USER MOD reduce.3.24.130724 H: found=0, std=0, add=269, rem=0, adj=10 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 -60:sc= -0.0706 USER MOD Single : A 6 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 8 THR OG1 : rot 180:sc= 0 USER MOD Single : A 10 SER OG : rot 180:sc= 0.00215 USER MOD Single : A 11 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 12 GLN : amide:sc= -2.42 K(o=-2.4,f=-5.2!) USER MOD Single : A 18 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 19 GLN : amide:sc= -0.331 K(o=-0.33,f=-1.5) USER MOD Single : A 20 MET CE :methyl -174:sc= -0.251 (180deg=-0.282) USER MOD Single : A 23 LYS NZ :NH3+ 149:sc= 1.92 (180deg=1.82) USER MOD Single : A 25 ASN :FLIP amide:sc= 0.787 F(o=0,f=0.79) USER MOD Single : A 27 LYS NZ :NH3+ 163:sc= -0.083 (180deg=-0.399) USER MOD Single : A 29 MET CE :methyl 139:sc= -0.0849 (180deg=-1.11) USER MOD Single : A 30 ASN : amide:sc= -0.246 X(o=-0.25,f=-0.25) USER MOD Single : A 32 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 36 TYR OH : rot 180:sc= -2.24! USER MOD Single : A 37 SER OG : rot 180:sc= 0 USER MOD ----------------------------------------------------------------- ATOM 15 N PHE A 2 4.617 1.183 -1.122 1.00 1.00 N ATOM 16 CA PHE A 2 4.805 2.507 -1.739 1.00 1.00 C ATOM 17 C PHE A 2 3.486 3.137 -2.223 1.00 1.00 C ATOM 18 O PHE A 2 2.467 2.476 -2.283 1.00 1.00 O ATOM 19 CB PHE A 2 5.786 2.269 -2.870 1.00 1.00 C ATOM 20 CG PHE A 2 5.100 1.627 -4.092 1.00 1.00 C ATOM 21 CD1 PHE A 2 4.679 0.308 -4.071 1.00 1.00 C ATOM 22 CD2 PHE A 2 4.888 2.379 -5.234 1.00 1.00 C ATOM 23 CE1 PHE A 2 4.058 -0.238 -5.172 1.00 1.00 C ATOM 24 CE2 PHE A 2 4.267 1.826 -6.334 1.00 1.00 C ATOM 25 CZ PHE A 2 3.852 0.512 -6.304 1.00 1.00 C ATOM 0 HA PHE A 2 5.183 3.233 -1.019 1.00 1.00 H new ATOM 0 HB2 PHE A 2 6.241 3.215 -3.163 1.00 1.00 H new ATOM 0 HB3 PHE A 2 6.592 1.622 -2.523 1.00 1.00 H new ATOM 0 HD1 PHE A 2 4.838 -0.294 -3.189 1.00 1.00 H new ATOM 0 HD2 PHE A 2 5.212 3.409 -5.264 1.00 1.00 H new ATOM 0 HE1 PHE A 2 3.730 -1.266 -5.145 1.00 1.00 H new ATOM 0 HE2 PHE A 2 4.106 2.423 -7.220 1.00 1.00 H new ATOM 0 HZ PHE A 2 3.368 0.075 -7.165 1.00 1.00 H new ATOM 35 N THR A 3 3.564 4.401 -2.556 1.00 1.00 N ATOM 36 CA THR A 3 2.360 5.145 -3.045 1.00 1.00 C ATOM 37 C THR A 3 2.642 5.926 -4.331 1.00 1.00 C ATOM 38 O THR A 3 3.736 5.915 -4.862 1.00 1.00 O ATOM 39 CB THR A 3 1.887 6.124 -1.952 1.00 1.00 C ATOM 40 OG1 THR A 3 3.008 6.973 -1.748 1.00 1.00 O ATOM 41 CG2 THR A 3 1.642 5.401 -0.611 1.00 1.00 C ATOM 0 H THR A 3 4.419 4.956 -2.510 1.00 1.00 H new ATOM 0 HA THR A 3 1.587 4.409 -3.267 1.00 1.00 H new ATOM 0 HB THR A 3 0.965 6.622 -2.251 1.00 1.00 H new ATOM 0 HG1 THR A 3 3.774 6.438 -1.452 1.00 1.00 H new ATOM 0 HG21 THR A 3 1.310 6.122 0.136 1.00 1.00 H new ATOM 0 HG22 THR A 3 0.876 4.637 -0.744 1.00 1.00 H new ATOM 0 HG23 THR A 3 2.567 4.932 -0.276 1.00 1.00 H new ATOM 49 N ASP A 4 1.602 6.582 -4.771 1.00 1.00 N ATOM 50 CA ASP A 4 1.583 7.417 -5.979 1.00 1.00 C ATOM 51 C ASP A 4 1.306 8.883 -5.578 1.00 1.00 C ATOM 52 O ASP A 4 1.327 9.760 -6.421 1.00 1.00 O ATOM 53 CB ASP A 4 0.494 6.834 -6.878 1.00 1.00 C ATOM 54 CG ASP A 4 -0.673 6.224 -6.085 1.00 1.00 C ATOM 55 OD1 ASP A 4 -1.400 7.007 -5.498 1.00 1.00 O ATOM 56 OD2 ASP A 4 -0.771 5.008 -6.106 1.00 1.00 O ATOM 0 H ASP A 4 0.702 6.560 -4.291 1.00 1.00 H new ATOM 0 HA ASP A 4 2.533 7.418 -6.513 1.00 1.00 H new ATOM 0 HB2 ASP A 4 0.112 7.618 -7.532 1.00 1.00 H new ATOM 0 HB3 ASP A 4 0.931 6.068 -7.519 1.00 1.00 H new ATOM 61 N VAL A 5 1.056 9.097 -4.306 1.00 1.00 N ATOM 62 CA VAL A 5 0.775 10.474 -3.780 1.00 1.00 C ATOM 63 C VAL A 5 1.958 10.865 -2.884 1.00 1.00 C ATOM 64 O VAL A 5 2.493 10.047 -2.160 1.00 1.00 O ATOM 65 CB VAL A 5 -0.529 10.469 -2.947 1.00 1.00 C ATOM 66 CG1 VAL A 5 -0.826 11.895 -2.417 