USER MOD reduce.3.24.130724 H: found=0, std=0, add=264, rem=0, adj=7 USER MOD reduce.3.24.130724 removed 264 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 GLY N :NH3+ -96:sc= 0.0403 (180deg=0) USER MOD Single : A 5 TYR OH : rot 149:sc= 1.23 USER MOD Single : A 8 LYS NZ :NH3+ 170:sc= 1.21 (180deg=0.961) USER MOD Single : A 10 HIS : no HE2:sc= 0.956 K(o=0.96,f=-3.8!) USER MOD Single : A 12 LYS NZ :NH3+ 135:sc= -2.63! (180deg=-4!) USER MOD Single : A 20 THR OG1 : rot 180:sc= 0.00629 USER MOD Single : A 27 TYR OH : rot 180:sc= 0 USER MOD ----------------------------------------------------------------- ATOM 1 N GLY A 1 8.107 12.528 -0.824 1.00 0.00 N ATOM 2 CA GLY A 1 7.094 11.461 -1.021 1.00 0.00 C ATOM 3 C GLY A 1 7.034 10.536 0.171 1.00 0.00 C ATOM 4 O GLY A 1 8.045 10.335 0.840 1.00 0.00 O ATOM 0 H1 GLY A 1 7.642 13.385 -0.462 1.00 0.00 H new ATOM 0 H2 GLY A 1 8.821 12.207 -0.140 1.00 0.00 H new ATOM 0 H3 GLY A 1 8.568 12.741 -1.732 1.00 0.00 H new ATOM 0 HA2 GLY A 1 6.115 11.911 -1.184 1.00 0.00 H new ATOM 0 HA3 GLY A 1 7.335 10.889 -1.917 1.00 0.00 H new ATOM 10 N LEU A 2 5.860 9.985 0.439 1.00 0.00 N ATOM 11 CA LEU A 2 5.680 9.079 1.558 1.00 0.00 C ATOM 12 C LEU A 2 6.236 7.708 1.213 1.00 0.00 C ATOM 13 O LEU A 2 6.223 7.297 0.053 1.00 0.00 O ATOM 14 CB LEU A 2 4.200 8.959 1.949 1.00 0.00 C ATOM 15 CG LEU A 2 3.567 10.205 2.587 1.00 0.00 C ATOM 16 CD1 LEU A 2 4.458 10.760 3.688 1.00 0.00 C ATOM 17 CD2 LEU A 2 3.273 11.272 1.541 1.00 0.00 C ATOM 0 H LEU A 2 5.015 10.152 -0.107 1.00 0.00 H new ATOM 0 HA LEU A 2 6.223 9.487 2.410 1.00 0.00 H new ATOM 0 HB2 LEU A 2 3.629 8.703 1.057 1.00 0.00 H new ATOM 0 HB3 LEU A 2 4.095 8.126 2.645 1.00 0.00 H new ATOM 0 HG LEU A 2 2.619 9.905 3.033 1.00 0.00 H new ATOM 0 HD11 LEU A 2 3.990 11.642 4.125 1.00 0.00 H new ATOM 0 HD12 LEU A 2 4.597 10.003 4.460 1.00 0.00 H new ATOM 0 HD13 LEU A 2 5.426 11.034 3.269 1.00 0.00 H new ATOM 0 HD21 LEU A 2 2.826 12.141 2.023 1.00 0.00 H new ATOM 0 HD22 LEU A 2 4.201 11.567 1.051 1.00 0.00 H new ATOM 0 HD23 LEU A 2 2.582 10.873 0.799 1.00 0.00 H new ATOM 29 N LEU A 3 6.723 7.019 2.225 1.00 0.00 N ATOM 30 CA LEU A 3 7.287 5.690 2.053 1.00 0.00 C ATOM 31 C LEU A 3 6.190 4.677 1.766 1.00 0.00 C ATOM 32 O LEU A 3 5.053 4.831 2.210 1.00 0.00 O ATOM 33 CB LEU A 3 8.080 5.259 3.293 1.00 0.00 C ATOM 34 CG LEU A 3 9.446 5.932 3.485 1.00 0.00 C ATOM 35 CD1 LEU A 3 10.265 5.871 2.203 1.00 0.00 C ATOM 36 CD2 LEU A 3 9.290 7.370 3.958 1.00 0.00 C ATOM 0 H LEU A 3 6.740 7.360 3.186 1.00 0.00 H new ATOM 0 HA LEU A 3 7.969 5.728 1.203 1.00 0.00 H new ATOM 0 HB2 LEU A 3 7.472 5.457 4.176 1.00 0.00 H new ATOM 0 HB3 LEU A 3 8.232 4.181 3.246 1.00 0.00 H new ATOM 0 HG LEU A 3 9.982 5.382 4.259 1.00 0.00 H new ATOM 0 HD11 LEU A 3 11.229 6.354 2.364 1.00 0.00 H new ATOM 0 HD12 LEU A 3 10.423 4.830 1.922 1.00 0.00 H new ATOM 0 HD13 LEU A 3 9.730 6.385 1.405 1.00 0.00 H new ATOM 0 HD21 LEU A 3 10.275 7.820 4.085 1.00 0.00 H new ATOM 0 HD22 LEU A 3 8.724 7.937 3.219 1.00 0.00 H new ATOM 0 HD23 LEU A 3 8.759 7.384 4.910 1.00 0.00 H new ATOM 48 N CYS A 4 6.543 3.644 1.027 1.00 0.00 N ATOM 49 CA CYS A 4 5.598 2.596 0.674 1.00 0.00 C ATOM 50 C CYS A 4 5.566 1.512 1.740 1.00 0.00 C ATOM 51 O CYS A 4 6.547 1.289 2.449 1.00 0.00 O ATOM 52 CB CYS A 4 5.957 1.972 -0.675 1.00 0.00 C ATOM 53 SG CYS A 4 5.191 2.765 -2.130 1.00 0.00 S ATOM 0 H CYS A 4 7.483 3.505 0.656 1.00 0.00 H new ATOM 0 HA CYS A 4 4.611 3.054 0.604 1.00 0.00 H new ATOM 0 HB2 CYS A 4 7.040 2.002 -0.794 1.00 0.00 H new ATOM 0 HB3 CYS A 4 5.667 0.921 -0.660 1.00 0.00 H new ATOM 58 N TYR A 5 4.431 