USER MOD reduce.3.24.130724 H: found=0, std=0, add=134, rem=0, adj=2 USER MOD reduce.3.24.130724 removed 136 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+ 156:sc= -0.937 (180deg=-2.01!) USER MOD Single : A 5 LYS NZ :NH3+ 166:sc= -0.468 (180deg=-0.98) USER MOD ----------------------------------------------------------------- ATOM 1 N ILE A 1 -17.946 2.349 2.990 1.00 0.00 N ATOM 2 CA ILE A 1 -16.660 3.102 2.935 1.00 0.00 C ATOM 3 C ILE A 1 -15.620 2.314 2.134 1.00 0.00 C ATOM 4 O ILE A 1 -15.815 1.159 1.811 1.00 0.00 O ATOM 5 CB ILE A 1 -16.216 3.242 4.391 1.00 0.00 C ATOM 6 CG1 ILE A 1 -16.395 1.904 5.112 1.00 0.00 C ATOM 7 CG2 ILE A 1 -17.065 4.310 5.084 1.00 0.00 C ATOM 8 CD1 ILE A 1 -15.807 1.999 6.520 1.00 0.00 C ATOM 0 H1 ILE A 1 -18.489 2.650 3.824 1.00 0.00 H new ATOM 0 H2 ILE A 1 -18.498 2.541 2.130 1.00 0.00 H new ATOM 0 H3 ILE A 1 -17.749 1.330 3.055 1.00 0.00 H new ATOM 0 HA ILE A 1 -16.772 4.071 2.448 1.00 0.00 H new ATOM 0 HB ILE A 1 -15.166 3.534 4.422 1.00 0.00 H new ATOM 0 HG12 ILE A 1 -17.453 1.646 5.165 1.00 0.00 H new ATOM 0 HG13 ILE A 1 -15.901 1.109 4.553 1.00 0.00 H new ATOM 0 HG21 ILE A 1 -16.748 4.410 6.122 1.00 0.00 H new ATOM 0 HG22 ILE A 1 -16.938 5.264 4.573 1.00 0.00 H new ATOM 0 HG23 ILE A 1 -18.115 4.018 5.051 1.00 0.00 H new ATOM 0 HD11 ILE A 1 -15.935 1.046 7.033 1.00 0.00 H new ATOM 0 HD12 ILE A 1 -14.745 2.237 6.456 1.00 0.00 H new ATOM 0 HD13 ILE A 1 -16.321 2.782 7.077 1.00 0.00 H new ATOM 22 N LEU A 2 -14.517 2.933 1.811 1.00 0.00 N ATOM 23 CA LEU A 2 -13.460 2.225 1.031 1.00 0.00 C ATOM 24 C LEU A 2 -13.293 0.791 1.542 1.00 0.00 C ATOM 25 O LEU A 2 -13.448 0.529 2.718 1.00 0.00 O ATOM 26 CB LEU A 2 -12.185 3.032 1.275 1.00 0.00 C ATOM 27 CG LEU A 2 -11.866 3.044 2.771 1.00 0.00 C ATOM 28 CD1 LEU A 2 -10.553 2.300 3.020 1.00 0.00 C ATOM 29 CD2 LEU A 2 -11.728 4.491 3.250 1.00 0.00 C ATOM 0 H LEU A 2 -14.301 3.900 2.054 1.00 0.00 H new ATOM 0 HA LEU A 2 -13.705 2.156 -0.029 1.00 0.00 H new ATOM 0 HB2 LEU A 2 -11.355 2.597 0.719 1.00 0.00 H new ATOM 0 HB3 LEU A 2 -12.312 4.052 0.911 1.00 0.00 H new ATOM 0 HG LEU A 2 -12.671 2.553 3.317 1.00 0.00 H