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= -1 (180deg=-2.3!) USER MOD Single : A 5 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD ----------------------------------------------------------------- ATOM 1 N ILE A 1 -19.529 -0.814 1.383 1.00 0.00 N ATOM 2 CA ILE A 1 -18.808 0.273 2.106 1.00 0.00 C ATOM 3 C ILE A 1 -17.320 0.254 1.746 1.00 0.00 C ATOM 4 O ILE A 1 -16.832 -0.676 1.134 1.00 0.00 O ATOM 5 CB ILE A 1 -19.002 -0.037 3.590 1.00 0.00 C ATOM 6 CG1 ILE A 1 -18.783 -1.532 3.834 1.00 0.00 C ATOM 7 CG2 ILE A 1 -20.423 0.343 4.010 1.00 0.00 C ATOM 8 CD1 ILE A 1 -18.963 -1.840 5.323 1.00 0.00 C ATOM 0 H1 ILE A 1 -20.403 -1.051 1.894 1.00 0.00 H new ATOM 0 H2 ILE A 1 -19.766 -0.494 0.422 1.00 0.00 H new ATOM 0 H3 ILE A 1 -18.922 -1.656 1.327 1.00 0.00 H new ATOM 0 HA ILE A 1 -19.186 1.261 1.843 1.00 0.00 H new ATOM 0 HB ILE A 1 -18.283 0.536 4.176 1.00 0.00 H new ATOM 0 HG12 ILE A 1 -19.490 -2.115 3.244 1.00 0.00 H new ATOM 0 HG13 ILE A 1 -17.783 -1.821 3.511 1.00 0.00 H new ATOM 0 HG21 ILE A 1 -20.561 0.122 5.068 1.00 0.00 H new ATOM 0 HG22 ILE A 1 -20.581 1.408 3.838 1.00 0.00 H new ATOM 0 HG23 ILE A 1 -21.141 -0.229 3.423 1.00 0.00 H new ATOM 0 HD11 ILE A 1 -18.807 -2.905 5.496 1.00 0.00 H new ATOM 0 HD12 ILE A 1 -18.239 -1.268 5.903 1.00 0.00 H new ATOM 0 HD13 ILE A 1 -19.972 -1.566 5.632 1.00 0.00 H new ATOM 22 N LEU A 2 -16.598 1.274 2.120 1.00 0.00 N ATOM 23 CA LEU A 2 -15.142 1.320 1.802 1.00 0.00 C ATOM 24 C LEU A 2 -14.503 -0.056 2.026 1.00 0.00 C ATOM 25 O LEU A 2 -14.471 -0.550 3.136 1.00 0.00 O ATOM 26 CB LEU A 2 -14.558 2.343 2.778 1.00 0.00 C ATOM 27 CG LEU A 2 -14.658 1.802 4.205 1.00 0.00 C ATOM 28 CD1 LEU A 2 -13.314 1.204 4.621 1.00 0.00 C ATOM 29 CD2 LEU A 2 -15.022 2.945 5.157 1.00 0.00 C ATOM 0 H LEU A 2 -16.954 2.080 2.634 1.00 0.00 H new ATOM 0 HA LEU A 2 -14.956 1.590 0.762 1.00 0.00 H new ATOM 0 HB2 LEU A 2 -13.517 2.547 2.527 1.00 0.00 H new ATOM 0 HB3 LEU A 2 -15.097 3.287 2.697 1.00 0.00 H new ATOM 0 HG LEU A 2 -15.427 1.031 4.248 1.00 0.00 H new ATOM 0 HD11 LEU A 2 -13.386 0.819 5.638 1.00 0.00 H new ATOM 0 HD12 LEU A 2 -13.052 