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= 0.144 USER MOD Single : A 33 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 34 SER OG : rot 180:sc= -0.0202 USER MOD Single : A 39 HIS : no HE2:sc= -2.94! C(o=-2.9!,f=-10!) USER MOD Single : A 47 TYR OH : rot 150:sc= 0 USER MOD Single : A 48 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 49 GLN : amide:sc=0.000409 K(o=0.00041,f=-1.6!) USER MOD Single : A 52 THR OG1 : rot 27:sc= 0.0915 USER MOD Single : A 58 THR OG1 : rot 180:sc= 0 USER MOD Single : A 59 LYS NZ :NH3+ 157:sc= -0.0539 (180deg=-0.552) 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 -7.263 -9.543 6.778 1.00 50.00 N ATOM 34 CA THR A 30 -6.534 -10.490 5.885 1.00 50.00 C ATOM 35 C THR A 30 -6.256 -9.837 4.528 1.00 50.00 C ATOM 36 O THR A 30 -5.437 -10.303 3.761 1.00 50.00 O ATOM 37 CB THR A 30 -7.474 -11.687 5.728 1.00 0.00 C ATOM 38 OG1 THR A 30 -7.670 -12.299 6.994 1.00 0.00 O ATOM 39 CG2 THR A 30 -6.861 -12.699 4.760 1.00 0.00 C ATOM 0 HA THR A 30 -5.567 -10.783 6.294 1.00 50.00 H new ATOM 0 HB THR A 30 -8.432 -11.348 5.334 1.00 0.00 H new ATOM 0 HG1 THR A 30 -7.601 -11.622 7.699 1.00 0.00 H new ATOM 0 HG21 THR A 30 -7.533 -13.550 4.650 1.00 0.00 H new ATOM 0 HG22 THR A 30 -6.710 -12.228 3.789 1.00 0.00 H new ATOM 0 HG23 THR A 30 -5.902 -13.041 5.150 1.00 0.00 H new ATOM 47 N CYS A 31 -6.929 -8.760 4.227 1.00 50.00 N ATOM 48 CA CYS A 31 -6.701 -8.073 2.922 1.00 50.00 C ATOM 49 C CYS A 31 -6.921 -9.043 1.757 1.00 50.00 C ATOM 50 O CYS A 31 -6.344 -8.893 0.699 1.00 50.00 O ATOM 51 CB CYS A 31 -5.242 -7.616 2.962 1.00 0.00 C ATOM 52 SG CYS A 31 -5.060 -6.270 4.158 1.00 0.00 S ATOM 0 H CYS A 31 -7.628 -8.325 4.829 1.00 50.00 H new ATOM 0 HA CYS A 31 -7.390 -7.241 2.775 1.00 50.00 H new ATOM 0 HB2 CYS A 31 -4.597 -8.450 3.237 1.00 0.00 H new ATOM 0 HB3 CYS A 31 -4.928 -7.282 1.973 1.00 0.00 H new ATOM 57 N LEU A 32 -7.751 -10.033 1.940 1.00 50.00 N ATOM 58 CA LEU A 32 -8.000 -11.003 0.834 1.00 50.00 C ATOM 59 C LEU A 32 -8.934 -10.384 -0.207 1.00 50.00 C ATOM 60 O LEU A 32 -8.722 -10.504 -1.398 1.00 50.00 O ATOM 61 CB LEU A 32 -8.660 -12.212 1.502 1.00 0.00 C ATOM 62 CG LEU A 32 -8.997 -13.262 0.440 1.00 0.00 C ATOM 63 CD1 LEU A 32 -7.707 -13.742 -0.228 1.00 0.00 C ATOM 64 CD2 LEU A 32 -9.700 -14.450 1.101 1.00 0.00 C ATOM 0 H LEU A 32 -8.265 -10.213 2.802 1.00 50.00 H new ATOM 0 HA LEU A 32 -7.084 -11.281 0.313 1.00 50.00 H new ATOM 0 HB2 LEU A 32 -7.991 -12.638 2.250 1.00 0.00 H new ATOM 0 HB3 LEU A 32 -9.566 -11.903 2.023 1.00 0.00 H new ATOM 0 HG LEU A 32 -9.654 -12.822 -0.310 1.00 0.00 H new ATOM 0 HD11 LEU A 32 -7.945 -14.490 -0.984 1.00 0.00 H new ATOM 0 HD12 LEU A 32 -7.205 -12.897 -0.699 1.00 0.00 H new ATOM 0 HD13 LEU A 32 -7.050 -14.182 0.523 1.00 0.00 H new ATOM 0 HD21 LEU A 32 -9.940 -15.197 0.345 1.00 0.00 H new ATOM 0 HD22 LEU A 32 -9.043 -14.890 1.851 1.00 0.00 H new ATOM 0 HD23 LEU A 32 -10.619 -14.109 1.579 1.00 0.00 H new ATOM 76 N LYS A 33 -9.965 -9.720 0.233 1.00 50.00 N ATOM 77 CA LYS A 33 -10.914 -9.089 -0.730 1.00 50.00 C ATOM 78 C LYS A 33 -10.225 -7.945 -1.474 1.00 50.00 C ATOM 79 O LYS A 33 -10.487 -7.696 -2.634 1.00 50.00 O ATOM 80 CB LYS A 33 -12.056 -8.552 0.131 1.00 0.00 C ATOM 81 CG LYS A 33 -12.907 -9.718 0.637 1.00 0.00 C ATOM 82 CD LYS A 33 -14.075 -9.176 1.460 1.00 0.00 C ATOM 83 CE LYS A 33 -14.971 -10.335 1.899 1.00 0.00 C ATOM 84 NZ LYS A 33 -16.058 -9.696 2.690 1.00 0.00 N ATOM 0 H LYS A 33 -10.193 -9.586 1.218 1.00 50.00 H new ATOM 0 HA LYS A 33 -11.267 -9.794 -1.482 1.00 50.00 H new ATOM 0 HB2 LYS A 33 -11.656 -7.988 0.973 1.00 0.00 H new ATOM 0 HB3 LYS A 33 -12.671 -7.865 -0.450 1.00 0.00 H new ATOM 0 HG2 LYS A 33 -13.281 -10.301 -0.204 1.00 0.00 H new ATOM 0 HG3 LYS A 33 -12.300 -10.388 1.245 1.00 0.00 H new ATOM 0 HD2 LYS A 33 -13.701 -8.641 2.333 1.00 0.00 H new ATOM 0 HD3 LYS A 33 -14.649 -8.462 0.870 1.00 0.00 H new ATOM 0 HE2 LYS A 33 -15.371 -10.873 1.040 1.00 0.00 H new ATOM 0 HE3 LYS A 33 -14.418 -11.058 2.499 1.00 0.00 H new ATOM 0 HZ1 LYS A 33 -16.717 -10.426 3.028 1.00 0.00 H new ATOM 0 HZ2 LYS A 33 -15.647 -9.197 3.504 1.00 0.00 H new ATOM 0 HZ3 LYS A 33 -16.571 -9.018 2.091 1.00 0.00 H new ATOM 98 N SER A 34 -9.347 -7.247 -0.811 1.00 50.00 N ATOM 99 CA SER A 34 -8.638 -6.116 -1.473 1.00 50.00 C ATOM 100 C SER A 34 -7.624 -6.648 -2.489 1.00 50.00 C ATOM 101 O SER A 34 -7.261 -5.971 -3.430 1.00 50.00 O ATOM 102 CB SER A 34 -7.929 -5.378 -0.337 1.00 0.00 C ATOM 103 OG SER A 34 -7.016 -6.258 0.301 1.00 0.00 O ATOM 0 H SER A 34 -9.089 -7.411 0.162 1.00 50.00 H new ATOM 0 HA SER A 34 -9.318 -5.463 -2.021 1.00 50.00 H new ATOM 0 HB2 SER A 34 -7.400 -4.509 -0.728 1.00 0.00 H new ATOM 0 HB3 SER A 34 -8.659 -5.009 0.383 1.00 0.00 H new ATOM 0 HG SER A 34 -6.560 -5.785 1.028 1.00 0.00 H new ATOM 109 N GLY A 35 -7.165 -7.857 -2.307 1.00 50.00 N ATOM 110 CA GLY A 35 -6.178 -8.432 -3.265 1.00 50.00 C ATOM 111 C GLY A 35 -4.799 -7.819 -3.012 1.00 50.00 C ATOM 112 O GLY A 35 -3.884 -7.985 -3.794 1.00 50.00 O ATOM 0 H GLY A 35 -7.431 -8.471 -1.537 1.00 50.00 H new ATOM 0 HA2 GLY A 35 -6.132 -9.515 -3.149 1.00 50.00 H new ATOM 0 HA3 GLY A 35 -6.493 -8.234 -4.290 1.00 50.00 H new ATOM 116 N ALA A 36 -4.641 -7.111 -1.928 1.00 50.00 N ATOM 117 CA ALA A 36 -3.318 -6.490 -1.632 1.00 50.00 C ATOM 118 C ALA A 36 -2.344 -7.545 -1.103 1.00 50.00 C ATOM 119 O ALA A 36 -2.744 -8.561 -0.569 1.00 50.00 O ATOM 120 CB ALA A 36 -3.603 -5.440 -0.558 1.00 0.00 C ATOM 0 H ALA A 36 -5.369 -6.935 -1.235 1.00 50.00 H new ATOM 0 HA ALA A 36 -2.861 -6.052 -2.520 1.00 50.00 H new ATOM 0 HB1 ALA A 36 -2.675 -4.937 -0.286 1.00 0.00 H new ATOM 0 HB2 ALA A 36 -4.313 -4.708 -0.944 1.00 0.00 H new ATOM 0 HB3 ALA A 36 -4.025 -5.925 0.322 1.00 0.00 H new ATOM 126 N ILE A 37 -1.069 -7.311 -1.244 1.00 50.00 N ATOM 127 CA ILE A 37 -0.070 -8.300 -0.746 1.00 50.00 C ATOM 128 C ILE A 37 0.376 -7.931 0.670 1.00 50.00 C ATOM 129 O ILE A 37 0.120 -6.845 1.148 1.00 50.00 O ATOM 130 CB ILE A 37 1.104 -8.206 -1.723 1.00 0.00 C ATOM 131 CG1 ILE A 37 1.796 -6.848 -1.571 1.00 0.00 C ATOM 132 CG2 ILE A 37 0.589 -8.356 -3.156 1.00 0.00 C ATOM 133 CD1 ILE A 37 3.226 -6.943 -2.105 1.00 0.00 C ATOM 0 H ILE A 37 -0.675 -6.479 -1.682 1.00 50.00 H new ATOM 0 HA ILE A 37 -0.477 -9.310 -0.697 1.00 50.00 H new ATOM 0 HB ILE A 37 1.817 -9.001 -1.506 1.00 0.00 H new ATOM 0 HG12 ILE A 37 1.243 -6.083 -2.116 1.00 0.00 H new ATOM 0 HG13 ILE A 37 1.807 -6.548 -0.523 1.00 0.00 H new ATOM 0 HG21 ILE A 37 1.425 -8.289 -3.852 1.00 0.00 H new ATOM 0 HG22 ILE A 37 0.101 -9.324 -3.268 1.00 0.00 H new ATOM 0 HG23 ILE A 37 -0.126 -7.562 -3.371 1.00 0.00 H new ATOM 0 HD11 ILE A 37 3.719 -5.977 -1.997 1.00 0.00 H new ATOM 0 HD12 ILE A 37 3.776 -7.696 -1.541 1.00 0.00 H new ATOM 0 HD13 ILE A 37 3.203 -7.223 -3.158 1.00 0.00 H new ATOM 145 N CYS A 38 1.046 -8.825 1.341 1.00 50.00 N ATOM 146 CA CYS A 38 1.512 -8.521 2.723 1.00 50.00 C ATOM 147 C CYS A 38 3.029 -8.325 2.731 1.00 50.00 C ATOM 148 O CYS A 38 3.745 -8.924 1.953 1.00 50.00 O ATOM 149 CB CYS A 38 1.119 -9.743 3.553 1.00 0.00 C ATOM 150 SG CYS A 38 -0.682 -9.797 3.725 1.00 0.00 S ATOM 0 H CYS A 38 1.291 -9.752 0.993 1.00 50.00 H new ATOM 0 HA CYS A 38 1.071 -7.606 3.119 1.00 50.00 H new ATOM 0 HB2 CYS A 38 1.477 -10.653 