USER MOD reduce.3.24.130724 H: found=0, std=0, add=142, rem=0, adj=7 USER MOD reduce.3.24.130724 removed 142 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 CYS N :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 1 CYS SG : rot -25:sc= -2.54! USER MOD Single : A 2 CYS SG : rot 180:sc= -0.161 USER MOD Single : A 7 SER OG : rot 26:sc= -4.18! USER MOD Single : A 14 ASN : amide:sc= -1.16 K(o=-1.2,f=-5.5!) USER MOD Single : A 16 TYR OH : rot 180:sc= 0 USER MOD Single : A 17 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 18 CYS SG : rot 175:sc= -7.99! USER MOD Single : A 20 LYS NZ :NH3+ 161:sc= -0.0675 (180deg=-0.508) USER MOD Single : A 27 CYS SG : rot 180:sc= 0 USER MOD ----------------------------------------------------------------- ATOM 1 N CYS A 1 13.871 -6.617 2.572 1.00 0.00 N ATOM 2 CA CYS A 1 15.288 -6.417 2.158 1.00 0.00 C ATOM 3 C CYS A 1 15.335 -6.021 0.692 1.00 0.00 C ATOM 4 O CYS A 1 15.636 -6.840 -0.177 1.00 0.00 O ATOM 5 CB CYS A 1 16.061 -7.714 2.362 1.00 0.00 C ATOM 6 SG CYS A 1 17.671 -7.358 3.099 1.00 0.00 S ATOM 0 H1 CYS A 1 13.837 -6.888 3.575 1.00 0.00 H new ATOM 0 H2 CYS A 1 13.341 -5.733 2.434 1.00 0.00 H new ATOM 0 H3 CYS A 1 13.444 -7.370 1.996 1.00 0.00 H new ATOM 0 HA CYS A 1 15.738 -5.628 2.760 1.00 0.00 H new ATOM 0 HB2 CYS A 1 15.496 -8.387 3.007 1.00 0.00 H new ATOM 0 HB3 CYS A 1 16.193 -8.224 1.407 1.00 0.00 H new ATOM 0 HG CYS A 1 18.019 -6.139 2.812 1.00 0.00 H new ATOM 13 N CYS A 2 15.042 -4.761 0.426 1.00 0.00 N ATOM 14 CA CYS A 2 15.058 -4.262 -0.943 1.00 0.00 C ATOM 15 C CYS A 2 16.452 -4.431 -1.535 1.00 0.00 C ATOM 16 O CYS A 2 16.610 -4.912 -2.657 1.00 0.00 O ATOM 17 CB CYS A 2 14.664 -2.785 -0.970 1.00 0.00 C ATOM 18 SG CYS A 2 12.860 -2.639 -1.010 1.00 0.00 S ATOM 0 H CYS A 2 14.792 -4.067 1.131 1.00 0.00 H new ATOM 0 HA CYS A 2 14.341 -4.831 -1.535 1.00 0.00 H new ATOM 0 HB2 CYS A 2 15.061 -2.276 -0.092 1.00 0.00 H new ATOM 0 HB3 CYS A 2 15.098 -2.298 -1.843 1.00 0.00 H new ATOM 0 HG CYS A 2 12.527 -1.383 -1.031 1.00 0.00 H new ATOM 23 N ILE A 3 17.461 -4.048 -0.761 1.00 0.00 N ATOM 24 CA ILE A 3 18.843 -4.176 -1.200 1.00 0.00 C ATOM 25 C ILE A 3 19.484 -5.402 -0.565 1.00 0.00 C ATOM 26 O ILE A 3 20.222 -6.140 -1.219 1.00 0.00 O ATOM 27 CB ILE A 3 19.637 -2.922 -0.828 1.00 0.00 C ATOM 28 CG1 ILE A 3 19.100 -1.730 -1.622 1.00 0.00 C ATOM 29 CG2 ILE A 3 21.113 -3.133 -1.161 1.00 0.00 