USER MOD reduce.3.24.130724 H: found=0, std=0, add=265, rem=0, adj=6 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 39: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= -1.27! C(o=-1.3!,f=-7.4!) USER MOD Single : A 47 TYR OH : rot 112:sc= -1.09 USER MOD Single : A 48 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 49 GLN : amide:sc= 0.0029 K(o=0.0029,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+ 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 -8.105 -10.292 6.593 1.00 50.00 N ATOM 34 CA THR A 30 -7.326 -11.023 5.552 1.00 50.00 C ATOM 35 C THR A 30 -7.195 -10.161 4.293 1.00 50.00 C ATOM 36 O THR A 30 -8.166 -9.868 3.625 1.00 50.00 O ATOM 37 CB THR A 30 -8.145 -12.281 5.258 1.00 0.00 C ATOM 38 OG1 THR A 30 -8.267 -13.051 6.444 1.00 0.00 O ATOM 39 CG2 THR A 30 -7.443 -13.107 4.180 1.00 0.00 C ATOM 0 HA THR A 30 -6.315 -11.263 5.881 1.00 50.00 H new ATOM 0 HB THR A 30 -9.137 -11.997 4.906 1.00 0.00 H new ATOM 0 HG1 THR A 30 -8.389 -12.453 7.211 1.00 0.00 H new ATOM 0 HG21 THR A 30 -8.027 -14.003 3.971 1.00 0.00 H new ATOM 0 HG22 THR A 30 -7.350 -12.514 3.270 1.00 0.00 H new ATOM 0 HG23 THR A 30 -6.451 -13.393 4.529 1.00 0.00 H new ATOM 47 N CYS A 31 -6.000 -9.753 3.966 1.00 50.00 N ATOM 48 CA CYS A 31 -5.803 -8.908 2.754 1.00 50.00 C ATOM 49 C CYS A 31 -5.879 -9.765 1.488 1.00 50.00 C ATOM 50 O CYS A 31 -5.871 -9.260 0.383 1.00 50.00 O ATOM 51 CB CYS A 31 -4.406 -8.312 2.917 1.00 0.00 C ATOM 52 SG CYS A 31 -4.350 -7.310 4.416 1.00 0.00 S ATOM 0 H CYS A 31 -5.150 -9.969 4.487 1.00 50.00 H new ATOM 0 HA CYS A 31 -6.569 -8.138 2.657 1.00 50.00 H new ATOM 0 HB2 CYS A 31 -3.664 -9.108 2.971 1.00 0.00 H new ATOM 0 HB3 CYS A 31 -4.156 -7.702 2.049 1.00 0.00 H new ATOM 57 N LEU A 32 -5.950 -11.059 1.639 1.00 50.00 N ATOM 58 CA LEU A 32 -6.024 -11.944 0.442 1.00 50.00 C ATOM 59 C LEU A 32 -7.332 -11.704 -0.315 1.00 50.00 C ATOM 60 O LEU A 32 -7.361 -11.664 -1.529 1.00 50.00 O ATOM 61 CB LEU A 32 -5.981 -13.367 0.999 1.00 0.00 C ATOM 62 CG LEU A 32 -5.969 -14.368 -0.159 1.00 0.00 C ATOM 63 CD1 LEU A 32 -4.739 -14.121 -1.034 1.00 0.00 C ATOM 64 CD2 LEU A 32 -5.921 -15.791 0.398 1.00 0.00 C ATOM 0 H LEU A 32 -5.960 -11.541 2.538 1.00 50.00 H new ATOM 0 HA LEU A 32 -5.212 -11.756 -0.261 1.00 50.00 H new ATOM 0 HB2 LEU A 32 -5.094 -13.500 1.618 1.00 0.00 H new ATOM 0 HB3 LEU A 32 -6.845 -13.545 1.639 1.00 0.00 H new ATOM 0 HG LEU A 32 -6.871 -14.242 -0.757 1.00 0.00 H new ATOM 0 HD11 LEU A 32 -4.730 -14.834 -1.859 1.00 0.00 H new ATOM 0 HD12 LEU A 32 -4.773 -13.107 -1.431 1.00 0.00 H new ATOM 0 HD13 LEU A 32 -3.836 -14.247 -0.436 1.00 0.00 H new ATOM 0 HD21 LEU A 32 -5.912 -16.504 -0.426 1.00 0.00 H new ATOM 0 HD22 LEU A 32 -5.019 -15.917 0.996 1.00 0.00 H new ATOM 0 HD23 LEU A 32 -6.798 -15.967 1.021 1.00 0.00 H new ATOM 76 N LYS A 33 -8.413 -11.542 0.394 1.00 50.00 N ATOM 77 CA LYS A 33 -9.722 -11.304 -0.280 1.00 50.00 C ATOM 78 C LYS A 33 -9.679 -9.998 -1.075 1.00 50.00 C ATOM 79 O LYS A 33 -10.130 -9.927 -2.201 1.00 50.00 O ATOM 80 CB LYS A 33 -10.741 -11.212 0.856 1.00 0.00 C ATOM 81 CG LYS A 33 -11.043 -12.615 1.385 1.00 0.00 C ATOM 82 CD LYS A 33 -12.110 -12.531 2.478 1.00 0.00 C ATOM 83 CE LYS A 33 -12.409 -13.936 3.007 1.00 0.00 C ATOM 84 NZ LYS A 33 -13.364 -13.726 4.132 1.00 0.00 N ATOM 0 H LYS A 33 -8.448 -11.564 1.413 1.00 50.00 H new ATOM 0 HA LYS A 33 -9.973 -12.094 -0.987 1.00 50.00 H new ATOM 0 HB2 LYS A 33 -10.352 -10.585 1.658 1.00 0.00 H new ATOM 0 HB3 LYS A 33 -11.657 -10.741 0.500 1.00 0.00 H new ATOM 0 HG2 LYS A 33 -11.389 -13.254 0.573 1.00 0.00 H new ATOM 0 HG3 LYS A 33 -10.135 -13.068 1.783 1.00 0.00 H new ATOM 0 HD2 LYS A 33 -11.765 -11.891 3.290 1.00 0.00 H new ATOM 0 HD3 LYS A 33 -13.019 -12.079 2.080 1.00 0.00 H new ATOM 0 HE2 LYS A 33 -12.844 -14.566 2.231 1.00 0.00 H new ATOM 0 HE3 LYS A 33 -11.500 -14.432 3.347 1.00 0.00 H new ATOM 0 HZ1 LYS A 33 -13.618 -14.645 4.548 1.00 0.00 H new ATOM 0 HZ2 LYS A 33 -12.919 -13.128 4.858 1.00 0.00 H new ATOM 0 HZ3 LYS A 33 -14.222 -13.258 3.776 1.00 0.00 H new ATOM 98 N SER A 34 -9.138 -8.966 -0.496 1.00 50.00 N ATOM 99 CA SER A 34 -9.060 -7.661 -1.215 1.00 50.00 C ATOM 100 C SER A 34 -8.124 -7.778 -2.418 1.00 50.00 C ATOM 101 O SER A 34 -8.323 -7.148 -3.438 1.00 50.00 O ATOM 102 CB SER A 34 -8.494 -6.677 -0.190 1.00 0.00 C ATOM 103 OG SER A 34 -9.456 -6.452 0.830 1.00 0.00 O ATOM 0 H SER A 34 -8.745 -8.967 0.445 1.00 50.00 H new ATOM 0 HA SER A 34 -10.030 -7.340 -1.596 1.00 50.00 H new ATOM 0 HB2 SER A 34 -7.575 -7.074 0.242 1.00 0.00 H new ATOM 0 HB3 SER A 34 -8.237 -5.736 -0.676 1.00 0.00 H new ATOM 0 HG SER A 34 -9.094 -5.823 1.488 1.00 0.00 H new ATOM 109 N GLY A 35 -7.104 -8.581 -2.303 1.00 50.00 N ATOM 110 CA GLY A 35 -6.149 -8.744 -3.436 1.00 50.00 C ATOM 111 C GLY A 35 -4.858 -7.983 -3.126 1.00 50.00 C ATOM 112 O GLY A 35 -3.992 -7.843 -3.967 1.00 50.00 O ATOM 0 H GLY A 35 -6.889 -9.133 -1.472 1.00 50.00 H new ATOM 0 HA2 GLY A 35 -5.932 -9.800 -3.594 1.00 50.00 H new ATOM 0 HA3 GLY A 35 -6.593 -8.368 -4.358 1.00 50.00 H new ATOM 116 N ALA A 36 -4.722 -7.490 -1.925 1.00 50.00 N ATOM 117 CA ALA A 36 -3.485 -6.739 -1.562 1.00 50.00 C ATOM 118 C ALA A 36 -2.493 -7.673 -0.862 1.00 50.00 C ATOM 119 O ALA A 36 -2.805 -8.290 0.137 1.00 50.00 O ATOM 120 CB ALA A 36 -3.955 -5.638 -0.611 1.00 0.00 C ATOM 0 H ALA A 36 -5.413 -7.574 -1.180 1.00 50.00 H new ATOM 0 HA ALA A 36 -2.975 -6.329 -2.434 1.00 50.00 H new ATOM 0 HB1 ALA A 36 -3.100 -5.039 -0.297 1.00 0.00 H new ATOM 0 HB2 ALA A 36 -4.677 -5.001 -1.121 1.00 0.00 H new ATOM 0 HB3 ALA A 36 -4.423 -6.089 0.264 1.00 0.00 H new ATOM 126 N ILE A 37 -1.302 -7.787 -1.381 1.00 50.00 N ATOM 127 CA ILE A 37 -0.295 -8.687 -0.748 1.00 50.00 C ATOM 128 C ILE A 37 0.202 -8.091 0.572 1.00 50.00 C ATOM 129 O ILE A 37 0.227 -6.889 0.751 1.00 50.00 O ATOM 130 CB ILE A 37 0.849 -8.773 -1.760 1.00 0.00 C ATOM 131 CG1 ILE A 37 1.483 -7.392 -1.933 1.00 0.00 C ATOM 132 CG2 ILE A 37 0.302 -9.255 -3.105 1.00 0.00 C ATOM 133 CD1 ILE A 37 3.007 -7.532 -1.987 1.00 0.00 C ATOM 0 H ILE A 37 -0.982 -7.296 -2.216 1.00 50.00 H new ATOM 0 HA ILE A 37 -0.711 -9.667 -0.514 1.00 50.00 H new ATOM 0 HB ILE A 37 1.601 -9.475 -1.400 1.00 0.00 H new ATOM 0 HG12 ILE A 37 1.118 -6.924 -2.847 1.00 0.00 H new ATOM 0 HG13 ILE A 37 1.196 -6.742 -1.106 1.00 0.00 H new ATOM 0 HG21 ILE A 37 1.116 -9.317 -3.828 1.00 0.00 H new ATOM 0 HG22 ILE A 37 -0.150 -10.239 -2.982 1.00 0.00 H new ATOM 0 HG23 ILE A 37 -0.450 -8.553 -3.465 1.00 0.00 H new ATOM 0 HD11 ILE A 37 3.459 -6.548 -2.110 1.00 0.00 H new ATOM 0 HD12 ILE A 37 3.364 -7.982 -1.061 1.00 0.00 H new ATOM 0 HD13 ILE A 37 3.284 -8.167 -2.829 1.00 0.00 H new ATOM 145 N CYS A 38 0.604 -8.921 1.497 1.00 50.00 N ATOM 146 CA CYS A 38 1.106 -8.397 2.800 1.00 50.00 C ATOM 147 C CYS A 38 2.619 -8.194 2.730 1.00 50.00 C ATOM 148 O CYS A 38 3.305 -8.834 1.959 1.00 50.00 O ATOM 149 CB CYS A 38 0.761 -9.473 3.831 1.00 0.00 C ATOM 150 SG CYS A 38 -0.970 -9.965 3.645 1.00 0.00 S ATOM 0 H CYS A 38 0.607 -9.937 1.407 1.00 50.00 H new ATOM 0 HA CYS A 38 0.660 -7.436 3.056 1.00 50.00 H new ATOM 0 HB2 CYS A 38 1.411 -10.338 3.699 1.00 0.00 H new ATOM 0 HB3 CYS A 38 0.935 -9.094 4.838 1.00 0.00 H new ATOM 155 N HIS A 