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+ 156:sc= -0.599 (180deg=-1.54!) USER MOD Single : A 5 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD ----------------------------------------------------------------- ATOM 1 N ILE A 1 -19.557 -0.735 0.970 1.00 0.00 N ATOM 2 CA ILE A 1 -18.942 -0.278 2.251 1.00 0.00 C ATOM 3 C ILE A 1 -17.440 -0.050 2.066 1.00 0.00 C ATOM 4 O ILE A 1 -16.854 -0.471 1.089 1.00 0.00 O ATOM 5 CB ILE A 1 -19.190 -1.415 3.245 1.00 0.00 C ATOM 6 CG1 ILE A 1 -18.913 -2.759 2.566 1.00 0.00 C ATOM 7 CG2 ILE A 1 -20.644 -1.373 3.716 1.00 0.00 C ATOM 8 CD1 ILE A 1 -18.680 -3.832 3.632 1.00 0.00 C ATOM 0 H1 ILE A 1 -20.431 -1.261 1.173 1.00 0.00 H new ATOM 0 H2 ILE A 1 -19.780 0.090 0.378 1.00 0.00 H new ATOM 0 H3 ILE A 1 -18.890 -1.353 0.466 1.00 0.00 H new ATOM 0 HA ILE A 1 -19.368 0.664 2.596 1.00 0.00 H new ATOM 0 HB ILE A 1 -18.526 -1.298 4.102 1.00 0.00 H new ATOM 0 HG12 ILE A 1 -19.754 -3.038 1.932 1.00 0.00 H new ATOM 0 HG13 ILE A 1 -18.039 -2.678 1.919 1.00 0.00 H new ATOM 0 HG21 ILE A 1 -20.821 -2.183 4.424 1.00 0.00 H new ATOM 0 HG22 ILE A 1 -20.842 -0.417 4.201 1.00 0.00 H new ATOM 0 HG23 ILE A 1 -21.308 -1.489 2.859 1.00 0.00 H new ATOM 0 HD11 ILE A 1 -18.483 -4.789 3.148 1.00 0.00 H new ATOM 0 HD12 ILE A 1 -17.825 -3.554 4.248 1.00 0.00 H new ATOM 0 HD13 ILE A 1 -19.566 -3.919 4.260 1.00 0.00 H new ATOM 22 N LEU A 2 -16.815 0.613 3.001 1.00 0.00 N ATOM 23 CA LEU A 2 -15.349 0.870 2.887 1.00 0.00 C ATOM 24 C LEU A 2 -14.628 -0.376 2.361 1.00 0.00 C ATOM 25 O LEU A 2 -14.882 -1.476 2.808 1.00 0.00 O ATOM 26 CB LEU A 2 -14.894 1.186 4.311 1.00 0.00 C ATOM 27 CG LEU A 2 -15.181 -0.014 5.215 1.00 0.00 C ATOM 28 CD1 LEU A 2 -13.862 -0.620 5.699 1.00 0.00 C ATOM 29 CD2 LEU A 2 -16.001 0.447 6.421 1.00 0.00 C ATOM 0 H LEU A 2 -17.256 0.989 3.840 1.00 0.00 H new ATOM 0 HA LEU A 2 -15.126 1.681 2.194 1.00 0.00 H new ATOM 0 HB2 LEU A 2 -13.829 1.416 4.321 1.00 0.00 H new ATOM 0 HB3 LEU A 2 -15.414 2.068 4.683 1.00 0.00 H new ATOM 0 HG LEU A 2 -15.740 -0.765 4.656 1.00 0.00 H new ATOM 0 HD11 LEU A 2 -14.069 -1.475 6.343 1.00 0.00 H new ATOM 0 HD12 LEU A 2 -13.275 -0.946 4.841 1.00 0.00 H new ATOM 0 HD13 LEU A 2 -13.301 0.129 6.259 1.00 0.00 H new ATOM 0 HD21 LEU A 2 -16.208 -0.406 7.068 1.00 0.00 H new ATOM 0 HD22 LEU A 2 -15.439 1.197 6.978 1.00 0.00 H new ATOM 0 HD23 LEU A 2 -16.941 0.879 6.078 1.00 0.00 H new ATOM 41 N PRO A 3 -13.743 -0.154 1.425 1.00 0.00 N ATOM 42 CA PRO A 3 -12.968 -1.269 0.830 1.00 0.00 C ATOM 43 C PRO A 3 -11.909 -1.767 1.817 1.00 0.00 C ATOM 44 O PRO A 3 -11.846 -1.326 2.948 1.00 0.00 O ATOM 45 CB PRO A 3 -12.315 -0.636 -0.396 1.00 0.00 C ATOM 46 CG PRO A 3 -12.241 0.826 -0.084 1.00 0.00 C ATOM 47 CD PRO A 3 -13.387 1.143 0.840 1.00 0.00 C ATOM 0 HA PRO A 3 -13.582 -2.134 0.580 1.00 0.00 H new ATOM 0 HB2 PRO A 3 -11.323 -1.052 -0.574 1.00 0.00 H new ATOM 0 HB3 PRO A 3 -12.904 -0.818 -1.295 1.00 0.00 H new ATOM 0 HG2 PRO A 3 -11.289 1.071 0.386 1.00 0.00 H new ATOM 0 HG3 PRO A 3 -12.308 1.418 -0.997 1.00 0.00 H new ATOM 0 HD2 PRO A 3 -13.094 1.860 1.607 1.00 0.00 H new ATOM 0 HD3 PRO A 3 -14.226 1.580 0.299 1.00 0.00 H new ATOM 55 N TRP A 4 -11.076 -2.682 1.401 1.00 0.00 N ATOM 56 CA TRP A 4 -10.022 -3.206 2.322 1.00 0.00 C ATOM 57 C TRP A 4 -9.143 -4.221 1.601 1.00 0.00 C ATOM 58 O TRP A 4 -8.830 -5.274 2.121 1.00 0.00 O ATOM 59 CB TRP A 4 -10.788 -3.877 3.455 1.00 0.00 C ATOM 60 CG TRP A 4 -9.832 -4.282 4.530 1.00 0.00 C ATOM 61 CD1 TRP A 4 -9.263 -5.504 4.642 1.00 0.00 C ATOM 62 CD2 TRP A 4 -9.325 -3.489 5.642 1.00 0.00 C ATOM 63 NE1 TRP A 4 -8.438 -5.512 5.753 1.00 0.00 N ATOM 64 CE2 TRP A 4 -8.442 -4.293 6.402 1.00 0.00 C ATOM 65 CE3 TRP A 4 -9.544 -2.164 6.060 1.00 0.00 C ATOM 66 CZ2 TRP A 4 -7.800 -3.799 7.539 1.00 0.00 C ATOM 67 CZ3 TRP A 4 -8.898 -1.664 7.203 1.00 0.00 C ATOM 68 CH2 TRP A 4 -8.027 -2.480 7.940 1.00 0.00 C ATOM 0 H TRP A 4 -11.078 -3.090 0.466 1.00 0.00 H new ATOM 0 HA TRP A 4 -9.363 -2.417 2.683 1.00 0.00 H new ATOM 0 HB2 TRP A 4 -11.536 -3.194 3.857 1.00 0.00 H new ATOM 0 HB3 TRP A 4 -11.322 -4.750 3.080 1.00 0.00 H new ATOM 0 HD1 TRP A 4 -9.426 -6.337 3.974 1.00 0.00 H new ATOM 0 HE1 TRP A 4 -7.893 -6.320 6.056 1.00 0.00 H new ATOM 0 HE3 TRP A 4 -10.212 -1.527 5.499 1.00 0.00 H new ATOM 0 HZ2 TRP A 4 -7.132 -4.432 8.105 1.00 0.00 H new ATOM 0 HZ3 TRP A 4 -9.073 -0.645 7.516 1.00 0.00 H new ATOM 0 HH2 TRP A 4 -7.532 -2.089 8.817 1.00 0.00 H new ATOM 79 N LYS A 5 -8.746 -3.910 0.409 1.00 0.00 N ATOM 80 CA LYS A 5 -7.890 -4.847 -0.364 1.00 0.00 C ATOM 81 C LYS A 5 -6.762 -4.095 -1.061 1.00 0.00 C ATOM 82 O LYS A 5 -6.122 -4.598 -1.965 1.00 0.00 O ATOM 83 CB LYS A 5 -8.831 -5.456 -1.386 1.00 0.00 C ATOM 84 CG LYS A 5 -9.184 -6.877 -0.959 1.00 0.00 C ATOM 85 CD LYS A 5 -10.688 -7.104 -1.120 1.00 0.00 C ATOM 86 CE LYS A 5 -10.951 -7.913 -2.392 1.00 0.00 