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+ -157:sc= -0.291 (180deg=-1.65!) USER MOD Single : A 5 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD ----------------------------------------------------------------- ATOM 1 N ILE A 1 -11.346 0.445 -6.641 1.00 0.00 N ATOM 2 CA ILE A 1 -12.169 -0.573 -5.925 1.00 0.00 C ATOM 3 C ILE A 1 -12.381 -0.155 -4.468 1.00 0.00 C ATOM 4 O ILE A 1 -11.748 0.758 -3.977 1.00 0.00 O ATOM 5 CB ILE A 1 -11.357 -1.866 -5.998 1.00 0.00 C ATOM 6 CG1 ILE A 1 -10.813 -2.048 -7.418 1.00 0.00 C ATOM 7 CG2 ILE A 1 -12.253 -3.054 -5.643 1.00 0.00 C ATOM 8 CD1 ILE A 1 -10.063 -3.377 -7.512 1.00 0.00 C ATOM 0 H1 ILE A 1 -11.524 0.379 -7.663 1.00 0.00 H new ATOM 0 H2 ILE A 1 -11.601 1.396 -6.306 1.00 0.00 H new ATOM 0 H3 ILE A 1 -10.338 0.271 -6.453 1.00 0.00 H new ATOM 0 HA ILE A 1 -13.158 -0.688 -6.369 1.00 0.00 H new ATOM 0 HB ILE A 1 -10.527 -1.812 -5.293 1.00 0.00 H new ATOM 0 HG12 ILE A 1 -11.632 -2.029 -8.137 1.00 0.00 H new ATOM 0 HG13 ILE A 1 -10.146 -1.224 -7.672 1.00 0.00 H new ATOM 0 HG21 ILE A 1 -11.673 -3.975 -5.695 1.00 0.00 H new ATOM 0 HG22 ILE A 1 -12.642 -2.927 -4.633 1.00 0.00 H new ATOM 0 HG23 ILE A 1 -13.083 -3.107 -6.348 1.00 0.00 H new ATOM 0 HD11 ILE A 1 -9.676 -3.506 -8.523 1.00 0.00 H new ATOM 0 HD12 ILE A 1 -9.235 -3.378 -6.804 1.00 0.00 H new ATOM 0 HD13 ILE A 1 -10.743 -4.196 -7.277 1.00 0.00 H new ATOM 22 N LEU A 2 -13.267 -0.815 -3.774 1.00 0.00 N ATOM 23 CA LEU A 2 -13.518 -0.452 -2.347 1.00 0.00 C ATOM 24 C LEU A 2 -12.190 -0.218 -1.620 1.00 0.00 C ATOM 25 O LEU A 2 -11.233 -0.940 -1.823 1.00 0.00 O ATOM 26 CB LEU A 2 -14.250 -1.657 -1.755 1.00 0.00 C ATOM 27 CG LEU A 2 -15.760 -1.428 -1.845 1.00 0.00 C ATOM 28 CD1 LEU A 2 -16.494 -2.695 -1.398 1.00 0.00 C ATOM 29 CD2 LEU A 2 -16.155 -0.264 -0.935 1.00 0.00 C ATOM 0 H LEU A 2 -13.828 -1.589 -4.131 1.00 0.00 H new ATOM 0 HA LEU A 2 -14.099 0.465 -2.249 1.00 0.00 H new ATOM 0 HB2 LEU A 2 -13.976 -2.564 -2.294 1.00 0.00 H new ATOM 0 HB3 LEU A 2 -13.954 -1.802 -0.716 1.00 0.00 H new ATOM 0 HG LEU A 2 -16.031 -1.193 -2.874 1.00 0.00 H new ATOM 0 HD11 LEU A 2 -17.570 -2.534 -1.461 