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 40:sc= 0.176 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= -8.02! C(o=-8!,f=-10!) USER MOD Single : A 47 TYR OH : rot 150:sc= -0.088 USER MOD Single : A 48 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 49 GLN : amide:sc= -0.0754 K(o=-0.075,f=-2.1!) USER MOD Single : A 52 THR OG1 : rot 25:sc= 0.654 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+ -158:sc= -0.0463 (180deg=-0.872) USER MOD Single : A 63 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD ----------------------------------------------------------------- ATOM 33 N THR A 30 -8.315 -9.385 6.954 1.00 50.00 N ATOM 34 CA THR A 30 -7.861 -10.396 5.955 1.00 50.00 C ATOM 35 C THR A 30 -7.628 -9.733 4.595 1.00 50.00 C ATOM 36 O THR A 30 -8.559 -9.409 3.886 1.00 50.00 O ATOM 37 CB THR A 30 -9.008 -11.402 5.868 1.00 0.00 C ATOM 38 OG1 THR A 30 -9.202 -12.009 7.138 1.00 0.00 O ATOM 39 CG2 THR A 30 -8.674 -12.476 4.832 1.00 0.00 C ATOM 0 HA THR A 30 -6.921 -10.867 6.242 1.00 50.00 H new ATOM 0 HB THR A 30 -9.920 -10.886 5.569 1.00 0.00 H new ATOM 0 HG1 THR A 30 -9.101 -11.335 7.842 1.00 0.00 H new ATOM 0 HG21 THR A 30 -9.494 -13.192 4.773 1.00 0.00 H new ATOM 0 HG22 THR A 30 -8.528 -12.009 3.858 1.00 0.00 H new ATOM 0 HG23 THR A 30 -7.761 -12.994 5.126 1.00 0.00 H new ATOM 47 N CYS A 31 -6.393 -9.534 4.222 1.00 50.00 N ATOM 48 CA CYS A 31 -6.108 -8.895 2.904 1.00 50.00 C ATOM 49 C CYS A 31 -6.182 -9.942 1.787 1.00 50.00 C ATOM 50 O CYS A 31 -6.100 -9.622 0.618 1.00 50.00 O ATOM 51 CB CYS A 31 -4.686 -8.343 3.027 1.00 0.00 C ATOM 52 SG CYS A 31 -4.691 -6.886 4.099 1.00 0.00 S ATOM 0 H CYS A 31 -5.571 -9.785 4.771 1.00 50.00 H new ATOM 0 HA CYS A 31 -6.827 -8.113 2.659 1.00 50.00 H new ATOM 0 HB2 CYS A 31 -4.023 -9.106 3.436 1.00 0.00 H new ATOM 0 HB3 CYS A 31 -4.300 -8.081 2.042 1.00 0.00 H new ATOM 57 N LEU A 32 -6.339 -11.189 2.140 1.00 50.00 N ATOM 58 CA LEU A 32 -6.420 -12.258 1.102 1.00 50.00 C ATOM 59 C LEU A 32 -7.575 -11.974 0.141 1.00 50.00 C ATOM 60 O LEU A 32 -7.432 -12.059 -1.063 1.00 50.00 O ATOM 61 CB LEU A 32 -6.673 -13.549 1.881 1.00 0.00 C ATOM 62 CG LEU A 32 -6.726 -14.731 0.910 1.00 0.00 C ATOM 63 CD1 LEU A 32 -5.371 -14.883 0.215 1.00 0.00 C ATOM 64 CD2 LEU A 32 -7.050 -16.012 1.683 1.00 0.00 C ATOM 0 H LEU A 32 -6.415 -11.515 3.104 1.00 50.00 H new ATOM 0 HA LEU A 32 -5.514 -12.318 0.499 1.00 50.00 H new ATOM 0 HB2 LEU A 32 -5.883 -13.704 2.615 1.00 0.00 H new ATOM 0 HB3 LEU A 32 -7.610 -13.476 2.432 1.00 0.00 H new ATOM 0 HG LEU A 32 -7.499 -14.552 0.162 1.00 0.00 H new ATOM 0 HD11 LEU A 32 -5.409 -15.725 -0.476 1.00 0.00 H new ATOM 0 HD12 LEU A 32 -5.140 -13.971 -0.336 1.00 0.00 H new ATOM 0 HD13 LEU A 32 -4.597 -15.061 0.962 1.00 0.00 H new ATOM 0 HD21 LEU A 32 -7.088 -16.854 0.992 1.00 0.00 H new ATOM 0 HD22 LEU A 32 -6.278 -16.191 2.431 1.00 0.00 H new ATOM 0 HD23 LEU A 32 -8.016 -15.904 2.177 1.00 0.00 H new ATOM 76 N LYS A 33 -8.718 -11.640 0.666 1.00 50.00 N ATOM 77 CA LYS A 33 -9.887 -11.348 -0.213 1.00 50.00 C ATOM 78 C LYS A 33 -9.613 -10.105 -1.061 1.00 50.00 C ATOM 79 O LYS A 33 -10.039 -10.005 -2.194 1.00 50.00 O ATOM 80 CB LYS A 33 -11.049 -11.095 0.747 1.00 0.00 C ATOM 81 CG LYS A 33 -11.495 -12.418 1.375 1.00 0.00 C ATOM 82 CD LYS A 33 -12.604 -12.150 2.395 1.00 0.00 C ATOM 83 CE LYS A 33 -13.096 -13.477 2.974 1.00 0.00 C ATOM 84 NZ LYS A 33 -14.228 -13.105 3.870 1.00 0.00 N ATOM 0 H LYS A 33 -8.896 -11.556 1.667 1.00 50.00 H new ATOM 0 HA LYS A 33 -10.098 -12.164 -0.904 1.00 50.00 H new ATOM 0 HB2 LYS A 33 -10.745 -10.396 1.526 1.00 0.00 H new ATOM 0 HB3 LYS A 33 -11.881 -10.636 0.213 1.00 0.00 H new ATOM 0 HG2 LYS A 33 -11.854 -13.097 0.602 1.00 0.00 H new ATOM 0 HG3 LYS A 33 -10.650 -12.906 1.861 1.00 0.00 H new ATOM 0 HD2 LYS A 33 -12.231 -11.509 3.194 1.00 0.00 H new ATOM 0 HD3 LYS A 33 -13.429 -11.620 1.920 1.00 0.00 H new ATOM 0 HE2 LYS A 33 -13.422 -14.156 2.186 1.00 0.00 H new ATOM 0 HE3 LYS A 33 -12.305 -13.985 3.526 1.00 0.00 H new ATOM 0 HZ1 LYS A 33 -14.621 -13.963 4.307 1.00 0.00 H new ATOM 0 HZ2 LYS A 33 -13.886 -12.463 4.614 1.00 0.00 H new ATOM 0 HZ3 LYS A 33 -14.968 -12.629 3.315 1.00 0.00 H new ATOM 98 N SER A 34 -8.905 -9.155 -0.518 1.00 50.00 N ATOM 99 CA SER A 34 -8.604 -7.914 -1.286 1.00 50.00 C ATOM 100 C SER A 34 -7.626 -8.218 -2.425 1.00 50.00 C ATOM 101 O SER A 34 -7.666 -7.602 -3.471 1.00 50.00 O ATOM 102 CB SER A 34 -7.971 -6.966 -0.268 1.00 0.00 C ATOM 103 OG SER A 34 -8.903 -6.696 0.770 1.00 0.00 O ATOM 0 H SER A 34 -8.521 -9.184 0.426 1.00 50.00 H new ATOM 0 HA SER A 34 -9.494 -7.484 -1.744 1.00 50.00 H new ATOM 0 HB2 SER A 34 -7.067 -7.412 0.147 1.00 0.00 H new ATOM 0 HB3 SER A 34 -7.674 -6.037 -0.755 1.00 0.00 H new ATOM 0 HG SER A 34 -8.497 -6.090 1.424 1.00 0.00 H new ATOM 109 N GLY A 35 -6.751 -9.164 -2.230 1.00 50.00 N ATOM 110 CA GLY A 35 -5.774 -9.511 -3.302 1.00 50.00 C ATOM 111 C GLY A 35 -4.470 -8.740 -3.081 1.00 50.00 C ATOM 112 O GLY A 35 -3.563 -8.795 -3.888 1.00 50.00 O ATOM 0 H GLY A 35 -6.669 -9.713 -1.374 1.00 50.00 H new ATOM 0 HA2 GLY A 35 -5.579 -10.583 -3.296 1.00 50.00 H new ATOM 0 HA3 GLY A 35 -6.190 -9.268 -4.280 1.00 50.00 H new ATOM 116 N ALA A 36 -4.367 -8.022 -1.997 1.00 50.00 N ATOM 117 CA ALA A 36 -3.117 -7.252 -1.731 1.00 50.00 C ATOM 118 C ALA A 36 -2.022 -8.182 -1.201 1.00 50.00 C ATOM 119 O ALA A 36 -2.258 -9.343 -0.927 1.00 50.00 O ATOM 120 CB ALA A 36 -3.506 -6.221 -0.672 1.00 0.00 C ATOM 0 H ALA A 36 -5.092 -7.934 -1.285 1.00 50.00 H new ATOM 0 HA ALA A 36 -2.722 -6.782 -2.632 1.00 50.00 H new ATOM 0 HB1 ALA A 36 -2.638 -5.612 -0.421 1.00 0.00 H new ATOM 0 HB2 ALA A 36 -4.298 -5.581 -1.061 1.00 0.00 H new ATOM 0 HB3 ALA A 36 -3.861 -6.734 0.222 1.00 0.00 H new ATOM 126 N ILE A 37 -0.827 -7.680 -1.053 1.00 50.00 N ATOM 127 CA ILE A 37 0.281 -8.534 -0.539 1.00 50.00 C ATOM 128 C ILE A 37 0.749 -8.017 0.824 1.00 50.00 C ATOM 129 O ILE A 37 0.636 -6.846 1.123 1.00 50.00 O ATOM 130 CB ILE A 37 1.397 -8.405 -1.574 1.00 0.00 C ATOM 131 CG1 ILE A 37 1.872 -6.951 -1.636 1.00 0.00 C ATOM 132 CG2 ILE A 37 0.870 -8.826 -2.946 1.00 0.00 C ATOM 133 CD1 ILE A 37 3.349 -6.917 -2.032 1.00 0.00 C ATOM 0 H ILE A 37 -0.570 -6.716 -1.266 1.00 50.00 H new ATOM 0 HA ILE A 37 -0.024 -9.571 -0.401 1.00 50.00 H new ATOM 0 HB ILE A 37 2.230 -9.048 -1.290 1.00 0.00 H new ATOM 0 HG12 ILE A 37 1.277 -6.393 -2.359 1.00 0.00 H new ATOM 0 HG13 ILE A 37 1.732 -6.469 -0.668 1.00 0.00 H new ATOM 0 HG21 ILE A 37 1.666 -8.734 -3.685 1.00 0.00 H new ATOM 0 HG22 ILE A 37 0.532 -9.861 -2.904 1.00 0.00 H new ATOM 0 HG23 ILE A 37 0.036 -8.183 -3.229 1.00 0.00 H new ATOM 0 HD11 ILE A 37 3.690 -5.883 -2.077 1.00 0.00 H new ATOM 0 HD12 ILE A 37 3.937 -7.461 -1.292 1.00 0.00 H new ATOM 0 HD13 ILE A 37 3.475 -7.383 -3.009 1.00 0.00 H new ATOM 145 N CYS A 38 1.270 -8.880 1.650 1.00 50.00 N ATOM 146 CA CYS A 38 1.740 -8.430 2.991 1.00 50.00 C ATOM 147 C CYS A 38 3.270 -8.415 3.036 1.00 50.00 C ATOM 148 O CYS A 38 3.926 -9.269 2.473 1.00 50.00 O ATOM 149 CB CYS A 38 1.179 -9.463 3.968 1.00 0.00 C ATOM 150 SG CYS A 38 -0.627 -9.496 3.834 1.00 0.00 S ATOM 0 H CYS A 38 1.391 -9.874 1.456 1.00 50.00 H new ATOM 0 HA CYS A 38 1.409 -7.420 3.232 1.00 50.00 H new ATOM 0 HB2 CYS A 38 1.589 -10.449 