USER MOD reduce.3.24.130724 H: found=0, std=0, add=265, rem=0, adj=7 USER MOD reduce.3.24.130724 removed 265 hydrogens (0 hets) USER MOD ----------------------------------------------------------------- USER MOD scores for adjustable sidechains, with "set" totals for H,N and Q USER MOD "o" means original, "f" means flipped, "180deg" is methyl default USER MOD "!" flags a clash with an overlap of 0.40A or greater USER MOD flip categories: "K"=keep, "C"=clashes, "X"=uncertain, "F"=flip USER MOD Single : A 30 THR OG1 : rot 37:sc= 0.373 USER MOD Single : A 33 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 34 SER OG : rot 180:sc= 0 USER MOD Single : A 39 HIS : no HE2:sc= -7.66! C(o=-7.7!,f=-11!) USER MOD Single : A 47 TYR OH : rot 150:sc= -1.71! USER MOD Single : A 48 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 49 GLN : amide:sc= -5.28 K(o=-5.3,f=-6.3!) USER MOD Single : A 52 THR OG1 : rot 20:sc= 0.503 USER MOD Single : A 58 THR OG1 : rot 180:sc= 0 USER MOD Single : A 59 LYS NZ :NH3+ -157:sc= -0.0628 (180deg=-0.566) USER MOD Single : A 62 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 63 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD ----------------------------------------------------------------- ATOM 33 N THR A 30 -7.947 -10.037 6.410 1.00 50.00 N ATOM 34 CA THR A 30 -7.083 -10.804 5.465 1.00 50.00 C ATOM 35 C THR A 30 -6.969 -10.057 4.134 1.00 50.00 C ATOM 36 O THR A 30 -7.926 -9.938 3.393 1.00 50.00 O ATOM 37 CB THR A 30 -7.792 -12.145 5.270 1.00 0.00 C ATOM 38 OG1 THR A 30 -8.082 -12.713 6.539 1.00 0.00 O ATOM 39 CG2 THR A 30 -6.886 -13.090 4.480 1.00 0.00 C ATOM 0 HA THR A 30 -6.070 -10.935 5.846 1.00 50.00 H new ATOM 0 HB THR A 30 -8.721 -11.991 4.720 1.00 0.00 H new ATOM 0 HG1 THR A 30 -8.331 -12.002 7.166 1.00 0.00 H new ATOM 0 HG21 THR A 30 -7.391 -14.046 4.341 1.00 0.00 H new ATOM 0 HG22 THR A 30 -6.663 -12.652 3.507 1.00 0.00 H new ATOM 0 HG23 THR A 30 -5.957 -13.247 5.028 1.00 0.00 H new ATOM 47 N CYS A 31 -5.807 -9.550 3.826 1.00 50.00 N ATOM 48 CA CYS A 31 -5.634 -8.808 2.545 1.00 50.00 C ATOM 49 C CYS A 31 -5.538 -9.785 1.370 1.00 50.00 C ATOM 50 O CYS A 31 -5.479 -9.386 0.223 1.00 50.00 O ATOM 51 CB CYS A 31 -4.327 -8.035 2.711 1.00 0.00 C ATOM 52 SG CYS A 31 -4.564 -6.711 3.923 1.00 0.00 S ATOM 0 H CYS A 31 -4.970 -9.617 4.405 1.00 50.00 H new ATOM 0 HA CYS A 31 -6.475 -8.148 2.335 1.00 50.00 H new ATOM 0 HB2 CYS A 31 -3.533 -8.706 3.039 1.00 0.00 H new ATOM 0 HB3 CYS A 31 -4.015 -7.616 1.754 1.00 0.00 H new ATOM 57 N LEU A 32 -5.525 -11.061 1.642 1.00 50.00 N ATOM 58 CA LEU A 32 -5.436 -12.059 0.536 1.00 50.00 C ATOM 59 C LEU A 32 -6.615 -11.887 -0.422 1.00 50.00 C ATOM 60 O LEU A 32 -6.458 -11.887 -1.626 1.00 50.00 O ATOM 61 CB LEU A 32 -5.500 -13.424 1.224 1.00 0.00 C ATOM 62 CG LEU A 32 -4.203 -13.673 1.998 1.00 0.00 C ATOM 63 CD1 LEU A 32 -4.144 -15.139 2.433 1.00 0.00 C ATOM 64 CD2 LEU A 32 -3.003 -13.361 1.103 1.00 0.00 C ATOM 0 H LEU A 32 -5.572 -11.457 2.581 1.00 50.00 H new ATOM 0 HA LEU A 32 -4.526 -11.943 -0.052 1.00 50.00 H new ATOM 0 HB2 LEU A 32 -6.352 -13.460 1.902 1.00 0.00 H new ATOM 0 HB3 LEU A 32 -5.649 -14.209 0.483 1.00 0.00 H new ATOM 0 HG LEU A 32 -4.177 -13.029 2.877 1.00 0.00 H new ATOM 0 HD11 LEU A 32 -3.221 -15.318 2.984 1.00 0.00 H new ATOM 0 HD12 LEU A 32 -4.998 -15.363 3.072 1.00 0.00 H new ATOM 0 HD13 LEU A 32 -4.171 -15.781 1.553 1.00 0.00 H new ATOM 0 HD21 LEU A 32 -2.081 -13.539 1.656 1.00 0.00 H new ATOM 0 HD22 LEU A 32 -3.028 -14.004 0.223 1.00 0.00 H new ATOM 0 HD23 LEU A 32 -3.043 -12.317 0.791 1.00 0.00 H new ATOM 76 N LYS A 33 -7.796 -11.738 0.108 1.00 50.00 N ATOM 77 CA LYS A 33 -8.991 -11.564 -0.767 1.00 50.00 C ATOM 78 C LYS A 