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 26:sc= 0.224 USER MOD Single : A 33 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 34 SER OG : rot 180:sc= 0.00641 USER MOD Single : A 39 HIS : no HE2:sc= -7.97! C(o=-8!,f=-10!) 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= -1.03 X(o=-1,f=-1.3!) 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+ -154:sc= -0.0567 (180deg=-0.543) 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 -8.169 -9.217 6.075 1.00 50.00 N ATOM 34 CA THR A 30 -7.813 -10.385 5.219 1.00 50.00 C ATOM 35 C THR A 30 -6.860 -9.960 4.098 1.00 50.00 C ATOM 36 O THR A 30 -5.928 -10.664 3.766 1.00 50.00 O ATOM 37 CB THR A 30 -9.144 -10.868 4.641 1.00 0.00 C ATOM 38 OG1 THR A 30 -10.026 -11.203 5.703 1.00 0.00 O ATOM 39 CG2 THR A 30 -8.906 -12.101 3.767 1.00 0.00 C ATOM 0 HA THR A 30 -7.302 -11.167 5.781 1.00 50.00 H new ATOM 0 HB THR A 30 -9.586 -10.076 4.036 1.00 0.00 H new ATOM 0 HG1 THR A 30 -9.782 -10.694 6.504 1.00 0.00 H new ATOM 0 HG21 THR A 30 -9.855 -12.444 3.356 1.00 0.00 H new ATOM 0 HG22 THR A 30 -8.229 -11.844 2.952 1.00 0.00 H new ATOM 0 HG23 THR A 30 -8.464 -12.894 4.370 1.00 0.00 H new ATOM 47 N CYS A 31 -7.084 -8.814 3.511 1.00 50.00 N ATOM 48 CA CYS A 31 -6.187 -8.348 2.411 1.00 50.00 C ATOM 49 C CYS A 31 -6.142 -9.386 1.286 1.00 50.00 C ATOM 50 O CYS A 31 -5.216 -9.424 0.500 1.00 50.00 O ATOM 51 CB CYS A 31 -4.807 -8.199 3.056 1.00 0.00 C ATOM 52 SG CYS A 31 -4.759 -6.680 4.039 1.00 0.00 S ATOM 0 H CYS A 31 -7.848 -8.180 3.745 1.00 50.00 H new ATOM 0 HA CYS A 31 -6.533 -7.414 1.968 1.00 50.00 H new ATOM 0 HB2 CYS A 31 -4.595 -9.061 3.689 1.00 0.00 H new ATOM 0 HB3 CYS A 31 -4.036 -8.171 2.286 1.00 0.00 H new ATOM 57 N LEU A 32 -7.136 -10.228 1.201 1.00 50.00 N ATOM 58 CA LEU A 32 -7.147 -11.261 0.124 1.00 50.00 C ATOM 59 C LEU A 32 -8.152 -10.877 -0.966 1.00 50.00 C ATOM 60 O LEU A 32 -8.074 -11.340 -2.087 1.00 50.00 O ATOM 61 CB LEU A 32 -7.577 -12.552 0.818 1.00 0.00 C ATOM 62 CG LEU A 32 -6.452 -13.033 1.738 1.00 0.00 C ATOM 63 CD1 LEU A 32 -6.911 -14.278 2.501 1.00 0.00 C ATOM 64 CD2 LEU A 32 -5.217 -13.372 0.901 1.00 0.00 C ATOM 0 H LEU A 32 -7.940 -10.246 1.829 1.00 50.00 H new ATOM 0 HA LEU A 32 -6.176 -11.363 -0.361 1.00 50.00 H new ATOM 0 HB2 LEU A 32 -8.486 -12.382 1.395 1.00 0.00 H new ATOM 0 HB3 LEU A 32 -7.808 -13.317 0.077 1.00 0.00 H new ATOM 0 HG LEU A 32 -6.203 -12.245 2.448 1.00 0.00 H new ATOM 0 HD11 LEU A 32 -6.109 -14.620 3.156 1.00 0.00 H new ATOM 0 HD12 LEU A 32 -7.789 -14.035 3.099 1.00 0.00 H new ATOM 0 HD13 LEU A 32 -7.162 -15.067 1.792 1.00 0.00 H new ATOM 0 HD21 LEU A 32 -4.416 -13.714 1.556 1.00 0.00 H new ATOM 0 HD22 LEU A 32 -5.465 -14.159 0.189 1.00 0.00 H new ATOM 0 HD23 LEU A 32 -4.889 -12.484 0.360 1.00 0.00 H new ATOM 76 N LYS A 33 -9.096 -10.038 -0.643 1.00 50.00 N ATOM 77 CA LYS A 33 -10.109 -9.625 -1.658 1.00 50.00 C ATOM 78 C LYS A 33 -9.478 -8.683 -2.686 1.00 50.00 C ATOM 79 O LYS A 33 -9.784 -8.734 -3.861 1.00 50.00 O ATOM 80 CB LYS A 33 -11.193 -8.898 -0.861 1.00 0.00 C ATOM 81 CG LYS A 33 -11.942 -9.903 0.016 1.00 0.00 C ATOM 82 CD LYS A 33 -12.954 -9.162 0.892 1.00 0.00 C ATOM 83 CE LYS A 33 -13.561 -10.137 1.902 1.00 0.00 C ATOM 84 NZ LYS A 33 -14.593 -9.345 2.628 1.00 0.00 N ATOM 0 H LYS A 33 -9.211 -9.619 0.280 1.00 50.00 H new ATOM 0 HA LYS A 33 -10.508 -10.475 -2.211 1.00 50.00 H new ATOM 0 HB2 LYS A 33 -10.745 -8.122 -0.241 1.00 0.00 H new ATOM 0 HB3 LYS A 33 -11.888 -8.403 -1.539 1.00 0.00 H new ATOM 0 HG2 LYS A 33 -12.453 -10.636 -0.608 1.00 0.00 H new ATOM 0 HG3 LYS A 33 -11.238 -10.452 0.641 1.00 0.00 H new