0.392 3.943 1.00 0.00 H new ATOM 0 HD13 LEU A 2 -12.544 1.975 4.579 1.00 0.00 H new ATOM 0 HD21 LEU A 2 -15.094 2.562 6.175 1.00 0.00 H new ATOM 0 HD22 LEU A 2 -14.252 3.715 5.113 1.00 0.00 H new ATOM 0 HD23 LEU A 2 -15.980 3.373 4.862 1.00 0.00 H new ATOM 41 N PRO A 3 -14.015 -0.628 0.958 1.00 0.00 N ATOM 42 CA PRO A 3 -13.367 -1.959 1.037 1.00 0.00 C ATOM 43 C PRO A 3 -11.998 -1.847 1.713 1.00 0.00 C ATOM 44 O PRO A 3 -11.606 -0.793 2.174 1.00 0.00 O ATOM 45 CB PRO A 3 -13.219 -2.374 -0.424 1.00 0.00 C ATOM 46 CG PRO A 3 -13.199 -1.089 -1.190 1.00 0.00 C ATOM 47 CD PRO A 3 -14.020 -0.095 -0.409 1.00 0.00 C ATOM 0 HA PRO A 3 -13.938 -2.679 1.623 1.00 0.00 H new ATOM 0 HB2 PRO A 3 -12.302 -2.942 -0.582 1.00 0.00 H new ATOM 0 HB3 PRO A 3 -14.047 -3.009 -0.740 1.00 0.00 H new ATOM 0 HG2 PRO A 3 -12.177 -0.731 -1.315 1.00 0.00 H new ATOM 0 HG3 PRO A 3 -13.612 -1.229 -2.189 1.00 0.00 H new ATOM 0 HD2 PRO A 3 -13.584 0.903 -0.450 1.00 0.00 H new ATOM 0 HD3 PRO A 3 -15.033 -0.016 -0.803 1.00 0.00 H new ATOM 55 N TRP A 4 -11.264 -2.924 1.772 1.00 0.00 N ATOM 56 CA TRP A 4 -9.918 -2.875 2.416 1.00 0.00 C ATOM 57 C TRP A 4 -8.987 -3.898 1.777 1.00 0.00 C ATOM 58 O TRP A 4 -8.514 -4.815 2.417 1.00 0.00 O ATOM 59 CB TRP A 4 -10.136 -3.219 3.882 1.00 0.00 C ATOM 60 CG TRP A 4 -11.179 -4.276 4.007 1.00 0.00 C ATOM 61 CD1 TRP A 4 -10.937 -5.598 4.132 1.00 0.00 C ATOM 62 CD2 TRP A 4 -12.621 -4.117 4.011 1.00 0.00 C ATOM 63 NE1 TRP A 4 -12.147 -6.265 4.222 1.00 0.00 N ATOM 64 CE2 TRP A 4 -13.217 -5.392 4.151 1.00 0.00 C ATOM 65 CE3 TRP A 4 -13.460 -2.997 3.910 1.00 0.00 C ATOM 66 CZ2 TRP A 4 -14.602 -5.549 4.190 1.00 0.00 C ATOM 67 CZ3 TRP A 4 -14.854 -3.148 3.947 1.00 0.00 C ATOM 68 CH2 TRP A 4 -15.425 -4.422 4.087 1.00 0.00 C ATOM 0 H TRP A 4 -11.536 -3.835 1.403 1.00 0.00 H new ATOM 0 HA TRP A 4 -9.460 -1.893 2.297 1.00 0.00 H new ATOM 0 HB2 TRP A 4 -9.202 -3.564 4.326 1.00 0.00 H new ATOM 0 HB3 TRP A 4 -10.441 -2.329 4.432 1.00 0.00 H new ATOM 0 HD1 TRP A 4 -9.961 -6.059 4.158 1.00 0.00 H new ATOM 0 HE1 TRP A 4 -12.238 -7.275 4.328 1.00 0.00 H new ATOM 0 HE3 TRP A 4 -13.030 -2.012 3.803 