USER MOD reduce.3.24.130724 H: found=0, std=0, add=143, rem=0, adj=2 USER MOD reduce.3.24.130724 removed 145 hydrogens (2 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 ILE N :NH3+ -160:sc= -0.807 (180deg=-1.87!) USER MOD Single : A 3 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 4 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 13 LYS NZ :NH3+ 151:sc= -0.715 (180deg=-0.848) USER MOD ----------------------------------------------------------------- ATOM 1 N ILE A 1 -10.069 7.147 -4.987 1.00 0.00 N ATOM 2 CA ILE A 1 -10.429 5.834 -4.380 1.00 0.00 C ATOM 3 C ILE A 1 -9.182 5.157 -3.804 1.00 0.00 C ATOM 4 O ILE A 1 -8.071 5.595 -4.019 1.00 0.00 O ATOM 5 CB ILE A 1 -11.004 5.009 -5.531 1.00 0.00 C ATOM 6 CG1 ILE A 1 -12.018 5.854 -6.306 1.00 0.00 C ATOM 7 CG2 ILE A 1 -11.698 3.765 -4.973 1.00 0.00 C ATOM 8 CD1 ILE A 1 -13.082 6.383 -5.343 1.00 0.00 C ATOM 0 H1 ILE A 1 -10.921 7.739 -5.065 1.00 0.00 H new ATOM 0 H2 ILE A 1 -9.368 7.626 -4.387 1.00 0.00 H new ATOM 0 H3 ILE A 1 -9.667 6.993 -5.934 1.00 0.00 H new ATOM 0 HA ILE A 1 -11.140 5.940 -3.560 1.00 0.00 H new ATOM 0 HB ILE A 1 -10.197 4.705 -6.198 1.00 0.00 H new ATOM 0 HG12 ILE A 1 -11.514 6.685 -6.800 1.00 0.00 H new ATOM 0 HG13 ILE A 1 -12.485 5.255 -7.088 1.00 0.00 H new ATOM 0 HG21 ILE A 1 -12.108 3.178 -5.795 1.00 0.00 H new ATOM 0 HG22 ILE A 1 -10.977 3.163 -4.421 1.00 0.00 H new ATOM 0 HG23 ILE A 1 -12.505 4.067 -4.305 1.00 0.00 H new ATOM 0 HD11 ILE A 1 -13.805 6.985 -5.894 1.00 0.00 H new ATOM 0 HD12 ILE A 1 -13.594 5.545 -4.870 1.00 0.00 H new ATOM 0 HD13 ILE A 1 -12.607 6.997 -4.578 1.00 0.00 H new ATOM 22 N LEU A 2 -9.359 4.089 -3.073 1.00 0.00 N ATOM 23 CA LEU A 2 -8.185 3.384 -2.486 1.00 0.00 C ATOM 24 C LEU A 2 -8.653 2.210 -1.626 1.00 0.00 C ATOM 25 O LEU A 2 -9.088 2.378 -0.504 1.00 0.00 O ATOM 26 CB LEU A 2 -7.479 4.433 -1.627 1.00 0.00 C ATOM 27 CG LEU A 2 -5.988 4.453 -1.966 1.00 0.00 C ATOM 28 CD1 LEU A 2 -5.550 5.889 -2.266 1.00 0.00 C ATOM 29 CD2 LEU A 2 -5.187 3.914 -0.778 1.00 0.00 C ATOM 0 H LEU A 2 -10.266 3.675 -2.858 1.00 0.00 H new ATOM 0 HA LEU A 2 -7.524 2.975 -3.250 1.00 0.00 H new ATOM 0 HB2 LEU A 2 -7.916 5.416 -1.803 1.00 0.00 H new ATOM 0 HB3 LEU A 