USER MOD reduce.3.24.130724 H: found=0, std=0, add=264, rem=0, adj=5 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 Set 1.1: A 5 TYR OH : rot -71:sc= 2.27 USER MOD Set 1.2: A 12 LYS NZ :NH3+ -124:sc= 1.25 (180deg=-0.0214) USER MOD Single : A 1 GLY N :NH3+ 176:sc= 0.392 (180deg=0.351) USER MOD Single : A 8 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 10 HIS : no HD1:sc= -0.566 K(o=-0.57,f=-1.4) USER MOD Single : A 20 THR OG1 : rot 180:sc= 0.03 USER MOD Single : A 27 TYR OH : rot 180:sc= 0 USER MOD ----------------------------------------------------------------- ATOM 1 N GLY A 1 2.580 11.210 1.303 1.00 0.00 N ATOM 2 CA GLY A 1 3.478 10.077 0.967 1.00 0.00 C ATOM 3 C GLY A 1 4.740 10.099 1.797 1.00 0.00 C ATOM 4 O GLY A 1 5.841 10.104 1.253 1.00 0.00 O ATOM 0 H1 GLY A 1 1.757 11.201 0.667 1.00 0.00 H new ATOM 0 H2 GLY A 1 2.258 11.118 2.288 1.00 0.00 H new ATOM 0 H3 GLY A 1 3.095 12.106 1.190 1.00 0.00 H new ATOM 0 HA2 GLY A 1 2.952 9.136 1.129 1.00 0.00 H new ATOM 0 HA3 GLY A 1 3.737 10.120 -0.091 1.00 0.00 H new ATOM 10 N LEU A 2 4.578 10.135 3.116 1.00 0.00 N ATOM 11 CA LEU A 2 5.717 10.179 4.032 1.00 0.00 C ATOM 12 C LEU A 2 6.570 8.917 3.945 1.00 0.00 C ATOM 13 O LEU A 2 7.794 8.984 4.016 1.00 0.00 O ATOM 14 CB LEU A 2 5.247 10.395 5.477 1.00 0.00 C ATOM 15 CG LEU A 2 4.912 11.844 5.859 1.00 0.00 C ATOM 16 CD1 LEU A 2 6.087 12.762 5.557 1.00 0.00 C ATOM 17 CD2 LEU A 2 3.657 12.326 5.144 1.00 0.00 C ATOM 0 H LEU A 2 3.668 10.135 3.577 1.00 0.00 H new ATOM 0 HA LEU A 2 6.337 11.023 3.728 1.00 0.00 H new ATOM 0 HB2 LEU A 2 4.363 9.780 5.648 1.00 0.00 H new ATOM 0 HB3 LEU A 2 6.023 10.031 6.150 1.00 0.00 H new ATOM 0 HG LEU A 2 4.718 11.872 6.931 1.00 0.00 H new ATOM 0 HD11 LEU A 2 5.831 13.784 5.834 1.00 0.00 H new ATOM 0 HD12 LEU A 2 6.957 12.439 6.128 1.00 0.00 H new ATOM 0 HD13 LEU A 2 6.316 12.722 4.492 1.00 0.00 H new ATOM 0 HD21 LEU A 2 3.445 13.355 5.435 1.00 0.00 H new ATOM 0 HD22 LEU A 2 3.811 12.278 4.066 1.00 0.00 H new ATOM 0 HD23 LEU A 2 2.815 11.691 5.419 1.00 0.00 H new ATOM 29 N LEU A 3 5.922 7.770 3.796 1.00 0.00 N ATOM 30 CA LEU A 3 6.636 6.503 3.709 1.00 0.00 C ATOM 31 C LEU A 3 5.764 5.437 3.057 1.00 0.00 C ATOM 32 O LEU A 3 4.585 5.310 3.376 1.00 0.00 O ATOM 33 CB LEU A 3 7.068 6.041 5.106 1.00 0.00 C ATOM 34 CG LEU A 3 7.883 4.746 5.148 1.00 0.00 C ATOM 35 CD1 LEU A 3 9.222 4.929 4.449 1.00 0.00 C ATOM 36 CD2 LEU A 3 8.087 4.291 6.585 1.00 0.00 C ATOM 0 H LEU A 3 4.907 7.690 3.733 1.00 0.00 H new ATOM 0 HA LEU A 3 7.523 6.652 3.093 1.00 0.00 H new ATOM 0 HB2 LEU A 3 7.656 6.835 5.567 1.00 0.00 H new ATOM 0 HB3 LEU A 3 6.176 5.909 5.718 1.00 0.00 H new ATOM 0 HG LEU A 3 7.325 3.974 4.618 1.00 0.00 H new ATOM 0 HD11 LEU A 3 9.785 3.996 4.491 1.00 0.00 H new ATOM 0 HD12 LEU A 3 9.054 5.205 3.408 1.00 0.00 H new ATOM 0 HD13 LEU A 3 9.788 5.717 4.947 1.00 0.00 H new ATOM 0 HD21 LEU A 3 8.668 3.369 6.596 1.00 0.00 H new ATOM 0 HD22 LEU A 3 8.621 5.063 7.139 1.00 0.00 H new ATOM 0 HD23 LEU A 3 7.118 4.114 7.052 1.00 0.00 H new ATOM 48 N CYS A 4 6.359 4.674 2.155 1.00 0.00 N ATOM 49 CA CYS A 4 5.656 3.605 1.459 1.00 0.00 C ATOM 50 C CYS A 4 5.759 2.313 2.259 1.00 0.00 C ATOM 51 O CYS A 4 6.648 2.177 3.101 1.00 0.00 O ATOM 52 CB CYS A 4 6.240 3.409 0.062 1.00 0.00 C ATOM 53 SG CYS A 4 6.104 4.873 -1.015 1.00 0.00 S ATOM 0 H CYS A 4 7.337 4.776 1.885 1.00 0.00 H new ATOM 0 HA CYS A 4 4.605 3.878 1.360 1.00 0.00 H new ATOM 0 HB2 CYS A 4 7.291 3.136 0.155 1.00 0.00 H new ATOM 0 HB3 CYS A 4 5.734 2.571 -0.417 1.00 0.00 H new ATOM 58 N TYR A 5 4.858 1.369 2.014 1.00 0.00 N ATOM 59 