33 -8.909 -10.231 -1.516 1.00 50.00 C ATOM 79 O LYS A 33 -9.331 -10.116 -2.649 1.00 50.00 O ATOM 80 CB LYS A 33 -10.184 -11.566 0.187 1.00 0.00 C ATOM 81 CG LYS A 33 -10.402 -12.978 0.732 1.00 0.00 C ATOM 82 CD LYS A 33 -11.664 -13.000 1.594 1.00 0.00 C ATOM 83 CE LYS A 33 -11.935 -14.431 2.062 1.00 0.00 C ATOM 84 NZ LYS A 33 -13.172 -14.333 2.887 1.00 0.00 N ATOM 0 H LYS A 33 -7.987 -11.729 1.110 1.00 50.00 H new ATOM 0 HA LYS A 33 -9.068 -12.349 -1.520 1.00 50.00 H new ATOM 0 HB2 LYS A 33 -10.007 -10.872 1.008 1.00 0.00 H new ATOM 0 HB3 LYS A 33 -11.079 -11.224 -0.333 1.00 0.00 H new ATOM 0 HG2 LYS A 33 -10.498 -13.687 -0.091 1.00 0.00 H new ATOM 0 HG3 LYS A 33 -9.540 -13.289 1.322 1.00 0.00 H new ATOM 0 HD2 LYS A 33 -11.542 -12.341 2.454 1.00 0.00 H new ATOM 0 HD3 LYS A 33 -12.514 -12.625 1.024 1.00 0.00 H new ATOM 0 HE2 LYS A 33 -12.076 -15.104 1.216 1.00 0.00 H new ATOM 0 HE3 LYS A 33 -11.101 -14.821 2.645 1.00 0.00 H new ATOM 0 HZ1 LYS A 33 -13.425 -15.276 3.246 1.00 0.00 H new ATOM 0 HZ2 LYS A 33 -13.005 -13.691 3.688 1.00 0.00 H new ATOM 0 HZ3 LYS A 33 -13.950 -13.964 2.304 1.00 0.00 H new ATOM 98 N SER A 34 -8.369 -9.225 -0.888 1.00 50.00 N ATOM 99 CA SER A 34 -8.260 -7.897 -1.557 1.00 50.00 C ATOM 100 C SER A 34 -7.269 -7.972 -2.723 1.00 50.00 C ATOM 101 O SER A 34 -7.343 -7.207 -3.663 1.00 50.00 O ATOM 102 CB SER A 34 -7.747 -6.949 -0.473 1.00 0.00 C ATOM 103 OG SER A 34 -7.618 -5.641 -1.010 1.00 0.00 O ATOM 0 H SER A 34 -7.998 -9.264 0.061 1.00 50.00 H new ATOM 0 HA SER A 34 -9.211 -7.563 -1.972 1.00 50.00 H new ATOM 0 HB2 SER A 34 -8.435 -6.940 0.373 1.00 0.00 H new ATOM 0 HB3 SER A 34 -6.784 -7.296 -0.097 1.00 0.00 H new ATOM 0 HG SER A 34 -7.291 -5.033 -0.315 1.00 0.00 H new ATOM 109 N GLY A 35 -6.345 -8.893 -2.671 1.00 50.00 N ATOM 110 CA GLY A 35 -5.357 -9.018 -3.780 1.00 50.00 C ATOM 111 C GLY A 35 -4.042 -8.342 -3.379 1.00 50.00 C ATOM 112 O GLY A 35 -3.021 -8.535 -4.009 1.00 50.00 O ATOM 0 H GLY A 35 -6.232 -9.563 -1.910 1.00 50.00 H new ATOM 0 HA2 GLY A 35 -5.182 -10.070 -4.007 1.00 50.00 H new ATOM 0 HA3 GLY A 35 -5.752 -8.558 -4.686 1.00 50.00 H new ATOM 116 N ALA A 36 -4.055 -7.552 -2.340 1.00 50.00 N ATOM 117 CA ALA A 36 -2.799 -6.869 -1.911 1.00 50.00 C ATOM 118 C ALA A 36 -1.819 -7.884 -1.323 1.00 50.00 C ATOM 119 O ALA A 36 -2.158 -9.027 -1.084 1.00 50.00 O ATOM 120 CB ALA A 36 -3.227 -5.868 -0.835 1.00 0.00 C ATOM 0 H ALA A 36 -4.877 -7.350 -1.771 1.00 50.00 H new ATOM 0 HA ALA A 36 -2.298 -6.381 -2.747 1.00 50.00 H new ATOM 0 HB1 ALA A 36 -2.353 -5.328 -0.472 1.00 0.00 H new ATOM 0 HB2 ALA A 36 -3.940 -5.161 -1.259 1.00 0.00 H new ATOM 0 HB3 ALA A 36 -3.693 -6.401 -0.007 1.00 0.00 H new ATOM 126 N ILE A 37 -0.608 -7.471 -1.078 1.00 50.00 N ATOM 127 CA ILE A 37 0.396 -8.402 -0.494 1.00 50.00 C ATOM 128 C ILE A 37 0.802 -7.917 0.898 1.00 50.00 C ATOM 129 O ILE A 37 0.573 -6.780 1.262 1.00 50.00 O ATOM 130 CB ILE A 37 1.588 -8.357 -1.450 1.00 0.00 C ATOM 131 CG1 ILE A 37 2.172 -6.942 -1.475 1.00 0.00 C ATOM 132 CG2 ILE A 37 1.127 -8.745 -2.856 1.00 0.00 C ATOM 133 CD1 ILE A 37 3.629 -7.001 -1.936 1.00 0.00 C ATOM 0 H ILE A 37 -0.269 -6.526 -1.258 1.00 50.00 H new ATOM 0 HA ILE A 37 0.010 -9.415 -0.382 1.00 50.00 H new ATOM 0 HB ILE A 37 2.352 -9.057 -1.111 1.00 0.00 H new ATOM 0 HG12 ILE A 37 1.592 -6.309 -2.147 1.00 0.00 H new ATOM 0 HG13 ILE A 37 2.111 -6.494 -0.483 1.00 0.00 H new ATOM 0 HG21 ILE A 37 1.976 -8.713 -3.539 1.00 0.00 H new ATOM 0 HG22 ILE A 37 0.713 -9.753 -2.838 1.00 0.00 H new ATOM 0 HG23 ILE A 37 0.363 -8.045 -3.194 1.00 0.00 H new ATOM 0 HD11 ILE A 37 4.046 -5.994 -1.954 1.00 0.00 H new ATOM 0 HD12 ILE A 37 4.204 -7.619 -1.247 1.00 0.00 H new ATOM 0 HD13 ILE A 37 3.677 -7.432 -2.936 1.00 0.00 H new ATOM 145 N CYS A 38 1.400 -8.768 1.682 1.00 50.00 N ATOM 146 CA CYS A 38 1.817 -8.348 3.049 1.00 50.00 C ATOM 147 C CYS A 38 3.339 -8.250 3.125 1.00 50.00 C ATOM 148 O CYS A 38 4.053 -9.064 2.575 1.00 50.00 O ATOM 149 CB CYS A 38 1.300 -9.447 3.976 1.00 0.00 C ATOM 150 SG CYS A 38 -0.503 -9.530 3.861 1.00 0.00 S ATOM 0 H CYS A 38 1.618 -9.734 1.437 1.00 50.00 H new ATOM 0 HA CYS A 38 1.422 -7.369 3.322 1.00 50.00 H new ATOM 0 HB2 CYS A 38 1.738 -10.406 3.700 1.00 0.00 H new ATOM 0 HB3 CYS A 38 1.601 -9.243 5.004 1.00 0.00 H new ATOM 155 N HIS A 39 3.844 -7.261 3.808 1.00 50.00 N ATOM 156 CA HIS A 39 5.325 -7.119 3.917 1.00 50.00 C ATOM 157 C HIS A 39 5.721 -6.828 5.368 1.00 50.00 C ATOM 158 O HIS A 39 4.938 -6.304 6.135 1.00 50.00 O ATOM 159 CB HIS A 39 5.691 -5.951 2.997 1.00 0.00 C ATOM 160 CG HIS A 39 5.978 -6.479 1.618 1.00 0.00 C ATOM 161 ND1 HIS A 39 7.227 -6.956 1.253 1.00 0.00 N ATOM 162 CD2 HIS A 39 5.186 -6.614 0.504 1.00 0.00 C ATOM 163 CE1 HIS A 39 7.153 -7.349 -0.031 1.00 0.00 C ATOM 164 NE2 HIS A 39 5.931 -7.163 -0.537 1.00 0.00 N ATOM 0 H HIS A 39 3.300 -6.548 4.293 1.00 50.00 H new ATOM 0 HA HIS A 39 5.850 -8.029 3.627 1.00 50.00 H new ATOM 0 HB2 HIS A 39 4.874 -5.231 2.961 1.00 0.00 H new ATOM 0 HB3 HIS A 39 6.562 -5.425 3.387 1.00 0.00 H new ATOM 0 HD1 HIS A 39 8.053 -7.001 1.850 1.00 0.00 H new ATOM 0 HD2 HIS A 39 4.144 -6.337 0.444 1.00 0.00 H new ATOM 0 HE1 HIS A 39 7.981 -7.765 -0.586 1.00 0.00 H new ATOM 172 N PRO A 40 6.928 -7.199 5.697 1.00 50.00 N ATOM 173 CA PRO A 40 7.448 -6.999 7.076 1.00 50.00 C ATOM 174 C PRO A 40 7.697 -5.516 7.366 1.00 50.00 C ATOM 175 O PRO A 40 7.786 -4.701 6.469 1.00 50.00 O ATOM 176 CB PRO A 40 8.762 -7.776 7.075 1.00 0.00 C ATOM 177 CG PRO A 40 9.182 -7.820 5.641 1.00 0.00 C ATOM 178 CD PRO A 40 7.920 -7.831 4.819 1.00 0.00 C ATOM 0 HA PRO A 40 6.749 -7.336 7.842 1.00 50.00 H new ATOM 0 HB2 PRO A 40 9.513 -7.283 7.692 1.00 0.00 H new ATOM 0 HB3 PRO A 40 8.628 -8.780 7.478 1.00 0.00 H new ATOM 0 HG2 PRO A 40 9.798 -6.956 5.392 1.00 0.00 H new ATOM 0 HG3 PRO A 40 9.782 -8.708 5.441 1.00 0.00 H new ATOM 0 HD2 PRO A 40 8.043 -7.276 3.889 1.00 0.00 H new ATOM 0 HD3 PRO A 40 7.627 -8.845 4.549 1.00 0.00 H new ATOM 186 N VAL A 41 7.818 -5.169 8.621 1.00 50.00 N ATOM 187 CA VAL A 41 8.072 -3.746 8.989 1.00 50.00 C ATOM 188 C VAL A 41 6.907 -2.854 8.535 1.00 50.00 C ATOM 189 O VAL A 41 5.855 -2.853 9.140 1.00 50.00 O ATOM 190 CB VAL A 41 9.375 -3.386 8.273 1.00 0.00 C ATOM 191 CG1 VAL A 41 9.861 -2.019 8.755 1.00 0.00 C ATOM 192 CG2 VAL A 41 10.433 -4.444 8.590 1.00 0.00 C ATOM 0 H VAL A 41 7.751 -5.813 9.409 1.00 50.00 H new ATOM 0 HA VAL A 41 8.154 -3.599 10.066 1.00 50.00 H new ATOM 0 HB VAL A 41 9.204 -3.350 7.197 1.00 0.00 H new ATOM 0 HG11 VAL A 41 10.789 -1.762 8.245 1.00 0.00 H new ATOM 0 HG12 VAL A 41 9.105 -1.265 8.534 1.00 0.00 H new ATOM 0 HG13 VAL A 41 10.035 -2.053 9.830 1.00 0.00 H new ATOM 0 HG21 VAL A 41 11.364 -4.192 8.082 1.00 0.00 H new ATOM 0 HG22 VAL A 41 10.604 -4.476 9.666 1.00 0.00 H new ATOM 0 HG23 VAL A 41 10.086 -5.419 8.249 1.00 0.00 H new ATOM 202 N PHE A 42 7.080 -2.088 7.487 1.00 50.00 N ATOM 203 CA PHE A 42 5.970 -1.204 7.024 1.00 50.00 C ATOM 204 C PHE A 42 5.898 -1.196 5.494 1.00 50.00 C ATOM 205 O PHE A 42 6.867 -1.476 4.817 1.00 50.00 O ATOM 206 CB PHE A 42 6.331 0.187 7.553 1.00 0.00 C ATOM 207 CG PHE A 42 7.442 0.776 6.713 1.00 0.00 C ATOM 208 CD1 PHE A 42 7.134 1.515 5.565 1.00 0.00 C ATOM 209 CD2 PHE A 42 8.778 0.580 7.079 1.00 0.00 C ATOM 210 CE1 PHE A 42 8.161 2.058 4.783 1.00 0.00 C ATOM 211 CE2 PHE A 42 9.807 1.120 6.297 1.00 0.00 C ATOM 212 CZ PHE A 42 9.498 1.860 5.149 1.00 0.00 C ATOM 0 H PHE A 