USER MOD reduce.3.24.130724 H: found=0, std=0, add=269, rem=0, adj=9 USER MOD reduce.3.24.130724 removed 268 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 1 GLU N :NH3+ 136:sc= 0.0431 (180deg=0) USER MOD Single : A 6 THR OG1 : rot 180:sc= 0.00447 USER MOD Single : A 7 THR OG1 : rot 180:sc= 0 USER MOD Single : A 15 LYS NZ :NH3+ -137:sc= 0.569 (180deg=-0.0676) USER MOD Single : A 18 LYS NZ :NH3+ 145:sc= 1.17 (180deg=0.0221) USER MOD Single : A 19 THR OG1 : rot 155:sc= 0.862 USER MOD Single : A 20 TYR OH : rot 165:sc= 0 USER MOD Single : A 21 SER OG : rot 180:sc= 0.0677 USER MOD Single : A 22 ASN : amide:sc= -0.514 K(o=-0.51,f=-5.6!) USER MOD Single : A 27 ASN : amide:sc= -0.205 X(o=-0.21,f=0) USER MOD Single : A 35 HIS :FLIP no HE2:sc= 0.153 F(o=-0.72,f=0.15) USER MOD ----------------------------------------------------------------- ATOM 1 N GLU A 1 -18.755 7.619 -5.303 1.00 25.00 N ATOM 2 CA GLU A 1 -18.169 7.267 -3.978 1.00 25.00 C ATOM 3 C GLU A 1 -18.750 5.955 -3.484 1.00 25.00 C ATOM 4 O GLU A 1 -19.916 5.687 -3.711 1.00 25.00 O ATOM 5 CB GLU A 1 -18.477 8.384 -2.968 1.00 25.00 C ATOM 6 CG GLU A 1 -17.859 8.186 -1.570 1.00 25.00 C ATOM 7 CD GLU A 1 -18.220 9.293 -0.622 1.00 25.00 C ATOM 8 OE1 GLU A 1 -18.806 10.281 -0.957 1.00 25.00 O ATOM 9 OE2 GLU A 1 -17.845 9.071 0.598 1.00 25.00 O ATOM 0 H1 GLU A 1 -19.004 8.629 -5.315 1.00 25.00 H new ATOM 0 H2 GLU A 1 -18.061 7.425 -6.052 1.00 25.00 H new ATOM 0 H3 GLU A 1 -19.610 7.050 -5.467 1.00 25.00 H new ATOM 0 HA GLU A 1 -17.089 7.158 -4.082 1.00 25.00 H new ATOM 0 HB2 GLU A 1 -18.121 9.330 -3.376 1.00 25.00 H new ATOM 0 HB3 GLU A 1 -19.558 8.469 -2.862 1.00 25.00 H new ATOM 0 HG2 GLU A 1 -18.196 7.235 -1.158 1.00 25.00 H new ATOM 0 HG3 GLU A 1 -16.774 8.128 -1.660 1.00 25.00 H new ATOM 18 N ALA A 2 -17.935 5.153 -2.816 1.00 25.00 N ATOM 19 CA ALA A 2 -18.361 3.897 -2.213 1.00 25.00 C ATOM 20 C ALA A 2 -17.422 3.773 -1.008 1.00 25.00 C ATOM 21 O ALA A 2 -17.062 4.794 -0.414 1.00 25.00 O ATOM 22 CB ALA A 2 -18.177 2.728 -3.213 1.00 25.00 C ATOM 0 H ALA A 2 -16.946 5.358 -2.675 1.00 25.00 H new ATOM 0 HA ALA A 2 -19.414 3.870 -1.932 1.00 25.00 H new ATOM 0 HB1 ALA A 2 -18.500 1.797 -2.747 1.00 25.00 H new ATOM 0 HB2 ALA A 2 -18.776 2.914 -4.105 1.00 25.00 H new ATOM 0 HB3 ALA A 2 -17.126 2.649 -3.491 1.00 25.00 H new ATOM 28 N ALA A 3 -16.918 2.573 -0.750 1.00 25.00 N ATOM 29 CA ALA A 3 -15.781 2.407 0.152 1.00 25.00 C ATOM 30 C ALA A 3 -14.608 3.105 -0.556 1.00 25.00 C ATOM 31 O ALA A 3 -14.704 3.392 -1.754 1.00 25.00 O ATOM 32 CB ALA A 3 -15.484 0.913 0.367 1.00 25.00 C ATOM 0 H ALA A 3 -17.274 1.704 -1.149 1.00 25.00 H new ATOM 0 HA ALA A 3 -15.968 2.831 1.138 1.00 25.00 H new ATOM 0 HB1 ALA A 3 -14.634 0.804 1.041 1.00 25.00 H new ATOM 0 HB2 ALA A 3 -16.357 0.427 0.802 1.00 25.00 H new ATOM 0 HB3 ALA A 3 -15.250 0.447 -0.590 1.00 25.00 H new ATOM 38 N VAL A 4 -13.504 3.350 0.136 1.00 25.00 N ATOM 39 CA VAL A 4 -12.408 4.096 -0.491 1.00 25.00 C ATOM 40 C VAL A 4 -11.236 3.204 -0.848 1.00 25.00 C ATOM 41 O VAL A 4 -10.642 3.359 -1.904 1.00 25.00 O ATOM 42 CB VAL A 4 -11.936 5.292 0.409 1.00 25.00 C ATOM 43 CG1 VAL A 4 -13.080 6.308 0.574 1.00 25.00 C ATOM 44 CG2 VAL A 4 -11.470 4.820 1.816 1.00 25.00 C ATOM 0 H VAL A 4 -13.340 3.057 1.099 1.00 25.00 H new ATOM 0 HA VAL A 4 -12.805 4.503 -1.421 1.00 25.00 H new ATOM 0 HB VAL A 4 -11.086 5.755 -0.092 1.00 25.00 H new ATOM 0 HG11 VAL A 4 -12.745 7.135 1.200 1.00 25.00 H new ATOM 0 HG12 VAL A 4 -13.372 6.689 -0.405 1.00 25.00 H new ATOM 0 HG13 VAL A 4 -13.934 5.821 1.044 1.00 25.00 H new ATOM 0 HG21 VAL A 4 -11.153 5.682 2.402 1.00 25.00 H new ATOM 0 HG22 VAL A 4 -12.295 4.320 2.323 1.00 25.00 H new ATOM 0 HG23 VAL A 4 -10.636 4.127 1.709 1.00 25.00 H new ATOM 54 N CYS A 5 -10.989 2.206 -0.026 1.00 25.00 N ATOM 55 CA CYS A 5 -10.064 1.127 -0.360 1.00 25.00 C ATOM 56 C CYS A 5 -10.788 -0.206 -0.409 1.00 25.00 C ATOM 57 O CYS A 5 -11.844 -0.373 0.202 1.00 25.00 O ATOM 58 CB CYS A 5 -8.884 1.087 0.611 1.00 