USER MOD reduce.3.24.130724 H: found=0, std=0, add=289, rem=0, adj=7 USER MOD reduce.3.24.130724 removed 290 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 180:sc= 0 USER MOD Single : A 33 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 34 SER OG : rot 180:sc= 0.00885 USER MOD Single : A 39 HIS : no HE2:sc= -7.89! C(o=-7.9!,f=-9.7!) 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= 0 X(o=0,f=0) 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+ 165:sc= -1.51 (180deg=-2.37) 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 1 N PRO A 28 -6.752 -9.367 13.565 1.00 50.00 N ATOM 2 CA PRO A 28 -6.293 -10.445 12.644 1.00 50.00 C ATOM 3 C PRO A 28 -7.280 -10.612 11.484 1.00 50.00 C ATOM 4 O PRO A 28 -8.408 -11.021 11.673 1.00 50.00 O ATOM 5 CB PRO A 28 -6.271 -11.691 13.524 1.00 0.00 C ATOM 6 CG PRO A 28 -7.250 -11.406 14.614 1.00 0.00 C ATOM 7 CD PRO A 28 -7.239 -9.917 14.835 1.00 0.00 C ATOM 0 HA PRO A 28 -5.324 -10.236 12.192 1.00 50.00 H new ATOM 0 HB2 PRO A 28 -6.555 -12.579 12.959 1.00 0.00 H new ATOM 0 HB3 PRO A 28 -5.274 -11.874 13.926 1.00 0.00 H new ATOM 0 HG2 PRO A 28 -8.247 -11.748 14.336 1.00 0.00 H new ATOM 0 HG3 PRO A 28 -6.975 -11.934 15.527 1.00 0.00 H new ATOM 0 HD2 PRO A 28 -8.234 -9.543 15.075 1.00 0.00 H new ATOM 0 HD3 PRO A 28 -6.587 -9.642 15.664 1.00 0.00 H new ATOM 17 N VAL A 29 -6.866 -10.300 10.286 1.00 50.00 N ATOM 18 CA VAL A 29 -7.787 -10.442 9.120 1.00 50.00 C ATOM 19 C VAL A 29 -7.019 -10.918 7.884 1.00 50.00 C ATOM 20 O VAL A 29 -5.806 -10.974 7.876 1.00 50.00 O ATOM 21 CB VAL A 29 -8.351 -9.042 8.888 1.00 0.00 C ATOM 22 CG1 VAL A 29 -9.417 -9.097 7.791 1.00 0.00 C ATOM 23 CG2 VAL A 29 -8.978 -8.523 10.183 1.00 0.00 C ATOM 0 H VAL A 29 -5.933 -9.954 10.064 1.00 50.00 H new ATOM 0 HA VAL A 29 -8.571 -11.176 9.306 1.00 50.00 H new ATOM 0 HB VAL A 29 -7.547 -8.373 8.581 1.00 0.00 H new ATOM 0 HG11 VAL A 29 -9.820 -8.098 7.625 1.00 0.00 H new ATOM 0 HG12 VAL A 29 -8.970 -9.466 6.868 1.00 0.00 H new ATOM 0 HG13 VAL A 29 -10.221 -9.766 8.098 1.00 0.00 H new ATOM 0 HG21 VAL A 29 -9.381 -7.524 10.017 1.00 0.00 H new ATOM 0 HG22 VAL A 29 -9.782 -9.191 10.491 1.00 0.00 H new ATOM 0 HG23 VAL A 29 -8.219 -8.483 10.964 1.00 0.00 H new ATOM 33 N THR A 30 -7.722 -11.253 6.834 1.00 50.00 N ATOM 34 CA THR A 30 -7.038 -11.717 5.594 1.00 50.00 C ATOM 35 C THR A 30 -7.166 -10.655 4.499 1.00 50.00 C ATOM 36 O THR A 30 -8.238 -10.402 3.985 1.00 50.00 O ATOM 37 CB THR A 30 -7.771 -12.998 5.191 1.00 0.00 C ATOM 38 OG1 THR A 30 -7.746 -13.914 6.277 1.00 0.00 O ATOM 39 CG2 THR A 30 -7.084 -13.623 3.975 1.00 0.00 C ATOM 0 H THR A 30 -8.740 -11.225 6.783 1.00 50.00 H new ATOM 0 HA THR A 30 -5.973 -11.892 5.747 1.00 50.00 H new ATOM 0 HB THR A 30 -8.804 -12.762 4.936 1.00 0.00 H new ATOM 0 HG1 THR A 30 -8.216 -14.735 6.023 1.00 0.00 H new ATOM 0 HG21 THR A 30 -7.608 -14.535 3.690 1.00 0.00 H new ATOM 0 HG22 THR A 30 -7.104 -12.918 3.144 1.00 0.00 H new ATOM 0 HG23 THR A 30 -6.050 -13.861 4.224 1.00 0.00 H new ATOM 47 N CYS A 31 -6.080 -10.027 4.143 1.00 50.00 N ATOM 48 CA CYS A 31 -6.137 -8.976 3.087 1.00 50.00 C ATOM 49 C CYS A 31 -6.160 -9.613 1.693 1.00 50.00 C ATOM 50 O CYS A 31 -6.356 -8.943 0.699 1.00 50.00 O ATOM 51 CB CYS A 31 -4.860 -8.159 3.286 1.00 0.00 C ATOM 52 SG CYS A 31 -4.944 -7.292 4.873 1.00 0.00 S ATOM 0 H CYS A 31 -5.155 -10.196 4.538 1.00 50.00 H new ATOM 0 HA CYS A 31 -7.035 -8.363 3.161 1.00 50.00 H new ATOM 0 HB2 CYS A 31 -3.989 -8.813 3.262 1.00 0.00 H new ATOM 0 HB3 CYS A 31 -4.743 -7.442 2.473 1.00 0.00 H new ATOM 57 N LEU A 32 -5.962 -10.902 1.611 1.00 50.00 N ATOM 58 CA LEU A 32 -5.972 -11.572 0.278 1.00 50.00 C ATOM 59 C LEU A 32 -7.312 -11.339 -0.426 1.00 50.00 C ATOM 60 O LEU A 32 -7.379 -11.237 -1.634 1.00 50.00 O ATOM 61 CB LEU A 32 -5.777 -13.059 0.579 1.00 0.00 C ATOM 62 CG LEU A 32 -4.353 -13.293 1.089 1.00 0.00 C ATOM 63 CD1 LEU A 32 -4.178 -14.765 1.466 1.00 0.00 C ATOM 64 CD2 LEU A 