USER MOD reduce.3.24.130724 H: found=0, std=0, add=636, rem=0, adj=25 USER MOD reduce.3.24.130724 removed 638 hydrogens (0 hets) USER MOD ----------------------------------------------------------------- USER MOD scores for adjustable sidechains, with "set" totals for H,N and Q USER MOD "o" means original, "f" means flipped, "180deg" is methyl default USER MOD "!" flags a clash with an overlap of 0.40A or greater USER MOD flip categories: "K"=keep, "C"=clashes, "X"=uncertain, "F"=flip USER MOD Set 1.1: A 33 GLN : amide:sc= -2.16! C(o=-3.8!,f=-6.4!) USER MOD Set 1.2: A 39 THR OG1 : rot -160:sc= -1.63 USER MOD Single : A 3 TYR OH : rot 180:sc= 0 USER MOD Single : A 7 ASN : amide:sc= -2.34! C(o=-2.3!,f=-3.7!) USER MOD Single : A 19 MET CE :methyl -172:sc=-0.00838 (180deg=-0.185) USER MOD Single : A 22 LYS NZ :NH3+ 159:sc= -0.0199 (180deg=-0.247) USER MOD Single : A 24 ASN : amide:sc= -1.22! K(o=-1.2!,f=-0.0091) USER MOD Single : A 25 LYS NZ :NH3+ -167:sc=-0.00869 (180deg=-0.193) USER MOD Single : A 26 HIS : no HE2:sc= -17.9! C(o=-18!,f=-17!) USER MOD Single : A 29 ASN : amide:sc= -1.72! C(o=-1.7!,f=-2.2!) USER MOD Single : A 30 SER OG : rot 180:sc= 0 USER MOD Single : A 34 THR OG1 : rot -53:sc= 1.06 USER MOD Single : A 36 ASN : amide:sc= -0.0632 K(o=-0.063,f=-2!) USER MOD Single : A 41 THR OG1 : rot 180:sc= -0.539 USER MOD Single : A 43 TYR OH : rot 180:sc= 0 USER MOD Single : A 45 THR OG1 : rot 180:sc= 0 USER MOD Single : A 48 SER OG : rot -101:sc= 0.962 USER MOD Single : A 51 THR OG1 : rot -109:sc= -1.49 USER MOD Single : A 54 SER OG : rot 180:sc= 0 USER MOD Single : A 55 THR OG1 : rot 180:sc= 0 USER MOD Single : A 59 TYR OH : rot 180:sc= 0 USER MOD Single : A 61 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 63 ASN : amide:sc= -0.0146 K(o=-0.015,f=-1.7!) USER MOD Single : A 65 GLN : amide:sc= -0.664 K(o=-0.66,f=0) USER MOD Single : A 69 LYS NZ :NH3+ 171:sc= -4.44! (180deg=-4.66!) USER MOD Single : A 70 LYS NZ :NH3+ 175:sc= -0.024 (180deg=-0.232) USER MOD Single : A 74 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 75 TYR OH : rot 180:sc= 0 USER MOD Single : A 80 LYS NZ :NH3+ -178:sc= 0.243 (180deg=0.242) USER MOD Single : A 81 LYS NZ :NH3+ 134:sc= -0.0193 (180deg=-0.453) USER MOD Single : A 84 LYS NZ :NH3+ 162:sc= -0.0542 (180deg=-0.508) USER MOD Single : A 85 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 86 THR OG1 : rot 180:sc= 0.0283 USER MOD Single : A 88 SER OG : rot 180:sc= 0 USER MOD Single : A 90 SER OG : rot 73:sc= 0.285 USER MOD ----------------------------------------------------------------- ATOM 12 N CYS A 2 6.249 -2.832 3.527 1.00 0.00 N ATOM 13 CA CYS A 2 6.804 -4.119 3.115 1.00 0.00 C ATOM 14 C CYS A 2 7.062 -5.035 4.310 1.00 0.00 C ATOM 15 O CYS A 2 8.100 -4.944 4.969 1.00 0.00 O ATOM 16 CB CYS A 2 8.103 -3.909 2.330 1.00 0.00 C ATOM 17 SG CYS A 2 7.716 -3.234 0.690 1.00 0.00 S ATOM 0 HA CYS A 2 6.066 -4.604 2.476 1.00 0.00 H new ATOM 0 HB2 CYS A 2 8.761 -3.227 2.870 1.00 0.00 H new ATOM 0 HB3 CYS A 2 8.637 -4.854 2.229 1.00 0.00 H new ATOM 22 N TYR A 3 6.108 -5.931 4.580 1.00 0.00 N ATOM 23 CA TYR A 3 6.235 -6.876 5.690 1.00 0.00 C ATOM 24 C TYR A 3 5.703 -8.252 5.286 1.00 0.00 C ATOM 25 O TYR A 3 4.714 -8.362 4.560 1.00 0.00 O ATOM 26 CB TYR A 3 5.470 -6.348 6.906 1.00 0.00 C ATOM 27 CG TYR A 3 4.006 -6.223 6.569 1.00 0.00 C ATOM 28 CD1 TYR A 3 3.150 -7.307 6.775 1.00 0.00 C ATOM 29 CD2 TYR A 3 3.503 -5.021 6.053 1.00 0.00 C ATOM 30 CE1 TYR A 3 1.790 -7.197 6.466 1.00 0.00 C ATOM 31 CE2 TYR A 3 2.141 -4.908 5.744 1.00 0.00 C ATOM 32 CZ TYR A 3 1.286 -5.996 5.950 1.00 0.00 C ATOM 33 OH TYR A 3 -0.056 -5.888 5.645 1.00 0.00 O ATOM 0 H TYR A 3 5.243 -6.021 4.047 1.00 0.00 H new ATOM 0 HA TYR A 3 7.289 -6.979 5.947 1.00 0.00 H new ATOM 0 HB2 TYR A 3 5.602 -7.022 7.752 1.00 0.00 H new ATOM 0 HB3 TYR A 3 5.868 -5.379 7.206 1.00 0.00 H new ATOM 0 HD1 TYR A 3 3.539 -8.232 7.174 1.00 0.00 H new ATOM 0 HD2 TYR A 3 4.165 -4.182 5.894 1.00 0.00 H new ATOM 0 HE1 TYR A 3 1.130 -8.037 6.625 1.00 0.00 H new ATOM 0 HE2 TYR A 3 1.752 -3.982 5.347 1.00 0.00 H new ATOM 0 HH TYR A 3 -0.241 -4.990 5.298 1.00 0.00 H new ATOM 43 N PHE A 4 6.385 -9.299 5.748 1.00 0.00 N ATOM 44 CA PHE A 4 6.006 -10.673 5.418 1.00 0.00 C ATOM 45 C PHE A 4 4.861 -11.189 6.281 1.00 0.00 C ATOM 46 O PHE A 4 4.810 -10.949 7.489 1.00 0.00 O ATOM 47 CB PHE A 4 7.209 -11.593 5.621 1.00 0.00 C ATOM 48 CG PHE A 4 8.370 -11.105 4.795 1.00 0.00 C ATOM 49 CD1 PHE A 4 8.447 -11.432 3.438 1.00 0.00 C ATOM 50 CD2 PHE A 4 9.376 -10.332 5.389 1.00 0.00 C ATOM 51 CE1 PHE A 4 9.528 -10.983 2.670 1.00 0.00 C ATOM 52 CE2 PHE A 4 10.456 -9.883 4.621 1.00 0.00 C ATOM 53 CZ PHE A 4 10.533 -10.209 3.263 1.00 0.00 C ATOM 0 H PHE A 4 7.203 -9.222 6.352 1.00 0.00 H new ATOM 0 HA PHE A 4 5.675 -10.671 4.380 1.00 0.00 H new ATOM 0 HB2 PHE A 4 7.486 -11.618 6.675 1.00 0.00 H new ATOM 0 HB3 PHE A 4 6.951 -12.613 5.335 1.00 0.00 H new ATOM 0 HD1 PHE A 4 7.673 -12.031 2.982 1.00 0.00 H new ATOM 0 HD2 PHE A 4 9.318 -10.083 6.438 1.00 0.00 H new ATOM 0 HE1 PHE A 4 9.587 -11.233 1.621 1.00 0.00 H new ATOM 0 HE2 PHE A 4 11.231 -9.284 5.077 1.00 0.00 H new ATOM 0 HZ PHE A 4 11.368 -9.864 2.672 1.00 0.00 H new ATOM 63 N ILE A 5 3.958 -11.929 5.638 1.00 0.00 N ATOM 64 CA ILE A 5 2.810 -12.529 6.316 1.00 0.00 C ATOM 65 C ILE A 5 2.928 -14.059 6.242 1.00 0.00 C ATOM 66 O ILE A 5 2.835 -14.623 5.153 1.00 0.00 O ATOM 67 CB ILE A 5 1.520 -12.104 5.613 1.00 0.00 C ATOM 68 CG1 ILE A 5 1.327 -10.591 5.759 1.00 0.00 C ATOM 69 CG2 ILE A 5 0.331 -12.832 6.243 1.00 0.00 C ATOM 70 CD1 ILE A 5 0.182 -10.124 4.850 1.00 0.00 C ATOM 0 H ILE A 5 4.001 -12.128 4.639 1.00 0.00 H new ATOM 0 HA ILE A 5 2.790 -12.200 7.355 1.00 0.00 H new ATOM 0 HB ILE A 5 1.585 -12.360 4.555 1.00 0.00 H new ATOM 0 HG12 ILE A 5 1.105 -10.342 6.797 1.00 0.00 H new ATOM 0 HG13 ILE A 5 2.248 -10.070 5.496 1.00 0.00 H new ATOM 0 HG21 ILE A 5 -0.588 -12.529 5.742 1.00 0.00 H new ATOM 0 HG22 ILE A 5 0.465 -13.908 6.136 1.00 0.00 H new ATOM 0 HG23 ILE A 5 0.268 -12.578 7.301 1.00 0.00 H new ATOM 0 HD11 ILE A 5 0.048 -9.048 4.957 1.00 0.00 H new ATOM 0 HD12 ILE A 5 0.422 -10.358 3.813 1.00 0.00 H new ATOM 0 HD13 ILE A 5 -0.739 -10.634 5.133 1.00 0.00 H new ATOM 82 N PRO A 6 3.148 -14.752 7.341 1.00 0.00 N ATOM 83 CA PRO A 6 3.288 -16.231 7.298 1.00 0.00 C ATOM 84 C PRO A 6 1.951 -16.938 7.134 1.00 0.00 C ATOM 85 O PRO A 6 1.035 -16.739 7.928 1.00 0.00 O ATOM 86 CB PRO A 6 3.929 -16.584 8.648 1.00 0.00 C ATOM 87 CG PRO A 6 3.522 -15.483 9.581 1.00 0.00 C ATOM 88 CD PRO A 6 3.281 -14.231 8.717 1.00 0.00 C ATOM 0 HA PRO A 6 3.882 -16.552 6.442 1.00 0.00 H new ATOM 0 HB2 PRO A 6 3.581 -17.552 9.007 1.00 0.00 H new ATOM 0 HB3 PRO A 6 5.014 -16.647 8.564 1.00 0.00 H new ATOM 0 HG2 PRO A 6 2.619 -15.754 10.128 1.00 0.00 H new ATOM 0 HG3 PRO A 6 4.300 -15.297 10.322 1.00 0.00 H new ATOM 0 HD2 PRO A 6 2.382 -13.700 9.029 1.00 0.00 H new ATOM 0 HD3 PRO A 6 4.110 -13.528 8.797 1.00 0.00 H new ATOM 96 N ASN A 7 1.853 -17.765 6.094 1.00 0.00 N ATOM 97 CA ASN A 7 0.625 -18.513 5.824 1.00 0.00 C ATOM 98 C ASN A 7 0.004 -18.979 7.137 1.00 0.00 C ATOM 99 O ASN A 7 -1.207 -19.160 7.242 1.00 0.00 O ATOM 100 CB ASN A 7 0.941 -19.729 4.947 1.00 0.00 C ATOM 101 CG ASN A 7 -0.344 -20.453 4.558 1.00 0.00 C ATOM 102 OD1 ASN A 7 -1.372 -20.298 5.213 1.00 0.00 O ATOM 103 ND2 ASN A 7 -0.347 -21.238 3.515 1.00 0.00 N ATOM 0 H ASN A 7 2.606 -17.934 5.427 1.00 0.00 H new ATOM 0 HA ASN A 7 -0.079 -17.865 5.302 1.00 0.00 H new ATOM 0 HB2 ASN A 7 1.472 -19.410 4.050 1.00 0.00 H new ATOM 0 HB3 ASN A 7 1.602 -20.410 5.483 1.00 0.00 H new ATOM 0 HD21 ASN A 7 -1.203 -21.723 3.244 1.00 0.00 H new ATOM 0 HD22 ASN A 7 0.506 -21.367 2.971 1.00 0.00 H new ATOM 252 N CYS A 18 -3.763 -18.660 1.003 1.00 0.00 N ATOM 253 CA CYS A 18 -3.183 -17.744 0.016 1.00 0.00 C ATOM 254 C CYS A 18 -4.220 -17.359 -1.040 1.00 0.00 C ATOM 255 O CYS A 18 -3.929 -17.326 -2.236 1.00 0.00 O ATOM 256 CB CYS A 18 -1.975 -18.397 -0.655 1.00 0.00 C ATOM 257 SG CYS A 18 -0.971 -17.148 -1.481 1.00 0.00 S ATOM 0 HA CYS A 18 -2.863 -16.839 0.532 1.00 0.00 H new ATOM 0 HB2 CYS A 18 -1.376 -18.922 0.089 1.00 0.00 H new ATOM 0 HB3 CYS A 18 -2.309 -19.141 -1.378 1.00 0.00 H new ATOM 262 N MET A 19 -5.436 -17.063 -0.582 1.00 0.00 N ATOM 263 CA MET A 19 -6.526 -16.660 -1.478 1.00 0.00 C ATOM 264 C MET A 19 -6.851 -15.190 -1.253 1.00 0.00 C ATOM 265 O MET A 19 -6.930 -14.730 -0.113 1.00 0.00 O ATOM 266 CB MET A 19 -7.772 -17.516 -1.224 1.00 0.00 C ATOM 267 CG MET A 19 -8.912 -17.037 -2.128 1.00 0.00 C ATOM 268 SD MET A 19 -10.302 -18.195 -2.019 1.00 0.00 S ATOM 269 CE MET A 19 -9.883 -19.211 -3.459 1.00 0.00 C ATOM 0 H MET A 19 -5.694 -17.094 0.404 1.00 0.00 H new ATOM 0 HA MET A 19 -6.209 -16.808 -2.510 1.00 0.00 H new ATOM 0 HB2 MET A 19 -7.552 -18.565 -1.422 1.00 0.00 H new ATOM 0 HB3 MET A 19 -8.069 -17.445 -0.178 1.00 0.00 H new ATOM 0 HG2 MET A 19 -9.232 -16.039 -1.828 1.00 0.00 H new ATOM 0 HG3 MET A 19 -8.566 -16.964 -3.159 1.00 0.00 H new ATOM 0 HE1 MET A 19 -10.696 -19.908 -3.661 1.00 0.00 H new ATOM 0 HE2 MET A 19 -9.732 -18.568 -4.326 1.00 0.00 H new ATOM 0 HE3 MET A 19 -8.968 -19.769 -3.257 1.00 0.00 H new ATOM 279 N ASP A 20 -7.029 -14.451 -2.341 1.00 0.00 N ATOM 280 CA ASP A 20 -7.329 -13.028 -2.245 