C ATOM 30 CD1 ILE A 3 19.720 -0.438 -1.086 1.00 0.00 C ATOM 0 H ILE A 3 17.347 -3.648 0.170 1.00 0.00 H new ATOM 0 HA ILE A 3 18.854 -4.291 -2.284 1.00 0.00 H new ATOM 0 HB ILE A 3 19.532 -2.728 0.239 1.00 0.00 H new ATOM 0 HG12 ILE A 3 19.336 -1.848 -2.680 1.00 0.00 H new ATOM 0 HG13 ILE A 3 18.014 -1.685 -1.541 1.00 0.00 H new ATOM 0 HG21 ILE A 3 21.677 -2.239 -0.896 1.00 0.00 H new ATOM 0 HG22 ILE A 3 21.495 -3.984 -0.597 1.00 0.00 H new ATOM 0 HG23 ILE A 3 21.221 -3.327 -2.228 1.00 0.00 H new ATOM 0 HD11 ILE A 3 19.337 0.411 -1.652 1.00 0.00 H new ATOM 0 HD12 ILE A 3 19.461 -0.319 -0.034 1.00 0.00 H new ATOM 0 HD13 ILE A 3 20.804 -0.484 -1.190 1.00 0.00 H new ATOM 54 N GLY A 5 19.571 -5.527 3.513 1.00 0.00 N ATOM 55 CA GLY A 5 20.022 -5.062 4.818 1.00 0.00 C ATOM 56 C GLY A 5 21.088 -3.982 4.679 1.00 0.00 C ATOM 57 O GLY A 5 21.881 -3.758 5.593 1.00 0.00 O ATOM 0 HA2 GLY A 5 19.174 -4.670 5.380 1.00 0.00 H new ATOM 0 HA3 GLY A 5 20.422 -5.901 5.388 1.00 0.00 H new ATOM 61 N GLU A 6 21.101 -3.313 3.532 1.00 0.00 N ATOM 62 CA GLU A 6 22.072 -2.258 3.288 1.00 0.00 C ATOM 63 C GLU A 6 21.362 -0.922 3.119 1.00 0.00 C ATOM 64 O GLU A 6 22.003 0.120 2.983 1.00 0.00 O ATOM 65 CB GLU A 6 22.887 -2.575 2.033 1.00 0.00 C ATOM 66 CG GLU A 6 23.751 -3.812 2.286 1.00 0.00 C ATOM 67 CD GLU A 6 24.757 -3.525 3.398 1.00 0.00 C ATOM 68 OE1 GLU A 6 25.450 -2.526 3.298 1.00 0.00 O ATOM 69 OE2 GLU A 6 24.816 -4.307 4.332 1.00 0.00 O1- ATOM 0 H GLU A 6 20.454 -3.482 2.762 1.00 0.00 H new ATOM 0 HA GLU A 6 22.745 -2.196 4.143 1.00 0.00 H new ATOM 0 HB2 GLU A 6 22.221 -2.750 1.188 1.00 0.00 H new ATOM 0 HB3 GLU A 6 23.517 -1.725 1.771 1.00 0.00 H new ATOM 0 HG2 GLU A 6 23.120 -4.656 2.564 1.00 0.00 H new ATOM 0 HG3 GLU A 6 24.276 -4.093 1.373 1.00 0.00 H new ATOM 76 N SER A 7 20.034 -0.962 3.125 1.00 0.00 N ATOM 77 CA SER A 7 19.249 0.252 2.969 1.00 0.00 C ATOM 78 C SER A 7 18.006 0.214 3.853 1.00 0.00 C ATOM 79 O SER A 7 17.636 -0.836 4.380 1.00 0.00 O ATOM 80 CB SER A 7 18.833 0.416 1.507 1.00 0.00 C ATOM 81 OG SER A 7 19.802 1.207 0.832 1.00 0.00 O ATOM 0 H SER A 7 19.485 -1.814 3.235 1.00 0.00 H new ATOM 0 HA SER A 7 19.864 1.099 3.272 1.00 0.00 H new ATOM 0 HB2 SER A 7 18.746 -0.560 1.029 1.00 0.00 H new ATOM 0 HB3 SER A 7 17.853 0.889 1.446 1.00 0.00 H new ATOM 0 HG SER A 7 20.665 1.127 1.289 1.00 0.00 H new ATOM 87 N PRO A 8 17.363 1.337 4.018 1.00 