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+ 157:sc= -0.937 (180deg=-1.9!) USER MOD Single : A 5 LYS NZ :NH3+ -176:sc=-0.00219 (180deg=-0.03) USER MOD ----------------------------------------------------------------- ATOM 1 N ILE A 1 -4.643 -13.401 6.224 1.00 0.00 N ATOM 2 CA ILE A 1 -4.063 -12.238 5.491 1.00 0.00 C ATOM 3 C ILE A 1 -5.181 -11.362 4.919 1.00 0.00 C ATOM 4 O ILE A 1 -6.345 -11.706 4.978 1.00 0.00 O ATOM 5 CB ILE A 1 -3.235 -12.852 4.363 1.00 0.00 C ATOM 6 CG1 ILE A 1 -4.044 -13.961 3.686 1.00 0.00 C ATOM 7 CG2 ILE A 1 -1.944 -13.441 4.936 1.00 0.00 C ATOM 8 CD1 ILE A 1 -3.370 -14.359 2.372 1.00 0.00 C ATOM 0 H1 ILE A 1 -3.942 -14.168 6.267 1.00 0.00 H new ATOM 0 H2 ILE A 1 -4.899 -13.110 7.189 1.00 0.00 H new ATOM 0 H3 ILE A 1 -5.493 -13.736 5.727 1.00 0.00 H new ATOM 0 HA ILE A 1 -3.460 -11.602 6.139 1.00 0.00 H new ATOM 0 HB ILE A 1 -2.988 -12.081 3.633 1.00 0.00 H new ATOM 0 HG12 ILE A 1 -4.117 -14.826 4.345 1.00 0.00 H new ATOM 0 HG13 ILE A 1 -5.061 -13.618 3.496 1.00 0.00 H new ATOM 0 HG21 ILE A 1 -1.355 -13.879 4.130 1.00 0.00 H new ATOM 0 HG22 ILE A 1 -1.368 -12.652 5.420 1.00 0.00 H new ATOM 0 HG23 ILE A 1 -2.189 -14.212 5.666 1.00 0.00 H new ATOM 0 HD11 ILE A 1 -3.947 -15.149 1.891 1.00 0.00 H new ATOM 0 HD12 ILE A 1 -3.320 -13.493 1.712 1.00 0.00 H new ATOM 0 HD13 ILE A 1 -2.361 -14.719 2.575 1.00 0.00 H new ATOM 22 N LEU A 2 -4.838 -10.234 4.362 1.00 0.00 N ATOM 23 CA LEU A 2 -5.879 -9.338 3.784 1.00 0.00 C ATOM 24 C LEU A 2 -5.535 -8.995 2.333 1.00 0.00 C ATOM 25 O LEU A 2 -5.149 -7.883 2.032 1.00 0.00 O ATOM 26 CB LEU A 2 -5.854 -8.085 4.659 1.00 0.00 C ATOM 27 CG LEU A 2 -6.298 -8.444 6.077 1.00 0.00 C ATOM 28 CD1 LEU A 2 -5.069 -8.595 6.976 1.00 0.00 C ATOM 29 CD2 LEU A 2 -7.196 -7.336 6.629 1.00 0.00 C ATOM 0 H LEU A 2 -3.880 -9.893 4.282 1.00 0.00 H new ATOM 0 HA LEU A 2 -6.865 -9.802 3.771 1.00 0.00 H new ATOM 0 HB2 LEU A 2 -4.850 -7.661 4.677 1.00 0.00 H new ATOM 0 HB3 LEU A 2 -6.513 -7.324 4.242 1.00 0.00 H new ATOM 0 HG LEU A 2 -6.851 -9.383 6.054 1.00 0.00 H new ATOM 0 HD11 LEU A 2 -5.387 -8.851 7.987 1.00 0.00 H new ATOM 0 HD12 LEU A 2 -4.428 -9.386 6.586 1.00 0.00 H new ATOM 0 HD13 LEU A 2 -4.516 -7.656 6.996 1.00 0.00 H new ATOM 0 HD21 LEU A 2 -7.512 -7.593 7.640 1.00 0.00 H new ATOM 0 HD22 LEU A 2 -6.644 -6.396 6.649 1.00 0.00 H new ATOM 0 HD23 LEU A 2 -8.073 -7.227 5.991 1.00 0.00 H new ATOM 41 N PRO A 3 -5.689 -9.972 1.479 1.00 0.00 N ATOM 42 CA PRO A 3 -5.393 -9.782 0.038 1.00 0.00 C ATOM 43 C PRO A 3 -6.502 -8.978 -0.647 1.00 0.00 C ATOM 44 O PRO A 3 -6.496 -8.797 -1.848 1.00 0.00 O ATOM 45 CB PRO A 3 -5.347 -11.206 -0.506 1.00 0.00 C ATOM 46 CG PRO A 3 -6.189 -12.014 0.432 1.00 0.00 C ATOM 47 CD PRO A 3 -6.146 -11.333 1.777 1.00 0.00 C ATOM 0 HA PRO A 3 -4.471 -9.228 -0.135 1.00 0.00 H new ATOM 0 HB2 PRO A 3 -5.737 -11.251 -1.523 1.00 0.00 H new ATOM 0 HB3 PRO A 3 -4.324 -11.582 -0.539 1.00 0.00 H new ATOM 0 HG2 PRO A 3 -7.214 -12.080 0.068 1.00 0.00 H new ATOM 0 HG3 PRO A 3 -5.811 -13.034 0.506 1.00 0.00 H new ATOM 0 HD2 PRO A 3 -7.127 -11.328 2.252 1.00 0.00 H new ATOM 0 HD3 PRO A 3 -5.464 -11.841 2.459 1.00 0.00 H new ATOM 55 N TRP A 4 -7.453 -8.489 0.104 1.00 0.00 N ATOM 56 CA TRP A 4 -8.554 -7.697 -0.514 1.00 0.00 C ATOM 57 C TRP A 4 -8.431 -6.225 -0.127 1.00 0.00 C ATOM 58 O TRP A 4 -9.280 -5.415 -0.441 1.00 0.00 O ATOM 59 CB TRP A 4 -9.869 -8.279 0.005 1.00 0.00 C ATOM 60 CG TRP A 4 -9.668 -8.961 1.307 1.00 0.00 C ATOM 61 CD1 TRP A 4 -9.287 -8.355 2.440 1.00 0.00 C ATOM 62 CD2 TRP A 4 -9.815 -10.363 1.609 1.00 0.00 C ATOM 63 NE1 TRP A 4 -9.204 -9.306 3.445 1.00 0.00 N ATOM 64 CE2 TRP A 4 -9.525 -10.568 2.975 1.00 0.00 C ATOM 65 CE3 TRP A 4 -10.178 -11.461 0.827 1.00 0.00 C ATOM 66 CZ2 TRP A 4 -9.593 -11.836 3.551 1.00 0.00 C ATOM 67 CZ3 TRP A 4 -10.249 -12.744 1.395 1.00 0.00 C ATOM 68 CH2 TRP A 4 -9.958 -12.931 2.758 1.00 0.00 C ATOM 0 H TRP A 4 -7.514 -8.604 1.116 1.00 0.00 H new ATOM 0 HA TRP A 4 -8.510 -7.753 -1.602 1.00 0.00 H new ATOM 0 HB2 TRP A 4 -10.605 -7.483 0.117 1.00 0.00 H new ATOM 0 HB3 TRP A 4 -10.271 -8.985 -0.722 1.00 0.00 H new ATOM 0 HD1 TRP A 4 -9.079 -7.301 2.551 1.00 0.00 H new ATOM 0 HE1 TRP A 4 -8.940 -9.102 4.409 1.00 0.00 H new ATOM 0 HE3 TRP A 4 -10.405 -11.323 -0.220 1.00 