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+ -124:sc= -1.22 (180deg=-2.88!) USER MOD Single : A 5 LYS NZ :NH3+ -169:sc= 0 (180deg=-0.135) USER MOD ----------------------------------------------------------------- ATOM 1 N ILE A 1 -17.497 -5.782 5.031 1.00 0.00 N ATOM 2 CA ILE A 1 -16.278 -5.109 4.487 1.00 0.00 C ATOM 3 C ILE A 1 -15.245 -4.905 5.598 1.00 0.00 C ATOM 4 O ILE A 1 -15.585 -4.628 6.732 1.00 0.00 O ATOM 5 CB ILE A 1 -16.766 -3.759 3.956 1.00 0.00 C ATOM 6 CG1 ILE A 1 -17.535 -3.029 5.058 1.00 0.00 C ATOM 7 CG2 ILE A 1 -17.688 -3.986 2.757 1.00 0.00 C ATOM 8 CD1 ILE A 1 -16.882 -1.673 5.326 1.00 0.00 C ATOM 0 H1 ILE A 1 -17.684 -6.651 4.491 1.00 0.00 H new ATOM 0 H2 ILE A 1 -17.344 -6.023 6.031 1.00 0.00 H new ATOM 0 H3 ILE A 1 -18.312 -5.141 4.950 1.00 0.00 H new ATOM 0 HA ILE A 1 -15.797 -5.701 3.709 1.00 0.00 H new ATOM 0 HB ILE A 1 -15.911 -3.158 3.648 1.00 0.00 H new ATOM 0 HG12 ILE A 1 -18.574 -2.891 4.760 1.00 0.00 H new ATOM 0 HG13 ILE A 1 -17.541 -3.628 5.969 1.00 0.00 H new ATOM 0 HG21 ILE A 1 -18.036 -3.025 2.378 1.00 0.00 H new ATOM 0 HG22 ILE A 1 -17.142 -4.509 1.972 1.00 0.00 H new ATOM 0 HG23 ILE A 1 -18.544 -4.586 3.065 1.00 0.00 H new ATOM 0 HD11 ILE A 1 -17.431 -1.154 6.112 1.00 0.00 H new ATOM 0 HD12 ILE A 1 -15.850 -1.822 5.643 1.00 0.00 H new ATOM 0 HD13 ILE A 1 -16.899 -1.075 4.415 1.00 0.00 H new ATOM 22 N LEU A 2 -13.987 -5.040 5.281 1.00 0.00 N ATOM 23 CA LEU A 2 -12.931 -4.856 6.318 1.00 0.00 C ATOM 24 C LEU A 2 -11.731 -4.119 5.721 1.00 0.00 C ATOM 25 O LEU A 2 -11.602 -4.017 4.516 1.00 0.00 O ATOM 26 CB LEU A 2 -12.542 -6.275 6.738 1.00 0.00 C ATOM 27 CG LEU A 2 -12.000 -7.039 5.529 1.00 0.00 C ATOM 28 CD1 LEU A 2 -10.767 -7.847 5.945 1.00 0.00 C ATOM 29 CD2 LEU A 2 -13.078 -7.991 5.005 1.00 0.00 C ATOM 0 H LEU A 2 -13.644 -5.270 4.348 1.00 0.00 H new ATOM 0 HA LEU A 2 -13.276 -4.262 7.164 1.00 0.00 H new ATOM 0 HB2 LEU A 2 -11.789 -6.238 7.525 1.00 0.00 H new ATOM 0 HB3 LEU A 2 -13.408 -6.793 7.150 1.00 0.00 H new ATOM 0 HG LEU A 2 -11.724 -6.332 4.746 1.00 0.00 H new ATOM 0 HD11 LEU A 2 -10.381 -8.391 5.083 1.00 0.00 H new ATOM 0 HD12 