25.00 C ATOM 59 SG CYS A 5 -7.785 2.540 0.470 1.00 25.00 S ATOM 0 H CYS A 5 -11.420 2.114 0.894 1.00 25.00 H new ATOM 0 HA CYS A 5 -9.660 1.324 -1.353 1.00 25.00 H new ATOM 0 HB2 CYS A 5 -9.263 1.024 1.631 1.00 25.00 H new ATOM 0 HB3 CYS A 5 -8.304 0.182 0.430 1.00 25.00 H new ATOM 64 N THR A 6 -10.183 -1.169 -1.083 1.00 25.00 N ATOM 65 CA THR A 6 -10.674 -2.532 -1.109 1.00 25.00 C ATOM 66 C THR A 6 -10.121 -3.257 0.118 1.00 25.00 C ATOM 67 O THR A 6 -9.267 -2.726 0.825 1.00 25.00 O ATOM 68 CB THR A 6 -10.166 -3.244 -2.376 1.00 25.00 C ATOM 69 OG1 THR A 6 -8.741 -3.134 -2.441 1.00 25.00 O ATOM 70 CG2 THR A 6 -10.746 -2.611 -3.631 1.00 25.00 C ATOM 0 H THR A 6 -9.334 -1.025 -1.629 1.00 25.00 H new ATOM 0 HA THR A 6 -11.764 -2.536 -1.106 1.00 25.00 H new ATOM 0 HB THR A 6 -10.477 -4.287 -2.324 1.00 25.00 H new ATOM 0 HG1 THR A 6 -8.414 -3.588 -3.246 1.00 25.00 H new ATOM 0 HG21 THR A 6 -10.370 -3.135 -4.510 1.00 25.00 H new ATOM 0 HG22 THR A 6 -11.833 -2.681 -3.605 1.00 25.00 H new ATOM 0 HG23 THR A 6 -10.451 -1.563 -3.679 1.00 25.00 H new ATOM 78 N THR A 7 -10.560 -4.488 0.339 1.00 25.00 N ATOM 79 CA THR A 7 -10.044 -5.320 1.433 1.00 25.00 C ATOM 80 C THR A 7 -9.066 -6.349 0.878 1.00 25.00 C ATOM 81 O THR A 7 -8.768 -7.366 1.490 1.00 25.00 O ATOM 82 CB THR A 7 -11.201 -6.046 2.138 1.00 25.00 C ATOM 83 OG1 THR A 7 -11.999 -6.706 1.150 1.00 25.00 O ATOM 84 CG2 THR A 7 -12.094 -5.056 2.876 1.00 25.00 C ATOM 0 H THR A 7 -11.278 -4.941 -0.226 1.00 25.00 H new ATOM 0 HA THR A 7 -9.533 -4.679 2.151 1.00 25.00 H new ATOM 0 HB THR A 7 -10.781 -6.755 2.851 1.00 25.00 H new ATOM 0 HG1 THR A 7 -12.740 -7.175 1.588 1.00 25.00 H new ATOM 0 HG21 THR A 7 -12.905 -5.594 3.367 1.00 25.00 H new ATOM 0 HG22 THR A 7 -11.507 -4.524 3.624 1.00 25.00 H new ATOM 0 HG23 THR A 7 -12.510 -4.341 2.166 1.00 25.00 H new ATOM 92 N GLU A 8 -8.583 -6.060 -0.316 1.00 25.00 N ATOM 93 CA GLU A 8 -7.668 -6.941 -1.036 1.00 25.00 C ATOM 94 C GLU A 8 -6.285 -6.976 -0.383 1.00 25.00 C ATOM 95 O GLU A 8 -5.681 -5.930 -0.159 1.00 25.00 O ATOM 96 CB GLU A 8 -7.516 -6.436 -2.475 1.00 25.00 C ATOM 97 CG GLU A 8 -6.721 -7.367 -3.393 1.00 25.00 C ATOM 98 CD GLU A 8 -6.430 -6.742 -4.728 1.00 25.00 C ATOM 99 OE1 GLU A 8 -6.687 -5.600 -5.001 1.00 25.00 O ATOM 100 OE2 GLU A 8 -5.846 -7.538 -5.548 1.00 25.00 O ATOM 0 H GLU A 8 -8.813 -5.204 -0.821 1.00 25.00 H new ATOM 0 HA GLU A 8 -8.085 -7.948 -1.015 1.00 25.00 H new ATOM 0 HB2 GLU A 8 -8.508 -6.287 -2.901 1.00 25.00 H new ATOM 0 HB3 GLU A 8 -7.028 -5.462 -2.455 1.00 25.00 H new ATOM 0 HG2 GLU A 8 -5.783 -7.636 -2.908 1.00 25.00 H new ATOM 0 HG3 GLU A 8 -7.280 -8.291 -3.541 1.00 25.00 H new ATOM 107 N TRP A 9 -5.757 -8.167 -0.138 1.00 25.00 N ATOM 108 CA TRP A 9 -4.364 -8.300 0.286 1.00 25.00 C ATOM 109 C TRP A 9 -3.483 -8.274 -0.962 1.00 25.00 C ATOM 110 O TRP A 9 -3.363 -9.265 -1.670 1.00 25.00 O ATOM 111 CB TRP A 9 -4.136 -9.602 1.061 1.00 25.00 C ATOM 112 CG TRP A 9 -2.695 -9.782 1.487 1.00 25.00 C ATOM 113 CD1 TRP A 9 -1.808 -10.716 1.041 1.00 25.00 C ATOM 114 CD2 TRP A 9 -1.954 -8.984 2.434 1.00 25.00 C ATOM 115 NE1 TRP A 9 -0.596 -10.590 1.644 1.00 25.00 N ATOM 116 CE2 TRP A 9 -0.635 -9.527 2.499 1.00 25.00 C ATOM 117 CE3 TRP A 9 -2.261 -7.853 3.214 1.00 25.00 C ATOM 118 CZ2 TRP A 9 0.374 -8.964 3.303 1.00 25.00 C ATOM 119 CZ3 TRP A 9 -1.247 -7.285 4.025 1.00 25.00 C ATOM 120 CH2 TRP A 9 0.061 -7.849 4.059 1.00 25.00 C ATOM 0 H TRP A 9 -6.263 -9.049 -0.223 1.00 25.00 H new ATOM 0 HA TRP A 9 -4.112 -7.476 0.954 1.00 25.00 H new ATOM 0 HB2 TRP A 9 -4.776 -9.612 1.944 1.00 25.00 H new ATOM 0 HB3 TRP A 9 -4.436 -10.447 0.441 1.00 25.00 H new ATOM 0 HD1 TRP A 9 -2.040 -11.465 0.299 1.00 25.00 H new ATOM 0 HE1 TRP A 9 0.211 -11.192 1.483 1.00 25.00 H new ATOM 0 HE3 TRP A 9 -3.253 -7.425 3.195 1.00 25.00 H new ATOM 0 HZ2 TRP A 9 1.366 -9.391 3.329 1.00 25.00 H new ATOM 0 HZ3 TRP A 9 -1.468 -6.414 4.624 1.00 25.00 H new ATOM 0 HH2 TRP A 9 0.819 -7.400 4.684 1.00 25.00 H new ATOM 131 N ASP A 10 -2.905 -7.119 -1.248 1.00 25.00 N ATOM 132 CA ASP A 10 -1.984 -6.962 -2.376 1.00 25.00 C ATOM 133 C ASP A 10 -0.825 -6.105 -1.872 1.00 25.00 C ATOM 134 O ASP A 10 -0.761 -4.905 -2.188 1.00 25.00 O ATOM 135 CB ASP A 10 -2.709 -6.286 -3.550 1.00 25.00 C ATOM 136 CG ASP A 10 -1.891 -6.271 -4.816 1.00 25.00 C ATOM 137 OD1 ASP A 10 -0.841 -5.510 -4.762 1.00 25.00 O ATOM 138 OD2 ASP A 10 -2.207 -6.863 -5.802 1.00 25.00 O ATOM 0 H ASP A 10 -3.056 -6.264 -0.712 1.00 25.00 H new ATOM 0 HA ASP A 10 -1.617 -7.923 -2.737 1.00 25.00 H new ATOM 0 HB2 ASP A 10 -3.649 -6.805 -3.737 1.00 25.00 H new ATOM 0 HB3 ASP A 10 -2.960 -5.262 -3.274 1.00 25.00 H new ATOM 143 N PRO A 11 0.060 -6.676 -1.036 1.00 25.00 N ATOM 144 CA PRO A 11 1.036 -5.814 -0.366 1.00 25.00 C ATOM 145 C PRO A 11 1.985 -5.067 -1.270 1.00 25.00 C ATOM 146 O PRO A 11 2.442 -5.570 -2.301 1.00 25.00 O ATOM 147 CB PRO A 11 1.788 -6.782 0.557 1.00 25.00 C ATOM 148 CG PRO A 11 1.535 -8.138 -0.010 1.00 25.00 C ATOM 149 CD PRO A 11 0.144 -8.059 -0.538 1.00 25.00 C ATOM 0 HA PRO A 11 0.526 -4.998 0.147 1.00 25.00 H new ATOM 0 HB2 PRO A 11 2.854 -6.557 0.579 1.00 25.00 H new ATOM 0 HB3 PRO A 11 1.426 -6.710 1.583 1.00 25.00 H new ATOM 0 HG2 PRO A 11 2.247 -8.379 -0.799 1.00 25.00 H new ATOM 0 HG3 PRO A 11 1.629 -8.912 0.752 1.00 25.00 H new ATOM 0 HD2 PRO A 11 -0.029 -8.786 -1.332 1.00 25.00 H new ATOM 0 HD3 PRO A 11 -0.595 -8.254 0.239 1.00 25.00 H new ATOM 157 N VAL A 12 2.260 -3.843 -0.860 1.00 25.00 N ATOM 158 CA VAL A 12 3.174 -2.951 -1.551 1.00 25.00 C ATOM 159 C VAL A 12 3.944 -2.225 -0.462 1.00 25.00 C ATOM 160 O VAL A 12 3.546 -2.258 0.703 1.00 25.00 O ATOM 161 CB VAL A 12 2.424 -1.914 -2.435 1.00 25.00 C ATOM 162 CG1 VAL A 12 1.731 -2.601 -3.620 1.00 25.00 C ATOM 163 CG2 VAL A 12 1.400 -1.124 -1.617 1.00 25.00 C ATOM 0 H VAL A 12 1.847 -3.433 -0.022 1.00 25.00 H new ATOM 0 HA VAL A 12 3.821 -3.519 -2.220 1.00 25.00 H new ATOM 0 HB VAL A 12 3.168 -1.217 -2.821 1.00 25.00 H new ATOM 0 HG11 VAL A 12 1.214 -1.854 -4.222 1.00 25.00 H new ATOM 0 HG12 VAL A 12 2.476 -3.109 -4.233 1.00 25.00 H new ATOM 0 HG13 VAL A 12 1.010 -3.329 -3.248 1.00 25.00 H new ATOM 0 HG21 VAL A 12 0.893 -0.408 -2.263 1.00 25.00 H new ATOM 0 HG22 VAL A 12 0.668 -1.810 -1.190 1.00 25.00 H new ATOM 0 HG23 VAL A 12 1.909 -0.591 -0.814 1.00 25.00 H new ATOM 173 N CYS A 13 5.017 -1.550 -0.833 1.00 25.00 N ATOM 174 CA CYS A 13 5.830 -0.821 0.128 1.00 25.00 C ATOM 175 C CYS A 13 6.171 0.564 -0.405 1.00 25.00 C ATOM 176 O CYS A 13 6.562 0.721 -1.576 1.00 25.00 O ATOM 177 CB CYS A 13 7.095 -1.614 0.398 1.00 25.00 C ATOM 178 SG CYS A 13 8.272 -0.789 1.504 1.00 25.00 S ATOM 0 H CYS A 13 5.348 -1.491 -1.796 1.00 25.00 H new ATOM 0 HA CYS A 13 5.274 -0.694 1.057 1.00 25.00 H new ATOM 0 HB2 CYS A 13 6.821 -2.576 0.831 1.00 25.00 H new ATOM 0 HB3 CYS A 13 7.590 -1.821 -0.551 1.00 25.00 H new ATOM 183 N GLY A 14 5.998 1.567 0.442 1.00 25.00 N ATOM 184 CA GLY A 14 6.238 2.945 0.047 1.00 25.00 C ATOM 185 C GLY A 14 7.701 3.334 0.064 1.00 25.00 C ATOM 186 O GLY A 14 8.569 2.557 0.460 1.00 25.00 O ATOM 0 H GLY A 14 5.692 1.452 1.408 1.00 25.00 H new ATOM 0 HA2 GLY A 14 5.841 3.101 -0.956 1.00 25.00 H new ATOM 0 HA3 GLY A 14 5.687 3.607 0.715 1.00 25.00 H new ATOM 190 N LYS A 15 7.985 4.561 -0.357 1.00 25.00 N ATOM 191 CA LYS A 15 9.362 5.083 -0.363 1.00 25.00 C ATOM 192 C LYS A 15 9.853 5.364 1.049 1.00 25.00 C ATOM 193 O LYS A 15 11.039 5.541 1.269 1.00 25.00 O ATOM 194 CB LYS A 15 9.457 6.354 -1.214 1.00 25.00 C ATOM 195 CG LYS A 15 9.243 6.088 -2.698 1.00 25.00 C ATOM 196 CD LYS A 15 9.558 7.300 -3.555 1.00 25.00 C ATOM 197 CE LYS A 15 9.222 7.038 -5.032 1.00 25.00 C ATOM 198 NZ LYS A 15 9.923 5.821 -5.585 1.00 25.00 N ATOM 0 H LYS A 15 7.286 5.219 -0.700 1.00 25.00 H new ATOM 0 HA LYS A 15 10.001 4.317 -0.801 1.00 25.00 H new ATOM 0 HB2 LYS A 15 8.715 7.074 -0.868 1.00 25.00 H new ATOM 0 HB3 LYS A 15 10.436 6.811 -1.069 1.00 25.00 H new ATOM 0 HG2 LYS A 15 9.872 5.253 -3.009 1.00 25.00 H new ATOM 0 HG3 LYS A 15 8.209 5.787 -2.865 1.00 25.00 H new ATOM 0 HD2 LYS A 15 8.991 8.159 -3.197 1.00 25.00 H new ATOM 0 HD3 LYS A 15 10.614 7.552 -3.459 1.00 25.00 H new ATOM 0 HE2 LYS A 15 8.145 6.910 -5.138 1.00 25.00 H new ATOM 0 HE3 LYS A 15 9.499 7.911 -5.623 1.00 25.00 H new ATOM 0 HZ1 LYS A 15 10.291 6.034 -6.534 1.00 25.00 H new ATOM 0 HZ2 LYS A 15 10.711 5.560 -4.959 1.00 25.00 H new ATOM 0 HZ3 LYS A 15 9.251 5.030 -5.644 1.00 25.00 H new ATOM 212 N ASP A 16 8.933 5.362 1.997 1.00 25.00 N ATOM 213 CA ASP A 16 9.250 5.559 3.410 1.00 25.00 C ATOM 214 C ASP A 16 9.421 4.218 4.133 1.00 25.00 C ATOM 215 O ASP A 16 9.506 4.169 5.358 1.00 25.00 O ATOM 216 CB ASP A 16 8.140 6.369 4.085 1.00 25.00 C ATOM 217 CG ASP A 16 6.826 5.602 4.190 1.00 25.00 C ATOM 218 OD1 ASP A 16 6.637 4.568 3.501 1.00 25.00 O ATOM 219 OD2 ASP A 16 5.966 6.060 4.963 1.00 25.00 O ATOM 0 H ASP A 16 7.939 5.224 1.813 1.00 25.00 H new ATOM 0 HA ASP A 16 10.192 6.104 3.472 1.00 25.00 H new ATOM 0 HB2 ASP A 16 8.466 6.660 5.084 1.00 25.00 H new ATOM 0 HB3 ASP A 16 7.975 7.288 3.523 1.00 25.00 H new ATOM 224 N GLY A 17 9.449 3.137 3.363 1.00 25.00 N ATOM 225 CA GLY A 17 9.673 1.809 3.913 1.00 25.00 C ATOM 226 C GLY A 17 8.463 1.129 4.527 1.00 25.00 C ATOM 227 O GLY A 17 8.561 -0.015 4.960 1.00 25.00 O ATOM 0 H GLY A 17 9.319 3.156 2.352 1.00 25.00 H new ATOM 0 HA2 GLY A 17 10.060 1.170 3.120 1.00 25.00 H new ATOM 0 HA3 GLY A 17 10.450 1.879 4.674 1.00 25.00 H new ATOM 231 N LYS A 18 7.323 1.800 4.592 1.00 25.00 N ATOM 232 CA LYS A 18 6.150 1.198 5.230 1.00 25.00 C ATOM 233 C LYS A 18 5.406 0.269 4.288 1.00 25.00 C ATOM 234 O LYS A 18 5.188 0.585 3.115 1.00 25.00 O ATOM 235 CB LYS A 18 5.205 2.279 5.746 1.00 25.00 C ATOM 236 CG LYS A 18 5.830 3.132 6.829 1.00 25.00 C ATOM 237 CD LYS A 18 4.836 4.149 7.367 1.00 25.00 C ATOM 238 CE LYS A 18 5.503 5.099 8.358 1.00 25.00 C ATOM 239 NZ LYS A 18 6.588 5.895 7.687 1.00 25.00 N ATOM 0 H LYS A 18 7.180 2.740 4.222 1.00 25.00 H new ATOM 0 HA LYS A 18 6.511 0.604 6.070 1.00 25.00 H new ATOM 0 HB2 LYS A 18 4.902 2.917 4.916 1.00 25.00 H new ATOM 0 HB3 LYS A 18 4.301 1.810 6.135 1.00 25.00 H new ATOM 0 HG2 LYS A 18 6.179 2.495 7.642 1.00 25.00 H new ATOM 0 HG3 LYS A 18 6.704 3.648 6.431 1.00 25.00 H new ATOM 0 HD2 LYS A 18 4.412 4.720 6.541 1.00 25.00 H new ATOM 0 HD3 LYS A 18 4.010 3.632 7.854 1.00 25.00 H new ATOM 0 HE2 LYS A 18 4.758 5.774 8.779 1.00 25.00 H new ATOM 0 HE3 LYS A 18 5.923 4.530 9.188 1.00 25.00 H new ATOM 0 HZ1 LYS A 18 6.620 6.851 8.095 1.00 25.00 H new ATOM 0 HZ2 LYS A 18 7.504 5.425 7.833 1.00 25.00 H new ATOM 0 HZ3 LYS A 18 6.391 5.960 6.668 1.00 25.00 H new ATOM 253 N THR A 19 5.003 -0.871 4.824 1.00 25.00 N ATOM 254 CA THR A 19 4.210 -1.850 4.089 1.00 25.00 C ATOM 255 C THR A 19 2.742 -1.455 4.163 1.00 25.00 C ATOM 256 O THR A 19 2.209 -1.231 5.248 1.00 25.00 O ATOM 257 CB THR A 19 4.355 -3.256 4.717 1.00 25.00 C ATOM 258 OG1 THR A 19 5.729 -3.651 4.681 1.00 25.00 O ATOM 259 CG2 THR A 19 3.542 -4.293 3.961 1.00 25.00 C ATOM 0 H THR A 19 5.215 -1.147 5.783 1.00 25.00 H new ATOM 0 HA THR A 19 4.562 -1.873 3.058 1.00 25.00 H new ATOM 0 HB THR A 19 3.989 -3.201 5.742 1.00 25.00 H new ATOM 0 HG1 THR A 19 5.899 -4.307 5.388 1.00 25.00 H new ATOM 0 HG21 THR A 19 3.669 -5.268 4.431 1.00 25.00 H new ATOM 0 HG22 THR A 19 2.488 -4.015 3.981 1.00 25.00 H new ATOM 0 HG23 THR A 19 3.885 -4.341 2.927 1.00 25.00 H new ATOM 267 N TYR A 20 2.086 -1.395 3.016 1.00 25.00 N ATOM 268 CA TYR A 20 0.657 -1.110 2.950 1.00 25.00 C ATOM 269 C TYR A 20 -0.049 -2.337 2.404 1.00 25.00 C ATOM 270 O TYR A 20 0.469 -3.007 1.513 1.00 25.00 O ATOM 271 CB TYR A 20 0.412 0.115 2.083 1.00 25.00 C ATOM 272 CG TYR A 20 0.903 1.370 2.756 1.00 25.00 C ATOM 273 CD1 TYR A 20 0.053 2.101 3.606 1.00 25.00 C ATOM 274 CD2 TYR A 20 2.224 1.825 2.576 1.00 25.00 C ATOM 275 CE1 TYR A 20 0.518 3.262 4.274 1.00 25.00 C ATOM 276 CE2 TYR A 20 2.689 2.990 3.234 1.00 25.00 C ATOM 277 CZ TYR A 20 1.835 3.694 4.081 1.00 25.00 C ATOM 278 OH TYR A 20 2.290 4.808 4.733 