CA LEU A 44 -9.993 -1.114 -0.027 1.00 0.00 C ATOM 668 C LEU A 44 -11.080 -0.204 -0.634 1.00 0.00 C ATOM 669 O LEU A 44 -11.214 0.962 -0.252 1.00 0.00 O ATOM 670 CB LEU A 44 -8.641 -0.978 -0.790 1.00 0.00 C ATOM 671 CG LEU A 44 -7.450 -1.810 -0.297 1.00 0.00 C ATOM 672 CD1 LEU A 44 -6.099 -1.297 -0.888 1.00 0.00 C ATOM 673 CD2 LEU A 44 -7.455 -1.916 1.238 1.00 0.00 C ATOM 0 H LEU A 44 -9.916 -3.149 -0.509 1.00 0.00 H new ATOM 0 HA LEU A 44 -9.800 -0.783 0.994 1.00 0.00 H new ATOM 0 HB2 LEU A 44 -8.819 -1.236 -1.834 1.00 0.00 H new ATOM 0 HB3 LEU A 44 -8.348 0.072 -0.766 1.00 0.00 H new ATOM 0 HG LEU A 44 -7.559 -2.827 -0.674 1.00 0.00 H new ATOM 0 HD11 LEU A 44 -5.281 -1.913 -0.514 1.00 0.00 H new ATOM 0 HD12 LEU A 44 -6.131 -1.358 -1.976 1.00 0.00 H new ATOM 0 HD13 LEU A 44 -5.940 -0.261 -0.587 1.00 0.00 H new ATOM 0 HD21 LEU A 44 -6.602 -2.510 1.564 1.00 0.00 H new ATOM 0 HD22 LEU A 44 -7.390 -0.918 1.672 1.00 0.00 H new ATOM 0 HD23 LEU A 44 -8.377 -2.395 1.567 1.00 0.00 H new ATOM 685 N PHE A 45 -11.880 -0.751 -1.557 1.00 0.00 N ATOM 686 CA PHE A 45 -12.992 0.000 -2.134 1.00 0.00 C ATOM 687 C PHE A 45 -14.241 -0.161 -1.257 1.00 0.00 C ATOM 688 O PHE A 45 -15.054 0.761 -1.130 1.00 0.00 O ATOM 689 CB PHE A 45 -13.275 -0.463 -3.585 1.00 0.00 C ATOM 690 CG PHE A 45 -14.404 0.262 -4.282 1.00 0.00 C ATOM 691 CD1 PHE A 45 -14.187 1.483 -4.894 1.00 0.00 C ATOM 692 CD2 PHE A 45 -15.678 -0.290 -4.333 1.00 0.00 C ATOM 693 CE1 PHE A 45 -15.212 2.144 -5.542 1.00 0.00 C ATOM 694 CE2 PHE A 45 -16.707 0.368 -4.978 1.00 0.00 C ATOM 695 CZ PHE A 45 -16.474 1.586 -5.583 1.00 0.00 C ATOM 0 H PHE A 45 -11.777 -1.701 -1.915 1.00 0.00 H new ATOM 0 HA PHE A 45 -12.722 1.055 -2.168 1.00 0.00 H new ATOM 0 HB2 PHE A 45 -12.366 -0.338 -4.173 1.00 0.00 H new ATOM 0 HB3 PHE A 45 -13.502 -1.529 -3.572 1.00 0.00 H new ATOM 0 HD1 PHE A 45 -13.202 1.926 -4.865 1.00 0.00 H new ATOM 0 HD2 PHE A 45 -15.866 -1.244 -3.863 1.00 0.00 H new ATOM 0 HE1 PHE A 45 -15.026 3.096 -6.016 1.00 0.00 H new ATOM 0 HE2 PHE A 45 -17.693 -0.071 -5.009 1.00 0.00 H new ATOM 0 HZ PHE A 45 -17.277 2.102 -6.088 1.00 0.00 H new ATOM 705 N ASN A 46 -14.357 -1.319 -0.619 1.00 0.00 N ATOM 706 CA ASN A 46 -15.515 -1.662 0.205 1.00 0.00 C ATOM 707 C ASN A 46 -15.584 -0.780 1.454 1.00 0.00 C ATOM 708 O ASN A 46 -16.672 -0.445 1.933 1.00 0.00 O ATOM 709 CB ASN A 46 -15.492 -3.171 0.572 1.00 0.00 C ATOM 710 CG ASN A 46 -16.718 -3.635 1.346 1.00 0.00 C ATOM 711 OD1 ASN A 46 -16.752 -3.586 2.578 1.00 0.00 O ATOM 712 ND2 ASN A 46 -17.699 -4.138 0.641 1.00 0.00 N ATOM 0 H ASN A 46 -13.648 -2.052 -0.657 1.00 0.00 H new ATOM 0 HA ASN A 46 -16.418 -1.471 -0.375 1.00 0.00 H new ATOM 0 HB2 ASN A 46 -15.409 -3.757 -0.344 1.00 0.00 H new ATOM 0 HB3 ASN A 46 -14.601 -3.378 1.164 1.00 0.00 H new ATOM 0 HD21 ASN A 46 -18.527 -4.506 1.109 1.00 0.00 H new ATOM 0 HD22 ASN A 46 -17.636 -4.162 -0.377 1.00 0.00 H new ATOM 719 N ALA A 47 -14.428 -0.347 1.946 1.00 0.00 N ATOM 720 CA ALA A 47 -14.377 0.520 3.109 1.00 0.00 C ATOM 721 C ALA A 47 -14.469 1.989 2.704 1.00 0.00 C ATOM 722 O ALA A 47 -14.336 2.877 3.541 1.00 0.00 O ATOM 723 CB ALA A 47 -13.129 0.262 3.926 1.00 0.00 C ATOM 0 H ALA A 47 -13.516 -0.584 1.555 1.00 0.00 H new ATOM 0 HA ALA A 47 -15.240 0.290 3.733 1.00 0.00 H new ATOM 0 HB1 ALA A 47 -13.117 0.925 4.791 1.00 0.00 H new ATOM 0 HB2 ALA A 47 -13.123 -0.774 4.263 1.00 0.00 H new ATOM 0 HB3 ALA A 47 -12.248 0.449 3.313 1.00 0.00 H new ATOM 729 N ASN A 48 -14.677 2.221 1.408 1.00 0.00 N ATOM 730 CA ASN A 48 -14.902 3.556 0.837 1.00 0.00 C ATOM 731 C ASN A 48 -13.744 4.545 1.150 1.00 0.00 C ATOM 732 O ASN A 48 -13.972 5.684 1.574 1.00 0.00 O ATOM 733 CB ASN A 48 -16.275 4.103 1.328 1.00 0.00 C ATOM 734 CG ASN A 48 -16.683 5.435 0.692 1.00 0.00 C ATOM 735 OD1 ASN A 48 -16.293 5.760 -0.432 1.00 0.00 O ATOM 736 ND2 ASN A 48 -17.474 6.204 1.394 1.00 0.00 N ATOM 0 H ASN A 48 -14.695 1.477 0.711 1.00 0.00 H new ATOM 0 HA ASN A 48 -14.922 3.462 -0.249 1.00 0.00 H new ATOM 0 HB2 ASN A 48 -17.045 3.361 1.117 1.00 0.00 H new ATOM 0 HB3 ASN A 48 -16.239 4.226 2.410 1.00 0.00 H new ATOM 0 HD21 ASN A 48 -17.784 7.098 1.014 1.00 0.00 H new ATOM 0 HD22 ASN A 48 -17.781 5.909 2.321 1.00 0.00 H new ATOM 743 N TYR A 49 -12.496 4.132 0.959 1.00 0.00 N ATOM 744 CA TYR A 49 -11.420 5.055 1.142 1.00 0.00 C ATOM 745 C TYR A 49 -11.100 5.615 -0.282 1.00 0.00 C ATOM 746 O TYR A 49 -11.335 4.884 -1.251 1.00 0.00 O ATOM 747 CB TYR A 49 -10.212 4.311 1.724 1.00 0.00 C ATOM 748 CG TYR A 49 -10.283 3.863 3.160 1.00 0.00 C ATOM 749 CD1 TYR A 49 -10.784 4.672 4.168 1.00 0.00 C ATOM 750 CD2 TYR A 49 -9.812 2.603 3.502 1.00 0.00 C ATOM 751 CE1 TYR A 49 -10.815 4.232 5.481 1.00 0.00 C ATOM 752 CE2 TYR A 49 -9.832 2.154 4.802 1.00 0.00 C ATOM 753 CZ TYR A 49 -10.335 2.971 5.792 1.00 0.00 C ATOM 754 OH TYR A 49 -10.360 2.527 7.104 1.00 0.00 O ATOM 0 H TYR A 49 -12.224 3.188 0.685 1.00 0.00 H new ATOM 0 HA TYR A 49 -11.670 5.862 1.831 1.00 0.00 H new ATOM 0 HB2 TYR A 49 -10.034 3.430 1.108 1.00 0.00 H new ATOM 0 HB3 TYR A 49 -9.340 4.956 1.618 1.00 0.00 H new ATOM 0 HD1 TYR A 49 -11.155 5.657 3.927 1.00 0.00 H new ATOM 0 HD2 TYR A 49 -9.420 1.959 2.728 1.00 0.00 H new ATOM 0 HE1 TYR A 49 -11.211 4.869 6.258 1.00 0.00 H new ATOM 0 HE2 TYR A 49 -9.457 1.171 5.045 1.00 0.00 H new ATOM 0 HH TYR A 49 -9.988 1.622 7.150 1.00 0.00 H new ATOM 764 N ASP A 50 -10.580 6.854 -0.461 1.00 0.00 N ATOM 765 CA ASP A 50 -10.359 7.331 -1.836 1.00 0.00 C ATOM 766 C ASP A 50 -8.959 7.010 -2.246 1.00 0.00 C ATOM 767 O ASP A 50 -8.017 7.706 -1.899 1.00 0.00 O ATOM 768 CB ASP A 50 -10.653 8.822 -2.026 1.00 0.00 C ATOM 769 CG ASP A 50 -10.564 9.236 -3.493 1.00 0.00 C ATOM 770 OD1 ASP A 50 -11.504 8.913 -4.280 1.00 0.00 O ATOM 771 OD2 ASP A 50 -9.582 9.869 -3.893 1.00 0.00 O ATOM 0 H ASP A 50 -10.321 7.502 0.283 1.00 0.00 H new ATOM 0 HA ASP A 50 -11.071 6.811 -2.477 1.00 0.00 H new ATOM 0 HB2 ASP A 50 -11.649 9.047 -1.645 1.00 0.00 H new ATOM 0 HB3 ASP A 50 -9.947 9.409 -1.439 1.00 0.00 H new ATOM 776 N VAL A 51 -8.838 5.910 -2.909 1.00 0.00 N ATOM 777 CA VAL A 51 -7.572 5.334 -3.298 1.00 0.00 C ATOM 778 C VAL A 51 -7.712 4.628 -4.616 1.00 0.00 C ATOM 779 O VAL A 51 -8.813 4.297 -5.031 1.00 0.00 O ATOM 780 CB VAL A 51 -7.112 4.275 -2.257 1.00 0.00 C ATOM 781 CG1 VAL A 51 -6.303 4.864 -1.138 1.00 0.00 C ATOM 782 CG2 VAL A 51 -8.309 3.608 -1.676 1.00 0.00 C ATOM 0 H VAL A 51 -9.641 5.358 -3.211 1.00 0.00 H new ATOM 0 HA VAL A 51 -6.846 6.144 -3.364 1.00 0.00 H new ATOM 0 HB VAL A 51 -6.475 3.566 -2.786 1.00 0.00 H new ATOM 0 HG11 VAL A 51 -6.012 4.075 -0.445 1.00 0.00 H new ATOM 0 HG12 VAL A 51 -5.409 5.337 -1.545 1.00 0.00 H new ATOM 0 HG13 VAL A 51 -6.899 5.608 -0.611 1.00 0.00 H new ATOM 0 HG21 VAL A 51 -7.992 2.864 -0.945 1.00 0.00 H new ATOM 0 HG22 VAL A 51 -8.939 4.352 -1.187 1.00 0.00 H new ATOM 0 HG23 VAL A 51 -8.874 3.119 -2.470 1.00 0.00 H new ATOM 792 N GLN A 52 -6.609 4.366 -5.253 1.00 0.00 N ATOM 793 CA GLN A 52 -6.586 3.582 -6.499 1.00 0.00 C ATOM 794 C GLN A 52 -5.613 2.472 -6.284 1.00 0.00 C ATOM 795 O GLN A 52 -4.485 2.707 -5.952 1.00 0.00 O ATOM 796 CB GLN A 52 -6.196 4.422 -7.747 1.00 0.00 C ATOM 797 CG GLN A 52 -7.218 5.493 -8.161 1.00 0.00 C ATOM 798 CD GLN A 52 -7.283 6.692 -7.226 1.00 0.00 C ATOM 799 OE1 GLN A 52 -6.153 7.102 -6.692 1.00 0.00 O flip ATOM 800 NE2 GLN A 52 -8.345 7.286 -7.031 1.00 0.00 N flip ATOM 0 H GLN A 52 -5.690 4.680 -4.942 1.00 0.00 H new ATOM 0 HA GLN A 52 -7.589 3.211 -6.711 1.00 0.00 H new ATOM 0 HB2 GLN A 52 -5.241 4.910 -7.553 1.00 0.00 H new ATOM 0 HB3 GLN A 52 -6.043 3.745 -8.587 1.00 0.00 H new ATOM 0 HG2 GLN A 52 -6.974 5.842 -9.164 1.00 0.00 H new ATOM 0 HG3 GLN A 52 -8.206 5.035 -8.214 1.00 0.00 H new ATOM 0 HE21 GLN A 52 -9.206 6.945 -7.458 1.00 0.00 H new ATOM 0 HE22 GLN A 52 -8.363 8.119 -6.442 1.00 0.00 H new ATOM 809 N ARG A 53 -6.052 1.273 -6.407 1.00 0.00 N ATOM 810 CA ARG A 53 -5.221 0.154 -6.055 1.00 0.00 C ATOM 811 C ARG A 53 -5.214 -0.774 -7.219 1.00 0.00 C ATOM 812 O ARG A 53 -6.259 -1.025 -7.795 1.00 0.00 O ATOM 813 CB ARG A 53 -5.691 -0.538 -4.755 1.00 0.00 C ATOM 814 CG ARG A 53 -5.908 0.382 -3.556 1.00 0.00 C ATOM 815 CD ARG A 53 -7.177 1.126 -3.679 1.00 0.00 C ATOM 816 NE ARG A 53 -8.342 0.243 -3.856 1.00 0.00 N ATOM 817 CZ ARG A 53 -9.387 0.506 -4.665 1.00 0.00 C ATOM 818 NH1 ARG A 53 -9.515 1.688 -5.228 1.00 0.00 N ATOM 819 NH2 ARG A 53 -10.325 -0.402 -4.851 1.00 0.00 N ATOM 0 H ARG A 53 -6.982 1.029 -6.748 1.00 0.00 H new ATOM 0 HA ARG A 53 -4.207 0.492 -5.840 1.00 0.00 H new ATOM 0 HB2 ARG A 53 -6.624 -1.062 -4.961 1.00 0.00 H new ATOM 0 HB3 ARG A 53 -4.955 -1.294 -4.481 1.00 0.00 H new ATOM 0 HG2 ARG A 53 -5.916 -0.207 -2.639 1.00 0.00 H new ATOM 0 HG3 ARG A 53 -5.078 1.084 -3.477 1.00 0.00 H new ATOM 0 HD2 ARG A 53 -7.322 1.737 -2.788 1.00 0.00 H new ATOM 0 HD3 ARG A 53 -7.112 1.808 -4.527 1.00 0.00 H new ATOM 0 HE ARG A 53 -8.359 -0.630 -3.329 1.00 0.00 H new ATOM 0 HH11 ARG A 53 -8.820 2.414 -5.054 1.00 0.00 H new ATOM 0 HH12 ARG A 53 -10.309 1.879 -5.839 1.00 0.00 H new ATOM 0 HH21 ARG A 53 -10.260 -1.305 -4.382 1.00 0.00 H new ATOM 0 HH22 ARG A 53 -11.115 -0.201 -5.464 1.00 0.00 H new ATOM 833 N PHE A 54 -4.070 -1.292 -7.551 1.00 0.00 N ATOM 834 CA PHE A 54 -3.912 -1.910 -8.867 1.00 0.00 C ATOM 835 C PHE A 54 -3.249 -3.245 -8.892 1.00 0.00 C ATOM 836 O PHE A 54 -2.440 -3.592 -8.006 1.00 0.00 O ATOM 837 CB PHE A 54 -3.161 -0.986 -9.836 1.00 0.00 C ATOM 838 CG PHE A 54 -3.982 0.099 -10.457 1.00 0.00 C ATOM 839 CD1 PHE A 54 -4.149 1.320 -9.836 1.00 0.00 C ATOM 840 CD2 PHE A 54 -4.573 -0.108 -11.687 1.00 0.00 C ATOM 841 CE1 PHE A 54 -4.896 2.313 -10.428 1.00 0.00 C ATOM 842 CE2 PHE A 54 -5.316 0.875 -12.285 1.00 0.00 C ATOM 843 CZ PHE A 54 -5.482 2.092 -11.658 1.00 0.00 C ATOM 0 H PHE A 54 -3.241 -1.309 -6.957 1.00 0.00 H new ATOM 0 HA PHE A 54 -4.943 -2.071 -9.181 1.00 0.00 H new ATOM 0 HB2 PHE A 54 -2.329 -0.528 -9.302 1.00 0.00 H new ATOM 0 HB3 PHE A 54 -2.732 -1.594 -10.632 1.00 0.00 H new ATOM 0 HD1 PHE A 54 -3.689 1.498 -8.875 1.00 0.00 H new ATOM 0 HD2 PHE A 54 -4.448 -1.058 -12.185 1.00 0.00 H new ATOM 0 HE1 PHE A 54 -5.023 3.263 -9.931 1.00 0.00 H new ATOM 0 HE2 PHE A 54 -5.772 0.697 -13.248 1.00 0.00 H new ATOM 0 HZ PHE A 54 -6.068 2.869 -12.127 1.00 0.00 H new ATOM 853 N ILE A 55 -3.621 -3.993 -9.918 1.00 0.00 N ATOM 854 CA ILE A 55 -2.983 -5.214 -10.291 1.00 0.00 C ATOM 855 C ILE A 55 -1.915 -4.834 -11.297 1.00 0.00 C ATOM 856 O ILE A 55 -2.207 -4.596 -12.480 1.00 0.00 O ATOM 857 CB ILE A 55 -3.960 -6.202 -10.982 1.00 0.00 C ATOM 858 CG1 ILE A 55 -5.146 -6.510 -10.073 1.00 0.00 C ATOM 859 CG2 ILE A 55 -3.237 -7.485 -11.401 1.00 0.00 C ATOM 860 CD1 ILE A 55 -6.106 -7.525 -10.635 1.00 0.00 C ATOM 0 H ILE A 55 -4.403 -3.746 -10.525 1.00 0.00 H new ATOM 0 HA ILE A 55 -2.592 -5.707 -9.401 1.00 0.00 H new ATOM 0 HB ILE A 55 -4.342 -5.727 -11.886 1.00 0.00 H new ATOM 0 HG12 ILE A 55 -4.771 -6.872 -9.115 1.00 0.00 H new ATOM 0 HG13 ILE A 55 -5.687 -5.585 -9.875 1.00 0.00 H new ATOM 0 HG21 ILE A 55 -3.944 -8.160 -11.883 1.00 0.00 H new ATOM 0 HG22 ILE A 55 -2.436 -7.240 -12.099 1.00 0.00 H new ATOM 0 HG23 ILE A 55 -2.815 -7.969 -10.520 1.00 0.00 H new ATOM 0 HD11 ILE A 55 -6.920 -7.687 -9.928 1.00 0.00 H new ATOM 0 HD12 ILE A 55 -6.512 -7.159 -11.578 1.00 0.00 H new ATOM 0 HD13 ILE A 55 -5.582 -8.465 -10.807 1.00 0.00 H new ATOM 872 N VAL A 56 -0.724 -4.691 -10.832 1.00 0.00 N ATOM 873 CA VAL A 56 0.356 -4.305 -11.683 1.00 0.00 C ATOM 874 C VAL A 56 1.236 -5.484 -12.043 1.00 0.00 C ATOM 875 O VAL A 56 1.977 -5.432 -13.027 1.00 0.00 O ATOM 876 CB VAL A 56 1.174 -3.119 -11.107 1.00 0.00 C ATOM 877 CG1 VAL A 56 0.361 -1.827 -11.183 1.00 0.00 C ATOM 878 CG2 VAL A 56 1.563 -3.391 -9.666 1.00 0.00 C ATOM 0 H VAL A 56 -0.467 -4.837 -9.856 1.00 0.00 H new ATOM 0 HA VAL A 56 -0.091 -3.944 -12.609 1.00 0.00 H new ATOM 0 HB VAL A 56 2.079 -3.008 -11.704 1.00 0.00 H new ATOM 0 HG11 VAL A 56 0.947 -1.004 -10.775 1.00 0.00 H new ATOM 0 HG12 VAL A 56 0.111 -1.615 -12.223 1.00 0.00 H new ATOM 0 HG13 VAL A 56 -0.556 -1.940 -10.605 1.00 0.00 H new ATOM 0 HG21 VAL A 56 2.136 -2.549 -9.279 1.00 0.00 H new ATOM 0 HG22 VAL A 56 0.663 -3.525 -9.065 1.00 0.00 H new ATOM 0 HG23 VAL A 56 2.169 -4.295 -9.617 1.00 0.00 H new ATOM 888 N GLY A 57 1.188 -6.550 -11.258 1.00 0.00 N ATOM 889 CA GLY A 57 1.940 -7.711 -11.658 1.00 0.00 C ATOM 890 C GLY A 57 1.779 -8.883 -10.749 1.00 0.00 C ATOM 891 O GLY A 57 1.132 -8.806 -9.704 1.00 0.00 O ATOM 0 H GLY A 57 0.664 -6.630 -10.387 1.00 0.00 H new ATOM 0 HA2 GLY A 57 1.635 -8.000 -12.664 1.00 0.00 H new ATOM 0 HA3 GLY A 57 2.996 -7.447 -11.709 1.00 0.00 H new ATOM 895 N SER A 58 2.359 -9.964 -11.137 1.00 0.00 N ATOM 896 CA SER A 58 2.365 -11.151 -10.356 1.00 0.00 C ATOM 897 C SER A 58 3.356 -10.932 -9.226 1.00 0.00 C ATOM 898 O SER A 58 4.531 -10.644 -9.508 1.00 0.00 O ATOM 899 CB SER A 58 2.791 -12.297 -11.243 1.00 0.00 C ATOM 900 OG SER A 58 1.910 -12.435 -12.361 1.00 0.00 O ATOM 0 H SER A 58 2.853 -10.050 -12.025 1.00 0.00 H new ATOM 0 HA SER A 58 1.384 -11.384 -9.942 1.00 0.00 H new ATOM 0 HB2 SER A 58 3.809 -12.129 -11.596 1.00 0.00 H new ATOM 0 HB3 SER A 58 2.802 -13.223 -10.667 1.00 0.00 H new ATOM 0 HG SER A 58 2.207 -13.182 -12.921 1.00 0.00 H new ATOM 906 N ASP A 59 2.857 -10.968 -7.956 1.00 0.00 N ATOM 907 CA ASP A 59 3.652 -10.666 -6.768 1.00 0.00 C ATOM 908 C ASP A 59 3.757 -9.127 -6.614 1.00 0.00 C ATOM 909 O ASP A 59 4.430 -8.610 -5.740 1.00 0.00 O ATOM 910 CB ASP A 59 5.045 -11.420 -6.794 1.00 0.00 C ATOM 911 CG ASP A 59 6.139 -10.924 -5.850 1.00 0.00 C ATOM 912 OD1 ASP A 59 6.089 -11.177 -4.628 1.00 0.00 O ATOM 913 OD2 ASP A 59 7.122 -10.303 -6.357 1.00 0.00 O ATOM 0 H ASP A 59 1.888 -11.210 -7.747 1.00 0.00 H new ATOM 0 HA ASP A 59 3.158 -11.046 -5.873 1.00 0.00 H new ATOM 0 HB2 ASP A 59 4.861 -12.471 -6.572 1.00 0.00 H new ATOM 0 HB3 ASP A 59 5.433 -11.372 -7.811 1.00 0.00 H new ATOM 918 N ARG A 60 2.998 -8.394 -7.458 1.00 0.00 N ATOM 919 CA ARG A 60 3.053 -6.939 -7.461 1.00 0.00 C ATOM 920 C ARG A 60 1.625 -6.337 -7.395 1.00 0.00 C ATOM 921 O ARG A 60 0.822 -6.484 -8.338 1.00 0.00 O ATOM 922 CB ARG A 60 3.730 -6.467 -8.748 1.00 0.00 C ATOM 923 CG ARG A 60 4.405 -5.126 -8.627 1.00 0.00 C ATOM 924 CD ARG A 60 5.666 -5.262 -7.811 1.00 0.00 C ATOM 925 NE ARG A 60 6.678 -6.067 -8.524 1.00 0.00 N ATOM 926 CZ ARG A 60 7.222 -7.218 -8.087 1.00 0.00 C ATOM 927 NH1 ARG A 60 6.861 -7.724 -6.929 1.00 0.00 N ATOM 928 NH2 ARG A 60 8.107 -7.864 -8.844 1.00 0.00 N ATOM 0 H ARG A 60 2.349 -8.794 -8.136 1.00 0.00 H new ATOM 0 HA ARG A 60 3.617 -6.608 -6.589 1.00 0.00 H new ATOM 0 HB2 ARG A 60 4.469 -7.209 -9.051 1.00 0.00 H new ATOM 0 HB3 ARG A 60 2.985 -6.417 -9.542 1.00 0.00 H new ATOM 0 HG2 ARG A 60 4.642 -4.737 -9.617 1.00 0.00 H new ATOM 0 HG3 ARG A 60 3.731 -4.410 -8.156 1.00 0.00 H new ATOM 0 HD2 ARG A 60 6.071 -4.273 -7.594 1.00 0.00 H new ATOM 0 HD3 ARG A 60 5.434 -5.729 -6.854 1.00 0.00 H new ATOM 0 HE ARG A 60 6.993 -5.719 -9.430 1.00 0.00 H new ATOM 0 HH11 ARG A 60 6.166 -7.244 -6.357 1.00 0.00 H new ATOM 0 HH12 ARG A 60 7.276 -8.597 -6.602 1.00 0.00 H new ATOM 0 HH21 ARG A 60 8.372 -7.486 -9.754 1.00 0.00 H new ATOM 0 HH22 ARG A 60 8.520 -8.736 -8.514 1.00 0.00 H new ATOM 942 N ALA A 61 1.343 -5.610 -6.339 1.00 0.00 N ATOM 