USER MOD reduce.3.24.130724 H: found=0, std=0, add=134, rem=0, adj=1 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+ -144:sc= 0.0384 (180deg=0) USER MOD Single : A 5 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD ----------------------------------------------------------------- ATOM 1 N ILE A 1 -17.134 -6.649 5.269 1.00 0.00 N ATOM 2 CA ILE A 1 -16.354 -6.932 4.031 1.00 0.00 C ATOM 3 C ILE A 1 -14.851 -6.961 4.340 1.00 0.00 C ATOM 4 O ILE A 1 -14.443 -7.242 5.449 1.00 0.00 O ATOM 5 CB ILE A 1 -16.714 -5.793 3.075 1.00 0.00 C ATOM 6 CG1 ILE A 1 -16.538 -6.260 1.628 1.00 0.00 C ATOM 7 CG2 ILE A 1 -15.815 -4.591 3.337 1.00 0.00 C ATOM 8 CD1 ILE A 1 -17.912 -6.498 0.999 1.00 0.00 C ATOM 0 H1 ILE A 1 -18.023 -7.188 5.250 1.00 0.00 H new ATOM 0 H2 ILE A 1 -16.577 -6.929 6.102 1.00 0.00 H new ATOM 0 H3 ILE A 1 -17.347 -5.632 5.320 1.00 0.00 H new ATOM 0 HA ILE A 1 -16.588 -7.905 3.598 1.00 0.00 H new ATOM 0 HB ILE A 1 -17.752 -5.505 3.239 1.00 0.00 H new ATOM 0 HG12 ILE A 1 -15.989 -5.511 1.057 1.00 0.00 H new ATOM 0 HG13 ILE A 1 -15.949 -7.177 1.599 1.00 0.00 H new ATOM 0 HG21 ILE A 1 -16.077 -3.784 2.653 1.00 0.00 H new ATOM 0 HG22 ILE A 1 -15.949 -4.253 4.365 1.00 0.00 H new ATOM 0 HG23 ILE A 1 -14.774 -4.874 3.182 1.00 0.00 H new ATOM 0 HD11 ILE A 1 -17.788 -6.831 -0.032 1.00 0.00 H new ATOM 0 HD12 ILE A 1 -18.444 -7.262 1.565 1.00 0.00 H new ATOM 0 HD13 ILE A 1 -18.485 -5.571 1.014 1.00 0.00 H new ATOM 22 N LEU A 2 -14.029 -6.677 3.369 1.00 0.00 N ATOM 23 CA LEU A 2 -12.556 -6.692 3.608 1.00 0.00 C ATOM 24 C LEU A 2 -11.992 -5.268 3.559 1.00 0.00 C ATOM 25 O LEU A 2 -11.782 -4.717 2.497 1.00 0.00 O ATOM 26 CB LEU A 2 -11.981 -7.539 2.474 1.00 0.00 C ATOM 27 CG LEU A 2 -12.135 -9.021 2.817 1.00 0.00 C ATOM 28 CD1 LEU A 2 -13.117 -9.674 1.840 1.00 0.00 C ATOM 29 CD2 LEU A 2 -10.775 -9.713 2.708 1.00 0.00 C ATOM 0 H LEU A 2 -14.312 -6.435 2.419 1.00 0.00 H new ATOM 0 HA LEU A 2 -12.302 -7.096 4.588 1.00 0.00 H new ATOM 0 HB2 LEU A 2 -12.497 -7.315 1.541 1.00 0.00 H new ATOM 0 HB3 LEU A 2 -10.929 -7.297 2.322 1.00 0.00 H new ATOM 0 HG LEU A 2 -12.515 -9.120 3.834 1.00 0.00 H new ATOM 0 