1.00 25.00 O ATOM 0 H TYR A 20 2.524 -1.541 2.107 1.00 25.00 H new ATOM 0 HA TYR A 20 0.261 -0.888 3.941 1.00 25.00 H new ATOM 0 HB2 TYR A 20 0.918 -0.008 1.125 1.00 25.00 H new ATOM 0 HB3 TYR A 20 -0.653 0.206 1.872 1.00 25.00 H new ATOM 0 HD1 TYR A 20 -0.966 1.774 3.751 1.00 25.00 H new ATOM 0 HD2 TYR A 20 2.892 1.278 1.927 1.00 25.00 H new ATOM 0 HE1 TYR A 20 -0.142 3.811 4.929 1.00 25.00 H new ATOM 0 HE2 TYR A 20 3.702 3.332 3.080 1.00 25.00 H new ATOM 0 HH TYR A 20 3.268 4.838 4.686 1.00 25.00 H new ATOM 288 N SER A 21 -1.200 -2.661 2.980 1.00 25.00 N ATOM 289 CA SER A 21 -1.912 -3.890 2.640 1.00 25.00 C ATOM 290 C SER A 21 -2.273 -3.982 1.165 1.00 25.00 C ATOM 291 O SER A 21 -1.960 -4.966 0.524 1.00 25.00 O ATOM 292 CB SER A 21 -3.172 -3.999 3.492 1.00 25.00 C ATOM 293 OG SER A 21 -2.966 -3.344 4.733 1.00 25.00 O ATOM 0 H SER A 21 -1.663 -2.089 3.687 1.00 25.00 H new ATOM 0 HA SER A 21 -1.238 -4.721 2.848 1.00 25.00 H new ATOM 0 HB2 SER A 21 -4.017 -3.551 2.969 1.00 25.00 H new ATOM 0 HB3 SER A 21 -3.420 -5.047 3.659 1.00 25.00 H new ATOM 0 HG SER A 21 -3.777 -3.414 5.278 1.00 25.00 H new ATOM 299 N ASN A 22 -3.000 -3.005 0.645 1.00 25.00 N ATOM 300 CA ASN A 22 -3.151 -2.843 -0.804 1.00 25.00 C ATOM 301 C ASN A 22 -2.472 -1.559 -1.281 1.00 25.00 C ATOM 302 O ASN A 22 -2.093 -0.704 -0.476 1.00 25.00 O ATOM 303 CB ASN A 22 -4.612 -2.922 -1.237 1.00 25.00 C ATOM 304 CG ASN A 22 -5.504 -2.134 -0.364 1.00 25.00 C ATOM 305 OD1 ASN A 22 -5.326 -0.946 -0.200 1.00 25.00 O ATOM 306 ND2 ASN A 22 -6.460 -2.785 0.217 1.00 25.00 N ATOM 0 H ASN A 22 -3.497 -2.309 1.200 1.00 25.00 H new ATOM 0 HA ASN A 22 -2.645 -3.678 -1.288 1.00 25.00 H new ATOM 0 HB2 ASN A 22 -4.703 -2.564 -2.262 1.00 25.00 H new ATOM 0 HB3 ASN A 22 -4.933 -3.964 -1.233 1.00 25.00 H new ATOM 0 HD21 ASN A 22 -7.102 -2.298 0.843 1.00 25.00 H new ATOM 0 HD22 ASN A 22 -6.572 -3.785 0.049 1.00 25.00 H new ATOM 313 N LEU A 23 -2.448 -1.374 -2.595 1.00 25.00 N ATOM 314 CA LEU A 23 -1.962 -0.135 -3.207 1.00 25.00 C ATOM 315 C LEU A 23 -2.836 1.074 -2.843 1.00 25.00 C ATOM 316 O LEU A 23 -2.354 2.196 -2.794 1.00 25.00 O ATOM 317 CB LEU A 23 -1.923 -0.310 -4.733 1.00 25.00 C ATOM 318 CG LEU A 23 -1.285 0.830 -5.553 1.00 25.00 C ATOM 319 CD1 LEU A 23 0.200 1.012 -5.226 1.00 25.00 C ATOM 320 CD2 LEU A 23 -1.445 0.532 -7.041 1.00 25.00 C ATOM 0 H LEU A 23 -2.763 -2.073 -3.268 1.00 25.00 H new ATOM 0 HA LEU A 23 -0.962 0.062 -2.821 1.00 25.00 H new ATOM 0 HB2 LEU A 23 -1.382 -1.230 -4.955 1.00 25.00 H new ATOM 0 HB3 LEU A 23 -2.946 -0.449 -5.084 1.00 25.00 H new ATOM 0 HG LEU A 23 -1.797 1.756 -5.292 1.00 25.00 H new ATOM 0 HD11 LEU A 23 0.608 1.825 -5.827 1.00 25.00 H new ATOM 0 HD12 LEU A 23 0.313 1.250 -4.168 1.00 25.00 H new ATOM 0 HD13 LEU A 23 0.737 0.091 -5.450 1.00 25.00 H new ATOM 0 HD21 LEU A 23 -0.995 1.336 -7.624 1.00 25.00 H new ATOM 0 HD22 LEU A 23 -0.950 -0.409 -7.279 1.00 25.00 H new ATOM 0 HD23 LEU A 23 -2.505 0.456 -7.285 1.00 25.00 H new ATOM 332 N CYS A 24 -4.112 0.850 -2.558 1.00 25.00 N ATOM 333 CA CYS A 24 -4.992 1.956 -2.180 1.00 25.00 C ATOM 334 C CYS A 24 -4.530 2.602 -0.881 1.00 25.00 C ATOM 335 O CYS A 24 -4.409 3.810 -0.809 1.00 25.00 O ATOM 336 CB CYS A 24 -6.435 1.489 -2.016 1.00 25.00 C ATOM 337 SG CYS A 24 -7.546 2.833 -1.521 1.00 25.00 S ATOM 0 H CYS A 24 -4.558 -0.067 -2.579 1.00 25.00 H new ATOM 0 HA CYS A 24 -4.945 2.688 -2.986 1.00 25.00 H new ATOM 0 HB2 CYS A 24 -6.784 1.061 -2.955 1.00 25.00 H new ATOM 0 HB3 CYS A 24 -6.474 0.696 -1.270 1.00 25.00 H new ATOM 342 N TRP A 25 -4.239 1.806 0.138 1.00 25.00 N ATOM 343 CA TRP A 25 -3.782 2.372 1.409 1.00 25.00 C ATOM 344 C TRP A 25 -2.459 3.122 1.245 1.00 25.00 C ATOM 345 O TRP A 25 -2.237 4.131 1.904 1.00 25.00 O ATOM 346 CB TRP A 25 -3.657 1.288 2.481 1.00 25.00 C ATOM 347 CG TRP A 25 -4.992 0.725 2.902 1.00 25.00 C ATOM 348 CD1 TRP A 25 -5.412 -0.563 2.816 1.00 25.00 C ATOM 349 CD2 TRP A 25 -6.096 1.443 3.498 1.00 25.00 C ATOM 350 NE1 TRP A 25 -6.680 -0.715 3.291 1.00 25.00 N