943 CA ALA A 61 0.015 -5.015 -6.116 1.00 0.00 C ATOM 944 C ALA A 61 0.223 -3.565 -5.742 1.00 0.00 C ATOM 945 O ALA A 61 1.369 -3.194 -5.410 1.00 0.00 O ATOM 946 CB ALA A 61 -0.668 -5.741 -4.959 1.00 0.00 C ATOM 0 H ALA A 61 2.017 -5.405 -5.601 1.00 0.00 H new ATOM 0 HA ALA A 61 -0.605 -5.098 -7.009 1.00 0.00 H new ATOM 0 HB1 ALA A 61 -1.653 -5.306 -4.787 1.00 0.00 H new ATOM 0 HB2 ALA A 61 -0.776 -6.797 -5.205 1.00 0.00 H new ATOM 0 HB3 ALA A 61 -0.064 -5.638 -4.058 1.00 0.00 H new ATOM 952 N ILE A 62 -0.810 -2.707 -5.816 1.00 0.00 N ATOM 953 CA ILE A 62 -0.603 -1.365 -5.334 1.00 0.00 C ATOM 954 C ILE A 62 -1.747 -0.938 -4.528 1.00 0.00 C ATOM 955 O ILE A 62 -2.876 -1.428 -4.742 1.00 0.00 O ATOM 956 CB ILE A 62 -0.446 -0.221 -6.422 1.00 0.00 C ATOM 957 CG1 ILE A 62 -1.767 0.578 -6.618 1.00 0.00 C ATOM 958 CG2 ILE A 62 0.032 -0.726 -7.757 1.00 0.00 C ATOM 959 CD1 ILE A 62 -1.577 1.785 -7.471 1.00 0.00 C ATOM 0 H ILE A 62 -1.738 -2.916 -6.185 1.00 0.00 H new ATOM 0 HA ILE A 62 0.341 -1.458 -4.798 1.00 0.00 H new ATOM 0 HB ILE A 62 0.322 0.441 -6.023 1.00 0.00 H new ATOM 0 HG12 ILE A 62 -2.517 -0.070 -7.071 1.00 0.00 H new ATOM 0 HG13 ILE A 62 -2.154 0.881 -5.645 1.00 0.00 H new ATOM 0 HG21 ILE A 62 0.117 0.109 -8.453 1.00 0.00 H new ATOM 0 HG22 ILE A 62 1.006 -1.200 -7.639 1.00 0.00 H new ATOM 0 HG23 ILE A 62 -0.681 -1.453 -8.147 1.00 0.00 H new ATOM 0 HD11 ILE A 62 -2.527 2.308 -7.578 1.00 0.00 H new ATOM 0 HD12 ILE A 62 -0.848 2.448 -7.006 1.00 0.00 H new ATOM 0 HD13 ILE A 62 -1.217 1.483 -8.454 1.00 0.00 H new ATOM 971 N PHE A 63 -1.468 0.034 -3.683 1.00 0.00 N ATOM 972 CA PHE A 63 -2.481 0.837 -3.077 1.00 0.00 C ATOM 973 C PHE A 63 -2.040 2.294 -3.165 1.00 0.00 C ATOM 974 O PHE A 63 -1.072 2.681 -2.569 1.00 0.00 O ATOM 975 CB PHE A 63 -2.903 0.389 -1.644 1.00 0.00 C ATOM 976 CG PHE A 63 -1.895 0.471 -0.520 1.00 0.00 C ATOM 977 CD1 PHE A 63 -0.717 -0.273 -0.541 1.00 0.00 C ATOM 978 CD2 PHE A 63 -2.168 1.247 0.610 1.00 0.00 C ATOM 979 CE1 PHE A 63 0.159 -0.237 0.534 1.00 0.00 C ATOM 980 CE2 PHE A 63 -1.290 1.270 1.657 1.00 0.00 C ATOM 981 CZ PHE A 63 -0.134 0.530 1.624 1.00 0.00 C ATOM 0 H PHE A 63 -0.519 0.282 -3.403 1.00 0.00 H new ATOM 0 HA PHE A 63 -3.409 0.702 -3.633 1.00 0.00 H new ATOM 0 HB2 PHE A 63 -3.767 0.987 -1.354 1.00 0.00 H new ATOM 0 HB3 PHE A 63 -3.239 -0.646 -1.709 1.00 0.00 H new ATOM 0 HD1 PHE A 63 -0.484 -0.883 -1.401 1.00 0.00 H new ATOM 0 HD2 PHE A 63 -3.076 1.830 0.656 1.00 0.00 H new ATOM 0 HE1 PHE A 63 1.071 -0.815 0.508 1.00 0.00 H new ATOM 0 HE2 PHE A 63 -1.508 1.879 2.522 1.00 0.00 H new ATOM 0 HZ PHE A 63 0.545 0.555 2.463 1.00 0.00 H new ATOM 991 N MET A 64 -2.673 3.051 -4.031 1.00 0.00 N ATOM 992 CA MET A 64 -2.331 4.493 -4.185 1.00 0.00 C ATOM 993 C MET A 64 -3.169 5.320 -3.257 1.00 0.00 C ATOM 994 O MET A 64 -4.397 5.385 -3.448 1.00 0.00 O ATOM 995 CB MET A 64 -2.540 5.009 -5.617 1.00 0.00 C ATOM 996 CG MET A 64 -2.243 6.500 -5.764 1.00 0.00 C ATOM 997 SD MET A 64 -2.615 7.152 -7.395 1.00 0.00 S ATOM 998 CE MET A 64 -2.110 8.864 -7.164 1.00 0.00 C ATOM 0 H MET A 64 -3.420 2.722 -4.643 1.00 0.00 H new ATOM 0 HA MET A 64 -1.272 4.585 -3.945 1.00 0.00 H new ATOM 0 HB2 MET A 64 -1.899 4.448 -6.297 1.00 0.00 H new ATOM 0 HB3 MET A 64 -3.570 4.818 -5.919 1.00 0.00 H new ATOM 0 HG2 MET A 64 -2.820 7.051 -5.022 1.00 0.00 H new ATOM 0 HG3 MET A 64 -1.190 6.675 -5.544 1.00 0.00 H new ATOM 0 HE1 MET A 64 -1.763 9.272 -8.113 1.00 0.00 H new ATOM 0 HE2 MET A 64 -2.958 9.448 -6.805 1.00 0.00 H new ATOM 0 HE3 MET A 64 -1.303 8.910 -6.433 1.00 0.00 H new ATOM 1008 N LEU A 65 -2.506 5.987 -2.311 1.00 0.00 N ATOM 1009 CA LEU A 65 -3.172 6.737 -1.256 1.00 0.00 C ATOM 1010 C LEU A 65 -3.409 8.160 -1.639 1.00 0.00 C ATOM 1011 O LEU A 65 -2.592 8.782 -2.368 1.00 0.00 O ATOM 1012 CB LEU A 65 -2.382 6.666 0.063 1.00 0.00 C ATOM 1013 CG LEU A 65 -1.302 7.755 0.401 1.00 0.00 C ATOM 1014 CD1 LEU A 65 -0.735 7.554 1.745 1.00 0.00 C ATOM 1015 CD2 LEU A 65 -0.199 7.757 -0.546 1.00 0.00 C ATOM 0 H LEU A 65 -1.488 6.020 -2.259 1.00 0.00 H new ATOM 0 HA LEU A 65 -4.144 6.268 -1.107 1.00 0.00 H new ATOM 0 HB2 LEU A 65 -3.109 6.670 0.875 1.00 0.00 H new ATOM 0 HB3 LEU A 65 -1.882 5.698 0.088 1.00 0.00 H new ATOM 0 HG LEU A 65 -1.827 8.709 0.348 1.00 0.00 H new ATOM 0 HD11 LEU A 65 0.009 8.325 1.945 1.00 0.00 H new ATOM 0 HD12 LEU A 65 -1.530 7.615 2.488 1.00 0.00 H new ATOM 0 HD13 LEU A 65 -0.263 6.573 1.798 1.00 0.00 H new ATOM 0 HD21 LEU A 65 0.519 8.528 -0.267 1.00 0.00 H new ATOM 0 HD22 LEU A 65 0.291 6.784 -0.536 1.00 0.00 H new ATOM 0 HD23 LEU A 65 -0.579 7.961 -1.547 1.00 0.00 H new ATOM 1027 N ARG A 66 -4.529 8.641 -1.172 1.00 0.00 N ATOM 1028 CA ARG A 66 -4.968 10.024 -1.363 1.00 0.00 C ATOM 1029 C ARG A 66 -5.137 10.844 -0.041 1.00 0.00 C ATOM 1030 O ARG A 66 -4.607 11.951 0.035 1.00 0.00 O ATOM 1031 CB ARG A 66 -6.150 10.106 -2.376 1.00 0.00 C ATOM 1032 CG ARG A 66 -6.835 11.459 -2.557 1.00 0.00 C ATOM 1033 CD ARG A 66 -7.905 11.712 -1.505 1.00 0.00 C ATOM 1034 NE ARG A 66 -8.578 12.993 -1.715 1.00 0.00 N ATOM 1035 CZ ARG A 66 -9.743 13.353 -1.175 1.00 0.00 C