LEU A 2 -9.999 -7.171 6.321 1.00 0.00 H new ATOM 0 HD13 LEU A 2 -11.042 -8.554 6.727 1.00 0.00 H new ATOM 0 HD21 LEU A 2 -12.694 -8.537 4.143 1.00 0.00 H new ATOM 0 HD22 LEU A 2 -13.352 -8.697 5.789 1.00 0.00 H new ATOM 0 HD23 LEU A 2 -13.957 -7.418 4.709 1.00 0.00 H new ATOM 41 N PRO A 3 -10.885 -3.629 6.586 1.00 0.00 N ATOM 42 CA PRO A 3 -9.679 -2.892 6.139 1.00 0.00 C ATOM 43 C PRO A 3 -8.670 -3.851 5.501 1.00 0.00 C ATOM 44 O PRO A 3 -7.729 -4.287 6.131 1.00 0.00 O ATOM 45 CB PRO A 3 -9.121 -2.298 7.428 1.00 0.00 C ATOM 46 CG PRO A 3 -9.641 -3.180 8.518 1.00 0.00 C ATOM 47 CD PRO A 3 -10.970 -3.711 8.050 1.00 0.00 C ATOM 0 HA PRO A 3 -9.897 -2.135 5.386 1.00 0.00 H new ATOM 0 HB2 PRO A 3 -8.031 -2.285 7.417 1.00 0.00 H new ATOM 0 HB3 PRO A 3 -9.451 -1.268 7.563 1.00 0.00 H new ATOM 0 HG2 PRO A 3 -8.947 -3.996 8.719 1.00 0.00 H new ATOM 0 HG3 PRO A 3 -9.753 -2.621 9.447 1.00 0.00 H new ATOM 0 HD2 PRO A 3 -11.131 -4.736 8.384 1.00 0.00 H new ATOM 0 HD3 PRO A 3 -11.797 -3.116 8.437 1.00 0.00 H new ATOM 55 N TRP A 4 -8.859 -4.177 4.249 1.00 0.00 N ATOM 56 CA TRP A 4 -7.912 -5.105 3.570 1.00 0.00 C ATOM 57 C TRP A 4 -8.318 -5.303 2.107 1.00 0.00 C ATOM 58 O TRP A 4 -8.713 -6.378 1.703 1.00 0.00 O ATOM 59 CB TRP A 4 -8.024 -6.420 4.340 1.00 0.00 C ATOM 60 CG TRP A 4 -6.836 -7.273 4.048 1.00 0.00 C ATOM 61 CD1 TRP A 4 -6.519 -7.794 2.841 1.00 0.00 C ATOM 62 CD2 TRP A 4 -5.801 -7.715 4.968 1.00 0.00 C ATOM 63 NE1 TRP A 4 -5.352 -8.528 2.963 1.00 0.00 N ATOM 64 CE2 TRP A 4 -4.870 -8.509 4.257 1.00 0.00 C ATOM 65 CE3 TRP A 4 -5.586 -7.502 6.337 1.00 0.00 C ATOM 66 CZ2 TRP A 4 -3.762 -9.074 4.887 1.00 0.00 C ATOM 67 CZ3 TRP A 4 -4.470 -8.068 6.978 1.00 0.00 C ATOM 68 CH2 TRP A 4 -3.560 -8.852 6.253 1.00 0.00 C ATOM 0 H TRP A 4 -9.628 -3.840 3.669 1.00 0.00 H new ATOM 0 HA TRP A 4 -6.892 -4.721 3.566 1.00 0.00 H new ATOM 0 HB2 TRP A 4 -8.088 -6.222 5.410 1.00 0.00 H new ATOM 0 HB3 TRP A 4 -8.938 -6.942 4.057 1.00 0.00 H new ATOM 0 HD1 TRP A 4 -7.084 -7.659 1.931 1.00 0.00 H new ATOM 0 HE1 TRP A 4 -4.903 -9.022 2.192 1.00 0.00 H new ATOM 0 HE3 TRP A 4 -6.282 -6.900 6.902 1.00 0.00 H new ATOM 