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+ 150:sc= 0.0574 (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+ 135:sc= 1.33 (180deg=-0.086) USER MOD Single : A 10 LYS NZ :NH3+ 161:sc=-0.00132 (180deg=-0.133) 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= -7.33! C(o=-7.3!,f=-9.8!) USER MOD Single : A 20 ASN : amide:sc= -1.71! C(o=-1.7!,f=-6.5!) USER MOD Single : A 24 SER OG : rot 180:sc= 0.135 USER MOD Single : A 29 HYP OD1 : rot -47:sc= 0.677 USER MOD Single : A 30 SER OG : rot 150:sc= -1.08 USER MOD Single : A 31 THR OG1 : rot 180:sc= 0.0711 USER MOD Single : A 32 ASN : amide:sc= 0.176 K(o=0.18,f=-15!) USER MOD ----------------------------------------------------------------- ATOM 1 N GLY A 1 15.414 -4.333 -1.374 1.00 0.00 N ATOM 2 CA GLY A 1 14.685 -5.610 -1.624 1.00 0.00 C ATOM 3 C GLY A 1 13.863 -5.478 -2.913 1.00 0.00 C ATOM 4 O GLY A 1 13.423 -4.396 -3.245 1.00 0.00 O ATOM 0 H1 GLY A 1 15.540 -4.200 -0.350 1.00 0.00 H new ATOM 0 H2 GLY A 1 16.345 -4.369 -1.836 1.00 0.00 H new ATOM 0 H3 GLY A 1 14.866 -3.539 -1.762 1.00 0.00 H new ATOM 0 HA2 GLY A 1 15.392 -6.435 -1.712 1.00 0.00 H new ATOM 0 HA3 GLY A 1 14.031 -5.840 -0.783 1.00 0.00 H new HETATM 10 N HYP A 2 13.683 -6.581 -3.601 1.00 0.00 N HETATM 11 CA HYP A 2 12.912 -6.566 -4.868 1.00 0.00 C HETATM 12 C HYP A 2 11.419 -6.312 -4.606 1.00 0.00 C HETATM 13 O HYP A 2 10.761 -5.627 -5.367 1.00 0.00 O HETATM 14 CB HYP A 2 13.158 -7.957 -5.453 1.00 0.00 C HETATM 15 CG HYP A 2 13.502 -8.828 -4.282 1.00 0.00 C HETATM 16 CD HYP A 2 14.171 -7.927 -3.272 1.00 0.00 C HETATM 17 OD1 HYP A 2 14.365 -9.909 -4.655 1.00 0.00 O HETATM 0 HD23 HYP A 2 15.257 -7.985 -3.346 1.00 0.00 H new HETATM 0 HD22 HYP A 2 13.906 -8.207 -2.253 1.00 0.00 H new HETATM 0 HG HYP A 2 12.605 -9.293 -3.873 1.00 0.00 H new HETATM 0 HD1 HYP A 2 14.568 -10.453 -3.865 1.00 0.00 H new HETATM 0 HB3 HYP A 2 12.273 -8.327 -5.971 1.00 0.00 H new HETATM 0 HB2 HYP A 2 13.969 -7.939 -6.181 1.00 0.00 H new HETATM 0 HA HYP A 2 13.219 -5.769 -5.546 1.00 0.00 H new ATOM 25 N SER A 3 10.881 -6.850 -3.543 1.00 0.00 N ATOM 26 CA SER A 3 9.431 -6.632 -3.247 1.00 0.00 C ATOM 27 C SER A 3 9.265 -5.677 -2.055 1.00 0.00 C ATOM 28 O SER A 3 10.225 -5.321 -1.392 1.00 0.00 O ATOM 29 CB SER A 3 8.881 -8.023 -2.913 1.00 0.00 C ATOM 30 OG SER A 3 9.235 -8.937 -3.949 1.00 0.00 O ATOM 0 H SER A 3 11.380 -7.429 -2.868 1.00 0.00 H new ATOM 0 HA SER A 3 8.902 -6.178 -4.085 1.00 0.00 H new ATOM 0 HB2 SER A 3 9.283 -8.365 -1.959 1.00 0.00 H new ATOM 0 HB3 SER A 3 7.797 -7.981 -2.806 1.00 0.00 H new ATOM 0 HG SER A 3 8.885 -9.827 -3.734 1.00 0.00 H new ATOM 36 N PHE A 4 8.055 -5.251 -1.784 1.00 0.00 N ATOM 37 CA PHE A 4 7.826 -4.310 -0.640 1.00 0.00 C ATOM 38 C PHE A 4 7.838 -5.060 0.700 1.00 0.00 C ATOM 39 O PHE A 4 8.391 -6.135 0.817 1.00 0.00 O ATOM 40 CB PHE A 4 6.449 -3.680 -0.891 1.00 0.00 C ATOM 41 CG PHE A 4 6.604 -2.191 -1.104 1.00 0.00 C ATOM 42 CD1 PHE A 4 7.200 -1.396 -0.118 1.00 0.00 C ATOM 43 CD2 PHE A 4 6.146 -1.606 -2.288 1.00 0.00 C ATOM 44 CE1 PHE A 4 7.337 -0.018 -0.321 1.00 0.00 C ATOM 45 CE2 PHE A 4 6.282 -0.230 -2.490 1.00 0.00 C ATOM 46 CZ PHE A 4 6.875 0.565 -1.505 1.00 0.00 C ATOM 0 H PHE A 4 7.217 -5.513 -2.303 1.00 0.00 H new ATOM 0 HA PHE A 4 8.612 -3.557 -0.582 1.00 0.00 H new ATOM 0 HB2 PHE A 4 5.983 -4.136 -1.764 1.00 0.00 H new ATOM 0 HB3 PHE A 4 5.791 -3.870 -0.043 1.00 0.00 H new ATOM 0 HD1 PHE A 4 7.554 -1.845 0.798 1.00 0.00 H new ATOM 0 HD2 PHE A 4 5.686 -2.219 -3.049 1.00 0.00 H new ATOM 0 HE1 PHE A 4 7.800 0.596 0.438 1.00 0.00 H new ATOM 0 HE2 PHE A 4 5.929 0.219 -3.407 1.00 0.00 H new ATOM 0 HZ PHE A 4 6.976 