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+ -179:sc= -0.923 (180deg=-1) USER MOD Single : A 5 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD ----------------------------------------------------------------- ATOM 1 N ILE A 1 -19.420 0.452 0.942 1.00 0.00 N ATOM 2 CA ILE A 1 -18.989 0.767 -0.451 1.00 0.00 C ATOM 3 C ILE A 1 -17.492 1.059 -0.488 1.00 0.00 C ATOM 4 O ILE A 1 -16.979 1.640 -1.422 1.00 0.00 O ATOM 5 CB ILE A 1 -19.781 2.008 -0.838 1.00 0.00 C ATOM 6 CG1 ILE A 1 -21.279 1.704 -0.768 1.00 0.00 C ATOM 7 CG2 ILE A 1 -19.410 2.430 -2.261 1.00 0.00 C ATOM 8 CD1 ILE A 1 -21.898 2.464 0.406 1.00 0.00 C ATOM 0 H1 ILE A 1 -20.438 0.238 0.951 1.00 0.00 H new ATOM 0 H2 ILE A 1 -18.890 -0.372 1.291 1.00 0.00 H new ATOM 0 H3 ILE A 1 -19.233 1.270 1.557 1.00 0.00 H new ATOM 0 HA ILE A 1 -19.168 -0.063 -1.135 1.00 0.00 H new ATOM 0 HB ILE A 1 -19.544 2.817 -0.147 1.00 0.00 H new ATOM 0 HG12 ILE A 1 -21.764 1.995 -1.700 1.00 0.00 H new ATOM 0 HG13 ILE A 1 -21.438 0.633 -0.646 1.00 0.00 H new ATOM 0 HG21 ILE A 1 -19.978 3.319 -2.537 1.00 0.00 H new ATOM 0 HG22 ILE A 1 -18.344 2.651 -2.309 1.00 0.00 H new ATOM 0 HG23 ILE A 1 -19.644 1.621 -2.953 1.00 0.00 H new ATOM 0 HD11 ILE A 1 -22.965 2.248 0.457 1.00 0.00 H new ATOM 0 HD12 ILE A 1 -21.420 2.151 1.334 1.00 0.00 H new ATOM 0 HD13 ILE A 1 -21.751 3.535 0.265 1.00 0.00 H new ATOM 22 N LEU A 2 -16.792 0.657 0.529 1.00 0.00 N ATOM 23 CA LEU A 2 -15.322 0.904 0.573 1.00 0.00 C ATOM 24 C LEU A 2 -14.588 -0.359 1.031 1.00 0.00 C ATOM 25 O LEU A 2 -14.691 -0.756 2.175 1.00 0.00 O ATOM 26 CB LEU A 2 -15.141 2.029 1.591 1.00 0.00 C ATOM 27 CG LEU A 2 -16.146 3.144 1.305 1.00 0.00 C ATOM 28 CD1 LEU A 2 -15.971 4.264 2.332 1.00 0.00 C ATOM 29 CD2 LEU A 2 -15.903 3.701 -0.101 1.00 0.00 C ATOM 0 H LEU A 2 -17.172 0.165 1.338 1.00 0.00 H new ATOM 0 HA LEU A 2 -14.917 1.169 -0.404 1.00 0.00 H new ATOM 0 HB2 LEU A 2 -15.285 1.646 2.601 1.00 0.00 H new ATOM 0 HB3 LEU A 2 -14.125 2.420 1.540 1.00 0.00 H new ATOM 0 HG LEU A 2 -17.159 2.746 1.370 1.00 0.00 H new ATOM 0 HD11 LEU A 2 -16.688 5.060 2.128 1.00 0.00 H new ATOM 0 HD12 LEU A 2 -16.142 3.869 3.334 1.00 0.00 H new ATOM 0 HD13 LEU A 2 -14.958 4.662 2.267 1.00 0.00 H new ATOM 0 HD21 LEU A 2 -16.619 4.496 -0.306 1.00 0.00 H new ATOM 0 HD22 LEU A 2 -14.890 4.099 -0.165 1.00 0.00 H new ATOM 0 HD23 LEU A 2 -16.026 2.904 -0.834 1.00 0.00 H new ATOM 41 N PRO A 3 -13.867 -0.949 0.116 1.00 0.00 N ATOM 42 CA PRO A 3 -13.106 -2.182 0.426 1.00 0.00 C ATOM 43 C PRO A 3 -11.900 -1.862 1.313 1.00 0.00 C ATOM 44 O PRO A 3 -11.648 -0.721 1.649 1.00 0.00 O ATOM 45 CB PRO A 3 -12.651 -2.676 -0.945 1.00 0.00 C ATOM 46 CG PRO A 3 -12.631 -1.455 -1.807 1.00 0.00 C ATOM 47 CD PRO A 3 -13.696 -0.529 -1.278 1.00 0.00 C ATOM 0 HA PRO A 3 -13.695 -2.921 0.969 1.00 0.00 H new ATOM 0 HB2 PRO A 3 -11.665 -3.138 -0.891 1.00 0.00 H new ATOM 0 HB3 PRO A 3 -13.334 -3.428 -1.341 1.00 0.00 H new ATOM 0 HG2 PRO A 3 -11.652 -0.976 -1.776 1.00 0.00 H new ATOM 0 HG3 PRO A 3 -12.826 -1.714 -2.848 1.00 0.00 H new ATOM 0 HD2 PRO A 3 -13.388 0.514 -1.346 1.00 0.00 H new ATOM 0 HD3 PRO A 3 -14.624 -0.625 -1.841 1.00 0.00 H new ATOM 55 N TRP A 4 -11.153 -2.861 1.689 1.00 0.00 N ATOM 56 CA TRP A 4 -9.958 -2.623 2.554 1.00 0.00 C ATOM 57 C TRP A 4 -8.872 -3.634 2.210 1.00 0.00 C ATOM 58 O TRP A 4 -8.266 -4.237 3.072 1.00 0.00 O ATOM 59 CB TRP A 4 -10.412 -2.824 4.007 1.00 0.00 C ATOM 60 CG TRP A 4 -11.905 -2.783 4.116 1.00 0.00 C ATOM 61 CD1 TRP A 4 -12.737 -3.778 3.734 1.00 0.00 C ATOM 62 CD2 TRP A 4 -12.750 -1.714 4.627 1.00 0.00 C ATOM 63 NE1 TRP A 4 -14.041 -3.389 3.980 1.00 0.00 N ATOM 64 CE2 TRP A 4 -14.102 -2.123 4.532 1.00 0.00 C ATOM 65 CE3 TRP A 4 -12.477 -0.442 5.161 1.00 0.00 C ATOM 66 CZ2 TRP A 4 -15.146 -1.299 4.951 1.00 0.00 C ATOM 67 CZ3 TRP A 4 -13.526 0.391 5.584 1.00 0.00 C ATOM 68 CH2 TRP A 4 -14.858 -0.037 5.480 1.00 0.00 C ATOM 0 H TRP A 4 -11.316 -3.835 1.436 1.00 0.00 H new ATOM 0 HA TRP A 4 -9.556 -1.621 2.405 1.00 0.00 H new ATOM 0 HB2 TRP A 4 -10.043 -3.781 4.377 1.00 0.00 H new ATOM 0 HB3 TRP A 4 -9.977 -2.049 4.638 1.00 0.00 H new ATOM 0 HD1 TRP A 4 -12.433 -4.722 3.307 1.00 0.00 H new ATOM 0 HE1 TRP A 4 -14.858 -3.966 3.779 1.00 0.00 H new ATOM 0 HE3 TRP A 4 -11.455 -0.104 