HD11 LEU A 2 -13.226 -10.730 2.085 1.00 0.00 H new ATOM 0 HD12 LEU A 2 -14.087 -9.182 1.915 1.00 0.00 H new ATOM 0 HD13 LEU A 2 -12.738 -9.575 0.823 1.00 0.00 H new ATOM 0 HD21 LEU A 2 -10.884 -10.770 2.952 1.00 0.00 H new ATOM 0 HD22 LEU A 2 -10.396 -9.613 1.691 1.00 0.00 H new ATOM 0 HD23 LEU A 2 -10.074 -9.250 3.403 1.00 0.00 H new ATOM 41 N PRO A 3 -11.768 -4.723 4.724 1.00 0.00 N ATOM 42 CA PRO A 3 -11.224 -3.347 4.835 1.00 0.00 C ATOM 43 C PRO A 3 -9.720 -3.328 4.536 1.00 0.00 C ATOM 44 O PRO A 3 -9.093 -2.289 4.547 1.00 0.00 O ATOM 45 CB PRO A 3 -11.484 -2.977 6.291 1.00 0.00 C ATOM 46 CG PRO A 3 -11.553 -4.283 7.022 1.00 0.00 C ATOM 47 CD PRO A 3 -12.004 -5.332 6.036 1.00 0.00 C ATOM 0 HA PRO A 3 -11.681 -2.654 4.129 1.00 0.00 H new ATOM 0 HB2 PRO A 3 -10.687 -2.347 6.685 1.00 0.00 H new ATOM 0 HB3 PRO A 3 -12.414 -2.418 6.395 1.00 0.00 H new ATOM 0 HG2 PRO A 3 -10.579 -4.541 7.438 1.00 0.00 H new ATOM 0 HG3 PRO A 3 -12.249 -4.218 7.858 1.00 0.00 H new ATOM 0 HD2 PRO A 3 -11.438 -6.256 6.153 1.00 0.00 H new ATOM 0 HD3 PRO A 3 -13.056 -5.582 6.175 1.00 0.00 H new ATOM 55 N TRP A 4 -9.137 -4.465 4.272 1.00 0.00 N ATOM 56 CA TRP A 4 -7.677 -4.500 3.980 1.00 0.00 C ATOM 57 C TRP A 4 -7.427 -4.892 2.524 1.00 0.00 C ATOM 58 O TRP A 4 -6.459 -5.558 2.207 1.00 0.00 O ATOM 59 CB TRP A 4 -7.067 -5.537 4.920 1.00 0.00 C ATOM 60 CG TRP A 4 -8.077 -6.550 5.310 1.00 0.00 C ATOM 61 CD1 TRP A 4 -8.675 -7.399 4.465 1.00 0.00 C ATOM 62 CD2 TRP A 4 -8.622 -6.805 6.619 1.00 0.00 C ATOM 63 NE1 TRP A 4 -9.556 -8.195 5.183 1.00 0.00 N ATOM 64 CE2 TRP A 4 -9.555 -7.858 6.526 1.00 0.00 C ATOM 65 CE3 TRP A 4 -8.383 -6.225 7.865 1.00 0.00 C ATOM 66 CZ2 TRP A 4 -10.238 -8.326 7.651 1.00 0.00 C ATOM 67 CZ3 TRP A 4 -9.065 -6.686 9.004 1.00 0.00 C ATOM 68 CH2 TRP A 4 -9.991 -7.737 8.896 1.00 0.00 C ATOM 0 H TRP A 4 -9.608 -5.369 4.246 1.00 0.00 H new ATOM 0 HA TRP A 4 -7.228 -3.518 4.132 1.00 0.00 H new ATOM 0 HB2 TRP A 4 -6.224 -6.026 4.432 1.00 0.00 H new ATOM 0 HB3 TRP A 4 -6.677 -5.043 5.810 1.00 0.00 H new ATOM 0 HD1 TRP A 4 -8.501 -7.455 3.401 1.00 0.00 H new ATOM 0 HE1 TRP A 4 -10.130 -8.933 4.774 1.00 0.00 H new