0.840 1.843 1.00 0.00 N ATOM 59 CA TYR A 5 4.251 -0.217 2.802 1.00 0.00 C ATOM 60 C TYR A 5 3.747 -1.470 2.101 1.00 0.00 C ATOM 61 O TYR A 5 3.005 -1.403 1.111 1.00 0.00 O ATOM 62 CB TYR A 5 3.278 0.217 3.912 1.00 0.00 C ATOM 63 CG TYR A 5 1.829 0.326 3.475 1.00 0.00 C ATOM 64 CD1 TYR A 5 0.988 -0.782 3.506 1.00 0.00 C ATOM 65 CD2 TYR A 5 1.299 1.538 3.048 1.00 0.00 C ATOM 66 CE1 TYR A 5 -0.333 -0.687 3.118 1.00 0.00 C ATOM 67 CE2 TYR A 5 -0.024 1.640 2.660 1.00 0.00 C ATOM 68 CZ TYR A 5 -0.835 0.523 2.696 1.00 0.00 C ATOM 69 OH TYR A 5 -2.153 0.619 2.314 1.00 0.00 O ATOM 0 H TYR A 5 3.613 1.018 1.260 1.00 0.00 H new ATOM 0 HA TYR A 5 5.212 -0.439 3.267 1.00 0.00 H new ATOM 0 HB2 TYR A 5 3.343 -0.496 4.734 1.00 0.00 H new ATOM 0 HB3 TYR A 5 3.600 1.183 4.302 1.00 0.00 H new ATOM 0 HD1 TYR A 5 1.376 -1.733 3.840 1.00 0.00 H new ATOM 0 HD2 TYR A 5 1.931 2.414 3.019 1.00 0.00 H new ATOM 0 HE1 TYR A 5 -0.970 -1.559 3.145 1.00 0.00 H new ATOM 0 HE2 TYR A 5 -0.421 2.589 2.330 1.00 0.00 H new ATOM 0 HH TYR A 5 -2.486 1.519 2.511 1.00 0.00 H new ATOM 79 N CYS A 6 4.164 -2.598 2.628 1.00 0.00 N ATOM 80 CA CYS A 6 3.781 -3.899 2.108 1.00 0.00 C ATOM 81 C CYS A 6 2.518 -4.368 2.818 1.00 0.00 C ATOM 82 O CYS A 6 2.366 -4.145 4.021 1.00 0.00 O ATOM 83 CB CYS A 6 4.925 -4.892 2.329 1.00 0.00 C ATOM 84 SG CYS A 6 4.577 -6.590 1.779 1.00 0.00 S ATOM 0 H CYS A 6 4.784 -2.643 3.437 1.00 0.00 H new ATOM 0 HA CYS A 6 3.580 -3.832 1.039 1.00 0.00 H new ATOM 0 HB2 CYS A 6 5.809 -4.529 1.805 1.00 0.00 H new ATOM 0 HB3 CYS A 6 5.170 -4.912 3.391 1.00 0.00 H new ATOM 89 N ARG A 7 1.600 -4.999 2.095 1.00 0.00 N ATOM 90 CA ARG A 7 0.365 -5.455 2.711 1.00 0.00 C ATOM 91 C ARG A 7 -0.195 -6.680 2.004 1.00 0.00 C ATOM 92 O ARG A 7 -0.311 -6.706 0.780 1.00 0.00 O ATOM 93 CB ARG A 7 -0.677 -4.333 2.703 1.00 0.00 C ATOM 94 CG ARG A 7 -1.861 -4.591 3.621 1.00 0.00 C ATOM 95 CD ARG A 7 -2.935 -3.527 3.460 1.00 0.00 C ATOM 96 NE ARG A 7 -3.991 -3.656 4.468 1.00 0.00 N ATOM 97 CZ ARG A 7 -5.153 -2.999 4.421 1.00 0.00 C ATOM 98 NH1 ARG A 7 -5.451 -2.243 3.371 1.00 0.00 N ATOM 99 NH2 ARG A 7 -6.026 -3.122 5.416 1.00 0.00 N ATOM 0 H ARG A 7 1.686 -5.203 1.099 1.00 0.00 H new ATOM 0 HA ARG A 7 0.594 -5.733 3.740 1.00 0.00 H new ATOM 0 HB2 ARG A 7 -0.196 -3.401 2.999 1.00 0.00 H new ATOM 0 HB3 ARG A 7 -1.041 -4.195 1.685 1.00 0.00 H new ATOM 0 HG2 ARG A 7 -2.284 -5.572 3.404 1.00 0.00 H new ATOM 0 HG3 ARG A 7 -1.522 -4.613 4.657 1.00 0.00 H new ATOM 0 HD2 ARG A 7 -2.481 -2.539 3.535 1.00 0.00 H new ATOM 0 HD3 ARG A 7 -3.373 -3.602 2.465 1.00 0.00 H new ATOM 0 HE ARG A 7 -3.829 -4.286 5.254 1.00 0.00 H new ATOM 0 HH11 ARG A 7 -4.792 -2.163 2.597 1.00 0.00 H new ATOM 0 HH12 ARG A 7 -6.339 -1.743 3.338 1.00 0.00 H new ATOM 0 HH21 ARG A 7 -5.808 -3.718 6.215 1.00 0.00 H new ATOM 0 HH22 ARG A 7 -6.914 -2.621 5.381 1.00 0.00 H new ATOM 113 N LYS A 8 -0.565 -7.681 2.791 1.00 0.00 N ATOM 114 CA LYS A 8 -1.147 -8.911 2.263 1.00 0.00 C ATOM 115 C LYS A 8 -2.618 -8.677 1.912 1.00 0.00 C ATOM 116 O LYS A 8 -3.523 -9.278 2.503 1.00 0.00 O ATOM 117 CB LYS A 8 -1.024 -10.044 3.286 1.00 0.00 C ATOM 118 CG LYS A 8 -1.461 -11.401 2.751 1.00 0.00 C ATOM 119 CD LYS A 8 -1.768 -12.380 3.874 1.00 0.00 C ATOM 120 CE LYS A 8 -2.873 -11.860 4.786 1.00 0.00 C ATOM 121 NZ LYS A 8 -4.117 -11.533 4.032 1.00 0.00 N ATOM 0 H LYS A 8 -0.472 -7.666 3.807 1.00 0.00 H new ATOM 0 HA LYS A 8 -0.604 -9.199 1.362 1.00 0.00 H new ATOM 0 HB2 LYS A 8 0.012 -10.111 3.618 1.00 0.00 H new ATOM 0 HB3 LYS A 8 -1.625 -9.798 4.162 1.00 0.00 H new ATOM 0 HG2 LYS A 8 -2.345 -11.277 2.125 1.00 0.00 H new ATOM 