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 Single : A 16 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 17 THR OG1 : rot 180:sc= 0 USER MOD Single : A 19 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Single : A 20 MET CE :methyl -172:sc= -11! (180deg=-11.6!) USER MOD Single : A 23 THR OG1 : rot 180:sc= 0 USER MOD Single : A 25 SER OG : rot 180:sc= 0 USER MOD Single : A 27 ASN : amide:sc= 1.17 K(o=1.2,f=-0.18) USER MOD Single : A 29 THR OG1 : rot 180:sc=-0.00647 USER MOD Single : A 31 LYS NZ :NH3+ 149:sc= 2.43 (180deg=1.23) USER MOD Single : A 33 THR OG1 : rot -139:sc= 0.873 USER MOD Single : A 37 THR OG1 : rot -85:sc= 0.673 USER MOD Single : A 38 SER OG : rot -80:sc= 0.774 USER MOD Single : A 41 GLN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 43 SER OG : rot -94:sc= 1.3 USER MOD Single : A 46 ASN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 48 ASN : amide:sc= -0.363 X(o=-0.36,f=-0.47) USER MOD Single : A 49 TYR OH : rot 180:sc= 0 USER MOD Single : A 52 GLN : amide:sc= -0.0989 X(o=-0.099,f=-0.18) USER MOD Single : A 58 SER OG : rot 180:sc= 0.132 USER MOD Single : A 64 MET CE :methyl 163:sc= -0.448 (180deg=-1.27) USER MOD Single : A 69 SER OG : rot 180:sc= 0 USER MOD Single : A 70 TYR OH : rot 55:sc= 1.53 USER MOD Single : A 75 LYS NZ :NH3+ 170:sc=-0.00326 (180deg=-0.0945) USER MOD Single : A 80 SER OG : rot 87:sc= 1.16 USER MOD Single : A 81 GLN : amide:sc= -1.1 K(o=-1.1,f=-0.24) USER MOD Single : A 84 CYS SG : rot 180:sc= 0 USER MOD Single : A 88 THR OG1 : rot 5:sc= 1.21 USER MOD ----------------------------------------------------------------- ATOM 233 N LYS A 16 -0.799 14.352 0.183 1.00 0.00 N ATOM 234 CA LYS A 16 -0.038 14.053 -1.012 1.00 0.00 C ATOM 235 C LYS A 16 -0.536 12.731 -1.626 1.00 0.00 C ATOM 236 O LYS A 16 -0.770 11.749 -0.904 1.00 0.00 O ATOM 237 CB LYS A 16 1.455 13.951 -0.651 1.00 0.00 C ATOM 238 CG LYS A 16 2.411 13.782 -1.830 1.00 0.00 C ATOM 239 CD LYS A 16 2.488 15.015 -2.707 1.00 0.00 C ATOM 240 CE LYS A 16 3.516 14.808 -3.811 1.00 0.00 C ATOM 241 NZ LYS A 16 3.711 16.011 -4.636 1.00 0.00 N ATOM 0 HA LYS A 16 -0.172 14.849 -1.745 1.00 0.00 H new ATOM 0 HB2 LYS A 16 1.739 14.849 -0.102 1.00 0.00 H new ATOM 0 HB3 LYS A 16 1.589 13.107 0.026 1.00 0.00 H new ATOM 0 HG2 LYS A 16 3.407 13.547 -1.453 1.00 0.00 H new ATOM 0 HG3 LYS A 16 2.090 12.933 -2.433 1.00 0.00 H new ATOM 0 HD2 LYS A 16 1.511 15.222 -3.143 1.00 0.00 H new ATOM 0 HD3 LYS A 16 2.759 15.883 -2.105 1.00 0.00 H new ATOM 0 HE2 LYS A 16 4.468 14.519 -3.366 1.00 0.00 H new ATOM 0 HE3 LYS A 16 3.198 13.983 -4.448 1.00 0.00 H new ATOM 0 HZ1 LYS A 16 4.420 15.816 -5.372 1.00 0.00 H new ATOM 0 HZ2 LYS A 16 2.810 16.274 -5.084 1.00 0.00 H new ATOM 0 HZ3 LYS A 16 4.041 16.794 -4.036 1.00 0.00 H new ATOM 255 N THR A 17 -0.752 12.722 -2.926 1.00 0.00 N ATOM 256 CA THR A 17 -1.125 11.507 -3.630 1.00 0.00 C ATOM 257 C THR A 17 0.135 10.592 -3.676 1.00 0.00 C ATOM 258 O THR A 17 1.171 11.003 -4.205 1.00 0.00 O ATOM 259 CB THR A 17 -1.602 11.865 -5.071 1.00 0.00 C ATOM 260 OG1 THR A 17 -2.590 12.925 -5.016 1.00 0.00 O ATOM 261 CG2 THR A 17 -2.236 10.668 -5.758 1.00 0.00 C ATOM 0 H THR A 17 -0.676 13.547 -3.521 1.00 0.00 H new ATOM 0 HA THR A 17 -1.942 10.992 -3.125 1.00 0.00 H new ATOM 0 HB THR A 17 -0.725 12.182 -5.635 1.00 0.00 H new ATOM 0 HG1 THR A 17 -2.884 13.146 -5.924 1.00 0.00 H new ATOM 0 HG21 THR A 17 -2.557 10.952 -6.760 1.00 0.00 H new ATOM 0 HG22 THR A 17 -1.508 9.860 -5.826 1.00 0.00 H new ATOM 0 HG23 THR A 17 -3.098 10.332 -5.182 1.00 0.00 H new ATOM 269 N LEU A 18 0.047 9.380 -3.118 1.00 0.00 N ATOM 270 CA LEU A 18 1.245 8.524 -2.942 1.00 0.00 C ATOM 271 C LEU A 18 0.956 7.134 -3.549 1.00 0.00 C ATOM 272 O LEU A 18 0.078 6.444 -3.117 1.00 0.00 O ATOM 273 CB LEU A 18 1.521 8.431 -1.404 1.00 0.00 C ATOM 274 CG LEU A 18 2.959 8.243 -0.831 1.00 0.00 C ATOM 275 CD1 LEU A 18 3.607 6.907 -1.061 1.00 0.00 C ATOM 276 CD2 LEU A 18 3.885 9.383 -1.167 1.00 0.00 C ATOM 0 H LEU A 18 -0.823 8.966 -2.782 1.00 0.00 H new ATOM 0 HA LEU A 18 2.121 8.933 -3.446 1.00 0.00 H new ATOM 0 HB2 LEU A 18 1.122 9.342 -0.958 1.00 0.00 H new ATOM 0 HB3 LEU A 18 0.922 7.602 -1.027 1.00 0.00 H new ATOM 0 HG LEU A 18 2.780 8.260 0.244 1.00 0.00 H new ATOM 0 HD11 LEU A 18 4.602 6.904 -0.615 1.00 0.00 H new ATOM 0 HD12 LEU A 18 3.001 6.125 -0.603 1.00 0.00 H new ATOM 0 HD13 LEU A 18 3.689 6.722 -2.132 1.00 0.00 H new ATOM 0 HD21 LEU A 18 4.869 9.191 -0.739 1.00 0.00 H new ATOM 0 HD22 LEU A 18 3.972 9.474 -2.250 1.00 0.00 H new ATOM 0 HD23 LEU A 18 3.485 10.310 -0.755 1.00 0.00 H new ATOM 288 N MET A 19 1.654 6.779 -4.563 1.00 0.00 N ATOM 289 CA MET A 19 1.466 5.472 -5.258 1.00 0.00 C ATOM 290 C MET A 19 2.291 4.395 -4.583 1.00 0.00 C ATOM 291 O MET A 19 3.517 4.372 -4.730 1.00 0.00 O ATOM 292 CB MET A 19 1.893 5.619 -6.731 1.00 0.00 C ATOM 293 CG MET A 19 1.924 4.370 -7.601 1.00 0.00 C ATOM 294 SD MET A 19 2.597 4.792 -9.233 1.00 0.00 S ATOM 295 CE MET A 19 2.600 3.228 -10.088 1.00 0.00 C ATOM 0 H MET A 19 2.387 7.360 -4.970 1.00 0.00 H new ATOM 0 HA MET A 19 0.416 5.183 -5.208 1.00 0.00 H new ATOM 0 HB2 MET A 19 1.221 6.336 -7.202 1.00 0.00 H new ATOM 0 HB3 MET A 19 2.890 6.060 -6.746 1.00 0.00 H new ATOM 0 HG2 MET A 19 2.536 3.600 -7.131 1.00 0.00 H new ATOM 0 HG3 MET A 19 0.919 3.960 -7.704 1.00 0.00 H new ATOM 0 HE1 MET A 19 2.991 3.365 -11.096 1.00 0.00 H new ATOM 0 HE2 MET A 19 3.228 2.519 -9.548 1.00 0.00 H new ATOM 0 HE3 MET A 19 1.582 2.842 -10.144 1.00 0.00 H new ATOM 305 N MET A 20 1.667 3.506 -3.826 1.00 0.00 N ATOM 306 CA MET A 20 2.473 2.536 -3.156 1.00 0.00 C ATOM 307 C MET A 20 2.534 1.245 -3.881 1.00 0.00 C ATOM 308 O MET A 20 1.534 0.524 -3.997 1.00 0.00 O ATOM 309 CB MET A 20 2.067 2.317 -1.757 1.00 0.00 C ATOM 310 CG MET A 20 3.130 1.581 -0.978 1.00 0.00 C ATOM 311 SD MET A 20 2.777 1.558 0.755 1.00 0.00 S ATOM 312 CE MET A 20 2.128 3.197 0.883 1.00 0.00 C ATOM 0 H MET A 20 0.660 3.445 -3.673 1.00 0.00 H new ATOM 0 HA MET A 20 3.476 2.964 -3.145 1.00 0.00 H new ATOM 0 HB2 MET A 20 1.866 3.277 -1.281 1.00 0.00 H new ATOM 0 HB3 MET A 20 1.138 1.748 -1.732 1.00 0.00 H new ATOM 0 HG2 MET A 20 3.208 0.558 -1.347 1.00 0.00 H new ATOM 0 HG3 MET A 20 4.097 2.055 -1.146 1.00 0.00 H new ATOM 0 HE1 MET A 20 1.971 3.445 1.933 1.00 0.00 H new ATOM 0 HE2 MET A 20 2.834 3.903 0.445 1.00 0.00 H new ATOM 0 HE3 MET A 20 1.179 3.255 0.350 1.00 0.00 H new ATOM 322 N PHE A 21 3.730 0.952 -4.276 1.00 0.00 N ATOM 323 CA PHE A 21 4.101 -0.182 -5.055 1.00 0.00 C ATOM 324 C PHE A 21 4.679 -1.188 -4.091 1.00 0.00 C ATOM 325 O PHE A 21 5.681 -0.920 -3.429 1.00 0.00 O ATOM 326 CB PHE A 21 5.145 0.338 -6.037 1.00 0.00 C ATOM 327 CG PHE A 21 5.768 -0.591 -7.024 1.00 0.00 C ATOM 328 CD1 PHE A 21 6.677 -1.561 -6.641 1.00 0.00 C ATOM 329 CD2 PHE A 21 5.506 -0.418 -8.361 1.00 0.00 C ATOM 330 CE1 PHE A 21 7.305 -2.345 -7.580 1.00 0.00 C ATOM 331 CE2 PHE A 21 6.123 -1.199 -9.305 1.00 0.00 C ATOM 332 CZ PHE A 21 7.030 -2.164 -8.919 1.00 0.00 C ATOM 0 H PHE A 21 4.530 1.542 -4.046 1.00 0.00 H new ATOM 0 HA PHE A 21 3.286 -0.656 -5.602 1.00 0.00 H new ATOM 0 HB2 PHE A 21 4.684 1.149 -6.601 1.00 0.00 H new ATOM 0 HB3 PHE A 21 5.952 0.777 -5.450 1.00 0.00 H new ATOM 0 HD1 PHE A 21 6.896 -1.704 -5.593 1.00 0.00 H new ATOM 0 HD2 PHE A 21 4.805 0.342 -8.673 1.00 0.00 H new ATOM 0 HE1 PHE A 21 8.012 -3.100 -7.270 1.00 0.00 H new ATOM 0 HE2 PHE A 21 5.898 -1.058 -10.352 1.00 0.00 H new ATOM 0 HZ PHE A 21 7.522 -2.775 -9.662 1.00 0.00 H new ATOM 342 N VAL A 22 4.052 -2.290 -3.972 1.00 0.00 N ATOM 343 CA VAL A 22 4.435 -3.263 -2.998 1.00 0.00 C ATOM 344 C VAL A 22 4.634 -4.637 -3.624 1.00 0.00 C ATOM 345 O VAL A 22 3.775 -5.140 -4.380 1.00 0.00 O ATOM 346 CB VAL A 22 3.406 -3.261 -1.807 1.00 0.00 C ATOM 347 CG1 VAL A 22 1.985 -3.162 -2.323 1.00 0.00 C ATOM 348 CG2 VAL A 22 3.551 -4.475 -0.889 1.00 0.00 C ATOM 0 H VAL A 22 3.251 -2.557 -4.545 1.00 0.00 H new ATOM 0 HA VAL A 22 5.407 -2.993 -2.585 1.00 0.00 H new ATOM 0 HB VAL A 22 3.635 -2.380 -1.207 1.00 0.00 H new ATOM 0 HG11 VAL A 22 1.292 -3.162 -1.482 1.00 0.00 H new ATOM 0 HG12 VAL A 22 1.867 -2.238 -2.890 1.00 0.00 H new ATOM 0 HG13 VAL A 22 1.772 -4.014 -2.969 1.00 0.00 H new ATOM 0 HG21 VAL A 22 2.814 -4.416 -0.088 1.00 0.00 H new ATOM 0 HG22 VAL A 22 3.390 -5.387 -1.464 