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 30:sc= 0.386 USER MOD Single : A 33 LYS NZ :NH3+ -154:sc= -0.0996 (180deg=-1.13) USER MOD Single : A 34 SER OG : rot -31:sc= 1.05 USER MOD Single : A 39 HIS : no HE2:sc= -8.08! C(o=-8.1!,f=-9.6!) USER MOD Single : A 47 TYR OH : rot 180:sc= 0 USER MOD Single : A 48 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 49 GLN : amide:sc= -1.67 X(o=-1.7,f=-2!) USER MOD Single : A 52 THR OG1 : rot 180:sc= 0 USER MOD Single : A 58 THR OG1 : rot 180:sc= 0 USER MOD Single : A 59 LYS NZ :NH3+ 180:sc= 0 (180deg=0) 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 -7.910 -9.903 5.823 1.00 50.00 N ATOM 34 CA THR A 30 -7.118 -10.791 4.926 1.00 50.00 C ATOM 35 C THR A 30 -6.881 -10.102 3.579 1.00 50.00 C ATOM 36 O THR A 30 -7.775 -9.986 2.764 1.00 50.00 O ATOM 37 CB THR A 30 -7.983 -12.040 4.744 1.00 0.00 C ATOM 38 OG1 THR A 30 -8.383 -12.524 6.018 1.00 0.00 O ATOM 39 CG2 THR A 30 -7.179 -13.118 4.015 1.00 0.00 C ATOM 0 HA THR A 30 -6.138 -11.030 5.339 1.00 50.00 H new ATOM 0 HB THR A 30 -8.866 -11.790 4.156 1.00 0.00 H new ATOM 0 HG1 THR A 30 -8.452 -11.775 6.646 1.00 0.00 H new ATOM 0 HG21 THR A 30 -7.796 -14.007 3.886 1.00 0.00 H new ATOM 0 HG22 THR A 30 -6.872 -12.745 3.038 1.00 0.00 H new ATOM 0 HG23 THR A 30 -6.295 -13.371 4.601 1.00 0.00 H new ATOM 47 N CYS A 31 -5.684 -9.642 3.339 1.00 50.00 N ATOM 48 CA CYS A 31 -5.392 -8.958 2.047 1.00 50.00 C ATOM 49 C CYS A 31 -5.226 -9.986 0.924 1.00 50.00 C ATOM 50 O CYS A 31 -5.012 -9.640 -0.220 1.00 50.00 O ATOM 51 CB CYS A 31 -4.082 -8.208 2.285 1.00 0.00 C ATOM 52 SG CYS A 31 -4.363 -6.868 3.468 1.00 0.00 S ATOM 0 H CYS A 31 -4.895 -9.710 3.982 1.00 50.00 H new ATOM 0 HA CYS A 31 -6.198 -8.289 1.744 1.00 50.00 H new ATOM 0 HB2 CYS A 31 -3.323 -8.891 2.666 1.00 0.00 H new ATOM 0 HB3 CYS A 31 -3.705 -7.805 1.345 1.00 0.00 H new ATOM 57 N LEU A 32 -5.324 -11.248 1.242 1.00 50.00 N ATOM 58 CA LEU A 32 -5.171 -12.296 0.191 1.00 50.00 C ATOM 59 C LEU A 32 -6.285 -12.169 -0.850 1.00 50.00 C ATOM 60 O LEU A 32 -6.064 -12.325 -2.035 1.00 50.00 O ATOM 61 CB LEU A 32 -5.284 -13.625 0.938 1.00 0.00 C ATOM 62 CG LEU A 32 -4.016 -13.854 1.763 1.00 0.00 C ATOM 63 CD1 LEU A 32 -4.074 -15.236 2.415 1.00 0.00 C ATOM 64 CD2 LEU A 32 -2.792 -13.772 0.849 1.00 0.00 C ATOM 0 H LEU A 32 -5.503 -11.599 2.183 1.00 50.00 H new ATOM 0 HA LEU A 32 -4.226 -12.208 -0.345 1.00 50.00 H new ATOM 0 HB2 LEU A 32 -6.158 -13.615 1.589 1.00 0.00 H new ATOM 0 HB3 LEU A 32 -5.423 -14.442 0.230 1.00 0.00 H new ATOM 0 HG LEU A 32 -3.943 -13.090 2.537 1.00 0.00 H new ATOM 0 HD11 LEU A 32 -3.171 -15.399 3.003 1.00 0.00 H new ATOM 0 HD12 LEU A 32 -4.946 -15.295 3.066 1.00 0.00 H new ATOM 0 HD13 LEU A 32 -4.147 -16.000 1.641 1.00 0.00 H new ATOM 0 HD21 LEU A 32 -1.888 -13.935 1.436 1.00 0.00 H new ATOM 0 HD22 LEU A 32 -2.864 -14.536 0.075 1.00 0.00 H new ATOM 0 HD23 LEU A 32 -2.750 -12.787 0.384 1.00 0.00 H new ATOM 76 N LYS A 33 -7.481 -11.883 -0.416 1.00 50.00 N ATOM 77 CA LYS A 33 -8.613 -11.744 -1.376 1.00 50.00 C ATOM 78 C LYS A 33 -8.404 -10.522 -2.272 1.00 50.00 C ATOM 79 O LYS A 33 -8.633 -10.564 -3.464 1.00 50.00 O ATOM 80 CB LYS A 33 -9.853 -11.560 -0.500 1.00 0.00 C ATOM 81 CG LYS A 33 -10.203 -12.888 0.176 1.00 0.00 C ATOM 82 CD LYS A 33 -10.809 -13.842 -0.857 1.00 0.00 C ATOM 83 CE LYS A 33 -11.249 -15.134 -0.166 1.00 0.00 C ATOM 84 NZ LYS A 33 -9.994 -15.722 0.383 1.00 0.00 N ATOM 0 H LYS A 33 -7.724 -11.739 0.564 1.00 50.00 H new ATOM 0 HA LYS A 33 -8.702 -12.607 -2.036 1.00 50.00 H new ATOM 0 HB2 LYS A 33 -9.669 -10.794 0.253 1.00 0.00 H new ATOM 0 HB3 LYS A 33 -10.691 -11.216 -1.106 1.00 0.00 H new ATOM 0 HG2 LYS A 33 -9.310 -13.331 0.616 1.00 0.00 H new ATOM 0 HG3 LYS A 33 -10.909 -12.719 0.989 1.00 0.00 H new ATOM 0 HD2 LYS A 33 -11.662 -13.371 -1.346 1.00 0.00 H new ATOM 0 HD3 LYS A 33 -10.078 -14.064 -1.635 1.00 0.00 H new ATOM 0 HE2 LYS A 33 -11.970 -14.933 0.626 1.00 0.00 H new ATOM 0 HE3 LYS A 33 -11.729 -15.814 -0.869 1.00 0.00 H new ATOM 0 HZ1 LYS A 33 -10.102 -16.753 0.470 1.00 0.00 H new ATOM 0 HZ2 LYS A 33 -9.202 -15.510 -0.257 1.00 0.00 H new ATOM 0 HZ3 LYS A 33 -9.801 -15.314 1.320 1.00 0.00 H new ATOM 98 N SER A 34 -7.973 -9.433 -1.703 1.00 50.00 N ATOM 99 CA SER A 34 -7.749 -8.202 -2.516 1.00 50.00 C ATOM 100 C SER A 34 -6.534 -8.387 -3.429 1.00 50.00 C ATOM 101 O SER A 34 -6.323 -7.634 -4.358 1.00 50.00 O ATOM 102 CB SER A 34 -7.490 -7.095 -1.494 1.00 0.00 C ATOM 103 OG SER A 34 -6.251 -7.333 -0.843 1.00 0.00 O ATOM 0 H SER A 34 -7.765 -9.340 -0.709 1.00 50.00 H new ATOM 0 HA SER A 34 -8.597 -7.971 -3.160 1.00 50.00 H new ATOM 0 HB2 SER A 34 -7.472 -6.124 -1.990 1.00 0.00 H new ATOM 0 HB3 SER A 34 -8.297 -7.064 -0.762 1.00 0.00 H new ATOM 0 HG SER A 34 -6.090 -8.298 -0.788 1.00 0.00 H new ATOM 109 N GLY A 35 -5.734 -9.386 -3.171 1.00 50.00 N ATOM 110 CA GLY A 35 -4.534 -9.618 -4.025 1.00 50.00 C ATOM 111 C GLY A 35 -3.361 -8.793 -3.494 1.00 50.00 C ATOM 112 O GLY A 35 -2.298 -8.756 -4.083 1.00 50.00 O ATOM 0 H GLY A 35 -5.859 -10.050 -2.407 1.00 50.00 H new ATOM 0 HA2 GLY A 35 -4.276 -10.677 -4.027 1.00 50.00 H new ATOM 0 HA3 GLY A 35 -4.750 -9.340 -5.057 1.00 50.00 H new ATOM 116 N ALA A 36 -3.542 -8.129 -2.384 1.00 50.00 N ATOM 117 CA ALA A 36 -2.434 -7.310 -1.818 1.00 50.00 C ATOM 118 C ALA A 36 -1.348 -8.223 -1.245 1.00 50.00 C ATOM 119 O ALA A 36 -1.603 -9.354 -0.881 1.00 50.00 O ATOM 120 CB ALA A 36 -3.078 -6.481 -0.708 1.00 0.00 C ATOM 0 H ALA A 36 -4.409 -8.119 -1.846 1.00 50.00 H new ATOM 0 HA ALA A 36 -1.959 -6.680 -2.570 1.00 50.00 H new ATOM 0 HB1 ALA A 36 -2.323 -5.849 -0.241 1.00 0.00 H new ATOM 0 HB2 ALA A 36 -3.864 -5.855 -1.131 1.00 0.00 H new ATOM 0 HB3 ALA A 36 -3.508 -7.147 0.041 1.00 0.00 H new ATOM 126 N ILE A 37 -0.139 -7.743 -1.160 1.00 50.00 N ATOM 127 CA ILE A 37 0.958 -8.586 -0.609 1.00 50.00 C ATOM 128 C ILE A 37 1.288 -8.148 0.820 1.00 50.00 C ATOM 129 O ILE A 37 1.226 -6.980 1.150 1.00 50.00 O ATOM 130 CB ILE A 37 2.150 -8.343 -1.535 1.00 0.00 C ATOM 131 CG1 ILE A 37 2.595 -6.884 -1.425 1.00 0.00 C ATOM 132 CG2 ILE A 37 1.742 -8.645 -2.978 1.00 0.00 C ATOM 133 CD1 ILE A 37 4.006 -6.739 -1.998 1.00 0.00 C ATOM 0 H ILE A 37 0.137 -6.804 -1.448 1.00 50.00 H new ATOM 0 HA ILE A 37 0.688 -9.641 -0.565 1.00 50.00 H new ATOM 0 HB ILE A 37 2.974 -8.995 -1.245 1.00 0.00 H new ATOM 0 HG12 ILE A 37 1.903 -6.239 -1.966 1.00 0.00 H new ATOM 0 HG13 ILE A 37 2.579 -6.565 -0.383 1.00 0.00 H new ATOM 0 HG21 ILE A 37 2.591 -8.472 -3.640 1.00 0.00 H new ATOM 0 HG22 ILE A 37 1.426 -9.685 -3.057 1.00 0.00 H new ATOM 0 HG23 ILE A 37 0.918 -7.993 -3.267 1.00 0.00 H new ATOM 0 HD11 ILE A 37 4.325 -5.700 -1.921 1.00 0.00 H new ATOM 0 HD12 ILE A 37 4.693 -7.372 -1.437 1.00 0.00 H new ATOM 0 HD13 ILE A 37 4.006 -7.042 -3.045 1.00 0.00 H new ATOM 145 N CYS A 38 1.638 -9.072 1.668 1.00 50.00 N ATOM 146 CA CYS A 38 1.973 -8.700 3.072 1.00 50.00 C ATOM 147 C CYS A 38 3.490 -8.665 3.254 1.00 50.00 C ATOM 148 O CYS A 38 4.180 -9.624 2.970 1.00 50.00 O ATOM 149 CB CYS A 38 1.357 -9.795 3.945 1.00 0.00 C ATOM 150 SG CYS A 38 -0.321 -10.169 3.374 1.00 0.00 S ATOM 0 H CYS A 38 1.707 -10.067 1.452 1.00 50.00 H new ATOM 0 HA CYS A 38 1.591 -7.714 3.336 1.00 50.00 H new ATOM 0 HB2 CYS A 38 1.973 -10.694 3.905 1.00 0.00 H new ATOM 0 HB3 CYS A 38 1.333 -9.472 4.986 1.00 0.00 H new ATOM 155 N HIS A 39 4.016 -7.570 3.724 1.00 50.00 N ATOM 156 CA HIS A 39 5.494 -7.486 3.919 1.00 50.00 C ATOM 157 C HIS A 39 5.823 -7.233 5.393 1.00 50.00 C ATOM 158 O HIS A 39 5.031 -6.669 6.120 1.00 50.00 O ATOM 159 CB HIS A 39 5.950 -6.313 3.050 1.00 0.00 C ATOM 160 CG HIS A 39 6.208 -6.805 1.653 1.00 0.00 C ATOM 161 ND1 HIS A 39 7.486 -7.073 1.191 1.00 0.00 N ATOM 162 CD2 HIS A 39 5.364 -7.088 0.608 1.00 0.00 C ATOM 163 CE1 HIS A 39 7.377 -7.499 -0.081 1.00 0.00 C ATOM 164 NE2 HIS A 39 6.103 -7.527 -0.486 1.00 0.00 N ATOM 0 H HIS A 39 3.493 -6.733 3.981 1.00 50.00 H new ATOM 0 HA HIS A 39 5.998 -8.412 3.640 1.00 50.00 H new ATOM 0 HB2 HIS A 39 5.187 -5.534 3.039 1.00 0.00 H new ATOM 0 HB3 HIS A 39 6.854 -5.868 3.465 1.00 0.00 H new ATOM 0 HD1 HIS A 39 8.352 -6.967 1.719 1.00 0.00 H new ATOM 0 HD2 HIS A 39 4.289 -6.985 0.632 1.00 0.00 H new ATOM 0 HE1 HIS A 39 8.216 -7.783 -0.699 1.00 0.00 H new ATOM 172 N PRO A 40 6.989 -7.671 5.783 1.00 50.00 N ATOM 173 CA PRO A 40 7.444 -7.506 7.188 1.00 50.00 C ATOM 174 C PRO A 40 7.769 -6.040 7.487 1.00 50.00 C ATOM 175 O PRO A 40 7.828 -5.211 6.600 1.00 50.00 O ATOM 176 CB PRO A 40 8.702 -8.367 7.259 1.00 0.00 C ATOM 177 CG PRO A 40 9.200 -8.439 5.851 1.00 0.00 C ATOM 178 CD PRO A 40 7.991 -8.354 4.955 1.00 0.00 C ATOM 0 HA PRO A 40 6.688 -7.798 7.917 1.00 50.00 H new ATOM 0 HB2 PRO A 40 9.447 -7.924 7.919 1.00 0.00 H new ATOM 0 HB3 PRO A 40 8.480 -9.360 7.650 1.00 0.00 H new ATOM 0 HG2 PRO A 40 9.892 -7.623 5.644 1.00 0.00 H new ATOM 0 HG3 PRO A 40 9.743 -9.369 5.680 1.00 0.00 H new ATOM 0 HD2 PRO A 40 8.206 -7.795 4.045 1.00 0.00 H new ATOM 0 HD3 PRO A 40 7.650 -9.343 4.648 1.00 0.00 H new ATOM 186 N VAL A 41 7.985 -5.718 8.733 1.00 50.00 N ATOM 187 CA VAL A 41 8.310 -4.308 9.098 1.00 50.00 C ATOM 188 C VAL A 41 7.172 -3.372 8.663 1.00 50.00 C ATOM 189 O VAL A 41 6.100 -3.389 9.234 1.00 50.00 O ATOM 190 CB VAL A 41 9.608 -4.000 8.350 1.00 0.00 C ATOM 191 CG1 VAL A 41 10.170 -2.662 8.832 1.00 0.00 C ATOM 192 CG2 VAL A 41 10.625 -5.108 8.624 1.00 0.00 C ATOM 0 H VAL A 41 7.951 -6.371 9.516 1.00 50.00 H new ATOM 0 HA VAL A 41 8.426 -4.166 10.172 1.00 50.00 H new ATOM 0 HB VAL A 41 9.408 -3.944 7.280 1.00 0.00 H new ATOM 0 HG11 VAL A 41 11.095 -2.443 8.299 1.00 0.00 H new ATOM 0 HG12 VAL A 41 9.444 -1.872 8.640 1.00 0.00 H new ATOM 0 HG13 VAL A 41 10.372 -2.716 9.902 1.00 0.00 H new ATOM 0 HG21 VAL A 41 11.551 -4.891 8.092 1.00 0.00 H new ATOM 0 HG22 VAL A 41 10.825 -5.162 9.694 1.00 0.00 H new ATOM 0 HG23 VAL A 41 10.225 -6.062 8.281 1.00 0.00 H new ATOM 202 N PHE A 42 7.386 -2.556 7.662 1.00 50.00 N ATOM 203 CA PHE A 42 6.306 -1.634 7.215 1.00 50.00 C ATOM 204 C PHE A 42 6.225 -1.624 5.688 1.00 50.00 C ATOM 205 O PHE A 42 7.195 -1.880 5.003 1.00 50.00 O ATOM 206 CB PHE A 42 6.720 -0.259 7.738 1.00 0.00 C ATOM 207 CG PHE A 42 7.909 0.239 6.950 1.00 0.00 C ATOM 208 CD1 PHE A 42 7.713 0.939 5.754 1.00 0.00 C ATOM 209 CD2 PHE A 42 9.205 -0.001 7.417 1.00 0.00 C ATOM 210 CE1 PHE A 42 8.816 1.399 5.024 1.00 0.00 C ATOM 211 CE2 PHE A 42 10.308 0.459 6.688 1.00 0.00 C ATOM 212 CZ PHE A 42 10.114 1.159 5.492 1.00 0.00 C ATOM 0 H PHE A 42 8.259 -2.491 7.139 1.00 50.00 H new ATOM 0 HA PHE A 42 5.325 -1.932 7.585 1.00 50.00 H new ATOM 0 HB2 PHE A 42 5.890 0.442 7.648 1.00 0.00 H new ATOM 0 HB3 PHE A 42 6.971 -0.321 8.797 1.00 0.00 H new ATOM 0 HD1 PHE A 42 6.712 1.124 5.394 1.00 0.00 H new ATOM 0 HD2 PHE A 42 9.355 -0.541 8.340 1.00 0.00 H new ATOM 0 HE1 PHE A 42 8.666 1.939 4.101 1.00 0.00 H new ATOM 0 HE2 PHE A 42 11.309 