32 -3.352 -12.928 -0.009 1.00 0.00 C ATOM 0 H LEU A 32 -5.794 -11.518 2.407 1.00 50.00 H new ATOM 0 HA LEU A 32 -5.196 -11.184 -0.382 1.00 50.00 H new ATOM 0 HB2 LEU A 32 -6.501 -13.388 1.325 1.00 0.00 H new ATOM 0 HB3 LEU A 32 -5.955 -13.649 -0.320 1.00 0.00 H new ATOM 0 HG LEU A 32 -4.177 -12.670 1.966 1.00 0.00 H new ATOM 0 HD11 LEU A 32 -3.163 -14.930 1.829 1.00 0.00 H new ATOM 0 HD12 LEU A 32 -4.890 -15.027 2.248 1.00 0.00 H new ATOM 0 HD13 LEU A 32 -4.356 -15.389 0.590 1.00 0.00 H new ATOM 0 HD21 LEU A 32 -2.338 -13.094 0.353 1.00 0.00 H new ATOM 0 HD22 LEU A 32 -3.531 -13.550 -0.886 1.00 0.00 H new ATOM 0 HD23 LEU A 32 -3.474 -11.879 -0.278 1.00 0.00 H new ATOM 76 N LYS A 33 -8.377 -11.254 0.320 1.00 50.00 N ATOM 77 CA LYS A 33 -9.712 -11.028 -0.307 1.00 50.00 C ATOM 78 C LYS A 33 -9.775 -9.632 -0.928 1.00 50.00 C ATOM 79 O LYS A 33 -10.331 -9.436 -1.991 1.00 50.00 O ATOM 80 CB LYS A 33 -10.715 -11.151 0.839 1.00 0.00 C ATOM 81 CG LYS A 33 -10.796 -12.610 1.294 1.00 0.00 C ATOM 82 CD LYS A 33 -11.739 -12.716 2.493 1.00 0.00 C ATOM 83 CE LYS A 33 -11.773 -14.164 2.989 1.00 0.00 C ATOM 84 NZ LYS A 33 -12.847 -14.190 4.023 1.00 0.00 N ATOM 0 H LYS A 33 -8.383 -11.331 1.337 1.00 50.00 H new ATOM 0 HA LYS A 33 -9.918 -11.740 -1.106 1.00 50.00 H new ATOM 0 HB2 LYS A 33 -10.412 -10.516 1.671 1.00 0.00 H new ATOM 0 HB3 LYS A 33 -11.697 -10.805 0.516 1.00 0.00 H new ATOM 0 HG2 LYS A 33 -11.155 -13.238 0.478 1.00 0.00 H new ATOM 0 HG3 LYS A 33 -9.805 -12.974 1.564 1.00 0.00 H new ATOM 0 HD2 LYS A 33 -11.404 -12.054 3.292 1.00 0.00 H new ATOM 0 HD3 LYS A 33 -12.741 -12.393 2.211 1.00 0.00 H new ATOM 0 HE2 LYS A 33 -11.991 -14.855 2.175 1.00 0.00 H new ATOM 0 HE3 LYS A 33 -10.812 -14.460 3.410 1.00 0.00 H new ATOM 0 HZ1 LYS A 33 -12.932 -15.151 4.411 1.00 0.00 H new ATOM 0 HZ2 LYS A 33 -12.609 -13.527 4.788 1.00 0.00 H new ATOM 0 HZ3 LYS A 33 -13.751 -13.910 3.592 1.00 0.00 H new ATOM 98 N SER A 34 -9.207 -8.660 -0.272 1.00 50.00 N ATOM 99 CA SER A 34 -9.229 -7.274 -0.822 1.00 50.00 C ATOM 100 C SER A 34 -8.421 -7.209 -2.121 1.00 50.00 C ATOM 101 O SER A 34 -8.723 -6.445 -3.014 1.00 50.00 O ATOM 102 CB SER A 34 -8.582 -6.409 0.260 1.00 0.00 C ATOM 103 OG SER A 34 -9.198 -6.676 1.513 1.00 0.00 O ATOM 0 H SER A 34 -8.728 -8.764 0.622 1.00 50.00 H new ATOM 0 HA SER A 34 -10.238 -6.938 -1.060 1.00 50.00 H new ATOM 0 HB2 SER A 34 -7.514 -6.618 0.316 1.00 0.00 H new ATOM 0 HB3 SER A 34 -8.688 -5.354 0.008 1.00 0.00 H new ATOM 0 HG SER A 34 -8.782 -6.123 2.207 1.00 0.00 H new ATOM 109 N GLY A 35 -7.397 -8.010 -2.230 1.00 50.00 N ATOM 110 CA GLY A 35 -6.572 -7.997 -3.471 1.00 50.00 C ATOM 111 C GLY A 35 -5.229 -7.322 -3.190 1.00 50.00 C ATOM 112 O GLY A 35 -4.509 -6.950 -4.095 1.00 50.00 O ATOM 0 H GLY A 35 -7.096 -8.672 -1.515 1.00 50.00 H new ATOM 0 HA2 GLY A 35 -6.411 -9.016 -3.823 1.00 50.00 H new ATOM 0 HA3 GLY A 35 -7.098 -7.465 -4.264 1.00 50.00 H new ATOM 116 N ALA A 36 -4.883 -7.162 -1.943 1.00 50.00 N ATOM 117 CA ALA A 36 -3.584 -6.511 -1.609 1.00 50.00 C ATOM 118 C ALA A 36 -2.708 -7.468 -0.797 1.00 50.00 C ATOM 119 O ALA A 36 -3.120 -7.990 0.220 1.00 50.00 O ATOM 120 CB ALA A 36 -3.953 -5.285 -0.774 1.00 0.00 C ATOM 0 H ALA A 36 -5.442 -7.453 -1.141 1.00 50.00 H new ATOM 0 HA ALA A 36 -3.019 -6.239 -2.501 1.00 50.00 H new ATOM 0 HB1 ALA A 36 -3.046 -4.752 -0.489 1.00 0.00 H new ATOM 0 HB2 ALA A 36 -4.593 -4.625 -1.360 1.00 0.00 H new ATOM 0 HB3 ALA A 36 -4.484 -5.602 0.123 1.00 0.00 H new ATOM 126 N ILE A 37 -1.502 -7.699 -1.236 1.00 50.00 N ATOM 127 CA ILE A 37 -0.604 -8.619 -0.485 1.00 50.00 C ATOM 128 C ILE A 37 0.093 -7.862 0.645 1.00 50.00 C ATOM 129 O ILE A 37 0.432 -6.702 0.513 1.00 50.00 O ATOM 130 CB ILE A 37 0.419 -9.107 -1.511 1.00 0.00 C ATOM 131 CG1 ILE A 37 1.194 -7.912 -2.067 1.00 0.00 C ATOM 132 CG2 ILE A 37 -0.303 -9.821 -2.654 1.00 0.00 C ATOM 133 CD1 ILE A 37 2.696 -8.162 -1.914 1.00 0.00 C ATOM 0 H ILE A 37 -1.100 -7.291 -2.080 1.00 50.00 H new ATOM 0 HA ILE A 37 -1.148 -9.447 -0.030 1.00 50.00 H new ATOM 0 HB ILE A 37 1.111 -9.799 -1.031 1.00 0.00 H new ATOM 0 HG12 ILE A 37 0.945 -7.760 -3.117 1.00 0.00 H new ATOM 0 HG13 ILE A 37 0.910 -7.003 -1.537 1.00 0.00 H new ATOM 0 HG21 ILE A 37 0.427 -10.168 -3.385 1.00 0.00 H new ATOM 0 HG22 ILE A 37 -0.855 -10.674 -2.259 1.00 0.00 H new ATOM 0 HG23 ILE A 37 -0.996 -9.130 -3.134 1.00 0.00 H new ATOM 0 HD11 ILE A 37 3.249 -7.310 -2.310 1.00 0.00 H new ATOM 0 HD12 ILE A 37 2.938 -8.292 -0.859 1.00 0.00 H new ATOM 0 HD13 ILE A 37 2.973 -9.062 -2.463 1.00 0.00 H new ATOM 145 N CYS A 38 0.311 -8.506 1.755 1.00 50.00 N ATOM 146 CA CYS A 38 0.986 -7.820 2.892 1.00 50.00 C ATOM 147 C CYS A 38 2.506 -7.959 2.773 1.00 50.00 C ATOM 148 O CYS A 38 3.010 -8.831 2.094 1.00 50.00 O ATOM 149 CB CYS A 38 0.475 -8.523 4.151 1.00 0.00 C ATOM 150 SG CYS A 38 0.797 -10.300 4.044 1.00 0.00 S ATOM 0 H CYS A 38 0.052 -9.478 1.926 1.00 50.00 H new ATOM 0 HA CYS A 38 0.769 -6.752 2.911 1.00 50.00 H new ATOM 0 HB2 CYS A 38 0.965 -8.109 5.032 1.00 0.00 H new ATOM 0 HB3 CYS A 38 -0.594 -8.346 4.268 1.00 0.00 H new ATOM 155 N HIS A 39 3.237 -7.101 3.430 1.00 50.00 N ATOM 156 CA HIS A 39 4.729 -7.180 3.359 1.00 50.00 C ATOM 157 C HIS A 39 5.329 -7.125 4.769 1.00 50.00 C ATOM 158 O HIS A 39 4.644 -6.818 5.721 1.00 50.00 O ATOM 159 CB HIS A 39 5.159 -5.961 2.539 1.00 0.00 C ATOM 160 CG HIS A 39 4.997 -6.261 1.074 1.00 0.00 C ATOM 161 ND1 HIS A 39 5.619 -7.342 0.467 1.00 0.00 N ATOM 162 CD2 HIS A 39 4.289 -5.631 0.081 1.00 0.00 C ATOM 163 CE1 HIS A 39 5.275 -7.329 -0.834 1.00 0.00 C ATOM 164 NE2 HIS A 39 4.466 -6.307 -1.122 1.00 0.00 N ATOM 0 H HIS A 39 2.869 -6.349 4.013 1.00 50.00 H new ATOM 0 HA HIS A 39 5.071 -8.110 2.906 1.00 50.00 H new ATOM 0 HB2 HIS A 39 4.557 -5.094 2.813 1.00 0.00 H new ATOM 0 HB3 HIS A 39 6.197 -5.710 2.757 1.00 0.00 H new ATOM 0 HD1 HIS A 39 6.226 -8.023 0.923 1.00 0.00 H new ATOM 0 HD2 HIS A 39 3.686 -4.745 0.214 1.00 0.00 H new ATOM 0 HE1 HIS A 39 5.612 -8.057 -1.557 1.00 0.00 H new ATOM 172 N PRO A 40 6.595 -7.431 4.856 1.00 50.00 N ATOM 173 CA PRO A 40 7.292 -7.424 6.168 1.00 50.00 C ATOM 174 C PRO A 40 7.459 -5.992 6.686 1.00 50.00 C ATOM 175 O PRO A 40 7.366 -5.036 5.942 1.00 50.00 O ATOM 176 CB PRO A 40 8.644 -8.059 5.859 1.00 0.00 C ATOM 177 CG PRO A 40 8.856 -7.820 4.399 1.00 0.00 C ATOM 178 CD PRO A 40 7.492 -7.807 3.757 1.00 0.00 C ATOM 0 HA PRO A 40 6.745 -7.958 6.945 1.00 50.00 H new ATOM 0 HB2 PRO A 40 9.438 -7.606 6.453 1.00 0.00 H new ATOM 0 HB3 PRO A 40 8.642 -9.125 6.089 1.00 0.00 H new ATOM 0 HG2 PRO A 40 9.370 -6.873 4.233 1.00 0.00 H new ATOM 0 HG3 PRO A 40 9.480 -8.602 3.966 1.00 0.00 H new ATOM 0 HD2 PRO A 40 7.442 -7.091 2.937 1.00 0.00 H new ATOM 0 HD3 PRO A 40 7.234 -8.783 3.345 1.00 0.00 H new ATOM 186 N VAL A 41 7.700 -5.839 7.960 1.00 50.00 N ATOM 187 CA VAL A 41 7.866 -4.471 8.530 1.00 50.00 C ATOM 188 C VAL A 41 6.629 -3.618 8.210 1.00 50.00 C ATOM 189 O VAL A 41 5.554 -3.874 8.710 1.00 50.00 O ATOM 190 CB VAL A 41 9.128 -3.917 7.862 1.00 0.00 C ATOM 191 CG1 VAL A 41 9.579 -2.651 8.593 1.00 0.00 C ATOM 192 CG2 VAL A 41 10.240 -4.965 7.928 1.00 0.00 C ATOM 0 H VAL A 41 7.789 -6.602 8.631 1.00 50.00 H new ATOM 0 HA VAL A 41 7.964 -4.471 9.616 1.00 50.00 H new ATOM 0 HB VAL A 41 8.913 -3.678 6.820 1.00 0.00 H new ATOM 0 HG11 VAL A 41 10.477 -2.257 8.118 1.00 0.00 H new ATOM 0 HG12 VAL A 41 8.787 -1.903 8.549 1.00 0.00 H new ATOM 0 HG13 VAL A 41 9.795 -2.890 9.634 1.00 0.00 H new ATOM 0 HG21 VAL A 41 11.139 -4.572 7.453 1.00 0.00 H new ATOM 0 HG22 VAL A 41 10.455 -5.203 8.970 1.00 0.00 H new ATOM 0 HG23 VAL A 41 9.920 -5.868 7.408 1.00 0.00 H new ATOM 202 N PHE A 42 6.758 -2.612 7.382 1.00 50.00 N ATOM 203 CA PHE A 42 5.572 -1.769 7.048 1.00 50.00 C ATOM 204 C PHE A 42 5.521 -1.513 5.540 1.00 50.00 C ATOM 205 O PHE A 42 6.524 -1.576 4.857 1.00 50.00 O ATOM 206 CB PHE A 42 5.789 -0.460 7.806 1.00 