1.00 0.00 H new ATOM 0 HG23 VAL A 22 4.553 -4.489 -0.460 1.00 0.00 H new ATOM 358 N THR A 23 5.798 -5.177 -3.378 1.00 0.00 N ATOM 359 CA THR A 23 6.171 -6.470 -3.801 1.00 0.00 C ATOM 360 C THR A 23 5.644 -7.537 -2.739 1.00 0.00 C ATOM 361 O THR A 23 5.881 -7.363 -1.518 1.00 0.00 O ATOM 362 CB THR A 23 7.706 -6.524 -3.855 1.00 0.00 C ATOM 363 OG1 THR A 23 8.175 -5.508 -4.746 1.00 0.00 O ATOM 364 CG2 THR A 23 8.208 -7.884 -4.307 1.00 0.00 C ATOM 0 H THR A 23 6.530 -4.696 -2.856 1.00 0.00 H new ATOM 0 HA THR A 23 5.746 -6.693 -4.780 1.00 0.00 H new ATOM 0 HB THR A 23 8.092 -6.354 -2.850 1.00 0.00 H new ATOM 0 HG1 THR A 23 9.154 -5.534 -4.785 1.00 0.00 H new ATOM 0 HG21 THR A 23 9.298 -7.880 -4.332 1.00 0.00 H new ATOM 0 HG22 THR A 23 7.864 -8.649 -3.611 1.00 0.00 H new ATOM 0 HG23 THR A 23 7.823 -8.101 -5.304 1.00 0.00 H new ATOM 372 N VAL A 24 4.973 -8.618 -3.184 1.00 0.00 N ATOM 373 CA VAL A 24 4.397 -9.620 -2.330 1.00 0.00 C ATOM 374 C VAL A 24 4.866 -10.997 -2.910 1.00 0.00 C ATOM 375 O VAL A 24 4.911 -11.114 -4.122 1.00 0.00 O ATOM 376 CB VAL A 24 2.814 -9.473 -2.393 1.00 0.00 C ATOM 377 CG1 VAL A 24 2.367 -9.310 -3.811 1.00 0.00 C ATOM 378 CG2 VAL A 24 2.098 -10.671 -1.862 1.00 0.00 C ATOM 0 H VAL A 24 4.825 -8.803 -4.176 1.00 0.00 H new ATOM 0 HA VAL A 24 4.703 -9.527 -1.288 1.00 0.00 H new ATOM 0 HB VAL A 24 2.574 -8.603 -1.781 1.00 0.00 H new ATOM 0 HG11 VAL A 24 1.282 -9.210 -3.841 1.00 0.00 H new ATOM 0 HG12 VAL A 24 2.825 -8.417 -4.237 1.00 0.00 H new ATOM 0 HG13 VAL A 24 2.667 -10.183 -4.390 1.00 0.00 H new ATOM 0 HG21 VAL A 24 1.022 -10.512 -1.931 1.00 0.00 H new ATOM 0 HG22 VAL A 24 2.373 -11.548 -2.447 1.00 0.00 H new ATOM 0 HG23 VAL A 24 2.375 -10.828 -0.820 1.00 0.00 H new ATOM 388 N SER A 25 5.284 -12.013 -2.132 1.00 0.00 N ATOM 389 CA SER A 25 5.677 -13.211 -2.805 1.00 0.00 C ATOM 390 C SER A 25 4.704 -14.391 -2.618 1.00 0.00 C ATOM 391 O SER A 25 3.652 -14.374 -3.254 1.00 0.00 O ATOM 392 CB SER A 25 7.222 -13.532 -2.730 1.00 0.00 C ATOM 393 OG SER A 25 7.574 -14.656 -3.540 1.00 0.00 O ATOM 0 H SER A 25 5.348 -12.014 -1.114 1.00 0.00 H new ATOM 0 HA SER A 25 5.558 -12.994 -3.867 1.00 0.00 H new ATOM 0 HB2 SER A 25 7.790 -12.660 -3.053 1.00 0.00 H new ATOM 0 HB3 SER A 25 7.502 -13.729 -1.695 1.00 0.00 H new ATOM 0 HG SER A 25 8.537 -14.822 -3.469 1.00 0.00 H new ATOM 399 N GLY A 26 4.953 -15.319 -1.667 1.00 0.00 N ATOM 400 CA GLY A 26 4.228 -16.580 -1.600 1.00 0.00 C ATOM 401 C GLY A 26 4.298 -17.383 -2.907 1.00 0.00 C ATOM 402 O GLY A 26 4.910 -18.448 -2.944 1.00 0.00 O ATOM 0 H GLY A 26 5.657 -15.205 -0.938 1.00 0.00 H new ATOM 0 HA2 GLY A 26 4.633 -17.183 -0.788 1.00 0.00 H new ATOM 0 HA3 GLY A 26 3.184 -16.380 -1.358 1.00 0.00 H new ATOM 406 N ASN A 27 3.687 -16.882 -3.972 1.00 0.00 N ATOM 407 CA ASN A 27 3.675 -17.536 -5.229 1.00 0.00 C ATOM 408 C ASN A 27 4.352 -16.659 -6.255 1.00 0.00 C ATOM 409 O ASN A 27 4.135 -15.451 -6.270 1.00 0.00 O ATOM 410 CB ASN A 27 2.235 -17.851 -5.666 1.00 0.00 C ATOM 411 CG ASN A 27 1.592 -18.988 -4.884 1.00 0.00 C ATOM 412 OD1 ASN A 27 1.677 -20.144 -5.279 1.00 0.00 O ATOM 413 ND2 ASN A 27 0.978 -18.692 -3.774 1.00 0.00 N ATOM 0 H ASN A 27 3.184 -15.995 -3.964 1.00 0.00 H new ATOM 0 HA ASN A 27 4.215 -18.479 -5.143 1.00 0.00 H new ATOM 0 HB2 ASN A 27 1.626 -16.954 -5.552 1.00 0.00 H new ATOM 0 HB3 ASN A 27 2.234 -18.105 -6.726 1.00 0.00 H new ATOM 0 HD21 ASN A 27 0.555 -19.431 -3.213 1.00 0.00 H new ATOM 0 HD22 ASN A 27 0.921 -17.721 -3.466 1.00 0.00 H new ATOM 420 N PRO A 28 5.184 -17.218 -7.120 1.00 0.00 N ATOM 421 CA PRO A 28 5.729 -16.492 -8.281 1.00 0.00 C ATOM 422 C PRO A 28 4.679 -16.572 -9.418 1.00 0.00 C ATOM 423 O PRO A 28 5.012 -16.700 -10.609 1.00 0.00 O ATOM 424 CB PRO A 28 6.949 -17.357 -8.648 1.00 0.00 C ATOM 425 CG PRO A 28 6.572 -18.742 -8.251 1.00 0.00 C ATOM 426 CD PRO A 28 5.690 -18.609 -7.041 1.00 0.00 C ATOM 0 HA PRO A 28 5.971 -15.444 -8.106 1.00 0.00 H new ATOM 0 HB2 PRO A 28 7.169 -17.298 -9.714 1.00 0.00 H new ATOM 0 HB3 PRO A 28 7.842 -17.024 -8.120 1.00 0.00 H new ATOM 0 HG2 PRO A 28 6.047 -19.249 -9.061 1.00 0.00 H new ATOM 0 HG3 PRO A 28 7.457 -19.336 -8.023 1.00 0.00 H new ATOM 0 HD2 PRO A 28 4.875 -19.332 -7.059 1.00 0.00 H new ATOM 0 HD3 PRO A 28 6.247 -18.780 -6.120 1.00 0.00 H new ATOM 434 N THR A 29 3.414 -16.431 -9.038 1.00 0.00 N ATOM 435 CA THR A 29 2.316 -16.767 -9.880 1.00 0.00 C ATOM 436 C THR A 29 1.233 -15.653 -9.665 1.00 0.00 C ATOM 437 O THR A 29 1.075 -15.203 -8.516 1.00 0.00 O ATOM 438 CB THR A 29 1.774 -18.153 -9.362 1.00 0.00 C ATOM 439 OG1 THR A 29 2.883 -19.060 -9.174 1.00 0.00 O ATOM 440 CG2 THR A 29 0.793 -18.810 -10.321 1.00 0.00 C ATOM 0 H THR A 29 3.139 -16.075 -8.123 1.00 0.00 H new ATOM 0 HA THR A 29 2.579 -16.834 -10.936 1.00 0.00 H new ATOM 0 HB THR A 29 1.249 -17.950 -8.429 1.00 0.00 H new ATOM 0 HG1 THR A 29 2.549 -19.922 -8.850 1.00 0.00 H new ATOM 0 HG21 THR A 29 0.458 -19.760 -9.905 1.00 0.00 H new ATOM 0 HG22 THR A 29 -0.066 -18.155 -10.468 1.00 0.00 H new ATOM 0 HG23 THR A 29 1.283 -18.986 -11.279 1.00 0.00 H new ATOM 448 N GLU A 30 0.469 -15.212 -10.715 1.00 0.00 N ATOM 449 CA GLU A 30 -0.498 -14.138 -10.563 1.00 0.00 C ATOM 450 C GLU A 30 -1.678 -14.573 -9.681 1.00 0.00 C ATOM 451 O GLU A 30 -2.512 -13.768 -9.325 1.00 0.00 O ATOM 452 CB GLU A 30 -0.969 -13.684 -11.943 1.00 0.00 C ATOM 453 CG GLU A 30 -1.829 -12.442 -11.946 1.00 0.00 C ATOM 454 CD GLU A 30 -2.385 -12.153 -13.293 1.00 0.00 C ATOM 455 OE1 GLU A 30 -1.713 -11.489 -14.094 1.00 0.00 O ATOM 456 OE2 GLU A 30 -3.519 -12.587 -13.580 1.00 0.00 O ATOM 0 H GLU A 30 0.523 -15.598 -11.658 1.00 0.00 H new ATOM 0 HA GLU A 30 -0.021 -13.297 -10.060 1.00 0.00 H new ATOM 0 HB2 GLU A 30 -0.094 -13.504 -12.568 1.00 0.00 H new ATOM 0 HB3 GLU A 30 -1.529 -14.497 -12.405 1.00 0.00 H new ATOM 0 HG2 GLU A 30 -2.646 -12.565 -11.235 1.00 0.00 H new ATOM 0 HG3 GLU A 30 -1.238 -11.591 -11.608 1.00 0.00 H new ATOM 463 N LYS A 31 -1.724 -15.853 -9.335 1.00 0.00 N ATOM 464 CA LYS A 31 -2.713 -16.392 -8.411 1.00 0.00 C ATOM 465 C LYS A 31 -2.716 -15.577 -7.116 1.00 0.00 C ATOM 466 O LYS A 31 -3.790 -15.274 -6.537 1.00 0.00 O ATOM 467 CB LYS A 31 -2.395 -17.876 -8.084 1.00 0.00 C ATOM 468 CG LYS A 31 -3.473 -18.595 -7.254 1.00 0.00 C ATOM 469 CD LYS A 31 -3.026 -19.012 -5.829 1.00 0.00 C ATOM 470 CE LYS A 31 -2.685 -17.825 -4.938 1.00 0.00 C ATOM 471 NZ LYS A 31 -2.530 -18.189 -3.514 1.00 0.00 N ATOM 0 H LYS A 31 -1.071 -16.551 -9.690 1.00 0.00 H new ATOM 0 HA LYS A 31 -3.694 -16.333 -8.882 1.00 0.00 H new ATOM 0 HB2 LYS A 31 -2.254 -18.418 -9.019 1.00 0.00 H new ATOM 0 HB3 LYS A 31 -1.449 -17.921 -7.544 1.00 0.00 H new ATOM 0 HG2 LYS A 31 -4.342 -17.943 -7.171 1.00 0.00 H new ATOM 0 HG3 LYS A 31 -3.793 -19.486 -7.794 1.00 0.00 H new ATOM 0 HD2 LYS A 31 -3.821 -19.593 -5.361 1.00 0.00 H new ATOM 0 HD3 LYS A 31 -2.156 -19.664 -5.904 1.00 0.00 H new ATOM 0 HE2 LYS A 31 -1.761 -17.368 -5.292 1.00 0.00 H new ATOM 0 HE3 LYS A 31 -3.469 -17.073 -5.031 1.00 0.00 H new ATOM 0 HZ1 LYS A 31 -1.835 -17.557 -3.068 1.00 0.00 H new ATOM 0 HZ2 LYS A 31 -3.445 -18.093 -3.030 1.00 0.00 H new ATOM 0 HZ3 LYS A 31 -2.201 -19.173 -3.441 1.00 0.00 H new ATOM 485 N GLU A 32 -1.525 -15.209 -6.664 1.00 0.00 N ATOM 486 CA GLU A 32 -1.417 -14.507 -5.409 1.00 0.00 C ATOM 487 C GLU A 32 -2.004 -13.143 -5.608 1.00 0.00 C ATOM 488 O GLU A 32 -2.949 -12.757 -4.929 1.00 0.00 O ATOM 489 CB GLU A 32 0.038 -14.419 -4.928 1.00 0.00 C ATOM 490 CG GLU A 32 0.191 -14.323 -3.421 1.00 0.00 C ATOM 491 CD GLU A 32 -0.192 -15.630 -2.778 1.00 0.00 C ATOM 492 OE1 GLU A 32 -1.392 -15.933 -2.668 1.00 0.00 O ATOM 493 OE2 GLU A 32 0.698 -16.409 -2.423 1.00 0.00 O ATOM 0 H GLU A 32 -0.641 -15.384 -7.142 1.00 0.00 H new ATOM 0 HA GLU A 32 -1.958 -15.048 -4.633 1.00 0.00 H new ATOM 0 HB2 GLU A 32 0.579 -15.297 -5.282 1.00 0.00 H new ATOM 0 HB3 GLU A 32 0.508 -13.549 -5.386 1.00 0.00 H new ATOM 0 HG2 GLU A 32 1.221 -14.072 -3.167 1.00 0.00 H new ATOM 0 HG3 GLU A 32 -0.437 -13.521 -3.034 1.00 0.00 H new ATOM 500 N THR A 33 -1.444 -12.463 -6.579 1.00 0.00 N ATOM 501 CA THR A 33 -1.910 -11.215 -7.101 1.00 0.00 C ATOM 502 C THR A 33 -3.434 -11.175 -7.207 1.00 0.00 C ATOM 503 O THR A 33 -4.034 -10.254 -6.754 1.00 0.00 O ATOM 504 CB THR A 33 -1.339 -11.033 -8.508 1.00 0.00 C ATOM 505 OG1 THR A 33 