1.00 0.00 C ATOM 281 C ASP A 20 -8.800 -12.800 -1.907 1.00 0.00 C ATOM 282 O ASP A 20 -9.595 -13.738 -1.865 1.00 0.00 O ATOM 283 CB ASP A 20 -6.986 -12.330 -3.561 1.00 0.00 C ATOM 284 CG ASP A 20 -7.780 -12.950 -4.704 1.00 0.00 C ATOM 285 OD1 ASP A 20 -8.684 -13.720 -4.422 1.00 0.00 O ATOM 286 OD2 ASP A 20 -7.472 -12.649 -5.845 1.00 0.00 O ATOM 0 H ASP A 20 -6.971 -14.810 -3.294 1.00 0.00 H new ATOM 0 HA ASP A 20 -6.723 -12.607 -1.443 1.00 0.00 H new ATOM 0 HB2 ASP A 20 -7.211 -11.266 -3.487 1.00 0.00 H new ATOM 0 HB3 ASP A 20 -5.918 -12.417 -3.760 1.00 0.00 H new ATOM 291 N LEU A 21 -9.143 -11.544 -1.650 1.00 0.00 N ATOM 292 CA LEU A 21 -10.511 -11.180 -1.297 1.00 0.00 C ATOM 293 C LEU A 21 -11.470 -11.420 -2.462 1.00 0.00 C ATOM 294 O LEU A 21 -12.663 -11.647 -2.253 1.00 0.00 O ATOM 295 CB LEU A 21 -10.562 -9.708 -0.876 1.00 0.00 C ATOM 296 CG LEU A 21 -9.518 -9.444 0.218 1.00 0.00 C ATOM 297 CD1 LEU A 21 -9.554 -7.965 0.606 1.00 0.00 C ATOM 298 CD2 LEU A 21 -9.818 -10.308 1.454 1.00 0.00 C ATOM 0 H LEU A 21 -8.492 -10.759 -1.679 1.00 0.00 H new ATOM 0 HA LEU A 21 -10.826 -11.811 -0.466 1.00 0.00 H new ATOM 0 HB2 LEU A 21 -10.370 -9.067 -1.737 1.00 0.00 H new ATOM 0 HB3 LEU A 21 -11.558 -9.459 -0.509 1.00 0.00 H new ATOM 0 HG LEU A 21 -8.529 -9.701 -0.162 1.00 0.00 H new ATOM 0 HD11 LEU A 21 -8.814 -7.775 1.383 1.00 0.00 H new ATOM 0 HD12 LEU A 21 -9.328 -7.354 -0.268 1.00 0.00 H new ATOM 0 HD13 LEU A 21 -10.546 -7.711 0.980 1.00 0.00 H new ATOM 0 HD21 LEU A 21 -9.072 -10.113 2.224 1.00 0.00 H new ATOM 0 HD22 LEU A 21 -10.808 -10.062 1.838 1.00 0.00 H new ATOM 0 HD23 LEU A 21 -9.787 -11.362 1.177 1.00 0.00 H new ATOM 310 N LYS A 22 -10.952 -11.374 -3.686 1.00 0.00 N ATOM 311 CA LYS A 22 -11.784 -11.595 -4.865 1.00 0.00 C ATOM 312 C LYS A 22 -12.332 -13.020 -4.878 1.00 0.00 C ATOM 313 O LYS A 22 -13.482 -13.250 -5.251 1.00 0.00 O ATOM 314 CB LYS A 22 -10.966 -11.360 -6.139 1.00 0.00 C ATOM 315 CG LYS A 22 -10.440 -9.917 -6.184 1.00 0.00 C ATOM 316 CD LYS A 22 -11.598 -8.925 -6.362 1.00 0.00 C ATOM 317 CE LYS A 22 -11.052 -7.585 -6.864 1.00 0.00 C ATOM 318 NZ LYS A 22 -10.700 -7.701 -8.308 1.00 0.00 N ATOM 0 H LYS A 22 -9.970 -11.188 -3.887 1.00 0.00 H new ATOM 0 HA LYS A 22 -12.617 -10.892 -4.829 1.00 0.00 H new ATOM 0 HB2 LYS A 22 -10.130 -12.059 -6.175 1.00 0.00 H new ATOM 0 HB3 LYS A 22 -11.584 -11.555 -7.016 1.00 0.00 H new ATOM 0 HG2 LYS A 22 -9.900 -9.692 -5.264 1.00 0.00 H new ATOM 0 HG3 LYS A 22 -9.731 -9.808 -7.005 1.00 0.00 H new ATOM 0 HD2 LYS A 22 -12.325 -9.322 -7.071 1.00 0.00 H new ATOM 0 HD3 LYS A 22 -12.120 -8.785 -5.415 1.00 0.00 H new ATOM 0 HE2 LYS A 22 -11.796 -6.801 -6.722 1.00 0.00 H new ATOM 0 HE3 LYS A 22 -10.173 -7.299 -6.286 1.00 0.00 H new ATOM 0 HZ1 LYS A 22 -10.674 -6.754 -8.736 1.00 0.00 H new ATOM 0 HZ2 LYS A 22 -9.767 -8.150 -8.403 1.00 0.00 H new ATOM 0 HZ3 LYS A 22 -11.414 -8.281 -8.794 1.00 0.00 H new ATOM 332 N GLY A 23 -11.489 -13.978 -4.488 1.00 0.00 N ATOM 333 CA GLY A 23 -11.875 -15.392 -4.471 1.00 0.00 C ATOM 334 C GLY A 23 -11.061 -16.160 -5.507 1.00 0.00 C ATOM 335 O GLY A 23 -11.353 -17.313 -5.825 1.00 0.00 O ATOM 0 H GLY A 23 -10.533 -13.801 -4.179 1.00 0.00 H new ATOM 0 HA2 GLY A 23 -11.708 -15.812 -3.479 1.00 0.00 H new ATOM 0 HA3 GLY A 23 -12.939 -15.491 -4.685 1.00 0.00 H new ATOM 339 N ASN A 24 -10.041 -15.488 -6.034 1.00 0.00 N ATOM 340 CA ASN A 24 -9.166 -16.070 -7.052 1.00 0.00 C ATOM 341 C ASN A 24 -7.823 -16.472 -6.448 1.00 0.00 C ATOM 342 O ASN A 24 -7.034 -15.622 -6.033 1.00 0.00 O ATOM 343 CB ASN A 24 -8.943 -15.055 -8.176 1.00 0.00 C ATOM 344 CG ASN A 24 -10.271 -14.748 -8.867 1.00 0.00 C ATOM 345 OD1 ASN A 24 -10.435 -13.672 -9.445 1.00 0.00 O ATOM 346 ND2 ASN A 24 -11.232 -15.630 -8.839 1.00 0.00 N ATOM 0 H ASN A 24 -9.798 -14.533 -5.772 1.00 0.00 H new ATOM 0 HA ASN A 24 -9.645 -16.964 -7.452 1.00 0.00 H new ATOM 0 HB2 ASN A 24 -8.513 -14.139 -7.771 1.00 0.00 H new ATOM 0 HB3 ASN A 24 -8.229 -15.450 -8.899 1.00 0.00 H new ATOM 0 HD21 ASN A 24 -12.122 -15.430 -9.296 1.00 0.00 H new ATOM 0 HD22 ASN A 24 -11.094 -16.520 -8.360 1.00 0.00 H new ATOM 353 N LYS A 25 -7.571 -17.778 -6.408 1.00 0.00 N ATOM 354 CA LYS A 25 -6.322 -18.294 -5.860 1.00 0.00 C ATOM 355 C LYS A 25 -5.197 -18.112 -6.870 1.00 0.00 C ATOM 356 O LYS A 25 -5.367 -18.390 -8.058 1.00 0.00 O ATOM 357 CB LYS A 25 -6.475 -19.779 -5.522 1.00 0.00 C ATOM 358 CG LYS A 25 -5.307 -20.235 -4.647 1.00 0.00 C ATOM 359 CD LYS A 25 -5.543 -21.678 -4.193 1.00 0.00 C ATOM 360 CE LYS A 25 -4.441 -22.092 -3.217 1.00 0.00 C ATOM 361 NZ LYS A 25 -3.136 -22.164 -3.932 1.00 0.00 N ATOM 0 H LYS A 25 -8.213 -18.495 -6.747 1.00 0.00 H new ATOM 0 HA LYS A 25 -6.080 -17.742 -4.951 1.00 0.00 H new ATOM 0 HB2 LYS A 25 -7.418 -19.948 -5.002 1.00 0.00 H new ATOM 0 HB3 LYS A 25 -6.506 -20.368 -6.438 1.00 0.00 H new ATOM 0 HG2 LYS A 25 -4.373 -20.166 -5.204 1.00 0.00 H new ATOM 0 HG3 LYS A 25 -5.211 -19.581 -3.780 1.00 0.00 H new ATOM 0 HD2 LYS A 25 -6.519 -21.765 -3.715 1.00 0.00 H new ATOM 0 HD3 LYS A 25 -5.550 -22.345 -5.055 1.00 0.00 H new ATOM 0 HE2 LYS A 25 -4.379 -21.375 -2.399 1.00 0.00 H new ATOM 0 HE3 LYS A 25 -4.678 -23.060 -2.775 1.00 0.00 H new ATOM 0 HZ1 LYS A 25 -2.439 -22.651 -3.334 1.00 0.00 H new ATOM 0 HZ2 LYS A 25 -3.256 -22.689 -4.822 1.00 0.00 H new ATOM 0 HZ3 LYS A 25 -2.801 -21.202 -4.141 1.00 0.00 H new ATOM 375 N HIS A 26 -4.048 -17.635 -6.393 1.00 0.00 N ATOM 376 CA HIS A 26 -2.885 -17.403 -7.261 1.00 0.00 C ATOM 377 C HIS A 26 -1.789 -18.449 -6.971 1.00 0.00 C ATOM 378 O HIS A 26 -1.488 -18.718 -5.806 1.00 0.00 O ATOM 379 CB HIS A 26 -2.336 -15.971 -7.029 1.00 0.00 C ATOM 380 CG HIS A 26 -2.810 -15.457 -5.697 1.00 0.00 C ATOM 381 ND1 HIS A 26 -2.286 -15.904 -4.497 1.00 0.00 N ATOM 382 CD2 HIS A 26 -3.773 -14.540 -5.367 1.00 0.00 C ATOM 383 CE1 HIS A 26 -2.934 -15.259 -3.511 1.00 0.00 C ATOM 384 NE2 HIS A 26 -3.853 -14.420 -3.988 1.00 0.00 N ATOM 0 H HIS A 26 -3.894 -17.401 -5.412 1.00 0.00 H new ATOM 0 HA HIS A 26 -3.191 -17.501 -8.302 1.00 0.00 H new ATOM 0 HB2 HIS A 26 -1.246 -15.979 -7.060 1.00 0.00 H new ATOM 0 HB3 HIS A 26 -2.673 -15.308 -7.826 1.00 0.00 H new ATOM 0 HD1 HIS A 26 -1.545 -16.595 -4.382 1.00 0.00 H new ATOM 0 HD2 HIS A 26 -4.379 -13.993 -6.074 1.00 0.00 H new ATOM 0 HE1 HIS A 26 -2.734 -15.403 -2.460 1.00 0.00 H new ATOM 393 N PRO A 27 -1.181 -19.034 -7.983 1.00 0.00 N ATOM 394 CA PRO A 27 -0.099 -20.046 -7.785 1.00 0.00 C ATOM 395 C PRO A 27 1.217 -19.382 -7.371 1.00 0.00 C ATOM 396 O PRO A 27 1.282 -18.164 -7.219 1.00 0.00 O ATOM 397 CB PRO A 27 0.017 -20.713 -9.160 1.00 0.00 C ATOM 398 CG PRO A 27 -0.378 -19.648 -10.130 1.00 0.00 C ATOM 399 CD PRO A 27 -1.445 -18.810 -9.422 1.00 0.00 C ATOM 0 HA PRO A 27 -0.321 -20.755 -6.988 1.00 0.00 H new ATOM 0 HB2 PRO A 27 1.032 -21.062 -9.347 1.00 0.00 H new ATOM 0 HB3 PRO A 27 -0.638 -21.581 -9.236 1.00 0.00 H new ATOM 0 HG2 PRO A 27 0.479 -19.035 -10.407 1.00 0.00 H new ATOM 0 HG3 PRO A 27 -0.770 -20.083 -11.049 1.00 0.00 H new ATOM 0 HD2 PRO A 27 -1.362 -17.755 -9.683 1.00 0.00 H new ATOM 0 HD3 PRO A 27 -2.450 -19.129 -9.698 1.00 0.00 H new ATOM 407 N ILE A 28 2.262 -20.183 -7.199 1.00 0.00 N ATOM 408 CA ILE A 28 3.558 -19.636 -6.821 1.00 0.00 C ATOM 409 C ILE A 28 4.106 -18.778 -7.956 1.00 0.00 C ATOM 410 O ILE A 28 3.892 -19.082 -9.126 1.00 0.00 O ATOM 411 CB ILE A 28 4.551 -20.763 -6.519 1.00 0.00 C ATOM 412 CG1 ILE A 28 4.007 -21.669 -5.399 1.00 0.00 C ATOM 413 CG2 ILE A 28 5.896 -20.164 -6.099 1.00 0.00 C ATOM 414 CD1 ILE A 28 3.711 -20.860 -4.128 1.00 0.00 C ATOM 0 H ILE A 28 2.239 -21.196 -7.313 1.00 0.00 H new ATOM 0 HA ILE A 28 3.427 -19.028 -5.926 1.00 0.00 H new ATOM 0 HB ILE A 28 4.688 -21.364 -7.418 1.00 0.00 H new ATOM 0 HG12 ILE A 28 3.098 -22.165 -5.738 1.00 0.00 H new ATOM 0 HG13 ILE A 28 4.732 -22.451 -5.175 1.00 0.00 H new ATOM 0 HG21 ILE A 28 6.601 -20.967 -5.885 1.00 0.00 H new ATOM 0 HG22 ILE A 28 6.286 -19.544 -6.906 1.00 0.00 H new ATOM 0 HG23 ILE A 28 5.760 -19.553 -5.207 1.00 0.00 H new ATOM 0 HD11 ILE A 28 3.328 -21.525 -3.354 1.00 0.00 H new ATOM 0 HD12 ILE A 28 4.627 -20.385 -3.777 1.00 0.00 H new ATOM 0 HD13 ILE A 28 2.967 -20.095 -4.349 1.00 0.00 H new ATOM 426 N ASN A 29 4.814 -17.714 -7.589 1.00 0.00 N ATOM 427 CA ASN A 29 5.411 -16.801 -8.567 1.00 0.00 C ATOM 428 C ASN A 29 4.359 -15.896 -9.204 1.00 0.00 C ATOM 429 O ASN A 29 4.675 -15.096 -10.085 1.00 0.00 O ATOM 430 CB ASN A 29 6.142 -17.586 -9.665 1.00 0.00 C ATOM 431 CG ASN A 29 7.135 -16.677 -10.384 1.00 0.00 C ATOM 432 OD1 ASN A 29 7.002 -15.454 -10.341 1.00 0.00 O ATOM 433 ND2 ASN A 29 8.124 -17.206 -11.048 1.00 0.00 N ATOM 0 H ASN A 29 4.991 -17.459 -6.617 1.00 0.00 H new ATOM 0 HA ASN A 29 6.126 -16.176 -8.031 1.00 0.00 H new ATOM 0 HB2 ASN A 29 6.665 -18.437 -9.228 1.00 0.00 H new ATOM 0 HB3 ASN A 29 5.421 -17.987 -10.378 1.00 0.00 H new ATOM 0 HD21 ASN A 29 8.791 -16.606 -11.534 1.00 0.00 H new ATOM 0 HD22 ASN A 29 8.231 -18.220 -11.082 1.00 0.00 H new ATOM 440 N SER A 30 3.113 -16.003 -8.745 1.00 0.00 N ATOM 441 CA SER A 30 2.036 -15.160 -9.275 1.00 0.00 C ATOM 442 C SER A 30 1.736 -14.043 -8.289 1.00 0.00 C ATOM 443 O SER A 30 1.496 -14.296 -7.110 1.00 0.00 O ATOM 444 CB SER A 30 0.769 -15.983 -9.507 1.00 0.00 C ATOM 445 OG SER A 30 -0.265 -15.125 -9.975 1.00 0.00 