3.073 1.00 0.00 H new ATOM 0 HB3 CYS A 38 1.588 -9.695 4.536 1.00 0.00 H new ATOM 155 N HIS A 39 3.523 -7.488 3.598 1.00 50.00 N ATOM 156 CA HIS A 39 4.996 -7.251 3.646 1.00 50.00 C ATOM 157 C HIS A 39 5.477 -7.170 5.096 1.00 50.00 C ATOM 158 O HIS A 39 4.774 -6.677 5.957 1.00 50.00 O ATOM 159 CB HIS A 39 5.200 -5.907 2.946 1.00 0.00 C ATOM 160 CG HIS A 39 6.650 -5.734 2.589 1.00 0.00 C ATOM 161 ND1 HIS A 39 7.613 -5.434 3.540 1.00 0.00 N ATOM 162 CD2 HIS A 39 7.318 -5.809 1.391 1.00 0.00 C ATOM 163 CE1 HIS A 39 8.796 -5.340 2.905 1.00 0.00 C ATOM 164 NE2 HIS A 39 8.673 -5.560 1.594 1.00 0.00 N ATOM 0 H HIS A 39 2.974 -6.958 4.275 1.00 50.00 H new ATOM 0 HA HIS A 39 5.557 -8.055 3.170 1.00 50.00 H new ATOM 0 HB2 HIS A 39 4.586 -5.858 2.047 1.00 0.00 H new ATOM 0 HB3 HIS A 39 4.877 -5.095 3.597 1.00 0.00 H new ATOM 0 HD1 HIS A 39 7.454 -5.307 4.540 1.00 0.00 H new ATOM 0 HD2 HIS A 39 6.862 -6.028 0.437 1.00 0.00 H new ATOM 0 HE1 HIS A 39 9.731 -5.114 3.396 1.00 0.00 H new ATOM 172 N PRO A 40 6.670 -7.652 5.315 1.00 50.00 N ATOM 173 CA PRO A 40 7.265 -7.627 6.674 1.00 50.00 C ATOM 174 C PRO A 40 7.590 -6.188 7.089 1.00 50.00 C ATOM 175 O PRO A 40 7.701 -5.304 6.263 1.00 50.00 O ATOM 176 CB PRO A 40 8.540 -8.454 6.523 1.00 0.00 C ATOM 177 CG PRO A 40 8.882 -8.361 5.070 1.00 0.00 C ATOM 178 CD PRO A 40 7.574 -8.261 4.331 1.00 0.00 C ATOM 0 HA PRO A 40 6.598 -8.020 7.442 1.00 50.00 H new ATOM 0 HB2 PRO A 40 9.344 -8.060 7.145 1.00 0.00 H new ATOM 0 HB3 PRO A 40 8.380 -9.488 6.827 1.00 0.00 H new ATOM 0 HG2 PRO A 40 9.507 -7.490 4.873 1.00 0.00 H new ATOM 0 HG3 PRO A 40 9.445 -9.237 4.747 1.00 0.00 H new ATOM 0 HD2 PRO A 40 7.665 -7.647 3.435 1.00 0.00 H new ATOM 0 HD3 PRO A 40 7.218 -9.240 4.011 1.00 0.00 H new ATOM 186 N VAL A 41 7.743 -5.952 8.363 1.00 50.00 N ATOM 187 CA VAL A 41 8.060 -4.574 8.840 1.00 50.00 C ATOM 188 C VAL A 41 6.918 -3.609 8.481 1.00 50.00 C ATOM 189 O VAL A 41 5.929 -3.528 9.183 1.00 50.00 O ATOM 190 CB VAL A 41 9.363 -4.198 8.127 1.00 0.00 C ATOM 191 CG1 VAL A 41 9.920 -2.907 8.730 1.00 0.00 C ATOM 192 CG2 VAL A 41 10.383 -5.323 8.312 1.00 0.00 C ATOM 0 H VAL A 41 7.662 -6.656 9.097 1.00 50.00 H new ATOM 0 HA VAL A 41 8.171 -4.520 9.923 1.00 50.00 H new ATOM 0 HB VAL A 41 9.168 -4.050 7.065 1.00 0.00 H new ATOM 0 HG11 VAL A 41 10.847 -2.639 8.223 1.00 0.00 H new ATOM 0 HG12 VAL A 41 9.193 -2.104 8.606 1.00 0.00 H new ATOM 0 HG13 VAL A 41 10.117 -3.057 9.792 1.00 0.00 H new ATOM 0 HG21 VAL A 41 11.312 -5.059 7.806 1.00 0.00 H new ATOM 0 HG22 VAL A 41 10.577 -5.467 9.375 1.00 0.00 H new ATOM 0 HG23 VAL A 41 9.988 -6.246 7.887 1.00 0.00 H new ATOM 202 N PHE A 42 7.033 -2.879 7.401 1.00 50.00 N ATOM 203 CA PHE A 42 5.941 -1.936 7.023 1.00 50.00 C ATOM 204 C PHE A 42 5.893 -1.770 5.499 1.00 50.00 C ATOM 205 O PHE A 42 6.879 -1.958 4.815 1.00 50.00 O ATOM 206 CB PHE A 42 6.303 -0.615 7.705 1.00 0.00 C ATOM 207 CG PHE A 42 7.536 -0.036 7.058 1.00 0.00 C ATOM 208 CD1 PHE A 42 7.420 0.718 5.886 1.00 0.00 C ATOM 209 CD2 PHE A 42 8.795 -0.254 7.628 1.00 0.00 C ATOM 210 CE1 PHE A 42 8.562 1.254 5.282 1.00 0.00 C ATOM 211 CE2 PHE A 42 9.938 0.281 7.024 1.00 0.00 C ATOM 212 CZ PHE A 42 9.822 1.036 5.850 1.00 0.00 C ATOM 0 H PHE A 42 7.833 -2.896 6.768 1.00 50.00 H new ATOM 0 HA PHE A 42 4.958 -2.292 7.332 1.00 50.00 H new ATOM 0 HB2 PHE A 42 5.473 0.087 7.625 1.00 0.00 H new ATOM 0 HB3 PHE A 42 6.480 -0.779 8.768 1.00 0.00 H new ATOM 0 HD1 PHE A 42 6.448 0.887 5.447 1.00 0.00 H new ATOM 0 HD2 PHE A 42 8.885 -0.835 8.534 1.00 0.00 H new ATOM 0 HE1 PHE A 42 8.471 1.836 4.377 1.00 0.00 H new ATOM 0 HE2 PHE A 42 10.910 0.112 7.463 