new ATOM 0 HD11 LEU A 2 -10.326 2.309 4.086 1.00 0.00 H new ATOM 0 HD12 LEU A 2 -10.648 1.269 2.678 1.00 0.00 H new ATOM 0 HD13 LEU A 2 -9.747 2.791 2.474 1.00 0.00 H new ATOM 0 HD21 LEU A 2 -11.501 4.501 4.316 1.00 0.00 H new ATOM 0 HD22 LEU A 2 -10.922 4.980 2.702 1.00 0.00 H new ATOM 0 HD23 LEU A 2 -12.663 5.023 3.073 1.00 0.00 H new ATOM 41 N PRO A 3 -12.980 -0.090 0.632 1.00 0.00 N ATOM 42 CA PRO A 3 -12.788 -1.517 0.988 1.00 0.00 C ATOM 43 C PRO A 3 -11.468 -1.708 1.742 1.00 0.00 C ATOM 44 O PRO A 3 -10.827 -0.755 2.140 1.00 0.00 O ATOM 45 CB PRO A 3 -12.746 -2.220 -0.366 1.00 0.00 C ATOM 46 CG PRO A 3 -12.305 -1.169 -1.336 1.00 0.00 C ATOM 47 CD PRO A 3 -12.780 0.157 -0.799 1.00 0.00 C ATOM 0 HA PRO A 3 -13.570 -1.905 1.641 1.00 0.00 H new ATOM 0 HB2 PRO A 3 -12.052 -3.061 -0.353 1.00 0.00 H new ATOM 0 HB3 PRO A 3 -13.724 -2.619 -0.634 1.00 0.00 H new ATOM 0 HG2 PRO A 3 -11.220 -1.175 -1.443 1.00 0.00 H new ATOM 0 HG3 PRO A 3 -12.724 -1.357 -2.324 1.00 0.00 H new ATOM 0 HD2 PRO A 3 -12.044 0.943 -0.969 1.00 0.00 H new ATOM 0 HD3 PRO A 3 -13.704 0.475 -1.282 1.00 0.00 H new ATOM 55 N TRP A 4 -11.059 -2.930 1.941 1.00 0.00 N ATOM 56 CA TRP A 4 -9.778 -3.182 2.671 1.00 0.00 C ATOM 57 C TRP A 4 -8.920 -4.165 1.883 1.00 0.00 C ATOM 58 O TRP A 4 -8.426 -5.142 2.410 1.00 0.00 O ATOM 59 CB TRP A 4 -10.147 -3.793 4.031 1.00 0.00 C ATOM 60 CG TRP A 4 -11.630 -3.788 4.249 1.00 0.00 C ATOM 61 CD1 TRP A 4 -12.498 -4.672 3.705 1.00 0.00 C ATOM 62 CD2 TRP A 4 -12.428 -2.872 5.054 1.00 0.00 C ATOM 63 NE1 TRP A 4 -13.778 -4.358 4.126 1.00 0.00 N ATOM 64 CE2 TRP A 4 -13.787 -3.256 4.959 1.00 0.00 C ATOM 65 CE3 TRP A 4 -12.107 -1.757 5.848 1.00 0.00 C ATOM 66 CZ2 TRP A 4 -14.791 -2.559 5.630 1.00 0.00 C ATOM 67 CZ3 TRP A 4 -13.116 -1.053 6.525 1.00 0.00 C ATOM 68 CH2 TRP A 4 -14.456 -1.453 6.416 1.00 0.00 C ATOM 0 H TRP A 4 -11.554 -3.767 1.631 1.00 0.00 H new ATOM 0 HA TRP A 4 -9.214 -2.258 2.797 1.00 0.00 H new ATOM 0 HB2 TRP A 4 -9.773 -4.815 4.086 1.00 0.00 H new ATOM 0 HB3 TRP A 4 -9.659 -3.232 4.828 1.00 0.00 H new ATOM 0 HD1 TRP A 4 -12.235 -5.489 3.049 1.00 0.00 H new ATOM 0 HE1 TRP A 4 -14.613 -4.877 3.854 1.00 0.00 H new ATOM 0 HE3 TRP A 4 -11.078 -1.440 5.938 1.00 0.00 H new ATOM 0 HZ2 TRP A 4 -15.821 -2.872 5.543 1.00 0.00 H new ATOM 0 HZ3 TRP A 4 -12.859 -0.198 7.133 1.00 0.00 H new ATOM 0 HH2 TRP A 4 -15.228 -0.907 6.939 1.00 0.00 H new ATOM 79 N LYS A 5 -8.749 -3.917 0.623 1.00 0.00 N ATOM 80 CA LYS A 5 -7.932 -4.835 -0.217 1.00 0.00 C ATOM 81 C LYS A 5 -6.840 -4.059 -0.948 1.00 0.00 C ATOM 82 O LYS A 5 -6.213 -4.550 -1.865 1.00 0.00 O ATOM 83 CB LYS A 5 -8.920 -5.424 -1.214 1.00 0.00 C ATOM 84 CG LYS A 5 -9.294 -6.844 -0.786 1.00 0.00 C ATOM 85 CD LYS A 5 -10.791 -7.065 -1.008 1.00 0.00 C ATOM 86 CE LYS A 5 -11.586 -6.051 -0.181 1.00 0.00 C ATOM 87 NZ LYS A 5 -12.487 -5.381 -1.158 1.00 0.00 N ATOM 0 H LYS A 5 -9.141 -3.114 0.131 1.00 0.00 H new ATOM 0 HA LYS A 5 -7.431 -5.601 0.374 1.00 0.00 H new ATOM 0 HB2 LYS A 5 -9.813 -4.802 -1.267 1.00 0.00 H new ATOM 0 HB3 LYS A 5 -8.481 -5.437 -2.212 1.00 0.00 H new ATOM 0 HG2 LYS A 5 -8.719 -7.571 -1.359 1.00 0.00 H new ATOM 0 HG3 LYS A 5 -9.045 -6.997 0.264 1.00 0.00 H new ATOM 0 HD2 LYS A 5 -11.032 -6.957 -2.065 1.00 0.00 H new ATOM 0 HD3 LYS A 5 -11.066 -8.080 -0.721 1.00 0.00 H new ATOM 0 HE2 LYS A 5 -12.155 -6.544 0.607 1.00 0.00 H new ATOM 0 HE3 LYS A 5 -10.925 -5.332 0.304 1.00 0.00 H new ATOM 0 HZ1 LYS A 5 -13.221 -4.851 -0.646 1.00 0.00 H new ATOM 0 HZ2 LYS A 5 -11.934 -4.726 -1.747 1.00 0.00 H new ATOM 0 HZ3 LYS A 5 -12.936 -6.097 -1.764 1.00 0.00 H new ATOM 101 N TRP A 6 -6.617 -2.852 -0.541 1.00 0.00 N ATOM 102 CA TRP A 6 -5.580 -2.014 -1.181 1.00 0.00 C ATOM 103 C TRP A 6 -4.191 -2.647 -0.995 1.00 0.00 C ATOM 104 O TRP A 6 -3.955 -3.346 -0.030 1.00 0.00 O ATOM 105 CB TRP A 6 -5.698 -0.695 -0.441 1.00 0.00 C ATOM 106 CG TRP A 6 -4.635 0.206 -0.896 1.00 0.00 C ATOM 107 CD1 TRP A 6 -3.385 0.181 -0.451 1.00 0.00 C ATOM 108 CD2 TRP A 6 -4.717 1.247 -1.879 1.00 0.00 C ATOM 109 NE1 TRP A 6 -2.661 1.172 -1.100 1.00 0.00 N ATOM 110 CE2 TRP A 6 -3.455 1.862 -1.999 1.00 0.00 C ATOM 111 CE3 TRP A 6 -5.769 1.703 -2.662 1.00 0.00 C ATOM 112 CZ2 TRP A 6 -3.246 2.918 -2.886 1.00 0.00 C ATOM 113 CZ3 TRP A 6 -5.576 2.764 -3.562 1.00 0.00 