3.748 1.00 0.00 H new ATOM 0 HB3 CYS A 38 1.475 -9.215 4.987 1.00 0.00 H new ATOM 155 N HIS A 39 3.843 -7.452 3.704 1.00 50.00 N ATOM 156 CA HIS A 39 5.332 -7.387 3.784 1.00 50.00 C ATOM 157 C HIS A 39 5.771 -7.119 5.227 1.00 50.00 C ATOM 158 O HIS A 39 5.010 -6.606 6.024 1.00 50.00 O ATOM 159 CB HIS A 39 5.738 -6.230 2.867 1.00 0.00 C ATOM 160 CG HIS A 39 5.897 -6.738 1.460 1.00 0.00 C ATOM 161 ND1 HIS A 39 7.099 -7.244 0.989 1.00 0.00 N ATOM 162 CD2 HIS A 39 5.017 -6.824 0.410 1.00 0.00 C ATOM 163 CE1 HIS A 39 6.910 -7.608 -0.292 1.00 0.00 C ATOM 164 NE2 HIS A 39 5.659 -7.373 -0.696 1.00 0.00 N ATOM 0 H HIS A 39 3.348 -6.709 4.197 1.00 50.00 H new ATOM 0 HA HIS A 39 5.802 -8.322 3.479 1.00 50.00 H new ATOM 0 HB2 HIS A 39 4.983 -5.445 2.898 1.00 0.00 H new ATOM 0 HB3 HIS A 39 6.672 -5.788 3.213 1.00 0.00 H new ATOM 0 HD1 HIS A 39 7.968 -7.325 1.517 1.00 0.00 H new ATOM 0 HD2 HIS A 39 3.983 -6.513 0.438 1.00 0.00 H new ATOM 0 HE1 HIS A 39 7.677 -8.038 -0.918 1.00 0.00 H new ATOM 172 N PRO A 40 6.991 -7.489 5.513 1.00 50.00 N ATOM 173 CA PRO A 40 7.548 -7.303 6.877 1.00 50.00 C ATOM 174 C PRO A 40 7.832 -5.824 7.155 1.00 50.00 C ATOM 175 O PRO A 40 7.874 -5.009 6.256 1.00 50.00 O ATOM 176 CB PRO A 40 8.846 -8.105 6.846 1.00 0.00 C ATOM 177 CG PRO A 40 9.233 -8.154 5.402 1.00 0.00 C ATOM 178 CD PRO A 40 7.957 -8.113 4.601 1.00 0.00 C ATOM 0 HA PRO A 40 6.864 -7.629 7.661 1.00 50.00 H new ATOM 0 HB2 PRO A 40 9.620 -7.627 7.447 1.00 0.00 H new ATOM 0 HB3 PRO A 40 8.701 -9.107 7.251 1.00 0.00 H new ATOM 0 HG2 PRO A 40 9.876 -7.312 5.146 1.00 0.00 H new ATOM 0 HG3 PRO A 40 9.796 -9.062 5.184 1.00 0.00 H new ATOM 0 HD2 PRO A 40 8.077 -7.532 3.687 1.00 0.00 H new ATOM 0 HD3 PRO A 40 7.639 -9.112 4.304 1.00 0.00 H new ATOM 186 N VAL A 41 8.036 -5.479 8.397 1.00 50.00 N ATOM 187 CA VAL A 41 8.325 -4.060 8.744 1.00 50.00 C ATOM 188 C VAL A 41 7.147 -3.162 8.336 1.00 50.00 C ATOM 189 O VAL A 41 6.151 -3.093 9.028 1.00 50.00 O ATOM 190 CB VAL A 41 9.596 -3.722 7.960 1.00 0.00 C ATOM 191 CG1 VAL A 41 10.128 -2.362 8.407 1.00 0.00 C ATOM 192 CG2 VAL A 41 10.655 -4.791 8.232 1.00 0.00 C ATOM 0 H VAL A 41 8.015 -6.122 9.189 1.00 50.00 H new ATOM 0 HA VAL A 41 8.463 -3.904 9.814 1.00 50.00 H new ATOM 0 HB VAL A 41 9.367 -3.690 6.895 1.00 0.00 H new ATOM 0 HG11 VAL A 41 11.033 -2.123 7.848 1.00 0.00 H new ATOM 0 HG12 VAL A 41 9.374 -1.597 8.221 1.00 0.00 H new ATOM 0 HG13 VAL A 41 10.358 -2.393 9.472 1.00 0.00 H new ATOM 0 HG21 VAL A 41 11.562 -4.554 7.676 1.00 0.00 H new ATOM 0 HG22 VAL A 41 10.880 -4.817 9.298 1.00 0.00 H new ATOM 0 HG23 VAL A 41 10.279 -5.764 7.916 1.00 0.00 H new ATOM 202 N PHE A 42 7.241 -2.473 7.229 1.00 50.00 N ATOM 203 CA PHE A 42 6.111 -1.594 6.808 1.00 50.00 C ATOM 204 C PHE A 42 5.988 -1.574 5.281 1.00 50.00 C ATOM 205 O PHE A 42 6.932 -1.855 4.569 1.00 50.00 O ATOM 206 CB PHE A 42 6.469 -0.203 7.335 1.00 0.00 C ATOM 207 CG PHE A 42 7.624 0.357 6.540 1.00 0.00 C ATOM 208 CD1 PHE A 42 7.384 1.036 5.341 1.00 0.00 C ATOM 209 CD2 PHE A 42 8.935 0.197 7.002 1.00 0.00 C ATOM 210 CE1 PHE A 42 8.455 1.555 4.603 1.00 0.00 C ATOM 211 CE2 PHE A 42 10.006 0.715 6.266 1.00 0.00 C ATOM 212 CZ PHE A 42 9.766 1.394 5.065 1.00 0.00 C ATOM 0 H PHE A 42 8.046 -2.481 6.602 1.00 50.00 H new ATOM 0 HA PHE A 42 5.155 -1.944 7.197 1.00 50.00 H new ATOM 0 HB2 PHE A 42 5.607 0.459 7.259 1.00 0.00 H new ATOM 0 HB3 PHE A 42 6.734 -0.260 8.391 1.00 0.00 H new ATOM 0 HD1 PHE A 42 6.372 1.160 4.984 1.00 0.00 H new ATOM 0 HD2 PHE A 42 9.120 -0.327 7.928 1.00 0.00 H new ATOM 0 HE1 PHE A 42 8.269 2.079 3.677 1.00 0.00 H new ATOM 0 HE2 PHE A 42 11.017 0.591 6.624 