ATOM 0 HD2 LYS A 33 -12.466 -8.338 1.413 1.00 0.00 H new ATOM 0 HD3 LYS A 33 -13.739 -8.727 0.273 1.00 0.00 H new ATOM 0 HE2 LYS A 33 -14.004 -10.999 1.402 1.00 0.00 H new ATOM 0 HE3 LYS A 33 -12.803 -10.520 2.586 1.00 0.00 H new ATOM 0 HZ1 LYS A 33 -15.055 -9.946 3.340 1.00 0.00 H new ATOM 0 HZ2 LYS A 33 -14.141 -8.535 3.099 1.00 0.00 H new ATOM 0 HZ3 LYS A 33 -15.304 -9.000 1.952 1.00 0.00 H new ATOM 98 N SER A 34 -8.602 -7.823 -2.252 1.00 50.00 N ATOM 99 CA SER A 34 -7.951 -6.875 -3.203 1.00 50.00 C ATOM 100 C SER A 34 -6.687 -7.503 -3.795 1.00 50.00 C ATOM 101 O SER A 34 -6.039 -6.930 -4.648 1.00 50.00 O ATOM 102 CB SER A 34 -7.594 -5.651 -2.360 1.00 0.00 C ATOM 103 OG SER A 34 -6.681 -6.029 -1.339 1.00 0.00 O ATOM 0 H SER A 34 -8.307 -7.733 -1.280 1.00 50.00 H new ATOM 0 HA SER A 34 -8.601 -6.620 -4.040 1.00 50.00 H new ATOM 0 HB2 SER A 34 -7.152 -4.879 -2.990 1.00 0.00 H new ATOM 0 HB3 SER A 34 -8.495 -5.225 -1.918 1.00 0.00 H new ATOM 0 HG SER A 34 -6.450 -5.244 -0.799 1.00 0.00 H new ATOM 109 N GLY A 35 -6.330 -8.675 -3.348 1.00 50.00 N ATOM 110 CA GLY A 35 -5.107 -9.334 -3.884 1.00 50.00 C ATOM 111 C GLY A 35 -3.872 -8.566 -3.408 1.00 50.00 C ATOM 112 O GLY A 35 -2.812 -8.651 -3.994 1.00 50.00 O ATOM 0 H GLY A 35 -6.832 -9.204 -2.635 1.00 50.00 H new ATOM 0 HA2 GLY A 35 -5.059 -10.369 -3.546 1.00 50.00 H new ATOM 0 HA3 GLY A 35 -5.139 -9.356 -4.973 1.00 50.00 H new ATOM 116 N ALA A 36 -4.004 -7.815 -2.349 1.00 50.00 N ATOM 117 CA ALA A 36 -2.839 -7.038 -1.833 1.00 50.00 C ATOM 118 C ALA A 36 -1.801 -7.983 -1.225 1.00 50.00 C ATOM 119 O ALA A 36 -2.117 -9.075 -0.795 1.00 50.00 O ATOM 120 CB ALA A 36 -3.421 -6.120 -0.757 1.00 0.00 C ATOM 0 H ALA A 36 -4.868 -7.705 -1.818 1.00 50.00 H new ATOM 0 HA ALA A 36 -2.336 -6.477 -2.620 1.00 50.00 H new ATOM 0 HB1 ALA A 36 -2.624 -5.513 -0.327 1.00 0.00 H new ATOM 0 HB2 ALA A 36 -4.173 -5.469 -1.202 1.00 0.00 H new ATOM 0 HB3 ALA A 36 -3.881 -6.723 0.026 1.00 0.00 H new ATOM 126 N ILE A 37 -0.563 -7.573 -1.185 1.00 50.00 N ATOM 127 CA ILE A 37 0.492 -8.451 -0.602 1.00 50.00 C ATOM 128 C ILE A 37 0.892 -7.948 0.786 1.00 50.00 C ATOM 129 O ILE A 37 0.817 -6.771 1.077 1.00 50.00 O ATOM 130 CB ILE A 37 1.672 -8.350 -1.569 1.00 0.00 C ATOM 131 CG1 ILE A 37 2.231 -6.926 -1.554 1.00 0.00 C ATOM 132 CG2 ILE A 37 1.205 -8.697 -2.984 1.00 0.00 C ATOM 133 CD1 ILE A 37 3.687 -6.947 -2.023 1.00 0.00 C ATOM 0 H ILE A 37 -0.236 -6.670 -1.530 1.00 50.00 H new ATOM 0 HA ILE A 37 0.151 -9.479 -0.481 1.00 50.00 H new ATOM 0 HB ILE A 37 2.450 -9.048 -1.260 1.00 0.00 H new ATOM 0 HG12 ILE A 37 1.637 -6.284 -2.204 1.00 0.00 H new ATOM 0 HG13 ILE A 37 2.167 -6.509 -0.549 1.00 0.00 H new ATOM 0 HG21 ILE A 37 2.047 -8.625 -3.673 1.00 0.00 H new ATOM 0 HG22 ILE A 37 0.811 -9.713 -2.998 1.00 0.00 H new ATOM 0 HG23 ILE A 37 0.424 -8.001 -3.291 1.00 0.00 H new ATOM 0 HD11 ILE A 37 4.087 -5.933 -2.013 1.00 0.00 H new ATOM 0 HD12 ILE A 37 4.275 -7.576 -1.355 1.00 0.00 H new ATOM 0 HD13 ILE A 37 3.737 -7.347 -3.036 1.00 0.00 H new ATOM 145 N CYS A 38 1.319 -8.832 1.644 1.00 50.00 N ATOM 146 CA CYS A 38 1.728 -8.404 3.012 1.00 50.00 C ATOM 147 C CYS A 38 3.253 -8.423 3.133 1.00 50.00 C ATOM 148 O CYS A 38 3.912 -9.317 2.639 1.00 50.00 O ATOM 149 CB CYS A 38 1.102 -9.431 3.956 1.00 0.00 C ATOM 150 SG CYS A 38 -0.699 -9.388 3.787 1.00 0.00 S ATOM 0 H CYS A 38 1.403 -9.831 1.458 1.00 50.00 H new ATOM 0 HA CYS A 38 1.401 -7.390 3.243 1.00 50.00 H new ATOM 0 HB2 CYS A 38 1.476 -10.428 3.725 1.00 0.00 H new ATOM 0 HB3 CYS A 38 1.386 -9.215 4.986 1.00 0.00 H new ATOM 155 N HIS A 39 3.817 -7.445 3.783 1.00 