O ATOM 0 H SER A 30 2.824 -16.656 -8.016 1.00 0.00 H new ATOM 0 HA SER A 30 2.360 -14.740 -10.227 1.00 0.00 H new ATOM 0 HB2 SER A 30 0.961 -16.772 -10.234 1.00 0.00 H new ATOM 0 HB3 SER A 30 0.463 -16.471 -8.582 1.00 0.00 H new ATOM 0 HG SER A 30 -1.080 -15.648 -10.127 1.00 0.00 H new ATOM 451 N GLU A 31 1.757 -12.805 -8.774 1.00 0.00 N ATOM 452 CA GLU A 31 1.487 -11.647 -7.923 1.00 0.00 C ATOM 453 C GLU A 31 0.136 -11.046 -8.284 1.00 0.00 C ATOM 454 O GLU A 31 -0.289 -11.111 -9.438 1.00 0.00 O ATOM 455 CB GLU A 31 2.581 -10.594 -8.108 1.00 0.00 C ATOM 456 CG GLU A 31 3.938 -11.206 -7.760 1.00 0.00 C ATOM 457 CD GLU A 31 5.037 -10.160 -7.911 1.00 0.00 C ATOM 458 OE1 GLU A 31 4.715 -9.034 -8.252 1.00 0.00 O ATOM 459 OE2 GLU A 31 6.185 -10.500 -7.681 1.00 0.00 O ATOM 0 H GLU A 31 1.957 -12.577 -9.748 1.00 0.00 H new ATOM 0 HA GLU A 31 1.473 -11.970 -6.882 1.00 0.00 H new ATOM 0 HB2 GLU A 31 2.585 -10.234 -9.137 1.00 0.00 H new ATOM 0 HB3 GLU A 31 2.384 -9.733 -7.470 1.00 0.00 H new ATOM 0 HG2 GLU A 31 3.924 -11.585 -6.738 1.00 0.00 H new ATOM 0 HG3 GLU A 31 4.141 -12.055 -8.412 1.00 0.00 H new ATOM 466 N TRP A 32 -0.540 -10.465 -7.297 1.00 0.00 N ATOM 467 CA TRP A 32 -1.850 -9.857 -7.528 1.00 0.00 C ATOM 468 C TRP A 32 -2.005 -8.576 -6.716 1.00 0.00 C ATOM 469 O TRP A 32 -1.551 -8.493 -5.575 1.00 0.00 O ATOM 470 CB TRP A 32 -2.949 -10.845 -7.137 1.00 0.00 C ATOM 471 CG TRP A 32 -2.831 -11.176 -5.681 1.00 0.00 C ATOM 472 CD1 TRP A 32 -3.568 -10.613 -4.697 1.00 0.00 C ATOM 473 CD2 TRP A 32 -1.941 -12.132 -5.031 1.00 0.00 C ATOM 474 NE1 TRP A 32 -3.193 -11.165 -3.485 1.00 0.00 N ATOM 475 CE2 TRP A 32 -2.194 -12.110 -3.637 1.00 0.00 C ATOM 476 CE3 TRP A 32 -0.951 -13.009 -5.509 1.00 0.00 C ATOM 477 CZ2 TRP A 32 -1.487 -12.933 -2.751 1.00 0.00 C ATOM 478 CZ3 TRP A 32 -0.241 -13.835 -4.619 1.00 0.00 C ATOM 479 CH2 TRP A 32 -0.509 -13.797 -3.245 1.00 0.00 C ATOM 0 H TRP A 32 -0.207 -10.402 -6.335 1.00 0.00 H new ATOM 0 HA TRP A 32 -1.934 -9.609 -8.586 1.00 0.00 H new ATOM 0 HB2 TRP A 32 -3.929 -10.415 -7.345 1.00 0.00 H new ATOM 0 HB3 TRP A 32 -2.866 -11.753 -7.735 1.00 0.00 H new ATOM 0 HD1 TRP A 32 -4.326 -9.856 -4.835 1.00 0.00 H new ATOM 0 HE1 TRP A 32 -3.603 -10.906 -2.588 1.00 0.00 H new ATOM 0 HE3 TRP A 32 -0.734 -13.049 -6.566 1.00 0.00 H new ATOM 0 HZ2 TRP A 32 -1.698 -12.899 -1.692 1.00 0.00 H new ATOM 0 HZ3 TRP A 32 0.517 -14.504 -4.998 1.00 0.00 H new ATOM 0 HH2 TRP A 32 0.040 -14.435 -2.569 1.00 0.00 H new ATOM 490 N GLN A 33 -2.651 -7.578 -7.315 1.00 0.00 N ATOM 491 CA GLN A 33 -2.869 -6.298 -6.646 1.00 0.00 C ATOM 492 C GLN A 33 -4.188 -6.319 -5.882 1.00 0.00 C ATOM 493 O GLN A 33 -5.169 -6.910 -6.332 1.00 0.00 O ATOM 494 CB GLN A 33 -2.894 -5.169 -7.679 1.00 0.00 C ATOM 495 CG GLN A 33 -1.474 -4.892 -8.176 1.00 0.00 C ATOM 496 CD GLN A 33 -0.900 -6.141 -8.833 1.00 0.00 C ATOM 497 OE1 GLN A 33 -1.613 -6.854 -9.539 1.00 0.00 O ATOM 498 NE2 GLN A 33 0.355 -6.447 -8.649 1.00 0.00 N ATOM 0 H GLN A 33 -3.032 -7.631 -8.260 1.00 0.00 H new ATOM 0 HA GLN A 33 -2.054 -6.128 -5.943 1.00 0.00 H new ATOM 0 HB2 GLN A 33 -3.535 -5.444 -8.516 1.00 0.00 H new ATOM 0 HB3 GLN A 33 -3.317 -4.267 -7.236 1.00 0.00 H new ATOM 0 HG2 GLN A 33 -1.484 -4.068 -8.889 1.00 0.00 H new ATOM 0 HG3 GLN A 33 -0.841 -4.586 -7.343 1.00 0.00 H new ATOM 0 HE21 GLN A 33 0.944 -5.855 -8.064 1.00 0.00 H new ATOM 0 HE22 GLN A 33 0.747 -7.279 -9.091 1.00 0.00 H new ATOM 507 N THR A 34 -4.202 -5.674 -4.717 1.00 0.00 N ATOM 508 CA THR A 34 -5.403 -5.624 -3.881 1.00 0.00 C ATOM 509 C THR A 34 -6.103 -4.272 -4.004 1.00 0.00 C ATOM 510 O THR A 34 -5.528 -3.304 -4.502 1.00 0.00 O ATOM 511 CB THR A 34 -5.017 -5.864 -2.421 1.00 0.00 C ATOM 512 OG1 THR A 34 -4.233 -4.775 -1.956 1.00 0.00 O ATOM 513 CG2 THR A 34 -4.211 -7.159 -2.315 1.00 0.00 C ATOM 0 H THR A 34 -3.398 -5.179 -4.330 1.00 0.00 H new ATOM 0 HA THR A 34 -6.090 -6.400 -4.220 1.00 0.00 H new ATOM 0 HB THR A 34 -5.918 -5.948 -1.813 1.00 0.00 H new ATOM 0 HG1 THR A 34 -3.478 -4.632 -2.564 1.00 0.00 H new ATOM 0 HG21 THR A 34 -3.935 -7.332 -1.275 1.00 0.00 H new ATOM 0 HG22 THR A 34 -4.814 -7.993 -2.674 1.00 0.00 H new ATOM 0 HG23 THR A 34 -3.309 -7.077 -2.921 1.00 0.00 H new ATOM 521 N ASP A 35 -7.349 -4.222 -3.540 1.00 0.00 N ATOM 522 CA ASP A 35 -8.133 -2.991 -3.591 1.00 0.00 C ATOM 523 C ASP A 35 -7.776 -2.086 -2.417 1.00 0.00 C ATOM 524 O ASP A 35 -8.278 -0.966 -2.306 1.00 0.00 O ATOM 525 CB ASP A 35 -9.626 -3.324 -3.547 1.00 0.00 C ATOM 526 CG ASP A 35 -10.032 -4.032 -4.832 1.00 0.00 C ATOM 527 OD1 ASP A 35 -9.276 -3.962 -5.787 1.00 0.00 O ATOM 528 OD2 ASP A 35 -11.091 -4.638 -4.844 1.00 0.00 O ATOM 0 H ASP A 35 -7.836 -5.017 -3.126 1.00 0.00 H new ATOM 0 HA ASP A 35 -7.905 -2.470 -4.521 1.00 0.00 H new ATOM 0 HB2 ASP A 35 -9.842 -3.958 -2.687 1.00 0.00 H new ATOM 0 HB3 ASP A 35 -10.209 -2.411 -3.424 1.00 0.00 H new ATOM 533 N ASN A 36 -6.892 -2.575 -1.550 1.00 0.00 N ATOM 534 CA ASN A 36 -6.445 -1.812 -0.385 1.00 0.00 C ATOM 535 C ASN A 36 -5.101 -1.159 -0.683 1.00 0.00 C ATOM 536 O ASN A 36 -4.330 -0.850 0.226 1.00 0.00 O ATOM 537 CB ASN A 36 -6.311 -2.738 0.826 1.00 0.00 C ATOM 538 CG ASN A 36 -7.691 -3.129 1.342 1.00 0.00 C ATOM 539 OD1 ASN A 36 -8.683 -2.474 1.023 1.00 0.00 O ATOM 540 ND2 ASN A 36 -7.815 -4.164 2.128 1.00 0.00 N ATOM 0 H ASN A 36 -6.469 -3.500 -1.632 1.00 0.00 H new ATOM 0 HA ASN A 36 -7.180 -1.039 -0.163 1.00 0.00 H new ATOM 0 HB2 ASN A 36 -5.751 -3.631 0.550 1.00 0.00 H new ATOM 0 HB3 ASN A 36 -5.747 -2.239 1.614 1.00 0.00 H new ATOM 0 HD21 ASN A 36 -8.735 -4.431 2.479 1.00 0.00 H new ATOM 0 HD22 ASN A 36 -6.992 -4.706 2.391 1.00 0.00 H new ATOM 547 N CYS A 37 -4.826 -0.958 -1.968 1.00 0.00 N ATOM 548 CA CYS A 37 -3.572 -0.347 -2.391 1.00 0.00 C ATOM 549 C CYS A 37 -2.379 -1.099 -1.789 1.00 0.00 C ATOM 550 O CYS A 37 -1.584 -0.545 -1.030 1.00 0.00 O ATOM 551 CB CYS A 37 -3.557 1.150 -1.996 1.00 0.00 C ATOM 552 SG CYS A 37 -3.964 2.166 -3.440 1.00 0.00 S ATOM 0 H CYS A 37 -5.453 -1.209 -2.732 1.00 0.00 H new ATOM 0 HA CYS A 37 -3.488 -0.413 -3.476 1.00 0.00 H new ATOM 0 HB2 CYS A 37 -4.275 1.332 -1.197 1.00 0.00 H new ATOM 0 HB3 CYS A 37 -2.575 1.425 -1.611 1.00 0.00 H new ATOM 557 N GLU A 38 -2.264 -2.371 -2.151 1.00 0.00 N ATOM 558 CA GLU A 38 -1.172 -3.207 -1.674 1.00 0.00 C ATOM 559 C GLU A 38 -1.021 -4.394 -2.616 1.00 0.00 C ATOM 560 O GLU A 38 -1.988 -4.796 -3.262 1.00 0.00 O ATOM 561 CB GLU A 38 -1.456 -3.695 -0.250 1.00 0.00 C ATOM 562 CG GLU A 38 -0.256 -4.490 0.269 1.00 0.00 C ATOM 563 CD GLU A 38 -0.509 -4.943 1.703 1.00 0.00 C ATOM 564 OE1 GLU A 38 -1.646 -4.855 2.137 1.00 0.00 O ATOM 565 OE2 GLU A 38 0.436 -5.371 2.344 1.00 0.00 O ATOM 0 H GLU A 38 -2.916 -2.846 -2.775 1.00 0.00 H new ATOM 0 HA GLU A 38 -0.248 -2.629 -1.656 1.00 0.00 H new ATOM 0 HB2 GLU A 38 -1.653 -2.845 0.404 1.00 0.00 H new ATOM 0 HB3 GLU A 38 -2.350 -4.319 -0.240 1.00 0.00 H new ATOM 0 HG2 GLU A 38 -0.080 -5.356 -0.369 1.00 0.00 H new ATOM 0 HG3 GLU A 38 0.643 -3.875 0.227 1.00 0.00 H new ATOM 572 N THR A 39 0.184 -4.951 -2.706 1.00 0.00 N ATOM 573 CA THR A 39 0.426 -6.098 -3.595 1.00 0.00 C ATOM 574 C THR A 39 1.101 -7.231 -2.837 1.00 0.00 C ATOM 575 O THR A 39 2.099 -7.017 -2.152 1.00 0.00 O ATOM 576 CB THR A 39 1.308 -5.665 -4.765 1.00 0.00 C ATOM 577 OG1 THR A 39 0.633 -4.663 -5.510 1.00 0.00 O ATOM 578 CG2 THR A 39 1.597 -6.868 -5.664 1.00 0.00 C ATOM 0 H THR A 39 1.002 -4.636 -2.184 1.00 0.00 H new ATOM 0 HA THR A 39 -0.533 -6.454 -3.972 1.00 0.00 H new ATOM 0 HB THR A 39 2.250 -5.268 -4.387 1.00 0.00 H new ATOM 0 HG1 THR A 39 1.021 -4.606 -6.408 1.00 0.00 H new ATOM 0 HG21 THR A 39 2.226 -6.556 -6.498 1.00 0.00 H new ATOM 0 HG22 THR A 39 2.112 -7.637 -5.088 1.00 0.00 H new ATOM 0 HG23 THR A 39 0.659 -7.269 -6.048 1.00 0.00 H new ATOM 586 N CYS A 40 0.540 -8.439 -2.954 1.00 0.00 N ATOM 587 CA CYS A 40 1.083 -9.613 -2.262 1.00 0.00 C ATOM 588 C CYS A 40 1.530 -10.693 -3.251 1.00 0.00 C ATOM 589 O CYS A 40 1.020 -10.795 -4.368 1.00 0.00 O ATOM 590 CB CYS A 40 0.029 -10.173 -1.280 1.00 0.00 C ATOM 591 SG CYS A 40 0.509 -9.873 0.443 1.00 0.00 S ATOM 0 H CYS A 40 -0.287 -8.629 -3.519 1.00 0.00 H new ATOM 0 HA CYS A 40 1.965 -9.303 -1.702 1.00 0.00 H new ATOM 0 HB2 CYS A 40 -0.937 -9.709 -1.477 1.00 0.00 H new ATOM 0 HB3 CYS A 40 -0.092 -11.244 -1.445 1.00 0.00 H new ATOM 596 N THR A 41 2.496 -11.495 -2.805 1.00 0.00 N ATOM 597 CA THR A 41 3.049 -12.589 -3.614 1.00 0.00 C ATOM 598 C THR A 41 2.965 -13.919 -2.863 1.00 0.00 C ATOM 599 O THR A 41 3.333 -14.001 -1.693 1.00 0.00 O ATOM 600 CB THR A 41 4.514 -12.292 -3.942 1.00 0.00 C ATOM 601 OG1 THR A 41 4.605 -11.031 -4.586 1.00 0.00 O ATOM 602 CG2 THR A 41 5.069 -13.381 -4.866 1.00 0.00 C ATOM 0 H THR A 41 2.917 -11.409 -1.880 1.00 0.00 H new ATOM 0 HA THR A 41 2.466 -12.666 -4.532 1.00 0.00 H new ATOM 0 HB THR A 41 5.095 -12.274 -3.020 1.00 0.00 H new ATOM 0 HG1 THR A 41 5.543 -10.838 -4.796 1.00 0.00 H new ATOM 0 HG21 THR A 41 6.112 -13.165 -5.097 1.00 0.00 H new ATOM 0 HG22 THR A 41 5.000 -14.349 -4.370 1.00 0.00 H new ATOM 0 HG23 THR A 41 4.490 -13.404 -5.789 1.00 0.00 H new ATOM 610 N CYS A 42 2.485 -14.962 -3.545 1.00 0.00 N ATOM 611 CA CYS A 42 2.367 -16.285 -2.928 1.00 0.00 C ATOM 612 C CYS A 42 3.659 -17.085 -3.102 1.00 0.00 C ATOM 613 O CYS A 42 4.111 -17.318 -4.223 1.00 0.00 O ATOM 614 CB CYS A 42 1.199 -17.071 -3.554 1.00 0.00 C ATOM 615 SG CYS A 42 0.519 -18.212 -2.334 1.00 0.00 S ATOM 0 H CYS A 42 2.174 -14.917 -4.516 1.00 0.00 H new ATOM 0 HA CYS A 42 2.178 -16.138 -1.865 1.00 0.00 H new ATOM 0 HB2 CYS A 42 0.425 -16.383 -3.895 1.00 0.00 H new ATOM 0 HB3 CYS A 42 1.545 -17.621 -4.429 1.00 0.00 H new ATOM 620 N TYR A 43 4.223 -17.536 -1.985 1.00 0.00 N ATOM 621 CA TYR A 43 5.444 -18.354 -2.001 1.00 0.00 C ATOM 622 C TYR A 43 5.117 -19.749 -1.480 1.00 0.00 C ATOM 623 O TYR A 43 3.972 -20.042 -1.136 1.00 0.00 O ATOM 624 CB TYR A 43 6.555 -17.726 -1.144 1.00 0.00 C ATOM 625 CG TYR A 43 7.224 -16.603 -1.902 1.00 0.00 C ATOM 626 CD1 TYR A 43 8.263 -16.886 -2.797 1.00 0.00 C ATOM 627 CD2 TYR A 43 6.806 -15.283 -1.710 1.00 0.00 C ATOM 628 CE1 TYR A 43 8.884 -15.848 -3.499 1.00 0.00 C ATOM 629 CE2 TYR A 43 7.428 -14.244 -2.411 1.00 0.00 C ATOM 630 CZ TYR A 43 8.467 -14.527 -3.307 1.00 0.00 C ATOM 631 OH TYR A 43 9.080 -13.502 -3.998 1.00 0.00 O ATOM 0 H TYR A 43 3.856 -17.351 -1.051 1.00 0.00 H new ATOM 0 HA TYR A 43 5.808 -18.410 -3.027 1.00 0.00 H new ATOM 0 HB2 TYR A 43 6.136 -17.347 -0.212 1.00 0.00 H new ATOM 0 HB3 TYR A 43 7.291 -18.484 -0.877 1.00 0.00 H new ATOM 0 HD1 TYR A 43 8.585 -17.906 -2.945 1.00 0.00 H new ATOM 0 HD2 TYR A 43 6.003 -15.065 -1.021 1.00 0.00 H new ATOM 0 HE1 TYR A 43 9.685 -16.067 -4.189 1.00 0.00 H new ATOM 0 HE2 TYR A 43 7.107 -13.224 -2.261 1.00 0.00 H new ATOM 0 HH TYR A 43 8.669 -12.648 -3.749 1.00 0.00 H new ATOM 641 N GLU A 44 6.119 -20.617 -1.451 1.00 0.00 N ATOM 642 CA GLU A 44 5.927 -21.994 -1.005 1.00 0.00 C ATOM 643 C GLU A 44 5.086 -22.085 0.265 1.00 0.00 C ATOM 644 O GLU A 44 4.055 -22.757 0.281 1.00 0.00 O ATOM 645 CB GLU A 44 7.283 -22.636 -0.730 1.00 0.00 C ATOM 646 CG GLU A 44 8.062 -22.767 -2.036 1.00 0.00 C ATOM 647 CD GLU A 44 9.445 -23.340 -1.755 1.00 0.00 C ATOM 648 OE1 GLU A 44 9.738 -23.590 -0.597 1.00 0.00 O ATOM 649 OE2 GLU A 44 10.193 -23.525 -2.702 1.00 0.00 O ATOM 0 H GLU A 44 7.074 -20.394 -1.731 1.00 0.00 H new ATOM 0 HA GLU A 44 5.398 -22.516 -1.802 1.00 0.00 H new ATOM 0 HB2 GLU A 44 7.845 -22.031 -0.019 1.00 0.00 H new ATOM 0 HB3 GLU A 44 7.147 -23.618 -0.276 1.00 0.00 H new ATOM 0 HG2 GLU A 44 7.524 -23.414 -2.728 1.00 0.00 H new ATOM 0 HG3 GLU A 44 8.152 -21.792 -2.516 1.00 0.00 H new ATOM 656 N THR A 45 5.538 -21.435 1.340 1.00 0.00 N ATOM 657 CA THR A 45 4.815 -21.490 2.616 1.00 0.00 C ATOM 658 C THR A 45 4.771 -20.121 3.296 1.00 0.00 C ATOM 659 O THR A 45 4.830 -20.026 4.521 1.00 0.00 O ATOM 660 CB THR A 45 5.502 -22.501 3.538 1.00 0.00 C ATOM 661 OG1 THR A 45 6.769 -21.993 3.933 1.00 0.00 O ATOM 662 CG2 THR A 45 5.692 -23.824 2.794 1.00 0.00 C ATOM 0 H THR A 45 6.388 -20.872 1.356 1.00 0.00 H new ATOM 0 HA THR A 45 3.788 -21.796 2.416 1.00 0.00 H new ATOM 0 HB THR A 45 4.884 -22.668 4.421 1.00 0.00 H new ATOM 0 HG1 THR A 45 7.210 -22.638 4.525 1.00 0.00 H new ATOM 0 HG21 THR A 45 6.181 -24.544 3.451 1.00 0.00 H new ATOM 0 HG22 THR A 45 4.720 -24.213 2.489 1.00 0.00 H new ATOM 0 HG23 THR A 45 6.310 -23.660 1.911 1.00 0.00 H new ATOM 670 N GLU A 46 4.656 -19.062 2.499 1.00 0.00 N ATOM 671 CA GLU A 46 4.588 -17.710 3.049 1.00 0.00 C ATOM 672 C GLU A 46 4.101 -16.723 1.993 1.00 0.00 C ATOM 673 O GLU A 46 4.109 -17.019 0.799 1.00 0.00 O ATOM 674 CB GLU A 46 5.968 -17.269 3.568 1.00 0.00 C ATOM 675 CG GLU A 46 6.951 -17.137 2.402 1.00 0.00 C ATOM 676 CD GLU A 46 8.357 -16.864 2.929 1.00 0.00 C ATOM 677 OE1 GLU A 46 8.742 -17.503 3.895 1.00 0.00 O ATOM 678 OE2 GLU A 46 9.027 -16.020 2.359 1.00 0.00 O ATOM 0 H GLU A 46 4.608 -19.111 1.481 1.00 0.00 H new ATOM 0 HA GLU A 46 3.881 -17.719 3.878 1.00 0.00 H new ATOM 0 HB2 GLU A 46 5.881 -16.316 4.090 1.00 0.00 H new ATOM 0 HB3 GLU A 46 6.343 -17.995 4.289 1.00 0.00 H new ATOM 0 HG2 GLU A 46 6.948 -18.051 1.808 1.00 0.00 H new ATOM 0 HG3 GLU A 46 6.638 -16.328 1.742 1.00 0.00 H new ATOM 685 N ILE A 47 3.685 -15.544 2.440 1.00 0.00 N ATOM 686 CA ILE A 47 3.212 -14.501 1.534 1.00 0.00 C ATOM 687 C ILE A 47 3.947 -13.206 1.840 1.00 0.00 C ATOM 688 O ILE A 47 4.009 -12.771 2.989 1.00 0.00 O ATOM 689 CB ILE A 47 1.699 -14.301 1.692 1.00 0.00 C ATOM 690 CG1 ILE A 47 0.950 -15.591 1.275 1.00 0.00 C ATOM 691 CG2 ILE A 47 1.244 -13.146 0.796 1.00 0.00 C ATOM 692 CD1 ILE A 47 -0.352 -15.719 2.070 1.00 0.00 C ATOM 0 H ILE A 47 3.665 -15.285 3.426 1.00 0.00 H new ATOM 0 HA ILE A 47 3.411 -14.799 0.505 1.00 0.00 H new ATOM 0 HB ILE A 47 1.475 -14.074 2.734 1.00 0.00 H new ATOM 0 HG12 ILE A 47 0.733 -15.567 0.207 1.00 0.00 H new ATOM 0 HG13 ILE A 47 1.581 -16.462 1.452 1.00 0.00 H new ATOM 0 HG21 ILE A 47 0.169 -13.002 0.906 1.00 0.00 H new ATOM 0 HG22 ILE A 47 1.764 -12.233 1.086 1.00 0.00 H new ATOM 0 HG23 ILE A 47 1.474 -13.380 -0.244 1.00 0.00 H new ATOM 0 HD11 ILE A 47 -0.873 -16.629 1.771 1.00 0.00 H new ATOM 0 HD12 ILE A 47 -0.125 -15.764 3.135 1.00 0.00 H new ATOM 0 HD13 ILE A 47 -0.986 -14.855 1.871 1.00 0.00 H new ATOM 704 N SER A 48 4.483 -12.580 0.800 1.00 0.00 N ATOM 705 CA SER A 48 5.199 -11.316 0.949 1.00 0.00 C ATOM 706 C SER A 48 4.310 -10.204 0.437 1.00 0.00 C ATOM 707 O SER A 48 3.501 -10.430 -0.454 1.00 0.00 O ATOM 708 CB SER A 48 6.498 -11.347 0.150 1.00 0.00 C ATOM 709 OG SER A 48 7.337 -12.379 0.650 1.00 0.00 O ATOM 0 H SER A 48 4.436 -12.926 -0.158 1.00 0.00 H new ATOM 0 HA SER A 48 5.445 -11.152 1.998 1.00 0.00 H new ATOM 0 HB2 SER A 48 6.284 -11.517 -0.905 1.00 0.00 H new ATOM 0 HB3 SER A 48 7.005 -10.385 0.222 1.00 0.00 H new ATOM 0 HG SER A 48 8.024 -11.990 1.231 1.00 0.00 H new ATOM 715 N CYS A 49 4.445 -9.013 1.004 1.00 0.00 N ATOM 716 CA CYS A 49 3.614 -7.886 0.584 1.00 0.00 C ATOM 717 C CYS A 49 4.404 -6.588 0.582 1.00 0.00 C ATOM 718 O CYS A 49 5.398 -6.443 1.291 1.00 0.00 O ATOM 719 CB CYS A 49 2.380 -7.768 1.512 1.00 0.00 C ATOM 720 SG CYS A 49 0.847 -7.887 0.547 1.00 0.00 S ATOM 0 H CYS A 49 5.112 -8.800 1.746 1.00 0.00 H new ATOM 0 HA CYS A 49 3.278 -8.070 -0.436 1.00 0.00 H new ATOM 0 HB2 CYS A 49 2.406 -8.557 2.264 1.00 0.00 H new ATOM 0 HB3 CYS A 49 2.408 -6.818 2.046 1.00 0.00 H new ATOM 725 N CYS A 50 3.923 -5.649 -0.217 1.00 0.00 N ATOM 726 CA CYS A 50 4.537 -4.331 -0.317 1.00 0.00 C ATOM 727 C CYS A 50 3.485 -3.308 -0.727 1.00 0.00 C ATOM 728 O CYS A 50 2.781 -3.481 -1.723 1.00 0.00 O ATOM 729 CB CYS A 50 5.716 -4.344 -1.302 1.00 0.00 C ATOM 730 SG CYS A 50 7.218 -4.852 -0.420 1.00 0.00 S ATOM 0 H CYS A 50 3.103 -5.775 -0.811 1.00 0.00 H new ATOM 0 HA CYS A 50 4.936 -4.051 0.658 1.00 0.00 H new ATOM 0 HB2 CYS A 50 5.512 -5.030 -2.124 1.00 0.00 H new ATOM 0 HB3 CYS A 50 5.852 -3.355 -1.739 1.00 0.00 H new ATOM 735 N THR A 51 3.377 -2.252 0.065 1.00 0.00 N ATOM 736 CA THR A 51 2.402 -1.211 -0.194 1.00 0.00 C ATOM 737 C THR A 51 2.701 -0.491 -1.502 1.00 0.00 C ATOM 738 O THR A 51 3.859 -0.305 -1.877 1.00 0.00 O ATOM 739 CB THR A 51 2.386 -0.221 0.970 1.00 0.00 C ATOM 740 OG1 THR A 51 1.677 0.946 0.588 1.00 0.00 O ATOM 741 CG2 THR A 51 3.820 0.146 1.359 1.00 0.00 C ATOM 0 H THR A 51 3.954 -2.096 0.892 1.00 0.00 H new ATOM 0 HA THR A 51 1.419 -1.672 -0.287 1.00 0.00 H new ATOM 0 HB THR A 51 1.892 -0.679 1.827 1.00 0.00 H new ATOM 0 HG1 THR A 51 2.305 1.690 0.481 1.00 0.00 H new ATOM 0 HG21 THR A 51 3.802 0.852 2.189 1.00 0.00 H new ATOM 0 HG22 THR A 51 4.357 -0.754 1.659 1.00 0.00 H new ATOM 0 HG23 THR A 51 4.323 0.601 0.506 1.00 0.00 H new ATOM 749 N LEU A 52 1.635 -0.109 -2.194 1.00 0.00 N ATOM 750 CA LEU A 52 1.750 0.579 -3.476 1.00 0.00 C ATOM 751 C LEU A 52 1.791 2.092 -3.276 1.00 0.00 C ATOM 752 O LEU A 52 2.007 2.844 -4.228 1.00 0.00 O ATOM 753 CB LEU A 52 0.536 0.216 -4.341 1.00 0.00 C ATOM 754 CG LEU A 52 0.553 -1.288 -4.667 1.00 0.00 C ATOM 755 CD1 LEU A 52 -0.815 -1.707 -5.217 1.00 0.00 C ATOM 756 CD2 LEU A 52 1.638 -1.605 -5.713 1.00 0.00 C ATOM 0 H LEU A 52 0.675 -0.265 -1.887 1.00 0.00 H new ATOM 0 HA LEU A 52 2.674 0.269 -3.964 1.00 0.00 H new ATOM 0 HB2 LEU A 52 -0.384 0.472 -3.816 1.00 0.00 H new ATOM 0 HB3 LEU A 52 0.550 0.797 -5.263 1.00 0.00 H new ATOM 0 HG LEU A 52 0.773 -1.839 -3.753 1.00 0.00 H new ATOM 0 HD11 LEU A 52 -0.804 -2.772 -5.448 1.00 0.00 H new ATOM 0 HD12 LEU A 52 -1.584 -1.506 -4.471 1.00 0.00 H new ATOM 0 HD13 LEU A 52 -1.032 -1.141 -6.123 1.00 0.00 H new ATOM 0 HD21 LEU A 52 1.634 -2.673 -5.930 1.00 0.00 H new ATOM 0 HD22 LEU A 52 1.435 -1.048 -6.628 1.00 0.00 H new ATOM 0 HD23 LEU A 52 2.614 -1.318 -5.323 1.00 0.00 H new ATOM 768 N VAL A 53 1.561 2.539 -2.038 1.00 0.00 N ATOM 769 CA VAL A 53 1.549 3.975 -1.731 1.00 0.00 C ATOM 770 C VAL A 53 2.798 4.410 -0.971 1.00 0.00 C ATOM 771 O VAL A 53 3.369 3.646 -0.191 1.00 0.00 O ATOM 772 CB VAL A 53 0.300 4.308 -0.905 1.00 0.00 C ATOM 773 CG1 VAL A 53 -0.971 4.209 -1.797 1.00 0.00 C ATOM 774 CG2 VAL A 53 0.202 3.323 0.270 1.00 0.00 C ATOM 0 H VAL A 53 1.382 1.934 -1.237 1.00 0.00 H new ATOM 0 HA VAL A 53 1.534 4.518 -2.676 1.00 0.00 H new ATOM 0 HB VAL A 53 0.373 5.326 -0.522 1.00 0.00 H new ATOM 0 HG11 VAL A 53 -1.853 4.447 -1.202 1.00 0.00 H new ATOM 0 HG12 VAL A 53 -0.891 4.914 -2.624 1.00 0.00 H new ATOM 0 HG13 VAL A 53 -1.061 3.197 -2.190 1.00 0.00 H new ATOM 0 HG21 VAL A 53 -0.683 3.552 0.864 1.00 0.00 H new ATOM 0 HG22 VAL A 53 0.129 2.305 -0.113 1.00 0.00 H new ATOM 0 HG23 VAL A 53 