0.078 -11.135 -8.443 1.00 0.00 O ATOM 506 CG2 THR A 33 -1.731 -9.682 -9.088 1.00 0.00 C ATOM 0 H THR A 33 -0.601 -12.792 -7.049 1.00 0.00 H new ATOM 0 HA THR A 33 -1.586 -10.425 -6.423 1.00 0.00 H new ATOM 0 HB THR A 33 -1.745 -11.808 -9.158 1.00 0.00 H new ATOM 0 HG1 THR A 33 0.482 -10.455 -9.021 1.00 0.00 H new ATOM 0 HG21 THR A 33 -1.311 -9.580 -10.089 1.00 0.00 H new ATOM 0 HG22 THR A 33 -2.817 -9.610 -9.141 1.00 0.00 H new ATOM 0 HG23 THR A 33 -1.346 -8.887 -8.450 1.00 0.00 H new ATOM 514 N GLU A 34 -4.040 -12.199 -7.762 1.00 0.00 N ATOM 515 CA GLU A 34 -5.461 -12.189 -7.983 1.00 0.00 C ATOM 516 C GLU A 34 -6.304 -12.302 -6.717 1.00 0.00 C ATOM 517 O GLU A 34 -7.163 -11.420 -6.483 1.00 0.00 O ATOM 518 CB GLU A 34 -5.887 -13.163 -9.052 1.00 0.00 C ATOM 519 CG GLU A 34 -5.578 -14.599 -8.748 1.00 0.00 C ATOM 520 CD GLU A 34 -6.042 -15.510 -9.836 1.00 0.00 C ATOM 521 OE1 GLU A 34 -5.548 -15.417 -10.978 1.00 0.00 O ATOM 522 OE2 GLU A 34 -6.944 -16.315 -9.590 1.00 0.00 O ATOM 0 H GLU A 34 -3.567 -13.049 -8.068 1.00 0.00 H new ATOM 0 HA GLU A 34 -5.671 -11.188 -8.361 1.00 0.00 H new ATOM 0 HB2 GLU A 34 -6.961 -13.062 -9.210 1.00 0.00 H new ATOM 0 HB3 GLU A 34 -5.400 -12.891 -9.988 1.00 0.00 H new ATOM 0 HG2 GLU A 34 -4.503 -14.718 -8.609 1.00 0.00 H new ATOM 0 HG3 GLU A 34 -6.054 -14.882 -7.809 1.00 0.00 H new ATOM 529 N GLU A 35 -6.069 -13.330 -5.868 1.00 0.00 N ATOM 530 CA GLU A 35 -6.927 -13.451 -4.661 1.00 0.00 C ATOM 531 C GLU A 35 -6.676 -12.256 -3.741 1.00 0.00 C ATOM 532 O GLU A 35 -7.605 -11.699 -3.127 1.00 0.00 O ATOM 533 CB GLU A 35 -6.774 -14.827 -3.890 1.00 0.00 C ATOM 534 CG GLU A 35 -5.366 -15.179 -3.468 1.00 0.00 C ATOM 535 CD GLU A 35 -5.353 -16.399 -2.587 1.00 0.00 C ATOM 536 OE1 GLU A 35 -5.572 -16.270 -1.374 1.00 0.00 O ATOM 537 OE2 GLU A 35 -5.153 -17.520 -3.091 1.00 0.00 O ATOM 0 H GLU A 35 -5.347 -14.042 -5.979 1.00 0.00 H new ATOM 0 HA GLU A 35 -7.962 -13.445 -5.002 1.00 0.00 H new ATOM 0 HB2 GLU A 35 -7.405 -14.799 -3.002 1.00 0.00 H new ATOM 0 HB3 GLU A 35 -7.155 -15.625 -4.527 1.00 0.00 H new ATOM 0 HG2 GLU A 35 -4.752 -15.358 -4.351 1.00 0.00 H new ATOM 0 HG3 GLU A 35 -4.922 -14.338 -2.936 1.00 0.00 H new ATOM 544 N ILE A 36 -5.438 -11.846 -3.716 1.00 0.00 N ATOM 545 CA ILE A 36 -5.007 -10.714 -2.976 1.00 0.00 C ATOM 546 C ILE A 36 -5.578 -9.403 -3.566 1.00 0.00 C ATOM 547 O ILE A 36 -6.045 -8.602 -2.830 1.00 0.00 O ATOM 548 CB ILE A 36 -3.452 -10.708 -2.858 1.00 0.00 C ATOM 549 CG1 ILE A 36 -2.911 -11.424 -1.591 1.00 0.00 C ATOM 550 CG2 ILE A 36 -2.814 -9.370 -3.047 1.00 0.00 C ATOM 551 CD1 ILE A 36 -1.422 -11.690 -1.702 1.00 0.00 C ATOM 0 H ILE A 36 -4.687 -12.310 -4.228 1.00 0.00 H new ATOM 0 HA ILE A 36 -5.404 -10.780 -1.963 1.00 0.00 H new ATOM 0 HB ILE A 36 -3.143 -11.308 -3.714 1.00 0.00 H new ATOM 0 HG12 ILE A 36 -3.108 -10.811 -0.712 1.00 0.00 H new ATOM 0 HG13 ILE A 36 -3.441 -12.366 -1.448 1.00 0.00 H new ATOM 0 HG21 ILE A 36 -1.733 -9.465 -2.947 1.00 0.00 H new ATOM 0 HG22 ILE A 36 -3.055 -8.989 -4.039 1.00 0.00 H new ATOM 0 HG23 ILE A 36 -3.188 -8.678 -2.292 1.00 0.00 H new ATOM 0 HD11 ILE A 36 -1.074 -12.192 -0.799 1.00 0.00 H new ATOM 0 HD12 ILE A 36 -1.229 -12.324 -2.567 1.00 0.00 H new ATOM 0 HD13 ILE A 36 -0.891 -10.745 -1.819 1.00 0.00 H new ATOM 563 N THR A 37 -5.625 -9.223 -4.893 1.00 0.00 N ATOM 564 CA THR A 37 -6.099 -7.940 -5.431 1.00 0.00 C ATOM 565 C THR A 37 -7.570 -7.767 -5.198 1.00 0.00 C ATOM 566 O THR A 37 -8.017 -6.666 -4.821 1.00 0.00 O ATOM 567 CB THR A 37 -5.773 -7.688 -6.930 1.00 0.00 C ATOM 568 OG1 THR A 37 -6.054 -8.855 -7.705 1.00 0.00 O ATOM 569 CG2 THR A 37 -4.332 -7.239 -7.146 1.00 0.00 C ATOM 0 H THR A 37 -5.353 -9.917 -5.589 1.00 0.00 H new ATOM 0 HA THR A 37 -5.535 -7.192 -4.874 1.00 0.00 H new ATOM 0 HB THR A 37 -6.415 -6.873 -7.264 1.00 0.00 H new ATOM 0 HG1 THR A 37 -5.282 -9.458 -7.680 1.00 0.00 H new ATOM 0 HG21 THR A 37 -4.157 -7.077 -8.210 1.00 0.00 H new ATOM 0 HG22 THR A 37 -4.155 -6.310 -6.603 1.00 0.00 H new ATOM 0 HG23 THR A 37 -3.652 -8.008 -6.780 1.00 0.00 H new ATOM 577 N SER A 38 -8.316 -8.856 -5.371 1.00 0.00 N ATOM 578 CA SER A 38 -9.726 -8.828 -5.156 1.00 0.00 C ATOM 579 C SER A 38 -10.026 -8.547 -3.683 1.00 0.00 C ATOM 580 O SER A 38 -10.764 -7.602 -3.364 1.00 0.00 O ATOM 581 CB SER A 38 -10.382 -10.121 -5.671 1.00 0.00 C ATOM 582 OG SER A 38 -9.712 -11.275 -5.178 1.00 0.00 O ATOM 0 H SER A 38 -7.948 -9.762 -5.661 1.00 0.00 H new ATOM 0 HA SER A 38 -10.167 -8.014 -5.731 1.00 0.00 H new ATOM 0 HB2 SER A 38 -11.428 -10.147 -5.365 1.00 0.00 H new ATOM 0 HB3 SER A 38 -10.369 -10.128 -6.761 1.00 0.00 H new ATOM 0 HG SER A 38 -8.903 -11.434 -5.707 1.00 0.00 H new ATOM 588 N LEU A 39 -9.396 -9.312 -2.775 1.00 0.00 N ATOM 589 CA LEU A 39 -9.589 -9.075 -1.350 1.00 0.00 C ATOM 590 C LEU A 39 -9.111 -7.687 -0.958 1.00 0.00 C ATOM 591 O LEU A 39 -9.854 -6.928 -0.348 1.00 0.00 O ATOM 592 CB LEU A 39 -8.920 -10.143 -0.466 1.00 0.00 C ATOM 593 CG LEU A 39 -9.495 -11.563 -0.548 1.00 0.00 C ATOM 594 CD1 LEU A 39 -8.788 -12.481 0.438 1.00 0.00 C ATOM 595 CD2 LEU A 39 -10.994 -11.560 -0.281 1.00 0.00 C ATOM 0 H LEU A 39 -8.765 -10.080 -3.003 1.00 0.00 H new ATOM 0 HA LEU A 39 -10.662 -9.144 -1.173 1.00 0.00 H new ATOM 0 HB2 LEU A 39 -7.863 -10.188 -0.728 1.00 0.00 H new ATOM 0 HB3 LEU A 39 -8.978 -9.812 0.571 1.00 0.00 H new ATOM 0 HG LEU A 39 -9.328 -11.936 -1.558 1.00 0.00 H new ATOM 0 HD11 LEU A 39 -9.208 -13.484 0.367 1.00 0.00 H new ATOM 0 HD12 LEU A 39 -7.724 -12.516 0.204 1.00 0.00 H new ATOM 0 HD13 LEU A 39 -8.925 -12.102 1.451 1.00 0.00 H new ATOM 0 HD21 LEU A 39 -11.377 -12.578 -0.345 1.00 0.00 H new ATOM 0 HD22 LEU A 39 -11.185 -11.162 0.716 1.00 0.00 H new ATOM 0 HD23 LEU A 39 -11.494 -10.937 -1.022 1.00 0.00 H new ATOM 607 N TRP A 40 -7.902 -7.339 -1.370 1.00 0.00 N ATOM 608 CA TRP A 40 -7.297 -6.066 -1.027 1.00 0.00 C ATOM 609 C TRP A 40 -8.086 -4.870 -1.542 1.00 0.00 C ATOM 610 O TRP A 40 -8.735 -4.224 -0.755 1.00 0.00 O ATOM 611 CB TRP A 40 -5.811 -5.978 -1.417 1.00 0.00 C ATOM 612 CG TRP A 40 -4.895 -6.907 -0.635 1.00 0.00 C ATOM 613 CD1 TRP A 40 -5.255 -7.841 0.309 1.00 0.00 C ATOM 614 CD2 TRP A 40 -3.469 -6.987 -0.742 1.00 0.00 C ATOM 615 NE1 TRP A 40 -4.140 -8.477 0.792 1.00 0.00 N ATOM 616 CE2 TRP A 40 -3.031 -7.972 0.175 1.00 0.00 C ATOM 617 CE3 TRP A 40 -2.515 -6.322 -1.518 1.00 0.00 C ATOM 618 CZ2 TRP A 40 -1.677 -8.301 0.342 1.00 0.00 C ATOM 619 CZ3 TRP A 40 -1.174 -6.651 -1.351 1.00 0.00 C ATOM 620 CH2 TRP A 40 -0.765 -7.626 -0.425 1.00 0.00 C ATOM 0 H TRP A 40 -7.313 -7.934 -1.953 1.00 0.00 H new ATOM 0 HA TRP A 40 -7.337 -6.020 0.061 1.00 0.00 H new ATOM 0 HB2 TRP A 40 -5.714 -6.203 -2.479 1.00 0.00 H new ATOM 0 HB3 TRP A 40 -5.472 -4.952 -1.276 1.00 0.00 H new ATOM 0 HD1 TRP A 40 -6.268 -8.044 0.624 1.00 0.00 H new ATOM 0 HE1 TRP A 40 -4.139 -9.211 1.500 1.00 0.00 H new ATOM 0 HE3 TRP A 40 -2.813 -5.569 -2.232 1.00 0.00 H new ATOM 0 HZ2 TRP A 40 -1.366 -9.057 1.048 1.00 0.00 H new ATOM 0 HZ3 TRP A 40 -0.429 -6.145 -1.947 1.00 0.00 H new ATOM 0 HH2 TRP A 40 0.287 -7.847 -0.316 1.00 0.00 H new ATOM 631 N GLN A 41 -8.100 -4.581 -2.863 1.00 0.00 N ATOM 632 CA GLN A 41 -8.822 -3.369 -3.287 1.00 0.00 C ATOM 633 C GLN A 41 -10.327 -3.521 -3.143 1.00 0.00 C ATOM 634 O GLN A 41 -11.029 -2.537 -3.065 1.00 0.00 O ATOM 635 CB GLN A 41 -8.387 -2.729 -4.662 1.00 0.00 C ATOM 636 CG GLN A 41 -8.892 -3.371 -5.948 1.00 0.00 C ATOM 637 CD GLN A 41 -9.634 -2.354 -6.822 1.00 0.00 C ATOM 638 OE1 GLN A 41 -10.844 -2.196 -6.688 1.00 0.00 O ATOM 639 NE2 GLN A 41 -8.938 -1.646 -7.715 1.00 0.00 N ATOM 0 H GLN A 41 -7.655 -5.125 -3.602 1.00 0.00 H new ATOM 0 HA GLN A 41 -8.494 -2.614 -2.573 1.00 0.00 H new ATOM 0 HB2 GLN A 41 -8.709 -1.688 -4.661 1.00 0.00 H new ATOM 0 HB3 GLN A 41 -7.298 -2.725 -4.697 1.00 0.00 H new ATOM 0 HG2 GLN A 41 -8.052 -3.787 -6.504 1.00 0.00 H new ATOM 0 HG3 GLN A 41 -9.557 -4.200 -5.707 1.00 0.00 H new ATOM 0 HE21 GLN A 41 -7.933 -1.793 -7.811 1.00 0.00 H new ATOM 0 HE22 GLN A 41 -9.411 -0.959 -8.301 1.00 0.00 H new ATOM 648 N GLY A 42 -10.816 -4.760 -3.046 1.00 0.00 N ATOM 649 CA GLY A 42 -12.213 -4.953 -2.772 1.00 0.00 C ATOM 650 C GLY A 42 -12.569 -4.382 -1.415 1.00 0.00 C ATOM 651 O GLY A 42 -13.510 -3.597 -1.294 1.00 0.00 O ATOM 0 H GLY A 42 -10.269 -5.615 -3.152 1.00 0.00 H new ATOM 0 HA2 