CA TYR A 5 4.876 0.117 2.742 1.00 0.00 C ATOM 60 C TYR A 5 4.170 -0.997 1.980 1.00 0.00 C ATOM 61 O TYR A 5 3.397 -0.758 1.049 1.00 0.00 O ATOM 62 CB TYR A 5 4.249 0.296 4.133 1.00 0.00 C ATOM 63 CG TYR A 5 2.866 0.917 4.122 1.00 0.00 C ATOM 64 CD1 TYR A 5 1.767 0.223 3.631 1.00 0.00 C ATOM 65 CD2 TYR A 5 2.662 2.198 4.620 1.00 0.00 C ATOM 66 CE1 TYR A 5 0.508 0.787 3.632 1.00 0.00 C ATOM 67 CE2 TYR A 5 1.403 2.768 4.627 1.00 0.00 C ATOM 68 CZ TYR A 5 0.332 2.059 4.131 1.00 0.00 C ATOM 69 OH TYR A 5 -0.924 2.619 4.143 1.00 0.00 O ATOM 0 H TYR A 5 4.113 1.450 1.322 1.00 0.00 H new ATOM 0 HA TYR A 5 5.919 -0.177 2.857 1.00 0.00 H new ATOM 0 HB2 TYR A 5 4.193 -0.677 4.621 1.00 0.00 H new ATOM 0 HB3 TYR A 5 4.908 0.918 4.738 1.00 0.00 H new ATOM 0 HD1 TYR A 5 1.901 -0.775 3.242 1.00 0.00 H new ATOM 0 HD2 TYR A 5 3.501 2.757 5.008 1.00 0.00 H new ATOM 0 HE1 TYR A 5 -0.335 0.234 3.244 1.00 0.00 H new ATOM 0 HE2 TYR A 5 1.260 3.764 5.019 1.00 0.00 H new ATOM 0 HH TYR A 5 -1.195 2.833 3.226 1.00 0.00 H new ATOM 79 N CYS A 6 4.459 -2.208 2.402 1.00 0.00 N ATOM 80 CA CYS A 6 3.891 -3.416 1.824 1.00 0.00 C ATOM 81 C CYS A 6 2.628 -3.817 2.581 1.00 0.00 C ATOM 82 O CYS A 6 2.553 -3.642 3.797 1.00 0.00 O ATOM 83 CB CYS A 6 4.935 -4.534 1.894 1.00 0.00 C ATOM 84 SG CYS A 6 4.338 -6.176 1.390 1.00 0.00 S ATOM 0 H CYS A 6 5.106 -2.389 3.169 1.00 0.00 H new ATOM 0 HA CYS A 6 3.620 -3.236 0.784 1.00 0.00 H new ATOM 0 HB2 CYS A 6 5.780 -4.261 1.262 1.00 0.00 H new ATOM 0 HB3 CYS A 6 5.309 -4.598 2.916 1.00 0.00 H new ATOM 89 N ARG A 7 1.639 -4.359 1.876 1.00 0.00 N ATOM 90 CA ARG A 7 0.405 -4.781 2.523 1.00 0.00 C ATOM 91 C ARG A 7 -0.239 -5.929 1.763 1.00 0.00 C ATOM 92 O ARG A 7 -0.351 -5.897 0.539 1.00 0.00 O ATOM 93 CB ARG A 7 -0.590 -3.622 2.655 1.00 0.00 C ATOM 94 CG ARG A 7 -1.811 -3.988 3.490 1.00 0.00 C ATOM 95 CD ARG A 7 -2.735 -2.801 3.714 1.00 0.00 C ATOM 96 NE ARG A 7 -3.826 -3.125 4.643 1.00 0.00 N ATOM 97 CZ ARG A 7 -4.861 -3.922 4.346 1.00 0.00 C ATOM 98 NH1 ARG A 7 -5.022 -4.386 3.114 1.00 0.00 N ATOM 99 NH2 ARG A 7 -5.753 -4.229 5.284 1.00 0.00 N ATOM 0 H ARG A 7 1.668 -4.514 0.868 1.00 0.00 H new ATOM 0 HA ARG A 7 0.668 -5.120 3.525 1.00 0.00 H new ATOM 0 HB2 ARG A 7 -0.088 -2.767 3.108 1.00 0.00 H new ATOM 0 HB3 ARG A 7 -0.914 -3.312 1.662 1.00 0.00 H new ATOM 0 HG2 ARG A 7 -2.362 -4.786 2.993 1.00 0.00 H new ATOM 0 HG3 ARG A 7 -1.485 -4.379 4.454 1.00 0.00 H new ATOM 0 HD2 ARG A 7 -2.160 -1.962 4.107 1.00 0.00 H new ATOM 0 HD3 ARG A 7 -3.153 -2.481 2.760 1.00 0.00 H new ATOM 0 HE ARG A 7 -3.793 -2.716 5.577 1.00 0.00 H new ATOM 0 HH11 ARG A 7 -4.355 -4.137 2.384 1.00 0.00 H new ATOM 0 HH12 ARG A 7 -5.813 -4.992 2.897 1.00 0.00 H new ATOM 0 HH21 ARG A 7 -5.649 -3.858 6.228 1.00 0.00 H new ATOM 0 HH22 ARG A 7 -6.541 -4.836 5.059 1.00 0.00 H new ATOM 113 N LYS A 8 -0.659 -6.939 2.505 1.00 0.00 N ATOM 114 CA LYS A 8 -1.299 -8.106 1.925 1.00 0.00 C ATOM 115 C LYS A 8 -2.726 -7.778 1.494 1.00 0.00 C ATOM 116 O LYS A 8 -3.448 -7.056 2.188 1.00 0.00 O ATOM 117 CB LYS A 8 -1.301 -9.257 2.937 1.00 0.00 C ATOM 118 CG LYS A 8 -1.704 -10.599 2.347 1.00 0.00 C ATOM 119 CD LYS A 8 -1.518 -11.723 3.355 1.00 0.00 C ATOM 120 CE LYS A 8 -1.749 -13.086 2.722 1.00 0.00 C ATOM 121 NZ LYS A 8 -1.454 -14.195 3.671 1.00 0.00 N ATOM 0 H LYS A 8 -0.567 -6.973 3.520 1.00 0.00 H new ATOM 0 HA LYS A 8 -0.736 -8.410 1.042 1.00 0.00 H new ATOM 0 HB2 LYS A 8 -0.305 -9.347 3.371 1.00 0.00 H new ATOM 0 HB3 LYS A 8 -1.983 -9.010 3.751 1.00 0.00 H new ATOM 0 HG2 LYS A 8 -2.746 -10.561 2.029 1.00 0.00 H new ATOM 0 HG3 LYS A 8 -1.107 -10.802 