0.00 N ATOM 88 CA PRO A 8 16.130 1.452 4.853 1.00 0.00 C ATOM 89 C PRO A 8 14.973 0.644 4.269 1.00 0.00 C ATOM 90 O PRO A 8 14.032 0.284 4.978 1.00 0.00 O ATOM 91 CB PRO A 8 15.811 2.951 4.843 1.00 0.00 C ATOM 92 CG PRO A 8 16.508 3.501 3.644 1.00 0.00 C ATOM 93 CD PRO A 8 17.742 2.627 3.425 1.00 0.00 C ATOM 0 HA PRO A 8 16.279 1.058 5.858 1.00 0.00 H new ATOM 0 HB2 PRO A 8 14.736 3.123 4.785 1.00 0.00 H new ATOM 0 HB3 PRO A 8 16.162 3.433 5.756 1.00 0.00 H new ATOM 0 HG2 PRO A 8 15.856 3.478 2.771 1.00 0.00 H new ATOM 0 HG3 PRO A 8 16.792 4.541 3.803 1.00 0.00 H new ATOM 0 HD2 PRO A 8 17.979 2.527 2.366 1.00 0.00 H new ATOM 0 HD3 PRO A 8 18.622 3.048 3.910 1.00 0.00 H new ATOM 101 N GLY A 9 15.053 0.363 2.974 1.00 0.00 N ATOM 102 CA GLY A 9 14.009 -0.403 2.303 1.00 0.00 C ATOM 103 C GLY A 9 13.889 0.006 0.841 1.00 0.00 C ATOM 104 O GLY A 9 14.827 0.561 0.266 1.00 0.00 O ATOM 0 H GLY A 9 15.824 0.651 2.371 1.00 0.00 H new ATOM 0 HA2 GLY A 9 14.234 -1.467 2.370 1.00 0.00 H new ATOM 0 HA3 GLY A 9 13.056 -0.246 2.808 1.00 0.00 H new ATOM 117 N ALA A 11 13.143 2.407 -1.022 1.00 0.00 N ATOM 118 CA ALA A 11 13.938 3.583 -1.348 1.00 0.00 C ATOM 119 C ALA A 11 14.572 3.436 -2.726 1.00 0.00 C ATOM 120 O ALA A 11 15.781 3.242 -2.848 1.00 0.00 O ATOM 121 CB ALA A 11 15.030 3.778 -0.296 1.00 0.00 C ATOM 0 HA ALA A 11 13.282 4.454 -1.357 1.00 0.00 H new ATOM 0 HB1 ALA A 11 15.622 4.659 -0.545 1.00 0.00 H new ATOM 0 HB2 ALA A 11 14.572 3.914 0.684 1.00 0.00 H new ATOM 0 HB3 ALA A 11 15.677 2.901 -0.276 1.00 0.00 H new ATOM 127 N PRO A 12 13.775 3.522 -3.755 1.00 0.00 N ATOM 128 CA PRO A 12 14.256 3.394 -5.162 1.00 0.00 C ATOM 129 C PRO A 12 15.353 4.404 -5.479 1.00 0.00 C ATOM 130 O PRO A 12 16.537 4.114 -5.311 1.00 0.00 O ATOM 131 CB PRO A 12 13.007 3.653 -6.017 1.00 0.00 C ATOM 132 CG PRO A 12 11.995 4.256 -5.097 1.00 0.00 C ATOM 133 CD PRO A 12 12.330 3.755 -3.695 1.00 0.00 C ATOM 0 HA PRO A 12 14.699 2.417 -5.352 1.00 0.00 H new ATOM 0 HB2 PRO A 12 13.233 4.327 -6.844 1.00 0.00 H new ATOM 0 HB3 PRO A 12 12.634 2.726 -6.454 1.00 0.00 H new ATOM 0 HG2 PRO A 12 12.033 5.345 -5.139 1.00 0.00 H new ATOM 0 HG3 PRO A 12 10.986 3.961 -5.384 1.00 0.00 H new ATOM 0 HD2 PRO A 12 12.073 4.491 -2.933 1.00 0.00 H new ATOM 0 HD3 PRO A 12 11.785 2.842 -3.453 1.00 0.00 H new ATOM 153 N ASN A 14 16.254 6.532 -3.866 1.00 0.00 N ATOM 154 CA ASN A 14 16.801 6.943 -2.584 