USER MOD reduce.3.24.130724 H: found=0, std=0, add=246, rem=0, adj=12 USER MOD reduce.3.24.130724 removed 245 hydrogens (21 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 NoAdj-H: A 2 HYP H : A 2 HYP N : A 1 GLY C :(H bumps) USER MOD NoAdj-H: A 11 HYP H : A 11 HYP N : A 10 LYS C :(H bumps) USER MOD NoAdj-H: A 29 HYP H : A 29 HYP N : A 28 ALA C :(H bumps) USER MOD Single : A 1 GLY N :NH3+ -108:sc= 0.0845 (180deg=0) USER MOD Single : A 2 HYP OD1 : rot 180:sc= 0 USER MOD Single : A 3 SER OG : rot 180:sc= 0 USER MOD Single : A 6 LYS NZ :NH3+ 151:sc= 1.04 (180deg=1.01) USER MOD Single : A 10 LYS NZ :NH3+ -148:sc= -0.0246 (180deg=-0.806) USER MOD Single : A 11 HYP OD1 : rot 180:sc= 0 USER MOD Single : A 14 TYR OH : rot 180:sc= 0 USER MOD Single : A 15 HIS :FLIP no HE2:sc= -3.44 F(o=-4.7,f=-3.4) USER MOD Single : A 20 ASN : amide:sc= -0.284 X(o=-0.28,f=-0.0021) USER MOD Single : A 24 SER OG : rot 180:sc= 0 USER MOD Single : A 29 HYP OD1 : rot 180:sc= 0 USER MOD Single : A 30 SER OG : rot 180:sc= 0 USER MOD Single : A 31 THR OG1 : rot -72:sc= 0.173 USER MOD Single : A 32 ASN : amide:sc= 0.117 K(o=0.12,f=-4.6!) USER MOD ----------------------------------------------------------------- ATOM 1 N GLY A 1 13.471 -6.591 5.756 1.00 0.00 N ATOM 2 CA GLY A 1 12.236 -6.774 4.939 1.00 0.00 C ATOM 3 C GLY A 1 12.620 -7.315 3.556 1.00 0.00 C ATOM 4 O GLY A 1 13.713 -7.069 3.085 1.00 0.00 O ATOM 0 H1 GLY A 1 13.509 -7.321 6.496 1.00 0.00 H new ATOM 0 H2 GLY A 1 14.308 -6.675 5.144 1.00 0.00 H new ATOM 0 H3 GLY A 1 13.458 -5.650 6.198 1.00 0.00 H new ATOM 0 HA2 GLY A 1 11.556 -7.465 5.437 1.00 0.00 H new ATOM 0 HA3 GLY A 1 11.709 -5.825 4.838 1.00 0.00 H new HETATM 10 N HYP A 2 11.712 -8.044 2.948 1.00 0.00 N HETATM 11 CA HYP A 2 11.971 -8.627 1.616 1.00 0.00 C HETATM 12 C HYP A 2 11.584 -7.651 0.487 1.00 0.00 C HETATM 13 O HYP A 2 12.420 -6.931 -0.019 1.00 0.00 O HETATM 14 CB HYP A 2 11.095 -9.879 1.625 1.00 0.00 C HETATM 15 CG HYP A 2 9.993 -9.621 2.625 1.00 0.00 C HETATM 16 CD HYP A 2 10.377 -8.398 3.430 1.00 0.00 C HETATM 17 OD1 HYP A 2 9.795 -10.751 3.479 1.00 0.00 O HETATM 0 HD23 HYP A 2 10.385 -8.613 4.499 1.00 0.00 H new HETATM 0 HD22 HYP A 2 9.670 -7.583 3.274 1.00 0.00 H new HETATM 0 HG HYP A 2 9.051 -9.450 2.104 1.00 0.00 H new HETATM 0 HD1 HYP A 2 9.078 -10.557 4.118 1.00 0.00 H new HETATM 0 HB3 HYP A 2 10.683 -10.072 0.634 1.00 0.00 H new HETATM 0 HB2 HYP A 2 11.676 -10.758 1.905 1.00 0.00 H new HETATM 0 HA HYP A 2 13.023 -8.846 1.431 1.00 0.00 H new ATOM 25 N SER A 3 10.335 -7.623 0.083 1.00 0.00 N ATOM 26 CA SER A 3 9.928 -6.692 -1.020 1.00 0.00 C ATOM 27 C SER A 3 9.007 -5.584 -0.492 1.00 0.00 C ATOM 28 O SER A 3 9.271 -4.410 -0.674 1.00 0.00 O ATOM 29 CB SER A 3 9.189 -7.571 -2.038 1.00 0.00 C ATOM 30 OG SER A 3 9.343 -7.025 -3.344 1.00 0.00 O ATOM 0 H SER A 3 9.585 -8.199 0.465 1.00 0.00 H new ATOM 0 HA SER A 3 10.789 -6.191 -1.462 1.00 0.00 H new ATOM 0 HB2 SER A 3 9.583 -8.587 -2.009 1.00 0.00 H new ATOM 0 HB3 SER A 3 8.131 -7.632 -1.781 1.00 0.00 H new ATOM 0 HG SER A 3 8.872 -7.589 -3.992 1.00 0.00 H new ATOM 36 N PHE A 4 7.920 -5.941 0.152 1.00 0.00 N ATOM 37 CA PHE A 4 6.988 -4.892 0.672 1.00 0.00 C ATOM 38 C PHE A 4 6.701 -5.097 2.158 1.00 0.00 C ATOM 39 O PHE A 4 7.187 -6.024 2.778 1.00 0.00 O ATOM 40 CB PHE A 4 5.699 -5.066 -0.136 1.00 0.00 C ATOM 41 CG PHE A 4 5.830 -4.327 -1.449 1.00 0.00 C ATOM 42 CD1 PHE A 4 5.917 -2.929 -1.464 1.00 0.00 C ATOM 43 CD2 PHE A 4 5.867 -5.040 -2.652 1.00 0.00 C ATOM 44 CE1 PHE A 4 6.046 -2.248 -2.678 1.00 0.00 C ATOM 45 CE2 PHE A 4 5.996 -4.358 -3.868 1.00 0.00 C ATOM 46 CZ PHE A 4 6.082 -2.961 -3.883 1.00 0.00 C ATOM 0 H PHE A 4 7.641 -6.904 0.338 1.00 0.00 H new ATOM 0 HA PHE