1.458 1.00 0.00 H new ATOM 0 HD2 LYS A 8 -0.510 -11.679 3.768 1.00 0.00 H new ATOM 0 HD3 LYS A 8 -2.209 -11.585 4.186 1.00 0.00 H new ATOM 0 HE2 LYS A 8 -2.784 -13.160 2.387 1.00 0.00 H new ATOM 0 HE3 LYS A 8 -1.120 -13.187 1.838 1.00 0.00 H new ATOM 0 HZ1 LYS A 8 -1.624 -15.108 3.202 1.00 0.00 H new ATOM 0 HZ2 LYS A 8 -0.460 -14.140 3.971 1.00 0.00 H new ATOM 0 HZ3 LYS A 8 -2.072 -14.113 4.503 1.00 0.00 H new ATOM 135 N GLY A 9 -3.123 -8.311 0.351 1.00 0.00 N ATOM 136 CA GLY A 9 -4.458 -8.081 -0.159 1.00 0.00 C ATOM 137 C GLY A 9 -4.550 -6.881 -1.069 1.00 0.00 C ATOM 138 O GLY A 9 -4.837 -7.020 -2.259 1.00 0.00 O ATOM 0 H GLY A 9 -2.539 -8.904 -0.238 1.00 0.00 H new ATOM 0 HA2 GLY A 9 -4.790 -8.966 -0.702 1.00 0.00 H new ATOM 0 HA3 GLY A 9 -5.142 -7.946 0.679 1.00 0.00 H new ATOM 142 N HIS A 10 -4.311 -5.702 -0.515 1.00 0.00 N ATOM 143 CA HIS A 10 -4.380 -4.463 -1.284 1.00 0.00 C ATOM 144 C HIS A 10 -4.042 -3.262 -0.405 1.00 0.00 C ATOM 145 O HIS A 10 -3.974 -3.377 0.818 1.00 0.00 O ATOM 146 CB HIS A 10 -5.789 -4.288 -1.875 1.00 0.00 C ATOM 147 CG HIS A 10 -5.876 -3.292 -2.991 1.00 0.00 C ATOM 148 ND1 HIS A 10 -5.194 -3.433 -4.182 1.00 0.00 N ATOM 149 CD2 HIS A 10 -6.575 -2.136 -3.096 1.00 0.00 C ATOM 150 CE1 HIS A 10 -5.469 -2.409 -4.968 1.00 0.00 C ATOM 151 NE2 HIS A 10 -6.304 -1.607 -4.334 1.00 0.00 N ATOM 0 H HIS A 10 -4.067 -5.574 0.467 1.00 0.00 H new ATOM 0 HA HIS A 10 -3.651 -4.522 -2.093 1.00 0.00 H new ATOM 0 HB2 HIS A 10 -6.139 -5.254 -2.239 1.00 0.00 H new ATOM 0 HB3 HIS A 10 -6.468 -3.983 -1.079 1.00 0.00 H new ATOM 0 HD2 HIS A 10 -7.224 -1.710 -2.346 1.00 0.00 H new ATOM 0 HE1 HIS A 10 -5.077 -2.253 -5.962 1.00 0.00 H new ATOM 0 HE2 HIS A 10 -6.686 -0.736 -4.703 1.00 0.00 H new ATOM 160 N CYS A 11 -3.850 -2.117 -1.048 1.00 0.00 N ATOM 161 CA CYS A 11 -3.540 -0.864 -0.364 1.00 0.00 C ATOM 162 C CYS A 11 -4.733 -0.400 0.464 1.00 0.00 C ATOM 163 O CYS A 11 -5.842 -0.919 0.303 1.00 0.00 O ATOM 164 CB CYS A 11 -3.218 0.218 -1.397 1.00 0.00 C ATOM 165 SG CYS A 11 -2.102 -0.330 -2.730 1.00 0.00 S ATOM 0 H CYS A 11 -3.905 -2.029 -2.063 1.00 0.00 H new ATOM 0 HA CYS A 11 -2.685 -1.032 0.291 1.00 0.00 H new ATOM 0 HB2 CYS A 11 -4.150 0.570 -1.840 1.00 0.00 H new ATOM 0 HB3 CYS A 11 -2.766 1.069 -0.887 1.00 0.00 H new ATOM 170 N LYS A 12 -4.522 0.601 1.312 1.00 0.00 N ATOM 171 CA LYS A 12 -5.610 1.146 2.113 1.00 0.00 C ATOM 172 C LYS A 12 -6.566 1.908 1.204 1.00 0.00 C ATOM 173 O LYS A 12 -6.174 2.344 0.116 1.00 0.00 O ATOM 174 CB LYS A 12 -5.096 2.088 3.207 1.00 0.00 C ATOM 175 CG LYS A 12 -4.324 1.410 4.327 1.00 0.00 C ATOM 176 CD LYS A 12 -4.159 2.356 5.511 1.00 0.00 C ATOM 177 CE LYS A 12 -3.396 1.714 6.661 1.00 0.00 C ATOM 178 NZ LYS A 12 -1.939 1.607 6.378 1.00 0.00 N ATOM 0 H LYS A 12 -3.617 1.047 1.461 1.00 0.00 H new ATOM 0 HA LYS A 12 -6.120 0.314 2.599 1.00 0.00 H new ATOM 0 HB2 LYS A 12 -4.454 2.839 2.747 1.00 0.00 H new ATOM 0 HB3 LYS A 12 -5.946 2.616 3.640 1.00 0.00 H new ATOM 0 HG2 LYS A 12 -4.849 0.509 4.644 1.00 0.00 H new ATOM 0 HG3 LYS A 12 -3.345 1.098 3.964 1.00 0.00 H new ATOM 0 HD2 LYS A 12 -3.633 3.254 5.185 1.00 0.00 H new ATOM 0 HD3 LYS A 12 -5.142 2.671 5.861 1.00 0.00 H new ATOM 0 HE2 LYS A 12 -3.546 2.301 7.567 1.00 0.00 H new ATOM 0 HE3 LYS A 12 -3.801 0.721 6.854 1.00 0.00 H new ATOM 0 HZ1 LYS A 12 -1.639 0.615 6.471 1.00 0.00 H new ATOM 0 HZ2 LYS A 12 -1.748 1.937 5.410 1.00 0.00 H new ATOM 0 HZ3 LYS A 12 -1.410 2.193 7.055 1.00 0.00 H new ATOM 192 N ARG A 13 -7.809 2.072 1.643 1.00 0.00 N ATOM 193 CA ARG A 13 -8.810 2.791 0.862 1.00 0.00 C ATOM 194 C ARG A 13 -8.496 