USER MOD reduce.3.24.130724 H: found=0, std=0, add=636, rem=0, adj=22 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 59 TYR OH : rot 180:sc= -0.0313 USER MOD Set 1.2: A 61 LYS NZ :NH3+ -163:sc= 1.52 (180deg=0.483) USER MOD Single : A 3 TYR OH : rot 82:sc= 0.361 USER MOD Single : A 7 ASN : amide:sc= -2.16! C(o=-2.2!,f=-4.5!) USER MOD Single : A 19 MET CE :methyl -120:sc= 0 (180deg=-0.235) USER MOD Single : A 22 LYS NZ :NH3+ 139:sc= 0.673 (180deg=-0.442) USER MOD Single : A 24 ASN : amide:sc= -4.31! K(o=-4.3!,f=-0.51) USER MOD Single : A 25 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 26 HIS : no HE2:sc= -15.3! C(o=-15!,f=-17!) USER MOD Single : A 29 ASN : amide:sc= -0.782 K(o=-0.78,f=0.1) USER MOD Single : A 30 SER OG : rot 180:sc= 0 USER MOD Single : A 33 GLN : amide:sc= 0 K(o=0,f=-1.3!) USER MOD Single : A 34 THR OG1 : rot 180:sc= 0.328 USER MOD Single : A 36 ASN : amide:sc= -1.81! C(o=-1.8!,f=-2.7!) USER MOD Single : A 39 THR OG1 : rot 180:sc= -1.16 USER MOD Single : A 41 THR OG1 : rot 180:sc= -0.523 USER MOD Single : A 43 TYR OH : rot 180:sc= 0 USER MOD Single : A 45 THR OG1 : rot 180:sc= -0.129 USER MOD Single : A 48 SER OG : rot 97:sc= 1.13 USER MOD Single : A 51 THR OG1 : rot 140:sc= -1.43 USER MOD Single : A 54 SER OG : rot 109:sc= 0.335 USER MOD Single : A 55 THR OG1 : rot 180:sc= 0 USER MOD Single : A 63 ASN : amide:sc= -0.754 K(o=-0.75,f=0) USER MOD Single : A 65 GLN : amide:sc= -1.34 K(o=-1.3,f=-1.9) USER MOD Single : A 69 LYS NZ :NH3+ -168:sc= -2.37! (180deg=-2.87!) USER MOD Single : A 70 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 74 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 75 TYR OH : rot 96:sc= 0.031 USER MOD Single : A 80 LYS NZ :NH3+ -177:sc= -2.42 (180deg=-2.51) USER MOD Single : A 81 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 84 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 85 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 86 THR OG1 : rot 180:sc= 0 USER MOD Single : A 88 SER OG : rot 180:sc= 0 USER MOD Single : A 90 SER OG : rot 180:sc= 0 USER MOD ----------------------------------------------------------------- ATOM 12 N CYS A 2 6.630 -1.596 3.290 1.00 0.00 N ATOM 13 CA CYS A 2 6.172 -2.963 3.064 1.00 0.00 C ATOM 14 C CYS A 2 6.093 -3.739 4.381 1.00 0.00 C ATOM 15 O CYS A 2 6.676 -3.335 5.387 1.00 0.00 O ATOM 16 CB CYS A 2 7.143 -3.680 2.124 1.00 0.00 C ATOM 17 SG CYS A 2 7.178 -2.839 0.520 1.00 0.00 S ATOM 0 HA CYS A 2 5.178 -2.920 2.620 1.00 0.00 H new ATOM 0 HB2 CYS A 2 8.142 -3.694 2.560 1.00 0.00 H new ATOM 0 HB3 CYS A 2 6.838 -4.718 1.994 1.00 0.00 H new ATOM 22 N TYR A 3 5.376 -4.864 4.359 1.00 0.00 N ATOM 23 CA TYR A 3 5.228 -5.709 5.550 1.00 0.00 C ATOM 24 C TYR A 3 5.256 -7.186 5.161 1.00 0.00 C ATOM 25 O TYR A 3 5.054 -7.532 3.996 1.00 0.00 O ATOM 26 CB TYR A 3 3.919 -5.383 6.270 1.00 0.00 C ATOM 27 CG TYR A 3 2.757 -5.613 5.339 1.00 0.00 C ATOM 28 CD1 TYR A 3 2.352 -4.600 4.465 1.00 0.00 C ATOM 29 CD2 TYR A 3 2.083 -6.840 5.352 1.00 0.00 C ATOM 30 CE1 TYR A 3 1.272 -4.812 3.601 1.00 0.00 C ATOM 31 CE2 TYR A 3 1.002 -7.052 4.490 1.00 0.00 C ATOM 32 CZ TYR A 3 0.595 -6.037 3.615 1.00 0.00 C ATOM 33 OH TYR A 3 -0.468 -6.247 2.761 1.00 0.00 O ATOM 0 H TYR A 3 4.889 -5.212 3.533 1.00 0.00 H new ATOM 0 HA TYR A 3 6.061 -5.508 6.223 1.00 0.00 H new ATOM 0 HB2 TYR A 3 3.816 -6.007 7.158 1.00 0.00 H new ATOM 0 HB3 TYR A 3 3.927 -4.347 6.608 1.00 0.00 H new ATOM 0 HD1 TYR A 3 2.873 -3.654 4.457 1.00 0.00 H new ATOM 0 HD2 TYR A 3 2.397 -7.622 6.027 1.00 0.00 H new ATOM 0 HE1 TYR A 3 0.961 -4.031 2.923 1.00 0.00 H new ATOM 0 HE2 TYR A 3 0.481 -7.998 4.499 1.00 0.00 H new ATOM 0 HH TYR A 3 -0.132 -6.508 1.878 1.00 0.00 H new ATOM 43 N PHE A 4 5.536 -8.051 6.138 1.00 0.00 N ATOM 44 CA PHE A 4 5.627 -9.496 5.887 1.00 0.00 C ATOM 45 C PHE A 4 4.570 -10.286 6.653 1.00 0.00 C ATOM 46 O PHE A 4 4.413 -10.134 7.864 1.00 0.00 O ATOM 47 CB PHE A 4 7.005 -9.995 6.318 1.00 0.00 C ATOM 48 CG PHE A 4 8.055 -9.477 5.366 1.00 0.00 C ATOM 49 CD1 PHE A 4 8.250 -10.107 4.132 1.00 0.00 C ATOM 50 CD2 PHE A 4 8.836 -8.370 5.719 1.00 0.00 C ATOM 51 CE1 PHE A 4 9.226 -9.631 3.251 1.00 0.00 C ATOM 52 CE2 PHE A 4 9.812 -7.894 4.838 1.00 0.00 C ATOM 53 CZ PHE A 4 10.007 -8.524 3.602 1.00 0.00 C ATOM 0 H PHE A 4 5.703 -7.780 7.107 1.00 0.00 H new ATOM 0 HA PHE A 4 5.462 -9.651 4.821 1.00 0.00 H new ATOM 0 HB2 PHE A 4 7.223 -9.660 7.332 1.00 0.00 H new ATOM 0 HB3 PHE A 4 7.019 -11.085 6.332 1.00 0.00 H new ATOM 0 HD1 PHE A 4 7.647 -10.961 3.860 1.00 0.00 H new ATOM 0 HD2 PHE A 4 8.685 -7.884 6.671 1.00 0.00 H new ATOM 0 HE1 PHE A 4 9.377 -10.118 2.299 1.00 0.00 H new ATOM 0 HE2 PHE A 4 10.415 -7.041 5.110 1.00 0.00 H new ATOM 0 HZ PHE A 4 10.760 -8.156 2.920 1.00 0.00 H new ATOM 63 N ILE A 5 3.873 -11.163 5.929 1.00 0.00 N ATOM 64 CA ILE A 5 2.849 -12.026 6.514 1.00 0.00 C ATOM 65 C ILE A 5 3.291 -13.493 6.368 1.00 0.00 C ATOM 66 O ILE A 5 3.416 -13.980 5.245 1.00 0.00 O ATOM 67 CB ILE A 5 1.519 -11.815 5.772 1.00 0.00 C ATOM 68 CG1 ILE A 5 0.859 -10.497 6.231 1.00 0.00 C ATOM 69 CG2 ILE A 5 0.569 -12.992 6.034 1.00 0.00 C ATOM 70 CD1 ILE A 5 0.025 -10.719 7.488 1.00 0.00 C ATOM 0 H ILE A 5 4.002 -11.294 4.926 1.00 0.00 H new ATOM 0 HA ILE A 5 2.717 -11.783 7.568 1.00 0.00 H new ATOM 0 HB ILE A 5 1.723 -11.758 4.703 1.00 0.00 H new ATOM 0 HG12 ILE A 5 1.627 -9.749 6.426 1.00 0.00 H new ATOM 0 HG13 ILE A 5 0.227 -10.105 5.434 1.00 0.00 H new ATOM 0 HG21 ILE A 5 -0.368 -12.828 5.502 1.00 0.00 H new ATOM 0 HG22 ILE A 5 1.029 -13.916 5.683 1.00 0.00 H new ATOM 0 HG23 ILE A 5 0.371 -13.069 7.103 1.00 0.00 H new ATOM 0 HD11 ILE A 5 -0.431 -9.777 7.793 1.00 0.00 H new ATOM 0 HD12 ILE A 5 -0.757 -11.450 7.282 1.00 0.00 H new ATOM 0 HD13 ILE A 5 0.665 -11.089 8.289 1.00 0.00 H new ATOM 82 N PRO A 6 3.540 -14.213 7.441 1.00 0.00 N ATOM 83 CA PRO A 6 3.973 -15.635 7.328 1.00 0.00 C ATOM 84 C PRO A 6 2.836 -16.557 6.897 1.00 0.00 C ATOM 85 O PRO A 6 1.713 -16.446 7.381 1.00 0.00 O ATOM 86 CB PRO A 6 4.476 -15.984 8.739 1.00 0.00 C ATOM 87 CG PRO A 6 3.756 -15.046 9.663 1.00 0.00 C ATOM 88 CD PRO A 6 3.437 -13.782 8.852 1.00 0.00 C ATOM 0 HA PRO A 6 4.737 -15.767 6.562 1.00 0.00 H new ATOM 0 HB2 PRO A 6 4.260 -17.023 8.987 1.00 0.00 H new ATOM 0 HB3 PRO A 6 5.556 -15.857 8.814 1.00 0.00 H new ATOM 0 HG2 PRO A 6 2.842 -15.503 10.042 1.00 0.00 H new ATOM 0 HG3 PRO A 6 4.374 -14.805 10.528 1.00 0.00 H new ATOM 0 HD2 PRO A 6 2.440 -13.405 9.080 1.00 0.00 H new ATOM 0 HD3 PRO A 6 4.140 -12.979 9.074 1.00 0.00 H new ATOM 96 N ASN A 7 3.149 -17.479 5.994 1.00 0.00 N ATOM 97 CA ASN A 7 2.155 -18.425 5.512 1.00 0.00 C ATOM 98 C ASN A 7 1.588 -19.201 6.687 1.00 0.00 C ATOM 99 O ASN A 7 0.386 -19.450 6.759 1.00 0.00 O ATOM 100 CB ASN A 7 2.796 -19.395 4.512 1.00 0.00 C ATOM 101 CG ASN A 7 1.770 -20.412 4.029 1.00 0.00 C ATOM 102 OD1 ASN A 7 0.709 -20.564 4.632 1.00 0.00 O ATOM 103 ND2 ASN A 7 2.029 -21.122 2.967 1.00 0.00 N ATOM 0 H ASN A 7 4.077 -17.590 5.585 1.00 0.00 H new ATOM 0 HA ASN A 7 1.353 -17.882 5.012 1.00 0.00 H new ATOM 0 HB2 ASN A 7 3.196 -18.841 3.663 1.00 0.00 H new ATOM 0 HB3 ASN A 7 3.635 -19.909 4.981 1.00 0.00 H new ATOM 0 HD21 ASN A 7 1.351 -21.807 2.633 1.00 0.00 H new ATOM 0 HD22 ASN A 7 2.910 -20.993 2.470 1.00 0.00 H new ATOM 252 N CYS A 18 -2.258 -18.319 2.037 1.00 0.00 N ATOM 253 CA CYS A 18 -2.007 -17.833 0.677 1.00 0.00 C ATOM 254 C CYS A 18 -3.296 -17.817 -0.144 1.00 0.00 C ATOM 255 O CYS A 18 -3.422 -18.509 -1.154 1.00 0.00 O ATOM 256 CB CYS A 18 -0.943 -18.704 0.001 1.00 0.00 C ATOM 257 SG CYS A 18 -0.838 -18.318 -1.765 1.00 0.00 S ATOM 0 HA CYS A 18 -1.638 -16.809 0.735 1.00 0.00 H new ATOM 0 HB2 CYS A 18 0.025 -18.539 0.474 1.00 0.00 H new ATOM 0 HB3 CYS A 18 -1.188 -19.758 0.135 1.00 0.00 H new ATOM 262 N MET A 19 -4.254 -17.010 0.300 1.00 0.00 N ATOM 263 CA MET A 19 -5.535 -16.890 -0.392 1.00 0.00 C ATOM 264 C MET A 19 -6.054 -15.464 -0.264 1.00 0.00 C ATOM 265 O MET A 19 -6.183 -14.940 0.841 1.00 0.00 O ATOM 266 CB MET A 19 -6.548 -17.874 0.202 1.00 0.00 C ATOM 267 CG MET A 19 -7.778 -17.959 -0.704 1.00 0.00 C ATOM 268 SD MET A 19 -8.916 -19.213 -0.061 1.00 0.00 S ATOM 269 CE MET A 19 -10.126 -19.155 -1.406 1.00 0.00 C ATOM 0 H MET A 19 -4.169 -16.430 1.134 1.00 0.00 H new ATOM 0 HA MET A 19 -5.395 -17.126 -1.447 1.00 0.00 H new ATOM 0 HB2 MET A 19 -6.094 -18.859 0.307 1.00 0.00 H new ATOM 0 HB3 MET A 19 -6.842 -17.550 1.200 1.00 0.00 H new ATOM 0 HG2 MET A 19 -8.276 -16.991 -0.751 1.00 0.00 H new ATOM 0 HG3 MET A 19 -7.477 -18.212 -1.721 1.00 0.00 H new ATOM 0 HE1 MET A 19 -11.100 -18.872 -1.007 1.00 0.00 H new ATOM 0 HE2 MET A 19 -9.811 -18.421 -2.148 1.00 0.00 H new ATOM 0 HE3 MET A 19 -10.197 -20.137 -1.874 1.00 0.00 H new ATOM 279 N ASP A 20 -6.337 -14.837 -1.397 1.00 0.00 N ATOM 280 CA ASP A 20 -6.825 -13.465 -1.391 1.00 0.00 C ATOM 281 C ASP A 20 -8.100 -13.353 -0.562 1.00 0.00 C ATOM 282 O ASP A 20 -8.918 -14.272 -0.528 1.00 0.00 O ATOM 283 CB ASP A 20 -7.096 -12.998 -2.820 1.00 0.00 C ATOM 284 CG ASP A 20 -7.374 -11.498 -2.833 1.00 0.00 C ATOM 285 OD1 ASP A 20 -7.449 -10.920 -1.762 1.00 0.00 O ATOM 286 OD2 ASP A 20 -7.508 -10.952 -3.915 1.00 0.00 O ATOM 0 H ASP A 20 -6.238 -15.251 -2.324 1.00 0.00 H new ATOM 