42 7.937 -2.037 6.936 1.00 50.00 H new ATOM 0 HA PHE A 42 4.997 -1.539 7.382 1.00 50.00 H new ATOM 0 HB2 PHE A 42 5.456 0.837 7.524 1.00 0.00 H new ATOM 0 HB3 PHE A 42 6.645 0.121 8.595 1.00 0.00 H new ATOM 0 HD1 PHE A 42 6.103 1.667 5.282 1.00 0.00 H new ATOM 0 HD2 PHE A 42 9.016 0.011 7.966 1.00 0.00 H new ATOM 0 HE1 PHE A 42 7.922 2.629 3.898 1.00 0.00 H new ATOM 0 HE2 PHE A 42 10.838 0.966 6.579 1.00 0.00 H new ATOM 0 HZ PHE A 42 10.291 2.278 4.546 1.00 0.00 H new ATOM 222 N CYS A 43 4.760 -0.868 4.943 1.00 50.00 N ATOM 223 CA CYS A 43 4.636 -0.835 3.457 1.00 50.00 C ATOM 224 C CYS A 43 5.484 0.308 2.890 1.00 50.00 C ATOM 225 O CYS A 43 5.389 1.433 3.339 1.00 50.00 O ATOM 226 CB CYS A 43 3.152 -0.586 3.185 1.00 0.00 C ATOM 227 SG CYS A 43 2.169 -1.916 3.921 1.00 0.00 S ATOM 0 H CYS A 43 3.913 -0.622 5.456 1.00 50.00 H new ATOM 0 HA CYS A 43 4.983 -1.757 2.991 1.00 50.00 H new ATOM 0 HB2 CYS A 43 2.852 0.375 3.602 1.00 0.00 H new ATOM 0 HB3 CYS A 43 2.972 -0.538 2.111 1.00 0.00 H new ATOM 232 N PRO A 44 6.288 -0.021 1.919 1.00 50.00 N ATOM 233 CA PRO A 44 7.170 0.989 1.280 1.00 50.00 C ATOM 234 C PRO A 44 6.346 2.016 0.500 1.00 50.00 C ATOM 235 O PRO A 44 5.153 2.154 0.695 1.00 50.00 O ATOM 236 CB PRO A 44 8.044 0.159 0.343 1.00 0.00 C ATOM 237 CG PRO A 44 7.238 -1.067 0.067 1.00 0.00 C ATOM 238 CD PRO A 44 6.451 -1.349 1.319 1.00 0.00 C ATOM 0 HA PRO A 44 7.752 1.563 2.001 1.00 50.00 H new ATOM 0 HB2 PRO A 44 8.268 0.702 -0.575 1.00 0.00 H new ATOM 0 HB3 PRO A 44 8.998 -0.090 0.807 1.00 0.00 H new ATOM 0 HG2 PRO A 44 6.573 -0.912 -0.783 1.00 0.00 H new ATOM 0 HG3 PRO A 44 7.884 -1.908 -0.183 1.00 0.00 H new ATOM 0 HD2 PRO A 44 5.489 -1.810 1.095 1.00 0.00 H new ATOM 0 HD3 PRO A 44 6.983 -2.029 1.984 1.00 0.00 H new ATOM 246 N ARG A 45 6.980 2.742 -0.375 1.00 50.00 N ATOM 247 CA ARG A 45 6.248 3.772 -1.169 1.00 50.00 C ATOM 248 C ARG A 45 5.470 3.110 -2.306 1.00 50.00 C ATOM 249 O ARG A 45 4.416 3.567 -2.700 1.00 50.00 O ATOM 250 CB ARG A 45 7.332 4.692 -1.733 1.00 0.00 C ATOM 251 CG ARG A 45 8.183 3.917 -2.742 1.00 0.00 C ATOM 252 CD ARG A 45 9.324 4.806 -3.240 1.00 0.00 C ATOM 253 NE ARG A 45 8.688 5.739 -4.212 1.00 0.00 N ATOM 254 CZ ARG A 45 9.378 6.726 -4.711 1.00 0.00 C ATOM 255 NH1 ARG A 45 9.712 6.717 -5.974 1.00 0.00 N ATOM 256 NH2 ARG A 45 9.738 7.721 -3.949 1.00 0.00 N ATOM 0 H ARG A 45 7.977 2.668 -0.577 1.00 50.00 H new ATOM 0 HA ARG A 45 5.526 4.318 -0.562 1.00 50.00 H new ATOM 0 HB2 ARG A 45 6.876 5.557 -2.214 1.00 0.00 H new ATOM 0 HB3 ARG A 45 7.960 5.070 -0.926 1.00 0.00 H new ATOM 0 HG2 ARG A 45 8.586 3.017 -2.278 1.00 0.00 H new ATOM 0 HG3 ARG A 45 7.567 3.595 -3.581 1.00 0.00 H new ATOM 0 HD2 ARG A 45 9.789 5.349 -2.417 1.00 0.00 H new ATOM 0 HD3 ARG A 45 10.107 4.215 -3.715 1.00 0.00 H new ATOM 0 HE ARG A 45 7.715 5.606 -4.486 1.00 0.00 H new ATOM 0 HH11 ARG A 45 9.433 5.938 -6.570 1.00 0.00 H new ATOM 0 HH12 ARG A 45 10.252 7.489 -6.364 1.00 0.00 H new ATOM 0 HH21 ARG A 45 9.480 7.727 -2.962 1.00 0.00 H new ATOM 0 HH22 ARG A 45 10.278 8.493 -4.340 1.00 0.00 H new ATOM 270 N ARG A 46 5.982 2.036 -2.837 1.00 50.00 N ATOM 271 CA ARG A 46 5.268 1.349 -3.948 1.00 50.00 C ATOM 272 C ARG A 46 3.974 0.721 -3.426 1.00 50.00 C ATOM 273 O ARG A 46 3.024 0.530 -4.160 1.00 50.00 O ATOM 274 CB ARG A 46 6.232 0.271 -4.441 1.00 0.00 C ATOM 275 CG ARG A 46 5.569 -0.509 -5.576 1.00 0.00 C ATOM 276 CD ARG A 46 6.618 -1.353 -6.301 1.00 0.00 C ATOM 277 NE ARG A 46 7.561 -0.363 -6.893 1.00 0.00 N ATOM 278 CZ ARG A 46 7.321 0.139 -8.075 1.00 0.00 C ATOM 279 NH1 ARG A 46 7.870 -0.392 -9.132 1.00 0.00 N ATOM 280 NH2 ARG A 46 6.530 1.171 -8.197 1.00 0.00 N ATOM 0 H ARG A 46 6.861 1.605 -2.551 1.00 50.00 H new ATOM 0 