0.00 C ATOM 207 CG PHE A 42 6.991 0.253 7.238 1.00 0.00 C ATOM 208 CD1 PHE A 42 6.840 1.137 6.163 1.00 0.00 C ATOM 209 CD2 PHE A 42 8.258 0.026 7.784 1.00 0.00 C ATOM 210 CE1 PHE A 42 7.957 1.796 5.637 1.00 0.00 C ATOM 211 CE2 PHE A 42 9.375 0.684 7.259 1.00 0.00 C ATOM 212 CZ PHE A 42 9.226 1.568 6.185 1.00 0.00 C ATOM 0 H PHE A 42 7.629 -2.340 6.926 1.00 50.00 H new ATOM 0 HA PHE A 42 4.632 -2.247 7.324 1.00 50.00 H new ATOM 0 HB2 PHE A 42 4.905 0.172 7.724 1.00 0.00 H new ATOM 0 HB3 PHE A 42 5.939 -0.661 8.867 1.00 0.00 H new ATOM 0 HD1 PHE A 42 5.862 1.310 5.740 1.00 0.00 H new ATOM 0 HD2 PHE A 42 8.374 -0.658 8.612 1.00 0.00 H new ATOM 0 HE1 PHE A 42 7.841 2.480 4.809 1.00 0.00 H new ATOM 0 HE2 PHE A 42 10.353 0.510 7.683 1.00 0.00 H new ATOM 0 HZ PHE A 42 10.089 2.074 5.778 1.00 0.00 H new ATOM 222 N CYS A 43 4.363 -1.224 5.013 1.00 50.00 N ATOM 223 CA CYS A 43 4.259 -0.967 3.548 1.00 50.00 C ATOM 224 C CYS A 43 5.159 0.210 3.156 1.00 50.00 C ATOM 225 O CYS A 43 5.119 1.254 3.776 1.00 50.00 O ATOM 226 CB CYS A 43 2.790 -0.619 3.305 1.00 0.00 C ATOM 227 SG CYS A 43 1.758 -2.055 3.692 1.00 0.00 S ATOM 0 H CYS A 43 3.487 -1.155 5.531 1.00 50.00 H new ATOM 0 HA CYS A 43 4.576 -1.825 2.956 1.00 50.00 H new ATOM 0 HB2 CYS A 43 2.499 0.229 3.925 1.00 0.00 H new ATOM 0 HB3 CYS A 43 2.643 -0.321 2.267 1.00 0.00 H new ATOM 232 N PRO A 44 5.945 -0.003 2.136 1.00 50.00 N ATOM 233 CA PRO A 44 6.872 1.051 1.653 1.00 50.00 C ATOM 234 C PRO A 44 6.095 2.185 0.982 1.00 50.00 C ATOM 235 O PRO A 44 4.902 2.331 1.162 1.00 50.00 O ATOM 236 CB PRO A 44 7.750 0.321 0.641 1.00 0.00 C ATOM 237 CG PRO A 44 6.918 -0.831 0.179 1.00 0.00 C ATOM 238 CD PRO A 44 6.047 -1.231 1.340 1.00 0.00 C ATOM 0 HA PRO A 44 7.447 1.513 2.455 1.00 50.00 H new ATOM 0 HB2 PRO A 44 8.022 0.972 -0.190 1.00 0.00 H new ATOM 0 HB3 PRO A 44 8.680 -0.019 1.096 1.00 0.00 H new ATOM 0 HG2 PRO A 44 6.311 -0.549 -0.681 1.00 0.00 H new ATOM 0 HG3 PRO A 44 7.549 -1.662 -0.135 1.00 0.00 H new ATOM 0 HD2 PRO A 44 5.068 -1.575 1.007 1.00 0.00 H new ATOM 0 HD3 PRO A 44 6.492 -2.044 1.913 1.00 0.00 H new ATOM 246 N ARG A 45 6.770 2.990 0.215 1.00 50.00 N ATOM 247 CA ARG A 45 6.084 4.127 -0.469 1.00 50.00 C ATOM 248 C ARG A 45 5.324 3.629 -1.700 1.00 50.00 C ATOM 249 O ARG A 45 4.323 4.193 -2.095 1.00 50.00 O ATOM 250 CB ARG A 45 7.208 5.076 -0.886 1.00 0.00 C ATOM 251 CG ARG A 45 8.083 4.393 -1.940 1.00 0.00 C ATOM 252 CD ARG A 45 9.253 5.309 -2.307 1.00 0.00 C ATOM 253 NE ARG A 45 10.069 4.513 -3.267 1.00 0.00 N ATOM 254 CZ ARG A 45 11.200 4.986 -3.714 1.00 0.00 C ATOM 255 NH1 ARG A 45 11.295 5.392 -4.950 1.00 0.00 N ATOM 256 NH2 ARG A 45 12.238 5.050 -2.925 1.00 0.00 N ATOM 0 H ARG A 45 7.770 2.913 0.029 1.00 50.00 H new ATOM 0 HA ARG A 45 5.355 4.614 0.178 1.00 50.00 H new ATOM 0 HB2 ARG A 45 6.790 5.999 -1.287 1.00 0.00 H new ATOM 0 HB3 ARG A 45 7.809 5.349 -0.019 1.00 0.00 H new ATOM 0 HG2 ARG A 45 8.457 3.444 -1.557 1.00 0.00 H new ATOM 0 HG3 ARG A 45 7.492 4.168 -2.828 1.00 0.00 H new ATOM 0 HD2 ARG A 45 8.903 6.237 -2.759 1.00 0.00 H new ATOM 0 HD3 ARG A 45 9.833 5.583 -1.426 1.00 0.00 H new ATOM 0 HE ARG A 45 9.743 3.597 -3.575 1.00 0.00 H new ATOM 0 HH11 ARG A 45 10.485 5.340 -5.568 1.00 0.00 H new ATOM 0 HH12 ARG A 45 12.179 5.762 -5.299 1.00 0.00 H new ATOM 0 HH21 ARG A 45 12.165 4.730 -1.959 1.00 0.00 H new ATOM 0 HH22 ARG A 45 13.122 5.420 -3.274 1.00 0.00 H new ATOM 270 N ARG A 46 5.794 2.578 -2.312 1.00 50.00 N ATOM 271 CA ARG A 46 5.098 2.049 -3.518 1.00 50.00 C ATOM 272 C ARG A 46 3.787 1.370 -3.115 1.00 50.00 C ATOM 273 O ARG A 46 2.957 1.061 -3.947 1.00 50.00 O ATOM 274 CB ARG A 46 6.066 1.030 -4.120 1.00 0.00 C ATOM 275 CG ARG A 46 7.333 1.745 -4.593 1.00 0.00 C ATOM 276 CD ARG A 46 8.302 0.722 -5.188 1.00 0.00 C ATOM 277 NE ARG A 46 8.663 -0.167 -4.048 1.00 0.00 N ATOM 278 CZ ARG A 46 9.207 -1.332 -4.275 1.00 0.00 C ATOM 279 NH1 ARG A 46 10.009 -1.489 -5.291 1.00 0.00 N ATOM 280 