ATOM 0 HE3 TRP A 4 -7.671 -5.418 7.955 1.00 0.00 H new ATOM 0 HZ2 TRP A 4 -10.949 -9.134 7.561 1.00 0.00 H new ATOM 0 HZ3 TRP A 4 -8.877 -6.231 9.965 1.00 0.00 H new ATOM 0 HH2 TRP A 4 -10.512 -8.090 9.774 1.00 0.00 H new ATOM 79 N LYS A 5 -8.286 -4.484 1.630 1.00 0.00 N ATOM 80 CA LYS A 5 -8.095 -4.835 0.195 1.00 0.00 C ATOM 81 C LYS A 5 -7.391 -3.691 -0.538 1.00 0.00 C ATOM 82 O LYS A 5 -7.862 -3.205 -1.546 1.00 0.00 O ATOM 83 CB LYS A 5 -9.508 -5.033 -0.351 1.00 0.00 C ATOM 84 CG LYS A 5 -10.088 -6.342 0.189 1.00 0.00 C ATOM 85 CD LYS A 5 -9.689 -7.499 -0.731 1.00 0.00 C ATOM 86 CE LYS A 5 -10.788 -7.719 -1.775 1.00 0.00 C ATOM 87 NZ LYS A 5 -10.063 -8.060 -3.030 1.00 0.00 N ATOM 0 H LYS A 5 -9.113 -3.922 1.832 1.00 0.00 H new ATOM 0 HA LYS A 5 -7.478 -5.724 0.063 1.00 0.00 H new ATOM 0 HB2 LYS A 5 -10.142 -4.195 -0.060 1.00 0.00 H new ATOM 0 HB3 LYS A 5 -9.488 -5.054 -1.441 1.00 0.00 H new ATOM 0 HG2 LYS A 5 -9.722 -6.524 1.199 1.00 0.00 H new ATOM 0 HG3 LYS A 5 -11.174 -6.272 0.252 1.00 0.00 H new ATOM 0 HD2 LYS A 5 -8.743 -7.277 -1.224 1.00 0.00 H new ATOM 0 HD3 LYS A 5 -9.539 -8.407 -0.148 1.00 0.00 H new ATOM 0 HE2 LYS A 5 -11.461 -8.523 -1.477 1.00 0.00 H new ATOM 0 HE3 LYS A 5 -11.397 -6.824 -1.902 1.00 0.00 H new ATOM 0 HZ1 LYS A 5 -10.750 -8.225 -3.794 1.00 0.00 H new ATOM 0 HZ2 LYS A 5 -9.435 -7.274 -3.293 1.00 0.00 H new ATOM 0 HZ3 LYS A 5 -9.497 -8.920 -2.881 1.00 0.00 H new ATOM 101 N TRP A 6 -6.270 -3.250 -0.036 1.00 0.00 N ATOM 102 CA TRP A 6 -5.547 -2.133 -0.705 1.00 0.00 C ATOM 103 C TRP A 6 -4.089 -2.516 -0.972 1.00 0.00 C ATOM 104 O TRP A 6 -3.450 -3.141 -0.150 1.00 0.00 O ATOM 105 CB TRP A 6 -5.621 -0.973 0.282 1.00 0.00 C ATOM 106 CG TRP A 6 -6.285 0.184 -0.369 1.00 0.00 C ATOM 107 CD1 TRP A 6 -7.615 0.372 -0.467 1.00 0.00 C ATOM 108 CD2 TRP A 6 -5.661 1.311 -1.019 1.00 0.00 C ATOM 109 NE1 TRP A 6 -7.848 1.559 -1.143 1.00 0.00 N ATOM 110 CE2 TRP A 6 -6.665 2.175 -1.502 1.00 0.00 C ATOM 111 CE3 TRP A 6 -4.326 1.651 -1.223 1.00 0.00 C ATOM 112 CZ2 TRP A 6 -6.345 3.352 -2.178 1.00 0.00 C ATOM 113 CZ3 TRP A 6 -3.989 2.834 -1.900 1.00 0.00 C ATOM 114 CH2 TRP A 6 -5.000 3.685 -2.378 1.00 0.00 C ATOM 0 H TRP A 6 -5.825 -3.614 0.806 1.00 0.00 H new ATOM 0 HA TRP A 6 -5.985 -1.882 -1.671 1.00 0.00 H new ATOM 0 HB2 TRP A 6 -6.176 -1.272 1.171 1.00 0.00 H new ATOM 0 HB3 TRP A 6 -4.619 -0.695 0.610 1.00 0.00 H new ATOM 0 HD1 TRP A 6 -8.374 -0.293 -0.082 1.00 0.00 H new ATOM 0 HE1 TRP A 6 -8.775 1.931 -1.349 1.00 0.00 H new ATOM 0 HE3 TRP A 6 -3.545 1.001 -0.858 1.00 0.00 H new ATOM 0 HZ2 TRP A 6 -7.127 4.000 -2.544 1.00 0.00 H new ATOM 0 HZ3 TRP A 6 -2.951 3.090 -2.054 1.00 0.00 H new ATOM 0 HH2 TRP A 6 -4.740 4.595 -2.899 1.00 0.00 H new ATOM 125 N PRO A 7 -3.615 -2.119 -2.122 1.00 0.00 N ATOM 126 CA PRO A 7 -2.216 -2.413 -2.515 1.00 0.00 C ATOM 127 C PRO A 7 -1.247 -1.508 -1.747 1.00 0.00 C ATOM 128 O PRO A 7 -1.260 -0.302 -1.894 1.00 0.00 O ATOM 129 CB PRO A 7 -2.192 -2.098 -4.007 1.00 0.00 C ATOM 130 CG PRO A 7 -3.296 -1.111 -4.219 1.00 0.00 C ATOM 131 CD PRO A 7 -4.335 -1.365 -3.154 1.00 0.00 C ATOM 0 HA PRO A 7 -1.912 -3.437 -2.297 1.00 0.00 H new ATOM 0 HB2 PRO A 7 -1.230 -1.682 -4.306 1.00 0.00 H new ATOM 0 HB3 PRO A 7 -2.349 -2.998 -4.602 1.00 0.00 H new ATOM 0 HG2 PRO A 7 -2.918 -0.091 -4.152 1.00 0.00 H new ATOM 0 HG3 PRO A 7 -3.728 -1.226 -5.213 1.00 0.00 H new ATOM 0 HD2 PRO A 7 -4.736 -0.432 -2.758 1.00 0.00 H new ATOM 0 HD3 PRO A 7 -5.178 -1.933 -3.547 1.00 0.00 H new ATOM 139 N TRP A 8 -0.407 -2.082 -0.928 1.00 0.00 N ATOM 140 CA TRP A 8 0.559 -1.256 -0.152 1.00 0.00 C ATOM 141 C TRP A 8 1.524 -2.159 0.618 1.00 0.00 C ATOM 142 O TRP A 8 1.201 -2.672 1.671 1.00 0.00 O ATOM 143 CB TRP A 8 -0.293 -0.453 0.830 1.00 0.00 C ATOM 144 CG TRP A 8 -0.038 1.007 0.670 1.00 0.00 C ATOM 145 CD1 TRP A 8 0.187 1.668 -0.492 1.00 0.00 C ATOM 146 CD2 TRP A 8 0.009 1.998 1.717 1.00 0.00 C ATOM 147 NE1 TRP A 8 0.377 3.010 -0.207 1.00 0.00 N ATOM 148 CE2 TRP A 8 0.277 3.260 1.149 1.00 0.00 C ATOM 149 CE3 TRP A 8 -0.153 1.905 3.099 1.00 0.00 C ATOM 150 CZ2 TRP A 8 0.382 4.406 1.940 1.00 0.00 C ATOM 151 CZ3 TRP A 8 -0.050 3.048 3.905 1.00 0.00 C ATOM 152 CH2 TRP A 8 0.218 4.298 3.326 1.00 0.00 C ATOM 0 H TRP A 8 -0.349 -3.087 -0.764 1.00 0.00 H new ATOM 0 HA TRP A 8 1.155 -0.614 -0.800 1.00 0.00 H new ATOM 0 HB2 TRP A 8 -1.349 -0.664 0.662 1.00 0.00 H new ATOM 0 HB3 TRP A 8 -0.066 -0.758 1.852 1.00 0.00 H new ATOM 0 HD1 TRP A 8 0.214 1.223 -1.476 1.00 0.00 H new ATOM 0 HE1 TRP A 8 0.567 3.725 -0.910 1.00 0.00 H new ATOM 0 HE3 TRP A 8 -0.359 0.946 3.552 1.00 0.00 H new ATOM 0 HZ2 TRP A 8 0.587 5.365 1.488 1.00 0.00 H new ATOM 0 HZ3 TRP A 8 -0.177 2.966 4.974 1.00 0.00 H new ATOM 0 HH2 TRP A 8 0.298 5.176 3.949 1.00 0.00 H new ATOM 163 N TRP A 9 2.705 -2.356 0.107 1.00 0.00 N ATOM 164 CA TRP A 9 3.683 -3.224 0.816 1.00 0.00 C ATOM 165 C TRP A 9 4.910 -2.406 1.229 1.00 0.00 C ATOM 166 O TRP A 9 5.969 -2.541 0.647 1.00 0.00 O ATOM 167 CB TRP A 9 4.062 -4.294 -0.204 1.00 0.00 C ATOM 168 CG TRP A 9 4.668 -5.494 0.464 1.00 0.00 C ATOM 169 CD1 TRP A 9 4.997 -6.640 -0.174 1.00 0.00 C ATOM 170 CD2 TRP A 9 5.017 -5.695 1.866 1.00 0.00 C ATOM 171 NE1 TRP A 9 5.525 -7.529 0.743 1.00 0.00 N ATOM 172 CE2 TRP A 9 5.558 -6.995 2.013 1.00 0.00 C ATOM 173 CE3 TRP A 9 4.919 -4.889 3.008 1.00 0.00 C ATOM 174 CZ2 TRP A 9 5.985 -7.474 3.252 1.00 0.00 C ATOM 175 CZ3 TRP A 9 5.347 -5.367 4.258 1.00 0.00 C ATOM 176 CH2 TRP A 9 5.879 -6.657 4.379 1.00 0.00 C ATOM 0 H TRP A 9 3.035 -1.954 -0.770 1.00 0.00 H new ATOM 0 HA TRP A 9 3.274 -3.658 1.728 1.00 0.00 H new ATOM 0 HB2 TRP A 9 3.177 -4.595 -0.764 1.00 0.00 H new ATOM 0 HB3 TRP A 9 4.769 -3.880 -0.923 1.00 0.00 H new ATOM 0 HD1 TRP A 9 4.868 -6.830 -1.229 1.00 0.00 H new ATOM 0 HE1 TRP A 9 5.851 -8.467 0.508 1.00 0.00 H new ATOM 0 HE3 TRP A 9 4.511 -3.892 2.927 1.00 0.00 H new ATOM 0 HZ2 TRP A 9 6.395 -8.470 3.339 1.00 0.00 H new ATOM 0 HZ3 TRP A 9 5.265 -4.736 5.131 1.00 0.00 H new ATOM 0 HH2 TRP A 9 6.207 -7.019 5.342 1.00 0.00 H new ATOM 187 N PRO A 10 4.728 -1.586 2.230 1.00 0.00 N ATOM 188 CA PRO A 10 5.838 -0.741 2.727 1.00 0.00 C ATOM 189 C PRO A 10 6.834 -1.591 3.521 1.00 0.00 C ATOM 190 O PRO A 10 6.508 -2.660 4.001 1.00 0.00 O ATOM 191 CB PRO A 10 5.143 0.275 3.628 1.00 0.00 C ATOM 192 CG PRO A 10 3.873 -0.387 4.060 1.00 0.00 C ATOM 193 CD PRO A 10 3.487 -1.369 2.981 1.00 0.00 C ATOM 0 HA PRO A 10 6.410 -0.267 1.929 1.00 0.00 H new ATOM 