1.091 3.412 0.895 1.00 0.00 H new ATOM 784 N SER A 54 3.213 5.660 -1.213 1.00 0.00 N ATOM 785 CA SER A 54 4.394 6.228 -0.560 1.00 0.00 C ATOM 786 C SER A 54 3.979 7.080 0.635 1.00 0.00 C ATOM 787 O SER A 54 2.857 7.581 0.689 1.00 0.00 O ATOM 788 CB SER A 54 5.178 7.083 -1.558 1.00 0.00 C ATOM 789 OG SER A 54 5.247 6.407 -2.807 1.00 0.00 O ATOM 0 H SER A 54 2.745 6.297 -1.858 1.00 0.00 H new ATOM 0 HA SER A 54 5.027 5.413 -0.208 1.00 0.00 H new ATOM 0 HB2 SER A 54 4.694 8.052 -1.683 1.00 0.00 H new ATOM 0 HB3 SER A 54 6.182 7.274 -1.180 1.00 0.00 H new ATOM 0 HG SER A 54 5.747 6.954 -3.448 1.00 0.00 H new ATOM 795 N THR A 55 4.891 7.239 1.596 1.00 0.00 N ATOM 796 CA THR A 55 4.600 8.034 2.796 1.00 0.00 C ATOM 797 C THR A 55 5.216 9.439 2.687 1.00 0.00 C ATOM 798 O THR A 55 6.406 9.565 2.402 1.00 0.00 O ATOM 799 CB THR A 55 5.165 7.343 4.040 1.00 0.00 C ATOM 800 OG1 THR A 55 4.843 5.959 4.004 1.00 0.00 O ATOM 801 CG2 THR A 55 4.561 7.981 5.293 1.00 0.00 C ATOM 0 H THR A 55 5.827 6.834 1.571 1.00 0.00 H new ATOM 0 HA THR A 55 3.517 8.123 2.881 1.00 0.00 H new ATOM 0 HB THR A 55 6.249 7.458 4.061 1.00 0.00 H new ATOM 0 HG1 THR A 55 5.207 5.518 4.800 1.00 0.00 H new ATOM 0 HG21 THR A 55 4.962 7.491 6.180 1.00 0.00 H new ATOM 0 HG22 THR A 55 4.813 9.041 5.319 1.00 0.00 H new ATOM 0 HG23 THR A 55 3.477 7.866 5.273 1.00 0.00 H new ATOM 809 N PRO A 56 4.456 10.493 2.921 1.00 0.00 N ATOM 810 CA PRO A 56 4.995 11.883 2.855 1.00 0.00 C ATOM 811 C PRO A 56 5.757 12.236 4.127 1.00 0.00 C ATOM 812 O PRO A 56 5.195 12.214 5.222 1.00 0.00 O ATOM 813 CB PRO A 56 3.736 12.745 2.718 1.00 0.00 C ATOM 814 CG PRO A 56 2.684 11.983 3.458 1.00 0.00 C ATOM 815 CD PRO A 56 3.017 10.498 3.264 1.00 0.00 C ATOM 0 HA PRO A 56 5.702 12.025 2.038 1.00 0.00 H new ATOM 0 HB2 PRO A 56 3.884 13.736 3.146 1.00 0.00 H new ATOM 0 HB3 PRO A 56 3.463 12.887 1.672 1.00 0.00 H new ATOM 0 HG2 PRO A 56 2.683 12.247 4.516 1.00 0.00 H new ATOM 0 HG3 PRO A 56 1.691 12.213 3.071 1.00 0.00 H new ATOM 0 HD2 PRO A 56 2.821 9.924 4.170 1.00 0.00 H new ATOM 0 HD3 PRO A 56 2.416 10.055 2.470 1.00 0.00 H new ATOM 823 N VAL A 57 7.037 12.557 3.981 1.00 0.00 N ATOM 824 CA VAL A 57 7.867 12.908 5.131 1.00 0.00 C ATOM 825 C VAL A 57 8.810 14.048 4.770 1.00 0.00 C ATOM 826 O VAL A 57 9.359 14.089 3.671 1.00 0.00 O ATOM 827 CB VAL A 57 8.668 11.681 5.568 1.00 0.00 C ATOM 828 CG1 VAL A 57 9.400 11.105 4.356 1.00 0.00 C ATOM 829 CG2 VAL A 57 9.681 12.074 6.648 1.00 0.00 C ATOM 0 H VAL A 57 7.522 12.582 3.084 1.00 0.00 H new ATOM 0 HA VAL A 57 7.228 13.235 5.951 1.00 0.00 H new ATOM 0 HB VAL A 57 7.991 10.932 5.978 1.00 0.00 H new ATOM 0 HG11 VAL A 57 9.974 10.229 4.660 1.00 0.00 H new ATOM 0 HG12 VAL A 57 8.674 10.817 3.595 1.00 0.00 H new ATOM 0 HG13 VAL A 57 10.075 11.857 3.947 1.00 0.00 H new ATOM 0 HG21 VAL A 57 10.247 11.194 6.953 1.00 0.00 H new ATOM 0 HG22 VAL A 57 10.364 12.825 6.250 1.00 0.00 H new ATOM 0 HG23 VAL A 57 9.154 12.483 7.510 1.00 0.00 H new ATOM 839 N GLY A 58 8.994 14.974 5.704 1.00 0.00 N ATOM 840 CA GLY A 58 9.869 16.121 5.484 1.00 0.00 C ATOM 841 C GLY A 58 9.066 17.325 5.008 1.00 0.00 C ATOM 842 O GLY A 58 9.540 18.117 4.194 1.00 0.00 O ATOM 0 H GLY A 58 8.549 14.953 6.622 1.00 0.00 H new ATOM 0 HA2 GLY A 58 10.392 16.368 6.408 1.00 0.00 H new ATOM 0 HA3 GLY A 58 10.629 15.869 4.745 1.00 0.00 H new ATOM 846 N TYR A 59 7.843 17.458 5.525 1.00 0.00 N ATOM 847 CA TYR A 59 6.973 18.575 5.147 1.00 0.00 C ATOM 848 C TYR A 59 6.397 19.231 6.392 1.00 0.00 C ATOM 849 O TYR A 59 6.398 18.645 7.474 1.00 0.00 O ATOM 850 CB TYR A 59 5.830 18.085 4.250 1.00 0.00 C ATOM 851 CG TYR A 59 4.841 17.260 5.049 1.00 0.00 C ATOM 852 CD1 TYR A 59 5.164 15.951 5.428 1.00 0.00 C ATOM 853 CD2 TYR A 59 3.589 17.802 5.399 1.00 0.00 C ATOM 854 CE1 TYR A 59 4.243 15.184 6.154 1.00 0.00 C ATOM 855 CE2 TYR A 59 2.673 17.033 6.124 1.00 0.00 C ATOM 856 CZ TYR A 59 2.998 15.725 6.498 1.00 0.00 C ATOM 857 OH TYR A 59 2.092 14.970 7.213 1.00 0.00 O ATOM 0 H TYR A 59 7.435 16.813 6.201 1.00 0.00 H new ATOM 0 HA TYR A 59 7.567 19.304 4.596 1.00 0.00 H new ATOM 0 HB2 TYR A 59 5.321 18.938 3.801 1.00 0.00 H new ATOM 0 HB3 TYR A 59 6.233 17.488 3.432 1.00 0.00 H new ATOM 0 HD1 TYR A 59 6.123 15.533 5.161 1.00 0.00 H new ATOM 0 HD2 TYR A 59 3.336 18.811 5.108 1.00 0.00 H new ATOM 0 HE1 TYR A 59 4.493 14.175 6.448 1.00 0.00 H new ATOM 0 HE2 TYR A 59 1.714 17.449 6.395 1.00 0.00 H new ATOM 0 HH TYR A 59 1.280 15.495 7.369 1.00 0.00 H new ATOM 867 N ASP A 60 5.910 20.451 6.229 1.00 0.00 N ATOM 868 CA ASP A 60 5.336 21.181 7.354 1.00 0.00 C ATOM 869 C ASP A 60 3.952 20.641 7.682 1.00 0.00 C ATOM 870 O ASP A 60 2.977 20.942 6.996 1.00 0.00 O ATOM 871 CB ASP A 60 5.241 22.671 7.024 1.00 0.00 C ATOM 872 CG ASP A 60 6.632 23.292 7.004 1.00 0.00 C ATOM 873 OD1 ASP A 60 7.548 22.663 7.506 1.00 0.00 O ATOM 874 OD2 ASP A 60 6.762 24.391 6.489 1.00 0.00 O ATOM 0 H ASP A 60 5.899 20.954 5.341 1.00 0.00 H new ATOM 0 HA ASP A 60 5.985 21.047 8.220 1.00 0.00 H new ATOM 0 HB2 ASP A 60 4.759 22.807 6.056 1.00 0.00 H new ATOM 0 HB3 ASP A 60 4.619 23.176 7.763 1.00 0.00 H new ATOM 879 N LYS A 61 3.882 19.828 8.723 1.00 0.00 N ATOM 880 CA LYS A 61 2.618 19.232 9.117 1.00 0.00 C ATOM 881 C LYS A 61 1.586 20.300 9.446 1.00 0.00 C ATOM 882 O LYS A 61 0.430 20.194 9.041 1.00 0.00 O ATOM 883 CB LYS A 61 2.819 18.353 10.349 1.00 0.00 C ATOM 884 CG LYS A 61 3.685 17.136 9.996 1.00 0.00 C ATOM 885 CD LYS A 61 4.010 16.339 11.270 1.00 0.00 C ATOM 886 CE LYS A 61 2.791 15.521 11.718 1.00 0.00 C ATOM 887 NZ LYS A 61 3.203 14.562 12.787 1.00 0.00 N ATOM 0 H LYS A 61 4.678 19.568 9.305 1.00 0.00 H new ATOM 0 HA LYS A 61 2.257 18.634 8.280 1.00 0.00 H new ATOM 0 HB2 LYS A 61 3.295 18.929 11.142 1.00 0.00 H new ATOM 0 HB3 LYS A 61 1.853 18.023 10.731 1.00 0.00 H new ATOM 0 HG2 LYS A 61 3.161 16.500 9.282 1.00 0.00 H new ATOM 0 HG3 LYS A 61 4.607 17.462 9.515 1.00 0.00 H new ATOM 0 HD2 LYS A 61 4.853 15.674 11.085 1.00 0.00 H new ATOM 0 HD3 LYS A 61 4.310 17.021 12.066 1.00 0.00 H new ATOM 0 HE2 LYS A 61 2.011 16.185 12.090 1.00 0.00 H new ATOM 0 HE3 LYS A 61 2.371 14.979 10.870 1.00 0.00 H new ATOM 0 HZ1 LYS A 61 2.378 14.007 13.092 1.00 0.00 H new ATOM 0 HZ2 LYS A 61 3.934 13.922 12.416 1.00 0.00 H new ATOM 0 HZ3 LYS A 61 3.584 15.089 13.598 1.00 0.00 H new ATOM 901 N ASP A 62 1.994 21.319 10.188 1.00 0.00 N ATOM 902 CA ASP A 62 1.077 22.382 10.567 1.00 0.00 C ATOM 903 C ASP A 62 0.559 23.124 9.341 1.00 0.00 C ATOM 904 O ASP A 62 -0.608 23.513 9.287 1.00 0.00 O ATOM 905 CB ASP A 62 1.795 23.362 11.494 1.00 0.00 C ATOM 906 CG ASP A 62 0.846 24.474 11.923 1.00 0.00 C ATOM 907 OD1 ASP A 62 -0.267 24.502 11.426 1.00 0.00 O ATOM 908 OD2 ASP A 62 1.248 25.280 12.746 1.00 0.00 O ATOM 0 H ASP A 62 2.946 21.432 10.537 1.00 0.00 H new ATOM 0 HA ASP A 62 0.225 21.937 11.081 1.00 0.00 H new ATOM 0 HB2 ASP A 62 2.170 22.835 12.372 1.00 0.00 H new ATOM 0 HB3 ASP A 62 2.659 23.788 10.985 1.00 0.00 H new ATOM 913 N ASN A 63 1.435 23.332 8.359 1.00 0.00 N ATOM 914 CA ASN A 63 1.054 24.041 7.141 1.00 0.00 C ATOM 915 C ASN A 63 0.873 23.070 5.985 1.00 0.00 C ATOM 916 O ASN A 63 1.369 23.327 4.897 1.00 0.00 O ATOM 917 CB ASN A 63 2.133 25.052 6.756 1.00 0.00 C ATOM 918 CG ASN A 63 2.186 26.174 7.783 1.00 0.00 C ATOM 919 OD1 ASN A 63 1.221 26.390 8.516 1.00 0.00 O ATOM 920 ND2 ASN A 63 3.260 26.906 7.881 1.00 0.00 N ATOM 0 H ASN A 63 2.406 23.022 8.383 1.00 0.00 H new ATOM 0 HA ASN A 63 0.113 24.554 7.338 1.00 0.00 H new ATOM 0 HB2 ASN A 63 3.102 24.557 6.696 1.00 0.00 H new ATOM 0 HB3 ASN A 63 1.923 25.462 5.768 1.00 0.00 H new ATOM 0 HD21 ASN A 63 3.302 27.660 8.566 1.00 0.00 H new ATOM 0 HD22 ASN A 63 4.058 26.725 7.272 1.00 0.00 H new ATOM 927 N CYS A 64 0.134 21.986 6.229 1.00 0.00 N ATOM 928 CA CYS A 64 -0.156 20.988 5.193 1.00 0.00 C ATOM 929 C CYS A 64 -0.623 19.676 5.824 1.00 0.00 C ATOM 930 O CYS A 64 -0.122 19.261 6.867 1.00 0.00 O ATOM 931 CB CYS A 64 1.073 20.721 4.297 1.00 0.00 C ATOM 932 SG CYS A 64 1.044 21.818 2.857 1.00 0.00 S ATOM 0 H CYS A 64 -0.277 21.775 7.138 1.00 0.00 H new ATOM 0 HA CYS A 64 -0.953 21.394 4.570 1.00 0.00 H new ATOM 0 HB2 CYS A 64 1.989 20.880 4.866 1.00 0.00 H new ATOM 0 HB3 CYS A 64 1.076 19.681 3.971 1.00 0.00 H new ATOM 937 N GLN A 65 -1.574 19.019 5.163 1.00 0.00 N ATOM 938 CA GLN A 65 -2.094 17.733 5.636 1.00 0.00 C ATOM 939 C GLN A 65 -2.068 16.711 4.503 1.00 0.00 C ATOM 940 O GLN A 65 -2.318 17.045 3.345 1.00 0.00 O ATOM 941 CB GLN A 65 -3.523 17.890 6.147 1.00 0.00 C ATOM 942 CG GLN A 65 -4.377 18.567 5.076 1.00 0.00 C ATOM 943 CD GLN A 65 -5.837 18.577 5.508 1.00 0.00 C ATOM 944 OE1 GLN A 65 -6.656 17.848 4.946 1.00 0.00 O ATOM 945 NE2 GLN A 65 -6.216 19.357 6.479 1.00 0.00 N ATOM 0 H GLN A 65 -2.001 19.353 4.299 1.00 0.00 H new ATOM 0 HA GLN A 65 -1.462 17.385 6.453 1.00 0.00 H new ATOM 0 HB2 GLN A 65 -3.940 16.914 6.397 1.00 0.00 H new ATOM 0 HB3 GLN A 65 -3.530 18.483 7.061 1.00 0.00 H new ATOM 0 HG2 GLN A 65 -4.030 19.587 4.913 1.00 0.00 H new ATOM 0 HG3 GLN A 65 -4.273 18.039 4.128 1.00 0.00 H new ATOM 0 HE21 GLN A 65 -5.537 19.960 6.943 1.00 0.00 H new ATOM 0 HE22 GLN A 65 -7.192 19.365 6.775 1.00 0.00 H new ATOM 954 N ARG A 66 -1.754 15.467 4.846 1.00 0.00 N ATOM 955 CA ARG A 66 -1.690 14.398 3.852 1.00 0.00 C ATOM 956 C ARG