NH2 ARG A 46 8.949 -2.339 -3.485 1.00 0.00 N ATOM 0 H ARG A 46 6.628 2.063 -2.030 1.00 50.00 H new ATOM 0 HA ARG A 46 4.844 2.837 -4.227 1.00 50.00 H new ATOM 0 HB2 ARG A 46 6.319 0.272 -3.379 1.00 0.00 H new ATOM 0 HB3 ARG A 46 5.594 0.514 -4.956 1.00 0.00 H new ATOM 0 HG2 ARG A 46 7.081 2.500 -5.338 1.00 0.00 H new ATOM 0 HG3 ARG A 46 7.803 2.265 -3.759 1.00 0.00 H new ATOM 0 HD2 ARG A 46 7.836 0.159 -5.997 1.00 0.00 H new ATOM 0 HD3 ARG A 46 9.184 1.208 -5.605 1.00 0.00 H new ATOM 0 HE ARG A 46 8.485 0.135 -3.090 1.00 0.00 H new ATOM 0 HH11 ARG A 46 10.211 -0.702 -5.908 1.00 0.00 H new ATOM 0 HH12 ARG A 46 10.434 -2.399 -5.469 1.00 0.00 H new ATOM 0 HH21 ARG A 46 8.322 -2.216 -2.690 1.00 0.00 H new ATOM 0 HH22 ARG A 46 9.374 -3.249 -3.663 1.00 0.00 H new ATOM 294 N TYR A 47 3.597 1.129 -1.847 1.00 50.00 N ATOM 295 CA TYR A 47 2.342 0.462 -1.400 1.00 50.00 C ATOM 296 C TYR A 47 1.706 1.214 -0.228 1.00 50.00 C ATOM 297 O TYR A 47 2.327 2.038 0.413 1.00 50.00 O ATOM 298 CB TYR A 47 2.775 -0.928 -0.939 1.00 0.00 C ATOM 299 CG TYR A 47 3.232 -1.752 -2.118 1.00 0.00 C ATOM 300 CD1 TYR A 47 4.459 -1.481 -2.733 1.00 0.00 C ATOM 301 CD2 TYR A 47 2.428 -2.797 -2.588 1.00 0.00 C ATOM 302 CE1 TYR A 47 4.882 -2.254 -3.821 1.00 0.00 C ATOM 303 CE2 TYR A 47 2.849 -3.569 -3.675 1.00 0.00 C ATOM 304 CZ TYR A 47 4.077 -3.298 -4.292 1.00 0.00 C ATOM 305 OH TYR A 47 4.494 -4.061 -5.364 1.00 0.00 O ATOM 0 H TYR A 47 4.254 1.364 -1.103 1.00 50.00 H new ATOM 0 HA TYR A 47 1.602 0.432 -2.200 1.00 50.00 H new ATOM 0 HB2 TYR A 47 3.582 -0.842 -0.212 1.00 0.00 H new ATOM 0 HB3 TYR A 47 1.946 -1.427 -0.437 1.00 0.00 H new ATOM 0 HD1 TYR A 47 5.080 -0.676 -2.369 1.00 0.00 H new ATOM 0 HD2 TYR A 47 1.482 -3.007 -2.111 1.00 0.00 H new ATOM 0 HE1 TYR A 47 5.829 -2.045 -4.297 1.00 0.00 H new ATOM 0 HE2 TYR A 47 2.228 -4.374 -4.039 1.00 0.00 H new ATOM 0 HH TYR A 47 3.819 -4.743 -5.562 1.00 0.00 H new ATOM 315 N LYS A 48 0.472 0.909 0.067 1.00 50.00 N ATOM 316 CA LYS A 48 -0.221 1.572 1.209 1.00 50.00 C ATOM 317 C LYS A 48 -0.586 0.518 2.261 1.00 50.00 C ATOM 318 O LYS A 48 -0.939 -0.598 1.934 1.00 50.00 O ATOM 319 CB LYS A 48 -1.477 2.198 0.603 1.00 0.00 C ATOM 320 CG LYS A 48 -1.082 3.408 -0.245 1.00 0.00 C ATOM 321 CD LYS A 48 -2.335 4.042 -0.849 1.00 0.00 C ATOM 322 CE LYS A 48 -1.948 4.859 -2.083 1.00 0.00 C ATOM 323 NZ LYS A 48 -1.645 6.220 -1.559 1.00 0.00 N ATOM 0 H LYS A 48 -0.090 0.224 -0.438 1.00 50.00 H new ATOM 0 HA LYS A 48 0.397 2.322 1.703 1.00 50.00 H new ATOM 0 HB2 LYS A 48 -2.002 1.466 -0.010 1.00 0.00 H new ATOM 0 HB3 LYS A 48 -2.163 2.502 1.394 1.00 0.00 H new ATOM 0 HG2 LYS A 48 -0.553 4.137 0.368 1.00 0.00 H new ATOM 0 HG3 LYS A 48 -0.399 3.102 -1.037 1.00 0.00 H new ATOM 0 HD2 LYS A 48 -3.052 3.268 -1.122 1.00 0.00 H new ATOM 0 HD3 LYS A 48 -2.822 4.682 -0.114 1.00 0.00 H new ATOM 0 HE2 LYS A 48 -1.083 4.428 -2.588 1.00 0.00 H new ATOM 0 HE3 LYS A 48 -2.760 4.887 -2.810 1.00 0.00 H new ATOM 0 HZ1 LYS A 48 -1.371 6.842 -2.346 1.00 0.00 H new ATOM 0 HZ2 LYS A 48 -2.489 6.607 -1.090 1.00 0.00 H new ATOM 0 HZ3 LYS A 48 -0.864 6.163 -0.875 1.00 0.00 H new ATOM 337 N GLN A 49 -0.491 0.851 3.520 1.00 50.00 N ATOM 338 CA GLN A 49 -0.818 -0.151 4.579 1.00 50.00 C ATOM 339 C GLN A 49 -2.309 -0.121 4.928 1.00 50.00 C ATOM 340 O GLN A 49 -2.796 0.811 5.537 1.00 50.00 O ATOM 341 CB GLN A 49 0.022 0.264 5.790 1.00 0.00 C ATOM 342 CG GLN A 49 -0.057 -0.828 6.860 1.00 0.00 C ATOM 343 CD GLN A 49 0.639 -0.348 8.135 1.00 0.00 C ATOM 344 OE1 GLN A 49 1.840 -0.176 8.158 1.00 0.00 O ATOM 345 NE2 GLN A 49 -0.073 -0.124 9.205 1.00 0.00 N ATOM 0 H GLN A 49 -0.203 1.768 3.861 1.00 50.00 H new ATOM 0 HA GLN A 49 -0.600 -1.167 4.251 1.00 50.00 H new ATOM 0 HB2 GLN A 49 1.058 0.422 5.491 1.00 0.00 H new ATOM 0 HB3 GLN A 49 -0.341 1.210 6.192 1.00 0.00 H new ATOM 0 HG2 GLN A 49 -1.099 -1.070 7.071 1.00 0.00 H new ATOM 0 HG3 GLN A 49 0.415 -1.741 6.498 1.00 0.00 H new ATOM 0 HE21 