USER MOD reduce.3.24.130724 H: found=0, std=0, add=269, rem=0, adj=12 USER MOD reduce.3.24.130724 removed 270 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 3 THR OG1 : rot -114:sc= -1.4 USER MOD Single : A 6 LYS NZ :NH3+ -165:sc= -0.0224 (180deg=-0.286) USER MOD Single : A 8 THR OG1 : rot 180:sc= -0.215 USER MOD Single : A 10 SER OG : rot 58:sc= 1.24 USER MOD Single : A 11 LYS NZ :NH3+ 164:sc= -0.0448 (180deg=-0.319) USER MOD Single : A 12 GLN : amide:sc= -1.3 K(o=-1.3,f=-2.1) USER MOD Single : A 18 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 19 GLN : amide:sc= -0.0407 K(o=-0.041,f=-1.9!) USER MOD Single : A 20 MET CE :methyl 151:sc= -0.308 (180deg=-0.69) USER MOD Single : A 23 LYS NZ :NH3+ -155:sc= -0.247 (180deg=-0.619) USER MOD Single : A 25 ASN :FLIP amide:sc= 0.893 F(o=-0.013,f=0.89) USER MOD Single : A 27 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 29 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Single : A 30 ASN :FLIP amide:sc= 0.982 F(o=-0.25,f=0.98) USER MOD Single : A 32 LYS NZ :NH3+ -106:sc= -0.571 (180deg=-2.23!) USER MOD Single : A 36 TYR OH : rot 180:sc= -2.07! USER MOD Single : A 37 SER OG : rot 29:sc= 0.602 USER MOD ----------------------------------------------------------------- ATOM 15 N PHE A 2 3.974 1.186 -1.492 1.00 1.00 N ATOM 16 CA PHE A 2 4.192 2.610 -1.831 1.00 1.00 C ATOM 17 C PHE A 2 3.013 3.188 -2.619 1.00 1.00 C ATOM 18 O PHE A 2 2.203 2.478 -3.184 1.00 1.00 O ATOM 19 CB PHE A 2 5.516 2.600 -2.592 1.00 1.00 C ATOM 20 CG PHE A 2 5.671 3.729 -3.595 1.00 1.00 C ATOM 21 CD1 PHE A 2 4.987 3.715 -4.800 1.00 1.00 C ATOM 22 CD2 PHE A 2 6.512 4.795 -3.319 1.00 1.00 C ATOM 23 CE1 PHE A 2 5.142 4.740 -5.710 1.00 1.00 C ATOM 24 CE2 PHE A 2 6.666 5.820 -4.230 1.00 1.00 C ATOM 25 CZ PHE A 2 5.982 5.794 -5.426 1.00 1.00 C ATOM 0 HA PHE A 2 4.248 3.266 -0.962 1.00 1.00 H new ATOM 0 HB2 PHE A 2 6.334 2.653 -1.874 1.00 1.00 H new ATOM 0 HB3 PHE A 2 5.613 1.649 -3.116 1.00 1.00 H new ATOM 0 HD1 PHE A 2 4.325 2.893 -5.029 1.00 1.00 H new ATOM 0 HD2 PHE A 2 7.051 4.824 -2.384 1.00 1.00 H new ATOM 0 HE1 PHE A 2 4.604 4.716 -6.646 1.00 1.00 H new ATOM 0 HE2 PHE A 2 7.325 6.646 -4.005 1.00 1.00 H new ATOM 0 HZ PHE A 2 6.104 6.597 -6.138 1.00 1.00 H new ATOM 35 N THR A 3 2.996 4.493 -2.608 1.00 1.00 N ATOM 36 CA THR A 3 1.945 5.297 -3.306 1.00 1.00 C ATOM 37 C THR A 3 2.620 6.416 -4.104 1.00 1.00 C ATOM 38 O THR A 3 3.770 6.735 -3.873 1.00 1.00 O ATOM 39 CB THR A 3 0.988 5.904 -2.262 1.00 1.00 C ATOM 40 OG1 THR A 3 1.851 6.549 -1.338 1.00 1.00 O ATOM 41 CG2 THR A 3 0.246 4.819 -1.455 1.00 1.00 C ATOM 0 H THR A 3 3.694 5.058 -2.125 1.00 1.00 H new ATOM 0 HA THR A 3 1.377 4.659 -3.983 1.00 1.00 H new ATOM 0 HB THR A 3 0.250 6.539 -2.752 1.00 1.00 H new ATOM 0 HG1 THR A 3 1.796 6.098 -0.470 1.00 1.00 H new ATOM 0 HG21 THR A 3 -0.417 5.293 -0.732 1.00 1.00 H new ATOM 0 HG22 THR A 3 -0.341 4.199 -2.133 1.00 1.00 H new ATOM 0 HG23 THR A 3 0.971 4.197 -0.930 1.00 1.00 H new ATOM 49 N ASP A 4 1.876 6.987 -5.015 1.00 1.00 N ATOM 50 CA ASP A 4 2.353 8.073 -5.879 1.00 1.00 C ATOM 51 C ASP A 4 1.793 9.436 -5.427 1.00 1.00 C ATOM 52 O ASP A 4 1.421 10.257 -6.245 1.00 1.00 O ATOM 53 CB ASP A 4 1.895 7.653 -7.260 1.00 1.00 C ATOM 54 CG ASP A 4 0.409 7.218 -7.269 1.00 1.00 C ATOM 55 OD1 ASP A 4 -0.413 8.084 -7.044 1.00 1.00 O ATOM 56 OD2 ASP A 4 0.194 6.038 -7.494 1.00 1.00 O ATOM 0 H ASP A 4 0.908 6.719 -5.192 1.00 1.00 H new ATOM 0 HA ASP A 4 3.433 8.218 -5.846 1.00 1.00 H new ATOM 0 HB2 ASP A 4 2.035 8.480 -7.956 1.00 1.00 H new ATOM 0 HB3 ASP A 4 2.516 6.830 -7.614 1.00 1.00 H new ATOM 61 N VAL A 5 1.755 9.633 -4.133 1.00 1.00 N ATOM 62 CA VAL A 5 1.238 10.920 -3.565 1.00 1.00 C ATOM 63 C VAL A 5 2.358 11.543 -2.725 1.00 1.00 C ATOM 64 O VAL A 5 3.092 10.846 -2.051 1.00 1.00 O ATOM 65 CB