0.00 H new ATOM 0 HZ2 TRP A 4 -9.366 -11.972 4.598 1.00 0.00 H new ATOM 0 HZ3 TRP A 4 -10.528 -13.589 0.783 1.00 0.00 H new ATOM 0 HH2 TRP A 4 -10.016 -13.918 3.193 1.00 0.00 H new ATOM 79 N LYS A 5 -7.378 -5.870 0.556 1.00 0.00 N ATOM 80 CA LYS A 5 -7.195 -4.453 0.966 1.00 0.00 C ATOM 81 C LYS A 5 -6.314 -3.716 -0.047 1.00 0.00 C ATOM 82 O LYS A 5 -5.665 -4.322 -0.874 1.00 0.00 O ATOM 83 CB LYS A 5 -6.501 -4.529 2.324 1.00 0.00 C ATOM 84 CG LYS A 5 -5.050 -4.975 2.135 1.00 0.00 C ATOM 85 CD LYS A 5 -4.110 -3.827 2.506 1.00 0.00 C ATOM 86 CE LYS A 5 -3.649 -3.992 3.956 1.00 0.00 C ATOM 87 NZ LYS A 5 -4.480 -3.033 4.734 1.00 0.00 N ATOM 0 H LYS A 5 -6.635 -6.504 0.848 1.00 0.00 H new ATOM 0 HA LYS A 5 -8.139 -3.910 1.016 1.00 0.00 H new ATOM 0 HB2 LYS A 5 -6.532 -3.556 2.814 1.00 0.00 H new ATOM 0 HB3 LYS A 5 -7.026 -5.230 2.973 1.00 0.00 H new ATOM 0 HG2 LYS A 5 -4.842 -5.845 2.758 1.00 0.00 H new ATOM 0 HG3 LYS A 5 -4.883 -5.276 1.101 1.00 0.00 H new ATOM 0 HD2 LYS A 5 -3.249 -3.818 1.838 1.00 0.00 H new ATOM 0 HD3 LYS A 5 -4.619 -2.871 2.382 1.00 0.00 H new ATOM 0 HE2 LYS A 5 -3.796 -5.015 4.303 1.00 0.00 H new ATOM 0 HE3 LYS A 5 -2.587 -3.770 4.061 1.00 0.00 H new ATOM 0 HZ1 LYS A 5 -4.176 -3.038 5.729 1.00 0.00 H new ATOM 0 HZ2 LYS A 5 -4.366 -2.077 4.342 1.00 0.00 H new ATOM 0 HZ3 LYS A 5 -5.480 -3.314 4.676 1.00 0.00 H new ATOM 101 N TRP A 6 -6.287 -2.414 0.011 1.00 0.00 N ATOM 102 CA TRP A 6 -5.447 -1.643 -0.949 1.00 0.00 C ATOM 103 C TRP A 6 -4.032 -2.219 -1.006 1.00 0.00 C ATOM 104 O TRP A 6 -3.531 -2.741 -0.030 1.00 0.00 O ATOM 105 CB TRP A 6 -5.433 -0.217 -0.415 1.00 0.00 C ATOM 106 CG TRP A 6 -4.494 0.602 -1.226 1.00 0.00 C ATOM 107 CD1 TRP A 6 -3.170 0.411 -1.284 1.00 0.00 C ATOM 108 CD2 TRP A 6 -4.788 1.725 -2.093 1.00 0.00 C ATOM 109 NE1 TRP A 6 -2.614 1.354 -2.132 1.00 0.00 N ATOM 110 CE2 TRP A 6 -3.579 2.190 -2.657 1.00 0.00 C ATOM 111 CE3 TRP A 6 -5.978 2.375 -2.437 1.00 0.00 C ATOM 112 CZ2 TRP A 6 -3.553 3.273 -3.536 1.00 0.00 C ATOM 113 CZ3 TRP A 6 -5.962 3.466 -3.322 1.00 0.00 C ATOM 114 CH2 TRP A 6 -4.750 3.916 -3.870 1.00 0.00 C ATOM 0 H TRP A 6 -6.810 -1.850 