ATOM 1036 NH1 ARG A 66 -10.427 12.507 -0.431 1.00 0.00 N ATOM 1037 NH2 ARG A 66 -10.217 14.565 -1.387 1.00 0.00 N ATOM 0 H ARG A 66 -5.188 8.080 -0.633 1.00 0.00 H new ATOM 0 HA ARG A 66 -4.145 10.559 -1.836 1.00 0.00 H new ATOM 0 HB2 ARG A 66 -5.781 9.784 -3.350 1.00 0.00 H new ATOM 0 HB3 ARG A 66 -6.907 9.385 -2.068 1.00 0.00 H new ATOM 0 HG2 ARG A 66 -6.088 12.251 -2.509 1.00 0.00 H new ATOM 0 HG3 ARG A 66 -7.286 11.505 -3.548 1.00 0.00 H new ATOM 0 HD2 ARG A 66 -8.639 10.907 -1.532 1.00 0.00 H new ATOM 0 HD3 ARG A 66 -7.452 11.697 -0.514 1.00 0.00 H new ATOM 0 HE ARG A 66 -8.118 13.668 -2.326 1.00 0.00 H new ATOM 0 HH11 ARG A 66 -10.066 11.568 -0.264 1.00 0.00 H new ATOM 0 HH12 ARG A 66 -11.317 12.792 -0.022 1.00 0.00 H new ATOM 0 HH21 ARG A 66 -9.693 15.224 -1.963 1.00 0.00 H new ATOM 0 HH22 ARG A 66 -11.108 14.843 -0.975 1.00 0.00 H new ATOM 1051 N ASP A 67 -5.923 10.349 0.970 1.00 0.00 N ATOM 1052 CA ASP A 67 -5.982 10.983 2.330 1.00 0.00 C ATOM 1053 C ASP A 67 -4.586 11.413 2.947 1.00 0.00 C ATOM 1054 O ASP A 67 -4.564 12.232 3.848 1.00 0.00 O ATOM 1055 CB ASP A 67 -6.755 10.067 3.320 1.00 0.00 C ATOM 1056 CG ASP A 67 -6.830 10.591 4.745 1.00 0.00 C ATOM 1057 OD1 ASP A 67 -7.519 11.610 4.985 1.00 0.00 O ATOM 1058 OD2 ASP A 67 -6.217 9.979 5.646 1.00 0.00 O ATOM 0 H ASP A 67 -6.516 9.525 0.870 1.00 0.00 H new ATOM 0 HA ASP A 67 -6.517 11.920 2.178 1.00 0.00 H new ATOM 0 HB2 ASP A 67 -7.769 9.925 2.946 1.00 0.00 H new ATOM 0 HB3 ASP A 67 -6.280 9.086 3.333 1.00 0.00 H new ATOM 1063 N GLY A 68 -3.433 10.867 2.481 1.00 0.00 N ATOM 1064 CA GLY A 68 -2.153 11.331 2.997 1.00 0.00 C ATOM 1065 C GLY A 68 -1.711 10.700 4.323 1.00 0.00 C ATOM 1066 O GLY A 68 -0.528 10.601 4.599 1.00 0.00 O ATOM 0 H GLY A 68 -3.378 10.133 1.775 1.00 0.00 H new ATOM 0 HA2 GLY A 68 -1.386 11.136 2.248 1.00 0.00 H new ATOM 0 HA3 GLY A 68 -2.203 12.412 3.127 1.00 0.00 H new ATOM 1070 N SER A 69 -2.638 10.247 5.107 1.00 0.00 N ATOM 1071 CA SER A 69 -2.330 9.820 6.476 1.00 0.00 C ATOM 1072 C SER A 69 -3.029 8.503 6.894 1.00 0.00 C ATOM 1073 O SER A 69 -3.579 8.413 8.001 1.00 0.00 O ATOM 1074 CB SER A 69 -2.759 10.937 7.427 1.00 0.00 C ATOM 1075 OG SER A 69 -2.007 12.130 7.209 1.00 0.00 O ATOM 0 H SER A 69 -3.619 10.155 4.843 1.00 0.00 H new ATOM 0 HA SER A 69 -1.259 9.625 6.523 1.00 0.00 H new ATOM 0 HB2 SER A 69 -3.820 11.145 7.290 1.00 0.00 H new ATOM 0 HB3 SER A 69 -2.629 10.608 8.458 1.00 0.00 H new ATOM 0 HG SER A 69 -2.307 12.824 7.832 1.00 0.00 H new ATOM 1081 N TYR A 70 -2.952 7.462 6.074 1.00 0.00 N ATOM 1082 CA TYR A 70 -3.642 6.227 6.381 1.00 0.00 C ATOM 1083 C TYR A 70 -3.016 4.998 5.698 1.00 0.00 C ATOM 1084 O TYR A 70 -3.464 3.880 5.924 1.00 0.00 O ATOM 1085 CB TYR A 70 -5.165 6.344 6.016 1.00 0.00 C ATOM 1086 CG TYR A 70 -5.529 6.584 4.524 1.00 0.00 C ATOM 1087 CD1 TYR A 70 -4.656 7.208 3.637 1.00 0.00 C ATOM 1088 CD2 TYR A 70 -6.758 6.162 4.011 1.00 0.00 C ATOM 1089 CE1 TYR A 70 -4.988 7.408 2.329 1.00 0.00 C ATOM 1090 CE2 TYR A 70 -7.087 6.376 2.680 1.00 0.00 C ATOM 1091 CZ TYR A 70 -6.189 7.002 1.857 1.00 0.00 C ATOM 1092 OH TYR A 70 -6.512 7.273 0.558 1.00 0.00 O ATOM 0 H TYR A 70 -2.423 7.453 5.202 1.00 0.00 H new ATOM 0 HA TYR A 70 -3.538 6.071 7.455 1.00 0.00 H new ATOM 0 HB2 TYR A 70 -5.660 5.428 6.340 1.00 0.00 H new ATOM 0 HB3 TYR A 70 -5.589 7.160 6.601 1.00 0.00 H new ATOM 0 HD1 TYR A 70 -3.693 7.542 3.993 1.00 0.00 H new ATOM 0 HD2 TYR A 70 -7.462 5.662 4.660 1.00 0.00 H new ATOM 0 HE1 TYR A 70 -4.287 7.894 1.666 1.00 0.00 H new ATOM 0 HE2 TYR A 70 -8.043 6.052 2.296 1.00 0.00 H new ATOM 0 HH TYR A 70 -7.401 7.684 0.521 1.00 0.00 H new ATOM 1102 N ALA A 71 -1.957 5.177 4.919 1.00 0.00 N ATOM 1103 CA ALA A 71 -1.490 4.096 4.087 1.00 0.00 C ATOM 1104 C ALA A 71 -0.538 3.103 4.691 1.00 0.00 C ATOM 1105 O ALA A 71 -0.657 1.931 4.428 1.00 0.00 O ATOM 1106 CB ALA A 71 -0.900 4.612 2.869 1.00 0.00 C ATOM 0 H ALA A 71 -1.421 6.042 4.851 1.00 0.00 H new ATOM 0 HA ALA A 71 -2.404 3.529 3.911 1.00 0.00 H new ATOM 0 HB1 ALA A 71 -0.553 3.782 2.253 1.00 0.00 H new ATOM 0 HB2 ALA A 71 -1.645 5.186 2.318 1.00 0.00 H new ATOM 0 HB3 ALA A 71 -0.057 5.257 3.118 1.00 0.00 H new ATOM 1112 N TRP A 72 0.392 3.499 5.493 1.00 0.00 N ATOM 1113 CA TRP A 72 1.357 2.523 5.880 1.00 0.00 C ATOM 1114 C TRP A 72 0.839 1.610 7.026 1.00 0.00 C ATOM 1115 O TRP A 72 1.331 0.470 7.256 1.00 0.00 O ATOM 1116 CB TRP A 72 2.817 3.076 5.931 1.00 0.00 C ATOM 1117 CG TRP A 72 3.425 3.317 4.495 1.00 0.00 C ATOM 1118 CD1 TRP A 72 4.162 2.412 3.752 1.00 0.00 C ATOM 1119 CD2 TRP A 72 3.341 4.511 3.642 1.00 0.00 C ATOM 1120 NE1 TRP A 72 4.527 2.958 2.523 1.00 0.00 N ATOM 1121 CE2 TRP A 72 4.047 4.221 2.428 1.00 0.00 C ATOM 1122 CE3 TRP A 72 2.758 5.777 3.760 1.00 0.00 C ATOM 1123 CZ2 TRP A 72 4.164 5.156 1.371 1.00 0.00 C ATOM 1124 CZ3 TRP A 72 2.896 6.666 2.707 1.00 0.00 C ATOM 1125 CH2 TRP A 72 3.594 6.325 1.536 1.00 0.00 C ATOM 0 H TRP A 72 0.506 4.437 5.877 1.00 0.00 H new ATOM 0 HA TRP A 72 1.478 1.796 5.077 1.00 0.00 H new ATOM 0 HB2 TRP A 72 2.827 4.013 6.488 1.00 0.00 H new ATOM 0 HB3 TRP A 72 3.449 2.374 