VAL A 5 0.000 10.615 -2.695 1.00 1.00 C ATOM 66 CG1 VAL A 5 -0.553 11.930 -2.095 1.00 1.00 C ATOM 67 CG2 VAL A 5 -1.086 9.958 -3.564 1.00 1.00 C ATOM 0 H VAL A 5 2.062 8.952 -3.438 1.00 1.00 H new ATOM 0 HA VAL A 5 0.945 11.616 -4.350 1.00 1.00 H new ATOM 0 HB VAL A 5 0.285 9.940 -1.888 1.00 1.00 H new ATOM 0 HG11 VAL A 5 -1.427 11.711 -1.481 1.00 1.00 H new ATOM 0 HG12 VAL A 5 0.214 12.400 -1.479 1.00 1.00 H new ATOM 0 HG13 VAL A 5 -0.836 12.607 -2.901 1.00 1.00 H new ATOM 0 HG21 VAL A 5 -1.961 9.742 -2.951 1.00 1.00 H new ATOM 0 HG22 VAL A 5 -1.366 10.636 -4.370 1.00 1.00 H new ATOM 0 HG23 VAL A 5 -0.701 9.030 -3.987 1.00 1.00 H new ATOM 77 N LYS A 6 2.440 12.848 -2.794 1.00 1.00 N ATOM 78 CA LYS A 6 3.490 13.594 -2.036 1.00 1.00 C ATOM 79 C LYS A 6 3.300 13.633 -0.508 1.00 1.00 C ATOM 80 O LYS A 6 2.184 13.662 -0.025 1.00 1.00 O ATOM 81 CB LYS A 6 3.541 15.032 -2.579 1.00 1.00 C ATOM 82 CG LYS A 6 3.947 15.002 -4.076 1.00 1.00 C ATOM 83 CD LYS A 6 4.037 16.437 -4.658 1.00 1.00 C ATOM 84 CE LYS A 6 2.664 17.143 -4.646 1.00 1.00 C ATOM 85 NZ LYS A 6 1.669 16.367 -5.444 1.00 1.00 N ATOM 0 H LYS A 6 1.817 13.434 -3.349 1.00 1.00 H new ATOM 0 HA LYS A 6 4.423 13.051 -2.191 1.00 1.00 H new ATOM 0 HB2 LYS A 6 2.569 15.511 -2.464 1.00 1.00 H new ATOM 0 HB3 LYS A 6 4.257 15.623 -2.008 1.00 1.00 H new ATOM 0 HG2 LYS A 6 4.909 14.501 -4.185 1.00 1.00 H new ATOM 0 HG3 LYS A 6 3.219 14.421 -4.642 1.00 1.00 H new ATOM 0 HD2 LYS A 6 4.752 17.021 -4.078 1.00 1.00 H new ATOM 0 HD3 LYS A 6 4.415 16.393 -5.679 1.00 1.00 H new ATOM 0 HE2 LYS A 6 2.312 17.249 -3.620 1.00 1.00 H new ATOM 0 HE3 LYS A 6 2.762 18.149 -5.055 1.00 1.00 H new ATOM 0 HZ1 LYS A 6 0.840 16.964 -5.640 1.00 1.00 H new ATOM 0 HZ2 LYS A 6 2.101 16.069 -6.342 1.00 1.00 H new ATOM 0 HZ3 LYS A 6 1.372 15.527 -4.907 1.00 1.00 H new ATOM 99 N CYS A 7 4.410 13.630 0.186 1.00 1.00 N ATOM 100 CA CYS A 7 4.407 13.673 1.684 1.00 1.00 C ATOM 101 C CYS A 7 5.526 14.584 2.177 1.00 1.00 C ATOM 102 O CYS A 7 6.338 15.074 1.415 1.00 1.00 O ATOM 103 CB CYS A 7 4.633 12.267 2.303 1.00 1.00 C ATOM 104 SG CYS A 7 6.096 11.316 1.821 1.00 1.00 S ATOM 0 H CYS A 7 5.340 13.599 -0.231 1.00 1.00 H new ATOM 0 HA CYS A 7 3.430 14.046 1.992 1.00 1.00 H new ATOM 0 HB2 CYS A 7 4.661 12.386 3.386 1.00 1.00 H new ATOM 0 HB3 CYS A 7 3.757 11.662 2.071 1.00 1.00 H new ATOM 109 N THR A 8 5.504 14.762 3.469 1.00 1.00 N ATOM 110 CA THR A 8 6.463 15.583 4.207 1.00 1.00 C ATOM 111 C THR A 8 7.104 14.669 5.257 1.00 1.00 C ATOM 112 O THR A 8 8.307 14.658 5.431 1.00 1.00 O ATOM 113 CB THR A 8 5.725 16.778 4.871 1.00 1.00 C ATOM 114 OG1 THR A 8 4.700 16.204 5.674 1.00 1.00 O ATOM 115 CG2 THR A 8 4.991 17.638 3.819 1.00 1.00 C ATOM 0 H THR A 8 4.801 14.332 4.070 1.00 1.00 H new ATOM 0 HA THR A 8 7.229 16.001 3.554 1.00 1.00 H new ATOM 0 HB THR A 8 6.444 17.392 5.414 1.00 1.00 H new ATOM 0 HG1 THR A 8 4.198 16.916 6.122 1.00 1.00 H new ATOM 0 HG21 THR A 8 4.484 18.466 4.315 1.00 1.00 H new ATOM 0 HG22 THR A 8 5.713 18.031 3.103 1.00 1.00 H new ATOM 0 HG23 THR A 8 4.257 17.025 3.296 1.00 1.00 H new ATOM 123 N GLY A 9 6.249 13.934 5.922 1.00 1.00 N ATOM 124 CA GLY A 9 6.689 12.984 6.987 1.00 1.00 C ATOM 125 C GLY A 9 5.642 11.881 7.154 1.00 1.00 C ATOM 126 O GLY A 9 4.587 11.940 6.551 1.00 1.00 O ATOM 0 H GLY A 9 5.241 13.954 5.767 1.00 1.00 H new ATOM 0 HA2 GLY A 9 7.653 12.548 6.724 1.00 1.00 H new ATOM 0 HA3 GLY A 9 6.826 13.515 7.929 1.00 1.00 H new ATOM 130 N SER A 10 5.982 10.906 7.965 1.00 1.00 N ATOM 131 CA SER A 10 5.077 9.748 8.252 1.00 1.00 C ATOM 132 C SER A 10 3.610 10.214 8.398 1.00 1.00 C ATOM 133 O SER A 10 2.735 9.784 7.676 1.00 1.00 O ATOM 134 CB SER A 10 5.564 9.075 9.543 1.00 1.00 C ATOM 135 OG SER A 10 4.628 8.040 9.797 1.00 1.00 O ATOM 0 H SER A 10 6.876 10.865 8.454 1.00 1.00 H new ATOM 0 HA