USER MOD reduce.3.24.130724 H: found=0, std=0, add=253, rem=0, adj=7 USER MOD reduce.3.24.130724 removed 250 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 ALA N :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 3 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 10 THR OG1 : rot 180:sc= -0.726 USER MOD Single : A 13 HIS : no HD1:sc= 0 X(o=0,f=0) USER MOD Single : A 15 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 16 SER OG : rot -86:sc= -0.817 USER MOD Single : A 19 ASN : amide:sc= -0.0705 K(o=-0.071,f=-0.64) USER MOD Single : A 21 SER OG : rot 180:sc= 0 USER MOD Single : A 22 SER OG : rot 180:sc= 0 USER MOD Single : A 24 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 25 TYR OH : rot 180:sc= 0 USER MOD Single : A 26 LYS NZ :NH3+ -125:sc= 0.0259 (180deg=0) USER MOD Single : A 28 ASN : amide:sc= -2.34 K(o=-2.3,f=-3!) USER MOD Single : A 32 THR OG1 : rot 120:sc= 1.42 USER MOD ----------------------------------------------------------------- ATOM 1 N ALA A 1 1.374 2.180 -3.484 1.00 1.03 N ATOM 2 CA ALA A 1 2.746 1.833 -3.135 1.00 2.44 C ATOM 3 C ALA A 1 2.848 0.379 -2.687 1.00 0.35 C ATOM 4 O ALA A 1 2.636 0.063 -1.515 1.00 53.44 O ATOM 5 CB ALA A 1 3.264 2.761 -2.045 1.00 71.12 C ATOM 0 H1 ALA A 1 1.333 3.175 -3.785 1.00 1.03 H new ATOM 0 H2 ALA A 1 1.048 1.570 -4.260 1.00 1.03 H new ATOM 0 H3 ALA A 1 0.760 2.044 -2.656 1.00 1.03 H new ATOM 0 HA ALA A 1 3.363 1.955 -4.025 1.00 2.44 H new ATOM 0 HB1 ALA A 1 4.290 2.491 -1.794 1.00 71.12 H new ATOM 0 HB2 ALA A 1 3.237 3.791 -2.401 1.00 71.12 H new ATOM 0 HB3 ALA A 1 2.637 2.667 -1.159 1.00 71.12 H new ATOM 11 N CYS A 2 3.173 -0.503 -3.626 1.00 5.25 N ATOM 12 CA CYS A 2 3.302 -1.924 -3.328 1.00 64.23 C ATOM 13 C CYS A 2 4.598 -2.485 -3.906 1.00 64.44 C ATOM 14 O CYS A 2 5.056 -2.056 -4.966 1.00 21.41 O ATOM 15 CB CYS A 2 2.105 -2.695 -3.889 1.00 44.51 C ATOM 16 SG CYS A 2 2.064 -2.783 -5.708 1.00 50.21 S ATOM 0 H CYS A 2 3.352 -0.258 -4.600 1.00 5.25 H new ATOM 0 HA CYS A 2 3.326 -2.042 -2.245 1.00 64.23 H new ATOM 0 HB2 CYS A 2 2.118 -3.708 -3.487 1.00 44.51 H new ATOM 0 HB3 CYS A 2 1.187 -2.225 -3.538 1.00 44.51 H new ATOM 21 N LYS A 3 5.186 -3.448 -3.203 1.00 55.40 N ATOM 22 CA LYS A 3 6.428 -4.070 -3.645 1.00 72.01 C ATOM 23 C LYS A 3 6.627 -5.425 -2.973 1.00 52.21 C ATOM 24 O LYS A 3 6.288 -5.604 -1.803 1.00 54.32 O ATOM 25 CB LYS A 3 7.617 -3.157 -3.338 1.00 60.05 C ATOM 26 CG LYS A 3 7.746 -2.799 -1.868 1.00 54.10 C ATOM 27 CD LYS A 3 8.655 -3.771 -1.135 1.00 1.41 C ATOM 28 CE LYS A 3 9.387 -3.092 0.013 1.00 54.52 C ATOM 29 NZ LYS A 3 8.500 -2.887 1.192 1.00 63.11 N ATOM 0 H LYS A 3 4.821 -3.815 -2.324 1.00 55.40 H new ATOM 0 HA LYS A 3 6.365 -4.224 -4.722 1.00 72.01 H new ATOM 0 HB2 LYS A 3 8.534 -3.646 -3.666 1.00 60.05 H new ATOM 0 HB3 LYS A 3 7.520 -2.240 -3.919 1.00 60.05 H new ATOM 0 HG2 LYS A 3 8.141 -1.788 -1.772 1.00 54.10 H new ATOM 0 HG3 LYS A 3 6.760 -2.801 -1.404 1.00 54.10 H new ATOM 0 HD2 LYS A 3 8.065 -4.603 -0.750 1.00 1.41 H new ATOM 0 HD3 LYS A 3 9.380 -4.190 -1.833 1.00 1.41 H new ATOM 0 HE2 LYS A 3 10.245 -3.697 0.305 1.00 54.52 H new ATOM 0 HE3 LYS A 3 9.774 -2.130 -0.322 1.00 54.52 H new ATOM 0 HZ1 LYS A 3 9.036 -2.422 1.953 1.00 63.11 H new ATOM 0 HZ2 LYS A 3 7.694 -2.289 0.920 1.00 63.11 H new ATOM 0 HZ3 LYS A 3 8.150 -3.807 1.528 1.00 63.11 H new ATOM 43 N ASP A 4 7.179 -6.375 -3.719 1.00 45.33 N ATOM 44 CA ASP A 4 7.426 -7.713 -3.195 1.00 2.35 C ATOM 45 C ASP A 4 8.192 -7.647 -1.877 1.00 1.01 C ATOM 46 O ASP A 4 9.354 -7.243 -1.842 1.00 3.42 O ATOM 47 CB ASP A 4 8.207 -8.547 -4.212 1.00 11.35 C ATOM 48 CG ASP A 4 9.276 -7.741 -4.922 1.00 42.44 C ATOM 49 OD1 ASP A 4 10.467 -7.907 -4.585 1.00 33.12 O