0 HA ASP A 20 -6.060 -12.830 -0.944 1.00 0.00 H new ATOM 0 HB2 ASP A 20 -6.238 -13.223 -3.454 1.00 0.00 H new ATOM 0 HB3 ASP A 20 -7.948 -13.538 -3.233 1.00 0.00 H new ATOM 291 N LEU A 21 -8.249 -12.220 0.114 1.00 0.00 N ATOM 292 CA LEU A 21 -9.410 -11.979 0.964 1.00 0.00 C ATOM 293 C LEU A 21 -10.705 -12.002 0.152 1.00 0.00 C ATOM 294 O LEU A 21 -11.783 -12.235 0.699 1.00 0.00 O ATOM 295 CB LEU A 21 -9.263 -10.623 1.667 1.00 0.00 C ATOM 296 CG LEU A 21 -8.049 -10.657 2.613 1.00 0.00 C ATOM 297 CD1 LEU A 21 -7.771 -9.246 3.138 1.00 0.00 C ATOM 298 CD2 LEU A 21 -8.311 -11.613 3.795 1.00 0.00 C ATOM 0 H LEU A 21 -7.579 -11.452 0.090 1.00 0.00 H new ATOM 0 HA LEU A 21 -9.460 -12.776 1.706 1.00 0.00 H new ATOM 0 HB2 LEU A 21 -9.138 -9.831 0.928 1.00 0.00 H new ATOM 0 HB3 LEU A 21 -10.168 -10.394 2.230 1.00 0.00 H new ATOM 0 HG LEU A 21 -7.182 -11.019 2.061 1.00 0.00 H new ATOM 0 HD11 LEU A 21 -6.911 -9.270 3.808 1.00 0.00 H new ATOM 0 HD12 LEU A 21 -7.560 -8.581 2.300 1.00 0.00 H new ATOM 0 HD13 LEU A 21 -8.643 -8.881 3.680 1.00 0.00 H new ATOM 0 HD21 LEU A 21 -7.442 -11.624 4.453 1.00 0.00 H new ATOM 0 HD22 LEU A 21 -9.184 -11.272 4.352 1.00 0.00 H new ATOM 0 HD23 LEU A 21 -8.492 -12.619 3.416 1.00 0.00 H new ATOM 310 N LYS A 22 -10.596 -11.768 -1.151 1.00 0.00 N ATOM 311 CA LYS A 22 -11.774 -11.774 -2.013 1.00 0.00 C ATOM 312 C LYS A 22 -12.269 -13.202 -2.213 1.00 0.00 C ATOM 313 O LYS A 22 -13.395 -13.420 -2.663 1.00 0.00 O ATOM 314 CB LYS A 22 -11.430 -11.165 -3.379 1.00 0.00 C ATOM 315 CG LYS A 22 -10.736 -9.806 -3.211 1.00 0.00 C ATOM 316 CD LYS A 22 -11.708 -8.771 -2.635 1.00 0.00 C ATOM 317 CE LYS A 22 -11.029 -7.402 -2.594 1.00 0.00 C ATOM 318 NZ LYS A 22 -12.003 -6.388 -2.103 1.00 0.00 N ATOM 0 H LYS A 22 -9.716 -11.574 -1.630 1.00 0.00 H new ATOM 0 HA LYS A 22 -12.555 -11.182 -1.537 1.00 0.00 H new ATOM 0 HB2 LYS A 22 -10.781 -11.844 -3.932 1.00 0.00 H new ATOM 0 HB3 LYS A 22 -12.339 -11.044 -3.968 1.00 0.00 H new ATOM 0 HG2 LYS A 22 -9.875 -9.911 -2.551 1.00 0.00 H new ATOM 0 HG3 LYS A 22 -10.359 -9.462 -4.174 1.00 0.00 H new ATOM 0 HD2 LYS A 22 -12.610 -8.724 -3.246 1.00 0.00 H new ATOM 0 HD3 LYS A 22 -12.018 -9.066 -1.632 1.00 0.00 H new ATOM 0 HE2 LYS A 22 -10.158 -7.434 -1.940 1.00 0.00 H new ATOM 0 HE3 LYS A 22 -10.672 -7.130 -3.587 1.00 0.00 H new ATOM 0 HZ1 LYS A 22 -11.525 -5.737 -1.448 1.00 0.00 H new ATOM 0 HZ2 LYS A 22 -12.382 -5.852 -2.909 1.00 0.00 H new ATOM 0 HZ3 LYS A 22 -12.783 -6.867 -1.609 1.00 0.00 H new ATOM 332 N GLY A 23 -11.418 -14.177 -1.887 1.00 0.00 N ATOM 333 CA GLY A 23 -11.767 -15.589 -2.048 1.00 0.00 C ATOM 334 C GLY A 23 -11.119 -16.143 -3.313 1.00 0.00 C ATOM 335 O GLY A 23 -11.524 -17.181 -3.835 1.00 0.00 O ATOM 0 H GLY A 23 -10.484 -14.015 -1.511 1.00 0.00 H new ATOM 0 HA2 GLY A 23 -11.433 -16.156 -1.179 1.00 0.00 H new ATOM 0 HA3 GLY A 23 -12.850 -15.701 -2.105 1.00 0.00 H new ATOM 339 N ASN A 24 -10.110 -15.419 -3.802 1.00 0.00 N ATOM 340 CA ASN A 24 -9.388 -15.802 -5.012 1.00 0.00 C ATOM 341 C ASN A 24 -8.021 -16.386 -4.670 1.00 0.00 C ATOM 342 O ASN A 24 -7.107 -15.666 -4.265 1.00 0.00 O ATOM 343 CB ASN A 24 -9.219 -14.575 -5.910 1.00 0.00 C ATOM 344 CG ASN A 24 -8.586 -14.987 -7.230 1.00 0.00 C ATOM 345 OD1 ASN A 24 -8.353 -14.149 -8.101 1.00 0.00 O ATOM 346 ND2 ASN A 24 -8.290 -16.238 -7.424 1.00 0.00 N ATOM 0 H ASN A 24 -9.774 -14.557 -3.372 1.00 0.00 H new ATOM 0 HA ASN A 24 -9.963 -16.567 -5.535 1.00 0.00 H new ATOM 0 HB2 ASN A 24 -10.188 -14.109 -6.090 1.00 0.00 H new ATOM 0 HB3 ASN A 24 -8.595 -13.832 -5.413 1.00 0.00 H new ATOM 0 HD21 ASN A 24 -7.862 -16.530 -8.302 1.00 0.00 H new ATOM 0 HD22 ASN A 24 -8.486 -16.927 -6.698 1.00 0.00 H new ATOM 353 N LYS A 25 -7.889 -17.697 -4.843 1.00 0.00 N ATOM 354 CA LYS A 25 -6.632 -18.379 -4.563 1.00 0.00 C ATOM 355 C LYS A 25 -5.677 -18.215 -5.739 1.00 0.00 C ATOM 356 O LYS A 25 -6.094 -18.271 -6.897 1.00 0.00 O ATOM 357 CB LYS A 25 -6.892 -19.867 -4.322 1.00 0.00 C ATOM 358 CG LYS A 25 -5.590 -20.558 -3.897 1.00 0.00 C ATOM 359 CD LYS A 25 -5.827 -22.063 -3.714 1.00 0.00 C ATOM 360 CE LYS A 25 -6.547 -22.336 -2.387 1.00 0.00 C ATOM 361 NZ LYS A 25 -6.551 -23.801 -2.121 1.00 0.00 N ATOM 0 H LYS A 25 -8.636 -18.307 -5.175 1.00 0.00 H new ATOM 0 HA LYS A 25 -6.183 -17.940 -3.672 1.00 0.00 H new ATOM 0 HB2 LYS A 25 -7.651 -19.993 -3.549 1.00 0.00 H new ATOM 0 HB3 LYS A 25 -7.281 -20.330 -5.229 1.00 0.00 H new ATOM 0 HG2 LYS A 25 -4.819 -20.392 -4.649 1.00 0.00 H new ATOM 0 HG3 LYS A 25 -5.226 -20.124 -2.966 1.00 0.00 H new ATOM 0 HD2 LYS A 25 -6.422 -22.447 -4.543 1.00 0.00 H new ATOM 0 HD3 LYS A 25 -4.874 -22.592 -3.733 1.00 0.00 H new ATOM 0 HE2 LYS A 25 -6.048 -21.809 -1.574 1.00 0.00 H new ATOM 0 HE3 LYS A 25 -7.569 -21.960 -2.431 1.00 0.00 H new ATOM 0 HZ1 LYS A 25 -7.039 -23.989 -1.222 1.00 0.00 H new ATOM 0 HZ2 LYS A 25 -7.046 -24.293 -2.893 1.00 0.00 H new ATOM 0 HZ3 LYS A 25 -5.572 -24.146 -2.063 1.00 0.00 H new ATOM 375 N HIS A 26 -4.391 -18.015 -5.441 1.00 0.00 N ATOM 376 CA HIS A 26 -3.373 -17.841 -6.485 1.00 0.00 C ATOM 377 C HIS A 26 -2.206 -18.820 -6.257 1.00 0.00 C ATOM 378 O HIS A 26 -1.832 -19.081 -5.113 1.00 0.00 O ATOM 379 CB HIS A 26 -2.853 -16.389 -6.463 1.00 0.00 C ATOM 380 CG HIS A 26 -2.907 -15.856 -5.057 1.00 0.00 C ATOM 381 ND1 HIS A 26 -2.152 -16.395 -4.029 1.00 0.00 N ATOM 382 CD2 HIS A 26 -3.630 -14.835 -4.495 1.00 0.00 C ATOM 383 CE1 HIS A 26 -2.437 -15.702 -2.911 1.00 0.00 C ATOM 384 NE2 HIS A 26 -3.333 -14.740 -3.142 1.00 0.00 N ATOM 0 H HIS A 26 -4.029 -17.969 -4.489 1.00 0.00 H new ATOM 0 HA HIS A 26 -3.820 -18.049 -7.457 1.00 0.00 H new ATOM 0 HB2 HIS A 26 -1.830 -16.352 -6.838 1.00 0.00 H new ATOM 0 HB3 HIS A 26 -3.457 -15.766 -7.123 1.00 0.00 H new ATOM 0 HD1 HIS A 26 -1.499 -17.175 -4.105 1.00 0.00 H new ATOM 0 HD2 HIS A 26 -4.325 -14.201 -5.025 1.00 0.00 H new ATOM 0 HE1 HIS A 26 -1.995 -15.900 -1.946 1.00 0.00 H new ATOM 393 N PRO A 27 -1.616 -19.358 -7.307 1.00 0.00 N ATOM 394 CA PRO A 27 -0.471 -20.308 -7.178 1.00 0.00 C ATOM 395 C PRO A 27 0.828 -19.577 -6.844 1.00 0.00 C ATOM 396 O PRO A 27 0.852 -18.348 -6.770 1.00 0.00 O ATOM 397 CB PRO A 27 -0.403 -20.964 -8.561 1.00 0.00 C ATOM 398 CG PRO A 27 -0.896 -19.911 -9.499 1.00 0.00 C ATOM 399 CD PRO A 27 -1.964 -19.130 -8.728 1.00 0.00 C ATOM 0 HA PRO A 27 -0.605 -21.028 -6.370 1.00 0.00 H new ATOM 0 HB2 PRO A 27 0.614 -21.269 -8.806 1.00 0.00 H new ATOM 0 HB3 PRO A 27 -1.024 -21.859 -8.607 1.00 0.00 H new ATOM 0 HG2 PRO A 27 -0.083 -19.256 -9.813 1.00 0.00 H new ATOM 0 HG3 PRO A 27 -1.313 -20.356 -10.402 1.00 0.00 H new ATOM 0 HD2 PRO A 27 -1.943 -18.070 -8.979 1.00 0.00 H new ATOM 0 HD3 PRO A 27 -2.966 -19.492 -8.957 1.00 0.00 H new ATOM 407 N ILE A 28 1.906 -20.328 -6.658 1.00 0.00 N ATOM 408 CA ILE A 28 3.192 -19.715 -6.351 1.00 0.00 C ATOM 409 C ILE A 28 3.710 -18.969 -7.575 1.00 0.00 C ATOM 410 O ILE A 28 3.462 -19.378 -8.708 1.00 0.00 O ATOM 411 CB ILE A 28 4.216 -20.777 -5.937 1.00 0.00 C ATOM 412 CG1 ILE A 28 3.703 -21.563 -4.718 1.00 0.00 C ATOM 413 CG2 ILE A 28 5.551 -20.102 -5.599 1.00 0.00 C ATOM 414 CD1 ILE A 28 3.395 -20.624 -3.541 1.00 0.00 C ATOM 0 H ILE A 28 1.917 -21.346 -6.713 1.00 0.00 H new ATOM 0 HA ILE A 28 3.052 -19.020 -5.523 1.00 0.00 H new ATOM 0 HB ILE A 28 4.362 -21.471 -6.765 1.00 0.00 H new ATOM 0 HG12 ILE A 28 2.804 -22.116 -4.990 1.00 0.00 H new ATOM 0 HG13 ILE A 28 4.449 -22.297 -4.415 1.00 0.00 H new ATOM 0 HG21 ILE A 28 6.278 -20.859 -5.305 1.00 0.00 H new ATOM 0 HG22 ILE A 28 5.919 -19.566 -6.474 1.00 0.00 H new ATOM 0 HG23 ILE A 28 5.406 -19.400 -4.778 1.00 0.00 H new ATOM 0 HD11 ILE A 28 3.034 -21.208 -2.694 1.00 0.00 H new ATOM 0 HD12 ILE A 28 4.301 -20.091 -3.254 1.00 0.00 H new ATOM 0 HD13 ILE A 28 2.630 -19.906 -3.839 1.00 0.00 H new ATOM 426 N ASN A 29 4.420 -17.874 -7.333 1.00 0.00 N ATOM 427 CA ASN A 29 4.982 -17.056 -8.410 1.00 0.00 C ATOM 428 C ASN A 29 3.919 -16.165 -9.049 1.00 0.00 C ATOM 429 O ASN A 29 4.231 -15.337 -9.906 1.00 0.00 O ATOM 430 CB ASN A 29 5.625 -17.943 -9.487 1.00 0.00 C ATOM 431 CG ASN A 29 6.646 -17.137 -10.284 1.00 0.00 C ATOM 432 OD1 ASN A 29 6.277 -16.255 -11.057 1.00 0.00 O ATOM 433 ND2 ASN A 29 7.917 -17.389 -10.138 1.00 0.00 N ATOM 0 H ASN A 29 4.623 -17.527 -6.396 1.00 0.00 H new ATOM 0 HA ASN A 29 5.746 -16.418 -7.966 1.00 0.00 H new ATOM 0 HB2 ASN A 29 6.110 -18.801 -9.022 1.00 0.00 H new ATOM 0 HB3 ASN A 29 4.857 -18.334 -10.154 1.00 0.00 H new ATOM 0 HD21 ASN A 29 8.607 -16.854 -10.666 1.00 0.00 H new ATOM 0 HD22 ASN A 29 8.221 -18.121 -9.496 1.00 0.00 H new ATOM 440 N SER A 30 2.670 -16.317 -8.618 1.00 0.00 N ATOM 441 CA SER A 30 1.581 -15.494 -9.149 1.00 0.00 C ATOM 442 C SER A 30 1.280 -14.359 -8.183 1.00 0.00 C ATOM 443 O SER A 30 1.079 -14.587 -6.990 1.00 0.00 O ATOM 444 CB SER A 30 0.320 -16.334 -9.353 1.00 0.00 C ATOM 445 OG SER A 30 -0.767 -15.473 -9.673 1.00 0.00 O ATOM 0 H SER A 30 2.386 -16.994 -7.910 1.00 0.00 H new ATOM 0 HA SER A 30 1.892 -15.088 -10.111 1.00 0.00 H new ATOM 0 HB2 SER A 30 0.475 -17.057 -10.154 1.00 0.00 H new ATOM 0 HB3 SER A 30 0.096 -16.902 -8.450 1.00 0.00 H new ATOM 0 HG SER A 30 -1.578 -16.006 -9.807 1.00 0.00 H new ATOM 451 N GLU A 31 1.253 -13.137 -8.701 1.00 0.00 N ATOM 452 CA GLU A 