SER A 10 5.107 9.040 7.424 1.00 1.00 H new ATOM 0 HB2 SER A 10 6.571 8.675 9.423 1.00 1.00 H new ATOM 0 HB3 SER A 10 5.599 9.786 10.369 1.00 1.00 H new ATOM 0 HG SER A 10 4.597 7.431 9.030 1.00 1.00 H new ATOM 141 N LYS A 11 3.420 11.088 9.355 1.00 1.00 N ATOM 142 CA LYS A 11 2.098 11.690 9.686 1.00 1.00 C ATOM 143 C LYS A 11 1.270 12.093 8.456 1.00 1.00 C ATOM 144 O LYS A 11 0.077 11.876 8.416 1.00 1.00 O ATOM 145 CB LYS A 11 2.366 12.904 10.576 1.00 1.00 C ATOM 146 CG LYS A 11 3.039 12.463 11.898 1.00 1.00 C ATOM 147 CD LYS A 11 3.293 13.707 12.778 1.00 1.00 C ATOM 148 CE LYS A 11 3.966 13.287 14.098 1.00 1.00 C ATOM 149 NZ LYS A 11 5.298 12.667 13.834 1.00 1.00 N ATOM 0 H LYS A 11 4.176 11.424 9.952 1.00 1.00 H new ATOM 0 HA LYS A 11 1.494 10.938 10.194 1.00 1.00 H new ATOM 0 HB2 LYS A 11 3.007 13.613 10.052 1.00 1.00 H new ATOM 0 HB3 LYS A 11 1.430 13.420 10.791 1.00 1.00 H new ATOM 0 HG2 LYS A 11 2.402 11.754 12.426 1.00 1.00 H new ATOM 0 HG3 LYS A 11 3.979 11.953 11.689 1.00 1.00 H new ATOM 0 HD2 LYS A 11 3.927 14.416 12.246 1.00 1.00 H new ATOM 0 HD3 LYS A 11 2.351 14.215 12.985 1.00 1.00 H new ATOM 0 HE2 LYS A 11 4.085 14.156 14.745 1.00 1.00 H new ATOM 0 HE3 LYS A 11 3.328 12.580 14.629 1.00 1.00 H new ATOM 0 HZ1 LYS A 11 5.849 12.638 14.716 1.00 1.00 H new ATOM 0 HZ2 LYS A 11 5.166 11.699 13.477 1.00 1.00 H new ATOM 0 HZ3 LYS A 11 5.809 13.231 13.125 1.00 1.00 H new ATOM 163 N GLN A 12 1.941 12.678 7.498 1.00 1.00 N ATOM 164 CA GLN A 12 1.287 13.137 6.229 1.00 1.00 C ATOM 165 C GLN A 12 0.876 11.917 5.375 1.00 1.00 C ATOM 166 O GLN A 12 -0.153 11.886 4.743 1.00 1.00 O ATOM 167 CB GLN A 12 2.278 14.006 5.475 1.00 1.00 C ATOM 168 CG GLN A 12 1.624 15.188 4.704 1.00 1.00 C ATOM 169 CD GLN A 12 0.586 14.714 3.675 1.00 1.00 C ATOM 170 OE1 GLN A 12 -0.520 14.368 4.010 1.00 1.00 O ATOM 171 NE2 GLN A 12 0.912 14.682 2.413 1.00 1.00 N ATOM 0 H GLN A 12 2.943 12.863 7.541 1.00 1.00 H new ATOM 0 HA GLN A 12 0.387 13.710 6.451 1.00 1.00 H new ATOM 0 HB2 GLN A 12 3.006 14.405 6.181 1.00 1.00 H new ATOM 0 HB3 GLN A 12 2.827 13.384 4.768 1.00 1.00 H new ATOM 0 HG2 GLN A 12 1.145 15.861 5.415 1.00 1.00 H new ATOM 0 HG3 GLN A 12 2.400 15.760 4.196 1.00 1.00 H new ATOM 0 HE21 GLN A 12 1.845 14.973 2.120 1.00 1.00 H new ATOM 0 HE22 GLN A 12 0.234 14.366 1.719 1.00 1.00 H new ATOM 180 N CYS A 13 1.730 10.931 5.404 1.00 1.00 N ATOM 181 CA CYS A 13 1.492 9.683 4.632 1.00 1.00 C ATOM 182 C CYS A 13 0.375 8.818 5.205 1.00 1.00 C ATOM 183 O CYS A 13 -0.189 8.022 4.489 1.00 1.00 O ATOM 184 CB CYS A 13 2.780 8.897 4.594 1.00 1.00 C ATOM 185 SG CYS A 13 2.655 7.195 4.009 1.00 1.00 S ATOM 0 H CYS A 13 2.598 10.940 5.940 1.00 1.00 H new ATOM 0 HA CYS A 13 1.169 9.969 3.631 1.00 1.00 H new ATOM 0 HB2 CYS A 13 3.487 9.428 3.956 1.00 1.00 H new ATOM 0 HB3 CYS A 13 3.204 8.884 5.598 1.00 1.00 H new ATOM 190 N TRP A 14 0.098 8.979 6.471 1.00 1.00 N ATOM 191 CA TRP A 14 -0.970 8.180 7.114 1.00 1.00 C ATOM 192 C TRP A 14 -2.341 8.387 6.400 1.00 1.00 C ATOM 193 O TRP A 14 -2.895 7.426 5.892 1.00 1.00 O ATOM 194 CB TRP A 14 -0.977 8.621 8.587 1.00 1.00 C ATOM 195 CG TRP A 14 0.047 7.826 9.408 1.00 1.00 C ATOM 196 CD1 TRP A 14 1.300 7.477 8.994 1.00 1.00 C ATOM 197 CD2 TRP A 14 -0.135 7.363 10.663 1.00 1.00 C ATOM 198 NE1 TRP A 14 1.789 6.825 10.031 1.00 1.00 N ATOM 199 CE2 TRP A 14 1.002 6.700 11.086 1.00 1.00 C ATOM 200 CE3 TRP A 14 -1.234 7.454 11.518 1.00 1.00 C ATOM 201 CZ2 TRP A 14 1.059 6.129 12.353 1.00 1.00 C ATOM 202 CZ3 TRP A 14 -1.181 6.881 12.787 1.00 1.00 C ATOM 203 CH2 TRP A 14 -0.030 6.218 13.205 1.00 1.00 C ATOM 0 H TRP A 14 0.574 9.637 7.088 1.00 1.00 H new ATOM 0 HA TRP A 14 -0.788 7.108 7.040 1.00 1.00 H new ATOM 0 HB2 TRP A 14 -0.752 9.685 8.652 1.00 1.00 H new ATOM 0 HB3 TRP A 14 -1.973 8.480 9.007 1.00 1.00 H new ATOM 0 HD1 