GLY A 42 -12.812 -4.471 -3.545 1.00 0.00 H new ATOM 0 HA3 GLY A 42 -12.452 -6.016 -2.800 1.00 0.00 H new ATOM 655 N SER A 43 -11.782 -4.716 -0.407 1.00 0.00 N ATOM 656 CA SER A 43 -12.028 -4.222 0.930 1.00 0.00 C ATOM 657 C SER A 43 -11.530 -2.782 1.088 1.00 0.00 C ATOM 658 O SER A 43 -12.165 -1.971 1.769 1.00 0.00 O ATOM 659 CB SER A 43 -11.421 -5.154 1.984 1.00 0.00 C ATOM 660 OG SER A 43 -10.034 -5.361 1.752 1.00 0.00 O ATOM 0 H SER A 43 -10.969 -5.326 -0.492 1.00 0.00 H new ATOM 0 HA SER A 43 -13.106 -4.210 1.091 1.00 0.00 H new ATOM 0 HB2 SER A 43 -11.566 -4.728 2.977 1.00 0.00 H new ATOM 0 HB3 SER A 43 -11.941 -6.112 1.969 1.00 0.00 H new ATOM 0 HG SER A 43 -9.909 -6.174 1.220 1.00 0.00 H new ATOM 666 N LEU A 44 -10.419 -2.447 0.412 1.00 0.00 N ATOM 667 CA LEU A 44 -9.870 -1.098 0.475 1.00 0.00 C ATOM 668 C LEU A 44 -10.875 -0.075 -0.093 1.00 0.00 C ATOM 669 O LEU A 44 -10.978 1.059 0.401 1.00 0.00 O ATOM 670 CB LEU A 44 -8.456 -0.959 -0.186 1.00 0.00 C ATOM 671 CG LEU A 44 -7.312 -1.876 0.282 1.00 0.00 C ATOM 672 CD1 LEU A 44 -5.901 -1.299 -0.129 1.00 0.00 C ATOM 673 CD2 LEU A 44 -7.437 -2.207 1.769 1.00 0.00 C ATOM 0 H LEU A 44 -9.893 -3.091 -0.178 1.00 0.00 H new ATOM 0 HA LEU A 44 -9.711 -0.878 1.531 1.00 0.00 H new ATOM 0 HB2 LEU A 44 -8.579 -1.111 -1.258 1.00 0.00 H new ATOM 0 HB3 LEU A 44 -8.129 0.071 -0.045 1.00 0.00 H new ATOM 0 HG LEU A 44 -7.400 -2.829 -0.240 1.00 0.00 H new ATOM 0 HD11 LEU A 44 -5.117 -1.973 0.218 1.00 0.00 H new ATOM 0 HD12 LEU A 44 -5.847 -1.208 -1.214 1.00 0.00 H new ATOM 0 HD13 LEU A 44 -5.763 -0.318 0.325 1.00 0.00 H new ATOM 0 HD21 LEU A 44 -6.614 -2.856 2.068 1.00 0.00 H new ATOM 0 HD22 LEU A 44 -7.402 -1.286 2.351 1.00 0.00 H new ATOM 0 HD23 LEU A 44 -8.384 -2.715 1.950 1.00 0.00 H new ATOM 685 N PHE A 45 -11.654 -0.496 -1.094 1.00 0.00 N ATOM 686 CA PHE A 45 -12.709 0.339 -1.639 1.00 0.00 C ATOM 687 C PHE A 45 -14.004 0.159 -0.834 1.00 0.00 C ATOM 688 O PHE A 45 -14.797 1.090 -0.713 1.00 0.00 O ATOM 689 CB PHE A 45 -12.956 0.054 -3.137 1.00 0.00 C ATOM 690 CG PHE A 45 -11.905 0.607 -4.094 1.00 0.00 C ATOM 691 CD1 PHE A 45 -10.578 0.213 -4.025 1.00 0.00 C ATOM 692 CD2 PHE A 45 -12.263 1.525 -5.063 1.00 0.00 C ATOM 693 CE1 PHE A 45 -9.638 0.719 -4.901 1.00 0.00 C ATOM 694 CE2 PHE A 45 -11.326 2.035 -5.942 1.00 0.00 C ATOM 695 CZ PHE A 45 -10.015 1.630 -5.860 1.00 0.00 C ATOM 0 H PHE A 45 -11.568 -1.410 -1.538 1.00 0.00 H new ATOM 0 HA PHE A 45 -12.382 1.376 -1.556 1.00 0.00 H new ATOM 0 HB2 PHE A 45 -13.018 -1.025 -3.278 1.00 0.00 H new ATOM 0 HB3 PHE A 45 -13.926 0.468 -3.412 1.00 0.00 H new ATOM 0 HD1 PHE A 45 -10.274 -0.501 -3.274 1.00 0.00 H new ATOM 0 HD2 PHE A 45 -13.291 1.849 -5.135 1.00 0.00 H new ATOM 0 HE1 PHE A 45 -8.608 0.400 -4.833 1.00 0.00 H new ATOM 0 HE2 PHE A 45 -11.624 2.752 -6.693 1.00 0.00 H new ATOM 0 HZ PHE A 45 -9.282 2.026 -6.547 1.00 0.00 H new ATOM 705 N ASN A 46 -14.207 -1.032 -0.264 1.00 0.00 N ATOM 706 CA ASN A 46 -15.406 -1.310 0.555 1.00 0.00 C ATOM 707 C ASN A 46 -15.432 -0.491 1.838 1.00 0.00 C ATOM 708 O ASN A 46 -16.488 -0.024 2.263 1.00 0.00 O ATOM 709 CB ASN A 46 -15.593 -2.822 0.847 1.00 0.00 C ATOM 710 CG ASN A 46 -16.790 -3.121 1.745 1.00 0.00 C ATOM 711 OD1 ASN A 46 -17.917 -3.258 1.265 1.00 0.00 O ATOM 712 ND2 ASN A 46 -16.556 -3.275 3.027 1.00 0.00 N ATOM 0 H ASN A 46 -13.565 -1.820 -0.350 1.00 0.00 H new ATOM 0 HA ASN A 46 -16.258 -0.996 -0.048 1.00 0.00 H new ATOM 0 HB2 ASN A 46 -15.714 -3.355 -0.096 1.00 0.00 H new ATOM 0 HB3 ASN A 46 -14.689 -3.208 1.318 1.00 0.00 H new ATOM 0 HD21 ASN A 46 -17.319 -3.516 3.659 1.00 0.00 H new ATOM 0 HD22 ASN A 46 -15.611 -3.154 3.391 1.00 0.00 H new ATOM 719 N ALA A 47 -14.275 -0.267 2.441 1.00 0.00 N ATOM 720 CA ALA A 47 -14.211 0.552 3.636 1.00 0.00 C ATOM 721 C ALA A 47 -14.096 2.019 3.254 1.00 0.00 C ATOM 722 O ALA A 47 -13.946 2.885 4.111 1.00 0.00 O ATOM 723 CB ALA A 47 -13.072 0.123 4.543 1.00 0.00 C ATOM 0 H ALA A 47 -13.378 -0.637 2.125 1.00 0.00 H new ATOM 0 HA ALA A 47 -15.134 0.413 4.200 1.00 0.00 H new ATOM 0 HB1 ALA A 47 -13.053 0.758 5.429 1.00 0.00 H new ATOM 0 HB2 ALA A 47 -13.217 -0.915 4.843 1.00 0.00 H new ATOM 0 HB3 ALA A 47 -12.126 0.217 4.009 1.00 0.00 H new ATOM 729 N ASN A 48 -14.169 2.270 1.940 1.00 0.00 N ATOM 730 CA ASN A 48 -14.196 3.608 1.354 1.00 0.00 C ATOM 731 C ASN A 48 -12.955 4.437 1.729 1.00 0.00 C ATOM 732 O ASN A 48 -13.066 5.580 2.189 1.00 0.00 O ATOM 733 CB ASN A 48 -15.534 4.319 1.750 1.00 0.00 C ATOM 734 CG ASN A 48 -15.739 5.732 1.176 1.00 0.00 C ATOM 735 OD1 ASN A 48 -15.209 6.090 0.119 1.00 0.00 O ATOM 736 ND2 ASN A 48 -16.540 6.519 1.847 1.00 0.00 N ATOM 0 H ASN A 48 -14.212 1.527 1.242 1.00 0.00 H new ATOM 0 HA ASN A 48 -14.160 3.515 0.269 1.00 0.00 H new ATOM 0 HB2 ASN A 48 -16.365 3.692 1.427 1.00 0.00 H new ATOM 0 HB3 ASN A 48 -15.583 4.379 2.837 1.00 0.00 H new ATOM 0 HD21 ASN A 48 -16.742 7.457 1.500 1.00 0.00 H new ATOM 0 HD22 ASN A 48 -16.963 6.195 2.717 1.00 0.00 H new ATOM 743 N TYR A 49 -11.751 3.865 1.596 1.00 0.00 N ATOM 744 CA TYR A 49 -10.574 4.684 1.811 1.00 0.00 C ATOM 745 C TYR A 49 -10.286 5.813 0.763 1.00 0.00 C ATOM 746 O TYR A 49 -9.500 6.688 1.064 1.00 0.00 O ATOM 747 CB TYR A 49 -9.352 3.841 2.085 1.00 0.00 C ATOM 748 CG TYR A 49 -9.135 3.576 3.526 1.00 0.00 C ATOM 749 CD1 TYR A 49 -8.864 4.614 4.392 1.00 0.00 C ATOM 750 CD2 TYR A 49 -9.190 2.298 4.022 1.00 0.00 C ATOM 751 CE1 TYR A 49 -8.653 4.388 5.721 1.00 0.00 C ATOM 752 CE2 TYR A 49 -8.977 2.040 5.354 1.00 0.00 C ATOM 753 CZ TYR A 49 -8.707 3.096 6.209 1.00 0.00 C ATOM 754 OH TYR A 49 -8.499 2.863 7.552 1.00 0.00 O ATOM 0 H TYR A 49 -11.579 2.889 1.353 1.00 0.00 H new ATOM 0 HA TYR A 49 -10.830 5.251 2.706 1.00 0.00 H new ATOM 0 HB2 TYR A 49 -9.448 2.892 1.558 1.00 0.00 H new ATOM 0 HB3 TYR A 49 -8.474 4.343 1.679 1.00 0.00 H new ATOM 0 HD1 TYR A 49 -8.818 5.624 4.012 1.00 0.00 H new ATOM 0 HD2 TYR A 49 -9.405 1.479 3.352 1.00 0.00 H new ATOM 0 HE1 TYR A 49 -8.445 5.213 6.387 1.00 0.00 H new ATOM 0 HE2 TYR A 49 -9.019 1.028 5.730 1.00 0.00 H new ATOM 0 HH TYR A 49 -8.572 1.903 7.733 1.00 0.00 H new ATOM 764 N ASP A 50 -10.953 5.823 -0.414 1.00 0.00 N ATOM 765 CA ASP A 50 -10.704 6.792 -1.494 1.00 0.00 C ATOM 766 C ASP A 50 -9.288 6.643 -1.990 1.00 0.00 C ATOM 767 O ASP A 50 -8.364 7.371 -1.606 1.00 0.00 O ATOM 768 CB ASP A 50 -11.067 8.243 -1.125 1.00 0.00 C ATOM 769 CG ASP A 50 -10.953 9.186 -2.301 1.00 0.00 C ATOM 770 OD1 ASP A 50 -11.400 8.835 -3.417 1.00 0.00 O ATOM 771 OD2 ASP A 50 -10.422 10.289 -2.140 1.00 0.00 O ATOM 0 H ASP A 50 -11.686 5.150 -0.638 1.00 0.00 H new ATOM 0 HA ASP A 50 -11.384 6.557 -2.313 1.00 0.00 H new ATOM 0 HB2 ASP A 50 -12.086 8.272 -0.738 1.00 0.00 H new ATOM 0 HB3 ASP A 50 -10.412 8.585 -0.324 1.00 0.00 H new ATOM 776 N VAL A 51 -9.127 5.633 -2.781 1.00 0.00 N ATOM 777 CA VAL A 51 -7.853 5.162 -3.240 1.00 0.00 C ATOM 778 C VAL A 51 -7.919 4.737 -4.689 1.00 0.00 C ATOM 779 O VAL A 51 -8.973 4.776 -5.331 1.00 0.00 O ATOM 780 CB VAL A 51 -7.413 3.912 -2.447 1.00 0.00 C ATOM 781 CG1 VAL A 51 -6.888 4.226 -1.062 1.00 0.00 C ATOM 782 CG2 VAL A 51 -8.565 2.947 -2.381 1.00 0.00 C ATOM 0 H VAL A 51 -9.910 5.088 -3.142 1.00 0.00 H new ATOM 0 HA VAL A 51 -7.153 5.986 -3.105 1.00 0.00 H new ATOM 0 HB VAL A 51 -6.573 3.464 -2.978 1.00 0.00 H new ATOM 0 HG11 VAL A 51 -6.598 3.301 -0.564 1.00 0.00 H new ATOM 0 HG12 VAL A 51 -6.021 4.882 -1.142 1.00 0.00 H new ATOM 0 HG13 VAL A 51 -7.666 4.722 -0.482 1.00 0.00 H new ATOM 0 HG21 VAL A 51 -8.265 2.060 -1.823 1.00 0.00 H new ATOM 0 HG22 VAL A 51 -9.409 3.422 -1.881 1.00 0.00 H new ATOM 0 HG23 VAL A 51 -8.856 2.659 -3.391 1.00 0.00 H new ATOM 792 N GLN A 52 -6.787 4.352 -5.177 1.00 0.00 N ATOM 793 CA GLN A 52 -6.614 3.787 -6.493 1.00 0.00 C ATOM 794 C GLN A 52 -5.642 2.682 -6.285 1.00 0.00 C ATOM 795 O GLN A 52 -4.698 2.860 -5.605 1.00 0.00 O ATOM 796 CB GLN A 52 -6.051 4.877 -7.399 1.00 0.00 C ATOM 797 CG GLN A 52 -5.696 4.486 -8.812 1.00 0.00 C ATOM 798 CD GLN A 52 -5.226 5.701 -9.577 1.00 0.00 C ATOM 799 OE1 GLN A 52 -6.020 6.395 -10.217 1.00 0.00 O ATOM 800 NE2 GLN A 52 -3.960 5.988 -9.505 1.00 0.00 N ATOM 0 H GLN A 52 -5.914 4.421 -4.655 1.00 0.00 H new ATOM 0 HA GLN A 52 -7.529 3.419 -6.957 1.00 0.00 H new ATOM 0 HB2 GLN A 52 -6.779 5.687 -7.446 1.00 0.00 H new ATOM 0 HB3 