4.285 0.845 1.00 0.00 C ATOM 195 O ARG A 13 -9.138 5.089 1.525 1.00 0.00 O ATOM 196 CB ARG A 13 -10.214 2.537 1.417 1.00 0.00 C ATOM 197 CG ARG A 13 -11.322 3.206 0.618 1.00 0.00 C ATOM 198 CD ARG A 13 -12.678 3.027 1.283 1.00 0.00 C ATOM 199 NE ARG A 13 -13.732 3.792 0.610 1.00 0.00 N ATOM 200 CZ ARG A 13 -13.819 5.128 0.617 1.00 0.00 C ATOM 201 NH1 ARG A 13 -12.939 5.857 1.302 1.00 0.00 N ATOM 202 NH2 ARG A 13 -14.795 5.733 -0.052 1.00 0.00 N ATOM 0 H ARG A 13 -8.148 1.716 2.537 1.00 0.00 H new ATOM 0 HA ARG A 13 -8.781 2.421 -0.163 1.00 0.00 H new ATOM 0 HB2 ARG A 13 -10.395 1.462 1.442 1.00 0.00 H new ATOM 0 HB3 ARG A 13 -10.257 2.892 2.447 1.00 0.00 H new ATOM 0 HG2 ARG A 13 -11.105 4.269 0.513 1.00 0.00 H new ATOM 0 HG3 ARG A 13 -11.351 2.786 -0.387 1.00 0.00 H new ATOM 0 HD2 ARG A 13 -12.943 1.970 1.284 1.00 0.00 H new ATOM 0 HD3 ARG A 13 -12.614 3.340 2.325 1.00 0.00 H new ATOM 0 HE ARG A 13 -14.447 3.271 0.102 1.00 0.00 H new ATOM 0 HH11 ARG A 13 -12.194 5.398 1.825 1.00 0.00 H new ATOM 0 HH12 ARG A 13 -13.011 6.874 1.303 1.00 0.00 H new ATOM 0 HH21 ARG A 13 -15.477 5.180 -0.570 1.00 0.00 H new ATOM 0 HH22 ARG A 13 -14.862 6.751 -0.047 1.00 0.00 H new ATOM 216 N GLY A 14 -7.485 4.631 0.076 1.00 0.00 N ATOM 217 CA GLY A 14 -7.048 6.000 -0.031 1.00 0.00 C ATOM 218 C GLY A 14 -5.605 6.081 -0.471 1.00 0.00 C ATOM 219 O GLY A 14 -5.144 7.125 -0.928 1.00 0.00 O ATOM 0 H GLY A 14 -6.948 3.972 -0.488 1.00 0.00 H new ATOM 0 HA2 GLY A 14 -7.679 6.531 -0.744 1.00 0.00 H new ATOM 0 HA3 GLY A 14 -7.166 6.498 0.931 1.00 0.00 H new ATOM 223 N ASP A 15 -4.888 4.970 -0.332 1.00 0.00 N ATOM 224 CA ASP A 15 -3.483 4.909 -0.713 1.00 0.00 C ATOM 225 C ASP A 15 -3.338 4.758 -2.224 1.00 0.00 C ATOM 226 O ASP A 15 -4.309 4.905 -2.969 1.00 0.00 O ATOM 227 CB ASP A 15 -2.796 3.746 0.011 1.00 0.00 C ATOM 228 CG ASP A 15 -2.537 4.048 1.474 1.00 0.00 C ATOM 229 OD1 ASP A 15 -3.470 4.500 2.172 1.00 0.00 O ATOM 230 OD2 ASP A 15 -1.405 3.825 1.939 1.00 0.00 O ATOM 0 H ASP A 15 -5.260 4.097 0.043 1.00 0.00 H new ATOM 0 HA ASP A 15 -3.002 5.842 -0.420 1.00 0.00 H new ATOM 0 HB2 ASP A 15 -3.418 2.854 -0.069 1.00 0.00 H new ATOM 0 HB3 ASP A 15 -1.851 3.521 -0.484 1.00 0.00 H new ATOM 235 N ARG A 16 -2.130 4.465 -2.673 1.00 0.00 N ATOM 236 CA ARG A 16 -1.866 4.293 -4.094 1.00 0.00 C ATOM 237 C ARG A 16 -0.949 3.101 -4.319 1.00 0.00 C ATOM 238 O ARG A 16 0.042 2.927 -3.609 1.00 0.00 O ATOM 239 CB ARG A 16 -1.244 5.559 -4.690 1.00 0.00 C ATOM 240 CG ARG A 16 -0.961 5.453 -6.180 1.00 0.00 C ATOM 241 CD ARG A 16 -0.423 6.758 -6.748 1.00 0.00 C ATOM 242 NE ARG A 16 -0.102 6.653 -8.175 1.00 0.00 N ATOM 243 CZ ARG A 16 -1.006 6.484 -9.149 1.00 0.00 C ATOM 244 NH1 ARG A 16 -2.304 6.438 -8.863 1.00 0.00 N ATOM 245 NH2 ARG A 16 -0.607 6.374 -10.412 1.00 0.00 N ATOM 0 H ARG A 16 -1.314 4.341 -2.074 1.00 0.00 H new ATOM 0 HA ARG A 16 -2.815 4.108 -4.597 1.00 0.00 H new ATOM 0 HB2 ARG A 16 -1.914 6.401 -4.515 1.00 0.00 H new ATOM 0 HB3 ARG A 16 -0.313 5.778 -4.166 1.00 0.00 H new ATOM 0 HG2 ARG A 16 -0.240 4.655 -6.357 1.00 0.00 H new ATOM 0 HG3 ARG A 16 -1.876 5.178 -6.705 1.00 0.00 H new ATOM 0 HD2 ARG A 16 -1.160 7.547 -6.601 1.00 0.00 H new ATOM 0 HD3 ARG A 16 0.471 7.050 -6.197 1.00 0.00 H new ATOM 0 HE ARG A 16 0.880 6.713 -8.445 1.00 0.00 H new ATOM 0 HH11 ARG A 16 -2.617 6.532 -7.897 1.00 0.00 H new ATOM 0 HH12 ARG A 16 -2.987 6.309 -9.610 1.00 0.00 H new ATOM 0 HH21 ARG A 16 0.387 6.418 -10.639 1.00 0.00 H new ATOM 0 HH22 ARG A 16 -1.294 6.245 -11.155 1.00 0.00 H new ATOM 259 N VAL A 17 -1.298 2.281 -5.299 1.00 0.00 N ATOM 260 CA VAL A 17 -0.525 1.093 -5.625 1.00 0.00 C ATOM 261 C VAL A 17 0.765 1.454 -6.356 1.00 0.00 C ATOM 262 O VAL A 17 0.765 2.289 -7.261 1.00 0.00 O ATOM 263 CB VAL A 17 -1.335 0.119 -6.511 1.00 0.00 C ATOM 264 CG1 VAL A 17 -0.659 -1.243 -6.579 1.00 0.00 C ATOM 265 CG2 VAL A 17 -2.767 -0.014 -6.013 1.00 0.00 C ATOM 0 H VAL A 17 -2.120 2.419 -5.887 1.00 0.00 H new ATOM 0 HA VAL A 17 -0.285 0.609 -4.678 1.00 0.00 H new ATOM 0 HB VAL A 17 -1.367 0.534 -7.519 1.00 0.00 H new ATOM 0 HG11 VAL A 17 -1.248 -1.910 -7.208 1.00 0.00 H new ATOM 0 HG12 VAL A 17 0.340 -1.133 -7.002 1.00 0.00 H new ATOM 0 HG13 VAL A 17 -0.584 -1.662 -5.576 1.00 0.00 H new ATOM 0 HG21 VAL A 17 -3.313 -0.705 -6.655 1.00 0.00 H new ATOM 0 HG22 VAL A 17 -2.763 -0.394 -4.991 1.00 0.00 H new ATOM 0 HG23 VAL A 17 -3.252 0.962 -6.035 1.00 0.00 H new ATOM 275 N ARG A 18 1.849 0.801 -5.970 1.00 0.00 N ATOM 276 CA ARG A 18 3.144 1.013 -6.595 1.00 0.00 C ATOM 277 C ARG A 18 3.530 -0.213 -7.403 1.00 0.00 C ATOM 278 O ARG A 18 4.053 -0.106 -8.510 1.00 0.00 O ATOM 279 CB ARG A 18 4.216 1.301 -5.548 1.00 0.00 C ATOM 280 CG ARG A 18 4.384 2.772 -5.223 1.00 0.00 C ATOM 281 CD ARG A 18 5.029 3.530 -6.375 1.00 0.00 C ATOM 282 NE ARG A 18 5.465 4.873 -5.979 1.00 0.00 N ATOM 283 CZ ARG A 18 6.477 5.117 -5.136 1.00 0.00 C ATOM 284 NH1 ARG A 18 7.202 4.115 -4.645 1.00 0.00 N ATOM 285 NH2 ARG A 18 6.772 6.368 -4.797 1.00 0.00 N ATOM 0 H ARG A 18 1.856 0.112 -5.218 1.00 0.00 H new ATOM 0 HA ARG A 18 3.070 1.877 -7.255 1.00 0.00 H new ATOM 0 HB2 ARG A 18 3.968 0.764 -4.633 1.00 0.00 H new ATOM 0 HB3 ARG A 18 5.169 0.907 -5.901 1.00 0.00 H new ATOM 0 HG2 ARG A 18 3.411 3.209 -4.999 1.00 0.00 H new ATOM 0 HG3 ARG A 18 4.996 2.880 -4.328 1.00 0.00 H new ATOM 0 HD2 ARG A 18 5.885 2.966 -6.745 1.00 0.00 H new ATOM 0 HD3 ARG A 18 4.319 3.608 -7.199 1.00 0.00 H new ATOM 0 HE ARG A 18 4.966 5.672 -6.370 1.00 0.00 H new ATOM 0 HH11 ARG A 18 6.989 3.153 -4.910 1.00 0.00 H new ATOM 0 HH12 ARG A 18 7.971 4.309 -4.004 1.00 0.00 H new ATOM 0 HH21 ARG A 18 6.228 7.142 -5.179 1.00 0.00 H new ATOM 0 HH22 ARG A 18 7.543 6.554 -4.155 1.00 0.00 H new ATOM 299 N GLY A 19 3.260 -1.375 -6.834 1.00 0.00 N ATOM 300 CA GLY A 19 3.571 -2.620 -7.505 1.00 0.00 C ATOM 301 C GLY A 19 3.308 -3.824 -6.628 1.00 0.00 C ATOM 302 O GLY A 19 2.494 -3.763 -5.708 1.00 0.00 O ATOM 0 H GLY A 19 2.829 -1.480 -5.915 1.00 0.00 H new ATOM 0 HA2 GLY A 19 2.976 -2.699 -8.415 1.00 0.00 H new ATOM 0 HA3 GLY A 19 4.618 -2.615 -7.808 1.00 0.00 H new ATOM 306 N THR A 20 4.000 -4.914 -6.905 1.00 0.00 N ATOM 307 CA THR A 20 3.847 -6.138 -6.138 1.00 0.00 C ATOM 308 C THR A 20 4.873 -6.212 -5.014 1.00 0.00 C ATOM 309 O THR A 20 5.945 -5.614 -5.102 1.00 0.00 O ATOM 310 CB THR A 20 3.981 -7.374 -7.042 1.00 0.00 C ATOM 311 OG1 THR A 20 5.082 -7.197 -7.943 1.00 0.00 O ATOM 312 CG2 THR A 20 2.702 -7.610 -7.832 1.00 0.00 C ATOM 0 H THR A 20 4.680 -4.977 -7.663 1.00 0.00 H new ATOM 0 HA THR A 20 2.848 -6.126 -5.702 1.00 0.00 H new ATOM 0 HB THR A 20 4.161 -8.245 -6.411 1.00 0.00 H new ATOM 0 HG1 THR A 20 5.166 -7.987 -8.517 1.00 0.00 H new ATOM 0 HG21 THR A 20 2.822 -8.490 -8.464 1.00 0.00 H new ATOM 0 HG22 THR A 20 1.873 -7.769 -7.143 1.00 0.00 H new ATOM 0 HG23 THR A 20 2.494 -6.741 -8.456 1.00 0.00 H new ATOM 320 N CYS A 21 4.537 -6.936 -3.959 1.00 0.00 N ATOM 321 CA CYS A 21 5.426 -7.078 -2.818 1.00 0.00 C ATOM 322 C CYS A 21 5.785 -8.540 -2.589 1.00 0.00 C ATOM 323 O CYS A 21 6.954 -8.891 -2.450 1.00 0.00 O ATOM 324 CB CYS A 21 4.753 -6.502 -1.577 1.00 0.00 C ATOM 325 SG CYS A 21 5.671 -6.748 -0.026 1.00 0.00 S ATOM 0 H CYS A 21 3.652 -7.436 -3.869 1.00 0.00 H new ATOM 0 HA CYS A 21 6.347 -6.532 -3.020 1.00 0.00 H new ATOM 0 HB2 CYS A 21 4.601 -5.433 -1.727 1.00 0.00 H new ATOM 0 HB3 CYS A 21 3.766 -6.953 -1.474 1.00 0.00 H new ATOM 330 N GLY A 22 4.771 -9.391 -2.557 1.00 0.00 N ATOM 331 CA GLY A 22 5.006 -10.805 -2.345 1.00 0.00 C ATOM 332 C GLY A 22 3.767 -11.640 -2.579 1.00 0.00 C ATOM 333 O GLY A 22 2.894 -11.249 -3.356 1.00 0.00 O ATOM 0 H GLY A 22 3.792 -9.130 -2.674 1.00 0.00 H new ATOM 0 HA2 GLY A 22 5.799 -11.142 -3.013 1.00 0.00 H new ATOM 0 HA3 GLY A 22 5.359 -10.962 -1.326 1.00 0.00 H new ATOM 337 N ILE A 23 3.699 -12.785 -1.904 1.00 0.00 N ATOM 338 CA ILE A 23 2.570 -13.713 -2.019 1.00 0.00 C ATOM 339 C ILE A 23 1.252 -13.062 -1.592 1.00 0.00 C ATOM 340 O ILE A 23 0.826 -13.166 -0.440 1.00 0.00 O ATOM 341 CB ILE A 23 2.797 -15.029 -1.221 1.00 0.00 C ATOM 342 CG1 ILE A 23 3.199 -14.763 0.246 1.00 0.00 C ATOM 343 CG2 ILE A 23 3.840 -15.893 -1.917 1.00 0.00 C ATOM 344 CD1 ILE A 23 4.655 -14.385 0.452 1.00 0.00 C ATOM 0 H ILE A 23 4.425 -13.099 -1.260 1.00 0.00 H new ATOM 0 HA ILE A 23 2.503 -13.971 -3.076 1.00 0.00 H new ATOM 0 HB ILE A 23 1.848 -15.564 -1.197 1.00 0.00 H new ATOM 0 HG12 ILE A 23 2.572 -13.963 0.640 1.00 0.00 H new ATOM 0 HG13 ILE A 23 2.984 -15.655 0.834 1.00 0.00 H new ATOM 0 HG21 ILE A 23 3.990 -16.811 -1.349 1.00 0.00 H new ATOM 0 HG22 ILE A 23 3.496 -16.140 -2.921 1.00 0.00 H new ATOM 0 HG23 ILE A 23 4.781 -15.347 -1.980 1.00 0.00 H new ATOM 0 HD11 ILE A 23 4.841 -14.218 1.513 1.00 0.00 H new ATOM 0 HD12 ILE A 23 5.295 -15.192 0.094 1.00 0.00 H new ATOM 0 HD13 ILE A 23 4.876 -13.473 -0.103 1.00 0.00 H new ATOM 356 N ARG A 24 0.634 -12.376 -2.547 1.00 0.00 N ATOM 357 CA ARG A 24 -0.620 -11.660 -2.347 1.00 0.00 C ATOM 358 C ARG A 24 -0.375 -10.389 -1.530 1.00 0.00 C ATOM 359 O ARG A 24 -1.265 -9.884 -0.849 1.00 0.00 O ATOM 360 CB ARG A 24 -1.686 -12.555 -1.691 1.00 0.00 C ATOM 361 CG ARG A 24 -3.096 -11.978 -1.752 1.00 0.00 C ATOM 362 CD ARG A 24 -4.124 -12.944 -1.180 1.00 0.00 C ATOM 363 NE ARG A 24 -4.261 -14.159 -1.992 1.00 0.00 N ATOM 364 CZ ARG A 24 -4.825 -14.196 -3.204 1.00 0.00 C ATOM 365 NH1 ARG A 24 -5.351 -13.097 -3.738 1.00 0.00 N ATOM 366 NH2 ARG A 24 -4.873 -15.343 -3.877 1.00 0.00 N ATOM 0 H ARG A 24 0.997 -12.301 -3.497 1.00 0.00 H new ATOM 0 HA ARG A 24 -1.009 -11.372 -3.324 1.00 0.00 H new ATOM 0 HB2 ARG A 24 -1.681 -13.529 -2.180 1.00 0.00 H new ATOM 0 HB3 ARG A 24 -1.416 -12.721 -0.648 1.00 0.00 H new ATOM 0 HG2 ARG A 24 -3.130 -11.040 -1.198 1.00 0.00 H new ATOM 0 HG3 ARG A 24 -3.350 -11.746 -2.786 1.00 0.00 H new ATOM 0 HD2 ARG A 24 -3.836 -13.219 -0.165 1.00 0.00 H new ATOM 0 HD3 ARG A 24 -5.090 -12.444 -1.112 1.00 0.00 H new ATOM 0 HE ARG A 24 -3.902 -15.033 -1.606 1.00 0.00 H new ATOM 0 HH11 ARG A 24 -5.326 -12.217 -3.222 1.00 0.00 H new ATOM 0 HH12 ARG A 24 -5.779 -13.134 -4.663 1.00 0.00 H new ATOM 0 HH21 ARG A 24 -4.480 -16.191 -3.468 1.00 0.00 H new ATOM 0 HH22 ARG A 24 -5.303 -15.374 -4.802 1.00 0.00 H new ATOM 380 N PHE A 25 0.833 -9.846 -1.650 1.00 0.00 N ATOM 381 CA PHE A 25 1.181 -8.601 -0.979 1.00 0.00 C ATOM 382 C PHE A 25 1.455 -7.560 -2.042 1.00 0.00 C ATOM 383 O PHE A 25 2.125 -7.850 -3.037 1.00 0.00 O ATOM 384 CB PHE A 25 2.425 -8.714 -0.085 1.00 0.00 C ATOM 385 CG PHE A 25 2.282 -9.580 1.137 1.00 0.00 C ATOM 386 CD1 PHE A 25 2.115 -10.948 1.031 1.00 0.00 C ATOM 387 CD2 PHE A 25 2.348 -9.016 2.401 1.00 0.00 C ATOM 388 CE1 PHE A 25 2.007 -11.737 2.159 1.00 0.00 C ATOM 389 CE2 PHE A 25 2.245 -9.800 3.534 1.00 0.00 C ATOM 390 CZ PHE A 25 2.073 -11.163 3.412 1.00 0.00 C ATOM 