2 -7.619 4.207 -0.570 1.00 0.00 H new ATOM 0 HG LEU A 2 -5.807 3.828 -2.841 1.00 0.00 H new ATOM 0 HD11 LEU A 2 -4.487 5.902 -2.507 1.00 0.00 H new ATOM 0 HD12 LEU A 2 -6.119 6.274 -3.112 1.00 0.00 H new ATOM 0 HD13 LEU A 2 -5.731 6.515 -1.392 1.00 0.00 H new ATOM 0 HD21 LEU A 2 -4.124 3.928 -1.019 1.00 0.00 H new ATOM 0 HD22 LEU A 2 -5.369 4.538 0.097 1.00 0.00 H new ATOM 0 HD23 LEU A 2 -5.497 2.891 -0.564 1.00 0.00 H new ATOM 41 N LYS A 3 -8.565 1.018 -2.148 1.00 0.00 N ATOM 42 CA LYS A 3 -9.003 -0.175 -1.368 1.00 0.00 C ATOM 43 C LYS A 3 -8.661 -1.456 -2.131 1.00 0.00 C ATOM 44 O LYS A 3 -9.532 -2.170 -2.588 1.00 0.00 O ATOM 45 CB LYS A 3 -10.518 -0.022 -1.231 1.00 0.00 C ATOM 46 CG LYS A 3 -11.136 0.208 -2.610 1.00 0.00 C ATOM 47 CD LYS A 3 -12.661 0.198 -2.497 1.00 0.00 C ATOM 48 CE LYS A 3 -13.171 1.631 -2.319 1.00 0.00 C ATOM 49 NZ LYS A 3 -14.296 1.761 -3.285 1.00 0.00 N ATOM 0 H LYS A 3 -8.208 0.818 -3.082 1.00 0.00 H new ATOM 0 HA LYS A 3 -8.510 -0.240 -0.398 1.00 0.00 H new ATOM 0 HB2 LYS A 3 -10.944 -0.915 -0.775 1.00 0.00 H new ATOM 0 HB3 LYS A 3 -10.751 0.815 -0.572 1.00 0.00 H new ATOM 0 HG2 LYS A 3 -10.798 1.161 -3.017 1.00 0.00 H new ATOM 0 HG3 LYS A 3 -10.807 -0.568 -3.301 1.00 0.00 H new ATOM 0 HD2 LYS A 3 -13.099 -0.247 -3.390 1.00 0.00 H new ATOM 0 HD3 LYS A 3 -12.969 -0.416 -1.651 1.00 0.00 H new ATOM 0 HE2 LYS A 3 -13.506 1.807 -1.297 1.00 0.00 H new ATOM 0 HE3 LYS A 3 -12.386 2.358 -2.527 1.00 0.00 H new ATOM 0 HZ1 LYS A 3 -14.698 2.718 -3.222 1.00 0.00 H new ATOM 0 HZ2 LYS A 3 -13.946 1.595 -4.250 1.00 0.00 H new ATOM 0 HZ3 LYS A 3 -15.031 1.061 -3.058 1.00 0.00 H new ATOM 63 N LYS A 4 -7.398 -1.755 -2.274 1.00 0.00 N ATOM 64 CA LYS A 4 -7.003 -2.989 -3.008 1.00 0.00 C ATOM 65 C LYS A 4 -5.898 -3.717 -2.250 1.00 0.00 C ATOM 66 O LYS A 4 -4.769 -3.801 -2.691 1.00 0.00 O ATOM 67 CB LYS A 4 -6.496 -2.498 -4.356 1.00 0.00 C ATOM 68 CG LYS A 4 -7.497 -2.872 -5.451 1.00 0.00 C ATOM 69 CD LYS A 4 -6.831 -3.816 -6.452 1.00 0.00 C ATOM 70 CE LYS A 4 -7.570 -5.156 -6.462 1.00 0.00 C ATOM 71 NZ LYS A 4 -7.032 -5.901 -5.290 1.00 0.00 N ATOM 0 H LYS A 4 -6.624 -1.197 -1.914 1.00 0.00 H new ATOM 0 HA LYS A 4 -7.829 -3.692 -3.116 1.00 0.00 H new