USER MOD reduce.3.24.130724 H: found=0, std=0, add=530, rem=0, adj=10 USER MOD reduce.3.24.130724 removed 532 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 13 TYR OH : rot -146:sc= -2.24! USER MOD Set 1.2: A 34 THR OG1 : rot -80:sc= 1.31 USER MOD Single : A 2 SER OG : rot 170:sc= -3.26! USER MOD Single : A 7 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 12 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 16 LYS NZ :NH3+ -115:sc= -0.26 (180deg=-0.648) USER MOD Single : A 21 ASN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 22 GLN : amide:sc= -9.22! C(o=-9.2!,f=-6.9!) USER MOD Single : A 24 SER OG : rot -102:sc= 0.579 USER MOD Single : A 25 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 29 LYS NZ :NH3+ -139:sc= 0.211 (180deg=0) USER MOD Single : A 33 GLN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 38 SER OG : rot -17:sc= 0.255! USER MOD Single : A 55 LYS NZ :NH3+ 170:sc= -0.0854 (180deg=-0.158) USER MOD Single : A 56 ASN : amide:sc= -2.82! C(o=-2.8!,f=-9.3!) USER MOD Single : A 62 SER OG : rot 180:sc=0.000587 USER MOD Single : A 67 GLN : amide:sc= -1.91! C(o=-1.9!,f=-8.7!) USER MOD Single : A 71 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 72 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 74 SER OG : rot 180:sc= 0 USER MOD Single : A 75 GLN : amide:sc= -2.05 K(o=-2,f=-6.2!) USER MOD ----------------------------------------------------------------- ATOM 40 N SER A 2 10.873 6.816 6.333 1.00 0.00 N ATOM 41 CA SER A 2 11.226 7.212 7.718 1.00 0.00 C ATOM 42 C SER A 2 12.233 6.189 8.268 1.00 0.00 C ATOM 43 O SER A 2 12.625 5.286 7.557 1.00 0.00 O ATOM 44 CB SER A 2 9.946 7.244 8.555 1.00 0.00 C ATOM 45 OG SER A 2 9.876 6.076 9.360 1.00 0.00 O ATOM 0 HA SER A 2 11.682 8.202 7.749 1.00 0.00 H new ATOM 0 HB2 SER A 2 9.933 8.134 9.185 1.00 0.00 H new ATOM 0 HB3 SER A 2 9.074 7.302 7.903 1.00 0.00 H new ATOM 0 HG SER A 2 9.147 6.169 10.009 1.00 0.00 H new ATOM 51 N PRO A 3 12.640 6.362 9.501 1.00 0.00 N ATOM 52 CA PRO A 3 13.625 5.462 10.135 1.00 0.00 C ATOM 53 C PRO A 3 13.224 3.975 9.989 1.00 0.00 C ATOM 54 O PRO A 3 12.659 3.403 10.899 1.00 0.00 O ATOM 55 CB PRO A 3 13.622 5.876 11.612 1.00 0.00 C ATOM 56 CG PRO A 3 12.830 7.202 11.725 1.00 0.00 C ATOM 57 CD PRO A 3 12.159 7.457 10.369 1.00 0.00 C ATOM 0 HA PRO A 3 14.607 5.549 9.670 1.00 0.00 H new ATOM 0 HB2 PRO A 3 13.162 5.102 12.226 1.00 0.00 H new ATOM 0 HB3 PRO A 3 14.641 6.007 11.975 1.00 0.00 H new ATOM 0 HG2 PRO A 3 12.083 7.136 12.516 1.00 0.00 H new ATOM 0 HG3 PRO A 3 13.496 8.025 11.984 1.00 0.00 H new ATOM 0 HD2 PRO A 3 11.073 7.445 10.456 1.00 0.00 H new ATOM 0 HD3 PRO A 3 12.436 8.432 9.967 1.00 0.00 H new ATOM 65 N GLU A 4 13.516 3.338 8.862 1.00 0.00 N ATOM 66 CA GLU A 4 13.162 1.895 8.690 1.00 0.00 C ATOM 67 C GLU A 4 11.647 1.727 8.596 1.00 0.00 C ATOM 68 O GLU A 4 11.057 0.931 9.298 1.00 0.00 O ATOM 69 CB GLU A 4 13.704 1.071 9.867 1.00 0.00 C ATOM 70 CG GLU A 4 15.214 0.875 9.706 1.00 0.00 C ATOM 71 CD GLU A 4 15.641 -0.408 10.422 1.00 0.00 C ATOM 72 OE1 GLU A 4 14.779 -1.229 10.690 1.00 0.00 O ATOM 73 OE2 GLU A 4 16.824 -0.549 10.691 1.00 0.00 O ATOM 0 H GLU A 4 13.983 3.764 8.062 1.00 0.00 H new ATOM 0 HA GLU A 4 13.615 1.536 7.766 1.00 0.00 H new ATOM 0 HB2 GLU A 4 13.491 1.579 10.808 1.00 0.00 H new ATOM 0 HB3 GLU A 4 13.204 0.103 9.907 1.00 0.00 H new ATOM 0 HG2 GLU A 4 15.473 0.818 8.649 1.00 0.00 H new ATOM 0 HG3 GLU A 4 15.749 1.730 10.120 1.00 0.00 H new ATOM 80 N GLU A 5 11.014 2.459 7.721 1.00 0.00 N ATOM 81 CA GLU A 5 9.537 2.323 7.572 1.00 0.00 C ATOM 82 C GLU A 5 9.201 1.932 6.134 1.00 0.00 C ATOM 83 O GLU A 5 8.147 1.393 5.857 1.00 0.00 O ATOM 84 CB GLU A 5 8.862 3.637 7.905 1.00 0.00 C ATOM 85 CG GLU A 5 7.716 3.387 8.888 1.00 0.00 C ATOM 86 CD GLU A 5 6.994 4.704 9.183 1.00 0.00 C ATOM 87 OE1 GLU A 5 7.026 5.577 8.333 1.00 0.00 O ATOM 88 OE2 GLU A 5 6.419 4.813 10.254 1.00 0.00 O ATOM 0 H GLU A 5 11.453 3.143 7.105 1.00 0.00 H new ATOM 0 HA GLU A 5 9.180 1.551 8.254 1.00 0.00 H new ATOM 0 HB2 GLU A 5 9.584 4.329 8.339 1.00 0.00 H new ATOM 0 HB3 GLU A 5 8.481 4.103 6.996 1.00 0.00 H new ATOM 0 HG2 GLU A 5 7.016 2.663 8.470 1.00 0.00 H new ATOM 0 HG3 GLU A 5 8.104 2.958 9.812 1.00 0.00 H new ATOM 95 N LEU A 6 10.084 2.207 5.213 1.00 0.00 N ATOM 96 CA LEU A 6 9.810 1.863 3.800 1.00 0.00 C ATOM 97 C LEU A 6 9.789 0.355 3.662 1.00 0.00 C ATOM 98 O LEU A 6 8.847 -0.229 3.165 1.00 0.00 O ATOM 99 CB LEU A 6 10.913 2.408 2.903 1.00 0.00 C ATOM 100 CG LEU A 6 10.280 3.072 1.706 1.00 0.00 C ATOM 101 CD1 LEU A 6 11.376 3.578 0.765 1.00 0.00 C ATOM 102 CD2 LEU A 6 9.383 2.074 0.968 1.00 0.00 C ATOM 0 H LEU A 6 10.984 2.656 5.384 1.00 0.00 H new ATOM 0 HA LEU A 6 8.854 2.296 3.507 1.00 0.00 H new ATOM 0 HB2 LEU A 6 11.527 3.123 3.451 1.00 0.00 H new ATOM 0 HB3 LEU A 6 11.572 1.601 2.583 1.00 0.00 H new ATOM 0 HG LEU A 6 9.673 3.913 2.041 1.00 0.00 H new ATOM 0 HD11 LEU A 6 10.919 4.058 -0.101 1.00 0.00 H new ATOM 0 HD12 LEU A 6 12.003 4.298 1.291 1.00 0.00 H new ATOM 0 HD13 LEU A 6 11.987 2.739 0.434 1.00 0.00 H new ATOM 0 HD21 LEU A 6 8.930 2.561 0.105 1.00 0.00 H new ATOM 0 HD22 LEU A 6 9.981 1.226 0.633 1.00 0.00 H new ATOM 0 HD23 LEU A 6 8.599 1.723 1.640 1.00 0.00 H new ATOM 114 N LYS A 7 10.833 -0.281 4.094 1.00 0.00 N ATOM 115 CA LYS A 7 10.884 -1.756 3.985 1.00 0.00 C ATOM 116 C LYS A 7 10.106 -2.373 5.148 1.00 0.00 C ATOM 117 O LYS A 7 10.041 -3.576 5.300 1.00 0.00 O ATOM 118 CB LYS A 7 12.338 -2.208 4.011 1.00 0.00 C ATOM 119 CG LYS A 7 12.530 -3.311 2.969 1.00 0.00 C ATOM 120 CD LYS A 7 13.989 -3.762 2.959 1.00 0.00 C ATOM 121 CE LYS A 7 14.267 -4.572 4.220 1.00 0.00 C ATOM 122 NZ LYS A 7 15.216 -5.678 3.905 1.00 0.00 N ATOM 0 H LYS A 7 11.652 0.156 4.517 1.00 0.00 H new ATOM 0 HA LYS A 7 10.431 -2.082 3.049 1.00 0.00 H new ATOM 0 HB2 LYS A 7 12.998 -1.368 3.797 1.00 0.00 H new ATOM 0 HB3 LYS A 7 12.601 -2.576 5.003 1.00 0.00 H new ATOM 0 HG2 LYS A 7 11.880 -4.156 3.196 1.00 0.00 H new ATOM 0 HG3 LYS A 7 12.246 -2.946 1.982 1.00 0.00 H new ATOM 0 HD2 LYS A 7 14.191 -4.364 2.073 1.00 0.00 H new ATOM 0 HD3 LYS A 7 14.650 -2.897 2.914 1.00 0.00 H new ATOM 0 HE2 LYS A 7 14.687 -3.928 4.993 1.00 0.00 H new ATOM 0 HE3 LYS A 7 13.336 -4.979 4.615 1.00 0.00 H new ATOM 0 HZ1 LYS A 7 15.405 -6.230 4.766 1.00 0.00 H new ATOM 0 HZ2 LYS A 7 14.799 -6.298 3.181 1.00 0.00 H new ATOM 0 HZ3 LYS A 7 16.107 -5.279 3.547 1.00 0.00 H new ATOM 136 N GLY A 8 9.506 -1.550 5.969 1.00 0.00 N ATOM 137 CA GLY A 8 8.724 -2.079 7.120 1.00 0.00 C ATOM 138 C GLY A 8 7.294 -2.370 6.668 1.00 0.00 C ATOM 139 O GLY A 8 6.704 -3.359 7.051 1.00 0.00 O ATOM 0 H GLY A 8 9.525 -0.533 5.890 1.00 0.00 H new ATOM 0 HA2 GLY A 8 9.189 -2.988 7.503 1.00 0.00 H new ATOM 0 HA3 GLY A 8 8.720 -1.355 7.935 1.00 0.00 H new ATOM 143 N ILE A 9 6.730 -1.525 5.845 1.00 0.00 N ATOM 144 CA ILE A 9 5.341 -1.785 5.373 1.00 0.00 C ATOM 145 C ILE A 9 5.366 -2.978 4.441 1.00 0.00 C ATOM 146 O ILE A 9 4.681 -3.952 4.632 1.00 0.00 O ATOM 147 CB ILE A 9 4.791 -0.568 4.627 1.00 0.00 C ATOM 148 CG1 ILE A 9 3.500 -0.955 3.896 1.00 0.00 C ATOM 149 CG2 ILE A 9 5.820 0.012 3.649 1.00 0.00 C ATOM 150 CD1 ILE A 9 3.817 -1.692 2.606 1.00 0.00 C ATOM 0 H ILE A 9 7.166 -0.677 5.484 1.00 0.00 H new ATOM 0 HA ILE A 9 4.698 -1.984 6.231 1.00 0.00 H new ATOM 0 HB ILE A 9 4.572 0.212 5.357 1.00 0.00 H new ATOM 0 HG12 ILE A 9 2.886 -1.585 4.540 1.00 0.00 H new ATOM 0 HG13 ILE A 9 2.918 -0.060 3.676 1.00 0.00 H new