0 HG3 LYS A 8 -0.676 -11.811 2.116 1.00 0.00 H new ATOM 0 HD2 LYS A 8 -2.067 -13.339 3.450 1.00 0.00 H new ATOM 0 HD3 LYS A 8 -0.866 -12.557 4.459 1.00 0.00 H new ATOM 0 HE2 LYS A 8 -3.097 -12.608 5.546 1.00 0.00 H new ATOM 0 HE3 LYS A 8 -2.522 -10.970 5.308 1.00 0.00 H new ATOM 0 HZ1 LYS A 8 -4.890 -11.347 4.702 1.00 0.00 H new ATOM 0 HZ2 LYS A 8 -3.956 -10.689 3.446 1.00 0.00 H new ATOM 0 HZ3 LYS A 8 -4.374 -12.335 3.421 1.00 0.00 H new ATOM 135 N GLY A 9 -2.845 -7.779 0.971 1.00 0.00 N ATOM 136 CA GLY A 9 -4.188 -7.445 0.556 1.00 0.00 C ATOM 137 C GLY A 9 -4.183 -6.387 -0.524 1.00 0.00 C ATOM 138 O GLY A 9 -3.785 -6.653 -1.654 1.00 0.00 O ATOM 0 H GLY A 9 -2.111 -7.268 0.480 1.00 0.00 H new ATOM 0 HA2 GLY A 9 -4.690 -8.340 0.189 1.00 0.00 H new ATOM 0 HA3 GLY A 9 -4.758 -7.089 1.414 1.00 0.00 H new ATOM 142 N HIS A 10 -4.614 -5.186 -0.173 1.00 0.00 N ATOM 143 CA HIS A 10 -4.651 -4.066 -1.107 1.00 0.00 C ATOM 144 C HIS A 10 -4.429 -2.768 -0.352 1.00 0.00 C ATOM 145 O HIS A 10 -4.454 -2.750 0.879 1.00 0.00 O ATOM 146 CB HIS A 10 -5.993 -4.006 -1.851 1.00 0.00 C ATOM 147 CG HIS A 10 -5.973 -4.613 -3.225 1.00 0.00 C ATOM 148 ND1 HIS A 10 -5.542 -5.899 -3.485 1.00 0.00 N ATOM 149 CD2 HIS A 10 -6.358 -4.104 -4.421 1.00 0.00 C ATOM 150 CE1 HIS A 10 -5.665 -6.154 -4.774 1.00 0.00 C ATOM 151 NE2 HIS A 10 -6.158 -5.082 -5.364 1.00 0.00 N ATOM 0 H HIS A 10 -4.948 -4.958 0.764 1.00 0.00 H new ATOM 0 HA HIS A 10 -3.860 -4.208 -1.843 1.00 0.00 H new ATOM 0 HB2 HIS A 10 -6.748 -4.517 -1.253 1.00 0.00 H new ATOM 0 HB3 HIS A 10 -6.302 -2.964 -1.933 1.00 0.00 H new ATOM 0 HD1 HIS A 10 -5.184 -6.552 -2.788 1.00 0.00 H new ATOM 0 HD2 HIS A 10 -6.749 -3.113 -4.599 1.00 0.00 H new ATOM 0 HE1 HIS A 10 -5.406 -7.082 -5.262 1.00 0.00 H new ATOM 160 N CYS A 11 -4.212 -1.695 -1.091 1.00 0.00 N ATOM 161 CA CYS A 11 -3.984 -0.380 -0.502 1.00 0.00 C ATOM 162 C CYS A 11 -5.224 0.086 0.254 1.00 0.00 C ATOM 163 O CYS A 11 -6.325 -0.423 0.031 1.00 0.00 O ATOM 164 CB CYS A 11 -3.650 0.629 -1.598 1.00 0.00 C ATOM 165 SG CYS A 11 -2.595 -0.038 -2.933 1.00 0.00 S ATOM 0 H CYS A 11 -4.188 -1.706 -2.111 1.00 0.00 H new ATOM 0 HA CYS A 11 -3.149 -0.452 0.195 1.00 0.00 H new ATOM 0 HB2 CYS A 11 -4.579 0.996 -2.034 1.00 0.00 H new ATOM 0 HB3 CYS A 11 -3.149 1.486 -1.147 1.00 0.00 H new ATOM 170 N LYS A 12 -5.056 1.069 1.127 1.00 0.00 N ATOM 171 CA LYS A 12 -6.183 1.604 1.874 1.00 0.00 C ATOM 172 C LYS A 12 -6.904 2.626 1.013 1.00 0.00 C ATOM 173 O LYS A 12 -6.320 3.149 0.063 1.00 0.00 O ATOM 174 CB LYS A 12 -5.733 2.249 3.189 1.00 0.00 C ATOM 175 CG LYS A 12 -5.089 1.277 4.167 1.00 0.00 C ATOM 176 CD LYS A 12 -4.625 1.969 5.448 1.00 0.00 C ATOM 177 CE LYS A 12 -3.343 2.775 5.251 1.00 0.00 C ATOM 178 NZ LYS A 12 -3.548 3.995 4.421 1.00 0.00 N ATOM 0 H LYS A 12 -4.159 1.508 1.334 1.00 0.00 H new ATOM 0 HA LYS A 12 -6.854 0.783 2.126 1.00 0.00 H new ATOM 0 HB2 LYS A 12 -5.025 3.047 2.967 1.00 0.00 H new ATOM 0 HB3 LYS A 12 -6.595 2.712 3.668 1.00 0.00 H new ATOM 0 HG2 LYS A 12 -5.802 0.491 4.418 1.00 0.00 H new ATOM 0 HG3 LYS A 12 -4.237 0.794 3.688 1.00 0.00 H new ATOM 0 HD2 LYS A 12 -5.414 2.631 5.805 1.00 0.00 H new ATOM 0 HD3 LYS A 12 -4.463 1.220 6.223 1.00 0.00 H new ATOM 0 HE2 LYS A 12 -2.949 3.066 6.225 1.00 0.00 H new ATOM 0 HE3 LYS A 12 -2.591 2.143 4.779 1.00 0.00 H new ATOM 0 HZ1 LYS A 12 -3.066 4.802 4.865 1.00 0.00 H new ATOM 0 HZ2 LYS A 12 -3.156 3.838 3.470 1.00 0.00 H new ATOM 0 HZ3 LYS A 12 -4.565 4.198 4.347 1.00 0.00 H new ATOM 192 N ARG A 13 -8.161 2.909 1.334 1.00 0.00 N ATOM 193 CA ARG A 13 -8.940 3.879 0.574 1.00 0.00 C ATOM 194 C