31 0.976 -11.964 -7.875 1.00 0.00 C ATOM 453 C GLU A 31 -0.442 -11.474 -8.134 1.00 0.00 C ATOM 454 O GLU A 31 -0.925 -11.522 -9.266 1.00 0.00 O ATOM 455 CB GLU A 31 1.968 -10.846 -8.204 1.00 0.00 C ATOM 456 CG GLU A 31 3.384 -11.305 -7.862 1.00 0.00 C ATOM 457 CD GLU A 31 4.388 -10.205 -8.191 1.00 0.00 C ATOM 458 OE1 GLU A 31 3.964 -9.172 -8.685 1.00 0.00 O ATOM 459 OE2 GLU A 31 5.564 -10.409 -7.944 1.00 0.00 O ATOM 0 H GLU A 31 1.419 -12.931 -9.686 1.00 0.00 H new ATOM 0 HA GLU A 31 1.079 -12.240 -6.825 1.00 0.00 H new ATOM 0 HB2 GLU A 31 1.903 -10.587 -9.261 1.00 0.00 H new ATOM 0 HB3 GLU A 31 1.719 -9.947 -7.640 1.00 0.00 H new ATOM 0 HG2 GLU A 31 3.446 -11.560 -6.804 1.00 0.00 H new ATOM 0 HG3 GLU A 31 3.627 -12.208 -8.422 1.00 0.00 H new ATOM 466 N TRP A 32 -1.109 -11.007 -7.082 1.00 0.00 N ATOM 467 CA TRP A 32 -2.483 -10.511 -7.206 1.00 0.00 C ATOM 468 C TRP A 32 -2.613 -9.135 -6.568 1.00 0.00 C ATOM 469 O TRP A 32 -1.998 -8.854 -5.539 1.00 0.00 O ATOM 470 CB TRP A 32 -3.445 -11.482 -6.524 1.00 0.00 C ATOM 471 CG TRP A 32 -3.069 -11.634 -5.082 1.00 0.00 C ATOM 472 CD1 TRP A 32 -3.676 -11.001 -4.054 1.00 0.00 C ATOM 473 CD2 TRP A 32 -2.020 -12.457 -4.493 1.00 0.00 C ATOM 474 NE1 TRP A 32 -3.068 -11.384 -2.870 1.00 0.00 N ATOM 475 CE2 TRP A 32 -2.043 -12.286 -3.087 1.00 0.00 C ATOM 476 CE3 TRP A 32 -1.066 -13.329 -5.038 1.00 0.00 C ATOM 477 CZ2 TRP A 32 -1.145 -12.960 -2.251 1.00 0.00 C ATOM 478 CZ3 TRP A 32 -0.162 -14.007 -4.204 1.00 0.00 C ATOM 479 CH2 TRP A 32 -0.205 -13.823 -2.808 1.00 0.00 C ATOM 0 H TRP A 32 -0.726 -10.960 -6.138 1.00 0.00 H new ATOM 0 HA TRP A 32 -2.730 -10.433 -8.265 1.00 0.00 H new ATOM 0 HB2 TRP A 32 -4.468 -11.114 -6.607 1.00 0.00 H new ATOM 0 HB3 TRP A 32 -3.413 -12.451 -7.022 1.00 0.00 H new ATOM 0 HD1 TRP A 32 -4.501 -10.309 -4.141 1.00 0.00 H new ATOM 0 HE1 TRP A 32 -3.343 -11.042 -1.949 1.00 0.00 H new ATOM 0 HE3 TRP A 32 -1.026 -13.480 -6.107 1.00 0.00 H new ATOM 0 HZ2 TRP A 32 -1.181 -12.812 -1.182 1.00 0.00 H new ATOM 0 HZ3 TRP A 32 0.570 -14.673 -4.635 1.00 0.00 H new ATOM 0 HH2 TRP A 32 0.490 -14.350 -2.171 1.00 0.00 H new ATOM 490 N GLN A 33 -3.422 -8.277 -7.190 1.00 0.00 N ATOM 491 CA GLN A 33 -3.640 -6.920 -6.687 1.00 0.00 C ATOM 492 C GLN A 33 -5.006 -6.817 -6.019 1.00 0.00 C ATOM 493 O GLN A 33 -5.985 -7.394 -6.491 1.00 0.00 O ATOM 494 CB GLN A 33 -3.561 -5.916 -7.839 1.00 0.00 C ATOM 495 CG GLN A 33 -2.142 -5.899 -8.409 1.00 0.00 C ATOM 496 CD GLN A 33 -2.052 -4.890 -9.549 1.00 0.00 C ATOM 497 OE1 GLN A 33 -3.025 -4.194 -9.840 1.00 0.00 O ATOM 498 NE2 GLN A 33 -0.935 -4.766 -10.212 1.00 0.00 N ATOM 0 H GLN A 33 -3.937 -8.497 -8.042 1.00 0.00 H new ATOM 0 HA GLN A 33 -2.866 -6.693 -5.954 1.00 0.00 H new ATOM 0 HB2 GLN A 33 -4.274 -6.185 -8.619 1.00 0.00 H new ATOM 0 HB3 GLN A 33 -3.834 -4.921 -7.487 1.00 0.00 H new ATOM 0 HG2 GLN A 33 -1.429 -5.640 -7.626 1.00 0.00 H new ATOM 0 HG3 GLN A 33 -1.873 -6.892 -8.769 1.00 0.00 H new ATOM 0 HE21 GLN A 33 -0.131 -5.344 -9.969 1.00 0.00 H new ATOM 0 HE22 GLN A 33 -0.866 -4.091 -10.974 1.00 0.00 H new ATOM 507 N THR A 34 -5.061 -6.088 -4.908 1.00 0.00 N ATOM 508 CA THR A 34 -6.310 -5.918 -4.167 1.00 0.00 C ATOM 509 C THR A 34 -7.122 -4.749 -4.722 1.00 0.00 C ATOM 510 O THR A 34 -6.621 -3.947 -5.511 1.00 0.00 O ATOM 511 CB THR A 34 -6.002 -5.666 -2.691 1.00 0.00 C ATOM 512 OG1 THR A 34 -5.623 -4.308 -2.518 1.00 0.00 O ATOM 513 CG2 THR A 34 -4.860 -6.578 -2.248 1.00 0.00 C ATOM 0 H THR A 34 -4.259 -5.607 -4.501 1.00 0.00 H new ATOM 0 HA THR A 34 -6.897 -6.830 -4.274 1.00 0.00 H new ATOM 0 HB THR A 34 -6.886 -5.877 -2.089 1.00 0.00 H new ATOM 0 HG1 THR A 34 -5.426 -4.141 -1.573 1.00 0.00 H new ATOM 0 HG21 THR A 34 -4.639 -6.399 -1.196 1.00 0.00 H new ATOM 0 HG22 THR A 34 -5.151 -7.619 -2.386 1.00 0.00 H new ATOM 0 HG23 THR A 34 -3.973 -6.367 -2.846 1.00 0.00 H new ATOM 521 N ASP A 35 -8.377 -4.658 -4.292 1.00 0.00 N ATOM 522 CA ASP A 35 -9.261 -3.586 -4.737 1.00 0.00 C ATOM 523 C ASP A 35 -8.845 -2.262 -4.109 1.00 0.00 C ATOM 524 O ASP A 35 -9.506 -1.242 -4.298 1.00 0.00 O ATOM 525 CB ASP A 35 -10.704 -3.904 -4.344 1.00 0.00 C ATOM 526 CG ASP A 35 -11.226 -5.059 -5.190 1.00 0.00 C ATOM 527 OD1 ASP A 35 -10.585 -5.378 -6.177 1.00 0.00 O ATOM 528 OD2 ASP A 35 -12.258 -5.604 -4.839 1.00 0.00 O ATOM 0 H ASP A 35 -8.804 -5.313 -3.637 1.00 0.00 H new ATOM 0 HA ASP A 35 -9.189 -3.504 -5.822 1.00 0.00 H new ATOM 0 HB2 ASP A 35 -10.754 -4.164 -3.287 1.00 0.00 H new ATOM 0 HB3 ASP A 35 -11.332 -3.024 -4.486 1.00 0.00 H new ATOM 533 N ASN A 36 -7.740 -2.290 -3.366 1.00 0.00 N ATOM 534 CA ASN A 36 -7.221 -1.091 -2.711 1.00 0.00 C ATOM 535 C ASN A 36 -5.963 -0.617 -3.430 1.00 0.00 C ATOM 536 O ASN A 36 -5.971 -0.405 -4.642 1.00 0.00 O ATOM 537 CB ASN A 36 -6.893 -1.403 -1.250 1.00 0.00 C ATOM 538 CG ASN A 36 -6.645 -0.107 -0.486 1.00 0.00 C ATOM 539 OD1 ASN A 36 -7.331 0.889 -0.714 1.00 0.00 O ATOM 540 ND2 ASN A 36 -5.693 -0.057 0.405 1.00 0.00 N ATOM 0 H ASN A 36 -7.186 -3.131 -3.203 1.00 0.00 H new ATOM 0 HA ASN A 36 -7.975 -0.305 -2.750 1.00 0.00 H new ATOM 0 HB2 ASN A 36 -7.716 -1.953 -0.793 1.00 0.00 H new ATOM 0 HB3 ASN A 36 -6.012 -2.042 -1.194 1.00 0.00 H new ATOM 0 HD21 ASN A 36 -5.516 0.809 0.914 1.00 0.00 H new ATOM 0 HD22 ASN A 36 -5.126 -0.884 0.592 1.00 0.00 H new ATOM 547 N CYS A 37 -4.881 -0.454 -2.676 1.00 0.00 N ATOM 548 CA CYS A 37 -3.614 -0.006 -3.241 1.00 0.00 C ATOM 549 C CYS A 37 -2.456 -0.775 -2.613 1.00 0.00 C ATOM 550 O CYS A 37 -1.515 -0.182 -2.083 1.00 0.00 O ATOM 551 CB CYS A 37 -3.447 1.490 -2.996 1.00 0.00 C ATOM 552 SG CYS A 37 -4.657 2.409 -3.982 1.00 0.00 S ATOM 0 H CYS A 37 -4.857 -0.626 -1.671 1.00 0.00 H new ATOM 0 HA CYS A 37 -3.614 -0.195 -4.314 1.00 0.00 H new ATOM 0 HB2 CYS A 37 -3.582 1.712 -1.937 1.00 0.00 H new ATOM 0 HB3 CYS A 37 -2.436 1.801 -3.261 1.00 0.00 H new ATOM 557 N GLU A 38 -2.532 -2.103 -2.699 1.00 0.00 N ATOM 558 CA GLU A 38 -1.488 -2.979 -2.167 1.00 0.00 C ATOM 559 C GLU A 38 -1.386 -4.222 -3.049 1.00 0.00 C ATOM 560 O GLU A 38 -2.373 -4.634 -3.660 1.00 0.00 O ATOM 561 CB GLU A 38 -1.810 -3.399 -0.728 1.00 0.00 C ATOM 562 CG GLU A 38 -1.851 -2.169 0.183 1.00 0.00 C ATOM 563 CD GLU A 38 -2.121 -2.596 1.623 1.00 0.00 C ATOM 564 OE1 GLU A 38 -2.993 -3.426 1.820 1.00 0.00 O ATOM 565 OE2 GLU A 38 -1.448 -2.090 2.506 1.00 0.00 O ATOM 0 H GLU A 38 -3.310 -2.598 -3.135 1.00 0.00 H new ATOM 0 HA GLU A 38 -0.541 -2.439 -2.164 1.00 0.00 H new ATOM 0 HB2 GLU A 38 -2.769 -3.916 -0.698 1.00 0.00 H new ATOM 0 HB3 GLU A 38 -1.058 -4.102 -0.369 1.00 0.00 H new ATOM 0 HG2 GLU A 38 -0.904 -1.632 0.126 1.00 0.00 H new ATOM 0 HG3 GLU A 38 -2.628 -1.483 -0.153 1.00 0.00 H new ATOM 572 N THR A 39 -0.199 -4.823 -3.127 1.00 0.00 N ATOM 573 CA THR A 39 -0.009 -6.023 -3.954 1.00 0.00 C ATOM 574 C THR A 39 0.839 -7.050 -3.214 1.00 0.00 C ATOM 575 O THR A 39 1.924 -6.729 -2.725 1.00 0.00 O ATOM 576 CB THR A 39 0.665 -5.642 -5.274 1.00 0.00 C ATOM 577 OG1 THR A 39 -0.137 -4.681 -5.945 1.00 0.00 O ATOM 578 CG2 THR A 39 0.815 -6.887 -6.152 1.00 0.00 C ATOM 0 H THR A 39 0.638 -4.507 -2.636 1.00 0.00 H new ATOM 0 HA THR A 39 -0.984 -6.463 -4.163 1.00 0.00 H new ATOM 0 HB THR A 39 1.651 -5.223 -5.075 1.00 0.00 H new ATOM 0 HG1 THR A 39 0.290 -4.432 -6.791 1.00 0.00 H new ATOM 0 HG21 THR A 39 1.295 -6.614 -7.092 1.00 0.00 H new ATOM 0 HG22 THR A 39 1.426 -7.626 -5.634 1.00 0.00 H new ATOM 0 HG23 THR A 39 -0.169 -7.309 -6.357 1.00 0.00 H new ATOM 586 N CYS A 40 0.335 -8.286 -3.125 1.00 0.00 N ATOM 587 CA CYS A 40 1.046 -9.356 -2.423 1.00 0.00 C ATOM 588 C CYS A 40 1.471 -10.479 -3.369 1.00 0.00 C ATOM 589 O CYS A 40 0.998 -10.573 -4.503 1.00 0.00 O ATOM 590 CB CYS A 40 0.158 -9.924 -1.313 1.00 0.00 C ATOM 591 SG CYS A 40 -0.500 -8.581 -0.284 1.00 0.00 S ATOM 0 H CYS A 40 -0.558 -8.568 -3.529 1.00 0.00 H new ATOM 0 HA CYS A 40 1.951 -8.925 -1.994 1.00 0.00 H new ATOM 0 HB2 CYS A 40 -0.663 -10.492 -1.750 1.00 0.00 H new ATOM 0 HB3 CYS A 40 0.732 -10.616 -0.697 1.00 0.00 H new ATOM 596 N THR A 41 2.386 -11.321 -2.877 1.00 0.00 N ATOM 597 CA THR A 41 2.916 -12.449 -3.652 1.00 0.00 C ATOM 598 C THR A 41 2.905 -13.727 -2.812 1.00 0.00 C ATOM 599 O THR A 41 3.141 -13.686 -1.604 1.00 0.00 O ATOM 600 CB THR A 41 4.355 -12.146 -4.084 1.00 0.00 C ATOM 601 OG1 THR A 41 4.389 -10.909 -4.782 1.00 0.00 O ATOM 602 CG2 THR A 41 4.867 -13.266 -4.994 1.00 0.00 C ATOM 0 H THR A 41 2.778 -11.242 -1.939 1.00 0.00 H new ATOM 0 HA THR A 41 2.286 -12.593 -4.530 1.00 0.00 H new ATOM 0 HB THR A 41 4.992 -12.082 -3.202 1.00 0.00 H new ATOM 0 HG1 THR A 41 5.309 -10.714 -5.057 1.00 0.00 H new ATOM 0 HG21 THR A 41 5.890 -13.048 -5.299 1.00 0.00 H new ATOM 0 HG22 THR A 41 4.844 -14.213 -4.454 1.00 0.00 H new ATOM 0 HG23 THR A 41 4.232 -13.336 -5.877 1.00 0.00 H new ATOM 610 N CYS A 42 2.628 -14.862 -3.456 1.00 0.00 N ATOM 611 CA CYS A 42 2.588 -16.153 -2.759 1.00 0.00 C ATOM 612 C CYS A 42 3.875 -16.946 -2.986 1.00 0.00 C ATOM 613 O CYS A 42 4.185 -17.339 -4.110 1.00 0.00 O ATOM 614 CB CYS A 42 1.402 -16.988 -3.262 1.00 0.00 C ATOM 615 SG CYS A 42 1.137 -18.404 -2.169 1.00 0.00 S ATOM 0 H CYS A 42 2.429 -14.916 -4.455 1.00 0.00 H new ATOM 0 HA CYS A 42 2.480 -15.948 -1.694 1.00 0.00 H new ATOM 0 HB2 CYS A 42 0.503 -16.373 -3.299 1.00 0.00 H new ATOM 0 HB3 CYS A 42 1.594 -17.333 -4.278 1.00 0.00 H new ATOM 620 N TYR A 43 4.594 -17.210 -1.897 1.00 0.00 N ATOM 621 CA TYR A 43 5.830 -18.005 -1.959 1.00 0.00 C ATOM 622 C TYR A 43 5.584 -19.357 -1.311 1.00 0.00 C ATOM 623 O TYR A 43 4.493 -19.623 -0.808 1.00 0.00 O ATOM 624 CB TYR A 43 6.998 -17.305 -1.257 1.00 0.00 C ATOM 625 CG TYR A 43 7.430 -16.096 -2.054 1.00 0.00 C ATOM 626 CD1 TYR A 43 8.287 -16.254 -3.151 1.00 0.00 C ATOM 627 CD2 TYR A 43 6.977 -14.820 -1.699 1.00 0.00 C ATOM 628 CE1 TYR A 43 8.693 -15.137 -3.890 1.00 0.00 C ATOM 629 CE2 TYR A 43 7.382 -13.702 -2.439 1.00 0.00 C ATOM 630 CZ TYR A 43 8.240 -13.860 -3.535 1.00 0.00 C ATOM 631 OH TYR A 43 8.639 -12.757 -4.262 1.00 0.00 O ATOM 0 H TYR A 43 4.347 -16.888 -0.961 1.00 0.00 H new ATOM 0 HA TYR A 43 6.101 -18.127 -3.008 1.00 0.00 H new ATOM 0 HB2 TYR A 43 6.701 -17.002 -0.253 1.00 0.00 H new ATOM 0 HB3 TYR A 43 7.834 -17.996 -1.147 1.00 0.00 H new ATOM 0 HD1 TYR A 43 8.635 -17.239 -3.427 1.00 0.00 H new ATOM 0 HD2 TYR A 43 6.315 -14.698 -0.854 1.00 0.00 H new ATOM 0 HE1 TYR A 43 9.356 -15.260 -4.734 1.00 0.00 H new ATOM 0 HE2 TYR A 43 7.033 -12.718 -2.165 1.00 0.00 H new ATOM 0 HH TYR A 43 8.232 -11.950 -3.882 1.00 0.00 H new ATOM 641 N GLU A 44 6.587 -20.221 -1.347 1.00 0.00 N ATOM 642 CA GLU A 44 6.452 -21.565 -0.782 1.00 0.00 C ATOM 643 C GLU A 44 6.870 -21.602 0.687 1.00 0.00 C ATOM 644 O GLU A 44 7.085 -22.673 1.254 1.00 0.00 O ATOM 645 CB GLU A 44 7.317 -22.541 -1.595 1.00 0.00 C ATOM 646 CG GLU A 44 6.778 -23.961 -1.439 1.00 0.00 C ATOM 647 CD GLU A 44 7.592 -24.924 -2.291 1.00 0.00 C ATOM 648 OE1 GLU A 44 8.621 -24.512 -2.799 1.00 0.00 O ATOM 649 OE2 GLU A 44 7.174 -26.063 -2.424 1.00 0.00 O ATOM 0 H GLU A 44 7.499 -20.023 -1.757 1.00 0.00 H new ATOM 0 HA GLU A 44 5.403 -21.857 -0.835 1.00 0.00 H new ATOM 0 HB2 GLU A 44 7.315 -22.255 -2.647 1.00 0.00 H new ATOM 0 HB3 GLU A 44 8.351 -22.495 -1.255 1.00 0.00 H new ATOM 0 HG2 GLU A 44 6.822 -24.262 -0.392 1.00 0.00 H new ATOM 0 HG3 GLU A 44 5.730 -23.996 -1.737 1.00 0.00 H new ATOM 656 N THR A 45 7.003 -20.437 1.302 1.00 0.00 N ATOM 657 CA THR A 45 7.418 -20.375 2.702 1.00 0.00 C ATOM 658 C THR A 45 6.663 -19.291 3.452 1.00 0.00 C ATOM 659 O THR A 45 6.263 -19.491 4.600 1.00 0.00 O ATOM 660 CB THR A 45 8.928 -20.101 2.775 1.00 0.00 C ATOM 661 OG1 THR A 45 9.223 -19.388 3.968 1.00 0.00 O ATOM 662 CG2 THR A 45 9.348 -19.269 1.561 1.00 0.00 C ATOM 0 H THR A 45 6.833 -19.531 0.865 1.00 0.00 H new ATOM 0 HA THR A 45 7.191 -21.332 3.171 1.00 0.00 H new ATOM 0 HB THR A 45 9.473 -21.045 2.776 1.00 0.00 H new ATOM 0 HG1 THR A 45 10.186 -19.214 4.016 1.00 0.00 H new ATOM 0 HG21 THR A 45 10.419 -19.072 1.608 1.00 0.00 H new ATOM 0 HG22 THR A 45 9.120 -19.818 0.647 1.00 0.00 H new ATOM 0 HG23 THR A 45 8.805 -18.324 1.562 1.00 0.00 H new ATOM 670 N GLU A 46 6.456 -18.138 2.815 1.00 0.00 N ATOM 671 CA GLU A 46 5.739 -17.035 3.454 1.00 0.00 C ATOM 672 C GLU A 46 5.103 -16.137 2.398 1.00 0.00 C ATOM 673 O GLU A 46 5.128 -16.440 1.212 1.00 0.00 O ATOM 674 CB GLU A 46 6.697 -16.184 4.302 1.00 0.00 C ATOM 675 CG GLU A 46 7.188 -16.976 5.518 1.00 0.00 C ATOM 676 CD GLU A 46 8.033 -16.075 6.415 1.00 0.00 C ATOM 677 OE1 GLU A 46 8.185 -14.912 6.082 1.00 0.00 O ATOM 678 OE2 GLU A 46 8.515 -16.566 7.424 1.00 0.00 O ATOM 0 H GLU A 46 6.772 -17.945 1.865 1.00 0.00 H new ATOM 0 HA GLU A 46 4.968 -17.465 4.093 1.00 0.00 H new ATOM 0 HB2 GLU A 46 7.548 -15.872 3.696 1.00 0.00 H new ATOM 0 HB3 GLU A 46 6.191 -15.277 4.632 1.00 0.00 H new ATOM 0 HG2 GLU A 46 6.337 -17.366 6.077 1.00 0.00 H new ATOM 0 HG3 GLU A 46 7.776 -17.834 5.192 1.00 0.00 H new ATOM 685 N ILE A 47 4.550 -15.012 2.838 1.00 0.00 N ATOM 686 CA ILE A 47 3.938 -14.043 1.927 1.00 0.00 C ATOM 687 C ILE A 47 4.569 -12.679 2.165 1.00 0.00 C ATOM 688 O ILE A 47 4.613 -12.191 3.292 1.00 0.00 O ATOM 689 CB ILE A 47 2.416 -13.978 2.147 1.00 0.00 C ATOM 690 CG1 ILE A 47 1.762 -15.296 1.669 1.00 0.00 C ATOM 691 CG2 ILE A 47 1.824 -12.798 1.359 1.00 0.00 C ATOM 692 CD1 ILE A 47 0.472 -15.568 2.457 1.00 0.00 C ATOM 0 H ILE A 47 4.511 -14.745 3.822 1.00 0.00 H new ATOM 0 HA ILE A 47 4.113 -14.352 0.897 1.00 0.00 H new ATOM 0 HB ILE A 47 2.217 -13.838 3.209 1.00 0.00 H new ATOM 0 HG12 ILE A 47 1.539 -15.234 0.604 1.00 0.00 H new ATOM 0 HG13 ILE A 47 2.458 -16.124 1.801 1.00 0.00 H new ATOM 0 HG21 ILE A 47 0.747 -12.758 1.519 1.00 0.00 H new ATOM 0 HG22 ILE A 47 2.277 -11.868 1.702 1.00 0.00 H new ATOM 0 HG23 ILE A 47 2.028 -12.931 0.297 1.00 0.00 H new ATOM 0 HD11 ILE A 47 0.023 -16.499 2.110 1.00 0.00 H new ATOM 0 HD12 ILE A 47 0.705 -15.651 3.519 1.00 0.00 H new ATOM 0 HD13 ILE A 47 -0.229 -14.747 2.303 1.00 0.00 H new ATOM 704 N SER A 48 5.039 -12.066 1.088 1.00 0.00 N ATOM 705 CA SER A 48 5.655 -10.743 1.158 1.00 0.00 C ATOM 706 C SER A 48 4.806 -9.780 0.359 1.00 0.00 C ATOM 707 O SER A 48 4.505 -10.038 -0.807 1.00 0.00 O ATOM 708 CB SER A 48 7.072 -10.780 0.582 1.00 0.00 C ATOM 709 OG SER A 48 7.612 -9.464 0.582 1.00 0.00 O ATOM 0 H SER A 48 5.006 -12.464 0.149 1.00 0.00 H new ATOM 0 HA SER A 48 5.717 -10.423 2.198 1.00 0.00 H new ATOM 0 HB2 SER A 48 7.701 -11.444 1.175 1.00 0.00 H new ATOM 0 HB3 SER A 48 7.055 -11.179 -0.432 1.00 0.00 H new ATOM 0 HG SER A 48 8.165 -9.337 1.381 1.00 0.00 H new ATOM 715 N CYS A 49 4.396 -8.682 0.986 1.00 0.00 N ATOM 716 CA CYS A 49 3.549 -7.699 0.317 1.00 0.00 C ATOM 717 C CYS A 49 4.141 -6.305 0.404 1.00 0.00 C ATOM 718 O CYS A 49 4.802 -5.948 1.377 1.00 0.00 O ATOM 719 CB CYS A 49 2.148 -7.718 0.944 1.00 0.00 C ATOM 720 SG CYS A 49 0.933 -7.155 -0.276 1.00 0.00 S ATOM 0 H CYS A 49 4.634 -8.451 1.950 1.00 0.00 H new ATOM 0 HA CYS A 49 3.483 -7.965 -0.738 1.00 0.00 H new ATOM 0 HB2 CYS A 49 1.902 -8.725 1.280 1.00 0.00 H new ATOM 0 HB3 CYS A 49 2.122 -7.074 1.823 1.00 0.00 H new ATOM 725 N CYS A 50 3.879 -5.520 -0.635 1.00 0.00 N ATOM 726 CA CYS A 50 4.359 -4.151 -0.708 1.00 0.00 C ATOM 727 C CYS A 50 3.219 -3.239 -1.127 1.00 0.00 C ATOM 728 O CYS A 50 2.407 -3.582 -1.989 1.00 0.00 O ATOM 729 CB CYS A 50 5.526 -4.043 -1.698 1.00 0.00 C ATOM 730 SG CYS A 50 7.084 -4.340 -0.827 1.00 0.00 S ATOM 0 H CYS A 50 3.332 -5.815 -1.444 1.00 0.00 H new ATOM 0 HA CYS A 50 4.720 -3.845 0.274 1.00 0.00 H new ATOM 0 HB2 CYS A 50 5.403 -4.768 -2.503 1.00 0.00 H new ATOM 0 HB3 CYS A 50 5.537 -3.055 -2.158 1.00 0.00 H new ATOM 735 N THR A 51 3.159 -2.086 -0.492 1.00 0.00 N ATOM 736 CA THR A 51 2.111 -1.123 -0.776 1.00 0.00 C ATOM 737 C THR A 51 2.388 -0.379 -2.075 1.00 0.00 C ATOM 738 O THR A 51 3.540 -0.201 -2.475 1.00 0.00 O ATOM 739 CB THR A 51 1.984 -0.153 0.389 1.00 0.00 C ATOM 740 OG1 THR A 51 0.885 0.712 0.157 1.00 0.00 O ATOM 741 CG2 THR A 51 3.273 0.658 0.530 1.00 0.00 C ATOM 0 H THR A 51 3.823 -1.792 0.224 1.00 0.00 H new ATOM 0 HA THR A 51 1.168 -1.655 -0.900 1.00 0.00 H new ATOM 0 HB THR A 51 1.817 -0.708 1.312 1.00 0.00 H new ATOM 0 HG1 THR A 51 0.399 0.856 0.996 1.00 0.00 H new ATOM 0 HG21 THR A 51 3.177 1.351 1.366 1.00 0.00 H new ATOM 0 HG22 THR A 51 4.109 -0.017 0.712 1.00 0.00 H new ATOM 0 HG23 THR A 51 3.452 1.218 -0.388 1.00 0.00 H new ATOM 749 N LEU A 52 1.312 0.040 -2.732 1.00 0.00 N ATOM 750 CA LEU A 52 1.403 0.754 -4.000 1.00 0.00 C ATOM 751 C LEU A 52 1.445 2.261 -3.776 1.00 0.00 C ATOM 752 O LEU A 52 1.403 3.034 -4.732 1.00 0.00 O ATOM 753 CB LEU A 52 0.179 0.395 -4.859 1.00 0.00 C ATOM 754 CG LEU A 52 0.220 -1.098 -5.233 1.00 0.00 C ATOM 755 CD1 LEU A 52 -1.147 -1.537 -5.781 1.00 0.00 C ATOM 756 CD2 LEU A 52 1.295 -1.354 -6.305 1.00 0.00 C ATOM 0 H LEU A 52 0.357 -0.105 -2.403 1.00 0.00 H new ATOM 0 HA LEU A 52 2.322 0.460 -4.507 1.00 0.00 H new ATOM 0 HB2 LEU A 52 -0.737 0.617 -4.312 1.00 0.00 H new ATOM 0 HB3 LEU A 52 0.166 1.005 -5.762 1.00 0.00 H new ATOM 0 HG LEU A 52 0.461 -1.671 -4.337 1.00 0.00 H new ATOM 0 HD11 LEU A 52 -1.111 -2.594 -6.044 1.00 0.00 H new ATOM 0 HD12 LEU A 52 -1.912 -1.378 -5.021 1.00 0.00 H new ATOM 0 HD13 LEU A 52 -1.389 -0.951 -6.668 1.00 0.00 H new ATOM 0 HD21 LEU A 52 1.311 -2.414 -6.558 1.00 0.00 H new ATOM 0 HD22 LEU A 52 1.065 -0.771 -7.197 1.00 0.00 H new ATOM 0 HD23 LEU A 52 2.271 -1.058 -5.920 1.00 0.00 H new ATOM 768 N VAL A 53 1.504 2.679 -2.505 1.00 0.00 N ATOM 769 CA VAL A 53 1.525 4.112 -2.169 1.00 0.00 C ATOM 770 C VAL A 53 2.775 4.492 -1.375 1.00 0.00 C ATOM 771 O VAL A 53 3.303 3.689 -0.604 1.00 0.00 O ATOM 772 CB VAL A 53 0.265 4.452 -1.354 1.00 0.00 C ATOM 773 CG1 VAL A 53 -0.969 3.809 -2.019 1.00 0.00 C ATOM 774 CG2 VAL A 53 0.415 3.929 0.093 1.00 0.00 C ATOM 0 H VAL A 53 1.538 2.055 -1.699 1.00 0.00 H new ATOM 0 HA VAL A 53 1.543 4.682 -3.098 1.00 0.00 H new ATOM 0 HB VAL A 53 0.137 5.534 -1.326 1.00 0.00 H new ATOM 0 HG11 VAL A 53 -1.861 4.050 -1.441 1.00 0.00 H new ATOM 0 HG12 VAL A 53 -1.078 4.194 -3.033 1.00 0.00 H new ATOM 0 HG13 VAL A 53 -0.841 2.727 -2.054 1.00 0.00 H new ATOM 0 HG21 VAL A 53 -0.481 4.174 0.663 1.00 0.00 H new ATOM 0 HG22 VAL A 53 0.551 2.848 0.077 1.00 0.00 H new ATOM 0 HG23 VAL A 53 1.282 4.396 0.561 1.00 0.00 H new ATOM 784 N SER A 54 3.229 5.732 -1.569 1.00 0.00 N ATOM 785 CA SER A 54 4.406 6.242 -0.870 1.00 0.00 C ATOM 786 C SER A 54 3.988 6.988 0.395 1.00 0.00 C ATOM 787 O SER A 54 2.878 7.508 