1.00 0.00 H new ATOM 0 HZ2 TRP A 4 -15.036 -6.532 4.299 1.00 0.00 H new ATOM 0 HZ3 TRP A 4 -15.491 -2.279 3.867 1.00 0.00 H new ATOM 0 HH2 TRP A 4 -16.499 -4.533 4.115 1.00 0.00 H new ATOM 79 N LYS A 5 -8.724 -3.745 0.518 1.00 0.00 N ATOM 80 CA LYS A 5 -7.824 -4.707 -0.178 1.00 0.00 C ATOM 81 C LYS A 5 -6.706 -3.961 -0.901 1.00 0.00 C ATOM 82 O LYS A 5 -6.029 -4.497 -1.756 1.00 0.00 O ATOM 83 CB LYS A 5 -8.715 -5.426 -1.185 1.00 0.00 C ATOM 84 CG LYS A 5 -8.992 -6.856 -0.714 1.00 0.00 C ATOM 85 CD LYS A 5 -7.677 -7.542 -0.334 1.00 0.00 C ATOM 86 CE LYS A 5 -7.485 -8.792 -1.195 1.00 0.00 C ATOM 87 NZ LYS A 5 -7.091 -9.862 -0.236 1.00 0.00 N ATOM 0 H LYS A 5 -9.092 -2.994 -0.066 1.00 0.00 H new ATOM 0 HA LYS A 5 -7.349 -5.398 0.518 1.00 0.00 H new ATOM 0 HB2 LYS A 5 -9.654 -4.885 -1.303 1.00 0.00 H new ATOM 0 HB3 LYS A 5 -8.232 -5.444 -2.162 1.00 0.00 H new ATOM 0 HG2 LYS A 5 -9.666 -6.842 0.142 1.00 0.00 H new ATOM 0 HG3 LYS A 5 -9.491 -7.418 -1.503 1.00 0.00 H new ATOM 0 HD2 LYS A 5 -6.842 -6.856 -0.479 1.00 0.00 H new ATOM 0 HD3 LYS A 5 -7.688 -7.813 0.722 1.00 0.00 H new ATOM 0 HE2 LYS A 5 -8.402 -9.053 -1.723 1.00 0.00 H new ATOM 0 HE3 LYS A 5 -6.716 -8.636 -1.951 1.00 0.00 H new ATOM 0 HZ1 LYS A 5 -6.941 -10.753 -0.752 1.00 0.00 H new ATOM 0 HZ2 LYS A 5 -6.211 -9.589 0.246 1.00 0.00 H new ATOM 0 HZ3 LYS A 5 -7.846 -9.992 0.468 1.00 0.00 H new ATOM 101 N TRP A 6 -6.514 -2.729 -0.559 1.00 0.00 N ATOM 102 CA TRP A 6 -5.454 -1.920 -1.199 1.00 0.00 C ATOM 103 C TRP A 6 -4.083 -2.588 -1.000 1.00 0.00 C ATOM 104 O TRP A 6 -3.872 -3.287 -0.028 1.00 0.00 O ATOM 105 CB TRP A 6 -5.543 -0.593 -0.469 1.00 0.00 C ATOM 106 CG TRP A 6 -4.443 0.271 -0.907 1.00 0.00 C ATOM 107 CD1 TRP A 6 -3.202 0.205 -0.441 1.00 0.00 C ATOM 108 CD2 TRP A 6 -4.473 1.315 -1.891 1.00 0.00 C ATOM 109 NE1 TRP A 6 -2.434 1.170 -1.077 1.00 0.00 N ATOM 110 CE2 TRP A 6 -3.190 1.888 -1.989 1.00 0.00 C ATOM 111 CE3 TRP A 6 -5.496 1.808 -2.691 1.00 0.00 C ATOM 112 CZ2 TRP A 6 -2.929 2.937 -2.872 1.00 0.00 C ATOM 113 CZ3 TRP A 6 -5.252 2.862 -3.586 1.00 0.00 C ATOM 114 CH2 TRP A 6 -3.967 3.428 -3.676 1.00 0.00 C ATOM 