GLN A 49 -1.083 -0.269 9.185 1.00 0.00 H new ATOM 0 HE22 GLN A 49 0.380 0.196 10.061 1.00 0.00 H new ATOM 354 N ILE A 50 -3.032 -1.146 4.564 1.00 50.00 N ATOM 355 CA ILE A 50 -4.486 -1.188 4.896 1.00 50.00 C ATOM 356 C ILE A 50 -4.658 -1.559 6.368 1.00 50.00 C ATOM 357 O ILE A 50 -5.618 -1.181 7.012 1.00 50.00 O ATOM 358 CB ILE A 50 -5.070 -2.285 4.004 1.00 0.00 C ATOM 359 CG1 ILE A 50 -5.013 -1.842 2.544 1.00 0.00 C ATOM 360 CG2 ILE A 50 -6.525 -2.547 4.407 1.00 0.00 C ATOM 361 CD1 ILE A 50 -5.489 -2.985 1.646 1.00 0.00 C ATOM 0 H ILE A 50 -2.680 -1.955 4.052 1.00 50.00 H new ATOM 0 HA ILE A 50 -4.980 -0.230 4.734 1.00 50.00 H new ATOM 0 HB ILE A 50 -4.490 -3.200 4.124 1.00 0.00 H new ATOM 0 HG12 ILE A 50 -5.640 -0.963 2.395 1.00 0.00 H new ATOM 0 HG13 ILE A 50 -3.995 -1.557 2.279 1.00 0.00 H new ATOM 0 HG21 ILE A 50 -6.943 -3.328 3.773 1.00 0.00 H new ATOM 0 HG22 ILE A 50 -6.562 -2.866 5.448 1.00 0.00 H new ATOM 0 HG23 ILE A 50 -7.106 -1.633 4.287 1.00 0.00 H new ATOM 0 HD11 ILE A 50 -5.449 -2.670 0.603 1.00 0.00 H new ATOM 0 HD12 ILE A 50 -4.844 -3.852 1.788 1.00 0.00 H new ATOM 0 HD13 ILE A 50 -6.514 -3.249 1.906 1.00 0.00 H new ATOM 373 N GLY A 51 -3.727 -2.303 6.898 1.00 50.00 N ATOM 374 CA GLY A 51 -3.811 -2.718 8.325 1.00 50.00 C ATOM 375 C GLY A 51 -2.669 -3.691 8.624 1.00 50.00 C ATOM 376 O GLY A 51 -1.542 -3.292 8.839 1.00 50.00 O ATOM 0 H GLY A 51 -2.905 -2.644 6.399 1.00 50.00 H new ATOM 0 HA2 GLY A 51 -3.744 -1.846 8.976 1.00 50.00 H new ATOM 0 HA3 GLY A 51 -4.772 -3.192 8.524 1.00 50.00 H new ATOM 380 N THR A 52 -2.949 -4.965 8.629 1.00 50.00 N ATOM 381 CA THR A 52 -1.873 -5.963 8.905 1.00 50.00 C ATOM 382 C THR A 52 -2.261 -7.332 8.332 1.00 50.00 C ATOM 383 O THR A 52 -3.411 -7.723 8.353 1.00 50.00 O ATOM 384 CB THR A 52 -1.771 -6.038 10.430 1.00 0.00 C ATOM 385 OG1 THR A 52 -3.033 -6.404 10.970 1.00 0.00 O ATOM 386 CG2 THR A 52 -1.349 -4.678 10.992 1.00 0.00 C ATOM 0 H THR A 52 -3.873 -5.359 8.455 1.00 50.00 H new ATOM 0 HA THR A 52 -0.926 -5.678 8.447 1.00 50.00 H new ATOM 0 HB THR A 52 -1.025 -6.784 10.704 1.00 0.00 H new ATOM 0 HG1 THR A 52 -2.969 -6.454 11.947 1.00 0.00 H new ATOM 0 HG21 THR A 52 -1.279 -4.739 12.078 1.00 0.00 H new ATOM 0 HG22 THR A 52 -0.379 -4.399 10.580 1.00 0.00 H new ATOM 0 HG23 THR A 52 -2.089 -3.926 10.718 1.00 0.00 H new ATOM 394 N CYS A 53 -1.305 -8.066 7.826 1.00 50.00 N ATOM 395 CA CYS A 53 -1.610 -9.413 7.259 1.00 50.00 C ATOM 396 C CYS A 53 -2.259 -10.294 8.330 1.00 50.00 C ATOM 397 O CYS A 53 -3.169 -11.054 8.062 1.00 50.00 O ATOM 398 CB CYS A 53 -0.248 -9.984 6.856 1.00 0.00 C ATOM 399 SG CYS A 53 -0.438 -11.089 5.435 1.00 0.00 S ATOM 0 H CYS A 53 -0.324 -7.790 7.781 1.00 50.00 H new ATOM 0 HA CYS A 53 -2.301 -9.365 6.417 1.00 50.00 H new ATOM 0 HB2 CYS A 53 0.437 -9.173 6.608 1.00 0.00 H new ATOM 0 HB3 CYS A 53 0.191 -10.527 7.693 1.00 0.00 H new ATOM 404 N GLY A 54 -1.789 -10.191 9.540 1.00 50.00 N ATOM 405 CA GLY A 54 -2.357 -11.010 10.648 1.00 50.00 C ATOM 406 C GLY A 54 -1.405 -10.951 11.843 1.00 50.00 C ATOM 407 O GLY A 54 -1.808 -11.080 12.983 1.00 50.00 O ATOM 0 H GLY A 54 -1.028 -9.569 9.813 1.00 50.00 H new ATOM 0 HA2 GLY A 54 -3.340 -10.633 10.930 1.00 50.00 H new ATOM 0 HA3 GLY A 54 -2.492 -12.042 10.324 1.00 50.00 H new ATOM 411 N LEU A 55 -0.141 -10.751 11.587 1.00 50.00 N ATOM 412 CA LEU A 55 0.851 -10.675 12.699 1.00 50.00 C ATOM 413 C LEU A 55 1.673 -9.387 12.575 1.00 50.00 C ATOM 414 O LEU A 55 1.647 -8.733 11.551 1.00 50.00 O ATOM 415 CB LEU A 55 1.742 -11.904 12.513 1.00 0.00 C ATOM 416 CG LEU A 55 0.920 -13.173 12.753 1.00 0.00 C ATOM 417 CD1 LEU A 55 1.854 -14.384 12.812 1.00 0.00 C ATOM 418 CD2 LEU A 55 0.166 -13.049 14.079 1.00 0.00 C ATOM 0 H LEU A 55 0.250 -10.636 10.652 1.00 50.00 H new ATOM 0 HA LEU A 55 0.380 -10.660 13.682 1.00 50.00 H new ATOM 0 HB2 LEU A 55 2.160 -11.914 11.506 1.00 0.00 H new ATOM 0 HB3 LEU A 55 2.582 -11.866 13.207 1.00 0.00 H new ATOM 0 