0.474 1.00 0.00 O ATOM 788 CB SER A 54 5.175 7.183 -1.790 1.00 0.00 C ATOM 789 OG SER A 54 4.280 8.145 -2.338 1.00 0.00 O ATOM 0 H SER A 54 2.797 6.401 -2.206 1.00 0.00 H new ATOM 0 HA SER A 54 5.043 5.403 -0.589 1.00 0.00 H new ATOM 0 HB2 SER A 54 5.969 7.683 -1.235 1.00 0.00 H new ATOM 0 HB3 SER A 54 5.653 6.617 -2.590 1.00 0.00 H new ATOM 0 HG SER A 54 4.455 9.021 -1.936 1.00 0.00 H new ATOM 795 N THR A 55 4.880 7.040 1.386 1.00 0.00 N ATOM 796 CA THR A 55 4.576 7.733 2.645 1.00 0.00 C ATOM 797 C THR A 55 5.263 9.109 2.694 1.00 0.00 C ATOM 798 O THR A 55 6.476 9.195 2.501 1.00 0.00 O ATOM 799 CB THR A 55 5.066 6.903 3.832 1.00 0.00 C ATOM 800 OG1 THR A 55 4.647 5.555 3.676 1.00 0.00 O ATOM 801 CG2 THR A 55 4.483 7.479 5.123 1.00 0.00 C ATOM 0 H THR A 55 5.808 6.618 1.346 1.00 0.00 H new ATOM 0 HA THR A 55 3.496 7.867 2.699 1.00 0.00 H new ATOM 0 HB THR A 55 6.155 6.935 3.878 1.00 0.00 H new ATOM 0 HG1 THR A 55 4.963 5.024 4.437 1.00 0.00 H new ATOM 0 HG21 THR A 55 4.829 6.891 5.973 1.00 0.00 H new ATOM 0 HG22 THR A 55 4.809 8.512 5.240 1.00 0.00 H new ATOM 0 HG23 THR A 55 3.394 7.445 5.078 1.00 0.00 H new ATOM 809 N PRO A 56 4.540 10.181 2.968 1.00 0.00 N ATOM 810 CA PRO A 56 5.146 11.541 3.054 1.00 0.00 C ATOM 811 C PRO A 56 5.837 11.747 4.398 1.00 0.00 C ATOM 812 O PRO A 56 5.250 11.500 5.451 1.00 0.00 O ATOM 813 CB PRO A 56 3.938 12.472 2.908 1.00 0.00 C ATOM 814 CG PRO A 56 2.808 11.710 3.517 1.00 0.00 C ATOM 815 CD PRO A 56 3.088 10.230 3.225 1.00 0.00 C ATOM 0 HA PRO A 56 5.914 11.716 2.300 1.00 0.00 H new ATOM 0 HB2 PRO A 56 4.102 13.419 3.422 1.00 0.00 H new ATOM 0 HB3 PRO A 56 3.741 12.707 1.862 1.00 0.00 H new ATOM 0 HG2 PRO A 56 2.749 11.891 4.590 1.00 0.00 H new ATOM 0 HG3 PRO A 56 1.854 12.018 3.089 1.00 0.00 H new ATOM 0 HD2 PRO A 56 2.811 9.598 4.069 1.00 0.00 H new ATOM 0 HD3 PRO A 56 2.519 9.879 2.364 1.00 0.00 H new ATOM 823 N VAL A 57 7.085 12.195 4.358 1.00 0.00 N ATOM 824 CA VAL A 57 7.847 12.426 5.583 1.00 0.00 C ATOM 825 C VAL A 57 8.771 13.628 5.413 1.00 0.00 C ATOM 826 O VAL A 57 9.292 13.878 4.326 1.00 0.00 O ATOM 827 CB VAL A 57 8.659 11.174 5.916 1.00 0.00 C ATOM 828 CG1 VAL A 57 9.453 10.755 4.682 1.00 0.00 C ATOM 829 CG2 VAL A 57 9.621 11.467 7.072 1.00 0.00 C ATOM 0 H VAL A 57 7.591 12.405 3.497 1.00 0.00 H new ATOM 0 HA VAL A 57 7.159 12.637 6.402 1.00 0.00 H new ATOM 0 HB VAL A 57 7.985 10.371 6.213 1.00 0.00 H new ATOM 0 HG11 VAL A 57 10.036 9.862 4.910 1.00 0.00 H new ATOM 0 HG12 VAL A 57 8.766 10.541 3.863 1.00 0.00 H new ATOM 0 HG13 VAL A 57 10.125 11.562 4.390 1.00 0.00 H new ATOM 0 HG21 VAL A 57 10.196 10.570 7.303 1.00 0.00 H new ATOM 0 HG22 VAL A 57 10.300 12.270 6.785 1.00 0.00 H new ATOM 0 HG23 VAL A 57 9.052 11.770 7.951 1.00 0.00 H new ATOM 839 N GLY A 58 8.965 14.373 6.496 1.00 0.00 N ATOM 840 CA GLY A 58 9.824 15.550 6.458 1.00 0.00 C ATOM 841 C GLY A 58 9.051 16.760 5.946 1.00 0.00 C ATOM 842 O GLY A 58 9.532 17.502 5.091 1.00 0.00 O ATOM 0 H GLY A 58 8.542 14.184 7.405 1.00 0.00 H new ATOM 0 HA2 GLY A 58 10.213 15.755 7.455 1.00 0.00 H new ATOM 0 HA3 GLY A 58 10.682 15.360 5.813 1.00 0.00 H new ATOM 846 N TYR A 59 7.842 16.948 6.473 1.00 0.00 N ATOM 847 CA TYR A 59 6.998 18.067 6.061 1.00 0.00 C ATOM 848 C TYR A 59 6.223 18.610 7.254 1.00 0.00 C ATOM 849 O TYR A 59 6.167 17.983 8.311 1.00 0.00 O ATOM 850 CB TYR A 59 6.023 17.619 4.967 1.00 0.00 C ATOM 851 CG TYR A 59 5.038 16.613 5.527 1.00 0.00 C ATOM 852 CD1 TYR A 59 5.476 15.341 5.908 1.00 0.00 C ATOM 853 CD2 TYR A 59 3.683 16.954 5.657 1.00 0.00 C ATOM 854 CE1 TYR A 59 4.562 14.413 6.421 1.00 0.00 C ATOM 855 CE2 TYR A 59 2.771 16.025 6.168 1.00 0.00 C ATOM 856 CZ TYR A 59 3.210 14.754 6.550 1.00 0.00 C ATOM 857 OH TYR A 59 2.313 13.836 7.056 1.00 0.00 O ATOM 0 H TYR A 59 7.427 16.343 7.182 1.00 0.00 H new ATOM 0 HA TYR A 59 7.637 18.857 5.665 1.00 0.00 H new ATOM 0 HB2 TYR A 59 5.488 18.482 4.571 1.00 0.00 H new ATOM 0 HB3 TYR A 59 6.574 17.177 4.137 1.00 0.00 H new ATOM 0 HD1 TYR A 59 6.518 15.075 5.807 1.00 0.00 H new ATOM 0 HD2 TYR A 59 3.344 17.936 5.362 1.00 0.00 H new ATOM 0 HE1 TYR A 59 4.901 13.431 6.718 1.00 0.00 H new ATOM 0 HE2 TYR A 59 1.729 16.289 6.267 1.00 0.00 H new ATOM 0 HH TYR A 59 1.417 14.233 7.080 1.00 0.00 H new ATOM 867 N ASP A 60 5.635 19.785 7.077 1.00 0.00 N ATOM 868 CA ASP A 60 4.871 20.410 8.153 1.00 0.00 C ATOM 869 C ASP A 60 3.514 19.736 8.303 1.00 0.00 C ATOM 870 O ASP A 60 2.553 20.087 7.620 1.00 0.00 O ATOM 871 CB ASP A 60 4.673 21.898 7.865 1.00 0.00 C ATOM 872 CG ASP A 60 5.996 22.639 8.027 1.00 0.00 C ATOM 873 OD1 ASP A 60 6.943 22.027 8.492 1.00 0.00 O ATOM 874 OD2 ASP A 60 6.042 23.809 7.684 1.00 0.00 O ATOM 0 H ASP A 60 5.670 20.321 6.210 1.00 0.00 H new ATOM 0 HA ASP A 60 5.430 20.295 9.082 1.00 0.00 H new ATOM 0 HB2 ASP A 60 4.292 22.034 6.853 1.00 0.00 H new ATOM 0 HB3 ASP A 60 3.928 22.313 8.544 1.00 0.00 H new ATOM 879 N LYS A 61 3.450 18.758 9.196 1.00 0.00 N ATOM 880 CA LYS A 61 2.214 18.025 9.428 1.00 0.00 C ATOM 881 C LYS A 61 1.110 18.956 9.918 1.00 0.00 C ATOM 882 O LYS A 61 -0.049 18.814 9.534 1.00 0.00 O ATOM 883 CB LYS A 61 2.443 16.929 10.470 1.00 0.00 C ATOM 884 CG LYS A 61 3.379 15.861 9.907 1.00 0.00 C ATOM 885 CD LYS A 61 3.636 14.795 10.974 1.00 0.00 C ATOM 886 CE LYS A 61 4.625 13.759 10.435 1.00 0.00 C ATOM 887 NZ LYS A 61 4.046 13.098 9.231 1.00 0.00 N ATOM 0 H LYS A 61 4.237 18.455 9.770 1.00 0.00 H new ATOM 0 HA LYS A 61 1.906 17.579 8.482 1.00 0.00 H new ATOM 0 HB2 LYS A 61 2.872 17.360 11.375 1.00 0.00 H new ATOM 0 HB3 LYS A 61 1.491 16.479 10.751 1.00 0.00 H new ATOM 0 HG2 LYS A 61 2.937 15.405 9.021 1.00 0.00 H new ATOM 0 HG3 LYS A 61 4.320 16.314 9.596 1.00 0.00 H new ATOM 0 HD2 LYS A 61 4.034 15.258 11.877 1.00 0.00 H new ATOM 0 HD3 LYS A 61 2.700 14.310 11.251 1.00 0.00 H new ATOM 0 HE2 LYS A 61 5.569 14.240 10.180 1.00 0.00 H new ATOM 0 HE3 LYS A 61 4.843 13.015 11.202 1.00 0.00 H new ATOM 0 HZ1 LYS A 61 4.564 12.218 9.036 1.00 0.00 H new ATOM 0 HZ2 LYS A 61 3.044 12.879 9.403 1.00 0.00 H new ATOM 0 HZ3 LYS A 61 4.126 13.735 8.413 1.00 0.00 H new ATOM 901 N ASP A 62 1.465 19.899 10.786 1.00 0.00 N ATOM 902 CA ASP A 62 0.484 20.829 11.330 1.00 0.00 C ATOM 903 C ASP A 62 -0.104 21.743 10.250 1.00 0.00 C ATOM 904 O ASP A 62 -1.308 21.993 10.230 1.00 0.00 O ATOM 905 CB ASP A 62 1.146 21.684 12.414 1.00 0.00 C ATOM 906 CG ASP A 62 1.410 20.839 13.657 1.00 0.00 C ATOM 907 OD1 ASP A 62 0.950 19.709 13.691 1.00 0.00 O ATOM 908 OD2 ASP A 62 2.071 21.334 14.555 1.00 0.00 O ATOM 0 H ASP A 62 2.417 20.038 11.125 1.00 0.00 H new ATOM 0 HA ASP A 62 -0.334 20.243 11.750 1.00 0.00 H new ATOM 0 HB2 ASP A 62 2.082 22.098 12.040 1.00 0.00 H new ATOM 0 HB3 ASP A 62 0.503 22.527 12.667 1.00 0.00 H new ATOM 913 N ASN A 63 0.755 22.256 9.370 1.00 0.00 N ATOM 914 CA ASN A 63 0.308 23.161 8.307 1.00 0.00 C ATOM 915 C ASN A 63 -0.185 22.394 7.082 1.00 0.00 C ATOM 916 O ASN A 63 -1.031 22.879 6.332 1.00 0.00 O ATOM 917 CB ASN A 63 1.451 24.086 7.894 1.00 0.00 C ATOM 918 CG ASN A 63 1.954 24.861 9.107 1.00 0.00 C ATOM 919 OD1 ASN A 63 3.138 25.180 9.194 1.00 0.00 O ATOM 920 ND2 ASN A 63 1.118 25.186 10.056 1.00 0.00 N ATOM 0 H ASN A 63 1.757 22.064 9.370 1.00 0.00 H new ATOM 0 HA ASN A 63 -0.523 23.746 8.702 1.00 0.00 H new ATOM 0 HB2 ASN A 63 2.264 23.503 7.461 1.00 0.00 H new ATOM 0 HB3 ASN A 63 1.110 24.779 7.124 1.00 0.00 H new ATOM 0 HD21 ASN A 63 1.447 25.705 10.870 1.00 0.00 H new ATOM 0 HD22 ASN A 63 0.136 24.921 9.983 1.00 0.00 H new ATOM 927 N CYS A 64 0.349 21.190 6.890 1.00 0.00 N ATOM 928 CA CYS A 64 -0.036 20.345 5.754 1.00 0.00 C ATOM 929 C CYS A 64 -0.478 18.969 6.230 1.00 0.00 C ATOM 930 O CYS A 64 0.022 18.452 7.227 1.00 0.00 O ATOM 931 CB CYS A 64 1.136 20.184 4.790 1.00 0.00 C ATOM 932 SG CYS A 64 1.535 21.775 4.032 1.00 0.00 S ATOM 0 H CYS A 64 1.050 20.775 7.504 1.00 0.00 H new ATOM 0 HA CYS A 64 -0.866 20.832 5.243 1.00 0.00 H new ATOM 0 HB2 CYS A 64 2.005 19.797 5.322 1.00 0.00 H new ATOM 0 HB3 CYS A 64 0.885 19.457 4.018 1.00 0.00 H new ATOM 937 N GLN A 65 -1.411 18.375 5.492 1.00 0.00 N ATOM 938 CA GLN A 65 -1.921 17.044 5.819 1.00 0.00 C ATOM 939 C GLN A 65 -1.886 16.155 4.583 1.00 0.00 C ATOM 940 O GLN A 65 -2.073 16.626 3.461 1.00 0.00 O ATOM 941 CB GLN A 65 -3.354 17.146 6.340 1.00 0.00 C ATOM 942 CG GLN A 65 -4.210 17.910 5.331 1.00 0.00 C ATOM 943 CD GLN A 65 -5.621 18.090 5.878 1.00 0.00 C ATOM 944 OE1 GLN A 65 -6.121 17.228 6.603 1.00 0.00 O ATOM 945 NE2 GLN A 65 -6.296 19.165 5.577 1.00 0.00 N ATOM 0 H GLN A 65 -1.831 18.794 4.662 1.00 0.00 H new ATOM 0 HA GLN A 65 -1.290 16.606 6.593 1.00 0.00 H new ATOM 0 HB2 GLN A 65 -3.765 16.150 6.501 1.00 0.00 H new ATOM 0 HB3 GLN A 65 -3.367 17.656 7.303 1.00 0.00 H new ATOM 0 HG2 GLN A 65 -3.764 18.883 5.125 1.00 0.00 H new ATOM 0 HG3 GLN A 65 -4.244 17.368 4.386 1.00 0.00 H new ATOM 0 HE21 GLN A 65 -5.880 19.877 4.977 1.00 0.00 H new ATOM 0 HE22 GLN A 65 -7.240 19.293 5.942 1.00 0.00 H new ATOM 954 N ARG A 66 -1.637 14.869 4.798 1.00 0.00 N ATOM 955 CA ARG A 66 -1.568 13.911 3.698 1.00 0.00 C ATOM 956 C ARG A 66 -2.968 13.463 3.277 1.00 0.00 C ATOM 957 O ARG A 66 -3.834 13.237 4.121 1.00 0.00 O ATOM 958 CB ARG A 66 -0.736 12.705 4.134 1.00 0.00 C ATOM 959 CG ARG