1.00 0.00 H new ATOM 0 HD12 LEU A 2 -16.213 -3.526 -2.045 1.00 0.00 H new ATOM 0 HD13 LEU A 2 -16.222 -2.929 -0.369 1.00 0.00 H new ATOM 0 HD21 LEU A 2 -17.231 -0.101 -0.999 1.00 0.00 H new ATOM 0 HD22 LEU A 2 -15.884 -0.499 0.094 1.00 0.00 H new ATOM 0 HD23 LEU A 2 -15.632 0.639 -1.251 1.00 0.00 H new ATOM 41 N PRO A 3 -12.181 0.793 -0.796 1.00 0.00 N ATOM 42 CA PRO A 3 -10.960 1.140 -0.027 1.00 0.00 C ATOM 43 C PRO A 3 -10.736 0.136 1.108 1.00 0.00 C ATOM 44 O PRO A 3 -10.681 0.498 2.267 1.00 0.00 O ATOM 45 CB PRO A 3 -11.272 2.525 0.532 1.00 0.00 C ATOM 46 CG PRO A 3 -12.763 2.600 0.584 1.00 0.00 C ATOM 47 CD PRO A 3 -13.295 1.702 -0.505 1.00 0.00 C ATOM 0 HA PRO A 3 -10.054 1.121 -0.633 1.00 0.00 H new ATOM 0 HB2 PRO A 3 -10.836 2.657 1.522 1.00 0.00 H new ATOM 0 HB3 PRO A 3 -10.860 3.308 -0.104 1.00 0.00 H new ATOM 0 HG2 PRO A 3 -13.130 2.280 1.559 1.00 0.00 H new ATOM 0 HG3 PRO A 3 -13.102 3.625 0.436 1.00 0.00 H new ATOM 0 HD2 PRO A 3 -14.179 1.156 -0.175 1.00 0.00 H new ATOM 0 HD3 PRO A 3 -13.584 2.273 -1.387 1.00 0.00 H new ATOM 55 N TRP A 4 -10.607 -1.121 0.786 1.00 0.00 N ATOM 56 CA TRP A 4 -10.385 -2.143 1.847 1.00 0.00 C ATOM 57 C TRP A 4 -9.149 -2.976 1.525 1.00 0.00 C ATOM 58 O TRP A 4 -8.110 -2.842 2.141 1.00 0.00 O ATOM 59 CB TRP A 4 -11.644 -3.006 1.827 1.00 0.00 C ATOM 60 CG TRP A 4 -12.390 -2.825 3.106 1.00 0.00 C ATOM 61 CD1 TRP A 4 -12.083 -3.404 4.289 1.00 0.00 C ATOM 62 CD2 TRP A 4 -13.564 -2.014 3.340 1.00 0.00 C ATOM 63 NE1 TRP A 4 -13.006 -2.991 5.238 1.00 0.00 N ATOM 64 CE2 TRP A 4 -13.941 -2.131 4.696 1.00 0.00 C ATOM 65 CE3 TRP A 4 -14.325 -1.196 2.502 1.00 0.00 C ATOM 66 CZ2 TRP A 4 -15.049 -1.450 5.204 1.00 0.00 C ATOM 67 CZ3 TRP A 4 -15.441 -0.506 3.003 1.00 0.00 C ATOM 68 CH2 TRP A 4 -15.803 -0.633 4.353 1.00 0.00 C ATOM 0 H TRP A 4 -10.646 -1.485 -0.166 1.00 0.00 H new ATOM 0 HA TRP A 4 -10.214 -1.698 2.827 1.00 0.00 H new ATOM 0 HB2 TRP A 4 -12.275 -2.728 0.983 1.00 0.00 H new ATOM 0 HB3 TRP A 4 -11.377 -4.054 1.694 1.00 0.00 H new ATOM 0 HD1 TRP A 4 -11.256 -4.076 4.465 1.00 0.00 H new ATOM 0 HE1 TRP A 4 -12.996 -3.286 6.214 1.00 0.00 H new ATOM 0 HE3 