ATOM 0 HB2 LYS A 4 -6.357 -1.417 -4.331 1.00 0.00 H new ATOM 0 HB3 LYS A 4 -5.523 -2.940 -4.573 1.00 0.00 H new ATOM 0 HG2 LYS A 4 -8.372 -3.351 -5.010 1.00 0.00 H new ATOM 0 HG3 LYS A 4 -7.847 -1.974 -5.960 1.00 0.00 H new ATOM 0 HD2 LYS A 4 -6.844 -3.374 -7.448 1.00 0.00 H new ATOM 0 HD3 LYS A 4 -5.785 -3.968 -6.184 1.00 0.00 H new ATOM 0 HE2 LYS A 4 -8.647 -5.013 -6.378 1.00 0.00 H new ATOM 0 HE3 LYS A 4 -7.391 -5.698 -7.390 1.00 0.00 H new ATOM 0 HZ1 LYS A 4 -7.491 -6.832 -5.230 1.00 0.00 H new ATOM 0 HZ2 LYS A 4 -6.006 -6.028 -5.401 1.00 0.00 H new ATOM 0 HZ3 LYS A 4 -7.223 -5.364 -4.420 1.00 0.00 H new ATOM 85 N TRP A 5 -6.229 -4.240 -1.112 1.00 0.00 N ATOM 86 CA TRP A 5 -5.221 -4.975 -0.295 1.00 0.00 C ATOM 87 C TRP A 5 -3.967 -4.119 -0.103 1.00 0.00 C ATOM 88 O TRP A 5 -3.170 -3.972 -1.009 1.00 0.00 O ATOM 89 CB TRP A 5 -4.896 -6.230 -1.103 1.00 0.00 C ATOM 90 CG TRP A 5 -5.824 -7.331 -0.707 1.00 0.00 C ATOM 91 CD1 TRP A 5 -6.766 -7.882 -1.507 1.00 0.00 C ATOM 92 CD2 TRP A 5 -5.918 -8.024 0.570 1.00 0.00 C ATOM 93 NE1 TRP A 5 -7.432 -8.868 -0.800 1.00 0.00 N ATOM 94 CE2 TRP A 5 -6.943 -8.994 0.484 1.00 0.00 C ATOM 95 CE3 TRP A 5 -5.215 -7.906 1.782 1.00 0.00 C ATOM 96 CZ2 TRP A 5 -7.263 -9.817 1.566 1.00 0.00 C ATOM 97 CZ3 TRP A 5 -5.533 -8.732 2.872 1.00 0.00 C ATOM 98 CH2 TRP A 5 -6.556 -9.686 2.763 1.00 0.00 C ATOM 0 H TRP A 5 -7.162 -4.193 -0.703 1.00 0.00 H new ATOM 0 HA TRP A 5 -5.594 -5.216 0.700 1.00 0.00 H new ATOM 0 HB2 TRP A 5 -4.993 -6.024 -2.169 1.00 0.00 H new ATOM 0 HB3 TRP A 5 -3.863 -6.530 -0.929 1.00 0.00 H new ATOM 0 HD1 TRP A 5 -6.966 -7.599 -2.530 1.00 0.00 H new ATOM 0 HE1 TRP A 5 -8.191 -9.432 -1.181 1.00 0.00 H new ATOM 0 HE3 TRP A 5 -4.425 -7.175 1.875 1.00 0.00 H new ATOM 0 HZ2 TRP A 5 -8.052 -10.550 1.478 1.00 0.00 H new ATOM 0 HZ3 TRP A 5 -4.987 -8.633 3.799 1.00 0.00 H new ATOM 0 HH2 TRP A 5 -6.797 -10.319 3.605 1.00 0.00 H new ATOM 109 N PRO A 6 -3.832 -3.586 1.080 1.00 0.00 N ATOM 110 CA PRO A 6 -2.660 -2.736 1.401 1.00 0.00 C ATOM 111 C PRO A 6 -1.401 -3.596 1.544 1.00 0.00 C ATOM 112 O PRO A 6 -1.007 -3.965 2.631 1.00 0.00 O ATOM 113 CB PRO A 6 -3.037 -2.095 2.733 1.00 0.00 C ATOM 114 CG PRO A 6 -4.026 -3.032 3.348 1.00 