39 3.149 -7.312 3.531 1.00 50.00 N ATOM 156 CA HIS A 39 4.624 -7.079 3.501 1.00 50.00 C ATOM 157 C HIS A 39 5.207 -7.142 4.914 1.00 50.00 C ATOM 158 O HIS A 39 4.608 -6.668 5.854 1.00 50.00 O ATOM 159 CB HIS A 39 4.800 -5.681 2.911 1.00 0.00 C ATOM 160 CG HIS A 39 6.251 -5.469 2.573 1.00 0.00 C ATOM 161 ND1 HIS A 39 7.190 -5.128 3.533 1.00 0.00 N ATOM 162 CD2 HIS A 39 6.938 -5.554 1.388 1.00 0.00 C ATOM 163 CE1 HIS A 39 8.380 -5.023 2.916 1.00 0.00 C ATOM 164 NE2 HIS A 39 8.284 -5.273 1.607 1.00 0.00 N ATOM 0 H HIS A 39 2.630 -6.745 4.202 1.00 50.00 H new ATOM 0 HA HIS A 39 5.142 -7.836 2.913 1.00 50.00 H new ATOM 0 HB2 HIS A 39 4.186 -5.570 2.018 1.00 0.00 H new ATOM 0 HB3 HIS A 39 4.466 -4.927 3.624 1.00 0.00 H new ATOM 0 HD1 HIS A 39 7.011 -4.983 4.527 1.00 0.00 H new ATOM 0 HD2 HIS A 39 6.501 -5.801 0.432 1.00 0.00 H new ATOM 0 HE1 HIS A 39 9.302 -4.768 3.418 1.00 0.00 H new ATOM 172 N PRO A 40 6.366 -7.731 5.011 1.00 50.00 N ATOM 173 CA PRO A 40 7.045 -7.867 6.323 1.00 50.00 C ATOM 174 C PRO A 40 7.549 -6.509 6.827 1.00 50.00 C ATOM 175 O PRO A 40 7.683 -5.564 6.075 1.00 50.00 O ATOM 176 CB PRO A 40 8.211 -8.806 6.025 1.00 0.00 C ATOM 177 CG PRO A 40 8.471 -8.643 4.560 1.00 0.00 C ATOM 178 CD PRO A 40 7.149 -8.320 3.918 1.00 0.00 C ATOM 0 HA PRO A 40 6.385 -8.244 7.104 1.00 50.00 H new ATOM 0 HB2 PRO A 40 9.090 -8.544 6.614 1.00 0.00 H new ATOM 0 HB3 PRO A 40 7.960 -9.838 6.269 1.00 0.00 H new ATOM 0 HG2 PRO A 40 9.193 -7.846 4.382 1.00 0.00 H new ATOM 0 HG3 PRO A 40 8.893 -9.555 4.138 1.00 0.00 H new ATOM 0 HD2 PRO A 40 7.266 -7.623 3.089 1.00 0.00 H new ATOM 0 HD3 PRO A 40 6.669 -9.213 3.518 1.00 0.00 H new ATOM 186 N VAL A 41 7.830 -6.415 8.099 1.00 50.00 N ATOM 187 CA VAL A 41 8.330 -5.131 8.675 1.00 50.00 C ATOM 188 C VAL A 41 7.340 -3.988 8.410 1.00 50.00 C ATOM 189 O VAL A 41 6.521 -3.665 9.247 1.00 50.00 O ATOM 190 CB VAL A 41 9.667 -4.874 7.979 1.00 0.00 C ATOM 191 CG1 VAL A 41 10.341 -3.652 8.604 1.00 0.00 C ATOM 192 CG2 VAL A 41 10.572 -6.096 8.152 1.00 0.00 C ATOM 0 H VAL A 41 7.734 -7.178 8.769 1.00 50.00 H new ATOM 0 HA VAL A 41 8.442 -5.187 9.758 1.00 50.00 H new ATOM 0 HB VAL A 41 9.496 -4.692 6.918 1.00 0.00 H new ATOM 0 HG11 VAL A 41 11.294 -3.469 8.108 1.00 0.00 H new ATOM 0 HG12 VAL A 41 9.697 -2.781 8.485 1.00 0.00 H new ATOM 0 HG13 VAL A 41 10.513 -3.834 9.665 1.00 0.00 H new ATOM 0 HG21 VAL A 41 11.526 -5.915 7.657 1.00 0.00 H new ATOM 0 HG22 VAL A 41 10.743 -6.275 9.214 1.00 0.00 H new ATOM 0 HG23 VAL A 41 10.093 -6.969 7.709 1.00 0.00 H new ATOM 202 N PHE A 42 7.406 -3.367 7.261 1.00 50.00 N ATOM 203 CA PHE A 42 6.467 -2.246 6.968 1.00 50.00 C ATOM 204 C PHE A 42 6.284 -2.082 5.455 1.00 50.00 C ATOM 205 O PHE A 42 7.115 -2.494 4.671 1.00 50.00 O ATOM 206 CB PHE A 42 7.138 -1.006 7.561 1.00 0.00 C ATOM 207 CG PHE A 42 8.401 -0.705 6.791 1.00 0.00 C ATOM 208 CD1 PHE A 42 8.321 -0.143 5.511 1.00 0.00 C ATOM 209 CD2 PHE A 42 9.650 -0.992 7.352 1.00 0.00 C ATOM 210 CE1 PHE A 42 9.490 0.132 4.794 1.00 0.00 C ATOM 211 CE2 PHE A 42 10.820 -0.716 6.636 1.00 0.00 C ATOM 212 CZ PHE A 42 10.740 -0.155 5.355 1.00 0.00 C ATOM 0 H PHE A 42 8.067 -3.587 6.516 1.00 50.00 H new ATOM 0 HA PHE A 42 5.476 -2.419 7.389 1.00 50.00 H new ATOM 0 HB2 PHE A 42 6.459 -0.154 7.516 1.00 0.00 H new ATOM 0 HB3 PHE A 42 7.371 -1.172 8.613 1.00 0.00 H new ATOM 0 HD1 PHE A 42 7.357 0.078 5.077 1.00 0.00 H new ATOM 0 HD2 PHE A 42 9.711 -1.427 8.339 1.00 0.00 H new ATOM 0 HE1 PHE A 42 9.428 0.566 3.807 1.00 0.00 H new ATOM 0 HE2 PHE A 42 11.784 -0.935 7.071 1.00 0.00 H new ATOM 0 HZ PHE A 42 11.642 0.056 4.800 1.00 0.00 H new