TRP A 4 -14.053 -1.093 1.462 1.00 0.00 H new ATOM 0 HZ2 TRP A 4 -15.322 -1.553 6.244 1.00 0.00 H new ATOM 0 HZ3 TRP A 4 -16.023 0.125 2.347 1.00 0.00 H new ATOM 0 HH2 TRP A 4 -16.662 -0.101 4.735 1.00 0.00 H new ATOM 79 N LYS A 5 -9.264 -3.827 0.562 1.00 0.00 N ATOM 80 CA LYS A 5 -8.110 -4.682 0.169 1.00 0.00 C ATOM 81 C LYS A 5 -7.158 -3.889 -0.733 1.00 0.00 C ATOM 82 O LYS A 5 -6.845 -4.298 -1.833 1.00 0.00 O ATOM 83 CB LYS A 5 -8.732 -5.848 -0.596 1.00 0.00 C ATOM 84 CG LYS A 5 -9.698 -6.602 0.321 1.00 0.00 C ATOM 85 CD LYS A 5 -9.942 -8.006 -0.237 1.00 0.00 C ATOM 86 CE LYS A 5 -8.701 -8.870 -0.006 1.00 0.00 C ATOM 87 NZ LYS A 5 -8.879 -9.448 1.357 1.00 0.00 N ATOM 0 H LYS A 5 -10.115 -3.975 0.019 1.00 0.00 H new ATOM 0 HA LYS A 5 -7.528 -5.022 1.025 1.00 0.00 H new ATOM 0 HB2 LYS A 5 -9.261 -5.479 -1.475 1.00 0.00 H new ATOM 0 HB3 LYS A 5 -7.952 -6.521 -0.952 1.00 0.00 H new ATOM 0 HG2 LYS A 5 -9.285 -6.666 1.328 1.00 0.00 H new ATOM 0 HG3 LYS A 5 -10.641 -6.061 0.397 1.00 0.00 H new ATOM 0 HD2 LYS A 5 -10.807 -8.457 0.249 1.00 0.00 H new ATOM 0 HD3 LYS A 5 -10.167 -7.951 -1.302 1.00 0.00 H new ATOM 0 HE2 LYS A 5 -8.620 -9.654 -0.759 1.00 0.00 H new ATOM 0 HE3 LYS A 5 -7.790 -8.275 -0.066 1.00 0.00 H new ATOM 0 HZ1 LYS A 5 -8.065 -10.054 1.586 1.00 0.00 H new ATOM 0 HZ2 LYS A 5 -8.946 -8.679 2.054 1.00 0.00 H new ATOM 0 HZ3 LYS A 5 -9.751 -10.015 1.383 1.00 0.00 H new ATOM 101 N TRP A 6 -6.704 -2.756 -0.276 1.00 0.00 N ATOM 102 CA TRP A 6 -5.781 -1.931 -1.103 1.00 0.00 C ATOM 103 C TRP A 6 -4.348 -2.454 -0.993 1.00 0.00 C ATOM 104 O TRP A 6 -3.925 -2.903 0.053 1.00 0.00 O ATOM 105 CB TRP A 6 -5.888 -0.524 -0.522 1.00 0.00 C ATOM 106 CG TRP A 6 -6.638 0.343 -1.466 1.00 0.00 C ATOM 107 CD1 TRP A 6 -7.974 0.339 -1.635 1.00 0.00 C ATOM 108 CD2 TRP A 6 -6.112 1.337 -2.371 1.00 0.00 C ATOM 109 NE1 TRP A 6 -8.304 1.280 -2.596 1.00 0.00 N ATOM 110 CE2 TRP A 6 -7.183 1.924 -3.080 1.00 0.00 C ATOM 111 CE3 TRP A 6 -4.816 1.776 -2.635 1.00 0.00 C ATOM 112 CZ2 TRP A 6 -6.965 2.925 -4.029 1.00 0.00 C ATOM 113 CZ3 TRP A 6 -4.583 2.783 -3.588 1.00 0.00 C ATOM 114 CH2 TRP A 6 -5.659 3.356 -4.284 1.00 