C ATOM 87 NZ LYS A 5 -12.146 -8.747 -2.079 1.00 0.00 N ATOM 0 H LYS A 5 -8.977 -3.040 -0.071 1.00 0.00 H new ATOM 0 HA LYS A 5 -7.416 -5.597 0.270 1.00 0.00 H new ATOM 0 HB2 LYS A 5 -9.735 -4.853 -1.470 1.00 0.00 H new ATOM 0 HB3 LYS A 5 -8.362 -5.465 -2.370 1.00 0.00 H new ATOM 0 HG2 LYS A 5 -8.631 -7.597 -1.563 1.00 0.00 H new ATOM 0 HG3 LYS A 5 -8.891 -7.039 0.078 1.00 0.00 H new ATOM 0 HD2 LYS A 5 -11.081 -7.634 -0.252 1.00 0.00 H new ATOM 0 HD3 LYS A 5 -11.207 -6.147 -1.172 1.00 0.00 H new ATOM 0 HE2 LYS A 5 -11.138 -7.259 -3.244 1.00 0.00 H new ATOM 0 HE3 LYS A 5 -10.093 -8.534 -2.649 1.00 0.00 H new ATOM 0 HZ1 LYS A 5 -12.388 -9.331 -2.905 1.00 0.00 H new ATOM 0 HZ2 LYS A 5 -11.936 -9.364 -1.269 1.00 0.00 H new ATOM 0 HZ3 LYS A 5 -12.949 -8.129 -1.845 1.00 0.00 H new ATOM 101 N TRP A 6 -6.520 -2.893 -0.649 1.00 0.00 N ATOM 102 CA TRP A 6 -5.449 -2.081 -1.265 1.00 0.00 C ATOM 103 C TRP A 6 -4.071 -2.710 -0.995 1.00 0.00 C ATOM 104 O TRP A 6 -3.878 -3.369 0.008 1.00 0.00 O ATOM 105 CB TRP A 6 -5.591 -0.735 -0.580 1.00 0.00 C ATOM 106 CG TRP A 6 -4.518 0.150 -1.045 1.00 0.00 C ATOM 107 CD1 TRP A 6 -3.281 0.151 -0.561 1.00 0.00 C ATOM 108 CD2 TRP A 6 -4.572 1.143 -2.077 1.00 0.00 C ATOM 109 NE1 TRP A 6 -2.542 1.116 -1.234 1.00 0.00 N ATOM 110 CE2 TRP A 6 -3.310 1.759 -2.187 1.00 0.00 C ATOM 111 CE3 TRP A 6 -5.602 1.559 -2.913 1.00 0.00 C ATOM 112 CZ2 TRP A 6 -3.078 2.774 -3.116 1.00 0.00 C ATOM 113 CZ3 TRP A 6 -5.385 2.577 -3.854 1.00 0.00 C ATOM 114 CH2 TRP A 6 -4.121 3.187 -3.956 1.00 0.00 C ATOM 0 H TRP A 6 -7.029 -2.429 0.104 1.00 0.00 H new ATOM 0 HA TRP A 6 -5.530 -2.008 -2.350 1.00 0.00 H new ATOM 0 HB2 TRP A 6 -6.564 -0.298 -0.805 1.00 0.00 H new ATOM 0 HB3 TRP A 6 -5.538 -0.855 0.502 1.00 0.00 H new ATOM 0 HD1 TRP A 6 -2.911 -0.491 0.225 1.00 0.00 H new ATOM 0 HE1 TRP A 6 -1.561 1.323 -1.049 1.00 0.00 H new ATOM 0 HE3 TRP A 6 -6.575 1.096 -2.838 1.00 0.00 H new ATOM 0 HZ2 TRP A 6 -2.105 3.237 -3.187 1.00 0.00 H new ATOM 0 HZ3 TRP A 6 -6.190 2.893 -4.501 1.00 0.00 H new ATOM 0 HH2 TRP A 6 -3.955 3.971 -4.680 1.00 0.00 H new ATOM 125 N PRO A 7 -3.167 -2.511 -1.923 1.00 0.00 N ATOM 126 CA PRO A 7 -1.807 -3.091 -1.816 1.00 0.00 C ATOM 127 C PRO A 7 -0.800 -2.160 -1.115 1.00 0.00 C ATOM 128 O PRO A 7 -1.160 -1.180 -0.513 1.00 0.00 O ATOM 129 CB PRO A 7 -1.424 -3.294 -3.281 1.00 0.00 C ATOM 130 CG PRO A 7 -2.242 -2.297 -4.065 1.00 0.00 C ATOM 131 CD PRO A 7 -3.322 -1.746 -3.157 1.00 0.00 C ATOM 0 HA PRO A 7 -1.793 -3.998 -1.211 1.00 0.00 H new ATOM 0 HB2 PRO A 7 -0.357 -3.129 -3.432 1.00 0.00 H new ATOM 0 HB3 PRO A 7 -1.637 -4.313 -3.603 1.00 0.00 H new ATOM 0 HG2 PRO A 7 -1.607 -1.491 -4.432 1.00 0.00 H new ATOM 0 HG3 PRO A 7 -2.687 -2.774 -4.938 1.00 0.00 H new ATOM 0 HD2 PRO A 7 -3.192 -0.678 -2.984 1.00 0.00 H new ATOM 0 HD3 PRO A 7 -4.314 -1.880 -3.589 1.00 0.00 H new ATOM 139 N TRP A 8 0.473 -2.479 -1.211 1.00 0.00 N ATOM 140 CA TRP A 8 1.539 -1.653 -0.582 1.00 0.00 C ATOM 141 C TRP A 8 1.031 -0.912 0.655 1.00 0.00 C ATOM 142 O TRP A 8 0.656 0.241 0.591 1.00 0.00 O ATOM 143 CB TRP A 8 1.957 -0.680 -1.672 1.00 0.00 C ATOM 144 CG TRP A 8 2.054 -1.411 -2.971 1.00 0.00 C ATOM 145 CD1 TRP A 8 1.158 -1.324 -3.972 1.00 0.00 C ATOM 146 CD2 TRP A 8 3.071 -2.350 -3.409 1.00 0.00 C ATOM 147 NE1 TRP A 8 1.573 -2.133 -5.016 1.00 0.00 N ATOM 148 CE2 TRP A 8 2.749 -2.789 -4.714 1.00 0.00 C ATOM 149 CE3 TRP A 8 4.233 -2.851 -2.808 1.00 0.00 C ATOM 150 CZ2 TRP A 8 3.559 -3.696 -5.400 1.00 0.00 C ATOM 151 CZ3 TRP A 8 5.051 -3.765 -3.491 1.00 0.00 C ATOM 152 CH2 TRP A 8 4.716 -4.186 -4.785 1.00 0.00 C ATOM 0 H TRP A 8 0.817 -3.298 -1.712 1.00 0.00 H new ATOM 0 HA TRP A 8 2.369 -2.264 -0.227 1.00 0.00 H new ATOM 0 HB2 TRP A 8 1.232 0.131 -1.750 1.00 0.00 H new ATOM 0 HB3 TRP A 8 2.917 -0.227 -1.423 1.00 0.00 H new ATOM 0 HD1 TRP A 8 0.262 -0.721 -3.962 1.00 0.00 H new ATOM 0 HE1 TRP A 8 1.072 -2.232 -5.899 1.00 0.00 H new ATOM 0 HE3 TRP A 8 4.502 -2.532 -1.812 1.00 0.00 H new ATOM 0 HZ2 TRP A 8 3.295 -4.017 -6.397 1.00 0.00 H new ATOM 0 HZ3 TRP A 8 5.943 -4.146 -3.017 1.00 0.00 H new ATOM 0 HH2 TRP A 8 5.350 -4.888 -5.307 1.00 0.00 H new ATOM 163 N TRP A 9 1.021 -1.569 1.780 1.00 0.00 N ATOM 164 CA TRP A 9 0.544 -0.904 3.022 1.00 0.00 C ATOM 165 C TRP A 9 1.120 0.514 3.107 1.00 0.00 C ATOM 166 O TRP A 9 2.189 0.779 2.594 1.00 0.00 O ATOM 167 CB TRP A 9 1.045 -1.792 4.162 1.00 0.00 C ATOM 168 CG TRP A 9 1.151 -0.996 5.416 1.00 0.00 C ATOM 169 CD1 TRP A 9 2.168 -0.169 5.710 1.00 0.00 C ATOM 170 CD2 TRP A 9 0.228 -0.931 6.534 1.00 0.00 C ATOM 171 NE1 TRP A 9 1.944 0.395 6.954 1.00 0.00 N ATOM 172 CE2 TRP A 9 0.755 -0.046 7.502 1.00 0.00 C ATOM 173 CE3 TRP A 9 -0.999 -1.553 6.799 1.00 0.00 C ATOM 174 CZ2 TRP A 9 0.082 0.213 8.697 1.00 0.00 C ATOM 175 CZ3 TRP A 9 -1.683 -1.298 7.998 1.00 0.00 C ATOM 176 CH2 TRP A 9 -1.142 -0.416 8.947 1.00 0.00 