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+ -120:sc= 0.0286 (180deg=-0.522) USER MOD Single : A 3 LYS NZ :NH3+ -112:sc=-0.00948 (180deg=-0.142) USER MOD Single : A 4 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 13 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD ----------------------------------------------------------------- ATOM 1 N ILE A 1 -8.356 -6.516 1.664 1.00 0.00 N ATOM 2 CA ILE A 1 -9.429 -5.492 1.806 1.00 0.00 C ATOM 3 C ILE A 1 -8.848 -4.186 2.349 1.00 0.00 C ATOM 4 O ILE A 1 -7.725 -4.139 2.810 1.00 0.00 O ATOM 5 CB ILE A 1 -10.420 -6.093 2.804 1.00 0.00 C ATOM 6 CG1 ILE A 1 -11.240 -7.185 2.114 1.00 0.00 C ATOM 7 CG2 ILE A 1 -11.358 -4.999 3.317 1.00 0.00 C ATOM 8 CD1 ILE A 1 -11.676 -8.226 3.148 1.00 0.00 C ATOM 0 H1 ILE A 1 -8.288 -6.812 0.669 1.00 0.00 H new ATOM 0 H2 ILE A 1 -7.447 -6.111 1.968 1.00 0.00 H new ATOM 0 H3 ILE A 1 -8.583 -7.341 2.256 1.00 0.00 H new ATOM 0 HA ILE A 1 -9.902 -5.256 0.853 1.00 0.00 H new ATOM 0 HB ILE A 1 -9.873 -6.524 3.643 1.00 0.00 H new ATOM 0 HG12 ILE A 1 -12.114 -6.748 1.631 1.00 0.00 H new ATOM 0 HG13 ILE A 1 -10.648 -7.660 1.332 1.00 0.00 H new ATOM 0 HG21 ILE A 1 -12.064 -5.429 4.028 1.00 0.00 H new ATOM 0 HG22 ILE A 1 -10.775 -4.221 3.810 1.00 0.00 H new ATOM 0 HG23 ILE A 1 -11.905 -4.567 2.479 1.00 0.00 H new ATOM 0 HD11 ILE A 1 -12.260 -9.004 2.657 1.00 0.00 H new ATOM 0 HD12 ILE A 1 -10.795 -8.671 3.610 1.00 0.00 H new ATOM 0 HD13 ILE A 1 -12.284 -7.745 3.914 1.00 0.00 H new ATOM 22 N LEU A 2 -9.604 -3.122 2.298 1.00 0.00 N ATOM 23 CA LEU A 2 -9.095 -1.817 2.812 1.00 0.00 C ATOM 24 C LEU A 2 -7.967 -1.299 1.921 1.00 0.00 C ATOM 25 O LEU A 2 -6.834 -1.726 2.020 1.00 0.00 O ATOM 26 CB LEU A 2 -8.577 -2.115 4.221 1.00 0.00 C ATOM 27 CG LEU A 2 -8.685 -0.855 5.083 1.00 0.00 C ATOM 28 CD1 LEU A 2 -10.141 -0.645 5.503 1.00 0.00 C ATOM 29 CD2 LEU A 2 -7.814 -1.016 6.330 1.00 0.00 C ATOM 0 H LEU A 2 -10.552 -3.100 1.923 1.00 0.00 H new ATOM 0 HA LEU A 2 -9.868 -1.049 2.819 1.00 0.00 H new ATOM 0 HB2 LEU A 2 -9.154 -2.925 4.668 1.00 0.00 H new ATOM 0 HB3 LEU A 2 -7.541 -2.449 4.176 1.00 0.00 H new ATOM 0 HG LEU A 2 -8.345 0.007 4.509 1.00 0.00 H new ATOM 0 