0.00 C ATOM 115 CD PRO A 6 -4.746 -3.723 2.219 1.00 0.00 C ATOM 0 HA PRO A 6 -2.438 -2.000 0.628 1.00 0.00 H new ATOM 0 HB2 PRO A 6 -2.163 -1.969 3.372 1.00 0.00 H new ATOM 0 HB3 PRO A 6 -3.470 -1.105 2.586 1.00 0.00 H new ATOM 0 HG2 PRO A 6 -3.523 -3.759 3.985 1.00 0.00 H new ATOM 0 HG3 PRO A 6 -4.730 -2.489 3.978 1.00 0.00 H new ATOM 0 HD2 PRO A 6 -4.941 -4.770 2.451 1.00 0.00 H new ATOM 0 HD3 PRO A 6 -5.710 -3.257 2.016 1.00 0.00 H new ATOM 123 N TRP A 7 -0.771 -3.915 0.449 1.00 0.00 N ATOM 124 CA TRP A 7 0.463 -4.751 0.513 1.00 0.00 C ATOM 125 C TRP A 7 1.614 -4.043 -0.198 1.00 0.00 C ATOM 126 O TRP A 7 2.208 -4.565 -1.122 1.00 0.00 O ATOM 127 CB TRP A 7 0.105 -6.043 -0.212 1.00 0.00 C ATOM 128 CG TRP A 7 0.097 -7.178 0.762 1.00 0.00 C ATOM 129 CD1 TRP A 7 -0.976 -7.573 1.484 1.00 0.00 C ATOM 130 CD2 TRP A 7 1.191 -8.066 1.132 1.00 0.00 C ATOM 131 NE1 TRP A 7 -0.611 -8.650 2.274 1.00 0.00 N ATOM 132 CE2 TRP A 7 0.714 -8.990 2.091 1.00 0.00 C ATOM 133 CE3 TRP A 7 2.535 -8.160 0.731 1.00 0.00 C ATOM 134 CZ2 TRP A 7 1.544 -9.974 2.635 1.00 0.00 C ATOM 135 CZ3 TRP A 7 3.372 -9.148 1.276 1.00 0.00 C ATOM 136 CH2 TRP A 7 2.878 -10.052 2.225 1.00 0.00 C ATOM 0 H TRP A 7 -1.056 -3.634 -0.489 1.00 0.00 H new ATOM 0 HA TRP A 7 0.784 -4.935 1.538 1.00 0.00 H new ATOM 0 HB2 TRP A 7 -0.873 -5.948 -0.684 1.00 0.00 H new ATOM 0 HB3 TRP A 7 0.825 -6.238 -1.007 1.00 0.00 H new ATOM 0 HD1 TRP A 7 -1.957 -7.122 1.450 1.00 0.00 H new ATOM 0 HE1 TRP A 7 -1.243 -9.133 2.912 1.00 0.00 H new ATOM 0 HE3 TRP A 7 2.927 -7.469 -0.000 1.00 0.00 H new ATOM 0 HZ2 TRP A 7 1.158 -10.669 3.366 1.00 0.00 H new ATOM 0 HZ3 TRP A 7 4.403 -9.211 0.961 1.00 0.00 H new ATOM 0 HH2 TRP A 7 3.527 -10.809 2.640 1.00 0.00 H new ATOM 147 N TRP A 8 1.930 -2.859 0.229 1.00 0.00 N ATOM 148 CA TRP A 8 3.040 -2.103 -0.408 1.00 0.00 C ATOM 149 C TRP A 8 4.082 -1.708 0.642 1.00 0.00 C ATOM 150 O TRP A 8 3.826 -0.874 1.489 1.00 0.00 O ATOM 151 CB TRP A 8 2.383 -0.860 -1.006 1.00 0.00 C ATOM 152 CG TRP A 8 3.239 -0.326 -2.108 1.00 0.00 C ATOM 153 CD1 TRP A 8 3.979 0.803 -2.036 1.00 0.00 C ATOM 154 CD2 TRP A 8 3.456 -0.875 -3.440 1.00 0.00 C ATOM 155 NE1 TRP A 8 4.637 0.984 -3.240 1.00 0.00 N ATOM 156 CE2 TRP