TRP A 14 1.776 7.684 8.047 1.00 1.00 H new ATOM 0 HE1 TRP A 14 2.731 6.435 10.020 1.00 1.00 H new ATOM 0 HE3 TRP A 14 -2.127 7.969 11.196 1.00 1.00 H new ATOM 0 HZ2 TRP A 14 1.954 5.615 12.673 1.00 1.00 H new ATOM 0 HZ3 TRP A 14 -2.033 6.951 13.447 1.00 1.00 H new ATOM 0 HH2 TRP A 14 0.014 5.775 14.189 1.00 1.00 H new ATOM 214 N PRO A 15 -2.859 9.602 6.361 1.00 1.00 N ATOM 215 CA PRO A 15 -4.126 9.914 5.646 1.00 1.00 C ATOM 216 C PRO A 15 -3.953 9.628 4.151 1.00 1.00 C ATOM 217 O PRO A 15 -4.836 9.068 3.537 1.00 1.00 O ATOM 218 CB PRO A 15 -4.394 11.389 5.965 1.00 1.00 C ATOM 219 CG PRO A 15 -2.975 11.951 6.169 1.00 1.00 C ATOM 220 CD PRO A 15 -2.290 10.831 6.976 1.00 1.00 C ATOM 0 HA PRO A 15 -4.976 9.305 5.955 1.00 1.00 H new ATOM 0 HB2 PRO A 15 -4.916 11.892 5.151 1.00 1.00 H new ATOM 0 HB3 PRO A 15 -5.009 11.506 6.858 1.00 1.00 H new ATOM 0 HG2 PRO A 15 -2.471 12.135 5.220 1.00 1.00 H new ATOM 0 HG3 PRO A 15 -2.986 12.895 6.713 1.00 1.00 H new ATOM 0 HD2 PRO A 15 -1.205 10.868 6.882 1.00 1.00 H new ATOM 0 HD3 PRO A 15 -2.520 10.897 8.039 1.00 1.00 H new ATOM 228 N VAL A 16 -2.824 10.022 3.610 1.00 1.00 N ATOM 229 CA VAL A 16 -2.557 9.780 2.157 1.00 1.00 C ATOM 230 C VAL A 16 -2.750 8.302 1.803 1.00 1.00 C ATOM 231 O VAL A 16 -3.353 7.978 0.798 1.00 1.00 O ATOM 232 CB VAL A 16 -1.135 10.252 1.868 1.00 1.00 C ATOM 233 CG1 VAL A 16 -0.590 9.690 0.537 1.00 1.00 C ATOM 234 CG2 VAL A 16 -1.107 11.798 1.799 1.00 1.00 C ATOM 0 H VAL A 16 -2.076 10.501 4.112 1.00 1.00 H new ATOM 0 HA VAL A 16 -3.262 10.335 1.539 1.00 1.00 H new ATOM 0 HB VAL A 16 -0.503 9.885 2.676 1.00 1.00 H new ATOM 0 HG11 VAL A 16 0.425 10.055 0.376 1.00 1.00 H new ATOM 0 HG12 VAL A 16 -0.582 8.601 0.578 1.00 1.00 H new ATOM 0 HG13 VAL A 16 -1.227 10.017 -0.284 1.00 1.00 H new ATOM 0 HG21 VAL A 16 -0.091 12.135 1.593 1.00 1.00 H new ATOM 0 HG22 VAL A 16 -1.771 12.139 1.004 1.00 1.00 H new ATOM 0 HG23 VAL A 16 -1.440 12.211 2.751 1.00 1.00 H new ATOM 244 N CYS A 17 -2.225 7.453 2.648 1.00 1.00 N ATOM 245 CA CYS A 17 -2.350 5.988 2.406 1.00 1.00 C ATOM 246 C CYS A 17 -3.810 5.598 2.624 1.00 1.00 C ATOM 247 O CYS A 17 -4.361 4.858 1.835 1.00 1.00 O ATOM 248 CB CYS A 17 -1.481 5.184 3.376 1.00 1.00 C ATOM 249 SG CYS A 17 -1.635 3.400 3.113 1.00 1.00 S ATOM 0 H CYS A 17 -1.716 7.712 3.493 1.00 1.00 H new ATOM 0 HA CYS A 17 -2.021 5.769 1.390 1.00 1.00 H new ATOM 0 HB2 CYS A 17 -0.438 5.479 3.257 1.00 1.00 H new ATOM 0 HB3 CYS A 17 -1.765 5.424 4.401 1.00 1.00 H new ATOM 254 N LYS A 18 -4.387 6.102 3.691 1.00 1.00 N ATOM 255 CA LYS A 18 -5.822 5.796 4.007 1.00 1.00 C ATOM 256 C LYS A 18 -6.662 6.018 2.732 1.00 1.00 C ATOM 257 O LYS A 18 -7.530 5.243 2.382 1.00 1.00 O ATOM 258 CB LYS A 18 -6.304 6.744 5.127 1.00 1.00 C ATOM 259 CG LYS A 18 -7.694 6.353 5.602 1.00 1.00 C ATOM 260 CD LYS A 18 -8.161 7.265 6.765 1.00 1.00 C ATOM 261 CE LYS A 18 -8.322 8.728 6.296 1.00 1.00 C ATOM 262 NZ LYS A 18 -8.823 9.566 7.421 1.00 1.00 N ATOM 0 H LYS A 18 -3.923 6.716 4.361 1.00 1.00 H new ATOM 0 HA LYS A 18 -5.929 4.764 4.342 1.00 1.00 H new ATOM 0 HB2 LYS A 18 -5.606 6.711 5.963 1.00 1.00 H new ATOM 0 HB3 LYS A 18 -6.315 7.771 4.761 1.00 1.00 H new ATOM 0 HG2 LYS A 18 -8.399 6.425 4.774 1.00 1.00 H new ATOM 0 HG3 LYS A 18 -7.691 5.313 5.929 1.00 1.00 H new ATOM 0 HD2 LYS A 18 -9.110 6.900 7.159 1.00 1.00 H new ATOM 0 HD3 LYS A 18 -7.439 7.219 7.580 1.00 1.00 H new ATOM 0 HE2 LYS A 18 -7.366 9.113 5.941 1.00 1.00 H new ATOM 0 HE3 LYS A 18 -9.016 8.776 5.457 1.00 1.00 H new ATOM 0 HZ1 LYS A 18 -8.930 10.550 7.100 1.00 1.00 H new ATOM 0 HZ2 LYS A 18 -9.744 9.204 7.740 1.00 1.00 H new ATOM 0 HZ3 LYS A 18 -8.145 9.530 8.209 1.00 1.00 H new ATOM 276 N GLN A 19 -6.338 7.108 2.089 1.00 1.00 N ATOM 277 CA GLN A 19 -7.018 7.528 0.828 1.00 1.00 C ATOM 278 C GLN A 19 -6.670 6.640 -0.371 