ARG A 13 -8.322 5.265 0.712 1.00 0.00 C ATOM 195 O ARG A 13 -8.635 6.009 1.640 1.00 0.00 O ATOM 196 CB ARG A 13 -10.395 3.895 1.050 1.00 0.00 C ATOM 197 CG ARG A 13 -11.293 4.823 0.246 1.00 0.00 C ATOM 198 CD ARG A 13 -12.703 4.866 0.814 1.00 0.00 C ATOM 199 NE ARG A 13 -13.582 5.762 0.056 1.00 0.00 N ATOM 200 CZ ARG A 13 -14.049 5.504 -1.170 1.00 0.00 C ATOM 201 NH1 ARG A 13 -13.766 4.350 -1.770 1.00 0.00 N ATOM 202 NH2 ARG A 13 -14.816 6.395 -1.790 1.00 0.00 N ATOM 0 H ARG A 13 -8.662 2.482 2.113 1.00 0.00 H new ATOM 0 HA ARG A 13 -8.928 3.589 -0.477 1.00 0.00 H new ATOM 0 HB2 ARG A 13 -10.796 2.883 0.999 1.00 0.00 H new ATOM 0 HB3 ARG A 13 -10.422 4.196 2.097 1.00 0.00 H new ATOM 0 HG2 ARG A 13 -10.870 5.828 0.243 1.00 0.00 H new ATOM 0 HG3 ARG A 13 -11.328 4.489 -0.791 1.00 0.00 H new ATOM 0 HD2 ARG A 13 -13.124 3.861 0.812 1.00 0.00 H new ATOM 0 HD3 ARG A 13 -12.664 5.193 1.853 1.00 0.00 H new ATOM 0 HE ARG A 13 -13.856 6.642 0.494 1.00 0.00 H new ATOM 0 HH11 ARG A 13 -13.190 3.656 -1.294 1.00 0.00 H new ATOM 0 HH12 ARG A 13 -14.126 4.160 -2.705 1.00 0.00 H new ATOM 0 HH21 ARG A 13 -15.048 7.276 -1.331 1.00 0.00 H new ATOM 0 HH22 ARG A 13 -15.172 6.198 -2.725 1.00 0.00 H new ATOM 216 N GLY A 14 -7.422 5.581 -0.201 1.00 0.00 N ATOM 217 CA GLY A 14 -6.738 6.850 -0.169 1.00 0.00 C ATOM 218 C GLY A 14 -5.297 6.703 -0.604 1.00 0.00 C ATOM 219 O GLY A 14 -4.682 7.655 -1.082 1.00 0.00 O ATOM 0 H GLY A 14 -7.151 4.972 -0.973 1.00 0.00 H new ATOM 0 HA2 GLY A 14 -7.248 7.558 -0.822 1.00 0.00 H new ATOM 0 HA3 GLY A 14 -6.776 7.262 0.839 1.00 0.00 H new ATOM 223 N ASP A 15 -4.760 5.493 -0.441 1.00 0.00 N ATOM 224 CA ASP A 15 -3.382 5.212 -0.821 1.00 0.00 C ATOM 225 C ASP A 15 -3.274 5.036 -2.326 1.00 0.00 C ATOM 226 O ASP A 15 -4.276 5.068 -3.044 1.00 0.00 O ATOM 227 CB ASP A 15 -2.858 3.949 -0.129 1.00 0.00 C ATOM 228 CG ASP A 15 -2.901 4.025 1.381 1.00 0.00 C ATOM 229 OD1 ASP A 15 -2.676 5.110 1.952 1.00 0.00 O ATOM 230 OD2 ASP A 15 -3.132 2.979 2.017 1.00 0.00 O ATOM 0 H ASP A 15 -5.260 4.695 -0.049 1.00 0.00 H new ATOM 0 HA ASP A 15 -2.776 6.061 -0.505 1.00 0.00 H new ATOM 0 HB2 ASP A 15 -3.447 3.093 -0.458 1.00 0.00 H new ATOM 0 HB3 ASP A 15 -1.831 3.770 -0.447 1.00 0.00 H new ATOM 235 N ARG A 16 -2.058 4.837 -2.801 1.00 0.00 N ATOM 236 CA ARG A 16 -1.819 4.642 -4.220 1.00 0.00 C ATOM 237 C ARG A 16 -0.987 3.392 -4.451 1.00 0.00 C ATOM 238 O ARG A 16 0.033 3.180 -3.787 1.00 0.00 O ATOM 239 CB ARG A 16 -1.129 5.865 -4.832 1.00 0.00 C ATOM 240 CG ARG A 16 -2.007 7.106 -4.856 1.00 0.00 C ATOM 241 CD ARG A 16 -3.308 6.846 -5.603 1.00 0.00 C ATOM 242 NE ARG A 16 -4.235 7.978 -5.531 1.00 0.00 N ATOM 243 CZ ARG A 16 -4.078 9.129 -6.192 1.00 0.00 C ATOM 244 NH1 ARG A 16 -3.038 9.304 -7.005 1.00 0.00 N ATOM 245 NH2 ARG A 16 -4.971 10.103 -6.049 1.00 0.00 N ATOM 0 H ARG A 16 -1.218 4.806 -2.223 1.00 0.00 H new ATOM 0 HA ARG A 16 -2.783 4.515 -4.712 1.00 0.00 H new ATOM 0 HB2 ARG A 16 -0.222 6.082 -4.267 1.00 0.00 H new ATOM 0 HB3 ARG A 16 -0.821 5.627 -5.850 1.00 0.00 H new ATOM 0 HG2 ARG A 16 -2.227 7.419 -3.835 1.00 0.00 H new ATOM 0 HG3 ARG A 16 -1.469 7.926 -5.332 1.00 0.00 H new ATOM 0 HD2 ARG A 16 -3.086 6.629 -6.648 1.00 0.00 H new ATOM 0 HD3 ARG A 16 -3.789 5.960 -5.189 1.00 0.00 H new ATOM 0 HE ARG A 16 -5.057 7.881 -4.935 1.00 0.00 H new ATOM 0 HH11 ARG A 16 -2.354 8.557 -7.127 1.00 0.00 H new ATOM 0 HH12 ARG A 16 -2.925 10.185 -7.506 1.00 0.00 H new ATOM 0 HH21 ARG A 16 -5.775 9.972 -5.435 1.00 0.00 H new ATOM 0 HH22 ARG A 16 -4.852 10.982 -6.553 1.00 0.00 H new ATOM 259 N VAL A 17 -1.435 2.567 -5.386 1.00 0.00 N