5.246 1.00 0.00 H new ATOM 0 HZ2 TRP A 4 -16.170 -1.633 4.868 1.00 0.00 H new ATOM 0 HZ3 TRP A 4 -13.306 1.367 5.992 1.00 0.00 H new ATOM 0 HH2 TRP A 4 -15.660 0.607 5.808 1.00 0.00 H new ATOM 79 N LYS A 5 -8.637 -3.828 0.952 1.00 0.00 N ATOM 80 CA LYS A 5 -7.605 -4.808 0.523 1.00 0.00 C ATOM 81 C LYS A 5 -6.567 -4.131 -0.366 1.00 0.00 C ATOM 82 O LYS A 5 -5.786 -4.772 -1.040 1.00 0.00 O ATOM 83 CB LYS A 5 -8.381 -5.849 -0.267 1.00 0.00 C ATOM 84 CG LYS A 5 -8.752 -7.017 0.649 1.00 0.00 C ATOM 85 CD LYS A 5 -10.158 -7.514 0.301 1.00 0.00 C ATOM 86 CE LYS A 5 -10.075 -8.936 -0.259 1.00 0.00 C ATOM 87 NZ LYS A 5 -11.032 -9.728 0.564 1.00 0.00 N ATOM 0 H LYS A 5 -9.118 -3.347 0.192 1.00 0.00 H new ATOM 0 HA LYS A 5 -7.063 -5.240 1.364 1.00 0.00 H new ATOM 0 HB2 LYS A 5 -9.282 -5.403 -0.688 1.00 0.00 H new ATOM 0 HB3 LYS A 5 -7.781 -6.206 -1.104 1.00 0.00 H new ATOM 0 HG2 LYS A 5 -8.030 -7.826 0.535 1.00 0.00 H new ATOM 0 HG3 LYS A 5 -8.714 -6.701 1.692 1.00 0.00 H new ATOM 0 HD2 LYS A 5 -10.791 -7.498 1.189 1.00 0.00 H new ATOM 0 HD3 LYS A 5 -10.619 -6.850 -0.431 1.00 0.00 H new ATOM 0 HE2 LYS A 5 -10.346 -8.962 -1.314 1.00 0.00 H new ATOM 0 HE3 LYS A 5 -9.063 -9.333 -0.180 1.00 0.00 H new ATOM 0 HZ1 LYS A 5 -11.033 -10.716 0.241 1.00 0.00 H new ATOM 0 HZ2 LYS A 5 -10.745 -9.691 1.563 1.00 0.00 H new ATOM 0 HZ3 LYS A 5 -11.988 -9.330 0.464 1.00 0.00 H new ATOM 101 N TRP A 6 -6.562 -2.840 -0.361 1.00 0.00 N ATOM 102 CA TRP A 6 -5.600 -2.074 -1.179 1.00 0.00 C ATOM 103 C TRP A 6 -4.176 -2.629 -0.990 1.00 0.00 C ATOM 104 O TRP A 6 -3.863 -3.193 0.040 1.00 0.00 O ATOM 105 CB TRP A 6 -5.738 -0.666 -0.632 1.00 0.00 C ATOM 106 CG TRP A 6 -4.686 0.178 -1.205 1.00 0.00 C ATOM 107 CD1 TRP A 6 -3.434 0.211 -0.772 1.00 0.00 C ATOM 108 CD2 TRP A 6 -4.782 1.094 -2.305 1.00 0.00 C ATOM 109 NE1 TRP A 6 -2.720 1.118 -1.542 1.00 0.00 N ATOM 110 CE2 TRP A 6 -3.525 1.694 -2.509 1.00 0.00 C ATOM 111 CE3 TRP A 6 -5.845 1.451 -3.126 1.00 0.00 C ATOM 112 CZ2 TRP A 6 -3.328 2.637 -3.518 1.00 0.00 C ATOM 113 CZ3 TRP A 6 -5.663 2.398 -4.148 1.00 0.00 C ATOM 114 CH2 TRP A 6 -4.404 2.991 -4.344 1.00 0.00 C ATOM 