USER MOD reduce.3.24.130724 H: found=0, std=0, add=246, rem=0, adj=10 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+ 180:sc= 0 (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+ 180:sc= 0 (180deg=0) USER MOD Single : A 10 LYS NZ :NH3+ 138:sc= 1.14 (180deg=0.826) 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 : no HE2:sc= -8.97! C(o=-9!,f=-11!) USER MOD Single : A 20 ASN : amide:sc= -0.704 X(o=-0.7,f=-1.1) USER MOD Single : A 24 SER OG : rot 180:sc= 0 USER MOD Single : A 29 HYP OD1 : rot -31:sc= 1.27 USER MOD Single : A 30 SER OG : rot 180:sc= 0 USER MOD Single : A 31 THR OG1 : rot 180:sc= 0.0632 USER MOD Single : A 32 ASN : amide:sc= -0.0785 K(o=-0.078,f=-3.5!) USER MOD ----------------------------------------------------------------- ATOM 1 N GLY A 1 12.389 -7.506 -7.876 1.00 0.00 N ATOM 2 CA GLY A 1 12.660 -6.061 -8.121 1.00 0.00 C ATOM 3 C GLY A 1 12.499 -5.285 -6.810 1.00 0.00 C ATOM 4 O GLY A 1 13.216 -5.536 -5.858 1.00 0.00 O ATOM 0 H1 GLY A 1 12.498 -8.035 -8.765 1.00 0.00 H new ATOM 0 H2 GLY A 1 13.061 -7.871 -7.171 1.00 0.00 H new ATOM 0 H3 GLY A 1 11.418 -7.622 -7.521 1.00 0.00 H new ATOM 0 HA2 GLY A 1 13.669 -5.930 -8.513 1.00 0.00 H new ATOM 0 HA3 GLY A 1 11.973 -5.673 -8.873 1.00 0.00 H new HETATM 10 N HYP A 2 11.555 -4.368 -6.788 1.00 0.00 N HETATM 11 CA HYP A 2 11.302 -3.562 -5.561 1.00 0.00 C HETATM 12 C HYP A 2 10.772 -4.464 -4.441 1.00 0.00 C HETATM 13 O HYP A 2 10.217 -5.517 -4.694 1.00 0.00 O HETATM 14 CB HYP A 2 10.245 -2.551 -6.006 1.00 0.00 C HETATM 15 CG HYP A 2 9.564 -3.194 -7.170 1.00 0.00 C HETATM 16 CD HYP A 2 10.638 -3.992 -7.874 1.00 0.00 C HETATM 17 OD1 HYP A 2 8.958 -2.221 -8.035 1.00 0.00 O HETATM 0 HD23 HYP A 2 11.142 -3.400 -8.638 1.00 0.00 H new HETATM 0 HD22 HYP A 2 10.225 -4.869 -8.372 1.00 0.00 H new HETATM 0 HG HYP A 2 8.742 -3.835 -6.851 1.00 0.00 H new HETATM 0 HD1 HYP A 2 8.523 -2.677 -8.786 1.00 0.00 H new HETATM 0 HB3 HYP A 2 9.539 -2.338 -5.203 1.00 0.00 H new HETATM 0 HB2 HYP A 2 10.700 -1.602 -6.289 1.00 0.00 H new HETATM 0 HA HYP A 2 12.196 -3.079 -5.165 1.00 0.00 H new ATOM 25 N SER A 3 10.942 -4.067 -3.209 1.00 0.00 N ATOM 26 CA SER A 3 10.456 -4.911 -2.075 1.00 0.00 C ATOM 27 C SER A 3 9.364 -4.175 -1.294 1.00 0.00 C ATOM 28 O SER A 3 9.496 -3.008 -0.981 1.00 0.00 O ATOM 29 CB SER A 3 11.686 -5.135 -1.185 1.00 0.00 C ATOM 30 OG SER A 3 12.839 -5.343 -2.002 1.00 0.00 O ATOM 0 H SER A 3 11.396 -3.195 -2.937 1.00 0.00 H new ATOM 0 HA SER A 3 10.024 -5.850 -2.421 1.00 0.00 H new ATOM 0 HB2 SER A 3 11.839 -4.273 -0.536 1.00 0.00 H new ATOM 0 HB3 SER A 3 11.526 -5.997 -0.538 1.00 0.00 H new ATOM 0 HG SER A 3 13.623 -5.484 -1.431 1.00 0.00 H new ATOM 36 N PHE A 4 8.293 -4.849 -0.969 1.00 0.00 N ATOM 37 CA PHE A 4 7.193 -4.195 -0.196 1.00 0.00 C ATOM 38 C PHE A 4 7.112 -4.817 1.200 1.00 0.00 C ATOM 39 O PHE A 4 7.407 -5.977 1.381 1.00 0.00 O ATOM 40 CB PHE A 4 5.909 -4.483 -0.982 1.00 0.00 C ATOM 41 CG PHE A 4 5.969 -3.799 -2.331 1.00 0.00 C ATOM 42 CD1 PHE A 4 5.756 -2.418 -2.427 1.00 0.00 C ATOM 43 CD2 PHE A 4 6.239 -4.546 -3.486 1.00 0.00 C ATOM 44 CE1 PHE A 4 5.816 -1.785 -3.674 1.00 0.00 C ATOM 45 CE2 PHE A 4 6.299 -3.911 -4.731 1.00 0.00 C ATOM 46 CZ PHE A 4 6.086 -2.533 -4.826 1.00 0.00 C ATOM 0 H PHE A 4 8.131 -5.828 -1.206 1.00 0.00 H new ATOM 0 HA PHE A 4 7.354 -3.124 -0.074 1.00 0.00 H new ATOM 0 HB2 PHE A 4 5.786 -5.558 -1.114 1.00 0.00 H new ATOM 0 HB3 PHE A 4 5.043 -4.130 -0.423 1.00 0.00 H new ATOM 0 HD1 PHE A 4 5.545 -1.841 -1.538 1.00 0.00 H new ATOM 0 HD2 PHE A 4 6.401 -5.611 -3.415 1.00 0.00 H new ATOM 0 HE1 PHE A 4 5.654 -0.720 -3.747 1.00 0.00 H new ATOM 0 HE2 PHE A 4 6.510 -4.486 -5.620 1.00 0.00 H new ATOM 0 HZ PHE A 4 6.130 -2.045 -5.789 1.00 0.00 H new ATOM 56 N CYS A 5 6.712 -4.058 2.185 1.00 0.00 N ATOM 57 CA CYS A 5 6.613 -4.625 3.570 1.00 0.00 C ATOM 58 C CYS A 5 5.595 -5.777 3.592 1.00 0.00 C ATOM 59 O CYS A 5 5.830 -6.805 4.192 1.00 0.00 O ATOM 60 CB CYS A 5 6.135 -3.477 4.461 1.00 0.00 C ATOM 61 SG CYS A 5 7.041 -1.962 4.053 1.00 0.00 S ATOM 0 H CYS A 5 6.450 -3.076 2.096 1.00 0.00 H new ATOM 0 HA CYS A 5 7.568 -5.023 3.913 1.00 0.00 H new ATOM 0 HB2 CYS A 5 5.065 -3.320 4.324 1.00 0.00 H new ATOM 0 HB3 CYS A 5 6.288 -3.731 5.510 1.00 0.00 H new ATOM 66 N LYS A 6 4.466 -5.608 2.943 1.00 0.00 N ATOM 67 CA LYS A 6 3.443 -6.697 2.924 1.00 0.00 C ATOM 68 C LYS A 6 3.412 -7.348 1.538 1.00 0.00 C ATOM 69 O LYS A 6 3.870 -8.460 1.362 1.00 0.00 O ATOM 70 CB LYS A 6 2.107 -6.015 3.249 1.00 0.00 C ATOM 71 CG LYS A 6 2.194 -5.352 4.628 1.00 0.00 C ATOM 72 CD LYS A 6 1.476 -6.222 5.668 1.00 0.00 C ATOM 73 CE LYS A 6 2.492 -6.778 6.675 1.00 0.00 C ATOM 74 NZ LYS A 6 1.824 -7.957 7.294 1.00 0.00 N ATOM 0 H LYS A 6 4.212 -4.765 2.428 1.00 0.00 H new ATOM 0 HA LYS A 6 3.661 -7.487 3.643 1.00 0.00 H new ATOM 0 HB2 LYS A 6 1.873 -5.269 2.489 1.00 0.00 H new ATOM 0 HB3 LYS A 6 1.300 -6.747 3.236 1.00 0.00 H new ATOM 0 HG2 LYS A 6 3.238 -5.217 4.912 1.00 0.00 H new ATOM 0 HG3 LYS A 6 1.742 -4.361 4.595 1.00 0.00 H new ATOM 0 HD2 LYS A 6 0.720 -5.633 6.188 1.00 0.00 H new ATOM 0 HD3 LYS A 6 0.956 -7.042 5.172 1.00 0.00 H new ATOM 0 HE2 LYS A 6 3.420 -7.066 6.180 1.00 0.00 H new ATOM 0 HE3 LYS A 6 2.750 -6.032 7.427 1.00 0.00 H new ATOM 0 HZ1 LYS A 6 2.460 -8.389 7.994 1.00 0.00 H new ATOM 0 HZ2 LYS A 6 0.948 -7.652 7.764 1.00 0.00 H new ATOM 0 HZ3 LYS A 6 1.597 -8.654 6.556 1.00 0.00 H new ATOM 88 N ALA A 7 2.881 -6.665 0.554 1.00 0.00 N ATOM 89 CA ALA A 7 2.827 -7.244 -0.828 1.00 0.00 C ATOM 90 C ALA A 7 2.324 -6.202 -1.832 1.00 0.00 C ATOM 91 O ALA A 7 1.951 -5.102 -1.466 1.00 0.00 O ATOM 92 CB ALA A 7 1.838 -8.412 -0.742 1.00 0.00 C ATOM 0 H ALA A 7 2.482 -5.731 0.646 1.00 0.00 H new ATOM 0 HA ALA A 7 3.812 -7.564 -1.167 1.00 0.00 H new ATOM 0 HB1 ALA A 7 1.748 -8.885 -1.720 1.00 0.00 H new ATOM 0 HB2 ALA A 7 2.199 -9.142 -0.018 1.00 0.00 H new ATOM 0 HB3 ALA A 7 0.863 -8.041 -0.427 1.00 0.00 H new ATOM 98 N ASP A 8 2.283 -6.559 -3.088 1.00 0.00 N ATOM 99 CA ASP A 8 1.787 -5.631 -4.145 1.00 0.00 C ATOM 100 C ASP A 8 0.872 -6.407 -5.088 1.00 0.00 C ATOM 101 O ASP A 8 0.906 -7.622 -5.109 1.00 0.00 O ATOM 102 CB ASP A 8 3.036 -5.126 -4.881 1.00 0.00 C ATOM 103 CG ASP A 8 2.634 -4.250 -6.069 1.00 0.00 C ATOM 104 OD1 ASP A 8 1.792 -3.387 -5.892 1.00 0.00 O ATOM 105 OD2 ASP A 8 3.185 -4.448 -7.140 1.00 0.00 O ATOM 0 H ASP A 8 2.578 -7.473 -3.432 1.00 0.00 H new ATOM 0 HA ASP A 8 1.217 -4.795 -3.740 1.00 0.00 H new ATOM 0 HB2 ASP A 8 3.664 -4.556 -4.196 1.00 0.00 H new ATOM 0 HB3 ASP A 8 3.629 -5.972 -5.228 1.00 0.00 H new ATOM 110 N GLU A 9 0.034 -5.715 -5.827 1.00 0.00 N ATOM 111 CA GLU A 9 -0.939 -6.379 -6.768 1.00 0.00 C ATOM 112 C GLU A 9 -1.704 -7.514 -6.057 1.00 0.00 C ATOM 113 O GLU A 9 -2.239 -8.413 -6.684 1.00 0.00 O ATOM 114 CB GLU A 9 -0.124 -6.893 -7.981 1.00 0.00 C ATOM 115 CG GLU A 9 0.611 -8.208 -7.660 1.00 0.00 C ATOM 116 CD GLU A 9 0.519 -9.175 -8.842 1.00 0.00 C ATOM 117 OE1 GLU A 9 1.209 -8.963 -9.822 1.00 0.00 O ATOM 118 OE2 GLU A 9 -0.225 -10.137 -8.736 1.00 0.00 O ATOM 0 H GLU A 9 -0.020 -4.696 -5.820 1.00 0.00 H new ATOM 0 HA GLU A 9 -1.698 -5.674 -7.107 1.00 0.00 H new ATOM 0 HB2 GLU A 9 -0.792 -7.047 -8.829 1.00 0.00 H new ATOM 0 HB3 GLU A 9 0.600 -6.135 -8.280 1.00 0.00 H new ATOM 0 HG2 GLU A 9 1.657 -8.001 -7.432 1.00 0.00 H new