1.00 0.00 H new ATOM 0 HZ PHE A 42 10.592 1.793 4.496 1.00 0.00 H new ATOM 222 N CYS A 43 4.831 -1.244 4.775 1.00 50.00 N ATOM 223 CA CYS A 43 4.646 -1.205 3.295 1.00 50.00 C ATOM 224 C CYS A 43 5.446 -0.044 2.695 1.00 50.00 C ATOM 225 O CYS A 43 5.372 1.071 3.171 1.00 50.00 O ATOM 226 CB CYS A 43 3.148 -0.986 3.089 1.00 0.00 C ATOM 227 SG CYS A 43 2.233 -2.403 3.746 1.00 0.00 S ATOM 0 H CYS A 43 4.005 -1.000 5.322 1.00 50.00 H new ATOM 0 HA CYS A 43 4.994 -2.117 2.810 1.00 50.00 H new ATOM 0 HB2 CYS A 43 2.831 -0.071 3.590 1.00 0.00 H new ATOM 0 HB3 CYS A 43 2.931 -0.860 2.028 1.00 0.00 H new ATOM 232 N PRO A 44 6.187 -0.348 1.665 1.00 50.00 N ATOM 233 CA PRO A 44 7.020 0.681 0.989 1.00 50.00 C ATOM 234 C PRO A 44 6.144 1.693 0.247 1.00 50.00 C ATOM 235 O PRO A 44 4.970 1.838 0.522 1.00 50.00 O ATOM 236 CB PRO A 44 7.866 -0.131 0.011 1.00 0.00 C ATOM 237 CG PRO A 44 7.072 -1.373 -0.238 1.00 0.00 C ATOM 238 CD PRO A 44 6.318 -1.665 1.031 1.00 0.00 C ATOM 0 HA PRO A 44 7.621 1.265 1.686 1.00 50.00 H new ATOM 0 HB2 PRO A 44 8.040 0.420 -0.913 1.00 0.00 H new ATOM 0 HB3 PRO A 44 8.844 -0.364 0.432 1.00 0.00 H new ATOM 0 HG2 PRO A 44 6.385 -1.233 -1.073 1.00 0.00 H new ATOM 0 HG3 PRO A 44 7.726 -2.205 -0.500 1.00 0.00 H new ATOM 0 HD2 PRO A 44 5.344 -2.110 0.826 1.00 0.00 H new ATOM 0 HD3 PRO A 44 6.860 -2.364 1.668 1.00 0.00 H new ATOM 246 N ARG A 45 6.715 2.391 -0.694 1.00 50.00 N ATOM 247 CA ARG A 45 5.928 3.399 -1.465 1.00 50.00 C ATOM 248 C ARG A 45 5.122 2.702 -2.560 1.00 50.00 C ATOM 249 O ARG A 45 3.978 3.027 -2.813 1.00 50.00 O ATOM 250 CB ARG A 45 6.956 4.342 -2.100 1.00 0.00 C ATOM 251 CG ARG A 45 8.098 4.636 -1.121 1.00 0.00 C ATOM 252 CD ARG A 45 9.014 5.704 -1.727 1.00 0.00 C ATOM 253 NE ARG A 45 9.691 6.339 -0.562 1.00 0.00 N ATOM 254 CZ ARG A 45 10.479 7.363 -0.744 1.00 0.00 C ATOM 255 NH1 ARG A 45 11.773 7.215 -0.649 1.00 0.00 N ATOM 256 NH2 ARG A 45 9.975 8.535 -1.020 1.00 0.00 N ATOM 0 H ARG A 45 7.695 2.308 -0.965 1.00 50.00 H new ATOM 0 HA ARG A 45 5.229 3.937 -0.824 1.00 50.00 H new ATOM 0 HB2 ARG A 45 7.356 3.893 -3.009 1.00 0.00 H new ATOM 0 HB3 ARG A 45 6.471 5.274 -2.391 1.00 0.00 H new ATOM 0 HG2 ARG A 45 7.697 4.981 -0.168 1.00 0.00 H new ATOM 0 HG3 ARG A 45 8.663 3.726 -0.918 1.00 0.00 H new ATOM 0 HD2 ARG A 45 9.738 5.261 -2.411 1.00 0.00 H new ATOM 0 HD3 ARG A 45 8.443 6.436 -2.298 1.00 0.00 H new ATOM 0 HE ARG A 45 9.539 5.973 0.378 1.00 0.00 H new ATOM 0 HH11 ARG A 45 12.167 6.299 -0.433 1.00 0.00 H new ATOM 0 HH12 ARG A 45 12.390 8.015 -0.791 1.00 0.00 H new ATOM 0 HH21 ARG A 45 8.964 8.651 -1.094 1.00 0.00 H new ATOM 0 HH22 ARG A 45 10.592 9.335 -1.162 1.00 0.00 H new ATOM 270 N ARG A 46 5.718 1.748 -3.215 1.00 50.00 N ATOM 271 CA ARG A 46 5.002 1.023 -4.301 1.00 50.00 C ATOM 272 C ARG A 46 3.698 0.432 -3.763 1.00 50.00 C ATOM 273 O ARG A 46 2.753 0.211 -4.494 1.00 50.00 O ATOM 274 CB ARG A 46 5.962 -0.082 -4.738 1.00 0.00 C ATOM 275 CG ARG A 46 7.150 0.540 -5.474 1.00 0.00 C ATOM 276 CD ARG A 46 6.694 1.042 -6.846 1.00 0.00 C ATOM 277 NE ARG A 46 7.910 1.652 -7.454 1.00 0.00 N ATOM 278 CZ ARG A 46 8.268 2.864 -7.125 1.00 0.00 C ATOM 279 NH1 ARG A 46 7.399 3.836 -7.174 1.00 0.00 N ATOM 280 NH2 ARG A 46 9.494 3.101 -6.745 1.00 0.00 N ATOM 0 H ARG A 46 6.674 1.437 -3.045 1.00 50.00 H new ATOM 0 HA ARG A 46 4.734 1.675 -5.133 1.00 50.00 H new ATOM 0 HB2 ARG A 46 6.310 -0.641 -3.870 1.00 0.00 H new ATOM 0 HB3 ARG A 46 5.448 -0.790 -5.388 1.00 0.00 H new ATOM 0 HG2 ARG A 46 7.561 1.364 -4.891 1.00 0.00 H new ATOM 0 HG3 ARG A 46 7.945 -0.196 -5.590 1.00 0.00 H new ATOM 0 HD2 ARG A 46 6.313 0.225 -7.459 1.00 0.00 H