HG LEU A 55 0.207 -13.302 11.938 1.00 0.00 H new ATOM 0 HD11 LEU A 55 1.268 -15.287 12.983 1.00 0.00 H new ATOM 0 HD12 LEU A 55 2.393 -14.474 11.869 1.00 0.00 H new ATOM 0 HD13 LEU A 55 2.567 -14.254 13.626 1.00 0.00 H new ATOM 0 HD21 LEU A 55 -0.420 -13.952 14.250 1.00 0.00 H new ATOM 0 HD22 LEU A 55 0.880 -12.919 14.893 1.00 0.00 H new ATOM 0 HD23 LEU A 55 -0.500 -12.187 14.040 1.00 0.00 H new ATOM 430 N PRO A 56 2.378 -9.066 13.626 1.00 50.00 N ATOM 431 CA PRO A 56 3.218 -7.843 13.630 1.00 50.00 C ATOM 432 C PRO A 56 4.462 -8.046 12.762 1.00 50.00 C ATOM 433 O PRO A 56 5.243 -7.138 12.554 1.00 50.00 O ATOM 434 CB PRO A 56 3.601 -7.675 15.096 1.00 0.00 C ATOM 435 CG PRO A 56 3.504 -9.048 15.683 1.00 0.00 C ATOM 436 CD PRO A 56 2.463 -9.800 14.894 1.00 0.00 C ATOM 0 HA PRO A 56 2.705 -6.970 13.226 1.00 50.00 H new ATOM 0 HB2 PRO A 56 4.609 -7.273 15.197 1.00 0.00 H new ATOM 0 HB3 PRO A 56 2.930 -6.981 15.602 1.00 0.00 H new ATOM 0 HG2 PRO A 56 4.467 -9.557 15.632 1.00 0.00 H new ATOM 0 HG3 PRO A 56 3.226 -8.997 16.736 1.00 0.00 H new ATOM 0 HD2 PRO A 56 2.756 -10.838 14.735 1.00 0.00 H new ATOM 0 HD3 PRO A 56 1.504 -9.815 15.412 1.00 0.00 H new ATOM 444 N GLY A 57 4.651 -9.232 12.252 1.00 50.00 N ATOM 445 CA GLY A 57 5.841 -9.497 11.398 1.00 50.00 C ATOM 446 C GLY A 57 5.593 -8.942 9.993 1.00 50.00 C ATOM 447 O GLY A 57 6.503 -8.497 9.323 1.00 50.00 O ATOM 0 H GLY A 57 4.031 -10.030 12.391 1.00 50.00 H new ATOM 0 HA2 GLY A 57 6.726 -9.032 11.834 1.00 50.00 H new ATOM 0 HA3 GLY A 57 6.035 -10.568 11.349 1.00 50.00 H new ATOM 451 N THR A 58 4.367 -8.965 9.542 1.00 50.00 N ATOM 452 CA THR A 58 4.067 -8.440 8.180 1.00 50.00 C ATOM 453 C THR A 58 2.920 -7.427 8.234 1.00 50.00 C ATOM 454 O THR A 58 2.169 -7.366 9.189 1.00 50.00 O ATOM 455 CB THR A 58 3.657 -9.664 7.358 1.00 0.00 C ATOM 456 OG1 THR A 58 4.471 -10.772 7.716 1.00 0.00 O ATOM 457 CG2 THR A 58 3.834 -9.361 5.870 1.00 0.00 C ATOM 0 H THR A 58 3.563 -9.324 10.057 1.00 50.00 H new ATOM 0 HA THR A 58 4.924 -7.924 7.747 1.00 50.00 H new ATOM 0 HB THR A 58 2.613 -9.902 7.559 1.00 0.00 H new ATOM 0 HG1 THR A 58 4.206 -11.556 7.190 1.00 0.00 H new ATOM 0 HG21 THR A 58 3.542 -10.233 5.284 1.00 0.00 H new ATOM 0 HG22 THR A 58 3.208 -8.512 5.595 1.00 0.00 H new ATOM 0 HG23 THR A 58 4.878 -9.122 5.669 1.00 0.00 H new ATOM 465 N LYS A 59 2.781 -6.638 7.206 1.00 50.00 N ATOM 466 CA LYS A 59 1.688 -5.628 7.168 1.00 50.00 C ATOM 467 C LYS A 59 0.988 -5.684 5.810 1.00 50.00 C ATOM 468 O LYS A 59 1.612 -5.892 4.789 1.00 50.00 O ATOM 469 CB LYS A 59 2.385 -4.281 7.356 1.00 0.00 C ATOM 470 CG LYS A 59 3.010 -4.221 8.750 1.00 0.00 C ATOM 471 CD LYS A 59 1.909 -4.310 9.807 1.00 0.00 C ATOM 472 CE LYS A 59 2.497 -3.991 11.181 1.00 0.00 C ATOM 473 NZ LYS A 59 1.418 -4.342 12.149 1.00 0.00 N ATOM 0 H LYS A 59 3.384 -6.650 6.383 1.00 50.00 H new ATOM 0 HA LYS A 59 0.931 -5.800 7.933 1.00 50.00 H new ATOM 0 HB2 LYS A 59 3.154 -4.148 6.595 1.00 0.00 H new ATOM 0 HB3 LYS A 59 1.669 -3.468 7.231 1.00 0.00 H new ATOM 0 HG2 LYS A 59 3.719 -5.039 8.878 1.00 0.00 H new ATOM 0 HG3 LYS A 59 3.570 -3.293 8.870 1.00 0.00 H new ATOM 0 HD2 LYS A 59 1.106 -3.611 9.572 1.00 0.00 H new ATOM 0 HD3 LYS A 59 1.472 -5.308 9.809 1.00 0.00 H new ATOM 0 HE2 LYS A 59 3.401 -4.571 11.369 1.00 0.00 H new ATOM 0 HE3 LYS A 59 2.771 -2.939 11.259 1.00 0.00 H new ATOM 0 HZ1 LYS A 59 1.816 -4.396 13.108 1.00 0.00 H new ATOM 0 HZ2 LYS A 59 0.677 -3.613 12.123 1.00 0.00 H new ATOM 0 HZ3 LYS A 59 1.007 -5.262 11.892 1.00 0.00 H new ATOM 487 N CYS A 60 -0.300 -5.504 5.785 1.00 50.00 N ATOM 488 CA CYS A 60 -1.025 -5.553 4.485 1.00 50.00 C ATOM 489 C CYS A 60 -0.652 -4.345 3.625 1.00 50.00 C ATOM 490 O CYS A 60 -0.673 -3.220 4.078 1.00 50.00 O ATOM 491 CB CYS A 60 -2.505 -5.513 4.856 1.00 0.00 C ATOM 492 SG CYS A 60 -3.019 -7.140 5.454 1.00 0.00 S ATOM 0 H CYS A 60 -0.882 -5.326 6.604 1.00 50.00 H new ATOM 0 HA CYS A 60 -0.775 -6.442 3.906 1.00 50.00 