C ATOM 0 H TRP A 9 1.322 -2.537 1.893 1.00 0.00 H new ATOM 0 HA TRP A 9 -0.540 -0.795 3.058 1.00 0.00 H new ATOM 0 HB2 TRP A 9 0.363 -2.629 4.309 1.00 0.00 H new ATOM 0 HB3 TRP A 9 2.017 -2.214 3.906 1.00 0.00 H new ATOM 0 HD1 TRP A 9 3.022 0.024 5.078 1.00 0.00 H new ATOM 0 HE1 TRP A 9 2.577 1.053 7.409 1.00 0.00 H new ATOM 0 HE3 TRP A 9 -1.422 -2.234 6.075 1.00 0.00 H new ATOM 0 HZ2 TRP A 9 0.503 0.893 9.423 1.00 0.00 H new ATOM 0 HZ3 TRP A 9 -2.629 -1.782 8.191 1.00 0.00 H new ATOM 0 HH2 TRP A 9 -1.670 -0.223 9.869 1.00 0.00 H new ATOM 187 N PRO A 10 0.380 1.384 3.742 1.00 0.00 N ATOM 188 CA PRO A 10 0.800 2.788 3.884 1.00 0.00 C ATOM 189 C PRO A 10 1.575 2.991 5.189 1.00 0.00 C ATOM 190 O PRO A 10 1.012 2.978 6.266 1.00 0.00 O ATOM 191 CB PRO A 10 -0.530 3.533 3.914 1.00 0.00 C ATOM 192 CG PRO A 10 -1.551 2.533 4.397 1.00 0.00 C ATOM 193 CD PRO A 10 -0.912 1.160 4.387 1.00 0.00 C ATOM 0 HA PRO A 10 1.466 3.128 3.091 1.00 0.00 H new ATOM 0 HB2 PRO A 10 -0.481 4.394 4.580 1.00 0.00 H new ATOM 0 HB3 PRO A 10 -0.789 3.910 2.925 1.00 0.00 H new ATOM 0 HG2 PRO A 10 -1.887 2.788 5.402 1.00 0.00 H new ATOM 0 HG3 PRO A 10 -2.431 2.547 3.754 1.00 0.00 H new ATOM 0 HD2 PRO A 10 -0.793 0.766 5.396 1.00 0.00 H new ATOM 0 HD3 PRO A 10 -1.516 0.441 3.834 1.00 0.00 H new ATOM 201 N TRP A 11 2.862 3.183 5.102 1.00 0.00 N ATOM 202 CA TRP A 11 3.671 3.392 6.324 1.00 0.00 C ATOM 203 C TRP A 11 3.998 4.875 6.481 1.00 0.00 C ATOM 204 O TRP A 11 3.513 5.713 5.747 1.00 0.00 O ATOM 205 CB TRP A 11 4.933 2.581 6.085 1.00 0.00 C ATOM 206 CG TRP A 11 5.541 3.009 4.805 1.00 0.00 C ATOM 207 CD1 TRP A 11 6.203 4.161 4.605 1.00 0.00 C ATOM 208 CD2 TRP A 11 5.526 2.312 3.546 1.00 0.00 C ATOM 209 NE1 TRP A 11 6.622 4.207 3.283 1.00 0.00 N ATOM 210 CE2 TRP A 11 6.222 3.078 2.588 1.00 0.00 C ATOM 211 CE3 TRP A 11 4.980 1.088 3.161 1.00 0.00 C ATOM 212 CZ2 TRP A 11 6.371 2.635 1.273 1.00 0.00 C ATOM 213 CZ3 TRP A 11 5.122 0.632 1.841 1.00 0.00 C ATOM 214 CH2 TRP A 11 5.818 1.404 0.897 1.00 0.00 C ATOM 0 H TRP A 11 3.387 3.203 4.228 1.00 0.00 H new ATOM 0 HA TRP A 11 3.155 3.086 7.234 1.00 0.00 H new ATOM 0 HB2 TRP A 11 5.637 2.728 6.904 1.00 0.00 H new ATOM 0 HB3 TRP A 11 4.698 1.517 6.054 1.00 0.00 H new ATOM 0 HD1 TRP A 11 6.380 4.924 5.349 1.00 0.00 H new ATOM 0 HE1 TRP A 11 7.156 4.974 2.875 1.00 0.00 H new ATOM 0 HE3 TRP A 11 4.445 0.488 3.882 1.00 0.00 H new ATOM 0 HZ2 TRP A 11 6.907 3.235 0.553 