ATOM 222 N CYS A 43 5.199 -1.481 5.042 1.00 50.00 N ATOM 223 CA CYS A 43 4.959 -1.286 3.582 1.00 50.00 C ATOM 224 C CYS A 43 5.908 -0.218 3.025 1.00 50.00 C ATOM 225 O CYS A 43 6.071 0.833 3.611 1.00 50.00 O ATOM 226 CB CYS A 43 3.506 -0.819 3.481 1.00 0.00 C ATOM 227 SG CYS A 43 2.761 -1.483 1.972 1.00 0.00 S ATOM 0 H CYS A 43 4.468 -1.117 5.653 1.00 50.00 H new ATOM 0 HA CYS A 43 5.137 -2.196 3.009 1.00 50.00 H new ATOM 0 HB2 CYS A 43 2.944 -1.153 4.354 1.00 0.00 H new ATOM 0 HB3 CYS A 43 3.463 0.270 3.472 1.00 0.00 H new ATOM 232 N PRO A 44 6.502 -0.526 1.903 1.00 50.00 N ATOM 233 CA PRO A 44 7.448 0.416 1.255 1.00 50.00 C ATOM 234 C PRO A 44 6.699 1.619 0.682 1.00 50.00 C ATOM 235 O PRO A 44 5.572 1.895 1.042 1.00 50.00 O ATOM 236 CB PRO A 44 8.077 -0.414 0.141 1.00 0.00 C ATOM 237 CG PRO A 44 7.071 -1.476 -0.156 1.00 0.00 C ATOM 238 CD PRO A 44 6.351 -1.768 1.135 1.00 0.00 C ATOM 0 HA PRO A 44 8.187 0.821 1.946 1.00 50.00 H new ATOM 0 HB2 PRO A 44 8.281 0.195 -0.740 1.00 0.00 H new ATOM 0 HB3 PRO A 44 9.027 -0.846 0.457 1.00 0.00 H new ATOM 0 HG2 PRO A 44 6.371 -1.142 -0.922 1.00 0.00 H new ATOM 0 HG3 PRO A 44 7.558 -2.373 -0.539 1.00 0.00 H new ATOM 0 HD2 PRO A 44 5.302 -2.008 0.963 1.00 0.00 H new ATOM 0 HD3 PRO A 44 6.791 -2.618 1.656 1.00 0.00 H new ATOM 246 N ARG A 45 7.324 2.335 -0.206 1.00 50.00 N ATOM 247 CA ARG A 45 6.661 3.529 -0.810 1.00 50.00 C ATOM 248 C ARG A 45 5.730 3.103 -1.946 1.00 50.00 C ATOM 249 O ARG A 45 4.668 3.663 -2.135 1.00 50.00 O ATOM 250 CB ARG A 45 7.808 4.386 -1.349 1.00 0.00 C ATOM 251 CG ARG A 45 7.239 5.600 -2.088 1.00 0.00 C ATOM 252 CD ARG A 45 6.658 6.592 -1.077 1.00 0.00 C ATOM 253 NE ARG A 45 6.070 7.681 -1.907 1.00 0.00 N ATOM 254 CZ ARG A 45 5.190 8.496 -1.389 1.00 0.00 C ATOM 255 NH1 ARG A 45 5.572 9.647 -0.909 1.00 0.00 N ATOM 256 NH2 ARG A 45 3.930 8.159 -1.353 1.00 0.00 N ATOM 0 H ARG A 45 8.268 2.148 -0.543 1.00 50.00 H new ATOM 0 HA ARG A 45 6.050 4.070 -0.088 1.00 50.00 H new ATOM 0 HB2 ARG A 45 8.447 4.714 -0.529 1.00 0.00 H new ATOM 0 HB3 ARG A 45 8.430 3.797 -2.022 1.00 0.00 H new ATOM 0 HG2 ARG A 45 8.022 6.080 -2.675 1.00 0.00 H new ATOM 0 HG3 ARG A 45 6.465 5.283 -2.787 1.00 0.00 H new ATOM 0 HD2 ARG A 45 5.902 6.120 -0.450 1.00 0.00 H new ATOM 0 HD3 ARG A 45 7.430 6.976 -0.411 1.00 0.00 H new ATOM 0 HE ARG A 45 6.355 7.790 -2.880 1.00 0.00 H new ATOM 0 HH11 ARG A 45 6.557 9.910 -0.938 1.00 0.00 H new ATOM 0 HH12 ARG A 45 4.886 10.284 -0.504 1.00 0.00 H new ATOM 0 HH21 ARG A 45 3.632 7.259 -1.729 1.00 0.00 H new ATOM 0 HH22 ARG A 45 3.243 8.795 -0.949 1.00 0.00 H new ATOM 270 N ARG A 46 6.120 2.115 -2.701 1.00 50.00 N ATOM 271 CA ARG A 46 5.259 1.650 -3.826 1.00 50.00 C ATOM 272 C ARG A 46 3.969 1.034 -3.283 1.00 50.00 C ATOM 273 O ARG A 46 2.936 1.067 -3.920 1.00 50.00 O ATOM 274 CB ARG A 46 6.087 0.587 -4.549 1.00 0.00 C ATOM 275 CG ARG A 46 7.280 1.241 -5.246 1.00 0.00 C ATOM 276 CD ARG A 46 8.193 0.152 -5.811 1.00 0.00 C ATOM 277 NE ARG A 46 9.259 0.884 -6.549 1.00 0.00 N ATOM 278 CZ ARG A 46 10.351 0.262 -6.902 1.00 0.00 C ATOM 279 NH1 ARG A 46 10.284 -0.780 -7.685 1.00 0.00 N ATOM 280 NH2 ARG A 46 11.509 0.680 -6.470 1.00 0.00 N ATOM 0 H ARG A 46 6.998 1.608 -2.589 1.00 50.00 H new ATOM 0 HA ARG A 46 4.973 2.467 -4.488 1.00 50.00 H new ATOM 0 HB2 ARG A 46 6.436 -0.161 -3.837 1.00 0.00 H new ATOM 0 HB3 ARG A 46 5.468 0.067 -5.280 1.00 0.00 H new ATOM 0 HG2 ARG A 46 6.935 1.894 -6.047 1.00 0.00 H new ATOM 0 HG3 ARG A 46 7.831 1.864 -4.542 1.00 0.00 H new ATOM 0 HD2 ARG A 46 8.615 -0.461 -5.015 1.00 0.00 H new ATOM 0 HD3 ARG A 46 7.644 -0.518 -6.473 1.00 0.00 