0 H TRP A 6 -7.057 -2.238 0.151 1.00 0.00 H new ATOM 0 HA TRP A 6 -5.574 -1.810 -2.277 1.00 0.00 H new ATOM 0 HB2 TRP A 6 -6.501 -0.115 -0.674 1.00 0.00 H new ATOM 0 HB3 TRP A 6 -5.490 -0.752 0.608 1.00 0.00 H new ATOM 0 HD1 TRP A 6 -2.848 -0.486 0.310 1.00 0.00 H new ATOM 0 HE1 TRP A 6 -1.443 1.330 -0.897 1.00 0.00 H new ATOM 0 HE3 TRP A 6 -6.485 1.378 -2.624 1.00 0.00 H new ATOM 0 HZ2 TRP A 6 -1.939 3.365 -2.935 1.00 0.00 H new ATOM 0 HZ3 TRP A 6 -6.052 3.239 -4.206 1.00 0.00 H new ATOM 0 HH2 TRP A 6 -3.781 4.240 -4.364 1.00 0.00 H new ATOM 125 N PRO A 7 -3.205 -2.378 -1.951 1.00 0.00 N ATOM 126 CA PRO A 7 -1.859 -2.997 -1.908 1.00 0.00 C ATOM 127 C PRO A 7 -0.808 -2.126 -1.200 1.00 0.00 C ATOM 128 O PRO A 7 -1.121 -1.153 -0.560 1.00 0.00 O ATOM 129 CB PRO A 7 -1.525 -3.152 -3.391 1.00 0.00 C ATOM 130 CG PRO A 7 -2.342 -2.108 -4.110 1.00 0.00 C ATOM 131 CD PRO A 7 -3.378 -1.566 -3.150 1.00 0.00 C ATOM 0 HA PRO A 7 -1.853 -3.927 -1.340 1.00 0.00 H new ATOM 0 HB2 PRO A 7 -0.460 -3.005 -3.569 1.00 0.00 H new ATOM 0 HB3 PRO A 7 -1.772 -4.153 -3.744 1.00 0.00 H new ATOM 0 HG2 PRO A 7 -1.699 -1.304 -4.468 1.00 0.00 H new ATOM 0 HG3 PRO A 7 -2.826 -2.542 -4.985 1.00 0.00 H new ATOM 0 HD2 PRO A 7 -3.216 -0.508 -2.943 1.00 0.00 H new ATOM 0 HD3 PRO A 7 -4.386 -1.661 -3.555 1.00 0.00 H new ATOM 139 N TRP A 8 0.449 -2.489 -1.332 1.00 0.00 N ATOM 140 CA TRP A 8 1.558 -1.723 -0.697 1.00 0.00 C ATOM 141 C TRP A 8 1.095 -1.009 0.574 1.00 0.00 C ATOM 142 O TRP A 8 0.725 0.148 0.553 1.00 0.00 O ATOM 143 CB TRP A 8 2.001 -0.733 -1.765 1.00 0.00 C ATOM 144 CG TRP A 8 1.974 -1.403 -3.102 1.00 0.00 C ATOM 145 CD1 TRP A 8 1.017 -1.224 -4.031 1.00 0.00 C ATOM 146 CD2 TRP A 8 2.908 -2.369 -3.655 1.00 0.00 C ATOM 147 NE1 TRP A 8 1.315 -1.999 -5.137 1.00 0.00 N ATOM 148 CE2 TRP A 8 2.473 -2.726 -4.952 1.00 0.00 C ATOM 149 CE3 TRP A 8 4.082 -2.955 -3.164 1.00 0.00 C ATOM 150 CZ2 TRP A 8 3.184 -3.636 -5.737 1.00 0.00 C ATOM 151 CZ3 TRP A 8 4.801 -3.874 -3.947 1.00 0.00 C ATOM 152 CH2 TRP A 8 4.354 -4.213 -5.232 1.00 0.00 C ATOM 0 H TRP A 8 0.753 -3.303 -1.866 1.00 0.00 H new ATOM 0 HA TRP A 8 2.373 -2.373 -0.377 1.00 0.00 H new ATOM 0 HB2 TRP A 8 1.343 0.136 -1.767 1.00 0.00 H new ATOM 0 HB3 TRP A 8 3.006 -0.371 -1.547 1.00 0.00 H new ATOM 0 HD1 TRP A 8 0.156 -0.580 -3.929 1.00 0.00 H new ATOM 0 HE1 TRP A 8 0.749 -2.029 -5.985 1.00 0.00 H new ATOM 0 HE3 TRP A 8 4.437 -2.699 -2.177 1.00 0.00 H new ATOM 0 HZ2 TRP A 8 2.834 -3.892 -6.726 1.00 0.00 H new ATOM 0 HZ3 TRP A 8 5.703 -4.322 -3.557 1.00 0.00 H new ATOM 0 HH2 TRP A 8 4.912 -4.918 -5.831 1.00 0.00 H new ATOM 163 N TRP A 9 1.114 -1.702 1.680 1.00 0.00 N ATOM 164 CA TRP A 9 0.678 -1.085 2.964 1.00 0.00 C ATOM 165 C TRP A 9 1.180 0.361 3.061 1.00 0.00 C ATOM 166 O TRP A 9 2.206 0.701 2.506 1.00 0.00 O ATOM 167 CB TRP A 9 1.293 -1.969 4.051 1.00 0.00 C ATOM 168 CG TRP A 9 1.416 -1.195 5.318 1.00 0.00 C ATOM 169 CD1 TRP A 9 2.394 -0.310 5.581 1.00 0.00 C ATOM 170 CD2 TRP A 9 0.552 -1.212 6.484 1.00 0.00 C ATOM 171 NE1 TRP A 9 2.199 0.212 6.847 1.00 0.00 N ATOM 172 CE2 TRP A 9 1.071 -0.316 7.445 1.00 0.00 C ATOM 173 CE3 TRP A 9 -0.619 -1.917 6.795 1.00 0.00 C ATOM 174 CZ2 TRP A 9 0.448 -0.126 8.678 1.00 0.00 C ATOM 175 CZ3 TRP A 9 -1.253 -1.730 8.034 1.00 0.00 C ATOM 176 CH2 TRP A 9 -0.719 -0.836 8.975 1.00 0.00 C ATOM 0 H TRP A 9 1.415 -2.674 1.749 1.00 0.00 H new ATOM 0 HA TRP A 9 -0.407 -1.033 3.058 1.00 0.00 H new ATOM 0 HB2 TRP A 9 0.672 -2.850 4.211 1.00 0.00 H new ATOM 0 HB3 TRP A 9 2.274 -2.323 3.733 1.00 0.00 H new ATOM 0 HD1 TRP A 9 3.201 -0.049 4.912 1.00 0.00 H new ATOM 0 HE1 TRP A 9 2.811 0.901 7.284 1.00 0.00 H new ATOM 0 HE3 TRP A 9 -1.036 -2.608 6.077 1.00 0.00 H new ATOM 0 HZ2 TRP A 9 0.864 0.564 9.397 1.00 0.00 H new ATOM 0 HZ3 TRP A 9 -2.156 -2.277 8.264 1.00 0.00 H new ATOM 0 HH2 TRP A 9 -1.209 -0.697 9.927 1.00 0.00 H new ATOM 187 N PRO A 10 0.424 1.169 3.762 1.00 0.00 N ATOM 188 CA PRO A 10 0.771 2.590 3.936 1.00 0.00 C ATOM 189 C PRO A 10 1.579 2.795 5.222 1.00 0.00 C ATOM 190 O PRO A 10 1.105 2.538 6.311 1.00 0.00 O ATOM 191 CB PRO A 10 -0.600 3.254 4.043 1.00 0.00 C ATOM 192 CG PRO A 10 -1.539 2.182 4.534 1.00 0.00 C ATOM 193 CD PRO A 10 -0.821 0.851 4.461 1.00 0.00 C ATOM 0 HA PRO A 10 1.387 2.993 