A 66 -1.412 12.025 5.326 1.00 0.00 C ATOM 960 CD ARG A 66 -0.537 10.876 5.825 1.00 0.00 C ATOM 961 NE ARG A 66 -1.192 10.204 6.945 1.00 0.00 N ATOM 962 CZ ARG A 66 -2.060 9.214 6.745 1.00 0.00 C ATOM 963 NH1 ARG A 66 -2.340 8.829 5.531 1.00 0.00 N ATOM 964 NH2 ARG A 66 -2.634 8.633 7.763 1.00 0.00 N ATOM 0 H ARG A 66 -1.480 14.465 5.721 1.00 0.00 H new ATOM 0 HA ARG A 66 -1.097 14.390 2.840 1.00 0.00 H new ATOM 0 HB2 ARG A 66 -0.636 12.001 3.308 1.00 0.00 H new ATOM 0 HB3 ARG A 66 0.271 13.023 4.405 1.00 0.00 H new ATOM 0 HG2 ARG A 66 -1.573 12.747 6.126 1.00 0.00 H new ATOM 0 HG3 ARG A 66 -2.393 11.649 5.035 1.00 0.00 H new ATOM 0 HD2 ARG A 66 -0.358 10.166 5.018 1.00 0.00 H new ATOM 0 HD3 ARG A 66 0.436 11.257 6.136 1.00 0.00 H new ATOM 0 HE ARG A 66 -0.980 10.499 7.898 1.00 0.00 H new ATOM 0 HH11 ARG A 66 -1.894 9.286 4.735 1.00 0.00 H new ATOM 0 HH12 ARG A 66 -3.005 8.071 5.377 1.00 0.00 H new ATOM 0 HH21 ARG A 66 -2.418 8.937 8.712 1.00 0.00 H new ATOM 0 HH22 ARG A 66 -3.299 7.875 7.609 1.00 0.00 H new ATOM 978 N ILE A 67 -3.188 13.356 1.962 1.00 0.00 N ATOM 979 CA ILE A 67 -4.498 12.962 1.423 1.00 0.00 C ATOM 980 C ILE A 67 -4.407 11.637 0.668 1.00 0.00 C ATOM 981 O ILE A 67 -3.513 11.438 -0.157 1.00 0.00 O ATOM 982 CB ILE A 67 -5.007 14.053 0.487 1.00 0.00 C ATOM 983 CG1 ILE A 67 -4.980 15.400 1.224 1.00 0.00 C ATOM 984 CG2 ILE A 67 -6.438 13.735 0.054 1.00 0.00 C ATOM 985 CD1 ILE A 67 -5.814 15.339 2.518 1.00 0.00 C ATOM 0 H ILE A 67 -2.479 13.536 1.251 1.00 0.00 H new ATOM 0 HA ILE A 67 -5.190 12.832 2.255 1.00 0.00 H new ATOM 0 HB ILE A 67 -4.370 14.103 -0.396 1.00 0.00 H new ATOM 0 HG12 ILE A 67 -3.951 15.667 1.463 1.00 0.00 H new ATOM 0 HG13 ILE A 67 -5.369 16.183 0.573 1.00 0.00 H new ATOM 0 HG21 ILE A 67 -6.798 14.517 -0.615 1.00 0.00 H new ATOM 0 HG22 ILE A 67 -6.457 12.777 -0.465 1.00 0.00 H new ATOM 0 HG23 ILE A 67 -7.081 13.684 0.933 1.00 0.00 H new ATOM 0 HD11 ILE A 67 -5.778 16.306 3.020 1.00 0.00 H new ATOM 0 HD12 ILE A 67 -6.848 15.096 2.273 1.00 0.00 H new ATOM 0 HD13 ILE A 67 -5.407 14.572 3.177 1.00 0.00 H new ATOM 997 N PHE A 68 -5.335 10.727 0.971 1.00 0.00 N ATOM 998 CA PHE A 68 -5.351 9.408 0.337 1.00 0.00 C ATOM 999 C PHE A 68 -6.185 9.398 -0.948 1.00 0.00 C ATOM 1000 O PHE A 68 -7.396 9.620 -0.916 1.00 0.00 O ATOM 1001 CB PHE A 68 -5.916 8.382 1.326 1.00 0.00 C ATOM 1002 CG PHE A 68 -5.916 7.009 0.693 1.00 0.00 C ATOM 1003 CD1 PHE A 68 -4.705 6.423 0.302 1.00 0.00 C ATOM 1004 CD2 PHE A 68 -7.121 6.318 0.499 1.00 0.00 C ATOM 1005 CE1 PHE A 68 -4.700 5.156 -0.285 1.00 0.00 C ATOM 1006 CE2 PHE A 68 -7.111 5.049 -0.090 1.00 0.00 C ATOM 1007 CZ PHE A 68 -5.898 4.469 -0.483 1.00 0.00 C ATOM 0 H PHE A 68 -6.082 10.879 1.649 1.00 0.00 H new ATOM 0 HA PHE A 68 -4.327 9.152 0.065 1.00 0.00 H new ATOM 0 HB2 PHE A 68 -5.317 8.373 2.237 1.00 0.00 H new ATOM 0 HB3 PHE A 68 -6.930 8.660 1.614 1.00 0.00 H new ATOM 0 HD1 PHE A 68 -3.775 6.951 0.455 1.00 0.00 H new ATOM 0 HD2 PHE A 68 -8.056 6.765 0.804 1.00 0.00 H new ATOM 0 HE1 PHE A 68 -3.766 4.706 -0.587 1.00 0.00 H new ATOM 0 HE2 PHE A 68 -8.038 4.517 -0.242 1.00 0.00 H new ATOM 0 HZ PHE A 68 -5.890 3.490 -0.939 1.00 0.00 H new ATOM 1017 N LYS A 69 -5.516 9.116 -2.078 1.00 0.00 N ATOM 1018 CA LYS A 69 -6.180 9.054 -3.392 1.00 0.00 C ATOM 1019 C LYS A 69 -6.010 7.657 -4.013 1.00 0.00 C ATOM 1020 O LYS A 69 -4.930 7.316 -4.497 1.00 0.00 O ATOM 1021 CB LYS A 69 -5.558 10.116 -4.339 1.00 0.00 C ATOM 1022 CG LYS A 69 -6.560 11.241 -4.648 1.00 0.00 C ATOM 1023 CD LYS A 69 -6.765 12.112 -3.408 1.00 0.00 C ATOM 1024 CE LYS A 69 -7.771 13.219 -3.729 1.00 0.00 C ATOM 1025 NZ LYS A 69 -8.002 14.050 -2.516 1.00 0.00 N ATOM 0 H LYS A 69 -4.514 8.927 -2.109 1.00 0.00 H new ATOM 0 HA LYS A 69 -7.243 9.255 -3.257 1.00 0.00 H new ATOM 0 HB2 LYS A 69 -4.664 10.538 -3.879 1.00 0.00 H new ATOM 0 HB3 LYS A 69 -5.244 9.640 -5.268 1.00 0.00 H new ATOM 0 HG2 LYS A 69 -6.193 11.850 -5.474 1.00 0.00 H new ATOM 0 HG3 LYS A 69 -7.512 10.815 -4.965 1.00 0.00 H new ATOM 0 HD2 LYS A 69 -7.127 11.505 -2.579 1.00 0.00 H new ATOM 0 HD3 LYS A 69 -5.816 12.547 -3.094 1.00 0.00 H new ATOM 0 HE2 LYS A 69 -7.396 13.841 -4.542 1.00 0.00 H new ATOM 0 HE3 LYS A 69 -8.711 12.783 -4.068 1.00 0.00 H new ATOM 0 HZ1 LYS A 69 -8.825 14.667 -2.669 1.00 0.00 H new ATOM 0 HZ2 LYS A 69 -8.181 13.431 -1.700 1.00 0.00 H new ATOM 0 HZ3 LYS A 69 -7.162 14.634 -2.330 1.00 0.00 H new ATOM 1039 N LYS A 70 -7.076 6.864 -4.009 1.00 0.00 N ATOM 1040 CA LYS A 70 -7.027 5.522 -4.587 1.00 0.00 C ATOM 1041 C LYS A 70 -6.824 5.565 -6.096 1.00 0.00 C ATOM 1042 O LYS A 70 -6.113 4.734 -6.663 1.00 0.00 O ATOM 1043 CB LYS A 70 -8.336 4.794 -4.307 1.00 0.00 C ATOM 1044 CG LYS A 70 -8.454 4.541 -2.811 1.00 0.00 C ATOM 1045 CD LYS A 70 -9.733 3.750 -2.512 1.00 0.00 C ATOM 1046 CE LYS A 70 -10.965 4.651 -2.657 1.00 0.00 C ATOM 1047 NZ LYS A 70 -12.142 3.975 -2.041 1.00 0.00 N ATOM 0 H LYS A 70 -7.980 7.123 -3.615 1.00 0.00 H new ATOM 0 HA LYS A 70 -6.185 5.002 -4.130 1.00 0.00 H new ATOM 0 HB2 LYS A 70 -9.180 5.390 -4.655 1.00 0.00 H new ATOM 0 HB3 LYS A 70 -8.366 3.850 -4.852 1.00 0.00 H new ATOM 0 HG2 LYS A 70 -7.584 3.988 -2.458 1.00 0.00 H new ATOM 0 HG3 LYS A 70 -8.469 5.489 -2.274 1.00 0.00 H new ATOM 0 HD2 LYS A 70 -9.812 2.903 -3.193 1.00 0.00 H new ATOM 0 HD3 LYS A 70 -9.689 3.343 -1.502 1.00 0.00 H new ATOM 0 HE2 LYS A 70 -10.787 5.611 -2.172 1.00 0.00 H new ATOM 0 HE3 LYS A 70 -11.158 4.856 -3.710 1.00 0.00 H new ATOM 0 HZ1 LYS A 70 -12.981 4.582 -2.137 1.00 0.00 H new ATOM 0 HZ2 LYS A 70 -12.314 3.069 -2.523 1.00 0.00 H new ATOM 0 HZ3 LYS A 70 -11.954 3.801 -1.033 1.00 0.00 H new ATOM 1061 N GLU A 71 -7.501 6.505 -6.746 1.00 0.00 N ATOM 1062 CA GLU A 71 -7.443 6.616 -8.195 1.00 0.00 C ATOM 1063 C GLU A 71 -6.020 6.515 -8.711 1.00 0.00 C ATOM 1064 O GLU A 71 -5.788 6.007 -9.809 1.00 0.00 O ATOM 1065 CB GLU A 71 -8.048 7.945 -8.642 1.00 0.00 C ATOM 1066 CG GLU A 71 -9.551 7.934 -8.370 1.00 0.00 C ATOM 1067 CD GLU A 71 -10.153 9.289 -8.719 1.00 0.00 C ATOM 1068 OE1 GLU A 71 -9.420 10.138 -9.198 1.00 0.00 O ATOM 1069 OE2 GLU A 71 -11.342 9.460 -8.501 1.00 0.00 O ATOM 0 H GLU A 71 -8.095 7.199 -6.292 1.00 0.00 H new ATOM 0 HA GLU A 71 -8.016 5.786 -8.610 1.00 0.00 H new ATOM 0 HB2 GLU A 71 -7.576 8.770 -8.108 1.00 0.00 H new ATOM 0 HB3 GLU A 71 -7.860 8.104 -9.704 1.00 0.00 H new ATOM 0 HG2 GLU A 71 -10.030 7.152 -8.959 1.00 0.00 H new ATOM 0 HG3 GLU A 71 -9.738 7.703 -7.321 1.00 0.00 H new ATOM 1076 N ASP A 72 -5.063 6.998 -7.924 1.00 0.00 N ATOM 1077 CA ASP A 72 -3.654 6.959 -8.318 1.00 0.00 C ATOM 1078 C ASP A 72 -2.823 6.242 -7.267 1.00 0.00 C ATOM 1079 O ASP A 72 -1.593 6.282 -7.309 1.00 0.00 O ATOM 1080 CB ASP A 72 -3.131 8.386 -8.491 1.00 0.00 C ATOM 1081 CG ASP A 72 -3.748 9.020 -9.733 1.00 0.00 C ATOM 1082 OD1 ASP A 72 -4.370 8.296 -10.495 1.00 0.00 O ATOM 1083 OD2 ASP A 72 -3.592 10.217 -9.904 1.00 0.00 O ATOM 0 H ASP A 72 -5.234 7.420 -7.012 1.00 0.00 H new ATOM 0 HA ASP A 72 -3.572 6.417 -9.260 1.00 0.00 H new ATOM 0 HB2 ASP A 72 -3.374 8.980 -7.610 1.00 0.00 H new ATOM 0 HB3 ASP A 72 -2.045 8.376 -8.579 1.00 0.00 H new ATOM 1088 N CYS A 73 -3.496 5.577 -6.327 1.00 0.00 N ATOM 1089 CA CYS A 73 -2.802 4.844 -5.269 1.00 0.00 C ATOM 1090 C CYS A 73 -1.547 5.586 -4.813 1.00 0.00 C ATOM 1091 O CYS A 73 -0.427 5.127 -5.035 1.00 0.00 O ATOM 1092 CB CYS A 73 -2.428 3.444 -5.761 1.00 0.00 C ATOM 1093 SG CYS A 73 -3.915 2.414 -5.864 1.00 0.00 S ATOM 0 H CYS A 73 -4.514 5.531 -6.277 1.00 0.00 H new ATOM 0 HA CYS A 73 -3.477 4.762 -4.417 1.00 0.00 H new ATOM 0 HB2 CYS A 73 -1.950 3.507 -6.738 1.00 0.00 H new ATOM 0 HB3 CYS A 73 -1.706 2.990 -5.082 1.00 0.00 H new ATOM 1098 N LYS A 74 -1.746 6.734 -4.175 1.00 0.00 N ATOM 1099 CA LYS A 74 -0.631 7.533 -3.693 1.00 0.00 C ATOM 1100 C LYS A 74 -1.085 8.532 -2.638 1.00 0.00 C ATOM 1101 O LYS A 74 -2.273 8.836 -2.516 1.00 0.00 O ATOM 1102 CB LYS A 74 0.028 8.272 -4.860 1.00 0.00 C ATOM 1103 CG LYS A 74 -0.970 9.236 -5.514 1.00 0.00 C ATOM 1104 CD LYS A 74 -0.320 9.879 -6.749 1.00 0.00 C ATOM 1105 CE LYS A 74 0.776 10.868 -6.330 1.00 0.00 C ATOM 1106 NZ LYS A 74 1.116 11.751 -7.482 1.00 0.00 N ATOM 0 H LYS A 74 -2.666 7.129 -3.981 1.00 0.00 H new ATOM 0 HA LYS A 74 0.094 6.860 -3.235 1.00 0.00 H new ATOM 0 HB2 LYS A 74 0.898 8.825 -4.504 1.00 0.00 H new ATOM 0 HB3 LYS A 74 0.387 7.554 -5.598 1.00 0.00 H new ATOM 0 HG2 LYS A 74 -1.875 8.701 -5.802 1.00 0.00 H new ATOM 0 HG3 LYS A 74 -1.268 10.007 -4.803 1.00 0.00 H new ATOM 0 HD2 LYS A 74 0.106 9.105 -7.387 1.00 0.00 H new ATOM 0 HD3 LYS A 74 -1.078 10.396 -7.338 1.00 0.00 H new ATOM 0 HE2 LYS A 74 0.436 11.468 -5.486 1.00 0.00 H new ATOM 0 HE3 LYS A 74 1.662 10.326 -5.999 1.00 0.00 H new ATOM 0 HZ1 LYS A 74 1.859 12.421 -7.198 1.00 0.00 H new ATOM 0 HZ2 LYS A 74 1.457 11.171 -8.275 1.00 0.00 H new ATOM 0 HZ3 LYS A 74 0.269 12.277 -7.778 1.00 0.00 H new ATOM 1120 N TYR A 75 -0.114 9.058 -1.897 1.00 0.00 N ATOM 1121 CA TYR A 75 -0.379 10.054 -0.856 1.00 0.00 C ATOM 1122 C TYR A 75 0.207 11.391 -1.280 1.00 0.00 C ATOM 1123 O TYR A 75 1.355 11.464 -1.721 1.00 0.00 O ATOM 1124 CB TYR A 75 0.254 9.622 0.482 1.00 0.00 C ATOM 1125 CG TYR A 75 -0.694 8.731 1.254 1.00 0.00 C ATOM 1126 CD1 TYR A 75 -1.707 9.305 2.031 1.00 0.00 C ATOM 1127 CD2 TYR A 75 -0.553 7.341 1.202 1.00 0.00 C ATOM 1128 CE1 TYR A 75 -2.581 8.489 2.756 1.00 0.00 C ATOM 1129 CE2 TYR A 75 -1.428 6.524 1.930 1.00 0.00 C ATOM 1130 CZ TYR A 75 -2.442 7.097 2.705 1.00 0.00 C ATOM 1131 OH TYR A 75 -3.303 6.293 3.422 1.00 0.00 O ATOM 0 H TYR A 75 0.871 8.811 -1.997 1.00 0.00 H new ATOM 0 HA TYR A 75 -1.457 10.143 -0.722 1.00 0.00 H new ATOM 0 HB2 TYR A 75 1.188 9.093 0.295 1.00 0.00 H new ATOM 0 HB3 TYR A 75 0.500 10.502 1.076 1.00 0.00 H new ATOM 0 HD1 TYR A 75 -1.814 10.379 2.071 1.00 0.00 H new ATOM 0 HD2 TYR A 75 0.228 6.898 0.602 1.00 0.00 H new ATOM 0 HE1 TYR A 75 -3.363 8.932 3.355 1.00 0.00 H new ATOM 0 HE2 TYR A 75 -1.319 5.450 1.893 1.00 0.00 H new ATOM 0 HH TYR A 75 -4.032 5.993 2.840 1.00 0.00 H new ATOM 1141 N ILE A 76 -0.583 12.445 -1.135 1.00 0.00 N ATOM 1142 CA ILE A 76 -0.142 13.789 -1.492 1.00 0.00 C ATOM 1143 C ILE A 76 -0.428 14.738 -0.340 1.00 0.00 C ATOM 1144 O ILE A 76 -1.509 14.710 0.245 1.00 0.00 O ATOM 1145 CB ILE A 76 -0.858 14.256 -2.764 1.00 0.00 C ATOM 1146 CG1 ILE A 76 -2.372 14.233 -2.547 1.00 0.00 C ATOM 1147 CG2 ILE A 76 -0.497 13.323 -3.920 1.00 0.00 C ATOM 1148 CD1 ILE A 76 -3.078 14.630 -3.844 1.00 0.00 C ATOM 0 H ILE A 76 -1.535 12.397 -0.772 1.00 0.00 H new ATOM 0 HA ILE A 76 0.931 13.780 -1.686 1.00 0.00 H new ATOM 0 HB ILE A 76 -0.545 15.273 -3.000 1.00 0.00 H new ATOM 0 HG12 ILE A 76 -2.691 13.238 -2.237 1.00 0.00 H new ATOM 0 HG13 ILE A 76 -2.646 14.920 -1.746 1.00 0.00 H new ATOM 0 HG21 ILE A 76 -1.005 13.653 -4.826 1.00 0.00 H new ATOM 0 HG22 ILE A 76 0.581 13.343 -4.081 1.00 0.00 H new ATOM 0 HG23 ILE A 76 -0.809 12.307 -3.679 1.00 0.00 H new ATOM 0 HD11 ILE A 76 -4.157 14.614 -3.691 1.00 0.00 H new ATOM 0 HD12 ILE A 76 -2.768 15.634 -4.135 1.00 0.00 H new ATOM 0 HD13 ILE A 76 -2.813 13.926 -4.633 1.00 0.00 H new ATOM 1160 N VAL A 77 0.548 15.573 -0.012 1.00 0.00 N ATOM 1161 CA VAL A 77 0.395 16.529 1.081 1.00 0.00 C ATOM 1162 C VAL A 77 0.175 17.921 0.514 1.00 0.00 C ATOM 1163 O VAL A 77 0.951 18.400 -0.312 1.00 0.00 O ATOM 1164 CB VAL A 77 1.656 16.510 1.962 1.00 0.00 C ATOM 1165 CG1 VAL A 77 1.581 15.360 2.970 1.00 0.00 C ATOM 1166 CG2 VAL A 77 2.889 16.326 1.079 1.00 0.00 C ATOM 0 H VAL A 77 1.452 15.610 -0.484 1.00 0.00 H new ATOM 0 HA VAL A 77 -0.467 16.253 1.688 1.00 0.00 H new ATOM 0 HB VAL A 77 1.724 17.454 2.503 1.00 0.00 H new ATOM 0 HG11 VAL A 77 2.479 15.358 3.587 1.00 0.00 H new ATOM 0 HG12 VAL A 77 0.705 15.490 3.605 1.00 0.00 H new ATOM 0 HG13 VAL A 77 1.505 14.413 2.436 1.00 0.00 H new ATOM 0 HG21 VAL A 77 3.784 16.312 1.702 1.00 0.00 H new ATOM 0 HG22 VAL A 77 2.810 15.384 0.536 1.00 0.00 H new ATOM 0 HG23 VAL A 77 2.954 17.150 0.369 1.00 0.00 H new ATOM 1176 N VAL A 78 -0.895 18.565 0.968 1.00 0.00 N ATOM 1177 CA VAL A 78 -1.231 19.914 0.508 1.00 0.00 C ATOM 1178 C VAL A 78 -1.474 20.823 1.704 1.00 0.00 C ATOM 1179 O VAL A 78 -1.764 20.352 2.803 1.00 0.00 O ATOM 1180 CB VAL A 78 -2.496 19.878 -0.362 1.00 0.00 C ATOM 1181 CG1 VAL A 78 -2.309 18.920 -1.553 1.00 0.00 C ATOM 1182 CG2 VAL A 78 -3.688 19.418 0.488 1.00 0.00 C ATOM 0 H VAL A 78 -1.545 18.179 1.652 1.00 0.00 H new ATOM 0 HA VAL A 78 -0.398 20.298 -0.081 1.00 0.00 H new ATOM 0 HB VAL A 78 -2.684 20.880 -0.749 1.00 0.00 H new ATOM 0 HG11 VAL A 78 -3.216 18.909 -2.157 1.00 0.00 H new ATOM 0 HG12 VAL A 78 -1.471 19.257 -2.163 1.00 0.00 H new ATOM 0 HG13 VAL A 78 -2.107 17.915 -1.183 1.00 0.00 H new ATOM 0 HG21 VAL A 78 -4.586 19.392 -0.129 1.00 0.00 H new ATOM 0 HG22 VAL A 78 -3.490 18.421 0.883 1.00 0.00 H new ATOM 0 HG23 VAL A 78 -3.835 20.113 1.315 1.00 0.00 H new ATOM 1192 N GLU A 79 -1.370 22.128 1.484 1.00 0.00 N ATOM 1193 CA GLU A 79 -1.594 23.088 2.555 1.00 0.00 C ATOM 1194 C GLU A 79 -3.041 23.003 3.031 1.00 0.00 C ATOM 1195 O GLU A 79 -3.952 22.782 2.231 1.00 0.00 O ATOM 1196 CB GLU A 79 -1.290 24.503 2.058 1.00 0.00 C ATOM 1197 CG GLU A 79 0.211 24.641 1.795 1.00 0.00 C ATOM 1198 CD GLU A 79 0.512 26.023 1.225 1.00 0.00 C ATOM 1199 OE1 GLU A 79 -0.426 26.778 1.030 1.00 0.00 O ATOM 1200 OE2 GLU A 79 1.676 26.307 0.999 1.00 0.00 O ATOM 0 H GLU A 79 -1.134 22.542 0.582 1.00 0.00 H new ATOM 0 HA GLU A 79 -0.931 22.855 3.388 1.00 0.00 H new ATOM 0 HB2 GLU A 79 -1.850 24.707 1.145 1.00 0.00 H new ATOM 0 HB3 GLU A 79 -1.609 25.236 2.799 1.00 0.00 H new ATOM 0 HG2 GLU A 79 0.767 24.491 2.721 1.00 0.00 H new ATOM 0 HG3 GLU A 79 0.539 23.871 1.097 1.00 0.00 H new ATOM 1207 N LYS A 80 -3.255 23.198 4.328 1.00 0.00 N ATOM 1208 CA LYS A 80 -4.600 23.160 4.885 1.00 0.00 C ATOM 1209 C LYS A 80 -5.383 24.400 4.463 1.00 0.00 C ATOM 1210 O LYS A 80 -6.551 24.316 4.084 1.00 0.00 O ATOM 1211 CB LYS A 80 -4.498 23.086 6.405 1.00 0.00 C ATOM 1212 CG LYS A 80 -3.991 21.699 6.804 1.00 0.00 C ATOM 1213 CD LYS A 80 -3.669 21.690 8.294 1.00 0.00 C ATOM 1214 CE LYS A 80 -3.270 20.277 8.732 1.00 0.00 C ATOM 1215 NZ LYS A 80 -4.454 19.375 8.642 1.00 0.00 N ATOM 0 H LYS A 80 -2.518 23.383 5.009 1.00 0.00 H new ATOM 0 HA LYS A 80 -5.129 22.284 4.511 1.00 0.00 H new ATOM 0 HB2 LYS A 80 -3.820 23.855 6.775 1.00 0.00 H new ATOM 0 HB3 LYS A 80 -5.472 23.275 6.857 1.00 0.00 H new ATOM 0 HG2 LYS A 80 -4.745 20.945 6.579 1.00 0.00 H new ATOM 0 HG3 LYS A 80 -3.102 21.444 6.227 1.00 0.00 H new ATOM 0 HD2 LYS A 80 -2.858 22.388 8.504 1.00 0.00 H new ATOM 0 HD3 LYS A 80 -4.535 22.026 8.864 1.00 0.00 H new ATOM 0 HE2 LYS A 80 -2.465 19.902 8.099 1.00 0.00 H new ATOM 0 HE3 LYS A 80 -2.890 20.295 9.754 1.00 0.00 H new ATOM 0 HZ1 LYS A 80 -4.196 18.428 8.987 1.00 0.00 H new ATOM 0 HZ2 LYS A 80 -5.227 19.757 9.224 1.00 0.00 H new ATOM 0 HZ3 LYS A 80 -4.766 19.309 7.652 1.00 0.00 H new ATOM 1229 N LYS A 81 -4.720 25.549 4.529 1.00 0.00 N ATOM 1230 CA LYS A 81 -5.343 26.814 4.152 1.00 0.00 C ATOM 1231 C LYS A 81 -5.749 26.800 2.685 1.00 0.00 C ATOM 1232 O LYS A 81 -6.797 27.331 2.316 1.00 0.00 O ATOM 1233 CB LYS A 81 -4.374 27.974 4.399 1.00 0.00 C ATOM 1234 CG LYS A 81 -3.015 27.653 3.771 1.00 0.00 C ATOM 1235 CD LYS A 81 -2.010 28.765 4.090 1.00 0.00 C ATOM 1236 CE LYS A 81 -2.381 30.047 3.336 1.00 0.00 C ATOM 1237 NZ LYS A 81 -1.207 30.960 3.305 1.00 0.00 N ATOM 0 H LYS A 81 -3.752 25.631 4.840 1.00 0.00 H new ATOM 0 HA LYS A 81 -6.235 26.947 4.764 1.00 0.00 H new ATOM 0 HB2 LYS A 81 -4.775 28.893 3.972 1.00 0.00 H new ATOM 0 HB3 LYS A 81 -4.260 28.144 5.470 1.00 0.00 H new ATOM 0 HG2 LYS A 81 -2.647 26.700 4.150 1.00 0.00 H new ATOM 0 HG3 LYS A 81 -3.121 27.547 2.691 1.00 0.00 H new ATOM 0 HD2 LYS A 81 -1.997 28.956 5.163 1.00 0.00 H new ATOM 0 HD3 LYS A 81 -1.005 28.448 3.811 1.00 0.00 H new ATOM 0 HE2 LYS A 81 -2.695 29.807 2.320 1.00 0.00 H new ATOM 0 HE3 LYS A 81 -3.224 30.537 3.823 1.00 0.00 H new ATOM 0 HZ1 LYS A 81 -1.457 31.830 2.794 1.00 0.00 H new ATOM 0 HZ2 LYS A 81 -0.927 31.198 4.278 1.00 0.00 H new ATOM 0 HZ3 LYS A 81 -0.415 30.490 2.822 1.00 0.00 H new ATOM 1251 N ASP A 82 -4.913 26.189 1.844 1.00 0.00 N ATOM 1252 CA ASP A 82 -5.187 26.107 0.410 1.00 0.00 C ATOM 1253 C ASP A 82 -4.807 24.714 -0.124 1.00 0.00 C ATOM 1254 O ASP A 82 -3.626 24.436 -0.329 1.00 0.00 O ATOM 1255 CB ASP A 82 -4.380 27.177 -0.328 1.00 0.00 C ATOM 1256 CG ASP A 82 -4.872 28.564 0.073 1.00 0.00 C ATOM 1257 OD1 ASP A 82 -6.060 28.702 0.318 1.00 0.00 O ATOM 1258 OD2 ASP A 82 -4.055 29.468 0.131 1.00 0.00 O ATOM 0 H ASP A 82 -4.041 25.744 2.132 1.00 0.00 H new ATOM 0 HA ASP A 82 -6.251 26.272 0.242 1.00 0.00 H new ATOM 0 HB2 ASP A 82 -3.321 27.074 -0.091 1.00 0.00 H new ATOM 0 HB3 ASP A 82 -4.480 27.043 -1.405 1.00 0.00 H new ATOM 1263 N PRO A 83 -5.761 23.826 -0.334 1.00 0.00 N ATOM 1264 CA PRO A 83 -5.468 22.445 -0.827 1.00 0.00 C ATOM 1265 C PRO A 83 -5.125 22.410 -2.315 1.00 0.00 C ATOM 1266 O PRO A 83 -4.754 21.363 -2.846 1.00 0.00 O ATOM 1267 CB PRO A 83 -6.759 21.670 -0.525 1.00 0.00 C ATOM 1268 CG PRO A 83 -7.848 22.696 -0.548 1.00 0.00 C ATOM 1269 CD PRO A 83 -7.210 24.029 -0.131 1.00 0.00 C ATOM 0 HA PRO A 83 -4.590 22.017 -0.343 1.00 0.00 H new ATOM 0 HB2 PRO A 83 -6.935 20.893 -1.269 1.00 0.00 H new ATOM 0 HB3 PRO A 83 -6.704 21.176 0.445 1.00 0.00 H new ATOM 0 HG2 PRO A 83 -8.287 22.772 -1.543 1.00 0.00 H new ATOM 0 HG3 PRO A 83 -8.652 22.422 0.135 1.00 0.00 H new ATOM 0 HD2 PRO A 83 -7.584 24.854 -0.737 1.00 0.00 H new ATOM 0 HD3 PRO A 83 -7.435 24.269 0.908 1.00 0.00 H new ATOM 1277 N LYS A 84 -5.244 23.551 -2.983 1.00 0.00 N ATOM 1278 CA LYS A 84 -4.937 23.621 -4.406 1.00 0.00 C ATOM 1279 C LYS A 84 -3.427 23.611 -4.625 1.00 0.00 C ATOM 1280 O LYS A 84 -2.951 23.436 -5.746 1.00 0.00 O ATOM 1281 CB LYS A 84 -5.532 24.892 -5.016 1.00 0.00 C ATOM 1282 CG LYS A 84 -7.060 24.822 -4.973 1.00 0.00 C ATOM 1283 CD LYS A 84 -7.649 26.097 -5.582 1.00 0.00 C ATOM 1284 CE LYS A 84 -9.177 26.034 -5.532 1.00 0.00 C ATOM 1285 NZ LYS A 84 -9.747 27.266 -6.145 1.00 0.00 N ATOM 0 H LYS A 84 -5.548 24.432 -2.568 1.00 0.00 H new ATOM 0 HA LYS A 84 -5.375 22.750 -4.893 1.00 0.00 H new ATOM 0 HB2 LYS A 84 -5.183 25.767 -4.468 1.00 0.00 H new ATOM 0 HB3 LYS A 84 -5.193 25.005 -6.046 1.00 0.00 H new ATOM 0 HG2 LYS A 84 -7.410 23.949 -5.523 1.00 0.00 H new ATOM 0 HG3 LYS A 84 -7.400 24.708 -3.944 1.00 0.00 H new ATOM 0 HD2 LYS A 84 -7.293 26.970 -5.036 1.00 