0 HZ2 TRP A 4 -3.065 -9.678 4.325 1.00 0.00 H new ATOM 0 HZ3 TRP A 4 -4.313 -7.899 8.033 1.00 0.00 H new ATOM 0 HH2 TRP A 4 -2.704 -9.284 6.750 1.00 0.00 H new ATOM 79 N LYS A 5 -8.236 -4.270 1.315 1.00 0.00 N ATOM 80 CA LYS A 5 -8.623 -4.394 -0.111 1.00 0.00 C ATOM 81 C LYS A 5 -7.708 -3.528 -0.982 1.00 0.00 C ATOM 82 O LYS A 5 -8.043 -3.183 -2.100 1.00 0.00 O ATOM 83 CB LYS A 5 -10.053 -3.874 -0.153 1.00 0.00 C ATOM 84 CG LYS A 5 -11.016 -5.006 0.208 1.00 0.00 C ATOM 85 CD LYS A 5 -12.391 -4.423 0.538 1.00 0.00 C ATOM 86 CE LYS A 5 -13.395 -4.829 -0.541 1.00 0.00 C ATOM 87 NZ LYS A 5 -13.021 -4.027 -1.739 1.00 0.00 N ATOM 0 H LYS A 5 -7.916 -3.344 1.598 1.00 0.00 H new ATOM 0 HA LYS A 5 -8.540 -5.414 -0.487 1.00 0.00 H new ATOM 0 HB2 LYS A 5 -10.171 -3.045 0.545 1.00 0.00 H new ATOM 0 HB3 LYS A 5 -10.283 -3.489 -1.147 1.00 0.00 H new ATOM 0 HG2 LYS A 5 -11.097 -5.707 -0.623 1.00 0.00 H new ATOM 0 HG3 LYS A 5 -10.632 -5.565 1.061 1.00 0.00 H new ATOM 0 HD2 LYS A 5 -12.724 -4.781 1.512 1.00 0.00 H new ATOM 0 HD3 LYS A 5 -12.330 -3.337 0.602 1.00 0.00 H new ATOM 0 HE2 LYS A 5 -13.340 -5.898 -0.749 1.00 0.00 H new ATOM 0 HE3 LYS A 5 -14.417 -4.617 -0.228 1.00 0.00 H new ATOM 0 HZ1 LYS A 5 -13.768 -4.107 -2.458 1.00 0.00 H new ATOM 0 HZ2 LYS A 5 -12.908 -3.029 -1.467 1.00 0.00 H new ATOM 0 HZ3 LYS A 5 -12.125 -4.383 -2.130 1.00 0.00 H new ATOM 101 N TRP A 6 -6.561 -3.170 -0.477 1.00 0.00 N ATOM 102 CA TRP A 6 -5.626 -2.322 -1.273 1.00 0.00 C ATOM 103 C TRP A 6 -4.183 -2.797 -1.097 1.00 0.00 C ATOM 104 O TRP A 6 -3.812 -3.291 -0.051 1.00 0.00 O ATOM 105 CB TRP A 6 -5.810 -0.917 -0.726 1.00 0.00 C ATOM 106 CG TRP A 6 -4.841 -0.005 -1.383 1.00 0.00 C ATOM 107 CD1 TRP A 6 -3.511 -0.083 -1.247 1.00 0.00 C ATOM 108 CD2 TRP A 6 -5.105 1.105 -2.274 1.00 0.00 C ATOM 109 NE1 TRP A 6 -2.923 0.925 -1.994 1.00 0.00 N ATOM 110 CE2 TRP A 6 -3.873 1.688 -2.648 1.00 0.00 C ATOM 111 CE3 TRP A 6 -6.284 1.657 -2.781 1.00 0.00 C ATOM 112 CZ2 TRP A 6 -3.816 2.788 -3.505 1.00 0.00 C ATOM 113 CZ3 TRP A 6 -6.238 2.765 -3.645 1.00 0.00 C ATOM 114 CH2 TRP A 6 -5.005 3.330 -4.005 1.00 0.00 C ATOM 0 H TRP A 6 -6.229 -3.427 0.453 1.00 0.00 H new ATOM 0 HA TRP A 6 -5.834 -2.371 -2.342 1.00 0.00 H new ATOM 0 HB2 TRP A 6 -6.829 -0.575 -0.906 1.00 0.00 H new ATOM 0 HB3 TRP A 6 -5.658 -0.912 0.353 1.00 0.00 H new ATOM 0 HD1 TRP A 6 -2.983 -0.813 -0.652 1.00 0.00 H new ATOM 0 HE1 TRP A 6 -1.917 1.084 -2.054 1.00 0.00 H new ATOM 0 HE3 TRP A 6 -7.237 1.230 -2.507 1.00 0.00 H new ATOM 0 HZ2 TRP A 6 -2.863 3.217 -3.780 1.00 0.00 H new ATOM 0 HZ3 TRP A 6 -7.155 3.183 -4.033 1.00 0.00 H new ATOM 0 HH2 TRP A 6 -4.974 4.182 -4.667 1.00 0.00 H new ATOM 125 N PRO A 7 -3.419 -2.636 -2.144 1.00 0.00 N ATOM 126 CA PRO A 7 -2.004 -3.059 -2.131 1.00 0.00 C ATOM 127 C PRO A 7 -1.109 -1.941 -1.585 1.00 0.00 C ATOM 128 O PRO A 7 -1.171 -0.810 -2.026 1.00 0.00 O ATOM 129 CB PRO A 7 -1.709 -3.318 -3.604 1.00 0.00 C ATOM 130 CG PRO A 7 -2.691 -2.478 -4.374 1.00 0.00 C ATOM 131 CD PRO A 7 -3.797 -2.053 -3.433 1.00 0.00 C ATOM 0 HA PRO A 7 -1.819 -3.926 -1.497 1.00 0.00 H new ATOM 0 HB2 PRO A 7 -0.683 -3.045 -3.851 1.00 0.00 H new ATOM 0 HB3 PRO A 7 -1.825 -4.375 -3.846 1.00 0.00 H new ATOM 0 HG2 PRO A 7 -2.194 -1.604 -4.795 1.00 0.00 H new ATOM 0 HG3 PRO A 7 -3.101 -3.045 -5.210 1.00 0.00 H new ATOM 0 HD2 PRO A 7 -3.872 -0.967 -3.372 1.00 0.00 H new ATOM 0 HD3 PRO A 7 -4.767 -2.421 -3.767 1.00 0.00 H new ATOM 139 N TRP A 8 -0.270 -2.252 -0.632 1.00 0.00 N ATOM 140 CA TRP A 8 0.630 -1.207 -0.062 1.00 0.00 C ATOM 141 C TRP A 8 1.565 -1.827 0.982 1.00 0.00 C ATOM 142 O TRP A 8 1.369 -1.669 2.168 1.00 0.00 O ATOM 143 CB TRP A 8 -0.302 -0.204 0.611 1.00 0.00 C ATOM 144 CG TRP A 8 0.450 1.036 0.958 1.00 0.00 C ATOM 145 CD1 TRP A 8 1.381 1.656 0.193 1.00 0.00 C ATOM 146 CD2 TRP A 8 0.329 1.811 2.164 1.00 0.00 C ATOM 147 NE1 TRP A 8 1.840 2.771 0.880 1.00 0.00 N ATOM 148 CE2 TRP A 8 1.217 2.904 2.107 1.00 0.00 C ATOM 149 CE3 TRP A 8 -0.469 1.654 3.293 1.00 0.00 C ATOM 150 CZ2 TRP A 8 1.309 3.822 3.153 1.00 0.00 C ATOM 151 CZ3 TRP A 8 -0.389 2.568 4.354 1.00 0.00 C ATOM 152 CH2 TRP A 8 0.502 3.651 4.286 1.00 0.00 C ATOM 0 H TRP A 8 -0.169 -3.182 -0.225 1.00 0.00 H new ATOM 0 HA TRP A 8 1.254 -0.745 -0.827 1.00 0.00 H new ATOM 0 HB2 