HD11 LEU A 2 -10.217 0.253 6.117 1.00 0.00 H new ATOM 0 HD12 LEU A 2 -10.763 -0.531 4.615 1.00 0.00 H new ATOM 0 HD13 LEU A 2 -10.482 -1.507 6.077 1.00 0.00 H new ATOM 0 HD21 LEU A 2 -7.890 -0.119 6.945 1.00 0.00 H new ATOM 0 HD22 LEU A 2 -8.154 -1.879 6.903 1.00 0.00 H new ATOM 0 HD23 LEU A 2 -6.776 -1.165 6.032 1.00 0.00 H new ATOM 41 N LYS A 3 -8.274 -0.379 1.052 1.00 0.00 N ATOM 42 CA LYS A 3 -7.228 0.183 0.146 1.00 0.00 C ATOM 43 C LYS A 3 -6.710 -0.897 -0.805 1.00 0.00 C ATOM 44 O LYS A 3 -5.538 -1.214 -0.813 1.00 0.00 O ATOM 45 CB LYS A 3 -6.109 0.664 1.073 1.00 0.00 C ATOM 46 CG LYS A 3 -6.715 1.406 2.266 1.00 0.00 C ATOM 47 CD LYS A 3 -5.606 2.126 3.036 1.00 0.00 C ATOM 48 CE LYS A 3 -6.191 3.347 3.752 1.00 0.00 C ATOM 49 NZ LYS A 3 -6.273 4.403 2.705 1.00 0.00 N ATOM 0 H LYS A 3 -9.208 0.012 0.927 1.00 0.00 H new ATOM 0 HA LYS A 3 -7.616 0.991 -0.475 1.00 0.00 H new ATOM 0 HB2 LYS A 3 -5.521 -0.185 1.421 1.00 0.00 H new ATOM 0 HB3 LYS A 3 -5.430 1.321 0.530 1.00 0.00 H new ATOM 0 HG2 LYS A 3 -7.459 2.125 1.921 1.00 0.00 H new ATOM 0 HG3 LYS A 3 -7.230 0.704 2.921 1.00 0.00 H new ATOM 0 HD2 LYS A 3 -5.153 1.449 3.760 1.00 0.00 H new ATOM 0 HD3 LYS A 3 -4.816 2.436 2.352 1.00 0.00 H new ATOM 0 HE2 LYS A 3 -7.174 3.127 4.169 1.00 0.00 H new ATOM 0 HE3 LYS A 3 -5.556 3.661 4.581 1.00 0.00 H new ATOM 0 HZ1 LYS A 3 -5.593 5.159 2.921 1.00 0.00 H new ATOM 0 HZ2 LYS A 3 -6.049 3.990 1.777 1.00 0.00 H new ATOM 0 HZ3 LYS A 3 -7.235 4.798 2.685 1.00 0.00 H new ATOM 63 N LYS A 4 -7.581 -1.443 -1.618 1.00 0.00 N ATOM 64 CA LYS A 4 -7.186 -2.487 -2.593 1.00 0.00 C ATOM 65 C LYS A 4 -6.031 -3.324 -2.058 1.00 0.00 C ATOM 66 O LYS A 4 -4.934 -3.312 -2.580 1.00 0.00 O ATOM 67 CB LYS A 4 -6.785 -1.718 -3.846 1.00 0.00 C ATOM 68 CG LYS A 4 -7.701 -0.504 -4.042 1.00 0.00 C ATOM 69 CD LYS A 4 -7.599 -0.015 -5.489 1.00 0.00 C ATOM 70 CE LYS A 4 -6.186 0.508 -5.752 1.00 0.00 C ATOM 71 NZ LYS A 4 -6.164 0.840 -7.204 1.00 0.00 N ATOM 0 H LYS A 4 -8.571 -1.197 -1.641 1.00 0.00 H new ATOM 0 HA LYS A 4 -7.993 -3.192 -2.793 1.00 0.00 H new ATOM 0 HB2 LYS A 4 -5.749 -1.390 -3.764 1.00 0.00 H new ATOM 0 HB3 LYS A 4 -6.845 -2.371 -4.716 1.00 0.00 H new ATOM 0 