GLN A 52 -5.156 5.280 -6.925 1.00 0.00 H new ATOM 0 HG2 GLN A 52 -4.915 3.726 -8.803 1.00 0.00 H new ATOM 0 HG3 GLN A 52 -6.563 4.047 -9.306 1.00 0.00 H new ATOM 0 HE21 GLN A 52 -3.332 5.392 -8.966 1.00 0.00 H new ATOM 0 HE22 GLN A 52 -3.595 6.810 -9.987 1.00 0.00 H new ATOM 809 N ARG A 53 -5.905 1.534 -6.769 1.00 0.00 N ATOM 810 CA ARG A 53 -5.017 0.424 -6.513 1.00 0.00 C ATOM 811 C ARG A 53 -4.846 -0.369 -7.778 1.00 0.00 C ATOM 812 O ARG A 53 -5.794 -0.472 -8.554 1.00 0.00 O ATOM 813 CB ARG A 53 -5.551 -0.437 -5.395 1.00 0.00 C ATOM 814 CG ARG A 53 -5.670 0.181 -4.019 1.00 0.00 C ATOM 815 CD ARG A 53 -6.063 -0.918 -3.143 1.00 0.00 C ATOM 816 NE ARG A 53 -4.944 -1.916 -2.926 1.00 0.00 N ATOM 817 CZ ARG A 53 -4.690 -3.085 -3.578 1.00 0.00 C ATOM 818 NH1 ARG A 53 -5.457 -3.505 -4.557 1.00 0.00 N ATOM 819 NH2 ARG A 53 -3.634 -3.816 -3.228 1.00 0.00 N ATOM 0 H ARG A 53 -6.718 1.317 -7.345 1.00 0.00 H new ATOM 0 HA ARG A 53 -4.044 0.799 -6.197 1.00 0.00 H new ATOM 0 HB2 ARG A 53 -6.539 -0.791 -5.689 1.00 0.00 H new ATOM 0 HB3 ARG A 53 -4.909 -1.314 -5.313 1.00 0.00 H new ATOM 0 HG2 ARG A 53 -4.725 0.620 -3.701 1.00 0.00 H new ATOM 0 HG3 ARG A 53 -6.412 0.979 -4.008 1.00 0.00 H new ATOM 0 HD2 ARG A 53 -6.379 -0.516 -2.180 1.00 0.00 H new ATOM 0 HD3 ARG A 53 -6.924 -1.430 -3.572 1.00 0.00 H new ATOM 0 HE ARG A 53 -4.285 -1.678 -2.184 1.00 0.00 H new ATOM 0 HH11 ARG A 53 -6.264 -2.952 -4.845 1.00 0.00 H new ATOM 0 HH12 ARG A 53 -5.246 -4.384 -5.029 1.00 0.00 H new ATOM 0 HH21 ARG A 53 -3.021 -3.500 -2.476 1.00 0.00 H new ATOM 0 HH22 ARG A 53 -3.437 -4.692 -3.712 1.00 0.00 H new ATOM 833 N PHE A 54 -3.665 -0.937 -8.002 1.00 0.00 N ATOM 834 CA PHE A 54 -3.404 -1.479 -9.338 1.00 0.00 C ATOM 835 C PHE A 54 -2.766 -2.870 -9.313 1.00 0.00 C ATOM 836 O PHE A 54 -2.064 -3.235 -8.334 1.00 0.00 O ATOM 837 CB PHE A 54 -2.526 -0.477 -10.120 1.00 0.00 C ATOM 838 CG PHE A 54 -2.587 -0.604 -11.620 1.00 0.00 C ATOM 839 CD1 PHE A 54 -3.659 -0.076 -12.314 1.00 0.00 C ATOM 840 CD2 PHE A 54 -1.575 -1.223 -12.334 1.00 0.00 C ATOM 841 CE1 PHE A 54 -3.727 -0.165 -13.684 1.00 0.00 C ATOM 842 CE2 PHE A 54 -1.644 -1.315 -13.706 1.00 0.00 C ATOM 843 CZ PHE A 54 -2.720 -0.785 -14.380 1.00 0.00 C ATOM 0 H PHE A 54 -2.910 -1.034 -7.322 1.00 0.00 H new ATOM 0 HA PHE A 54 -4.363 -1.609 -9.839 1.00 0.00 H new ATOM 0 HB2 PHE A 54 -2.824 0.535 -9.845 1.00 0.00 H new ATOM 0 HB3 PHE A 54 -1.491 -0.601 -9.803 1.00 0.00 H new ATOM 0 HD1 PHE A 54 -4.455 0.414 -11.772 1.00 0.00 H new ATOM 0 HD2 PHE A 54 -0.725 -1.637 -11.811 1.00 0.00 H new ATOM 0 HE1 PHE A 54 -4.572 0.252 -14.212 1.00 0.00 H new ATOM 0 HE2 PHE A 54 -0.852 -1.804 -14.254 1.00 0.00 H new ATOM 0 HZ PHE A 54 -2.772 -0.857 -15.456 1.00 0.00 H new ATOM 853 N ILE A 55 -3.037 -3.649 -10.363 1.00 0.00 N ATOM 854 CA ILE A 55 -2.438 -4.941 -10.582 1.00 0.00 C ATOM 855 C ILE A 55 -1.228 -4.735 -11.469 1.00 0.00 C ATOM 856 O ILE A 55 -1.350 -4.442 -12.667 1.00 0.00 O ATOM 857 CB ILE A 55 -3.405 -5.926 -11.299 1.00 0.00 C ATOM 858 CG1 ILE A 55 -4.690 -6.126 -10.487 1.00 0.00 C ATOM 859 CG2 ILE A 55 -2.716 -7.271 -11.568 1.00 0.00 C ATOM 860 CD1 ILE A 55 -5.666 -7.089 -11.123 1.00 0.00 C ATOM 0 H ILE A 55 -3.696 -3.381 -11.094 1.00 0.00 H new ATOM 0 HA ILE A 55 -2.180 -5.373 -9.615 1.00 0.00 H new ATOM 0 HB ILE A 55 -3.678 -5.487 -12.258 1.00 0.00 H new ATOM 0 HG12 ILE A 55 -4.429 -6.490 -9.494 1.00 0.00 H new ATOM 0 HG13 ILE A 55 -5.179 -5.161 -10.354 1.00 0.00 H new ATOM 0 HG21 ILE A 55 -3.412 -7.943 -12.070 1.00 0.00 H new ATOM 0 HG22 ILE A 55 -1.844 -7.113 -12.202 1.00 0.00 H new ATOM 0 HG23 ILE A 55 -2.402 -7.714 -10.623 1.00 0.00 H new ATOM 0 HD11 ILE A 55 -6.550 -7.180 -10.492 1.00 0.00 H new ATOM 0 HD12 ILE A 55 -5.957 -6.716 -12.105 1.00 0.00 H new ATOM 0 HD13 ILE A 55 -5.195 -8.066 -11.231 1.00 0.00 H new ATOM 872 N VAL A 56 -0.087 -4.851 -10.893 1.00 0.00 N ATOM 873 CA VAL A 56 1.132 -4.633 -11.589 1.00 0.00 C ATOM 874 C VAL A 56 1.658 -5.937 -12.093 1.00 0.00 C ATOM 875 O VAL A 56 2.003 -6.063 -13.269 1.00 0.00 O ATOM 876 CB VAL A 56 2.194 -3.983 -10.679 1.00 0.00 C ATOM 877 CG1 VAL A 56 3.510 -3.823 -11.420 1.00 0.00 C ATOM 878 CG2 VAL A 56 1.712 -2.640 -10.171 1.00 0.00 C ATOM 0 H VAL A 56 0.030 -5.103 -9.912 1.00 0.00 H new ATOM 0 HA VAL A 56 0.928 -3.957 -12.419 1.00 0.00 H new ATOM 0 HB VAL A 56 2.356 -4.640 -9.824 1.00 0.00 H new ATOM 0 HG11 VAL A 56 4.245 -3.363 -10.760 1.00 0.00 H new ATOM 0 HG12 VAL A 56 3.870 -4.802 -11.738 1.00 0.00 H new ATOM 0 HG13 VAL A 56 3.360 -3.190 -12.295 1.00 0.00 H new ATOM 0 HG21 VAL A 56 2.475 -2.198 -9.531 1.00 0.00 H new ATOM 0 HG22 VAL A 56 1.520 -1.979 -11.016 1.00 0.00 H new ATOM 0 HG23 VAL A 56 0.794 -2.775 -9.600 1.00 0.00 H new ATOM 888 N GLY A 57 1.690 -6.916 -11.229 1.00 0.00 N ATOM 889 CA GLY A 57 2.293 -8.148 -11.645 1.00 0.00 C ATOM 890 C GLY A 57 2.003 -9.321 -10.765 1.00 0.00 C ATOM 891 O GLY A 57 1.385 -9.189 -9.709 1.00 0.00 O ATOM 0 H GLY A 57 1.324 -6.889 -10.277 1.00 0.00 H new ATOM 0 HA2 GLY A 57 1.954 -8.378 -12.655 1.00 0.00 H new ATOM 0 HA3 GLY A 57 3.373 -8.008 -11.695 1.00 0.00 H new ATOM 895 N SER A 58 2.522 -10.440 -11.178 1.00 0.00 N ATOM 896 CA SER A 58 2.352 -11.759 -10.586 1.00 0.00 C ATOM 897 C SER A 58 3.112 -11.958 -9.245 1.00 0.00 C ATOM 898 O SER A 58 3.605 -13.069 -9.004 1.00 0.00 O ATOM 899 CB SER A 58 2.892 -12.726 -11.641 1.00 0.00 C ATOM 900 OG SER A 58 4.110 -12.220 -12.213 1.00 0.00 O ATOM 0 H SER A 58 3.124 -10.469 -12.001 1.00 0.00 H new ATOM 0 HA SER A 58 1.304 -11.918 -10.331 1.00 0.00 H new ATOM 0 HB2 SER A 58 3.073 -13.701 -11.190 1.00 0.00 H new ATOM 0 HB3 SER A 58 2.148 -12.871 -12.425 1.00 0.00 H new ATOM 0 HG SER A 58 4.443 -12.851 -12.885 1.00 0.00 H new ATOM 906 N ASP A 59 3.045 -10.936 -8.327 1.00 0.00 N ATOM 907 CA ASP A 59 3.844 -10.827 -7.120 1.00 0.00 C ATOM 908 C ASP A 59 4.066 -9.294 -6.840 1.00 0.00 C ATOM 909 O ASP A 59 4.812 -8.904 -5.948 1.00 0.00 O ATOM 910 CB ASP A 59 5.213 -11.563 -7.236 1.00 0.00 C ATOM 911 CG ASP A 59 6.316 -10.807 -7.959 1.00 0.00 C ATOM 912 OD1 ASP A 59 6.122 -10.355 -9.107 1.00 0.00 O ATOM 913 OD2 ASP A 59 7.425 -10.690 -7.409 1.00 0.00 O ATOM 0 H ASP A 59 2.401 -10.153 -8.440 1.00 0.00 H new ATOM 0 HA ASP A 59 3.315 -11.309 -6.298 1.00 0.00 H new ATOM 0 HB2 ASP A 59 5.561 -11.801 -6.231 1.00 0.00 H new ATOM 0 HB3 ASP A 59 5.051 -12.510 -7.750 1.00 0.00 H new ATOM 918 N ARG A 60 3.396 -8.428 -7.649 1.00 0.00 N ATOM 919 CA ARG A 60 3.415 -6.942 -7.480 1.00 0.00 C ATOM 920 C ARG A 60 1.977 -6.382 -7.439 1.00 0.00 C ATOM 921 O ARG A 60 1.155 -6.690 -8.320 1.00 0.00 O ATOM 922 CB ARG A 60 4.166 -6.228 -8.623 1.00 0.00 C ATOM 923 CG ARG A 60 5.672 -5.997 -8.450 1.00 0.00 C ATOM 924 CD ARG A 60 6.493 -7.266 -8.432 1.00 0.00 C ATOM 925 NE ARG A 60 7.927 -6.974 -8.572 1.00 0.00 N ATOM 926 CZ ARG A 60 8.821 -7.774 -9.164 1.00 0.00 C ATOM 927 NH1 ARG A 60 8.497 -9.013 -9.488 1.00 0.00 N ATOM 928 NH2 ARG A 60 10.054 -7.335 -9.405 1.00 0.00 N ATOM 0 H ARG A 60 2.827 -8.737 -8.437 1.00 0.00 H new ATOM 0 HA ARG A 60 3.934 -6.751 -6.541 1.00 0.00 H new ATOM 0 HB2 ARG A 60 4.018 -6.807 -9.535 1.00 0.00 H new ATOM 0 HB3 ARG A 60 3.694 -5.258 -8.781 1.00 0.00 H new ATOM 0 HG2 ARG A 60 6.026 -5.359 -9.260 1.00 0.00 H new ATOM 0 HG3 ARG A 60 5.841 -5.454 -7.520 1.00 0.00 H new ATOM 0 HD2 ARG A 60 6.318 -7.802 -7.499 1.00 0.00 H new ATOM 0 HD3 ARG A 60 6.172 -7.921 -9.242 1.00 0.00 H new ATOM 0 HE ARG A 60 8.267 -6.092 -8.188 1.00 0.00 H new ATOM 0 HH11 ARG A 60 7.561 -9.365 -9.287 1.00 0.00 H new ATOM 0 HH12 ARG A 60 9.183 -9.618 -9.939 1.00 0.00 H new ATOM 0 HH21 ARG A 60 10.319 -6.387 -9.138 1.00 0.00 H new ATOM 0 HH22 ARG A 60 10.734 -7.947 -9.856 1.00 0.00 H new ATOM 942 N ALA A 61 1.701 -5.513 -6.481 1.00 0.00 N ATOM 943 CA ALA A 61 0.363 -4.948 -6.260 1.00 0.00 C ATOM 944 C ALA A 61 0.530 -3.511 -5.831 1.00 0.00 C ATOM 945 O ALA A 61 1.646 -3.123 -5.462 1.00 0.00 O ATOM 946 CB ALA A 61 -0.322 -5.727 -5.134 1.00 0.00 C ATOM 0 H ALA A 61 2.401 -5.171 -5.823 1.00 0.00 H new ATOM 0 HA ALA A 61 -0.237 -5.010 -7.168 1.00 0.00 H new ATOM 0 HB1 ALA A 61 -1.317 -5.317 -4.961 1.00 0.00 H new ATOM 0 HB2 ALA A 61 -0.407 -6.776 -5.417 1.00 0.00 H new ATOM 0 HB3 ALA A 61 0.269 -5.643 -4.222 1.00 0.00 H new ATOM 952 N ILE A 62 -0.508 -2.681 -5.927 1.00 0.00 N ATOM 953 CA