1.00 1.00 C ATOM 67 CG2 VAL A 5 -1.711 10.021 -3.823 1.00 1.00 C ATOM 0 H VAL A 5 1.035 8.363 -3.598 1.00 1.00 H new ATOM 0 HA VAL A 5 0.652 11.182 -4.600 1.00 1.00 H new ATOM 0 HB VAL A 5 -0.401 9.780 -2.112 1.00 1.00 H new ATOM 0 HG11 VAL A 5 -1.746 11.882 -1.832 1.00 1.00 H new ATOM 0 HG12 VAL A 5 -0.001 12.229 -1.788 1.00 1.00 H new ATOM 0 HG13 VAL A 5 -0.941 12.579 -3.258 1.00 1.00 H new ATOM 0 HG21 VAL A 5 -2.625 10.020 -3.229 1.00 1.00 H new ATOM 0 HG22 VAL A 5 -1.824 10.709 -4.661 1.00 1.00 H new ATOM 0 HG23 VAL A 5 -1.523 9.016 -4.201 1.00 1.00 H new ATOM 77 N LYS A 6 2.320 12.121 -2.969 1.00 1.00 N ATOM 78 CA LYS A 6 3.460 12.649 -2.161 1.00 1.00 C ATOM 79 C LYS A 6 3.217 12.790 -0.648 1.00 1.00 C ATOM 80 O LYS A 6 2.094 12.703 -0.186 1.00 1.00 O ATOM 81 CB LYS A 6 3.865 14.023 -2.737 1.00 1.00 C ATOM 82 CG LYS A 6 4.384 13.845 -4.186 1.00 1.00 C ATOM 83 CD LYS A 6 4.816 15.204 -4.789 1.00 1.00 C ATOM 84 CE LYS A 6 6.034 15.782 -4.037 1.00 1.00 C ATOM 85 NZ LYS A 6 6.465 17.056 -4.679 1.00 1.00 N ATOM 0 H LYS A 6 1.868 12.810 -3.571 1.00 1.00 H new ATOM 0 HA LYS A 6 4.247 11.899 -2.244 1.00 1.00 H new ATOM 0 HB2 LYS A 6 3.010 14.700 -2.726 1.00 1.00 H new ATOM 0 HB3 LYS A 6 4.638 14.476 -2.116 1.00 1.00 H new ATOM 0 HG2 LYS A 6 5.228 13.155 -4.192 1.00 1.00 H new ATOM 0 HG3 LYS A 6 3.604 13.400 -4.804 1.00 1.00 H new ATOM 0 HD2 LYS A 6 5.062 15.076 -5.843 1.00 1.00 H new ATOM 0 HD3 LYS A 6 3.986 15.908 -4.739 1.00 1.00 H new ATOM 0 HE2 LYS A 6 5.778 15.959 -2.992 1.00 1.00 H new ATOM 0 HE3 LYS A 6 6.854 15.064 -4.047 1.00 1.00 H new ATOM 0 HZ1 LYS A 6 7.285 17.441 -4.169 1.00 1.00 H new ATOM 0 HZ2 LYS A 6 6.727 16.875 -5.669 1.00 1.00 H new ATOM 0 HZ3 LYS A 6 5.684 17.742 -4.647 1.00 1.00 H new ATOM 99 N CYS A 7 4.301 13.003 0.056 1.00 1.00 N ATOM 100 CA CYS A 7 4.246 13.173 1.543 1.00 1.00 C ATOM 101 C CYS A 7 5.189 14.287 1.992 1.00 1.00 C ATOM 102 O CYS A 7 5.901 14.887 1.207 1.00 1.00 O ATOM 103 CB CYS A 7 4.668 11.873 2.258 1.00 1.00 C ATOM 104 SG CYS A 7 6.271 11.156 1.825 1.00 1.00 S ATOM 0 H CYS A 7 5.238 13.067 -0.343 1.00 1.00 H new ATOM 0 HA CYS A 7 3.218 13.424 1.804 1.00 1.00 H new ATOM 0 HB2 CYS A 7 4.665 12.065 3.331 1.00 1.00 H new ATOM 0 HB3 CYS A 7 3.902 11.121 2.067 1.00 1.00 H new ATOM 109 N THR A 8 5.133 14.503 3.278 1.00 1.00 N ATOM 110 CA THR A 8 5.926 15.500 3.993 1.00 1.00 C ATOM 111 C THR A 8 6.683 14.708 5.061 1.00 1.00 C ATOM 112 O THR A 8 7.885 14.828 5.206 1.00 1.00 O ATOM 113 CB THR A 8 4.986 16.542 4.631 1.00 1.00 C ATOM 114 OG1 THR A 8 4.266 17.089 3.535 1.00 1.00 O ATOM 115 CG2 THR A 8 5.779 17.734 5.197 1.00 1.00 C ATOM 0 H THR A 8 4.513 13.975 3.892 1.00 1.00 H new ATOM 0 HA THR A 8 6.611 16.046 3.345 1.00 1.00 H new ATOM 0 HB THR A 8 4.391 16.077 5.417 1.00 1.00 H new ATOM 0 HG1 THR A 8 3.638 17.767 3.862 1.00 1.00 H new ATOM 0 HG21 THR A 8 5.089 18.452 5.640 1.00 1.00 H new ATOM 0 HG22 THR A 8 6.474 17.380 5.959 1.00 1.00 H new ATOM 0 HG23 THR A 8 6.336 18.215 4.393 1.00 1.00 H new ATOM 123 N GLY A 9 5.920 13.916 5.772 1.00 1.00 N ATOM 124 CA GLY A 9 6.464 13.056 6.865 1.00 1.00 C ATOM 125 C GLY A 9 5.555 11.835 7.023 1.00 1.00 C ATOM 126 O GLY A 9 4.471 11.810 6.471 1.00 1.00 O ATOM 0 H GLY A 9 4.913 13.829 5.635 1.00 1.00 H new ATOM 0 HA2 GLY A 9 7.481 12.743 6.629 1.00 1.00 H new ATOM 0 HA3 GLY A 9 6.511 13.616 7.799 1.00 1.00 H new ATOM 130 N SER A 10 6.018 10.857 7.766 1.00 1.00 N ATOM 131 CA SER A 10 5.239 9.615 8.010 1.00 1.00 C ATOM 132 C SER A 10 3.784 9.964 8.383 1.00 1.00 C ATOM 133 O SER A 10 2.846 9.521 7.753 1.00 1.00 O ATOM 134 CB SER A 10 5.925 8.858 9.129 1.00 1.00 C ATOM 135 OG SER A 10 7.220 8.570 8.617 1.00 1.00 O ATOM 0 H SER A 10 6.930 10.876 8.223 1.00 1.00 H new ATOM 0 HA SER A 10 5.202 8.997 7.113 1.00 1.00 H new ATOM 0 HB2 SER A 10 