HA ARG A 46 4.991 2.034 -4.749 1.00 50.00 H new ATOM 0 HB2 ARG A 46 7.159 0.726 -4.789 1.00 0.00 H new ATOM 0 HB3 ARG A 46 6.494 -0.402 -3.624 1.00 0.00 H new ATOM 0 HG2 ARG A 46 4.783 -1.151 -5.179 1.00 0.00 H new ATOM 0 HG3 ARG A 46 5.095 0.180 -6.275 1.00 0.00 H new ATOM 0 HD2 ARG A 46 7.131 -2.024 -5.612 1.00 0.00 H new ATOM 0 HD3 ARG A 46 6.162 -1.975 -7.072 1.00 0.00 H new ATOM 0 HE ARG A 46 8.393 -0.078 -6.376 1.00 0.00 H new ATOM 0 HH11 ARG A 46 8.486 -1.199 -9.036 1.00 0.00 H new ATOM 0 HH12 ARG A 46 7.683 -0.000 -10.055 1.00 0.00 H new ATOM 0 HH21 ARG A 46 6.100 1.585 -7.370 1.00 0.00 H new ATOM 0 HH22 ARG A 46 6.342 1.563 -9.120 1.00 0.00 H new ATOM 294 N TYR A 47 3.926 0.406 -2.160 1.00 50.00 N ATOM 295 CA TYR A 47 2.690 -0.201 -1.591 1.00 50.00 C ATOM 296 C TYR A 47 2.131 0.691 -0.482 1.00 50.00 C ATOM 297 O TYR A 47 2.843 1.470 0.120 1.00 50.00 O ATOM 298 CB TYR A 47 3.126 -1.541 -0.999 1.00 0.00 C ATOM 299 CG TYR A 47 3.661 -2.439 -2.087 1.00 0.00 C ATOM 300 CD1 TYR A 47 4.908 -2.174 -2.664 1.00 0.00 C ATOM 301 CD2 TYR A 47 2.914 -3.543 -2.510 1.00 0.00 C ATOM 302 CE1 TYR A 47 5.408 -3.013 -3.666 1.00 0.00 C ATOM 303 CE2 TYR A 47 3.413 -4.383 -3.511 1.00 0.00 C ATOM 304 CZ TYR A 47 4.661 -4.119 -4.089 1.00 0.00 C ATOM 305 OH TYR A 47 5.154 -4.947 -5.076 1.00 0.00 O ATOM 0 H TYR A 47 4.688 0.543 -1.496 1.00 50.00 H new ATOM 0 HA TYR A 47 1.914 -0.319 -2.348 1.00 50.00 H new ATOM 0 HB2 TYR A 47 3.892 -1.380 -0.240 1.00 0.00 H new ATOM 0 HB3 TYR A 47 2.282 -2.020 -0.503 1.00 0.00 H new ATOM 0 HD1 TYR A 47 5.485 -1.322 -2.336 1.00 0.00 H new ATOM 0 HD2 TYR A 47 1.952 -3.747 -2.064 1.00 0.00 H new ATOM 0 HE1 TYR A 47 6.370 -2.808 -4.113 1.00 0.00 H new ATOM 0 HE2 TYR A 47 2.836 -5.235 -3.838 1.00 0.00 H new ATOM 0 HH TYR A 47 4.818 -5.857 -4.938 1.00 0.00 H new ATOM 315 N LYS A 48 0.866 0.570 -0.194 1.00 50.00 N ATOM 316 CA LYS A 48 0.271 1.396 0.892 1.00 50.00 C ATOM 317 C LYS A 48 -0.062 0.500 2.084 1.00 50.00 C ATOM 318 O LYS A 48 -0.316 -0.677 1.932 1.00 50.00 O ATOM 319 CB LYS A 48 -1.003 1.996 0.296 1.00 0.00 C ATOM 320 CG LYS A 48 -1.512 3.112 1.211 1.00 0.00 C ATOM 321 CD LYS A 48 -2.932 3.503 0.797 1.00 0.00 C ATOM 322 CE LYS A 48 -3.394 4.706 1.624 1.00 0.00 C ATOM 323 NZ LYS A 48 -4.820 4.905 1.238 1.00 0.00 N ATOM 0 H LYS A 48 0.219 -0.064 -0.663 1.00 50.00 H new ATOM 0 HA LYS A 48 0.948 2.174 1.244 1.00 50.00 H new ATOM 0 HB2 LYS A 48 -0.802 2.390 -0.700 1.00 0.00 H new ATOM 0 HB3 LYS A 48 -1.765 1.224 0.186 1.00 0.00 H new ATOM 0 HG2 LYS A 48 -1.503 2.779 2.249 1.00 0.00 H new ATOM 0 HG3 LYS A 48 -0.852 3.977 1.149 1.00 0.00 H new ATOM 0 HD2 LYS A 48 -2.958 3.747 -0.265 1.00 0.00 H new ATOM 0 HD3 LYS A 48 -3.610 2.663 0.948 1.00 0.00 H new ATOM 0 HE2 LYS A 48 -3.296 4.513 2.692 1.00 0.00 H new ATOM 0 HE3 LYS A 48 -2.797 5.591 1.404 1.00 0.00 H new ATOM 0 HZ1 LYS A 48 -5.212 5.713 1.762 1.00 0.00 H new ATOM 0 HZ2 LYS A 48 -4.880 5.092 0.217 1.00 0.00 H new ATOM 0 HZ3 LYS A 48 -5.364 4.048 1.465 1.00 0.00 H new ATOM 337 N GLN A 49 -0.058 1.041 3.268 1.00 50.00 N ATOM 338 CA GLN A 49 -0.372 0.204 4.460 1.00 50.00 C ATOM 339 C GLN A 49 -1.854 0.329 4.819 1.00 50.00 C ATOM 340 O GLN A 49 -2.278 1.295 5.421 1.00 50.00 O ATOM 341 CB GLN A 49 0.506 0.759 5.580 1.00 0.00 C ATOM 342 CG GLN A 49 0.236 -0.022 6.866 1.00 0.00 C ATOM 343 CD GLN A 49 0.885 -1.405 6.771 1.00 0.00 C ATOM 344 OE1 GLN A 49 2.093 -1.519 6.690 1.00 0.00 O ATOM 345 NE2 GLN A 49 0.129 -2.467 6.776 1.00 0.00 N ATOM 0 H GLN A 49 0.148 2.021 3.463 1.00 50.00 H new ATOM 0 HA GLN A 49 -0.180 -0.854 4.284 1.00 50.00 H new ATOM 0 HB2 GLN A 49 1.558 0.679 5.306 1.00 0.00 H new ATOM 0 HB3 GLN A 49 0.295 1.818 5.732 1.00 0.00 H new ATOM 0 HG2 