0.00 H new ATOM 0 HD3 LYS A 84 -7.313 26.208 -6.613 1.00 0.00 H new ATOM 0 HE2 LYS A 84 -9.533 25.152 -6.065 1.00 0.00 H new ATOM 0 HE3 LYS A 84 -9.514 25.940 -4.500 1.00 0.00 H new ATOM 0 HZ1 LYS A 84 -10.786 27.222 -6.111 1.00 0.00 H new ATOM 0 HZ2 LYS A 84 -9.418 28.100 -5.618 1.00 0.00 H new ATOM 0 HZ3 LYS A 84 -9.436 27.337 -7.135 1.00 0.00 H new ATOM 1299 N LYS A 85 -2.678 23.807 -3.539 1.00 0.00 N ATOM 1300 CA LYS A 85 -1.212 23.827 -3.603 1.00 0.00 C ATOM 1301 C LYS A 85 -0.616 22.663 -2.818 1.00 0.00 C ATOM 1302 O LYS A 85 -1.092 22.328 -1.732 1.00 0.00 O ATOM 1303 CB LYS A 85 -0.693 25.136 -3.026 1.00 0.00 C ATOM 1304 CG LYS A 85 -1.064 26.279 -3.975 1.00 0.00 C ATOM 1305 CD LYS A 85 -0.651 27.615 -3.358 1.00 0.00 C ATOM 1306 CE LYS A 85 0.866 27.812 -3.478 1.00 0.00 C ATOM 1307 NZ LYS A 85 1.210 29.231 -3.179 1.00 0.00 N ATOM 0 H LYS A 85 -3.060 23.954 -2.605 1.00 0.00 H new ATOM 0 HA LYS A 85 -0.914 23.734 -4.647 1.00 0.00 H new ATOM 0 HB2 LYS A 85 -1.124 25.310 -2.040 1.00 0.00 H new ATOM 0 HB3 LYS A 85 0.388 25.089 -2.898 1.00 0.00 H new ATOM 0 HG2 LYS A 85 -0.568 26.142 -4.936 1.00 0.00 H new ATOM 0 HG3 LYS A 85 -2.137 26.272 -4.166 1.00 0.00 H new ATOM 0 HD2 LYS A 85 -1.171 28.431 -3.860 1.00 0.00 H new ATOM 0 HD3 LYS A 85 -0.947 27.646 -2.309 1.00 0.00 H new ATOM 0 HE2 LYS A 85 1.385 27.148 -2.787 1.00 0.00 H new ATOM 0 HE3 LYS A 85 1.199 27.550 -4.482 1.00 0.00 H new ATOM 0 HZ1 LYS A 85 2.238 29.364 -3.261 1.00 0.00 H new ATOM 0 HZ2 LYS A 85 0.726 29.855 -3.855 1.00 0.00 H new ATOM 0 HZ3 LYS A 85 0.906 29.466 -2.212 1.00 0.00 H new ATOM 1321 N THR A 86 0.431 22.053 -3.367 1.00 0.00 N ATOM 1322 CA THR A 86 1.083 20.928 -2.707 1.00 0.00 C ATOM 1323 C THR A 86 2.022 21.417 -1.608 1.00 0.00 C ATOM 1324 O THR A 86 2.354 22.600 -1.545 1.00 0.00 O ATOM 1325 CB THR A 86 1.876 20.119 -3.736 1.00 0.00 C ATOM 1326 OG1 THR A 86 2.911 20.928 -4.275 1.00 0.00 O ATOM 1327 CG2 THR A 86 0.944 19.664 -4.861 1.00 0.00 C ATOM 0 H THR A 86 0.843 22.317 -4.262 1.00 0.00 H new ATOM 0 HA THR A 86 0.316 20.299 -2.255 1.00 0.00 H new ATOM 0 HB THR A 86 2.311 19.244 -3.253 1.00 0.00 H new ATOM 0 HG1 THR A 86 3.421 20.411 -4.933 1.00 0.00 H new ATOM 0 HG21 THR A 86 1.511 19.088 -5.593 1.00 0.00 H new ATOM 0 HG22 THR A 86 0.150 19.043 -4.447 1.00 0.00 H new ATOM 0 HG23 THR A 86 0.506 20.536 -5.346 1.00 0.00 H new ATOM 1335 N CYS A 87 2.451 20.494 -0.744 1.00 0.00 N ATOM 1336 CA CYS A 87 3.362 20.826 0.361 1.00 0.00 C ATOM 1337 C CYS A 87 4.740 20.203 0.119 1.00 0.00 C ATOM 1338 O CYS A 87 4.849 19.127 -0.468 1.00 0.00 O ATOM 1339 CB CYS A 87 2.774 20.313 1.687 1.00 0.00 C ATOM 1340 SG CYS A 87 3.260 21.416 3.042 1.00 0.00 S ATOM 0 H CYS A 87 2.184 19.510 -0.786 1.00 0.00 H new ATOM 0 HA CYS A 87 3.476 21.909 0.415 1.00 0.00 H new ATOM 0 HB2 CYS A 87 1.687 20.263 1.618 1.00 0.00 H new ATOM 0 HB3 CYS A 87 3.128 19.301 1.885 1.00 0.00 H new ATOM 1345 N SER A 88 5.791 20.886 0.571 1.00 0.00 N ATOM 1346 CA SER A 88 7.151 20.382 0.387 1.00 0.00 C ATOM 1347 C SER A 88 7.408 19.174 1.284 1.00 0.00 C ATOM 1348 O SER A 88 6.847 19.064 2.374 1.00 0.00 O ATOM 1349 CB SER A 88 8.166 21.481 0.713 1.00 0.00 C ATOM 1350 OG SER A 88 8.382 21.521 2.117 1.00 0.00 O ATOM 0 H SER A 88 5.729 21.778 1.061 1.00 0.00 H new ATOM 0 HA SER A 88 7.262 20.077 -0.654 1.00 0.00 H new ATOM 0 HB2 SER A 88 9.105 21.289 0.195 1.00 0.00 H new ATOM 0 HB3 SER A 88 7.799 22.446 0.362 1.00 0.00 H new ATOM 0 HG SER A 88 9.033 22.223 2.328 1.00 0.00 H new ATOM 1356 N VAL A 89 8.266 18.269 0.815 1.00 0.00 N ATOM 1357 CA VAL A 89 8.604 17.062 1.576 1.00 0.00 C ATOM 1358 C VAL A 89 10.095 16.753 1.437 1.00 0.00 C ATOM 1359 O VAL A 89 10.649 16.824 0.341 1.00 0.00 O ATOM 1360 CB VAL A 89 7.770 15.886 1.057 1.00 0.00 C ATOM 1361 CG1 VAL A 89 7.914 14.685 1.996 1.00 0.00 C ATOM 1362 CG2 VAL A 89 6.301 16.308 0.988 1.00 0.00 C ATOM 0 H VAL A 89 8.740 18.346 -0.085 1.00 0.00 H new ATOM 0 HA VAL A 89 8.381 17.225 2.631 1.00 0.00 H new ATOM 0 HB VAL A 89 8.122 15.603 0.065 1.00 0.00 H new ATOM 0 HG11 VAL A 89 7.318 13.854 1.619 1.00 0.00 H new ATOM 0 HG12 VAL A 89 8.961 14.386 2.047 1.00 0.00 H new ATOM 0 HG13 VAL A 89 7.566 14.958 2.992 1.00 0.00 H new ATOM 0 HG21 VAL A 89 5.700 15.476 0.619 1.00 0.00 H new ATOM 0 HG22 VAL A 89 5.957 16.591 1.983 1.00 0.00 H new ATOM 0 HG23 VAL A 89 6.198 17.157 0.313 1.00 0.00 H new ATOM 1372 N SER A 90 10.737 16.403 2.547 1.00 0.00 N ATOM 1373 CA SER A 90 12.162 16.079 2.531 1.00 0.00 C ATOM 1374 C SER A 90 12.421 14.813 1.725 1.00 0.00 C ATOM 1375 O SER A 90 13.426 14.708 1.020 1.00 0.00 O ATOM 1376 CB SER A 90 12.672 15.879 3.960 1.00 0.00 C ATOM 1377 OG SER A 90 14.090 15.988 3.973 1.00 0.00 O ATOM 0 H SER A 90 10.297 16.336 3.465 1.00 0.00 H new ATOM 0 HA SER A 90 12.691 16.910 2.065 1.00 0.00 H new ATOM 0 HB2 SER A 90 12.232 16.624 4.623 1.00 0.00 H new ATOM 0 HB3 SER A 90 12.368 14.901 4.333 1.00 0.00 H new ATOM 0 HG SER A 90 14.419 15.862 4.887 1.00 0.00 H new ATOM 1383 N GLU A 91 11.512 13.851 1.842 1.00 0.00 N ATOM 1384 CA GLU A 91 11.664 12.593 1.123 1.00 0.00 C ATOM 1385 C GLU A 91 10.413 11.726 1.230 1.00 0.00 C ATOM 1386 O GLU A 91 9.561 11.946 2.091 1.00 0.00 O ATOM 1387 CB GLU A 91 12.872 11.834 1.686 1.00 0.00 C ATOM 1388 CG GLU A 91 12.581 11.378 3.119 1.00 0.00 C ATOM 1389 CD GLU A 91 13.838 10.773 3.737 1.00 0.00 C ATOM 1390 OE1 GLU A 91 14.858 11.444 3.737 1.00 0.00 O ATOM 1391 OE2 GLU A 91 13.763 9.647 4.198 1.00 0.00 O ATOM 0 H GLU A 91 10.674 13.916 2.419 1.00 0.00 H new ATOM 0 HA GLU A 91 11.819 12.819 0.068 1.00 0.00 H new ATOM 0 HB2 GLU A 91 13.094 10.971 1.059 1.00 0.00 H new ATOM 0 HB3 GLU A 91 13.754 12.474 1.671 1.00 0.00 H new ATOM 0 HG2 GLU A 91 12.242 12.224 3.717 1.00 0.00 H new ATOM 0 HG3 GLU A 91 11.775 10.644 3.120 1.00 0.00 H new ATOM 1398 N TRP A 92 10.318 10.729 0.347 1.00 0.00 N ATOM 1399 CA TRP A 92 9.184 9.801 0.331 1.00 0.00 C ATOM 1400 C TRP A 92 9.682 8.368 0.523 1.00 0.00 C ATOM 1401 O TRP A 92 10.756 8.009 0.041 1.00 0.00 O ATOM 1402 CB TRP A 92 8.444 9.906 -1.006 1.00 0.00 C ATOM 1403 CG TRP A 92 7.822 11.258 -1.134 1.00 0.00 C ATOM 1404 CD1 TRP A 92 8.481 12.392 -1.471 1.00 0.00 C ATOM 1405 CD2 TRP A 92 6.430 11.634 -0.942 1.00 0.00 C ATOM 1406 NE1 TRP A 92 7.579 13.441 -1.493 1.00 0.00 N ATOM 1407 CE2 TRP A 92 6.300 13.022 -1.177 1.00 0.00 C ATOM 1408 CE3 TRP A 92 5.277 10.907 -0.593 1.00 0.00 C ATOM 1409 CZ2 TRP A 92 5.069 13.670 -1.065 1.00 0.00 C ATOM 1410 CZ3 TRP A 92 4.037 11.555 -0.481 1.00 0.00 C ATOM 1411 CH2 TRP A 92 3.933 12.933 -0.718 1.00 0.00 C ATOM 0 H TRP A 92 11.018 10.543 -0.371 1.00 0.00 H new ATOM 0 HA TRP A 92 8.504 10.060 1.143 1.00 0.00 H new ATOM 0 HB2 TRP A 92 9.137 9.735 -1.830 1.00 0.00 H new ATOM 0 HB3 TRP A 92 7.676 9.135 -1.069 1.00 0.00 H new ATOM 0 HD1 TRP A 92 9.537 12.465 -1.687 1.00 0.00 H new ATOM 0 HE1 TRP A 92 7.827 14.405 -1.715 1.00 0.00 H new ATOM 0 HE3 TRP A 92 5.346 9.845 -0.410 1.00 0.00 H new ATOM 0 HZ2 TRP A 92 4.995 14.732 -1.245 1.00 0.00 H new ATOM 0 HZ3 TRP A 92 3.158 10.989 -0.211 1.00 0.00 H new ATOM 0 HH2 TRP A 92 2.975 13.425 -0.632 1.00 0.00 H new ATOM 1422 N ILE A 93 8.897 7.553 1.229 1.00 0.00 N ATOM 1423 CA ILE A 93 9.275 6.154 1.477 1.00 0.00 C ATOM 1424 C ILE A 93 8.431 5.217 0.617 1.00 0.00 C ATOM 1425 O ILE A 93 7.201 5.252 0.666 1.00 0.00 O ATOM 1426 CB ILE A 93 9.066 5.805 2.951 1.00 0.00 C ATOM 1427 CG1 ILE A 93 9.836 6.797 3.825 1.00 0.00 C ATOM 1428 CG2 ILE A 93 9.582 4.388 3.221 1.00 0.00 C ATOM 1429 CD1 ILE A 93 9.438 6.603 5.289 1.00 0.00 C ATOM 0 H ILE A 93 8.004 7.830 1.637 1.00 0.00 H new ATOM 0 HA ILE A 93 10.327 6.032 1.219 1.00 0.00 H new ATOM 0 HB ILE A 93 8.003 5.858 3.187 1.00 0.00 H new ATOM 0 HG12 ILE A 93 10.909 6.646 3.706 1.00 0.00 H new ATOM 0 HG13 ILE A 93 9.621 7.818 3.511 1.00 0.00 H new ATOM 0 HG21 ILE A 93 9.432 4.140 4.272 1.00 0.00 H new ATOM 0 HG22 ILE A 93 9.037 3.678 2.600 1.00 0.00 H new ATOM 0 HG23 ILE A 93 10.645 4.336 2.984 1.00 0.00 H new ATOM 0 HD11 ILE A 93 9.986 7.310 5.912 1.00 0.00 H new ATOM 0 HD12 ILE A 93 8.368 6.775 5.401 1.00 0.00 H new ATOM 0 HD13 ILE A 93 9.676 5.585 5.599 1.00 0.00 H new ATOM 1441 N ILE A 94 9.101 4.381 -0.164 1.00 0.00 N ATOM 1442 CA ILE A 94 8.405 3.435 -1.035 1.00 0.00 C ATOM 1443 C ILE A 94 9.337 2.300 -1.446 1.00 0.00 C ATOM 1444 O ILE A 94 8.890 1.166 -1.446 1.00 0.00 O ATOM 1445 CB ILE A 94 7.889 4.169 -2.279 1.00 0.00 C ATOM 1446 CG1 ILE A 94 7.116 3.201 -3.190 1.00 0.00 C ATOM 1447 CG2 ILE A 94 9.073 4.754 -3.049 1.00 0.00 C ATOM 1448 CD1 ILE A 94 5.908 2.611 -2.450 1.00 0.00 C ATOM 1449 OXT ILE A 94 10.481 2.582 -1.759 1.00 0.00 O ATOM 0 H ILE A 94 10.119 4.336 -0.215 1.00 0.00 H new ATOM 0 HA ILE A 94 7.563 3.007 -0.491 1.00 0.00 H new ATOM 0 HB ILE A 94 7.218 4.969 -1.965 1.00 0.00 H new ATOM 0 HG12 ILE A 94 6.781 3.725 -4.085 1.00 0.00 H new ATOM 0 HG13 ILE A 94 7.775 2.398 -3.519 1.00 0.00 H new ATOM 0 HG21 ILE A 94 8.709 5.276 -3.934 1.00 0.00 H new ATOM 0 HG22 ILE A 94 9.612 5.454 -2.411 1.00 0.00 H new ATOM 0 HG23 ILE A 94 9.743 3.950 -3.352 1.00 0.00 H new ATOM 0 HD11 ILE A 94 5.374 1.929 -3.111 1.00 0.00 H new ATOM 0 HD12 ILE A 94 6.251 2.069 -1.569 1.00 0.00 H new ATOM 0 HD13 ILE A 94 5.240 3.416 -2.144 1.00 0.00 H new