0 H TRP A 6 -7.201 -2.267 0.190 1.00 0.00 H new ATOM 0 HA TRP A 6 -5.789 -2.125 -2.251 1.00 0.00 H new ATOM 0 HB2 TRP A 6 -6.720 -0.262 -0.878 1.00 0.00 H new ATOM 0 HB3 TRP A 6 -5.661 -0.676 0.455 1.00 0.00 H new ATOM 0 HD1 TRP A 6 -3.035 -0.372 0.045 1.00 0.00 H new ATOM 0 HE1 TRP A 6 -1.731 1.332 -1.412 1.00 0.00 H new ATOM 0 HE3 TRP A 6 -6.815 0.999 -2.978 1.00 0.00 H new ATOM 0 HZ2 TRP A 6 -2.358 3.089 -3.661 1.00 0.00 H new ATOM 0 HZ3 TRP A 6 -6.492 2.671 -4.784 1.00 0.00 H new ATOM 0 HH2 TRP A 6 -4.266 3.719 -5.130 1.00 0.00 H new ATOM 125 N PRO A 7 -3.373 -2.484 -2.015 1.00 0.00 N ATOM 126 CA PRO A 7 -1.984 -3.010 -1.993 1.00 0.00 C ATOM 127 C PRO A 7 -0.967 -2.026 -1.380 1.00 0.00 C ATOM 128 O PRO A 7 -1.325 -1.102 -0.696 1.00 0.00 O ATOM 129 CB PRO A 7 -1.706 -3.265 -3.476 1.00 0.00 C ATOM 130 CG PRO A 7 -2.629 -2.349 -4.238 1.00 0.00 C ATOM 131 CD PRO A 7 -3.681 -1.827 -3.284 1.00 0.00 C ATOM 0 HA PRO A 7 -1.883 -3.895 -1.364 1.00 0.00 H new ATOM 0 HB2 PRO A 7 -0.664 -3.058 -3.718 1.00 0.00 H new ATOM 0 HB3 PRO A 7 -1.892 -4.308 -3.734 1.00 0.00 H new ATOM 0 HG2 PRO A 7 -2.068 -1.522 -4.673 1.00 0.00 H new ATOM 0 HG3 PRO A 7 -3.098 -2.885 -5.063 1.00 0.00 H new ATOM 0 HD2 PRO A 7 -3.632 -0.742 -3.193 1.00 0.00 H new ATOM 0 HD3 PRO A 7 -4.686 -2.073 -3.626 1.00 0.00 H new ATOM 139 N TRP A 8 0.309 -2.239 -1.626 1.00 0.00 N ATOM 140 CA TRP A 8 1.371 -1.348 -1.070 1.00 0.00 C ATOM 141 C TRP A 8 0.934 -0.722 0.259 1.00 0.00 C ATOM 142 O TRP A 8 0.517 0.418 0.316 1.00 0.00 O ATOM 143 CB TRP A 8 1.590 -0.283 -2.140 1.00 0.00 C ATOM 144 CG TRP A 8 1.368 -0.880 -3.495 1.00 0.00 C ATOM 145 CD1 TRP A 8 0.227 -0.779 -4.196 1.00 0.00 C ATOM 146 CD2 TRP A 8 2.274 -1.686 -4.298 1.00 0.00 C ATOM 147 NE1 TRP A 8 0.375 -1.448 -5.399 1.00 0.00 N ATOM 148 CE2 TRP A 8 1.624 -2.026 -5.506 1.00 0.00 C ATOM 149 CE3 TRP A 8 3.586 -2.139 -4.099 1.00 0.00 C ATOM 150 CZ2 TRP A 8 2.257 -2.793 -6.486 1.00 0.00 C ATOM 151 CZ3 TRP A 8 4.228 -2.913 -5.080 1.00 0.00 C ATOM 152 CH2 TRP A 8 3.565 -3.236 -6.273 1.00 0.00 C ATOM 0 H TRP A 8 0.659 -3.007 -2.199 1.00 0.00 H new ATOM 0 HA TRP A 8 2.287 -1.896 -0.848 1.00 0.00 H new ATOM 0 HB2 TRP A 8 0.906 0.551 -1.983 1.00 0.00 H new ATOM 0 HB3 TRP A 8 2.602 0.116 -2.069 1.00 0.00 H new ATOM 0 HD1 TRP A 8 -0.663 -0.259 -3.873 1.00 0.00 H new ATOM 0 HE1 TRP A 8 -0.348 -1.506 -6.116 1.00 0.00 H new ATOM 0 HE3 TRP A 8 4.106 -1.891 -3.186 1.00 0.00 H new ATOM 0 HZ2 TRP A 8 1.740 -3.042 -7.401 1.00 0.00 H new ATOM 0 HZ3 TRP A 8 5.237 -3.261 -4.915 1.00 0.00 H new ATOM 0 HH2 TRP A 8 4.065 -3.827 -7.026 1.00 0.00 H new ATOM 163 N TRP A 9 1.018 -1.471 1.324 1.00 0.00 N ATOM 164 CA TRP A 9 0.602 -0.943 2.654 1.00 0.00 C ATOM 165 C TRP A 9 1.159 0.467 2.883 1.00 0.00 C ATOM 166 O TRP A 9 2.205 0.816 2.371 1.00 0.00 O ATOM 167 CB TRP A 9 1.174 -1.939 3.661 1.00 0.00 C ATOM 168 CG TRP A 9 1.267 -1.298 5.004 1.00 0.00 C ATOM 169 CD1 TRP A 9 2.249 -0.462 5.388 1.00 0.00 C ATOM 170 CD2 TRP A 9 0.361 -1.417 6.131 1.00 0.00 C ATOM 171 NE1 TRP A 9 2.016 -0.068 6.693 1.00 0.00 N ATOM 172 CE2 TRP A 9 0.860 -0.631 7.195 1.00 0.00 C ATOM 173 CE3 TRP A 9 -0.829 -2.128 6.329 1.00 0.00 C ATOM 174 CZ2 TRP A 9 0.195 -0.557 8.420 1.00 0.00 C ATOM 175 CZ3 TRP A 9 -1.505 -2.055 7.558 1.00 0.00 C ATOM 176 CH2 TRP A 9 -0.993 -1.272 8.604 1.00 0.00 C ATOM 0 H TRP A 9 1.359 -2.432 1.330 1.00 0.00 H new ATOM 0 HA TRP A 9 -0.480 -0.851 2.743 1.00 0.00 H new ATOM 0 HB2 TRP A 9 0.539 -2.824 3.713 1.00 0.00 H new ATOM 0 HB3 TRP A 9 2.160 -2.272 3.337 1.00 0.00 H new ATOM 0 HD1 TRP A 9 3.083 -0.150 4.777 1.00 0.00 H new ATOM 0 HE1 TRP A 9 2.623 0.561 7.219 1.00 0.00 H new ATOM 0 HE3 TRP A 9 -1.230 -2.736 5.532 1.00 0.00 H new ATOM 0 HZ2 TRP A 9 0.595 0.048 9.220 1.00 0.00 H new ATOM 0 HZ3 TRP A 9 -2.424 -2.605 7.699 1.00 0.00 H new ATOM 0 HH2 TRP A 9 -1.515 -1.222 9.548 1.00 0.00 H new ATOM 187 N PRO A 10 0.427 1.236 3.652 1.00 0.00 N ATOM 188 CA PRO A 10 0.822 2.620 3.969 1.00 0.00 C ATOM 189 C PRO A 10 1.587 2.665 5.296 1.00 0.00 C ATOM 190 O PRO A 10 1.042 2.387 6.345 1.00 0.00 O ATOM 191 CB PRO A 10 -0.526 3.324 4.098 1.00 0.00 C ATOM 192 CG PRO A 10 -1.519 2.248 4.460 1.00 0.00 C ATOM 193 CD PRO A 10 -0.840 0.905 4.303 1.00 0.00 C ATOM 0 HA PRO A 10 1.480 3.072 3.227 