A 4 7.416 -3.895 0.569 1.00 0.00 H new ATOM 0 HB2 PHE A 4 5.510 -6.124 -0.318 1.00 0.00 H new ATOM 0 HB3 PHE A 4 4.848 -4.683 0.427 1.00 0.00 H new ATOM 0 HD1 PHE A 4 5.884 -2.377 -0.537 1.00 0.00 H new ATOM 0 HD2 PHE A 4 5.796 -6.118 -2.643 1.00 0.00 H new ATOM 0 HE1 PHE A 4 6.118 -1.170 -2.687 1.00 0.00 H new ATOM 0 HE2 PHE A 4 6.029 -4.910 -4.795 1.00 0.00 H new ATOM 0 HZ PHE A 4 6.176 -2.434 -4.821 1.00 0.00 H new ATOM 56 N CYS A 5 5.889 -4.240 2.722 1.00 0.00 N ATOM 57 CA CYS A 5 5.526 -4.370 4.167 1.00 0.00 C ATOM 58 C CYS A 5 4.757 -5.668 4.373 1.00 0.00 C ATOM 59 O CYS A 5 4.878 -6.323 5.389 1.00 0.00 O ATOM 60 CB CYS A 5 4.601 -3.186 4.473 1.00 0.00 C ATOM 61 SG CYS A 5 5.556 -1.647 4.615 1.00 0.00 S ATOM 0 H CYS A 5 5.459 -3.450 2.241 1.00 0.00 H new ATOM 0 HA CYS A 5 6.407 -4.377 4.809 1.00 0.00 H new ATOM 0 HB2 CYS A 5 3.856 -3.086 3.684 1.00 0.00 H new ATOM 0 HB3 CYS A 5 4.060 -3.371 5.401 1.00 0.00 H new ATOM 66 N LYS A 6 3.944 -6.027 3.414 1.00 0.00 N ATOM 67 CA LYS A 6 3.137 -7.267 3.536 1.00 0.00 C ATOM 68 C LYS A 6 2.976 -7.936 2.165 1.00 0.00 C ATOM 69 O LYS A 6 3.197 -9.119 2.025 1.00 0.00 O ATOM 70 CB LYS A 6 1.805 -6.768 4.122 1.00 0.00 C ATOM 71 CG LYS A 6 0.652 -6.900 3.118 1.00 0.00 C ATOM 72 CD LYS A 6 -0.684 -6.861 3.863 1.00 0.00 C ATOM 73 CE LYS A 6 -1.058 -8.270 4.343 1.00 0.00 C ATOM 74 NZ LYS A 6 -1.250 -8.146 5.814 1.00 0.00 N ATOM 0 H LYS A 6 3.807 -5.507 2.547 1.00 0.00 H new ATOM 0 HA LYS A 6 3.589 -8.033 4.166 1.00 0.00 H new ATOM 0 HB2 LYS A 6 1.569 -7.336 5.022 1.00 0.00 H new ATOM 0 HB3 LYS A 6 1.908 -5.725 4.421 1.00 0.00 H new ATOM 0 HG2 LYS A 6 0.697 -6.091 2.389 1.00 0.00 H new ATOM 0 HG3 LYS A 6 0.744 -7.834 2.564 1.00 0.00 H new ATOM 0 HD2 LYS A 6 -0.615 -6.184 4.714 1.00 0.00 H new ATOM 0 HD3 LYS A 6 -1.464 -6.472 3.208 1.00 0.00 H new ATOM 0 HE2 LYS A 6 -1.967 -8.623 3.856 1.00 0.00 H new ATOM 0 HE3 LYS A 6 -0.272 -8.987 4.108 1.00 0.00 H new ATOM 0 HZ1 LYS A 6 -1.941 -8.854 6.135 1.00 0.00 H new ATOM 0 HZ2 LYS A 6 -0.343 -8.304 6.297 1.00 0.00 H new ATOM 0 HZ3 LYS A 6 -1.601 -7.193 6.039 1.00 0.00 H new ATOM 88 N ALA A 7 2.595 -7.191 1.158 1.00 0.00 N ATOM 89 CA ALA A 7 2.421 -7.786 -0.203 1.00 0.00 C ATOM 90 C ALA A 7 2.238 -6.679 -1.249 1.00 0.00 C ATOM 91 O ALA A 7 2.406 -5.508 -0.958 1.00 0.00 O ATOM 92 CB ALA A 7 1.152 -8.649 -0.110 1.00 0.00 C ATOM 0 H ALA A 7 2.396 -6.192 1.220 1.00 0.00 H new ATOM 0 HA ALA A 7 3.289 -8.371 -0.506 1.00 0.00 H new ATOM 0 HB1 ALA A 7 0.960 -9.119 -1.075 1.00 0.00 H new ATOM 0 HB2 ALA A 7 1.291 -9.420 0.648 1.00 0.00 H new ATOM 0 HB3 ALA A 7 0.304 -8.021 0.163 1.00 0.00 H new ATOM 98 N ASP A 8 1.889 -7.051 -2.458 1.00 0.00 N ATOM 99 CA ASP A 8 1.681 -6.060 -3.556 1.00 0.00 C ATOM 100 C ASP A 8 0.854 -6.701 -4.670 1.00 0.00 C ATOM 101 O ASP A 8 0.837 -7.909 -4.815 1.00 0.00 O ATOM 102 CB ASP A 8 3.084 -5.710 -4.065 1.00 0.00 C ATOM 103 CG ASP A 8 3.825 -6.982 -4.504 1.00 0.00 C ATOM 104 OD1 ASP A 8 4.254 -7.729 -3.639 1.00 0.00 O ATOM 105 OD2 ASP A 8 3.959 -7.187 -5.697 1.00 0.00 O ATOM 0 H ASP A 8 1.737 -8.021 -2.733 1.00 0.00 H new ATOM 0 HA ASP A 8 1.147 -5.172 -3.217 1.00 0.00 H new ATOM 0 HB2 ASP A 8 3.012 -5.016 -4.902 1.00 0.00 H new ATOM 0 HB3 ASP A 8 3.647 -5.205 -3.280 1.00 0.00 H new ATOM 110 N GLU A 9 0.145 -5.909 -5.432 1.00 0.00 N ATOM 111 CA GLU A 9 -0.721 -6.471 -6.522 1.00 0.00 C ATOM 112 C GLU A 9 -1.599 -7.599 -5.956 1.00 0.00 C ATOM 113 O GLU A 9 -2.025 -8.498 -6.663 1.00 0.00 O ATOM 114 CB GLU A 9 0.233 -7.008 -7.596 1.00 0.00 C ATOM 115 CG GLU A 9 1.280 -5.940 -7.962 1.00 0.00 C ATOM 116 CD GLU A 9 0.782 -5.102 -9.137 1.00 0.00 C ATOM 117 OE1 GLU A 9 -0.212 -4.418 -8.979 1.00 0.00 O ATOM 118 OE2 GLU A 9 1.400 -5.164 -10.187 1.00 0.00 O ATOM 0 H GLU A 9 0.126 -4.893 -5.349 1.00 0.00 H new ATOM 0 HA GLU A 9 -1.388 -5.717 -6.940 1.00 0.00 H new ATOM 0 HB2 GLU A 9 0.732 -7.907 -7.233 1.00 0.00 H new ATOM 0 HB3 GLU A 9 -0.331 -7.293 -8.484 1.00 0.00 H new ATOM 0 HG2 GLU A 9 1.472 -5.298 -7.102 1.00 0.00 H new ATOM 0 HG3 GLU A 9 2.225 -6.418 -8.220 1.00 0.00 H new ATOM 125 N LYS A 10 -1.871 -7.545 -4.677 1.00 0.00 N ATOM 126 CA LYS A 10 -2.716 -8.575 -4.019 1.00 0.00 C ATOM 127 C LYS A 10 -3.803 -7.862 -3.215 1.00 0.00 C ATOM 128 O LYS A 10 -3.592 -6.763 -2.734 1.00 0.00 O ATOM 129 CB LYS A 10 -1.761 -9.360 -3.106 1.00 0.00 C ATOM 130 CG LYS A 10 -0.861 -10.263 -3.966 1.00 0.00 C ATOM 131 CD LYS A 10 0.287 -10.830 -3.114 1.00 0.00 C ATOM 132 CE LYS A 10 1.635 -10.616 -3.824 1.00 0.00 C ATOM 133 NZ LYS A 10 1.513 -11.307 -5.139 1.00 0.00 N ATOM 0 H LYS A 10 -1.533 -6.813 -4.052 1.00 0.00 H new ATOM 0 HA LYS A 10 -3.212 -9.247 -4.720 1.00 0.00 H new ATOM 0 HB2 LYS A 10 -1.151 -8.672 -2.521 1.00 0.00 H new ATOM 0 HB3 LYS A 10 -2.330 -9.963 -2.398 1.00 0.00 H new ATOM 0 HG2 LYS A 10 -1.448 -11.079 -4.388 1.00 0.00 H new ATOM 0 HG3 LYS A 10 -0.456 -9.695 -4.804 1.00 0.00 H new ATOM 0 HD2 LYS A 10 0.300 -10.343 -2.139 1.00 0.00 H new ATOM 0 HD3 LYS A 10 0.126 -11.893 -2.937 1.00 0.00 H new ATOM 0 HE2 LYS A 10 1.843 -9.554 -3.957 1.00 0.00 H new ATOM 0 HE3 LYS A 10 2.456 -11.030 -3.239 1.00 0.00 H new ATOM 0 HZ1 LYS A 10 2.442 -11.677 -5.424 1.00 0.00 H new ATOM 0 HZ2 LYS A 10 0.838 -12.094 -5.057 1.00 0.00 H new ATOM 0 HZ3 LYS A 10 1.174 -10.633 -5.855 1.00 0.00 H new HETATM 147 N HYP A 11 -4.943 -8.484 -3.132 1.00 0.00 N HETATM 148 CA HYP A 11 -6.090 -7.876 -2.418 1.00 0.00 C HETATM 149 C HYP A 11 -5.831 -7.655 -0.920 1.00 0.00 C HETATM 150 O HYP A 11 -5.157 -8.420 -0.260 1.00 0.00 O HETATM 151 CB HYP A 11 -7.226 -8.865 -2.658 1.00 0.00 C HETATM 152 CG HYP A 11 -6.548 -10.164 -2.947 1.00 0.00 C HETATM 153 CD HYP A 11 -5.280 -9.800 -3.675 1.00 0.00 C HETATM 154 OD1 HYP A 11 -7.378 -11.027 -3.733 1.00 0.00 O HETATM 0 HD23 HYP A 11 -5.433 -9.763 -4.754 1.00 0.00 H new HETATM 0 HD22 HYP A 11 -4.488 -10.526 -3.490 1.00 0.00 H new HETATM 0 HG HYP A 11 -6.339 -10.719 -2.033 1.00 0.00 H new HETATM 0 HD1 HYP A 11 -6.905 -11.868 -3.906 1.00 0.00 H new HETATM 0 HB3 HYP A 11 -7.874 -8.943 -1.785 1.00 0.00 H new HETATM 0 HB2 HYP A 11 -7.853 -8.552 -3.493 1.00 0.00 H new HETATM 0 HA HYP A 11 -6.307 -6.873 -2.786 1.00 0.00 H new ATOM 162 N CYS A 12 -6.386 -6.591 -0.397 1.00 0.00 N ATOM 163 CA CYS A 12 -6.234 -6.239 1.050 1.00 0.00 C ATOM 164 C CYS A 12 -7.236 -5.127 1.382 1.00 0.00 C ATOM 165 O CYS A 12 -7.710 -4.441 0.497 1.00 0.00 O ATOM 166 CB CYS A 12 -4.795 -5.745 1.213 1.00 0.00 C ATOM 167 SG CYS A 12 -4.446 -4.457 -0.009 1.00 0.00 S ATOM 0 H CYS A 12 -6.955 -5.932 -0.928 1.00 0.00 H new ATOM 0 HA CYS A 12 -6.426 -7.080 1.716 1.00 0.00 H new ATOM 0 HB2 CYS A 12 -4.647 -5.354 2.220 1.00 0.00 H new ATOM 0 HB3 CYS A 12 -4.100 -6.575 1.088 1.00 0.00 H new ATOM 172 N GLU A 13 -7.582 -4.949 2.629 1.00 0.00 N ATOM 173 CA GLU A 13 -8.580 -3.887 2.975 1.00 0.00 C ATOM 174 C GLU A 13 -7.920 -2.676 3.658 1.00 0.00 C ATOM 175 O GLU A 13 -8.156 -1.541 3.288 1.00 0.00 O ATOM 176 CB GLU A 13 -9.567 -4.567 3.926 1.00 0.00 C ATOM 177 CG GLU A 13 -10.993 -4.365 3.412 1.00 0.00 C ATOM 178 CD GLU A 13 -11.280 -5.367 2.294 1.00 0.00 C ATOM 179 OE1 GLU A 13 -11.657 -6.484 2.598 1.00 0.00 O ATOM 180 OE2 GLU A 13 -11.110 -5.002 1.147 1.00 0.00 O ATOM 0 H GLU A 13 -7.223 -5.486 3.418 1.00 0.00 H new ATOM 0 HA GLU A 13 -9.063 -3.494 2.080 1.00 0.00 H new ATOM 0 HB2 GLU A 13 -9.343 -5.631 3.999 1.00 0.00 H new ATOM 0 HB3 GLU A 13 -9.468 -4.151 4.928 1.00 0.00 H new ATOM 0 HG2 GLU A 