50.00 N ATOM 156 CA HIS A 39 5.303 -7.413 3.932 1.00 50.00 C ATOM 157 C HIS A 39 5.682 -7.102 5.382 1.00 50.00 C ATOM 158 O HIS A 39 4.900 -6.543 6.122 1.00 50.00 O ATOM 159 CB HIS A 39 5.779 -6.299 2.997 1.00 0.00 C ATOM 160 CG HIS A 39 5.984 -6.858 1.617 1.00 0.00 C ATOM 161 ND1 HIS A 39 7.221 -7.300 1.174 1.00 0.00 N ATOM 162 CD2 HIS A 39 5.119 -7.052 0.569 1.00 0.00 C ATOM 163 CE1 HIS A 39 7.067 -7.734 -0.091 1.00 0.00 C ATOM 164 NE2 HIS A 39 5.805 -7.604 -0.509 1.00 0.00 N ATOM 0 H HIS A 39 3.318 -6.668 4.217 1.00 50.00 H new ATOM 0 HA HIS A 39 5.762 -8.370 3.683 1.00 50.00 H new ATOM 0 HB2 HIS A 39 5.045 -5.494 2.970 1.00 0.00 H new ATOM 0 HB3 HIS A 39 6.709 -5.870 3.369 1.00 0.00 H new ATOM 0 HD1 HIS A 39 8.089 -7.297 1.709 1.00 0.00 H new ATOM 0 HD2 HIS A 39 4.066 -6.813 0.579 1.00 0.00 H new ATOM 0 HE1 HIS A 39 7.866 -8.138 -0.694 1.00 0.00 H new ATOM 172 N PRO A 40 6.881 -7.481 5.736 1.00 50.00 N ATOM 173 CA PRO A 40 7.381 -7.246 7.113 1.00 50.00 C ATOM 174 C PRO A 40 7.663 -5.757 7.332 1.00 50.00 C ATOM 175 O PRO A 40 7.680 -4.976 6.401 1.00 50.00 O ATOM 176 CB PRO A 40 8.670 -8.061 7.170 1.00 0.00 C ATOM 177 CG PRO A 40 9.117 -8.173 5.748 1.00 0.00 C ATOM 178 CD PRO A 40 7.874 -8.159 4.895 1.00 0.00 C ATOM 0 HA PRO A 40 6.667 -7.535 7.884 1.00 50.00 H new ATOM 0 HB2 PRO A 40 9.423 -7.567 7.783 1.00 0.00 H new ATOM 0 HB3 PRO A 40 8.497 -9.044 7.608 1.00 0.00 H new ATOM 0 HG2 PRO A 40 9.776 -7.346 5.484 1.00 0.00 H new ATOM 0 HG3 PRO A 40 9.682 -9.092 5.592 1.00 0.00 H new ATOM 0 HD2 PRO A 40 8.037 -7.625 3.959 1.00 0.00 H new ATOM 0 HD3 PRO A 40 7.556 -9.169 4.635 1.00 0.00 H new ATOM 186 N VAL A 41 7.886 -5.358 8.554 1.00 50.00 N ATOM 187 CA VAL A 41 8.166 -3.920 8.830 1.00 50.00 C ATOM 188 C VAL A 41 6.955 -3.065 8.419 1.00 50.00 C ATOM 189 O VAL A 41 5.927 -3.097 9.064 1.00 50.00 O ATOM 190 CB VAL A 41 9.404 -3.596 7.988 1.00 0.00 C ATOM 191 CG1 VAL A 41 9.976 -2.242 8.412 1.00 0.00 C ATOM 192 CG2 VAL A 41 10.458 -4.684 8.204 1.00 0.00 C ATOM 0 H VAL A 41 7.886 -5.965 9.373 1.00 50.00 H new ATOM 0 HA VAL A 41 8.342 -3.712 9.885 1.00 50.00 H new ATOM 0 HB VAL A 41 9.127 -3.555 6.935 1.00 0.00 H new ATOM 0 HG11 VAL A 41 10.857 -2.015 7.811 1.00 0.00 H new ATOM 0 HG12 VAL A 41 9.225 -1.467 8.262 1.00 0.00 H new ATOM 0 HG13 VAL A 41 10.255 -2.279 9.465 1.00 0.00 H new ATOM 0 HG21 VAL A 41 11.342 -4.458 7.607 1.00 0.00 H new ATOM 0 HG22 VAL A 41 10.732 -4.721 9.258 1.00 0.00 H new ATOM 0 HG23 VAL A 41 10.052 -5.649 7.901 1.00 0.00 H new ATOM 202 N PHE A 42 7.055 -2.307 7.356 1.00 50.00 N ATOM 203 CA PHE A 42 5.895 -1.474 6.932 1.00 50.00 C ATOM 204 C PHE A 42 5.817 -1.419 5.403 1.00 50.00 C ATOM 205 O PHE A 42 6.773 -1.710 4.713 1.00 50.00 O ATOM 206 CB PHE A 42 6.169 -0.083 7.509 1.00 0.00 C ATOM 207 CG PHE A 42 7.363 0.525 6.812 1.00 0.00 C ATOM 208 CD1 PHE A 42 7.183 1.286 5.651 1.00 0.00 C ATOM 209 CD2 PHE A 42 8.648 0.329 7.328 1.00 0.00 C ATOM 210 CE1 PHE A 42 8.290 1.850 5.005 1.00 0.00 C ATOM 211 CE2 PHE A 42 9.756 0.893 6.682 1.00 0.00 C ATOM 212 CZ PHE A 42 9.575 1.654 5.521 1.00 0.00 C ATOM 0 H PHE A 42 7.885 -2.231 6.768 1.00 50.00 H new ATOM 0 HA PHE A 42 4.946 -1.878 7.284 1.00 50.00 H new ATOM 0 HB2 PHE A 42 5.295 0.555 7.379 1.00 0.00 H new ATOM 0 HB3 PHE A 42 6.356 -0.153 8.581 1.00 0.00 H new ATOM 0 HD1 PHE A 42 6.190 1.438 5.254 1.00 0.00 H new ATOM 0 HD2 PHE A 42 8.786 -0.257 8.224 1.00 0.00 H new ATOM 0 HE1 PHE A 42 8.151 2.436 4.109 1.00 0.00 H new ATOM 0 HE2 PHE A 42 10.749 0.741 7.079 1.00 0.00 H new ATOM 0 HZ PHE A 42 10.429 2.090 5.023 1.00 0.00 H new ATOM 222 N CYS A 43 4.684 -1.051 