ATOM 260 CA VAL A 17 -0.751 1.326 -5.716 1.00 0.00 C ATOM 261 C VAL A 17 0.580 1.617 -6.394 1.00 0.00 C ATOM 262 O VAL A 17 0.668 2.491 -7.257 1.00 0.00 O ATOM 263 CB VAL A 17 -1.600 0.440 -6.658 1.00 0.00 C ATOM 264 CG1 VAL A 17 -1.033 -0.970 -6.734 1.00 0.00 C ATOM 265 CG2 VAL A 17 -3.058 0.413 -6.221 1.00 0.00 C ATOM 0 H VAL A 17 -2.278 2.738 -5.934 1.00 0.00 H new ATOM 0 HA VAL A 17 -0.588 0.793 -4.780 1.00 0.00 H new ATOM 0 HB VAL A 17 -1.557 0.878 -7.655 1.00 0.00 H new ATOM 0 HG11 VAL A 17 -1.647 -1.574 -7.402 1.00 0.00 H new ATOM 0 HG12 VAL A 17 -0.012 -0.932 -7.115 1.00 0.00 H new ATOM 0 HG13 VAL A 17 -1.033 -1.416 -5.739 1.00 0.00 H new ATOM 0 HG21 VAL A 17 -3.630 -0.217 -6.902 1.00 0.00 H new ATOM 0 HG22 VAL A 17 -3.127 0.012 -5.210 1.00 0.00 H new ATOM 0 HG23 VAL A 17 -3.462 1.425 -6.238 1.00 0.00 H new ATOM 275 N ARG A 18 1.611 0.886 -6.006 1.00 0.00 N ATOM 276 CA ARG A 18 2.927 1.071 -6.591 1.00 0.00 C ATOM 277 C ARG A 18 3.365 -0.185 -7.319 1.00 0.00 C ATOM 278 O ARG A 18 3.955 -0.117 -8.395 1.00 0.00 O ATOM 279 CB ARG A 18 3.942 1.455 -5.518 1.00 0.00 C ATOM 280 CG ARG A 18 3.696 2.833 -4.928 1.00 0.00 C ATOM 281 CD ARG A 18 3.834 3.928 -5.977 1.00 0.00 C ATOM 282 NE ARG A 18 5.156 3.928 -6.616 1.00 0.00 N ATOM 283 CZ ARG A 18 6.301 4.232 -5.996 1.00 0.00 C ATOM 284 NH1 ARG A 18 6.304 4.578 -4.710 1.00 0.00 N ATOM 285 NH2 ARG A 18 7.449 4.190 -6.668 1.00 0.00 N ATOM 0 H ARG A 18 1.562 0.161 -5.290 1.00 0.00 H new ATOM 0 HA ARG A 18 2.872 1.885 -7.314 1.00 0.00 H new ATOM 0 HB2 ARG A 18 3.914 0.714 -4.719 1.00 0.00 H new ATOM 0 HB3 ARG A 18 4.944 1.424 -5.947 1.00 0.00 H new ATOM 0 HG2 ARG A 18 2.697 2.870 -4.493 1.00 0.00 H new ATOM 0 HG3 ARG A 18 4.403 3.014 -4.118 1.00 0.00 H new ATOM 0 HD2 ARG A 18 3.065 3.797 -6.739 1.00 0.00 H new ATOM 0 HD3 ARG A 18 3.659 4.898 -5.511 1.00 0.00 H new ATOM 0 HE ARG A 18 5.204 3.678 -7.604 1.00 0.00 H new ATOM 0 HH11 ARG A 18 5.428 4.613 -4.189 1.00 0.00 H new ATOM 0 HH12 ARG A 18 7.183 4.808 -4.246 1.00 0.00 H new ATOM 0 HH21 ARG A 18 7.454 3.926 -7.653 1.00 0.00 H new ATOM 0 HH22 ARG A 18 8.324 4.421 -6.198 1.00 0.00 H new ATOM 299 N GLY A 19 3.061 -1.326 -6.731 1.00 0.00 N ATOM 300 CA GLY A 19 3.418 -2.586 -7.345 1.00 0.00 C ATOM 301 C GLY A 19 3.164 -3.758 -6.430 1.00 0.00 C ATOM 302 O GLY A 19 2.336 -3.679 -5.523 1.00 0.00 O ATOM 0 H GLY A 19 2.573 -1.405 -5.839 1.00 0.00 H new ATOM 0 HA2 GLY A 19 2.847 -2.715 -8.265 1.00 0.00 H new ATOM 0 HA3 GLY A 19 4.472 -2.567 -7.624 1.00 0.00 H new ATOM 306 N THR A 20 3.881 -4.842 -6.657 1.00 0.00 N ATOM 307 CA THR A 20 3.742 -6.034 -5.845 1.00 0.00 C ATOM 308 C THR A 20 4.834 -6.091 -4.788 1.00 0.00 C ATOM 309 O THR A 20 5.945 -5.612 -5.008 1.00 0.00 O ATOM 310 CB THR A 20 3.798 -7.302 -6.711 1.00 0.00 C ATOM 311 OG1 THR A 20 4.882 -7.203 -7.645 1.00 0.00 O ATOM 312 CG2 THR A 20 2.489 -7.507 -7.458 1.00 0.00 C ATOM 0 H THR A 20 4.571 -4.921 -7.404 1.00 0.00 H new ATOM 0 HA THR A 20 2.770 -5.988 -5.354 1.00 0.00 H new ATOM 0 HB THR A 20 3.958 -8.160 -6.057 1.00 0.00 H new ATOM 0 HG1 THR A 20 4.916 -8.014 -8.194 1.00 0.00 H new ATOM 0 HG21 THR A 20 2.554 -8.411 -8.064 1.00 0.00 H new ATOM 0 HG22 THR A 20 1.673 -7.608 -6.742 1.00 0.00 H new ATOM 0 HG23 THR A 20 2.301 -6.650 -8.104 1.00 0.00 H new ATOM 320 N CYS A 21 4.519 -6.679 -3.649 1.00 0.00 N ATOM 321 CA CYS A 21 5.483 -6.802 -2.569 1.00 0.00 C ATOM 322 C CYS A 21 6.104 -8.186 -2.586 1.00 0.00 C ATOM 323 O CYS A 21 7.322 -8.341 -2.529 1.00 0.00 O ATOM 324 CB CYS A 21 4.798 -6.550 -1.230 1.00 0.00 C ATOM 325 SG CYS A 21 5.851 -6.846 0.223 1.00 0.00 S ATOM 0 H CYS A 