0.681 1.00 0.00 H new ATOM 0 HA TRP A 6 -5.841 -1.688 -1.964 1.00 0.00 H new ATOM 0 HB2 TRP A 6 -6.435 0.209 -0.457 1.00 0.00 H new ATOM 0 HB3 TRP A 6 -5.128 -0.211 0.631 1.00 0.00 H new ATOM 0 HD1 TRP A 6 -2.624 -0.355 -0.754 1.00 0.00 H new ATOM 0 HE1 TRP A 6 -1.618 1.422 -2.342 1.00 0.00 H new ATOM 0 HE3 TRP A 6 -6.915 2.036 -2.020 1.00 0.00 H new ATOM 0 HZ2 TRP A 6 -2.617 3.612 -3.955 1.00 0.00 H new ATOM 0 HZ3 TRP A 6 -6.886 3.961 -3.582 1.00 0.00 H new ATOM 0 HH2 TRP A 6 -4.742 4.757 -4.548 1.00 0.00 H new ATOM 125 N PRO A 7 -3.439 -2.103 -2.163 1.00 0.00 N ATOM 126 CA PRO A 7 -2.071 -2.614 -2.377 1.00 0.00 C ATOM 127 C PRO A 7 -1.034 -1.563 -1.963 1.00 0.00 C ATOM 128 O PRO A 7 -0.866 -0.553 -2.617 1.00 0.00 O ATOM 129 CB PRO A 7 -2.028 -2.863 -3.881 1.00 0.00 C ATOM 130 CG PRO A 7 -3.061 -1.951 -4.479 1.00 0.00 C ATOM 131 CD PRO A 7 -3.984 -1.488 -3.376 1.00 0.00 C ATOM 0 HA PRO A 7 -1.843 -3.504 -1.791 1.00 0.00 H new ATOM 0 HB2 PRO A 7 -1.038 -2.649 -4.284 1.00 0.00 H new ATOM 0 HB3 PRO A 7 -2.248 -3.906 -4.111 1.00 0.00 H new ATOM 0 HG2 PRO A 7 -2.582 -1.096 -4.956 1.00 0.00 H new ATOM 0 HG3 PRO A 7 -3.625 -2.472 -5.252 1.00 0.00 H new ATOM 0 HD2 PRO A 7 -3.997 -0.401 -3.299 1.00 0.00 H new ATOM 0 HD3 PRO A 7 -5.010 -1.807 -3.557 1.00 0.00 H new ATOM 139 N TRP A 8 -0.342 -1.794 -0.881 1.00 0.00 N ATOM 140 CA TRP A 8 0.681 -0.809 -0.426 1.00 0.00 C ATOM 141 C TRP A 8 1.559 -1.420 0.667 1.00 0.00 C ATOM 142 O TRP A 8 1.846 -0.791 1.665 1.00 0.00 O ATOM 143 CB TRP A 8 -0.117 0.358 0.143 1.00 0.00 C ATOM 144 CG TRP A 8 0.814 1.427 0.602 1.00 0.00 C ATOM 145 CD1 TRP A 8 1.963 1.808 -0.005 1.00 0.00 C ATOM 146 CD2 TRP A 8 0.675 2.254 1.769 1.00 0.00 C ATOM 147 NE1 TRP A 8 2.536 2.828 0.739 1.00 0.00 N ATOM 148 CE2 TRP A 8 1.770 3.136 1.849 1.00 0.00 C ATOM 149 CE3 TRP A 8 -0.304 2.307 2.755 1.00 0.00 C ATOM 150 CZ2 TRP A 8 1.888 4.055 2.895 1.00 0.00 C ATOM 151 CZ3 TRP A 8 -0.200 3.223 3.812 1.00 0.00 C ATOM 152 CH2 TRP A 8 0.898 4.098 3.884 1.00 0.00 C ATOM 0 H TRP A 8 -0.440 -2.621 -0.293 1.00 0.00 H new ATOM 0 HA TRP A 8 1.340 -0.504 -1.238 1.00 0.00 H new ATOM 0 HB2 TRP A 8 -0.793 