4.869 1.00 50.00 N ATOM 223 CA CYS A 43 4.547 -0.981 3.386 1.00 50.00 C ATOM 224 C CYS A 43 5.422 0.141 2.823 1.00 50.00 C ATOM 225 O CYS A 43 5.409 1.248 3.322 1.00 50.00 O ATOM 226 CB CYS A 43 3.070 -0.678 3.139 1.00 0.00 C ATOM 227 SG CYS A 43 2.062 -2.038 3.777 1.00 0.00 S ATOM 0 H CYS A 43 3.848 -0.796 5.395 1.00 50.00 H new ATOM 0 HA CYS A 43 4.863 -1.904 2.901 1.00 50.00 H new ATOM 0 HB2 CYS A 43 2.792 0.256 3.628 1.00 0.00 H new ATOM 0 HB3 CYS A 43 2.888 -0.545 2.073 1.00 0.00 H new ATOM 232 N PRO A 44 6.156 -0.186 1.794 1.00 50.00 N ATOM 233 CA PRO A 44 7.051 0.804 1.148 1.00 50.00 C ATOM 234 C PRO A 44 6.231 1.843 0.385 1.00 50.00 C ATOM 235 O PRO A 44 5.044 1.996 0.598 1.00 50.00 O ATOM 236 CB PRO A 44 7.890 -0.040 0.194 1.00 0.00 C ATOM 237 CG PRO A 44 7.052 -1.243 -0.091 1.00 0.00 C ATOM 238 CD PRO A 44 6.219 -1.497 1.138 1.00 0.00 C ATOM 0 HA PRO A 44 7.660 1.362 1.859 1.00 50.00 H new ATOM 0 HB2 PRO A 44 8.120 0.507 -0.720 1.00 0.00 H new ATOM 0 HB3 PRO A 44 8.842 -0.319 0.646 1.00 0.00 H new ATOM 0 HG2 PRO A 44 6.416 -1.074 -0.960 1.00 0.00 H new ATOM 0 HG3 PRO A 44 7.679 -2.105 -0.318 1.00 0.00 H new ATOM 0 HD2 PRO A 44 5.225 -1.863 0.879 1.00 0.00 H new ATOM 0 HD3 PRO A 44 6.677 -2.246 1.784 1.00 0.00 H new ATOM 246 N ARG A 45 6.857 2.555 -0.503 1.00 50.00 N ATOM 247 CA ARG A 45 6.119 3.591 -1.285 1.00 50.00 C ATOM 248 C ARG A 45 5.310 2.928 -2.398 1.00 50.00 C ATOM 249 O ARG A 45 4.181 3.289 -2.663 1.00 50.00 O ATOM 250 CB ARG A 45 7.197 4.500 -1.885 1.00 0.00 C ATOM 251 CG ARG A 45 8.309 4.746 -0.861 1.00 0.00 C ATOM 252 CD ARG A 45 9.135 5.962 -1.288 1.00 0.00 C ATOM 253 NE ARG A 45 10.000 6.270 -0.114 1.00 0.00 N ATOM 254 CZ ARG A 45 11.050 7.033 -0.257 1.00 0.00 C ATOM 255 NH1 ARG A 45 11.075 7.942 -1.194 1.00 0.00 N ATOM 256 NH2 ARG A 45 12.076 6.887 0.537 1.00 0.00 N ATOM 0 H ARG A 45 7.849 2.468 -0.725 1.00 50.00 H new ATOM 0 HA ARG A 45 5.421 4.150 -0.662 1.00 50.00 H new ATOM 0 HB2 ARG A 45 7.613 4.041 -2.782 1.00 0.00 H new ATOM 0 HB3 ARG A 45 6.755 5.449 -2.189 1.00 0.00 H new ATOM 0 HG2 ARG A 45 7.878 4.914 0.126 1.00 0.00 H new ATOM 0 HG3 ARG A 45 8.949 3.867 -0.785 1.00 0.00 H new ATOM 0 HD2 ARG A 45 9.733 5.742 -2.172 1.00 0.00 H new ATOM 0 HD3 ARG A 45 8.494 6.807 -1.539 1.00 0.00 H new ATOM 0 HE ARG A 45 9.772 5.884 0.802 1.00 0.00 H new ATOM 0 HH11 ARG A 45 10.274 8.057 -1.815 1.00 0.00 H new ATOM 0 HH12 ARG A 45 11.896 8.538 -1.305 1.00 0.00 H new ATOM 0 HH21 ARG A 45 12.057 6.177 1.269 1.00 0.00 H new ATOM 0 HH22 ARG A 45 12.896 7.483 0.425 1.00 0.00 H new ATOM 270 N ARG A 46 5.885 1.960 -3.051 1.00 50.00 N ATOM 271 CA ARG A 46 5.164 1.267 -4.153 1.00 50.00 C ATOM 272 C ARG A 46 3.855 0.666 -3.633 1.00 50.00 C ATOM 273 O ARG A 46 2.900 0.508 -4.366 1.00 50.00 O ATOM 274 CB ARG A 46 6.115 0.164 -4.615 1.00 0.00 C ATOM 275 CG ARG A 46 7.313 0.793 -5.332 1.00 0.00 C ATOM 276 CD ARG A 46 6.874 1.301 -6.706 1.00 0.00 C ATOM 277 NE ARG A 46 6.435 0.081 -7.440 1.00 0.00 N ATOM 278 CZ ARG A 46 5.569 0.181 -8.411 1.00 0.00 C ATOM 279 NH1 ARG A 46 4.456 0.836 -8.227 1.00 0.00 N ATOM 280 NH2 ARG A 46 5.819 -0.374 -9.566 1.00 0.00 N ATOM 0 H ARG A 46 6.828 1.617 -2.868 1.00 50.00 H new ATOM 0 HA ARG A 46 4.901 1.944 -4.965 1.00 50.00 H new ATOM 0 HB2 ARG A 46 6.455 -0.420 -3.760 1.00 0.00 H new ATOM 0 HB3 ARG A 46 5.596 -0.522 -5.284 1.00 0.00 H new ATOM 0 HG2 ARG A 46 7.715 1.615 -4.740 1.00 0.00 H new ATOM 0 HG3 ARG A 46 8.111 0.059 -5.442 1.00 0.00 H new ATOM 0 HD2 ARG A 46 6.063 2.024 -6.620 1.00 0.00 H new ATOM 0 HD3 ARG A 46 7.693 1.801 -7.223 1.00 0.00 H new ATOM 0 HE ARG A 46 6.811 -0.832 -7.184 1.00 0.00 H new ATOM 0 HH11 ARG A 46 4.263 1.270 -7.324 1.00 0.00 H new ATOM 0 HH12 ARG A 46 3.779 0.914 -8.986 1.00 0.00 H new ATOM 0 HH21 ARG A 46 6.690 -0.885 -9.708 1.00 0.00 H new ATOM 0 HH22 ARG A 46 5.143 -0.297 -10.326 1.00 0.00 H new ATOM 294 N TYR A 47 3.807 0.329 -2.374 1.00 50.00 N ATOM 295 CA TYR A 47 2.558 -0.263 -1.812 1.00 50.00 C ATOM 296 C TYR A 47 2.001 0.621 -0.693 1.00 50.00 C ATOM 297 O TYR A 47 2.710 1.408 -0.096 1.00 50.00 O ATOM 298 CB TYR A 47 2.974 -1.619 -1.246 1.00 0.00 C ATOM 299 CG TYR A 47 3.436 -2.524 -2.362 1.00 0.00 C ATOM 300 CD1 TYR A 47 4.640 -2.261 -3.025 1.00 0.00 C ATOM 301 CD2 TYR A 47 2.662 -3.630 -2.730 1.00 0.00 C ATOM 302 CE1 TYR A 47 5.070 -3.105 -4.055 1.00 0.00 C ATOM 303 CE2 TYR A 47 3.091 -4.474 -3.761 1.00 0.00 C ATOM 304 CZ TYR A 47 4.296 -4.211 -4.424 1.00 0.00 C ATOM 305 OH TYR A 47 4.721 -5.044 -5.439 1.00 0.00 O ATOM 0 H TYR A 47 4.575 0.437 -1.711 1.00 50.00 H new ATOM 0 HA TYR A 47 1.779 -0.353 -2.569 1.00 50.00 H new ATOM 0 HB2 TYR A 47 3.774 -1.488 -0.518 1.00 0.00 H new ATOM 0 HB3 TYR A 47 2.136 -2.075 -0.720 1.00 0.00 H new ATOM 0 HD1 TYR A 47 5.237 -1.407 -2.742 1.00 0.00 H new ATOM 0 HD2 TYR A 47 1.733 -3.833 -2.218 1.00 0.00 H new ATOM 0 HE1 TYR A 47 6.000 -2.903 -4.566 1.00 0.00 H new ATOM 0 HE2 TYR A 47 2.493 -5.327 -4.045 1.00 0.00 H new ATOM 0 HH TYR A 47 4.068 -5.763 -5.567 1.00 0.00 H new ATOM 315 N LYS A 48 0.739 0.484 -0.399 1.00 50.00 N ATOM 316 CA LYS A 48 0.130 1.300 0.690 1.00 50.00 C ATOM 317 C LYS A 48 -0.362 0.379 1.809 1.00 50.00 C ATOM 318 O LYS A 48 -1.031 -0.606 1.565 1.00 50.00 O ATOM 319 CB LYS A 48 -1.035 2.037 0.029 1.00 0.00 C ATOM 320 CG LYS A 48 -0.476 3.101 -0.918 1.00 0.00 C ATOM 321 CD LYS A 48 -1.626 3.828 -1.616 1.00 0.00 C ATOM 322 CE LYS A 48 -1.055 4.817 -2.635 1.00 0.00 C ATOM 323 NZ LYS A 48 -2.247 5.436 -3.280 1.00 0.00 N ATOM 0 H LYS A 48 0.100 -0.159 -0.867 1.00 50.00 H new ATOM 0 HA LYS A 48 0.836 1.997 1.141 1.00 50.00 H new ATOM 0 HB2 LYS A 48 -1.662 1.335 -0.521 1.00 0.00 H new ATOM 0 HB3 LYS A 48 -1.666 2.501 0.787 1.00 0.00 H new ATOM 0 HG2 LYS A 48 0.132 3.814 -0.361 1.00 0.00 H new ATOM 0 HG3 LYS A 48 0.175 2.636 -1.658 1.00 0.00 H new ATOM 0 HD2 LYS A 48 -2.276 3.109 -2.115 1.00 0.00 H new ATOM 0 HD3 LYS A 48 -2.236 4.355 -0.883 1.00 0.00 H new ATOM 0 HE2 LYS A 48 -0.433 5.569 -2.150 1.00 0.00 H new ATOM 0 HE3 LYS A 48 -0.428 4.310 -3.368 1.00 0.00 H new ATOM 0 HZ1 LYS A 48 -1.937 6.127 -3.992 1.00 0.00 H new ATOM 0 HZ2 LYS A 48 -2.816 4.697 -3.740 1.00 0.00 H new ATOM 0 HZ3 LYS A 48 -2.822 5.917 -2.559 1.00 0.00 H new ATOM 337 N GLN A 49 -0.020 0.679 3.030 1.00 50.00 N ATOM 338 CA GLN A 49 -0.451 -0.191 4.163 1.00 50.00 C ATOM 339 C GLN A 49 -1.913 0.071 4.531 1.00 50.00 C ATOM 340 O GLN A 49 -2.237 1.052 5.169 1.00 50.00 O ATOM 341 CB GLN A 49 0.468 0.189 5.323 1.00 0.00 C ATOM 342 CG GLN A 49 0.252 -0.784 6.483 1.00 0.00 C ATOM 343 CD GLN A 49 1.016 -0.289 7.712 1.00 0.00 C ATOM 344 OE1 GLN A 49 1.164 0.900 7.913 1.00 0.00 O ATOM 345 NE2 GLN A 49 1.512 -1.159 8.549 1.00 0.00 N ATOM 0 H GLN A 49 0.540 1.490 3.294 1.00 50.00 H new ATOM 0 HA GLN A 49 -0.382 -1.249 3.909 1.00 50.00 H new ATOM 0 HB2 GLN A 49 1.509 0.162 5.000 1.00 0.00 H new ATOM 0 HB3 GLN A 49 0.261 1.209 5.646 1.00 0.00 H new ATOM 0 HG2 GLN A 49 -0.811 -0.865 6.711 1.00 0.00 H new ATOM 0 HG3 GLN A 49 0.595 -1.780 6.205 1.00 0.00 H new ATOM 0 HE21 GLN A 49 1.388 -2.157 8.380 1.00 0.00 H new ATOM 0 HE22 GLN A 49 2.024 -0.841 9.372 1.00 0.00 H new ATOM 354 N ILE A 50 -2.795 -0.812 4.149 1.00 50.00 N ATOM 355 CA ILE A 50 -4.230 -0.623 4.494 1.00 50.00 C ATOM 356 C ILE A 50 -4.416 -0.792 6.003 1.00 50.00 C ATOM 357 O ILE A 50 -5.274 -0.183 6.609 1.00 50.00 O ATOM 358 CB ILE A 50 -4.972 -1.727 3.742 1.00 0.00 C ATOM 359 CG1 ILE A 50 -4.953 -1.431 2.242 1.00 0.00 C ATOM 360 CG2 ILE A 50 -6.420 -1.789 4.231 1.00 0.00 C ATOM 361 CD1 ILE A 50 -5.442 -2.662 1.476 1.00 0.00 C ATOM 0 H ILE A 50 -2.583 -1.654 3.614 1.00 50.00 H new ATOM 0 HA ILE A 50 -4.598 0.367 4.223 1.00 50.00 H new ATOM 0 HB ILE A 50 -4.482 -2.683 3.927 1.00 0.00 H new ATOM 0 HG12 ILE A 50 -5.590 -0.574 2.021 1.00 0.00 H new ATOM 0 HG13 ILE A 50 -3.944 -1.168 1.924 1.00 0.00 H new ATOM 0 HG21 ILE A 50 -6.951 -2.576 3.696 1.00 0.00 H new ATOM 0 HG22 ILE A 50 -6.434 -2.003 5.300 1.00 0.00 H new ATOM 0 HG23 ILE A 50 -6.908 -0.832 4.046 1.00 0.00 H new ATOM 0 HD11 ILE A 50 -5.429 -2.454 0.406 1.00 0.00 H new ATOM 0 HD12 ILE A 50 -4.787 -3.507 1.689 1.00 0.00 H new ATOM 0 HD13 ILE A 50 -6.458 -2.904 1.787 1.00 0.00 H new ATOM 373 N GLY A 51 -3.609 -1.621 6.611 1.00 50.00 N ATOM 374 CA GLY A 51 -3.728 -1.835 8.079 1.00 50.00 C ATOM 375 C GLY A 51 -2.797 -2.970 8.511 1.00 50.00 C ATOM 376 O GLY A 51 -1.621 -2.767 8.736 1.00 50.00 O ATOM 0 H GLY A 51 -2.873 -2.158 6.152 1.00 50.00 H new ATOM 0 HA2 GLY A 51 -3.472 -0.919 8.612 1.00 50.00 H new ATOM 0 HA3 GLY A 51 -4.758 -2.078 8.339 1.00 50.00 H new ATOM 380 N THR A 52 -3.312 -4.163 8.630 1.00 50.00 N ATOM 381 CA THR A 52 -2.452 -5.306 9.050 1.00 50.00 C ATOM 382 C THR A 52 -2.920 -6.600 8.376 1.00 50.00 C ATOM 383 O THR A 52 -4.101 -6.875 8.288 1.00 50.00 O ATOM 384 CB THR A 52 -2.628 -5.398 10.566 1.00 0.00 C ATOM 385 OG1 THR A 52 -3.975 -5.732 10.865 1.00 0.00 O ATOM 386 CG2 THR A 52 -2.280 -4.053 11.205 1.00 0.00 C ATOM 0 H THR A 52 -4.290 -4.396 8.455 1.00 50.00 H new ATOM 0 HA THR A 52 -1.409 -5.162 8.768 1.00 50.00 H new ATOM 0 HB THR A 52 -1.966 -6.168 10.963 1.00 0.00 H new ATOM 0 HG1 THR A 52 -4.089 -5.793 11.836 1.00 0.00 H new ATOM 0 HG21 THR A 52 -2.406 -4.120 12.286 1.00 0.00 H new ATOM 0 HG22 THR A 52 -1.245 -3.798 10.975 1.00 0.00 H new ATOM 0 HG23 THR A 52 -2.940 -3.281 10.810 1.00 0.00 H new ATOM 394 N CYS A 53 -2.002 -7.396 7.900 1.00 50.00 N ATOM 395 CA CYS A 53 -2.392 -8.673 7.233 1.00 50.00 C ATOM 396 C CYS A 53 -3.114 -9.586 8.225 1.00 50.00 C ATOM 397 O CYS A 53 -4.095 -10.225 7.900 1.00 50.00 O ATOM 398 CB CYS A 53 -1.072 -9.301 6.790 1.00 0.00 C ATOM 399 SG CYS A 53 -1.373 -10.413 5.394 1.00 0.00 S ATOM 0 H CYS A 53 -0.999 -7.218 7.944 1.00 50.00 H new ATOM 0 HA CYS A 53 -3.071 -8.514 6.395 1.00 50.00 H new ATOM 0 HB2 CYS A 53 -0.365 -8.523 6.503 1.00 0.00 H new ATOM 0 HB3 CYS A 53 -0.623 -9.851 7.617 1.00 0.00 H new ATOM 404 N GLY A 54 -2.631 -9.648 9.430 1.00 50.00 N ATOM 405 CA GLY A 54 -3.276 -10.517 10.456 1.00 50.00 C ATOM 406 C GLY A 54 -2.264 -10.817 11.561 1.00 50.00 C ATOM 407 O GLY A 54 -2.622 -11.083 12.692 1.00 50.00 O ATOM 0 H GLY A 54 -1.813 -9.132 9.754 1.00 50.00 H new ATOM 0 HA2 GLY A 54 -4.152 -10.021 10.873 1.00 50.00 H new ATOM 0 HA3 GLY A 54 -3.622 -11.445 10.000 1.00 50.00 H new ATOM 411 N LEU A 55 -1.001 -10.769 11.242 1.00 50.00 N ATOM 412 CA LEU A 55 0.044 -11.045 12.268 1.00 50.00 C ATOM 413 C LEU A 55 0.960 -9.828 12.412 1.00 50.00 C ATOM 414 O LEU A 55 1.273 -9.169 11.441 1.00 50.00 O ATOM 415 CB LEU A 55 0.819 -12.247 11.725 1.00 0.00 C ATOM 416 CG LEU A 55 1.686 -12.841 12.836 1.00 0.00 C ATOM 417 CD1 LEU A 55 0.789 -13.534 13.864 1.00 0.00 C ATOM 418 CD2 LEU A 55 2.657 -13.861 12.238 1.00 0.00 C ATOM 0 H LEU A 55 -0.646 -10.550 10.311 1.00 50.00 H new ATOM 0 HA LEU A 55 -0.375 -11.247 