ILE A 62 -0.382 -1.351 -5.330 1.00 0.00 C ATOM 954 C ILE A 62 -1.605 -0.975 -4.639 1.00 0.00 C ATOM 955 O ILE A 62 -2.718 -1.383 -5.066 1.00 0.00 O ATOM 956 CB ILE A 62 -0.147 -0.125 -6.314 1.00 0.00 C ATOM 957 CG1 ILE A 62 -1.470 0.722 -6.534 1.00 0.00 C ATOM 958 CG2 ILE A 62 0.463 -0.519 -7.609 1.00 0.00 C ATOM 959 CD1 ILE A 62 -1.302 1.904 -7.460 1.00 0.00 C ATOM 0 H ILE A 62 -1.397 -2.886 -6.384 1.00 0.00 H new ATOM 0 HA ILE A 62 0.500 -1.488 -4.705 1.00 0.00 H new ATOM 0 HB ILE A 62 0.580 0.515 -5.815 1.00 0.00 H new ATOM 0 HG12 ILE A 62 -2.244 0.068 -6.935 1.00 0.00 H new ATOM 0 HG13 ILE A 62 -1.824 1.080 -5.567 1.00 0.00 H new ATOM 0 HG21 ILE A 62 0.596 0.365 -8.233 1.00 0.00 H new ATOM 0 HG22 ILE A 62 1.432 -0.984 -7.428 1.00 0.00 H new ATOM 0 HG23 ILE A 62 -0.190 -1.227 -8.118 1.00 0.00 H new ATOM 0 HD11 ILE A 62 -2.252 2.429 -7.556 1.00 0.00 H new ATOM 0 HD12 ILE A 62 -0.553 2.582 -7.052 1.00 0.00 H new ATOM 0 HD13 ILE A 62 -0.980 1.555 -8.441 1.00 0.00 H new ATOM 971 N PHE A 63 -1.400 -0.068 -3.701 1.00 0.00 N ATOM 972 CA PHE A 63 -2.441 0.720 -3.160 1.00 0.00 C ATOM 973 C PHE A 63 -1.984 2.172 -3.246 1.00 0.00 C ATOM 974 O PHE A 63 -0.943 2.564 -2.711 1.00 0.00 O ATOM 975 CB PHE A 63 -2.922 0.293 -1.765 1.00 0.00 C ATOM 976 CG PHE A 63 -1.965 0.414 -0.654 1.00 0.00 C ATOM 977 CD1 PHE A 63 -0.830 -0.372 -0.608 1.00 0.00 C ATOM 978 CD2 PHE A 63 -2.224 1.285 0.385 1.00 0.00 C ATOM 979 CE1 PHE A 63 0.027 -0.286 0.451 1.00 0.00 C ATOM 980 CE2 PHE A 63 -1.362 1.368 1.425 1.00 0.00 C ATOM 981 CZ PHE A 63 -0.239 0.585 1.464 1.00 0.00 C ATOM 0 H PHE A 63 -0.482 0.129 -3.301 1.00 0.00 H new ATOM 0 HA PHE A 63 -3.347 0.574 -3.748 1.00 0.00 H new ATOM 0 HB2 PHE A 63 -3.803 0.884 -1.517 1.00 0.00 H new ATOM 0 HB3 PHE A 63 -3.242 -0.747 -1.823 1.00 0.00 H new ATOM 0 HD1 PHE A 63 -0.619 -1.059 -1.415 1.00 0.00 H new ATOM 0 HD2 PHE A 63 -3.112 1.899 0.368 1.00 0.00 H new ATOM 0 HE1 PHE A 63 0.911 -0.905 0.486 1.00 0.00 H new ATOM 0 HE2 PHE A 63 -1.561 2.058 2.232 1.00 0.00 H new ATOM 0 HZ PHE A 63 0.439 0.658 2.302 1.00 0.00 H new ATOM 991 N MET A 64 -2.662 2.911 -4.044 1.00 0.00 N ATOM 992 CA MET A 64 -2.318 4.307 -4.254 1.00 0.00 C ATOM 993 C MET A 64 -3.156 5.213 -3.398 1.00 0.00 C ATOM 994 O MET A 64 -4.410 5.275 -3.518 1.00 0.00 O ATOM 995 CB MET A 64 -2.342 4.700 -5.746 1.00 0.00 C ATOM 996 CG MET A 64 -1.948 6.136 -6.049 1.00 0.00 C ATOM 997 SD MET A 64 -1.455 6.352 -7.758 1.00 0.00 S ATOM 998 CE MET A 64 -0.921 8.061 -7.741 1.00 0.00 C ATOM 0 H MET A 64 -3.470 2.588 -4.577 1.00 0.00 H new ATOM 0 HA MET A 64 -1.285 4.438 -3.932 1.00 0.00 H new ATOM 0 HB2 MET A 64 -1.672 4.035 -6.290 1.00 0.00 H new ATOM 0 HB3 MET A 64 -3.346 4.527 -6.133 1.00 0.00 H new ATOM 0 HG2 MET A 64 -2.787 6.796 -5.828 1.00 0.00 H new ATOM 0 HG3 MET A 64 -1.128 6.432 -5.395 1.00 0.00 H new ATOM 0 HE1 MET A 64 -0.315 8.261 -8.624 1.00 0.00 H new ATOM 0 HE2 MET A 64 -1.793 8.715 -7.744 1.00 0.00 H new ATOM 0 HE3 MET A 64 -0.330 8.249 -6.845 1.00 0.00 H new ATOM 1008 N LEU A 65 -2.438 5.898 -2.559 1.00 0.00 N ATOM 1009 CA LEU A 65 -2.905 6.798 -1.547 1.00 0.00 C ATOM 1010 C LEU A 65 -3.395 8.056 -2.128 1.00 0.00 C ATOM 1011 O LEU A 65 -2.841 8.568 -3.116 1.00 0.00 O ATOM 1012 CB LEU A 65 -1.795 7.228 -0.619 1.00 0.00 C ATOM 1013 CG LEU A 65 -1.142 6.245 0.301 1.00 0.00 C ATOM 1014 CD1 LEU A 65 -0.380 5.163 -0.433 1.00 0.00 C ATOM 1015 CD2 LEU A 65 -0.244 7.023 1.220 1.00 0.00 C ATOM 0 H LEU A 65 -1.420 5.835 -2.566 1.00 0.00 H new ATOM 0 HA LEU A 65 -3.687 6.247 -1.024 1.00 0.00 H new ATOM 0 HB2 LEU A 65 -1.008 7.658 -1.239 1.00 0.00 H new ATOM 0 HB3 LEU A 65 -2.189 8.033 0.001 1.00 0.00 H new ATOM 0 HG LEU A 65 -1.910 5.714 0.864 1.00 0.00 H new ATOM 0 HD11 LEU A 65 0.071 4.482 0.289 1.00 0.00 H new ATOM 0 HD12 LEU A 65 -1.064 4.609 -1.077 1.00 0.00 H new ATOM 0 HD13 LEU A 65 0.403 5.617 -1.040 1.00 0.00 H new ATOM 0 HD21 LEU A 65 0.252 6.339 1.909 1.00 0.00 H new ATOM 0 HD22 LEU A 65 0.505 7.554 0.633 1.00 0.00 H new ATOM 0 HD23 LEU A 65 -0.837 7.741 1.786 1.00 0.00 H new ATOM 1027 N ARG A 66 -4.380 8.575 -1.502 1.00 0.00 N ATOM 1028 CA ARG A 66 -4.913 9.870 -1.919 1.00 0.00 C ATOM 1029 C ARG A 66 -4.818 11.000 -0.854 1.00 0.00 C ATOM 1030 O ARG A 66 -4.115 11.973 -1.092 1.00 0.00 O ATOM 1031 CB ARG A 66 -6.266 9.806 -2.673 1.00 0.00 C ATOM 1032 CG ARG A 66 -6.734 11.166 -3.176 1.00 0.00 C ATOM 1033 CD ARG A 66 -8.052 11.080 -3.913 1.00 0.00 C ATOM 1034 NE ARG A 66 -8.468 12.387 -4.449 1.00 0.00 N ATOM 1035 CZ ARG A 66 -9.735 12.779 -4.632 1.00 0.00 C ATOM 1036 NH1 ARG A 66 -10.736 12.068 -4.133 1.00 0.00 N ATOM 1037 NH2 ARG A 66 -9.980 13.917 -5.262 1.00 0.00 N ATOM 0 H ARG A 66 -4.850 8.150 -0.702 1.00 0.00 H new ATOM 0 HA ARG A 66 -4.205 10.189 -2.685 1.00 0.00 H new ATOM 0 HB2 ARG A 66 -6.172 9.125 -3.519 1.00 0.00 H new ATOM 0 HB3 ARG A 66 -7.025 9.389 -2.011 1.00 0.00 H new ATOM 0 HG2 ARG A 66 -6.835 11.848 -2.332 1.00 0.00 H new ATOM 0 HG3 ARG A 66 -5.977 11.587 -3.837 1.00 0.00 H new ATOM 0 HD2 ARG A 66 -7.965 10.364 -4.730 1.00 0.00 H new ATOM 0 HD3 ARG A 66 -8.821 10.703 -3.239 1.00 0.00 H new ATOM 0 HE ARG A 66 -7.732 13.047 -4.701 1.00 0.00 H new ATOM 0 HH11 ARG A 66 -10.543 11.216 -3.606 1.00 0.00 H new ATOM 0 HH12 ARG A 66 -11.699 12.372 -4.276 1.00 0.00 H new ATOM 0 HH21 ARG A 66 -9.207 14.488 -5.604 1.00 0.00 H new ATOM 0 HH22 ARG A 66 -10.942 14.223 -5.406 1.00 0.00 H new ATOM 1051 N ASP A 67 -5.469 10.882 0.324 1.00 0.00 N ATOM 1052 CA ASP A 67 -5.423 11.978 1.346 1.00 0.00 C ATOM 1053 C ASP A 67 -4.021 12.099 2.053 1.00 0.00 C ATOM 1054 O ASP A 67 -3.897 12.769 3.082 1.00 0.00 O ATOM 1055 CB ASP A 67 -6.492 11.686 2.425 1.00 0.00 C ATOM 1056 CG ASP A 67 -6.861 12.885 3.282 1.00 0.00 C ATOM 1057 OD1 ASP A 67 -7.677 13.721 2.838 1.00 0.00 O ATOM 1058 OD2 ASP A 67 -6.362 13.002 4.410 1.00 0.00 O ATOM 0 H ASP A 67 -6.020 10.068 0.596 1.00 0.00 H new ATOM 0 HA ASP A 67 -5.611 12.918 0.827 1.00 0.00 H new ATOM 0 HB2 ASP A 67 -7.392 11.313 1.936 1.00 0.00 H new ATOM 0 HB3 ASP A 67 -6.128 10.889 3.074 1.00 0.00 H new ATOM 1063 N GLY A 68 -2.955 11.517 1.464 1.00 0.00 N ATOM 1064 CA GLY A 68 -1.653 11.357 2.108 1.00 0.00 C ATOM 1065 C GLY A 68 -1.639 10.555 3.436 1.00 0.00 C ATOM 1066 O GLY A 68 -0.711 9.795 3.682 1.00 0.00 O ATOM 0 H GLY A 68 -2.985 11.143 0.515 1.00 0.00 H new ATOM 0 HA2 GLY A 68 -0.981 10.866 1.404 1.00 0.00 H new ATOM 0 HA3 GLY A 68 -1.243 12.348 2.302 1.00 0.00 H new ATOM 1070 N SER A 69 -2.703 10.648 4.208 1.00 0.00 N ATOM 1071 CA SER A 69 -2.729 10.194 5.599 1.00 0.00 C ATOM 1072 C SER A 69 -3.240 8.751 5.829 1.00 0.00 C ATOM 1073 O SER A 69 -3.612 8.399 6.947 1.00 0.00 O ATOM 1074 CB SER A 69 -3.578 11.194 6.370 1.00 0.00 C ATOM 1075 OG SER A 69 -3.123 12.518 6.106 1.00 0.00 O ATOM 0 H SER A 69 -3.588 11.044 3.891 1.00 0.00 H new ATOM 0 HA SER A 69 -1.698 10.152 5.949 1.00 0.00 H new ATOM 0 HB2 SER A 69 -4.625 11.095 6.082 1.00 0.00 H new ATOM 0 HB3 SER A 69 -3.521 10.986 7.438 1.00 0.00 H new ATOM 0 HG SER A 69 -3.674 13.158 6.603 1.00 0.00 H new ATOM 1081 N TYR A 70 -3.221 7.922 4.823 1.00 0.00 N ATOM 1082 CA TYR A 70 -3.650 6.550 4.974 1.00 0.00 C ATOM 1083 C TYR A 70 -2.892 5.648 4.061 1.00 0.00 C ATOM 1084 O TYR A 70 -2.838 5.913 2.869 1.00 0.00 O ATOM 1085 CB TYR A 70 -5.175 6.375 4.782 1.00 0.00 C ATOM 1086 CG TYR A 70 -5.818 7.069 3.569 1.00 0.00 C ATOM 1087 CD1 TYR A 70 -5.398 6.853 2.258 1.00 0.00 C ATOM 1088 CD2 TYR A 70 -6.872 7.898 3.757 1.00 0.00 C ATOM 1089 CE1 TYR A 70 -5.988 7.446 1.204 1.00 0.00 C ATOM 1090 CE2 TYR A 70 -7.484 8.508 2.712 1.00 0.00 C ATOM 1091 CZ TYR A 70 -7.038 8.283 1.430 1.00 0.00 C ATOM 1092 OH TYR A 70 -7.627 8.923 0.384 1.00 0.00 O ATOM 0 H TYR A 70 -2.912 8.169 3.883 1.00 0.00 H new ATOM 0 HA TYR A 70 -3.429 6.267 6.003 1.00 0.00 H new ATOM 0 HB2 TYR A 70 -5.386 5.308 4.711 1.00 0.00 H new ATOM 0 HB3 TYR A 70 -5.672 6.739 5.681 1.00 0.00 H new ATOM 0 HD1 TYR A 70 -4.568 6.185 2.081 1.00 0.00 H new ATOM 0 HD2 TYR A 70 -7.232 8.077 4.759 1.00 0.00 H new ATOM 0 HE1 TYR A 70 -5.636 7.262 0.200 1.00 0.00 H new ATOM 0 HE2 TYR A 70 -8.320 9.169 2.886 1.00 0.00 H new ATOM 0 HH TYR A 70 -7.909 8.265 -0.285 1.00 0.00 H new ATOM 1102 N ALA A 71 -2.275 4.614 4.625 1.00 0.00 N ATOM 1103 CA ALA A 71 -1.556 3.602 3.854 1.00 0.00 C ATOM 1104 C ALA A 71 -0.785 