0 H PHE A 25 1.586 -10.250 -2.206 1.00 0.00 H new ATOM 0 HA PHE A 25 0.345 -8.334 -0.333 1.00 0.00 H new ATOM 0 HB2 PHE A 25 3.247 -9.102 -0.687 1.00 0.00 H new ATOM 0 HB3 PHE A 25 2.710 -7.712 0.235 1.00 0.00 H new ATOM 0 HD1 PHE A 25 2.068 -11.405 0.054 1.00 0.00 H new ATOM 0 HD2 PHE A 25 2.482 -7.949 2.502 1.00 0.00 H new ATOM 0 HE1 PHE A 25 1.871 -12.804 2.060 1.00 0.00 H new ATOM 0 HE2 PHE A 25 2.299 -9.347 4.513 1.00 0.00 H new ATOM 0 HZ PHE A 25 1.990 -11.779 4.295 1.00 0.00 H new ATOM 400 N LEU A 26 0.951 -6.364 -1.846 1.00 0.00 N ATOM 401 CA LEU A 26 1.158 -5.299 -2.804 1.00 0.00 C ATOM 402 C LEU A 26 1.972 -4.181 -2.187 1.00 0.00 C ATOM 403 O LEU A 26 1.828 -3.867 -1.003 1.00 0.00 O ATOM 404 CB LEU A 26 -0.167 -4.736 -3.327 1.00 0.00 C ATOM 405 CG LEU A 26 -0.997 -5.674 -4.214 1.00 0.00 C ATOM 406 CD1 LEU A 26 -1.691 -6.749 -3.390 1.00 0.00 C ATOM 407 CD2 LEU A 26 -2.015 -4.878 -5.016 1.00 0.00 C ATOM 0 H LEU A 26 0.394 -6.102 -1.032 1.00 0.00 H new ATOM 0 HA LEU A 26 1.702 -5.727 -3.646 1.00 0.00 H new ATOM 0 HB2 LEU A 26 -0.777 -4.444 -2.472 1.00 0.00 H new ATOM 0 HB3 LEU A 26 0.045 -3.828 -3.892 1.00 0.00 H new ATOM 0 HG LEU A 26 -0.316 -6.173 -4.904 1.00 0.00 H new ATOM 0 HD11 LEU A 26 -2.270 -7.396 -4.049 1.00 0.00 H new ATOM 0 HD12 LEU A 26 -0.944 -7.343 -2.864 1.00 0.00 H new ATOM 0 HD13 LEU A 26 -2.357 -6.279 -2.666 1.00 0.00 H new ATOM 0 HD21 LEU A 26 -2.597 -5.556 -5.641 1.00 0.00 H new ATOM 0 HD22 LEU A 26 -2.682 -4.350 -4.335 1.00 0.00 H new ATOM 0 HD23 LEU A 26 -1.497 -4.157 -5.648 1.00 0.00 H new ATOM 419 N TYR A 27 2.801 -3.572 -3.005 1.00 0.00 N ATOM 420 CA TYR A 27 3.619 -2.457 -2.575 1.00 0.00 C ATOM 421 C TYR A 27 2.830 -1.184 -2.828 1.00 0.00 C ATOM 422 O TYR A 27 2.428 -0.920 -3.966 1.00 0.00 O ATOM 423 CB TYR A 27 4.948 -2.444 -3.339 1.00 0.00 C ATOM 424 CG TYR A 27 5.869 -1.299 -2.972 1.00 0.00 C ATOM 425 CD1 TYR A 27 6.051 -0.915 -1.648 1.00 0.00 C ATOM 426 CD2 TYR A 27 6.555 -0.602 -3.957 1.00 0.00 C ATOM 427 CE1 TYR A 27 6.891 0.133 -1.320 1.00 0.00 C ATOM 428 CE2 TYR A 27 7.397 0.445 -3.636 1.00 0.00 C ATOM 429 CZ TYR A 27 7.562 0.809 -2.318 1.00 0.00 C ATOM 430 OH TYR A 27 8.398 1.855 -1.998 1.00 0.00 O ATOM 0 H TYR A 27 2.928 -3.833 -3.983 1.00 0.00 H new ATOM 0 HA TYR A 27 3.859 -2.541 -1.515 1.00 0.00 H new ATOM 0 HB2 TYR A 27 5.467 -3.385 -3.157 1.00 0.00 H new ATOM 0 HB3 TYR A 27 4.738 -2.398 -4.408 1.00 0.00 H new ATOM 0 HD1 TYR A 27 5.528 -1.443 -0.864 1.00 0.00 H new ATOM 0 HD2 TYR A 27 6.428 -0.883 -4.992 1.00 0.00 H new ATOM 0 HE1 TYR A 27 7.021 0.421 -0.287 1.00 0.00 H new ATOM 0 HE2 TYR A 27 7.924 0.976 -4.415 1.00 0.00 H new ATOM 0 HH TYR A 27 8.793 2.221 -2.817 1.00 0.00 H new ATOM 440 N CYS A 28 2.569 -0.422 -1.778 1.00 0.00 N ATOM 441 CA CYS A 28 1.779 0.789 -1.914 1.00 0.00 C ATOM 442 C CYS A 28 2.435 1.983 -1.241 1.00 0.00 C ATOM 443 O CYS A 28 3.391 1.848 -0.473 1.00 0.00 O ATOM 444 CB CYS A 28 0.395 0.589 -1.297 1.00 0.00 C ATOM 445 SG CYS A 28 -0.437 -0.962 -1.765 1.00 0.00 S ATOM 0 H CYS A 28 2.890 -0.619 -0.830 1.00 0.00 H new ATOM 0 HA CYS A 28 1.699 0.992 -2.982 1.00 0.00 H new ATOM 0 HB2 CYS A 28 0.489 0.620 -0.212 1.00 0.00 H new ATOM 0 HB3 CYS A 28 -0.240 1.426 -1.586 1.00 0.00 H new ATOM 450 N CYS A 29 1.875 3.144 -1.522 1.00 0.00 N ATOM 451 CA CYS A 29 2.330 4.398 -0.951 1.00 0.00 C ATOM 452 C CYS A 29 1.114 5.239 -0.594 1.00 0.00 C ATOM 453 O CYS A 29 0.227 5.443 -1.426 1.00 0.00 O ATOM 454 CB CYS A 29 3.217 5.167 -1.932 1.00 0.00 C ATOM 455 SG CYS A 29 4.747 4.302 -2.411 1.00 0.00 S ATOM 0 H CYS A 29 1.084 3.245 -2.159 1.00 0.00 H new