C ATOM 114 CH2 TRP A 6 -4.313 3.373 -3.673 1.00 0.00 C ATOM 0 H TRP A 6 -7.119 -2.401 0.224 1.00 0.00 H new ATOM 0 HA TRP A 6 -5.708 -1.902 -2.258 1.00 0.00 H new ATOM 0 HB2 TRP A 6 -6.675 -0.247 -0.624 1.00 0.00 H new ATOM 0 HB3 TRP A 6 -5.618 -0.858 0.634 1.00 0.00 H new ATOM 0 HD1 TRP A 6 -2.995 -0.498 0.293 1.00 0.00 H new ATOM 0 HE1 TRP A 6 -1.673 1.366 -0.936 1.00 0.00 H new ATOM 0 HE3 TRP A 6 -6.741 1.239 -2.579 1.00 0.00 H new ATOM 0 HZ2 TRP A 6 -2.273 3.380 -2.966 1.00 0.00 H new ATOM 0 HZ3 TRP A 6 -6.398 3.113 -4.169 1.00 0.00 H new ATOM 0 HH2 TRP A 6 -4.166 4.190 -4.364 1.00 0.00 H new ATOM 125 N PRO A 7 -3.327 -2.408 -1.950 1.00 0.00 N ATOM 126 CA PRO A 7 -1.963 -2.990 -1.922 1.00 0.00 C ATOM 127 C PRO A 7 -0.931 -2.093 -1.215 1.00 0.00 C ATOM 128 O PRO A 7 -1.268 -1.131 -0.568 1.00 0.00 O ATOM 129 CB PRO A 7 -1.635 -3.127 -3.407 1.00 0.00 C ATOM 130 CG PRO A 7 -2.485 -2.101 -4.116 1.00 0.00 C ATOM 131 CD PRO A 7 -3.531 -1.595 -3.146 1.00 0.00 C ATOM 0 HA PRO A 7 -1.927 -3.924 -1.361 1.00 0.00 H new ATOM 0 HB2 PRO A 7 -0.575 -2.950 -3.591 1.00 0.00 H new ATOM 0 HB3 PRO A 7 -1.857 -4.132 -3.765 1.00 0.00 H new ATOM 0 HG2 PRO A 7 -1.867 -1.277 -4.471 1.00 0.00 H new ATOM 0 HG3 PRO A 7 -2.961 -2.543 -4.991 1.00 0.00 H new ATOM 0 HD2 PRO A 7 -3.399 -0.534 -2.935 1.00 0.00 H new ATOM 0 HD3 PRO A 7 -4.538 -1.718 -3.545 1.00 0.00 H new ATOM 139 N TRP A 8 0.335 -2.421 -1.353 1.00 0.00 N ATOM 140 CA TRP A 8 1.426 -1.629 -0.720 1.00 0.00 C ATOM 141 C TRP A 8 0.948 -0.931 0.553 1.00 0.00 C ATOM 142 O TRP A 8 0.559 0.220 0.537 1.00 0.00 O ATOM 143 CB TRP A 8 1.845 -0.624 -1.784 1.00 0.00 C ATOM 144 CG TRP A 8 1.807 -1.279 -3.129 1.00 0.00 C ATOM 145 CD1 TRP A 8 0.829 -1.112 -4.035 1.00 0.00 C ATOM 146 CD2 TRP A 8 2.753 -2.215 -3.713 1.00 0.00 C ATOM 147 NE1 TRP A 8 1.122 -1.864 -5.158 1.00 0.00 N ATOM 148 CE2 TRP A 8 2.301 -2.565 -5.006 1.00 0.00 C ATOM 149 CE3 TRP A 8 3.952 -2.778 -3.253 1.00 0.00 C ATOM 150 CZ2 TRP A 8 3.017 -3.447 -5.816 1.00 0.00 C ATOM 151 CZ3 TRP A 8 4.677 -3.669 -4.063 1.00 0.00 C ATOM 152 CH2 TRP A 8 4.211 -4.002 -5.344 1.00 0.00 C ATOM 0 H TRP A 8 0.658 -3.225 -1.892 1.00 0.00 H new ATOM 0 HA TRP A 8 2.257 -2.260 -0.406 1.00 0.00 H new ATOM 0 HB2 TRP A 8 1.178 0.238 -1.768 1.00 0.00 H new ATOM 0 HB3 TRP A 8 2.849 -0.254 -1.576 1.00 0.00 H new ATOM 0 HD1 TRP A 8 -0.045 -0.491 -3.907 1.00 0.00 H new ATOM 0 HE1 TRP A 8 0.539 -1.896 -5.995 1.00 0.00 H new ATOM 0 HE3 TRP A 8 4.321 -2.525 -2.270 1.00 0.00 H new ATOM 0 HZ2 TRP A 8 2.652 -3.699 -6.801 1.00 0.00 H new ATOM 0 HZ3 TRP A 8 5.598 -4.100 -3.698 1.00 0.00 H new ATOM 0 HH2 TRP A 8 4.773 -4.685 -5.964 1.00 0.00 H new ATOM 163 N TRP A 9 0.974 -1.625 1.657 1.00 0.00 N ATOM 164 CA TRP A 9 0.522 -1.015 2.937 1.00 0.00 C ATOM 165 C TRP A 9 1.040 0.423 3.055 1.00 0.00 C ATOM 166 O TRP A 9 2.084 0.752 2.528 1.00 0.00 O ATOM 167 CB TRP A 9 1.106 -1.912 4.028 1.00 0.00 C ATOM 168 CG TRP A 9 1.149 -1.167 5.317 1.00 0.00 C ATOM 169 CD1 TRP A 9 2.103 -0.284 5.659 1.00 0.00 C ATOM 170 CD2 TRP A 9 0.215 -1.216 6.427 1.00 0.00 C ATOM 171 NE1 TRP A 9 1.829 0.206 6.922 1.00 0.00 N ATOM 172 CE2 TRP A 9 0.669 -0.339 7.438 1.00 0.00 C ATOM 173 CE3 TRP A 9 -0.967 -1.934 6.647 1.00 0.00 C ATOM 174 CZ2 TRP A 9 -0.030 -0.183 8.635 1.00 0.00 C ATOM 175 CZ3 TRP A 9 -1.678 -1.780 7.849 1.00 0.00 C ATOM 176 CH2 TRP A 9 -1.209 -0.907 8.843 1.00 0.00 C ATOM 0 H TRP A 9 1.290 -2.592 1.727 1.00 0.00 H new ATOM 0 HA TRP A 9 -0.564 -0.953 3.010 1.00 0.00 H new ATOM 0 HB2 TRP A 9 0.500 -2.812 4.136 1.00 0.00 H new ATOM 0 HB3 TRP A 9 2.109 -2.235 3.749 1.00 0.00 H new ATOM 0 HD1 TRP A 9 2.947 -0.003 5.046 1.00 0.00 H new ATOM 0 HE1 TRP A 9 2.411 0.885 7.412 1.00 0.00 H new ATOM 0 HE3 TRP A 9 -1.334 -2.610 5.889 1.00 0.00 H new ATOM 0 HZ2 TRP A 9 0.336 0.491 9.395 1.00 0.00 H new ATOM 0 HZ3 TRP A 9 -2.590 -2.336 8.009 1.00 0.00 H new ATOM 0 HH2 TRP A 9 -1.757 -0.794 9.767 1.00 0.00 H new ATOM 187 N PRO A 10 0.276 1.240 3.737 1.00 0.00 N ATOM 188 CA PRO A 10 0.637 2.655 3.923 1.00 0.00 C ATOM 189 C PRO A 10 1.411 2.848 5.232 1.00 0.00 C ATOM 190 O PRO A 10 0.867 2.712 6.309 1.00 0.00 O ATOM 191 CB PRO A 10 -0.727 3.338 3.992 1.00 0.00 C ATOM 192 CG PRO A 10 -1.695 2.277 4.453 1.00 0.00 C ATOM 193 CD PRO A 10 -0.992 0.938 4.400 1.00 0.00 