5.981 9.457 10.038 1.00 1.00 H new ATOM 0 HB3 SER A 10 5.385 7.945 9.381 1.00 1.00 H new ATOM 0 HG SER A 10 7.735 8.077 9.289 1.00 1.00 H new ATOM 141 N LYS A 11 3.668 10.760 9.417 1.00 1.00 N ATOM 142 CA LYS A 11 2.355 11.230 9.947 1.00 1.00 C ATOM 143 C LYS A 11 1.427 11.778 8.846 1.00 1.00 C ATOM 144 O LYS A 11 0.234 11.548 8.865 1.00 1.00 O ATOM 145 CB LYS A 11 2.662 12.303 11.008 1.00 1.00 C ATOM 146 CG LYS A 11 3.452 13.493 10.401 1.00 1.00 C ATOM 147 CD LYS A 11 3.791 14.503 11.513 1.00 1.00 C ATOM 148 CE LYS A 11 4.574 15.680 10.907 1.00 1.00 C ATOM 149 NZ LYS A 11 4.908 16.670 11.969 1.00 1.00 N ATOM 0 H LYS A 11 4.470 11.118 9.937 1.00 1.00 H new ATOM 0 HA LYS A 11 1.812 10.390 10.381 1.00 1.00 H new ATOM 0 HB2 LYS A 11 1.730 12.666 11.440 1.00 1.00 H new ATOM 0 HB3 LYS A 11 3.238 11.859 11.820 1.00 1.00 H new ATOM 0 HG2 LYS A 11 4.367 13.134 9.930 1.00 1.00 H new ATOM 0 HG3 LYS A 11 2.861 13.977 9.623 1.00 1.00 H new ATOM 0 HD2 LYS A 11 2.877 14.863 11.984 1.00 1.00 H new ATOM 0 HD3 LYS A 11 4.382 14.020 12.291 1.00 1.00 H new ATOM 0 HE2 LYS A 11 5.488 15.316 10.437 1.00 1.00 H new ATOM 0 HE3 LYS A 11 3.982 16.158 10.126 1.00 1.00 H new ATOM 0 HZ1 LYS A 11 5.437 17.462 11.551 1.00 1.00 H new ATOM 0 HZ2 LYS A 11 4.031 17.028 12.398 1.00 1.00 H new ATOM 0 HZ3 LYS A 11 5.490 16.212 12.700 1.00 1.00 H new ATOM 163 N GLN A 12 2.012 12.495 7.923 1.00 1.00 N ATOM 164 CA GLN A 12 1.251 13.096 6.783 1.00 1.00 C ATOM 165 C GLN A 12 0.796 11.982 5.814 1.00 1.00 C ATOM 166 O GLN A 12 -0.261 12.015 5.226 1.00 1.00 O ATOM 167 CB GLN A 12 2.169 14.088 6.110 1.00 1.00 C ATOM 168 CG GLN A 12 1.414 15.144 5.261 1.00 1.00 C ATOM 169 CD GLN A 12 0.701 14.499 4.065 1.00 1.00 C ATOM 170 OE1 GLN A 12 1.314 13.865 3.230 1.00 1.00 O ATOM 171 NE2 GLN A 12 -0.579 14.642 3.950 1.00 1.00 N ATOM 0 H GLN A 12 3.012 12.695 7.910 1.00 1.00 H new ATOM 0 HA GLN A 12 0.350 13.606 7.124 1.00 1.00 H new ATOM 0 HB2 GLN A 12 2.761 14.598 6.870 1.00 1.00 H new ATOM 0 HB3 GLN A 12 2.868 13.550 5.470 1.00 1.00 H new ATOM 0 HG2 GLN A 12 0.685 15.660 5.885 1.00 1.00 H new ATOM 0 HG3 GLN A 12 2.118 15.896 4.904 1.00 1.00 H new ATOM 0 HE21 GLN A 12 -1.098 15.174 4.649 1.00 1.00 H new ATOM 0 HE22 GLN A 12 -1.070 14.223 3.160 1.00 1.00 H new ATOM 180 N CYS A 13 1.653 11.004 5.701 1.00 1.00 N ATOM 181 CA CYS A 13 1.392 9.845 4.808 1.00 1.00 C ATOM 182 C CYS A 13 0.347 8.878 5.372 1.00 1.00 C ATOM 183 O CYS A 13 -0.118 8.013 4.659 1.00 1.00 O ATOM 184 CB CYS A 13 2.711 9.131 4.581 1.00 1.00 C ATOM 185 SG CYS A 13 2.630 7.452 3.924 1.00 1.00 S ATOM 0 H CYS A 13 2.541 10.961 6.202 1.00 1.00 H new ATOM 0 HA CYS A 13 0.977 10.214 3.870 1.00 1.00 H new ATOM 0 HB2 CYS A 13 3.310 9.734 3.898 1.00 1.00 H new ATOM 0 HB3 CYS A 13 3.246 9.098 5.530 1.00 1.00 H new ATOM 190 N TRP A 14 0.014 9.039 6.625 1.00 1.00 N ATOM 191 CA TRP A 14 -0.988 8.150 7.257 1.00 1.00 C ATOM 192 C TRP A 14 -2.378 8.378 6.597 1.00 1.00 C ATOM 193 O TRP A 14 -2.933 7.436 6.059 1.00 1.00 O ATOM 194 CB TRP A 14 -0.986 8.484 8.759 1.00 1.00 C ATOM 195 CG TRP A 14 0.040 7.632 9.519 1.00 1.00 C ATOM 196 CD1 TRP A 14 1.275 7.284 9.066 1.00 1.00 C ATOM 197 CD2 TRP A 14 -0.129 7.111 10.755 1.00 1.00 C ATOM 198 NE1 TRP A 14 1.771 6.573 10.058 1.00 1.00 N ATOM 199 CE2 TRP A 14 1.004 6.408 11.122 1.00 1.00 C ATOM 200 CE3 TRP A 14 -1.210 7.177 11.634 1.00 1.00 C ATOM 201 CZ2 TRP A 14 1.073 5.770 12.356 1.00 1.00 C ATOM 202 CZ3 TRP A 14 -1.145 6.539 12.871 1.00 1.00 C ATOM 203 CH2 TRP A 14 0.000 5.836 13.232 1.00 1.00 C ATOM 0 H TRP A 14 0.400 9.757 7.238 1.00 1.00 H new ATOM 0 HA TRP A 14 -0.752 7.095 7.120 1.00 1.00 H new ATOM 0 HB2 TRP A 14 -0.759 9.541 8.898 1.00 1.00 H new ATOM 0 HB3 TRP A 14 -1.980 8.315 9.173 1.00 1.00 H new ATOM 0 HD1 TRP A 14 1.737 7.531 8.122 1.00 1.00 H new ATOM 0 HE1 