GLN A 49 0.635 0.520 7.723 1.00 0.00 H new ATOM 0 HG3 GLN A 49 -0.838 -0.123 7.024 1.00 0.00 H new ATOM 0 HE21 GLN A 49 -0.884 -2.371 6.844 1.00 0.00 H new ATOM 0 HE22 GLN A 49 0.551 -3.394 6.712 1.00 0.00 H new ATOM 354 N ILE A 50 -2.644 -0.645 4.458 1.00 50.00 N ATOM 355 CA ILE A 50 -4.098 -0.584 4.783 1.00 50.00 C ATOM 356 C ILE A 50 -4.303 -0.808 6.282 1.00 50.00 C ATOM 357 O ILE A 50 -5.245 -0.317 6.870 1.00 50.00 O ATOM 358 CB ILE A 50 -4.736 -1.719 3.983 1.00 0.00 C ATOM 359 CG1 ILE A 50 -4.544 -1.464 2.486 1.00 0.00 C ATOM 360 CG2 ILE A 50 -6.231 -1.788 4.303 1.00 0.00 C ATOM 361 CD1 ILE A 50 -4.981 -2.700 1.697 1.00 0.00 C ATOM 0 H ILE A 50 -2.346 -1.480 3.953 1.00 50.00 H new ATOM 0 HA ILE A 50 -4.538 0.382 4.535 1.00 50.00 H new ATOM 0 HB ILE A 50 -4.262 -2.663 4.251 1.00 0.00 H new ATOM 0 HG12 ILE A 50 -5.127 -0.597 2.176 1.00 0.00 H new ATOM 0 HG13 ILE A 50 -3.499 -1.236 2.276 1.00 0.00 H new ATOM 0 HG21 ILE A 50 -6.688 -2.597 3.733 1.00 0.00 H new ATOM 0 HG22 ILE A 50 -6.367 -1.973 5.369 1.00 0.00 H new ATOM 0 HG23 ILE A 50 -6.704 -0.843 4.035 1.00 0.00 H new ATOM 0 HD11 ILE A 50 -4.844 -2.518 0.631 1.00 0.00 H new ATOM 0 HD12 ILE A 50 -4.378 -3.556 1.999 1.00 0.00 H new ATOM 0 HD13 ILE A 50 -6.032 -2.907 1.898 1.00 0.00 H new ATOM 373 N GLY A 51 -3.425 -1.546 6.904 1.00 50.00 N ATOM 374 CA GLY A 51 -3.572 -1.797 8.364 1.00 50.00 C ATOM 375 C GLY A 51 -2.654 -2.945 8.786 1.00 50.00 C ATOM 376 O GLY A 51 -1.507 -2.740 9.131 1.00 50.00 O ATOM 0 H GLY A 51 -2.615 -1.984 6.466 1.00 50.00 H new ATOM 0 HA2 GLY A 51 -3.324 -0.896 8.924 1.00 50.00 H new ATOM 0 HA3 GLY A 51 -4.608 -2.042 8.598 1.00 50.00 H new ATOM 380 N THR A 52 -3.150 -4.151 8.773 1.00 50.00 N ATOM 381 CA THR A 52 -2.302 -5.305 9.184 1.00 50.00 C ATOM 382 C THR A 52 -2.737 -6.581 8.452 1.00 50.00 C ATOM 383 O THR A 52 -3.903 -6.918 8.410 1.00 50.00 O ATOM 384 CB THR A 52 -2.534 -5.441 10.690 1.00 0.00 C ATOM 385 OG1 THR A 52 -3.905 -5.723 10.933 1.00 0.00 O ATOM 386 CG2 THR A 52 -2.150 -4.132 11.383 1.00 0.00 C ATOM 0 H THR A 52 -4.103 -4.387 8.496 1.00 50.00 H new ATOM 0 HA THR A 52 -1.250 -5.152 8.942 1.00 50.00 H new ATOM 0 HB THR A 52 -1.922 -6.253 11.082 1.00 0.00 H new ATOM 0 HG1 THR A 52 -4.315 -6.079 10.117 1.00 0.00 H new ATOM 0 HG21 THR A 52 -2.315 -4.227 12.456 1.00 0.00 H new ATOM 0 HG22 THR A 52 -1.098 -3.916 11.195 1.00 0.00 H new ATOM 0 HG23 THR A 52 -2.763 -3.320 10.992 1.00 0.00 H new ATOM 394 N CYS A 53 -1.806 -7.292 7.876 1.00 50.00 N ATOM 395 CA CYS A 53 -2.163 -8.546 7.150 1.00 50.00 C ATOM 396 C CYS A 53 -3.016 -9.442 8.041 1.00 50.00 C ATOM 397 O CYS A 53 -3.990 -10.025 7.610 1.00 50.00 O ATOM 398 CB CYS A 53 -0.828 -9.223 6.853 1.00 0.00 C ATOM 399 SG CYS A 53 -1.062 -10.466 5.557 1.00 0.00 S ATOM 0 H CYS A 53 -0.813 -7.059 7.876 1.00 50.00 H new ATOM 0 HA CYS A 53 -2.736 -8.349 6.244 1.00 50.00 H new ATOM 0 HB2 CYS A 53 -0.095 -8.482 6.534 1.00 0.00 H new ATOM 0 HB3 CYS A 53 -0.436 -9.692 7.756 1.00 0.00 H new ATOM 404 N GLY A 54 -2.645 -9.559 9.279 1.00 50.00 N ATOM 405 CA GLY A 54 -3.418 -10.420 10.215 1.00 50.00 C ATOM 406 C GLY A 54 -2.558 -10.718 11.442 1.00 50.00 C ATOM 407 O GLY A 54 -3.053 -10.876 12.540 1.00 50.00 O ATOM 0 H GLY A 54 -1.835 -9.094 9.689 1.00 50.00 H new ATOM 0 HA2 GLY A 54 -4.339 -9.919 10.513 1.00 50.00 H new ATOM 0 HA3 GLY A 54 -3.705 -11.349 9.722 1.00 50.00 H new ATOM 411 N LEU A 55 -1.269 -10.792 11.260 1.00 50.00 N ATOM 412 CA LEU A 55 -0.364 -11.074 12.410 1.00 50.00 C ATOM 413 C LEU A 55 0.721 -9.996 12.491 1.00 50.00 C ATOM 414 O LEU A 55 0.974 -9.297 11.530 1.00 50.00 O ATOM 415 CB LEU A 55 0.258 -12.436 12.099 1.00 0.00 C ATOM 416 CG LEU A 55 -0.793 -13.538 12.256 1.00 0.00 C ATOM 