0.00 C ATOM 0 H TRP A 6 -6.933 -2.365 0.638 1.00 0.00 H new ATOM 0 HA TRP A 6 -6.040 -1.958 -2.161 1.00 0.00 H new ATOM 0 HB2 TRP A 6 -6.395 -0.554 0.442 1.00 0.00 H new ATOM 0 HB3 TRP A 6 -4.893 -0.114 -0.346 1.00 0.00 H new ATOM 0 HD1 TRP A 6 -8.673 -0.294 -1.108 1.00 0.00 H new ATOM 0 HE1 TRP A 6 -9.256 1.473 -2.907 1.00 0.00 H new ATOM 0 HE3 TRP A 6 -3.984 1.339 -2.103 1.00 0.00 H new ATOM 0 HZ2 TRP A 6 -7.797 3.362 -4.561 1.00 0.00 H new ATOM 0 HZ3 TRP A 6 -3.575 3.116 -3.785 1.00 0.00 H new ATOM 0 HH2 TRP A 6 -5.479 4.129 -5.016 1.00 0.00 H new ATOM 125 N PRO A 7 -3.648 -2.376 -2.092 1.00 0.00 N ATOM 126 CA PRO A 7 -2.246 -2.846 -2.142 1.00 0.00 C ATOM 127 C PRO A 7 -1.313 -1.820 -1.489 1.00 0.00 C ATOM 128 O PRO A 7 -1.447 -0.629 -1.689 1.00 0.00 O ATOM 129 CB PRO A 7 -1.965 -2.963 -3.637 1.00 0.00 C ATOM 130 CG PRO A 7 -2.917 -2.016 -4.297 1.00 0.00 C ATOM 131 CD PRO A 7 -4.103 -1.846 -3.381 1.00 0.00 C ATOM 0 HA PRO A 7 -2.087 -3.782 -1.607 1.00 0.00 H new ATOM 0 HB2 PRO A 7 -0.931 -2.702 -3.864 1.00 0.00 H new ATOM 0 HB3 PRO A 7 -2.120 -3.984 -3.987 1.00 0.00 H new ATOM 0 HG2 PRO A 7 -2.435 -1.056 -4.481 1.00 0.00 H new ATOM 0 HG3 PRO A 7 -3.234 -2.405 -5.265 1.00 0.00 H new ATOM 0 HD2 PRO A 7 -4.395 -0.799 -3.299 1.00 0.00 H new ATOM 0 HD3 PRO A 7 -4.972 -2.391 -3.750 1.00 0.00 H new ATOM 139 N TRP A 8 -0.367 -2.275 -0.715 1.00 0.00 N ATOM 140 CA TRP A 8 0.579 -1.334 -0.050 1.00 0.00 C ATOM 141 C TRP A 8 1.566 -2.108 0.822 1.00 0.00 C ATOM 142 O TRP A 8 1.244 -2.526 1.917 1.00 0.00 O ATOM 143 CB TRP A 8 -0.288 -0.437 0.821 1.00 0.00 C ATOM 144 CG TRP A 8 0.589 0.486 1.597 1.00 0.00 C ATOM 145 CD1 TRP A 8 1.788 0.974 1.198 1.00 0.00 C ATOM 146 CD2 TRP A 8 0.343 1.031 2.907 1.00 0.00 C ATOM 147 NE1 TRP A 8 2.289 1.789 2.201 1.00 0.00 N ATOM 148 CE2 TRP A 8 1.427 1.855 3.279 1.00 0.00 C ATOM 149 CE3 TRP A 8 -0.719 0.881 3.793 1.00 0.00 C ATOM 150 CZ2 TRP A 8 1.452 2.512 4.508 1.00 0.00 C ATOM 151 CZ3 TRP A 8 -0.708 1.536 5.034 1.00 0.00 C ATOM 152 CH2 TRP A 8 0.378 2.353 5.393 1.00 0.00 C ATOM 0 H TRP A 8 -0.207 -3.262 -0.513 1.00 0.00 H new ATOM 0 HA TRP A 8 1.160 -0.764 -0.775 1.00 