21 3.603 -7.079 -3.447 1.00 0.00 H new ATOM 0 HA CYS A 21 6.270 -6.061 -2.707 1.00 0.00 H new ATOM 0 HB2 CYS A 21 4.447 -5.518 -1.204 1.00 0.00 H new ATOM 0 HB3 CYS A 21 3.917 -7.188 -1.161 1.00 0.00 H new ATOM 330 N GLY A 22 5.249 -9.187 -2.680 1.00 0.00 N ATOM 331 CA GLY A 22 5.705 -10.553 -2.716 1.00 0.00 C ATOM 332 C GLY A 22 4.572 -11.509 -2.991 1.00 0.00 C ATOM 333 O GLY A 22 3.549 -11.112 -3.561 1.00 0.00 O ATOM 0 H GLY A 22 4.237 -9.074 -2.732 1.00 0.00 H new ATOM 0 HA2 GLY A 22 6.469 -10.662 -3.486 1.00 0.00 H new ATOM 0 HA3 GLY A 22 6.173 -10.806 -1.765 1.00 0.00 H new ATOM 337 N ILE A 23 4.746 -12.759 -2.584 1.00 0.00 N ATOM 338 CA ILE A 23 3.732 -13.786 -2.785 1.00 0.00 C ATOM 339 C ILE A 23 2.425 -13.434 -2.077 1.00 0.00 C ATOM 340 O ILE A 23 2.269 -13.667 -0.880 1.00 0.00 O ATOM 341 CB ILE A 23 4.226 -15.173 -2.315 1.00 0.00 C ATOM 342 CG1 ILE A 23 4.891 -15.079 -0.934 1.00 0.00 C ATOM 343 CG2 ILE A 23 5.187 -15.761 -3.337 1.00 0.00 C ATOM 344 CD1 ILE A 23 5.303 -16.420 -0.363 1.00 0.00 C ATOM 0 H ILE A 23 5.586 -13.088 -2.109 1.00 0.00 H new ATOM 0 HA ILE A 23 3.543 -13.831 -3.857 1.00 0.00 H new ATOM 0 HB ILE A 23 3.364 -15.835 -2.226 1.00 0.00 H new ATOM 0 HG12 ILE A 23 5.771 -14.440 -1.007 1.00 0.00 H new ATOM 0 HG13 ILE A 23 4.202 -14.595 -0.241 1.00 0.00 H new ATOM 0 HG21 ILE A 23 5.528 -16.738 -2.995 1.00 0.00 H new ATOM 0 HG22 ILE A 23 4.678 -15.869 -4.295 1.00 0.00 H new ATOM 0 HG23 ILE A 23 6.044 -15.098 -3.454 1.00 0.00 H new ATOM 0 HD11 ILE A 23 5.765 -16.273 0.613 1.00 0.00 H new ATOM 0 HD12 ILE A 23 4.424 -17.056 -0.257 1.00 0.00 H new ATOM 0 HD13 ILE A 23 6.017 -16.897 -1.034 1.00 0.00 H new ATOM 356 N ARG A 24 1.497 -12.867 -2.846 1.00 0.00 N ATOM 357 CA ARG A 24 0.186 -12.460 -2.346 1.00 0.00 C ATOM 358 C ARG A 24 0.303 -11.227 -1.437 1.00 0.00 C ATOM 359 O ARG A 24 -0.476 -11.043 -0.500 1.00 0.00 O ATOM 360 CB ARG A 24 -0.494 -13.639 -1.629 1.00 0.00 C ATOM 361 CG ARG A 24 -1.955 -13.415 -1.269 1.00 0.00 C ATOM 362 CD ARG A 24 -2.586 -14.692 -0.739 1.00 0.00 C ATOM 363 NE ARG A 24 -1.757 -15.327 0.290 1.00 0.00 N ATOM 364 CZ ARG A 24 -2.045 -16.493 0.870 1.00 0.00 C ATOM 365 NH1 ARG A 24 -3.157 -17.146 0.542 1.00 0.00 N ATOM 366 NH2 ARG A 24 -1.219 -17.006 1.776 1.00 0.00 N ATOM 0 H ARG A 24 1.635 -12.676 -3.839 1.00 0.00 H new ATOM 0 HA ARG A 24 -0.441 -12.174 -3.190 1.00 0.00 H new ATOM 0 HB2 ARG A 24 -0.423 -14.521 -2.265 1.00 0.00 H new ATOM 0 HB3 ARG A 24 0.060 -13.858 -0.716 1.00 0.00 H new ATOM 0 HG2 ARG A 24 -2.032 -12.628 -0.519 1.00 0.00 H new ATOM 0 HG3 ARG A 24 -2.502 -13.072 -2.148 1.00 0.00 H new ATOM 0 HD2 ARG A 24 -3.569 -14.466 -0.325 1.00 0.00 H new ATOM 0 HD3 ARG A 24 -2.740 -15.389 -1.562 1.00 0.00 H new ATOM 0 HE ARG A 24 -0.906 -14.846 0.581 1.00 0.00 H new ATOM 0 HH11 ARG A 24 -3.791 -16.755 -0.154 1.00 0.00 H new ATOM 0 HH12 ARG A 24 -3.375 -18.038 0.987 1.00 0.00 H new ATOM 0 HH21 ARG A 24 -0.365 -16.508 2.028 1.00 0.00 H new ATOM 0 HH22 ARG A 24 -1.439 -17.898 2.220 1.00 0.00 H new ATOM 380 N PHE A 25 1.262 -10.357 -1.751 1.00 0.00 N ATOM 381 CA PHE A 25 1.454 -9.120 -1.002 1.00 0.00 C ATOM 382 C PHE A 25 1.570 -7.969 -1.982 1.00 0.00 C ATOM 383 O PHE A 25 2.251 -8.081 -3.004 1.00 0.00 O ATOM 384 CB PHE A 25 2.707 -9.150 -0.115 1.00 0.00 C ATOM 385 CG PHE A 25 2.613 -10.025 1.108 1.00 0.00 C ATOM 386 CD1 PHE A 25 2.466 -11.396 1.002 1.00 0.00 C ATOM 387 CD2 PHE A 25 2.678 -9.462 2.373 1.00 0.00 C ATOM 388 CE1 PHE A 25 2.387 -12.191 2.130 1.00 0.00 C ATOM 389 CE2 PHE A 25 2.598 -10.250 3.506 1.00 0.00 C ATOM 390 CZ PHE A 25 2.453 -11.617 3.383 1.00 0.00 C