H new ATOM 0 HE ARG A 46 9.136 1.870 -6.778 1.00 0.00 H new ATOM 0 HH11 ARG A 46 9.379 -1.108 -8.021 1.00 0.00 H new ATOM 0 HH12 ARG A 46 11.137 -1.266 -7.961 1.00 0.00 H new ATOM 0 HH21 ARG A 46 11.561 1.493 -5.856 1.00 0.00 H new ATOM 0 HH22 ARG A 46 12.362 0.194 -6.746 1.00 0.00 H new ATOM 294 N TYR A 47 4.024 0.463 -2.111 1.00 50.00 N ATOM 295 CA TYR A 47 2.803 -0.164 -1.530 1.00 50.00 C ATOM 296 C TYR A 47 2.296 0.640 -0.332 1.00 50.00 C ATOM 297 O TYR A 47 3.063 1.083 0.500 1.00 50.00 O ATOM 298 CB TYR A 47 3.252 -1.552 -1.072 1.00 0.00 C ATOM 299 CG TYR A 47 3.600 -2.397 -2.272 1.00 0.00 C ATOM 300 CD1 TYR A 47 4.793 -2.168 -2.966 1.00 0.00 C ATOM 301 CD2 TYR A 47 2.733 -3.415 -2.684 1.00 0.00 C ATOM 302 CE1 TYR A 47 5.117 -2.956 -4.076 1.00 0.00 C ATOM 303 CE2 TYR A 47 3.057 -4.203 -3.792 1.00 0.00 C ATOM 304 CZ TYR A 47 4.250 -3.974 -4.489 1.00 0.00 C ATOM 305 OH TYR A 47 4.570 -4.753 -5.583 1.00 0.00 O ATOM 0 H TYR A 47 4.861 0.403 -1.531 1.00 50.00 H new ATOM 0 HA TYR A 47 1.988 -0.204 -2.253 1.00 50.00 H new ATOM 0 HB2 TYR A 47 4.116 -1.466 -0.413 1.00 0.00 H new ATOM 0 HB3 TYR A 47 2.459 -2.030 -0.497 1.00 0.00 H new ATOM 0 HD1 TYR A 47 5.463 -1.384 -2.645 1.00 0.00 H new ATOM 0 HD2 TYR A 47 1.813 -3.592 -2.146 1.00 0.00 H new ATOM 0 HE1 TYR A 47 6.036 -2.779 -4.614 1.00 0.00 H new ATOM 0 HE2 TYR A 47 2.388 -4.988 -4.111 1.00 0.00 H new ATOM 0 HH TYR A 47 4.758 -5.669 -5.289 1.00 0.00 H new ATOM 315 N LYS A 48 1.007 0.814 -0.225 1.00 50.00 N ATOM 316 CA LYS A 48 0.453 1.568 0.934 1.00 50.00 C ATOM 317 C LYS A 48 0.148 0.591 2.071 1.00 50.00 C ATOM 318 O LYS A 48 -0.110 -0.575 1.844 1.00 50.00 O ATOM 319 CB LYS A 48 -0.835 2.210 0.422 1.00 0.00 C ATOM 320 CG LYS A 48 -1.417 3.125 1.502 1.00 0.00 C ATOM 321 CD LYS A 48 -2.856 3.493 1.136 1.00 0.00 C ATOM 322 CE LYS A 48 -3.472 4.334 2.257 1.00 0.00 C ATOM 323 NZ LYS A 48 -4.943 4.226 2.049 1.00 0.00 N ATOM 0 H LYS A 48 0.315 0.467 -0.889 1.00 50.00 H new ATOM 0 HA LYS A 48 1.146 2.317 1.317 1.00 50.00 H new ATOM 0 HB2 LYS A 48 -0.633 2.782 -0.484 1.00 0.00 H new ATOM 0 HB3 LYS A 48 -1.558 1.438 0.157 1.00 0.00 H new ATOM 0 HG2 LYS A 48 -1.393 2.624 2.470 1.00 0.00 H new ATOM 0 HG3 LYS A 48 -0.812 4.027 1.595 1.00 0.00 H new ATOM 0 HD2 LYS A 48 -2.873 4.050 0.199 1.00 0.00 H new ATOM 0 HD3 LYS A 48 -3.445 2.589 0.980 1.00 0.00 H new ATOM 0 HE2 LYS A 48 -3.183 3.958 3.238 1.00 0.00 H new ATOM 0 HE3 LYS A 48 -3.140 5.371 2.202 1.00 0.00 H new ATOM 0 HZ1 LYS A 48 -5.438 4.777 2.779 1.00 0.00 H new ATOM 0 HZ2 LYS A 48 -5.189 4.597 1.109 1.00 0.00 H new ATOM 0 HZ3 LYS A 48 -5.230 3.229 2.113 1.00 0.00 H new ATOM 337 N GLN A 49 0.176 1.047 3.289 1.00 50.00 N ATOM 338 CA GLN A 49 -0.112 0.129 4.427 1.00 50.00 C ATOM 339 C GLN A 49 -1.537 0.347 4.937 1.00 50.00 C ATOM 340 O GLN A 49 -1.803 1.257 5.696 1.00 50.00 O ATOM 341 CB GLN A 49 0.908 0.492 5.505 1.00 0.00 C ATOM 342 CG GLN A 49 0.939 -0.611 6.564 1.00 0.00 C ATOM 343 CD GLN A 49 1.977 -0.266 7.631 1.00 0.00 C ATOM 344 OE1 GLN A 49 3.142 -0.096 7.330 1.00 0.00 O ATOM 345 NE2 GLN A 49 1.602 -0.154 8.876 1.00 0.00 N ATOM 0 H GLN A 49 0.385 2.011 3.548 1.00 50.00 H new ATOM 0 HA GLN A 49 -0.037 -0.919 4.137 1.00 50.00 H new ATOM 0 HB2 GLN A 49 1.896 0.613 5.061 1.00 0.00 H new ATOM 0 HB3 GLN A 49 0.646 1.445 5.964 1.00 0.00 H new ATOM 0 HG2 GLN A 49 -0.045 -0.719 7.020 1.00 0.00 H new ATOM 0 HG3 GLN A 49 1.182 -1.567 6.101 1.00 0.00 H new ATOM 0 HE21 GLN A 49 0.624 -0.297 9.129 1.00 0.00 H new ATOM 0 HE22 GLN A 49 2.287 0.076 9.596 1.00 0.00 H new ATOM 354 N ILE A 50 -2.453 -0.486 4.525 1.00 50.00 N ATOM 355 CA ILE