ATOM 351 CE2 TRP A 25 -7.140 0.497 3.722 1.00 25.00 C ATOM 352 CE3 TRP A 25 -6.308 2.789 3.866 1.00 25.00 C ATOM 353 CZ2 TRP A 25 -8.380 0.860 4.288 1.00 25.00 C ATOM 354 CZ3 TRP A 25 -7.556 3.159 4.434 1.00 25.00 C ATOM 355 CH2 TRP A 25 -8.578 2.185 4.638 1.00 25.00 C ATOM 0 H TRP A 25 -4.307 0.788 0.117 1.00 25.00 H new ATOM 0 HA TRP A 25 -4.535 3.090 1.735 1.00 25.00 H new ATOM 0 HB2 TRP A 25 -3.030 0.480 2.103 1.00 25.00 H new ATOM 0 HB3 TRP A 25 -3.151 1.703 3.353 1.00 25.00 H new ATOM 0 HD1 TRP A 25 -4.814 -1.370 2.419 1.00 25.00 H new ATOM 0 HE1 TRP A 25 -7.201 -1.591 3.320 1.00 25.00 H new ATOM 0 HE3 TRP A 25 -5.533 3.526 3.718 1.00 25.00 H new ATOM 0 HZ2 TRP A 25 -9.155 0.124 4.444 1.00 25.00 H new ATOM 0 HZ3 TRP A 25 -7.733 4.187 4.714 1.00 25.00 H new ATOM 0 HH2 TRP A 25 -9.520 2.485 5.072 1.00 25.00 H new ATOM 366 N LEU A 26 -1.620 2.673 0.320 1.00 25.00 N ATOM 367 CA LEU A 26 -0.373 3.380 0.005 1.00 25.00 C ATOM 368 C LEU A 26 -0.706 4.759 -0.585 1.00 25.00 C ATOM 369 O LEU A 26 -0.135 5.778 -0.191 1.00 25.00 O ATOM 370 CB LEU A 26 0.454 2.526 -0.980 1.00 25.00 C ATOM 371 CG LEU A 26 1.805 2.999 -1.551 1.00 25.00 C ATOM 372 CD1 LEU A 26 1.614 3.924 -2.752 1.00 25.00 C ATOM 373 CD2 LEU A 26 2.669 3.662 -0.514 1.00 25.00 C ATOM 0 H LEU A 26 -1.774 1.826 -0.227 1.00 25.00 H new ATOM 0 HA LEU A 26 0.220 3.533 0.907 1.00 25.00 H new ATOM 0 HB2 LEU A 26 0.641 1.572 -0.486 1.00 25.00 H new ATOM 0 HB3 LEU A 26 -0.192 2.322 -1.834 1.00 25.00 H new ATOM 0 HG LEU A 26 2.324 2.100 -1.884 1.00 25.00 H new ATOM 0 HD11 LEU A 26 2.588 4.238 -3.128 1.00 25.00 H new ATOM 0 HD12 LEU A 26 1.075 3.394 -3.537 1.00 25.00 H new ATOM 0 HD13 LEU A 26 1.043 4.801 -2.448 1.00 25.00 H new ATOM 0 HD21 LEU A 26 3.608 3.976 -0.970 1.00 25.00 H new ATOM 0 HD22 LEU A 26 2.152 4.533 -0.112 1.00 25.00 H new ATOM 0 HD23 LEU A 26 2.874 2.958 0.293 1.00 25.00 H new ATOM 385 N ASN A 27 -1.654 4.789 -1.510 1.00 25.00 N ATOM 386 CA ASN A 27 -2.063 6.035 -2.157 1.00 25.00 C ATOM 387 C ASN A 27 -2.733 6.994 -1.172 1.00 25.00 C ATOM 388 O ASN A 27 -2.462 8.184 -1.196 1.00 25.00 O ATOM 389 CB ASN A 27 -3.023 5.728 -3.312 1.00 25.00 C ATOM 390 CG ASN A 27 -3.464 6.972 -4.049 1.00 25.00 C ATOM 391 OD1 ASN A 27 -4.636 7.153 -4.312 1.00 25.00 O ATOM 392 ND2 ASN A 27 -2.532 7.818 -4.399 1.00 25.00 N ATOM 0 H ASN A 27 -2.158 3.963 -1.833 1.00 25.00 H new ATOM 0 HA ASN A 27 -1.165 6.522 -2.538 1.00 25.00 H new ATOM 0 HB2 ASN A 27 -2.537 5.049 -4.012 1.00 25.00 H new ATOM 0 HB3 ASN A 27 -3.900 5.211 -2.923 1.00 25.00 H new ATOM 0 HD21 ASN A 27 -2.778 8.665 -4.911 1.00 25.00 H new ATOM 0 HD22 ASN A 27 -1.558 7.632 -4.160 1.00 25.00 H new ATOM 399 N GLU A 28 -3.582 6.472 -0.297 1.00 25.00 N ATOM 400 CA GLU A 28 -4.266 7.298 0.702 1.00 25.00 C ATOM 401 C GLU A 28 -3.270 7.910 1.688 1.00 25.00 C ATOM 402 O GLU A 28 -3.480 9.007 2.187 1.00 25.00 O ATOM 403 CB GLU A 28 -5.296 6.466 1.481 1.00 25.00 C ATOM 404 CG GLU A 28 -6.494 6.009 0.646 1.00 25.00 C ATOM 405 CD GLU A 28 -7.276 7.156 0.078 1.00 25.00 C ATOM 406 OE1 GLU A 28 -7.840 7.977 0.743 1.00 25.00 O ATOM 407 OE2 GLU A 28 -7.298 7.175 -1.206 1.00 25.00 O ATOM 0 H GLU A 28 -3.817 5.480 -0.255 1.00 25.00 H new ATOM 0 HA GLU A 28 -4.775 8.100 0.167 1.00 25.00 H new ATOM 0 HB2 GLU A 28 -4.799 5.588 1.894 1.00 25.00 H new ATOM 0 HB3 GLU A 28 -5.658 7.054 2.324 1.00 25.00 H new ATOM 0 HG2 GLU A 28 -6.143 5.375 -0.169 1.00 25.00 H new ATOM 0 HG3 GLU A 28 -7.151 5.398 1.265 1.00 25.00 H new ATOM 414 N ALA A 29 -2.178 7.203 1.951 1.00 25.00 N ATOM 415 CA ALA A 29 -1.138 7.705 2.846 1.00 25.00 C ATOM 416 C ALA A 29 -0.277 8.772 2.149 1.00 25.00 C ATOM 417 O ALA A 29 0.448 9.517 2.802 1.00 25.00 O ATOM 418 CB ALA A 29 -0.273 6.551 3.322 1.00 25.00 C ATOM 0 H ALA A 29 -1.988 6.281 1.559 1.00 25.00 H new ATOM 0 HA ALA A 29 -1.616 8.174 3.706 1.00 25.00 H new ATOM 0 HB1 ALA A 29 0.502 6.928 3.989 1.00 25.00 H new ATOM 0 HB2 ALA A 29 -0.891 5.829 3.855 1.00 25.00 H new ATOM 0 HB3 ALA A 29 0.192 6.067 2.463 1.00 