ATOM 0 HG3 GLU A 9 0.176 -8.667 -6.772 1.00 0.00 H new ATOM 125 N LYS A 10 -1.785 -7.450 -4.751 1.00 0.00 N ATOM 126 CA LYS A 10 -2.523 -8.486 -3.982 1.00 0.00 C ATOM 127 C LYS A 10 -3.659 -7.805 -3.219 1.00 0.00 C ATOM 128 O LYS A 10 -3.476 -6.732 -2.665 1.00 0.00 O ATOM 129 CB LYS A 10 -1.492 -9.098 -3.024 1.00 0.00 C ATOM 130 CG LYS A 10 -1.254 -10.569 -3.387 1.00 0.00 C ATOM 131 CD LYS A 10 -0.593 -10.667 -4.769 1.00 0.00 C ATOM 132 CE LYS A 10 -1.519 -11.417 -5.739 1.00 0.00 C ATOM 133 NZ LYS A 10 -0.645 -11.864 -6.861 1.00 0.00 N ATOM 0 H LYS A 10 -1.365 -6.714 -4.183 1.00 0.00 H new ATOM 0 HA LYS A 10 -2.965 -9.259 -4.612 1.00 0.00 H new ATOM 0 HB2 LYS A 10 -0.555 -8.544 -3.081 1.00 0.00 H new ATOM 0 HB3 LYS A 10 -1.846 -9.020 -1.996 1.00 0.00 H new ATOM 0 HG2 LYS A 10 -0.619 -11.039 -2.636 1.00 0.00 H new ATOM 0 HG3 LYS A 10 -2.200 -11.110 -3.388 1.00 0.00 H new ATOM 0 HD2 LYS A 10 -0.382 -9.669 -5.152 1.00 0.00 H new ATOM 0 HD3 LYS A 10 0.362 -11.186 -4.689 1.00 0.00 H new ATOM 0 HE2 LYS A 10 -1.994 -12.267 -5.249 1.00 0.00 H new ATOM 0 HE3 LYS A 10 -2.318 -10.769 -6.099 1.00 0.00 H new ATOM 0 HZ1 LYS A 10 -0.895 -12.837 -7.129 1.00 0.00 H new ATOM 0 HZ2 LYS A 10 -0.779 -11.234 -7.678 1.00 0.00 H new ATOM 0 HZ3 LYS A 10 0.350 -11.833 -6.560 1.00 0.00 H new HETATM 147 N HYP A 11 -4.800 -8.430 -3.237 1.00 0.00 N HETATM 148 CA HYP A 11 -5.989 -7.858 -2.569 1.00 0.00 C HETATM 149 C HYP A 11 -5.815 -7.769 -1.049 1.00 0.00 C HETATM 150 O HYP A 11 -5.094 -8.534 -0.440 1.00 0.00 O HETATM 151 CB HYP A 11 -7.110 -8.815 -2.945 1.00 0.00 C HETATM 152 CG HYP A 11 -6.422 -10.101 -3.259 1.00 0.00 C HETATM 153 CD HYP A 11 -5.103 -9.713 -3.871 1.00 0.00 C HETATM 154 OD1 HYP A 11 -7.194 -10.911 -4.147 1.00 0.00 O HETATM 0 HD23 HYP A 11 -5.175 -9.619 -4.955 1.00 0.00 H new HETATM 0 HD22 HYP A 11 -4.331 -10.455 -3.666 1.00 0.00 H new HETATM 0 HG HYP A 11 -6.285 -10.707 -2.363 1.00 0.00 H new HETATM 0 HD1 HYP A 11 -6.712 -11.744 -4.332 1.00 0.00 H new HETATM 0 HB3 HYP A 11 -7.819 -8.935 -2.126 1.00 0.00 H new HETATM 0 HB2 HYP A 11 -7.673 -8.448 -3.803 1.00 0.00 H new HETATM 0 HA HYP A 11 -6.182 -6.832 -2.883 1.00 0.00 H new ATOM 162 N CYS A 12 -6.493 -6.832 -0.447 1.00 0.00 N ATOM 163 CA CYS A 12 -6.419 -6.637 1.031 1.00 0.00 C ATOM 164 C CYS A 12 -7.721 -5.972 1.493 1.00 0.00 C ATOM 165 O CYS A 12 -8.604 -5.726 0.694 1.00 0.00 O ATOM 166 CB CYS A 12 -5.224 -5.707 1.252 1.00 0.00 C ATOM 167 SG CYS A 12 -5.400 -4.252 0.192 1.00 0.00 S ATOM 0 H CYS A 12 -7.110 -6.177 -0.928 1.00 0.00 H new ATOM 0 HA CYS A 12 -6.299 -7.567 1.587 1.00 0.00 H new ATOM 0 HB2 CYS A 12 -5.171 -5.406 2.298 1.00 0.00 H new ATOM 0 HB3 CYS A 12 -4.295 -6.228 1.023 1.00 0.00 H new ATOM 172 N GLU A 13 -7.859 -5.663 2.757 1.00 0.00 N ATOM 173 CA GLU A 13 -9.125 -5.009 3.217 1.00 0.00 C ATOM 174 C GLU A 13 -8.892 -3.528 3.560 1.00 0.00 C ATOM 175 O GLU A 13 -9.724 -2.685 3.268 1.00 0.00 O ATOM 176 CB GLU A 13 -9.611 -5.802 4.440 1.00 0.00 C ATOM 177 CG GLU A 13 -8.466 -6.052 5.438 1.00 0.00 C ATOM 178 CD GLU A 13 -9.039 -6.612 6.747 1.00 0.00 C ATOM 179 OE1 GLU A 13 -9.747 -7.604 6.689 1.00 0.00 O ATOM 180 OE2 GLU A 13 -8.755 -6.042 7.786 1.00 0.00 O ATOM 0 H GLU A 13 -7.162 -5.831 3.483 1.00 0.00 H new ATOM 0 HA GLU A 13 -9.878 -5.020 2.429 1.00 0.00 H new ATOM 0 HB2 GLU A 13 -10.414 -5.255 4.935 1.00 0.00 H new ATOM 0 HB3 GLU A 13 -10.027 -6.756 4.115 1.00 0.00 H new ATOM 0 HG2 GLU A 13 -7.747 -6.753 5.014 1.00 0.00 H new ATOM 0 HG3 GLU A 13 -7.929 -5.123 5.632 1.00 0.00 H new ATOM 187 N TYR A 14 -7.778 -3.195 4.168 1.00 0.00 N ATOM 188 CA TYR A 14 -7.518 -1.761 4.519 1.00 0.00 C ATOM 189 C TYR A 14 -6.140 -1.313 4.010 1.00 0.00 C ATOM 190 O TYR A 14 -5.376 -2.102 3.486 1.00 0.00 O ATOM 191 CB TYR A 14 -7.585 -1.709 6.051 1.00 0.00 C ATOM 192 CG TYR A 14 -9.035 -1.669 6.480 1.00 0.00 C ATOM 193 CD1 TYR A 14 -9.794 -0.508 6.279 1.00 0.00 C ATOM 194 CD2 TYR A 14 -9.625 -2.794 7.071 1.00 0.00 C ATOM 195 CE1 TYR A 14 -11.135 -0.472 6.668 1.00 0.00 C ATOM 196 CE2 TYR A 14 -10.968 -2.757 7.462 1.00 0.00 C ATOM 197 CZ TYR A 14 -11.722 -1.595 7.260 1.00 0.00 C ATOM 198 OH TYR A 14 -13.046 -1.553 7.636 1.00 0.00 O ATOM 0 H TYR A 14 -7.042 -3.849 4.435 1.00 0.00 H new ATOM 0 HA TYR A 14 -8.242 -1.089 4.058 1.00 0.00 H new ATOM 0 HB2 TYR A 14 -7.090 -2.580 6.479 1.00 0.00 H new ATOM 0 HB3 TYR A 14 -7.059 -0.829 6.421 1.00 0.00 H new ATOM 0 HD1 TYR A 14 -9.341 0.360 5.823 1.00 0.00 H new ATOM 0 HD2 TYR A 14 -9.043 -3.690 7.225 1.00 0.00 H new ATOM 0 HE1 TYR A 14 -11.719 0.423 6.512 1.00 0.00 H new ATOM 0 HE2 TYR A 14 -11.422 -3.624 7.919 1.00 0.00 H new ATOM 0 HH TYR A 14 -13.301 -2.413 8.031 1.00 0.00 H new ATOM 208 N HIS A 15 -5.830 -0.048 4.151 1.00 0.00 N ATOM 209 CA HIS A 15 -4.510 0.470 3.669 1.00 0.00 C ATOM 210 C HIS A 15 -3.412 0.241 4.717 1.00 0.00 C ATOM 211 O HIS A 15 -2.253 0.076 4.381 1.00 0.00 O ATOM 212 CB HIS A 15 -4.713 1.978 3.445 1.00 0.00 C ATOM 213 CG HIS A 15 -5.686 2.224 2.315 1.00 0.00 C ATOM 214 ND1 HIS A 15 -7.060 2.213 2.499 1.00 0.00 N ATOM 215 CD2 HIS A 15 -5.492 2.509 0.982 1.00 0.00 C ATOM 216 CE1 HIS A 15 -7.629 2.479 1.311 1.00 0.00 C ATOM 217 NE2 HIS A 15 -6.722 2.671 0.355 1.00 0.00 N ATOM 0 H HIS A 15 -6.436 0.651 4.580 1.00 0.00 H new ATOM 0 HA HIS A 15 -4.195 -0.043 2.761 1.00 0.00 H new ATOM 0 HB2 HIS A 15 -5.086 2.440 4.359 1.00 0.00 H new ATOM 0 HB3 HIS A 15 -3.757 2.449 3.217 1.00 0.00 H new ATOM 0 HD1 HIS A 15 -7.550 2.035 3.376 1.00 0.00 H new ATOM 0 HD2 HIS A 15 -4.531 2.594 0.497 1.00 0.00 H new ATOM 0 HE1 HIS A 15 -8.696 2.531 1.151 1.00 0.00 H new ATOM 225 N ALA A 16 -3.768 0.253 5.975 1.00 0.00 N ATOM 226 CA ALA A 16 -2.763 0.071 7.074 1.00 0.00 C ATOM 227 C ALA A 16 -1.839 -1.144 6.862 1.00 0.00 C ATOM 228 O ALA A 16 -0.699 -1.132 7.290 1.00 0.00 O ATOM 229 CB ALA A 16 -3.603 -0.122 8.340 1.00 0.00 C ATOM 0 H ALA A 16 -4.727 0.383 6.296 1.00 0.00 H new ATOM 0 HA ALA A 16 -2.093 0.930 7.121 1.00 0.00 H new ATOM 0 HB1 ALA A 16 -2.943 -0.263 9.196 1.00 0.00 H new ATOM 0 HB2 ALA A 16 -4.225 0.758 8.502 1.00 0.00 H new ATOM 0 HB3 ALA A 16 -4.239 -0.999 8.224 1.00 0.00 H new ATOM 235 N ASP A 17 -2.305 -2.196 6.237 1.00 0.00 N ATOM 236 CA ASP A 17 -1.423 -3.395 6.051 1.00 0.00 C ATOM 237 C ASP A 17 -0.631 -3.305 4.736 1.00 0.00 C ATOM 238 O ASP A 17 -0.603 -4.235 3.953 1.00 0.00 O ATOM 239 CB ASP A 17 -2.374 -4.599 6.036 1.00 0.00 C ATOM 240 CG ASP A 17 -2.171 -5.419 7.308 1.00 0.00 C ATOM 241 OD1 ASP A 17 -1.274 -6.244 7.325 1.00 0.00 O ATOM 242 OD2 ASP A 17 -2.913 -5.209 8.249 1.00 0.00 O ATOM 0 H ASP A 17 -3.245 -2.280 5.851 1.00 0.00 H new ATOM 0 HA ASP A 17 -0.681 -3.473 6.845 1.00 0.00 H new ATOM 0 HB2 ASP A 17 -3.408 -4.260 5.970 1.00 0.00 H new ATOM 0 HB3 ASP A 17 -2.184 -5.216 5.158 1.00 0.00 H new ATOM 247 N CYS A 18 0.023 -2.204 4.492 1.00 0.00 N ATOM 248 CA CYS A 18 0.825 -2.050 3.231 1.00 0.00 C ATOM 249 C CYS A 18 1.690 -0.784 3.335 1.00 0.00 C ATOM 250 O CYS A 18 1.330 0.160 4.008 1.00 0.00 O ATOM 251 CB CYS A 18 -0.212 -1.909 2.101 1.00 0.00 C ATOM 252 SG CYS A 18 -0.496 -3.520 1.313 1.00 0.00 S ATOM 0 H CYS A 18 0.041 -1.395 5.112 1.00 0.00 H new ATOM 0 HA CYS A 18 1.493 -2.893 3.051 1.00 0.00 H new ATOM 0 HB2 CYS A 18 -1.148 -1.521 2.502 1.00 0.00 H new ATOM 0 HB3 CYS A 18 0.140 -1.190 1.361 1.00 0.00 H new ATOM 257 