TRP A 14 2.706 6.168 10.007 1.00 1.00 H new ATOM 0 HE3 TRP A 14 -2.099 7.724 11.355 1.00 1.00 H new ATOM 0 HZ2 TRP A 14 1.962 5.223 12.632 1.00 1.00 H new ATOM 0 HZ3 TRP A 14 -1.984 6.590 13.550 1.00 1.00 H new ATOM 0 HH2 TRP A 14 0.053 5.343 14.192 1.00 1.00 H new ATOM 214 N PRO A 15 -2.909 9.587 6.631 1.00 1.00 N ATOM 215 CA PRO A 15 -4.164 9.931 5.910 1.00 1.00 C ATOM 216 C PRO A 15 -3.986 9.731 4.399 1.00 1.00 C ATOM 217 O PRO A 15 -4.874 9.205 3.761 1.00 1.00 O ATOM 218 CB PRO A 15 -4.455 11.383 6.311 1.00 1.00 C ATOM 219 CG PRO A 15 -3.050 11.942 6.591 1.00 1.00 C ATOM 220 CD PRO A 15 -2.375 10.784 7.344 1.00 1.00 C ATOM 0 HA PRO A 15 -5.007 9.291 6.171 1.00 1.00 H new ATOM 0 HB2 PRO A 15 -4.958 11.931 5.514 1.00 1.00 H new ATOM 0 HB3 PRO A 15 -5.097 11.440 7.190 1.00 1.00 H new ATOM 0 HG2 PRO A 15 -2.521 12.190 5.671 1.00 1.00 H new ATOM 0 HG3 PRO A 15 -3.087 12.850 7.192 1.00 1.00 H new ATOM 0 HD2 PRO A 15 -1.288 10.840 7.286 1.00 1.00 H new ATOM 0 HD3 PRO A 15 -2.638 10.778 8.402 1.00 1.00 H new ATOM 228 N VAL A 16 -2.861 10.152 3.864 1.00 1.00 N ATOM 229 CA VAL A 16 -2.635 9.973 2.391 1.00 1.00 C ATOM 230 C VAL A 16 -2.800 8.504 1.987 1.00 1.00 C ATOM 231 O VAL A 16 -3.429 8.207 0.991 1.00 1.00 O ATOM 232 CB VAL A 16 -1.238 10.470 2.049 1.00 1.00 C ATOM 233 CG1 VAL A 16 -0.824 10.104 0.601 1.00 1.00 C ATOM 234 CG2 VAL A 16 -1.189 12.002 2.192 1.00 1.00 C ATOM 0 H VAL A 16 -2.102 10.604 4.373 1.00 1.00 H new ATOM 0 HA VAL A 16 -3.376 10.549 1.837 1.00 1.00 H new ATOM 0 HB VAL A 16 -0.546 9.987 2.738 1.00 1.00 H new ATOM 0 HG11 VAL A 16 0.180 10.480 0.404 1.00 1.00 H new ATOM 0 HG12 VAL A 16 -0.836 9.021 0.482 1.00 1.00 H new ATOM 0 HG13 VAL A 16 -1.525 10.554 -0.102 1.00 1.00 H new ATOM 0 HG21 VAL A 16 -0.188 12.358 1.947 1.00 1.00 H new ATOM 0 HG22 VAL A 16 -1.912 12.454 1.513 1.00 1.00 H new ATOM 0 HG23 VAL A 16 -1.432 12.280 3.218 1.00 1.00 H new ATOM 244 N CYS A 17 -2.232 7.631 2.783 1.00 1.00 N ATOM 245 CA CYS A 17 -2.337 6.174 2.479 1.00 1.00 C ATOM 246 C CYS A 17 -3.778 5.731 2.720 1.00 1.00 C ATOM 247 O CYS A 17 -4.317 4.967 1.944 1.00 1.00 O ATOM 248 CB CYS A 17 -1.423 5.343 3.387 1.00 1.00 C ATOM 249 SG CYS A 17 -1.580 3.568 3.082 1.00 1.00 S ATOM 0 H CYS A 17 -1.704 7.864 3.624 1.00 1.00 H new ATOM 0 HA CYS A 17 -2.036 6.017 1.443 1.00 1.00 H new ATOM 0 HB2 CYS A 17 -0.388 5.646 3.231 1.00 1.00 H new ATOM 0 HB3 CYS A 17 -1.663 5.553 4.429 1.00 1.00 H new ATOM 254 N LYS A 18 -4.358 6.221 3.792 1.00 1.00 N ATOM 255 CA LYS A 18 -5.774 5.867 4.136 1.00 1.00 C ATOM 256 C LYS A 18 -6.646 6.089 2.885 1.00 1.00 C ATOM 257 O LYS A 18 -7.488 5.288 2.535 1.00 1.00 O ATOM 258 CB LYS A 18 -6.263 6.779 5.280 1.00 1.00 C ATOM 259 CG LYS A 18 -7.615 6.317 5.794 1.00 1.00 C ATOM 260 CD LYS A 18 -8.097 7.195 6.976 1.00 1.00 C ATOM 261 CE LYS A 18 -8.351 8.650 6.522 1.00 1.00 C ATOM 262 NZ LYS A 18 -8.867 9.453 7.668 1.00 1.00 N ATOM 0 H LYS A 18 -3.906 6.857 4.449 1.00 1.00 H new ATOM 0 HA LYS A 18 -5.840 4.827 4.457 1.00 1.00 H new ATOM 0 HB2 LYS A 18 -5.537 6.771 6.093 1.00 1.00 H new ATOM 0 HB3 LYS A 18 -6.335 7.808 4.926 1.00 1.00 H new ATOM 0 HG2 LYS A 18 -8.346 6.357 4.987 1.00 1.00 H new ATOM 0 HG3 LYS A 18 -7.549 5.277 6.114 1.00 1.00 H new ATOM 0 HD2 LYS A 18 -9.012 6.776 7.394 1.00 1.00 H new ATOM 0 HD3 LYS A 18 -7.350 7.184 7.770 1.00 1.00 H new ATOM 0 HE2 LYS A 18 -7.428 9.089 6.144 1.00 1.00 H new ATOM 0 HE3 LYS A 18 -9.070 8.665 5.703 1.00 1.00 H new ATOM 0 HZ1 LYS A 18 -9.036 10.431 7.358 1.00 1.00 H new ATOM 0 HZ2 LYS A 18 -9.758 9.039 8.009 1.00 1.00 H new ATOM 0 HZ3 LYS A 18 -8.167 9.450 8.437 1.00 1.00 H new ATOM 276 N GLN A 19 -6.381 7.207 2.260 1.00 1.00 N ATOM 277 CA GLN A 19 -7.119 7.609 1.025 1.00 1.00 C ATOM 278 C GLN A 19 -6.765 6.754 -0.196 1.00 1.00 C ATOM 279 O GLN A 19 -7.639 