13.253 1.00 50.00 H new ATOM 0 HB2 LEU A 55 0.126 -13.000 11.349 1.00 0.00 H new ATOM 0 HB3 LEU A 55 1.444 -11.941 10.886 1.00 0.00 H new ATOM 0 HG LEU A 55 2.251 -12.045 13.321 1.00 0.00 H new ATOM 0 HD11 LEU A 55 1.405 -13.958 14.657 1.00 0.00 H new ATOM 0 HD12 LEU A 55 0.097 -12.808 14.291 1.00 0.00 H new ATOM 0 HD13 LEU A 55 0.225 -14.330 13.377 1.00 0.00 H new ATOM 0 HD21 LEU A 55 3.274 -14.284 13.031 1.00 0.00 H new ATOM 0 HD22 LEU A 55 2.094 -14.658 11.752 1.00 0.00 H new ATOM 0 HD23 LEU A 55 3.295 -13.369 11.504 1.00 0.00 H new ATOM 430 N PRO A 56 1.360 -9.568 13.628 1.00 50.00 N ATOM 431 CA PRO A 56 2.250 -8.412 13.906 1.00 50.00 C ATOM 432 C PRO A 56 3.634 -8.645 13.298 1.00 50.00 C ATOM 433 O PRO A 56 4.468 -7.761 13.273 1.00 50.00 O ATOM 434 CB PRO A 56 2.313 -8.368 15.431 1.00 0.00 C ATOM 435 CG PRO A 56 1.997 -9.764 15.863 1.00 0.00 C ATOM 436 CD PRO A 56 1.033 -10.317 14.846 1.00 0.00 C ATOM 0 HA PRO A 56 1.890 -7.477 13.477 1.00 50.00 H new ATOM 0 HB2 PRO A 56 3.299 -8.059 15.778 1.00 0.00 H new ATOM 0 HB3 PRO A 56 1.595 -7.655 15.837 1.00 0.00 H new ATOM 0 HG2 PRO A 56 2.902 -10.370 15.910 1.00 0.00 H new ATOM 0 HG3 PRO A 56 1.556 -9.772 16.860 1.00 0.00 H new ATOM 0 HD2 PRO A 56 1.167 -11.390 14.707 1.00 0.00 H new ATOM 0 HD3 PRO A 56 -0.003 -10.162 15.148 1.00 0.00 H new ATOM 444 N GLY A 57 3.882 -9.824 12.800 1.00 50.00 N ATOM 445 CA GLY A 57 5.208 -10.106 12.185 1.00 50.00 C ATOM 446 C GLY A 57 5.268 -9.450 10.804 1.00 50.00 C ATOM 447 O GLY A 57 6.312 -9.025 10.352 1.00 50.00 O ATOM 0 H GLY A 57 3.224 -10.604 12.792 1.00 50.00 H new ATOM 0 HA2 GLY A 57 6.006 -9.721 12.819 1.00 50.00 H new ATOM 0 HA3 GLY A 57 5.361 -11.182 12.098 1.00 50.00 H new ATOM 451 N THR A 58 4.152 -9.363 10.130 1.00 50.00 N ATOM 452 CA THR A 58 4.145 -8.732 8.779 1.00 50.00 C ATOM 453 C THR A 58 3.016 -7.705 8.676 1.00 50.00 C ATOM 454 O THR A 58 2.084 -7.709 9.456 1.00 50.00 O ATOM 455 CB THR A 58 3.907 -9.885 7.800 1.00 0.00 C ATOM 456 OG1 THR A 58 4.679 -11.010 8.199 1.00 0.00 O ATOM 457 CG2 THR A 58 4.320 -9.453 6.392 1.00 0.00 C ATOM 0 H THR A 58 3.247 -9.701 10.456 1.00 50.00 H new ATOM 0 HA THR A 58 5.075 -8.204 8.570 1.00 50.00 H new ATOM 0 HB THR A 58 2.850 -10.151 7.800 1.00 0.00 H new ATOM 0 HG1 THR A 58 4.527 -11.749 7.574 1.00 0.00 H new ATOM 0 HG21 THR A 58 4.151 -10.274 5.695 1.00 0.00 H new ATOM 0 HG22 THR A 58 3.727 -8.590 6.088 1.00 0.00 H new ATOM 0 HG23 THR A 58 5.377 -9.186 6.389 1.00 0.00 H new ATOM 465 N LYS A 59 3.091 -6.826 7.714 1.00 50.00 N ATOM 466 CA LYS A 59 2.022 -5.800 7.552 1.00 50.00 C ATOM 467 C LYS A 59 1.384 -5.929 6.166 1.00 50.00 C ATOM 468 O LYS A 59 2.034 -6.287 5.205 1.00 50.00 O ATOM 469 CB LYS A 59 2.737 -4.455 7.698 1.00 0.00 C ATOM 470 CG LYS A 59 3.289 -4.319 9.119 1.00 0.00 C ATOM 471 CD LYS A 59 2.130 -4.285 10.120 1.00 0.00 C ATOM 472 CE LYS A 59 2.685 -4.230 11.546 1.00 0.00 C ATOM 473 NZ LYS A 59 3.198 -5.604 11.811 1.00 0.00 N ATOM 0 H LYS A 59 3.848 -6.774 7.032 1.00 50.00 H new ATOM 0 HA LYS A 59 1.221 -5.911 8.283 1.00 50.00 H new ATOM 0 HB2 LYS A 59 3.548 -4.382 6.973 1.00 0.00 H new ATOM 0 HB3 LYS A 59 2.046 -3.639 7.486 1.00 0.00 H new ATOM 0 HG2 LYS A 59 3.952 -5.154 9.344 1.00 0.00 H new ATOM 0 HG3 LYS A 59 3.883 -3.409 9.204 1.00 0.00 H new ATOM 0 HD2 LYS A 59 1.498 -3.417 9.931 1.00 0.00 H new ATOM 0 HD3 LYS A 59 1.503 -5.168 9.997 1.00 0.00 H new ATOM 0 HE2 LYS A 59 3.479 -3.488 11.633 1.00 0.00 H new ATOM 0 HE3 LYS A 59 1.910 -3.953 12.261 1.00 0.00 H new ATOM 0 HZ1 LYS A 59 3.183 -5.789 12.834 1.00 0.00 H new ATOM 0 HZ2 LYS A 59 2.597 -6.299 11.324 1.00 