0.274 7.049 1.00 0.00 H new ATOM 0 HZ PHE A 42 10.965 1.514 4.930 1.00 0.00 H new ATOM 222 N CYS A 43 5.077 -1.327 5.146 1.00 50.00 N ATOM 223 CA CYS A 43 4.943 -1.300 3.665 1.00 50.00 C ATOM 224 C CYS A 43 5.715 -0.107 3.093 1.00 50.00 C ATOM 225 O CYS A 43 5.596 1.000 3.579 1.00 50.00 O ATOM 226 CB CYS A 43 3.443 -1.155 3.408 1.00 0.00 C ATOM 227 SG CYS A 43 2.577 -2.583 4.108 1.00 0.00 S ATOM 0 H CYS A 43 4.228 -1.102 5.664 1.00 50.00 H new ATOM 0 HA CYS A 43 5.348 -2.194 3.190 1.00 50.00 H new ATOM 0 HB2 CYS A 43 3.072 -0.234 3.858 1.00 0.00 H new ATOM 0 HB3 CYS A 43 3.250 -1.087 2.337 1.00 0.00 H new ATOM 232 N PRO A 44 6.489 -0.379 2.078 1.00 50.00 N ATOM 233 CA PRO A 44 7.304 0.679 1.429 1.00 50.00 C ATOM 234 C PRO A 44 6.414 1.684 0.695 1.00 50.00 C ATOM 235 O PRO A 44 5.225 1.769 0.930 1.00 50.00 O ATOM 236 CB PRO A 44 8.178 -0.095 0.446 1.00 0.00 C ATOM 237 CG PRO A 44 7.412 -1.346 0.170 1.00 0.00 C ATOM 238 CD PRO A 44 6.678 -1.685 1.439 1.00 0.00 C ATOM 0 HA PRO A 44 7.884 1.264 2.143 1.00 50.00 H new ATOM 0 HB2 PRO A 44 8.349 0.475 -0.467 1.00 0.00 H new ATOM 0 HB3 PRO A 44 9.157 -0.315 0.873 1.00 0.00 H new ATOM 0 HG2 PRO A 44 6.714 -1.200 -0.655 1.00 0.00 H new ATOM 0 HG3 PRO A 44 8.082 -2.156 -0.119 1.00 0.00 H new ATOM 0 HD2 PRO A 44 5.726 -2.174 1.235 1.00 0.00 H new ATOM 0 HD3 PRO A 44 7.255 -2.362 2.069 1.00 0.00 H new ATOM 246 N ARG A 45 6.990 2.447 -0.188 1.00 50.00 N ATOM 247 CA ARG A 45 6.194 3.460 -0.942 1.00 50.00 C ATOM 248 C ARG A 45 5.466 2.802 -2.116 1.00 50.00 C ATOM 249 O ARG A 45 4.438 3.272 -2.562 1.00 50.00 O ATOM 250 CB ARG A 45 7.220 4.478 -1.445 1.00 0.00 C ATOM 251 CG ARG A 45 8.135 3.815 -2.478 1.00 0.00 C ATOM 252 CD ARG A 45 9.205 4.814 -2.929 1.00 0.00 C ATOM 253 NE ARG A 45 8.463 5.847 -3.706 1.00 0.00 N ATOM 254 CZ ARG A 45 9.118 6.784 -4.337 1.00 0.00 C ATOM 255 NH1 ARG A 45 10.015 6.464 -5.229 1.00 0.00 N ATOM 256 NH2 ARG A 45 8.876 8.040 -4.075 1.00 0.00 N ATOM 0 H ARG A 45 7.982 2.415 -0.423 1.00 50.00 H new ATOM 0 HA ARG A 45 5.429 3.926 -0.321 1.00 50.00 H new ATOM 0 HB2 ARG A 45 6.711 5.333 -1.890 1.00 0.00 H new ATOM 0 HB3 ARG A 45 7.811 4.857 -0.611 1.00 0.00 H new ATOM 0 HG2 ARG A 45 8.606 2.931 -2.048 1.00 0.00 H new ATOM 0 HG3 ARG A 45 7.551 3.480 -3.335 1.00 0.00 H new ATOM 0 HD2 ARG A 45 9.718 5.255 -2.075 1.00 0.00 H new ATOM 0 HD3 ARG A 45 9.965 4.329 -3.542 1.00 0.00 H new ATOM 0 HE ARG A 45 7.444 5.822 -3.745 1.00 0.00 H new ATOM 0 HH11 ARG A 45 10.204 5.483 -5.433 1.00 0.00 H new ATOM 0 HH12 ARG A 45 10.527 7.195 -5.722 1.00 0.00 H new ATOM 0 HH21 ARG A 45 8.175 8.290 -3.377 1.00 0.00 H new ATOM 0 HH22 ARG A 45 9.388 8.772 -4.568 1.00 0.00 H new ATOM 270 N ARG A 46 5.987 1.719 -2.621 1.00 50.00 N ATOM 271 CA ARG A 46 5.319 1.036 -3.764 1.00 50.00 C ATOM 272 C ARG A 46 3.974 0.458 -3.318 1.00 50.00 C ATOM 273 O ARG A 46 3.092 0.218 -4.118 1.00 50.00 O ATOM 274 CB ARG A 46 6.279 -0.082 -4.175 1.00 0.00 C ATOM 275 CG ARG A 46 7.517 0.525 -4.838 1.00 0.00 C ATOM 276 CD ARG A 46 7.185 0.920 -6.278 1.00 0.00 C ATOM 277 NE ARG A 46 6.998 -0.371 -6.997 1.00 0.00 N ATOM 278 CZ ARG A 46 7.073 -0.409 -8.300 1.00 0.00 C ATOM 279 NH1 ARG A 46 8.141 -0.888 -8.877 1.00 0.00 N ATOM 280 NH2 ARG A 46 6.083 0.033 -9.025 1.00 0.00 N ATOM 0 H ARG A 46 6.846 1.277 -2.292 1.00 50.00 H new ATOM 0 HA ARG A 46 5.113 1.716 -4.591 1.00 50.00 H new ATOM 0 HB2 ARG A 46 6.570 -0.665 -3.301 1.00 0.00 H new ATOM 0 HB3 ARG A 46 5.783 -0.766 -4.864 1.00 0.00 H new ATOM 0 HG2 ARG A 46 7.851 1.399 -4.278 1.00 0.00 H new ATOM 0 HG3 ARG A 46 8.337 -0.193 -4.827 1.00 0.00 H new ATOM 0 HD2 ARG A 46 6.283 1.531 -6.322 1.00 0.00 H new ATOM 0 HD3 ARG A 46 7.989 1.506 -6.722 1.00 0.00 H new ATOM 0 HE ARG A 46 6.811 -1.225 -6.472 1.00 0.00 H new ATOM 0 HH11 ARG A 46 8.916 -1.232 -8.310 1.00 0.00 H new ATOM 0 HH12 ARG A 46 8.201 -0.918 -9.895 1.00 0.00 H new ATOM 0 HH21 ARG A 46 5.249 0.409 -8.574 1.00 0.00 H new ATOM 0 HH22 ARG A 46 6.143 0.003 -10.043 1.00 0.00 H new ATOM 294 N TYR A 47 3.811 0.231 -2.043 1.00 50.00 N ATOM 295 CA TYR A 47 2.525 -0.331 -1.540 1.00 50.00 C ATOM 296 C TYR A 47 1.973 0.526 -0.399 1.00 50.00 C ATOM 297 O TYR A 47 2.713 1.038 0.417 1.00 50.00 O ATOM 298 CB TYR A 47 2.878 -1.714 -1.012 1.00 0.00 C ATOM 299 CG TYR A 47 3.355 -2.596 -2.133 1.00 0.00 C ATOM 300 CD1 TYR A 47 4.666 -2.484 -2.606 1.00 0.00 C ATOM 301 CD2 TYR A 47 2.485 -3.536 -2.691 1.00 0.00 C ATOM 302 CE1 TYR A 47 5.108 -3.317 -3.639 1.00 0.00 C ATOM 303 CE2 TYR A 47 2.924 -4.366 -3.724 1.00 0.00 C ATOM 304 CZ TYR A 47 4.236 -4.258 -4.200 1.00 0.00 C ATOM 305 OH TYR A 47 4.670 -5.080 -5.220 1.00 0.00 O ATOM 0 H TYR A 47 4.514 0.411 -1.327 1.00 50.00 H new ATOM 0 HA TYR A 47 1.766 -0.360 -2.322 1.00 50.00 H new ATOM 0 HB2 TYR A 47 3.653 -1.633 -0.250 1.00 0.00 H new ATOM 0 HB3 TYR A 47 2.006 -2.161 -0.534 1.00 0.00 H new ATOM 0 HD1 TYR A 47 5.336 -1.755 -2.174 1.00 0.00 H new ATOM 0 HD2 TYR A 47 1.473 -3.620 -2.323 1.00 0.00 H new ATOM 0 HE1 TYR A 47 6.121 -3.234 -4.004 1.00 0.00 H new ATOM 0 HE2 TYR A 47 2.251 -5.092 -4.156 1.00 0.00 H new ATOM 0 HH TYR A 47 3.941 -5.675 -5.494 1.00 0.00 H new ATOM 315 N LYS A 48 0.680 0.669 -0.323 1.00 50.00 N ATOM 316 CA LYS A 48 0.087 1.473 0.784 1.00 50.00 C ATOM 317 C LYS A 48 -0.166 0.563 1.988 1.00 50.00 C ATOM 318 O LYS A 48 -0.362 -0.627 1.843 1.00 50.00 O ATOM 319 CB LYS A 48 -1.231 2.015 0.231 1.00 0.00 C ATOM 320 CG LYS A 48 -1.818 3.026 1.218 1.00 0.00 C ATOM 321 CD LYS A 48 -3.077 3.658 0.618 1.00 0.00 C ATOM 322 CE LYS A 48 -3.769 4.520 1.676 1.00 0.00 C ATOM 323 NZ LYS A 48 -4.910 5.160 0.962 1.00 0.00 N ATOM 0 H LYS A 48 0.009 0.266 -0.977 1.00 50.00 H new ATOM 0 HA LYS A 48 0.740 2.281 1.113 1.00 50.00 H new ATOM 0 HB2 LYS A 48 -1.065 2.489 -0.736 1.00 0.00 H new ATOM 0 HB3 LYS A 48 -1.934 1.198 0.069 1.00 0.00 H new ATOM 0 HG2 LYS A 48 -2.060 2.532 2.159 1.00 0.00 H new ATOM 0 HG3 LYS A 48 -1.083 3.799 1.443 1.00 0.00 H new ATOM 0 HD2 LYS A 48 -2.814 4.267 -0.247 1.00 0.00 H new ATOM 0 HD3 LYS A 48 -3.755 2.880 0.267 1.00 0.00 H new ATOM 0 HE2 LYS A 48 -4.116 3.915 2.513 1.00 0.00 H new ATOM 0 HE3 LYS A 48 -3.088 5.268 2.084 1.00 0.00 H new ATOM 0 HZ1 LYS A 48 -5.435 5.769 1.622 1.00 0.00 H new ATOM 0 HZ2 LYS A 48 -4.548 5.735 0.174 1.00 0.00 H new ATOM 0 HZ3 LYS A 48 -5.544 4.424 0.591 1.00 0.00 H new ATOM 337 N GLN A 49 -0.158 1.104 3.173 1.00 50.00 N ATOM 338 CA GLN A 49 -0.394 0.248 4.371 1.00 50.00 C ATOM 339 C GLN A 49 -1.877 0.252 4.751 1.00 50.00 C ATOM 340 O GLN A 49 -2.349 1.136 5.439 1.00 50.00 O ATOM 341 CB GLN A 49 0.442 0.871 5.487 1.00 0.00 C ATOM 342 CG GLN A 49 0.269 0.044 6.764 1.00 0.00 C ATOM 343 CD GLN A 49 1.285 0.498 7.814 1.00 0.00 C ATOM 344 OE1 GLN A 49 2.241 1.177 7.500 1.00 0.00 O ATOM 345 NE2 GLN A 49 1.116 0.144 9.059 1.00 0.00 N ATOM 0 H GLN A 49 0.000 2.093 3.365 1.00 50.00 H new ATOM 0 HA GLN A 49 -0.117 -0.790 4.186 1.00 50.00 H new ATOM 0 HB2 GLN A 49 1.493 0.901 5.198 1.00 0.00 H new ATOM 0 HB3 GLN A 49 0.130 1.901 5.661 1.00 0.00 H new ATOM 0 HG2 GLN A 49 -0.744 0.160 7.150 1.00 0.00 H new ATOM 0 HG3 GLN A 49 0.407 -1.015 6.545 1.00 0.00 H new ATOM 0 HE21 GLN A 49 0.313 -0.427 9.322 1.00 0.00 H new ATOM 0 HE22 GLN A 49 1.787 0.438 9.768 1.00 0.00 H new ATOM 354 N ILE A 