A 66 -3.078 13.808 3.610 1.00 0.00 C ATOM 957 O ARG A 66 -3.855 13.627 4.547 1.00 0.00 O ATOM 958 CB ARG A 66 -0.736 13.303 4.342 1.00 0.00 C ATOM 959 CG ARG A 66 -1.232 12.762 5.685 1.00 0.00 C ATOM 960 CD ARG A 66 -0.251 11.714 6.210 1.00 0.00 C ATOM 961 NE ARG A 66 -0.753 11.137 7.454 1.00 0.00 N ATOM 962 CZ ARG A 66 -0.541 11.730 8.626 1.00 0.00 C ATOM 963 NH1 ARG A 66 0.127 12.851 8.679 1.00 0.00 N ATOM 964 NH2 ARG A 66 -1.002 11.193 9.722 1.00 0.00 N ATOM 0 H ARG A 66 -1.541 15.173 5.799 1.00 0.00 H new ATOM 0 HA ARG A 66 -1.322 14.810 2.913 1.00 0.00 H new ATOM 0 HB2 ARG A 66 -0.683 12.497 3.610 1.00 0.00 H new ATOM 0 HB3 ARG A 66 0.272 13.704 4.449 1.00 0.00 H new ATOM 0 HG2 ARG A 66 -1.329 13.576 6.403 1.00 0.00 H new ATOM 0 HG3 ARG A 66 -2.222 12.321 5.568 1.00 0.00 H new ATOM 0 HD2 ARG A 66 -0.112 10.930 5.466 1.00 0.00 H new ATOM 0 HD3 ARG A 66 0.725 12.170 6.379 1.00 0.00 H new ATOM 0 HE ARG A 66 -1.276 10.262 7.424 1.00 0.00 H new ATOM 0 HH11 ARG A 66 0.486 13.272 7.822 1.00 0.00 H new ATOM 0 HH12 ARG A 66 0.290 13.306 9.577 1.00 0.00 H new ATOM 0 HH21 ARG A 66 -1.525 10.318 9.681 1.00 0.00 H new ATOM 0 HH22 ARG A 66 -0.839 11.648 10.620 1.00 0.00 H new ATOM 978 N ILE A 67 -3.396 13.536 2.342 1.00 0.00 N ATOM 979 CA ILE A 67 -4.711 12.988 1.977 1.00 0.00 C ATOM 980 C ILE A 67 -4.562 11.711 1.148 1.00 0.00 C ATOM 981 O ILE A 67 -3.759 11.654 0.217 1.00 0.00 O ATOM 982 CB ILE A 67 -5.486 14.035 1.182 1.00 0.00 C ATOM 983 CG1 ILE A 67 -5.652 15.293 2.042 1.00 0.00 C ATOM 984 CG2 ILE A 67 -6.868 13.480 0.816 1.00 0.00 C ATOM 985 CD1 ILE A 67 -6.096 16.459 1.161 1.00 0.00 C ATOM 0 H ILE A 67 -2.767 13.684 1.553 1.00 0.00 H new ATOM 0 HA ILE A 67 -5.253 12.737 2.889 1.00 0.00 H new ATOM 0 HB ILE A 67 -4.943 14.281 0.269 1.00 0.00 H new ATOM 0 HG12 ILE A 67 -6.388 15.115 2.826 1.00 0.00 H new ATOM 0 HG13 ILE A 67 -4.711 15.535 2.536 1.00 0.00 H new ATOM 0 HG21 ILE A 67 -7.422 14.228 0.248 1.00 0.00 H new ATOM 0 HG22 ILE A 67 -6.750 12.580 0.213 1.00 0.00 H new ATOM 0 HG23 ILE A 67 -7.416 13.237 1.727 1.00 0.00 H new ATOM 0 HD11 ILE A 67 -6.214 17.353 1.773 1.00 0.00 H new ATOM 0 HD12 ILE A 67 -5.344 16.641 0.393 1.00 0.00 H new ATOM 0 HD13 ILE A 67 -7.047 16.216 0.687 1.00 0.00 H new ATOM 997 N PHE A 68 -5.327 10.683 1.509 1.00 0.00 N ATOM 998 CA PHE A 68 -5.260 9.397 0.813 1.00 0.00 C ATOM 999 C PHE A 68 -6.130 9.375 -0.447 1.00 0.00 C ATOM 1000 O PHE A 68 -7.339 9.598 -0.387 1.00 0.00 O ATOM 1001 CB PHE A 68 -5.712 8.286 1.770 1.00 0.00 C ATOM 1002 CG PHE A 68 -5.515 6.931 1.128 1.00 0.00 C ATOM 1003 CD1 PHE A 68 -4.226 6.506 0.781 1.00 0.00 C ATOM 1004 CD2 PHE A 68 -6.615 6.096 0.882 1.00 0.00 C ATOM 1005 CE1 PHE A 68 -4.038 5.253 0.191 1.00 0.00 C ATOM 1006 CE2 PHE A 68 -6.422 4.842 0.294 1.00 0.00 C ATOM 1007 CZ PHE A 68 -5.133 4.422 -0.052 1.00 0.00 C ATOM 0 H PHE A 68 -5.998 10.713 2.276 1.00 0.00 H new ATOM 0 HA PHE A 68 -4.228 9.238 0.499 1.00 0.00 H new ATOM 0 HB2 PHE A 68 -5.144 8.343 2.699 1.00 0.00 H new ATOM 0 HB3 PHE A 68 -6.762 8.424 2.030 1.00 0.00 H new ATOM 0 HD1 PHE A 68 -3.377 7.147 0.969 1.00 0.00 H new ATOM 0 HD2 PHE A 68 -7.610 6.421 1.147 1.00 0.00 H new ATOM 0 HE1 PHE A 68 -3.044 4.927 -0.077 1.00 0.00 H new ATOM 0 HE2 PHE A 68 -7.268 4.198 0.107 1.00 0.00 H new ATOM 0 HZ PHE A 68 -4.985 3.454 -0.507 1.00 0.00 H new ATOM 1017 N LYS A 69 -5.490 9.100 -1.593 1.00 0.00 N ATOM 1018 CA LYS A 69 -6.186 9.039 -2.893 1.00 0.00 C ATOM 1019 C LYS A 69 -6.067 7.635 -3.509 1.00 0.00 C ATOM 1020 O LYS A 69 -5.009 7.265 -4.020 1.00 0.00 O ATOM 1021 CB LYS A 69 -5.565 10.076 -3.870 1.00 0.00 C ATOM 1022 CG LYS A 69 -6.515 11.265 -4.096 1.00 0.00 C ATOM 1023 CD LYS A 69 -6.626 12.098 -2.821 1.00 0.00 C ATOM 1024 CE LYS A 69 -7.496 13.326 -3.097 1.00 0.00 C ATOM 1025 NZ LYS A 69 -7.623 14.136 -1.853 1.00 0.00 N ATOM 0 H LYS A 69 -4.488 8.915 -1.649 1.00 0.00 H new ATOM 0 HA LYS A 69 -7.239 9.266 -2.728 1.00 0.00 H new ATOM 0 HB2 LYS A 69 -4.617 10.435 -3.469 1.00 0.00 H new ATOM 0 HB3 LYS A 69 -5.346 9.596 -4.824 1.00 0.00 H new ATOM 0 HG2 LYS A 69 -6.146 11.885 -4.913 1.00 0.00 H new ATOM 0 HG3 LYS A 69 -7.500 10.903 -4.390 1.00 0.00 H new ATOM 0 HD2 LYS A 69 -7.062 11.502 -2.019 1.00 0.00 H new ATOM 0 HD3 LYS A 69 -5.636 12.407 -2.487 1.00 0.00 H new ATOM 0 HE2 LYS A 69 -7.053 13.927 -3.891 1.00 0.00 H new ATOM 0 HE3 LYS A 69 -8.482 13.016 -3.444 1.00 0.00 H new ATOM 0 HZ1 LYS A 69 -8.082 15.042 -2.074 1.00 0.00 H new ATOM 0 HZ2 LYS A 69 -8.197 13.617 -1.158 1.00 0.00 H new ATOM 0 HZ3 LYS A 69 -6.678 14.315 -1.457 1.00 0.00 H new ATOM 1039 N LYS A 70 -7.153 6.868 -3.468 1.00 0.00 N ATOM 1040 CA LYS A 70 -7.153 5.522 -4.040 1.00 0.00 C ATOM 1041 C LYS A 70 -6.980 5.553 -5.552 1.00 0.00 C ATOM 1042 O LYS A 70 -6.278 4.720 -6.128 1.00 0.00 O ATOM 1043 CB LYS A 70 -8.479 4.824 -3.718 1.00 0.00 C ATOM 1044 CG LYS A 70 -8.505 4.434 -2.250 1.00 0.00 C ATOM 1045 CD LYS A 70 -9.856 3.805 -1.914 1.00 0.00 C ATOM 1046 CE LYS A 70 -9.837 3.291 -0.475 1.00 0.00 C ATOM 1047 NZ LYS A 70 -9.638 4.432 0.465 1.00 0.00 N ATOM 0 H LYS A 70 -8.039 7.151 -3.048 1.00 0.00 H new ATOM 0 HA LYS A 70 -6.314 4.980 -3.602 1.00 0.00 H new ATOM 0 HB2 LYS A 70 -9.315 5.486 -3.944 1.00 0.00 H new ATOM 0 HB3 LYS A 70 -8.597 3.938 -4.342 1.00 0.00 H new ATOM 0 HG2 LYS A 70 -7.701 3.730 -2.035 1.00 0.00 H new ATOM 0 HG3 LYS A 70 -8.335 5.312 -1.626 1.00 0.00 H new ATOM 0 HD2 LYS A 70 -10.652 4.540 -2.038 1.00 0.00 H new ATOM 0 HD3 LYS A 70 -10.068 2.986 -2.601 1.00 0.00 H new ATOM 0 HE2 LYS A 70 -10.773 2.780 -0.249 1.00 0.00 H new ATOM 0 HE3 LYS A 70 -9.037 2.561 -0.350 1.00 0.00 H new ATOM 0 HZ1 LYS A 70 -9.710 4.091 1.445 1.00 0.00 H new ATOM 0 HZ2 LYS A 70 -8.697 4.848 0.312 1.00 0.00 H new ATOM 0 HZ3 LYS A 70 -10.368 5.153 0.295 1.00 0.00 H new ATOM 1061 N GLU A 71 -7.667 6.487 -6.195 1.00 0.00 N ATOM 1062 CA GLU A 71 -7.634 6.580 -7.644 1.00 0.00 C ATOM 1063 C GLU A 71 -6.210 6.651 -8.172 1.00 0.00 C ATOM 1064 O GLU A 71 -5.940 6.226 -9.296 1.00 0.00 O ATOM 1065 CB GLU A 71 -8.410 7.815 -8.105 1.00 0.00 C ATOM 1066 CG GLU A 71 -8.633 7.750 -9.619 1.00 0.00 C ATOM 1067 CD GLU A 71 -9.626 6.641 -9.949 1.00 0.00 C ATOM 1068 OE1 GLU A 71 -10.222 6.113 -9.023 1.00 0.00 O ATOM 1069 OE2 GLU A 71 -9.771 6.328 -11.118 1.00 0.00 O ATOM 0 H GLU A 71 -8.251 7.187 -5.737 1.00 0.00 H new ATOM 0 HA GLU A 71 -8.098 5.678 -8.043 1.00 0.00 H new ATOM 0 HB2 GLU A 71 -9.368 7.868 -7.589 1.00 0.00 H new ATOM 0 HB3 GLU A 71 -7.859 8.720 -7.847 1.00 0.00 H new ATOM 0 HG2 GLU A 71 -9.009 8.707 -9.982 1.00 0.00 H new ATOM 0 HG3 GLU A 71 -7.687 7.566 -10.127 1.00 0.00 H new ATOM 1076 N ASP A 72 -5.299 7.188 -7.366 1.00 0.00 N ATOM 1077 CA ASP A 72 -3.898 7.310 -7.774 1.00 0.00 C ATOM 1078 C ASP A 72 -2.997 6.506 -6.848 1.00 0.00 C ATOM 1079 O ASP A 72 -1.771 6.580 -6.949 1.00 0.00 O ATOM 1080 CB ASP A 72 -3.484 8.778 -7.734 1.00 0.00 C ATOM 1081 CG ASP A 72 -4.223 9.559 -8.815 1.00 0.00 C ATOM 1082 OD1 ASP A 72 -4.780 8.928 -9.699 1.00 0.00 O ATOM 1083 OD2 ASP A 72 -4.225 10.777 -8.740 1.00 0.00 O ATOM 0 H ASP A 72 -5.501 7.544 -6.432 1.00 0.00 H new ATOM 0 HA ASP A 72 -3.794 6.921 -8.787 1.00 0.00 H new ATOM 0 HB2 ASP A 72 -3.705 9.200 -6.754 1.00 0.00 H new ATOM 0 HB3 ASP A 72 -2.408 8.865 -7.883 1.00 0.00 H new ATOM 1088 N CYS A 73 -3.608 5.731 -5.951 1.00 0.00 N ATOM 1089 CA CYS A 73 -2.848 4.907 -5.010 1.00 0.00 C ATOM 1090 C CYS A 73 -1.584 5.631 -4.538 1.00 0.00 C ATOM 1091 O CYS A 73 -0.468 5.214 -4.843 1.00 0.00 O ATOM 1092 CB CYS A 73 -2.479 3.579 -5.684 1.00 0.00 C ATOM 1093 SG CYS A 73 -2.211 2.299 -4.434 1.00 0.00 S ATOM 0 H CYS A 73 -4.621 5.657 -5.856 1.00 0.00 H new ATOM 0 HA CYS A 73 -3.467 4.714 -4.134 1.00 0.00 H new ATOM 0 HB2 CYS A 73 -3.275 3.274 -6.363 1.00 0.00 H new ATOM 0 HB3 CYS A 73 -1.578 3.705 -6.285 1.00 0.00 H new ATOM 1098 N LYS A 74 -1.771 6.720 -3.798 1.00 0.00 N ATOM 1099 CA LYS A 74 -0.641 7.489 -3.300 1.00 0.00 C ATOM 1100 C LYS A 74 -1.094 8.544 -2.300 1.00 0.00 C ATOM 1101 O LYS A 74 -2.265 8.925 -2.266 1.00 0.00 O ATOM 1102 CB LYS A 74 0.087 8.172 -4.467 1.00 0.00 C ATOM 1103 CG LYS A 74 -0.811 9.232 -5.131 1.00 0.00 C ATOM 1104 CD LYS A 74 -0.039 9.867 -6.296 1.00 0.00 C ATOM 1105 CE LYS A 74 -0.757 11.130 -6.780 1.00 0.00 C ATOM 1106 NZ LYS A 74 -0.034 11.692 -7.957 1.00 0.00 N ATOM 0 H LYS A 74 -2.686 7.085 -3.533 1.00 0.00 H new ATOM 0 HA LYS A 74 0.038 6.800 -2.796 1.00 0.00 H new ATOM 0 HB2 LYS A 74 1.002 8.640 -4.105 1.00 0.00 H new ATOM 0 HB3 LYS A 74 0.381 7.425 -5.204 1.00 0.00 H new ATOM 0 HG2 LYS A 74 -1.732 8.775 -5.492 1.00 0.00 H new ATOM 0 HG3 LYS A 74 -1.096 9.994 -4.406 1.00 0.00 H new ATOM 0 HD2 LYS A 74 0.974 10.115 -5.979 1.00 0.00 H new ATOM 0 HD3 LYS A 74 0.049 9.153 -7.115 1.00 0.00 H new ATOM 0 HE2 LYS A 74 -1.787 10.895 -7.050 1.00 0.00 H new ATOM 0 HE3 LYS A 74 -0.798 11.868 -5.979 1.00 0.00 H new ATOM 0 HZ1 LYS A 74 -0.521 12.550 -8.286 1.00 0.00 H new ATOM 0 HZ2 LYS A 74 0.941 11.930 -7.684 1.00 0.00 H new ATOM 0 HZ3 LYS A 74 -0.017 10.988 -8.722 1.00 0.00 H new ATOM 1120 N TYR A 75 -0.146 9.031 -1.506 1.00 0.00 N ATOM 1121 CA TYR A 75 -0.423 10.075 -0.520 1.00 0.00 C ATOM 1122 C TYR A 75 0.065 11.410 -1.059 1.00 0.00 C ATOM 1123 O TYR A 75 1.165 11.503 -1.606 1.00 0.00 O ATOM 1124 CB TYR A 75 0.298 9.764 0.803 