TRP A 8 -1.131 0.038 -0.054 1.00 0.00 H new ATOM 0 HB3 TRP A 8 -0.733 -0.642 1.511 1.00 0.00 H new ATOM 0 HD1 TRP A 8 1.710 1.337 -0.785 1.00 0.00 H new ATOM 0 HE1 TRP A 8 2.549 3.412 0.524 1.00 0.00 H new ATOM 0 HE3 TRP A 8 -1.155 0.822 3.353 1.00 0.00 H new ATOM 0 HZ2 TRP A 8 1.994 4.655 3.091 1.00 0.00 H new ATOM 0 HZ3 TRP A 8 -1.014 2.438 5.225 1.00 0.00 H new ATOM 0 HH2 TRP A 8 0.565 4.351 5.106 1.00 0.00 H new ATOM 163 N TRP A 9 2.576 -2.528 0.552 1.00 0.00 N ATOM 164 CA TRP A 9 3.517 -3.152 1.528 1.00 0.00 C ATOM 165 C TRP A 9 4.637 -2.172 1.894 1.00 0.00 C ATOM 166 O TRP A 9 5.505 -1.897 1.091 1.00 0.00 O ATOM 167 CB TRP A 9 4.094 -4.367 0.800 1.00 0.00 C ATOM 168 CG TRP A 9 3.510 -5.625 1.358 1.00 0.00 C ATOM 169 CD1 TRP A 9 4.117 -6.834 1.367 1.00 0.00 C ATOM 170 CD2 TRP A 9 2.220 -5.809 1.987 1.00 0.00 C ATOM 171 NE1 TRP A 9 3.270 -7.751 1.968 1.00 0.00 N ATOM 172 CE2 TRP A 9 2.086 -7.164 2.369 1.00 0.00 C ATOM 173 CE3 TRP A 9 1.168 -4.934 2.260 1.00 0.00 C ATOM 174 CZ2 TRP A 9 0.935 -7.632 3.004 1.00 0.00 C ATOM 175 CZ3 TRP A 9 0.004 -5.396 2.899 1.00 0.00 C ATOM 176 CH2 TRP A 9 -0.112 -6.743 3.271 1.00 0.00 C ATOM 0 H TRP A 9 2.793 -2.697 -0.430 1.00 0.00 H new ATOM 0 HA TRP A 9 3.019 -3.427 2.458 1.00 0.00 H new ATOM 0 HB2 TRP A 9 3.878 -4.298 -0.266 1.00 0.00 H new ATOM 0 HB3 TRP A 9 5.179 -4.382 0.905 1.00 0.00 H new ATOM 0 HD1 TRP A 9 5.099 -7.049 0.971 1.00 0.00 H new ATOM 0 HE1 TRP A 9 3.493 -8.738 2.098 1.00 0.00 H new ATOM 0 HE3 TRP A 9 1.248 -3.894 1.978 1.00 0.00 H new ATOM 0 HZ2 TRP A 9 0.853 -8.671 3.287 1.00 0.00 H new ATOM 0 HZ3 TRP A 9 -0.805 -4.710 3.104 1.00 0.00 H new ATOM 0 HH2 TRP A 9 -1.008 -7.094 3.763 1.00 0.00 H new ATOM 187 N PRO A 10 4.581 -1.679 3.105 1.00 0.00 N ATOM 188 CA PRO A 10 5.611 -0.724 3.585 1.00 0.00 C ATOM 189 C PRO A 10 6.932 -1.455 3.837 1.00 0.00 C ATOM 190 O PRO A 10 6.950 -2.629 4.149 1.00 0.00 O ATOM 191 CB PRO A 10 5.028 -0.193 4.890 1.00 0.00 C ATOM 192 CG PRO A 10 4.097 -1.263 5.360 1.00 0.00 C ATOM 193 CD PRO A 10 3.573 -1.958 4.131 1.00 0.00 C ATOM 0 HA PRO A 10 5.830 0.069 2.870 1.00 0.00 H new ATOM 0 HB2 PRO A 10 5.811 -0.001 5.623 1.00 0.00 H new ATOM 0 HB3 PRO A 10 4.501 0.748 4.733 1.00 0.00 H new ATOM 0 HG2 PRO A 10 4.615 -1.967 6.011 1.00 0.00 H new ATOM 0 HG3 PRO A 10 3.279 -0.836 5.940 1.00 0.00 H new ATOM 0 HD2 PRO A 10 3.459 -3.029 4.297 1.00 0.00 H new ATOM 0 HD3 PRO A 10 2.594 -1.574 3.843 1.00 0.00 H new ATOM 201 N TRP A 11 8.032 -0.762 3.685 1.00 0.00 N ATOM 202 CA TRP A 11 9.385 -1.389 3.894 1.00 0.00 C ATOM 203 C TRP A 11 9.330 -2.532 4.906 1.00 0.00 C ATOM 204 O TRP A 11 9.669 -3.659 4.605 1.00 0.00 O ATOM 205 CB TRP A 11 10.334 -0.302 4.415 1.00 0.00 C ATOM 206 CG TRP A 11 9.630 0.988 4.633 1.00 0.00 C ATOM 207 CD1 TRP A 11 8.683 1.222 5.554 1.00 0.00 C ATOM 208 CD2 TRP A 11 9.806 2.207 3.899 1.00 0.00 C ATOM 209 NE1 TRP A 11 8.278 2.545 5.444 1.00 0.00 N ATOM 210 CE2 TRP A 11 8.951 3.193 4.424 1.00 0.00 C ATOM 211 CE3 TRP A 11 10.638 2.530 2.836 1.00 0.00 C ATOM 212 CZ2 TRP A 11 8.927 4.486 3.899 1.00 0.00 C ATOM 213 CZ3 TRP A 11 10.625 3.825 2.292 1.00 0.00 C ATOM 214 CH2 TRP A 11 9.770 4.804 2.826 1.00 0.00 C ATOM 0 H TRP A 11 8.057 0.223 3.422 1.00 0.00 H new ATOM 0 HA TRP A 11 9.732 -1.802 2.947 1.00 0.00 H new ATOM 0 HB2 TRP A 11 10.786 -0.632 5.351 1.00 0.00 H new ATOM 0 HB3 TRP A 11 11.146 -0.157 3.703 1.00 0.00 H new ATOM 0 HD1 TRP A 11 8.300 0.502 6.262 1.00 0.00 H new ATOM 0 HE1 TRP A 11 7.575 2.983 6.039 1.00 0.00 H new ATOM 0 HE3 TRP A 11 11.299 1.781 2.425 1.00 0.00 H new ATOM 0 HZ2 TRP A 11 8.267 5.232 4.315 1.00 0.00 H new ATOM 0 HZ3 TRP A 11 11.273 4.068 1.463 1.00 0.00 H new ATOM 0 HH2 TRP A 11 9.763 5.801 2.410 1.00 0.00 H new ATOM 225 N ARG A 12 8.924 -2.228 6.104 1.00 0.00 N ATOM 226 CA ARG A 12 8.849 -3.263 7.182 1.00 0.00 C ATOM 227 C ARG A 12 8.507 -4.638 6.603 1.00 0.00 C ATOM 228 O ARG A 12 7.479 -4.826 5.982 1.00 0.00 O ATOM 229 CB ARG A 12 7.739 -2.792 8.118 1.00 0.00 C ATOM 230 CG ARG A 12 8.272 -2.715 9.551 1.00 0.00 C ATOM 231 CD ARG A 12 8.969 -4.029 9.918 1.00 0.00 C ATOM 232 NE ARG A 12 8.015 -5.101 9.520 1.00 0.00 N ATOM 233 CZ ARG A 12 6.950 -5.328 10.239 1.00 0.00 C ATOM 234 NH1 ARG A 12 7.059 -5.501 11.528 1.00 0.00 N ATOM 235 NH2 ARG A 12 5.778 -5.380 9.670 1.00 0.00 N ATOM 0 H ARG A 12 8.635 -1.293 6.391 1.00 0.00 H new ATOM 0 HA ARG A 12 9.804 -3.371 7.697 1.00 0.00 H new ATOM 0 HB2 ARG A 12 7.374 -1.815 7.802 1.00 0.00 H new ATOM 0 HB3 ARG A 12 6.894 -3.479 8.070 1.00 0.00 H new ATOM 0 HG2 ARG A 12 8.971 -1.884 9.644 1.00 0.00 H new ATOM 0 HG3 ARG A 12 7.453 -2.522 10.243 1.00 0.00 H new ATOM 0 HD2 ARG A 12 9.918 -4.131 9.392 1.00 0.00 H new ATOM 0 HD3 ARG A 12 9.189 -4.074 10.985 1.00 0.00 H new ATOM 0 HE ARG A 12 8.194 -5.658 8.685 1.00 0.00 H new ATOM 0 HH11 ARG A 12 7.976 -5.459 11.972 1.00 0.00 H new ATOM 0 HH12 ARG A 12 6.227 -5.678 12.091 1.00 0.00 H new ATOM 0 HH21 ARG A 12 5.694 -5.243 8.663 1.00 0.00 H new ATOM 0 HH22 ARG A 12 4.946 -5.557 10.232 1.00 0.00 H new ATOM 249 N ARG A 13 9.366 -5.601 6.802 1.00 0.00 N ATOM 250 CA ARG A 13 9.101 -6.963 6.263 1.00 0.00 C ATOM 251 C ARG A 13 8.427 -7.830 7.331 1.00 0.00 C ATOM 252 O ARG A 13 8.335 -7.446 8.479 1.00 0.00 O ATOM 253 CB ARG A 13 10.483 -7.516 5.920 1.00 0.00 C ATOM 254 CG ARG A 13 10.551 -7.835 4.425 1.00 0.00 C ATOM 255 CD ARG A 13 11.868 -8.552 4.114 1.00 0.00 C ATOM 256 NE ARG A 13 12.828 -7.465 3.772 1.00 0.00 N ATOM 257 CZ ARG A 13 13.791 -7.687 2.922 1.00 0.00 C ATOM 258 NH1 ARG A 13 14.274 -8.893 2.781 1.00 0.00 N ATOM 259 NH2 ARG A 13 14.273 -6.705 2.208 1.00 0.00 N ATOM 0 H ARG A 13 10.241 -5.502 7.316 1.00 0.00 H new ATOM 0 HA ARG A 13 8.436 -6.950 5.399 1.00 0.00 H new ATOM 0 HB2 ARG A 13 11.252 -6.790 6.183 1.00 0.00 H new ATOM 0 HB3 ARG A 13 10.681 -8.415 6.503 1.00 0.00 H new ATOM 0 HG2 ARG A 13 9.707 -8.462 4.138 1.00 0.00 H new ATOM 0 HG3 ARG A 13 10.479 -6.916 3.843 1.00 0.00 H new ATOM 0 HD2 ARG A 13 12.215 -9.130 4.971 1.00 0.00 H new ATOM 0 HD3 ARG A 13 11.751 -9.250 3.285 1.00 0.00 H new ATOM 0 HE ARG A 13 12.731 -6.546 4.204 1.00 0.00 H new ATOM 0 HH11 ARG A 13 13.897 -9.661 3.336 1.00 0.00 H new ATOM 0 HH12 ARG A 13 15.028 -9.066 2.116 1.00 0.00 H new ATOM 0 HH21 ARG A 13 13.896 -5.763 2.315 1.00 0.00 H new ATOM 0 HH22 ARG A 13 15.027 -6.880 1.543 1.00 0.00 H new HETATM 273 N NH2 A 14 7.950 -8.998 6.996 1.00 0.00 N TER 276 NH2 A 14