HG2 LYS A 4 -8.732 -0.772 -3.809 1.00 0.00 H new ATOM 0 HG3 LYS A 4 -7.416 0.294 -3.356 1.00 0.00 H new ATOM 0 HD2 LYS A 4 -7.831 -0.829 -6.176 1.00 0.00 H new ATOM 0 HD3 LYS A 4 -8.330 0.773 -5.670 1.00 0.00 H new ATOM 0 HE2 LYS A 4 -5.970 1.386 -5.143 1.00 0.00 H new ATOM 0 HE3 LYS A 4 -5.435 -0.243 -5.507 1.00 0.00 H new ATOM 0 HZ1 LYS A 4 -5.225 1.206 -7.462 1.00 0.00 H new ATOM 0 HZ2 LYS A 4 -6.366 -0.016 -7.759 1.00 0.00 H new ATOM 0 HZ3 LYS A 4 -6.885 1.562 -7.406 1.00 0.00 H new ATOM 85 N TRP A 5 -6.286 -4.052 -1.015 1.00 0.00 N ATOM 86 CA TRP A 5 -5.223 -4.908 -0.417 1.00 0.00 C ATOM 87 C TRP A 5 -3.968 -4.078 -0.137 1.00 0.00 C ATOM 88 O TRP A 5 -3.184 -3.816 -1.028 1.00 0.00 O ATOM 89 CB TRP A 5 -4.932 -5.973 -1.472 1.00 0.00 C ATOM 90 CG TRP A 5 -5.807 -7.162 -1.235 1.00 0.00 C ATOM 91 CD1 TRP A 5 -6.789 -7.583 -2.063 1.00 0.00 C ATOM 92 CD2 TRP A 5 -5.792 -8.086 -0.112 1.00 0.00 C ATOM 93 NE1 TRP A 5 -7.381 -8.708 -1.519 1.00 0.00 N ATOM 94 CE2 TRP A 5 -6.800 -9.058 -0.314 1.00 0.00 C ATOM 95 CE3 TRP A 5 -5.011 -8.175 1.052 1.00 0.00 C ATOM 96 CZ2 TRP A 5 -7.025 -10.082 0.607 1.00 0.00 C ATOM 97 CZ3 TRP A 5 -5.233 -9.204 1.983 1.00 0.00 C ATOM 98 CH2 TRP A 5 -6.238 -10.156 1.759 1.00 0.00 C ATOM 0 H TRP A 5 -7.190 -4.094 -0.544 1.00 0.00 H new ATOM 0 HA TRP A 5 -5.533 -5.346 0.532 1.00 0.00 H new ATOM 0 HB2 TRP A 5 -5.110 -5.570 -2.469 1.00 0.00 H new ATOM 0 HB3 TRP A 5 -3.883 -6.266 -1.429 1.00 0.00 H new ATOM 0 HD1 TRP A 5 -7.066 -7.117 -2.997 1.00 0.00 H new ATOM 0 HE1 TRP A 5 -8.151 -9.217 -1.953 1.00 0.00 H new ATOM 0 HE3 TRP A 5 -4.234 -7.447 1.233 1.00 0.00 H new ATOM 0 HZ2 TRP A 5 -7.801 -10.812 0.431 1.00 0.00 H new ATOM 0 HZ3 TRP A 5 -4.627 -9.262 2.875 1.00 0.00 H new ATOM 0 HH2 TRP A 5 -6.404 -10.946 2.477 1.00 0.00 H new ATOM 109 N PRO A 6 -3.820 -3.690 1.100 1.00 0.00 N ATOM 110 CA PRO A 6 -2.649 -2.880 1.509 1.00 0.00 C ATOM 111 C PRO A 6 -1.391 -3.748 1.563 1.00 0.00 C ATOM 112 O PRO A 6 -0.993 -4.219 2.610 1.00 0.00 O ATOM 113 CB PRO A 6 -3.026 -2.381 2.898 1.00 0.00 C ATOM 114 CG PRO A 6 -4.015 -3.377 3.416 1.00 0.00 C ATOM 115 CD PRO A 6 -4.723 -3.966 2.222 1.00 0.00 C ATOM 0 HA PRO A 6 -2.427 -2.068 