3.132 1.00 0.00 H new ATOM 0 HB2 PRO A 10 -0.573 4.097 4.734 1.00 0.00 H new ATOM 0 HB3 PRO A 10 -0.922 3.644 3.077 1.00 0.00 H new ATOM 0 HG2 PRO A 10 -1.850 2.390 5.558 1.00 0.00 H new ATOM 0 HG3 PRO A 10 -2.442 2.160 3.924 1.00 0.00 H new ATOM 0 HD2 PRO A 10 -0.630 0.443 5.454 1.00 0.00 H new ATOM 0 HD3 PRO A 10 -1.407 0.109 3.919 1.00 0.00 H new ATOM 201 N TRP A 11 2.793 3.255 5.105 1.00 0.00 N ATOM 202 CA TRP A 11 3.631 3.479 6.303 1.00 0.00 C ATOM 203 C TRP A 11 3.846 4.979 6.511 1.00 0.00 C ATOM 204 O TRP A 11 3.188 5.800 5.904 1.00 0.00 O ATOM 205 CB TRP A 11 4.937 2.773 5.970 1.00 0.00 C ATOM 206 CG TRP A 11 5.470 3.340 4.713 1.00 0.00 C ATOM 207 CD1 TRP A 11 6.095 4.524 4.598 1.00 0.00 C ATOM 208 CD2 TRP A 11 5.419 2.766 3.394 1.00 0.00 C ATOM 209 NE1 TRP A 11 6.450 4.712 3.270 1.00 0.00 N ATOM 210 CE2 TRP A 11 6.049 3.644 2.486 1.00 0.00 C ATOM 211 CE3 TRP A 11 4.891 1.569 2.914 1.00 0.00 C ATOM 212 CZ2 TRP A 11 6.149 3.336 1.129 1.00 0.00 C ATOM 213 CZ3 TRP A 11 4.984 1.246 1.552 1.00 0.00 C ATOM 214 CH2 TRP A 11 5.614 2.130 0.658 1.00 0.00 C ATOM 0 H TRP A 11 3.240 3.486 4.218 1.00 0.00 H new ATOM 0 HA TRP A 11 3.185 3.102 7.224 1.00 0.00 H new ATOM 0 HB2 TRP A 11 5.655 2.904 6.779 1.00 0.00 H new ATOM 0 HB3 TRP A 11 4.771 1.701 5.862 1.00 0.00 H new ATOM 0 HD1 TRP A 11 6.289 5.215 5.405 1.00 0.00 H new ATOM 0 HE1 TRP A 11 6.943 5.532 2.917 1.00 0.00 H new ATOM 0 HE3 TRP A 11 4.407 0.885 3.595 1.00 0.00 H new ATOM 0 HZ2 TRP A 11 6.634 4.020 0.449 1.00 0.00 H new ATOM 0 HZ3 TRP A 11 4.571 0.316 1.189 1.00 0.00 H new ATOM 0 HH2 TRP A 11 5.685 1.880 -0.390 1.00 0.00 H new ATOM 225 N ARG A 12 4.754 5.343 7.364 1.00 0.00 N ATOM 226 CA ARG A 12 5.021 6.777 7.624 1.00 0.00 C ATOM 227 C ARG A 12 5.698 7.430 6.415 1.00 0.00 C ATOM 228 O ARG A 12 6.743 8.041 6.531 1.00 0.00 O ATOM 229 CB ARG A 12 5.960 6.751 8.825 1.00 0.00 C ATOM 230 CG ARG A 12 7.342 6.257 8.390 1.00 0.00 C ATOM 231 CD ARG A 12 8.084 5.686 9.600 1.00 0.00 C ATOM 232 NE ARG A 12 9.513 5.633 9.184 1.00 0.00 N ATOM 233 CZ ARG A 12 10.034 4.505 8.783 1.00 0.00 C ATOM 234 NH1 ARG A 12 9.882 4.118 7.547 1.00 