13 -11.706 -4.498 4.226 1.00 0.00 H new ATOM 0 HG3 GLU A 13 -11.117 -3.347 3.043 1.00 0.00 H new ATOM 187 N TYR A 14 -7.119 -2.899 4.663 1.00 0.00 N ATOM 188 CA TYR A 14 -6.475 -1.750 5.376 1.00 0.00 C ATOM 189 C TYR A 14 -5.355 -1.137 4.527 1.00 0.00 C ATOM 190 O TYR A 14 -4.559 -1.837 3.931 1.00 0.00 O ATOM 191 CB TYR A 14 -5.922 -2.340 6.676 1.00 0.00 C ATOM 192 CG TYR A 14 -7.066 -2.656 7.606 1.00 0.00 C ATOM 193 CD1 TYR A 14 -7.570 -1.668 8.462 1.00 0.00 C ATOM 194 CD2 TYR A 14 -7.637 -3.938 7.607 1.00 0.00 C ATOM 195 CE1 TYR A 14 -8.636 -1.961 9.322 1.00 0.00 C ATOM 196 CE2 TYR A 14 -8.703 -4.230 8.467 1.00 0.00 C ATOM 197 CZ TYR A 14 -9.204 -3.243 9.320 1.00 0.00 C ATOM 198 OH TYR A 14 -10.254 -3.533 10.165 1.00 0.00 O ATOM 0 H TYR A 14 -6.880 -3.823 5.024 1.00 0.00 H new ATOM 0 HA TYR A 14 -7.183 -0.944 5.569 1.00 0.00 H new ATOM 0 HB2 TYR A 14 -5.350 -3.243 6.464 1.00 0.00 H new ATOM 0 HB3 TYR A 14 -5.239 -1.634 7.148 1.00 0.00 H new ATOM 0 HD1 TYR A 14 -7.136 -0.679 8.459 1.00 0.00 H new ATOM 0 HD2 TYR A 14 -7.254 -4.700 6.944 1.00 0.00 H new ATOM 0 HE1 TYR A 14 -9.020 -1.201 9.986 1.00 0.00 H new ATOM 0 HE2 TYR A 14 -9.138 -5.218 8.471 1.00 0.00 H new ATOM 0 HH TYR A 14 -10.530 -4.465 10.036 1.00 0.00 H new ATOM 208 N HIS A 15 -5.296 0.171 4.463 1.00 0.00 N ATOM 209 CA HIS A 15 -4.229 0.840 3.643 1.00 0.00 C ATOM 210 C HIS A 15 -2.874 0.761 4.362 1.00 0.00 C ATOM 211 O HIS A 15 -1.875 0.387 3.774 1.00 0.00 O ATOM 212 CB HIS A 15 -4.667 2.305 3.487 1.00 0.00 C ATOM 213 CG HIS A 15 -5.831 2.411 2.534 1.00 0.00 C ATOM 214 ND1 HIS A 15 -5.897 2.603 1.171 1.00 0.00 N flip ATOM 215 CD2 HIS A 15 -7.146 2.341 2.965 1.00 0.00 C flip ATOM 216 CE1 HIS A 15 -7.228 2.652 0.769 1.00 0.00 C flip ATOM 217 NE2 HIS A 15 -7.936 2.490 1.886 1.00 0.00 N flip ATOM 0 H HIS A 15 -5.937 0.805 4.940 1.00 0.00 H new ATOM 0 HA HIS A 15 -4.109 0.355 2.674 1.00 0.00 H new ATOM 0 HB2 HIS A 15 -4.947 2.712 4.459 1.00 0.00 H new ATOM 0 HB3 HIS A 15 -3.833 2.903 3.119 1.00 0.00 H new ATOM 0 HD1 HIS A 15 -5.092 2.695 0.551 1.00 0.00 H new ATOM 0 HD2 HIS A 15 -7.477 2.194 3.982 1.00 0.00 H new ATOM 0 HE1 HIS A 15 -7.606 2.791 -0.233 1.00 0.00 H new ATOM 225 N ALA A 16 -2.836 1.112 5.626 1.00 0.00 N ATOM 226 CA ALA A 16 -1.549 1.068 6.399 1.00 0.00 C ATOM 227 C ALA A 16 -0.954 -0.351 6.425 1.00 0.00 C ATOM 228 O ALA A 16 0.230 -0.529 6.644 1.00 0.00 O ATOM 229 CB ALA A 16 -1.922 1.505 7.817 1.00 0.00 C ATOM 0 H ALA A 16 -3.645 1.429 6.160 1.00 0.00 H new ATOM 0 HA ALA A 16 -0.794 1.710 5.945 1.00 0.00 H new ATOM 0 HB1 ALA A 16 -1.032 1.499 8.446 1.00 0.00 H new ATOM 0 HB2 ALA A 16 -2.340 2.511 7.790 1.00 0.00 H new ATOM 0 HB3 ALA A 16 -2.661 0.817 8.227 1.00 0.00 H new ATOM 235 N ASP A 17 -1.759 -1.364 6.200 1.00 0.00 N ATOM 236 CA ASP A 17 -1.234 -2.772 6.212 1.00 0.00 C ATOM 237 C ASP A 17 -0.189 -2.991 5.099 1.00 0.00 C ATOM 238 O ASP A 17 0.501 -3.992 5.078 1.00 0.00 O ATOM 239 CB ASP A 17 -2.466 -3.658 5.969 1.00 0.00 C ATOM 240 CG ASP A 17 -2.345 -4.953 6.768 1.00 0.00 C ATOM 241 OD1 ASP A 17 -2.037 -4.885 7.947 1.00 0.00 O ATOM 242 OD2 ASP A 17 -2.567 -6.001 6.191 1.00 0.00 O ATOM 0 H ASP A 17 -2.757 -1.278 6.008 1.00 0.00 H new ATOM 0 HA ASP A 17 -0.733 -3.003 7.152 1.00 0.00 H new ATOM 0 HB2 ASP A 17 -3.371 -3.125 6.261 1.00 0.00 H new ATOM 0 HB3 ASP A 17 -2.558 -3.884 4.907 1.00 0.00 H new ATOM 247 N CYS A 18 -0.066 -2.067 4.178 1.00 0.00 N ATOM 248 CA CYS A 18 0.934 -2.221 3.077 1.00 0.00 C ATOM 249 C CYS A 18 1.958 -1.074 3.125 1.00 0.00 C ATOM 250 O CYS A 18 1.716 -0.052 3.728 1.00 0.00 O ATOM 251 CB CYS A 18 0.107 -2.157 1.792 1.00 0.00 C ATOM 252 SG CYS A 18 -0.256 -3.838 1.229 1.00 0.00 S ATOM 0 H CYS A 18 -0.617 -1.210 4.142 1.00 