ATOM 0 H PHE A 25 1.918 -10.488 -2.521 1.00 0.00 H new ATOM 0 HA PHE A 25 0.594 -8.998 -0.344 1.00 0.00 H new ATOM 0 HB2 PHE A 25 3.550 -9.487 -0.718 1.00 0.00 H new ATOM 0 HB3 PHE A 25 2.930 -8.132 0.204 1.00 0.00 H new ATOM 0 HD1 PHE A 25 2.412 -11.852 0.024 1.00 0.00 H new ATOM 0 HD2 PHE A 25 2.793 -8.393 2.475 1.00 0.00 H new ATOM 0 HE1 PHE A 25 2.274 -13.260 2.031 1.00 0.00 H new ATOM 0 HE2 PHE A 25 2.649 -9.797 4.485 1.00 0.00 H new ATOM 0 HZ PHE A 25 2.391 -12.236 4.266 1.00 0.00 H new ATOM 400 N LEU A 26 0.913 -6.872 -1.674 1.00 0.00 N ATOM 401 CA LEU A 26 0.943 -5.697 -2.531 1.00 0.00 C ATOM 402 C LEU A 26 1.804 -4.610 -1.919 1.00 0.00 C ATOM 403 O LEU A 26 2.040 -4.592 -0.709 1.00 0.00 O ATOM 404 CB LEU A 26 -0.467 -5.161 -2.797 1.00 0.00 C ATOM 405 CG LEU A 26 -1.209 -5.799 -3.979 1.00 0.00 C ATOM 406 CD1 LEU A 26 -0.427 -5.603 -5.269 1.00 0.00 C ATOM 407 CD2 LEU A 26 -1.469 -7.279 -3.735 1.00 0.00 C ATOM 0 H LEU A 26 0.347 -6.765 -0.832 1.00 0.00 H new ATOM 0 HA LEU A 26 1.377 -5.999 -3.484 1.00 0.00 H new ATOM 0 HB2 LEU A 26 -1.065 -5.302 -1.897 1.00 0.00 H new ATOM 0 HB3 LEU A 26 -0.401 -4.087 -2.970 1.00 0.00 H new ATOM 0 HG LEU A 26 -2.173 -5.300 -4.075 1.00 0.00 H new ATOM 0 HD11 LEU A 26 -0.969 -6.062 -6.096 1.00 0.00 H new ATOM 0 HD12 LEU A 26 -0.305 -4.537 -5.462 1.00 0.00 H new ATOM 0 HD13 LEU A 26 0.554 -6.069 -5.174 1.00 0.00 H new ATOM 0 HD21 LEU A 26 -1.996 -7.702 -4.590 1.00 0.00 H new ATOM 0 HD22 LEU A 26 -0.520 -7.798 -3.601 1.00 0.00 H new ATOM 0 HD23 LEU A 26 -2.078 -7.399 -2.839 1.00 0.00 H new ATOM 419 N TYR A 27 2.272 -3.715 -2.765 1.00 0.00 N ATOM 420 CA TYR A 27 3.112 -2.614 -2.334 1.00 0.00 C ATOM 421 C TYR A 27 2.428 -1.296 -2.677 1.00 0.00 C ATOM 422 O TYR A 27 2.198 -0.997 -3.857 1.00 0.00 O ATOM 423 CB TYR A 27 4.472 -2.707 -3.030 1.00 0.00 C ATOM 424 CG TYR A 27 5.613 -2.076 -2.264 1.00 0.00 C ATOM 425 CD1 TYR A 27 5.759 -2.282 -0.898 1.00 0.00 C ATOM 426 CD2 TYR A 27 6.552 -1.285 -2.913 1.00 0.00 C ATOM 427 CE1 TYR A 27 6.810 -1.717 -0.201 1.00 0.00 C ATOM 428 CE2 TYR A 27 7.604 -0.716 -2.223 1.00 0.00 C ATOM 429 CZ TYR A 27 7.729 -0.936 -0.868 1.00 0.00 C ATOM 430 OH TYR A 27 8.776 -0.369 -0.178 1.00 0.00 O ATOM 0 H TYR A 27 2.082 -3.729 -3.767 1.00 0.00 H new ATOM 0 HA TYR A 27 3.266 -2.664 -1.256 1.00 0.00 H new ATOM 0 HB2 TYR A 27 4.705 -3.757 -3.205 1.00 0.00 H new ATOM 0 HB3 TYR A 27 4.399 -2.230 -4.007 1.00 0.00 H new ATOM 0 HD1 TYR A 27 5.040 -2.893 -0.373 1.00 0.00 H new ATOM 0 HD2 TYR A 27 6.458 -1.112 -3.975 1.00 0.00 H new ATOM 0 HE1 TYR A 27 6.911 -1.887 0.861 1.00 0.00 H new ATOM 0 HE2 TYR A 27 8.325 -0.102 -2.742 1.00 0.00 H new ATOM 0 HH TYR A 27 9.332 0.150 -0.796 1.00 0.00 H new ATOM 440 N CYS A 28 2.090 -0.518 -1.656 1.00 0.00 N ATOM 441 CA CYS A 28 1.416 0.759 -1.881 1.00 0.00 C ATOM 442 C CYS A 28 2.068 1.877 -1.091 1.00 0.00 C ATOM 443 O CYS A 28 2.765 1.638 -0.113 1.00 0.00 O ATOM 444 CB CYS A 28 -0.055 0.701 -1.468 1.00 0.00 C ATOM 445 SG CYS A 28 -0.962 -0.791 -1.987 1.00 0.00 S ATOM 0 H CYS A 28 2.267 -0.742 -0.677 1.00 0.00 H new ATOM 0 HA CYS A 28 1.496 0.956 -2.950 1.00 0.00 H new ATOM 0 HB2 CYS A 28 -0.112 0.779 -0.382 1.00 0.00 H new ATOM 0 HB3 CYS A 28 -0.563 1.574 -1.878 1.00 0.00 H new ATOM 450 N CYS A 29 1.790 3.095 -1.505 1.00 0.00 N ATOM 451 CA CYS A 29 2.294 4.286 -0.832 1.00 0.00 C ATOM 452 C CYS A 29 1.123 5.152 -0.384 1.00 0.00 C ATOM 453 O CYS A 29 0.264 5.511 -1.194 1.00 0.00 O ATOM 454 CB CYS A 29 3.218 5.106 -1.744 1.00 0.00 C ATOM 455 SG CYS A 29 5.005 4.720 -1.628 1.00 0.00 S ATOM 0 H CYS A 29 1.208 3.294 -2.319 1.00 0.00 H new