6.215 -0.847 1.00 1.00 O ATOM 280 CB GLN A 19 -6.803 9.105 0.762 1.00 1.00 C ATOM 281 CG GLN A 19 -7.462 9.637 -0.532 1.00 1.00 C ATOM 282 CD GLN A 19 -8.995 9.549 -0.465 1.00 1.00 C ATOM 283 OE1 GLN A 19 -9.577 8.482 -0.455 1.00 1.00 O ATOM 284 NE2 GLN A 19 -9.686 10.654 -0.416 1.00 1.00 N ATOM 0 H GLN A 19 -5.669 7.872 2.561 1.00 1.00 H new ATOM 0 HA GLN A 19 -8.186 7.452 1.185 1.00 1.00 H new ATOM 0 HB2 GLN A 19 -7.146 9.699 1.610 1.00 1.00 H new ATOM 0 HB3 GLN A 19 -5.723 9.238 0.696 1.00 1.00 H new ATOM 0 HG2 GLN A 19 -7.163 10.673 -0.694 1.00 1.00 H new ATOM 0 HG3 GLN A 19 -7.101 9.064 -1.386 1.00 1.00 H new ATOM 0 HE21 GLN A 19 -9.208 11.555 -0.424 1.00 1.00 H new ATOM 0 HE22 GLN A 19 -10.704 10.617 -0.370 1.00 1.00 H new ATOM 293 N MET A 20 -5.490 6.661 -0.469 1.00 1.00 N ATOM 294 CA MET A 20 -4.937 5.907 -1.599 1.00 1.00 C ATOM 295 C MET A 20 -5.338 4.433 -1.660 1.00 1.00 C ATOM 296 O MET A 20 -5.876 3.964 -2.645 1.00 1.00 O ATOM 297 CB MET A 20 -3.420 6.064 -1.486 1.00 1.00 C ATOM 298 CG MET A 20 -2.831 5.745 -2.809 1.00 1.00 C ATOM 299 SD MET A 20 -1.053 5.431 -2.901 1.00 1.00 S ATOM 300 CE MET A 20 -1.111 3.649 -2.581 1.00 1.00 C ATOM 0 H MET A 20 -4.774 7.116 0.097 1.00 1.00 H new ATOM 0 HA MET A 20 -5.344 6.308 -2.527 1.00 1.00 H new ATOM 0 HB2 MET A 20 -3.162 7.080 -1.188 1.00 1.00 H new ATOM 0 HB3 MET A 20 -3.023 5.397 -0.720 1.00 1.00 H new ATOM 0 HG2 MET A 20 -3.345 4.866 -3.199 1.00 1.00 H new ATOM 0 HG3 MET A 20 -3.058 6.572 -3.482 1.00 1.00 H new ATOM 0 HE1 MET A 20 -0.096 3.263 -2.487 1.00 1.00 H new ATOM 0 HE2 MET A 20 -1.657 3.463 -1.656 1.00 1.00 H new ATOM 0 HE3 MET A 20 -1.615 3.147 -3.407 1.00 1.00 H new ATOM 310 N PHE A 21 -5.048 3.770 -0.574 1.00 1.00 N ATOM 311 CA PHE A 21 -5.348 2.306 -0.446 1.00 1.00 C ATOM 312 C PHE A 21 -6.370 1.998 0.650 1.00 1.00 C ATOM 313 O PHE A 21 -7.393 1.397 0.382 1.00 1.00 O ATOM 314 CB PHE A 21 -3.997 1.611 -0.177 1.00 1.00 C ATOM 315 CG PHE A 21 -4.031 0.110 -0.520 1.00 1.00 C ATOM 316 CD1 PHE A 21 -4.866 -0.770 0.129 1.00 1.00 C ATOM 317 CD2 PHE A 21 -3.192 -0.363 -1.511 1.00 1.00 C ATOM 318 CE1 PHE A 21 -4.859 -2.109 -0.194 1.00 1.00 C ATOM 319 CE2 PHE A 21 -3.184 -1.702 -1.839 1.00 1.00 C ATOM 320 CZ PHE A 21 -4.019 -2.575 -1.180 1.00 1.00 C ATOM 0 H PHE A 21 -4.608 4.185 0.247 1.00 1.00 H new ATOM 0 HA PHE A 21 -5.811 1.937 -1.361 1.00 1.00 H new ATOM 0 HB2 PHE A 21 -3.218 2.098 -0.764 1.00 1.00 H new ATOM 0 HB3 PHE A 21 -3.730 1.735 0.872 1.00 1.00 H new ATOM 0 HD1 PHE A 21 -5.532 -0.408 0.898 1.00 1.00 H new ATOM 0 HD2 PHE A 21 -2.538 0.321 -2.032 1.00 1.00 H new ATOM 0 HE1 PHE A 21 -5.513 -2.793 0.326 1.00 1.00 H new ATOM 0 HE2 PHE A 21 -2.523 -2.065 -2.612 1.00 1.00 H new ATOM 0 HZ PHE A 21 -4.015 -3.624 -1.436 1.00 1.00 H new ATOM 330 N GLY A 22 -6.065 2.418 1.853 1.00 1.00 N ATOM 331 CA GLY A 22 -6.963 2.185 3.020 1.00 1.00 C ATOM 332 C GLY A 22 -6.204 1.581 4.204 1.00 1.00 C ATOM 333 O GLY A 22 -6.701 0.711 4.891 1.00 1.00 O ATOM 0 H GLY A 22 -5.209 2.925 2.077 1.00 1.00 H new ATOM 0 HA2 GLY A 22 -7.419 3.128 3.322 1.00 1.00 H new ATOM 0 HA3 GLY A 22 -7.774 1.517 2.728 1.00 1.00 H new ATOM 337 N LYS A 23 -5.010 2.083 4.388 1.00 1.00 N ATOM 338 CA LYS A 23 -4.112 1.634 5.494 1.00 1.00 C ATOM 339 C LYS A 23 -3.652 2.921 6.200 1.00 1.00 C ATOM 340 O LYS A 23 -2.661 3.503 5.802 1.00 1.00 O ATOM 341 CB LYS A 23 -2.894 0.860 4.925 1.00 1.00 C ATOM 342 CG LYS A 23 -3.328 -0.548 4.452 1.00 1.00 C ATOM 343 CD LYS A 23 -3.264 -0.697 2.916 1.00 1.00 C ATOM 344 CE LYS A 23 -1.810 -0.551 2.430 1.00 1.00 C ATOM 345 NZ LYS A 23 -1.675 -1.008 1.020 1.00 1.00 N ATOM 0 H LYS A 23 -4.608 2.810 3.797 1.00 1.00 H new ATOM 0 HA LYS A 23 -4.623 0.959 6.180 1.00 1.00 H new ATOM 0 HB2 LYS A 23 -2.459 1.413 4.092 1.00 1.00 H new ATOM 0 HB3 LYS A 23 -2.121 0.773 