0.00 H new ATOM 0 HA CYS A 18 1.501 -3.149 3.153 1.00 0.00 H new ATOM 0 HB2 CYS A 18 -0.820 -1.613 1.970 1.00 0.00 H new ATOM 0 HB3 CYS A 18 0.653 -1.613 1.021 1.00 0.00 H new ATOM 257 N CYS A 19 3.096 -1.235 2.487 1.00 0.00 N ATOM 258 CA CYS A 19 4.132 -0.141 2.506 1.00 0.00 C ATOM 259 C CYS A 19 3.599 1.132 1.828 1.00 0.00 C ATOM 260 O CYS A 19 4.106 2.209 2.052 1.00 0.00 O ATOM 261 CB CYS A 19 5.338 -0.681 1.728 1.00 0.00 C ATOM 262 SG CYS A 19 6.530 -1.473 2.852 1.00 0.00 S ATOM 0 H CYS A 19 3.354 -2.068 1.957 1.00 0.00 H new ATOM 0 HA CYS A 19 4.396 0.126 3.529 1.00 0.00 H new ATOM 0 HB2 CYS A 19 5.002 -1.400 0.981 1.00 0.00 H new ATOM 0 HB3 CYS A 19 5.824 0.133 1.190 1.00 0.00 H new ATOM 267 N ASN A 20 2.591 1.020 0.999 1.00 0.00 N ATOM 268 CA ASN A 20 2.042 2.233 0.318 1.00 0.00 C ATOM 269 C ASN A 20 0.553 2.375 0.662 1.00 0.00 C ATOM 270 O ASN A 20 0.191 3.123 1.547 1.00 0.00 O ATOM 271 CB ASN A 20 2.256 2.027 -1.198 1.00 0.00 C ATOM 272 CG ASN A 20 3.432 1.076 -1.451 1.00 0.00 C ATOM 273 OD1 ASN A 20 4.548 1.506 -1.643 1.00 0.00 O ATOM 274 ND2 ASN A 20 3.227 -0.210 -1.451 1.00 0.00 N ATOM 0 H ASN A 20 2.125 0.143 0.765 1.00 0.00 H new ATOM 0 HA ASN A 20 2.540 3.147 0.642 1.00 0.00 H new ATOM 0 HB2 ASN A 20 1.350 1.621 -1.647 1.00 0.00 H new ATOM 0 HB3 ASN A 20 2.447 2.987 -1.678 1.00 0.00 H new ATOM 0 HD21 ASN A 20 4.004 -0.850 -1.612 1.00 0.00 H new ATOM 0 HD22 ASN A 20 2.289 -0.577 -1.290 1.00 0.00 H new ATOM 281 N CYS A 21 -0.319 1.657 -0.009 1.00 0.00 N ATOM 282 CA CYS A 21 -1.772 1.767 0.322 1.00 0.00 C ATOM 283 C CYS A 21 -2.555 0.566 -0.232 1.00 0.00 C ATOM 284 O CYS A 21 -2.078 -0.168 -1.077 1.00 0.00 O ATOM 285 CB CYS A 21 -2.242 3.072 -0.339 1.00 0.00 C ATOM 286 SG CYS A 21 -2.932 4.170 0.932 1.00 0.00 S ATOM 0 H CYS A 21 -0.089 1.008 -0.762 1.00 0.00 H new ATOM 0 HA CYS A 21 -1.939 1.773 1.399 1.00 0.00 H new ATOM 0 HB2 CYS A 21 -1.408 3.559 -0.844 1.00 0.00 H new ATOM 0 HB3 CYS A 21 -2.993 2.859 -1.099 1.00 0.00 H new ATOM 291 N CYS A 22 -3.761 0.382 0.233 1.00 0.00 N ATOM 292 CA CYS A 22 -4.613 -0.743 -0.266 1.00 0.00 C ATOM 293 C CYS A 22 -5.920 -0.156 -0.814 1.00 0.00 C ATOM 294 O CYS A 22 -6.873 0.034 -0.088 1.00 0.00 O ATOM 295 CB CYS A 22 -4.901 -1.628 0.952 1.00 0.00 C ATOM 296 SG CYS A 22 -3.660 -2.941 1.072 1.00 0.00 S ATOM 0 H CYS A 22 -4.199 0.967 0.944 1.00 0.00 H new ATOM 0 HA CYS A 22 -4.129 -1.315 -1.058 1.00 0.00 H new ATOM 0 HB2 CYS A 22 -4.893 -1.025 1.860 1.00 0.00 H new ATOM 0 HB3 CYS A 22 -5.896 -2.064 0.868 1.00 0.00 H new ATOM 301 N LEU A 23 -5.966 0.143 -2.081 1.00 0.00 N ATOM 302 CA LEU A 23 -7.208 0.731 -2.664 1.00 0.00 C ATOM 303 C LEU A 23 -8.139 -0.395 -3.119 1.00 0.00 C ATOM 304 O LEU A 23 -7.796 -1.538 -3.000 1.00 0.00 O ATOM 305 CB LEU A 23 -6.738 1.584 -3.844 1.00 0.00 C ATOM 306 CG LEU A 23 -6.900 3.068 -3.508 1.00 0.00 C ATOM 307 CD1 LEU A 23 -5.964 3.442 -2.350 1.00 0.00 C ATOM 308 CD2 LEU A 23 -6.547 3.913 -4.735 1.00 0.00 C ATOM 0 H LEU A 23 -5.199 0.007 -2.740 1.00 0.00 H new ATOM 0 HA LEU A 23 -7.768 1.334 -1.949 1.00 0.00 H new ATOM 0 HB2 LEU A 23 -5.695 1.365 -4.070 1.00 0.00 H new ATOM 0 HB3 LEU A 23 -7.316 1.338 -4.735 1.00 0.00 H new ATOM 0 HG LEU A 23 -7.933 3.258 -3.217 1.00 0.00 H new ATOM 0 HD11 LEU A 23 -6.082 4.499 -2.114 1.00 0.00 H new ATOM 0 HD12 LEU A 23 -6.213 2.844 -1.473 1.00 0.00 H new ATOM 0 HD13 LEU A 23 -4.931 3.248 -2.640 1.00 0.00 H new ATOM 0 HD21 LEU A 23 -6.663 4.970 -4.495 1.00 0.00 H new ATOM 0 HD22 LEU A 23 -5.515 3.718 -5.026 1.00 0.00 H new ATOM 0 HD23 LEU A 23 -7.212 3.653 -5.559 1.00 0.00 H new ATOM 320 N SER A 24 -9.302 -0.054 -3.628 1.00 0.00 N ATOM 321 CA SER A 24 -10.340 -1.055 -4.098 1.00 0.00 C ATOM 322 C SER A 24 -9.971 -2.533 -3.821 1.00 0.00 C ATOM 323 O SER A 24 -9.927 -3.356 -4.719 1.00 0.00 O ATOM 324 CB SER A 24 -10.454 -0.808 -5.605 1.00 0.00 C ATOM 325 OG SER A 24 -11.518 0.106 -5.860 1.00 0.00 O ATOM 0 H SER A 24 -9.593 0.917 -3.745 1.00 0.00 H new ATOM 0 HA SER A 24 -11.273 -0.908 -3.553 1.00 0.00 H new ATOM 0 HB2 SER A 24 -9.516 -0.407 -5.990 1.00 0.00 H new ATOM 0 HB3 SER A 24 -10.636 -1.748 -6.125 1.00 0.00 H new ATOM 0 HG SER A 24 -11.589 0.265 -6.824 1.00 0.00 H new ATOM 331 N GLY A 25 -9.751 -2.870 -2.569 1.00 0.00 N ATOM 332 CA GLY A 25 -9.425 -4.282 -2.192 1.00 0.00 C ATOM 333 C GLY A 25 -8.087 -4.771 -2.783 1.00 0.00 C ATOM 334 O GLY A 25 -7.943 -5.946 -3.014 1.00 0.00 O ATOM 0 H GLY A 25 -9.784 -2.218 -1.786 1.00 0.00 H new ATOM 0 HA2 GLY A 25 -9.387 -4.362 -1.106 1.00 0.00 H new ATOM 0 HA3 GLY A 25 -10.227 -4.937 -2.532 1.00 0.00 H new ATOM 338 N ILE A 26 -7.103 -3.911 -3.014 1.00 0.00 N ATOM 339 CA ILE A 26 -5.779 -4.396 -3.572 1.00 0.00 C ATOM 340 C ILE A 26 -4.619 -3.595 -2.965 1.00 0.00 C ATOM 341 O ILE A 26 -4.777 -2.445 -2.596 1.00 0.00 O ATOM 342 CB ILE A 26 -5.789 -4.167 -5.097 1.00 0.00 C ATOM 343 CG1 ILE A 26 -7.215 -4.219 -5.660 1.00 0.00 C ATOM 344 CG2 ILE A 26 -4.927 -5.242 -5.776 1.00 0.00 C ATOM 345 CD1 ILE A 26 -7.668 -5.673 -5.825 1.00 0.00 C ATOM 0 H ILE A 26 -7.158 -2.907 -2.843 1.00 0.00 H new ATOM 0 HA ILE A 26 -5.647 -5.451 -3.332 1.00 0.00 H new ATOM 0 HB ILE A 26 -5.382 -3.176 -5.299 1.00 0.00 H new ATOM 0 HG12 ILE A 26 -7.896 -3.692 -4.992 1.00 0.00 H new ATOM 0 HG13 ILE A 26 -7.253 -3.708 -6.622 1.00 0.00 H new ATOM 0 HG21 ILE A 26 -4.931 -5.084 -6.854 1.00 0.00 H new ATOM 0 HG22 ILE A 26 -3.905 -5.177 -5.404 1.00 0.00 H new ATOM 0 HG23 ILE A 26 -5.333 -6.229 -5.552 1.00 0.00 H new ATOM 0 HD11 ILE A 26 -8.682 -5.695 -6.225 1.00 0.00 H new ATOM 0 HD12 ILE A 26 -6.996 -6.188 -6.511 1.00 0.00 H new ATOM 0 HD13 ILE A 26 -7.650 -6.172 -4.856 1.00 0.00 H new ATOM 357 N CYS A 27 -3.448 -4.186 -2.874 1.00 0.00 N ATOM 358 CA CYS A 27 -2.275 -3.457 -2.306 1.00 0.00 C ATOM 359 C CYS A 27 -1.362 -2.973 -3.438 1.00 0.00 C ATOM 360 O CYS A 27 -0.665 -3.751 -4.061 1.00 0.00 O ATOM 361 CB CYS A 27 -1.545 -4.483 -1.434 1.00 0.00 C ATOM 362 SG CYS A 27 -0.030 -3.744 -0.776 1.00 0.00 S ATOM 0 H CYS A 27 -3.258 -5.143 -3.170 1.00 0.00 H new ATOM 0 HA CYS A 27 -2.574 -2.579 -1.733 1.00 0.00 H new ATOM 0 HB2 CYS A 27 -2.190 -4.806 -0.617 1.00 0.00 H new ATOM 0 HB3 CYS A 27 -1.305 -5.370 -2.020 1.00 0.00 H new ATOM 367 N ALA A 28 -1.357 -1.696 -3.711 1.00 0.00 N ATOM 368 CA ALA A 28 -0.488 -1.166 -4.811 1.00 0.00 C ATOM 369 C ALA A 28 -0.187 0.321 -4.591 1.00 0.00 C ATOM 370 O ALA A 28 -0.832 0.967 -3.781 1.00 0.00 O ATOM 371 CB ALA A 28 -1.304 -1.358 -6.097 1.00 0.00 C ATOM 0 H ALA A 28 -1.915 -0.995 -3.223 1.00 0.00 H new ATOM 0 HA ALA A 28 0.472 -1.681 -4.853 1.00 0.00 H new ATOM 0 HB1 ALA A 28 -0.731 -0.992 -6.949 1.00 0.00 H new ATOM 0 HB2 ALA A 28 -1.523 -2.417 -6.235 1.00 0.00 H new ATOM 0 HB3 ALA A 28 -2.238 -0.802 -6.022 1.00 0.00 H new HETATM 377 N HYP A 29 0.782 0.820 -5.326 1.00 0.00 N HETATM 378 CA HYP A 29 1.164 2.253 -5.218 1.00 0.00 C HETATM 379 C HYP A 29 0.099 3.140 -5.880 1.00 0.00 C HETATM 380 O HYP A 29 -0.857 2.654 -6.456 1.00 0.00 O HETATM 381 CB HYP A 29 2.480 2.330 -5.982 1.00 0.00 C HETATM 382 CG HYP A 29 2.439 1.187 -6.954 1.00 0.00 C HETATM 383 CD HYP A 29 1.610 0.105 -6.307 1.00 0.00 C HETATM 384 OD1 HYP A 29 1.878 1.586 -8.207 1.00 0.00 O HETATM 0 HD23 HYP A 29 2.239 -0.644 -5.826 1.00 0.00 H new HETATM 0 HD22 HYP A 29 0.996 -0.418 -7.040 1.00 0.00 H new HETATM 0 HG HYP A 29 3.445 0.831 -7.174 1.00 0.00 H new HETATM 0 HD1 HYP A 29 1.867 0.821 -8.819 1.00 0.00 H new HETATM 0 HB3 HYP A 29 