0 HB2 PRO A 10 5.765 0.531 4.486 1.00 0.00 H new ATOM 0 HB3 PRO A 10 4.941 1.203 3.093 1.00 0.00 H new ATOM 0 HG2 PRO A 10 4.011 -0.898 5.013 1.00 0.00 H new ATOM 0 HG3 PRO A 10 3.085 0.352 4.206 1.00 0.00 H new ATOM 0 HD2 PRO A 10 3.111 -2.300 3.406 1.00 0.00 H new ATOM 0 HD3 PRO A 10 2.700 -0.969 2.342 1.00 0.00 H new ATOM 201 N TRP A 11 8.045 -1.128 3.660 1.00 0.00 N ATOM 202 CA TRP A 11 9.063 -1.921 4.420 1.00 0.00 C ATOM 203 C TRP A 11 8.660 -2.041 5.888 1.00 0.00 C ATOM 204 O TRP A 11 9.035 -2.974 6.570 1.00 0.00 O ATOM 205 CB TRP A 11 10.378 -1.154 4.288 1.00 0.00 C ATOM 206 CG TRP A 11 11.508 -2.117 4.231 1.00 0.00 C ATOM 207 CD1 TRP A 11 12.007 -2.840 5.260 1.00 0.00 C ATOM 208 CD2 TRP A 11 12.283 -2.462 3.075 1.00 0.00 C ATOM 209 NE1 TRP A 11 13.056 -3.613 4.786 1.00 0.00 N ATOM 210 CE2 TRP A 11 13.260 -3.412 3.434 1.00 0.00 C ATOM 211 CE3 TRP A 11 12.214 -2.031 1.755 1.00 0.00 C ATOM 212 CZ2 TRP A 11 14.156 -3.921 2.491 1.00 0.00 C ATOM 213 CZ3 TRP A 11 13.107 -2.533 0.796 1.00 0.00 C ATOM 214 CH2 TRP A 11 14.079 -3.479 1.163 1.00 0.00 C ATOM 0 H TRP A 11 8.377 -0.240 3.284 1.00 0.00 H new ATOM 0 HA TRP A 11 9.151 -2.935 4.029 1.00 0.00 H new ATOM 0 HB2 TRP A 11 10.364 -0.539 3.388 1.00 0.00 H new ATOM 0 HB3 TRP A 11 10.504 -0.478 5.134 1.00 0.00 H new ATOM 0 HD1 TRP A 11 11.649 -2.819 6.279 1.00 0.00 H new ATOM 0 HE1 TRP A 11 13.607 -4.249 5.362 1.00 0.00 H new ATOM 0 HE3 TRP A 11 11.468 -1.305 1.466 1.00 0.00 H new ATOM 0 HZ2 TRP A 11 14.900 -4.647 2.782 1.00 0.00 H new ATOM 0 HZ3 TRP A 11 13.047 -2.191 -0.227 1.00 0.00 H new ATOM 0 HH2 TRP A 11 14.765 -3.865 0.424 1.00 0.00 H new ATOM 225 N ARG A 12 7.905 -1.106 6.379 1.00 0.00 N ATOM 226 CA ARG A 12 7.481 -1.165 7.807 1.00 0.00 C ATOM 227 C ARG A 12 5.963 -1.082 7.927 1.00 0.00 C ATOM 228 O ARG A 12 5.228 -1.390 7.011 1.00 0.00 O ATOM 229 CB ARG A 12 8.121 0.049 8.469 1.00 0.00 C ATOM 230 CG ARG A 12 9.048 -0.412 9.595 1.00 0.00 C ATOM 231 CD ARG A 12 8.250 -1.231 10.615 1.00 0.00 C ATOM 232 NE ARG A 12 7.612 -0.222 11.507 1.00 0.00 N ATOM 233 CZ ARG A 12 8.242 0.199 12.572 1.00 0.00 C ATOM 234 NH1 ARG A 12 8.329 -0.567 13.623 1.00 