A 8 4.346 -0.025 -4.137 1.00 0.00 C ATOM 157 CE3 TRP A 8 2.971 -2.017 -4.103 1.00 0.00 C ATOM 158 CZ2 TRP A 8 4.741 -0.297 -5.448 1.00 0.00 C ATOM 159 CZ3 TRP A 8 3.367 -2.293 -5.423 1.00 0.00 C ATOM 160 CH2 TRP A 8 4.250 -1.435 -6.092 1.00 0.00 C ATOM 0 H TRP A 8 1.465 -2.377 0.998 1.00 0.00 H new ATOM 0 HA TRP A 8 3.559 -2.692 -1.164 1.00 0.00 H new ATOM 0 HB2 TRP A 8 1.392 -1.107 -1.388 1.00 0.00 H new ATOM 0 HB3 TRP A 8 2.248 -0.101 -0.236 1.00 0.00 H new ATOM 0 HD1 TRP A 8 4.046 1.457 -1.179 1.00 0.00 H new ATOM 0 HE1 TRP A 8 5.260 1.766 -3.440 1.00 0.00 H new ATOM 0 HE3 TRP A 8 2.291 -2.685 -3.595 1.00 0.00 H new ATOM 0 HZ2 TRP A 8 5.421 0.367 -5.960 1.00 0.00 H new ATOM 0 HZ3 TRP A 8 2.989 -3.171 -5.925 1.00 0.00 H new ATOM 0 HH2 TRP A 8 4.551 -1.654 -7.106 1.00 0.00 H new ATOM 171 N PRO A 9 5.226 -2.331 0.555 1.00 0.00 N ATOM 172 CA PRO A 9 6.324 -2.056 1.505 1.00 0.00 C ATOM 173 C PRO A 9 7.169 -0.875 1.029 1.00 0.00 C ATOM 174 O PRO A 9 8.358 -0.808 1.274 1.00 0.00 O ATOM 175 CB PRO A 9 7.132 -3.346 1.480 1.00 0.00 C ATOM 176 CG PRO A 9 6.851 -3.978 0.145 1.00 0.00 C ATOM 177 CD PRO A 9 5.601 -3.347 -0.427 1.00 0.00 C ATOM 0 HA PRO A 9 5.974 -1.788 2.502 1.00 0.00 H new ATOM 0 HB2 PRO A 9 8.196 -3.144 1.601 1.00 0.00 H new ATOM 0 HB3 PRO A 9 6.839 -4.007 2.295 1.00 0.00 H new ATOM 0 HG2 PRO A 9 7.694 -3.830 -0.530 1.00 0.00 H new ATOM 0 HG3 PRO A 9 6.717 -5.054 0.255 1.00 0.00 H new ATOM 0 HD2 PRO A 9 5.791 -2.904 -1.405 1.00 0.00 H new ATOM 0 HD3 PRO A 9 4.809 -4.084 -0.559 1.00 0.00 H new ATOM 185 N TRP A 10 6.564 0.054 0.351 1.00 0.00 N ATOM 186 CA TRP A 10 7.319 1.232 -0.145 1.00 0.00 C ATOM 187 C TRP A 10 6.937 2.480 0.650 1.00 0.00 C ATOM 188 O TRP A 10 7.742 3.054 1.355 1.00 0.00 O ATOM 189 CB TRP A 10 6.896 1.371 -1.604 1.00 0.00 C ATOM 190 CG TRP A 10 8.107 1.458 -2.469 1.00 0.00 C ATOM 191 CD1 TRP A 10 8.975 2.496 -2.512 1.00 0.00 C ATOM 192 CD2 TRP A 10 8.594 0.478 -3.417 1.00 0.00 C ATOM 193 NE1 TRP A 10 9.967 2.206 -3.433 1.00 0.00 N ATOM 194 CE2 TRP A 10 9.774 0.969 -4.019 1.00 0.00 C ATOM 195 CE3 TRP A 10 8.123 -0.781 -3.805 1.00 0.00 C ATOM 196 CZ2 TRP A 10 10.465 0.230 -4.978 1.00 0.00 C ATOM 197 CZ3 TRP A 10 8.812 -1.532 -4.771 