1.00 0.00 H new ATOM 0 HB2 PRO A 10 -0.491 4.098 4.865 1.00 0.00 H new ATOM 0 HB3 PRO A 10 -0.803 3.813 3.164 1.00 0.00 H new ATOM 0 HG2 PRO A 10 -1.866 2.381 5.485 1.00 0.00 H new ATOM 0 HG3 PRO A 10 -2.396 2.308 3.816 1.00 0.00 H new ATOM 0 HD2 PRO A 10 -0.681 0.421 5.266 1.00 0.00 H new ATOM 0 HD3 PRO A 10 -1.436 0.222 3.697 1.00 0.00 H new ATOM 201 N TRP A 11 2.845 3.011 5.261 1.00 0.00 N ATOM 202 CA TRP A 11 3.639 3.073 6.510 1.00 0.00 C ATOM 203 C TRP A 11 3.902 4.532 6.891 1.00 0.00 C ATOM 204 O TRP A 11 3.307 5.442 6.349 1.00 0.00 O ATOM 205 CB TRP A 11 4.928 2.343 6.158 1.00 0.00 C ATOM 206 CG TRP A 11 5.530 2.985 4.970 1.00 0.00 C ATOM 207 CD1 TRP A 11 6.189 4.155 4.969 1.00 0.00 C ATOM 208 CD2 TRP A 11 5.520 2.510 3.612 1.00 0.00 C ATOM 209 NE1 TRP A 11 6.606 4.428 3.676 1.00 0.00 N ATOM 210 CE2 TRP A 11 6.211 3.433 2.798 1.00 0.00 C ATOM 211 CE3 TRP A 11 4.981 1.367 3.025 1.00 0.00 C ATOM 212 CZ2 TRP A 11 6.361 3.221 1.428 1.00 0.00 C ATOM 213 CZ3 TRP A 11 5.124 1.143 1.646 1.00 0.00 C ATOM 214 CH2 TRP A 11 5.815 2.069 0.847 1.00 0.00 C ATOM 0 H TRP A 11 3.356 3.254 4.412 1.00 0.00 H new ATOM 0 HA TRP A 11 3.138 2.624 7.368 1.00 0.00 H new ATOM 0 HB2 TRP A 11 5.622 2.377 6.998 1.00 0.00 H new ATOM 0 HB3 TRP A 11 4.723 1.292 5.956 1.00 0.00 H new ATOM 0 HD1 TRP A 11 6.365 4.779 5.832 1.00 0.00 H new ATOM 0 HE1 TRP A 11 7.136 5.256 3.406 1.00 0.00 H new ATOM 0 HE3 TRP A 11 4.451 0.650 3.634 1.00 0.00 H new ATOM 0 HZ2 TRP A 11 6.893 3.938 0.820 1.00 0.00 H new ATOM 0 HZ3 TRP A 11 4.701 0.256 1.198 1.00 0.00 H new ATOM 0 HH2 TRP A 11 5.925 1.893 -0.213 1.00 0.00 H new ATOM 225 N ARG A 12 4.789 4.758 7.813 1.00 0.00 N ATOM 226 CA ARG A 12 5.103 6.146 8.238 1.00 0.00 C ATOM 227 C ARG A 12 3.822 6.980 8.340 1.00 0.00 C ATOM 228 O ARG A 12 3.558 7.834 7.518 1.00 0.00 O ATOM 229 CB ARG A 12 6.011 6.678 7.138 1.00 0.00 C ATOM 230 CG ARG A 12 6.332 8.142 7.416 1.00 0.00 C ATOM 231 CD ARG A 12 6.355 8.924 6.102 1.00 0.00 C ATOM 232 NE ARG A 12 7.405 9.963 6.292 1.00 0.00 N ATOM 233 CZ ARG A 12 7.105 11.225 6.148 1.00 0.00 C ATOM 234 NH1 ARG A 12 6.191 11.769 6.906 1.00 0.00 N ATOM 