H new ATOM 0 HB2 CYS A 60 -2.678 -4.760 5.624 1.00 0.00 H new ATOM 0 HB3 CYS A 60 -3.101 -5.227 3.989 1.00 0.00 H new ATOM 497 N CYS A 61 -0.310 -4.573 2.386 1.00 50.00 N ATOM 498 CA CYS A 61 0.069 -3.441 1.495 1.00 50.00 C ATOM 499 C CYS A 61 -0.804 -3.442 0.236 1.00 50.00 C ATOM 500 O CYS A 61 -1.430 -4.429 -0.096 1.00 50.00 O ATOM 501 CB CYS A 61 1.534 -3.704 1.139 1.00 0.00 C ATOM 502 SG CYS A 61 2.569 -3.569 2.622 1.00 0.00 S ATOM 0 H CYS A 61 -0.277 -5.496 1.952 1.00 50.00 H new ATOM 0 HA CYS A 61 -0.070 -2.470 1.970 1.00 50.00 H new ATOM 0 HB2 CYS A 61 1.638 -4.698 0.703 1.00 0.00 H new ATOM 0 HB3 CYS A 61 1.868 -2.989 0.387 1.00 0.00 H new ATOM 507 N LYS A 62 -0.855 -2.339 -0.465 1.00 50.00 N ATOM 508 CA LYS A 62 -1.693 -2.275 -1.700 1.00 50.00 C ATOM 509 C LYS A 62 -0.838 -1.900 -2.915 1.00 50.00 C ATOM 510 O LYS A 62 0.271 -1.422 -2.786 1.00 50.00 O ATOM 511 CB LYS A 62 -2.725 -1.179 -1.427 1.00 0.00 C ATOM 512 CG LYS A 62 -3.733 -1.663 -0.385 1.00 0.00 C ATOM 513 CD LYS A 62 -4.757 -0.556 -0.119 1.00 0.00 C ATOM 514 CE LYS A 62 -5.277 -0.010 -1.452 1.00 0.00 C ATOM 515 NZ LYS A 62 -6.282 1.023 -1.075 1.00 0.00 N ATOM 0 H LYS A 62 -0.353 -1.481 -0.236 1.00 50.00 H new ATOM 0 HA LYS A 62 -2.158 -3.236 -1.922 1.00 50.00 H new ATOM 0 HB2 LYS A 62 -2.226 -0.277 -1.072 1.00 0.00 H new ATOM 0 HB3 LYS A 62 -3.241 -0.915 -2.350 1.00 0.00 H new ATOM 0 HG2 LYS A 62 -4.236 -2.562 -0.740 1.00 0.00 H new ATOM 0 HG3 LYS A 62 -3.219 -1.929 0.539 1.00 0.00 H new ATOM 0 HD2 LYS A 62 -5.584 -0.946 0.474 1.00 0.00 H new ATOM 0 HD3 LYS A 62 -4.299 0.246 0.461 1.00 0.00 H new ATOM 0 HE2 LYS A 62 -4.470 0.421 -2.044 1.00 0.00 H new ATOM 0 HE3 LYS A 62 -5.728 -0.799 -2.054 1.00 0.00 H new ATOM 0 HZ1 LYS A 62 -6.685 1.445 -1.936 1.00 0.00 H new ATOM 0 HZ2 LYS A 62 -7.041 0.582 -0.517 1.00 0.00 H new ATOM 0 HZ3 LYS A 62 -5.822 1.764 -0.509 1.00 0.00 H new ATOM 529 N LYS A 63 -1.354 -2.110 -4.095 1.00 50.00 N ATOM 530 CA LYS A 63 -0.578 -1.767 -5.322 1.00 50.00 C ATOM 531 C LYS A 63 -1.276 -0.644 -6.097 1.00 50.00 C ATOM 532 O LYS A 63 -2.472 -0.684 -6.307 1.00 50.00 O ATOM 533 CB LYS A 63 -0.560 -3.054 -6.147 1.00 0.00 C ATOM 534 CG LYS A 63 0.480 -4.014 -5.570 1.00 0.00 C ATOM 535 CD LYS A 63 0.570 -5.259 -6.454 1.00 0.00 C ATOM 536 CE LYS A 63 1.234 -4.898 -7.783 1.00 0.00 C ATOM 537 NZ LYS A 63 1.370 -6.194 -8.506 1.00 0.00 N ATOM 0 H LYS A 63 -2.280 -2.504 -4.263 1.00 50.00 H new ATOM 0 HA LYS A 63 0.427 -1.414 -5.090 1.00 50.00 H new ATOM 0 HB2 LYS A 63 -1.546 -3.519 -6.136 1.00 0.00 H new ATOM 0 HB3 LYS A 63 -0.325 -2.829 -7.187 1.00 0.00 H new ATOM 0 HG2 LYS A 63 1.452 -3.524 -5.514 1.00 0.00 H new ATOM 0 HG3 LYS A 63 0.206 -4.296 -4.553 1.00 0.00 H new ATOM 0 HD2 LYS A 63 1.144 -6.036 -5.948 1.00 0.00 H new ATOM 0 HD3 LYS A 63 -0.426 -5.664 -6.632 1.00 0.00 H new ATOM 0 HE2 LYS A 63 0.627 -4.191 -8.349 1.00 0.00 H new ATOM 0 HE3 LYS A 63 2.205 -4.429 -7.625 1.00 0.00 H new ATOM 0 HZ1 LYS A 63 1.818 -6.031 -9.430 1.00 0.00 H new ATOM 0 HZ2 LYS A 63 1.958 -6.844 -7.946 1.00 0.00 H new ATOM 0 HZ3 LYS A 63 0.429 -6.613 -8.647 1.00 0.00 H new ATOM 551 N PRO A 64 -0.496 0.323 -6.503 1.00 50.00 N ATOM 552 CA PRO A 64 -1.039 1.471 -7.270 1.00 50.00 C ATOM 553 C PRO A 64 -1.410 1.041 -8.692 1.00 50.00 C ATOM 554 O PRO A 64 -0.504 0.836 -9.484 1.00 50.00 O ATOM 555 CB PRO A 64 0.118 2.466 -7.289 1.00 0.00 C ATOM 556 CG PRO A 64 1.347 1.633 -7.112 1.00 0.00 C ATOM 557 CD PRO A 64 0.950 0.437 -6.285 1.00 0.00 C ATOM 558 OXT PRO A 64 -2.594 0.929 -8.965 1.00 99.99 O ATOM 0 HA PRO A 64 -1.947 1.886 -6.833 1.00 50.00 H new ATOM 0 HB2 PRO A 64 0.148 3.019 -8.228 1.00 0.00 H new ATOM 0 HB3 PRO A 64 0.020 3.200 -6.489 1.00 0.00 H new ATOM 0 HG2 PRO A 64 1.744 1.320 -8.078 1.00 0.00 H new ATOM 0 HG3 PRO A 64 2.132 2.203 -6.615 1.00 0.00 H new ATOM 0 HD2 PRO A 64 1.475 -0.463 -6.606 1.00 0.00 H new ATOM 0 HD3 PRO A 64 1.185 0.584 -5.231 1.00 0.00 H new TER 566 PRO A 64