25.00 H new ATOM 424 N GLY A 30 -0.367 8.837 0.829 1.00 25.00 N ATOM 425 CA GLY A 30 0.329 9.864 0.067 1.00 25.00 C ATOM 426 C GLY A 30 1.792 9.577 -0.199 1.00 25.00 C ATOM 427 O GLY A 30 2.514 10.431 -0.712 1.00 25.00 O ATOM 0 H GLY A 30 -0.916 8.190 0.262 1.00 25.00 H new ATOM 0 HA2 GLY A 30 -0.180 9.996 -0.888 1.00 25.00 H new ATOM 0 HA3 GLY A 30 0.251 10.810 0.603 1.00 25.00 H new ATOM 431 N VAL A 31 2.250 8.382 0.136 1.00 25.00 N ATOM 432 CA VAL A 31 3.635 8.020 -0.095 1.00 25.00 C ATOM 433 C VAL A 31 3.757 7.513 -1.514 1.00 25.00 C ATOM 434 O VAL A 31 2.881 6.826 -2.025 1.00 25.00 O ATOM 435 CB VAL A 31 4.141 6.893 0.849 1.00 25.00 C ATOM 436 CG1 VAL A 31 5.619 7.111 1.179 1.00 25.00 C ATOM 437 CG2 VAL A 31 3.317 6.826 2.137 1.00 25.00 C ATOM 0 H VAL A 31 1.685 7.650 0.567 1.00 25.00 H new ATOM 0 HA VAL A 31 4.237 8.909 0.094 1.00 25.00 H new ATOM 0 HB VAL A 31 4.023 5.942 0.329 1.00 25.00 H new ATOM 0 HG11 VAL A 31 5.965 6.317 1.841 1.00 25.00 H new ATOM 0 HG12 VAL A 31 6.203 7.097 0.259 1.00 25.00 H new ATOM 0 HG13 VAL A 31 5.743 8.075 1.673 1.00 25.00 H new ATOM 0 HG21 VAL A 31 3.699 6.027 2.772 1.00 25.00 H new ATOM 0 HG22 VAL A 31 3.390 7.776 2.666 1.00 25.00 H new ATOM 0 HG23 VAL A 31 2.274 6.627 1.892 1.00 25.00 H new ATOM 447 N GLY A 32 4.877 7.816 -2.134 1.00 25.00 N ATOM 448 CA GLY A 32 5.158 7.265 -3.444 1.00 25.00 C ATOM 449 C GLY A 32 5.431 5.780 -3.295 1.00 25.00 C ATOM 450 O GLY A 32 5.929 5.338 -2.258 1.00 25.00 O ATOM 0 H GLY A 32 5.599 8.432 -1.760 1.00 25.00 H new ATOM 0 HA2 GLY A 32 4.313 7.429 -4.113 1.00 25.00 H new ATOM 0 HA3 GLY A 32 6.018 7.765 -3.888 1.00 25.00 H new ATOM 454 N LEU A 33 5.128 5.009 -4.325 1.00 25.00 N ATOM 455 CA LEU A 33 5.393 3.571 -4.322 1.00 25.00 C ATOM 456 C LEU A 33 6.889 3.340 -4.509 1.00 25.00 C ATOM 457 O LEU A 33 7.541 4.078 -5.252 1.00 25.00 O ATOM 458 CB LEU A 33 4.632 2.915 -5.481 1.00 25.00 C ATOM 459 CG LEU A 33 4.759 1.391 -5.650 1.00 25.00 C ATOM 460 CD1 LEU A 33 4.182 0.660 -4.456 1.00 25.00 C ATOM 461 CD2 LEU A 33 4.037 0.952 -6.920 1.00 25.00 C ATOM 0 H LEU A 33 4.695 5.353 -5.182 1.00 25.00 H new ATOM 0 HA LEU A 33 5.067 3.137 -3.377 1.00 25.00 H new ATOM 0 HB2 LEU A 33 3.575 3.152 -5.364 1.00 25.00 H new ATOM 0 HB3 LEU A 33 4.964 3.384 -6.408 1.00 25.00 H new ATOM 0 HG LEU A 33 5.818 1.142 -5.724 1.00 25.00 H new ATOM 0 HD11 LEU A 33 4.285 -0.415 -4.603 1.00 25.00 H new ATOM 0 HD12 LEU A 33 4.718 0.956 -3.554 1.00 25.00 H new ATOM 0 HD13 LEU A 33 3.127 0.912 -4.350 1.00 25.00 H new ATOM 0 HD21 LEU A 33 4.129 -0.128 -7.036 1.00 25.00 H new ATOM 0 HD22 LEU A 33 2.983 1.221 -6.851 1.00 25.00 H new ATOM 0 HD23 LEU A 33 4.482 1.449 -7.782 1.00 25.00 H new ATOM 473 N ASP A 34 7.429 2.305 -3.880 1.00 25.00 N ATOM 474 CA ASP A 34 8.823 1.928 -4.110 1.00 25.00 C ATOM 475 C ASP A 34 8.965 0.453 -4.457 1.00 25.00 C ATOM 476 O ASP A 34 9.515 0.113 -5.496 1.00 25.00 O ATOM 477 CB ASP A 34 9.677 2.258 -2.888 1.00 25.00 C ATOM 478 CG ASP A 34 11.059 2.710 -3.260 1.00 25.00 C ATOM 479 OD1 ASP A 34 11.293 3.475 -4.159 1.00 25.00 O ATOM 480 OD2 ASP A 34 11.982 2.225 -2.507 1.00 25.00 O ATOM 0 H ASP A 34 6.932 1.715 -3.213 1.00 25.00 H new ATOM 0 HA ASP A 34 9.175 2.507 -4.964 1.00 25.00 H new ATOM 0 HB2 ASP A 34 9.187 3.038 -2.306 1.00 25.00 H new ATOM 0 HB3 ASP A 34 9.745 1.378 -2.248 1.00 25.00 H new ATOM 485 N HIS A 35 8.519 -0.424 -3.568 1.00 25.00 N ATOM 486 CA HIS A 35 8.582 -1.869 -3.818 1.00 25.00 C ATOM 487 C HIS A 35 7.193 -2.462 -3.991 1.00 25.00 C ATOM 488 O HIS A 35 6.215 -1.920 -3.481 1.00 25.00 O ATOM 489 CB HIS A 35 9.329 -2.590 -2.691 1.00 25.00 C ATOM 490 CG HIS A 35 10.582 -1.894 -2.259 1.00 25.00 C ATOM 491 ND1 HIS A 35 10.881 -1.183 -1.139 1.00 25.00 N flip ATOM 492 CD2 HIS A 35 11.758 -1.870 -3.017 1.00 25.00 C flip ATOM 493 CE1 HIS A 35 12.172 -0.767 -1.221 1.00 25.00 C flip ATOM 494 NE2 HIS A 35 12.681 -1.185 -2.350 1.00 25.00 N flip ATOM 0 H HIS A 35 8.110 -0.168 -2.669 1.00 25.00 H new ATOM 0 HA HIS A 35 9.133 -2.014 -4.747 1.00 