5.688 1.00 1.00 H new ATOM 0 HG2 LYS A 23 -2.686 -1.298 4.914 1.00 1.00 H new ATOM 0 HG3 LYS A 23 -4.345 -0.745 4.792 1.00 1.00 H new ATOM 0 HD2 LYS A 23 -3.658 -1.669 2.620 1.00 1.00 H new ATOM 0 HD3 LYS A 23 -3.891 0.059 2.443 1.00 1.00 H new ATOM 0 HE2 LYS A 23 -1.498 0.490 2.511 1.00 1.00 H new ATOM 0 HE3 LYS A 23 -1.148 -1.133 3.071 1.00 1.00 H new ATOM 0 HZ1 LYS A 23 -0.925 -0.464 0.549 1.00 1.00 H new ATOM 0 HZ2 LYS A 23 -1.431 -2.019 1.005 1.00 1.00 H new ATOM 0 HZ3 LYS A 23 -2.575 -0.861 0.520 1.00 1.00 H new ATOM 359 N PRO A 24 -4.373 3.348 7.215 1.00 1.00 N ATOM 360 CA PRO A 24 -4.248 4.722 7.780 1.00 1.00 C ATOM 361 C PRO A 24 -2.882 5.013 8.416 1.00 1.00 C ATOM 362 O PRO A 24 -2.686 6.076 8.966 1.00 1.00 O ATOM 363 CB PRO A 24 -5.406 4.812 8.777 1.00 1.00 C ATOM 364 CG PRO A 24 -5.508 3.353 9.274 1.00 1.00 C ATOM 365 CD PRO A 24 -5.390 2.552 7.964 1.00 1.00 C ATOM 0 HA PRO A 24 -4.304 5.484 7.003 1.00 1.00 H new ATOM 0 HB2 PRO A 24 -5.193 5.507 9.589 1.00 1.00 H new ATOM 0 HB3 PRO A 24 -6.328 5.148 8.303 1.00 1.00 H new ATOM 0 HG2 PRO A 24 -4.711 3.106 9.975 1.00 1.00 H new ATOM 0 HG3 PRO A 24 -6.452 3.162 9.784 1.00 1.00 H new ATOM 0 HD2 PRO A 24 -5.061 1.528 8.138 1.00 1.00 H new ATOM 0 HD3 PRO A 24 -6.339 2.496 7.431 1.00 1.00 H new ATOM 373 N ASN A 25 -1.982 4.067 8.324 1.00 1.00 N ATOM 374 CA ASN A 25 -0.632 4.206 8.880 1.00 1.00 C ATOM 375 C ASN A 25 0.317 4.277 7.696 1.00 1.00 C ATOM 376 O ASN A 25 -0.088 4.252 6.551 1.00 1.00 O ATOM 377 CB ASN A 25 -0.410 2.993 9.734 1.00 1.00 C ATOM 378 CG ASN A 25 -1.559 2.823 10.737 1.00 1.00 C ATOM 379 OD1 ASN A 25 -2.308 1.757 10.662 1.00 1.00 O flip ATOM 380 ND2 ASN A 25 -1.786 3.656 11.591 1.00 1.00 N flip ATOM 0 H ASN A 25 -2.151 3.173 7.864 1.00 1.00 H new ATOM 0 HA ASN A 25 -0.479 5.095 9.492 1.00 1.00 H new ATOM 0 HB2 ASN A 25 -0.335 2.107 9.104 1.00 1.00 H new ATOM 0 HB3 ASN A 25 0.536 3.085 10.268 1.00 1.00 H new ATOM 0 HD21 ASN A 25 -1.205 4.492 11.656 1.00 1.00 H new ATOM 0 HD22 ASN A 25 -2.558 3.520 12.244 1.00 1.00 H new ATOM 387 N GLY A 26 1.578 4.363 8.014 1.00 1.00 N ATOM 388 CA GLY A 26 2.601 4.438 6.929 1.00 1.00 C ATOM 389 C GLY A 26 3.802 5.324 7.244 1.00 1.00 C ATOM 390 O GLY A 26 3.937 5.856 8.329 1.00 1.00 O ATOM 0 H GLY A 26 1.944 4.385 8.966 1.00 1.00 H new ATOM 0 HA2 GLY A 26 2.957 3.430 6.714 1.00 1.00 H new ATOM 0 HA3 GLY A 26 2.122 4.807 6.022 1.00 1.00 H new ATOM 394 N LYS A 27 4.636 5.433 6.244 1.00 1.00 N ATOM 395 CA LYS A 27 5.891 6.253 6.339 1.00 1.00 C ATOM 396 C LYS A 27 6.056 7.185 5.139 1.00 1.00 C ATOM 397 O LYS A 27 5.248 7.165 4.241 1.00 1.00 O ATOM 398 CB LYS A 27 7.081 5.289 6.410 1.00 1.00 C ATOM 399 CG LYS A 27 7.132 4.629 7.749 1.00 1.00 C ATOM 400 CD LYS A 27 8.308 3.614 7.831 1.00 1.00 C ATOM 401 CE LYS A 27 9.678 4.321 7.719 1.00 1.00 C ATOM 402 NZ LYS A 27 9.827 5.338 8.800 1.00 1.00 N ATOM 0 H LYS A 27 4.500 4.978 5.341 1.00 1.00 H new ATOM 0 HA LYS A 27 5.837 6.880 7.229 1.00 1.00 H new ATOM 0 HB2 LYS A 27 6.994 4.535 5.628 1.00 1.00 H new ATOM 0 HB3 LYS A 27 8.009 5.831 6.228 1.00 1.00 H new ATOM 0 HG2 LYS A 27 7.246 5.385 8.526 1.00 1.00 H new ATOM 0 HG3 LYS A 27 6.190 4.115 7.940 1.00 1.00 H new ATOM 0 HD2 LYS A 27 8.255 3.070 8.774 1.00 1.00 H new ATOM 0 HD3 LYS A 27 8.211 2.878 7.032 1.00 1.00 H new ATOM 0 HE2 LYS A 27 10.480 3.587 7.789 1.00 1.00 H new ATOM 0 HE3 LYS A 27 9.769 4.801 6.744 1.00 1.00 H new ATOM 0 HZ1 LYS A 27 10.830 5.596 8.898 1.00 1.00 H new ATOM 0 HZ2 LYS A 27 9.273 6.185 8.559 1.00 1.00 H new ATOM 0 HZ3 LYS A 27 9.482 4.943 9.698 1.00 1.00 H new ATOM 416 N CYS A 28 7.088 7.988 5.149 1.00 1.00 N ATOM 417 CA CYS A 28 7.339 8.914 4.024 1.00 1.00 C ATOM 418 C CYS A 28 8.705 8.545 3.431 1.00 1.00 C ATOM 419 O CYS A 28 9.566 8.032 4.119 1.00 1.00 O ATOM 420 CB CYS A 28 7.327 