0.00 H new ATOM 0 HB2 TRP A 8 -0.980 0.134 0.201 1.00 0.00 H new ATOM 0 HB3 TRP A 8 -0.891 -1.041 1.499 1.00 0.00 H new ATOM 0 HD1 TRP A 8 2.272 0.763 0.256 1.00 0.00 H new ATOM 0 HE1 TRP A 8 3.182 2.279 2.150 1.00 0.00 H new ATOM 0 HE3 TRP A 8 -1.558 0.256 3.524 1.00 0.00 H new ATOM 0 HZ2 TRP A 8 2.291 3.137 4.775 1.00 0.00 H new ATOM 0 HZ3 TRP A 8 -1.537 1.412 5.715 1.00 0.00 H new ATOM 0 HH2 TRP A 8 0.384 2.857 6.348 1.00 0.00 H new ATOM 163 N TRP A 9 2.766 -2.302 0.353 1.00 0.00 N ATOM 164 CA TRP A 9 3.764 -3.049 1.164 1.00 0.00 C ATOM 165 C TRP A 9 4.864 -2.107 1.661 1.00 0.00 C ATOM 166 O TRP A 9 5.847 -1.888 0.980 1.00 0.00 O ATOM 167 CB TRP A 9 4.342 -4.100 0.217 1.00 0.00 C ATOM 168 CG TRP A 9 4.661 -5.337 0.984 1.00 0.00 C ATOM 169 CD1 TRP A 9 5.815 -6.041 0.912 1.00 0.00 C ATOM 170 CD2 TRP A 9 3.826 -6.019 1.940 1.00 0.00 C ATOM 171 NE1 TRP A 9 5.728 -7.121 1.777 1.00 0.00 N ATOM 172 CE2 TRP A 9 4.512 -7.148 2.433 1.00 0.00 C ATOM 173 CE3 TRP A 9 2.542 -5.755 2.414 1.00 0.00 C ATOM 174 CZ2 TRP A 9 3.934 -7.994 3.379 1.00 0.00 C ATOM 175 CZ3 TRP A 9 1.947 -6.600 3.364 1.00 0.00 C ATOM 176 CH2 TRP A 9 2.642 -7.719 3.848 1.00 0.00 C ATOM 0 H TRP A 9 3.098 -1.976 -0.555 1.00 0.00 H new ATOM 0 HA TRP A 9 3.316 -3.501 2.049 1.00 0.00 H new ATOM 0 HB2 TRP A 9 3.627 -4.324 -0.575 1.00 0.00 H new ATOM 0 HB3 TRP A 9 5.241 -3.716 -0.265 1.00 0.00 H new ATOM 0 HD1 TRP A 9 6.662 -5.801 0.286 1.00 0.00 H new ATOM 0 HE1 TRP A 9 6.469 -7.809 1.912 1.00 0.00 H new ATOM 0 HE3 TRP A 9 2.001 -4.895 2.048 1.00 0.00 H new ATOM 0 HZ2 TRP A 9 4.476 -8.853 3.747 1.00 0.00 H new ATOM 0 HZ3 TRP A 9 0.951 -6.388 3.724 1.00 0.00 H new ATOM 0 HH2 TRP A 9 2.183 -8.367 4.580 1.00 0.00 H new ATOM 187 N PRO A 10 4.662 -1.587 2.841 1.00 0.00 N ATOM 188 CA PRO A 10 5.655 -0.664 3.445 1.00 0.00 C ATOM 189 C PRO A 10 6.905 -1.442 3.877 1.00 0.00 C ATOM 190 O PRO A 10 6.880 -2.164 4.853 1.00 0.00 O ATOM 191 CB PRO A 10 4.924 -0.096 4.659 1.00 0.00 C ATOM 192 CG PRO A 10 3.894 -1.125 5.006 1.00 0.00 C ATOM 193 CD PRO A 10 3.505 -1.806 3.717 1.00 0.00 C ATOM 0 HA PRO A 10 5.996 0.111 2.759 1.00 0.00 H new ATOM 0 HB2 