1.629 -1.658 1.00 0.00 H new ATOM 56 N CYS A 5 7.233 -4.493 1.714 1.00 0.00 N ATOM 57 CA CYS A 5 7.213 -5.168 3.056 1.00 0.00 C ATOM 58 C CYS A 5 6.153 -6.272 3.076 1.00 0.00 C ATOM 59 O CYS A 5 6.452 -7.417 3.339 1.00 0.00 O ATOM 60 CB CYS A 5 6.870 -4.079 4.091 1.00 0.00 C ATOM 61 SG CYS A 5 7.396 -2.442 3.501 1.00 0.00 S ATOM 0 H CYS A 5 6.752 -3.594 1.675 1.00 0.00 H new ATOM 0 HA CYS A 5 8.174 -5.631 3.278 1.00 0.00 H new ATOM 0 HB2 CYS A 5 5.796 -4.075 4.280 1.00 0.00 H new ATOM 0 HB3 CYS A 5 7.360 -4.304 5.039 1.00 0.00 H new ATOM 66 N LYS A 6 4.916 -5.944 2.800 1.00 0.00 N ATOM 67 CA LYS A 6 3.852 -6.991 2.808 1.00 0.00 C ATOM 68 C LYS A 6 3.705 -7.595 1.406 1.00 0.00 C ATOM 69 O LYS A 6 4.109 -8.718 1.160 1.00 0.00 O ATOM 70 CB LYS A 6 2.569 -6.261 3.237 1.00 0.00 C ATOM 71 CG LYS A 6 2.735 -5.718 4.662 1.00 0.00 C ATOM 72 CD LYS A 6 1.676 -6.344 5.578 1.00 0.00 C ATOM 73 CE LYS A 6 2.274 -6.600 6.966 1.00 0.00 C ATOM 74 NZ LYS A 6 1.122 -6.559 7.911 1.00 0.00 N ATOM 0 H LYS A 6 4.599 -5.002 2.571 1.00 0.00 H new ATOM 0 HA LYS A 6 4.081 -7.816 3.483 1.00 0.00 H new ATOM 0 HB2 LYS A 6 2.357 -5.443 2.548 1.00 0.00 H new ATOM 0 HB3 LYS A 6 1.720 -6.943 3.194 1.00 0.00 H new ATOM 0 HG2 LYS A 6 3.734 -5.946 5.035 1.00 0.00 H new ATOM 0 HG3 LYS A 6 2.635 -4.633 4.662 1.00 0.00 H new ATOM 0 HD2 LYS A 6 0.815 -5.681 5.660 1.00 0.00 H new ATOM 0 HD3 LYS A 6 1.318 -7.280 5.148 1.00 0.00 H new ATOM 0 HE2 LYS A 6 2.778 -7.566 7.004 1.00 0.00 H new ATOM 0 HE3 LYS A 6 3.016 -5.843 7.219 1.00 0.00 H new ATOM 0 HZ1 LYS A 6 1.189 -7.356 8.575 1.00 0.00 H new ATOM 0 HZ2 LYS A 6 1.139 -5.664 8.441 1.00 0.00 H new ATOM 0 HZ3 LYS A 6 0.232 -6.628 7.377 1.00 0.00 H new ATOM 88 N ALA A 7 3.136 -6.856 0.491 1.00 0.00 N ATOM 89 CA ALA A 7 2.951 -7.360 -0.905 1.00 0.00 C ATOM 90 C ALA A 7 2.456 -6.227 -1.810 1.00 0.00 C ATOM 91 O ALA A 7 2.322 -5.096 -1.377 1.00 0.00 O ATOM 92 CB ALA A 7 1.883 -8.458 -0.801 1.00 0.00 C ATOM 0 H ALA A 7 2.786 -5.911 0.652 1.00 0.00 H new ATOM 0 HA ALA A 7 3.881 -7.735 -1.332 1.00 0.00 H new ATOM 0 HB1 ALA A 7 1.694 -8.876 -1.790 1.00 0.00 H new ATOM 0 HB2 ALA A 7 2.235 -9.246 -0.135 1.00 0.00 H new ATOM 0 HB3 ALA A 7 0.961 -8.033 -0.404 1.00 0.00 H new ATOM 98 N ASP A 8 2.182 -6.524 -3.053 1.00 0.00 N ATOM 99 CA ASP A 8 1.679 -5.484 -3.994 1.00 0.00 C ATOM 100 C ASP A 8 0.803 -6.134 -5.063 1.00 0.00 C ATOM 101 O ASP A 8 0.847 -7.338 -5.260 1.00 0.00 O ATOM 102 CB ASP A 8 2.923 -4.853 -4.623 1.00 0.00 C ATOM 103 CG ASP A 8 2.844 -3.334 -4.482 1.00 0.00 C ATOM 104 OD1 ASP A 8 1.875 -2.761 -4.947 1.00 0.00 O ATOM 105 OD2 ASP A 8 3.755 -2.769 -3.905 1.00 0.00 O ATOM 0 H ASP A 8 2.287 -7.454 -3.459 1.00 0.00 H new ATOM 0 HA ASP A 8 1.071 -4.734 -3.488 1.00 0.00 H new ATOM 0 HB2 ASP A 8 3.822 -5.229 -4.135 1.00 0.00 H new ATOM 0 HB3 ASP A 8 2.993 -5.129 -5.675 1.00 0.00 H new ATOM 110 N GLU A 9 -0.023 -5.360 -5.726 1.00 0.00 N ATOM 111 CA GLU A 9 -0.945 -5.934 -6.754 1.00 0.00 C ATOM 112 C GLU A 9 -1.700 -7.125 -6.148 1.00 0.00 C ATOM 113 O GLU A 9 -2.044 -8.072 -6.824 1.00 0.00 O ATOM 114 CB GLU A 9 -0.059 -6.391 -7.919 1.00 0.00 C ATOM 115 CG GLU A 9 0.857 -5.245 -8.368 1.00 0.00 C ATOM 116 CD GLU A 9 1.598 -5.638 -9.651 1.00 0.00 C ATOM 117 OE1 GLU A 9 2.045 -6.767 -9.740 1.00 0.00 O ATOM 118 OE2 GLU A 9 1.706 -4.799 -10.525 1.00 0.00 O ATOM 0 H GLU A 9 -0.098 -4.351 -5.598 1.00 0.00 H new ATOM 0 HA GLU A 9 -1.684 -5.208 -7.093 1.00 0.00 H new ATOM 0 HB2 GLU A 9 0.541 -7.248 -7.615 1.00 0.00 H new ATOM 0 HB3 GLU A 9 -0.681 -6.717 -8.753 1.00 0.00 H new ATOM 0 HG2 GLU A 9 0.268 -4.344 -8.540 1.00 0.00 H new ATOM 0 HG3 GLU A 9 1.574 -5.012 -7.581 