6.476 1.00 0.00 H new ATOM 0 HD1 TRP A 72 4.420 1.416 4.080 1.00 0.00 H new ATOM 0 HE1 TRP A 72 5.072 2.480 1.805 1.00 0.00 H new ATOM 0 HE3 TRP A 72 2.214 6.054 4.650 1.00 0.00 H new ATOM 0 HZ2 TRP A 72 4.701 4.916 0.465 1.00 0.00 H new ATOM 0 HZ3 TRP A 72 2.455 7.649 2.788 1.00 0.00 H new ATOM 0 HH2 TRP A 72 3.664 7.054 0.742 1.00 0.00 H new ATOM 1136 N GLU A 73 -0.257 2.059 7.646 1.00 0.00 N ATOM 1137 CA GLU A 73 -1.022 1.190 8.521 1.00 0.00 C ATOM 1138 C GLU A 73 -1.749 0.169 7.611 1.00 0.00 C ATOM 1139 O GLU A 73 -1.819 -1.073 7.910 1.00 0.00 O ATOM 1140 CB GLU A 73 -2.038 1.967 9.425 1.00 0.00 C ATOM 1141 CG GLU A 73 -1.431 2.893 10.486 1.00 0.00 C ATOM 1142 CD GLU A 73 -0.642 4.047 9.921 1.00 0.00 C ATOM 1143 OE1 GLU A 73 -1.248 4.955 9.294 1.00 0.00 O ATOM 1144 OE2 GLU A 73 0.595 4.081 10.100 1.00 0.00 O ATOM 0 H GLU A 73 -0.624 3.006 7.555 1.00 0.00 H new ATOM 0 HA GLU A 73 -0.349 0.694 9.220 1.00 0.00 H new ATOM 0 HB2 GLU A 73 -2.684 2.562 8.780 1.00 0.00 H new ATOM 0 HB3 GLU A 73 -2.674 1.239 9.929 1.00 0.00 H new ATOM 0 HG2 GLU A 73 -2.233 3.287 11.110 1.00 0.00 H new ATOM 0 HG3 GLU A 73 -0.781 2.306 11.135 1.00 0.00 H new ATOM 1151 N ILE A 74 -2.198 0.672 6.419 1.00 0.00 N ATOM 1152 CA ILE A 74 -2.805 -0.182 5.440 1.00 0.00 C ATOM 1153 C ILE A 74 -1.798 -1.296 5.080 1.00 0.00 C ATOM 1154 O ILE A 74 -2.163 -2.483 5.073 1.00 0.00 O ATOM 1155 CB ILE A 74 -3.317 0.551 4.126 1.00 0.00 C ATOM 1156 CG1 ILE A 74 -4.542 1.406 4.321 1.00 0.00 C ATOM 1157 CG2 ILE A 74 -3.690 -0.468 3.147 1.00 0.00 C ATOM 1158 CD1 ILE A 74 -4.843 2.318 3.156 1.00 0.00 C ATOM 0 H ILE A 74 -2.136 1.654 6.150 1.00 0.00 H new ATOM 0 HA ILE A 74 -3.711 -0.585 5.893 1.00 0.00 H new ATOM 0 HB ILE A 74 -2.499 1.199 3.812 1.00 0.00 H new ATOM 0 HG12 ILE A 74 -5.401 0.758 4.494 1.00 0.00 H new ATOM 0 HG13 ILE A 74 -4.412 2.010 5.219 1.00 0.00 H new ATOM 0 HG21 ILE A 74 -4.045 0.015 2.236 1.00 0.00 H new ATOM 0 HG22 ILE A 74 -2.822 -1.085 2.916 1.00 0.00 H new ATOM 0 HG23 ILE A 74 -4.482 -1.094 3.558 1.00 0.00 H new ATOM 0 HD11 ILE A 74 -5.739 2.901 3.372 1.00 0.00 H new ATOM 0 HD12 ILE A 74 -4.002 2.992 2.995 1.00 0.00 H new ATOM 0 HD13 ILE A 74 -5.006 1.721 2.259 1.00 0.00 H new ATOM 1170 N LYS A 75 -0.499 -0.882 4.911 1.00 0.00 N ATOM 1171 CA LYS A 75 0.636 -1.765 4.616 1.00 0.00 C ATOM 1172 C LYS A 75 0.670 -2.885 5.614 1.00 0.00 C ATOM 1173 O LYS A 75 0.665 -4.089 5.251 1.00 0.00 O ATOM 1174 CB LYS A 75 1.949 -0.950 4.706 1.00 0.00 C ATOM 1175 CG LYS A 75 3.234 -1.774 4.742 1.00 0.00 C ATOM 1176 CD LYS A 75 4.479 -0.891 4.901 1.00 0.00 C ATOM 1177 CE LYS A 75 4.575 -0.239 6.280 1.00 0.00 C ATOM 1178 NZ LYS A 75 4.952 -1.198 7.340 1.00 0.00 N ATOM 0 H LYS A 75 -0.228 0.099 4.982 1.00 0.00 H new ATOM 0 HA LYS A 75 0.530 -2.179 3.613 1.00 0.00 H new ATOM 0 HB2 LYS A 75 1.996 -0.274 3.852 1.00 0.00 H new ATOM 0 HB3 LYS A 75 1.911 -0.330 5.602 1.00 0.00 H new ATOM 0 HG2 LYS A 75 3.186 -2.485 5.567 1.00 0.00 H new ATOM 0 HG3 LYS A 75 3.317 -2.356 3.824 1.00 0.00 H new ATOM 0 HD2 LYS A 75 5.370 -1.494 4.727 1.00 0.00 H new ATOM 0 HD3 LYS A 75 4.466 -0.113 4.137 1.00 0.00 H new ATOM 0 HE2 LYS A 75 5.309 0.566 6.246 1.00 0.00 H new ATOM 0 HE3 LYS A 75 3.616 0.214 6.530 1.00 0.00 H new ATOM 0 HZ1 LYS A 75 5.003 -0.704 8.254 1.00 0.00 H new ATOM 0 HZ2 LYS A 75 4.239 -1.953 7.394 1.00 0.00 H new ATOM 0 HZ3 LYS A 75 5.880 -1.613 7.119 1.00 0.00 H new ATOM 1192 N ASP A 76 0.642 -2.499 6.866 1.00 0.00 N ATOM 1193 CA ASP A 76 0.667 -3.471 7.932 1.00 0.00 C ATOM 1194 C ASP A 76 -0.508 -4.459 7.832 1.00 0.00 C ATOM 1195 O ASP A 76 -0.304 -5.669 8.016 1.00 0.00 O ATOM 1196 CB ASP A 76 0.662 -2.791 9.295 1.00 0.00 C ATOM 1197 CG ASP A 76 0.859 -3.766 10.435 1.00 0.00 C ATOM 1198 OD1 ASP A 76 2.022 -4.043 10.790 1.00 0.00 O ATOM 1199 OD2 ASP A 76 -0.137 -4.253 11.010 1.00 0.00 O ATOM 0 H ASP A 76 0.602 -1.526 7.171 1.00 0.00 H new ATOM 0 HA ASP A 76 1.593 -4.035 7.825 1.00 0.00 H new ATOM 0 HB2 ASP A 76 1.451 -2.040 9.324 1.00 0.00 H new ATOM 0 HB3 ASP A 76 -0.283 -2.266 9.431 1.00 0.00 H new ATOM 1204 N PHE A 77 -1.694 -3.987 7.371 1.00 0.00 N ATOM 1205 CA PHE A 77 -2.878 -4.843 7.481 1.00 0.00 C ATOM 1206 C PHE A 77 -2.766 -5.899 6.471 1.00 0.00 C ATOM 1207 O PHE A 77 -2.726 -7.083 6.765 1.00 0.00 O ATOM 1208 CB PHE A 77 -4.239 -4.164 7.168 1.00 0.00 C ATOM 1209 CG PHE A 77 -4.589 -2.881 7.856 1.00 0.00 C ATOM 1210 CD1 PHE A 77 -4.383 -2.712 9.211 1.00 0.00 C ATOM 1211 CD2 PHE A 77 -5.157 -1.837 7.124 1.00 0.00 C ATOM 1212 CE1 PHE A 77 -4.728 -1.527 9.834 1.00 0.00 C ATOM 1213 CE2 PHE A 77 -5.506 -0.653 7.746 1.00 0.00 C ATOM 1214 CZ PHE A 77 -5.290 -0.498 9.101 1.00 0.00 C ATOM 0 H PHE A 77 -1.843 -3.072 6.945 1.00 0.00 H new ATOM 0 HA PHE A 77 -2.887 -5.167 8.522 1.00 0.00 H new ATOM 0 HB2 PHE A 77 -4.275 -3.981 6.094 1.00 0.00 H new ATOM 0 HB3 PHE A 77 -5.025 -4.884 7.396 1.00 0.00 H new ATOM 0 HD1 PHE A 77 -3.948 -3.513 9.790 1.00 0.00 H new ATOM 0 HD2 PHE A 77 -5.325 -1.955 6.064 1.00 0.00 H new ATOM 0 HE1 PHE A 77 -4.558 -1.405 10.894 1.00 0.00 H new ATOM 0 HE2 PHE A 77 -5.947 0.149 7.173 1.00 0.00 H new