0.817 1.00 0.00 H new ATOM 0 HB2 PRO A 6 -2.151 -2.321 3.546 1.00 0.00 H new ATOM 0 HB3 PRO A 6 -3.459 -1.382 2.854 1.00 0.00 H new ATOM 0 HG2 PRO A 6 -3.512 -4.157 3.988 1.00 0.00 H new ATOM 0 HG3 PRO A 6 -4.727 -2.898 4.088 1.00 0.00 H new ATOM 0 HD2 PRO A 6 -4.890 -5.036 2.345 1.00 0.00 H new ATOM 0 HD3 PRO A 6 -5.700 -3.506 2.070 1.00 0.00 H new ATOM 123 N TRP A 7 -0.765 -3.963 0.442 1.00 0.00 N ATOM 124 CA TRP A 7 0.470 -4.803 0.424 1.00 0.00 C ATOM 125 C TRP A 7 1.603 -4.059 -0.278 1.00 0.00 C ATOM 126 O TRP A 7 2.161 -4.524 -1.252 1.00 0.00 O ATOM 127 CB TRP A 7 0.087 -6.053 -0.359 1.00 0.00 C ATOM 128 CG TRP A 7 -0.052 -7.208 0.580 1.00 0.00 C ATOM 129 CD1 TRP A 7 -1.225 -7.694 1.046 1.00 0.00 C ATOM 130 CD2 TRP A 7 0.996 -8.027 1.174 1.00 0.00 C ATOM 131 NE1 TRP A 7 -0.963 -8.758 1.890 1.00 0.00 N ATOM 132 CE2 TRP A 7 0.391 -9.003 2.000 1.00 0.00 C ATOM 133 CE3 TRP A 7 2.400 -8.018 1.077 1.00 0.00 C ATOM 134 CZ2 TRP A 7 1.151 -9.938 2.706 1.00 0.00 C ATOM 135 CZ3 TRP A 7 3.167 -8.957 1.787 1.00 0.00 C ATOM 136 CH2 TRP A 7 2.544 -9.914 2.598 1.00 0.00 C ATOM 0 H TRP A 7 -1.052 -3.595 -0.465 1.00 0.00 H new ATOM 0 HA TRP A 7 0.821 -5.043 1.428 1.00 0.00 H new ATOM 0 HB2 TRP A 7 -0.850 -5.889 -0.891 1.00 0.00 H new ATOM 0 HB3 TRP A 7 0.846 -6.271 -1.110 1.00 0.00 H new ATOM 0 HD1 TRP A 7 -2.205 -7.314 0.800 1.00 0.00 H new ATOM 0 HE1 TRP A 7 -1.683 -9.296 2.372 1.00 0.00 H new ATOM 0 HE3 TRP A 7 2.891 -7.285 0.453 1.00 0.00 H new ATOM 0 HZ2 TRP A 7 0.666 -10.674 3.330 1.00 0.00 H new ATOM 0 HZ3 TRP A 7 4.244 -8.941 1.707 1.00 0.00 H new ATOM 0 HH2 TRP A 7 3.140 -10.633 3.140 1.00 0.00 H new ATOM 147 N TRP A 8 1.947 -2.908 0.217 1.00 0.00 N ATOM 148 CA TRP A 8 3.045 -2.121 -0.405 1.00 0.00 C ATOM 149 C TRP A 8 4.051 -1.682 0.663 1.00 0.00 C ATOM 150 O TRP A 8 3.765 -0.822 1.471 1.00 0.00 O ATOM 151 CB TRP A 8 2.362 -0.908 -1.032 1.00 0.00 C ATOM 152 CG TRP A 8 3.243 -0.335 -2.092 1.00 0.00 C ATOM 153 CD1 TRP A 8 3.944 0.815 -1.981 1.00 0.00 C ATOM 154 CD2 TRP A 8 3.532 -0.865 -3.419 1.00 0.00 C ATOM 155 NE1 TRP A 8 4.642 1.029 -3.157 1.00 0.00 N ATOM 156 CE2 TRP A 8 4.421 0.020 -4.073 1.00 0.00 C ATOM 157 CE3 TRP A 8 3.113 -2.016 -4.111 1.00 0.00 C ATOM 158 CZ2 TRP A 8 4.878 -0.227 -5.369 1.00 0.00 C ATOM 159 CZ3 TRP A 8 3.570 -2.268 -5.414 1.00 0.00 C ATOM 160 CH2 TRP A 8 4.452 -1.375 -6.041 1.00 0.00 C ATOM 0 H TRP A 8 1.513 -2.474 1.032 1.00 0.00 H new ATOM 0 HA TRP A 8 3.599 -2.700 -1.144 1.00 0.00 H new ATOM 0 HB2 TRP A 8 1.402 -1.198 -1.459 1.00 0.00 H new ATOM 0 HB3 TRP A 8 2.157 -0.157 -0.269 1.00 0.00 H new ATOM 0 HD1 TRP A 8 3.957 1.462 -1.116 1.00 0.00 H new ATOM 0 HE1 TRP A 8 5.246 1.834 -3.326 1.00 0.00 H new ATOM 0 HE3 TRP A 8 2.435 -2.710 -3.637 1.00 0.00 H new ATOM 0 HZ2 TRP A 8 5.556 0.464 -5.848 1.00 0.00 H new ATOM 0 HZ3 TRP A 8 3.241 -3.154 -5.937 1.00 0.00 H new ATOM 0 HH2 TRP A 8 4.801 -1.575 -7.043 1.00 0.00 H new ATOM 171 N PRO A 9 5.199 -2.302 0.631 1.00 0.00 N ATOM 172 CA PRO A 9 6.266 -1.993 1.604 1.00 0.00 C ATOM 173 C PRO A 9 7.137 -0.842 1.100 1.00 0.00 C ATOM 174 O PRO A 9 8.321 -0.783 1.361 1.00 0.00 O ATOM 175 CB PRO A 9 7.061 -3.290 1.664 1.00 0.00 C ATOM 176 CG PRO A 9 6.816 -3.982 0.351 1.00 0.00 C ATOM 177 CD PRO A 9 5.609 -3.345 -0.305 1.00 0.00 C ATOM 0 HA PRO A 9 5.888 -1.677 2.576 1.00 0.00 H new ATOM 0 HB2 PRO A 9 8.123 -3.091 1.809 1.00 0.00 H new ATOM 0 HB3 PRO A 9 6.736 -3.910 2.499 1.00 0.00 H new ATOM 0 HG2 PRO A 9 7.690 -3.893 -0.294 1.00 0.00 H new ATOM 0 HG3 PRO A 9 6.644 -5.047 0.509 1.00 0.00 H new ATOM 0 HD2 PRO A 9 5.860 -2.928 -1.280 1.00 0.00 H new ATOM 0 HD3 PRO A 9 4.813 -4.072 -0.464 1.00 0.00 H new ATOM 185 N TRP A 10 6.554 0.069 0.382 1.00 0.00 N ATOM 186 CA TRP A 10 7.333 1.219 -0.147 1.00 0.00 C ATOM 187 C TRP A 10 6.962 2.499 0.602 1.00 0.00 C ATOM 188 O TRP A 10 7.779 3.104 1.267 1.00 0.00 O ATOM 189 CB TRP A 10 6.925 1.315 -1.613 1.00 0.00 C ATOM 190 CG TRP A 10 8.146 1.358 -2.469 1.00 0.00 C ATOM 191 CD1 TRP A 10 9.025 2.383 -2.540 1.00 0.00 C ATOM 192 CD2 TRP A 10 8.630 0.339 -3.378 1.00 0.00 C ATOM 193 NE1 TRP A 10 10.023 2.050 -3.441 1.00 0.00 N ATOM 194 CE2 TRP A 10 9.821 0.796 -3.984 1.00 0.00 C ATOM 195 CE3 TRP A 10 8.148 -0.927 -3.726 1.00 0.00 C ATOM 196 CZ2 TRP A 10 10.513 0.015 -4.911 1.00 0.00 C ATOM 197 CZ3 TRP A 10 8.837 -1.721 -4.659 1.00 0.00 C ATOM 198 CH2 TRP A 10 10.020 -1.250 -5.250 1.00 0.00 C ATOM 0 H TRP A 10 5.564 0.068 0.136 1.00 0.00 H new ATOM 0 HA TRP A 10 8.408 1.087 -0.027 1.00 0.00 H new ATOM 0 HB2 TRP A 10 6.307 0.460 -1.886 1.00 0.00 H new ATOM 0 HB3 TRP A 10 6.322 2.209 -1.776 1.00 0.00 H new ATOM 0 HD1 TRP A 10 8.960 3.308 -1.986 1.00 0.00 H new ATOM 0 HE1 TRP A 10 10.810 2.656 -3.675 1.00 0.00 H new ATOM 0 HE3 TRP A 10 7.240 -1.297 -3.274 1.00 0.00 H new ATOM 0 HZ2 TRP A 10 11.422 0.384 -5.363 1.00 0.00 H new ATOM 0 HZ3 TRP A 10 8.455 -2.696 -4.922 1.00 0.00 H new ATOM 0 HH2 TRP A 10 10.549 -1.863 -5.965 1.00 0.00 H new ATOM 209 N ARG A 11 5.733 2.912 0.496 1.00 0.00 N ATOM 210 CA ARG A 11 5.291 4.147 1.194 1.00 0.00 C ATOM 211 C ARG A 11 4.081 3.842 2.071 1.00 0.00 C ATOM 212 O ARG A 11 2.999 4.359 1.866 1.00 0.00 O ATOM 213 CB ARG A 11 4.919 5.143 0.086 1.00 0.00 C ATOM 214 CG ARG A 11 4.401 4.406 -1.155 1.00 0.00 C ATOM 215 CD ARG A 11 3.493 5.338 -1.961 1.00 0.00 C ATOM 216 NE ARG A 11 4.113 5.402 -3.313 1.00 0.00 N ATOM 217 CZ ARG A 11 3.373 5.651 -4.359 1.00 0.00 C ATOM 218 NH1 ARG A 11 2.490 4.775 -4.756 1.00 0.00 N ATOM 219 NH2 ARG A 11 3.516 6.774 -5.007 1.00 0.00 N ATOM 0 H ARG A 11 5.010 2.443 -0.049 1.00 0.00 H new ATOM 0 HA ARG A 11 6.068 4.550 1.843 1.00 0.00 H new ATOM 0 HB2 ARG A 11 4.157 5.832 0.450 1.00 0.00 H new ATOM 0 HB3 ARG A 11 5.790 5.742 -0.178 1.00 0.00 H new ATOM 0 HG2 ARG A 11 5.238 4.075 -1.770 1.00 0.00 H new ATOM 0 HG3 ARG A 11 3.851 3.513 -0.858 1.00 0.00 H new ATOM 0 HD2 ARG A 11 2.475 4.952 -2.011 1.00 0.00 H new ATOM 0 HD3 ARG A 11 3.437 6.326 -1.505 1.00 0.00 H new ATOM 0 HE ARG A 11 5.116 5.251 -3.422 1.00 0.00 H new ATOM 0 HH11 ARG A 11 2.379 3.897 -4.249 1.00 0.00 H new ATOM 0 HH12 ARG A 11 1.911 4.969 -5.573 1.00 0.00 H new ATOM 0 HH21 ARG A 11 4.206 7.458 -4.696 1.00 0.00 H new ATOM 0 HH22 ARG A 11 2.938 6.968 -5.824 1.00 0.00 H new ATOM 233 N ARG A 12 4.258 3.004 3.050 1.00 0.00 N ATOM 234 CA ARG A 12 3.125 2.653 3.954 1.00 0.00 C ATOM 235 C ARG A 12 3.255 3.404 5.282 1.00 0.00 C ATOM 236 O ARG A 12 4.342 3.665 5.756 1.00 0.00 O ATOM 237 CB ARG A 12 3.248 1.145 4.175 1.00 0.00 C ATOM 238 CG ARG A 12 1.872 0.494 4.027 1.00 0.00 C ATOM 239 CD ARG A 12 