1.00 0.00 H new ATOM 125 N LYS A 10 -1.940 -7.083 -4.861 1.00 0.00 N ATOM 126 CA LYS A 10 -2.653 -8.198 -4.186 1.00 0.00 C ATOM 127 C LYS A 10 -3.858 -7.646 -3.432 1.00 0.00 C ATOM 128 O LYS A 10 -3.770 -6.586 -2.833 1.00 0.00 O ATOM 129 CB LYS A 10 -1.628 -8.776 -3.208 1.00 0.00 C ATOM 130 CG LYS A 10 -2.180 -10.058 -2.575 1.00 0.00 C ATOM 131 CD LYS A 10 -1.032 -10.848 -1.939 1.00 0.00 C ATOM 132 CE LYS A 10 -0.959 -12.246 -2.565 1.00 0.00 C ATOM 133 NZ LYS A 10 -0.460 -12.040 -3.957 1.00 0.00 N ATOM 0 H LYS A 10 -1.668 -6.314 -4.248 1.00 0.00 H new ATOM 0 HA LYS A 10 -3.022 -8.951 -4.882 1.00 0.00 H new ATOM 0 HB2 LYS A 10 -0.695 -8.989 -3.729 1.00 0.00 H new ATOM 0 HB3 LYS A 10 -1.400 -8.045 -2.432 1.00 0.00 H new ATOM 0 HG2 LYS A 10 -2.928 -9.811 -1.821 1.00 0.00 H new ATOM 0 HG3 LYS A 10 -2.678 -10.665 -3.331 1.00 0.00 H new ATOM 0 HD2 LYS A 10 -0.089 -10.322 -2.089 1.00 0.00 H new ATOM 0 HD3 LYS A 10 -1.185 -10.928 -0.863 1.00 0.00 H new ATOM 0 HE2 LYS A 10 -0.288 -12.893 -2.000 1.00 0.00 H new ATOM 0 HE3 LYS A 10 -1.938 -12.726 -2.567 1.00 0.00 H new ATOM 0 HZ1 LYS A 10 -0.085 -12.936 -4.327 1.00 0.00 H new ATOM 0 HZ2 LYS A 10 -1.242 -11.716 -4.562 1.00 0.00 H new ATOM 0 HZ3 LYS A 10 0.295 -11.324 -3.953 1.00 0.00 H new HETATM 147 N HYP A 11 -4.942 -8.374 -3.484 1.00 0.00 N HETATM 148 CA HYP A 11 -6.175 -7.953 -2.784 1.00 0.00 C HETATM 149 C HYP A 11 -5.953 -7.932 -1.262 1.00 0.00 C HETATM 150 O HYP A 11 -5.180 -8.696 -0.720 1.00 0.00 O HETATM 151 CB HYP A 11 -7.203 -9.006 -3.195 1.00 0.00 C HETATM 152 CG HYP A 11 -6.389 -10.204 -3.569 1.00 0.00 C HETATM 153 CD HYP A 11 -5.133 -9.647 -4.188 1.00 0.00 C HETATM 154 OD1 HYP A 11 -7.091 -11.062 -4.480 1.00 0.00 O HETATM 0 HD23 HYP A 11 -5.246 -9.499 -5.262 1.00 0.00 H new HETATM 0 HD22 HYP A 11 -4.284 -10.316 -4.046 1.00 0.00 H new HETATM 0 HG HYP A 11 -6.171 -10.828 -2.702 1.00 0.00 H new HETATM 0 HD1 HYP A 11 -6.528 -11.833 -4.703 1.00 0.00 H new HETATM 0 HB3 HYP A 11 -7.888 -9.232 -2.377 1.00 0.00 H new HETATM 0 HB2 HYP A 11 -7.810 -8.662 -4.033 1.00 0.00 H new HETATM 0 HA HYP A 11 -6.496 -6.944 -3.044 1.00 0.00 H new ATOM 162 N CYS A 12 -6.622 -7.042 -0.586 1.00 0.00 N ATOM 163 CA CYS A 12 -6.472 -6.919 0.898 1.00 0.00 C ATOM 164 C CYS A 12 -7.743 -6.285 1.489 1.00 0.00 C ATOM 165 O CYS A 12 -8.830 -6.490 0.981 1.00 0.00 O ATOM 166 CB CYS A 12 -5.253 -6.004 1.072 1.00 0.00 C ATOM 167 SG CYS A 12 -5.484 -4.515 0.054 1.00 0.00 S ATOM 0 H CYS A 12 -7.278 -6.382 -1.002 1.00 0.00 H new ATOM 0 HA CYS A 12 -6.336 -7.873 1.407 1.00 0.00 H new ATOM 0 HB2 CYS A 12 -5.134 -5.729 2.120 1.00 0.00 H new ATOM 0 HB3 CYS A 12 -4.344 -6.527 0.775 1.00 0.00 H new ATOM 172 N GLU A 13 -7.628 -5.524 2.550 1.00 0.00 N ATOM 173 CA GLU A 13 -8.840 -4.889 3.155 1.00 0.00 C ATOM 174 C GLU A 13 -8.603 -3.386 3.372 1.00 0.00 C ATOM 175 O GLU A 13 -9.257 -2.556 2.771 1.00 0.00 O ATOM 176 CB GLU A 13 -9.038 -5.610 4.496 1.00 0.00 C ATOM 177 CG GLU A 13 -10.538 -5.735 4.805 1.00 0.00 C ATOM 178 CD GLU A 13 -10.746 -6.119 6.276 1.00 0.00 C ATOM 179 OE1 GLU A 13 -9.962 -6.895 6.794 1.00 0.00 O ATOM 180 OE2 GLU A 13 -11.694 -5.630 6.865 1.00 0.00 O ATOM 0 H GLU A 13 -6.748 -5.315 3.023 1.00 0.00 H new ATOM 0 HA GLU A 13 -9.717 -4.977 2.514 1.00 0.00 H new ATOM 0 HB2 GLU A 13 -8.582 -6.599 4.458 1.00 0.00 H new ATOM 0 HB3 GLU A 13 -8.538 -5.059 5.293 1.00 0.00 H new ATOM 0 HG2 GLU A 13 -11.040 -4.791 4.594 1.00 0.00 H new ATOM 0 HG3 GLU A 13 -10.989 -6.488 4.158 1.00 0.00 H new ATOM 187 N TYR A 14 -7.673 -3.026 4.223 1.00 0.00 N ATOM 188 CA TYR A 14 -7.406 -1.575 4.476 1.00 0.00 C ATOM 189 C TYR A 14 -6.014 -1.180 3.965 1.00 0.00 