0.752 -0.615 1.00 0.00 H new ATOM 0 HB3 TRP A 8 -0.734 0.018 0.975 1.00 0.00 H new ATOM 0 HD1 TRP A 8 2.365 1.388 -0.915 1.00 0.00 H new ATOM 0 HE1 TRP A 8 3.412 3.293 0.498 1.00 0.00 H new ATOM 0 HE3 TRP A 8 -1.151 1.638 2.707 1.00 0.00 H new ATOM 0 HZ2 TRP A 8 2.734 4.725 2.940 1.00 0.00 H new ATOM 0 HZ3 TRP A 8 -0.966 3.256 4.573 1.00 0.00 H new ATOM 0 HH2 TRP A 8 0.978 4.801 4.700 1.00 0.00 H new ATOM 163 N TRP A 9 1.982 -2.637 0.491 1.00 0.00 N ATOM 164 CA TRP A 9 2.837 -3.286 1.527 1.00 0.00 C ATOM 165 C TRP A 9 4.027 -2.387 1.876 1.00 0.00 C ATOM 166 O TRP A 9 4.960 -2.268 1.107 1.00 0.00 O ATOM 167 CB TRP A 9 3.319 -4.586 0.880 1.00 0.00 C ATOM 168 CG TRP A 9 3.099 -5.724 1.815 1.00 0.00 C ATOM 169 CD1 TRP A 9 2.476 -6.889 1.520 1.00 0.00 C ATOM 170 CD2 TRP A 9 3.495 -5.814 3.197 1.00 0.00 C ATOM 171 NE1 TRP A 9 2.474 -7.690 2.652 1.00 0.00 N ATOM 172 CE2 TRP A 9 3.096 -7.064 3.714 1.00 0.00 C ATOM 173 CE3 TRP A 9 4.162 -4.925 4.034 1.00 0.00 C ATOM 174 CZ2 TRP A 9 3.355 -7.418 5.040 1.00 0.00 C ATOM 175 CZ3 TRP A 9 4.432 -5.268 5.369 1.00 0.00 C ATOM 176 CH2 TRP A 9 4.029 -6.516 5.871 1.00 0.00 C ATOM 0 H TRP A 9 1.774 -3.213 -0.325 1.00 0.00 H new ATOM 0 HA TRP A 9 2.295 -3.466 2.456 1.00 0.00 H new ATOM 0 HB2 TRP A 9 2.782 -4.760 -0.053 1.00 0.00 H new ATOM 0 HB3 TRP A 9 4.377 -4.508 0.629 1.00 0.00 H new ATOM 0 HD1 TRP A 9 2.051 -7.151 0.562 1.00 0.00 H new ATOM 0 HE1 TRP A 9 2.065 -8.623 2.695 1.00 0.00 H new ATOM 0 HE3 TRP A 9 4.475 -3.964 3.654 1.00 0.00 H new ATOM 0 HZ2 TRP A 9 3.038 -8.378 5.420 1.00 0.00 H new ATOM 0 HZ3 TRP A 9 4.950 -4.571 6.010 1.00 0.00 H new ATOM 0 HH2 TRP A 9 4.239 -6.779 6.897 1.00 0.00 H new ATOM 187 N PRO A 10 3.956 -1.784 3.035 1.00 0.00 N ATOM 188 CA PRO A 10 5.049 -0.889 3.497 1.00 0.00 C ATOM 189 C PRO A 10 6.302 -1.703 3.833 1.00 0.00 C ATOM 190 O PRO A 10 6.452 -2.189 4.935 1.00 0.00 O ATOM 191 CB PRO A 10 4.470 -0.236 4.750 1.00 0.00 C ATOM 192 CG PRO A 10 3.435 -1.198 5.237 1.00 0.00 C ATOM 193 CD PRO A 10 2.869 -1.877 4.019 1.00 0.00 C ATOM 0 HA PRO A 10 5.355 -0.161 2.745 1.00 0.00 H new ATOM 0 HB2 PRO A 10 5.241 -0.070 5.502 