417 CD1 LEU A 55 -1.519 -13.372 13.592 1.00 0.00 C ATOM 418 CD2 LEU A 55 -1.804 -13.448 11.112 1.00 0.00 C ATOM 0 H LEU A 55 -0.802 -10.669 10.362 1.00 50.00 H new ATOM 0 HA LEU A 55 -0.890 -11.077 13.365 1.00 50.00 H new ATOM 0 HB2 LEU A 55 0.654 -12.441 11.083 1.00 0.00 H new ATOM 0 HB3 LEU A 55 1.097 -12.624 12.769 1.00 0.00 H new ATOM 0 HG LEU A 55 -0.301 -14.510 12.231 1.00 0.00 H new ATOM 0 HD11 LEU A 55 -2.266 -14.158 13.700 1.00 0.00 H new ATOM 0 HD12 LEU A 55 -0.800 -13.440 14.408 1.00 0.00 H new ATOM 0 HD13 LEU A 55 -2.009 -12.399 13.621 1.00 0.00 H new ATOM 0 HD21 LEU A 55 -2.552 -14.233 11.225 1.00 0.00 H new ATOM 0 HD22 LEU A 55 -2.294 -12.474 11.135 1.00 0.00 H new ATOM 0 HD23 LEU A 55 -1.288 -13.572 10.160 1.00 0.00 H new ATOM 430 N PRO A 56 1.327 -9.895 13.641 1.00 50.00 N ATOM 431 CA PRO A 56 2.399 -8.891 13.850 1.00 50.00 C ATOM 432 C PRO A 56 3.664 -9.292 13.085 1.00 50.00 C ATOM 433 O PRO A 56 4.596 -8.523 12.965 1.00 50.00 O ATOM 434 CB PRO A 56 2.638 -8.930 15.355 1.00 0.00 C ATOM 435 CG PRO A 56 2.189 -10.294 15.779 1.00 0.00 C ATOM 436 CD PRO A 56 1.078 -10.697 14.844 1.00 0.00 C ATOM 0 HA PRO A 56 2.131 -7.897 13.492 1.00 50.00 H new ATOM 0 HB2 PRO A 56 3.689 -8.768 15.593 1.00 0.00 H new ATOM 0 HB3 PRO A 56 2.072 -8.151 15.866 1.00 0.00 H new ATOM 0 HG2 PRO A 56 3.013 -11.005 15.729 1.00 0.00 H new ATOM 0 HG3 PRO A 56 1.840 -10.283 16.812 1.00 0.00 H new ATOM 0 HD2 PRO A 56 1.106 -11.765 14.626 1.00 0.00 H new ATOM 0 HD3 PRO A 56 0.098 -10.484 15.271 1.00 0.00 H new ATOM 444 N GLY A 57 3.704 -10.491 12.568 1.00 50.00 N ATOM 445 CA GLY A 57 4.910 -10.936 11.813 1.00 50.00 C ATOM 446 C GLY A 57 5.065 -10.089 10.548 1.00 50.00 C ATOM 447 O GLY A 57 6.144 -9.637 10.220 1.00 50.00 O ATOM 0 H GLY A 57 2.955 -11.180 12.636 1.00 50.00 H new ATOM 0 HA2 GLY A 57 5.798 -10.841 12.438 1.00 50.00 H new ATOM 0 HA3 GLY A 57 4.818 -11.989 11.549 1.00 50.00 H new ATOM 451 N THR A 58 3.994 -9.873 9.835 1.00 50.00 N ATOM 452 CA THR A 58 4.081 -9.057 8.589 1.00 50.00 C ATOM 453 C THR A 58 2.985 -7.993 8.571 1.00 50.00 C ATOM 454 O THR A 58 2.049 -8.033 9.347 1.00 50.00 O ATOM 455 CB THR A 58 3.862 -10.050 7.447 1.00 0.00 C ATOM 456 OG1 THR A 58 4.713 -11.173 7.628 1.00 0.00 O ATOM 457 CG2 THR A 58 4.179 -9.375 6.112 1.00 0.00 C ATOM 0 H THR A 58 3.064 -10.225 10.060 1.00 50.00 H new ATOM 0 HA THR A 58 5.036 -8.538 8.509 1.00 50.00 H new ATOM 0 HB THR A 58 2.823 -10.379 7.446 1.00 0.00 H new ATOM 0 HG1 THR A 58 4.573 -11.811 6.898 1.00 0.00 H new ATOM 0 HG21 THR A 58 4.022 -10.084 5.299 1.00 0.00 H new ATOM 0 HG22 THR A 58 3.524 -8.515 5.974 1.00 0.00 H new ATOM 0 HG23 THR A 58 5.217 -9.044 6.109 1.00 0.00 H new ATOM 465 N LYS A 59 3.090 -7.048 7.682 1.00 50.00 N ATOM 466 CA LYS A 59 2.053 -5.984 7.595 1.00 50.00 C ATOM 467 C LYS A 59 1.394 -6.024 6.216 1.00 50.00 C ATOM 468 O LYS A 59 2.005 -6.407 5.237 1.00 50.00 O ATOM 469 CB LYS A 59 2.812 -4.674 7.803 1.00 0.00 C ATOM 470 CG LYS A 59 3.427 -4.663 9.205 1.00 0.00 C ATOM 471 CD LYS A 59 2.316 -4.749 10.255 1.00 0.00 C ATOM 472 CE LYS A 59 2.934 -4.741 11.654 1.00 0.00 C ATOM 473 NZ LYS A 59 3.549 -6.090 11.807 1.00 0.00 N ATOM 0 H LYS A 59 3.852 -6.966 7.009 1.00 50.00 H new ATOM 0 HA LYS A 59 1.259 -6.105 8.332 1.00 50.00 H new ATOM 0 HB2 LYS A 59 3.593 -4.569 7.050 1.00 0.00 H new ATOM 0 HB3 LYS A 59 2.137 -3.826 7.683 1.00 0.00 H new ATOM 0 HG2 LYS A 59 4.114 -5.502 9.318 1.00 0.00 H new ATOM 0 HG3 LYS A 59 4.009 -3.753 9.351 1.00 0.00 H new ATOM 0 HD2 LYS A 59 1.630 -3.909 10.144 1.00 0.00 H new ATOM 0 HD3 LYS A 59 1.733 -5.658 10.109 1.00 0.00 H new ATOM 0 HE2 LYS A 59 3.680 -3.953 11.752 1.00 0.00 H new ATOM 0 HE3 LYS A 59 2.179 -4.562 12.419 1.00 0.00 H