ATOM 0 HA CYS A 29 2.875 3.962 0.032 1.00 0.00 H new ATOM 0 HB2 CYS A 29 2.901 4.959 -2.776 1.00 0.00 H new ATOM 0 HB3 CYS A 29 3.079 6.162 -1.515 1.00 0.00 H new ATOM 460 N PRO A 30 1.063 5.487 0.913 1.00 0.00 N ATOM 461 CA PRO A 30 -0.011 6.309 1.463 1.00 0.00 C ATOM 462 C PRO A 30 0.068 7.752 0.989 1.00 0.00 C ATOM 463 O PRO A 30 1.145 8.345 0.945 1.00 0.00 O ATOM 464 CB PRO A 30 0.203 6.236 2.975 1.00 0.00 C ATOM 465 CG PRO A 30 1.640 5.879 3.151 1.00 0.00 C ATOM 466 CD PRO A 30 2.034 5.076 1.941 1.00 0.00 C ATOM 0 HA PRO A 30 -0.991 5.952 1.145 1.00 0.00 H new ATOM 0 HB2 PRO A 30 -0.027 7.189 3.451 1.00 0.00 H new ATOM 0 HB3 PRO A 30 -0.447 5.488 3.429 1.00 0.00 H new ATOM 0 HG2 PRO A 30 2.254 6.775 3.238 1.00 0.00 H new ATOM 0 HG3 PRO A 30 1.787 5.302 4.064 1.00 0.00 H new ATOM 0 HD2 PRO A 30 3.057 5.292 1.634 1.00 0.00 H new ATOM 0 HD3 PRO A 30 1.980 4.005 2.137 1.00 0.00 H new ATOM 474 N ARG A 31 -1.078 8.312 0.643 1.00 0.00 N ATOM 475 CA ARG A 31 -1.137 9.691 0.180 1.00 0.00 C ATOM 476 C ARG A 31 -0.995 10.655 1.350 1.00 0.00 C ATOM 477 O ARG A 31 -0.203 11.597 1.284 1.00 0.00 O ATOM 478 CB ARG A 31 -2.449 9.954 -0.571 1.00 0.00 C ATOM 479 CG ARG A 31 -2.780 11.433 -0.757 1.00 0.00 C ATOM 480 CD ARG A 31 -1.695 12.178 -1.528 1.00 0.00 C ATOM 481 NE ARG A 31 -1.950 13.624 -1.571 1.00 0.00 N ATOM 482 CZ ARG A 31 -1.877 14.430 -0.504 1.00 0.00 C ATOM 483 NH1 ARG A 31 -1.414 13.973 0.651 1.00 0.00 N ATOM 484 NH2 ARG A 31 -2.230 15.707 -0.607 1.00 0.00 N ATOM 0 H ARG A 31 -1.980 7.836 0.673 1.00 0.00 H new ATOM 0 HA ARG A 31 -0.307 9.855 -0.507 1.00 0.00 H new ATOM 0 HB2 ARG A 31 -2.395 9.480 -1.551 1.00 0.00 H new ATOM 0 HB3 ARG A 31 -3.266 9.476 -0.030 1.00 0.00 H new ATOM 0 HG2 ARG A 31 -3.728 11.527 -1.287 1.00 0.00 H new ATOM 0 HG3 ARG A 31 -2.913 11.899 0.220 1.00 0.00 H new ATOM 0 HD2 ARG A 31 -0.727 11.994 -1.062 1.00 0.00 H new ATOM 0 HD3 ARG A 31 -1.639 11.789 -2.545 1.00 0.00 H new ATOM 0 HE ARG A 31 -2.198 14.040 -2.469 1.00 0.00 H new ATOM 0 HH11 ARG A 31 -1.111 13.002 0.731 1.00 0.00 H new ATOM 0 HH12 ARG A 31 -1.361 14.592 1.460 1.00 0.00 H new ATOM 0 HH21 ARG A 31 -2.557 16.075 -1.500 1.00 0.00 H new ATOM 0 HH22 ARG A 31 -2.174 16.319 0.207 1.00 0.00 H new ATOM 498 N ARG A 32 -1.779 10.421 2.401 1.00 0.00 N ATOM 499 CA ARG A 32 -1.773 11.274 3.586 1.00 0.00 C ATOM 500 C ARG A 32 -2.212 12.687 3.223 1.00 0.00 C ATOM 501 O ARG A 32 -3.261 12.820 2.562 1.00 0.00 O ATOM 502 CB ARG A 32 -0.390 11.301 4.243 1.00 0.00 C ATOM 503 CG ARG A 32 -0.027 10.016 4.964 1.00 0.00 C ATOM 504 CD ARG A 32 1.338 10.125 5.625 1.00 0.00 C ATOM 505 NE ARG A 32 1.455 11.324 6.463 1.00 0.00 N ATOM 506 CZ ARG A 32 0.793 11.516 7.608 1.00 0.00 C ATOM 507 NH1 ARG A 32 0.014 10.558 8.106 1.00 0.00 N ATOM 508 NH2 ARG A 32 0.921 12.668 8.260 1.00 0.00 N ATOM 509 OXT ARG A 32 -1.492 13.647 3.571 1.00 0.00 O ATOM 0 H ARG A 32 -2.432 9.639 2.454 1.00 0.00 H new ATOM 0 HA ARG A 32 -2.479 10.857 4.304 1.00 0.00 H new ATOM 0 HB2 ARG A 32 0.361 11.502 3.479 1.00 0.00 H new ATOM 0 HB3 ARG A 32 -0.352 12.128 4.953 1.00 0.00 H new ATOM 0 HG2 ARG A 32 -0.782 9.792 5.717 1.00 0.00 H new ATOM 0 HG3 ARG A 32 -0.027 9.186 4.257 1.00 0.00 H new ATOM 0 HD2 ARG A 32 1.516 9.239 6.235 1.00 0.00 H new ATOM 0 HD3 ARG A 32 2.111 10.144 4.857 1.00 0.00 H new ATOM 0 HE ARG A 32 2.085 12.062 6.150 1.00 0.00 H new ATOM 0 HH11 ARG A 32 -0.081 9.670 7.613 1.00 0.00 H new ATOM 0 HH12 ARG A 32 -0.488 10.712 8.980 1.00 0.00 H new ATOM 0 HH21 ARG A 32 1.523 13.402 7.886 1.00 0.00 H new ATOM 0 HH22 ARG A 32 0.417 12.818 9.134 1.00 0.00 H new TER 523 ARG A 32