N CYS A 19 2.826 -0.754 2.681 1.00 0.00 N ATOM 258 CA CYS A 19 3.705 0.466 2.764 1.00 0.00 C ATOM 259 C CYS A 19 3.443 1.435 1.611 1.00 0.00 C ATOM 260 O CYS A 19 4.308 2.191 1.216 1.00 0.00 O ATOM 261 CB CYS A 19 5.134 -0.054 2.687 1.00 0.00 C ATOM 262 SG CYS A 19 5.698 -0.486 4.349 1.00 0.00 S ATOM 0 H CYS A 19 3.184 -1.510 2.098 1.00 0.00 H new ATOM 0 HA CYS A 19 3.509 1.019 3.683 1.00 0.00 H new ATOM 0 HB2 CYS A 19 5.182 -0.926 2.035 1.00 0.00 H new ATOM 0 HB3 CYS A 19 5.787 0.704 2.254 1.00 0.00 H new ATOM 267 N ASN A 20 2.260 1.420 1.071 1.00 0.00 N ATOM 268 CA ASN A 20 1.927 2.340 -0.062 1.00 0.00 C ATOM 269 C ASN A 20 0.449 2.750 0.051 1.00 0.00 C ATOM 270 O ASN A 20 0.129 3.684 0.745 1.00 0.00 O ATOM 271 CB ASN A 20 2.223 1.568 -1.373 1.00 0.00 C ATOM 272 CG ASN A 20 2.752 0.158 -1.082 1.00 0.00 C ATOM 273 OD1 ASN A 20 3.942 -0.079 -1.137 1.00 0.00 O ATOM 274 ND2 ASN A 20 1.926 -0.786 -0.743 1.00 0.00 N ATOM 0 H ASN A 20 1.499 0.807 1.364 1.00 0.00 H new ATOM 0 HA ASN A 20 2.519 3.255 -0.045 1.00 0.00 H new ATOM 0 HB2 ASN A 20 1.314 1.502 -1.971 1.00 0.00 H new ATOM 0 HB3 ASN A 20 2.955 2.118 -1.964 1.00 0.00 H new ATOM 0 HD21 ASN A 20 2.278 -1.718 -0.525 1.00 0.00 H new ATOM 0 HD22 ASN A 20 0.925 -0.595 -0.694 1.00 0.00 H new ATOM 281 N CYS A 21 -0.455 2.048 -0.597 1.00 0.00 N ATOM 282 CA CYS A 21 -1.904 2.409 -0.488 1.00 0.00 C ATOM 283 C CYS A 21 -2.772 1.223 -0.919 1.00 0.00 C ATOM 284 O CYS A 21 -2.913 0.938 -2.095 1.00 0.00 O ATOM 285 CB CYS A 21 -2.111 3.604 -1.428 1.00 0.00 C ATOM 286 SG CYS A 21 -2.119 5.143 -0.470 1.00 0.00 S ATOM 0 H CYS A 21 -0.251 1.246 -1.193 1.00 0.00 H new ATOM 0 HA CYS A 21 -2.186 2.659 0.535 1.00 0.00 H new ATOM 0 HB2 CYS A 21 -1.317 3.633 -2.174 1.00 0.00 H new ATOM 0 HB3 CYS A 21 -3.052 3.496 -1.968 1.00 0.00 H new ATOM 291 N CYS A 22 -3.363 0.529 0.025 1.00 0.00 N ATOM 292 CA CYS A 22 -4.233 -0.630 -0.350 1.00 0.00 C ATOM 293 C CYS A 22 -5.604 -0.097 -0.781 1.00 0.00 C ATOM 294 O CYS A 22 -6.532 -0.060 -0.006 1.00 0.00 O ATOM 295 CB CYS A 22 -4.350 -1.510 0.907 1.00 0.00 C ATOM 296 SG CYS A 22 -3.733 -3.169 0.541 1.00 0.00 S ATOM 0 H CYS A 22 -3.282 0.712 1.025 1.00 0.00 H new ATOM 0 HA CYS A 22 -3.823 -1.209 -1.178 1.00 0.00 H new ATOM 0 HB2 CYS A 22 -3.780 -1.071 1.726 1.00 0.00 H new ATOM 0 HB3 CYS A 22 -5.389 -1.561 1.233 1.00 0.00 H new ATOM 301 N LEU A 23 -5.736 0.333 -2.013 1.00 0.00 N ATOM 302 CA LEU A 23 -7.047 0.883 -2.475 1.00 0.00 C ATOM 303 C LEU A 23 -8.002 -0.254 -2.831 1.00 0.00 C ATOM 304 O LEU A 23 -7.652 -1.394 -2.685 1.00 0.00 O ATOM 305 CB LEU A 23 -6.698 1.730 -3.704 1.00 0.00 C ATOM 306 CG LEU A 23 -6.775 3.212 -3.342 1.00 0.00 C ATOM 307 CD1 LEU A 23 -5.672 3.558 -2.340 1.00 0.00 C ATOM 308 CD2 LEU A 23 -6.572 4.052 -4.601 1.00 0.00 C ATOM 0 H LEU A 23 -4.996 0.327 -2.715 1.00 0.00 H new ATOM 0 HA LEU A 23 -7.552 1.473 -1.710 1.00 0.00 H new ATOM 0 HB2 LEU A 23 -5.697 1.483 -4.056 1.00 0.00 H new ATOM 0 HB3 LEU A 23 -7.387 1.508 -4.519 1.00 0.00 H new ATOM 0 HG LEU A 23 -7.751 3.421 -2.903 1.00 0.00 H new ATOM 0 HD11 LEU A 23 -5.731 4.616 -2.085 1.00 0.00 H new ATOM 0 HD12 LEU A 23 -5.799 2.960 -1.438 1.00 0.00 H new ATOM 0 HD13 LEU A 23 -4.699 3.345 -2.782 1.00 0.00 H new ATOM 0 HD21 LEU A 23 -6.627 5.110 -4.345 1.00 0.00 H new ATOM 0 HD22 LEU A 23 -5.595 3.833 -5.031 1.00 0.00 H new ATOM 0 HD23 LEU A 23 -7.350 3.814 -5.327 1.00 0.00 H new ATOM 320 N SER A 24 -9.190 0.080 -3.284 1.00 0.00 N ATOM 321 CA SER A 24 -10.264 -0.925 -3.666 1.00 0.00 C ATOM 322 C SER A 24 -9.884 -2.406 -3.398 1.00 0.00 C ATOM 323 O SER A 24 -9.912 -3.240 -4.285 1.00 0.00 O ATOM 324 CB SER A 24 -10.468 -0.705 -5.167 1.00 