A 50 -3.861 -0.330 4.987 1.00 50.00 C ATOM 356 C ILE A 50 -3.943 -0.552 6.500 1.00 50.00 C ATOM 357 O ILE A 50 -4.796 -0.008 7.172 1.00 50.00 O ATOM 358 CB ILE A 50 -4.645 -1.410 4.242 1.00 0.00 C ATOM 359 CG1 ILE A 50 -4.622 -1.115 2.740 1.00 0.00 C ATOM 360 CG2 ILE A 50 -6.094 -1.420 4.737 1.00 0.00 C ATOM 361 CD1 ILE A 50 -5.214 -2.301 1.977 1.00 0.00 C ATOM 0 H ILE A 50 -2.288 -1.267 3.890 1.00 50.00 H new ATOM 0 HA ILE A 50 -4.255 0.667 4.788 1.00 50.00 H new ATOM 0 HB ILE A 50 -4.189 -2.383 4.428 1.00 0.00 H new ATOM 0 HG12 ILE A 50 -5.193 -0.211 2.528 1.00 0.00 H new ATOM 0 HG13 ILE A 50 -3.599 -0.931 2.411 1.00 0.00 H new ATOM 0 HG21 ILE A 50 -6.654 -2.190 4.206 1.00 0.00 H new ATOM 0 HG22 ILE A 50 -6.112 -1.630 5.806 1.00 0.00 H new ATOM 0 HG23 ILE A 50 -6.549 -0.447 4.551 1.00 0.00 H new ATOM 0 HD11 ILE A 50 -5.197 -2.091 0.908 1.00 0.00 H new ATOM 0 HD12 ILE A 50 -4.625 -3.195 2.180 1.00 0.00 H new ATOM 0 HD13 ILE A 50 -6.243 -2.464 2.299 1.00 0.00 H new ATOM 373 N GLY A 51 -3.059 -1.348 7.041 1.00 50.00 N ATOM 374 CA GLY A 51 -3.088 -1.602 8.509 1.00 50.00 C ATOM 375 C GLY A 51 -2.316 -2.886 8.822 1.00 50.00 C ATOM 376 O GLY A 51 -1.122 -2.865 9.045 1.00 50.00 O ATOM 0 H GLY A 51 -2.320 -1.832 6.530 1.00 50.00 H new ATOM 0 HA2 GLY A 51 -2.646 -0.761 9.043 1.00 50.00 H new ATOM 0 HA3 GLY A 51 -4.118 -1.692 8.853 1.00 50.00 H new ATOM 380 N THR A 52 -2.990 -4.003 8.845 1.00 50.00 N ATOM 381 CA THR A 52 -2.297 -5.289 9.145 1.00 50.00 C ATOM 382 C THR A 52 -2.924 -6.430 8.342 1.00 50.00 C ATOM 383 O THR A 52 -4.048 -6.336 7.887 1.00 50.00 O ATOM 384 CB THR A 52 -2.505 -5.510 10.645 1.00 0.00 C ATOM 385 OG1 THR A 52 -3.896 -5.572 10.924 1.00 0.00 O ATOM 386 CG2 THR A 52 -1.878 -4.353 11.425 1.00 0.00 C ATOM 0 H THR A 52 -3.992 -4.081 8.669 1.00 50.00 H new ATOM 0 HA THR A 52 -1.240 -5.260 8.879 1.00 50.00 H new ATOM 0 HB THR A 52 -2.032 -6.445 10.944 1.00 0.00 H new ATOM 0 HG1 THR A 52 -4.031 -5.715 11.884 1.00 0.00 H new ATOM 0 HG21 THR A 52 -2.027 -4.511 12.493 1.00 0.00 H new ATOM 0 HG22 THR A 52 -0.810 -4.306 11.210 1.00 0.00 H new ATOM 0 HG23 THR A 52 -2.350 -3.416 11.128 1.00 0.00 H new ATOM 394 N CYS A 53 -2.208 -7.506 8.162 1.00 50.00 N ATOM 395 CA CYS A 53 -2.764 -8.652 7.386 1.00 50.00 C ATOM 396 C CYS A 53 -3.175 -9.785 8.331 1.00 50.00 C ATOM 397 O CYS A 53 -3.900 -10.686 7.957 1.00 50.00 O ATOM 398 CB CYS A 53 -1.621 -9.104 6.477 1.00 0.00 C ATOM 399 SG CYS A 53 -1.989 -8.630 4.769 1.00 0.00 S ATOM 0 H CYS A 53 -1.262 -7.642 8.518 1.00 50.00 H new ATOM 0 HA CYS A 53 -3.653 -8.373 6.820 1.00 50.00 H new ATOM 0 HB2 CYS A 53 -0.684 -8.649 6.799 1.00 0.00 H new ATOM 0 HB3 CYS A 53 -1.491 -10.184 6.547 1.00 0.00 H new ATOM 404 N GLY A 54 -2.717 -9.747 9.551 1.00 50.00 N ATOM 405 CA GLY A 54 -3.080 -10.822 10.519 1.00 50.00 C ATOM 406 C GLY A 54 -2.102 -10.800 11.695 1.00 50.00 C ATOM 407 O GLY A 54 -2.491 -10.912 12.841 1.00 50.00 O ATOM 0 H GLY A 54 -2.107 -9.018 9.921 1.00 50.00 H new ATOM 0 HA2 GLY A 54 -4.099 -10.675 10.877 1.00 50.00 H new ATOM 0 HA3 GLY A 54 -3.052 -11.794 10.027 1.00 50.00 H new ATOM 411 N LEU A 55 -0.835 -10.656 11.421 1.00 50.00 N ATOM 412 CA LEU A 55 0.169 -10.625 12.523 1.00 50.00 C ATOM 413 C LEU A 55 0.980 -9.330 12.454 1.00 50.00 C ATOM 414 O LEU A 55 1.039 -8.690 11.423 1.00 50.00 O ATOM 415 CB LEU A 55 1.070 -11.835 12.275 1.00 0.00 C ATOM 416 CG LEU A 55 0.228 -13.112 12.302 1.00 0.00 C ATOM 417 CD1 LEU A 55 1.127 -14.321 12.034 1.00 0.00 C ATOM 418 CD2 LEU A 55 -0.430 -13.259 13.675 1.00 0.00 C ATOM 0 H LEU A 55 -0.451 -10.558 10.481 1.00 50.00 H new ATOM 0 HA LEU A 55 -0.296 -10.661 13.508 1.00 50.00 H new ATOM 0 HB2 LEU A 55 1.571 -11.737 11.312 1.00 0.00 H new ATOM 0 HB3 LEU A 55 1.849 -11.884 13.036 1.00 0.00 H new ATOM 0 HG LEU A 55 -0.543 -13.056 11.534 1.00 0.00 H new ATOM 0 HD11 LEU A 55 0.528 -15.231 12.053 1.00 0.00 H new ATOM 0 HD12 LEU A 55 1.596 -14.216 11.056 1.00 0.00 H new ATOM 0 HD13 LEU A 55 1.898 -14.378 12.802 1.00 0.00 H new ATOM 0 HD21 LEU A 55 -1.030 -14.169 13.695 1.00 0.00 H new ATOM 0 HD22 LEU A 55 0.341 -13.316 14.444 1.00 0.00 H new ATOM 0 HD23 LEU A 55 -1.070 -12.398 13.866 1.00 0.00 H new ATOM 430 N PRO A 56 1.578 -8.984 13.560 1.00 50.00 N ATOM 431 CA PRO A 56 2.394 -7.750 13.625 1.00 50.00 C ATOM 432 C PRO A 56 3.708 -7.939 12.863 1.00 50.00 C ATOM 433 O PRO A 56 4.383 -6.987 12.523 1.00 50.00 O ATOM 434 CB PRO A 56 2.653 -7.569 15.116 1.00 0.00 C ATOM 435 CG PRO A 56 2.530 -8.941 15.700 1.00 0.00 C ATOM 436 CD PRO A 56 1.553 -9.703 14.840 1.00 0.00 C ATOM 0 HA PRO A 56 1.903 -6.887 13.176 1.00 50.00 H new ATOM 0 HB2 PRO A 56 3.643 -7.151 15.297 1.00 0.00 H new ATOM 0 HB3 PRO A 56 1.931 -6.884 15.562 1.00 0.00 H new ATOM 0 HG2 PRO A 56 3.499 -9.440 15.718 1.00 0.00 H new ATOM 0 HG3 PRO A 56 2.178 -8.891 16.731 1.00 0.00 H new ATOM 0 HD2 PRO A 56 1.853 -10.744 14.720 1.00 0.00 H new ATOM 0 HD3 PRO A 56 0.554 -9.707 15.277 1.00 0.00 H new ATOM 444 N GLY A 57 4.074 -9.160 12.590 1.00 50.00 N ATOM 445 CA GLY A 57 5.343 -9.408 11.850 1.00 50.00 C ATOM 446 C GLY A 57 5.202 -8.902 10.412 1.00 50.00 C ATOM 447 O GLY A 57 6.148 -8.423 9.818 1.00 50.00 O ATOM 0 H GLY A 57 3.550 -9.997 12.847 1.00 50.00 H new ATOM 0 HA2 GLY A 57 6.171 -8.901 12.346 1.00 50.00 H new ATOM 0 HA3 GLY A 57 5.575 -10.473 11.851 1.00 50.00 H new ATOM 451 N THR A 58 4.028 -9.001 9.849 1.00 50.00 N ATOM 452 CA THR A 58 3.833 -8.521 8.451 1.00 50.00 C ATOM 453 C THR A 58 2.824 -7.372 8.418 1.00 50.00 C ATOM 454 O THR A 58 2.162 -7.080 9.394 1.00 50.00 O ATOM 455 CB THR A 58 3.290 -9.727 7.683 1.00 0.00 C ATOM 456 OG1 THR A 58 4.160 -10.836 7.866 1.00 0.00 O ATOM 457 CG2 THR A 58 3.203 -9.384 6.195 1.00 0.00 C ATOM 0 H THR A 58 3.198 -9.392 10.295 1.00 50.00 H new ATOM 0 HA THR A 58 4.759 -8.144 8.017 1.00 50.00 H new ATOM 0 HB THR A 58 2.298 -9.981 8.056 1.00 0.00 H new ATOM 0 HG1 THR A 58 3.812 -11.610 7.375 1.00 0.00 H new ATOM 0 HG21 THR A 58 2.816 -10.242 5.646 1.00 0.00 H new ATOM 0 HG22 THR A 58 2.536 -8.534 6.056 1.00 0.00 H new ATOM 0 HG23 THR A 58 4.195 -9.131 5.821 1.00 0.00 H new ATOM 465 N LYS A 59 2.702 -6.724 7.297 1.00 50.00 N ATOM 466 CA LYS A 59 1.739 -5.595 7.178 1.00 50.00 C ATOM 467 C LYS A 59 0.938 -5.740 5.885 1.00 50.00 C ATOM 468 O LYS A 59 1.372 -6.375 4.944 1.00 50.00 O ATOM 469 CB LYS A 59 2.608 -4.337 7.137 1.00 0.00 C ATOM 470 CG LYS A 59 3.346 -4.183 8.468 1.00 0.00 C ATOM 471 CD LYS A 59 2.359 -3.739 9.550 1.00 0.00 C ATOM 472 CE LYS A 59 3.112 -3.494 10.859 1.00 0.00 C ATOM 473 NZ LYS A 59 2.054 -3.130 11.844 1.00 0.00 N ATOM 0 H LYS A 59 3.232 -6.929 6.450 1.00 50.00 H new ATOM 0 HA LYS A 59 1.023 -5.563 8.000 1.00 50.00 H new ATOM 0 HB2 LYS A 59 3.324 -4.403 6.318 1.00 0.00 H new ATOM 0 HB3 LYS A 59 1.988 -3.460 6.949 1.00 0.00 H new ATOM 0 HG2 LYS A 59 3.810 -5.128 8.750 1.00 0.00 H new ATOM 0 HG3 LYS A 59 4.147 -3.451 8.369 1.00 0.00 H new ATOM 0 HD2 LYS A 59 1.846 -2.829 9.238 1.00 0.00 H new ATOM 0 HD3 LYS A 59 1.595 -4.502 9.695 1.00 0.00 H new ATOM 0 HE2 LYS A 59 3.657 -4.384 11.174 1.00 0.00 H new ATOM 0 HE3 LYS A 59 3.844 -2.694 10.751 1.00 0.00 H new ATOM 0 HZ1 LYS A 59 2.490 -2.946 12.770 1.00 0.00 H new ATOM 0 HZ2 LYS A 59 1.557 -2.276 11.520 1.00 