C ATOM 190 O TYR A 14 -5.235 -2.017 3.545 1.00 0.00 O ATOM 191 CB TYR A 14 -7.493 -1.410 5.993 1.00 0.00 C ATOM 192 CG TYR A 14 -8.937 -1.498 6.426 1.00 0.00 C ATOM 193 CD1 TYR A 14 -9.821 -0.455 6.124 1.00 0.00 C ATOM 194 CD2 TYR A 14 -9.397 -2.628 7.115 1.00 0.00 C ATOM 195 CE1 TYR A 14 -11.160 -0.539 6.520 1.00 0.00 C ATOM 196 CE2 TYR A 14 -10.734 -2.709 7.509 1.00 0.00 C ATOM 197 CZ TYR A 14 -11.616 -1.669 7.208 1.00 0.00 C ATOM 198 OH TYR A 14 -12.936 -1.754 7.594 1.00 0.00 O ATOM 0 H TYR A 14 -7.088 -3.673 4.752 1.00 0.00 H new ATOM 0 HA TYR A 14 -8.118 -0.935 3.956 1.00 0.00 H new ATOM 0 HB2 TYR A 14 -6.906 -2.183 6.488 1.00 0.00 H new ATOM 0 HB3 TYR A 14 -7.071 -0.450 6.290 1.00 0.00 H new ATOM 0 HD1 TYR A 14 -9.470 0.413 5.586 1.00 0.00 H new ATOM 0 HD2 TYR A 14 -8.717 -3.436 7.341 1.00 0.00 H new ATOM 0 HE1 TYR A 14 -11.842 0.268 6.295 1.00 0.00 H new ATOM 0 HE2 TYR A 14 -11.086 -3.577 8.047 1.00 0.00 H new ATOM 0 HH TYR A 14 -13.087 -2.603 8.060 1.00 0.00 H new ATOM 208 N HIS A 15 -5.692 0.091 4.003 1.00 0.00 N ATOM 209 CA HIS A 15 -4.350 0.556 3.511 1.00 0.00 C ATOM 210 C HIS A 15 -3.251 0.330 4.565 1.00 0.00 C ATOM 211 O HIS A 15 -2.097 0.618 4.322 1.00 0.00 O ATOM 212 CB HIS A 15 -4.492 2.062 3.230 1.00 0.00 C ATOM 213 CG HIS A 15 -5.557 2.310 2.187 1.00 0.00 C ATOM 214 ND1 HIS A 15 -6.899 2.408 2.519 1.00 0.00 N ATOM 215 CD2 HIS A 15 -5.500 2.491 0.821 1.00 0.00 C ATOM 216 CE1 HIS A 15 -7.582 2.639 1.386 1.00 0.00 C ATOM 217 NE2 HIS A 15 -6.779 2.701 0.325 1.00 0.00 N ATOM 0 H HIS A 15 -6.301 0.831 4.354 1.00 0.00 H new ATOM 0 HA HIS A 15 -4.059 -0.004 2.622 1.00 0.00 H new ATOM 0 HB2 HIS A 15 -4.748 2.587 4.151 1.00 0.00 H new ATOM 0 HB3 HIS A 15 -3.539 2.465 2.887 1.00 0.00 H new ATOM 0 HD1 HIS A 15 -7.296 2.321 3.454 1.00 0.00 H new ATOM 0 HD2 HIS A 15 -4.598 2.472 0.228 1.00 0.00 H new ATOM 0 HE1 HIS A 15 -8.654 2.760 1.341 1.00 0.00 H new ATOM 225 N ALA A 16 -3.591 -0.159 5.734 1.00 0.00 N ATOM 226 CA ALA A 16 -2.554 -0.369 6.797 1.00 0.00 C ATOM 227 C ALA A 16 -1.715 -1.638 6.554 1.00 0.00 C ATOM 228 O ALA A 16 -0.560 -1.688 6.921 1.00 0.00 O ATOM 229 CB ALA A 16 -3.346 -0.507 8.098 1.00 0.00 C ATOM 0 H ALA A 16 -4.540 -0.422 5.999 1.00 0.00 H new ATOM 0 HA ALA A 16 -1.844 0.458 6.814 1.00 0.00 H new ATOM 0 HB1 ALA A 16 -2.657 -0.664 8.928 1.00 0.00 H new ATOM 0 HB2 ALA A 16 -3.922 0.402 8.271 1.00 0.00 H new ATOM 0 HB3 ALA A 16 -4.024 -1.357 8.023 1.00 0.00 H new ATOM 235 N ASP A 17 -2.274 -2.662 5.961 1.00 0.00 N ATOM 236 CA ASP A 17 -1.486 -3.920 5.735 1.00 0.00 C ATOM 237 C ASP A 17 -0.636 -3.828 4.458 1.00 0.00 C ATOM 238 O ASP A 17 -0.700 -4.681 3.597 1.00 0.00 O ATOM 239 CB ASP A 17 -2.527 -5.040 5.610 1.00 0.00 C ATOM 240 CG ASP A 17 -1.861 -6.392 5.868 1.00 0.00 C ATOM 241 OD1 ASP A 17 -1.456 -6.626 6.991 1.00 0.00 O ATOM 242 OD2 ASP A 17 -1.769 -7.174 4.941 1.00 0.00 O ATOM 0 H ASP A 17 -3.236 -2.686 5.624 1.00 0.00 H new ATOM 0 HA ASP A 17 -0.788 -4.100 6.553 1.00 0.00 H new ATOM 0 HB2 ASP A 17 -3.335 -4.880 6.323 1.00 0.00 H new ATOM 0 HB3 ASP A 17 -2.972 -5.027 4.615 1.00 0.00 H new ATOM 247 N CYS A 18 0.165 -2.804 4.332 1.00 0.00 N ATOM 248 CA CYS A 18 1.030 -2.658 3.113 1.00 0.00 C ATOM 249 C CYS A 18 1.933 -1.427 3.261 1.00 0.00 C ATOM 250 O CYS A 18 1.730 -0.608 4.132 1.00 0.00 O ATOM 251 CB CYS A 18 0.053 -2.476 1.942 1.00 0.00 C ATOM 252 SG CYS A 18 0.010 -3.993 0.951 1.00 0.00 S ATOM 0 H CYS A 18 0.262 -2.057 5.020 1.00 0.00 H new ATOM 0 HA CYS A 18 1.681 -3.519 2.961 1.00 0.00 H new ATOM 0 HB2 CYS A 18 -0.944 -2.246 2.318 1.00 0.00 H new ATOM 0 HB3 CYS A 18 0.362 -1.633 1.324 1.00 0.00 H new ATOM 257 N CYS A 19 