ATOM 0 HG21 ILE A 9 5.391 0.875 3.139 1.00 0.00 H new ATOM 0 HG22 ILE A 9 6.710 0.320 4.198 1.00 0.00 H new ATOM 0 HG23 ILE A 9 6.091 -0.746 2.914 1.00 0.00 H new ATOM 0 HD11 ILE A 9 2.888 -1.958 2.101 1.00 0.00 H new ATOM 0 HD12 ILE A 9 4.411 -1.049 1.956 1.00 0.00 H new ATOM 0 HD13 ILE A 9 4.379 -2.598 2.833 1.00 0.00 H new ATOM 162 N PHE A 10 6.151 -2.902 3.427 1.00 0.00 N ATOM 163 CA PHE A 10 6.230 -4.034 2.477 1.00 0.00 C ATOM 164 C PHE A 10 6.256 -5.400 3.184 1.00 0.00 C ATOM 165 O PHE A 10 5.266 -6.097 3.245 1.00 0.00 O ATOM 166 CB PHE A 10 7.467 -3.875 1.597 1.00 0.00 C ATOM 167 CG PHE A 10 7.098 -3.665 0.159 1.00 0.00 C ATOM 168 CD1 PHE A 10 5.839 -3.194 -0.241 1.00 0.00 C ATOM 169 CD2 PHE A 10 8.029 -4.061 -0.792 1.00 0.00 C ATOM 170 CE1 PHE A 10 5.530 -3.135 -1.606 1.00 0.00 C ATOM 171 CE2 PHE A 10 7.730 -3.979 -2.136 1.00 0.00 C ATOM 172 CZ PHE A 10 6.487 -3.529 -2.551 1.00 0.00 C ATOM 0 H PHE A 10 6.747 -2.104 3.207 1.00 0.00 H new ATOM 0 HA PHE A 10 5.328 -4.012 1.865 1.00 0.00 H new ATOM 0 HB2 PHE A 10 8.058 -3.030 1.949 1.00 0.00 H new ATOM 0 HB3 PHE A 10 8.094 -4.762 1.686 1.00 0.00 H new ATOM 0 HD1 PHE A 10 5.115 -2.880 0.496 1.00 0.00 H new ATOM 0 HD2 PHE A 10 8.992 -4.435 -0.478 1.00 0.00 H new ATOM 0 HE1 PHE A 10 4.560 -2.788 -1.928 1.00 0.00 H new ATOM 0 HE2 PHE A 10 8.469 -4.267 -2.869 1.00 0.00 H new ATOM 0 HZ PHE A 10 6.255 -3.482 -3.605 1.00 0.00 H new ATOM 182 N GLU A 11 7.372 -5.794 3.710 1.00 0.00 N ATOM 183 CA GLU A 11 7.455 -7.124 4.400 1.00 0.00 C ATOM 184 C GLU A 11 6.328 -7.254 5.427 1.00 0.00 C ATOM 185 O GLU A 11 6.027 -8.319 5.920 1.00 0.00 O ATOM 186 CB GLU A 11 8.800 -7.235 5.115 1.00 0.00 C ATOM 187 CG GLU A 11 9.927 -7.204 4.084 1.00 0.00 C ATOM 188 CD GLU A 11 10.934 -8.308 4.401 1.00 0.00 C ATOM 189 OE1 GLU A 11 10.538 -9.462 4.400 1.00 0.00 O ATOM 190 OE2 GLU A 11 12.085 -7.981 4.640 1.00 0.00 O ATOM 0 H GLU A 11 8.240 -5.259 3.698 1.00 0.00 H new ATOM 0 HA GLU A 11 7.358 -7.918 3.660 1.00 0.00 H new ATOM 0 HB2 GLU A 11 8.917 -6.414 5.823 1.00 0.00 H new ATOM 0 HB3 GLU A 11 8.843 -8.160 5.690 1.00 0.00 H new ATOM 0 HG2 GLU A 11 9.522 -7.343 3.082 1.00 0.00 H new ATOM 0 HG3 GLU A 11 10.420 -6.232 4.097 1.00 0.00 H new ATOM 197 N LYS A 12 5.713 -6.165 5.744 1.00 0.00 N ATOM 198 CA LYS A 12 4.588 -6.171 6.726 1.00 0.00 C ATOM 199 C LYS A 12 3.288 -6.492 5.990 1.00 0.00 C ATOM 200 O LYS A 12 2.861 -7.627 5.918 1.00 0.00 O ATOM 201 CB LYS A 12 4.494 -4.803 7.410 1.00 0.00 C ATOM 202 CG LYS A 12 3.235 -4.739 8.275 1.00 0.00 C ATOM 203 CD LYS A 12 3.601 -5.019 9.733 1.00 0.00 C ATOM 204 CE LYS A 12 2.534 -5.917 10.359 1.00 0.00 C ATOM 205 NZ LYS A 12 1.876 -5.193 11.483 1.00 0.00 N ATOM 0 H LYS A 12 5.939 -5.247 5.362 1.00 0.00 H new ATOM 0 HA LYS A 12 4.763 -6.928 7.490 1.00 0.00 H new ATOM 0 HB2 LYS A 12 5.377 -4.633 8.025 1.00 0.00 H new ATOM 0 HB3 LYS A 12 4.471 -4.012 6.660 1.00 0.00 H new ATOM 0 HG2 LYS A 12 2.771 -3.756 8.188 1.00 0.00 H new ATOM 0 HG3 LYS A 12 2.504 -5.469 7.926 1.00 0.00 H new ATOM 0 HD2 LYS A 12 4.577 -5.501 9.789 1.00 0.00 H new ATOM 0 HD3 LYS A 12 3.676 -4.083 10.287 1.00 0.00 H new ATOM 0 HE2 LYS A 12 1.794 -6.198 9.610 1.00 0.00 H new ATOM 0 HE3 LYS A 12 2.987 -6.840 10.722 1.00 0.00 H new ATOM 0 HZ1 LYS A 12 1.150 -5.802 11.910 1.00 0.00 H new ATOM 0 HZ2 LYS A 12 2.587 -4.946 12.201 1.00 0.00 H new ATOM 0 HZ3 LYS A 12 1.431 -4.324 11.123 1.00 0.00 H new ATOM 219 N TYR A 13 2.660 -5.486 5.435 1.00 0.00 N ATOM 220 CA TYR A 13 1.391 -5.710 4.694 1.00 0.00 C ATOM 221 C TYR A 13 1.703 -6.285 3.313 1.00 0.00 C ATOM 222 O TYR A 13 0.958 -7.092 2.795 1.00 0.00 O ATOM 223 CB TYR A 13 0.658 -4.383 4.511 1.00 0.00 C ATOM 224 CG TYR A 13 0.680 -3.594 5.798 1.00 0.00 C ATOM 225 CD1 TYR A 13 0.460 -4.237 7.021 1.00 0.00 C ATOM 226 CD2 TYR A 13 0.920 -2.216 5.763 1.00 0.00 C ATOM 227 CE1 TYR A 13 0.479 -3.498 8.212 1.00 0.00 C ATOM 228 CE2 TYR A 13 0.941 -1.478 6.952 1.00 0.00 C ATOM 229 CZ TYR A 13 0.722 -2.119 8.177 1.00 0.00 C ATOM 230 OH TYR A 13 0.744 -1.392 9.349 1.00 0.00 O ATOM 0 H TYR A 13 2.977 -4.517 5.466 1.00 0.00 H new ATOM 0 HA TYR A 13 0.768 -6.403 5.260 1.00 0.00 H new ATOM 0 HB2 TYR A 13 1.128 -3.806 3.714 1.00 0.00 H new ATOM 0 HB3 TYR A 13 -0.372 -4.567 4.206 1.00 0.00 H new ATOM 0 HD1 TYR A 13 0.276 -5.301 7.047 1.00 0.00 H new ATOM 0 HD2 TYR A 13 1.089 -1.722 4.818 1.00 0.00 H new ATOM 0 HE1 TYR A 13 0.306 -3.992 9.157 1.00 0.00 H new ATOM 0 HE2 TYR A 13 1.126 -0.414 6.924 1.00 0.00 H new ATOM 0 HH TYR A 13 0.388 -0.494 9.184 1.00 0.00 H new ATOM 240 N ALA A 14 2.798 -5.894 2.705 1.00 0.00 N ATOM 241 CA ALA A 14 3.111 -6.464 1.367 1.00 0.00 C ATOM 242 C ALA A 14 3.508 -7.926 1.545 1.00 0.00 C ATOM 243 O ALA A 14 3.722 -8.622 0.583 1.00 0.00 O ATOM 244 CB ALA A 14 4.277 -5.703 0.698 1.00 0.00 C ATOM 0 H ALA A 14 3.471 -5.221 3.071 1.00 0.00 H new ATOM 0 HA ALA A 14 2.231 -6.374 0.730 1.00 0.00 H new ATOM 0 HB1 ALA A 14 4.484 -6.141 -0.278 1.00 0.00 H new ATOM 0 HB2 ALA A 14 4.004 -4.655 0.575 1.00 0.00 H new ATOM 0 HB3 ALA A 14 5.166 -5.776 1.324 1.00 0.00 H new ATOM 250 N ASP A 15 3.621 -8.390 2.776 1.00 0.00 N ATOM 251 CA ASP A 15 4.037 -9.806 3.020 1.00 0.00 C ATOM 252 C ASP A 15 2.835 -10.653 3.434 1.00 0.00 C ATOM 253 O ASP A 15 2.878 -11.867 3.393 1.00 0.00 O ATOM 254 CB ASP A 15 5.077 -9.853 4.144 1.00 0.00 C ATOM 255 CG ASP A 15 5.764 -11.220 4.153 1.00 0.00 C ATOM 256 OD1 ASP A 15 5.061 -12.216 4.097 1.00 0.00 O ATOM 257 OD2 ASP A 15 6.981 -11.248 4.218 1.00 0.00 O ATOM 0 H ASP A 15 3.441 -7.843 3.618 1.00 0.00 H new ATOM 0 HA ASP A 15 4.460 -10.202 2.097 1.00 0.00 H new ATOM 0 HB2 ASP A 15 5.816 -9.065 4.002 1.00 0.00 H new ATOM 0 HB3 ASP A 15 4.597 -9.670 5.105 1.00 0.00 H new ATOM 262 N LYS A 16 1.768 -10.032 3.843 1.00 0.00 N ATOM 263 CA LYS A 16 0.579 -10.809 4.271 1.00 0.00 C ATOM 264 C LYS A 16 0.320 -11.941 3.276 1.00 0.00 C ATOM 265 O LYS A 16 -0.137 -13.009 3.633 1.00 0.00 O ATOM 266 CB LYS A 16 -0.618 -9.868 4.325 1.00 0.00 C ATOM 267 CG LYS A 16 -1.166 -9.641 2.918 1.00 0.00 C ATOM 268 CD LYS A 16 -1.899 -8.307 2.872 1.00 0.00 C ATOM 269 CE LYS A 16 -3.405 -8.557 2.927 1.00 0.00 C ATOM 270 NZ LYS A 16 -3.915 -8.787 1.547 1.00 0.00 N ATOM 0 H LYS A 16 1.669 -9.018 3.899 1.00 0.00 H new ATOM 0 HA LYS A 16 0.746 -11.246 5.255 1.00 0.00 H new ATOM 0 HB2 LYS A 16 -1.394 -10.290 4.963 1.00 0.00 H new ATOM 0 HB3 LYS A 16 -0.324 -8.916 4.768 1.00 0.00 H new ATOM 0 HG2 LYS A 16 -0.352 -9.647 2.193 1.00 0.00 H new ATOM 0 HG3 LYS A 16 -1.843 -10.450 2.644 1.00 0.00 H new ATOM 0 HD2 LYS A 16 -1.592 -7.681 3.710 1.00 0.00 H new ATOM 0 HD3 LYS A 16 -1.641 -7.768 1.960 1.00 0.00 H new ATOM 0 HE2 LYS A 16 -3.619 -9.422 3.555 1.00 0.00 H new ATOM 0 HE3 LYS A 16 -3.911 -7.703 3.377 1.00 0.00 H new ATOM 0 HZ1 LYS A 16 -4.565 -8.019 1.285 1.00 0.00 H new ATOM 0 HZ2 LYS A 16 -3.117 -8.808 0.881 1.00 0.00 H new ATOM 0 HZ3 LYS A 16 -4.420 -9.695 1.510 1.00 0.00 H new ATOM 284 N GLU A 17 0.618 -11.707 2.033 1.00 0.00 N ATOM 285 CA GLU A 17 0.405 -12.758 0.997 1.00 0.00 C ATOM 286 C GLU A 17 1.758 -13.365 0.617 1.00 0.00 C ATOM 287 O GLU A 17 2.174 -13.313 -0.523 1.00 0.00 O ATOM 288 CB GLU A 17 -0.242 -12.131 -0.241 1.00 0.00 C ATOM 289 CG GLU A 17 0.759 -11.194 -0.923 1.00 0.00 C ATOM 290 CD GLU A 17 0.948 -11.610 -2.384 1.00 0.00 C ATOM 291 OE1 GLU A 17 0.281 -12.539 -2.810 1.00 0.00 O ATOM 292 OE2 GLU A 17 1.759 -10.992 -3.055 1.00 0.00 O ATOM 0 H GLU A 17 1.002 -10.829 1.684 1.00 0.00 H new