ATOM 50 OD2 ASP A 4 8.922 -6.943 -5.816 1.00 4.53 O ATOM 0 H ASP A 4 7.464 -6.243 -4.689 1.00 45.33 H new ATOM 0 HA ASP A 4 6.462 -8.188 -3.012 1.00 2.35 H new ATOM 0 HB2 ASP A 4 8.671 -9.393 -3.704 1.00 11.35 H new ATOM 0 HB3 ASP A 4 7.516 -8.957 -4.949 1.00 11.35 H new ATOM 55 N VAL A 5 7.532 -8.046 -0.794 1.00 64.42 N ATOM 56 CA VAL A 5 8.151 -8.033 0.526 1.00 12.12 C ATOM 57 C VAL A 5 9.089 -9.221 0.705 1.00 4.25 C ATOM 58 O VAL A 5 10.278 -9.051 0.977 1.00 63.01 O ATOM 59 CB VAL A 5 7.090 -8.057 1.643 1.00 63.51 C ATOM 60 CG1 VAL A 5 7.728 -7.763 2.992 1.00 64.40 C ATOM 61 CG2 VAL A 5 5.978 -7.065 1.342 1.00 13.43 C ATOM 0 H VAL A 5 6.569 -8.382 -0.805 1.00 64.42 H new ATOM 0 HA VAL A 5 8.724 -7.108 0.598 1.00 12.12 H new ATOM 0 HB VAL A 5 6.654 -9.055 1.685 1.00 63.51 H new ATOM 0 HG11 VAL A 5 6.963 -7.784 3.768 1.00 64.40 H new ATOM 0 HG12 VAL A 5 8.486 -8.516 3.208 1.00 64.40 H new ATOM 0 HG13 VAL A 5 8.193 -6.777 2.968 1.00 64.40 H new ATOM 0 HG21 VAL A 5 5.237 -7.095 2.141 1.00 13.43 H new ATOM 0 HG22 VAL A 5 6.396 -6.061 1.272 1.00 13.43 H new ATOM 0 HG23 VAL A 5 5.503 -7.327 0.397 1.00 13.43 H new ATOM 71 N PHE A 6 8.548 -10.424 0.552 1.00 73.45 N ATOM 72 CA PHE A 6 9.337 -11.642 0.697 1.00 74.21 C ATOM 73 C PHE A 6 10.545 -11.622 -0.234 1.00 43.43 C ATOM 74 O PHE A 6 10.596 -10.872 -1.210 1.00 24.40 O ATOM 75 CB PHE A 6 8.474 -12.872 0.404 1.00 3.24 C ATOM 76 CG PHE A 6 7.735 -13.385 1.607 1.00 71.22 C ATOM 77 CD1 PHE A 6 8.048 -14.619 2.154 1.00 13.03 C ATOM 78 CD2 PHE A 6 6.727 -12.634 2.189 1.00 33.24 C ATOM 79 CE1 PHE A 6 7.370 -15.094 3.261 1.00 74.30 C ATOM 80 CE2 PHE A 6 6.046 -13.104 3.296 1.00 35.03 C ATOM 81 CZ PHE A 6 6.366 -14.336 3.832 1.00 24.00 C ATOM 0 H PHE A 6 7.566 -10.582 0.327 1.00 73.45 H new ATOM 0 HA PHE A 6 9.694 -11.693 1.726 1.00 74.21 H new ATOM 0 HB2 PHE A 6 7.754 -12.624 -0.376 1.00 3.24 H new ATOM 0 HB3 PHE A 6 9.109 -13.666 0.011 1.00 3.24 H new ATOM 0 HD1 PHE A 6 8.831 -15.217 1.710 1.00 13.03 H new ATOM 0 HD2 PHE A 6 6.470 -11.671 1.773 1.00 33.24 H new ATOM 0 HE1 PHE A 6 7.625 -16.057 3.679 1.00 74.30 H new ATOM 0 HE2 PHE A 6 5.264 -12.508 3.742 1.00 35.03 H new ATOM 0 HZ PHE A 6 5.833 -14.706 4.695 1.00 24.00 H new ATOM 91 N PRO A 7 11.543 -12.464 0.073 1.00 11.33 N ATOM 92 CA PRO A 7 12.770 -12.562 -0.723 1.00 11.22 C ATOM 93 C PRO A 7 12.526 -13.194 -2.089 1.00 33.44 C ATOM 94 O PRO A 7 11.666 -14.062 -2.236 1.00 55.24 O ATOM 95 CB PRO A 7 13.674 -13.458 0.128 1.00 52.34 C ATOM 96 CG PRO A 7 12.735 -14.270 0.951 1.00 22.03 C ATOM 97 CD PRO A 7 11.550 -13.385 1.222 1.00 73.53 C ATOM 0 HA PRO A 7 13.197 -11.582 -0.936 1.00 11.22 H new ATOM 0 HB2 PRO A 7 14.304 -14.092 -0.496 1.00 52.34 H new ATOM 0 HB3 PRO A 7 14.340 -12.866 0.756 1.00 52.34 H new ATOM 0 HG2 PRO A 7 12.434 -15.174 0.422 1.00 22.03 H new ATOM 0 HG3 PRO A 7 13.206 -14.587 1.881 1.00 22.03 H new ATOM 0 HD2 PRO A 7 10.625 -13.959 1.283 1.00 73.53 H new ATOM 0 HD3 PRO A 7 11.656 -12.850 2.166 1.00 73.53 H new ATOM 105 N ALA A 8 13.288 -12.755 -3.084 1.00 45.31 N ATOM 106 CA ALA A 8 13.156 -13.280 -4.437 1.00 63.13 C ATOM 107 C ALA A 8 13.269 -14.801 -4.449 1.00 41.22 C ATOM 108 O ALA A 8 12.701 -15.468 -5.313 1.00 41.02 O ATOM 109 CB ALA A 8 14.208 -12.664 -5.348 1.00 11.31 C ATOM 0 H ALA A 8 14.004 -12.036 -2.979 1.00 45.31 H new ATOM 0 HA ALA A 8 12.167 -13.012 -4.809 1.00 63.13 H new ATOM 0 HB1 ALA A 8 14.097 -13.066 -6.355 1.00 11.31 H new ATOM 0 HB2 ALA A 8 14.079 -11.582 -5.373 1.00 11.31 H new ATOM 0 HB3 ALA A 8 15.202 -12.903 -4.970 1.00 11.31 H new ATOM 115 N ALA A 9 14.006 -15.342 -3.485 1.00 64.32 N ATOM 116 CA ALA A 9 14.192 -16.785 -3.385 1.00 4.55 C ATOM 117 C ALA A 9 12.900 -17.477 -2.966 1.00 53.14 C ATOM 118 O ALA A 9 12.634 -18.612 -3.364 1.00 11.04 O ATOM 119 CB ALA A 9 15.308 -17.105 -2.400 1.00 75.44 C ATOM 0 H ALA A 9 14.484 -14.804 -2.762 1.00 64.32 H new ATOM 0 HA ALA A 9 14.471 -17.160 -4.369 1.00 4.55 H new ATOM 0 HB1 ALA A 9 15.437 -18.185 -2.334 1.00 75.44 H new ATOM 0 HB2 ALA A 9 16.237 -16.649 -2.742 1.00 75.44 H new ATOM 0 HB3 ALA A 9 15.050 -16.710 -1.417 1.00 75.44 H new ATOM 125 N THR A 10 12.098 -16.787 -2.161 1.00 52.12 N ATOM 126 CA THR A 10 10.834 -17.336 -1.688 1.00 33.14 C ATOM 127 C THR A 10 9.708 -17.058 -2.677 1.00 61.13 C ATOM 128 O THR A 10 8.704 -17.770 -2.707 1.00 71.13 O ATOM 129 CB THR A 10 10.449 -16.756 -0.314 1.00 13.14 C ATOM 130 OG1 THR A 10 11.397 -17.170 0.676 1.00 33.53 O ATOM 131 CG2 THR A 10 9.054 -17.207 0.093 1.00 52.34 C ATOM 0 H THR A 10 12.302 -15.846 -1.823 1.00 52.12 H new ATOM 0 HA THR A 10 10.973 -18.413 -1.594 1.00 33.14 H new ATOM 0 HB THR A 10 10.454 -15.669 -0.390 1.00 13.14 H new ATOM 0 HG1 THR A 10 11.146 -16.796 1.546 1.00 33.53 H new ATOM 0 HG21 THR A 10 8.805 -16.785 1.066 1.00 52.34 H new ATOM 0 HG22 THR A 10 8.331 -16.865 -0.647 1.00 52.34 H new ATOM 0 HG23 THR A 10 9.026 -18.295 0.152 1.00 52.34 H new ATOM 139 N CYS A 11 9.882 -16.019 -3.487 1.00 52.11 N ATOM 140 CA CYS A 11 8.881 -15.646 -4.479 1.00 72.33 C ATOM 141 C CYS A 11 9.120 -16.380 -5.796 1.00 4.03 C ATOM 142 O CYS A 11 8.176 -16.744 -6.496 1.00 34.31 O ATOM 143 CB CYS A 11 8.903 -14.135 -4.714 1.00 1.41 C ATOM 144 SG CYS A 11 8.317 -13.153 -3.296 1.00 35.34 S ATOM 0 H CYS A 11 10.708 -15.420 -3.476 1.00 52.11 H new ATOM 0 HA CYS A 11 7.902 -15.933 -4.095 1.00 72.33 H new ATOM 0 HB2 CYS A 11 9.921 -13.831 -4.957 1.00 1.41 H new ATOM 0 HB3 CYS A 11 8.286 -13.904 -5.582 1.00 1.41 H new ATOM 149 N ARG A 12 10.390 -16.593 -6.125 1.00 61.23 N ATOM 150 CA ARG A 12 10.754 -17.282 -7.357 1.00 62.24 C ATOM 151 C ARG A 12 10.192 -18.701 -7.374 1.00 2.25 C ATOM 152 O ARG A 12 9.806 -19.215 -8.424 1.00 23.12 O ATOM 153 CB ARG A 12 12.275 -17.323 -7.514 1.00 25.25 C ATOM 154 CG ARG A 12 12.972 -18.180 -6.469 1.00 70.43 C ATOM 155 CD ARG A 12 14.472 -18.241 -6.709 1.00 64.44 C ATOM 156 NE ARG A 12 15.100 -19.338 -5.977 1.00 74.54 N ATOM 157 CZ ARG A 12 16.342 -19.754 -6.198 1.00 72.14 C ATOM 158 NH1 ARG A 12 17.086 -19.167 -7.125 1.00 52.25 N ATOM 159 NH2 ARG A 12 16.842 -20.759 -5.491 1.00 2.00 N ATOM 0 H ARG A 12 11.184 -16.298 -5.556 1.00 61.23 H new ATOM 0 HA ARG A 12 10.324 -16.729 -8.192 1.00 62.24 H new ATOM 0 HB2 ARG A 12 12.519 -17.704 -8.506 1.00 25.25 H new ATOM 0 HB3 ARG A 12 12.665 -16.307 -7.458 1.00 25.25 H new ATOM 0 HG2 ARG A 12 12.778 -17.775 -5.476 1.00 70.43 H new ATOM 0 HG3 ARG A 12 12.558 -19.188 -6.489 1.00 70.43 H new ATOM 0 HD2 ARG A 12 14.664 -18.360 -7.775 1.00 64.44 H new ATOM 0 HD3 ARG A 12 14.926 -17.297 -6.407 1.00 64.44 H new ATOM 0 HE ARG A 12 14.555 -19.811 -5.256 1.00 74.54 H new ATOM 0 HH11 ARG A 12 16.705 -18.394 -7.671 1.00 52.25 H new ATOM 0 HH12 ARG A 12 18.039 -19.488 -7.293 1.00 52.25 H new ATOM 0 HH21 ARG A 12 16.273 -21.213 -4.777 1.00 2.00 H new ATOM 0 HH22 ARG A 12 17.796 -21.078 -5.662 1.00 2.00 H new ATOM 173 N HIS A 13 10.149 -19.328 -6.202 1.00 65.34 N ATOM 174 CA HIS A 13 9.635 -20.688 -6.082 1.00 14.42 C ATOM 175 C HIS A 13 8.187 -20.765 -6.558 1.00 41.40 C ATOM 176 O HIS A 13 7.820 -21.663 -7.314 1.00 55.15 O ATOM 177 CB HIS A 13 9.733 -21.166 -4.633 1.00 62.20 C ATOM 178 CG HIS A 13 9.779 -22.657 -4.496 1.00 54.04 C ATOM 179 ND1 HIS A 13 8.697 -23.409 -4.088 1.00 40.34 N ATOM 180 CD2 HIS A 13 10.784 -23.536 -4.718 1.00 73.01 C ATOM 181 CE1 HIS A 13 9.035 -24.685 -4.063 1.00 64.43 C ATOM 182 NE2 HIS A 13 10.297 -24.790 -4.442 