1.00 0.00 H new ATOM 0 HB3 PRO A 10 4.032 0.736 4.523 1.00 0.00 H new ATOM 0 HG2 PRO A 10 3.874 -1.927 5.918 1.00 0.00 H new ATOM 0 HG3 PRO A 10 2.652 -0.678 5.789 1.00 0.00 H new ATOM 0 HD2 PRO A 10 2.603 -2.914 4.225 1.00 0.00 H new ATOM 0 HD3 PRO A 10 1.965 -1.380 3.666 1.00 0.00 H new ATOM 201 N TRP A 11 7.187 -1.865 2.876 1.00 0.00 N ATOM 202 CA TRP A 11 8.442 -2.665 3.107 1.00 0.00 C ATOM 203 C TRP A 11 8.880 -2.614 4.569 1.00 0.00 C ATOM 204 O TRP A 11 8.967 -3.623 5.239 1.00 0.00 O ATOM 205 CB TRP A 11 9.550 -2.067 2.224 1.00 0.00 C ATOM 206 CG TRP A 11 9.081 -0.860 1.499 1.00 0.00 C ATOM 207 CD1 TRP A 11 8.753 0.316 2.057 1.00 0.00 C ATOM 208 CD2 TRP A 11 8.868 -0.723 0.088 1.00 0.00 C ATOM 209 NE1 TRP A 11 8.367 1.191 1.053 1.00 0.00 N ATOM 210 CE2 TRP A 11 8.422 0.584 -0.189 1.00 0.00 C ATOM 211 CE3 TRP A 11 9.031 -1.617 -0.960 1.00 0.00 C ATOM 212 CZ2 TRP A 11 8.146 0.993 -1.495 1.00 0.00 C ATOM 213 CZ3 TRP A 11 8.757 -1.225 -2.279 1.00 0.00 C ATOM 214 CH2 TRP A 11 8.314 0.083 -2.548 1.00 0.00 C ATOM 0 H TRP A 11 7.096 -1.476 1.938 1.00 0.00 H new ATOM 0 HA TRP A 11 8.252 -3.708 2.855 1.00 0.00 H new ATOM 0 HB2 TRP A 11 10.409 -1.809 2.843 1.00 0.00 H new ATOM 0 HB3 TRP A 11 9.887 -2.815 1.506 1.00 0.00 H new ATOM 0 HD1 TRP A 11 8.785 0.543 3.112 1.00 0.00 H new ATOM 0 HE1 TRP A 11 8.080 2.157 1.210 1.00 0.00 H new ATOM 0 HE3 TRP A 11 9.371 -2.622 -0.759 1.00 0.00 H new ATOM 0 HZ2 TRP A 11 7.807 1.999 -1.692 1.00 0.00 H new ATOM 0 HZ3 TRP A 11 8.886 -1.928 -3.089 1.00 0.00 H new ATOM 0 HH2 TRP A 11 8.104 0.385 -3.563 1.00 0.00 H new ATOM 225 N ARG A 12 9.163 -1.442 5.051 1.00 0.00 N ATOM 226 CA ARG A 12 9.612 -1.282 6.471 1.00 0.00 C ATOM 227 C ARG A 12 8.905 -2.286 7.384 1.00 0.00 C ATOM 228 O ARG A 12 7.697 -2.275 7.520 1.00 0.00 O ATOM 229 CB ARG A 12 9.231 0.144 6.861 1.00 0.00 C ATOM 230 CG ARG A 12 10.454 0.857 7.442 1.00 0.00 C ATOM 231 CD ARG A 12 10.297 0.983 8.959 1.00 0.00 C ATOM 232 NE ARG A 12 10.553 -0.386 9.488 1.00 0.00 N ATOM 233 CZ ARG A 12 11.713 -0.675 10.011 1.00 0.00 C ATOM 234 NH1 ARG A 12 12.065 -0.149 11.153 1.00 0.00 N ATOM 235 NH2 ARG A 12 12.523 -1.490 9.391 1.00 0.00 N ATOM 0 H ARG A 12 9.104 -0.572 4.521 1.00 0.00 H new ATOM 0 HA ARG A 12 10.682 -1.463 6.572 1.00 0.00 H new ATOM 0 HB2 ARG A 12 8.861 0.684 5.990 1.00 0.00 H new ATOM 0 HB3 ARG A 12 8.423 0.129 7.593 1.00 0.00 H new ATOM 0 HG2 ARG A 12 11.360 0.300 7.204 1.00 0.00 H new ATOM 0 HG3 ARG A 12 10.560 1.845 6.993 1.00 0.00 H new ATOM 0 HD2 ARG A 12 11.004 1.704 9.370 1.00 0.00 H new ATOM 0 HD3 ARG A 12 9.298 1.329 9.225 1.00 0.00 H new ATOM 0 HE ARG A 12 9.823 -1.096 9.441 1.00 0.00 H new ATOM 0 HH11 ARG A 12 11.433 0.489 11.637 1.00 0.00 H new ATOM 0 HH12 ARG A 12 12.972 -0.376 11.561 1.00 0.00 H new ATOM 0 HH21 ARG A 12 12.249 -1.900 8.498 1.00 0.00 H new ATOM 0 HH22 ARG A 12 13.430 -1.716 9.799 1.00 0.00 H new ATOM 249 N ARG A 13 9.651 -3.156 8.010 1.00 0.00 N ATOM 250 CA ARG A 13 9.034 -4.163 8.912 1.00 0.00 C ATOM 251 C ARG A 13 9.351 -3.821 10.372 1.00 0.00 C ATOM 252 O ARG A 13 10.273 -4.358 10.953 1.00 0.00 O ATOM 253 CB ARG A 13 9.682 -5.487 8.496 1.00 0.00 C ATOM 254 CG ARG A 13 9.629 -6.483 9.653 1.00 0.00 C ATOM 255 CD ARG A 13 9.570 -7.910 9.100 1.00 0.00 C ATOM 256 NE ARG A 13 10.985 -8.373 9.077 1.00 0.00 N ATOM 257 CZ ARG A 13 11.262 -9.636 9.248 1.00 0.00 C ATOM 258 NH1 ARG A 13 10.779 -10.276 10.277 1.00 0.00 N ATOM 259 NH2 ARG A 13 12.024 -10.259 8.391 1.00 0.00 N ATOM 0 H ARG A 13 10.667 -3.210 7.933 1.00 0.00 H new ATOM 0 HA ARG A 13 7.947 -4.201 8.835 1.00 0.00 H new ATOM 0 HB2 ARG A 13 9.165 -5.897 7.629 1.00 0.00 H new ATOM 0 HB3 ARG A 13 10.717 -5.317 8.199 1.00 0.00 H new ATOM 0 HG2 ARG A 13 10.507 -6.365 10.289 1.00 0.00 H new ATOM 0 HG3 ARG A 13 8.756 -6.287 10.275 1.00 0.00 H new ATOM 0 HD2 ARG A 13 8.955 -8.552 9.730 1.00 0.00 H new ATOM 0 HD3 ARG A 13 9.132 -7.929 8.102 1.00 0.00 H new ATOM 0 HE ARG A 13 11.738 -7.702 8.927 1.00 0.00 H new ATOM 0 HH11 ARG A 13 10.185 -9.789 10.948 1.00 0.00 H new ATOM 0 HH12 ARG A 13 10.996 -11.264 10.411 1.00 0.00 H new ATOM 0 HH21 ARG A 13 12.403 -9.758 7.587 1.00 0.00 H new ATOM 0 HH22 ARG A 13 12.241 -11.247 8.525 1.00 0.00 H new HETATM 273 N NH2 A 14 8.619 -2.938 10.995 1.00 0.00 N TER 276 NH2 A 14