2.924 -1.282 2.417 1.00 0.00 N ATOM 258 CA CYS A 19 3.831 -0.091 2.526 1.00 0.00 C ATOM 259 C CYS A 19 3.513 0.945 1.445 1.00 0.00 C ATOM 260 O CYS A 19 4.334 1.776 1.115 1.00 0.00 O ATOM 261 CB CYS A 19 5.240 -0.641 2.351 1.00 0.00 C ATOM 262 SG CYS A 19 5.843 -1.234 3.955 1.00 0.00 S ATOM 0 H CYS A 19 3.146 -1.930 1.661 1.00 0.00 H new ATOM 0 HA CYS A 19 3.710 0.420 3.481 1.00 0.00 H new ATOM 0 HB2 CYS A 19 5.240 -1.454 1.625 1.00 0.00 H new ATOM 0 HB3 CYS A 19 5.901 0.134 1.963 1.00 0.00 H new ATOM 267 N ASN A 20 2.323 0.911 0.912 1.00 0.00 N ATOM 268 CA ASN A 20 1.921 1.898 -0.134 1.00 0.00 C ATOM 269 C ASN A 20 0.452 2.284 0.081 1.00 0.00 C ATOM 270 O ASN A 20 0.158 3.139 0.888 1.00 0.00 O ATOM 271 CB ASN A 20 2.137 1.203 -1.488 1.00 0.00 C ATOM 272 CG ASN A 20 1.801 -0.287 -1.384 1.00 0.00 C ATOM 273 OD1 ASN A 20 0.644 -0.646 -1.297 1.00 0.00 O ATOM 274 ND2 ASN A 20 2.759 -1.169 -1.349 1.00 0.00 N ATOM 0 H ASN A 20 1.602 0.233 1.159 1.00 0.00 H new ATOM 0 HA ASN A 20 2.506 2.817 -0.091 1.00 0.00 H new ATOM 0 HB2 ASN A 20 1.511 1.671 -2.248 1.00 0.00 H new ATOM 0 HB3 ASN A 20 3.172 1.327 -1.807 1.00 0.00 H new ATOM 0 HD21 ASN A 20 2.537 -2.159 -1.249 1.00 0.00 H new ATOM 0 HD22 ASN A 20 3.731 -0.869 -1.422 1.00 0.00 H new ATOM 281 N CYS A 21 -0.480 1.665 -0.604 1.00 0.00 N ATOM 282 CA CYS A 21 -1.911 2.034 -0.383 1.00 0.00 C ATOM 283 C CYS A 21 -2.862 0.935 -0.876 1.00 0.00 C ATOM 284 O CYS A 21 -3.017 0.724 -2.060 1.00 0.00 O ATOM 285 CB CYS A 21 -2.120 3.325 -1.182 1.00 0.00 C ATOM 286 SG CYS A 21 -2.354 4.718 -0.040 1.00 0.00 S ATOM 0 H CYS A 21 -0.315 0.933 -1.295 1.00 0.00 H new ATOM 0 HA CYS A 21 -2.127 2.163 0.678 1.00 0.00 H new ATOM 0 HB2 CYS A 21 -1.260 3.510 -1.825 1.00 0.00 H new ATOM 0 HB3 CYS A 21 -2.989 3.225 -1.833 1.00 0.00 H new ATOM 291 N CYS A 22 -3.530 0.261 0.026 1.00 0.00 N ATOM 292 CA CYS A 22 -4.509 -0.794 -0.403 1.00 0.00 C ATOM 293 C CYS A 22 -5.809 -0.090 -0.803 1.00 0.00 C ATOM 294 O CYS A 22 -6.686 0.088 0.008 1.00 0.00 O ATOM 295 CB CYS A 22 -4.739 -1.691 0.818 1.00 0.00 C ATOM 296 SG CYS A 22 -3.954 -3.301 0.567 1.00 0.00 S ATOM 0 H CYS A 22 -3.444 0.391 1.034 1.00 0.00 H new ATOM 0 HA CYS A 22 -4.153 -1.386 -1.246 1.00 0.00 H new ATOM 0 HB2 CYS A 22 -4.332 -1.215 1.710 1.00 0.00 H new ATOM 0 HB3 CYS A 22 -5.808 -1.822 0.986 1.00 0.00 H new ATOM 301 N LEU A 23 -5.909 0.342 -2.035 1.00 0.00 N ATOM 302 CA LEU A 23 -7.126 1.093 -2.489 1.00 0.00 C ATOM 303 C LEU A 23 -8.388 0.221 -2.491 1.00 0.00 C ATOM 304 O LEU A 23 -8.917 -0.110 -1.449 1.00 0.00 O ATOM 305 CB LEU A 23 -6.757 1.608 -3.886 1.00 0.00 C ATOM 306 CG LEU A 23 -6.225 3.043 -3.782 1.00 0.00 C ATOM 307 CD1 LEU A 23 -5.031 3.089 -2.832 1.00 0.00 C ATOM 308 CD2 LEU A 23 -5.771 3.521 -5.157 1.00 0.00 C ATOM 0 H LEU A 23 -5.197 0.207 -2.752 1.00 0.00 H new ATOM 0 HA LEU A 23 -7.381 1.908 -1.812 1.00 0.00 H new ATOM 0 HB2 LEU A 23 -6.003 0.962 -4.335 1.00 0.00 H new ATOM 0 HB3 LEU A 23 -7.630 1.580 -4.537 1.00 0.00 H new ATOM 0 HG LEU A 23 -7.021 3.685 -3.405 1.00 0.00 H new ATOM 0 HD11 LEU A 23 -4.659 4.111 -2.764 1.00 0.00 H new ATOM 0 HD12 LEU A 23 -5.339 2.748 -1.844 1.00 0.00 H new ATOM 0 HD13 LEU A 23 -4.241 2.440 -3.209 1.00 0.00 H new ATOM 0 HD21 LEU A 23 -5.393 4.541 -5.081 1.00 0.00 H new ATOM 0 HD22 LEU A 23 -4.981 2.868 -5.527 1.00 0.00 H new ATOM 0 HD23 LEU A 23 -6.614 3.497 -5.847 1.00 0.00 H new ATOM 320 N SER A 24 -8.891 -0.132 -3.632 1.00 0.00 N ATOM 321 CA SER A 24 -10.136 -0.964 -3.691 1.00 0.00 C ATOM 322 C SER A 24 -9.848 -2.391 -3.203 1.00 0.00 C ATOM 323 O SER A 24 -10.060 -3.357 -3.907 1.00 0.00 O ATOM 324 CB SER A 24 -10.556 -0.965 -5.168 1.00 