ATOM 0 HZ PHE A 77 -5.560 0.427 9.588 1.00 0.00 H new ATOM 1224 N LEU A 78 -2.653 -5.467 5.268 1.00 0.00 N ATOM 1225 CA LEU A 78 -2.758 -6.356 4.192 1.00 0.00 C ATOM 1226 C LEU A 78 -1.580 -7.333 4.114 1.00 0.00 C ATOM 1227 O LEU A 78 -1.786 -8.569 3.834 1.00 0.00 O ATOM 1228 CB LEU A 78 -3.015 -5.625 2.905 1.00 0.00 C ATOM 1229 CG LEU A 78 -1.854 -5.061 2.162 1.00 0.00 C ATOM 1230 CD1 LEU A 78 -2.286 -4.544 0.871 1.00 0.00 C ATOM 1231 CD2 LEU A 78 -1.085 -4.051 2.870 1.00 0.00 C ATOM 0 H LEU A 78 -2.487 -4.494 5.012 1.00 0.00 H new ATOM 0 HA LEU A 78 -3.630 -6.984 4.372 1.00 0.00 H new ATOM 0 HB2 LEU A 78 -3.537 -6.308 2.235 1.00 0.00 H new ATOM 0 HB3 LEU A 78 -3.700 -4.805 3.121 1.00 0.00 H new ATOM 0 HG LEU A 78 -1.170 -5.900 2.038 1.00 0.00 H new ATOM 0 HD11 LEU A 78 -1.428 -4.134 0.338 1.00 0.00 H new ATOM 0 HD12 LEU A 78 -2.726 -5.351 0.285 1.00 0.00 H new ATOM 0 HD13 LEU A 78 -3.027 -3.759 1.023 1.00 0.00 H new ATOM 0 HD21 LEU A 78 -0.265 -3.709 2.239 1.00 0.00 H new ATOM 0 HD22 LEU A 78 -1.730 -3.207 3.115 1.00 0.00 H new ATOM 0 HD23 LEU A 78 -0.682 -4.478 3.788 1.00 0.00 H new ATOM 1243 N VAL A 79 -0.358 -6.875 4.468 1.00 0.00 N ATOM 1244 CA VAL A 79 0.723 -7.808 4.389 1.00 0.00 C ATOM 1245 C VAL A 79 0.708 -8.743 5.575 1.00 0.00 C ATOM 1246 O VAL A 79 1.241 -9.850 5.530 1.00 0.00 O ATOM 1247 CB VAL A 79 2.116 -7.209 4.063 1.00 0.00 C ATOM 1248 CG1 VAL A 79 2.058 -6.453 2.747 1.00 0.00 C ATOM 1249 CG2 VAL A 79 2.699 -6.349 5.182 1.00 0.00 C ATOM 0 H VAL A 79 -0.131 -5.933 4.785 1.00 0.00 H new ATOM 0 HA VAL A 79 0.535 -8.403 3.495 1.00 0.00 H new ATOM 0 HB VAL A 79 2.805 -8.048 3.968 1.00 0.00 H new ATOM 0 HG11 VAL A 79 3.040 -6.035 2.524 1.00 0.00 H new ATOM 0 HG12 VAL A 79 1.764 -7.134 1.949 1.00 0.00 H new ATOM 0 HG13 VAL A 79 1.329 -5.646 2.823 1.00 0.00 H new ATOM 0 HG21 VAL A 79 3.673 -5.967 4.877 1.00 0.00 H new ATOM 0 HG22 VAL A 79 2.029 -5.513 5.385 1.00 0.00 H new ATOM 0 HG23 VAL A 79 2.811 -6.952 6.083 1.00 0.00 H new ATOM 1259 N SER A 80 0.038 -8.340 6.638 1.00 0.00 N ATOM 1260 CA SER A 80 -0.191 -9.252 7.690 1.00 0.00 C ATOM 1261 C SER A 80 -1.575 -9.891 7.504 1.00 0.00 C ATOM 1262 O SER A 80 -2.022 -10.676 8.342 1.00 0.00 O ATOM 1263 CB SER A 80 -0.078 -8.539 9.029 1.00 0.00 C ATOM 1264 OG SER A 80 1.210 -7.921 9.163 1.00 0.00 O ATOM 0 H SER A 80 -0.341 -7.403 6.775 1.00 0.00 H new ATOM 0 HA SER A 80 0.560 -10.042 7.675 1.00 0.00 H new ATOM 0 HB2 SER A 80 -0.860 -7.785 9.113 1.00 0.00 H new ATOM 0 HB3 SER A 80 -0.233 -9.250 9.840 1.00 0.00 H new ATOM 0 HG SER A 80 1.168 -7.001 8.827 1.00 0.00 H new ATOM 1270 N GLN A 81 -2.256 -9.586 6.363 1.00 0.00 N ATOM 1271 CA GLN A 81 -3.606 -10.101 6.169 1.00 0.00 C ATOM 1272 C GLN A 81 -3.482 -11.415 5.510 1.00 0.00 C ATOM 1273 O GLN A 81 -4.157 -12.381 5.866 1.00 0.00 O ATOM 1274 CB GLN A 81 -4.439 -9.168 5.275 1.00 0.00 C ATOM 1275 CG GLN A 81 -5.933 -9.438 5.284 1.00 0.00 C ATOM 1276 CD GLN A 81 -6.582 -9.086 6.614 1.00 0.00 C ATOM 1277 OE1 GLN A 81 -6.051 -8.101 7.292 1.00 0.00 O flip ATOM 1278 NE2 GLN A 81 -7.569 -9.694 7.014 1.00 0.00 N flip ATOM 0 H GLN A 81 -1.895 -9.009 5.603 1.00 0.00 H new ATOM 0 HA GLN A 81 -4.110 -10.176 7.133 1.00 0.00 H new ATOM 0 HB2 GLN A 81 -4.269 -8.139 5.591 1.00 0.00 H new ATOM 0 HB3 GLN A 81 -4.076 -9.251 4.251 1.00 0.00 H new ATOM 0 HG2 GLN A 81 -6.407 -8.863 4.489 1.00 0.00 H new ATOM 0 HG3 GLN A 81 -6.110 -10.491 5.065 1.00 0.00 H new ATOM 0 HE21 GLN A 81 -7.957 -10.457 6.460 1.00 0.00 H new ATOM 0 HE22 GLN A 81 -8.002 -9.436 7.901 1.00 0.00 H new ATOM 1287 N ASP A 82 -2.593 -11.460 4.564 1.00 0.00 N ATOM 1288 CA ASP A 82 -2.370 -12.713 3.845 1.00 0.00 C ATOM 1289 C ASP A 82 -0.880 -13.016 3.522 1.00 0.00 C ATOM 1290 O ASP A 82 -0.234 -13.710 4.320 1.00 0.00 O ATOM 1291 CB ASP A 82 -3.409 -12.973 2.699 1.00 0.00 C ATOM 1292 CG ASP A 82 -3.176 -14.268 1.950 1.00 0.00 C ATOM 1293 OD1 ASP A 82 -3.717 -15.334 2.375 1.00 0.00 O ATOM 1294 OD2 ASP A 82 -2.493 -14.262 0.939 1.00 0.00 O ATOM 0 H ASP A 82 -2.015 -10.674 4.265 1.00 0.00 H new ATOM 0 HA ASP A 82 -2.599 -13.505 4.558 1.00 0.00 H new ATOM 0 HB2 ASP A 82 -4.412 -12.986 3.126 1.00 0.00 H new ATOM 0 HB3 ASP A 82 -3.373 -12.143 1.993 1.00 0.00 H new ATOM 1299 N ARG A 83 -0.300 -12.524 2.419 1.00 0.00 N ATOM 1300 CA ARG A 83 1.115 -12.751 2.170 1.00 0.00 C ATOM 1301 C ARG A 83 1.891 -11.428 2.319 1.00 0.00 C ATOM 1302 O ARG A 83 1.280 -10.360 2.316 1.00 0.00 O ATOM 1303 CB ARG A 83 1.303 -13.349 0.785 1.00 0.00 C ATOM 1304 CG ARG A 83 0.548 -14.637 0.557 1.00 0.00 C ATOM 1305 CD ARG A 83 0.982 -15.734 1.502 1.00 0.00 C ATOM 1306 NE ARG A 83 0.078 -16.877 1.416 1.00 0.00 N ATOM 1307 CZ ARG A 83 0.352 -18.126 1.784 1.00 0.00 C ATOM 1308 NH1 ARG A 83 1.566 -18.467 2.207 1.00 0.00 N ATOM 1309 NH2 ARG A 83 -0.602 -19.039 1.706 1.00 0.00 N ATOM 0 H ARG A 83 -0.782 -11.979 1.704 1.00 0.00 H new ATOM 0 HA ARG A 83 1.508 -13.457 2.901 1.00 0.00 H new ATOM 0 HB2 ARG A 83 0.986 -12.619 0.041 1.00 0.00 H new ATOM 0 HB3 ARG A 83 2.365 -13.530 0.621 1.00 0.00 H new ATOM 0 HG2 ARG A 83 -0.520 -14.456 0.681 1.00 0.00 H new ATOM 0 