ATOM 0 HA GLU A 17 -0.250 -13.536 1.389 1.00 0.00 H new ATOM 0 HB2 GLU A 17 -0.556 -12.911 -0.934 1.00 0.00 H new ATOM 0 HB3 GLU A 17 -1.137 -11.578 0.044 1.00 0.00 H new ATOM 0 HG2 GLU A 17 0.401 -10.166 -0.872 1.00 0.00 H new ATOM 0 HG3 GLU A 17 1.715 -11.225 -0.400 1.00 0.00 H new ATOM 299 N GLY A 18 2.450 -13.936 1.568 1.00 0.00 N ATOM 300 CA GLY A 18 3.780 -14.540 1.266 1.00 0.00 C ATOM 301 C GLY A 18 4.771 -13.424 0.935 1.00 0.00 C ATOM 302 O GLY A 18 5.187 -12.679 1.800 1.00 0.00 O ATOM 0 H GLY A 18 2.151 -14.010 2.540 1.00 0.00 H new ATOM 0 HA2 GLY A 18 4.134 -15.117 2.121 1.00 0.00 H new ATOM 0 HA3 GLY A 18 3.698 -15.231 0.427 1.00 0.00 H new ATOM 306 N ASP A 19 5.151 -13.307 -0.310 1.00 0.00 N ATOM 307 CA ASP A 19 6.117 -12.233 -0.709 1.00 0.00 C ATOM 308 C ASP A 19 5.804 -10.948 0.065 1.00 0.00 C ATOM 309 O ASP A 19 4.664 -10.577 0.198 1.00 0.00 O ATOM 310 CB ASP A 19 6.011 -11.966 -2.233 1.00 0.00 C ATOM 311 CG ASP A 19 6.076 -10.471 -2.536 1.00 0.00 C ATOM 312 OD1 ASP A 19 5.131 -9.782 -2.195 1.00 0.00 O ATOM 313 OD2 ASP A 19 7.070 -10.040 -3.099 1.00 0.00 O ATOM 0 H ASP A 19 4.835 -13.908 -1.071 1.00 0.00 H new ATOM 0 HA ASP A 19 7.131 -12.558 -0.475 1.00 0.00 H new ATOM 0 HB2 ASP A 19 6.819 -12.481 -2.752 1.00 0.00 H new ATOM 0 HB3 ASP A 19 5.076 -12.377 -2.613 1.00 0.00 H new ATOM 318 N GLY A 20 6.821 -10.258 0.521 1.00 0.00 N ATOM 319 CA GLY A 20 6.633 -8.962 1.246 1.00 0.00 C ATOM 320 C GLY A 20 7.275 -7.880 0.389 1.00 0.00 C ATOM 321 O GLY A 20 7.647 -6.825 0.863 1.00 0.00 O ATOM 0 H GLY A 20 7.794 -10.545 0.419 1.00 0.00 H new ATOM 0 HA2 GLY A 20 5.574 -8.755 1.400 1.00 0.00 H new ATOM 0 HA3 GLY A 20 7.097 -9.000 2.232 1.00 0.00 H new ATOM 325 N ASN A 21 7.426 -8.155 -0.883 1.00 0.00 N ATOM 326 CA ASN A 21 8.060 -7.175 -1.781 1.00 0.00 C ATOM 327 C ASN A 21 7.047 -6.660 -2.810 1.00 0.00 C ATOM 328 O ASN A 21 7.350 -5.835 -3.645 1.00 0.00 O ATOM 329 CB ASN A 21 9.235 -7.831 -2.494 1.00 0.00 C ATOM 330 CG ASN A 21 10.233 -8.357 -1.462 1.00 0.00 C ATOM 331 OD1 ASN A 21 10.875 -7.589 -0.772 1.00 0.00 O ATOM 332 ND2 ASN A 21 10.390 -9.645 -1.326 1.00 0.00 N ATOM 0 H ASN A 21 7.132 -9.024 -1.329 1.00 0.00 H new ATOM 0 HA ASN A 21 8.416 -6.330 -1.192 1.00 0.00 H new ATOM 0 HB2 ASN A 21 8.882 -8.649 -3.122 1.00 0.00 H new ATOM 0 HB3 ASN A 21 9.722 -7.111 -3.152 1.00 0.00 H new ATOM 0 HD21 ASN A 21 11.052 -10.008 -0.640 1.00 0.00 H new ATOM 0 HD22 ASN A 21 9.851 -10.288 -1.905 1.00 0.00 H new ATOM 339 N GLN A 22 5.842 -7.128 -2.754 1.00 0.00 N ATOM 340 CA GLN A 22 4.810 -6.609 -3.708 1.00 0.00 C ATOM 341 C GLN A 22 3.507 -6.389 -2.937 1.00 0.00 C ATOM 342 O GLN A 22 3.230 -7.062 -1.961 1.00 0.00 O ATOM 343 CB GLN A 22 4.571 -7.544 -4.902 1.00 0.00 C ATOM 344 CG GLN A 22 5.765 -8.476 -5.126 1.00 0.00 C ATOM 345 CD GLN A 22 5.272 -9.925 -5.160 1.00 0.00 C ATOM 346 OE1 GLN A 22 5.815 -10.746 -5.874 1.00 0.00 O ATOM 347 NE2 GLN A 22 4.265 -10.281 -4.406 1.00 0.00 N ATOM 0 H GLN A 22 5.518 -7.840 -2.100 1.00 0.00 H new ATOM 0 HA GLN A 22 5.178 -5.672 -4.127 1.00 0.00 H new ATOM 0 HB2 GLN A 22 3.672 -8.136 -4.729 1.00 0.00 H new ATOM 0 HB3 GLN A 22 4.395 -6.952 -5.800 1.00 0.00 H new ATOM 0 HG2 GLN A 22 6.265 -8.227 -6.062 1.00 0.00 H new ATOM 0 HG3 GLN A 22 6.497 -8.347 -4.329 1.00 0.00 H new ATOM 0 HE21 GLN A 22 3.809 -9.593 -3.807 1.00 0.00 H new ATOM 0 HE22 GLN A 22 3.936 -11.246 -4.417 1.00 0.00 H new ATOM 356 N LEU A 23 2.735 -5.415 -3.329 1.00 0.00 N ATOM 357 CA LEU A 23 1.485 -5.102 -2.580 1.00 0.00 C ATOM 358 C LEU A 23 0.225 -5.305 -3.431 1.00 0.00 C ATOM 359 O LEU A 23 0.269 -5.755 -4.553 1.00 0.00 O ATOM 360 CB LEU A 23 1.563 -3.633 -2.164 1.00 0.00 C ATOM 361 CG LEU A 23 2.034 -3.548 -0.721 1.00 0.00 C ATOM 362 CD1 LEU A 23 2.356 -2.097 -0.371 1.00 0.00 C ATOM 363 CD2 LEU A 23 0.933 -4.062 0.204 1.00 0.00 C ATOM 0 H LEU A 23 2.916 -4.820 -4.138 1.00 0.00 H new ATOM 0 HA LEU A 23 1.411 -5.775 -1.726 1.00 0.00 H new ATOM 0 HB2 LEU A 23 2.250 -3.094 -2.816 1.00 0.00 H new ATOM 0 HB3 LEU A 23 0.587 -3.160 -2.269 1.00 0.00 H new ATOM 0 HG LEU A 23 2.929 -4.157 -0.596 1.00 0.00 H new ATOM 0 HD11 LEU A 23 2.693 -2.039 0.664 1.00 0.00 H new ATOM 0 HD12 LEU A 23 3.142 -1.730 -1.030 1.00 0.00 H new ATOM 0 HD13 LEU A 23 1.462 -1.486 -0.496 1.00 0.00 H new ATOM 0 HD21 LEU A 23 1.270 -4.002 1.239 1.00 0.00 H new ATOM 0 HD22 LEU A 23 0.038 -3.453 0.077 1.00 0.00 H new ATOM 0 HD23 LEU A 23 0.705 -5.099 -0.043 1.00 0.00 H new ATOM 375 N SER A 24 -0.903 -4.943 -2.877 1.00 0.00 N ATOM 376 CA SER A 24 -2.185 -5.042 -3.569 1.00 0.00 C ATOM 377 C SER A 24 -3.132 -4.101 -2.804 1.00 0.00 C ATOM 378 O SER A 24 -2.860 -3.741 -1.675 1.00 0.00 O ATOM 379 CB SER A 24 -2.698 -6.479 -3.516 1.00 0.00 C ATOM 380 OG SER A 24 -2.048 -7.249 -4.518 1.00 0.00 O ATOM 0 H SER A 24 -0.971 -4.569 -1.931 1.00 0.00 H new ATOM 0 HA SER A 24 -2.108 -4.768 -4.621 1.00 0.00 H new ATOM 0 HB2 SER A 24 -2.509 -6.908 -2.532 1.00 0.00 H new ATOM 0 HB3 SER A 24 -3.777 -6.498 -3.670 1.00 0.00 H new ATOM 0 HG SER A 24 -2.654 -7.376 -5.277 1.00 0.00 H new ATOM 386 N LYS A 25 -4.219 -3.689 -3.375 1.00 0.00 N ATOM 387 CA LYS A 25 -5.134 -2.771 -2.639 1.00 0.00 C ATOM 388 C LYS A 25 -5.749 -3.509 -1.456 1.00 0.00 C ATOM 389 O LYS A 25 -6.331 -2.914 -0.572 1.00 0.00 O ATOM 390 CB LYS A 25 -6.246 -2.310 -3.573 1.00 0.00 C ATOM 391 CG LYS A 25 -6.586 -0.847 -3.280 1.00 0.00 C ATOM 392 CD LYS A 25 -6.982 -0.142 -4.578 1.00 0.00 C ATOM 393 CE LYS A 25 -8.190 -0.848 -5.196 1.00 0.00 C ATOM 394 NZ LYS A 25 -9.445 -0.251 -4.659 1.00 0.00 N ATOM 0 H LYS A 25 -4.519 -3.943 -4.316 1.00 0.00 H new ATOM 0 HA LYS A 25 -4.572 -1.908 -2.281 1.00 0.00 H new ATOM 0 HB2 LYS A 25 -5.932 -2.421 -4.611 1.00 0.00 H new ATOM 0 HB3 LYS A 25 -7.130 -2.934 -3.439 1.00 0.00 H new ATOM 0 HG2 LYS A 25 -7.402 -0.790 -2.560 1.00 0.00 H new ATOM 0 HG3 LYS A 25 -5.728 -0.347 -2.830 1.00 0.00 H new ATOM 0 HD2 LYS A 25 -7.221 0.903 -4.378 1.00 0.00 H new ATOM 0 HD3 LYS A 25 -6.146 -0.149 -5.278 1.00 0.00 H new ATOM 0 HE2 LYS A 25 -8.165 -0.751 -6.281 1.00 0.00 H new ATOM 0 HE3 LYS A 25 -8.156 -1.914 -4.970 1.00 0.00 H new ATOM 0 HZ1 LYS A 25 -10.266 -0.732 -5.080 1.00 0.00 H new ATOM 0 HZ2 LYS A 25 -9.469 -0.365 -3.626 1.00 0.00 H new ATOM 0 HZ3 LYS A 25 -9.477 0.761 -4.896 1.00 0.00 H new ATOM 408 N GLU A 26 -5.635 -4.802 -1.444 1.00 0.00 N ATOM 409 CA GLU A 26 -6.226 -5.593 -0.331 1.00 0.00 C ATOM 410 C GLU A 26 -5.390 -5.438 0.942 1.00 0.00 C ATOM 411 O GLU A 26 -5.670 -6.063 1.945 1.00 0.00 O ATOM 412 CB GLU A 26 -6.280 -7.071 -0.725 1.00 0.00 C ATOM 413 CG GLU A 26 -4.990 -7.458 -1.450 1.00 0.00 C ATOM 414 CD GLU A 26 -4.853 -8.981 -1.479 1.00 0.00 C ATOM 415 OE1 GLU A 26 -5.815 -9.648 -1.134 1.00 0.00 O ATOM 416 OE2 GLU A 26 -3.789 -9.454 -1.843 1.00 0.00 O ATOM 0 H GLU A 26 -5.156 -5.350 -2.159 1.00 0.00 H new ATOM 0 HA GLU A 26 -7.233 -5.224 -0.138 1.00 0.00 H new ATOM 0 HB2 GLU A 26 -6.409 -7.690 0.163 1.00 0.00 H new ATOM 0 HB3 GLU A 26 -7.140 -7.255 -1.369 1.00 0.00 H new ATOM 0 HG2 GLU A 26 -5.001 -7.065 -2.466 1.00 0.00 H new ATOM 0 HG3 GLU A 26 -4.131 -7.015 -0.946 1.00 0.00 H new ATOM 423 N GLU A 27 -4.364 -4.627 0.930 1.00 0.00 N ATOM 424 CA GLU A 27 -3.554 -4.489 2.178 1.00 0.00 C ATOM 425 C GLU A 27 -2.873 -3.113 2.280 1.00 0.00 C ATOM 426 O GLU A 27 -2.012 -2.910 3.112 1.00 0.00 O ATOM 427 CB GLU A 27 -2.510 -5.605 2.224 1.00 0.00 C ATOM 428 CG GLU A 27 -1.343 -5.297 1.283 1.00 0.00 C ATOM 429 CD GLU A 27 -1.460 -6.174 0.040 