0.00 C ATOM 325 OG SER A 24 -10.647 0.684 -5.425 1.00 0.00 O ATOM 0 H SER A 24 -9.479 1.050 -3.413 1.00 0.00 H new ATOM 0 HA SER A 24 -11.155 -0.763 -3.060 1.00 0.00 H new ATOM 0 HB2 SER A 24 -9.607 -1.080 -5.720 1.00 0.00 H new ATOM 0 HB3 SER A 24 -11.337 -1.265 -5.512 1.00 0.00 H new ATOM 0 HG SER A 24 -10.776 0.824 -6.386 1.00 0.00 H new ATOM 331 N GLY A 25 -9.571 -2.731 -2.170 1.00 0.00 N ATOM 332 CA GLY A 25 -9.215 -4.135 -1.796 1.00 0.00 C ATOM 333 C GLY A 25 -7.934 -4.632 -2.486 1.00 0.00 C ATOM 334 O GLY A 25 -7.796 -5.818 -2.695 1.00 0.00 O ATOM 0 H GLY A 25 -9.547 -2.069 -1.394 1.00 0.00 H new ATOM 0 HA2 GLY A 25 -9.087 -4.196 -0.715 1.00 0.00 H new ATOM 0 HA3 GLY A 25 -10.042 -4.796 -2.057 1.00 0.00 H new ATOM 338 N ILE A 26 -6.991 -3.777 -2.816 1.00 0.00 N ATOM 339 CA ILE A 26 -5.715 -4.257 -3.473 1.00 0.00 C ATOM 340 C ILE A 26 -4.517 -3.446 -2.957 1.00 0.00 C ATOM 341 O ILE A 26 -4.647 -2.278 -2.647 1.00 0.00 O ATOM 342 CB ILE A 26 -5.845 -3.995 -4.985 1.00 0.00 C ATOM 343 CG1 ILE A 26 -7.308 -3.957 -5.428 1.00 0.00 C ATOM 344 CG2 ILE A 26 -5.106 -5.089 -5.756 1.00 0.00 C ATOM 345 CD1 ILE A 26 -7.867 -5.378 -5.557 1.00 0.00 C ATOM 0 H ILE A 26 -7.043 -2.770 -2.662 1.00 0.00 H new ATOM 0 HA ILE A 26 -5.561 -5.313 -3.253 1.00 0.00 H new ATOM 0 HB ILE A 26 -5.405 -3.021 -5.198 1.00 0.00 H new ATOM 0 HG12 ILE A 26 -7.898 -3.392 -4.706 1.00 0.00 H new ATOM 0 HG13 ILE A 26 -7.391 -3.439 -6.383 1.00 0.00 H new ATOM 0 HG21 ILE A 26 -5.197 -4.905 -6.826 1.00 0.00 H new ATOM 0 HG22 ILE A 26 -4.053 -5.084 -5.475 1.00 0.00 H new ATOM 0 HG23 ILE A 26 -5.540 -6.060 -5.517 1.00 0.00 H new ATOM 0 HD11 ILE A 26 -8.909 -5.332 -5.873 1.00 0.00 H new ATOM 0 HD12 ILE A 26 -7.288 -5.931 -6.296 1.00 0.00 H new ATOM 0 HD13 ILE A 26 -7.802 -5.883 -4.593 1.00 0.00 H new ATOM 357 N CYS A 27 -3.342 -4.034 -2.893 1.00 0.00 N ATOM 358 CA CYS A 27 -2.157 -3.253 -2.422 1.00 0.00 C ATOM 359 C CYS A 27 -1.312 -2.803 -3.608 1.00 0.00 C ATOM 360 O CYS A 27 -0.623 -3.595 -4.214 1.00 0.00 O ATOM 361 CB CYS A 27 -1.347 -4.191 -1.528 1.00 0.00 C ATOM 362 SG CYS A 27 -0.107 -3.202 -0.642 1.00 0.00 S ATOM 0 H CYS A 27 -3.157 -5.005 -3.143 1.00 0.00 H new ATOM 0 HA CYS A 27 -2.468 -2.359 -1.882 1.00 0.00 H new ATOM 0 HB2 CYS A 27 -2.001 -4.702 -0.821 1.00 0.00 H new ATOM 0 HB3 CYS A 27 -0.861 -4.961 -2.127 1.00 0.00 H new ATOM 367 N ALA A 28 -1.360 -1.538 -3.939 1.00 0.00 N ATOM 368 CA ALA A 28 -0.550 -1.027 -5.080 1.00 0.00 C ATOM 369 C ALA A 28 0.135 0.293 -4.685 1.00 0.00 C ATOM 370 O ALA A 28 -0.423 1.067 -3.925 1.00 0.00 O ATOM 371 CB ALA A 28 -1.555 -0.793 -6.212 1.00 0.00 C ATOM 0 H ALA A 28 -1.928 -0.836 -3.465 1.00 0.00 H new ATOM 0 HA ALA A 28 0.236 -1.722 -5.375 1.00 0.00 H new ATOM 0 HB1 ALA A 28 -1.032 -0.415 -7.090 1.00 0.00 H new ATOM 0 HB2 ALA A 28 -2.049 -1.733 -6.460 1.00 0.00 H new ATOM 0 HB3 ALA A 28 -2.300 -0.065 -5.892 1.00 0.00 H new HETATM 377 N HYP A 29 1.316 0.515 -5.206 1.00 0.00 N HETATM 378 CA HYP A 29 2.061 1.761 -4.900 1.00 0.00 C HETATM 379 C HYP A 29 1.397 2.948 -5.605 1.00 0.00 C HETATM 380 O HYP A 29 1.418 3.045 -6.822 1.00 0.00 O HETATM 381 CB HYP A 29 3.451 1.501 -5.476 1.00 0.00 C HETATM 382 CG HYP A 29 3.234 0.490 -6.558 1.00 0.00 C HETATM 383 CD HYP A 29 2.066 -0.359 -6.109 1.00 0.00 C HETATM 384 OD1 HYP A 29 2.972 1.121 -7.821 1.00 0.00 O HETATM 0 HD23 HYP A 29 2.402 -1.263 -5.601 1.00 0.00 H new HETATM 0 HD22 HYP A 29 1.456 -0.677 -6.954 1.00 0.00 H new HETATM 0 HG HYP A 29 4.125 -0.119 -6.712 1.00 0.00 H new HETATM 0 HD1 HYP A 29 2.509 1.972 -7.672 1.00 0.00 H new HETATM 0 HB3 HYP A 29 3.892 2.416 -5.872 1.00 0.00 H new HETATM 0 HB2 HYP A 29 4.131 