1.00 0.00 C ATOM 198 CH2 TRP A 10 9.982 -1.028 -5.356 1.00 0.00 C ATOM 0 H TRP A 10 5.571 0.048 0.117 1.00 0.00 H new ATOM 0 HA TRP A 10 8.397 1.113 -0.039 1.00 0.00 H new ATOM 0 HB2 TRP A 10 6.286 0.517 -1.899 1.00 0.00 H new ATOM 0 HB3 TRP A 10 6.281 2.262 -1.732 1.00 0.00 H new ATOM 0 HD1 TRP A 10 8.905 3.400 -1.925 1.00 0.00 H new ATOM 0 HE1 TRP A 10 10.745 2.829 -3.652 1.00 0.00 H new ATOM 0 HE3 TRP A 10 7.223 -1.178 -3.358 1.00 0.00 H new ATOM 0 HZ2 TRP A 10 11.365 0.625 -5.425 1.00 0.00 H new ATOM 0 HZ3 TRP A 10 8.439 -2.502 -5.065 1.00 0.00 H new ATOM 0 HH2 TRP A 10 10.510 -1.610 -6.097 1.00 0.00 H new ATOM 209 N ARG A 11 5.711 2.901 0.538 1.00 0.00 N ATOM 210 CA ARG A 11 5.260 4.107 1.277 1.00 0.00 C ATOM 211 C ARG A 11 4.013 3.780 2.096 1.00 0.00 C ATOM 212 O ARG A 11 2.946 4.318 1.871 1.00 0.00 O ATOM 213 CB ARG A 11 4.941 5.158 0.206 1.00 0.00 C ATOM 214 CG ARG A 11 4.473 4.489 -1.093 1.00 0.00 C ATOM 215 CD ARG A 11 3.657 5.487 -1.918 1.00 0.00 C ATOM 216 NE ARG A 11 2.329 5.543 -1.247 1.00 0.00 N ATOM 217 CZ ARG A 11 1.528 6.550 -1.468 1.00 0.00 C ATOM 218 NH1 ARG A 11 0.852 6.613 -2.583 1.00 0.00 N ATOM 219 NH2 ARG A 11 1.405 7.493 -0.575 1.00 0.00 N ATOM 0 H ARG A 11 4.997 2.457 -0.039 1.00 0.00 H new ATOM 0 HA ARG A 11 6.019 4.467 1.972 1.00 0.00 H new ATOM 0 HB2 ARG A 11 4.167 5.833 0.572 1.00 0.00 H new ATOM 0 HB3 ARG A 11 5.826 5.764 0.010 1.00 0.00 H new ATOM 0 HG2 ARG A 11 5.333 4.144 -1.667 1.00 0.00 H new ATOM 0 HG3 ARG A 11 3.869 3.611 -0.865 1.00 0.00 H new ATOM 0 HD2 ARG A 11 4.133 6.468 -1.935 1.00 0.00 H new ATOM 0 HD3 ARG A 11 3.563 5.160 -2.954 1.00 0.00 H new ATOM 0 HE ARG A 11 2.045 4.795 -0.615 1.00 0.00 H new ATOM 0 HH11 ARG A 11 0.950 5.876 -3.281 1.00 0.00 H new ATOM 0 HH12 ARG A 11 0.226 7.400 -2.756 1.00 0.00 H new ATOM 0 HH21 ARG A 11 1.935 7.443 0.295 1.00 0.00 H new ATOM 0 HH22 ARG A 11 0.779 8.280 -0.747 1.00 0.00 H new ATOM 233 N ARG A 12 4.145 2.898 3.043 1.00 0.00 N ATOM 234 CA ARG A 12 2.973 2.525 3.886 1.00 0.00 C ATOM 235 C ARG A 12 2.365 3.773 4.530 1.00 0.00 C ATOM 236 O ARG A 12 2.939 4.844 4.493 1.00 0.00 O ATOM 237 CB ARG A 12 3.536 1.590 4.957 1.00 0.00 C ATOM 238 CG ARG A 12 4.733 2.256 5.640 1.00 0.00 C