50 -2.612 -0.734 4.316 1.00 50.00 N ATOM 355 CA ILE A 50 -4.061 -0.787 4.663 1.00 50.00 C ATOM 356 C ILE A 50 -4.229 -1.082 6.156 1.00 50.00 C ATOM 357 O ILE A 50 -5.183 -0.663 6.781 1.00 50.00 O ATOM 358 CB ILE A 50 -4.631 -1.930 3.823 1.00 0.00 C ATOM 359 CG1 ILE A 50 -4.599 -1.541 2.343 1.00 0.00 C ATOM 360 CG2 ILE A 50 -6.077 -2.201 4.251 1.00 0.00 C ATOM 361 CD1 ILE A 50 -4.933 -2.762 1.484 1.00 0.00 C ATOM 0 H ILE A 50 -2.274 -1.503 3.737 1.00 50.00 H new ATOM 0 HA ILE A 50 -4.571 0.155 4.462 1.00 50.00 H new ATOM 0 HB ILE A 50 -4.032 -2.828 3.973 1.00 0.00 H new ATOM 0 HG12 ILE A 50 -5.315 -0.742 2.151 1.00 0.00 H new ATOM 0 HG13 ILE A 50 -3.614 -1.156 2.079 1.00 0.00 H new ATOM 0 HG21 ILE A 50 -6.487 -3.016 3.654 1.00 0.00 H new ATOM 0 HG22 ILE A 50 -6.099 -2.477 5.305 1.00 0.00 H new ATOM 0 HG23 ILE A 50 -6.676 -1.303 4.099 1.00 0.00 H new ATOM 0 HD11 ILE A 50 -4.910 -2.483 0.431 1.00 0.00 H new ATOM 0 HD12 ILE A 50 -4.200 -3.548 1.668 1.00 0.00 H new ATOM 0 HD13 ILE A 50 -5.928 -3.127 1.741 1.00 0.00 H new ATOM 373 N GLY A 51 -3.303 -1.800 6.730 1.00 50.00 N ATOM 374 CA GLY A 51 -3.398 -2.125 8.180 1.00 50.00 C ATOM 375 C GLY A 51 -2.534 -3.351 8.480 1.00 50.00 C ATOM 376 O GLY A 51 -1.357 -3.242 8.758 1.00 50.00 O ATOM 0 H GLY A 51 -2.482 -2.176 6.255 1.00 50.00 H new ATOM 0 HA2 GLY A 51 -3.065 -1.276 8.777 1.00 50.00 H new ATOM 0 HA3 GLY A 51 -4.435 -2.321 8.454 1.00 50.00 H new ATOM 380 N THR A 52 -3.110 -4.520 8.420 1.00 50.00 N ATOM 381 CA THR A 52 -2.321 -5.755 8.695 1.00 50.00 C ATOM 382 C THR A 52 -2.949 -6.949 7.972 1.00 50.00 C ATOM 383 O THR A 52 -4.142 -6.992 7.743 1.00 50.00 O ATOM 384 CB THR A 52 -2.387 -5.941 10.212 1.00 0.00 C ATOM 385 OG1 THR A 52 -3.737 -6.138 10.606 1.00 0.00 O ATOM 386 CG2 THR A 52 -1.828 -4.696 10.901 1.00 0.00 C ATOM 0 H THR A 52 -4.092 -4.674 8.193 1.00 50.00 H new ATOM 0 HA THR A 52 -1.292 -5.678 8.344 1.00 50.00 H new ATOM 0 HB THR A 52 -1.796 -6.811 10.499 1.00 0.00 H new ATOM 0 HG1 THR A 52 -3.780 -6.259 11.578 1.00 0.00 H new ATOM 0 HG21 THR A 52 -1.874 -4.827 11.982 1.00 0.00 H new ATOM 0 HG22 THR A 52 -0.792 -4.547 10.598 1.00 0.00 H new ATOM 0 HG23 THR A 52 -2.419 -3.826 10.615 1.00 0.00 H new ATOM 394 N CYS A 53 -2.155 -7.916 7.603 1.00 50.00 N ATOM 395 CA CYS A 53 -2.707 -9.101 6.887 1.00 50.00 C ATOM 396 C CYS A 53 -3.240 -10.134 7.882 1.00 50.00 C ATOM 397 O CYS A 53 -4.133 -10.899 7.576 1.00 50.00 O ATOM 398 CB CYS A 53 -1.527 -9.669 6.101 1.00 0.00 C ATOM 399 SG CYS A 53 -1.497 -8.931 4.448 1.00 0.00 S ATOM 0 H CYS A 53 -1.148 -7.937 7.766 1.00 50.00 H new ATOM 0 HA CYS A 53 -3.543 -8.836 6.239 1.00 50.00 H new ATOM 0 HB2 CYS A 53 -0.593 -9.459 6.622 1.00 0.00 H new ATOM 0 HB3 CYS A 53 -1.613 -10.753 6.026 1.00 0.00 H new ATOM 404 N GLY A 54 -2.704 -10.165 9.070 1.00 50.00 N ATOM 405 CA GLY A 54 -3.188 -11.152 10.075 1.00 50.00 C ATOM 406 C GLY A 54 -2.390 -11.004 11.371 1.00 50.00 C ATOM 407 O GLY A 54 -2.946 -10.918 12.448 1.00 50.00 O ATOM 0 H GLY A 54 -1.954 -9.551 9.388 1.00 50.00 H new ATOM 0 HA2 GLY A 54 -4.249 -10.996 10.270 1.00 50.00 H new ATOM 0 HA3 GLY A 54 -3.081 -12.164 9.685 1.00 50.00 H new ATOM 411 N LEU A 55 -1.090 -10.977 11.279 1.00 50.00 N ATOM 412 CA LEU A 55 -0.260 -10.838 12.508 1.00 50.00 C ATOM 413 C LEU A 55 0.594 -9.570 12.435 1.00 50.00 C ATOM 414 O LEU A 55 0.795 -9.017 11.372 1.00 50.00 O ATOM 415 CB LEU A 55 0.629 -12.082 12.528 1.00 0.00 C ATOM 416 CG LEU A 55 -0.246 -13.331 12.650 1.00 0.00 C ATOM 417 CD1 LEU A 55 0.582 -14.571 12.310 1.00 0.00 C ATOM 418 CD2 LEU A 55 -0.773 -13.447 14.082 1.00 0.00 C ATOM 0 H LEU A 55 -0.566 -11.045 10.406 