0.00 H new ATOM 0 HZ3 LYS A 59 1.376 -3.914 11.930 1.00 0.00 H new ATOM 487 N CYS A 60 -0.229 -5.168 5.828 1.00 50.00 N ATOM 488 CA CYS A 60 -1.050 -5.290 4.591 1.00 50.00 C ATOM 489 C CYS A 60 -0.614 -4.247 3.559 1.00 50.00 C ATOM 490 O CYS A 60 -0.537 -3.068 3.845 1.00 50.00 O ATOM 491 CB CYS A 60 -2.487 -5.030 5.049 1.00 0.00 C ATOM 492 SG CYS A 60 -3.643 -5.543 3.761 1.00 0.00 S ATOM 0 H CYS A 60 -0.650 -4.623 6.580 1.00 50.00 H new ATOM 0 HA CYS A 60 -0.942 -6.265 4.115 1.00 50.00 H new ATOM 0 HB2 CYS A 60 -2.689 -5.577 5.970 1.00 0.00 H new ATOM 0 HB3 CYS A 60 -2.622 -3.971 5.270 1.00 0.00 H new ATOM 497 N CYS A 61 -0.330 -4.673 2.358 1.00 50.00 N ATOM 498 CA CYS A 61 0.100 -3.709 1.306 1.00 50.00 C ATOM 499 C CYS A 61 -0.767 -3.868 0.055 1.00 50.00 C ATOM 500 O CYS A 61 -1.204 -4.952 -0.277 1.00 50.00 O ATOM 501 CB CYS A 61 1.551 -4.077 0.998 1.00 0.00 C ATOM 502 SG CYS A 61 2.622 -3.467 2.323 1.00 0.00 S ATOM 0 H CYS A 61 -0.377 -5.647 2.060 1.00 50.00 H new ATOM 0 HA CYS A 61 0.002 -2.674 1.633 1.00 50.00 H new ATOM 0 HB2 CYS A 61 1.651 -5.158 0.904 1.00 0.00 H new ATOM 0 HB3 CYS A 61 1.852 -3.645 0.044 1.00 0.00 H new ATOM 507 N LYS A 62 -1.021 -2.794 -0.642 1.00 50.00 N ATOM 508 CA LYS A 62 -1.862 -2.886 -1.870 1.00 50.00 C ATOM 509 C LYS A 62 -1.161 -2.202 -3.047 1.00 50.00 C ATOM 510 O LYS A 62 -0.616 -1.125 -2.918 1.00 50.00 O ATOM 511 CB LYS A 62 -3.154 -2.152 -1.516 1.00 0.00 C ATOM 512 CG LYS A 62 -4.211 -2.430 -2.589 1.00 0.00 C ATOM 513 CD LYS A 62 -5.366 -1.440 -2.432 1.00 0.00 C ATOM 514 CE LYS A 62 -6.353 -1.615 -3.587 1.00 0.00 C ATOM 515 NZ LYS A 62 -7.442 -0.637 -3.310 1.00 0.00 N ATOM 0 H LYS A 62 -0.683 -1.859 -0.415 1.00 50.00 H new ATOM 0 HA LYS A 62 -2.046 -3.918 -2.169 1.00 50.00 H new ATOM 0 HB2 LYS A 62 -3.515 -2.480 -0.541 1.00 0.00 H new ATOM 0 HB3 LYS A 62 -2.968 -1.081 -1.443 1.00 0.00 H new ATOM 0 HG2 LYS A 62 -3.771 -2.338 -3.582 1.00 0.00 H new ATOM 0 HG3 LYS A 62 -4.578 -3.452 -2.497 1.00 0.00 H new ATOM 0 HD2 LYS A 62 -5.872 -1.604 -1.480 1.00 0.00 H new ATOM 0 HD3 LYS A 62 -4.984 -0.419 -2.418 1.00 0.00 H new ATOM 0 HE2 LYS A 62 -5.877 -1.416 -4.547 1.00 0.00 H new ATOM 0 HE3 LYS A 62 -6.738 -2.634 -3.627 1.00 0.00 H new ATOM 0 HZ1 LYS A 62 -8.160 -0.696 -4.060 1.00 0.00 H new ATOM 0 HZ2 LYS A 62 -7.880 -0.856 -2.393 1.00 0.00 H new ATOM 0 HZ3 LYS A 62 -7.047 0.325 -3.284 1.00 0.00 H new ATOM 529 N LYS A 63 -1.174 -2.821 -4.196 1.00 50.00 N ATOM 530 CA LYS A 63 -0.513 -2.207 -5.384 1.00 50.00 C ATOM 531 C LYS A 63 -1.421 -1.137 -5.992 1.00 50.00 C ATOM 532 O LYS A 63 -2.627 -1.285 -6.016 1.00 50.00 O ATOM 533 CB LYS A 63 -0.309 -3.361 -6.366 1.00 0.00 C ATOM 534 CG LYS A 63 0.735 -4.329 -5.805 1.00 0.00 C ATOM 535 CD LYS A 63 0.873 -5.526 -6.746 1.00 0.00 C ATOM 536 CE LYS A 63 1.891 -6.513 -6.168 1.00 0.00 C ATOM 537 NZ LYS A 63 1.817 -7.703 -7.060 1.00 0.00 N ATOM 0 H LYS A 63 -1.614 -3.726 -4.364 1.00 50.00 H new ATOM 0 HA LYS A 63 0.429 -1.720 -5.130 1.00 50.00 H new ATOM 0 HB2 LYS A 63 -1.252 -3.882 -6.532 1.00 0.00 H new ATOM 0 HB3 LYS A 63 0.018 -2.977 -7.332 1.00 0.00 H new ATOM 0 HG2 LYS A 63 1.695 -3.824 -5.698 1.00 0.00 H new ATOM 0 HG3 LYS A 63 0.439 -4.665 -4.811 1.00 0.00 H new ATOM 0 HD2 LYS A 63 -0.093 -6.015 -6.874 1.00 0.00 H new ATOM 0 HD3 LYS A 63 1.194 -5.192 -7.733 1.00 0.00 H new ATOM 0 HE2 LYS A 63 2.894 -6.087 -6.160 1.00 0.00 H new ATOM 0 HE3 LYS A 63 1.647 -6.775 -5.138 1.00 0.00 H new ATOM 0 HZ1 LYS A 63 2.487 -8.427 -6.730 1.00 0.00 H new ATOM 0 HZ2 LYS A 63 0.852 -8.091 -7.042 1.00 0.00 H new ATOM 0 HZ3 LYS A 63 2.060 -7.424 -8.032 1.00 0.00 H new