1.00 0.00 H new ATOM 0 HZ PHE A 42 10.704 1.449 5.384 1.00 0.00 H new ATOM 222 N CYS A 43 4.752 -1.426 4.962 1.00 50.00 N ATOM 223 CA CYS A 43 4.641 -1.257 3.481 1.00 50.00 C ATOM 224 C CYS A 43 5.566 -0.136 2.996 1.00 50.00 C ATOM 225 O CYS A 43 5.599 0.933 3.569 1.00 50.00 O ATOM 226 CB CYS A 43 3.178 -0.883 3.230 1.00 0.00 C ATOM 227 SG CYS A 43 2.096 -2.172 3.895 1.00 0.00 S ATOM 0 H CYS A 43 3.892 -1.255 5.483 1.00 50.00 H new ATOM 0 HA CYS A 43 4.932 -2.161 2.946 1.00 50.00 H new ATOM 0 HB2 CYS A 43 2.951 0.074 3.700 1.00 0.00 H new ATOM 0 HB3 CYS A 43 3.002 -0.762 2.161 1.00 0.00 H new ATOM 232 N PRO A 44 6.282 -0.421 1.943 1.00 50.00 N ATOM 233 CA PRO A 44 7.216 0.576 1.363 1.00 50.00 C ATOM 234 C PRO A 44 6.440 1.736 0.739 1.00 50.00 C ATOM 235 O PRO A 44 5.283 1.956 1.034 1.00 50.00 O ATOM 236 CB PRO A 44 7.969 -0.217 0.296 1.00 0.00 C ATOM 237 CG PRO A 44 7.048 -1.335 -0.062 1.00 0.00 C ATOM 238 CD PRO A 44 6.289 -1.681 1.193 1.00 0.00 C ATOM 0 HA PRO A 44 7.881 1.022 2.102 1.00 50.00 H new ATOM 0 HB2 PRO A 44 8.196 0.402 -0.572 1.00 0.00 H new ATOM 0 HB3 PRO A 44 8.919 -0.592 0.677 1.00 0.00 H new ATOM 0 HG2 PRO A 44 6.366 -1.036 -0.858 1.00 0.00 H new ATOM 0 HG3 PRO A 44 7.607 -2.196 -0.428 1.00 0.00 H new ATOM 0 HD2 PRO A 44 5.278 -2.022 0.970 1.00 0.00 H new ATOM 0 HD3 PRO A 44 6.778 -2.479 1.752 1.00 0.00 H new ATOM 246 N ARG A 45 7.077 2.479 -0.116 1.00 50.00 N ATOM 247 CA ARG A 45 6.393 3.637 -0.761 1.00 50.00 C ATOM 248 C ARG A 45 5.456 3.160 -1.872 1.00 50.00 C ATOM 249 O ARG A 45 4.340 3.622 -1.996 1.00 50.00 O ATOM 250 CB ARG A 45 7.523 4.488 -1.342 1.00 0.00 C ATOM 251 CG ARG A 45 6.932 5.683 -2.095 1.00 0.00 C ATOM 252 CD ARG A 45 8.026 6.350 -2.932 1.00 0.00 C ATOM 253 NE ARG A 45 7.382 7.566 -3.506 1.00 0.00 N ATOM 254 CZ ARG A 45 7.948 8.197 -4.501 1.00 0.00 C ATOM 255 NH1 ARG A 45 7.496 8.041 -5.715 1.00 0.00 N ATOM 256 NH2 ARG A 45 8.962 8.987 -4.280 1.00 0.00 N ATOM 0 H ARG A 45 8.046 2.337 -0.400 1.00 50.00 H new ATOM 0 HA ARG A 45 5.779 4.195 -0.054 1.00 50.00 H new ATOM 0 HB2 ARG A 45 8.177 4.836 -0.543 1.00 0.00 H new ATOM 0 HB3 ARG A 45 8.135 3.887 -2.015 1.00 0.00 H new ATOM 0 HG2 ARG A 45 6.117 5.354 -2.739 1.00 0.00 H new ATOM 0 HG3 ARG A 45 6.511 6.399 -1.389 1.00 0.00 H new ATOM 0 HD2 ARG A 45 8.888 6.612 -2.319 1.00 0.00 H new ATOM 0 HD3 ARG A 45 8.384 5.684 -3.717 1.00 0.00 H new ATOM 0 HE ARG A 45 6.500 7.905 -3.122 1.00 0.00 H new ATOM 0 HH11 ARG A 45 6.701 7.426 -5.888 1.00 0.00 H new ATOM 0 HH12 ARG A 45 7.938 8.534 -6.491 1.00 0.00 H new ATOM 0 HH21 ARG A 45 9.313 9.112 -3.331 1.00 0.00 H new ATOM 0 HH22 ARG A 45 9.404 9.479 -5.056 1.00 0.00 H new ATOM 270 N ARG A 46 5.902 2.245 -2.684 1.00 50.00 N ATOM 271 CA ARG A 46 5.036 1.746 -3.790 1.00 50.00 C ATOM 272 C ARG A 46 3.769 1.100 -3.226 1.00 50.00 C ATOM 273 O ARG A 46 2.720 1.132 -3.836 1.00 50.00 O ATOM 274 CB ARG A 46 5.882 0.707 -4.526 1.00 0.00 C ATOM 275 CG ARG A 46 6.989 1.411 -5.312 1.00 0.00 C ATOM 276 CD ARG A 46 6.372 2.196 -6.472 1.00 0.00 C ATOM 277 NE ARG A 46 5.726 1.163 -7.330 1.00 0.00 N ATOM 278 CZ ARG A 46 6.411 0.575 -8.273 1.00 0.00 C ATOM 279 NH1 ARG A 46 6.393 1.053 -9.487 1.00 0.00 N ATOM 280 NH2 ARG A 46 7.115 -0.489 -8.000 1.00 0.00 N ATOM 0 H ARG A 46 6.828 1.820 -2.631 1.00 50.00 H new ATOM 0 HA ARG A 46 4.715 2.551 -4.450 1.00 50.00 H new ATOM 0 HB2 ARG A 46 6.317 0.006 -3.813 1.00 0.00 H new ATOM 0 HB3 ARG A 46 5.255 0.126 -5.202 1.00 0.00 H new ATOM 0 HG2 ARG A 46 7.543 2.084 -4.657 1.00 0.00 H new ATOM 0 HG3 ARG A 46 7.701 0.679 -5.693 1.00 0.00 H new ATOM 0 HD2 ARG A 46 5.644 2.924 -6.114 1.00 0.00 H new