HG3 ARG A 83 0.699 -14.966 -0.471 1.00 0.00 H new ATOM 0 HD2 ARG A 83 1.997 -16.048 1.260 1.00 0.00 H new ATOM 0 HD3 ARG A 83 1.000 -15.355 2.524 1.00 0.00 H new ATOM 0 HE ARG A 83 -0.853 -16.701 1.038 1.00 0.00 H new ATOM 0 HH11 ARG A 83 2.305 -17.766 2.253 1.00 0.00 H new ATOM 0 HH12 ARG A 83 1.757 -19.430 2.485 1.00 0.00 H new ATOM 0 HH21 ARG A 83 -1.529 -18.780 1.368 1.00 0.00 H new ATOM 0 HH22 ARG A 83 -0.411 -20.002 1.984 1.00 0.00 H new ATOM 1323 N CYS A 84 3.218 -11.501 2.420 1.00 0.00 N ATOM 1324 CA CYS A 84 4.055 -10.338 2.694 1.00 0.00 C ATOM 1325 C CYS A 84 5.540 -10.567 2.276 1.00 0.00 C ATOM 1326 O CYS A 84 6.038 -11.691 2.294 1.00 0.00 O ATOM 1327 CB CYS A 84 3.970 -10.026 4.201 1.00 0.00 C ATOM 1328 SG CYS A 84 4.446 -11.398 5.285 1.00 0.00 S ATOM 0 H CYS A 84 3.741 -12.370 2.314 1.00 0.00 H new ATOM 0 HA CYS A 84 3.689 -9.498 2.103 1.00 0.00 H new ATOM 0 HB2 CYS A 84 4.610 -9.170 4.418 1.00 0.00 H new ATOM 0 HB3 CYS A 84 2.949 -9.729 4.440 1.00 0.00 H new ATOM 0 HG CYS A 84 4.340 -11.027 6.526 1.00 0.00 H new ATOM 1334 N ALA A 85 6.200 -9.498 1.866 1.00 0.00 N ATOM 1335 CA ALA A 85 7.632 -9.468 1.545 1.00 0.00 C ATOM 1336 C ALA A 85 8.185 -8.043 1.504 1.00 0.00 C ATOM 1337 O ALA A 85 9.159 -7.745 2.205 1.00 0.00 O ATOM 1338 CB ALA A 85 7.997 -10.181 0.231 1.00 0.00 C ATOM 0 H ALA A 85 5.747 -8.593 1.740 1.00 0.00 H new ATOM 0 HA ALA A 85 8.097 -10.021 2.361 1.00 0.00 H new ATOM 0 HB1 ALA A 85 9.072 -10.113 0.067 1.00 0.00 H new ATOM 0 HB2 ALA A 85 7.704 -11.229 0.292 1.00 0.00 H new ATOM 0 HB3 ALA A 85 7.473 -9.706 -0.598 1.00 0.00 H new ATOM 1344 N GLU A 86 7.581 -7.147 0.708 1.00 0.00 N ATOM 1345 CA GLU A 86 8.212 -5.867 0.463 1.00 0.00 C ATOM 1346 C GLU A 86 7.217 -4.768 0.086 1.00 0.00 C ATOM 1347 O GLU A 86 6.489 -4.902 -0.867 1.00 0.00 O ATOM 1348 CB GLU A 86 9.226 -6.056 -0.652 1.00 0.00 C ATOM 1349 CG GLU A 86 9.891 -4.803 -1.130 1.00 0.00 C ATOM 1350 CD GLU A 86 10.831 -5.078 -2.253 1.00 0.00 C ATOM 1351 OE1 GLU A 86 10.374 -5.319 -3.377 1.00 0.00 O ATOM 1352 OE2 GLU A 86 12.060 -5.060 -2.027 1.00 0.00 O ATOM 0 H GLU A 86 6.685 -7.289 0.242 1.00 0.00 H new ATOM 0 HA GLU A 86 8.688 -5.537 1.386 1.00 0.00 H new ATOM 0 HB2 GLU A 86 9.995 -6.748 -0.308 1.00 0.00 H new ATOM 0 HB3 GLU A 86 8.727 -6.529 -1.498 1.00 0.00 H new ATOM 0 HG2 GLU A 86 9.134 -4.089 -1.454 1.00 0.00 H new ATOM 0 HG3 GLU A 86 10.433 -4.340 -0.305 1.00 0.00 H new ATOM 1359 N VAL A 87 7.203 -3.697 0.824 1.00 0.00 N ATOM 1360 CA VAL A 87 6.400 -2.537 0.469 1.00 0.00 C ATOM 1361 C VAL A 87 7.351 -1.406 0.094 1.00 0.00 C ATOM 1362 O VAL A 87 8.012 -0.825 0.961 1.00 0.00 O ATOM 1363 CB VAL A 87 5.467 -2.093 1.633 1.00 0.00 C ATOM 1364 CG1 VAL A 87 4.590 -0.885 1.239 1.00 0.00 C ATOM 1365 CG2 VAL A 87 4.597 -3.265 2.073 1.00 0.00 C ATOM 0 H VAL A 87 7.739 -3.591 1.685 1.00 0.00 H new ATOM 0 HA VAL A 87 5.753 -2.795 -0.369 1.00 0.00 H new ATOM 0 HB VAL A 87 6.095 -1.777 2.465 1.00 0.00 H new ATOM 0 HG11 VAL A 87 3.954 -0.607 2.080 1.00 0.00 H new ATOM 0 HG12 VAL A 87 5.229 -0.043 0.974 1.00 0.00 H new ATOM 0 HG13 VAL A 87 3.967 -1.151 0.385 1.00 0.00 H new ATOM 0 HG21 VAL A 87 3.946 -2.949 2.888 1.00 0.00 H new ATOM 0 HG22 VAL A 87 3.990 -3.603 1.233 1.00 0.00 H new ATOM 0 HG23 VAL A 87 5.233 -4.083 2.413 1.00 0.00 H new ATOM 1375 N THR A 88 7.466 -1.143 -1.177 1.00 0.00 N ATOM 1376 CA THR A 88 8.380 -0.142 -1.669 1.00 0.00 C ATOM 1377 C THR A 88 7.681 1.024 -2.278 1.00 0.00 C ATOM 1378 O THR A 88 6.549 0.867 -2.823 1.00 0.00 O ATOM 1379 CB THR A 88 9.378 -0.688 -2.652 1.00 0.00 C ATOM 1380 OG1 THR A 88 8.720 -1.561 -3.600 1.00 0.00 O ATOM 1381 CG2 THR A 88 10.492 -1.400 -1.942 1.00 0.00 C ATOM 0 H THR A 88 6.930 -1.615 -1.905 1.00 0.00 H new ATOM 0 HA THR A 88 8.919 0.195 -0.784 1.00 0.00 H new ATOM 0 HB THR A 88 9.816 0.145 -3.202 1.00 0.00 H new ATOM 0 HG1 THR A 88 7.773 -1.317 -3.667 1.00 0.00 H new ATOM 0 HG21 THR A 88 11.202 -1.786 -2.674 1.00 0.00 H new ATOM 0 HG22 THR A 88 11.001 -0.705 -1.275 1.00 0.00 H new ATOM 0 HG23 THR A 88 10.083 -2.227 -1.361 1.00 0.00 H new ATOM 1389 N LEU A 89 8.332 2.195 -2.139 1.00 0.00 N ATOM 1390 CA LEU A 89 7.846 3.472 -2.594 1.00 0.00 C ATOM 1391 C LEU A 89 8.734 4.482 -3.280 1.00 0.00 C ATOM 1392 O LEU A 89 9.966 4.472 -3.211 1.00 0.00 O ATOM 1393 CB LEU A 89 6.580 4.054 -1.956 1.00 0.00 C ATOM 1394 CG LEU A 89 5.337 3.637 -2.599 1.00 0.00 C ATOM 1395 CD1 LEU A 89 4.408 4.727 -2.516 1.00 0.00 C ATOM 1396 CD2 LEU A 89 5.598 3.300 -4.000 1.00 0.00 C ATOM 0 H LEU A 89 9.244 2.259 -1.687 1.00 0.00 H new ATOM 0 HA LEU A 89 7.524 2.947 -3.493 1.00 0.00 H new ATOM 0 HB2 LEU A 89 6.549 3.761 -0.907 1.00 0.00 H new ATOM 0 HB3 LEU A 89 6.641 5.142 -1.982 1.00 0.00 H new ATOM 0 HG LEU A 89 4.925 2.757 -2.104 1.00 0.00 H new ATOM 0 HD11 LEU A 89 3.469 4.442 -2.990 1.00 0.00 H new ATOM 0 HD12 LEU A 89 4.227 4.972 -1.469 1.00 0.00 H new ATOM 0 HD13 LEU A 89 4.822 5.597 -3.026 1.00 0.00 H new ATOM 0 HD21 LEU A 89 4.669 2.989 -4.478 1.00 0.00 H new ATOM 0 HD22 LEU A 89 5.997 4.173 -4.516 1.00 0.00 H new ATOM 0 HD23 LEU A 89 6.322 2.487 -4.050 1.00 0.00 H new