1.00 15.23 N ATOM 0 H HIS A 13 10.463 -18.916 -5.323 1.00 65.34 H new ATOM 0 HA HIS A 13 10.242 -21.337 -6.713 1.00 14.42 H new ATOM 0 HB2 HIS A 13 10.627 -20.740 -4.178 1.00 62.20 H new ATOM 0 HB3 HIS A 13 8.878 -20.784 -4.074 1.00 62.20 H new ATOM 0 HD2 HIS A 13 11.783 -23.296 -5.050 1.00 73.01 H new ATOM 0 HE1 HIS A 13 8.390 -25.504 -3.781 1.00 64.43 H new ATOM 0 HE2 HIS A 13 10.823 -25.661 -4.517 1.00 15.23 H new ATOM 190 N ALA A 14 7.370 -19.817 -6.109 1.00 64.11 N ATOM 191 CA ALA A 14 5.964 -19.777 -6.490 1.00 61.24 C ATOM 192 C ALA A 14 5.788 -20.089 -7.973 1.00 21.14 C ATOM 193 O ALA A 14 5.424 -21.205 -8.344 1.00 64.12 O ATOM 194 CB ALA A 14 5.366 -18.418 -6.160 1.00 42.45 C ATOM 0 H ALA A 14 7.658 -19.067 -5.481 1.00 64.11 H new ATOM 0 HA ALA A 14 5.437 -20.542 -5.920 1.00 61.24 H new ATOM 0 HB1 ALA A 14 4.315 -18.403 -6.450 1.00 42.45 H new ATOM 0 HB2 ALA A 14 5.449 -18.234 -5.089 1.00 42.45 H new ATOM 0 HB3 ALA A 14 5.904 -17.642 -6.704 1.00 42.45 H new ATOM 200 N LYS A 15 6.048 -19.096 -8.816 1.00 54.13 N ATOM 201 CA LYS A 15 5.919 -19.263 -10.259 1.00 34.41 C ATOM 202 C LYS A 15 6.486 -20.608 -10.703 1.00 40.34 C ATOM 203 O LYS A 15 5.870 -21.321 -11.495 1.00 52.01 O ATOM 204 CB LYS A 15 6.637 -18.128 -10.991 1.00 53.51 C ATOM 205 CG LYS A 15 5.701 -17.046 -11.502 1.00 51.13 C ATOM 206 CD LYS A 15 4.887 -16.434 -10.374 1.00 72.25 C ATOM 207 CE LYS A 15 3.398 -16.679 -10.566 1.00 12.52 C ATOM 208 NZ LYS A 15 2.848 -15.891 -11.704 1.00 2.23 N ATOM 0 H LYS A 15 6.350 -18.166 -8.525 1.00 54.13 H new ATOM 0 HA LYS A 15 4.859 -19.234 -10.510 1.00 34.41 H new ATOM 0 HB2 LYS A 15 7.367 -17.677 -10.318 1.00 53.51 H new ATOM 0 HB3 LYS A 15 7.192 -18.543 -11.832 1.00 53.51 H new ATOM 0 HG2 LYS A 15 6.280 -16.267 -11.998 1.00 51.13 H new ATOM 0 HG3 LYS A 15 5.029 -17.468 -12.249 1.00 51.13 H new ATOM 0 HD2 LYS A 15 5.207 -16.857 -9.422 1.00 72.25 H new ATOM 0 HD3 LYS A 15 5.077 -15.362 -10.326 1.00 72.25 H new ATOM 0 HE2 LYS A 15 3.224 -17.741 -10.742 1.00 12.52 H new ATOM 0 HE3 LYS A 15 2.866 -16.416 -9.652 1.00 12.52 H new ATOM 0 HZ1 LYS A 15 1.831 -16.086 -11.802 1.00 2.23 H new ATOM 0 HZ2 LYS A 15 2.991 -14.877 -11.525 1.00 2.23 H new ATOM 0 HZ3 LYS A 15 3.338 -16.160 -12.581 1.00 2.23 H new ATOM 222 N SER A 16 7.663 -20.948 -10.188 1.00 0.21 N ATOM 223 CA SER A 16 8.314 -22.206 -10.534 1.00 3.22 C ATOM 224 C SER A 16 7.303 -23.348 -10.573 1.00 44.14 C ATOM 225 O SER A 16 7.278 -24.138 -11.517 1.00 43.35 O ATOM 226 CB SER A 16 9.422 -22.525 -9.528 1.00 11.32 C ATOM 227 OG SER A 16 9.078 -23.643 -8.728 1.00 10.20 O ATOM 0 H SER A 16 8.185 -20.370 -9.530 1.00 0.21 H new ATOM 0 HA SER A 16 8.753 -22.099 -11.526 1.00 3.22 H new ATOM 0 HB2 SER A 16 10.353 -22.726 -10.059 1.00 11.32 H new ATOM 0 HB3 SER A 16 9.599 -21.659 -8.891 1.00 11.32 H new ATOM 0 HG SER A 16 8.545 -23.345 -7.962 1.00 10.20 H new ATOM 233 N VAL A 17 6.471 -23.429 -9.541 1.00 15.24 N ATOM 234 CA VAL A 17 5.456 -24.473 -9.456 1.00 43.23 C ATOM 235 C VAL A 17 4.053 -23.882 -9.524 1.00 15.12 C ATOM 236 O VAL A 17 3.097 -24.465 -9.014 1.00 72.42 O ATOM 237 CB VAL A 17 5.596 -25.288 -8.157 1.00 4.21 C ATOM 238 CG1 VAL A 17 6.943 -25.993 -8.111 1.00 62.35 C ATOM 239 CG2 VAL A 17 5.415 -24.389 -6.943 1.00 34.52 C ATOM 0 H VAL A 17 6.479 -22.784 -8.751 1.00 15.24 H new ATOM 0 HA VAL A 17 5.610 -25.134 -10.309 1.00 43.23 H new ATOM 0 HB VAL A 17 4.814 -26.048 -8.139 1.00 4.21 H new ATOM 0 HG11 VAL A 17 7.024 -26.564 -7.186 1.00 62.35 H new ATOM 0 HG12 VAL A 17 7.030 -26.668 -8.962 1.00 62.35 H new ATOM 0 HG13 VAL A 17 7.742 -25.253 -8.152 1.00 62.35 H new ATOM 0 HG21 VAL A 17 5.517 -24.981 -6.033 1.00 34.52 H new ATOM 0 HG22 VAL A 17 6.174 -23.606 -6.954 1.00 34.52 H new ATOM 0 HG23 VAL A 17 4.425 -23.935 -6.971 1.00 34.52 H new ATOM 249 N GLY A 18 3.936 -22.719 -10.158 1.00 15.12 N ATOM 250 CA GLY A 18 2.644 -22.068 -10.281 1.00 44.10 C ATOM 251 C GLY A 18 1.914 -21.974 -8.956 1.00 54.13 C ATOM 252 O GLY A 18 0.760 -22.386 -8.846 1.00 53.41 O ATOM 0 H GLY A 18 4.712 -22.216 -10.588 1.00 15.12 H new ATOM 0 HA2 GLY A 18 2.783 -21.066 -10.688 1.00 44.10 H new ATOM 0 HA3 GLY A 18 2.029 -22.619 -10.993 1.00 44.10 H new ATOM 256 N ASN A 19 2.588 -21.432 -7.947 1.00 50.24 N ATOM 257 CA ASN A 19 1.996 -21.287 -6.622 1.00 71.35 C ATOM 258 C ASN A 19 1.378 -19.903 -6.451 1.00 32.11 C ATOM 259 O ASN A 19 1.171 -19.438 -5.330 1.00 33.24 O ATOM 260 CB ASN A 19 3.052 -21.524 -5.541 1.00 34.43 C ATOM 261 CG ASN A 19 2.624 -22.577 -4.536 1.00 52.12 C ATOM 262 OD1 ASN A 19 1.503 -22.546 -4.027 1.00 62.14 O ATOM 263 ND2 ASN A 19 3.517 -23.515 -4.246 1.00 24.23 N ATOM 0 H ASN A 19 3.545 -21.086 -8.022 1.00 50.24 H new ATOM 0 HA ASN A 19 1.207 -22.032 -6.520 1.00 71.35 H new ATOM 0 HB2 ASN A 19 3.986 -21.832 -6.011 1.00 34.43 H new ATOM 0 HB3 ASN A 19 3.251 -20.588 -5.020 1.00 34.43 H new ATOM 0 HD21 ASN A 19 3.286 -24.250 -3.577 1.00 24.23 H new ATOM 0 HD22 ASN A 19 4.434 -23.501 -4.692 1.00 24.23 H new ATOM 270 N CYS A 20 1.085 -19.249 -7.570 1.00 34.21 N ATOM 271 CA CYS A 20 0.490 -17.918 -7.545 1.00 70.41 C ATOM 272 C CYS A 20 -0.868 -17.942 -6.850 1.00 74.44 C ATOM 273 O CYS A 20 -1.320 -16.932 -6.311 1.00 44.24 O ATOM 274 CB CYS A 20 0.338 -17.378 -8.969 1.00 34.45 C ATOM 275 SG CYS A 20 0.187 -15.565 -9.064 1.00 21.51 S ATOM 0 H CYS A 20 1.250 -19.619 -8.506 1.00 34.21 H new ATOM 0 HA CYS A 20 1.154 -17.261 -6.983 1.00 70.41 H new ATOM 0 HB2 CYS A 20 1.199 -17.692 -9.559 1.00 34.45 H new ATOM 0 HB3 CYS A 20 -0.543 -17.830 -9.425 1.00 34.45 H new ATOM 280 N SER A 21 -1.515 -19.104 -6.867 1.00 51.43 N ATOM 281 CA SER A 21 -2.823 -19.259 -6.242 1.00 74.13 C ATOM 282 C SER A 21 -2.740 -19.011 -4.739 1.00 54.23 C ATOM 283 O SER A 21 -3.683 -18.505 -4.130 1.00 23.14 O ATOM 284 CB SER A 21 -3.376 -20.660 -6.509 1.00 73.44 C ATOM 285 OG SER A 21 -4.464 -20.952 -5.649 1.00 52.24 O ATOM 0 H SER A 21 -1.154 -19.951 -7.307 1.00 51.43 H new ATOM 0 HA SER A 21 -3.496 -18.521 -6.678 1.00 74.13 H new ATOM 0 HB2 SER A 21 -3.699 -20.735 -7.547 1.00 73.44 H new ATOM 0 HB3 SER A 21 -2.587 -21.399 -6.366 1.00 73.44 H new ATOM 0 HG SER A 21 -4.800 -21.852 -5.841 1.00 52.24 H new ATOM 291 N SER A 22 -1.606 -19.371 -4.148 1.00 44.52 N ATOM 292 CA SER A 22 -1.399 -19.191 -2.716 1.00 14.12 C ATOM 293 C SER A 22 -1.508 -17.718 -2.332 1.00 21.42 C ATOM 294 O SER A 22 -1.909 -16.883 -3.142 1.00 22.23 O ATOM 295 CB SER A 22 -0.031 -19.738 -2.304 1.00 13.34 C ATOM 296 OG SER A 22 -0.106 -20.414 -1.060 1.00 41.33 O ATOM 0 H SER A 22 -0.816 -19.789 -4.639 1.00 44.52 H new ATOM 0 HA SER A 22 -2.177 -19.744 -2.189 1.00 14.12 H new ATOM 0 HB2 SER A 22 0.337 -20.420 -3.070 1.00 13.34 H new ATOM 0 HB3 SER A 22 0.686 -18.920 -2.234 1.00 13.34 H new ATOM 0 HG SER A 22 0.780 -20.756 -0.819 1.00 41.33 H new ATOM 302 N GLU A 23 -1.147 -17.409 -1.090 1.00 54.12 N ATOM 303 CA GLU A 23 -1.205 -16.037 -0.598 1.00 71.51 C ATOM 304 C GLU A 23 0.173 -15.563 -0.147 1.00 2.11 C ATOM 305 O GLU A 23 0.501 -14.381 -0.253 1.00 3.00 O ATOM 306 CB GLU A 23 -2.198 -15.929 0.561 1.00 74.32 C ATOM 307 CG GLU A 23 -3.165 -14.765 0.427 1.00 53.11 C ATOM 308 CD GLU A 23 -4.459 -14.990 1.186 1.00 63.53 C ATOM 309 OE1 GLU A 23 -4.390 -15.346 2.381 1.00 12.31 O ATOM 310 OE2 GLU A 23 -5.539 -14.812 0.585 1.00 64.33 O ATOM 0 H GLU A 23 -0.812 -18.089 -0.407 1.00 54.12 H new ATOM 0 HA GLU A 23 -1.541 -15.399 -1.415 1.00 71.51 H new