1.00 0.00 C ATOM 430 OE1 GLU A 27 -2.222 -5.814 -0.839 1.00 0.00 O ATOM 431 OE2 GLU A 27 -0.786 -7.190 -0.014 1.00 0.00 O ATOM 0 H GLU A 27 -4.057 -4.068 0.134 1.00 0.00 H new ATOM 0 HA GLU A 27 -4.227 -4.572 3.031 1.00 0.00 H new ATOM 0 HB2 GLU A 27 -2.140 -5.722 3.243 1.00 0.00 H new ATOM 0 HB3 GLU A 27 -2.971 -6.552 1.942 1.00 0.00 H new ATOM 0 HG2 GLU A 27 -1.354 -4.244 1.003 1.00 0.00 H new ATOM 0 HG3 GLU A 27 -0.394 -5.483 1.787 1.00 0.00 H new ATOM 438 N LEU A 28 -3.270 -2.156 1.486 1.00 0.00 N ATOM 439 CA LEU A 28 -2.668 -0.809 1.595 1.00 0.00 C ATOM 440 C LEU A 28 -3.536 -0.042 2.595 1.00 0.00 C ATOM 441 O LEU A 28 -3.093 0.849 3.291 1.00 0.00 O ATOM 442 CB LEU A 28 -2.647 -0.169 0.194 1.00 0.00 C ATOM 443 CG LEU A 28 -3.223 1.253 0.205 1.00 0.00 C ATOM 444 CD1 LEU A 28 -2.184 2.231 0.762 1.00 0.00 C ATOM 445 CD2 LEU A 28 -3.582 1.667 -1.226 1.00 0.00 C ATOM 0 H LEU A 28 -3.987 -2.255 0.767 1.00 0.00 H new ATOM 0 HA LEU A 28 -1.637 -0.816 1.949 1.00 0.00 H new ATOM 0 HB2 LEU A 28 -1.623 -0.143 -0.178 1.00 0.00 H new ATOM 0 HB3 LEU A 28 -3.221 -0.788 -0.496 1.00 0.00 H new ATOM 0 HG LEU A 28 -4.114 1.273 0.833 1.00 0.00 H new ATOM 0 HD11 LEU A 28 -2.599 3.239 0.767 1.00 0.00 H new ATOM 0 HD12 LEU A 28 -1.921 1.942 1.779 1.00 0.00 H new ATOM 0 HD13 LEU A 28 -1.292 2.209 0.136 1.00 0.00 H new ATOM 0 HD21 LEU A 28 -3.992 2.677 -1.221 1.00 0.00 H new ATOM 0 HD22 LEU A 28 -2.687 1.642 -1.848 1.00 0.00 H new ATOM 0 HD23 LEU A 28 -4.323 0.977 -1.629 1.00 0.00 H new ATOM 457 N LYS A 29 -4.769 -0.458 2.688 1.00 0.00 N ATOM 458 CA LYS A 29 -5.729 0.096 3.626 1.00 0.00 C ATOM 459 C LYS A 29 -5.172 -0.049 5.034 1.00 0.00 C ATOM 460 O LYS A 29 -5.168 0.879 5.820 1.00 0.00 O ATOM 461 CB LYS A 29 -6.951 -0.759 3.465 1.00 0.00 C ATOM 462 CG LYS A 29 -8.009 -0.180 4.351 1.00 0.00 C ATOM 463 CD LYS A 29 -9.375 -0.472 3.754 1.00 0.00 C ATOM 464 CE LYS A 29 -10.399 0.566 4.265 1.00 0.00 C ATOM 465 NZ LYS A 29 -11.754 0.200 3.768 1.00 0.00 N ATOM 0 H LYS A 29 -5.150 -1.205 2.107 1.00 0.00 H new ATOM 0 HA LYS A 29 -5.943 1.151 3.452 1.00 0.00 H new ATOM 0 HB2 LYS A 29 -7.281 -0.769 2.426 1.00 0.00 H new ATOM 0 HB3 LYS A 29 -6.739 -1.792 3.742 1.00 0.00 H new ATOM 0 HG2 LYS A 29 -7.937 -0.608 5.351 1.00 0.00 H new ATOM 0 HG3 LYS A 29 -7.866 0.896 4.453 1.00 0.00 H new ATOM 0 HD2 LYS A 29 -9.322 -0.439 2.666 1.00 0.00 H new ATOM 0 HD3 LYS A 29 -9.695 -1.478 4.027 1.00 0.00 H new ATOM 0 HE2 LYS A 29 -10.393 0.595 5.355 1.00 0.00 H new ATOM 0 HE3 LYS A 29 -10.128 1.563 3.918 1.00 0.00 H new ATOM 0 HZ1 LYS A 29 -12.258 1.059 3.470 1.00 0.00 H new ATOM 0 HZ2 LYS A 29 -11.664 -0.447 2.959 1.00 0.00 H new ATOM 0 HZ3 LYS A 29 -12.288 -0.268 4.528 1.00 0.00 H new ATOM 479 N LEU A 30 -4.687 -1.216 5.352 1.00 0.00 N ATOM 480 CA LEU A 30 -4.108 -1.437 6.700 1.00 0.00 C ATOM 481 C LEU A 30 -3.091 -0.332 6.977 1.00 0.00 C ATOM 482 O LEU A 30 -2.883 0.062 8.095 1.00 0.00 O ATOM 483 CB LEU A 30 -3.426 -2.803 6.745 1.00 0.00 C ATOM 484 CG LEU A 30 -4.484 -3.893 6.577 1.00 0.00 C ATOM 485 CD1 LEU A 30 -4.119 -4.781 5.388 1.00 0.00 C ATOM 486 CD2 LEU A 30 -4.549 -4.739 7.848 1.00 0.00 C ATOM 0 H LEU A 30 -4.668 -2.027 4.733 1.00 0.00 H new ATOM 0 HA LEU A 30 -4.892 -1.413 7.457 1.00 0.00 H new ATOM 0 HB2 LEU A 30 -2.680 -2.877 5.954 1.00 0.00 H new ATOM 0 HB3 LEU A 30 -2.901 -2.931 7.692 1.00 0.00 H new ATOM 0 HG LEU A 30 -5.455 -3.432 6.398 1.00 0.00 H new ATOM 0 HD11 LEU A 30 -4.874 -5.558 5.269 1.00 0.00 H new ATOM 0 HD12 LEU A 30 -4.075 -4.176 4.482 1.00 0.00 H new ATOM 0 HD13 LEU A 30 -3.147 -5.243 5.564 1.00 0.00 H new ATOM 0 HD21 LEU A 30 -5.303 -5.517 7.729 1.00 0.00 H new ATOM 0 HD22 LEU A 30 -3.578 -5.200 8.028 1.00 0.00 H new ATOM 0 HD23 LEU A 30 -4.812 -4.105 8.694 1.00 0.00 H new ATOM 498 N LEU A 31 -2.461 0.182 5.962 1.00 0.00 N ATOM 499 CA LEU A 31 -1.478 1.274 6.190 1.00 0.00 C ATOM 500 C LEU A 31 -2.210 2.493 6.765 1.00 0.00 C ATOM 501 O LEU A 31 -1.949 2.916 7.874 1.00 0.00 O ATOM 502 CB LEU A 31 -0.817 1.659 4.865 1.00 0.00 C ATOM 503 CG LEU A 31 0.687 1.844 5.072 1.00 0.00 C ATOM 504 CD1 LEU A 31 1.328 2.296 3.759 1.00 0.00 C ATOM 505 CD2 LEU A 31 0.925 2.907 6.147 1.00 0.00 C ATOM 0 H LEU A 31 -2.582 -0.104 4.990 1.00 0.00 H new ATOM 0 HA LEU A 31 -0.713 0.936 6.888 1.00 0.00 H new ATOM 0 HB2 LEU A 31 -0.998 0.885 4.119 1.00 0.00 H new ATOM 0 HB3 LEU A 31 -1.257 2.580 4.482 1.00 0.00 H new ATOM 0 HG LEU A 31 1.131 0.900 5.388 1.00 0.00 H new ATOM 0 HD11 LEU A 31 2.400 2.429 3.904 1.00 0.00 H new ATOM 0 HD12 LEU A 31 1.156 1.541 2.992 1.00 0.00 H new ATOM 0 HD13 LEU A 31 0.885 3.241 3.444 1.00 0.00 H new ATOM 0 HD21 LEU A 31 1.997 3.040 6.296 1.00 0.00 H new ATOM 0 HD22 LEU A 31 0.483 3.851 5.829 1.00 0.00 H new ATOM 0 HD23 LEU A 31 0.466 2.588 7.082 1.00 0.00 H new ATOM 517 N LEU A 32 -3.121 3.066 6.019 1.00 0.00 N ATOM 518 CA LEU A 32 -3.855 4.249 6.513 1.00 0.00 C ATOM 519 C LEU A 32 -4.366 4.023 7.930 1.00 0.00 C ATOM 520 O LEU A 32 -4.342 4.918 8.730 1.00 0.00 O ATOM 521 CB LEU A 32 -5.011 4.528 5.578 1.00 0.00 C ATOM 522 CG LEU A 32 -4.533 4.464 4.123 1.00 0.00 C ATOM 523 CD1 LEU A 32 -3.041 4.791 4.005 1.00 0.00 C ATOM 524 CD2 LEU A 32 -4.798 3.076 3.564 1.00 0.00 C ATOM 0 H LEU A 32 -3.383 2.756 5.083 1.00 0.00 H new ATOM 0 HA LEU A 32 -3.180 5.105 6.538 1.00 0.00 H new ATOM 0 HB2 LEU A 32 -5.806 3.800 5.741 1.00 0.00 H new ATOM 0 HB3 LEU A 32 -5.431 5.511 5.789 1.00 0.00 H new ATOM 0 HG LEU A 32 -5.086 5.210 3.552 1.00 0.00 H new ATOM 0 HD11 LEU A 32 -2.738 4.736 2.959 1.00 0.00 H new ATOM 0 HD12 LEU A 32 -2.858 5.797 4.383 1.00 0.00 H new ATOM 0 HD13 LEU A 32 -2.464 4.073 4.588 1.00 0.00 H new ATOM 0 HD21 LEU A 32 -4.458 3.030 2.529 1.00 0.00 H new ATOM 0 HD22 LEU A 32 -4.259 2.336 4.156 1.00 0.00 H new ATOM 0 HD23 LEU A 32 -5.867 2.865 3.605 1.00 0.00 H new ATOM 536 N GLN A 33 -4.846 2.846 8.228 1.00 0.00 N ATOM 537 CA GLN A 33 -5.378 2.560 9.629 1.00 0.00 C ATOM 538 C GLN A 33 -4.247 2.334 10.630 1.00 0.00 C ATOM 539 O GLN A 33 -4.088 3.101 11.558 1.00 0.00 O ATOM 540 CB GLN A 33 -6.269 1.307 9.614 1.00 0.00 C ATOM 541 CG GLN A 33 -7.452 1.503 8.664 1.00 0.00 C ATOM 542 CD GLN A 33 -8.631 0.640 9.125 1.00 0.00 C ATOM 543 OE1 GLN A 33 -9.648 1.158 9.540 1.00 0.00 O ATOM 544 NE2 GLN A 33 -8.539 -0.661 9.068 1.00 0.00 N ATOM 0 H GLN A 33 -4.901 2.062 7.578 1.00 0.00 H new ATOM 0 HA GLN A 33 -5.953 3.434 9.936 1.00 0.00 H new ATOM 0 HB2 GLN A 33 -5.684 0.441 9.303 1.00 0.00 H new ATOM 0 HB3 GLN A 33 -6.633 1.100 10.620 1.00 0.00 H new ATOM 0 HG2 GLN A 33 -7.744 2.553 8.642 1.00 0.00 H new ATOM 0 HG3 GLN A 33 -7.165 1.231 7.648 1.00 0.00 H new ATOM 0 HE21 GLN A 33 -7.685 -1.097 8.720 1.00 0.00 H new ATOM 0 HE22 GLN A 33 -9.321 -1.241 9.372 1.00 0.00 H new ATOM 553 N THR A 34 -3.492 1.281 10.478 1.00 0.00 N ATOM 554 CA THR A 34 -2.386 0.993 11.440 1.00 0.00 C ATOM 555 C THR A 34 -1.767 2.306 11.911 1.00 0.00 C ATOM 556 O THR A 34 -1.320 2.434 13.032 1.00 0.00 O ATOM 557 CB THR A 34 -1.316 0.153 10.746 1.00 0.00 C ATOM 558 OG1 THR A 34 -0.714 0.914 9.710 1.00 0.00 O ATOM 559 CG2 THR A 34 -1.943 -1.105 10.155 1.00 0.00 C ATOM 0 H THR A 34 -3.593 0.602 9.724 1.00 0.00 H new ATOM 0 HA THR A 34 -2.783 0.448 12.296 1.00 0.00 H new ATOM 0 HB THR A 34 -0.559 -0.134 11.476 1.00 0.00 H new ATOM 0 HG1 THR A 34 -1.296 0.910 8.921 1.00 0.00 H new ATOM 0 HG21 THR A 34 -1.173 -1.698 9.662 1.00 0.00 H new ATOM 0 HG22 THR A 34 -2.399 -1.693 10.951 1.00 0.00 H new ATOM 0 HG23 THR A 34 -2.706 -0.825 9.428 1.00 0.00 H new ATOM 567 N GLU A 35 -1.751 3.283 11.052 1.00 0.00 N ATOM 568 CA GLU A 35 -1.174 4.602 11.434 1.00 0.00 C ATOM 569 C GLU A 35 -2.277 5.666 11.539 1.00 0.00 C ATOM 570 O GLU A 35 -2.110 6.668 12.206 1.00 0.00 O ATOM 571 CB GLU A 35 -0.158 5.032 10.373 1.00 0.00 C ATOM 572 CG GLU A 35 1.065 4.118 10.444 1.00 0.00 C ATOM 573 CD GLU A 35 2.339 4.962 10.386 1.00 0.00 C ATOM 574 OE1 GLU A 35 2.517 5.663 9.406 1.00 0.00 O ATOM 575 OE2 GLU A 35 3.116 4.891 11.325 1.00 0.00 O ATOM 0 H GLU A 35 -2.113 3.227 10.100 1.00 0.00 H new ATOM 0 HA GLU A 35 -0.688 4.505 12.405 1.00 0.00 H new ATOM 0 HB2 GLU A 35 -0.607 4.981 9.381 1.00 0.00 H new ATOM 0 HB3 GLU A 35 0.138 6.068 10.536 1.00 0.00 H new ATOM 0 HG2 GLU A 35 1.044 3.536 11.365 1.00 0.00 H new ATOM 0 HG3 GLU A 35 1.049 3.407 9.618 1.00 0.00 H new ATOM 582 N PHE A 36 -3.392 5.476 10.882 1.00 0.00 N ATOM 583 CA PHE A 36 -4.466 6.489 10.941 1.00 0.00 C ATOM 584 C PHE A 36 -5.807 5.850 10.562 1.00 0.00 C ATOM 585 O PHE A 36 -6.237 6.042 9.450 1.00 0.00 O ATOM 586 CB PHE A 36 -4.167 7.611 9.931 1.00 0.00 C ATOM 587 CG PHE A 36 -2.708 7.594 9.512 1.00 0.00 C ATOM 588 CD1 PHE A 36 -1.749 8.288 10.259 1.00 0.00 C ATOM 589 CD2 PHE A 36 -2.322 6.888 8.366 1.00 0.00 C ATOM 590 CE1 PHE A 36 -0.405 8.273 9.861 1.00 0.00 C ATOM 591 CE2 PHE A 36 -0.980 6.874 7.967 1.00 0.00 C ATOM 592 CZ PHE A 36 -0.021 7.567 8.714 1.00 0.00 C ATOM 0 H PHE A 36 -3.597 4.658 10.308 1.00 0.00 H new ATOM 0 HA PHE A 36 -4.516 6.890 11.953 1.00 0.00 H new ATOM 0 HB2 PHE A 36 -4.802 7.493 9.053 1.00 0.00 H new ATOM 0 HB3 PHE A 36 -4.410 8.577 10.373 1.00 0.00 H new ATOM 0 HD1 PHE A 36 -2.045 8.835 11.142 1.00 0.00 H new ATOM 0 HD2 PHE A 36 -3.061 6.353 7.788 1.00 0.00 H new ATOM 0 HE1 PHE A 36 0.335 8.806 10.439 1.00 0.00 H new ATOM 0 HE2 PHE A 36 -0.685 6.328 7.083 1.00 0.00 H new ATOM 0 HZ PHE A 36 1.014 7.557 8.406 1.00 0.00 H new ATOM 602 N PRO A 37 -6.436 5.156 11.517 1.00 0.00 N ATOM 603 CA PRO A 37 -7.737 4.497 11.375 1.00 0.00 C ATOM 604 C PRO A 37 -8.427 5.037 10.170 1.00 0.00 C ATOM 605 O PRO A 37 -9.365 5.806 10.186 1.00 0.00 O ATOM 606 CB PRO A 37 -8.395 4.782 12.706 1.00 0.00 C ATOM 607 CG PRO A 37 -7.204 4.902 13.690 1.00 0.00 C ATOM 608 CD PRO A 37 -5.921 5.008 12.838 1.00 0.00 C ATOM 0 HA PRO A 37 -7.726 3.422 11.194 1.00 0.00 H new ATOM 0 HB2 PRO A 37 -8.981 5.700 12.674 1.00 0.00 H new ATOM 0 HB3 PRO A 37 -9.074 3.980 12.996 1.00 0.00 H new ATOM 0 HG2 PRO A 37 -7.317 5.779 14.327 1.00 0.00 H new ATOM 0 HG3 PRO A 37 -7.159 4.034 14.348 1.00 0.00 H new ATOM 0 HD2 PRO A 37 -5.308 5.860 13.132 1.00 0.00 H new ATOM 0 HD3 PRO A 37 -5.297 4.119 12.933 1.00 0.00 H new ATOM 616 N SER A 38 -7.817 4.638 9.134 1.00 0.00 N ATOM 617 CA SER A 38 -8.156 5.056 7.765 1.00 0.00 C ATOM 618 C SER A 38 -9.619 5.379 7.653 1.00 0.00 C ATOM 619 O SER A 38 -10.504 4.599 7.944 1.00 0.00 O ATOM 620 CB SER A 38 -7.810 3.933 6.792 1.00 0.00 C ATOM 621 OG SER A 38 -8.946 3.098 6.606 1.00 0.00 O ATOM 0 H SER A 38 -7.033 3.987 9.173 1.00 0.00 H new ATOM 0 HA SER A 38 -7.582 5.950 7.522 1.00 0.00 H new ATOM 0 HB2 SER A 38 -7.492 4.351 5.837 1.00 0.00 H new ATOM 0 HB3 SER A 38 -6.975 3.348 7.178 1.00 0.00 H new ATOM 0 HG SER A 38 -9.588 3.252 7.330 1.00 0.00 H new ATOM 627 N LEU A 39 -9.836 6.568 7.212 1.00 0.00 N ATOM 628 CA LEU A 39 -11.188 7.101 7.017 1.00 0.00 C ATOM 629 C LEU A 39 -11.700 6.624 5.649 1.00 0.00 C ATOM 630 O LEU A 39 -12.650 7.150 5.106 1.00 0.00 O ATOM 631 CB LEU A 39 -11.104 8.636 7.073 1.00 0.00 C ATOM 632 CG LEU A 39 -10.042 9.109 8.111 1.00 0.00 C ATOM 633 CD1 LEU A 39 -9.926 8.134 9.295 1.00 0.00 C ATOM 634 CD2 LEU A 39 -8.658 9.228 7.449 1.00 0.00 C ATOM 0 H LEU A 39 -9.093 7.222 6.967 1.00 0.00 H new ATOM 0 HA LEU A 39 -11.876 6.755 7.788 1.00 0.00 H new ATOM 0 HB2 LEU A 39 -10.849 9.024 6.087 1.00 0.00 H new ATOM 0 HB3 LEU A 39 -12.079 9.046 7.335 1.00 0.00 H new ATOM 0 HG LEU A 39 -10.373 10.080 8.480 1.00 0.00 H new ATOM 0 HD11 LEU A 39 -9.175 8.500 9.996 1.00 0.00 H new ATOM 0 HD12 LEU A 39 -10.889 8.060 9.801 1.00 0.00 H new ATOM 0 HD13 LEU A 39 -9.632 7.150 8.929 1.00 0.00 H new ATOM 0 HD21 LEU A 39 -7.928 9.559 8.188 1.00 0.00 H new ATOM 0 HD22 LEU A 39 -8.359 8.257 7.054 1.00 0.00 H new ATOM 0 HD23 LEU A 39 -8.705 9.952 6.635 1.00 0.00 H new ATOM 646 N LEU A 40 -11.059 5.625 5.090 1.00 0.00 N ATOM 647 CA LEU A 40 -11.471 5.091 3.759 1.00 0.00 C ATOM 648 C LEU A 40 -12.522 4.004 3.971 1.00 0.00 C ATOM 649 O LEU A 40 -12.710 3.135 3.142 1.00 0.00 O ATOM 650 CB LEU A 40 -10.274 4.462 3.018 1.00 0.00 C ATOM 651 CG LEU A 40 -8.920 4.837 3.663 1.00 0.00 C ATOM 652 CD1 LEU A 40 -7.797 4.505 2.685 1.00 0.00 C ATOM 653 CD2 LEU A 40 -8.878 6.339 3.966 1.00 0.00 C ATOM 0 H LEU A 40 -10.257 5.153 5.508 1.00 0.00 H new ATOM 0 HA LEU A 40 -11.865 5.915 3.164 1.00 0.00 H new ATOM 0 HB2 LEU A 40 -10.383 3.377 3.012 1.00 0.00 H new ATOM 0 HB3 LEU A 40 -10.281 4.789 1.978 1.00 0.00 H new ATOM 0 HG LEU A 40 -8.799 4.277 4.590 1.00 0.00 H new ATOM 0 HD11 LEU A 40 -6.837 4.766 3.131 1.00 0.00 H new ATOM 0 HD12 LEU A 40 -7.814 3.439 2.459 1.00 0.00 H new ATOM 0 HD13 LEU A 40 -7.936 5.073 1.765 1.00 0.00 H new ATOM 0 HD21 LEU A 40 -7.920 6.592 4.420 1.00 0.00 H new ATOM 0 HD22 LEU A 40 -9.000 6.901 3.040 1.00 0.00 H new ATOM 0 HD23 LEU A 40 -9.684 6.594 4.654 1.00 0.00 H new ATOM 767 N GLU A 48 -6.184 7.191 -4.600 1.00 0.00 N ATOM 768 CA GLU A 48 -6.208 6.502 -5.902 1.00 0.00 C ATOM 769 C GLU A 48 -4.802 6.538 -6.472 1.00 0.00 C ATOM 770 O GLU A 48 -4.571 6.299 -7.641 1.00 0.00 O ATOM 771 CB GLU A 48 -7.134 7.245 -6.813 1.00 0.00 C ATOM 772 CG GLU A 48 -8.048 6.265 -7.540 1.00 0.00 C ATOM 773 CD GLU A 48 -8.570 6.904 -8.829 1.00 0.00 C ATOM 774 OE1 GLU A 48 -8.367 8.095 -9.000 1.00 0.00 O ATOM 775 OE2 GLU A 48 -9.163 6.192 -9.623 1.00 0.00 O ATOM 0 HA GLU A 48 -6.546 5.471 -5.797 1.00 0.00 H new ATOM 0 HB2 GLU A 48 -7.731 7.954 -6.239 1.00 0.00 H new ATOM 0 HB3 GLU A 48 -6.559 7.824 -7.536 1.00 0.00 H new ATOM 0 HG2 GLU A 48 -7.504 5.349 -7.771 1.00 0.00 H new ATOM 0 HG3 GLU A 48 -8.883 5.986 -6.897 1.00 0.00 H new ATOM 782 N LEU A 49 -3.862 6.839 -5.632 1.00 0.00 N ATOM 783 CA LEU A 49 -2.448 6.907 -6.061 1.00 0.00 C ATOM 784 C LEU A 49 -1.878 5.496 -6.048 1.00 0.00 C ATOM 785 O LEU A 49 -0.834 5.222 -6.603 1.00 0.00 O ATOM 786 CB LEU A 49 -1.690 7.781 -5.065 1.00 0.00 C ATOM 787 CG LEU A 49 -0.842 8.806 -5.821 1.00 0.00 C ATOM 788 CD1 LEU A 49 -0.687 10.069 -4.971 1.00 0.00 C ATOM 789 CD2 LEU A 49 0.541 8.217 -6.112 1.00 0.00 C ATOM 0 H LEU A 49 -4.018 7.045 -4.645 1.00 0.00 H new ATOM 0 HA LEU A 49 -2.359 7.329 -7.062 1.00 0.00 H new ATOM 0 HB2 LEU A 49 -2.392 8.291 -4.406 1.00 0.00 H new ATOM 0 HB3 LEU A 49 -1.053 7.162 -4.434 1.00 0.00 H new ATOM 0 HG LEU A 49 -1.334 9.057 -6.761 1.00 0.00 H new ATOM 0 HD11 LEU A 49 -0.083 10.799 -5.510 1.00 0.00 H new ATOM 0 HD12 LEU A 49 -1.670 10.493 -4.766 1.00 0.00 H new ATOM 0 HD13 LEU A 49 -0.197 9.817 -4.030 1.00 0.00 H new ATOM 0 HD21 LEU A 49 1.142 8.949 -6.650 1.00 0.00 H new ATOM 0 HD22 LEU A 49 1.033 7.963 -5.173 1.00 0.00 H new ATOM 0 HD23 LEU A 49 0.433 7.319 -6.720 1.00 0.00 H new ATOM 801 N PHE A 50 -2.571 4.600 -5.407 1.00 0.00 N ATOM 802 CA PHE A 50 -2.103 3.196 -5.332 1.00 0.00 C ATOM 803 C PHE A 50 -2.474 2.461 -6.623 1.00 0.00 C ATOM 804 O PHE A 50 -1.649 1.823 -7.245 1.00 0.00 O ATOM 805 CB PHE A 50 -2.776 2.532 -4.132 1.00 0.00 C ATOM 806 CG PHE A 50 -2.265 1.122 -3.973 1.00 