PRO A 10 5.609 0.072 5.490 1.00 0.00 H new ATOM 0 HB3 PRO A 10 4.461 0.864 4.428 1.00 0.00 H new ATOM 0 HG2 PRO A 10 4.293 -1.846 5.719 1.00 0.00 H new ATOM 0 HG3 PRO A 10 3.026 -0.661 5.475 1.00 0.00 H new ATOM 0 HD2 PRO A 10 3.313 -2.868 3.868 1.00 0.00 H new ATOM 0 HD3 PRO A 10 2.597 -1.375 3.295 1.00 0.00 H new ATOM 201 N TRP A 11 7.985 -1.311 3.139 1.00 0.00 N ATOM 202 CA TRP A 11 9.249 -2.050 3.480 1.00 0.00 C ATOM 203 C TRP A 11 9.358 -2.296 4.981 1.00 0.00 C ATOM 204 O TRP A 11 9.357 -3.421 5.443 1.00 0.00 O ATOM 205 CB TRP A 11 10.439 -1.193 3.011 1.00 0.00 C ATOM 206 CG TRP A 11 9.988 0.112 2.464 1.00 0.00 C ATOM 207 CD1 TRP A 11 9.416 1.104 3.167 1.00 0.00 C ATOM 208 CD2 TRP A 11 10.048 0.549 1.101 1.00 0.00 C ATOM 209 NE1 TRP A 11 9.137 2.153 2.303 1.00 0.00 N ATOM 210 CE2 TRP A 11 9.513 1.849 1.007 1.00 0.00 C ATOM 211 CE3 TRP A 11 10.525 -0.069 -0.044 1.00 0.00 C ATOM 212 CZ2 TRP A 11 9.458 2.522 -0.214 1.00 0.00 C ATOM 213 CZ3 TRP A 11 10.476 0.592 -1.283 1.00 0.00 C ATOM 214 CH2 TRP A 11 9.943 1.889 -1.367 1.00 0.00 C ATOM 0 H TRP A 11 8.046 -0.720 2.310 1.00 0.00 H new ATOM 0 HA TRP A 11 9.245 -3.021 2.984 1.00 0.00 H new ATOM 0 HB2 TRP A 11 11.118 -1.023 3.847 1.00 0.00 H new ATOM 0 HB3 TRP A 11 11.000 -1.734 2.249 1.00 0.00 H new ATOM 0 HD1 TRP A 11 9.208 1.087 4.227 1.00 0.00 H new ATOM 0 HE1 TRP A 11 8.710 3.035 2.587 1.00 0.00 H new ATOM 0 HE3 TRP A 11 10.937 -1.065 0.016 1.00 0.00 H new ATOM 0 HZ2 TRP A 11 9.047 3.519 -0.270 1.00 0.00 H new ATOM 0 HZ3 TRP A 11 10.848 0.103 -2.171 1.00 0.00 H new ATOM 0 HH2 TRP A 11 9.907 2.398 -2.319 1.00 0.00 H new ATOM 225 N ARG A 12 9.455 -1.251 5.738 1.00 0.00 N ATOM 226 CA ARG A 12 9.567 -1.406 7.220 1.00 0.00 C ATOM 227 C ARG A 12 8.444 -2.304 7.741 1.00 0.00 C ATOM 228 O ARG A 12 7.294 -1.916 7.779 1.00 0.00 O ATOM 229 CB ARG A 12 9.438 0.002 7.800 1.00 0.00 C ATOM 230 CG ARG A 12 10.676 0.322 8.639 1.00 0.00 C ATOM 231 CD ARG A 12 10.896 -0.784 9.674 1.00 0.00 C ATOM 232 NE ARG A 12 9.557 -1.008 10.282 1.00 0.00 N ATOM 233 CZ ARG A 12 9.032 -0.102 11.062 1.00 0.00 C ATOM 234 NH1 ARG A 12 9.729 0.948 11.409 1.00 0.00 N ATOM 235 