1.123 -4.713 1.00 0.00 H new HETATM 0 HA HYP A 29 2.087 2.001 -3.837 1.00 0.00 H new ATOM 392 N SER A 30 0.806 3.848 -4.863 1.00 0.00 N ATOM 393 CA SER A 30 0.149 5.033 -5.503 1.00 0.00 C ATOM 394 C SER A 30 1.217 5.984 -6.052 1.00 0.00 C ATOM 395 O SER A 30 2.363 5.955 -5.633 1.00 0.00 O ATOM 396 CB SER A 30 -0.650 5.708 -4.385 1.00 0.00 C ATOM 397 OG SER A 30 -1.716 6.470 -4.950 1.00 0.00 O ATOM 0 H SER A 30 0.748 3.817 -3.845 1.00 0.00 H new ATOM 0 HA SER A 30 -0.492 4.750 -6.338 1.00 0.00 H new ATOM 0 HB2 SER A 30 -1.049 4.956 -3.704 1.00 0.00 H new ATOM 0 HB3 SER A 30 0.002 6.355 -3.798 1.00 0.00 H new ATOM 0 HG SER A 30 -2.227 6.900 -4.233 1.00 0.00 H new ATOM 403 N THR A 31 0.855 6.825 -6.980 1.00 0.00 N ATOM 404 CA THR A 31 1.852 7.779 -7.553 1.00 0.00 C ATOM 405 C THR A 31 2.115 8.916 -6.556 1.00 0.00 C ATOM 406 O THR A 31 1.847 10.073 -6.825 1.00 0.00 O ATOM 407 CB THR A 31 1.209 8.311 -8.841 1.00 0.00 C ATOM 408 OG1 THR A 31 0.351 7.314 -9.399 1.00 0.00 O ATOM 409 CG2 THR A 31 2.300 8.662 -9.855 1.00 0.00 C ATOM 0 H THR A 31 -0.086 6.895 -7.368 1.00 0.00 H new ATOM 0 HA THR A 31 2.813 7.307 -7.757 1.00 0.00 H new ATOM 0 HB THR A 31 0.628 9.203 -8.607 1.00 0.00 H new ATOM 0 HG1 THR A 31 -0.059 7.658 -10.220 1.00 0.00 H new ATOM 0 HG21 THR A 31 1.840 9.039 -10.768 1.00 0.00 H new ATOM 0 HG22 THR A 31 2.954 9.426 -9.436 1.00 0.00 H new ATOM 0 HG23 THR A 31 2.884 7.771 -10.084 1.00 0.00 H new ATOM 417 N ASN A 32 2.639 8.588 -5.400 1.00 0.00 N ATOM 418 CA ASN A 32 2.931 9.637 -4.376 1.00 0.00 C ATOM 419 C ASN A 32 4.200 9.268 -3.595 1.00 0.00 C ATOM 420 O ASN A 32 4.629 8.126 -3.582 1.00 0.00 O ATOM 421 CB ASN A 32 1.697 9.673 -3.455 1.00 0.00 C ATOM 422 CG ASN A 32 1.732 8.497 -2.477 1.00 0.00 C ATOM 423 OD1 ASN A 32 1.722 7.352 -2.882 1.00 0.00 O ATOM 424 ND2 ASN A 32 1.765 8.728 -1.195 1.00 0.00 N ATOM 0 H ASN A 32 2.877 7.636 -5.122 1.00 0.00 H new ATOM 0 HA ASN A 32 3.112 10.614 -4.824 1.00 0.00 H new ATOM 0 HB2 ASN A 32 1.673 10.613 -2.904 1.00 0.00 H new ATOM 0 HB3 ASN A 32 0.787 9.631 -4.053 1.00 0.00 H new ATOM 0 HD21 ASN A 32 1.782 7.949 -0.537 1.00 0.00 H new ATOM 0 HD22 ASN A 32 1.774 9.688 -0.850 1.00 0.00 H new ATOM 431 N TRP A 33 4.815 10.232 -2.966 1.00 0.00 N ATOM 432 CA TRP A 33 6.081 9.965 -2.205 1.00 0.00 C ATOM 433 C TRP A 33 6.055 10.741 -0.883 1.00 0.00 C ATOM 434 O TRP A 33 6.029 10.164 0.186 1.00 0.00 O ATOM 435 CB TRP A 33 7.251 10.460 -3.104 1.00 0.00 C ATOM 436 CG TRP A 33 6.726 11.027 -4.393 1.00 0.00 C ATOM 437 CD1 TRP A 33 6.449 12.328 -4.626 1.00 0.00 C ATOM 438 CD2 TRP A 33 6.385 10.312 -5.611 1.00 0.00 C ATOM 439 NE1 TRP A 33 5.950 12.452 -5.911 1.00 0.00 N ATOM 440 CE2 TRP A 33 5.895 11.238 -6.559 1.00 0.00 C ATOM 441 CE3 TRP A 33 6.447 8.958 -5.977 1.00 0.00 C ATOM 442 CZ2 TRP A 33 5.484 10.833 -7.828 1.00 0.00 C ATOM 443 CZ3 TRP A 33 6.037 8.545 -7.251 1.00 0.00 C ATOM 444 CH2 TRP A 33 5.552 9.482 -8.179 1.00 0.00 C ATOM 0 H TRP A 33 4.497 11.201 -2.943 1.00 0.00 H new ATOM 0 HA TRP A 33 6.196 8.907 -1.970 1.00 0.00 H new ATOM 0 HB2 TRP A 33 7.827 11.219 -2.575 1.00 0.00 H new ATOM 0 HB3 TRP A 33 7.930 9.633 -3.314 1.00 0.00 H new ATOM 0 HD1 TRP A 33 6.593 13.138 -3.926 1.00 0.00 H new ATOM 0 HE1 TRP A 33 5.658 13.336 -6.328 1.00 0.00 H new ATOM 0 HE3 TRP A 33 6.814 8.229 -5.270 1.00 0.00 H new ATOM 0 HZ2 TRP A 33 5.115 11.560 -8.536 1.00 0.00 H new ATOM 0 HZ3 TRP A 33 6.094 7.501 -7.521 1.00 0.00 H new ATOM 0 HH2 TRP A 33 5.233 9.160 -9.159 1.00 0.00 H new ATOM 455 N ILE A 34 6.052 12.046 -0.959 1.00 0.00 N ATOM 456 CA ILE A 34 6.022 12.879 0.284 1.00 0.00 C ATOM 457 C ILE A 34 4.578 13.328 0.580 1.00 0.00 C ATOM 458 O ILE