C ATOM 0 HA PRO A 10 1.281 3.050 3.137 1.00 0.00 H new ATOM 0 HB2 PRO A 10 -0.709 4.179 4.686 1.00 0.00 H new ATOM 0 HB3 PRO A 10 -1.016 3.734 3.018 1.00 0.00 H new ATOM 0 HG2 PRO A 10 -2.035 2.488 5.467 1.00 0.00 H new ATOM 0 HG3 PRO A 10 -2.579 2.267 3.816 1.00 0.00 H new ATOM 0 HD2 PRO A 10 -0.835 0.528 5.398 1.00 0.00 H new ATOM 0 HD3 PRO A 10 -1.571 0.203 3.841 1.00 0.00 H new ATOM 201 N TRP A 11 2.674 3.165 5.147 1.00 0.00 N ATOM 202 CA TRP A 11 3.477 3.366 6.373 1.00 0.00 C ATOM 203 C TRP A 11 3.801 4.853 6.538 1.00 0.00 C ATOM 204 O TRP A 11 3.254 5.697 5.856 1.00 0.00 O ATOM 205 CB TRP A 11 4.736 2.551 6.125 1.00 0.00 C ATOM 206 CG TRP A 11 5.374 3.024 4.877 1.00 0.00 C ATOM 207 CD1 TRP A 11 6.086 4.156 4.748 1.00 0.00 C ATOM 208 CD2 TRP A 11 5.350 2.396 3.581 1.00 0.00 C ATOM 209 NE1 TRP A 11 6.520 4.258 3.435 1.00 0.00 N ATOM 210 CE2 TRP A 11 6.085 3.187 2.675 1.00 0.00 C ATOM 211 CE3 TRP A 11 4.763 1.218 3.125 1.00 0.00 C ATOM 212 CZ2 TRP A 11 6.234 2.812 1.339 1.00 0.00 C ATOM 213 CZ3 TRP A 11 4.904 0.829 1.783 1.00 0.00 C ATOM 214 CH2 TRP A 11 5.639 1.626 0.890 1.00 0.00 C ATOM 0 H TRP A 11 3.182 3.293 4.272 1.00 0.00 H new ATOM 0 HA TRP A 11 2.965 3.057 7.284 1.00 0.00 H new ATOM 0 HB2 TRP A 11 5.424 2.656 6.964 1.00 0.00 H new ATOM 0 HB3 TRP A 11 4.490 1.492 6.045 1.00 0.00 H new ATOM 0 HD1 TRP A 11 6.287 4.868 5.535 1.00 0.00 H new ATOM 0 HE1 TRP A 11 7.088 5.025 3.075 1.00 0.00 H new ATOM 0 HE3 TRP A 11 4.197 0.601 3.807 1.00 0.00 H new ATOM 0 HZ2 TRP A 11 6.802 3.429 0.659 1.00 0.00 H new ATOM 0 HZ3 TRP A 11 4.446 -0.086 1.437 1.00 0.00 H new ATOM 0 HH2 TRP A 11 5.745 1.325 -0.142 1.00 0.00 H new ATOM 225 N ARG A 12 4.679 5.177 7.437 1.00 0.00 N ATOM 226 CA ARG A 12 5.039 6.608 7.653 1.00 0.00 C ATOM 227 C ARG A 12 5.971 7.094 6.539 1.00 0.00 C ATOM 228 O ARG A 12 7.038 7.617 6.791 1.00 0.00 O ATOM 229 CB ARG A 12 5.758 6.635 9.003 1.00 0.00 C ATOM 230 CG ARG A 12 6.058 8.084 9.392 1.00 0.00 C ATOM 231 CD ARG A 12 6.164 8.192 10.915 1.00 0.00 C ATOM 232 NE ARG A 12 7.596 8.501 11.179 1.00 0.00 N ATOM 233 CZ ARG A 12 7.919 9.342 12.124 1.00 0.00 C ATOM 234 NH1 ARG A 12 7.988 