0.00 C ATOM 807 CD1 PHE A 50 -2.831 0.084 -4.723 1.00 0.00 C ATOM 808 CD2 PHE A 50 -1.226 0.850 -3.075 1.00 0.00 C ATOM 809 CE1 PHE A 50 -2.361 -1.225 -4.574 1.00 0.00 C ATOM 810 CE2 PHE A 50 -0.755 -0.459 -2.927 1.00 0.00 C ATOM 811 CZ PHE A 50 -1.323 -1.497 -3.676 1.00 0.00 C ATOM 0 H PHE A 50 -3.452 4.786 -4.927 1.00 0.00 H new ATOM 0 HA PHE A 50 -1.020 3.160 -5.215 1.00 0.00 H new ATOM 0 HB2 PHE A 50 -2.574 3.106 -3.227 1.00 0.00 H new ATOM 0 HB3 PHE A 50 -3.857 2.523 -4.269 1.00 0.00 H new ATOM 0 HD1 PHE A 50 -3.631 0.294 -5.417 1.00 0.00 H new ATOM 0 HD2 PHE A 50 -0.788 1.650 -2.497 1.00 0.00 H new ATOM 0 HE1 PHE A 50 -2.799 -2.025 -5.152 1.00 0.00 H new ATOM 0 HE2 PHE A 50 0.047 -0.669 -2.235 1.00 0.00 H new ATOM 0 HZ PHE A 50 -0.960 -2.508 -3.561 1.00 0.00 H new ATOM 821 N GLU A 51 -3.713 2.543 -7.026 1.00 0.00 N ATOM 822 CA GLU A 51 -4.144 1.849 -8.273 1.00 0.00 C ATOM 823 C GLU A 51 -3.765 2.685 -9.498 1.00 0.00 C ATOM 824 O GLU A 51 -3.626 2.172 -10.591 1.00 0.00 O ATOM 825 CB GLU A 51 -5.660 1.655 -8.239 1.00 0.00 C ATOM 826 CG GLU A 51 -6.043 0.434 -9.078 1.00 0.00 C ATOM 827 CD GLU A 51 -7.356 0.710 -9.813 1.00 0.00 C ATOM 828 OE1 GLU A 51 -7.417 1.693 -10.533 1.00 0.00 O ATOM 829 OE2 GLU A 51 -8.280 -0.070 -9.644 1.00 0.00 O ATOM 0 H GLU A 51 -4.447 3.062 -6.544 1.00 0.00 H new ATOM 0 HA GLU A 51 -3.646 0.881 -8.337 1.00 0.00 H new ATOM 0 HB2 GLU A 51 -5.996 1.522 -7.211 1.00 0.00 H new ATOM 0 HB3 GLU A 51 -6.159 2.544 -8.625 1.00 0.00 H new ATOM 0 HG2 GLU A 51 -5.253 0.210 -9.795 1.00 0.00 H new ATOM 0 HG3 GLU A 51 -6.150 -0.441 -8.437 1.00 0.00 H new ATOM 836 N GLU A 52 -3.609 3.971 -9.332 1.00 0.00 N ATOM 837 CA GLU A 52 -3.256 4.835 -10.496 1.00 0.00 C ATOM 838 C GLU A 52 -1.766 4.698 -10.826 1.00 0.00 C ATOM 839 O GLU A 52 -1.310 5.142 -11.862 1.00 0.00 O ATOM 840 CB GLU A 52 -3.563 6.294 -10.159 1.00 0.00 C ATOM 841 CG GLU A 52 -3.199 7.174 -11.355 1.00 0.00 C ATOM 842 CD GLU A 52 -1.962 8.007 -11.016 1.00 0.00 C ATOM 843 OE1 GLU A 52 -0.937 7.416 -10.723 1.00 0.00 O ATOM 844 OE2 GLU A 52 -2.063 9.223 -11.058 1.00 0.00 O ATOM 0 H GLU A 52 -3.710 4.460 -8.443 1.00 0.00 H new ATOM 0 HA GLU A 52 -3.844 4.521 -11.359 1.00 0.00 H new ATOM 0 HB2 GLU A 52 -4.619 6.409 -9.916 1.00 0.00 H new ATOM 0 HB3 GLU A 52 -2.998 6.603 -9.280 1.00 0.00 H new ATOM 0 HG2 GLU A 52 -3.005 6.554 -12.230 1.00 0.00 H new ATOM 0 HG3 GLU A 52 -4.034 7.828 -11.606 1.00 0.00 H new ATOM 851 N LEU A 53 -1.001 4.098 -9.956 1.00 0.00 N ATOM 852 CA LEU A 53 0.457 3.951 -10.233 1.00 0.00 C ATOM 853 C LEU A 53 0.659 3.388 -11.643 1.00 0.00 C ATOM 854 O LEU A 53 0.810 4.127 -12.595 1.00 0.00 O ATOM 855 CB LEU A 53 1.081 3.010 -9.201 1.00 0.00 C ATOM 856 CG LEU A 53 1.481 3.818 -7.964 1.00 0.00 C ATOM 857 CD1 LEU A 53 1.522 2.902 -6.740 1.00 0.00 C ATOM 858 CD2 LEU A 53 2.861 4.443 -8.184 1.00 0.00 C ATOM 0 H LEU A 53 -1.319 3.705 -9.070 1.00 0.00 H new ATOM 0 HA LEU A 53 0.940 4.926 -10.167 1.00 0.00 H new ATOM 0 HB2 LEU A 53 0.372 2.229 -8.927 1.00 0.00 H new ATOM 0 HB3 LEU A 53 1.954 2.513 -9.624 1.00 0.00 H new ATOM 0 HG LEU A 53 0.748 4.608 -7.798 1.00 0.00 H new ATOM 0 HD11 LEU A 53 1.807 3.481 -5.862 1.00 0.00 H new ATOM 0 HD12 LEU A 53 0.537 2.463 -6.581 1.00 0.00 H new ATOM 0 HD13 LEU A 53 2.251 2.108 -6.904 1.00 0.00 H new ATOM 0 HD21 LEU A 53 3.145 5.018 -7.303 1.00 0.00 H new ATOM 0 HD22 LEU A 53 3.594 3.655 -8.355 1.00 0.00 H new ATOM 0 HD23 LEU A 53 2.828 5.102 -9.052 1.00 0.00 H new ATOM 870 N ASP A 54 0.658 2.090 -11.790 1.00 0.00 N ATOM 871 CA ASP A 54 0.846 1.501 -13.148 1.00 0.00 C ATOM 872 C ASP A 54 -0.517 1.148 -13.736 1.00 0.00 C ATOM 873 O ASP A 54 -0.668 0.992 -14.931 1.00 0.00 O ATOM 874 CB ASP A 54 1.706 0.238 -13.055 1.00 0.00 C ATOM 875 CG ASP A 54 2.474 0.054 -14.365 1.00 0.00 C ATOM 876 OD1 ASP A 54 3.294 0.903 -14.671 1.00 0.00 O ATOM 877 OD2 ASP A 54 2.222 -0.928 -15.043 1.00 0.00 O ATOM 0 H ASP A 54 0.536 1.416 -11.034 1.00 0.00 H new ATOM 0 HA ASP A 54 1.347 2.226 -13.789 1.00 0.00 H new ATOM 0 HB2 ASP A 54 2.402 0.318 -12.220 1.00 0.00 H new ATOM 0 HB3 ASP A 54 1.077 -0.631 -12.863 1.00 0.00 H new ATOM 882 N LYS A 55 -1.505 1.036 -12.892 1.00 0.00 N ATOM 883 CA LYS A 55 -2.887 0.707 -13.353 1.00 0.00 C ATOM 884 C LYS A 55 -2.850 -0.217 -14.575 1.00 0.00 C ATOM 885 O LYS A 55 -2.874 0.232 -15.704 1.00 0.00 O ATOM 886 CB LYS A 55 -3.615 2.007 -13.716 1.00 0.00 C ATOM 887 CG LYS A 55 -2.694 2.894 -14.555 1.00 0.00 C ATOM 888 CD LYS A 55 -3.507 4.029 -15.192 1.00 0.00 C ATOM 889 CE LYS A 55 -3.684 5.182 -14.172 1.00 0.00 C ATOM 890 NZ LYS A 55 -3.289 6.469 -14.810 1.00 0.00 N ATOM 0 H LYS A 55 -1.413 1.161 -11.884 1.00 0.00 H new ATOM 0 HA LYS A 55 -3.413 0.192 -12.549 1.00 0.00 H new ATOM 0 HB2 LYS A 55 -4.526 1.783 -14.272 1.00 0.00 H new ATOM 0 HB3 LYS A 55 -3.916 2.532 -12.810 1.00 0.00 H new ATOM 0 HG2 LYS A 55 -1.903 3.307 -13.930 1.00 0.00 H new ATOM 0 HG3 LYS A 55 -2.210 2.301 -15.331 1.00 0.00 H new ATOM 0 HD2 LYS A 55 -3.000 4.395 -16.085 1.00 0.00 H new ATOM 0 HD3 LYS A 55 -4.482 3.658 -15.508 1.00 0.00 H new ATOM 0 HE2 LYS A 55 -4.720 5.231 -13.838 1.00 0.00 H new ATOM 0 HE3 LYS A 55 -3.073 4.998 -13.288 1.00 0.00 H new ATOM 0 HZ1 LYS A 55 -3.564 7.261 -14.194 1.00 0.00 H new ATOM 0 HZ2 LYS A 55 -2.259 6.483 -14.954 1.00 0.00 H new ATOM 0 HZ3 LYS A 55 -3.768 6.563 -15.728 1.00 0.00 H new ATOM 904 N ASN A 56 -2.802 -1.506 -14.364 1.00 0.00 N ATOM 905 CA ASN A 56 -2.780 -2.448 -15.517 1.00 0.00 C ATOM 906 C ASN A 56 -3.831 -3.532 -15.274 1.00 0.00 C ATOM 907 O ASN A 56 -4.985 -3.379 -15.622 1.00 0.00 O ATOM 908 CB ASN A 56 -1.394 -3.095 -15.656 1.00 0.00 C ATOM 909 CG ASN A 56 -0.591 -2.912 -14.362 1.00 0.00 C ATOM 910 OD1 ASN A 56 -0.350 -1.800 -13.940 1.00 0.00 O ATOM 911 ND2 ASN A 56 -0.164 -3.961 -13.710 1.00 0.00 N ATOM 0 H ASN A 56 -2.777 -1.945 -13.444 1.00 0.00 H new ATOM 0 HA ASN A 56 -2.999 -1.905 -16.437 1.00 0.00 H new ATOM 0 HB2 ASN A 56 -1.501 -4.157 -15.879 1.00 0.00 H new ATOM 0 HB3 ASN A 56 -0.857 -2.646 -16.492 1.00 0.00 H new ATOM 0 HD21 ASN A 56 0.370 -3.844 -12.849 1.00 0.00 H new ATOM 0 HD22 ASN A 56 -0.365 -4.897 -14.062 1.00 0.00 H new ATOM 918 N GLY A 57 -3.448 -4.618 -14.666 1.00 0.00 N ATOM 919 CA GLY A 57 -4.435 -5.700 -14.388 1.00 0.00 C ATOM 920 C GLY A 57 -3.763 -6.837 -13.623 1.00 0.00 C ATOM 921 O GLY A 57 -3.905 -7.995 -13.963 1.00 0.00 O ATOM 0 H GLY A 57 -2.497 -4.805 -14.349 1.00 0.00 H new ATOM 0 HA2 GLY A 57 -5.268 -5.303 -13.808 1.00 0.00 H new ATOM 0 HA3 GLY A 57 -4.849 -6.075 -15.324 1.00 0.00 H new ATOM 925 N ASP A 58 -3.043 -6.523 -12.584 1.00 0.00 N ATOM 926 CA ASP A 58 -2.383 -7.595 -11.798 1.00 0.00 C ATOM 927 C ASP A 58 -2.850 -7.509 -10.345 1.00 0.00 C ATOM 928 O ASP A 58 -2.490 -8.321 -9.517 1.00 0.00 O ATOM 929 CB ASP A 58 -0.863 -7.430 -11.866 1.00 0.00 C ATOM 930 CG ASP A 58 -0.432 -6.245 -11.002 1.00 0.00 C ATOM 931 OD1 ASP A 58 -1.097 -5.223 -11.055 1.00 0.00 O ATOM 932 OD2 ASP A 58 0.556 -6.383 -10.300 1.00 0.00 O ATOM 0 H ASP A 58 -2.884 -5.573 -12.247 1.00 0.00 H new ATOM 0 HA ASP A 58 -2.650 -8.568 -12.211 1.00 0.00 H new ATOM 0 HB2 ASP A 58 -0.373 -8.341 -11.521 1.00 0.00 H new ATOM 0 HB3 ASP A 58 -0.551 -7.272 -12.898 1.00 0.00 H new ATOM 937 N GLY A 59 -3.652 -6.526 -10.027 1.00 0.00 N ATOM 938 CA GLY A 59 -4.138 -6.392 -8.633 1.00 0.00 C ATOM 939 C GLY A 59 -2.940 -6.352 -7.690 1.00 0.00 C ATOM 940 O GLY A 59 -3.046 -6.672 -6.524 1.00 0.00 O ATOM 0 H GLY A 59 -3.988 -5.814 -10.676 