1.00 1.00 C ATOM 279 O GLN A 19 -7.551 6.214 -1.093 1.00 1.00 O ATOM 280 CB GLN A 19 -6.623 8.991 0.549 1.00 1.00 C ATOM 281 CG GLN A 19 -7.226 9.896 1.647 1.00 1.00 C ATOM 282 CD GLN A 19 -6.644 11.311 1.523 1.00 1.00 C ATOM 283 OE1 GLN A 19 -5.461 11.527 1.695 1.00 1.00 O ATOM 284 NE2 GLN A 19 -7.441 12.301 1.228 1.00 1.00 N ATOM 0 H GLN A 19 -5.604 7.746 2.397 1.00 1.00 H new ATOM 0 HA GLN A 19 -8.095 7.426 0.964 1.00 1.00 H new ATOM 0 HB2 GLN A 19 -5.538 9.091 0.533 1.00 1.00 H new ATOM 0 HB3 GLN A 19 -6.985 9.298 -0.432 1.00 1.00 H new ATOM 0 HG2 GLN A 19 -8.311 9.928 1.551 1.00 1.00 H new ATOM 0 HG3 GLN A 19 -7.005 9.486 2.633 1.00 1.00 H new ATOM 0 HE21 GLN A 19 -8.436 12.129 1.082 1.00 1.00 H new ATOM 0 HE22 GLN A 19 -7.069 13.247 1.143 1.00 1.00 H new ATOM 293 N MET A 20 -5.399 6.385 -0.557 1.00 1.00 N ATOM 294 CA MET A 20 -4.903 5.561 -1.668 1.00 1.00 C ATOM 295 C MET A 20 -5.325 4.093 -1.618 1.00 1.00 C ATOM 296 O MET A 20 -5.984 3.601 -2.514 1.00 1.00 O ATOM 297 CB MET A 20 -3.371 5.672 -1.670 1.00 1.00 C ATOM 298 CG MET A 20 -2.921 7.022 -2.254 1.00 1.00 C ATOM 299 SD MET A 20 -3.301 7.325 -3.999 1.00 1.00 S ATOM 300 CE MET A 20 -1.941 6.378 -4.729 1.00 1.00 C ATOM 0 H MET A 20 -4.662 6.738 0.054 1.00 1.00 H new ATOM 0 HA MET A 20 -5.350 5.943 -2.586 1.00 1.00 H new ATOM 0 HB2 MET A 20 -2.993 5.567 -0.653 1.00 1.00 H new ATOM 0 HB3 MET A 20 -2.944 4.857 -2.255 1.00 1.00 H new ATOM 0 HG2 MET A 20 -3.378 7.816 -1.664 1.00 1.00 H new ATOM 0 HG3 MET A 20 -1.842 7.107 -2.122 1.00 1.00 H new ATOM 0 HE1 MET A 20 -2.243 6.001 -5.706 1.00 1.00 H new ATOM 0 HE2 MET A 20 -1.069 7.022 -4.843 1.00 1.00 H new ATOM 0 HE3 MET A 20 -1.691 5.540 -4.078 1.00 1.00 H new ATOM 310 N PHE A 21 -4.921 3.455 -0.553 1.00 1.00 N ATOM 311 CA PHE A 21 -5.219 2.017 -0.317 1.00 1.00 C ATOM 312 C PHE A 21 -6.258 1.798 0.788 1.00 1.00 C ATOM 313 O PHE A 21 -7.271 1.165 0.561 1.00 1.00 O ATOM 314 CB PHE A 21 -3.885 1.362 0.024 1.00 1.00 C ATOM 315 CG PHE A 21 -2.823 1.466 -1.091 1.00 1.00 C ATOM 316 CD1 PHE A 21 -3.139 1.745 -2.414 1.00 1.00 C ATOM 317 CD2 PHE A 21 -1.493 1.269 -0.762 1.00 1.00 C ATOM 318 CE1 PHE A 21 -2.154 1.822 -3.374 1.00 1.00 C ATOM 319 CE2 PHE A 21 -0.505 1.346 -1.723 1.00 1.00 C ATOM 320 CZ PHE A 21 -0.837 1.623 -3.030 1.00 1.00 C ATOM 0 H PHE A 21 -4.376 3.892 0.190 1.00 1.00 H new ATOM 0 HA PHE A 21 -5.668 1.572 -1.205 1.00 1.00 H new ATOM 0 HB2 PHE A 21 -3.489 1.821 0.930 1.00 1.00 H new ATOM 0 HB3 PHE A 21 -4.057 0.309 0.249 1.00 1.00 H new ATOM 0 HD1 PHE A 21 -4.170 1.904 -2.694 1.00 1.00 H new ATOM 0 HD2 PHE A 21 -1.224 1.052 0.261 1.00 1.00 H new ATOM 0 HE1 PHE A 21 -2.416 2.039 -4.399 1.00 1.00 H new ATOM 0 HE2 PHE A 21 0.528 1.189 -1.450 1.00 1.00 H new ATOM 0 HZ PHE A 21 -0.066 1.684 -3.783 1.00 1.00 H new ATOM 330 N GLY A 22 -5.971 2.325 1.952 1.00 1.00 N ATOM 331 CA GLY A 22 -6.878 2.194 3.131 1.00 1.00 C ATOM 332 C GLY A 22 -6.136 1.622 4.342 1.00 1.00 C ATOM 333 O GLY A 22 -6.695 0.886 5.129 1.00 1.00 O ATOM 0 H GLY A 22 -5.120 2.856 2.138 1.00 1.00 H new ATOM 0 HA2 GLY A 22 -7.293 3.170 3.384 1.00 1.00 H new ATOM 0 HA3 GLY A 22 -7.717 1.547 2.877 1.00 1.00 H new ATOM 337 N LYS A 23 -4.888 2.004 4.433 1.00 1.00 N ATOM 338 CA LYS A 23 -3.972 1.575 5.535 1.00 1.00 C ATOM 339 C LYS A 23 -3.527 2.889 6.202 1.00 1.00 C ATOM 340 O LYS A 23 -2.503 3.433 5.839 1.00 1.00 O ATOM 341 CB LYS A 23 -2.749 0.805 4.940 1.00 1.00 C ATOM 342 CG LYS A 23 -2.966 -0.726 4.915 1.00 1.00 C ATOM 343 CD LYS A 23 -4.230 -1.169 4.139 1.00 1.00 C ATOM 344 CE LYS A 23 -4.186 -0.693 2.680 1.00 1.00 C ATOM 345 NZ LYS A 23 -5.422 -1.130 1.973 1.00 1.00 N ATOM 0 H LYS A 23 -4.447 2.626 3.755 1.00 1.00 H new ATOM 0 HA LYS A 23 -4.450 0.901 6.246 1.00 1.00 H new ATOM 0 HB2 LYS A 23 -2.560 1.158 3.926 1.00 1.00 H new ATOM 0 HB3 LYS A 