ATOM 0 HD3 ARG A 46 7.132 2.749 -7.024 1.00 0.00 H new ATOM 0 HE ARG A 46 4.748 0.915 -7.180 1.00 0.00 H new ATOM 0 HH11 ARG A 46 5.844 1.886 -9.699 1.00 0.00 H new ATOM 0 HH12 ARG A 46 6.928 0.594 -10.224 1.00 0.00 H new ATOM 0 HH21 ARG A 46 7.130 -0.861 -7.050 1.00 0.00 H new ATOM 0 HH22 ARG A 46 7.650 -0.949 -8.736 1.00 0.00 H new ATOM 294 N TYR A 47 3.860 0.511 -2.068 1.00 50.00 N ATOM 295 CA TYR A 47 2.659 -0.140 -1.471 1.00 50.00 C ATOM 296 C TYR A 47 2.109 0.704 -0.320 1.00 50.00 C ATOM 297 O TYR A 47 2.840 1.386 0.371 1.00 50.00 O ATOM 298 CB TYR A 47 3.155 -1.486 -0.947 1.00 0.00 C ATOM 299 CG TYR A 47 3.553 -2.369 -2.105 1.00 0.00 C ATOM 300 CD1 TYR A 47 4.751 -2.130 -2.787 1.00 0.00 C ATOM 301 CD2 TYR A 47 2.724 -3.428 -2.494 1.00 0.00 C ATOM 302 CE1 TYR A 47 5.122 -2.950 -3.858 1.00 0.00 C ATOM 303 CE2 TYR A 47 3.094 -4.249 -3.565 1.00 0.00 C ATOM 304 CZ TYR A 47 4.293 -4.010 -4.247 1.00 0.00 C ATOM 305 OH TYR A 47 4.659 -4.821 -5.303 1.00 0.00 O ATOM 0 H TYR A 47 4.711 0.451 -1.509 1.00 50.00 H new ATOM 0 HA TYR A 47 1.854 -0.252 -2.197 1.00 50.00 H new ATOM 0 HB2 TYR A 47 4.006 -1.337 -0.282 1.00 0.00 H new ATOM 0 HB3 TYR A 47 2.373 -1.969 -0.361 1.00 0.00 H new ATOM 0 HD1 TYR A 47 5.389 -1.312 -2.487 1.00 0.00 H new ATOM 0 HD2 TYR A 47 1.799 -3.611 -1.968 1.00 0.00 H new ATOM 0 HE1 TYR A 47 6.047 -2.766 -4.384 1.00 0.00 H new ATOM 0 HE2 TYR A 47 2.455 -5.066 -3.865 1.00 0.00 H new ATOM 0 HH TYR A 47 4.299 -5.722 -5.164 1.00 0.00 H new ATOM 315 N LYS A 48 0.824 0.654 -0.104 1.00 50.00 N ATOM 316 CA LYS A 48 0.223 1.442 1.007 1.00 50.00 C ATOM 317 C LYS A 48 -0.217 0.498 2.130 1.00 50.00 C ATOM 318 O LYS A 48 -0.859 -0.505 1.894 1.00 50.00 O ATOM 319 CB LYS A 48 -0.981 2.148 0.384 1.00 0.00 C ATOM 320 CG LYS A 48 -0.491 3.180 -0.633 1.00 0.00 C ATOM 321 CD LYS A 48 -1.689 3.770 -1.379 1.00 0.00 C ATOM 322 CE LYS A 48 -1.206 4.862 -2.336 1.00 0.00 C ATOM 323 NZ LYS A 48 -2.434 5.314 -3.048 1.00 0.00 N ATOM 0 H LYS A 48 0.164 0.101 -0.650 1.00 50.00 H new ATOM 0 HA LYS A 48 0.922 2.154 1.445 1.00 50.00 H new ATOM 0 HB2 LYS A 48 -1.632 1.421 -0.103 1.00 0.00 H new ATOM 0 HB3 LYS A 48 -1.572 2.636 1.159 1.00 0.00 H new ATOM 0 HG2 LYS A 48 0.061 3.972 -0.126 1.00 0.00 H new ATOM 0 HG3 LYS A 48 0.196 2.713 -1.339 1.00 0.00 H new ATOM 0 HD2 LYS A 48 -2.207 2.988 -1.934 1.00 0.00 H new ATOM 0 HD3 LYS A 48 -2.405 4.184 -0.669 1.00 0.00 H new ATOM 0 HE2 LYS A 48 -0.738 5.684 -1.794 1.00 0.00 H new ATOM 0 HE3 LYS A 48 -0.463 4.476 -3.034 1.00 0.00 H new ATOM 0 HZ1 LYS A 48 -2.187 6.064 -3.724 1.00 0.00 H new ATOM 0 HZ2 LYS A 48 -2.854 4.512 -3.559 1.00 0.00 H new ATOM 0 HZ3 LYS A 48 -3.120 5.682 -2.358 1.00 0.00 H new ATOM 337 N GLN A 49 0.136 0.806 3.346 1.00 50.00 N ATOM 338 CA GLN A 49 -0.249 -0.080 4.482 1.00 50.00 C ATOM 339 C GLN A 49 -1.677 0.222 4.944 1.00 50.00 C ATOM 340 O GLN A 49 -1.919 1.175 5.656 1.00 50.00 O ATOM 341 CB GLN A 49 0.753 0.248 5.588 1.00 0.00 C ATOM 342 CG GLN A 49 0.567 -0.724 6.753 1.00 0.00 C ATOM 343 CD GLN A 49 1.607 -0.422 7.835 1.00 0.00 C ATOM 344 OE1 GLN A 49 2.586 0.251 7.580 1.00 0.00 O ATOM 345 NE2 GLN A 49 1.436 -0.894 9.039 1.00 0.00 N ATOM 0 H GLN A 49 0.675 1.633 3.604 1.00 50.00 H new ATOM 0 HA GLN A 49 -0.229 -1.134 4.206 1.00 50.00 H new ATOM 0 HB2 GLN A 49 1.770 0.179 5.203 1.00 0.00 H new ATOM 0 HB3 GLN A 49 0.610 1.273 5.930 1.00 0.00 H new ATOM 0 HG2 GLN A 49 -0.439 -0.630 7.163 1.00 0.00 H new ATOM 0 HG3 GLN A 49 0.675 -1.751 6.405 1.00 0.00 H new ATOM 0 HE21 GLN A 49 0.614 -1.459 9.253 1.00 0.00 H new ATOM 0 HE22 GLN A 49 2.124 -0.698 9.766 1.00 0.00 H new ATOM 354 N ILE A 50 -2.623 -0.589 4.553 1.00 50.00 N ATOM 355 CA ILE A 50 -4.030 -0.350 4.983 1.00 50.00 C ATOM 356 C ILE A 50 -4.169 -0.645 6.477 1.00 50.00 C ATOM 357 O ILE A 50 -4.969 -0.050 7.169 1.00 50.00 O ATOM 358 CB ILE A 50 -4.874 -1.333 4.170 1.00 0.00 C ATOM 359 CG1 ILE A 50 -4.723 -1.031 2.679 1.00 0.00 C ATOM 360 CG2 ILE A 50 -6.344 -1.195 4.574 1.00 0.00 C ATOM 361 CD1 ILE A 50 -5.282 -2.202 1.868 1.00 0.00 C ATOM 0 H ILE A 50 -2.483 -1.404 3.956 1.00 50.00 H new ATOM 0 HA ILE A 50 -4.342 0.682 4.820 1.00 50.00 H new ATOM 0 HB ILE A 50 -4.535 -2.350 4.367 1.00 0.00 H new ATOM 0 HG12 ILE A 50 -5.253 -0.113 2.426 1.00 0.00 H new ATOM 0 HG13 ILE A 50 -3.673 -0.871 2.433 1.00 0.00 H new ATOM 0 HG21 ILE A 50 -6.947 -1.895 3.996 1.00 0.00 H new ATOM 0 HG22 ILE A 50 -6.452 -1.415 5.636 1.00 0.00 H new ATOM 0 HG23 ILE A 50 -6.681 -0.177 4.378 1.00 0.00 H new ATOM 0 HD11 ILE A 50 -5.176 -1.991 0.804 1.00 0.00 H new ATOM 0 HD12 ILE A 50 -4.732 -3.110 2.114 1.00 0.00 H new ATOM 0 HD13 ILE A 50 -6.336 -2.340 2.108 1.00 0.00 H new ATOM 373 N GLY A 51 -3.391 -1.566 6.975 1.00 50.00 N ATOM 374 CA GLY A 51 -3.469 -1.911 8.421 1.00 50.00 C ATOM 375 C GLY A 51 -2.487 -3.046 8.724 1.00 50.00 C ATOM 376 O GLY A 51 -1.304 -2.826 8.893 1.00 50.00 O ATOM 0 H GLY A 51 -2.703 -2.096 6.440 1.00 50.00 H new ATOM 0 HA2 GLY A 51 -3.232 -1.038 9.028 1.00 50.00 H new ATOM 0 HA3 GLY A 51 -4.484 -2.214 8.680 1.00 50.00 H new ATOM 380 N THR A 52 -2.968 -4.258 8.791 1.00 50.00 N ATOM 381 CA THR A 52 -2.059 -5.405 9.082 1.00 50.00 C ATOM 382 C THR A 52 -2.528 -6.660 8.339 1.00 50.00 C ATOM 383 O THR A 52 -3.703 -6.964 8.297 1.00 50.00 O ATOM 384 CB THR A 52 -2.160 -5.616 10.594 1.00 0.00 C ATOM 385 OG1 THR A 52 -3.518 -5.836 10.950 1.00 0.00 O ATOM 386 CG2 THR A 52 -1.633 -4.379 11.320 1.00 0.00 C ATOM 0 H THR A 52 -3.949 -4.504 8.657 1.00 50.00 H new ATOM 0 HA THR A 52 -1.036 -5.209 8.761 1.00 50.00 H new ATOM 0 HB THR A 52 -1.564 -6.483 10.881 1.00 0.00 H new ATOM 0 HG1 THR A 52 -3.998 -6.220 10.187 1.00 0.00 H new ATOM 0 HG21 THR A 52 -1.706 -4.531 12.397 1.00 0.00 H new ATOM 0 HG22 THR A 52 -0.591 -4.213 11.046 1.00 0.00 H new ATOM 0 HG23 THR A 52 -2.226 -3.510 11.035 1.00 0.00 H new ATOM 394 N CYS A 53 -1.616 -7.394 7.762 1.00 50.00 N ATOM 395 CA CYS A 53 -2.011 -8.634 7.034 1.00 50.00 C ATOM 396 C CYS A 53 -2.874 -9.506 7.941 1.00 50.00 C ATOM 397 O CYS A 53 -3.923 -9.984 7.558 1.00 50.00 O ATOM 398 CB CYS A 53 -0.693 -9.339 6.717 1.00 0.00 C ATOM 399 SG CYS A 53 -0.985 -10.667 5.522 1.00 0.00 S ATOM 0 H CYS A 53 -0.617 -7.190 7.763 1.00 50.00 H new ATOM 0 HA CYS A 53 -2.589 -8.427 6.133 1.00 50.00 H new ATOM 0 HB2 CYS A 53 0.025 -8.625 6.314 1.00 0.00 H new ATOM 0 HB3 CYS A 53 -0.259 -9.747 7.630 1.00 0.00 H new ATOM 404 N GLY A 54 -2.431 -9.709 9.145 1.00 50.00 N ATOM 405 CA GLY A 54 -3.208 -10.544 10.102 1.00 50.00 C ATOM 406 C GLY A 54 -2.375 -10.757 11.364 1.00 50.00 C ATOM 407 O GLY A 54 -2.898 -10.894 12.453 1.00 50.00 O ATOM 0 H GLY A 54 -1.558 -9.331 9.513 1.00 50.00 H new ATOM 0 HA2 GLY A 54 -4.150 -10.055 10.350 1.00 50.00 H new ATOM 0 HA3 GLY A 54 -3.457 -11.503 9.649 1.00 50.00 H new ATOM 411 N LEU A 55 -1.079 -10.780 11.225 1.00 50.00 N ATOM 412 CA LEU A 55 -0.204 -10.976 12.413 1.00 50.00 C ATOM 413 C LEU A 55 0.797 -9.824 12.515 1.00 50.00 C ATOM 414 O LEU A 55 1.057 -9.140 11.546 1.00 50.00 O ATOM 415 CB LEU A 55 0.521 -12.297 12.159 1.00 0.00 C ATOM 416 CG LEU A 55 -0.502 -13.433 12.081 1.00 0.00 C ATOM 417 CD1 LEU A 55 0.219 -14.747 11.774 1.00 0.00 C ATOM 418 CD2 LEU A 55 -1.234 -13.551 13.420 1.00 0.00 C ATOM 0 H LEU A 55 -0.587 -10.671 10.338 1.00 50.00 H new