1.00 50.00 H new ATOM 0 HA LEU A 55 -0.869 -10.756 13.408 1.00 50.00 H new ATOM 0 HB2 LEU A 55 1.226 -12.130 11.617 1.00 0.00 H new ATOM 0 HB3 LEU A 55 1.327 -12.030 13.364 1.00 0.00 H new ATOM 0 HG LEU A 55 -1.085 -13.254 11.959 1.00 0.00 H new ATOM 0 HD11 LEU A 55 -0.042 -15.460 12.397 1.00 0.00 H new ATOM 0 HD12 LEU A 55 0.957 -14.490 11.290 1.00 0.00 H new ATOM 0 HD13 LEU A 55 1.422 -14.648 13.000 1.00 0.00 H new ATOM 0 HD21 LEU A 55 -1.397 -14.337 14.169 1.00 0.00 H new ATOM 0 HD22 LEU A 55 0.066 -13.523 14.774 1.00 0.00 H new ATOM 0 HD23 LEU A 55 -1.365 -12.564 14.325 1.00 0.00 H new ATOM 430 N PRO A 56 1.069 -9.154 13.577 1.00 50.00 N ATOM 431 CA PRO A 56 1.913 -7.936 13.653 1.00 50.00 C ATOM 432 C PRO A 56 3.294 -8.209 13.053 1.00 50.00 C ATOM 433 O PRO A 56 4.072 -7.304 12.825 1.00 50.00 O ATOM 434 CB PRO A 56 2.014 -7.664 15.151 1.00 0.00 C ATOM 435 CG PRO A 56 1.784 -8.993 15.800 1.00 0.00 C ATOM 436 CD PRO A 56 0.866 -9.772 14.893 1.00 0.00 C ATOM 0 HA PRO A 56 1.502 -7.092 13.099 1.00 50.00 H new ATOM 0 HB2 PRO A 56 2.991 -7.260 15.414 1.00 0.00 H new ATOM 0 HB3 PRO A 56 1.270 -6.934 15.471 1.00 0.00 H new ATOM 0 HG2 PRO A 56 2.727 -9.522 15.941 1.00 0.00 H new ATOM 0 HG3 PRO A 56 1.337 -8.869 16.786 1.00 0.00 H new ATOM 0 HD2 PRO A 56 1.120 -10.832 14.881 1.00 0.00 H new ATOM 0 HD3 PRO A 56 -0.173 -9.697 15.215 1.00 0.00 H new ATOM 444 N GLY A 57 3.604 -9.450 12.796 1.00 50.00 N ATOM 445 CA GLY A 57 4.934 -9.780 12.212 1.00 50.00 C ATOM 446 C GLY A 57 5.002 -9.261 10.774 1.00 50.00 C ATOM 447 O GLY A 57 6.055 -8.906 10.282 1.00 50.00 O ATOM 0 H GLY A 57 2.994 -10.250 12.965 1.00 50.00 H new ATOM 0 HA2 GLY A 57 5.727 -9.331 12.810 1.00 50.00 H new ATOM 0 HA3 GLY A 57 5.093 -10.858 12.229 1.00 50.00 H new ATOM 451 N THR A 58 3.887 -9.214 10.096 1.00 50.00 N ATOM 452 CA THR A 58 3.890 -8.717 8.691 1.00 50.00 C ATOM 453 C THR A 58 2.885 -7.574 8.530 1.00 50.00 C ATOM 454 O THR A 58 1.927 -7.467 9.269 1.00 50.00 O ATOM 455 CB THR A 58 3.472 -9.916 7.840 1.00 0.00 C ATOM 456 OG1 THR A 58 3.900 -11.115 8.469 1.00 0.00 O ATOM 457 CG2 THR A 58 4.107 -9.808 6.454 1.00 0.00 C ATOM 0 H THR A 58 2.975 -9.498 10.454 1.00 50.00 H new ATOM 0 HA THR A 58 4.865 -8.329 8.397 1.00 50.00 H new ATOM 0 HB THR A 58 2.387 -9.928 7.738 1.00 0.00 H new ATOM 0 HG1 THR A 58 3.631 -11.884 7.925 1.00 0.00 H new ATOM 0 HG21 THR A 58 3.808 -10.664 5.849 1.00 0.00 H new ATOM 0 HG22 THR A 58 3.774 -8.889 5.972 1.00 0.00 H new ATOM 0 HG23 THR A 58 5.193 -9.794 6.551 1.00 0.00 H new ATOM 465 N LYS A 59 3.096 -6.724 7.564 1.00 50.00 N ATOM 466 CA LYS A 59 2.153 -5.591 7.346 1.00 50.00 C ATOM 467 C LYS A 59 1.559 -5.673 5.937 1.00 50.00 C ATOM 468 O LYS A 59 2.271 -5.771 4.957 1.00 50.00 O ATOM 469 CB LYS A 59 3.003 -4.331 7.503 1.00 0.00 C ATOM 470 CG LYS A 59 2.097 -3.098 7.491 1.00 0.00 C ATOM 471 CD LYS A 59 1.380 -2.977 8.839 1.00 0.00 C ATOM 472 CE LYS A 59 2.384 -2.550 9.913 1.00 0.00 C ATOM 473 NZ LYS A 59 1.618 -2.564 11.194 1.00 0.00 N ATOM 0 H LYS A 59 3.882 -6.765 6.915 1.00 50.00 H new ATOM 0 HA LYS A 59 1.317 -5.602 8.046 1.00 50.00 H new ATOM 0 HB2 LYS A 59 3.565 -4.373 8.436 1.00 0.00 H new ATOM 0 HB3 LYS A 59 3.731 -4.268 6.694 1.00 0.00 H new ATOM 0 HG2 LYS A 59 2.687 -2.202 7.299 1.00 0.00 H new ATOM 0 HG3 LYS A 59 1.368 -3.178 6.685 1.00 0.00 H new ATOM 0 HD2 LYS A 59 0.573 -2.248 8.770 1.00 0.00 H new ATOM 0 HD3 LYS A 59 0.926 -3.931 9.109 1.00 0.00 H new ATOM 0 HE2 LYS A 59 3.232 -3.234 9.954 1.00 0.00 H new ATOM 0 HE3 LYS A 59 2.785 -1.558 9.705 1.00 0.00 H new ATOM 0 HZ1 LYS A 59 2.243 -2.281 11.975 1.00 0.00 H new ATOM 0 HZ2 LYS A 59 