0.00 C ATOM 325 OG SER A 24 -9.411 -0.767 -5.993 1.00 0.00 O ATOM 0 H SER A 24 -8.497 0.117 -4.539 1.00 0.00 H new ATOM 0 HA SER A 24 -10.924 -0.567 -3.051 1.00 0.00 H new ATOM 0 HB2 SER A 24 -11.038 -1.910 -5.418 1.00 0.00 H new ATOM 0 HB3 SER A 24 -11.287 -0.177 -5.349 1.00 0.00 H new ATOM 0 HG SER A 24 -9.682 -0.770 -6.935 1.00 0.00 H new ATOM 331 N GLY A 25 -9.357 -2.525 -2.005 1.00 0.00 N ATOM 332 CA GLY A 25 -9.042 -3.873 -1.469 1.00 0.00 C ATOM 333 C GLY A 25 -7.839 -4.453 -2.218 1.00 0.00 C ATOM 334 O GLY A 25 -7.716 -5.647 -2.329 1.00 0.00 O ATOM 0 H GLY A 25 -9.159 -1.751 -1.370 1.00 0.00 H new ATOM 0 HA2 GLY A 25 -8.824 -3.810 -0.403 1.00 0.00 H new ATOM 0 HA3 GLY A 25 -9.904 -4.531 -1.580 1.00 0.00 H new ATOM 338 N ILE A 26 -6.950 -3.623 -2.726 1.00 0.00 N ATOM 339 CA ILE A 26 -5.742 -4.144 -3.462 1.00 0.00 C ATOM 340 C ILE A 26 -4.511 -3.344 -3.054 1.00 0.00 C ATOM 341 O ILE A 26 -4.576 -2.135 -2.947 1.00 0.00 O ATOM 342 CB ILE A 26 -5.981 -3.923 -4.964 1.00 0.00 C ATOM 343 CG1 ILE A 26 -7.460 -4.098 -5.315 1.00 0.00 C ATOM 344 CG2 ILE A 26 -5.139 -4.929 -5.752 1.00 0.00 C ATOM 345 CD1 ILE A 26 -7.851 -5.581 -5.253 1.00 0.00 C ATOM 0 H ILE A 26 -7.008 -2.607 -2.663 1.00 0.00 H new ATOM 0 HA ILE A 26 -5.587 -5.198 -3.232 1.00 0.00 H new ATOM 0 HB ILE A 26 -5.691 -2.905 -5.223 1.00 0.00 H new ATOM 0 HG12 ILE A 26 -8.075 -3.524 -4.623 1.00 0.00 H new ATOM 0 HG13 ILE A 26 -7.653 -3.706 -6.314 1.00 0.00 H new ATOM 0 HG21 ILE A 26 -5.301 -4.781 -6.820 1.00 0.00 H new ATOM 0 HG22 ILE A 26 -4.084 -4.781 -5.521 1.00 0.00 H new ATOM 0 HG23 ILE A 26 -5.432 -5.942 -5.477 1.00 0.00 H new ATOM 0 HD11 ILE A 26 -8.906 -5.690 -5.505 1.00 0.00 H new ATOM 0 HD12 ILE A 26 -7.248 -6.146 -5.963 1.00 0.00 H new ATOM 0 HD13 ILE A 26 -7.677 -5.961 -4.246 1.00 0.00 H new ATOM 357 N CYS A 27 -3.387 -3.982 -2.854 1.00 0.00 N ATOM 358 CA CYS A 27 -2.168 -3.210 -2.476 1.00 0.00 C ATOM 359 C CYS A 27 -1.507 -2.627 -3.726 1.00 0.00 C ATOM 360 O CYS A 27 -0.991 -3.350 -4.546 1.00 0.00 O ATOM 361 CB CYS A 27 -1.246 -4.223 -1.797 1.00 0.00 C ATOM 362 SG CYS A 27 0.097 -3.343 -0.959 1.00 0.00 S ATOM 0 H CYS A 27 -3.261 -4.991 -2.935 1.00 0.00 H new ATOM 0 HA CYS A 27 -2.397 -2.371 -1.818 1.00 0.00 H new ATOM 0 HB2 CYS A 27 -1.809 -4.820 -1.079 1.00 0.00 H new ATOM 0 HB3 CYS A 27 -0.839 -4.913 -2.536 1.00 0.00 H new ATOM 367 N ALA A 28 -1.536 -1.327 -3.876 1.00 0.00 N ATOM 368 CA ALA A 28 -0.909 -0.692 -5.077 1.00 0.00 C ATOM 369 C ALA A 28 -0.197 0.606 -4.685 1.00 0.00 C ATOM 370 O ALA A 28 -0.614 1.289 -3.763 1.00 0.00 O ATOM 371 CB ALA A 28 -2.074 -0.399 -6.019 1.00 0.00 C ATOM 0 H ALA A 28 -1.967 -0.677 -3.219 1.00 0.00 H new ATOM 0 HA ALA A 28 -0.159 -1.335 -5.538 1.00 0.00 H new ATOM 0 HB1 ALA A 28 -1.698 0.070 -6.928 1.00 0.00 H new ATOM 0 HB2 ALA A 28 -2.579 -1.331 -6.273 1.00 0.00 H new ATOM 0 HB3 ALA A 28 -2.778 0.274 -5.529 1.00 0.00 H new HETATM 377 N HYP A 29 0.857 0.907 -5.404 1.00 0.00 N HETATM 378 CA HYP A 29 1.626 2.140 -5.130 1.00 0.00 C HETATM 379 C HYP A 29 0.881 3.371 -5.668 1.00 0.00 C HETATM 380 O HYP A 29 0.583 3.465 -6.846 1.00 0.00 O HETATM 381 CB HYP A 29 2.936 1.922 -5.882 1.00 0.00 C HETATM 382 CG HYP A 29 2.611 0.961 -6.987 1.00 0.00 C HETATM 383 CD HYP A 29 1.428 0.139 -6.525 1.00 0.00 C HETATM 384 OD1 HYP A 29 2.314 1.651 -8.208 1.00 0.00 O HETATM 0 HD23 HYP A 29 1.737 -0.857 -6.207 1.00 0.00 H new HETATM 0 HD22 HYP A 29 0.701 0.006 -7.326 1.00 0.00 H new HETATM 0 HG HYP A 29 3.467 0.320 -7.198 1.00 0.00 H new HETATM 0 HD1 HYP A 29 1.689 2.384 -8.026 1.00 0.00 H new HETATM 0 HB3 HYP A 29 3.321 2.861 -6.280 1.00 0.00 H new HETATM 0 HB2 HYP A 29 