235 NH2 ARG A 12 7.718 11.944 5.248 1.00 0.00 N ATOM 0 H ARG A 12 5.317 4.031 8.297 1.00 0.00 H new ATOM 0 HA ARG A 12 5.573 6.188 9.220 1.00 0.00 H new ATOM 0 HB2 ARG A 12 6.930 6.094 7.095 1.00 0.00 H new ATOM 0 HB3 ARG A 12 5.524 6.578 6.168 1.00 0.00 H new ATOM 0 HG2 ARG A 12 5.587 8.566 8.089 1.00 0.00 H new ATOM 0 HG3 ARG A 12 7.297 8.224 7.916 1.00 0.00 H new ATOM 0 HD2 ARG A 12 6.591 8.274 5.260 1.00 0.00 H new ATOM 0 HD3 ARG A 12 5.385 9.376 5.894 1.00 0.00 H new ATOM 0 HE ARG A 12 8.357 9.689 6.534 1.00 0.00 H new ATOM 0 HH11 ARG A 12 5.712 11.208 7.610 1.00 0.00 H new ATOM 0 HH12 ARG A 12 5.956 12.755 6.794 1.00 0.00 H new ATOM 0 HH21 ARG A 12 8.432 11.520 4.656 1.00 0.00 H new ATOM 0 HH22 ARG A 12 7.483 12.930 5.136 1.00 0.00 H new ATOM 249 N ARG A 13 3.026 6.736 9.347 1.00 0.00 N ATOM 250 CA ARG A 13 1.764 7.514 9.506 1.00 0.00 C ATOM 251 C ARG A 13 2.072 9.011 9.601 1.00 0.00 C ATOM 252 O ARG A 13 3.204 9.426 9.456 1.00 0.00 O ATOM 253 CB ARG A 13 1.148 7.008 10.811 1.00 0.00 C ATOM 254 CG ARG A 13 -0.289 6.548 10.555 1.00 0.00 C ATOM 255 CD ARG A 13 -1.083 6.599 11.863 1.00 0.00 C ATOM 256 NE ARG A 13 -1.964 5.399 11.826 1.00 0.00 N ATOM 257 CZ ARG A 13 -3.115 5.415 12.440 1.00 0.00 C ATOM 258 NH1 ARG A 13 -3.166 5.608 13.730 1.00 0.00 N ATOM 259 NH2 ARG A 13 -4.217 5.237 11.764 1.00 0.00 N ATOM 0 H ARG A 13 3.195 6.032 10.065 1.00 0.00 H new ATOM 0 HA ARG A 13 1.089 7.383 8.660 1.00 0.00 H new ATOM 0 HB2 ARG A 13 1.739 6.183 11.208 1.00 0.00 H new ATOM 0 HB3 ARG A 13 1.159 7.799 11.561 1.00 0.00 H new ATOM 0 HG2 ARG A 13 -0.759 7.187 9.807 1.00 0.00 H new ATOM 0 HG3 ARG A 13 -0.292 5.534 10.155 1.00 0.00 H new ATOM 0 HD2 ARG A 13 -0.420 6.576 12.728 1.00 0.00 H new ATOM 0 HD3 ARG A 13 -1.668 7.516 11.934 1.00 0.00 H new ATOM 0 HE ARG A 13 -1.667 4.564 11.320 1.00 0.00 H new ATOM 0 HH11 ARG A 13 -2.305 5.747 14.259 1.00 0.00 H new ATOM 0 HH12 ARG A 13 -4.067 5.620 14.209 1.00 0.00 H new ATOM 0 HH21 ARG A 13 -4.178 5.085 10.756 1.00 0.00 H new ATOM 0 HH22 ARG A 13 -5.117 5.249 12.244 1.00 0.00 H new HETATM 273 N NH2 A 14 1.100 9.848 9.843 1.00 0.00 N TER 276 NH2 A 14