new ATOM 0 HD3 ARG A 46 5.890 1.772 -6.753 1.00 0.00 H new ATOM 0 HE ARG A 46 8.463 1.122 -8.128 1.00 0.00 H new ATOM 0 HH11 ARG A 46 6.441 3.649 -7.469 1.00 0.00 H new ATOM 0 HH12 ARG A 46 7.678 4.783 -6.917 1.00 0.00 H new ATOM 0 HH21 ARG A 46 10.172 2.340 -6.705 1.00 0.00 H new ATOM 0 HH22 ARG A 46 9.774 4.047 -6.488 1.00 0.00 H new ATOM 294 N TYR A 47 3.640 0.177 -2.485 1.00 50.00 N ATOM 295 CA TYR A 47 2.396 -0.394 -1.895 1.00 50.00 C ATOM 296 C TYR A 47 1.912 0.472 -0.730 1.00 50.00 C ATOM 297 O TYR A 47 2.659 1.245 -0.164 1.00 50.00 O ATOM 298 CB TYR A 47 2.793 -1.774 -1.372 1.00 0.00 C ATOM 299 CG TYR A 47 3.274 -2.642 -2.506 1.00 0.00 C ATOM 300 CD1 TYR A 47 4.495 -2.367 -3.129 1.00 0.00 C ATOM 301 CD2 TYR A 47 2.502 -3.730 -2.927 1.00 0.00 C ATOM 302 CE1 TYR A 47 4.946 -3.181 -4.173 1.00 0.00 C ATOM 303 CE2 TYR A 47 2.950 -4.544 -3.971 1.00 0.00 C ATOM 304 CZ TYR A 47 4.173 -4.270 -4.596 1.00 0.00 C ATOM 305 OH TYR A 47 4.618 -5.073 -5.626 1.00 0.00 O ATOM 0 H TYR A 47 4.400 0.339 -1.824 1.00 50.00 H new ATOM 0 HA TYR A 47 1.590 -0.442 -2.628 1.00 50.00 H new ATOM 0 HB2 TYR A 47 3.578 -1.675 -0.622 1.00 0.00 H new ATOM 0 HB3 TYR A 47 1.941 -2.244 -0.881 1.00 0.00 H new ATOM 0 HD1 TYR A 47 5.090 -1.526 -2.804 1.00 0.00 H new ATOM 0 HD2 TYR A 47 1.559 -3.941 -2.445 1.00 0.00 H new ATOM 0 HE1 TYR A 47 5.890 -2.970 -4.653 1.00 0.00 H new ATOM 0 HE2 TYR A 47 2.353 -5.384 -4.296 1.00 0.00 H new ATOM 0 HH TYR A 47 4.282 -5.985 -5.499 1.00 0.00 H new ATOM 315 N LYS A 48 0.672 0.327 -0.355 1.00 50.00 N ATOM 316 CA LYS A 48 0.139 1.117 0.789 1.00 50.00 C ATOM 317 C LYS A 48 -0.257 0.160 1.914 1.00 50.00 C ATOM 318 O LYS A 48 -0.685 -0.952 1.672 1.00 50.00 O ATOM 319 CB LYS A 48 -1.082 1.855 0.241 1.00 0.00 C ATOM 320 CG LYS A 48 -0.624 2.901 -0.778 1.00 0.00 C ATOM 321 CD LYS A 48 -1.842 3.627 -1.347 1.00 0.00 C ATOM 322 CE LYS A 48 -1.408 4.507 -2.521 1.00 0.00 C ATOM 323 NZ LYS A 48 -2.595 5.354 -2.824 1.00 0.00 N ATOM 0 H LYS A 48 0.003 -0.306 -0.793 1.00 50.00 H new ATOM 0 HA LYS A 48 0.868 1.818 1.196 1.00 50.00 H new ATOM 0 HB2 LYS A 48 -1.768 1.149 -0.228 1.00 0.00 H new ATOM 0 HB3 LYS A 48 -1.626 2.336 1.054 1.00 0.00 H new ATOM 0 HG2 LYS A 48 0.049 3.615 -0.304 1.00 0.00 H new ATOM 0 HG3 LYS A 48 -0.065 2.421 -1.582 1.00 0.00 H new ATOM 0 HD2 LYS A 48 -2.588 2.904 -1.677 1.00 0.00 H new ATOM 0 HD3 LYS A 48 -2.309 4.237 -0.574 1.00 0.00 H new ATOM 0 HE2 LYS A 48 -0.544 5.117 -2.259 1.00 0.00 H new ATOM 0 HE3 LYS A 48 -1.123 3.904 -3.383 1.00 0.00 H new ATOM 0 HZ1 LYS A 48 -2.376 5.987 -3.620 1.00 0.00 H new ATOM 0 HZ2 LYS A 48 -3.400 4.746 -3.076 1.00 0.00 H new ATOM 0 HZ3 LYS A 48 -2.839 5.922 -1.988 1.00 0.00 H new ATOM 337 N GLN A 49 -0.100 0.565 3.142 1.00 50.00 N ATOM 338 CA GLN A 49 -0.451 -0.345 4.270 1.00 50.00 C ATOM 339 C GLN A 49 -1.910 -0.165 4.693 1.00 50.00 C ATOM 340 O GLN A 49 -2.260 0.782 5.367 1.00 50.00 O ATOM 341 CB GLN A 49 0.488 0.057 5.405 1.00 0.00 C ATOM 342 CG GLN A 49 0.176 -0.783 6.643 1.00 0.00 C ATOM 343 CD GLN A 49 1.316 -0.650 7.653 1.00 0.00 C ATOM 344 OE1 GLN A 49 2.444 -0.390 7.283 1.00 0.00 O ATOM 345 NE2 GLN A 49 1.069 -0.816 8.923 1.00 0.00 N ATOM 0 H GLN A 49 0.254 1.482 3.414 1.00 50.00 H new ATOM 0 HA GLN A 49 -0.342 -1.393 3.991 1.00 50.00 H new ATOM 0 HB2 GLN A 49 1.525 -0.091 5.104 1.00 0.00 H new ATOM 0 HB3 GLN A 49 0.370 1.117 5.632 1.00 0.00 H new ATOM 0 HG2 GLN A 49 -0.761 -0.454 7.092 1.00 0.00 H new ATOM 0 HG3 GLN A 49 0.045 -1.828 6.362 1.00 0.00 H new ATOM 0 HE21 GLN A 49 0.122 -1.034 9.234 1.00 0.00 H new ATOM 0 HE22 GLN A 49 1.822 -0.728 9.605 1.00 0.00 H new ATOM 354 N ILE A 50 -2.760 -1.083 4.321 1.00 50.00 N ATOM 355 CA ILE A 50 -4.189 -0.976 4.724 1.00 50.00 C ATOM 356 C ILE A 50 -4.291 -1.094 6.245 1.00 50.00 C ATOM 357 O ILE A 50 -5.145 -0.500 6.873 1.00 50.00 O ATOM 358 CB ILE A 50 -4.884 -2.160 4.052 1.00 0.00 C ATOM 359 CG1 ILE A 50 -4.809 -2.008 2.533 1.00 0.00 C ATOM 360 CG2 ILE A 50 -6.351 -2.206 4.490 1.00 0.00 C ATOM 361 CD1 ILE A 50 -5.141 -3.348 1.873 1.00 0.00 C ATOM 0 H ILE A 50 -2.527 -1.900 3.757 1.00 50.00 H new ATOM 0 HA ILE A 50 -4.639 -0.027 4.432 1.00 50.00 H new ATOM 0 HB ILE A 50 -4.387 -3.084 4.346 1.00 0.00 H new ATOM 0 HG12 ILE A 50 -5.508 -1.242 2.198 1.00 0.00 H new ATOM 0 HG13 ILE A 50 -3.812 -1.681 2.238 1.00 0.00 H new ATOM 0 HG21 ILE A 50 -6.847 -3.050 4.011 1.00 0.00 H new ATOM 0 HG22 ILE A 50 -6.404 -2.320 5.573 1.00 0.00 H new ATOM 0 HG23 ILE A 50 -6.847 -1.280 4.198 1.00 0.00 H new ATOM 0 HD11 ILE A 50 -5.088 -3.243 0.789 1.00 0.00 H new ATOM 0 HD12 ILE A 50 -4.425 -4.102 2.200 1.00 0.00 H new ATOM 0 HD13 ILE A 50 -6.147 -3.655 2.159 1.00 0.00 H new ATOM 373 N GLY A 51 -3.417 -1.862 6.840 1.00 50.00 N ATOM 374 CA GLY A 51 -3.448 -2.028 8.318 1.00 50.00 C ATOM 375 C GLY A 51 -2.521 -3.178 8.722 1.00 50.00 C ATOM 376 O GLY A 51 -1.330 -3.002 8.876 1.00 50.00 O ATOM 0 H GLY A 51 -2.681 -2.382 6.362 1.00 50.00 H new ATOM 0 HA2 GLY A 51 -3.133 -1.105 8.805 1.00 50.00 H new ATOM 0 HA3 GLY A 51 -4.466 -2.233 8.650 1.00 50.00 H new ATOM 380 N THR A 52 -3.060 -4.354 8.897 1.00 50.00 N ATOM 381 CA THR A 52 -2.207 -5.513 9.292 1.00 50.00 C ATOM 382 C THR A 52 -2.697 -6.791 8.606 1.00 50.00 C ATOM 383 O THR A 52 -3.859 -7.139 8.678 1.00 50.00 O ATOM 384 CB THR A 52 -2.363 -5.625 10.810 1.00 0.00 C ATOM 385 OG1 THR A 52 -3.724 -5.889 11.129 1.00 0.00 O ATOM 386 CG2 THR A 52 -1.928 -4.314 11.466 1.00 0.00 C ATOM 0 H THR A 52 -4.052 -4.563 8.784 1.00 50.00 H new ATOM 0 HA THR A 52 -1.166 -5.375 8.999 1.00 50.00 H new ATOM 0 HB THR A 52 -1.740 -6.439 11.180 1.00 0.00 H new ATOM 0 HG1 THR A 52 -4.160 -6.323 10.367 1.00 0.00 H new ATOM 0 HG21 THR A 52 -2.039 -4.394 12.547 1.00 0.00 H new ATOM 0 HG22 THR A 52 -0.885 -4.114 11.222 1.00 0.00 H new ATOM 0 HG23 THR A 52 -2.550 -3.498 11.097 1.00 0.00 H new ATOM 394 N CYS A 53 -1.819 -7.496 7.945 1.00 50.00 N ATOM 395 CA CYS A 53 -2.235 -8.754 7.261 1.00 50.00 C ATOM 396 C CYS A 53 -3.009 -9.643 8.235 1.00 50.00 C ATOM 397 O CYS A 53 -4.040 -10.198 7.908 1.00 50.00 O ATOM 398 CB CYS A 53 -0.926 -9.429 6.846 1.00 0.00 C ATOM 399 SG CYS A 53 -1.233 -10.542 5.452 1.00 0.00 S ATOM 0 H CYS A 53 -0.832 -7.255 7.849 1.00 50.00 H new ATOM 0 HA CYS A 53 -2.886 -8.569 6.407 1.00 50.00 H new ATOM 0 HB2 CYS A 53 -0.189 -8.676 6.568 1.00 0.00 H new ATOM 0 HB3 CYS A 53 -0.511 -9.987 7.685 1.00 0.00 H new ATOM 404 N GLY A 54 -2.513 -9.774 9.431 1.00 50.00 N ATOM 405 CA GLY A 54 -3.204 -10.621 10.444 1.00 50.00 C ATOM 406 C GLY A 54 -2.361 -10.658 11.721 1.00 50.00 C ATOM 407 O GLY A 54 -2.878 -10.723 12.818 1.00 50.00 O ATOM 0 H GLY A 54 -1.654 -9.329 9.754 1.00 50.00 H new ATOM 0 HA2 GLY A 54 -4.194 -10.219 10.658 1.00 50.00 H new ATOM 0 HA3 GLY A 54 -3.346 -11.630 10.057 1.00 50.00 H new ATOM 411 N LEU A 55 -1.064 -10.609 11.581 1.00 50.00 N ATOM 412 CA LEU A 55 -0.181 -10.633 12.782 1.00 50.00 C ATOM 413 C LEU A 55 0.790 -9.449 12.735 1.00 50.00 C ATOM 414 O LEU A 55 1.008 -8.868 11.692 1.00 50.00 O ATOM 415 CB LEU A 55 0.583 -11.954 12.686 1.00 0.00 C ATOM 416 CG LEU A 55 -0.402 -13.121 12.774 1.00 0.00 C ATOM 417 CD1 LEU A 55 0.357 -14.442 12.621 1.00 0.00 C ATOM 418 CD2 LEU A 55 -1.105 -13.090 14.133 1.00 0.00 C ATOM 0 H LEU A 55 -0.577 -10.553 10.686 1.00 