3.704 1.517 -5.223 1.00 0.00 H new HETATM 0 HA HYP A 29 1.778 2.321 -4.066 1.00 0.00 H new ATOM 392 N SER A 30 0.583 4.313 -4.816 1.00 0.00 N ATOM 393 CA SER A 30 -0.136 5.543 -5.272 1.00 0.00 C ATOM 394 C SER A 30 0.853 6.712 -5.383 1.00 0.00 C ATOM 395 O SER A 30 2.001 6.602 -4.990 1.00 0.00 O ATOM 396 CB SER A 30 -1.203 5.825 -4.204 1.00 0.00 C ATOM 397 OG SER A 30 -0.755 5.348 -2.936 1.00 0.00 O ATOM 0 H SER A 30 0.806 4.287 -3.821 1.00 0.00 H new ATOM 0 HA SER A 30 -0.591 5.413 -6.254 1.00 0.00 H new ATOM 0 HB2 SER A 30 -1.403 6.895 -4.150 1.00 0.00 H new ATOM 0 HB3 SER A 30 -2.140 5.339 -4.475 1.00 0.00 H new ATOM 0 HG SER A 30 -1.138 5.902 -2.224 1.00 0.00 H new ATOM 403 N THR A 31 0.421 7.823 -5.918 1.00 0.00 N ATOM 404 CA THR A 31 1.333 8.999 -6.064 1.00 0.00 C ATOM 405 C THR A 31 1.523 9.692 -4.704 1.00 0.00 C ATOM 406 O THR A 31 1.106 10.821 -4.503 1.00 0.00 O ATOM 407 CB THR A 31 0.638 9.933 -7.072 1.00 0.00 C ATOM 408 OG1 THR A 31 -0.221 9.182 -7.926 1.00 0.00 O ATOM 409 CG2 THR A 31 1.693 10.644 -7.919 1.00 0.00 C ATOM 0 H THR A 31 -0.528 7.969 -6.262 1.00 0.00 H new ATOM 0 HA THR A 31 2.326 8.712 -6.411 1.00 0.00 H new ATOM 0 HB THR A 31 0.046 10.667 -6.524 1.00 0.00 H new ATOM 0 HG1 THR A 31 -0.659 9.785 -8.562 1.00 0.00 H new ATOM 0 HG21 THR A 31 1.202 11.305 -8.633 1.00 0.00 H new ATOM 0 HG22 THR A 31 2.345 11.230 -7.271 1.00 0.00 H new ATOM 0 HG23 THR A 31 2.286 9.905 -8.458 1.00 0.00 H new ATOM 417 N ASN A 32 2.154 9.022 -3.772 1.00 0.00 N ATOM 418 CA ASN A 32 2.386 9.626 -2.424 1.00 0.00 C ATOM 419 C ASN A 32 3.694 9.092 -1.829 1.00 0.00 C ATOM 420 O ASN A 32 4.318 8.199 -2.375 1.00 0.00 O ATOM 421 CB ASN A 32 1.186 9.196 -1.572 1.00 0.00 C ATOM 422 CG ASN A 32 0.968 10.223 -0.458 1.00 0.00 C ATOM 423 OD1 ASN A 32 1.853 10.462 0.344 1.00 0.00 O ATOM 424 ND2 ASN A 32 -0.173 10.845 -0.372 1.00 0.00 N ATOM 0 H ASN A 32 2.520 8.077 -3.888 1.00 0.00 H new ATOM 0 HA ASN A 32 2.475 10.711 -2.468 1.00 0.00 H new ATOM 0 HB2 ASN A 32 0.293 9.119 -2.192 1.00 0.00 H new ATOM 0 HB3 ASN A 32 1.363 8.209 -1.144 1.00 0.00 H new ATOM 0 HD21 ASN A 32 -0.325 11.532 0.367 1.00 0.00 H new ATOM 0 HD22 ASN A 32 -0.915 10.645 -1.043 1.00 0.00 H new ATOM 431 N TRP A 33 4.121 9.638 -0.721 1.00 0.00 N ATOM 432 CA TRP A 33 5.401 9.175 -0.093 1.00 0.00 C ATOM 433 C TRP A 33 5.226 8.984 1.413 1.00 0.00 C ATOM 434 O TRP A 33 5.532 7.938 1.957 1.00 0.00 O ATOM 435 CB TRP A 33 6.448 10.290 -0.334 1.00 0.00 C ATOM 436 CG TRP A 33 5.929 11.330 -1.282 1.00 0.00 C ATOM 437 CD1 TRP A 33 5.329 12.483 -0.918 1.00 0.00 C ATOM 438 CD2 TRP A 33 5.956 11.321 -2.734 1.00 0.00 C ATOM 439 NE1 TRP A 33 4.981 13.183 -2.061 1.00 0.00 N ATOM 440 CE2 TRP A 33 5.348 12.506 -3.205 1.00 0.00 C ATOM 441 CE3 TRP A 33 6.438 10.402 -3.678 1.00 0.00 C ATOM 442 CZ2 TRP A 33 5.235 12.778 -4.567 1.00 0.00 C ATOM 443 CZ3 TRP A 33 6.325 10.668 -5.048 1.00 0.00 C ATOM 444 CH2 TRP A 33 5.721 11.852 -5.495 1.00 0.00 C ATOM 0 H TRP A 33 3.640 10.386 -0.221 1.00 0.00 H new ATOM 0 HA TRP A 33 5.709 8.223 -0.526 1.00 0.00 H new ATOM 0 HB2 TRP A 33 6.709 10.758 0.615 1.00 0.00 H new ATOM 0 HB3 TRP A 33 7.362 9.853 -0.736 1.00 0.00 H new ATOM 0 HD1 TRP A 33 5.150 12.806 0.097 1.00 0.00 H new ATOM 0 HE1 TRP A 33 4.511 14.088 -2.057 1.00 0.00 H new ATOM 0 HE3 TRP A 33 6.899 9.484 -3.346 1.00 0.00 H new ATOM 0 HZ2 TRP A 33 4.776 13.696 -4.903 1.00 0.00 H new ATOM 0 HZ3 TRP A 33 6.706 9.956 -5.766 1.00 0.00 H new ATOM 0 HH2 TRP A 33 5.631 12.048 -6.553 1.00 0.00 H new ATOM 455 N ILE A 34 4.772 10.004 2.094 1.00 0.00 N ATOM 456 CA ILE A 34 4.621 9.910 3.577 1.00 0.00 C ATOM 457 C ILE A 34 3.294 10.531 4.058 1.00 