10.360 4.538 1.00 1.00 C ATOM 421 SG CYS A 28 7.549 11.668 3.305 1.00 1.00 S ATOM 0 H CYS A 28 7.773 8.036 5.903 1.00 1.00 H new ATOM 0 HA CYS A 28 6.569 8.832 3.257 1.00 1.00 H new ATOM 0 HB2 CYS A 28 6.379 10.531 5.048 1.00 1.00 H new ATOM 0 HB3 CYS A 28 8.114 10.461 5.286 1.00 1.00 H new ATOM 426 N MET A 29 8.852 8.824 2.161 1.00 1.00 N ATOM 427 CA MET A 29 10.097 8.534 1.413 1.00 1.00 C ATOM 428 C MET A 29 10.495 9.781 0.626 1.00 1.00 C ATOM 429 O MET A 29 10.239 9.875 -0.554 1.00 1.00 O ATOM 430 CB MET A 29 9.861 7.334 0.454 1.00 1.00 C ATOM 431 CG MET A 29 9.415 6.088 1.238 1.00 1.00 C ATOM 432 SD MET A 29 9.252 4.548 0.296 1.00 1.00 S ATOM 433 CE MET A 29 7.611 4.823 -0.409 1.00 1.00 C ATOM 0 H MET A 29 8.124 9.260 1.595 1.00 1.00 H new ATOM 0 HA MET A 29 10.900 8.271 2.101 1.00 1.00 H new ATOM 0 HB2 MET A 29 9.102 7.596 -0.284 1.00 1.00 H new ATOM 0 HB3 MET A 29 10.777 7.115 -0.095 1.00 1.00 H new ATOM 0 HG2 MET A 29 10.129 5.920 2.044 1.00 1.00 H new ATOM 0 HG3 MET A 29 8.454 6.305 1.704 1.00 1.00 H new ATOM 0 HE1 MET A 29 7.601 4.491 -1.447 1.00 1.00 H new ATOM 0 HE2 MET A 29 6.872 4.259 0.160 1.00 1.00 H new ATOM 0 HE3 MET A 29 7.370 5.885 -0.365 1.00 1.00 H new ATOM 443 N ASN A 30 11.108 10.687 1.348 1.00 1.00 N ATOM 444 CA ASN A 30 11.598 11.999 0.811 1.00 1.00 C ATOM 445 C ASN A 30 10.755 12.483 -0.373 1.00 1.00 C ATOM 446 O ASN A 30 11.248 12.801 -1.439 1.00 1.00 O ATOM 447 CB ASN A 30 13.087 11.805 0.418 1.00 1.00 C ATOM 448 CG ASN A 30 13.709 13.144 -0.004 1.00 1.00 C ATOM 449 OD1 ASN A 30 13.785 14.082 0.759 1.00 1.00 O ATOM 450 ND2 ASN A 30 14.166 13.270 -1.216 1.00 1.00 N ATOM 0 H ASN A 30 11.299 10.563 2.342 1.00 1.00 H new ATOM 0 HA ASN A 30 11.504 12.776 1.570 1.00 1.00 H new ATOM 0 HB2 ASN A 30 13.641 11.389 1.260 1.00 1.00 H new ATOM 0 HB3 ASN A 30 13.163 11.088 -0.399 1.00 1.00 H new ATOM 0 HD21 ASN A 30 14.583 14.152 -1.515 1.00 1.00 H new ATOM 0 HD22 ASN A 30 14.107 12.487 -1.867 1.00 1.00 H new ATOM 457 N GLY A 31 9.474 12.507 -0.108 1.00 1.00 N ATOM 458 CA GLY A 31 8.479 12.948 -1.119 1.00 1.00 C ATOM 459 C GLY A 31 7.346 11.991 -1.429 1.00 1.00 C ATOM 460 O GLY A 31 6.296 12.490 -1.758 1.00 1.00 O ATOM 0 H GLY A 31 9.072 12.232 0.788 1.00 1.00 H new ATOM 0 HA2 GLY A 31 8.045 13.889 -0.780 1.00 1.00 H new ATOM 0 HA3 GLY A 31 9.009 13.158 -2.048 1.00 1.00 H new ATOM 464 N LYS A 32 7.524 10.695 -1.357 1.00 1.00 N ATOM 465 CA LYS A 32 6.418 9.769 -1.653 1.00 1.00 C ATOM 466 C LYS A 32 6.066 8.984 -0.393 1.00 1.00 C ATOM 467 O LYS A 32 6.917 8.575 0.360 1.00 1.00 O ATOM 468 CB LYS A 32 6.849 8.817 -2.673 1.00 1.00 C ATOM 469 CG LYS A 32 7.519 9.452 -3.862 1.00 1.00 C ATOM 470 CD LYS A 32 7.879 8.364 -4.893 1.00 1.00 C ATOM 471 CE LYS A 32 8.555 9.023 -6.108 1.00 1.00 C ATOM 472 NZ LYS A 32 8.905 7.986 -7.120 1.00 1.00 N ATOM 0 H LYS A 32 8.404 10.246 -1.102 1.00 1.00 H new ATOM 0 HA LYS A 32 5.555 10.338 -2.000 1.00 1.00 H new ATOM 0 HB2 LYS A 32 7.537 8.103 -2.221 1.00 1.00 H new ATOM 0 HB3 LYS A 32 5.983 8.252 -3.017 1.00 1.00 H new ATOM 0 HG2 LYS A 32 6.857 10.191 -4.314 1.00 1.00 H new ATOM 0 HG3 LYS A 32 8.419 9.980 -3.546 1.00 1.00 H new ATOM 0 HD2 LYS A 32 8.547 7.628 -4.445 1.00 1.00 H new ATOM 0 HD3 LYS A 32 6.981 7.831 -5.206 1.00 1.00 H new ATOM 0 HE2 LYS A 32 7.887 9.763 -6.549 1.00 1.00 H new ATOM 0 HE3 LYS A 32 9.454 9.553 -5.792 1.00 1.00 H new ATOM 0 HZ1 LYS A 32 9.361 8.439 -7.938 1.00 1.00 H new ATOM 0 HZ2 LYS A 32 9.558 7.295 -6.698 1.00 1.00 H new ATOM 0 HZ3 LYS A 32 8.040 7.499 -7.432 1.00 1.00 H new ATOM 486 N CYS A 33 4.794 8.793 -0.238 1.00 1.00 N ATOM 487 CA CYS A 33 4.258 8.050 0.933 1.00 1.00 C ATOM 488 C CYS A 33 4.533 6.541 0.879 1.00 1.00 C ATOM 489 O CYS A 33 4.817 5.970 -0.147 1.00 1.00 O ATOM 490 CB CYS A 33 2.751 8.368 1.006 1.00 1.00 C ATOM 491 SG