new ATOM 0 HZ1 LYS A 59 3.643 -6.316 12.818 1.00 0.00 H new ATOM 0 HZ2 LYS A 59 2.945 -6.801 11.347 1.00 0.00 H new ATOM 0 HZ3 LYS A 59 4.489 -6.095 11.363 1.00 0.00 H new ATOM 487 N CYS A 60 0.150 -5.652 6.130 1.00 50.00 N ATOM 488 CA CYS A 60 -0.546 -5.691 4.814 1.00 50.00 C ATOM 489 C CYS A 60 -0.118 -4.512 3.938 1.00 50.00 C ATOM 490 O CYS A 60 -0.090 -3.379 4.374 1.00 50.00 O ATOM 491 CB CYS A 60 -2.034 -5.602 5.154 1.00 0.00 C ATOM 492 SG CYS A 60 -2.995 -5.475 3.626 1.00 0.00 S ATOM 0 H CYS A 60 -0.416 -5.323 6.912 1.00 50.00 H new ATOM 0 HA CYS A 60 -0.307 -6.593 4.251 1.00 50.00 H new ATOM 0 HB2 CYS A 60 -2.342 -6.482 5.718 1.00 0.00 H new ATOM 0 HB3 CYS A 60 -2.222 -4.735 5.788 1.00 0.00 H new ATOM 497 N CYS A 61 0.210 -4.775 2.701 1.00 50.00 N ATOM 498 CA CYS A 61 0.636 -3.678 1.784 1.00 50.00 C ATOM 499 C CYS A 61 -0.093 -3.809 0.441 1.00 50.00 C ATOM 500 O CYS A 61 -0.185 -4.884 -0.120 1.00 50.00 O ATOM 501 CB CYS A 61 2.142 -3.879 1.606 1.00 0.00 C ATOM 502 SG CYS A 61 2.982 -3.618 3.191 1.00 0.00 S ATOM 0 H CYS A 61 0.201 -5.706 2.285 1.00 50.00 H new ATOM 0 HA CYS A 61 0.403 -2.688 2.176 1.00 50.00 H new ATOM 0 HB2 CYS A 61 2.344 -4.885 1.237 1.00 0.00 H new ATOM 0 HB3 CYS A 61 2.526 -3.183 0.860 1.00 0.00 H new ATOM 507 N LYS A 62 -0.618 -2.731 -0.075 1.00 50.00 N ATOM 508 CA LYS A 62 -1.347 -2.809 -1.376 1.00 50.00 C ATOM 509 C LYS A 62 -0.809 -1.767 -2.361 1.00 50.00 C ATOM 510 O LYS A 62 -0.490 -0.655 -1.989 1.00 50.00 O ATOM 511 CB LYS A 62 -2.804 -2.505 -1.026 1.00 0.00 C ATOM 512 CG LYS A 62 -3.688 -2.727 -2.255 1.00 0.00 C ATOM 513 CD LYS A 62 -5.090 -2.182 -1.976 1.00 0.00 C ATOM 514 CE LYS A 62 -5.928 -2.243 -3.255 1.00 0.00 C ATOM 515 NZ LYS A 62 -7.267 -1.721 -2.859 1.00 0.00 N ATOM 0 H LYS A 62 -0.575 -1.802 0.345 1.00 50.00 H new ATOM 0 HA LYS A 62 -1.228 -3.782 -1.853 1.00 50.00 H new ATOM 0 HB2 LYS A 62 -3.133 -3.147 -0.209 1.00 0.00 H new ATOM 0 HB3 LYS A 62 -2.898 -1.476 -0.680 1.00 0.00 H new ATOM 0 HG2 LYS A 62 -3.257 -2.227 -3.122 1.00 0.00 H new ATOM 0 HG3 LYS A 62 -3.739 -3.789 -2.493 1.00 0.00 H new ATOM 0 HD2 LYS A 62 -5.568 -2.765 -1.188 1.00 0.00 H new ATOM 0 HD3 LYS A 62 -5.027 -1.154 -1.619 1.00 0.00 H new ATOM 0 HE2 LYS A 62 -5.486 -1.638 -4.047 1.00 0.00 H new ATOM 0 HE3 LYS A 62 -5.997 -3.263 -3.634 1.00 0.00 H new ATOM 0 HZ1 LYS A 62 -7.901 -1.731 -3.683 1.00 0.00 H new ATOM 0 HZ2 LYS A 62 -7.665 -2.321 -2.109 1.00 0.00 H new ATOM 0 HZ3 LYS A 62 -7.170 -0.747 -2.508 1.00 0.00 H new ATOM 529 N LYS A 63 -0.717 -2.116 -3.615 1.00 50.00 N ATOM 530 CA LYS A 63 -0.209 -1.142 -4.623 1.00 50.00 C ATOM 531 C LYS A 63 -1.293 -0.109 -4.947 1.00 50.00 C ATOM 532 O LYS A 63 -2.468 -0.363 -4.767 1.00 50.00 O ATOM 533 CB LYS A 63 0.115 -1.983 -5.858 1.00 0.00 C ATOM 534 CG LYS A 63 1.252 -2.952 -5.532 1.00 0.00 C ATOM 535 CD LYS A 63 1.547 -3.818 -6.758 1.00 0.00 C ATOM 536 CE LYS A 63 2.759 -4.709 -6.473 1.00 0.00 C ATOM 537 NZ LYS A 63 2.994 -5.451 -7.743 1.00 0.00 N ATOM 0 H LYS A 63 -0.971 -3.032 -3.985 1.00 50.00 H new ATOM 0 HA LYS A 63 0.661 -0.591 -4.266 1.00 50.00 H new ATOM 0 HB2 LYS A 63 -0.769 -2.536 -6.176 1.00 0.00 H new ATOM 0 HB3 LYS A 63 0.401 -1.336 -6.687 1.00 0.00 H new ATOM 0 HG2 LYS A 63 2.145 -2.398 -5.241 1.00 0.00 H new ATOM 0 HG3 LYS A 63 0.977 -3.582 -4.686 1.00 0.00 H new ATOM 0 HD2 LYS A 63 0.680 -4.432 -7.000 1.00 0.00 H new ATOM 0 HD3 LYS A 63 1.742 -3.186 -7.625 1.00 0.00 H new ATOM 0 HE2 LYS A 63 3.630 -4.115 -6.195 1.00 0.00 H new ATOM 0 HE3 LYS A 63 2.562 -5.392 -5.647 1.00 0.00 H new ATOM 0 HZ1 LYS A 63 3.811 -6.085 -7.629 1.00 0.00 H new ATOM 0 HZ2 LYS A 63 2.151 -6.012 -7.978 1.00 0.00 H new ATOM 0 HZ3 LYS A 63 3.185 -4.775 -8.510 1.00 0.00 H new