0.00 H new ATOM 0 HZ3 LYS A 59 4.174 -5.684 11.459 1.00 0.00 H new ATOM 487 N CYS A 60 0.114 -5.652 6.059 1.00 50.00 N ATOM 488 CA CYS A 60 -0.565 -5.773 4.738 1.00 50.00 C ATOM 489 C CYS A 60 -0.198 -4.597 3.830 1.00 50.00 C ATOM 490 O CYS A 60 -0.227 -3.453 4.236 1.00 50.00 O ATOM 491 CB CYS A 60 -2.060 -5.756 5.060 1.00 0.00 C ATOM 492 SG CYS A 60 -3.011 -5.808 3.520 1.00 0.00 S ATOM 0 H CYS A 60 -0.483 -5.347 6.828 1.00 50.00 H new ATOM 0 HA CYS A 60 -0.268 -6.678 4.208 1.00 50.00 H new ATOM 0 HB2 CYS A 60 -2.317 -6.609 5.688 1.00 0.00 H new ATOM 0 HB3 CYS A 60 -2.311 -4.858 5.625 1.00 0.00 H new ATOM 497 N CYS A 61 0.142 -4.873 2.601 1.00 50.00 N ATOM 498 CA CYS A 61 0.508 -3.778 1.658 1.00 50.00 C ATOM 499 C CYS A 61 -0.265 -3.943 0.347 1.00 50.00 C ATOM 500 O CYS A 61 -0.365 -5.029 -0.191 1.00 50.00 O ATOM 501 CB CYS A 61 2.010 -3.943 1.424 1.00 0.00 C ATOM 502 SG CYS A 61 2.897 -3.697 2.983 1.00 0.00 S ATOM 0 H CYS A 61 0.182 -5.813 2.208 1.00 50.00 H new ATOM 0 HA CYS A 61 0.267 -2.790 2.050 1.00 50.00 H new ATOM 0 HB2 CYS A 61 2.220 -4.936 1.027 1.00 0.00 H new ATOM 0 HB3 CYS A 61 2.354 -3.224 0.681 1.00 0.00 H new ATOM 507 N LYS A 62 -0.814 -2.881 -0.173 1.00 50.00 N ATOM 508 CA LYS A 62 -1.581 -2.988 -1.448 1.00 50.00 C ATOM 509 C LYS A 62 -1.051 -1.982 -2.472 1.00 50.00 C ATOM 510 O LYS A 62 -0.808 -0.833 -2.160 1.00 50.00 O ATOM 511 CB LYS A 62 -3.026 -2.663 -1.068 1.00 0.00 C ATOM 512 CG LYS A 62 -3.935 -2.845 -2.286 1.00 0.00 C ATOM 513 CD LYS A 62 -5.387 -2.573 -1.885 1.00 0.00 C ATOM 514 CE LYS A 62 -5.564 -1.085 -1.578 1.00 0.00 C ATOM 515 NZ LYS A 62 -7.033 -0.902 -1.401 1.00 0.00 N ATOM 0 H LYS A 62 -0.766 -1.944 0.228 1.00 50.00 H new ATOM 0 HA LYS A 62 -1.492 -3.975 -1.903 1.00 50.00 H new ATOM 0 HB2 LYS A 62 -3.354 -3.314 -0.257 1.00 0.00 H new ATOM 0 HB3 LYS A 62 -3.094 -1.639 -0.702 1.00 0.00 H new ATOM 0 HG2 LYS A 62 -3.633 -2.165 -3.083 1.00 0.00 H new ATOM 0 HG3 LYS A 62 -3.838 -3.858 -2.677 1.00 0.00 H new ATOM 0 HD2 LYS A 62 -6.059 -2.871 -2.690 1.00 0.00 H new ATOM 0 HD3 LYS A 62 -5.651 -3.169 -1.011 1.00 0.00 H new ATOM 0 HE2 LYS A 62 -5.019 -0.800 -0.678 1.00 0.00 H new ATOM 0 HE3 LYS A 62 -5.184 -0.466 -2.391 1.00 0.00 H new ATOM 0 HZ1 LYS A 62 -7.235 0.095 -1.187 1.00 0.00 H new ATOM 0 HZ2 LYS A 62 -7.525 -1.175 -2.276 1.00 0.00 H new ATOM 0 HZ3 LYS A 62 -7.365 -1.498 -0.616 1.00 0.00 H new ATOM 529 N LYS A 63 -0.867 -2.407 -3.692 1.00 50.00 N ATOM 530 CA LYS A 63 -0.351 -1.477 -4.737 1.00 50.00 C ATOM 531 C LYS A 63 -1.425 -0.450 -5.105 1.00 50.00 C ATOM 532 O LYS A 63 -2.605 -0.720 -5.000 1.00 50.00 O ATOM 533 CB LYS A 63 -0.025 -2.368 -5.935 1.00 0.00 C ATOM 534 CG LYS A 63 1.100 -3.336 -5.559 1.00 0.00 C ATOM 535 CD LYS A 63 1.482 -4.172 -6.782 1.00 0.00 C ATOM 536 CE LYS A 63 0.340 -5.132 -7.121 1.00 0.00 C ATOM 537 NZ LYS A 63 0.685 -5.679 -8.462 1.00 0.00 N ATOM 0 H LYS A 63 -1.052 -3.358 -4.011 1.00 50.00 H new ATOM 0 HA LYS A 63 0.521 -0.917 -4.399 1.00 50.00 H new ATOM 0 HB2 LYS A 63 -0.911 -2.924 -6.240 1.00 0.00 H new ATOM 0 HB3 LYS A 63 0.276 -1.756 -6.786 1.00 0.00 H new ATOM 0 HG2 LYS A 63 1.967 -2.781 -5.199 1.00 0.00 H new ATOM 0 HG3 LYS A 63 0.778 -3.987 -4.746 1.00 0.00 H new ATOM 0 HD2 LYS A 63 1.688 -3.520 -7.631 1.00 0.00 H new ATOM 0 HD3 LYS A 63 2.395 -4.733 -6.582 1.00 0.00 H new ATOM 0 HE2 LYS A 63 0.258 -5.927 -6.379 1.00 0.00 H new ATOM 0 HE3 LYS A 63 -0.619 -4.614 -7.140 1.00 0.00 H new ATOM 0 HZ1 LYS A 63 -0.052 -6.347 -8.765 1.00 0.00 H new ATOM 0 HZ2 LYS A 63 0.749 -4.900 -9.148 1.00 0.00 H new ATOM 0 HZ3 LYS A 63 1.599 -6.172 -8.411 1.00 0.00 H new