23 -1.860 1.033 5.528 1.00 1.00 H new ATOM 0 HG2 LYS A 23 -2.092 -1.199 4.467 1.00 1.00 H new ATOM 0 HG3 LYS A 23 -3.035 -1.090 5.940 1.00 1.00 H new ATOM 0 HD2 LYS A 23 -4.314 -2.255 4.167 1.00 1.00 H new ATOM 0 HD3 LYS A 23 -5.118 -0.768 4.628 1.00 1.00 H new ATOM 0 HE2 LYS A 23 -4.099 0.393 2.644 1.00 1.00 H new ATOM 0 HE3 LYS A 23 -3.307 -1.100 2.181 1.00 1.00 H new ATOM 0 HZ1 LYS A 23 -5.232 -1.199 0.953 1.00 1.00 H new ATOM 0 HZ2 LYS A 23 -5.718 -2.059 2.334 1.00 1.00 H new ATOM 0 HZ3 LYS A 23 -6.180 -0.437 2.138 1.00 1.00 H new ATOM 359 N PRO A 24 -4.297 3.380 7.152 1.00 1.00 N ATOM 360 CA PRO A 24 -4.197 4.787 7.637 1.00 1.00 C ATOM 361 C PRO A 24 -2.862 5.118 8.319 1.00 1.00 C ATOM 362 O PRO A 24 -2.683 6.215 8.808 1.00 1.00 O ATOM 363 CB PRO A 24 -5.399 4.936 8.568 1.00 1.00 C ATOM 364 CG PRO A 24 -5.521 3.511 9.150 1.00 1.00 C ATOM 365 CD PRO A 24 -5.352 2.632 7.894 1.00 1.00 C ATOM 0 HA PRO A 24 -4.215 5.500 6.813 1.00 1.00 H new ATOM 0 HB2 PRO A 24 -5.226 5.682 9.344 1.00 1.00 H new ATOM 0 HB3 PRO A 24 -6.298 5.237 8.031 1.00 1.00 H new ATOM 0 HG2 PRO A 24 -4.752 3.308 9.896 1.00 1.00 H new ATOM 0 HG3 PRO A 24 -6.484 3.350 9.634 1.00 1.00 H new ATOM 0 HD2 PRO A 24 -5.039 1.618 8.142 1.00 1.00 H new ATOM 0 HD3 PRO A 24 -6.277 2.550 7.322 1.00 1.00 H new ATOM 373 N ASN A 25 -1.967 4.163 8.333 1.00 1.00 N ATOM 374 CA ASN A 25 -0.642 4.325 8.939 1.00 1.00 C ATOM 375 C ASN A 25 0.346 4.310 7.788 1.00 1.00 C ATOM 376 O ASN A 25 -0.023 4.226 6.634 1.00 1.00 O ATOM 377 CB ASN A 25 -0.466 3.164 9.873 1.00 1.00 C ATOM 378 CG ASN A 25 -1.613 3.126 10.893 1.00 1.00 C ATOM 379 OD1 ASN A 25 -2.420 2.102 10.898 1.00 1.00 O flip ATOM 380 ND2 ASN A 25 -1.784 4.029 11.688 1.00 1.00 N flip ATOM 0 H ASN A 25 -2.124 3.241 7.926 1.00 1.00 H new ATOM 0 HA ASN A 25 -0.503 5.246 9.505 1.00 1.00 H new ATOM 0 HB2 ASN A 25 -0.442 2.233 9.307 1.00 1.00 H new ATOM 0 HB3 ASN A 25 0.489 3.247 10.392 1.00 1.00 H new ATOM 0 HD21 ASN A 25 -1.156 4.833 11.689 1.00 1.00 H new ATOM 0 HD22 ASN A 25 -2.555 3.983 12.354 1.00 1.00 H new ATOM 387 N GLY A 26 1.594 4.393 8.142 1.00 1.00 N ATOM 388 CA GLY A 26 2.651 4.386 7.090 1.00 1.00 C ATOM 389 C GLY A 26 3.822 5.313 7.376 1.00 1.00 C ATOM 390 O GLY A 26 3.936 5.882 8.442 1.00 1.00 O ATOM 0 H GLY A 26 1.929 4.465 9.103 1.00 1.00 H new ATOM 0 HA2 GLY A 26 3.027 3.369 6.975 1.00 1.00 H new ATOM 0 HA3 GLY A 26 2.202 4.669 6.138 1.00 1.00 H new ATOM 394 N LYS A 27 4.662 5.412 6.379 1.00 1.00 N ATOM 395 CA LYS A 27 5.892 6.268 6.450 1.00 1.00 C ATOM 396 C LYS A 27 6.057 7.147 5.210 1.00 1.00 C ATOM 397 O LYS A 27 5.328 6.987 4.261 1.00 1.00 O ATOM 398 CB LYS A 27 7.089 5.323 6.596 1.00 1.00 C ATOM 399 CG LYS A 27 7.131 4.754 7.977 1.00 1.00 C ATOM 400 CD LYS A 27 8.288 3.737 8.139 1.00 1.00 C ATOM 401 CE LYS A 27 9.661 4.432 8.035 1.00 1.00 C ATOM 402 NZ LYS A 27 10.747 3.433 8.249 1.00 1.00 N ATOM 0 H LYS A 27 4.546 4.922 5.492 1.00 1.00 H new ATOM 0 HA LYS A 27 5.815 6.949 7.298 1.00 1.00 H new ATOM 0 HB2 LYS A 27 7.017 4.518 5.865 1.00 1.00 H new ATOM 0 HB3 LYS A 27 8.014 5.861 6.388 1.00 1.00 H new ATOM 0 HG2 LYS A 27 7.251 5.561 8.700 1.00 1.00 H new ATOM 0 HG3 LYS A 27 6.182 4.265 8.199 1.00 1.00 H new ATOM 0 HD2 LYS A 27 8.203 3.236 9.104 1.00 1.00 H new ATOM 0 HD3 LYS A 27 8.208 2.967 7.372 1.00 1.00 H new ATOM 0 HE2 LYS A 27 9.770 4.898 7.056 1.00 1.00 H new ATOM 0 HE3 LYS A 27 9.734 5.227 8.777 1.00 1.00 H new ATOM 0 HZ1 LYS A 27 11.671 3.904 8.178 1.00 1.00 H new ATOM 0 HZ2 LYS A 27 10.647 3.008 9.193 1.00 1.00 H new ATOM 0 HZ3 LYS A 27 10.682 2.689 7.525 1.00 1.00 H new ATOM 416 N CYS A 28 7.000 8.055 5.231 1.00 1.00 N ATOM 417 CA CYS A 28 7.232 8.932 4.058 1.00 1.00 C ATOM 418 C CYS A 28 8.591 8.503 3.483 1.00 1.00 C ATOM 419 O CYS A 28 9.415 7.951 4.188 1.00 1.00 O ATOM 420 CB CYS A 28 