0.00 C ATOM 458 O ILE A 34 3.182 10.966 5.193 1.00 0.00 O ATOM 459 CB ILE A 34 5.817 10.701 4.115 1.00 0.00 C ATOM 460 CG1 ILE A 34 5.731 12.159 3.633 1.00 0.00 C ATOM 461 CG2 ILE A 34 7.125 10.070 3.618 1.00 0.00 C ATOM 462 CD1 ILE A 34 7.058 12.865 3.894 1.00 0.00 C ATOM 0 H ILE A 34 4.499 10.899 1.687 1.00 0.00 H new ATOM 0 HA ILE A 34 4.598 8.877 3.924 1.00 0.00 H new ATOM 0 HB ILE A 34 5.800 10.679 5.205 1.00 0.00 H new ATOM 0 HG12 ILE A 34 5.496 12.187 2.569 1.00 0.00 H new ATOM 0 HG13 ILE A 34 4.924 12.677 4.152 1.00 0.00 H new ATOM 0 HG21 ILE A 34 7.972 10.637 4.004 1.00 0.00 H new ATOM 0 HG22 ILE A 34 7.188 9.040 3.968 1.00 0.00 H new ATOM 0 HG23 ILE A 34 7.145 10.085 2.528 1.00 0.00 H new ATOM 0 HD11 ILE A 34 6.994 13.898 3.551 1.00 0.00 H new ATOM 0 HD12 ILE A 34 7.274 12.850 4.962 1.00 0.00 H new ATOM 0 HD13 ILE A 34 7.855 12.353 3.355 1.00 0.00 H new ATOM 474 N LEU A 35 2.290 10.573 3.217 1.00 0.00 N ATOM 475 CA LEU A 35 0.979 11.162 3.635 1.00 0.00 C ATOM 476 C LEU A 35 -0.126 10.101 3.530 1.00 0.00 C ATOM 477 O LEU A 35 -0.438 9.642 2.446 1.00 0.00 O ATOM 478 CB LEU A 35 0.725 12.316 2.661 1.00 0.00 C ATOM 479 CG LEU A 35 0.837 13.648 3.411 1.00 0.00 C ATOM 480 CD1 LEU A 35 1.587 14.663 2.549 1.00 0.00 C ATOM 481 CD2 LEU A 35 -0.564 14.184 3.723 1.00 0.00 C ATOM 0 H LEU A 35 2.321 10.225 2.259 1.00 0.00 H new ATOM 0 HA LEU A 35 0.989 11.509 4.668 1.00 0.00 H new ATOM 0 HB2 LEU A 35 1.447 12.283 1.845 1.00 0.00 H new ATOM 0 HB3 LEU A 35 -0.265 12.219 2.215 1.00 0.00 H new ATOM 0 HG LEU A 35 1.381 13.489 4.342 1.00 0.00 H new ATOM 0 HD11 LEU A 35 1.665 15.609 3.085 1.00 0.00 H new ATOM 0 HD12 LEU A 35 2.586 14.287 2.330 1.00 0.00 H new ATOM 0 HD13 LEU A 35 1.046 14.818 1.616 1.00 0.00 H new ATOM 0 HD21 LEU A 35 -0.481 15.131 4.256 1.00 0.00 H new ATOM 0 HD22 LEU A 35 -1.110 14.338 2.792 1.00 0.00 H new ATOM 0 HD23 LEU A 35 -1.099 13.464 4.343 1.00 0.00 H new ATOM 493 N PRO A 36 -0.689 9.746 4.665 1.00 0.00 N ATOM 494 CA PRO A 36 -1.769 8.725 4.694 1.00 0.00 C ATOM 495 C PRO A 36 -3.078 9.293 4.112 1.00 0.00 C ATOM 496 O PRO A 36 -4.061 9.455 4.817 1.00 0.00 O ATOM 497 CB PRO A 36 -1.919 8.404 6.182 1.00 0.00 C ATOM 498 CG PRO A 36 -1.413 9.618 6.896 1.00 0.00 C ATOM 499 CD PRO A 36 -0.376 10.255 6.007 1.00 0.00 C ATOM 0 HA PRO A 36 -1.539 7.844 4.094 1.00 0.00 H new ATOM 0 HB2 PRO A 36 -2.959 8.201 6.438 1.00 0.00 H new ATOM 0 HB3 PRO A 36 -1.344 7.519 6.454 1.00 0.00 H new ATOM 0 HG2 PRO A 36 -2.227 10.314 7.097 1.00 0.00 H new ATOM 0 HG3 PRO A 36 -0.980 9.346 7.859 1.00 0.00 H new ATOM 0 HD2 PRO A 36 -0.434 11.343 6.044 1.00 0.00 H new ATOM 0 HD3 PRO A 36 0.633 9.979 6.312 1.00 0.00 H new ATOM 507 N GLY A 37 -3.099 9.584 2.840 1.00 0.00 N ATOM 508 CA GLY A 37 -4.337 10.132 2.206 1.00 0.00 C ATOM 509 C GLY A 37 -4.970 9.051 1.329 1.00 0.00 C ATOM 510 O GLY A 37 -5.129 9.226 0.137 1.00 0.00 O ATOM 0 H GLY A 37 -2.308 9.466 2.207 1.00 0.00 H new ATOM 0 HA2 GLY A 37 -5.041 10.454 2.973 1.00 0.00 H new ATOM 0 HA3 GLY A 37 -4.096 11.009 1.606 1.00 0.00 H new ATOM 514 N CYS A 38 -5.326 7.936 1.908 1.00 0.00 N ATOM 515 CA CYS A 38 -5.949 6.838 1.112 1.00 0.00 C ATOM 516 C CYS A 38 -7.288 6.427 1.730 1.00 0.00 C ATOM 517 O CYS A 38 -7.350 6.312 2.945 1.00 0.00 O ATOM 518 CB CYS A 38 -4.958 5.675 1.181 1.00 0.00 C ATOM 519 SG CYS A 38 -4.211 5.405 -0.450 1.00 0.00 S ATOM 520 OXT CYS A 38 -8.227 6.237 0.982 1.00 0.00 O ATOM 0 H CYS A 38 -5.212 7.737 2.902 1.00 0.00 H new ATOM 0 HA CYS A 38 -6.148 7.144 0.085 1.00 0.00 H new ATOM 0 HB2 CYS A 38 -4.182 5.890 1.915 1.00 0.00 H new ATOM 0 HB3 CYS A 38 -5.468 4.770 1.512 1.00 0.00 H new TER 525 CYS A 38