1.00 0.00 C ATOM 155 C ASN A 14 17.997 6.077 -2.198 1.00 0.00 C ATOM 156 O ASN A 14 18.632 6.308 -1.170 1.00 0.00 O ATOM 157 CB ASN A 14 15.720 6.831 -1.510 1.00 0.00 C ATOM 158 CG ASN A 14 16.258 7.326 -0.172 1.00 0.00 C ATOM 159 OD1 ASN A 14 17.197 8.122 -0.135 1.00 0.00 O ATOM 160 ND2 ASN A 14 15.715 6.905 0.938 1.00 0.00 N ATOM 0 HA ASN A 14 17.137 7.977 -2.666 1.00 0.00 H new ATOM 0 HB2 ASN A 14 14.847 7.417 -1.799 1.00 0.00 H new ATOM 0 HB3 ASN A 14 15.393 5.795 -1.419 1.00 0.00 H new ATOM 0 HD21 ASN A 14 16.068 7.235 1.836 1.00 0.00 H new ATOM 0 HD22 ASN A 14 14.937 6.246 0.907 1.00 0.00 H new ATOM 167 N ASP A 15 18.300 5.076 -3.024 1.00 0.00 N ATOM 168 CA ASP A 15 19.421 4.184 -2.747 1.00 0.00 C ATOM 169 C ASP A 15 19.953 3.552 -4.031 1.00 0.00 C ATOM 170 O ASP A 15 20.913 4.043 -4.626 1.00 0.00 O ATOM 171 CB ASP A 15 18.979 3.079 -1.785 1.00 0.00 C ATOM 172 CG ASP A 15 18.868 3.630 -0.368 1.00 0.00 C ATOM 173 OD1 ASP A 15 19.540 4.606 -0.077 1.00 0.00 O ATOM 174 OD2 ASP A 15 18.110 3.069 0.405 1.00 0.00 O1- ATOM 0 H ASP A 15 17.790 4.865 -3.882 1.00 0.00 H new ATOM 0 HA ASP A 15 20.218 4.774 -2.295 1.00 0.00 H new ATOM 0 HB2 ASP A 15 18.018 2.673 -2.102 1.00 0.00 H new ATOM 0 HB3 ASP A 15 19.695 2.258 -1.809 1.00 0.00 H new ATOM 179 N TYR A 16 19.326 2.456 -4.446 1.00 0.00 N ATOM 180 CA TYR A 16 19.743 1.753 -5.654 1.00 0.00 C ATOM 181 C TYR A 16 19.434 2.578 -6.898 1.00 0.00 C ATOM 182 O TYR A 16 18.352 3.148 -7.023 1.00 0.00 O ATOM 183 CB TYR A 16 19.029 0.402 -5.741 1.00 0.00 C ATOM 184 CG TYR A 16 19.671 -0.439 -6.819 1.00 0.00 C ATOM 185 CD1 TYR A 16 21.055 -0.656 -6.805 1.00 0.00 C ATOM 186 CD2 TYR A 16 18.885 -1.004 -7.829 1.00 0.00 C ATOM 187 CE1 TYR A 16 21.652 -1.437 -7.803 1.00 0.00 C ATOM 188 CE2 TYR A 16 19.481 -1.785 -8.827 1.00 0.00 C ATOM 189 CZ TYR A 16 20.864 -2.001 -8.813 1.00 0.00 C ATOM 190 OH TYR A 16 21.452 -2.771 -9.796 1.00 0.00 O ATOM 0 H TYR A 16 18.530 2.037 -3.966 1.00 0.00 H new ATOM 0 HA TYR A 16 20.820 1.595 -5.604 1.00 0.00 H new ATOM 0 HB2 TYR A 16 19.084 -0.113 -4.782 1.00 0.00 H new ATOM 0 HB3 TYR A 16 17.972 0.551 -5.962 1.00 0.00 H new ATOM 0 HD1 TYR A 16 21.662 -0.221 -6.025 1.00 0.00 H new ATOM 0 HD2 TYR A 16 17.818 -0.838 -7.839 1.00 0.00 H new ATOM 0 HE1 TYR A 16 22.719 -1.604 -7.793 1.00 0.00 H new ATOM 0 HE2 TYR A 16 18.874 -2.220 -9.607 1.00 0.00 H new ATOM 0 HH TYR A 16 20.765 -3.087 -10.419 1.00 0.00 H new ATOM 200 N LYS A 17 20.396 2.638 -7.813 1.00 0.00 N ATOM 201 CA LYS A 17 20.223 3.394 -9.048 1.00 0.00 C ATOM 202 C LYS A 17 20.179 4.891 -8.768 1.00 0.00 C ATOM 203 O LYS A 17 19.710 5.672 -9.596 1.00 0.00 O ATOM 204 CB LYS A 17 18.935 2.964 -9.755 1.00 0.00 C ATOM 205 CG LYS A 17 19.112 1.549 -10.309 1.00 0.00 C ATOM 206 CD LYS A 17 17.819 1.101 -10.993 1.00 0.00 C ATOM 207 CE LYS A 17 18.003 -0.310 -11.558 1.00 0.00 C ATOM 208 NZ LYS A 17 16.740 -0.751 -12.214 1.00 0.00 N1+ ATOM 0 H LYS A 17 21.300 2.174 -7.723 1.00 0.00 H new ATOM 0 HA LYS A 17 21.076 3.186 -9.694 1.00 0.00 H new ATOM 0 HB2 LYS A 17 18.097 2.992 -9.058 1.00 0.00 H new ATOM 0 HB3 LYS A 17 18.701 3.657 -10.563 1.00 0.00 H new ATOM 0 HG2 LYS A 17 19.938 1.526 -11.020 1.00 0.00 H new ATOM 0 HG3 LYS A 17 19.366 0.861 -9.503 1.00 0.00 H new ATOM 0 HD2 LYS A 17 16.994 1.114 -10.280 1.00 0.00 H new ATOM 0 HD3 LYS A 17 17.559 1.794 -11.793 1.00 0.00 H new ATOM 0 HE2 LYS A 17 18.822 -0.321 -12.277 1.00 0.00 H new ATOM 0 HE3 LYS A 17 18.271 -1.001 -10.759 1.00 0.00 H new ATOM 0 HZ1 LYS A 17 16.865 -1.709 -12.598 1.00 0.00 H new ATOM 0 HZ2 LYS A 17 15.969 -0.755 -11.516 1.00 0.00 H new ATOM 0 HZ3 LYS A 17 16.503 -0.097 -12.987 1.00 0.00 H new ATOM 222 N CYS A 18 20.675 5.288 -7.601 1.00 0.00 N ATOM 223 CA CYS A 18 20.694 6.697 -7.230 1.00 0.00 C ATOM 224 C CYS A 18 21.929 7.010 -6.391 1.00 0.00 C ATOM 225 O CYS A 18 22.432 6.150 -5.667 1.00 0.00 O ATOM 226 CB CYS A 18 19.433 7.053 -6.439 1.00 0.00 C ATOM 227 SG CYS A 18 18.431 5.565 -6.194 1.00 0.00 S ATOM 0 H CYS A 18 21.067 4.658 -6.900 1.00 0.00 H new ATOM 0 HA CYS A 18 20.725 7.292 -8.143 1.00 0.00 H new ATOM 0 HB2 CYS A 18 19.705 7.483 -5.475 1.00 0.00 H new ATOM 0 HB3 CYS A 18 18.857 7.808 -6.974 1.00 0.00 H new ATOM 0 HG CYS A 18 17.421 5.844 -5.424 1.00 0.00 H new ATOM 244 N LYS A 20 22.111 8.141 -3.879 1.00 0.00 N ATOM 245 CA LYS A 20 21.741 8.001 -2.476 1.00 0.00 C ATOM 246 C LYS A 20 22.015 6.582 -1.987 1.00 0.00 C ATOM 247 O LYS A 20 21.873 6.284 -0.801 1.00 0.00 O ATOM 248 CB LYS A 20 20.258 8.333 -2.289 1.00 0.00 C ATOM 249 CG LYS A 20 20.028 9.817 -2.583 1.00 0.00 C ATOM 250 CD LYS A 20 18.546 10.149 -2.396 1.00 0.00 C ATOM 251 CE LYS A 20 18.326 11.646 -2.631 1.00 0.00 C ATOM 252 NZ LYS A 20 18.679 11.984 -4.039 1.00 0.00 N1+ ATOM 0 HA LYS A 20 22.343 8.696 -1.891 1.00 0.00 H new ATOM 0 HB2 