7.247 10.407 4.504 1.00 1.00 C ATOM 421 SG CYS A 28 7.513 11.661 3.223 1.00 1.00 S ATOM 0 H CYS A 28 7.622 8.223 6.022 1.00 1.00 H new ATOM 0 HA CYS A 28 6.448 8.840 3.307 1.00 1.00 H new ATOM 0 HB2 CYS A 28 6.297 10.621 4.993 1.00 1.00 H new ATOM 0 HB3 CYS A 28 8.026 10.524 5.257 1.00 1.00 H new ATOM 426 N MET A 29 8.786 8.771 2.219 1.00 1.00 N ATOM 427 CA MET A 29 10.038 8.413 1.510 1.00 1.00 C ATOM 428 C MET A 29 10.473 9.622 0.693 1.00 1.00 C ATOM 429 O MET A 29 10.181 9.705 -0.477 1.00 1.00 O ATOM 430 CB MET A 29 9.775 7.182 0.591 1.00 1.00 C ATOM 431 CG MET A 29 9.212 6.002 1.408 1.00 1.00 C ATOM 432 SD MET A 29 8.851 4.473 0.507 1.00 1.00 S ATOM 433 CE MET A 29 10.471 3.681 0.676 1.00 1.00 C ATOM 0 H MET A 29 8.098 9.242 1.632 1.00 1.00 H new ATOM 0 HA MET A 29 10.827 8.147 2.213 1.00 1.00 H new ATOM 0 HB2 MET A 29 9.072 7.454 -0.197 1.00 1.00 H new ATOM 0 HB3 MET A 29 10.702 6.883 0.102 1.00 1.00 H new ATOM 0 HG2 MET A 29 9.924 5.768 2.199 1.00 1.00 H new ATOM 0 HG3 MET A 29 8.294 6.334 1.893 1.00 1.00 H new ATOM 0 HE1 MET A 29 10.455 2.711 0.179 1.00 1.00 H new ATOM 0 HE2 MET A 29 11.234 4.311 0.218 1.00 1.00 H new ATOM 0 HE3 MET A 29 10.701 3.544 1.733 1.00 1.00 H new ATOM 443 N ASN A 30 11.156 10.510 1.380 1.00 1.00 N ATOM 444 CA ASN A 30 11.692 11.787 0.807 1.00 1.00 C ATOM 445 C ASN A 30 10.822 12.259 -0.367 1.00 1.00 C ATOM 446 O ASN A 30 11.277 12.493 -1.469 1.00 1.00 O ATOM 447 CB ASN A 30 13.161 11.516 0.377 1.00 1.00 C ATOM 448 CG ASN A 30 13.906 12.835 0.099 1.00 1.00 C ATOM 449 OD1 ASN A 30 14.919 13.151 0.858 1.00 1.00 O flip ATOM 450 ND2 ASN A 30 13.585 13.586 -0.792 1.00 1.00 N flip ATOM 0 H ASN A 30 11.374 10.391 2.369 1.00 1.00 H new ATOM 0 HA ASN A 30 11.669 12.590 1.543 1.00 1.00 H new ATOM 0 HB2 ASN A 30 13.677 10.961 1.161 1.00 1.00 H new ATOM 0 HB3 ASN A 30 13.173 10.892 -0.517 1.00 1.00 H new ATOM 0 HD21 ASN A 30 12.795 13.354 -1.395 1.00 1.00 H new ATOM 0 HD22 ASN A 30 14.104 14.451 -0.941 1.00 1.00 H new ATOM 457 N GLY A 31 9.557 12.365 -0.045 1.00 1.00 N ATOM 458 CA GLY A 31 8.536 12.804 -1.028 1.00 1.00 C ATOM 459 C GLY A 31 7.339 11.894 -1.209 1.00 1.00 C ATOM 460 O GLY A 31 6.256 12.416 -1.334 1.00 1.00 O ATOM 0 H GLY A 31 9.187 12.159 0.883 1.00 1.00 H new ATOM 0 HA2 GLY A 31 8.175 13.788 -0.729 1.00 1.00 H new ATOM 0 HA3 GLY A 31 9.023 12.924 -1.996 1.00 1.00 H new ATOM 464 N LYS A 32 7.489 10.596 -1.234 1.00 1.00 N ATOM 465 CA LYS A 32 6.309 9.732 -1.411 1.00 1.00 C ATOM 466 C LYS A 32 6.052 8.840 -0.210 1.00 1.00 C ATOM 467 O LYS A 32 6.932 8.386 0.477 1.00 1.00 O ATOM 468 CB LYS A 32 6.531 8.886 -2.583 1.00 1.00 C ATOM 469 CG LYS A 32 6.616 9.666 -3.911 1.00 1.00 C ATOM 470 CD LYS A 32 5.267 10.376 -4.190 1.00 1.00 C ATOM 471 CE LYS A 32 5.277 11.043 -5.568 1.00 1.00 C ATOM 472 NZ LYS A 32 3.970 11.724 -5.797 1.00 1.00 N ATOM 0 H LYS A 32 8.379 10.107 -1.139 1.00 1.00 H new ATOM 0 HA LYS A 32 5.438 10.376 -1.533 1.00 1.00 H new ATOM 0 HB2 LYS A 32 7.455 8.324 -2.443 1.00 1.00 H new ATOM 0 HB3 LYS A 32 5.722 8.158 -2.652 1.00 1.00 H new ATOM 0 HG2 LYS A 32 7.420 10.400 -3.861 1.00 1.00 H new ATOM 0 HG3 LYS A 32 6.855 8.986 -4.728 1.00 1.00 H new ATOM 0 HD2 LYS A 32 4.453 9.653 -4.137 1.00 1.00 H new ATOM 0 HD3 LYS A 32 5.079 11.125 -3.420 1.00 1.00 H new ATOM 0 HE2 LYS A 32 6.092 11.765 -5.629 1.00 1.00 H new ATOM 0 HE3 LYS A 32 5.452 10.298 -6.344 1.00 1.00 H new ATOM 0 HZ1 LYS A 32 3.407 11.175 -6.478 1.00 1.00 H new ATOM 0 HZ2 LYS A 32 3.453 11.794 -4.897 1.00 1.00 H new ATOM 0 HZ3 LYS A 32 4.137 12.678 -6.176 1.00 1.00 H new ATOM 486 N CYS A 33 4.787 8.628 -0.057 1.00 1.00 N ATOM 487 CA CYS A 33 4.253 7.795 1.046 1.00 1.00 C ATOM 488 C CYS A 33 4.494 6.282 0.932 1.00 1.00 C ATOM 489 O CYS A 33 4.673 5.722 -0.122 1.00 1.00 O ATOM 490 CB CYS A 33 2.762 8.143 1.142 1.00 1.00 C