1.00 0.00 C ATOM 1125 CG TYR A 75 -0.528 8.819 1.641 1.00 0.00 C ATOM 1126 CD1 TYR A 75 -1.571 9.327 2.424 1.00 0.00 C ATOM 1127 CD2 TYR A 75 -0.245 7.449 1.650 1.00 0.00 C ATOM 1128 CE1 TYR A 75 -2.335 8.464 3.214 1.00 0.00 C ATOM 1129 CE2 TYR A 75 -1.010 6.584 2.443 1.00 0.00 C ATOM 1130 CZ TYR A 75 -2.055 7.092 3.226 1.00 0.00 C ATOM 1131 OH TYR A 75 -2.809 6.239 4.008 1.00 0.00 O ATOM 0 H TYR A 75 0.825 8.719 -1.525 1.00 0.00 H new ATOM 0 HA TYR A 75 -1.496 10.116 -0.335 1.00 0.00 H new ATOM 0 HB2 TYR A 75 1.273 9.322 0.598 1.00 0.00 H new ATOM 0 HB3 TYR A 75 0.476 10.688 1.354 1.00 0.00 H new ATOM 0 HD1 TYR A 75 -1.785 10.386 2.418 1.00 0.00 H new ATOM 0 HD2 TYR A 75 0.562 7.059 1.047 1.00 0.00 H new ATOM 0 HE1 TYR A 75 -3.142 8.855 3.816 1.00 0.00 H new ATOM 0 HE2 TYR A 75 -0.794 5.526 2.451 1.00 0.00 H new ATOM 0 HH TYR A 75 -2.483 5.321 3.899 1.00 0.00 H new ATOM 1141 N ILE A 76 -0.749 12.446 -0.896 1.00 0.00 N ATOM 1142 CA ILE A 76 -0.395 13.781 -1.359 1.00 0.00 C ATOM 1143 C ILE A 76 -0.588 14.778 -0.230 1.00 0.00 C ATOM 1144 O ILE A 76 -1.502 14.636 0.582 1.00 0.00 O ATOM 1145 CB ILE A 76 -1.268 14.163 -2.558 1.00 0.00 C ATOM 1146 CG1 ILE A 76 -2.749 14.100 -2.166 1.00 0.00 C ATOM 1147 CG2 ILE A 76 -1.008 13.188 -3.707 1.00 0.00 C ATOM 1148 CD1 ILE A 76 -3.606 14.613 -3.326 1.00 0.00 C ATOM 0 H ILE A 76 -1.662 12.386 -0.445 1.00 0.00 H new ATOM 0 HA ILE A 76 0.650 13.793 -1.669 1.00 0.00 H new ATOM 0 HB ILE A 76 -1.021 15.177 -2.872 1.00 0.00 H new ATOM 0 HG12 ILE A 76 -3.028 13.076 -1.919 1.00 0.00 H new ATOM 0 HG13 ILE A 76 -2.926 14.702 -1.275 1.00 0.00 H new ATOM 0 HG21 ILE A 76 -1.629 13.459 -4.561 1.00 0.00 H new ATOM 0 HG22 ILE A 76 0.043 13.234 -3.993 1.00 0.00 H new ATOM 0 HG23 ILE A 76 -1.253 12.175 -3.387 1.00 0.00 H new ATOM 0 HD11 ILE A 76 -4.659 14.568 -3.048 1.00 0.00 H new ATOM 0 HD12 ILE A 76 -3.334 15.644 -3.551 1.00 0.00 H new ATOM 0 HD13 ILE A 76 -3.437 13.992 -4.206 1.00 0.00 H new ATOM 1160 N VAL A 77 0.274 15.786 -0.183 1.00 0.00 N ATOM 1161 CA VAL A 77 0.197 16.815 0.851 1.00 0.00 C ATOM 1162 C VAL A 77 -0.102 18.159 0.208 1.00 0.00 C ATOM 1163 O VAL A 77 0.589 18.588 -0.716 1.00 0.00 O ATOM 1164 CB VAL A 77 1.529 16.881 1.626 1.00 0.00 C ATOM 1165 CG1 VAL A 77 1.520 15.880 2.787 1.00 0.00 C ATOM 1166 CG2 VAL A 77 2.681 16.546 0.679 1.00 0.00 C ATOM 0 H VAL A 77 1.036 15.915 -0.849 1.00 0.00 H new ATOM 0 HA VAL A 77 -0.602 16.567 1.549 1.00 0.00 H new ATOM 0 HB VAL A 77 1.656 17.887 2.027 1.00 0.00 H new ATOM 0 HG11 VAL A 77 2.466 15.938 3.325 1.00 0.00 H new ATOM 0 HG12 VAL A 77 0.701 16.118 3.466 1.00 0.00 H new ATOM 0 HG13 VAL A 77 1.386 14.871 2.397 1.00 0.00 H new ATOM 0 HG21 VAL A 77 3.624 16.592 1.223 1.00 0.00 H new ATOM 0 HG22 VAL A 77 2.542 15.542 0.278 1.00 0.00 H new ATOM 0 HG23 VAL A 77 2.700 17.265 -0.140 1.00 0.00 H new ATOM 1176 N VAL A 78 -1.145 18.819 0.703 1.00 0.00 N ATOM 1177 CA VAL A 78 -1.546 20.126 0.178 1.00 0.00 C ATOM 1178 C VAL A 78 -1.747 21.102 1.332 1.00 0.00 C ATOM 1179 O VAL A 78 -1.964 20.687 2.468 1.00 0.00 O ATOM 1180 CB VAL A 78 -2.855 20.007 -0.606 1.00 0.00 C ATOM 1181 CG1 VAL A 78 -2.707 18.967 -1.725 1.00 0.00 C ATOM 1182 CG2 VAL A 78 -3.996 19.601 0.338 1.00 0.00 C ATOM 0 H VAL A 78 -1.728 18.474 1.465 1.00 0.00 H new ATOM 0 HA VAL A 78 -0.761 20.489 -0.486 1.00 0.00 H new ATOM 0 HB VAL A 78 -3.088 20.974 -1.051 1.00 0.00 H new ATOM 0 HG11 VAL A 78 -3.644 18.890 -2.277 1.00 0.00 H new ATOM 0 HG12 VAL A 78 -1.911 19.273 -2.403 1.00 0.00 H new ATOM 0 HG13 VAL A 78 -2.461 17.998 -1.291 1.00 0.00 H new ATOM 0 HG21 VAL A 78 -4.924 19.518 -0.228 1.00 0.00 H new ATOM 0 HG22 VAL A 78 -3.764 18.640 0.797 1.00 0.00 H new ATOM 0 HG23 VAL A 78 -4.111 20.356 1.116 1.00 0.00 H new ATOM 1192 N GLU A 79 -1.690 22.398 1.038 1.00 0.00 N ATOM 1193 CA GLU A 79 -1.884 23.413 2.071 1.00 0.00 C ATOM 1194 C GLU A 79 -3.303 23.339 2.620 1.00 0.00 C ATOM 1195 O GLU A 79 -4.253 23.078 1.880 1.00 0.00 O ATOM 1196 CB GLU A 79 -1.627 24.800 1.480 1.00 0.00 C ATOM 1197 CG GLU A 79 -0.142 24.935 1.130 1.00 0.00 C ATOM 1198 CD GLU A 79 0.109 26.265 0.429 1.00 0.00 C ATOM 1199 OE1 GLU A 79 -0.844 27.004 0.243 1.00 0.00 O ATOM 1200 OE2 GLU A 79 1.251 26.526 0.085 1.00 0.00 O ATOM 0 H GLU A 79 -1.513 22.768 0.104 1.00 0.00 H new ATOM 0 HA GLU A 79 -1.183 23.231 2.886 1.00 0.00 H new ATOM 0 HB2 GLU A 79 -2.237 24.947 0.589 1.00 0.00 H new ATOM 0 HB3 GLU A 79 -1.915 25.571 2.194 1.00 0.00 H new ATOM 0 HG2 GLU A 79 0.461 24.872 2.036 1.00 0.00 H new ATOM 0 HG3 GLU A 79 0.165 24.111 0.486 1.00 0.00 H new ATOM 1207 N LYS A 80 -3.446 23.597 3.914 1.00 0.00 N ATOM 1208 CA LYS A 80 -4.755 23.585 4.547 1.00 0.00 C ATOM 1209 C LYS A 80 -5.585 24.777 4.070 1.00 0.00 C ATOM 1210 O LYS A 80 -6.777 24.650 3.795 1.00 0.00 O ATOM 1211 CB LYS A 80 -4.572 23.641 6.056 1.00 0.00 C ATOM 1212 CG LYS A 80 -3.937 22.331 6.527 1.00 0.00 C ATOM 1213 CD LYS A 80 -3.571 22.455 8.002 1.00 0.00 C ATOM 1214 CE LYS A 80 -3.010 21.126 8.511 1.00 0.00 C ATOM 1215 NZ LYS A 80 -2.630 21.262 9.948 1.00 0.00 N ATOM 0 H LYS A 80 -2.673 23.816 4.542 1.00 0.00 H new ATOM 0 HA LYS A 80 -5.284 22.671 4.276 1.00 0.00 H new ATOM 0 HB2 LYS A 80 -3.939 24.486 6.328 1.00 0.00 H new ATOM 0 HB3 LYS A 80 -5.533 23.792 6.547 1.00 0.00 H new ATOM 0 HG2 LYS A 80 -4.631 21.503 6.380 1.00 0.00 H new ATOM 0 HG3 LYS A 80 -3.048 22.111 5.936 1.00 0.00 H new ATOM 0 HD2 LYS A 80 -2.834 23.247 8.138 1.00 0.00 H new ATOM 0 HD3 LYS A 80 -4.450 22.735 8.582 1.00 0.00 H new ATOM 0 HE2 LYS A 80 -3.753 20.337 8.394 1.00 0.00 H new ATOM 0 HE3 LYS A 80 -2.141 20.836 7.920 1.00 0.00 H new ATOM 0 HZ1 LYS A 80 -2.217 20.368 10.284 1.00 0.00 H new ATOM 0 HZ2 LYS A 80 -1.932 22.026 10.052 1.00 0.00 H new ATOM 0 HZ3 LYS A 80 -3.475 21.486 10.511 1.00 0.00 H new ATOM 1229 N LYS A 81 -4.934 25.936 3.977 1.00 0.00 N ATOM 1230 CA LYS A 81 -5.603 27.158 3.539 1.00 0.00 C ATOM 1231 C LYS A 81 -6.115 27.012 2.107 1.00 0.00 C ATOM 1232 O LYS A 81 -7.217 27.461 1.783 1.00 0.00 O ATOM 1233 CB LYS A 81 -4.630 28.339 3.609 1.00 0.00 C ATOM 1234 CG LYS A 81 -4.282 28.634 5.072 1.00 0.00 C ATOM 1235 CD LYS A 81 -3.305 29.811 5.136 1.00 0.00 C ATOM 1236 CE LYS A 81 -2.995 30.139 6.598 1.00 0.00 C ATOM 1237 NZ LYS A 81 -2.320 28.975 7.238 1.00 0.00 N ATOM 0 H LYS A 81 -3.945 26.053 4.199 1.00 0.00 H new ATOM 0 HA LYS A 81 -6.450 27.338 4.200 1.00 0.00 H new ATOM 0 HB2 LYS A 81 -3.724 28.110 3.048 1.00 0.00 H new ATOM 0 HB3 LYS A 81 -5.077 29.219 3.147 1.00 0.00 H new ATOM 0 HG2 LYS A 81 -5.187 28.868 5.632 1.00 0.00 H new ATOM 0 HG3 LYS A 81 -3.838 27.753 5.536 1.00 0.00 H new ATOM 0 HD2 LYS A 81 -2.386 29.563 4.605 1.00 0.00 H new ATOM 0 HD3 LYS A 81 -3.735 30.681 4.640 1.00 0.00 H new ATOM 0 HE2 LYS A 81 -2.356 31.020 6.656 1.00 0.00 H new ATOM 0 HE3 LYS A 81 -3.915 30.377 7.131 1.00 0.00 H new ATOM 0 HZ1 LYS A 81 -1.498 29.307 7.783 1.00 0.00 H new ATOM 0 HZ2 LYS A 81 -2.987 28.494 7.875 1.00 0.00 H new ATOM 0 HZ3 LYS A 81 -2.003 28.310 6.503 1.00 0.00 H new ATOM 1251 N ASP A 82 -5.311 26.382 1.253 1.00 0.00 N ATOM 1252 CA ASP A 82 -5.679 26.177 -0.148 1.00 0.00 C ATOM 1253 C ASP A 82 -5.265 24.763 -0.596 1.00 0.00 C ATOM 1254 O ASP A 82 -4.079 24.510 -0.810 1.00 0.00 O ATOM 1255 CB ASP A 82 -4.978 27.218 -1.023 1.00 0.00 C ATOM 1256 CG ASP A 82 -3.493 27.281 -0.687 1.00 0.00 C ATOM 1257 OD1 ASP A 82 -3.175 27.326 0.489 1.00 0.00 O ATOM 1258 OD2 ASP A 82 -2.697 27.283 -1.611 1.00 0.00 O ATOM 0 H ASP A 82 -4.398 26.004 1.507 1.00 0.00 H new ATOM 0 HA ASP A 82 -6.759 26.285 -0.253 1.00 0.00 H new ATOM 0 HB2 ASP A 82 -5.109 26.965 -2.075 1.00 0.00 H new ATOM 0 HB3 ASP A 82 -5.434 28.196 -0.871 1.00 0.00 H new ATOM 1263 N PRO A 83 -6.195 23.833 -0.722 1.00 0.00 N ATOM 1264 CA PRO A 83 -5.868 22.434 -1.128 1.00 0.00 C ATOM 1265 C PRO A 83 -5.552 22.307 -2.619 1.00 0.00 C ATOM 1266 O PRO A 83 -5.158 21.238 -3.085 1.00 0.00 O ATOM 1267 CB PRO A 83 -7.125 21.640 -0.747 1.00 0.00 C ATOM 1268 CG PRO A 83 -8.248 22.627 -0.813 1.00 0.00 C ATOM 1269 CD PRO A 83 -7.646 24.002 -0.493 1.00 0.00 C ATOM 0 HA PRO A 83 -4.967 22.069 -0.635 1.00 0.00 H new ATOM 0 HB2 PRO A 83 -7.290 20.810 -1.434 1.00 0.00 H new ATOM 0 HB3 PRO A 83 -7.034 21.214 0.252 1.00 0.00 H new ATOM 0 HG2 PRO A 83 -8.707 22.626 -1.802 1.00 0.00 H new ATOM 0 HG3 PRO A 83 -9.030 22.371 -0.099 1.00 0.00 H new ATOM 0 HD2 PRO A 83 -8.062 24.777 -1.137 1.00 0.00 H new ATOM 0 HD3 PRO A 83 -7.854 24.297 0.536 1.00 0.00 H new ATOM 1277 N LYS A 84 -5.719 23.396 -3.360 1.00 0.00 N ATOM 1278 CA LYS A 84 -5.439 23.377 -4.792 1.00 0.00 C ATOM 1279 C LYS A 84 -3.933 23.402 -5.040 1.00 0.00 C ATOM 1280 O LYS A 84 -3.475 23.194 -6.163 1.00 0.00 O ATOM 1281 CB LYS A 84 -6.083 24.590 -5.469 1.00 0.00 C ATOM 1282 CG LYS A 84 -7.606 24.478 -5.388 1.00 0.00 C ATOM 1283 CD LYS A 84 -8.243 25.701 -6.052 1.00 0.00 C ATOM 1284 CE LYS A 84 -9.767 25.588 -5.979 1.00 0.00 C ATOM 1285 NZ LYS A 84 -10.195 25.619 -4.553 1.00 0.00 N ATOM 0 H LYS A 84 -6.043 24.294 -2.999 1.00 0.00 H new ATOM 0 HA LYS A 84 -5.856 22.462 -5.212 1.00 0.00 H new ATOM 0 HB2 LYS A 84 -5.750 25.508 -4.985 1.00 0.00 H new ATOM 0 HB3 LYS A 84 -5.768 24.647 -6.511 1.00 0.00 H new ATOM 0 HG2 LYS A 84 -7.941 23.566 -5.883 1.00 0.00 H new ATOM 0 HG3 LYS A 84 -7.922 24.410 -4.347 1.00 0.00 H new ATOM 0 