0.822 -1.898 11.130 1.00 0.00 H new ATOM 0 HZ3 LYS A 59 1.255 -3.522 11.371 1.00 0.00 H new ATOM 487 N CYS A 60 0.260 -5.642 5.829 1.00 50.00 N ATOM 488 CA CYS A 60 -0.379 -5.727 4.485 1.00 50.00 C ATOM 489 C CYS A 60 0.005 -4.519 3.627 1.00 50.00 C ATOM 490 O CYS A 60 -0.089 -3.385 4.054 1.00 50.00 O ATOM 491 CB CYS A 60 -1.882 -5.728 4.766 1.00 0.00 C ATOM 492 SG CYS A 60 -2.787 -5.634 3.201 1.00 0.00 S ATOM 0 H CYS A 60 -0.387 -5.561 6.613 1.00 50.00 H new ATOM 0 HA CYS A 60 -0.061 -6.613 3.935 1.00 50.00 H new ATOM 0 HB2 CYS A 60 -2.161 -6.632 5.306 1.00 0.00 H new ATOM 0 HB3 CYS A 60 -2.145 -4.883 5.402 1.00 0.00 H new ATOM 497 N CYS A 61 0.432 -4.756 2.417 1.00 50.00 N ATOM 498 CA CYS A 61 0.819 -3.624 1.523 1.00 50.00 C ATOM 499 C CYS A 61 0.099 -3.761 0.178 1.00 50.00 C ATOM 500 O CYS A 61 0.106 -4.810 -0.434 1.00 50.00 O ATOM 501 CB CYS A 61 2.335 -3.755 1.334 1.00 0.00 C ATOM 502 SG CYS A 61 3.123 -4.127 2.921 1.00 0.00 S ATOM 0 H CYS A 61 0.530 -5.685 2.007 1.00 50.00 H new ATOM 0 HA CYS A 61 0.549 -2.654 1.942 1.00 50.00 H new ATOM 0 HB2 CYS A 61 2.554 -4.545 0.615 1.00 0.00 H new ATOM 0 HB3 CYS A 61 2.741 -2.830 0.924 1.00 0.00 H new ATOM 507 N LYS A 62 -0.528 -2.714 -0.284 1.00 50.00 N ATOM 508 CA LYS A 62 -1.251 -2.800 -1.586 1.00 50.00 C ATOM 509 C LYS A 62 -0.885 -1.614 -2.482 1.00 50.00 C ATOM 510 O LYS A 62 -0.608 -0.528 -2.012 1.00 50.00 O ATOM 511 CB LYS A 62 -2.733 -2.757 -1.212 1.00 0.00 C ATOM 512 CG LYS A 62 -3.583 -2.872 -2.479 1.00 0.00 C ATOM 513 CD LYS A 62 -5.065 -2.885 -2.096 1.00 0.00 C ATOM 514 CE LYS A 62 -5.916 -3.082 -3.352 1.00 0.00 C ATOM 515 NZ LYS A 62 -7.317 -2.848 -2.901 1.00 0.00 N ATOM 0 H LYS A 62 -0.571 -1.807 0.180 1.00 50.00 H new ATOM 0 HA LYS A 62 -0.994 -3.701 -2.143 1.00 50.00 H new ATOM 0 HB2 LYS A 62 -2.970 -3.571 -0.527 1.00 0.00 H new ATOM 0 HB3 LYS A 62 -2.961 -1.827 -0.692 1.00 0.00 H new ATOM 0 HG2 LYS A 62 -3.376 -2.036 -3.147 1.00 0.00 H new ATOM 0 HG3 LYS A 62 -3.328 -3.783 -3.020 1.00 0.00 H new ATOM 0 HD2 LYS A 62 -5.260 -3.686 -1.383 1.00 0.00 H new ATOM 0 HD3 LYS A 62 -5.333 -1.949 -1.606 1.00 0.00 H new ATOM 0 HE2 LYS A 62 -5.631 -2.382 -4.137 1.00 0.00 H new ATOM 0 HE3 LYS A 62 -5.794 -4.085 -3.760 1.00 0.00 H new ATOM 0 HZ1 LYS A 62 -7.965 -2.964 -3.706 1.00 0.00 H new ATOM 0 HZ2 LYS A 62 -7.562 -3.533 -2.158 1.00 0.00 H new ATOM 0 HZ3 LYS A 62 -7.404 -1.883 -2.524 1.00 0.00 H new ATOM 529 N LYS A 63 -0.886 -1.814 -3.772 1.00 50.00 N ATOM 530 CA LYS A 63 -0.541 -0.699 -4.699 1.00 50.00 C ATOM 531 C LYS A 63 -1.686 0.316 -4.747 1.00 50.00 C ATOM 532 O LYS A 63 -2.835 -0.036 -4.569 1.00 50.00 O ATOM 533 CB LYS A 63 -0.357 -1.359 -6.066 1.00 0.00 C ATOM 534 CG LYS A 63 0.821 -2.335 -6.014 1.00 0.00 C ATOM 535 CD LYS A 63 0.884 -3.127 -7.323 1.00 0.00 C ATOM 536 CE LYS A 63 1.989 -4.181 -7.229 1.00 0.00 C ATOM 537 NZ LYS A 63 1.686 -5.150 -8.321 1.00 0.00 N ATOM 0 H LYS A 63 -1.111 -2.701 -4.224 1.00 50.00 H new ATOM 0 HA LYS A 63 0.353 -0.161 -4.383 1.00 50.00 H new ATOM 0 HB2 LYS A 63 -1.267 -1.887 -6.351 1.00 0.00 H new ATOM 0 HB3 LYS A 63 -0.178 -0.599 -6.826 1.00 0.00 H new ATOM 0 HG2 LYS A 63 1.752 -1.790 -5.861 1.00 0.00 H new ATOM 0 HG3 LYS A 63 0.707 -3.015 -5.170 1.00 0.00 H new ATOM 0 HD2 LYS A 63 -0.075 -3.607 -7.517 1.00 0.00 H new ATOM 0 HD3 LYS A 63 1.078 -2.454 -8.158 1.00 0.00 H new ATOM 0 HE2 LYS A 63 2.974 -3.734 -7.359 1.00 0.00 H new ATOM 0 HE3 LYS A 63 1.987 -4.670 -6.255 1.00 0.00 H new ATOM 0 HZ1 LYS A 63 2.401 -5.906 -8.323 1.00 0.00 H new ATOM 0 HZ2 LYS A 63 0.745 -5.564 -8.166 1.00 0.00 H new ATOM 0 HZ3 LYS A 63 1.701 -4.657 -9.237 1.00 0.00 H new