ATOM 0 HB2 GLU A 23 -2.766 -16.857 0.629 1.00 74.32 H new ATOM 0 HB3 GLU A 23 -1.644 -15.825 1.494 1.00 74.32 H new ATOM 0 HG2 GLU A 23 -2.687 -13.856 0.793 1.00 53.11 H new ATOM 0 HG3 GLU A 23 -3.390 -14.604 -0.627 1.00 53.11 H new ATOM 317 N LYS A 24 0.977 -16.493 0.358 1.00 72.14 N ATOM 318 CA LYS A 24 2.320 -16.173 0.825 1.00 2.40 C ATOM 319 C LYS A 24 3.060 -15.313 -0.194 1.00 43.35 C ATOM 320 O LYS A 24 3.860 -14.451 0.170 1.00 1.52 O ATOM 321 CB LYS A 24 3.109 -17.456 1.093 1.00 32.45 C ATOM 322 CG LYS A 24 4.394 -17.229 1.870 1.00 64.43 C ATOM 323 CD LYS A 24 5.006 -18.542 2.331 1.00 44.50 C ATOM 324 CE LYS A 24 6.176 -18.951 1.449 1.00 21.44 C ATOM 325 NZ LYS A 24 7.339 -19.419 2.253 1.00 3.01 N ATOM 0 H LYS A 24 0.721 -17.476 0.454 1.00 72.14 H new ATOM 0 HA LYS A 24 2.229 -15.609 1.753 1.00 2.40 H new ATOM 0 HB2 LYS A 24 2.478 -18.152 1.646 1.00 32.45 H new ATOM 0 HB3 LYS A 24 3.349 -17.931 0.141 1.00 32.45 H new ATOM 0 HG2 LYS A 24 5.108 -16.693 1.245 1.00 64.43 H new ATOM 0 HG3 LYS A 24 4.191 -16.598 2.735 1.00 64.43 H new ATOM 0 HD2 LYS A 24 5.343 -18.445 3.363 1.00 44.50 H new ATOM 0 HD3 LYS A 24 4.247 -19.324 2.316 1.00 44.50 H new ATOM 0 HE2 LYS A 24 5.860 -19.744 0.771 1.00 21.44 H new ATOM 0 HE3 LYS A 24 6.478 -18.105 0.831 1.00 21.44 H new ATOM 0 HZ1 LYS A 24 8.116 -19.689 1.616 1.00 3.01 H new ATOM 0 HZ2 LYS A 24 7.657 -18.654 2.882 1.00 3.01 H new ATOM 0 HZ3 LYS A 24 7.058 -20.242 2.824 1.00 3.01 H new ATOM 339 N TYR A 25 2.788 -15.552 -1.472 1.00 55.23 N ATOM 340 CA TYR A 25 3.428 -14.800 -2.544 1.00 45.44 C ATOM 341 C TYR A 25 2.388 -14.127 -3.435 1.00 4.31 C ATOM 342 O TYR A 25 2.550 -14.055 -4.653 1.00 55.25 O ATOM 343 CB TYR A 25 4.315 -15.722 -3.383 1.00 52.45 C ATOM 344 CG TYR A 25 4.327 -17.154 -2.900 1.00 71.33 C ATOM 345 CD1 TYR A 25 5.388 -17.646 -2.149 1.00 54.40 C ATOM 346 CD2 TYR A 25 3.279 -18.017 -3.196 1.00 15.24 C ATOM 347 CE1 TYR A 25 5.403 -18.954 -1.706 1.00 24.01 C ATOM 348 CE2 TYR A 25 3.285 -19.326 -2.755 1.00 62.25 C ATOM 349 CZ TYR A 25 4.350 -19.790 -2.011 1.00 72.23 C ATOM 350 OH TYR A 25 4.361 -21.094 -1.572 1.00 71.32 O ATOM 0 H TYR A 25 2.128 -16.261 -1.791 1.00 55.23 H new ATOM 0 HA TYR A 25 4.046 -14.025 -2.090 1.00 45.44 H new ATOM 0 HB2 TYR A 25 3.972 -15.699 -4.418 1.00 52.45 H new ATOM 0 HB3 TYR A 25 5.335 -15.336 -3.376 1.00 52.45 H new ATOM 0 HD1 TYR A 25 6.215 -16.994 -1.908 1.00 54.40 H new ATOM 0 HD2 TYR A 25 2.445 -17.658 -3.781 1.00 15.24 H new ATOM 0 HE1 TYR A 25 6.235 -19.320 -1.124 1.00 24.01 H new ATOM 0 HE2 TYR A 25 2.461 -19.982 -2.991 1.00 62.25 H new ATOM 0 HH TYR A 25 3.545 -21.547 -1.872 1.00 71.32 H new ATOM 360 N LYS A 26 1.320 -13.634 -2.817 1.00 43.12 N ATOM 361 CA LYS A 26 0.253 -12.964 -3.551 1.00 33.23 C ATOM 362 C LYS A 26 -0.171 -11.681 -2.844 1.00 2.50 C ATOM 363 O LYS A 26 -0.533 -10.696 -3.489 1.00 22.41 O ATOM 364 CB LYS A 26 -0.952 -13.896 -3.703 1.00 65.13 C ATOM 365 CG LYS A 26 -1.933 -13.452 -4.774 1.00 44.23 C ATOM 366 CD LYS A 26 -3.372 -13.633 -4.322 1.00 62.00 C ATOM 367 CE LYS A 26 -3.970 -14.920 -4.869 1.00 52.24 C ATOM 368 NZ LYS A 26 -4.985 -15.497 -3.945 1.00 2.04 N ATOM 0 H LYS A 26 1.170 -13.686 -1.809 1.00 43.12 H new ATOM 0 HA LYS A 26 0.633 -12.705 -4.539 1.00 33.23 H new ATOM 0 HB2 LYS A 26 -0.597 -14.899 -3.940 1.00 65.13 H new ATOM 0 HB3 LYS A 26 -1.474 -13.960 -2.748 1.00 65.13 H new ATOM 0 HG2 LYS A 26 -1.757 -12.405 -5.018 1.00 44.23 H new ATOM 0 HG3 LYS A 26 -1.762 -14.025 -5.685 1.00 44.23 H new ATOM 0 HD2 LYS A 26 -3.414 -13.645 -3.233 1.00 62.00 H new ATOM 0 HD3 LYS A 26 -3.969 -12.783 -4.654 1.00 62.00 H new ATOM 0 HE2 LYS A 26 -4.431 -14.724 -5.837 1.00 52.24 H new ATOM 0 HE3 LYS A 26 -3.176 -15.647 -5.036 1.00 52.24 H new ATOM 0 HZ1 LYS A 26 -4.731 -16.480 -3.720 1.00 2.04 H new ATOM 0 HZ2 LYS A 26 -5.014 -14.938 -3.069 1.00 2.04 H new ATOM 0 HZ3 LYS A 26 -5.920 -15.477 -4.400 1.00 2.04 H new ATOM 382 N ARG A 27 -0.121 -11.698 -1.516 1.00 15.40 N ATOM 383 CA ARG A 27 -0.500 -10.535 -0.722 1.00 42.44 C ATOM 384 C ARG A 27 0.701 -9.624 -0.486 1.00 3.23 C ATOM 385 O ARG A 27 0.566 -8.402 -0.434 1.00 34.32 O ATOM 386 CB ARG A 27 -1.091 -10.976 0.618 1.00 41.41 C ATOM 387 CG ARG A 27 -0.225 -11.975 1.366 1.00 24.52 C ATOM 388 CD ARG A 27 -0.279 -11.745 2.868 1.00 31.43 C ATOM 389 NE ARG A 27 0.259 -10.440 3.242 1.00 24.31 N ATOM 390 CZ ARG A 27 0.504 -10.078 4.496 1.00 24.34 C ATOM 391 NH1 ARG A 27 0.261 -10.919 5.492 1.00 32.02 N ATOM 392 NH2 ARG A 27 0.995 -8.873 4.757 1.00 73.04 N ATOM 0 H ARG A 27 0.178 -12.504 -0.967 1.00 15.40 H new ATOM 0 HA ARG A 27 -1.254 -9.977 -1.277 1.00 42.44 H new ATOM 0 HB2 ARG A 27 -1.242 -10.098 1.245 1.00 41.41 H new ATOM 0 HB3 ARG A 27 -2.073 -11.417 0.445 1.00 41.41 H new ATOM 0 HG2 ARG A 27 -0.558 -12.988 1.140 1.00 24.52 H new ATOM 0 HG3 ARG A 27 0.806 -11.894 1.021 1.00 24.52 H new ATOM 0 HD2 ARG A 27 -1.311 -11.823 3.210 1.00 31.43 H new ATOM 0 HD3 ARG A 27 0.285 -12.528 3.375 1.00 31.43 H new ATOM 0 HE ARG A 27 0.458 -9.770 2.499 1.00 24.31 H new ATOM 0 HH11 ARG A 27 -0.115 -11.847 5.296 1.00 32.02 H new ATOM 0 HH12 ARG A 27 0.450 -10.638 6.454 1.00 32.02 H new ATOM 0 HH21 ARG A 27 1.185 -8.223 3.994 1.00 73.04 H new ATOM 0 HH22 ARG A 27 1.183 -8.597 5.721 1.00 73.04 H new ATOM 406 N ASN A 28 1.876 -10.228 -0.342 1.00 65.05 N ATOM 407 CA ASN A 28 3.101 -9.472 -0.110 1.00 45.51 C ATOM 408 C ASN A 28 3.970 -9.444 -1.364 1.00 53.53 C ATOM 409 O ASN A 28 4.691 -8.477 -1.612 1.00 4.02 O ATOM 410 CB ASN A 28 3.887 -10.078 1.054 1.00 22.31 C ATOM 411 CG ASN A 28 4.034 -11.583 0.931 1.00 51.31 C ATOM 412 OD1 ASN A 28 4.806 -12.077 0.109 1.00 31.02 O ATOM 413 ND2 ASN A 28 3.291 -12.318 1.750 1.00 71.44 N ATOM 0 H ASN A 28 2.006 -11.239 -0.382 1.00 65.05 H new ATOM 0 HA ASN A 28 2.823 -8.448 0.141 1.00 45.51 H new ATOM 0 HB2 ASN A 28 4.876 -9.621 1.098 1.00 22.31 H new ATOM 0 HB3 ASN A 28 3.384 -9.840 1.991 1.00 22.31 H new ATOM 0 HD21 ASN A 28 3.346 -13.336 1.714 1.00 71.44 H new ATOM 0 HD22 ASN A 28 2.665 -11.865 2.416 1.00 71.44 H new ATOM 420 N CYS A 29 3.894 -10.510 -2.153 1.00 42.04 N ATOM 421 CA CYS A 29 4.672 -10.609 -3.382 1.00 60.15 C ATOM 422 C CYS A 29 3.784 -10.403 -4.606 1.00 42.43 C ATOM 423 O CYS A 29 3.941 -11.081 -5.621 1.00 40.42 O ATOM 424 CB CYS A 29 5.364 -11.971 -3.465 1.00 33.34 C ATOM 425 SG CYS A 29 7.102 -11.891 -4.002 1.00 25.23 S ATOM 0 H CYS A 29 3.301 -11.318 -1.963 1.00 42.04 H new ATOM 0 HA CYS A 29 5.429 -9.825 -3.367 1.00 60.15 H new ATOM 0 HB2 CYS A 29 5.319 -12.450 -2.487 1.00 33.34 H new ATOM 0 HB3 CYS A 29 4.810 -12.606 -4.156 1.00 33.34 H new ATOM 430 N ALA A 30 2.852 -9.461 -4.502 1.00 31.21 N ATOM 431 CA ALA A 30 1.941 -9.163 -5.600 1.00 33.40 C ATOM 432 C ALA A 30 2.707 -8.861 -6.883 1.00 25.20 C ATOM 433 O ALA A 30 2.235 -9.153 -7.982 1.00 44.43 O ATOM 434 CB ALA A 30 1.038 -7.994 -5.234 1.00 61.45 C ATOM 0 H ALA A 30 2.708 -8.891 -3.668 1.00 31.21 H new ATOM 0 HA ALA A 30 1.323 -10.044 -5.776 1.00 33.40 H new ATOM 0 HB1 ALA A 30 0.363 -7.782 -6.063 1.00 61.45 H new ATOM 0 HB2 ALA A 30 0.456 -8.247 -4.348 1.00 61.45 H new ATOM 0 HB3 ALA A 30 1.647 -7.114 -5.029 1.00 61.45 H new ATOM 440 N ILE A 31 3.891 -8.275 -6.735 1.00 71.34 N ATOM 441 CA ILE A 31 4.722 -7.934 -7.883 1.00 63.41 C ATOM 442 C ILE A 31 5.213 -9.189 -8.598 1.00 44.51 C ATOM 443 O ILE A 31 5.456 -9.174 -9.805 1.00 65.23 O ATOM 444 CB ILE A 31 5.938 -7.086 -7.465 