ATOM 0 HA CYS A 29 2.923 4.185 -0.061 1.00 0.00 H new ATOM 0 HB2 CYS A 29 2.640 5.382 -2.831 1.00 0.00 H new ATOM 0 HB3 CYS A 29 3.482 6.126 -1.487 1.00 0.00 H new ATOM 460 N PRO A 30 1.042 5.714 0.649 1.00 0.00 N ATOM 461 CA PRO A 30 -0.084 6.517 1.117 1.00 0.00 C ATOM 462 C PRO A 30 -0.163 7.876 0.439 1.00 0.00 C ATOM 463 O PRO A 30 0.844 8.570 0.280 1.00 0.00 O ATOM 464 CB PRO A 30 0.185 6.691 2.614 1.00 0.00 C ATOM 465 CG PRO A 30 1.646 6.465 2.776 1.00 0.00 C ATOM 466 CD PRO A 30 2.037 5.485 1.707 1.00 0.00 C ATOM 0 HA PRO A 30 -1.034 6.032 0.893 1.00 0.00 H new ATOM 0 HB2 PRO A 30 -0.099 7.688 2.952 1.00 0.00 H new ATOM 0 HB3 PRO A 30 -0.392 5.978 3.203 1.00 0.00 H new ATOM 0 HG2 PRO A 30 2.199 7.398 2.670 1.00 0.00 H new ATOM 0 HG3 PRO A 30 1.872 6.071 3.767 1.00 0.00 H new ATOM 0 HD2 PRO A 30 3.051 5.665 1.350 1.00 0.00 H new ATOM 0 HD3 PRO A 30 2.005 4.459 2.073 1.00 0.00 H new ATOM 474 N ARG A 31 -1.374 8.268 0.072 1.00 0.00 N ATOM 475 CA ARG A 31 -1.602 9.564 -0.556 1.00 0.00 C ATOM 476 C ARG A 31 -1.821 10.621 0.510 1.00 0.00 C ATOM 477 O ARG A 31 -2.613 11.547 0.354 1.00 0.00 O ATOM 478 CB ARG A 31 -2.803 9.520 -1.476 1.00 0.00 C ATOM 479 CG ARG A 31 -2.498 8.966 -2.858 1.00 0.00 C ATOM 480 CD ARG A 31 -3.684 9.122 -3.796 1.00 0.00 C ATOM 481 NE ARG A 31 -4.831 8.325 -3.369 1.00 0.00 N ATOM 482 CZ ARG A 31 -6.008 8.309 -3.995 1.00 0.00 C ATOM 483 NH1 ARG A 31 -6.212 9.081 -5.058 1.00 0.00 N ATOM 484 NH2 ARG A 31 -6.982 7.527 -3.547 1.00 0.00 N ATOM 0 H ARG A 31 -2.216 7.707 0.198 1.00 0.00 H new ATOM 0 HA ARG A 31 -0.721 9.813 -1.148 1.00 0.00 H new ATOM 0 HB2 ARG A 31 -3.580 8.911 -1.014 1.00 0.00 H new ATOM 0 HB3 ARG A 31 -3.207 10.527 -1.580 1.00 0.00 H new ATOM 0 HG2 ARG A 31 -1.633 9.482 -3.275 1.00 0.00 H new ATOM 0 HG3 ARG A 31 -2.233 7.912 -2.778 1.00 0.00 H new ATOM 0 HD2 ARG A 31 -3.971 10.172 -3.845 1.00 0.00 H new ATOM 0 HD3 ARG A 31 -3.391 8.824 -4.803 1.00 0.00 H new ATOM 0 HE ARG A 31 -4.725 7.743 -2.538 1.00 0.00 H new ATOM 0 HH11 ARG A 31 -5.466 9.689 -5.398 1.00 0.00 H new ATOM 0 HH12 ARG A 31 -7.114 9.066 -5.534 1.00 0.00 H new ATOM 0 HH21 ARG A 31 -6.829 6.941 -2.726 1.00 0.00 H new ATOM 0 HH22 ARG A 31 -7.884 7.512 -4.023 1.00 0.00 H new ATOM 498 N ARG A 32 -1.100 10.449 1.587 1.00 0.00 N ATOM 499 CA ARG A 32 -1.150 11.337 2.730 1.00 0.00 C ATOM 500 C ARG A 32 0.215 11.334 3.396 1.00 0.00 C ATOM 501 O ARG A 32 0.983 10.374 3.146 1.00 0.00 O ATOM 502 CB ARG A 32 -2.227 10.873 3.717 1.00 0.00 C ATOM 503 CG ARG A 32 -1.890 9.567 4.422 1.00 0.00 C ATOM 504 CD ARG A 32 -3.077 9.026 5.205 1.00 0.00 C ATOM 505 NE ARG A 32 -4.085 8.411 4.334 1.00 0.00 N ATOM 506 CZ ARG A 32 -3.924 7.241 3.705 1.00 0.00 C ATOM 507 NH1 ARG A 32 -2.817 6.530 3.874 1.00 0.00 N ATOM 508 NH2 ARG A 32 -4.875 6.768 2.913 1.00 0.00 N ATOM 509 OXT ARG A 32 0.533 12.286 4.118 1.00 0.00 O ATOM 0 H ARG A 32 -0.447 9.674 1.701 1.00 0.00 H new ATOM 0 HA ARG A 32 -1.404 12.347 2.407 1.00 0.00 H new ATOM 0 HB2 ARG A 32 -2.380 11.650 4.465 1.00 0.00 H new ATOM 0 HB3 ARG A 32 -3.170 10.754 3.183 1.00 0.00 H new ATOM 0 HG2 ARG A 32 -1.572 8.828 3.686 1.00 0.00 H new ATOM 0 HG3 ARG A 32 -1.050 9.725 5.098 1.00 0.00 H new ATOM 0 HD2 ARG A 32 -2.727 8.290 5.928 1.00 0.00 H new ATOM 0 HD3 ARG A 32 -3.535 9.836 5.772 1.00 0.00 H new ATOM 0 HE ARG A 32 -4.966 8.908 4.199 1.00 0.00 H new ATOM 0 HH11 ARG A 32 -2.079 6.874 4.488 1.00 0.00 H new ATOM 0 HH12 ARG A 32 -2.704 5.639 3.390 1.00 0.00 H new ATOM 0 HH21 ARG A 32 -5.737 7.297 2.779 1.00 0.00 H new ATOM 0 HH22 ARG A 32 -4.745 5.875 2.437 1.00 0.00 H new TER 523 ARG A 32