0.00 N ATOM 235 NH2 ARG A 12 10.705 3.763 9.622 1.00 0.00 N ATOM 0 H ARG A 12 5.332 4.696 7.901 1.00 0.00 H new ATOM 0 HA ARG A 12 4.115 7.354 7.807 1.00 0.00 H new ATOM 0 HB2 ARG A 12 6.040 7.748 9.258 1.00 0.00 H new ATOM 0 HB3 ARG A 12 5.557 6.098 9.599 1.00 0.00 H new ATOM 0 HG2 ARG A 12 7.241 5.494 7.619 1.00 0.00 H new ATOM 0 HG3 ARG A 12 7.912 7.077 7.954 1.00 0.00 H new ATOM 0 HD2 ARG A 12 7.952 6.317 10.479 1.00 0.00 H new ATOM 0 HD3 ARG A 12 7.711 4.695 9.860 1.00 0.00 H new ATOM 0 HE ARG A 12 10.084 6.477 9.212 1.00 0.00 H new ATOM 0 HH11 ARG A 12 9.356 4.697 6.892 1.00 0.00 H new ATOM 0 HH12 ARG A 12 10.289 3.237 7.235 1.00 0.00 H new ATOM 0 HH21 ARG A 12 10.822 4.065 10.589 1.00 0.00 H new ATOM 0 HH22 ARG A 12 11.113 2.882 9.310 1.00 0.00 H new ATOM 249 N ARG A 13 5.112 7.310 5.257 1.00 0.00 N ATOM 250 CA ARG A 13 5.723 7.927 4.044 1.00 0.00 C ATOM 251 C ARG A 13 6.029 9.403 4.302 1.00 0.00 C ATOM 252 O ARG A 13 6.972 9.949 3.765 1.00 0.00 O ATOM 253 CB ARG A 13 4.665 7.779 2.949 1.00 0.00 C ATOM 254 CG ARG A 13 5.004 8.709 1.783 1.00 0.00 C ATOM 255 CD ARG A 13 4.026 9.885 1.765 1.00 0.00 C ATOM 256 NE ARG A 13 2.763 9.328 1.207 1.00 0.00 N ATOM 257 CZ ARG A 13 2.333 9.727 0.041 1.00 0.00 C ATOM 258 NH1 ARG A 13 3.154 9.779 -0.973 1.00 0.00 N ATOM 259 NH2 ARG A 13 1.084 10.074 -0.111 1.00 0.00 N ATOM 0 H ARG A 13 4.237 6.812 5.097 1.00 0.00 H new ATOM 0 HA ARG A 13 6.664 7.452 3.766 1.00 0.00 H new ATOM 0 HB2 ARG A 13 4.625 6.746 2.604 1.00 0.00 H new ATOM 0 HB3 ARG A 13 3.679 8.021 3.346 1.00 0.00 H new ATOM 0 HG2 ARG A 13 6.026 9.074 1.881 1.00 0.00 H new ATOM 0 HG3 ARG A 13 4.950 8.163 0.841 1.00 0.00 H new ATOM 0 HD2 ARG A 13 3.872 10.285 2.767 1.00 0.00 H new ATOM 0 HD3 ARG A 13 4.403 10.702 1.150 1.00 0.00 H new ATOM 0 HE ARG A 13 2.234 8.635 1.736 1.00 0.00 H new ATOM 0 HH11 ARG A 13 4.130 9.508 -0.853 1.00 0.00 H new ATOM 0 HH12 ARG A 13 2.819 10.091 -1.885 1.00 0.00 H new ATOM 0 HH21 ARG A 13 0.443 10.033 0.682 1.00 0.00 H new ATOM 0 HH22 ARG A 13 0.749 10.386 -1.022 1.00 0.00 H new HETATM 273 N NH2 A 14 5.262 10.082 5.112 1.00 0.00 N TER 276 NH2 A 14