1.00 0.00 H new ATOM 0 HA2 GLY A 59 -4.731 -5.484 -8.527 1.00 0.00 H new ATOM 0 HA3 GLY A 59 -4.789 -7.229 -8.379 1.00 0.00 H new ATOM 944 N GLU A 60 -1.794 -5.973 -8.185 1.00 0.00 N ATOM 945 CA GLU A 60 -0.595 -5.930 -7.310 1.00 0.00 C ATOM 946 C GLU A 60 0.380 -4.854 -7.800 1.00 0.00 C ATOM 947 O GLU A 60 0.415 -4.503 -8.961 1.00 0.00 O ATOM 948 CB GLU A 60 0.092 -7.302 -7.337 1.00 0.00 C ATOM 949 CG GLU A 60 1.523 -7.189 -6.807 1.00 0.00 C ATOM 950 CD GLU A 60 2.239 -8.531 -6.970 1.00 0.00 C ATOM 951 OE1 GLU A 60 1.849 -9.474 -6.301 1.00 0.00 O ATOM 952 OE2 GLU A 60 3.166 -8.595 -7.762 1.00 0.00 O ATOM 0 H GLU A 60 -1.639 -5.693 -9.153 1.00 0.00 H new ATOM 0 HA GLU A 60 -0.899 -5.687 -6.292 1.00 0.00 H new ATOM 0 HB2 GLU A 60 -0.473 -8.011 -6.732 1.00 0.00 H new ATOM 0 HB3 GLU A 60 0.104 -7.691 -8.355 1.00 0.00 H new ATOM 0 HG2 GLU A 60 2.061 -6.410 -7.348 1.00 0.00 H new ATOM 0 HG3 GLU A 60 1.510 -6.897 -5.757 1.00 0.00 H new ATOM 959 N VAL A 61 1.188 -4.354 -6.912 1.00 0.00 N ATOM 960 CA VAL A 61 2.190 -3.328 -7.285 1.00 0.00 C ATOM 961 C VAL A 61 3.557 -3.878 -6.892 1.00 0.00 C ATOM 962 O VAL A 61 3.713 -5.058 -6.645 1.00 0.00 O ATOM 963 CB VAL A 61 1.927 -2.022 -6.520 1.00 0.00 C ATOM 964 CG1 VAL A 61 1.070 -1.081 -7.366 1.00 0.00 C ATOM 965 CG2 VAL A 61 1.205 -2.327 -5.208 1.00 0.00 C ATOM 0 H VAL A 61 1.195 -4.619 -5.927 1.00 0.00 H new ATOM 0 HA VAL A 61 2.138 -3.113 -8.352 1.00 0.00 H new ATOM 0 HB VAL A 61 2.882 -1.541 -6.306 1.00 0.00 H new ATOM 0 HG11 VAL A 61 0.890 -0.158 -6.814 1.00 0.00 H new ATOM 0 HG12 VAL A 61 1.591 -0.852 -8.296 1.00 0.00 H new ATOM 0 HG13 VAL A 61 0.118 -1.561 -7.592 1.00 0.00 H new ATOM 0 HG21 VAL A 61 1.021 -1.397 -4.669 1.00 0.00 H new ATOM 0 HG22 VAL A 61 0.255 -2.817 -5.421 1.00 0.00 H new ATOM 0 HG23 VAL A 61 1.823 -2.984 -4.597 1.00 0.00 H new ATOM 975 N SER A 62 4.541 -3.045 -6.817 1.00 0.00 N ATOM 976 CA SER A 62 5.882 -3.530 -6.425 1.00 0.00 C ATOM 977 C SER A 62 6.581 -2.427 -5.615 1.00 0.00 C ATOM 978 O SER A 62 6.058 -1.344 -5.447 1.00 0.00 O ATOM 979 CB SER A 62 6.670 -3.888 -7.693 1.00 0.00 C ATOM 980 OG SER A 62 6.937 -2.705 -8.440 1.00 0.00 O ATOM 0 H SER A 62 4.477 -2.046 -7.010 1.00 0.00 H new ATOM 0 HA SER A 62 5.814 -4.424 -5.805 1.00 0.00 H new ATOM 0 HB2 SER A 62 7.605 -4.380 -7.425 1.00 0.00 H new ATOM 0 HB3 SER A 62 6.101 -4.593 -8.300 1.00 0.00 H new ATOM 0 HG SER A 62 7.441 -2.935 -9.248 1.00 0.00 H new ATOM 986 N PHE A 63 7.745 -2.701 -5.101 1.00 0.00 N ATOM 987 CA PHE A 63 8.484 -1.688 -4.285 1.00 0.00 C ATOM 988 C PHE A 63 8.848 -0.489 -5.174 1.00 0.00 C ATOM 989 O PHE A 63 9.304 0.529 -4.697 1.00 0.00 O ATOM 990 CB PHE A 63 9.759 -2.363 -3.765 1.00 0.00 C ATOM 991 CG PHE A 63 10.248 -1.816 -2.428 1.00 0.00 C ATOM 992 CD1 PHE A 63 9.379 -1.629 -1.336 1.00 0.00 C ATOM 993 CD2 PHE A 63 11.616 -1.550 -2.273 1.00 0.00 C ATOM 994 CE1 PHE A 63 9.883 -1.179 -0.107 1.00 0.00 C ATOM 995 CE2 PHE A 63 12.112 -1.092 -1.047 1.00 0.00 C ATOM 996 CZ PHE A 63 11.248 -0.910 0.036 1.00 0.00 C ATOM 0 H PHE A 63 8.226 -3.594 -5.210 1.00 0.00 H new ATOM 0 HA PHE A 63 7.876 -1.331 -3.454 1.00 0.00 H new ATOM 0 HB2 PHE A 63 9.576 -3.433 -3.663 1.00 0.00 H new ATOM 0 HB3 PHE A 63 10.549 -2.244 -4.506 1.00 0.00 H new ATOM 0 HD1 PHE A 63 8.324 -1.832 -1.445 1.00 0.00 H new ATOM 0 HD2 PHE A 63 12.290 -1.699 -3.104 1.00 0.00 H new ATOM 0 HE1 PHE A 63 9.216 -1.040 0.731 1.00 0.00 H new ATOM 0 HE2 PHE A 63 13.165 -0.879 -0.938 1.00 0.00 H new ATOM 0 HZ PHE A 63 11.634 -0.562 0.983 1.00 0.00 H new ATOM 1006 N GLU A 64 8.650 -0.603 -6.467 1.00 0.00 N ATOM 1007 CA GLU A 64 8.984 0.530 -7.384 1.00 0.00 C ATOM 1008 C GLU A 64 7.862 1.573 -7.356 1.00 0.00 C ATOM 1009 O GLU A 64 8.107 2.762 -7.406 1.00 0.00 O ATOM 1010 CB GLU A 64 9.142 0.013 -8.814 1.00 0.00 C ATOM 1011 CG GLU A 64 9.940 1.026 -9.636 1.00 0.00 C ATOM 1012 CD GLU A 64 9.297 1.174 -11.017 1.00 0.00 C ATOM 1013 OE1 GLU A 64 9.082 0.161 -11.661 1.00 0.00 O ATOM 1014 OE2 GLU A 64 9.027 2.299 -11.403 1.00 0.00 O ATOM 0 H GLU A 64 8.272 -1.432 -6.925 1.00 0.00 H new ATOM 0 HA GLU A 64 9.917 0.985 -7.051 1.00 0.00 H new ATOM 0 HB2 GLU A 64 9.652 -0.950 -8.810 1.00 0.00 H new ATOM 0 HB3 GLU A 64 8.163 -0.147 -9.265 1.00 0.00 H new ATOM 0 HG2 GLU A 64 9.961 1.989 -9.127 1.00 0.00 H new ATOM 0 HG3 GLU A 64 10.974 0.696 -9.737 1.00 0.00 H new ATOM 1021 N GLU A 65 6.636 1.136 -7.273 1.00 0.00 N ATOM 1022 CA GLU A 65 5.495 2.098 -7.237 1.00 0.00 C ATOM 1023 C GLU A 65 5.199 2.432 -5.778 1.00 0.00 C ATOM 1024 O GLU A 65 4.659 3.470 -5.452 1.00 0.00 O ATOM 1025 CB GLU A 65 4.265 1.454 -7.881 1.00 0.00 C ATOM 1026 CG GLU A 65 4.682 0.722 -9.159 1.00 0.00 C ATOM 1027 CD GLU A 65 4.754 1.712 -10.324 1.00 0.00 C ATOM 1028 OE1 GLU A 65 5.789 2.339 -10.479 1.00 0.00 O ATOM 1029 OE2 GLU A 65 3.774 1.825 -11.042 1.00 0.00 O ATOM 0 H GLU A 65 6.373 0.152 -7.228 1.00 0.00 H new ATOM 0 HA GLU A 65 5.745 3.006 -7.786 1.00 0.00 H new ATOM 0 HB2 GLU A 65 3.800 0.756 -7.185 1.00 0.00 H new ATOM 0 HB3 GLU A 65 3.521 2.216 -8.112 1.00 0.00 H new ATOM 0 HG2 GLU A 65 5.651 0.244 -9.015 1.00 0.00 H new ATOM 0 HG3 GLU A 65 3.967 -0.069 -9.386 1.00 0.00 H new ATOM 1036 N PHE A 66 5.567 1.542 -4.905 1.00 0.00 N ATOM 1037 CA PHE A 66 5.348 1.749 -3.444 1.00 0.00 C ATOM 1038 C PHE A 66 6.247 2.890 -2.921 1.00 0.00 C ATOM 1039 O PHE A 66 6.219 3.223 -1.754 1.00 0.00 O ATOM 1040 CB PHE A 66 5.711 0.444 -2.728 1.00 0.00 C ATOM 1041 CG PHE A 66 5.265 0.517 -1.294 1.00 0.00 C ATOM 1042 CD1 PHE A 66 3.938 0.232 -0.973 1.00 0.00 C ATOM 1043 CD2 PHE A 66 6.163 0.906 -0.294 1.00 0.00 C ATOM 1044 CE1 PHE A 66 3.497 0.343 0.347 1.00 0.00 C ATOM 1045 CE2 PHE A 66 5.725 1.007 1.028 1.00 0.00 C ATOM 1046 CZ PHE A 66 4.390 0.732 1.348 1.00 0.00 C ATOM 0 H PHE A 66 6.020 0.660 -5.144 1.00 0.00 H new ATOM 0 HA PHE A 66 4.309 2.020 -3.258 1.00 0.00 H new ATOM 0 HB2 PHE A 66 5.234 -0.401 -3.225 1.00 0.00 H new ATOM 0 HB3 PHE A 66 6.787 0.277 -2.777 1.00 0.00 H new ATOM 0 HD1 PHE A 66 3.250 -0.075 -1.747 1.00 0.00 H new ATOM 0 HD2 PHE A 66 7.190 1.127 -0.544 1.00 0.00 H new ATOM 0 HE1 PHE A 66 2.468 0.129 0.594 1.00 0.00 H new ATOM 0 HE2 PHE A 66 6.417 1.298 1.805 1.00 0.00 H new ATOM 0 HZ PHE A 66 4.051 0.821 2.369 1.00 0.00 H new ATOM 1056 N GLN A 67 7.042 3.480 -3.777 1.00 0.00 N ATOM 1057 CA GLN A 67 7.954 4.593 -3.345 1.00 0.00 C ATOM 1058 C GLN A 67 7.203 5.907 -3.314 1.00 0.00 C ATOM 1059 O GLN A 67 7.281 6.662 -2.369 1.00 0.00 O ATOM 1060 CB GLN A 67 9.123 4.717 -4.322 1.00 0.00 C ATOM 1061 CG GLN A 67 9.911 3.416 -4.321 1.00 0.00 C ATOM 1062 CD GLN A 67 10.503 3.187 -2.920 1.00 0.00 C ATOM 1063 OE1 GLN A 67 10.756 4.136 -2.205 1.00 0.00 O ATOM 1064 NE2 GLN A 67 10.733 1.970 -2.480 1.00 0.00 N ATOM 0 H GLN A 67 7.102 3.239 -4.766 1.00 0.00 H new ATOM 0 HA GLN A 67 8.327 4.364 -2.347 1.00 0.00 H new ATOM 0 HB2 GLN A 67 8.754 4.933 -5.325 1.00 0.00 H new ATOM 0 HB3 GLN A 67 9.768 5.548 -4.034 1.00 0.00 H new ATOM 0 HG2 GLN A 67 9.263 2.584 -4.596 1.00 0.00 H new ATOM 0 HG3 GLN A 67 10.708 3.458 -5.064 1.00 0.00 H new ATOM 0 HE21 GLN A 67 10.524 1.166 -3.072 1.00 0.00 H new ATOM 0 HE22 GLN A 67 11.120 1.830 -1.547 1.00 0.00 H new ATOM 1073 N VAL A 68 6.499 6.190 -4.359 1.00 0.00 N ATOM 1074 CA VAL A 68 5.731 7.471 -4.421 1.00 0.00 C ATOM 1075 C VAL A 68 5.109 7.748 -3.043 1.00 0.00 C ATOM 1076 O VAL A 68 5.223 8.828 -2.498 1.00 0.00 O ATOM 1077 CB VAL A 68 4.628 7.348 -5.471 1.00 0.00 C ATOM 1078 CG1 VAL A 68 4.200 8.743 -5.916 