NH2 ARG A 12 7.810 -0.245 11.499 1.00 0.00 N ATOM 0 H ARG A 12 9.462 -0.288 5.401 1.00 0.00 H new ATOM 0 HA ARG A 12 10.511 -1.869 7.507 1.00 0.00 H new ATOM 0 HB2 ARG A 12 9.332 0.730 6.996 1.00 0.00 H new ATOM 0 HB3 ARG A 12 8.541 0.073 8.414 1.00 0.00 H new ATOM 0 HG2 ARG A 12 11.551 0.410 7.995 1.00 0.00 H new ATOM 0 HG3 ARG A 12 10.550 1.282 9.139 1.00 0.00 H new ATOM 0 HD2 ARG A 12 11.275 -1.693 9.207 1.00 0.00 H new ATOM 0 HD3 ARG A 12 11.626 -0.483 10.425 1.00 0.00 H new ATOM 0 HE ARG A 12 9.048 -1.871 10.089 1.00 0.00 H new ATOM 0 HH11 ARG A 12 10.685 1.061 11.070 1.00 0.00 H new ATOM 0 HH12 ARG A 12 9.317 1.655 12.018 1.00 0.00 H new ATOM 0 HH21 ARG A 12 7.265 -1.065 11.231 1.00 0.00 H new ATOM 0 HH22 ARG A 12 7.400 0.463 12.108 1.00 0.00 H new ATOM 249 N ARG A 13 8.767 -3.503 8.138 1.00 0.00 N ATOM 250 CA ARG A 13 7.722 -4.426 8.653 1.00 0.00 C ATOM 251 C ARG A 13 7.770 -4.468 10.186 1.00 0.00 C ATOM 252 O ARG A 13 8.689 -5.009 10.765 1.00 0.00 O ATOM 253 CB ARG A 13 8.090 -5.783 8.040 1.00 0.00 C ATOM 254 CG ARG A 13 7.570 -6.925 8.914 1.00 0.00 C ATOM 255 CD ARG A 13 6.044 -6.982 8.825 1.00 0.00 C ATOM 256 NE ARG A 13 5.741 -8.329 8.272 1.00 0.00 N ATOM 257 CZ ARG A 13 4.633 -8.937 8.601 1.00 0.00 C ATOM 258 NH1 ARG A 13 3.494 -8.308 8.512 1.00 0.00 N ATOM 259 NH2 ARG A 13 4.665 -10.173 9.018 1.00 0.00 N ATOM 0 H ARG A 13 9.713 -3.883 8.127 1.00 0.00 H new ATOM 0 HA ARG A 13 6.709 -4.123 8.390 1.00 0.00 H new ATOM 0 HB2 ARG A 13 7.668 -5.863 7.038 1.00 0.00 H new ATOM 0 HB3 ARG A 13 9.172 -5.860 7.937 1.00 0.00 H new ATOM 0 HG2 ARG A 13 8.000 -7.872 8.587 1.00 0.00 H new ATOM 0 HG3 ARG A 13 7.879 -6.775 9.948 1.00 0.00 H new ATOM 0 HD2 ARG A 13 5.586 -6.845 9.805 1.00 0.00 H new ATOM 0 HD3 ARG A 13 5.657 -6.194 8.179 1.00 0.00 H new ATOM 0 HE ARG A 13 6.399 -8.778 7.635 1.00 0.00 H new ATOM 0 HH11 ARG A 13 3.469 -7.342 8.186 1.00 0.00 H new ATOM 0 HH12 ARG A 13 2.628 -8.782 8.769 1.00 0.00 H new ATOM 0 HH21 ARG A 13 5.556 -10.665 9.087 1.00 0.00 H new ATOM 0 HH22 ARG A 13 3.799 -10.647 9.275 1.00 0.00 H new HETATM 273 N NH2 A 14 6.807 -3.913 10.870 1.00 0.00 N TER 276 NH2 A 14