10.619 11.865 1.00 0.00 N ATOM 235 NH2 ARG A 12 8.171 8.905 13.328 1.00 0.00 N ATOM 0 H ARG A 12 5.168 4.513 8.037 1.00 0.00 H new ATOM 0 HA ARG A 12 4.165 7.260 7.642 1.00 0.00 H new ATOM 0 HB2 ARG A 12 5.139 6.163 9.766 1.00 0.00 H new ATOM 0 HB3 ARG A 12 6.684 6.063 8.945 1.00 0.00 H new ATOM 0 HG2 ARG A 12 6.988 8.411 8.928 1.00 0.00 H new ATOM 0 HG3 ARG A 12 5.270 8.741 9.024 1.00 0.00 H new ATOM 0 HD2 ARG A 12 5.513 8.976 11.302 1.00 0.00 H new ATOM 0 HD3 ARG A 12 5.865 7.262 11.399 1.00 0.00 H new ATOM 0 HE ARG A 12 8.325 8.056 10.622 1.00 0.00 H new ATOM 0 HH11 ARG A 12 7.790 10.960 10.924 1.00 0.00 H new ATOM 0 HH12 ARG A 12 8.240 11.276 12.603 1.00 0.00 H new ATOM 0 HH21 ARG A 12 8.116 7.907 13.530 1.00 0.00 H new ATOM 0 HH22 ARG A 12 8.423 9.562 14.066 1.00 0.00 H new ATOM 249 N ARG A 13 5.575 6.924 5.307 1.00 0.00 N ATOM 250 CA ARG A 13 6.438 7.375 4.177 1.00 0.00 C ATOM 251 C ARG A 13 6.783 8.858 4.334 1.00 0.00 C ATOM 252 O ARG A 13 7.770 9.328 3.804 1.00 0.00 O ATOM 253 CB ARG A 13 5.593 7.151 2.921 1.00 0.00 C ATOM 254 CG ARG A 13 4.380 8.083 2.949 1.00 0.00 C ATOM 255 CD ARG A 13 3.393 7.668 1.857 1.00 0.00 C ATOM 256 NE ARG A 13 3.171 8.900 1.051 1.00 0.00 N ATOM 257 CZ ARG A 13 2.458 8.846 -0.040 1.00 0.00 C ATOM 258 NH1 ARG A 13 1.167 9.035 0.014 1.00 0.00 N ATOM 259 NH2 ARG A 13 3.034 8.604 -1.185 1.00 0.00 N ATOM 0 H ARG A 13 4.692 6.493 5.034 1.00 0.00 H new ATOM 0 HA ARG A 13 7.382 6.832 4.136 1.00 0.00 H new ATOM 0 HB2 ARG A 13 6.190 7.341 2.029 1.00 0.00 H new ATOM 0 HB3 ARG A 13 5.266 6.112 2.870 1.00 0.00 H new ATOM 0 HG2 ARG A 13 3.898 8.040 3.925 1.00 0.00 H new ATOM 0 HG3 ARG A 13 4.697 9.114 2.795 1.00 0.00 H new ATOM 0 HD2 ARG A 13 3.798 6.863 1.244 1.00 0.00 H new ATOM 0 HD3 ARG A 13 2.460 7.303 2.286 1.00 0.00 H new ATOM 0 HE ARG A 13 3.576 9.786 1.352 1.00 0.00 H new ATOM 0 HH11 ARG A 13 0.716 9.225 0.909 1.00 0.00 H new ATOM 0 HH12 ARG A 13 0.609 8.993 -0.839 1.00 0.00 H new ATOM 0 HH21 ARG A 13 4.042 8.457 -1.228 1.00 0.00 H new ATOM 0 HH22 ARG A 13 2.476 8.562 -2.038 1.00 0.00 H new HETATM 273 N NH2 A 14 6.003 9.624 5.048 1.00 0.00 N TER 276 NH2 A 14