2.579 3.284 -6.500 1.00 0.00 H new HETATM 0 HB2 HYP A 29 3.332 2.243 -5.308 1.00 0.00 H new HETATM 0 HA HYP A 29 1.253 2.597 -4.188 1.00 0.00 H new ATOM 392 N SER A 30 0.262 4.436 -5.813 1.00 0.00 N ATOM 393 CA SER A 30 -0.741 5.351 -6.441 1.00 0.00 C ATOM 394 C SER A 30 -0.082 6.170 -7.559 1.00 0.00 C ATOM 395 O SER A 30 1.129 6.228 -7.670 1.00 0.00 O ATOM 396 CB SER A 30 -1.217 6.276 -5.311 1.00 0.00 C ATOM 397 OG SER A 30 -1.158 5.589 -4.059 1.00 0.00 O ATOM 0 H SER A 30 1.044 4.901 -5.352 1.00 0.00 H new ATOM 0 HA SER A 30 -1.569 4.801 -6.889 1.00 0.00 H new ATOM 0 HB2 SER A 30 -0.594 7.170 -5.275 1.00 0.00 H new ATOM 0 HB3 SER A 30 -2.237 6.607 -5.506 1.00 0.00 H new ATOM 0 HG SER A 30 -1.461 6.186 -3.344 1.00 0.00 H new ATOM 403 N THR A 31 -0.871 6.822 -8.381 1.00 0.00 N ATOM 404 CA THR A 31 -0.295 7.659 -9.489 1.00 0.00 C ATOM 405 C THR A 31 0.355 8.943 -8.934 1.00 0.00 C ATOM 406 O THR A 31 0.916 9.728 -9.676 1.00 0.00 O ATOM 407 CB THR A 31 -1.481 8.009 -10.405 1.00 0.00 C ATOM 408 OG1 THR A 31 -2.694 7.489 -9.863 1.00 0.00 O ATOM 409 CG2 THR A 31 -1.245 7.410 -11.791 1.00 0.00 C ATOM 0 H THR A 31 -1.890 6.812 -8.334 1.00 0.00 H new ATOM 0 HA THR A 31 0.487 7.122 -10.025 1.00 0.00 H new ATOM 0 HB THR A 31 -1.564 9.093 -10.480 1.00 0.00 H new ATOM 0 HG1 THR A 31 -2.706 6.514 -9.963 1.00 0.00 H new ATOM 0 HG21 THR A 31 -2.084 7.657 -12.442 1.00 0.00 H new ATOM 0 HG22 THR A 31 -0.327 7.819 -12.212 1.00 0.00 H new ATOM 0 HG23 THR A 31 -1.156 6.327 -11.709 1.00 0.00 H new ATOM 417 N ASN A 32 0.285 9.162 -7.643 1.00 0.00 N ATOM 418 CA ASN A 32 0.903 10.385 -7.042 1.00 0.00 C ATOM 419 C ASN A 32 2.380 10.101 -6.733 1.00 0.00 C ATOM 420 O ASN A 32 2.993 9.234 -7.327 1.00 0.00 O ATOM 421 CB ASN A 32 0.124 10.652 -5.742 1.00 0.00 C ATOM 422 CG ASN A 32 -1.379 10.445 -5.962 1.00 0.00 C ATOM 423 OD1 ASN A 32 -1.863 9.330 -5.903 1.00 0.00 O ATOM 424 ND2 ASN A 32 -2.140 11.469 -6.218 1.00 0.00 N ATOM 0 H ASN A 32 -0.176 8.543 -6.977 1.00 0.00 H new ATOM 0 HA ASN A 32 0.859 11.245 -7.710 1.00 0.00 H new ATOM 0 HB2 ASN A 32 0.477 9.984 -4.956 1.00 0.00 H new ATOM 0 HB3 ASN A 32 0.311 11.671 -5.403 1.00 0.00 H new ATOM 0 HD21 ASN A 32 -3.140 11.336 -6.369 1.00 0.00 H new ATOM 0 HD22 ASN A 32 -1.736 12.404 -6.268 1.00 0.00 H new ATOM 431 N TRP A 33 2.956 10.821 -5.810 1.00 0.00 N ATOM 432 CA TRP A 33 4.400 10.595 -5.470 1.00 0.00 C ATOM 433 C TRP A 33 4.567 10.550 -3.949 1.00 0.00 C ATOM 434 O TRP A 33 5.061 9.591 -3.392 1.00 0.00 O ATOM 435 CB TRP A 33 5.192 11.792 -6.057 1.00 0.00 C ATOM 436 CG TRP A 33 4.304 12.657 -6.901 1.00 0.00 C ATOM 437 CD1 TRP A 33 3.595 13.718 -6.453 1.00 0.00 C ATOM 438 CD2 TRP A 33 4.009 12.535 -8.318 1.00 0.00 C ATOM 439 NE1 TRP A 33 2.873 14.249 -7.507 1.00 0.00 N ATOM 440 CE2 TRP A 33 3.102 13.558 -8.681 1.00 0.00 C ATOM 441 CE3 TRP A 33 4.441 11.642 -9.314 1.00 0.00 C ATOM 442 CZ2 TRP A 33 2.637 13.689 -9.989 1.00 0.00 C ATOM 443 CZ3 TRP A 33 3.977 11.770 -10.629 1.00 0.00 C ATOM 444 CH2 TRP A 33 3.077 12.790 -10.968 1.00 0.00 C ATOM 0 H TRP A 33 2.495 11.556 -5.274 1.00 0.00 H new ATOM 0 HA TRP A 33 4.762 9.652 -5.880 1.00 0.00 H new ATOM 0 HB2 TRP A 33 5.619 12.383 -5.247 1.00 0.00 H new ATOM 0 HB3 TRP A 33 6.025 11.424 -6.656 1.00 0.00 H new ATOM 0 HD1 TRP A 33 3.593 14.090 -5.439 1.00 0.00 H new ATOM 0 HE1 TRP A 33 2.249 15.052 -7.427 1.00 0.00 H new ATOM 0 HE3 TRP A 33 5.135 10.853 -9.064 1.00 0.00 H new ATOM 0 HZ2 TRP A 33 1.944 14.477 -10.245 1.00 0.00 H new ATOM 0 HZ3 TRP A 33 4.315 11.079 -11.387 1.00 0.00 H new ATOM 0 HH2 TRP A 33 2.723 12.882 -11.984 1.00 0.00 H new ATOM 455 N ILE A 34 4.156 11.597 -3.282 1.00 0.00 N ATOM 456 CA ILE A 34 4.277 11.659 -1.792 1.00 0.00 C ATOM 457 C ILE A 34 