LYS A 20 19.650 7.721 -2.955 1.00 0.00 H new ATOM 0 HB3 LYS A 20 19.948 8.100 -1.270 1.00 0.00 H new ATOM 0 HG2 LYS A 20 20.636 10.429 -1.917 1.00 0.00 H new ATOM 0 HG3 LYS A 20 20.338 10.049 -3.602 1.00 0.00 H new ATOM 0 HD2 LYS A 20 17.941 9.568 -3.092 1.00 0.00 H new ATOM 0 HD3 LYS A 20 18.225 9.877 -1.391 1.00 0.00 H new ATOM 0 HE2 LYS A 20 17.287 11.907 -2.432 1.00 0.00 H new ATOM 0 HE3 LYS A 20 18.938 12.227 -1.942 1.00 0.00 H new ATOM 0 HZ1 LYS A 20 18.242 12.891 -4.298 1.00 0.00 H new ATOM 0 HZ2 LYS A 20 19.712 12.059 -4.129 1.00 0.00 H new ATOM 0 HZ3 LYS A 20 18.330 11.238 -4.673 1.00 0.00 H new ATOM 266 N GLY A 21 22.409 5.711 -2.910 1.00 0.00 N ATOM 267 CA GLY A 21 22.700 4.324 -2.561 1.00 0.00 C ATOM 268 C GLY A 21 23.923 4.235 -1.655 1.00 0.00 C ATOM 269 O GLY A 21 25.031 3.957 -2.114 1.00 0.00 O ATOM 0 H GLY A 21 22.534 5.937 -3.897 1.00 0.00 H new ATOM 0 HA2 GLY A 21 21.839 3.883 -2.060 1.00 0.00 H new ATOM 0 HA3 GLY A 21 22.872 3.745 -3.468 1.00 0.00 H new ATOM 273 N ARG A 22 23.711 4.474 -0.365 1.00 0.00 N ATOM 274 CA ARG A 22 24.799 4.418 0.604 1.00 0.00 C ATOM 275 C ARG A 22 25.346 2.999 0.721 1.00 0.00 C ATOM 276 O ARG A 22 26.549 2.801 0.878 1.00 0.00 O ATOM 277 CB ARG A 22 24.302 4.893 1.971 1.00 0.00 C ATOM 278 CG ARG A 22 24.037 6.397 1.922 1.00 0.00 C ATOM 279 CD ARG A 22 23.454 6.859 3.259 1.00 0.00 C ATOM 280 NE ARG A 22 24.423 6.649 4.329 1.00 0.00 N ATOM 281 CZ ARG A 22 25.351 7.560 4.605 1.00 0.00 C ATOM 282 NH1 ARG A 22 25.409 8.664 3.912 1.00 0.00 N1+ ATOM 283 NH2 ARG A 22 26.204 7.348 5.570 1.00 0.00 N ATOM 0 H ARG A 22 22.801 4.707 0.032 1.00 0.00 H new ATOM 0 HA ARG A 22 25.600 5.072 0.260 1.00 0.00 H new ATOM 0 HB2 ARG A 22 23.391 4.361 2.243 1.00 0.00 H new ATOM 0 HB3 ARG A 22 25.043 4.668 2.738 1.00 0.00 H new ATOM 0 HG2 ARG A 22 24.963 6.933 1.713 1.00 0.00 H new ATOM 0 HG3 ARG A 22 23.345 6.628 1.112 1.00 0.00 H new ATOM 0 HD2 ARG A 22 23.186 7.914 3.202 1.00 0.00 H new ATOM 0 HD3 ARG A 22 22.538 6.309 3.474 1.00 0.00 H new ATOM 0 HE ARG A 22 24.388 5.788 4.875 1.00 0.00 H new ATOM 0 HH11 ARG A 22 24.742 8.828 3.158 1.00 0.00 H new ATOM 0 HH12 ARG A 22 26.121 9.363 4.124 1.00 0.00 H new ATOM 0 HH21 ARG A 22 26.158 6.484 6.111 1.00 0.00 H new ATOM 0 HH22 ARG A 22 26.917 8.046 5.783 1.00 0.00 H new ATOM 297 N GLY A 23 24.451 2.017 0.652 1.00 0.00 N ATOM 298 CA GLY A 23 24.849 0.617 0.754 1.00 0.00 C