HD2 LYS A 84 -7.911 26.612 -5.554 1.00 0.00 H new ATOM 0 HD3 LYS A 84 -7.923 25.771 -7.091 1.00 0.00 H new ATOM 0 HE2 LYS A 84 -10.231 26.408 -6.528 1.00 0.00 H new ATOM 0 HE3 LYS A 84 -10.097 24.662 -6.450 1.00 0.00 H new ATOM 0 HZ1 LYS A 84 -11.208 25.848 -4.499 1.00 0.00 H new ATOM 0 HZ2 LYS A 84 -10.027 24.688 -4.120 1.00 0.00 H new ATOM 0 HZ3 LYS A 84 -9.649 26.342 -4.042 1.00 0.00 H new ATOM 1299 N LYS A 85 -3.168 23.667 -3.979 1.00 0.00 N ATOM 1300 CA LYS A 85 -1.706 23.728 -4.074 1.00 0.00 C ATOM 1301 C LYS A 85 -1.060 22.604 -3.275 1.00 0.00 C ATOM 1302 O LYS A 85 -1.475 22.303 -2.155 1.00 0.00 O ATOM 1303 CB LYS A 85 -1.213 25.072 -3.542 1.00 0.00 C ATOM 1304 CG LYS A 85 0.299 25.182 -3.746 1.00 0.00 C ATOM 1305 CD LYS A 85 0.772 26.564 -3.307 1.00 0.00 C ATOM 1306 CE LYS A 85 2.281 26.676 -3.527 1.00 0.00 C ATOM 1307 NZ LYS A 85 2.743 28.033 -3.122 1.00 0.00 N ATOM 0 H LYS A 85 -3.535 23.843 -3.044 1.00 0.00 H new ATOM 0 HA LYS A 85 -1.427 23.616 -5.122 1.00 0.00 H new ATOM 0 HB2 LYS A 85 -1.720 25.887 -4.059 1.00 0.00 H new ATOM 0 HB3 LYS A 85 -1.455 25.166 -2.483 1.00 0.00 H new ATOM 0 HG2 LYS A 85 0.811 24.411 -3.171 1.00 0.00 H new ATOM 0 HG3 LYS A 85 0.548 25.016 -4.794 1.00 0.00 H new ATOM 0 HD2 LYS A 85 0.252 27.336 -3.874 1.00 0.00 H new ATOM 0 HD3 LYS A 85 0.533 26.726 -2.256 1.00 0.00 H new ATOM 0 HE2 LYS A 85 2.801 25.915 -2.946 1.00 0.00 H new ATOM 0 HE3 LYS A 85 2.521 26.496 -4.575 1.00 0.00 H new ATOM 0 HZ1 LYS A 85 3.769 28.109 -3.272 1.00 0.00 H new ATOM 0 HZ2 LYS A 85 2.255 28.751 -3.695 1.00 0.00 H new ATOM 0 HZ3 LYS A 85 2.527 28.187 -2.116 1.00 0.00 H new ATOM 1321 N THR A 86 -0.033 21.986 -3.858 1.00 0.00 N ATOM 1322 CA THR A 86 0.674 20.895 -3.194 1.00 0.00 C ATOM 1323 C THR A 86 1.746 21.436 -2.250 1.00 0.00 C ATOM 1324 O THR A 86 2.141 22.598 -2.348 1.00 0.00 O ATOM 1325 CB THR A 86 1.327 19.987 -4.241 1.00 0.00 C ATOM 1326 OG1 THR A 86 2.021 20.784 -5.189 1.00 0.00 O ATOM 1327 CG2 THR A 86 0.249 19.168 -4.951 1.00 0.00 C ATOM 0 H THR A 86 0.325 22.222 -4.784 1.00 0.00 H new ATOM 0 HA THR A 86 -0.048 20.324 -2.610 1.00 0.00 H new ATOM 0 HB THR A 86 2.029 19.312 -3.751 1.00 0.00 H new ATOM 0 HG1 THR A 86 2.441 20.205 -5.859 1.00 0.00 H new ATOM 0 HG21 THR A 86 0.714 18.522 -5.696 1.00 0.00 H new ATOM 0 HG22 THR A 86 -0.283 18.557 -4.222 1.00 0.00 H new ATOM 0 HG23 THR A 86 -0.454 19.840 -5.442 1.00 0.00 H new ATOM 1335 N CYS A 87 2.218 20.580 -1.343 1.00 0.00 N ATOM 1336 CA CYS A 87 3.262 20.968 -0.381 1.00 0.00 C ATOM 1337 C CYS A 87 4.624 20.428 -0.823 1.00 0.00 C ATOM 1338 O CYS A 87 4.694 19.510 -1.641 1.00 0.00 O ATOM 1339 CB CYS A 87 2.933 20.402 0.998 1.00 0.00 C ATOM 1340 SG CYS A 87 1.167 20.560 1.296 1.00 0.00 S ATOM 0 H CYS A 87 1.898 19.616 -1.251 1.00 0.00 H new ATOM 0 HA CYS A 87 3.300 22.056 -0.338 1.00 0.00 H new ATOM 0 HB2 CYS A 87 3.231 19.355 1.055 1.00 0.00 H new ATOM 0 HB3 CYS A 87 3.493 20.935 1.766 1.00 0.00 H new ATOM 1345 N SER A 88 5.702 20.987 -0.271 1.00 0.00 N ATOM 1346 CA SER A 88 7.054 20.533 -0.612 1.00 0.00 C ATOM 1347 C SER A 88 7.521 19.483 0.395 1.00 0.00 C ATOM 1348 O SER A 88 7.499 19.716 1.602 1.00 0.00 O ATOM 1349 CB SER A 88 8.024 21.721 -0.614 1.00 0.00 C ATOM 1350 OG SER A 88 7.829 22.479 -1.803 1.00 0.00 O ATOM 0 H SER A 88 5.668 21.748 0.408 1.00 0.00 H new ATOM 0 HA SER A 88 7.036 20.089 -1.607 1.00 0.00 H new ATOM 0 HB2 SER A 88 7.855 22.346 0.263 1.00 0.00 H new ATOM 0 HB3 SER A 88 9.053 21.366 -0.559 1.00 0.00 H new ATOM 0 HG SER A 88 8.445 23.241 -1.810 1.00 0.00 H new ATOM 1356 N VAL A 89 7.944 18.324 -0.112 1.00 0.00 N ATOM 1357 CA VAL A 89 8.411 17.229 0.746 1.00 0.00 C ATOM 1358 C VAL A 89 9.890 16.954 0.476 1.00 0.00 C ATOM 1359 O VAL A 89 10.321 16.940 -0.676 1.00 0.00 O ATOM 1360 CB VAL A 89 7.581 15.975 0.455 1.00 0.00 C ATOM 1361 CG1 VAL A 89 7.814 14.926 1.544 1.00 0.00 C ATOM 1362 CG2 VAL A 89 6.098 16.351 0.408 1.00 0.00 C ATOM 0 H VAL A 89 7.974 18.117 -1.110 1.00 0.00 H new ATOM 0 HA VAL A 89 8.293 17.507 1.793 1.00 0.00 H new ATOM 0 HB VAL A 89 7.884 15.558 -0.505 1.00 0.00 H new ATOM 0 HG11 VAL A 89 7.219 14.039 1.328 1.00 0.00 H new ATOM 0 HG12 VAL A 89 8.870 14.657 1.571 1.00 0.00 H new ATOM 0 HG13 VAL A 89 7.519 15.334 2.511 1.00 0.00 H new ATOM 0 HG21 VAL A 89 5.503 15.461 0.201 1.00 0.00 H new ATOM 0 HG22 VAL A 89 5.799 16.772 1.368 1.00 0.00 H new ATOM 0 HG23 VAL A 89 5.934 17.088 -0.378 1.00 0.00 H new ATOM 1372 N SER A 90 10.662 16.732 1.537 1.00 0.00 N ATOM 1373 CA SER A 90 12.089 16.455 1.392 1.00 0.00 C ATOM 1374 C SER A 90 12.311 15.116 0.696 1.00 0.00 C ATOM 1375 O SER A 90 13.245 14.963 -0.090 1.00 0.00 O ATOM 1376 CB SER A 90 12.756 16.420 2.764 1.00 0.00 C ATOM 1377 OG SER A 90 12.422 17.600 3.483 1.00 0.00 O ATOM 0 H SER A 90 10.327 16.738 2.500 1.00 0.00 H new ATOM 0 HA SER A 90 12.529 17.248 0.787 1.00 0.00 H new ATOM 0 HB2 SER A 90 12.429 15.539 3.317 1.00 0.00 H new ATOM 0 HB3 SER A 90 13.838 16.343 2.653 1.00 0.00 H new ATOM 0 HG SER A 90 11.488 17.552 3.775 1.00 0.00 H new ATOM 1383 N GLU A 91 11.453 14.146 1.002 1.00 0.00 N ATOM 1384 CA GLU A 91 11.586 12.821 0.401 1.00 0.00 C ATOM 1385 C GLU A 91 10.362 11.953 0.681 1.00 0.00 C ATOM 1386 O GLU A 91 9.614 12.199 1.626 1.00 0.00 O ATOM 1387 CB GLU A 91 12.844 12.138 0.948 1.00 0.00 C ATOM 1388 CG GLU A 91 12.676 11.845 2.442 1.00 0.00 C ATOM 1389 CD GLU A 91 13.967 11.261 3.005 1.00 0.00 C ATOM 1390 OE1 GLU A 91 14.853 10.967 2.219 1.00 0.00 O ATOM 1391 OE2 GLU A 91 14.047 11.108 4.213 1.00 0.00 O ATOM 0 H GLU A 91 10.672 14.248 1.650 1.00 0.00 H new ATOM 0 HA GLU A 91 11.668 12.943 -0.679 1.00 0.00 H new ATOM 0 HB2 GLU A 91 13.029 11.210 0.406 1.00 0.00 H new ATOM 0 HB3 GLU A 91 13.712 12.778 0.790 1.00 0.00 H new ATOM 0 HG2 GLU A 91 12.418 12.761 2.974 1.00 0.00 H new ATOM 0 HG3 GLU A 91 11.854 11.146 2.594 1.00 0.00 H new ATOM 1398 N TRP A 92 10.177 10.924 -0.149 1.00 0.00 N ATOM 1399 CA TRP A 92 9.055 9.992 0.000 1.00 0.00 C ATOM 1400 C TRP A 92 9.585 8.589 0.302 1.00 0.00 C ATOM 1401 O TRP A 92 10.635 8.195 -0.203 1.00 0.00 O ATOM 1402 CB TRP A 92 8.242 9.951 -1.297 1.00 0.00 C ATOM 1403 CG TRP A 92 7.578 11.271 -1.514 1.00 0.00 C ATOM 1404 CD1 TRP A 92 8.174 12.369 -2.034 1.00 0.00 C ATOM 1405 CD2 TRP A 92 6.202 11.646 -1.235 1.00 0.00 C ATOM 1406 NE1 TRP A 92 7.249 13.397 -2.086 1.00 0.00 N ATOM 1407 CE2 TRP A 92 6.017 12.999 -1.604 1.00 0.00 C ATOM 1408 CE3 TRP A 92 5.105 10.948 -0.702 1.00 0.00 C ATOM 1409 CZ2 TRP A 92 4.789 13.638 -1.447 1.00 0.00 C ATOM 1410 CZ3 TRP A 92 3.867 11.587 -0.542 1.00 0.00 C ATOM 1411 CH2 TRP A 92 3.709 12.929 -0.916 1.00 0.00 C ATOM 0 H TRP A 92 10.792 10.714 -0.935 1.00 0.00 H new ATOM 0 HA TRP A 92 8.421 10.328 0.820 1.00 0.00 H new ATOM 0 HB2 TRP A 92 8.893 9.717 -2.139 1.00 0.00 H new ATOM 0 HB3 TRP A 92 7.494 9.160 -1.244 1.00 0.00 H new ATOM 0 HD1 TRP A 92 9.203 12.433 -2.356 1.00 0.00 H new ATOM 0 HE1 TRP A 92 7.452 14.333 -2.437 1.00 0.00 H new ATOM 0 HE3 TRP A 92 5.216 9.913 -0.414 1.00 0.00 H new ATOM 0 HZ2 TRP A 92 4.673 14.673 -1.733 1.00 0.00 H new ATOM 0 HZ3 TRP A 92 3.031 11.043 -0.129 1.00 0.00 H new ATOM 0 HH2 TRP A 92 2.752 13.415 -0.794 1.00 0.00 H new ATOM 1422 N ILE A 93 8.852 7.837 1.125 1.00 0.00 N ATOM 1423 CA ILE A 93 9.264 6.474 1.483 1.00 0.00 C ATOM 1424 C ILE A 93 8.424 5.451 0.726 1.00 0.00 C ATOM 1425 O ILE A 93 7.195 5.481 0.777 1.00 0.00 O ATOM 1426 CB ILE A 93 9.091 6.247 2.986 1.00 0.00 C ATOM 1427 CG1 ILE A 93 9.920 7.278 3.758 1.00 0.00 C ATOM 1428 CG2 ILE A 93 9.565 4.839 3.351 1.00 0.00 C ATOM 1429 CD1 ILE A 93 9.542 7.228 5.238 1.00 0.00 C ATOM 0 H ILE A 93 7.978 8.142 1.554 1.00 0.00 H new ATOM 0 HA ILE A 93 10.313 6.353 1.214 1.00 0.00 H new ATOM 0 HB ILE A 93 8.038 6.355 3.248 1.00 0.00 H new ATOM 0 HG12 ILE A 93 10.983 7.071 3.636 1.00 0.00 H new ATOM 0 HG13 ILE A 93 9.742 8.277 3.359 1.00 0.00 H new ATOM 0 HG21 ILE A 93 9.441 4.680 4.422 1.00 0.00 H new ATOM 0 HG22 ILE A 93 8.975 4.103 2.804 1.00 0.00 H new ATOM 0 HG23 ILE A 93 10.617 4.729 3.087 1.00 0.00 H new ATOM 0 HD11 ILE A 93 10.131 7.961 5.789 1.00 0.00 H new ATOM 0 HD12 ILE A 93 8.482 7.456 5.351 1.00 0.00 H new ATOM 0 HD13 ILE A 93 9.743 6.232 5.631 1.00 0.00 H new ATOM 1441 N ILE A 94 9.096 4.549 0.021 1.00 0.00 N ATOM 1442 CA ILE A 94 8.403 3.520 -0.748 1.00 0.00 C ATOM 1443 C ILE A 94 9.346 2.365 -1.072 1.00 0.00 C ATOM 1444 O ILE A 94 8.889 1.233 -1.060 1.00 0.00 O ATOM 1445 CB ILE A 94 7.857 4.129 -2.044 1.00 0.00 C ATOM 1446 CG1 ILE A 94 7.042 3.085 -2.824 1.00 0.00 C ATOM 1447 CG2 ILE A 94 9.024 4.607 -2.908 1.00 0.00 C ATOM 1448 CD1 ILE A 94 5.818 2.638 -2.013 1.00 0.00 C ATOM 1449 OXT ILE A 94 10.510 2.629 -1.327 1.00 0.00 O ATOM 0 H ILE A 94 10.114 4.508 -0.035 1.00 0.00 H new ATOM 0 HA ILE A 94 7.577 3.132 -0.152 1.00 0.00 H new ATOM 0 HB ILE A 94 7.209 4.969 -1.794 1.00 0.00 H new ATOM 0 HG12 ILE A 94 6.720 3.505 -3.777 1.00 0.00 H new ATOM 0 HG13 ILE A 94 7.669 2.223 -3.052 1.00 0.00 H new ATOM 0 HG21 ILE A 94 8.640 5.041 -3.831 1.00 0.00 H new ATOM 0 HG22 ILE A 94 9.595 5.359 -2.364 1.00 0.00 H new ATOM 0 HG23 ILE A 94 9.670 3.762 -3.146 1.00 0.00 H new ATOM 0 HD11 ILE A 94 5.254 1.899 -2.582 1.00 0.00 H new ATOM 0 HD12 ILE A 94 6.146 2.197 -1.072 1.00 0.00 H new ATOM 0 HD13 ILE A 94 5.183 3.500 -1.808 1.00 0.00 H new