1.00 0.00 C ATOM 1079 CG2 VAL A 68 5.157 6.567 -6.678 1.00 0.00 C ATOM 0 H VAL A 68 6.415 5.594 -5.182 1.00 0.00 H new ATOM 0 HA VAL A 68 6.395 8.292 -4.693 1.00 0.00 H new ATOM 0 HB VAL A 68 3.774 6.821 -5.045 1.00 0.00 H new ATOM 0 HG11 VAL A 68 3.413 8.660 -6.665 1.00 0.00 H new ATOM 0 HG12 VAL A 68 3.826 9.300 -5.057 1.00 0.00 H new ATOM 0 HG13 VAL A 68 5.055 9.267 -6.344 1.00 0.00 H new ATOM 0 HG21 VAL A 68 4.370 6.479 -7.427 1.00 0.00 H new ATOM 0 HG22 VAL A 68 6.010 7.094 -7.107 1.00 0.00 H new ATOM 0 HG23 VAL A 68 5.468 5.572 -6.360 1.00 0.00 H new ATOM 1089 N LEU A 69 4.481 6.758 -2.474 1.00 0.00 N ATOM 1090 CA LEU A 69 3.864 6.898 -1.116 1.00 0.00 C ATOM 1091 C LEU A 69 4.939 7.212 -0.103 1.00 0.00 C ATOM 1092 O LEU A 69 4.747 8.002 0.776 1.00 0.00 O ATOM 1093 CB LEU A 69 3.282 5.547 -0.719 1.00 0.00 C ATOM 1094 CG LEU A 69 1.941 5.693 0.013 1.00 0.00 C ATOM 1095 CD1 LEU A 69 1.802 4.539 1.000 1.00 0.00 C ATOM 1096 CD2 LEU A 69 1.886 7.006 0.796 1.00 0.00 C ATOM 0 H LEU A 69 4.365 5.838 -2.898 1.00 0.00 H new ATOM 0 HA LEU A 69 3.109 7.684 -1.141 1.00 0.00 H new ATOM 0 HB2 LEU A 69 3.144 4.935 -1.611 1.00 0.00 H new ATOM 0 HB3 LEU A 69 3.990 5.021 -0.078 1.00 0.00 H new ATOM 0 HG LEU A 69 1.136 5.686 -0.722 1.00 0.00 H new ATOM 0 HD11 LEU A 69 0.854 4.626 1.530 1.00 0.00 H new ATOM 0 HD12 LEU A 69 1.830 3.593 0.460 1.00 0.00 H new ATOM 0 HD13 LEU A 69 2.623 4.572 1.717 1.00 0.00 H new ATOM 0 HD21 LEU A 69 0.926 7.086 1.306 1.00 0.00 H new ATOM 0 HD22 LEU A 69 2.690 7.025 1.532 1.00 0.00 H new ATOM 0 HD23 LEU A 69 2.003 7.844 0.109 1.00 0.00 H new ATOM 1108 N VAL A 70 6.049 6.554 -0.193 1.00 0.00 N ATOM 1109 CA VAL A 70 7.126 6.784 0.792 1.00 0.00 C ATOM 1110 C VAL A 70 7.288 8.287 1.029 1.00 0.00 C ATOM 1111 O VAL A 70 7.641 8.723 2.106 1.00 0.00 O ATOM 1112 CB VAL A 70 8.432 6.211 0.260 1.00 0.00 C ATOM 1113 CG1 VAL A 70 9.589 6.664 1.150 1.00 0.00 C ATOM 1114 CG2 VAL A 70 8.353 4.685 0.250 1.00 0.00 C ATOM 0 H VAL A 70 6.259 5.861 -0.912 1.00 0.00 H new ATOM 0 HA VAL A 70 6.870 6.293 1.731 1.00 0.00 H new ATOM 0 HB VAL A 70 8.600 6.569 -0.756 1.00 0.00 H new ATOM 0 HG11 VAL A 70 10.524 6.253 0.769 1.00 0.00 H new ATOM 0 HG12 VAL A 70 9.644 7.753 1.149 1.00 0.00 H new ATOM 0 HG13 VAL A 70 9.426 6.310 2.168 1.00 0.00 H new ATOM 0 HG21 VAL A 70 9.288 4.275 -0.131 1.00 0.00 H new ATOM 0 HG22 VAL A 70 8.184 4.323 1.264 1.00 0.00 H new ATOM 0 HG23 VAL A 70 7.530 4.367 -0.390 1.00 0.00 H new ATOM 1124 N LYS A 71 7.014 9.086 0.030 1.00 0.00 N ATOM 1125 CA LYS A 71 7.128 10.563 0.196 1.00 0.00 C ATOM 1126 C LYS A 71 5.805 11.100 0.742 1.00 0.00 C ATOM 1127 O LYS A 71 5.418 12.224 0.488 1.00 0.00 O ATOM 1128 CB LYS A 71 7.420 11.203 -1.148 1.00 0.00 C ATOM 1129 CG LYS A 71 8.753 11.950 -1.080 1.00 0.00 C ATOM 1130 CD LYS A 71 8.847 12.937 -2.246 1.00 0.00 C ATOM 1131 CE LYS A 71 8.502 12.219 -3.552 1.00 0.00 C ATOM 1132 NZ LYS A 71 8.706 13.150 -4.699 1.00 0.00 N ATOM 0 H LYS A 71 6.716 8.777 -0.895 1.00 0.00 H new ATOM 0 HA LYS A 71 7.937 10.798 0.887 1.00 0.00 H new ATOM 0 HB2 LYS A 71 7.458 10.440 -1.925 1.00 0.00 H new ATOM 0 HB3 LYS A 71 6.619 11.891 -1.416 1.00 0.00 H new ATOM 0 HG2 LYS A 71 8.836 12.482 -0.132 1.00 0.00 H new ATOM 0 HG3 LYS A 71 9.581 11.242 -1.122 1.00 0.00 H new ATOM 0 HD2 LYS A 71 8.164 13.771 -2.086 1.00 0.00 H new ATOM 0 HD3 LYS A 71 9.852 13.354 -2.303 1.00 0.00 H new ATOM 0 HE2 LYS A 71 9.129 11.336 -3.671 1.00 0.00 H new ATOM 0 HE3 LYS A 71 7.468 11.875 -3.528 1.00 0.00 H new ATOM 0 HZ1 LYS A 71 8.472 12.663 -5.587 1.00 0.00 H new ATOM 0 HZ2 LYS A 71 8.090 13.980 -4.586 1.00 0.00 H new ATOM 0 HZ3 LYS A 71 9.699 13.457 -4.724 1.00 0.00 H new ATOM 1146 N LYS A 72 5.106 10.287 1.483 1.00 0.00 N ATOM 1147 CA LYS A 72 3.804 10.700 2.048 1.00 0.00 C ATOM 1148 C LYS A 72 3.727 10.277 3.523 1.00 0.00 C ATOM 1149 O LYS A 72 2.668 10.276 4.119 1.00 0.00 O ATOM 1150 CB LYS A 72 2.688 10.009 1.275 1.00 0.00 C ATOM 1151 CG LYS A 72 2.426 10.765 -0.025 1.00 0.00 C ATOM 1152 CD LYS A 72 3.488 10.392 -1.064 1.00 0.00 C ATOM 1153 CE LYS A 72 2.812 10.146 -2.418 1.00 0.00 C ATOM 1154 NZ LYS A 72 3.087 11.295 -3.326 1.00 0.00 N ATOM 0 H LYS A 72 5.392 9.338 1.722 1.00 0.00 H new ATOM 0 HA LYS A 72 3.699 11.782 1.972 1.00 0.00 H new ATOM 0 HB2 LYS A 72 2.966 8.977 1.059 1.00 0.00 H new ATOM 0 HB3 LYS A 72 1.780 9.975 1.878 1.00 0.00 H new ATOM 0 HG2 LYS A 72 1.433 10.523 -0.403 1.00 0.00 H new ATOM 0 HG3 LYS A 72 2.444 11.839 0.158 1.00 0.00 H new ATOM 0 HD2 LYS A 72 4.223 11.192 -1.152 1.00 0.00 H new ATOM 0 HD3 LYS A 72 4.026 9.499 -0.746 1.00 0.00 H new ATOM 0 HE2 LYS A 72 3.185 9.222 -2.860 1.00 0.00 H new ATOM 0 HE3 LYS A 72 1.737 10.024 -2.283 1.00 0.00 H new ATOM 0 HZ1 LYS A 72 2.629 11.129 -4.245 1.00 0.00 H new ATOM 0 HZ2 LYS A 72 2.711 12.168 -2.904 1.00 0.00 H new ATOM 0 HZ3 LYS A 72 4.113 11.391 -3.463 1.00 0.00 H new ATOM 1168 N ILE A 73 4.831 9.875 4.106 1.00 0.00 N ATOM 1169 CA ILE A 73 4.798 9.408 5.525 1.00 0.00 C ATOM 1170 C ILE A 73 5.776 10.149 6.385 1.00 0.00 C ATOM 1171 O ILE A 73 5.500 10.500 7.514 1.00 0.00 O ATOM 1172 CB ILE A 73 5.318 7.977 5.620 1.00 0.00 C ATOM 1173 CG1 ILE A 73 5.091 7.228 4.320 1.00 0.00 C ATOM 1174 CG2 ILE A 73 4.690 7.274 6.807 1.00 0.00 C ATOM 1175 CD1 ILE A 73 3.718 6.552 4.313 1.00 0.00 C ATOM 0 H ILE A 73 5.749 9.851 3.662 1.00 0.00 H new ATOM 0 HA ILE A 73 3.764 9.541 5.844 1.00 0.00 H new ATOM 0 HB ILE A 73 6.396 8.000 5.782 1.00 0.00 H new ATOM 0 HG12 ILE A 73 5.165 7.918 3.480 1.00 0.00 H new ATOM 0 HG13 ILE A 73 5.871 6.478 4.186 1.00 0.00 H new ATOM 0 HG21 ILE A 73 5.067 6.253 6.867 1.00 0.00 H new ATOM 0 HG22 ILE A 73 4.944 7.809 7.722 1.00 0.00 H new ATOM 0 HG23 ILE A 73 3.607 7.254 6.687 1.00 0.00 H new ATOM 0 HD11 ILE A 73 3.578 6.022 3.371 1.00 0.00 H new ATOM 0 HD12 ILE A 73 3.656 5.845 5.140 1.00 0.00 H new ATOM 0 HD13 ILE A 73 2.940 7.307 4.423 1.00 0.00 H new ATOM 1187 N SER A 74 6.971 10.225 5.900 1.00 0.00 N ATOM 1188 CA SER A 74 8.057 10.758 6.715 1.00 0.00 C ATOM 1189 C SER A 74 7.583 11.894 7.633 1.00 0.00 C ATOM 1190 O SER A 74 8.106 12.084 8.713 1.00 0.00 O ATOM 1191 CB SER A 74 9.203 11.239 5.824 1.00 0.00 C ATOM 1192 OG SER A 74 10.442 10.815 6.378 1.00 0.00 O ATOM 0 H SER A 74 7.237 9.934 4.959 1.00 0.00 H new ATOM 0 HA SER A 74 8.414 9.949 7.353 1.00 0.00 H new ATOM 0 HB2 SER A 74 9.087 10.840 4.816 1.00 0.00 H new ATOM 0 HB3 SER A 74 9.182 12.326 5.741 1.00 0.00 H new ATOM 0 HG SER A 74 11.177 11.121 5.807 1.00 0.00 H new ATOM 1198 N GLN A 75 6.600 12.649 7.221 1.00 0.00 N ATOM 1199 CA GLN A 75 6.108 13.761 8.084 1.00 0.00 C ATOM 1200 C GLN A 75 4.957 13.261 8.959 1.00 0.00 C ATOM 1201 O GLN A 75 5.145 12.265 9.640 1.00 0.00 O ATOM 1202 CB GLN A 75 5.617 14.915 7.208 1.00 0.00 C ATOM 1203 CG GLN A 75 4.581 14.394 6.211 1.00 0.00 C ATOM 1204 CD GLN A 75 3.218 15.020 6.514 1.00 0.00 C ATOM 1205 OE1 GLN A 75 3.058 15.704 7.503 1.00 0.00 O ATOM 1206 NE2 GLN A 75 2.225 14.814 5.693 1.00 0.00 N ATOM 1207 OXT GLN A 75 3.906 13.883 8.937 1.00 0.00 O ATOM 0 H GLN A 75 6.118 12.544 6.328 1.00 0.00 H new ATOM 0 HA GLN A 75 6.923 14.110 8.719 1.00 0.00 H new ATOM 0 HB2 GLN A 75 5.179 15.696 7.829 1.00 0.00 H new ATOM 0 HB3 GLN A 75 6.456 15.364 6.676 1.00 0.00 H new ATOM 0 HG2 GLN A 75 4.886 14.637 5.193 1.00 0.00 H new ATOM 0 HG3 GLN A 75 4.516 13.308 6.273 1.00 0.00 H new ATOM 0 HE21 GLN A 75 2.361 14.239 4.862 1.00 0.00 H new ATOM 0 HE22 GLN A 75 1.312 15.228 5.882 1.00 0.00 H new