1.00 51.14 C ATOM 445 CG1 ILE A 31 5.478 -5.812 -6.754 1.00 11.12 C ATOM 446 CG2 ILE A 31 6.787 -6.743 -8.680 1.00 63.42 C ATOM 447 CD1 ILE A 31 4.490 -4.994 -7.557 1.00 23.43 C ATOM 0 H ILE A 31 4.296 -8.027 -5.832 1.00 71.34 H new ATOM 0 HA ILE A 31 4.099 -7.352 -8.562 1.00 63.41 H new ATOM 0 HB ILE A 31 6.547 -7.667 -6.772 1.00 51.14 H new ATOM 0 HG12 ILE A 31 5.024 -6.082 -5.801 1.00 11.12 H new ATOM 0 HG13 ILE A 31 6.349 -5.196 -6.529 1.00 11.12 H new ATOM 0 HG21 ILE A 31 7.642 -6.144 -8.369 1.00 63.42 H new ATOM 0 HG22 ILE A 31 7.139 -7.662 -9.149 1.00 63.42 H new ATOM 0 HG23 ILE A 31 6.188 -6.178 -9.394 1.00 63.42 H new ATOM 0 HD11 ILE A 31 4.208 -4.106 -6.991 1.00 23.43 H new ATOM 0 HD12 ILE A 31 4.948 -4.694 -8.500 1.00 23.43 H new ATOM 0 HD13 ILE A 31 3.602 -5.592 -7.759 1.00 23.43 H new ATOM 459 N THR A 32 5.356 -10.275 -7.845 1.00 42.11 N ATOM 460 CA THR A 32 5.817 -11.538 -8.406 1.00 64.52 C ATOM 461 C THR A 32 4.648 -12.375 -8.911 1.00 73.42 C ATOM 462 O THR A 32 4.786 -13.144 -9.863 1.00 24.52 O ATOM 463 CB THR A 32 6.610 -12.357 -7.370 1.00 21.32 C ATOM 464 OG1 THR A 32 7.799 -11.653 -6.994 1.00 52.32 O ATOM 465 CG2 THR A 32 6.979 -13.724 -7.927 1.00 41.34 C ATOM 0 H THR A 32 5.159 -10.305 -6.845 1.00 42.11 H new ATOM 0 HA THR A 32 6.472 -11.292 -9.242 1.00 64.52 H new ATOM 0 HB THR A 32 5.979 -12.498 -6.492 1.00 21.32 H new ATOM 0 HG1 THR A 32 7.784 -11.477 -6.030 1.00 52.32 H new ATOM 0 HG21 THR A 32 7.538 -14.284 -7.177 1.00 41.34 H new ATOM 0 HG22 THR A 32 6.071 -14.269 -8.184 1.00 41.34 H new ATOM 0 HG23 THR A 32 7.592 -13.600 -8.819 1.00 41.34 H new ATOM 473 N CYS A 33 3.495 -12.221 -8.269 1.00 12.31 N ATOM 474 CA CYS A 33 2.300 -12.962 -8.653 1.00 14.11 C ATOM 475 C CYS A 33 1.619 -12.312 -9.854 1.00 61.34 C ATOM 476 O CYS A 33 1.458 -12.936 -10.902 1.00 70.23 O ATOM 477 CB CYS A 33 1.322 -13.038 -7.479 1.00 12.35 C ATOM 478 SG CYS A 33 0.343 -14.573 -7.424 1.00 20.12 S ATOM 0 H CYS A 33 3.363 -11.589 -7.479 1.00 12.31 H new ATOM 0 HA CYS A 33 2.603 -13.971 -8.931 1.00 14.11 H new ATOM 0 HB2 CYS A 33 1.881 -12.943 -6.548 1.00 12.35 H new ATOM 0 HB3 CYS A 33 0.642 -12.188 -7.531 1.00 12.35 H new ATOM 483 N GLY A 34 1.222 -11.054 -9.694 1.00 12.54 N ATOM 484 CA GLY A 34 0.564 -10.340 -10.772 1.00 52.13 C ATOM 485 C GLY A 34 -0.777 -9.768 -10.356 1.00 42.30 C ATOM 486 O GLY A 34 -1.700 -9.681 -11.165 1.00 33.33 O ATOM 0 H GLY A 34 1.344 -10.516 -8.836 1.00 12.54 H new ATOM 0 HA2 GLY A 34 1.210 -9.532 -11.115 1.00 52.13 H new ATOM 0 HA3 GLY A 34 0.422 -11.014 -11.616 1.00 52.13 H new ATOM 490 N ALA A 35 -0.884 -9.378 -9.090 1.00 54.52 N ATOM 491 CA ALA A 35 -2.122 -8.811 -8.568 1.00 43.42 C ATOM 492 C ALA A 35 -2.040 -7.290 -8.494 1.00 12.32 C ATOM 493 O ALA A 35 -2.978 -6.588 -8.874 1.00 62.15 O ATOM 494 CB ALA A 35 -2.431 -9.392 -7.197 1.00 33.23 C ATOM 0 H ALA A 35 -0.129 -9.444 -8.407 1.00 54.52 H new ATOM 0 HA ALA A 35 -2.930 -9.073 -9.252 1.00 43.42 H new ATOM 0 HB1 ALA A 35 -3.358 -8.960 -6.819 1.00 33.23 H new ATOM 0 HB2 ALA A 35 -2.541 -10.474 -7.276 1.00 33.23 H new ATOM 0 HB3 ALA A 35 -1.616 -9.159 -6.511 1.00 33.23 H new ATOM 500 N CYS A 36 -0.914 -6.786 -8.001 1.00 10.45 N ATOM 501 CA CYS A 36 -0.710 -5.348 -7.875 1.00 1.43 C ATOM 502 C CYS A 36 -0.052 -4.780 -9.129 1.00 54.32 C ATOM 503 O CYS A 36 0.208 -3.580 -9.216 1.00 54.51 O ATOM 504 CB CYS A 36 0.153 -5.039 -6.649 1.00 74.13 C ATOM 505 SG CYS A 36 0.087 -3.299 -6.113 1.00 30.42 S ATOM 0 H CYS A 36 -0.128 -7.353 -7.682 1.00 10.45 H new ATOM 0 HA CYS A 36 -1.686 -4.878 -7.752 1.00 1.43 H new ATOM 0 HB2 CYS A 36 -0.167 -5.675 -5.823 1.00 74.13 H new ATOM 0 HB3 CYS A 36 1.188 -5.301 -6.871 1.00 74.13 H new TER 510 CYS A 36