CYS A 33 1.639 7.545 2.170 1.00 1.00 S ATOM 0 H CYS A 33 4.083 9.128 -0.888 1.00 1.00 H new ATOM 0 HA CYS A 33 4.770 8.374 1.839 1.00 1.00 H new ATOM 0 HB2 CYS A 33 2.667 9.438 1.198 1.00 1.00 H new ATOM 0 HB3 CYS A 33 2.346 8.190 0.010 1.00 1.00 H new ATOM 496 N ARG A 34 4.435 5.962 2.042 1.00 1.00 N ATOM 497 CA ARG A 34 4.644 4.516 2.287 1.00 1.00 C ATOM 498 C ARG A 34 3.478 4.081 3.161 1.00 1.00 C ATOM 499 O ARG A 34 3.011 4.843 3.979 1.00 1.00 O ATOM 500 CB ARG A 34 5.944 4.313 3.040 1.00 1.00 C ATOM 501 CG ARG A 34 6.152 2.821 3.442 1.00 1.00 C ATOM 502 CD ARG A 34 6.347 1.953 2.185 1.00 1.00 C ATOM 503 NE ARG A 34 6.358 0.521 2.602 1.00 1.00 N ATOM 504 CZ ARG A 34 7.387 -0.224 2.325 1.00 1.00 C ATOM 505 NH1 ARG A 34 7.501 -0.718 1.125 1.00 1.00 N ATOM 506 NH2 ARG A 34 8.268 -0.453 3.261 1.00 1.00 N ATOM 0 H ARG A 34 4.201 6.478 2.890 1.00 1.00 H new ATOM 0 HA ARG A 34 4.695 3.946 1.359 1.00 1.00 H new ATOM 0 HB2 ARG A 34 6.778 4.642 2.421 1.00 1.00 H new ATOM 0 HB3 ARG A 34 5.947 4.935 3.935 1.00 1.00 H new ATOM 0 HG2 ARG A 34 7.021 2.730 4.094 1.00 1.00 H new ATOM 0 HG3 ARG A 34 5.291 2.466 4.008 1.00 1.00 H new ATOM 0 HD2 ARG A 34 5.544 2.134 1.470 1.00 1.00 H new ATOM 0 HD3 ARG A 34 7.282 2.211 1.687 1.00 1.00 H new ATOM 0 HE ARG A 34 5.561 0.128 3.103 1.00 1.00 H new ATOM 0 HH11 ARG A 34 6.790 -0.518 0.422 1.00 1.00 H new ATOM 0 HH12 ARG A 34 8.301 -1.305 0.889 1.00 1.00 H new ATOM 0 HH21 ARG A 34 8.142 -0.050 4.190 1.00 1.00 H new ATOM 0 HH22 ARG A 34 9.082 -1.035 3.064 1.00 1.00 H new ATOM 520 N CYS A 35 3.053 2.870 2.975 1.00 1.00 N ATOM 521 CA CYS A 35 1.940 2.316 3.754 1.00 1.00 C ATOM 522 C CYS A 35 2.462 1.131 4.555 1.00 1.00 C ATOM 523 O CYS A 35 3.532 0.616 4.292 1.00 1.00 O ATOM 524 CB CYS A 35 0.858 1.859 2.808 1.00 1.00 C ATOM 525 SG CYS A 35 -0.066 3.074 1.844 1.00 1.00 S ATOM 0 H CYS A 35 3.450 2.226 2.290 1.00 1.00 H new ATOM 0 HA CYS A 35 1.530 3.067 4.429 1.00 1.00 H new ATOM 0 HB2 CYS A 35 1.315 1.165 2.103 1.00 1.00 H new ATOM 0 HB3 CYS A 35 0.135 1.290 3.392 1.00 1.00 H new ATOM 530 N TYR A 36 1.670 0.742 5.516 1.00 1.00 N ATOM 531 CA TYR A 36 2.040 -0.403 6.381 1.00 1.00 C ATOM 532 C TYR A 36 0.979 -1.500 6.179 1.00 1.00 C ATOM 533 O TYR A 36 0.071 -1.344 5.385 1.00 1.00 O ATOM 534 CB TYR A 36 2.050 0.020 7.846 1.00 1.00 C ATOM 535 CG TYR A 36 3.225 0.927 8.297 1.00 1.00 C ATOM 536 CD1 TYR A 36 4.539 0.753 7.906 1.00 1.00 C ATOM 537 CD2 TYR A 36 2.924 1.921 9.198 1.00 1.00 C ATOM 538 CE1 TYR A 36 5.524 1.569 8.427 1.00 1.00 C ATOM 539 CE2 TYR A 36 3.896 2.730 9.715 1.00 1.00 C ATOM 540 CZ TYR A 36 5.203 2.561 9.338 1.00 1.00 C ATOM 541 OH TYR A 36 6.157 3.371 9.916 1.00 1.00 O ATOM 0 H TYR A 36 0.774 1.176 5.738 1.00 1.00 H new ATOM 0 HA TYR A 36 3.035 -0.763 6.119 1.00 1.00 H new ATOM 0 HB2 TYR A 36 1.116 0.541 8.057 1.00 1.00 H new ATOM 0 HB3 TYR A 36 2.058 -0.880 8.461 1.00 1.00 H new ATOM 0 HD1 TYR A 36 4.795 -0.019 7.195 1.00 1.00 H new ATOM 0 HD2 TYR A 36 1.898 2.065 9.503 1.00 1.00 H new ATOM 0 HE1 TYR A 36 6.551 1.432 8.122 1.00 1.00 H new ATOM 0 HE2 TYR A 36 3.634 3.504 10.422 1.00 1.00 H new ATOM 0 HH TYR A 36 5.723 4.003 10.526 1.00 1.00 H new ATOM 551 N SER A 37 1.134 -2.577 6.907 1.00 1.00 N ATOM 552 CA SER A 37 0.180 -3.726 6.816 1.00 1.00 C ATOM 553 C SER A 37 -0.524 -3.899 8.181 1.00 1.00 C ATOM 554 O SER A 37 -0.447 -4.966 8.772 1.00 1.00 O ATOM 555 CB SER A 37 1.017 -4.977 6.407 1.00 1.00 C ATOM 556 OG SER A 37 2.015 -5.101 7.414 1.00 1.00 O ATOM 557 OXT SER A 37 -1.132 -2.912 8.561 1.00 1.00 O ATOM 0 H SER A 37 1.895 -2.711 7.573 1.00 1.00 H new ATOM 0 HA SER A 37 -0.602 -3.567 6.074 1.00 1.00 H new ATOM 0 HB2 SER A 37 0.393 -5.870 6.358 1.00 1.00 H new ATOM 0 HB3 SER A 37 1.465 -4.847 5.422 1.00 1.00 H new ATOM 0 HG SER A 37 2.582 -5.876 7.219 1.00 1.00 H new