A 34 4.272 13.792 1.665 1.00 0.00 O ATOM 459 CB ILE A 34 6.917 14.095 -0.018 1.00 0.00 C ATOM 460 CG1 ILE A 34 8.221 13.648 -0.706 1.00 0.00 C ATOM 461 CG2 ILE A 34 7.264 14.815 1.287 1.00 0.00 C ATOM 462 CD1 ILE A 34 9.129 14.861 -0.930 1.00 0.00 C ATOM 0 H ILE A 34 6.069 12.575 -1.831 1.00 0.00 H new ATOM 0 HA ILE A 34 6.374 12.330 1.158 1.00 0.00 H new ATOM 0 HB ILE A 34 6.374 14.767 -0.683 1.00 0.00 H new ATOM 0 HG12 ILE A 34 8.732 12.907 -0.091 1.00 0.00 H new ATOM 0 HG13 ILE A 34 7.995 13.170 -1.659 1.00 0.00 H new ATOM 0 HG21 ILE A 34 7.898 15.675 1.071 1.00 0.00 H new ATOM 0 HG22 ILE A 34 6.348 15.152 1.771 1.00 0.00 H new ATOM 0 HG23 ILE A 34 7.794 14.131 1.950 1.00 0.00 H new ATOM 0 HD11 ILE A 34 10.050 14.541 -1.417 1.00 0.00 H new ATOM 0 HD12 ILE A 34 8.618 15.587 -1.563 1.00 0.00 H new ATOM 0 HD13 ILE A 34 9.366 15.320 0.030 1.00 0.00 H new ATOM 474 N LEU A 35 3.689 13.187 -0.374 1.00 0.00 N ATOM 475 CA LEU A 35 2.273 13.594 -0.150 1.00 0.00 C ATOM 476 C LEU A 35 1.441 12.366 0.255 1.00 0.00 C ATOM 477 O LEU A 35 1.401 11.387 -0.469 1.00 0.00 O ATOM 478 CB LEU A 35 1.806 14.154 -1.498 1.00 0.00 C ATOM 479 CG LEU A 35 0.362 14.643 -1.384 1.00 0.00 C ATOM 480 CD1 LEU A 35 0.317 15.981 -0.641 1.00 0.00 C ATOM 481 CD2 LEU A 35 -0.222 14.821 -2.785 1.00 0.00 C ATOM 0 H LEU A 35 3.887 12.806 -1.299 1.00 0.00 H new ATOM 0 HA LEU A 35 2.164 14.329 0.648 1.00 0.00 H new ATOM 0 HB2 LEU A 35 2.454 14.975 -1.805 1.00 0.00 H new ATOM 0 HB3 LEU A 35 1.879 13.385 -2.267 1.00 0.00 H new ATOM 0 HG LEU A 35 -0.222 13.908 -0.830 1.00 0.00 H new ATOM 0 HD11 LEU A 35 -0.716 16.321 -0.565 1.00 0.00 H new ATOM 0 HD12 LEU A 35 0.732 15.856 0.359 1.00 0.00 H new ATOM 0 HD13 LEU A 35 0.903 16.720 -1.187 1.00 0.00 H new ATOM 0 HD21 LEU A 35 -1.252 15.170 -2.708 1.00 0.00 H new ATOM 0 HD22 LEU A 35 0.369 15.553 -3.335 1.00 0.00 H new ATOM 0 HD23 LEU A 35 -0.200 13.867 -3.312 1.00 0.00 H new ATOM 493 N PRO A 36 0.806 12.460 1.404 1.00 0.00 N ATOM 494 CA PRO A 36 -0.034 11.344 1.902 1.00 0.00 C ATOM 495 C PRO A 36 -1.384 11.324 1.159 1.00 0.00 C ATOM 496 O PRO A 36 -1.735 12.262 0.461 1.00 0.00 O ATOM 497 CB PRO A 36 -0.230 11.674 3.385 1.00 0.00 C ATOM 498 CG PRO A 36 -0.054 13.156 3.489 1.00 0.00 C ATOM 499 CD PRO A 36 0.811 13.601 2.333 1.00 0.00 C ATOM 0 HA PRO A 36 0.415 10.363 1.748 1.00 0.00 H new ATOM 0 HB2 PRO A 36 -1.219 11.371 3.727 1.00 0.00 H new ATOM 0 HB3 PRO A 36 0.497 11.148 4.004 1.00 0.00 H new ATOM 0 HG2 PRO A 36 -1.021 13.659 3.458 1.00 0.00 H new ATOM 0 HG3 PRO A 36 0.412 13.420 4.438 1.00 0.00 H new ATOM 0 HD2 PRO A 36 0.411 14.498 1.861 1.00 0.00 H new ATOM 0 HD3 PRO A 36 1.822 13.839 2.663 1.00 0.00 H new ATOM 507 N GLY A 37 -2.137 10.263 1.309 1.00 0.00 N ATOM 508 CA GLY A 37 -3.469 10.166 0.631 1.00 0.00 C ATOM 509 C GLY A 37 -4.242 8.979 1.220 1.00 0.00 C ATOM 510 O GLY A 37 -5.305 9.145 1.793 1.00 0.00 O ATOM 0 H GLY A 37 -1.885 9.453 1.876 1.00 0.00 H new ATOM 0 HA2 GLY A 37 -4.031 11.089 0.772 1.00 0.00 H new ATOM 0 HA3 GLY A 37 -3.337 10.034 -0.443 1.00 0.00 H new ATOM 514 N CYS A 38 -3.709 7.785 1.102 1.00 0.00 N ATOM 515 CA CYS A 38 -4.399 6.578 1.667 1.00 0.00 C ATOM 516 C CYS A 38 -3.400 5.737 2.483 1.00 0.00 C ATOM 517 O CYS A 38 -2.625 6.327 3.220 1.00 0.00 O ATOM 518 CB CYS A 38 -4.938 5.808 0.448 1.00 0.00 C ATOM 519 SG CYS A 38 -3.854 6.038 -0.992 1.00 0.00 S ATOM 520 OXT CYS A 38 -3.427 4.523 2.373 1.00 0.00 O ATOM 0 H CYS A 38 -2.822 7.593 0.637 1.00 0.00 H new ATOM 0 HA CYS A 38 -5.209 6.837 2.349 1.00 0.00 H new ATOM 0 HB2 CYS A 38 -5.013 4.747 0.687 1.00 0.00 H new ATOM 0 HB3 CYS A 38 -5.944 6.153 0.210 1.00 0.00 H new TER 525 CYS A 38