25.00 H new ATOM 0 HB2 HIS A 35 8.665 -2.690 -1.833 1.00 25.00 H new ATOM 0 HB3 HIS A 35 9.579 -3.599 -3.020 1.00 25.00 H new ATOM 0 HD1 HIS A 35 10.243 -0.994 -0.366 1.00 25.00 H new ATOM 0 HD2 HIS A 35 11.893 -2.332 -3.984 1.00 25.00 H new ATOM 0 HE1 HIS A 35 12.693 -0.186 -0.475 1.00 25.00 H new ATOM 502 N GLU A 36 7.136 -3.633 -4.598 1.00 25.00 N ATOM 503 CA GLU A 36 5.937 -4.459 -4.576 1.00 25.00 C ATOM 504 C GLU A 36 6.247 -5.478 -3.491 1.00 25.00 C ATOM 505 O GLU A 36 7.414 -5.802 -3.287 1.00 25.00 O ATOM 506 CB GLU A 36 5.730 -5.153 -5.923 1.00 25.00 C ATOM 507 CG GLU A 36 5.388 -4.198 -7.058 1.00 25.00 C ATOM 508 CD GLU A 36 5.319 -4.892 -8.388 1.00 25.00 C ATOM 509 OE1 GLU A 36 6.271 -5.384 -8.919 1.00 25.00 O ATOM 510 OE2 GLU A 36 4.131 -4.916 -8.901 1.00 25.00 O ATOM 0 H GLU A 36 7.914 -4.039 -5.118 1.00 25.00 H new ATOM 0 HA GLU A 36 5.026 -3.890 -4.390 1.00 25.00 H new ATOM 0 HB2 GLU A 36 6.636 -5.701 -6.182 1.00 25.00 H new ATOM 0 HB3 GLU A 36 4.930 -5.887 -5.824 1.00 25.00 H new ATOM 0 HG2 GLU A 36 4.431 -3.719 -6.851 1.00 25.00 H new ATOM 0 HG3 GLU A 36 6.137 -3.407 -7.102 1.00 25.00 H new ATOM 517 N GLY A 37 5.235 -5.961 -2.790 1.00 25.00 N ATOM 518 CA GLY A 37 5.463 -6.889 -1.699 1.00 25.00 C ATOM 519 C GLY A 37 5.707 -6.144 -0.403 1.00 25.00 C ATOM 520 O GLY A 37 5.682 -4.914 -0.364 1.00 25.00 O ATOM 0 H GLY A 37 4.256 -5.728 -2.956 1.00 25.00 H new ATOM 0 HA2 GLY A 37 4.601 -7.547 -1.589 1.00 25.00 H new ATOM 0 HA3 GLY A 37 6.320 -7.522 -1.927 1.00 25.00 H new ATOM 524 N GLU A 38 5.900 -6.894 0.670 1.00 25.00 N ATOM 525 CA GLU A 38 6.124 -6.311 1.990 1.00 25.00 C ATOM 526 C GLU A 38 7.561 -5.804 2.145 1.00 25.00 C ATOM 527 O GLU A 38 8.462 -6.241 1.432 1.00 25.00 O ATOM 528 CB GLU A 38 5.845 -7.365 3.069 1.00 25.00 C ATOM 529 CG GLU A 38 4.426 -7.932 3.021 1.00 25.00 C ATOM 530 CD GLU A 38 4.152 -8.892 4.139 1.00 25.00 C ATOM 531 OE1 GLU A 38 4.552 -10.014 4.163 1.00 25.00 O ATOM 532 OE2 GLU A 38 3.416 -8.401 5.072 1.00 25.00 O ATOM 0 H GLU A 38 5.907 -7.914 0.656 1.00 25.00 H new ATOM 0 HA GLU A 38 5.448 -5.464 2.101 1.00 25.00 H new ATOM 0 HB2 GLU A 38 6.557 -8.183 2.959 1.00 25.00 H new ATOM 0 HB3 GLU A 38 6.017 -6.922 4.050 1.00 25.00 H new ATOM 0 HG2 GLU A 38 3.709 -7.112 3.067 1.00 25.00 H new ATOM 0 HG3 GLU A 38 4.272 -8.437 2.067 1.00 25.00 H new ATOM 539 N CYS A 39 7.764 -4.928 3.117 1.00 25.00 N ATOM 540 CA CYS A 39 9.088 -4.442 3.495 1.00 25.00 C ATOM 541 C CYS A 39 9.374 -4.892 4.920 1.00 25.00 C ATOM 542 O CYS A 39 8.462 -5.317 5.637 1.00 25.00 O ATOM 543 CB CYS A 39 9.135 -2.915 3.451 1.00 25.00 C ATOM 544 SG CYS A 39 9.642 -2.236 1.846 1.00 25.00 S ATOM 0 H CYS A 39 7.008 -4.529 3.673 1.00 25.00 H new ATOM 0 HA CYS A 39 9.826 -4.840 2.799 1.00 25.00 H new ATOM 0 HB2 CYS A 39 8.149 -2.524 3.704 1.00 25.00 H new ATOM 0 HB3 CYS A 39 9.824 -2.561 4.217 1.00 25.00 H new ATOM 549 N LEU A 40 10.629 -4.748 5.319 1.00 25.00 N ATOM 550 CA LEU A 40 11.100 -5.043 6.666 1.00 25.00 C ATOM 551 C LEU A 40 12.259 -4.080 6.859 1.00 25.00 C ATOM 552 O LEU A 40 12.752 -3.910 7.988 1.00 25.00 O ATOM 553 CB LEU A 40 11.559 -6.509 6.810 1.00 25.00 C ATOM 554 CG LEU A 40 12.924 -6.936 6.224 1.00 25.00 C ATOM 555 CD1 LEU A 40 13.230 -8.354 6.701 1.00 25.00 C ATOM 556 CD2 LEU A 40 12.966 -6.899 4.693 1.00 25.00 C ATOM 557 OXT LEU A 40 12.644 -3.489 5.818 1.00 25.00 O ATOM 0 H LEU A 40 11.368 -4.414 4.700 1.00 25.00 H new ATOM 0 HA LEU A 40 10.317 -4.922 7.414 1.00 25.00 H new ATOM 0 HB2 LEU A 40 11.571 -6.745 7.874 1.00 25.00 H new ATOM 0 HB3 LEU A 40 10.795 -7.138 6.353 1.00 25.00 H new ATOM 0 HG LEU A 40 13.669 -6.222 6.574 1.00 25.00 H new ATOM 0 HD11 LEU A 40 14.191 -8.674 6.298 1.00 25.00 H new ATOM 0 HD12 LEU A 40 13.270 -8.371 7.790 1.00 25.00 H new ATOM 0 HD13 LEU A 40 12.448 -9.031 6.356 1.00 25.00 H new ATOM 0 HD21 LEU A 40 13.952 -7.210 4.348 1.00 25.00 H new ATOM 0 HD22 LEU A 40 12.211 -7.576 4.292 1.00 25.00 H new ATOM 0 HD23 LEU A 40 12.764 -5.885 4.348 1.00 25.00 H new TER 569 LEU A 40