50.00 H new ATOM 0 HA LEU A 55 -0.742 -10.555 13.713 1.00 50.00 H new ATOM 0 HB2 LEU A 55 1.135 -12.000 11.747 1.00 0.00 H new ATOM 0 HB3 LEU A 55 1.316 -12.022 13.490 1.00 0.00 H new ATOM 0 HG LEU A 55 -1.142 -13.034 11.979 1.00 0.00 H new ATOM 0 HD11 LEU A 55 -0.344 -15.274 12.684 1.00 0.00 H new ATOM 0 HD12 LEU A 55 0.859 -14.463 11.654 1.00 0.00 H new ATOM 0 HD13 LEU A 55 1.097 -14.531 13.416 1.00 0.00 H new ATOM 0 HD21 LEU A 55 -1.808 -13.921 14.198 1.00 0.00 H new ATOM 0 HD22 LEU A 55 -0.364 -13.178 14.928 1.00 0.00 H new ATOM 0 HD23 LEU A 55 -1.644 -12.149 14.242 1.00 0.00 H new ATOM 430 N PRO A 56 1.344 -9.134 13.873 1.00 50.00 N ATOM 431 CA PRO A 56 2.306 -8.008 13.963 1.00 50.00 C ATOM 432 C PRO A 56 3.639 -8.389 13.311 1.00 50.00 C ATOM 433 O PRO A 56 4.536 -7.579 13.189 1.00 50.00 O ATOM 434 CB PRO A 56 2.474 -7.799 15.464 1.00 0.00 C ATOM 435 CG PRO A 56 2.133 -9.121 16.079 1.00 0.00 C ATOM 436 CD PRO A 56 1.132 -9.788 15.169 1.00 0.00 C ATOM 0 HA PRO A 56 1.964 -7.110 13.449 1.00 50.00 H new ATOM 0 HB2 PRO A 56 3.493 -7.501 15.709 1.00 0.00 H new ATOM 0 HB3 PRO A 56 1.815 -7.012 15.829 1.00 0.00 H new ATOM 0 HG2 PRO A 56 3.026 -9.737 16.187 1.00 0.00 H new ATOM 0 HG3 PRO A 56 1.716 -8.986 17.077 1.00 0.00 H new ATOM 0 HD2 PRO A 56 1.302 -10.863 15.107 1.00 0.00 H new ATOM 0 HD3 PRO A 56 0.112 -9.647 15.526 1.00 0.00 H new ATOM 444 N GLY A 57 3.771 -9.619 12.892 1.00 50.00 N ATOM 445 CA GLY A 57 5.043 -10.054 12.249 1.00 50.00 C ATOM 446 C GLY A 57 5.160 -9.419 10.861 1.00 50.00 C ATOM 447 O GLY A 57 6.237 -9.084 10.410 1.00 50.00 O ATOM 0 H GLY A 57 3.054 -10.340 12.967 1.00 50.00 H new ATOM 0 HA2 GLY A 57 5.893 -9.762 12.866 1.00 50.00 H new ATOM 0 HA3 GLY A 57 5.067 -11.141 12.166 1.00 50.00 H new ATOM 451 N THR A 58 4.058 -9.252 10.181 1.00 50.00 N ATOM 452 CA THR A 58 4.103 -8.637 8.823 1.00 50.00 C ATOM 453 C THR A 58 3.031 -7.557 8.699 1.00 50.00 C ATOM 454 O THR A 58 2.124 -7.471 9.503 1.00 50.00 O ATOM 455 CB THR A 58 3.812 -9.784 7.853 1.00 0.00 C ATOM 456 OG1 THR A 58 4.609 -10.910 8.196 1.00 0.00 O ATOM 457 CG2 THR A 58 4.141 -9.340 6.426 1.00 0.00 C ATOM 0 H THR A 58 3.128 -9.515 10.507 1.00 50.00 H new ATOM 0 HA THR A 58 5.064 -8.164 8.620 1.00 50.00 H new ATOM 0 HB THR A 58 2.758 -10.054 7.916 1.00 0.00 H new ATOM 0 HG1 THR A 58 4.421 -11.645 7.575 1.00 0.00 H new ATOM 0 HG21 THR A 58 3.934 -10.156 5.734 1.00 0.00 H new ATOM 0 HG22 THR A 58 3.529 -8.477 6.163 1.00 0.00 H new ATOM 0 HG23 THR A 58 5.195 -9.069 6.363 1.00 0.00 H new ATOM 465 N LYS A 59 3.124 -6.737 7.691 1.00 50.00 N ATOM 466 CA LYS A 59 2.107 -5.667 7.505 1.00 50.00 C ATOM 467 C LYS A 59 1.452 -5.813 6.133 1.00 50.00 C ATOM 468 O LYS A 59 2.110 -6.040 5.138 1.00 50.00 O ATOM 469 CB LYS A 59 2.886 -4.355 7.603 1.00 0.00 C ATOM 470 CG LYS A 59 3.486 -4.225 9.005 1.00 0.00 C ATOM 471 CD LYS A 59 2.361 -4.183 10.043 1.00 0.00 C ATOM 472 CE LYS A 59 2.965 -4.095 11.445 1.00 0.00 C ATOM 473 NZ LYS A 59 1.794 -4.115 12.368 1.00 0.00 N ATOM 0 H LYS A 59 3.862 -6.762 6.987 1.00 50.00 H new ATOM 0 HA LYS A 59 1.309 -5.712 8.246 1.00 50.00 H new ATOM 0 HB2 LYS A 59 3.677 -4.332 6.853 1.00 0.00 H new ATOM 0 HB3 LYS A 59 2.227 -3.511 7.398 1.00 0.00 H new ATOM 0 HG2 LYS A 59 4.150 -5.066 9.207 1.00 0.00 H new ATOM 0 HG3 LYS A 59 4.089 -3.320 9.071 1.00 0.00 H new ATOM 0 HD2 LYS A 59 1.714 -3.325 9.859 1.00 0.00 H new ATOM 0 HD3 LYS A 59 1.740 -5.075 9.958 1.00 0.00 H new ATOM 0 HE2 LYS A 59 3.636 -4.932 11.640 1.00 0.00 H new ATOM 0 HE3 LYS A 59 3.549 -3.183 11.567 1.00 0.00 H new ATOM 0 HZ1 LYS A 59 2.126 -4.058 13.352 1.00 0.00 H new ATOM 0 HZ2 LYS A 59 