1.144 0.523 5.372 1.00 0.00 C ATOM 240 NE ARG A 12 0.880 -0.905 5.699 1.00 0.00 N ATOM 241 CZ ARG A 12 0.322 -1.224 6.834 1.00 0.00 C ATOM 242 NH1 ARG A 12 -0.901 -0.848 7.089 1.00 0.00 N ATOM 243 NH2 ARG A 12 0.988 -1.918 7.716 1.00 0.00 N ATOM 0 H ARG A 12 5.142 2.543 3.266 1.00 0.00 H new ATOM 0 HA ARG A 12 2.158 2.925 3.530 1.00 0.00 H new ATOM 0 HB2 ARG A 12 3.944 0.717 3.454 1.00 0.00 H new ATOM 0 HB3 ARG A 12 3.652 0.944 5.167 1.00 0.00 H new ATOM 0 HG2 ARG A 12 1.287 1.023 3.274 1.00 0.00 H new ATOM 0 HG3 ARG A 12 1.980 -0.534 3.683 1.00 0.00 H new ATOM 0 HD2 ARG A 12 1.754 0.997 6.141 1.00 0.00 H new ATOM 0 HD3 ARG A 12 0.216 1.091 5.306 1.00 0.00 H new ATOM 0 HE ARG A 12 1.136 -1.635 5.034 1.00 0.00 H new ATOM 0 HH11 ARG A 12 -1.421 -0.304 6.401 1.00 0.00 H new ATOM 0 HH12 ARG A 12 -1.337 -1.098 7.977 1.00 0.00 H new ATOM 0 HH21 ARG A 12 1.945 -2.211 7.518 1.00 0.00 H new ATOM 0 HH22 ARG A 12 0.552 -2.168 8.604 1.00 0.00 H new ATOM 257 N LYS A 13 2.153 3.756 5.885 1.00 0.00 N ATOM 258 CA LYS A 13 2.212 4.490 7.181 1.00 0.00 C ATOM 259 C LYS A 13 1.662 3.616 8.312 1.00 0.00 C ATOM 260 O LYS A 13 0.750 4.004 9.014 1.00 0.00 O ATOM 261 CB LYS A 13 1.330 5.723 6.979 1.00 0.00 C ATOM 262 CG LYS A 13 2.195 6.983 7.027 1.00 0.00 C ATOM 263 CD LYS A 13 3.028 7.079 5.747 1.00 0.00 C ATOM 264 CE LYS A 13 4.504 7.249 6.111 1.00 0.00 C ATOM 265 NZ LYS A 13 4.871 8.601 5.608 1.00 0.00 N ATOM 0 H LYS A 13 1.213 3.567 5.536 1.00 0.00 H new ATOM 0 HA LYS A 13 3.232 4.759 7.456 1.00 0.00 H new ATOM 0 HB2 LYS A 13 0.813 5.660 6.021 1.00 0.00 H new ATOM 0 HB3 LYS A 13 0.564 5.766 7.753 1.00 0.00 H new ATOM 0 HG2 LYS A 13 1.565 7.866 7.130 1.00 0.00 H new ATOM 0 HG3 LYS A 13 2.849 6.955 7.898 1.00 0.00 H new ATOM 0 HD2 LYS A 13 2.892 6.181 5.144 1.00 0.00 H new ATOM 0 HD3 LYS A 13 2.692 7.922 5.144 1.00 0.00 H new ATOM 0 HE2 LYS A 13 4.656 7.174 7.188 1.00 0.00 H new ATOM 0 HE3 LYS A 13 5.117 6.476 5.648 1.00 0.00 H new ATOM 0 HZ1 LYS A 13 5.871 8.791 5.821 1.00 0.00 H new ATOM 0 HZ2 LYS A 13 4.722 8.641 4.579 1.00 0.00 H new ATOM 0 HZ3 LYS A 13 4.276 9.317 6.072 1.00 0.00 H new HETATM 279 N NH2 A 14 2.184 2.437 8.519 1.00 0.00 N TER 282 NH2 A 14