2.650 4.739 1.00 0.00 C ATOM 1105 O ALA A 71 -0.621 1.483 4.424 1.00 0.00 O ATOM 1106 CB ALA A 71 -0.553 4.220 2.893 1.00 0.00 C ATOM 0 H ALA A 71 -2.259 4.453 5.632 1.00 0.00 H new ATOM 0 HA ALA A 71 -2.330 3.066 3.305 1.00 0.00 H new ATOM 0 HB1 ALA A 71 -0.043 3.430 2.342 1.00 0.00 H new ATOM 0 HB2 ALA A 71 -1.074 4.872 2.193 1.00 0.00 H new ATOM 0 HB3 ALA A 71 0.178 4.801 3.455 1.00 0.00 H new ATOM 1112 N TRP A 72 -0.329 3.117 5.858 1.00 0.00 N ATOM 1113 CA TRP A 72 0.648 2.357 6.567 1.00 0.00 C ATOM 1114 C TRP A 72 0.070 1.349 7.547 1.00 0.00 C ATOM 1115 O TRP A 72 0.600 0.213 7.734 1.00 0.00 O ATOM 1116 CB TRP A 72 1.840 3.266 6.968 1.00 0.00 C ATOM 1117 CG TRP A 72 2.422 3.707 5.646 1.00 0.00 C ATOM 1118 CD1 TRP A 72 2.953 2.858 4.757 1.00 0.00 C ATOM 1119 CD2 TRP A 72 2.469 5.030 5.000 1.00 0.00 C ATOM 1120 NE1 TRP A 72 3.262 3.482 3.623 1.00 0.00 N ATOM 1121 CE2 TRP A 72 2.998 4.804 3.718 1.00 0.00 C ATOM 1122 CE3 TRP A 72 2.115 6.347 5.337 1.00 0.00 C ATOM 1123 CZ2 TRP A 72 3.173 5.817 2.764 1.00 0.00 C ATOM 1124 CZ3 TRP A 72 2.314 7.352 4.368 1.00 0.00 C ATOM 1125 CH2 TRP A 72 2.832 7.054 3.104 1.00 0.00 C ATOM 0 H TRP A 72 -0.608 3.997 6.291 1.00 0.00 H new ATOM 0 HA TRP A 72 1.125 1.625 5.915 1.00 0.00 H new ATOM 0 HB2 TRP A 72 1.510 4.118 7.563 1.00 0.00 H new ATOM 0 HB3 TRP A 72 2.572 2.724 7.566 1.00 0.00 H new ATOM 0 HD1 TRP A 72 3.110 1.805 4.937 1.00 0.00 H new ATOM 0 HE1 TRP A 72 3.646 3.025 2.796 1.00 0.00 H new ATOM 0 HE3 TRP A 72 1.704 6.582 6.307 1.00 0.00 H new ATOM 0 HZ2 TRP A 72 3.572 5.598 1.785 1.00 0.00 H new ATOM 0 HZ3 TRP A 72 2.061 8.374 4.607 1.00 0.00 H new ATOM 0 HH2 TRP A 72 2.958 7.851 2.386 1.00 0.00 H new ATOM 1136 N GLU A 73 -1.085 1.675 8.033 1.00 0.00 N ATOM 1137 CA GLU A 73 -1.854 0.747 8.803 1.00 0.00 C ATOM 1138 C GLU A 73 -2.387 -0.300 7.783 1.00 0.00 C ATOM 1139 O GLU A 73 -2.364 -1.537 8.026 1.00 0.00 O ATOM 1140 CB GLU A 73 -2.976 1.516 9.487 1.00 0.00 C ATOM 1141 CG GLU A 73 -3.779 0.745 10.496 1.00 0.00 C ATOM 1142 CD GLU A 73 -4.824 1.615 11.130 1.00 0.00 C ATOM 1143 OE1 GLU A 73 -5.950 1.689 10.607 1.00 0.00 O ATOM 1144 OE2 GLU A 73 -4.528 2.285 12.158 1.00 0.00 O ATOM 0 H GLU A 73 -1.522 2.588 7.909 1.00 0.00 H new ATOM 0 HA GLU A 73 -1.286 0.242 9.584 1.00 0.00 H new ATOM 0 HB2 GLU A 73 -2.545 2.386 9.982 1.00 0.00 H new ATOM 0 HB3 GLU A 73 -3.654 1.890 8.720 1.00 0.00 H new ATOM 0 HG2 GLU A 73 -4.255 -0.108 10.012 1.00 0.00 H new ATOM 0 HG3 GLU A 73 -3.117 0.346 11.265 1.00 0.00 H new ATOM 1151 N ILE A 74 -2.772 0.227 6.595 1.00 0.00 N ATOM 1152 CA ILE A 74 -3.174 -0.583 5.459 1.00 0.00 C ATOM 1153 C ILE A 74 -2.086 -1.688 5.140 1.00 0.00 C ATOM 1154 O ILE A 74 -2.418 -2.926 5.030 1.00 0.00 O ATOM 1155 CB ILE A 74 -3.470 0.291 4.143 1.00 0.00 C ATOM 1156 CG1 ILE A 74 -4.808 1.055 4.177 1.00 0.00 C ATOM 1157 CG2 ILE A 74 -3.484 -0.616 2.984 1.00 0.00 C ATOM 1158 CD1 ILE A 74 -4.883 2.265 3.254 1.00 0.00 C ATOM 0 H ILE A 74 -2.807 1.230 6.415 1.00 0.00 H new ATOM 0 HA ILE A 74 -4.108 -1.067 5.744 1.00 0.00 H new ATOM 0 HB ILE A 74 -2.684 1.044 4.083 1.00 0.00 H new ATOM 0 HG12 ILE A 74 -5.610 0.365 3.913 1.00 0.00 H new ATOM 0 HG13 ILE A 74 -4.995 1.385 5.199 1.00 0.00 H new ATOM 0 HG21 ILE A 74 -3.683 -0.045 2.077 1.00 0.00 H new ATOM 0 HG22 ILE A 74 -2.516 -1.109 2.896 1.00 0.00 H new ATOM 0 HG23 ILE A 74 -4.263 -1.366 3.119 1.00 0.00 H new ATOM 0 HD11 ILE A 74 -5.862 2.735 3.349 1.00 0.00 H new ATOM 0 HD12 ILE A 74 -4.108 2.981 3.529 1.00 0.00 H new ATOM 0 HD13 ILE A 74 -4.733 1.946 2.223 1.00 0.00 H new ATOM 1170 N LYS A 75 -0.785 -1.269 5.059 1.00 0.00 N ATOM 1171 CA LYS A 75 0.265 -2.189 4.694 1.00 0.00 C ATOM 1172 C LYS A 75 0.440 -3.211 5.766 1.00 0.00 C ATOM 1173 O LYS A 75 0.658 -4.389 5.460 1.00 0.00 O ATOM 1174 CB LYS A 75 1.620 -1.510 4.361 1.00 0.00 C ATOM 1175 CG LYS A 75 2.371 -0.903 5.542 1.00 0.00 C ATOM 1176 CD LYS A 75 3.747 -0.422 5.132 1.00 0.00 C ATOM 1177 CE LYS A 75 4.520 0.185 6.292 1.00 0.00 C ATOM 1178 NZ LYS A 75 4.774 -0.777 7.372 1.00 0.00 N ATOM 0 H LYS A 75 -0.474 -0.315 5.243 1.00 0.00 H new ATOM 0 HA LYS A 75 -0.056 -2.666 3.768 1.00 0.00 H new ATOM 0 HB2 LYS A 75 2.266 -2.248 3.885 1.00 0.00 H new ATOM 0 HB3 LYS A 75 1.440 -0.724 3.628 1.00 0.00 H new ATOM 0 HG2 LYS A 75 1.799 -0.070 5.950 1.00 0.00 H new ATOM 0 HG3 LYS A 75 2.464 -1.644 6.336 1.00 0.00 H new ATOM 0 HD2 LYS A 75 4.313 -1.258 4.720 1.00 0.00 H new ATOM 0 HD3 LYS A 75 3.648 0.318 4.338 1.00 0.00 H new ATOM 0 HE2 LYS A 75 5.471 0.573 5.926 1.00 0.00 H new ATOM 0 HE3 LYS A 75 3.962 1.033 6.690 1.00 0.00 H new ATOM 0 HZ1 LYS A 75 5.443 -0.365 8.054 1.00 0.00 H new ATOM 0 HZ2 LYS A 75 3.881 -1.000 7.855 1.00 0.00 H new ATOM 0 HZ3 LYS A 75 5.179 -1.648 6.973 1.00 0.00 H new ATOM 1192 N ASP A 76 0.311 -2.779 7.040 1.00 0.00 N ATOM 1193 CA ASP A 76 0.404 -3.736 8.143 1.00 0.00 C ATOM 1194 C ASP A 76 -0.586 -4.859 7.944 1.00 0.00 C ATOM 1195 O ASP A 76 -0.196 -6.047 7.994 1.00 0.00 O ATOM 1196 CB ASP A 76 0.164 -3.099 9.515 1.00 0.00 C ATOM 1197 CG ASP A 76 0.313 -4.105 10.660 1.00 0.00 C ATOM 1198 OD1 ASP A 76 -0.683 -4.784 11.035 1.00 0.00 O ATOM 1199 OD2 ASP A 76 1.429 -4.220 11.226 1.00 0.00 O ATOM 0 H ASP A 76 0.149 -1.810 7.315 1.00 0.00 H new ATOM 0 HA ASP A 76 1.425 -4.117 8.131 1.00 0.00 H new ATOM 0 HB2 ASP A 76 0.868 -2.280 9.661 1.00 0.00 H new ATOM 0 HB3 ASP A 76 -0.837 -2.667 9.542 1.00 0.00 H new ATOM 1204 N PHE A 77 -1.843 -4.498 7.601 1.00 0.00 N ATOM 1205 CA PHE A 77 -2.895 -5.506 7.490 1.00 0.00 C ATOM 1206 C PHE A 77 -2.529 -6.502 6.431 1.00 0.00 C ATOM 1207 O PHE A 77 -2.329 -7.688 6.694 1.00 0.00 O ATOM 1208 CB PHE A 77 -4.265 -4.923 7.100 1.00 0.00 C ATOM 1209 CG PHE A 77 -4.791 -3.807 7.948 1.00 0.00 C ATOM 1210 CD1 PHE A 77 -4.724 -3.862 9.324 1.00 0.00 C ATOM 1211 CD2 PHE A 77 -5.389 -2.710 7.354 1.00 0.00 C ATOM 1212 CE1 PHE A 77 -5.240 -2.842 10.093 1.00 0.00 C ATOM 1213 CE2 PHE A 77 -5.903 -1.688 8.116 1.00 0.00 C ATOM 1214 CZ PHE A 77 -5.829 -1.755 9.487 1.00 0.00 C ATOM 0 H PHE A 77 -2.138 -3.542 7.403 1.00 0.00 H new ATOM 0 HA PHE A 77 -2.978 -5.958 8.478 1.00 0.00 H new ATOM 0 HB2 PHE A 77 -4.202 -4.567 6.072 1.00 0.00 H new ATOM 0 HB3 PHE A 77 -4.995 -5.733 7.113 1.00 0.00 H new ATOM 0 HD1 PHE A 77 -4.263 -4.713 9.804 1.00 0.00 H new ATOM 0 HD2 PHE A 77 -5.453 -2.656 6.277 1.00 0.00 H new ATOM 0 HE1 PHE A 77 -5.183 -2.895 11.170 1.00 0.00 H new ATOM 0 HE2 PHE A 77 -6.363 -0.835 7.639 1.00 0.00 H new ATOM 0 HZ PHE A 77 -6.233 -0.955 10.089 1.00 0.00 H new ATOM 1224 N LEU A 78 -2.351 -6.009 5.249 1.00 0.00 N ATOM 1225 CA LEU A 78 -2.172 -6.887 4.132 1.00 0.00 C ATOM 1226 C LEU A 78 -0.924 -7.781 4.167 1.00 0.00 C ATOM 1227 O LEU A 78 -1.008 -9.004 3.852 1.00 0.00 O ATOM 1228 CB LEU A 78 -2.357 -6.164 2.850 1.00 0.00 C ATOM 1229 CG LEU A 78 -1.626 -4.864 2.636 1.00 0.00 C ATOM 1230 CD1 LEU A 78 -0.148 -5.034 2.510 1.00 0.00 C ATOM 1231 CD2 LEU A 78 -2.127 -4.301 1.426 1.00 0.00 C ATOM 0 H LEU A 78 -2.325 -5.013 5.029 1.00 0.00 H new ATOM 0 HA LEU A 78 -2.971 -7.623 4.219 1.00 0.00 H new ATOM 0 HB2 LEU A 78 -2.069 -6.841 2.045 1.00 0.00 H new ATOM 0 HB3 LEU A 78 -3.423 -5.966 2.734 1.00 0.00 H new ATOM 0 HG LEU A 78 -1.794 -4.226 3.504 1.00 0.00 H new ATOM 0 HD11 LEU A 78 0.319 -4.061 2.358 1.00 0.00 H new ATOM 0 HD12 LEU A 78 0.245 -5.486 3.420 1.00 0.00 H new ATOM 0 HD13 LEU A 78 0.073 -5.679 1.660 1.00 0.00 H new ATOM 0 HD21 LEU A 78 -1.624 -3.354 1.230 1.00 0.00 H new ATOM 0 HD22 LEU A 78 -1.941 -4.988 0.601 1.00 0.00 H new ATOM 0 HD23 LEU A 78 -3.199 -4.129 1.521 1.00 0.00 H new ATOM 1243 N VAL A 79 0.209 -7.247 4.607 1.00 0.00 N ATOM 1244 CA VAL A 79 1.384 -8.075 4.646 1.00 0.00 C ATOM 1245 C VAL A 79 1.397 -8.959 5.857 1.00 0.00 C ATOM 1246 O VAL A 79 2.182 -9.908 5.945 1.00 0.00 O ATOM 1247 CB VAL A 79 2.729 -7.352 4.405 1.00 0.00 C ATOM 1248 CG1 VAL A 79 2.769 -6.788 2.995 1.00 0.00 C ATOM 1249 CG2 VAL A 79 3.028 -6.285 5.446 1.00 0.00 C ATOM 0 H VAL A 79 0.329 -6.286 4.927 1.00 0.00 H new ATOM 0 HA VAL A 79 1.297 -8.714 3.767 1.00 0.00 H new ATOM 0 HB VAL A 79 3.521 -8.093 4.512 1.00 0.00 H new ATOM 0 HG11 VAL A 79 3.720 -6.280 2.833 1.00 0.00 H new ATOM 0 HG12 VAL A 79 2.664 -7.600 2.275 1.00 0.00 H new ATOM 0 HG13 VAL A 79 1.952 -6.079 2.864 1.00 0.00 H new ATOM 0 HG21 VAL A 79 3.985 -5.815 5.221 1.00 