ATOM 299 C GLY A 23 25.951 0.281 -0.247 1.00 0.00 C ATOM 300 O GLY A 23 26.920 1.024 -0.395 1.00 0.00 O ATOM 0 H GLY A 23 23.450 2.164 0.526 1.00 0.00 H new ATOM 0 HA2 GLY A 23 25.197 0.408 1.766 1.00 0.00 H new ATOM 0 HA3 GLY A 23 23.985 -0.023 0.576 1.00 0.00 H new ATOM 304 N PRO A 24 25.818 -0.823 -0.929 1.00 0.00 N ATOM 305 CA PRO A 24 26.823 -1.275 -1.938 1.00 0.00 C ATOM 306 C PRO A 24 27.130 -0.194 -2.972 1.00 0.00 C ATOM 307 O PRO A 24 28.277 -0.023 -3.383 1.00 0.00 O ATOM 308 CB PRO A 24 26.156 -2.484 -2.603 1.00 0.00 C ATOM 309 CG PRO A 24 25.158 -2.984 -1.611 1.00 0.00 C ATOM 310 CD PRO A 24 24.697 -1.767 -0.811 1.00 0.00 C ATOM 0 HA PRO A 24 27.782 -1.509 -1.477 1.00 0.00 H new ATOM 0 HB2 PRO A 24 25.672 -2.201 -3.538 1.00 0.00 H new ATOM 0 HB3 PRO A 24 26.889 -3.254 -2.844 1.00 0.00 H new ATOM 0 HG2 PRO A 24 24.316 -3.460 -2.114 1.00 0.00 H new ATOM 0 HG3 PRO A 24 25.603 -3.733 -0.956 1.00 0.00 H new ATOM 0 HD2 PRO A 24 23.776 -1.347 -1.217 1.00 0.00 H new ATOM 0 HD3 PRO A 24 24.499 -2.024 0.229 1.00 0.00 H new ATOM 318 N GLY A 25 26.097 0.532 -3.389 1.00 0.00 N ATOM 319 CA GLY A 25 26.273 1.592 -4.377 1.00 0.00 C ATOM 320 C GLY A 25 24.991 1.811 -5.174 1.00 0.00 C ATOM 321 O GLY A 25 23.943 2.127 -4.610 1.00 0.00 O ATOM 0 H GLY A 25 25.139 0.408 -3.062 1.00 0.00 H new ATOM 0 HA2 GLY A 25 26.558 2.518 -3.877 1.00 0.00 H new ATOM 0 HA3 GLY A 25 27.087 1.332 -5.054 1.00 0.00 H new ATOM 325 N GLY A 26 25.083 1.642 -6.489 1.00 0.00 N ATOM 326 CA GLY A 26 23.924 1.824 -7.356 1.00 0.00 C ATOM 327 C GLY A 26 23.547 3.299 -7.455 1.00 0.00 C ATOM 328 O GLY A 26 22.466 3.702 -7.030 1.00 0.00 O ATOM 0 H GLY A 26 25.941 1.381 -6.975 1.00 0.00 H new ATOM 0 HA2 GLY A 26 24.143 1.433 -8.350 1.00 0.00 H new ATOM 0 HA3 GLY A 26 23.080 1.254 -6.967 1.00 0.00 H new ATOM 332 N CYS A 27 24.448 4.099 -8.018 1.00 0.00 N ATOM 333 CA CYS A 27 24.199 5.526 -8.166 1.00 0.00 C ATOM 334 C CYS A 27 23.373 5.799 -9.417 1.00 0.00 C ATOM 335 O CYS A 27 23.538 5.141 -10.441 1.00 0.00 O ATOM 336 CB CYS A 27 25.521 6.290 -8.244 1.00 0.00 C ATOM 337 SG CYS A 27 25.229 8.029 -7.833 1.00 0.00 S ATOM 0 H CYS A 27 25.350 3.785 -8.376 1.00 0.00 H new ATOM 0 HA CYS A 27 23.640 5.867 -7.294 1.00 0.00 H new ATOM 0 HB2 CYS A 27 26.246 5.858 -7.554 1.00 0.00 H new ATOM 0 HB3 CYS A 27 25.944 6.207 -9.245 1.00 0.00 H new ATOM 0 HG CYS A 27 26.350 8.684 -7.895 1.00 0.00 H new