ATOM 491 SG CYS A 33 1.662 7.235 2.252 1.00 1.00 S ATOM 0 H CYS A 33 4.071 9.012 -0.674 1.00 1.00 H new ATOM 0 HA CYS A 33 4.801 8.031 1.958 1.00 1.00 H new ATOM 0 HB2 CYS A 33 2.697 9.195 1.419 1.00 1.00 H new ATOM 0 HB3 CYS A 33 2.348 8.052 0.138 1.00 1.00 H new ATOM 496 N ARG A 34 4.474 5.714 2.105 1.00 1.00 N ATOM 497 CA ARG A 34 4.667 4.272 2.393 1.00 1.00 C ATOM 498 C ARG A 34 3.505 3.877 3.297 1.00 1.00 C ATOM 499 O ARG A 34 3.087 4.655 4.124 1.00 1.00 O ATOM 500 CB ARG A 34 5.979 4.084 3.140 1.00 1.00 C ATOM 501 CG ARG A 34 6.160 2.625 3.654 1.00 1.00 C ATOM 502 CD ARG A 34 6.447 1.675 2.480 1.00 1.00 C ATOM 503 NE ARG A 34 6.302 0.275 2.975 1.00 1.00 N ATOM 504 CZ ARG A 34 7.301 -0.552 2.887 1.00 1.00 C ATOM 505 NH1 ARG A 34 8.266 -0.475 3.761 1.00 1.00 N ATOM 506 NH2 ARG A 34 7.298 -1.432 1.925 1.00 1.00 N ATOM 0 H ARG A 34 4.315 6.256 2.954 1.00 1.00 H new ATOM 0 HA ARG A 34 4.698 3.670 1.485 1.00 1.00 H new ATOM 0 HB2 ARG A 34 6.809 4.341 2.483 1.00 1.00 H new ATOM 0 HB3 ARG A 34 6.016 4.772 3.985 1.00 1.00 H new ATOM 0 HG2 ARG A 34 6.979 2.585 4.372 1.00 1.00 H new ATOM 0 HG3 ARG A 34 5.260 2.303 4.179 1.00 1.00 H new ATOM 0 HD2 ARG A 34 5.755 1.863 1.659 1.00 1.00 H new ATOM 0 HD3 ARG A 34 7.452 1.840 2.093 1.00 1.00 H new ATOM 0 HE ARG A 34 5.419 -0.033 3.382 1.00 1.00 H new ATOM 0 HH11 ARG A 34 8.230 0.227 4.500 1.00 1.00 H new ATOM 0 HH12 ARG A 34 9.057 -1.117 3.705 1.00 1.00 H new ATOM 0 HH21 ARG A 34 6.523 -1.461 1.262 1.00 1.00 H new ATOM 0 HH22 ARG A 34 8.071 -2.092 1.835 1.00 1.00 H new ATOM 520 N CYS A 35 3.024 2.683 3.131 1.00 1.00 N ATOM 521 CA CYS A 35 1.909 2.172 3.938 1.00 1.00 C ATOM 522 C CYS A 35 2.461 1.012 4.756 1.00 1.00 C ATOM 523 O CYS A 35 3.520 0.489 4.459 1.00 1.00 O ATOM 524 CB CYS A 35 0.815 1.684 3.018 1.00 1.00 C ATOM 525 SG CYS A 35 -0.063 2.859 1.967 1.00 1.00 S ATOM 0 H CYS A 35 3.378 2.021 2.440 1.00 1.00 H new ATOM 0 HA CYS A 35 1.493 2.942 4.588 1.00 1.00 H new ATOM 0 HB2 CYS A 35 1.252 0.928 2.366 1.00 1.00 H new ATOM 0 HB3 CYS A 35 0.071 1.181 3.636 1.00 1.00 H new ATOM 530 N TYR A 36 1.720 0.644 5.762 1.00 1.00 N ATOM 531 CA TYR A 36 2.152 -0.475 6.635 1.00 1.00 C ATOM 532 C TYR A 36 1.169 -1.642 6.440 1.00 1.00 C ATOM 533 O TYR A 36 0.239 -1.549 5.661 1.00 1.00 O ATOM 534 CB TYR A 36 2.134 -0.041 8.098 1.00 1.00 C ATOM 535 CG TYR A 36 3.231 0.955 8.546 1.00 1.00 C ATOM 536 CD1 TYR A 36 4.557 0.885 8.164 1.00 1.00 C ATOM 537 CD2 TYR A 36 2.841 1.934 9.430 1.00 1.00 C ATOM 538 CE1 TYR A 36 5.467 1.788 8.680 1.00 1.00 C ATOM 539 CE2 TYR A 36 3.740 2.828 9.941 1.00 1.00 C ATOM 540 CZ TYR A 36 5.058 2.763 9.574 1.00 1.00 C ATOM 541 OH TYR A 36 5.934 3.661 10.149 1.00 1.00 O ATOM 0 H TYR A 36 0.830 1.073 6.016 1.00 1.00 H new ATOM 0 HA TYR A 36 3.166 -0.776 6.373 1.00 1.00 H new ATOM 0 HB2 TYR A 36 1.163 0.407 8.307 1.00 1.00 H new ATOM 0 HB3 TYR A 36 2.213 -0.934 8.718 1.00 1.00 H new ATOM 0 HD1 TYR A 36 4.881 0.128 7.465 1.00 1.00 H new ATOM 0 HD2 TYR A 36 1.804 1.998 9.726 1.00 1.00 H new ATOM 0 HE1 TYR A 36 6.504 1.733 8.384 1.00 1.00 H new ATOM 0 HE2 TYR A 36 3.410 3.587 10.635 1.00 1.00 H new ATOM 0 HH TYR A 36 5.441 4.262 10.746 1.00 1.00 H new ATOM 551 N SER A 37 1.417 -2.708 7.162 1.00 1.00 N ATOM 552 CA SER A 37 0.554 -3.929 7.087 1.00 1.00 C ATOM 553 C SER A 37 -0.085 -4.208 8.460 1.00 1.00 C ATOM 554 O SER A 37 -1.298 -4.340 8.467 1.00 1.00 O ATOM 555 CB SER A 37 1.434 -5.120 6.635 1.00 1.00 C ATOM 556 OG SER A 37 2.504 -5.181 7.570 1.00 1.00 O ATOM 557 OXT SER A 37 0.653 -4.276 9.424 1.00 1.00 O ATOM 0 H SER A 37 2.198 -2.784 7.814 1.00 1.00 H new ATOM 0 HA SER A 37 -0.252 -3.780 6.369 1.00 1.00 H new ATOM 0 HB2 SER A 37 0.864 -6.049 6.630 1.00 1.00 H new ATOM 0 HB3 SER A 37 1.807 -4.970 5.622 1.00 1.00 H new ATOM 0 HG SER A 37 2.202 -4.834 8.435 1.00 1.00 H new