1.177 -3.303 12.163 1.00 0.00 H new ATOM 0 HZ3 LYS A 59 1.261 -4.998 12.233 1.00 0.00 H new ATOM 487 N CYS A 60 0.155 -5.695 6.074 1.00 50.00 N ATOM 488 CA CYS A 60 -0.543 -5.840 4.766 1.00 50.00 C ATOM 489 C CYS A 60 -0.212 -4.659 3.850 1.00 50.00 C ATOM 490 O CYS A 60 -0.248 -3.514 4.254 1.00 50.00 O ATOM 491 CB CYS A 60 -2.033 -5.857 5.115 1.00 0.00 C ATOM 492 SG CYS A 60 -3.008 -5.890 3.591 1.00 0.00 S ATOM 0 H CYS A 60 -0.451 -5.505 6.872 1.00 50.00 H new ATOM 0 HA CYS A 60 -0.240 -6.741 4.233 1.00 50.00 H new ATOM 0 HB2 CYS A 60 -2.264 -6.729 5.727 1.00 0.00 H new ATOM 0 HB3 CYS A 60 -2.290 -4.977 5.705 1.00 0.00 H new ATOM 497 N CYS A 61 0.110 -4.934 2.614 1.00 50.00 N ATOM 498 CA CYS A 61 0.445 -3.836 1.663 1.00 50.00 C ATOM 499 C CYS A 61 -0.475 -3.902 0.441 1.00 50.00 C ATOM 500 O CYS A 61 -0.982 -4.948 0.090 1.00 50.00 O ATOM 501 CB CYS A 61 1.897 -4.096 1.258 1.00 0.00 C ATOM 502 SG CYS A 61 2.960 -3.984 2.718 1.00 0.00 S ATOM 0 H CYS A 61 0.155 -5.874 2.222 1.00 50.00 H new ATOM 0 HA CYS A 61 0.316 -2.848 2.105 1.00 50.00 H new ATOM 0 HB2 CYS A 61 1.988 -5.083 0.804 1.00 0.00 H new ATOM 0 HB3 CYS A 61 2.212 -3.370 0.509 1.00 0.00 H new ATOM 507 N LYS A 62 -0.702 -2.792 -0.208 1.00 50.00 N ATOM 508 CA LYS A 62 -1.595 -2.799 -1.401 1.00 50.00 C ATOM 509 C LYS A 62 -1.030 -1.895 -2.499 1.00 50.00 C ATOM 510 O LYS A 62 -0.399 -0.892 -2.228 1.00 50.00 O ATOM 511 CB LYS A 62 -2.929 -2.254 -0.893 1.00 0.00 C ATOM 512 CG LYS A 62 -3.956 -2.273 -2.026 1.00 0.00 C ATOM 513 CD LYS A 62 -5.331 -1.884 -1.476 1.00 0.00 C ATOM 514 CE LYS A 62 -6.393 -2.099 -2.556 1.00 0.00 C ATOM 515 NZ LYS A 62 -6.033 -1.142 -3.640 1.00 0.00 N ATOM 0 H LYS A 62 -0.309 -1.883 0.036 1.00 50.00 H new ATOM 0 HA LYS A 62 -1.695 -3.794 -1.835 1.00 50.00 H new ATOM 0 HB2 LYS A 62 -3.284 -2.856 -0.056 1.00 0.00 H new ATOM 0 HB3 LYS A 62 -2.800 -1.237 -0.522 1.00 0.00 H new ATOM 0 HG2 LYS A 62 -3.658 -1.580 -2.813 1.00 0.00 H new ATOM 0 HG3 LYS A 62 -4.000 -3.265 -2.475 1.00 0.00 H new ATOM 0 HD2 LYS A 62 -5.565 -2.484 -0.596 1.00 0.00 H new ATOM 0 HD3 LYS A 62 -5.326 -0.841 -1.159 1.00 0.00 H new ATOM 0 HE2 LYS A 62 -6.387 -3.127 -2.918 1.00 0.00 H new ATOM 0 HE3 LYS A 62 -7.394 -1.903 -2.171 1.00 0.00 H new ATOM 0 HZ1 LYS A 62 -6.871 -0.949 -4.225 1.00 0.00 H new ATOM 0 HZ2 LYS A 62 -5.692 -0.254 -3.220 1.00 0.00 H new ATOM 0 HZ3 LYS A 62 -5.285 -1.554 -4.233 1.00 0.00 H new ATOM 529 N LYS A 63 -1.254 -2.240 -3.737 1.00 50.00 N ATOM 530 CA LYS A 63 -0.733 -1.399 -4.853 1.00 50.00 C ATOM 531 C LYS A 63 -1.699 -0.248 -5.143 1.00 50.00 C ATOM 532 O LYS A 63 -2.879 -0.343 -4.867 1.00 50.00 O ATOM 533 CB LYS A 63 -0.648 -2.342 -6.054 1.00 0.00 C ATOM 534 CG LYS A 63 0.337 -3.473 -5.748 1.00 0.00 C ATOM 535 CD LYS A 63 0.312 -4.495 -6.886 1.00 0.00 C ATOM 536 CE LYS A 63 1.324 -5.605 -6.597 1.00 0.00 C ATOM 537 NZ LYS A 63 1.133 -6.593 -7.696 1.00 0.00 N ATOM 0 H LYS A 63 -1.775 -3.068 -4.025 1.00 50.00 H new ATOM 0 HA LYS A 63 0.233 -0.952 -4.617 1.00 50.00 H new ATOM 0 HB2 LYS A 63 -1.632 -2.753 -6.277 1.00 0.00 H new ATOM 0 HB3 LYS A 63 -0.324 -1.793 -6.938 1.00 0.00 H new ATOM 0 HG2 LYS A 63 1.343 -3.071 -5.629 1.00 0.00 H new ATOM 0 HG3 LYS A 63 0.073 -3.955 -4.807 1.00 0.00 H new ATOM 0 HD2 LYS A 63 -0.688 -4.917 -6.988 1.00 0.00 H new ATOM 0 HD3 LYS A 63 0.550 -4.008 -7.832 1.00 0.00 H new ATOM 0 HE2 LYS A 63 2.343 -5.218 -6.586 1.00 0.00 H new ATOM 0 HE3 LYS A 63 1.145 -6.059 -5.622 1.00 0.00 H new ATOM 0 HZ1 LYS A 63 1.793 -7.386 -7.568 1.00 0.00 H new ATOM 0 HZ2 LYS A 63 0.156 -6.949 -7.677 1.00 0.00 H new ATOM 0 HZ3 LYS A 63 1.316 -6.134 -8.611 1.00 0.00 H new