ATOM 239 CD ARG A 12 4.602 2.107 7.158 1.00 0.00 C ATOM 240 NE ARG A 12 5.923 2.534 7.699 1.00 0.00 N ATOM 241 CZ ARG A 12 6.237 2.268 8.937 1.00 0.00 C ATOM 242 NH1 ARG A 12 5.420 2.594 9.901 1.00 0.00 N ATOM 243 NH2 ARG A 12 7.366 1.675 9.211 1.00 0.00 N ATOM 0 H ARG A 12 5.015 2.417 3.272 1.00 0.00 H new ATOM 0 HA ARG A 12 2.182 2.050 3.305 1.00 0.00 H new ATOM 0 HB2 ARG A 12 2.766 1.358 5.693 1.00 0.00 H new ATOM 0 HB3 ARG A 12 3.840 0.645 4.506 1.00 0.00 H new ATOM 0 HG2 ARG A 12 5.661 1.799 5.298 1.00 0.00 H new ATOM 0 HG3 ARG A 12 4.779 3.311 5.370 1.00 0.00 H new ATOM 0 HD2 ARG A 12 3.796 2.728 7.548 1.00 0.00 H new ATOM 0 HD3 ARG A 12 4.375 1.078 7.436 1.00 0.00 H new ATOM 0 HE ARG A 12 6.581 3.034 7.102 1.00 0.00 H new ATOM 0 HH11 ARG A 12 4.537 3.056 9.686 1.00 0.00 H new ATOM 0 HH12 ARG A 12 5.665 2.386 10.869 1.00 0.00 H new ATOM 0 HH21 ARG A 12 8.004 1.419 8.457 1.00 0.00 H new ATOM 0 HH22 ARG A 12 7.611 1.467 10.179 1.00 0.00 H new ATOM 257 N LYS A 13 1.208 3.647 5.120 1.00 0.00 N ATOM 258 CA LYS A 13 0.566 4.826 5.764 1.00 0.00 C ATOM 259 C LYS A 13 0.563 4.658 7.288 1.00 0.00 C ATOM 260 O LYS A 13 1.606 4.550 7.903 1.00 0.00 O ATOM 261 CB LYS A 13 -0.862 4.846 5.212 1.00 0.00 C ATOM 262 CG LYS A 13 -0.828 5.185 3.721 1.00 0.00 C ATOM 263 CD LYS A 13 -1.460 6.560 3.495 1.00 0.00 C ATOM 264 CE LYS A 13 -0.358 7.616 3.382 1.00 0.00 C ATOM 265 NZ LYS A 13 0.163 7.480 1.994 1.00 0.00 N ATOM 0 H LYS A 13 0.679 2.777 5.184 1.00 0.00 H new ATOM 0 HA LYS A 13 1.093 5.756 5.554 1.00 0.00 H new ATOM 0 HB2 LYS A 13 -1.336 3.876 5.365 1.00 0.00 H new ATOM 0 HB3 LYS A 13 -1.461 5.581 5.749 1.00 0.00 H new ATOM 0 HG2 LYS A 13 0.200 5.182 3.360 1.00 0.00 H new ATOM 0 HG3 LYS A 13 -1.367 4.427 3.153 1.00 0.00 H new ATOM 0 HD2 LYS A 13 -2.063 6.550 2.587 1.00 0.00 H new ATOM 0 HD3 LYS A 13 -2.129 6.804 4.320 1.00 0.00 H new ATOM 0 HE2 LYS A 13 -0.751 8.617 3.560 1.00 0.00 H new ATOM 0 HE3 LYS A 13 0.428 7.446 4.117 1.00 0.00 H new ATOM 0 HZ1 LYS A 13 0.524 8.399 1.667 1.00 0.00 H new ATOM 0 HZ2 LYS A 13 0.933 6.781 1.979 1.00 0.00 H new ATOM 0 HZ3 LYS A 13 -0.603 7.165 1.365 1.00 0.00 H new HETATM 279 N NH2 A 14 -0.573 4.631 7.931 1.00 0.00 N TER 282 NH2 A 14