2.886 11.832 -1.149 1.00 0.00 C ATOM 458 O ILE A 34 2.775 12.073 0.036 1.00 0.00 O ATOM 459 CB ILE A 34 5.149 12.897 -1.493 1.00 0.00 C ATOM 460 CG1 ILE A 34 6.019 13.276 -2.707 1.00 0.00 C ATOM 461 CG2 ILE A 34 6.068 12.592 -0.310 1.00 0.00 C ATOM 462 CD1 ILE A 34 6.706 14.618 -2.448 1.00 0.00 C ATOM 0 H ILE A 34 3.736 12.422 -3.710 1.00 0.00 H new ATOM 0 HA ILE A 34 4.714 10.746 -1.389 1.00 0.00 H new ATOM 0 HB ILE A 34 4.486 13.731 -1.264 1.00 0.00 H new ATOM 0 HG12 ILE A 34 6.766 12.503 -2.887 1.00 0.00 H new ATOM 0 HG13 ILE A 34 5.402 13.339 -3.604 1.00 0.00 H new ATOM 0 HG21 ILE A 34 6.686 13.464 -0.095 1.00 0.00 H new ATOM 0 HG22 ILE A 34 5.466 12.349 0.566 1.00 0.00 H new ATOM 0 HG23 ILE A 34 6.708 11.745 -0.556 1.00 0.00 H new ATOM 0 HD11 ILE A 34 7.321 14.884 -3.308 1.00 0.00 H new ATOM 0 HD12 ILE A 34 5.951 15.388 -2.289 1.00 0.00 H new ATOM 0 HD13 ILE A 34 7.336 14.539 -1.562 1.00 0.00 H new ATOM 474 N LEU A 35 1.831 11.722 -1.920 1.00 0.00 N ATOM 475 CA LEU A 35 0.461 11.894 -1.349 1.00 0.00 C ATOM 476 C LEU A 35 -0.479 10.800 -1.879 1.00 0.00 C ATOM 477 O LEU A 35 -1.076 10.957 -2.928 1.00 0.00 O ATOM 478 CB LEU A 35 0.011 13.278 -1.830 1.00 0.00 C ATOM 479 CG LEU A 35 -1.207 13.741 -1.025 1.00 0.00 C ATOM 480 CD1 LEU A 35 -0.748 14.394 0.279 1.00 0.00 C ATOM 481 CD2 LEU A 35 -2.003 14.755 -1.852 1.00 0.00 C ATOM 0 H LEU A 35 1.861 11.521 -2.919 1.00 0.00 H new ATOM 0 HA LEU A 35 0.449 11.815 -0.262 1.00 0.00 H new ATOM 0 HB2 LEU A 35 0.825 13.994 -1.717 1.00 0.00 H new ATOM 0 HB3 LEU A 35 -0.236 13.241 -2.891 1.00 0.00 H new ATOM 0 HG LEU A 35 -1.836 12.882 -0.793 1.00 0.00 H new ATOM 0 HD11 LEU A 35 -1.618 14.722 0.848 1.00 0.00 H new ATOM 0 HD12 LEU A 35 -0.181 13.673 0.867 1.00 0.00 H new ATOM 0 HD13 LEU A 35 -0.118 15.254 0.053 1.00 0.00 H new ATOM 0 HD21 LEU A 35 -2.871 15.087 -1.283 1.00 0.00 H new ATOM 0 HD22 LEU A 35 -1.371 15.612 -2.083 1.00 0.00 H new ATOM 0 HD23 LEU A 35 -2.334 14.288 -2.779 1.00 0.00 H new ATOM 493 N PRO A 36 -0.572 9.720 -1.141 1.00 0.00 N ATOM 494 CA PRO A 36 -1.452 8.598 -1.547 1.00 0.00 C ATOM 495 C PRO A 36 -2.922 8.928 -1.255 1.00 0.00 C ATOM 496 O PRO A 36 -3.268 9.362 -0.168 1.00 0.00 O ATOM 497 CB PRO A 36 -0.973 7.436 -0.683 1.00 0.00 C ATOM 498 CG PRO A 36 -0.355 8.069 0.525 1.00 0.00 C ATOM 499 CD PRO A 36 0.120 9.446 0.129 1.00 0.00 C ATOM 0 HA PRO A 36 -1.400 8.381 -2.614 1.00 0.00 H new ATOM 0 HB2 PRO A 36 -1.802 6.785 -0.405 1.00 0.00 H new ATOM 0 HB3 PRO A 36 -0.250 6.820 -1.218 1.00 0.00 H new ATOM 0 HG2 PRO A 36 -1.080 8.133 1.336 1.00 0.00 H new ATOM 0 HG3 PRO A 36 0.478 7.467 0.889 1.00 0.00 H new ATOM 0 HD2 PRO A 36 -0.133 10.187 0.887 1.00 0.00 H new ATOM 0 HD3 PRO A 36 1.203 9.473 0.006 1.00 0.00 H new ATOM 507 N GLY A 37 -3.789 8.725 -2.211 1.00 0.00 N ATOM 508 CA GLY A 37 -5.235 9.025 -1.993 1.00 0.00 C ATOM 509 C GLY A 37 -5.912 7.817 -1.341 1.00 0.00 C ATOM 510 O GLY A 37 -6.379 6.923 -2.018 1.00 0.00 O ATOM 0 H GLY A 37 -3.558 8.363 -3.136 1.00 0.00 H new ATOM 0 HA2 GLY A 37 -5.344 9.904 -1.357 1.00 0.00 H new ATOM 0 HA3 GLY A 37 -5.717 9.257 -2.943 1.00 0.00 H new ATOM 514 N CYS A 38 -5.965 7.786 -0.031 1.00 0.00 N ATOM 515 CA CYS A 38 -6.610 6.632 0.672 1.00 0.00 C ATOM 516 C CYS A 38 -7.573 7.139 1.761 1.00 0.00 C ATOM 517 O CYS A 38 -8.386 7.997 1.458 1.00 0.00 O ATOM 518 CB CYS A 38 -5.442 5.841 1.284 1.00 0.00 C ATOM 519 SG CYS A 38 -4.356 5.230 -0.038 1.00 0.00 S ATOM 520 OXT CYS A 38 -7.494 6.652 2.877 1.00 0.00 O ATOM 0 H CYS A 38 -5.590 8.510 0.582 1.00 0.00 H new ATOM 0 HA CYS A 38 -7.206 6.014 0.001 1.00 0.00 H new ATOM 0 HB2 CYS A 38 -4.878 6.477 1.966 1.00 0.00 H new ATOM 0 HB3 CYS A 38 -5.824 5.005 1.870 1.00 0.00 H new TER 525 CYS A 38