0.00 H new ATOM 0 HG22 VAL A 79 2.241 -5.531 5.431 1.00 0.00 H new ATOM 0 HG23 VAL A 79 3.072 -6.743 6.434 1.00 0.00 H new ATOM 1259 N SER A 80 0.523 -8.669 6.791 1.00 0.00 N ATOM 1260 CA SER A 80 0.295 -9.576 7.855 1.00 0.00 C ATOM 1261 C SER A 80 -0.939 -10.412 7.525 1.00 0.00 C ATOM 1262 O SER A 80 -1.325 -11.280 8.298 1.00 0.00 O ATOM 1263 CB SER A 80 0.084 -8.822 9.157 1.00 0.00 C ATOM 1264 OG SER A 80 1.153 -7.909 9.385 1.00 0.00 O ATOM 0 H SER A 80 -0.032 -7.814 6.823 1.00 0.00 H new ATOM 0 HA SER A 80 1.162 -10.225 7.977 1.00 0.00 H new ATOM 0 HB2 SER A 80 -0.862 -8.282 9.122 1.00 0.00 H new ATOM 0 HB3 SER A 80 0.018 -9.527 9.986 1.00 0.00 H new ATOM 0 HG SER A 80 0.953 -7.056 8.946 1.00 0.00 H new ATOM 1270 N GLN A 81 -1.567 -10.165 6.354 1.00 0.00 N ATOM 1271 CA GLN A 81 -2.758 -10.884 6.034 1.00 0.00 C ATOM 1272 C GLN A 81 -2.348 -12.127 5.355 1.00 0.00 C ATOM 1273 O GLN A 81 -2.686 -13.234 5.798 1.00 0.00 O ATOM 1274 CB GLN A 81 -3.702 -10.049 5.158 1.00 0.00 C ATOM 1275 CG GLN A 81 -5.066 -10.674 4.928 1.00 0.00 C ATOM 1276 CD GLN A 81 -5.860 -10.887 6.210 1.00 0.00 C ATOM 1277 OE1 GLN A 81 -6.664 -11.820 6.301 1.00 0.00 O ATOM 1278 NE2 GLN A 81 -5.669 -10.033 7.186 1.00 0.00 N ATOM 0 H GLN A 81 -1.259 -9.490 5.654 1.00 0.00 H new ATOM 0 HA GLN A 81 -3.317 -11.114 6.941 1.00 0.00 H new ATOM 0 HB2 GLN A 81 -3.838 -9.072 5.621 1.00 0.00 H new ATOM 0 HB3 GLN A 81 -3.226 -9.880 4.192 1.00 0.00 H new ATOM 0 HG2 GLN A 81 -5.640 -10.037 4.256 1.00 0.00 H new ATOM 0 HG3 GLN A 81 -4.938 -11.633 4.426 1.00 0.00 H new ATOM 0 HE21 GLN A 81 -4.996 -9.274 7.075 1.00 0.00 H new ATOM 0 HE22 GLN A 81 -6.193 -10.127 8.056 1.00 0.00 H new ATOM 1287 N ASP A 82 -1.576 -11.979 4.307 1.00 0.00 N ATOM 1288 CA ASP A 82 -1.069 -13.175 3.663 1.00 0.00 C ATOM 1289 C ASP A 82 0.407 -13.126 3.235 1.00 0.00 C ATOM 1290 O ASP A 82 1.268 -13.405 4.073 1.00 0.00 O ATOM 1291 CB ASP A 82 -2.062 -13.872 2.686 1.00 0.00 C ATOM 1292 CG ASP A 82 -1.501 -15.147 2.101 1.00 0.00 C ATOM 1293 OD1 ASP A 82 -1.293 -16.114 2.864 1.00 0.00 O ATOM 1294 OD2 ASP A 82 -1.309 -15.228 0.889 1.00 0.00 O ATOM 0 H ASP A 82 -1.293 -11.091 3.894 1.00 0.00 H new ATOM 0 HA ASP A 82 -1.021 -13.898 4.478 1.00 0.00 H new ATOM 0 HB2 ASP A 82 -2.989 -14.096 3.214 1.00 0.00 H new ATOM 0 HB3 ASP A 82 -2.313 -13.185 1.878 1.00 0.00 H new ATOM 1299 N ARG A 83 0.753 -12.742 2.003 1.00 0.00 N ATOM 1300 CA ARG A 83 2.140 -12.751 1.628 1.00 0.00 C ATOM 1301 C ARG A 83 2.733 -11.373 1.728 1.00 0.00 C ATOM 1302 O ARG A 83 2.024 -10.374 1.603 1.00 0.00 O ATOM 1303 CB ARG A 83 2.329 -13.344 0.250 1.00 0.00 C ATOM 1304 CG ARG A 83 1.833 -14.762 0.141 1.00 0.00 C ATOM 1305 CD ARG A 83 2.450 -15.630 1.215 1.00 0.00 C ATOM 1306 NE ARG A 83 2.148 -17.043 1.035 1.00 0.00 N ATOM 1307 CZ ARG A 83 2.938 -18.019 1.452 1.00 0.00 C ATOM 1308 NH1 ARG A 83 3.897 -17.754 2.332 1.00 0.00 N ATOM 1309 NH2 ARG A 83 2.716 -19.261 1.071 1.00 0.00 N ATOM 0 H ARG A 83 0.104 -12.433 1.280 1.00 0.00 H new ATOM 0 HA ARG A 83 2.676 -13.389 2.330 1.00 0.00 H new ATOM 0 HB2 ARG A 83 1.806 -12.726 -0.479 1.00 0.00 H new ATOM 0 HB3 ARG A 83 3.387 -13.315 -0.009 1.00 0.00 H new ATOM 0 HG2 ARG A 83 0.747 -14.780 0.232 1.00 0.00 H new ATOM 0 HG3 ARG A 83 2.078 -15.163 -0.842 1.00 0.00 H new ATOM 0 HD2 ARG A 83 3.531 -15.490 1.213 1.00 0.00 H new ATOM 0 HD3 ARG A 83 2.088 -15.306 2.191 1.00 0.00 H new ATOM 0 HE ARG A 83 1.280 -17.294 0.562 1.00 0.00 H new ATOM 0 HH11 ARG A 83 4.020 -16.804 2.681 1.00 0.00 H new ATOM 0 HH12 ARG A 83 4.510 -18.501 2.658 1.00 0.00 H new ATOM 0 HH21 ARG A 83 1.933 -19.472 0.453 1.00 0.00 H new ATOM 0 HH22 ARG A 83 3.327 -20.011 1.395 1.00 0.00 H new ATOM 1323 N CYS A 84 4.020 -11.319 1.948 1.00 0.00 N ATOM 1324 CA CYS A 84 4.691 -10.078 2.204 1.00 0.00 C ATOM 1325 C CYS A 84 6.161 -10.162 1.747 1.00 0.00 C ATOM 1326 O CYS A 84 6.700 -11.272 1.663 1.00 0.00 O ATOM 1327 CB CYS A 84 4.594 -9.861 3.715 1.00 0.00 C ATOM 1328 SG CYS A 84 5.286 -11.207 4.712 1.00 0.00 S ATOM 0 H CYS A 84 4.630 -12.136 1.954 1.00 0.00 H new ATOM 0 HA CYS A 84 4.241 -9.249 1.658 1.00 0.00 H new ATOM 0 HB2 CYS A 84 5.109 -8.935 3.970 1.00 0.00 H new ATOM 0 HB3 CYS A 84 3.546 -9.728 3.984 1.00 0.00 H new ATOM 0 HG CYS A 84 5.155 -10.924 5.974 1.00 0.00 H new ATOM 1334 N ALA A 85 6.791 -9.006 1.425 1.00 0.00 N ATOM 1335 CA ALA A 85 8.207 -8.935 1.054 1.00 0.00 C ATOM 1336 C ALA A 85 8.747 -7.505 1.010 1.00 0.00 C ATOM 1337 O ALA A 85 9.773 -7.220 1.644 1.00 0.00 O ATOM 1338 CB ALA A 85 8.537 -9.685 -0.237 1.00 0.00 C ATOM 0 H ALA A 85 6.322 -8.100 1.418 1.00 0.00 H new ATOM 0 HA ALA A 85 8.725 -9.451 1.862 1.00 0.00 H new ATOM 0 HB1 ALA A 85 9.602 -9.590 -0.451 1.00 0.00 H new ATOM 0 HB2 ALA A 85 8.283 -10.739 -0.121 1.00 0.00 H new ATOM 0 HB3 ALA A 85 7.962 -9.262 -1.061 1.00 0.00 H new ATOM 1344 N GLU A 86 8.079 -6.588 0.305 1.00 0.00 N ATOM 1345 CA GLU A 86 8.640 -5.265 0.128 1.00 0.00 C ATOM 1346 C GLU A 86 7.548 -4.246 -0.101 1.00 0.00 C ATOM 1347 O GLU A 86 6.841 -4.311 -1.079 1.00 0.00 O ATOM 1348 CB GLU A 86 9.622 -5.274 -1.047 1.00 0.00 C ATOM 1349 CG GLU A 86 10.238 -3.930 -1.362 1.00 0.00 C ATOM 1350 CD GLU A 86 11.226 -4.016 -2.491 1.00 0.00 C ATOM 1351 OE1 GLU A 86 12.410 -4.336 -2.240 1.00 0.00 O ATOM 1352 OE2 GLU A 86 10.848 -3.775 -3.645 1.00 0.00 O ATOM 0 H GLU A 86 7.173 -6.740 -0.139 1.00 0.00 H new ATOM 0 HA GLU A 86 9.174 -4.985 1.036 1.00 0.00 H new ATOM 0 HB2 GLU A 86 10.421 -5.983 -0.831 1.00 0.00 H new ATOM 0 HB3 GLU A 86 9.104 -5.638 -1.934 1.00 0.00 H new ATOM 0 HG2 GLU A 86 9.451 -3.222 -1.622 1.00 0.00 H new ATOM 0 HG3 GLU A 86 10.735 -3.542 -0.473 1.00 0.00 H new ATOM 1359 N VAL A 87 7.425 -3.318 0.783 1.00 0.00 N ATOM 1360 CA VAL A 87 6.416 -2.300 0.657 1.00 0.00 C ATOM 1361 C VAL A 87 7.089 -0.976 0.291 1.00 0.00 C ATOM 1362 O VAL A 87 7.694 -0.335 1.143 1.00 0.00 O ATOM 1363 CB VAL A 87 5.630 -2.128 1.987 1.00 0.00 C ATOM 1364 CG1 VAL A 87 4.500 -1.152 1.821 1.00 0.00 C ATOM 1365 CG2 VAL A 87 5.102 -3.460 2.501 1.00 0.00 C ATOM 0 H VAL A 87 8.012 -3.235 1.613 1.00 0.00 H new ATOM 0 HA VAL A 87 5.713 -2.597 -0.121 1.00 0.00 H new ATOM 0 HB VAL A 87 6.327 -1.733 2.726 1.00 0.00 H new ATOM 0 HG11 VAL A 87 3.966 -1.050 2.766 1.00 0.00 H new ATOM 0 HG12 VAL A 87 4.898 -0.182 1.522 1.00 0.00 H new ATOM 0 HG13 VAL A 87 3.815 -1.515 1.055 1.00 0.00 H new ATOM 0 HG21 VAL A 87 4.558 -3.301 3.432 1.00 0.00 H new ATOM 0 HG22 VAL A 87 4.433 -3.897 1.760 1.00 0.00 H new ATOM 0 HG23 VAL A 87 5.937 -4.138 2.680 1.00 0.00 H new ATOM 1375 N THR A 88 7.040 -0.579 -0.968 1.00 0.00 N ATOM 1376 CA THR A 88 7.676 0.658 -1.334 1.00 0.00 C ATOM 1377 C THR A 88 6.733 1.800 -1.585 1.00 0.00 C ATOM 1378 O THR A 88 5.855 1.777 -2.473 1.00 0.00 O ATOM 1379 CB THR A 88 8.736 0.549 -2.440 1.00 0.00 C ATOM 1380 OG1 THR A 88 8.232 -0.183 -3.577 1.00 0.00 O ATOM 1381 CG2 THR A 88 9.968 -0.124 -1.901 1.00 0.00 C ATOM 0 H THR A 88 6.580 -1.081 -1.727 1.00 0.00 H new ATOM 0 HA THR A 88 8.222 0.904 -0.423 1.00 0.00 H new ATOM 0 HB THR A 88 8.987 1.557 -2.771 1.00 0.00 H new ATOM 0 HG1 THR A 88 7.286 -0.396 -3.436 1.00 0.00 H new ATOM 0 HG21 THR A 88 10.716 -0.199 -2.690 1.00 0.00 H new ATOM 0 HG22 THR A 88 10.370 0.461 -1.074 1.00 0.00 H new ATOM 0 HG23 THR A 88 9.712 -1.123 -1.548 1.00 0.00 H new ATOM 1389 N LEU A 89 6.955 2.791 -0.803 1.00 0.00 N ATOM 1390 CA LEU A 89 6.272 4.031 -0.825 1.00 0.00 C ATOM 1391 C LEU A 89 6.810 4.805 -2.039 1.00 0.00 C ATOM 1392 O LEU A 89 7.834 4.425 -2.601 1.00 0.00 O ATOM 1393 CB LEU A 89 6.535 4.834 0.503 1.00 0.00 C ATOM 1394 CG LEU A 89 6.182 4.174 1.888 1.00 0.00 C ATOM 1395 CD1 LEU A 89 6.922 2.870 2.153 1.00 0.00 C ATOM 1396 CD2 LEU A 89 6.500 5.133 3.006 1.00 0.00 C ATOM 0 H LEU A 89 7.671 2.754 -0.078 1.00 0.00 H new ATOM 0 HA LEU A 89 5.195 3.882 -0.900 1.00 0.00 H new ATOM 0 HB2 LEU A 89 7.594 5.093 0.524 1.00 0.00 H new ATOM 0 HB3 LEU A 89 5.979 5.769 0.435 1.00 0.00 H new ATOM 0 HG LEU A 89 5.117 3.944 1.846 1.00 0.00 H new ATOM 0 HD11 LEU A 89 6.627 2.475 3.125 1.00 0.00 H new ATOM 0 HD12 LEU A 89 6.673 2.146 1.377 1.00 0.00 H new ATOM 0 HD13 LEU A 89 7.996 3.054 2.147 1.00 0.00 H new ATOM 0 HD21 LEU A 89 6.254 4.671 3.962 1.00 0.00 H new ATOM 0 HD22 LEU A 89 7.562 5.378 2.984 1.00 0.00 H new ATOM 0 HD23 LEU A 89 5.915 6.044 2.881 1.00 0.00 H new