ATOM 0 HA LEU A 55 -0.767 -10.997 13.346 1.00 50.00 H new ATOM 0 HB2 LEU A 55 1.089 -12.240 11.230 1.00 0.00 H new ATOM 0 HB3 LEU A 55 1.236 -12.491 12.958 1.00 0.00 H new ATOM 0 HG LEU A 55 -1.223 -13.222 11.291 1.00 0.00 H new ATOM 0 HD11 LEU A 55 -0.508 -15.557 11.718 1.00 0.00 H new ATOM 0 HD12 LEU A 55 0.741 -14.662 10.821 1.00 0.00 H new ATOM 0 HD13 LEU A 55 0.939 -14.960 12.564 1.00 0.00 H new ATOM 0 HD21 LEU A 55 -1.963 -14.360 13.366 1.00 0.00 H new ATOM 0 HD22 LEU A 55 -0.514 -13.763 14.211 1.00 0.00 H new ATOM 0 HD23 LEU A 55 -1.747 -12.614 13.638 1.00 0.00 H new ATOM 430 N PRO A 56 1.325 -9.649 13.694 1.00 50.00 N ATOM 431 CA PRO A 56 2.309 -8.566 13.934 1.00 50.00 C ATOM 432 C PRO A 56 3.643 -8.891 13.253 1.00 50.00 C ATOM 433 O PRO A 56 4.525 -8.060 13.169 1.00 50.00 O ATOM 434 CB PRO A 56 2.457 -8.549 15.453 1.00 0.00 C ATOM 435 CG PRO A 56 2.073 -9.927 15.892 1.00 0.00 C ATOM 436 CD PRO A 56 1.058 -10.436 14.902 1.00 0.00 C ATOM 0 HA PRO A 56 1.995 -7.603 13.532 1.00 50.00 H new ATOM 0 HB2 PRO A 56 3.479 -8.311 15.748 1.00 0.00 H new ATOM 0 HB3 PRO A 56 1.811 -7.796 15.905 1.00 0.00 H new ATOM 0 HG2 PRO A 56 2.945 -10.580 15.921 1.00 0.00 H new ATOM 0 HG3 PRO A 56 1.655 -9.909 16.899 1.00 0.00 H new ATOM 0 HD2 PRO A 56 1.178 -11.504 14.719 1.00 0.00 H new ATOM 0 HD3 PRO A 56 0.039 -10.287 15.260 1.00 0.00 H new ATOM 444 N GLY A 57 3.794 -10.091 12.761 1.00 50.00 N ATOM 445 CA GLY A 57 5.068 -10.461 12.082 1.00 50.00 C ATOM 446 C GLY A 57 5.127 -9.781 10.712 1.00 50.00 C ATOM 447 O GLY A 57 6.179 -9.390 10.247 1.00 50.00 O ATOM 0 H GLY A 57 3.092 -10.829 12.800 1.00 50.00 H new ATOM 0 HA2 GLY A 57 5.920 -10.155 12.690 1.00 50.00 H new ATOM 0 HA3 GLY A 57 5.131 -11.543 11.967 1.00 50.00 H new ATOM 451 N THR A 58 4.003 -9.635 10.064 1.00 50.00 N ATOM 452 CA THR A 58 3.992 -8.976 8.726 1.00 50.00 C ATOM 453 C THR A 58 2.895 -7.911 8.677 1.00 50.00 C ATOM 454 O THR A 58 2.049 -7.838 9.547 1.00 50.00 O ATOM 455 CB THR A 58 3.693 -10.097 7.730 1.00 0.00 C ATOM 456 OG1 THR A 58 4.588 -11.178 7.952 1.00 0.00 O ATOM 457 CG2 THR A 58 3.866 -9.572 6.304 1.00 0.00 C ATOM 0 H THR A 58 3.092 -9.943 10.403 1.00 50.00 H new ATOM 0 HA THR A 58 4.935 -8.477 8.503 1.00 50.00 H new ATOM 0 HB THR A 58 2.668 -10.442 7.866 1.00 0.00 H new ATOM 0 HG1 THR A 58 4.396 -11.898 7.315 1.00 0.00 H new ATOM 0 HG21 THR A 58 3.653 -10.371 5.594 1.00 0.00 H new ATOM 0 HG22 THR A 58 3.178 -8.744 6.135 1.00 0.00 H new ATOM 0 HG23 THR A 58 4.891 -9.227 6.165 1.00 0.00 H new ATOM 465 N LYS A 59 2.900 -7.087 7.667 1.00 50.00 N ATOM 466 CA LYS A 59 1.855 -6.031 7.566 1.00 50.00 C ATOM 467 C LYS A 59 1.165 -6.103 6.202 1.00 50.00 C ATOM 468 O LYS A 59 1.755 -6.501 5.217 1.00 50.00 O ATOM 469 CB LYS A 59 2.609 -4.711 7.726 1.00 0.00 C ATOM 470 CG LYS A 59 3.182 -4.626 9.143 1.00 0.00 C ATOM 471 CD LYS A 59 2.036 -4.542 10.154 1.00 0.00 C ATOM 472 CE LYS A 59 2.612 -4.462 11.571 1.00 0.00 C ATOM 473 NZ LYS A 59 3.191 -3.092 11.676 1.00 0.00 N ATOM 0 H LYS A 59 3.581 -7.099 6.908 1.00 50.00 H new ATOM 0 HA LYS A 59 1.075 -6.143 8.319 1.00 50.00 H new ATOM 0 HB2 LYS A 59 3.412 -4.646 6.992 1.00 0.00 H new ATOM 0 HB3 LYS A 59 1.939 -3.871 7.541 1.00 0.00 H new ATOM 0 HG2 LYS A 59 3.800 -5.500 9.350 1.00 0.00 H new ATOM 0 HG3 LYS A 59 3.826 -3.751 9.234 1.00 0.00 H new ATOM 0 HD2 LYS A 59 1.420 -3.666 9.950 1.00 0.00 H new ATOM 0 HD3 LYS A 59 1.390 -5.415 10.061 1.00 0.00 H new ATOM 0 HE2 LYS A 59 1.838 -4.622 12.321 1.00 0.00 H new ATOM 0 HE3 LYS A 59 3.373 -5.225 11.731 1.00 0.00 H new ATOM 0 HZ1 LYS A 59 3.247 -2.815 12.677 1.00 0.00 H new ATOM 0 HZ2 LYS A 59 4.144 -3.085 11.261 1.00 0.00 H new ATOM 0 HZ3 LYS A 59 2.586 -2.419 11.164 1.00 0.00 H new ATOM 487 N CYS A 60 -0.082 -5.729 6.138 1.00 50.00 N ATOM 488 CA CYS A 60 -0.808 -5.785 4.839 1.00 50.00 C ATOM 489 C CYS A 60 -0.387 -4.617 3.945 1.00 50.00 C ATOM 490 O CYS A 60 -0.388 -3.474 4.355 1.00 50.00 O ATOM 491 CB CYS A 60 -2.288 -5.677 5.207 1.00 0.00 C ATOM 492 SG CYS A 60 -3.271 -5.447 3.706 1.00 0.00 S ATOM 0 H CYS A 60 -0.629 -5.387 6.928 1.00 50.00 H new ATOM 0 HA CYS A 60 -0.593 -6.699 4.285 1.00 50.00 H new ATOM 0 HB2 CYS A 60 -2.610 -6.578 5.730 1.00 0.00 H new ATOM 0 HB3 CYS A 60 -2.444 -4.840 5.888 1.00 0.00 H new ATOM 497 N CYS A 61 -0.027 -4.901 2.725 1.00 50.00 N ATOM 498 CA CYS A 61 0.395 -3.813 1.799 1.00 50.00 C ATOM 499 C CYS A 61 -0.400 -3.899 0.493 1.00 50.00 C ATOM 500 O CYS A 61 -0.734 -4.970 0.029 1.00 50.00 O ATOM 501 CB CYS A 61 1.879 -4.072 1.542 1.00 0.00 C ATOM 502 SG CYS A 61 2.802 -3.882 3.087 1.00 0.00 S ATOM 0 H CYS A 61 -0.007 -5.840 2.328 1.00 50.00 H new ATOM 0 HA CYS A 61 0.220 -2.820 2.214 1.00 50.00 H new ATOM 0 HB2 CYS A 61 2.020 -5.077 1.143 1.00 0.00 H new ATOM 0 HB3 CYS A 61 2.256 -3.376 0.793 1.00 0.00 H new ATOM 507 N LYS A 62 -0.708 -2.779 -0.100 1.00 50.00 N ATOM 508 CA LYS A 62 -1.485 -2.801 -1.373 1.00 50.00 C ATOM 509 C LYS A 62 -0.732 -2.044 -2.469 1.00 50.00 C ATOM 510 O LYS A 62 -0.076 -1.054 -2.215 1.00 50.00 O ATOM 511 CB LYS A 62 -2.798 -2.095 -1.042 1.00 0.00 C ATOM 512 CG LYS A 62 -3.763 -2.226 -2.221 1.00 0.00 C ATOM 513 CD LYS A 62 -5.029 -1.415 -1.933 1.00 0.00 C ATOM 514 CE LYS A 62 -6.051 -1.650 -3.047 1.00 0.00 C ATOM 515 NZ LYS A 62 -7.238 -0.842 -2.649 1.00 0.00 N ATOM 0 H LYS A 62 -0.456 -1.851 0.240 1.00 50.00 H new ATOM 0 HA LYS A 62 -1.645 -3.814 -1.742 1.00 50.00 H new ATOM 0 HB2 LYS A 62 -3.241 -2.531 -0.146 1.00 0.00 H new ATOM 0 HB3 LYS A 62 -2.612 -1.043 -0.826 1.00 0.00 H new ATOM 0 HG2 LYS A 62 -3.289 -1.869 -3.135 1.00 0.00 H new ATOM 0 HG3 LYS A 62 -4.018 -3.273 -2.382 1.00 0.00 H new ATOM 0 HD2 LYS A 62 -5.450 -1.708 -0.971 1.00 0.00 H new ATOM 0 HD3 LYS A 62 -4.787 -0.354 -1.865 1.00 0.00 H new ATOM 0 HE2 LYS A 62 -5.662 -1.332 -4.014 1.00 0.00 H new ATOM 0 HE3 LYS A 62 -6.303 -2.707 -3.136 1.00 0.00 H new ATOM 0 HZ1 LYS A 62 -7.986 -0.949 -3.363 1.00 0.00 H new ATOM 0 HZ2 LYS A 62 -7.589 -1.172 -1.727 1.00 0.00 H new ATOM 0 HZ3 LYS A 62 -6.968 0.160 -2.578 1.00 0.00 H new ATOM 529 N LYS A 63 -0.825 -2.502 -3.686 1.00 50.00 N ATOM 530 CA LYS A 63 -0.119 -1.808 -4.799 1.00 50.00 C ATOM 531 C LYS A 63 -0.864 -0.524 -5.174 1.00 50.00 C ATOM 532 O LYS A 63 -2.014 -0.346 -4.821 1.00 50.00 O ATOM 533 CB LYS A 63 -0.140 -2.799 -5.961 1.00 0.00 C ATOM 534 CG LYS A 63 0.658 -4.048 -5.580 1.00 0.00 C ATOM 535 CD LYS A 63 0.489 -5.107 -6.670 1.00 0.00 C ATOM 536 CE LYS A 63 1.187 -6.399 -6.239 1.00 0.00 C ATOM 537 NZ LYS A 63 0.929 -7.356 -7.349 1.00 0.00 N ATOM 0 H LYS A 63 -1.359 -3.327 -3.958 1.00 50.00 H new ATOM 0 HA LYS A 63 0.897 -1.520 -4.529 1.00 50.00 H new ATOM 0 HB2 LYS A 63 -1.168 -3.071 -6.203 1.00 0.00 H new ATOM 0 HB3 LYS A 63 0.287 -2.340 -6.853 1.00 0.00 H new ATOM 0 HG2 LYS A 63 1.712 -3.798 -5.460 1.00 0.00 H new ATOM 0 HG3 LYS A 63 0.312 -4.437 -4.622 1.00 0.00 H new ATOM 0 HD2 LYS A 63 -0.570 -5.295 -6.848 1.00 0.00 H new ATOM 0 HD3 LYS A 63 0.911 -4.749 -7.609 1.00 0.00 H new ATOM 0 HE2 LYS A 63 2.256 -6.242 -6.092 1.00 0.00 H new ATOM 0 HE3 LYS A 63 0.787 -6.770 -5.295 1.00 0.00 H new ATOM 0 HZ1 LYS A 63 1.376 -8.269 -7.131 1.00 0.00 H new ATOM 0 HZ2 LYS A 63 -0.096 -7.490 -7.461 1.00 0.00 H new ATOM 0 HZ3 LYS A 63 1.327 -6.978 -8.232 1.00 0.00 H new