0.00 N ATOM 235 NH2 ARG A 12 8.781 1.389 12.584 1.00 0.00 N ATOM 0 H ARG A 12 7.560 -0.301 5.856 1.00 0.00 H new ATOM 0 HA ARG A 12 7.787 -2.101 8.274 1.00 0.00 H new ATOM 0 HB2 ARG A 12 8.684 0.623 7.733 1.00 0.00 H new ATOM 0 HB3 ARG A 12 7.349 0.709 8.866 1.00 0.00 H new ATOM 0 HG2 ARG A 12 9.861 -1.013 9.187 1.00 0.00 H new ATOM 0 HG3 ARG A 12 9.502 0.451 10.082 1.00 0.00 H new ATOM 0 HD2 ARG A 12 7.501 -1.852 10.123 1.00 0.00 H new ATOM 0 HD3 ARG A 12 8.900 -1.901 11.178 1.00 0.00 H new ATOM 0 HE ARG A 12 6.684 0.140 11.287 1.00 0.00 H new ATOM 0 HH11 ARG A 12 7.905 -1.495 13.614 1.00 0.00 H new ATOM 0 HH12 ARG A 12 8.821 -0.239 14.454 1.00 0.00 H new ATOM 0 HH21 ARG A 12 8.710 1.989 11.762 1.00 0.00 H new ATOM 0 HH22 ARG A 12 9.273 1.718 13.415 1.00 0.00 H new ATOM 249 N ARG A 13 5.508 -0.668 9.072 1.00 0.00 N ATOM 250 CA ARG A 13 4.047 -0.546 9.326 1.00 0.00 C ATOM 251 C ARG A 13 3.314 -0.082 8.063 1.00 0.00 C ATOM 252 O ARG A 13 2.271 -0.603 7.723 1.00 0.00 O ATOM 253 CB ARG A 13 3.939 0.504 10.429 1.00 0.00 C ATOM 254 CG ARG A 13 2.878 0.070 11.442 1.00 0.00 C ATOM 255 CD ARG A 13 3.089 0.819 12.759 1.00 0.00 C ATOM 256 NE ARG A 13 2.260 2.051 12.639 1.00 0.00 N ATOM 257 CZ ARG A 13 2.656 3.160 13.200 1.00 0.00 C ATOM 258 NH1 ARG A 13 3.819 3.667 12.896 1.00 0.00 N ATOM 259 NH2 ARG A 13 1.887 3.766 14.066 1.00 0.00 N ATOM 0 H ARG A 13 6.099 -0.403 9.860 1.00 0.00 H new ATOM 0 HA ARG A 13 3.595 -1.496 9.611 1.00 0.00 H new ATOM 0 HB2 ARG A 13 4.902 0.627 10.925 1.00 0.00 H new ATOM 0 HB3 ARG A 13 3.675 1.471 10.001 1.00 0.00 H new ATOM 0 HG2 ARG A 13 1.882 0.275 11.051 1.00 0.00 H new ATOM 0 HG3 ARG A 13 2.939 -1.005 11.610 1.00 0.00 H new ATOM 0 HD2 ARG A 13 2.777 0.215 13.611 1.00 0.00 H new ATOM 0 HD3 ARG A 13 4.140 1.064 12.910 1.00 0.00 H new ATOM 0 HE ARG A 13 1.383 2.027 12.118 1.00 0.00 H new ATOM 0 HH11 ARG A 13 4.419 3.196 12.219 1.00 0.00 H new ATOM 0 HH12 ARG A 13 4.128 4.534 13.335 1.00 0.00 H new ATOM 0 HH21 ARG A 13 0.977 3.372 14.303 1.00 0.00 H new ATOM 0 HH22 ARG A 13 2.197 4.633 14.504 1.00 0.00 H new HETATM 273 N NH2 A 14 3.825 0.881 7.347 1.00 0.00 N TER 276 NH2 A 14