1.00 0.00 H new ATOM 0 HZ3 TRP A 11 4.694 -0.316 1.550 1.00 0.00 H new ATOM 0 HH2 TRP A 11 5.927 1.049 -0.117 1.00 0.00 H new ATOM 225 N ARG A 12 4.813 5.200 7.434 1.00 0.00 N ATOM 226 CA ARG A 12 5.179 6.623 7.657 1.00 0.00 C ATOM 227 C ARG A 12 6.589 6.720 8.248 1.00 0.00 C ATOM 228 O ARG A 12 6.764 6.996 9.419 1.00 0.00 O ATOM 229 CB ARG A 12 4.145 7.129 8.655 1.00 0.00 C ATOM 230 CG ARG A 12 3.547 8.438 8.146 1.00 0.00 C ATOM 231 CD ARG A 12 3.512 9.461 9.283 1.00 0.00 C ATOM 232 NE ARG A 12 4.940 9.684 9.642 1.00 0.00 N ATOM 233 CZ ARG A 12 5.562 10.745 9.210 1.00 0.00 C ATOM 234 NH1 ARG A 12 4.965 11.906 9.229 1.00 0.00 N ATOM 235 NH2 ARG A 12 6.784 10.648 8.759 1.00 0.00 N ATOM 0 H ARG A 12 5.247 4.537 8.076 1.00 0.00 H new ATOM 0 HA ARG A 12 5.184 7.205 6.735 1.00 0.00 H new ATOM 0 HB2 ARG A 12 3.359 6.386 8.790 1.00 0.00 H new ATOM 0 HB3 ARG A 12 4.609 7.283 9.629 1.00 0.00 H new ATOM 0 HG2 ARG A 12 4.140 8.822 7.316 1.00 0.00 H new ATOM 0 HG3 ARG A 12 2.540 8.266 7.766 1.00 0.00 H new ATOM 0 HD2 ARG A 12 3.035 10.388 8.966 1.00 0.00 H new ATOM 0 HD3 ARG A 12 2.944 9.086 10.135 1.00 0.00 H new ATOM 0 HE ARG A 12 5.431 9.007 10.226 1.00 0.00 H new ATOM 0 HH11 ARG A 12 4.011 11.983 9.582 1.00 0.00 H new ATOM 0 HH12 ARG A 12 5.452 12.736 8.891 1.00 0.00 H new ATOM 0 HH21 ARG A 12 7.252 9.742 8.745 1.00 0.00 H new ATOM 0 HH22 ARG A 12 7.270 11.478 8.421 1.00 0.00 H new ATOM 249 N ARG A 13 7.596 6.496 7.450 1.00 0.00 N ATOM 250 CA ARG A 13 8.991 6.577 7.973 1.00 0.00 C ATOM 251 C ARG A 13 9.817 7.556 7.135 1.00 0.00 C ATOM 252 O ARG A 13 11.030 7.484 7.107 1.00 0.00 O ATOM 253 CB ARG A 13 9.545 5.157 7.842 1.00 0.00 C ATOM 254 CG ARG A 13 8.899 4.257 8.896 1.00 0.00 C ATOM 255 CD ARG A 13 9.799 3.046 9.156 1.00 0.00 C ATOM 256 NE ARG A 13 9.126 2.295 10.251 1.00 0.00 N ATOM 257 CZ ARG A 13 9.637 1.173 10.682 1.00 0.00 C ATOM 258 NH1 ARG A 13 9.978 0.244 9.832 1.00 0.00 N ATOM 259 NH2 ARG A 13 9.809 0.984 11.962 1.00 0.00 N ATOM 0 H ARG A 13 7.515 6.261 6.461 1.00 0.00 H new ATOM 0 HA ARG A 13 9.026 6.936 9.002 1.00 0.00 H new ATOM 0 HB2 ARG A 13 9.344 4.768 6.844 1.00 0.00 H new ATOM 0 HB3 ARG A 13 10.628 5.165 7.969 1.00 0.00 H new ATOM 0 HG2 ARG A 13 8.745 4.814 9.820 1.00 0.00 H new ATOM 0 HG3 ARG A 13 7.917 3.927 8.556 1.00 0.00 H new ATOM 0 HD2 ARG A 13 9.903 2.432 8.262 1.00 0.00 H new ATOM 0 HD3 ARG A 13 10.803 3.355 9.448 1.00 0.00 H new ATOM 0 HE ARG A 13 8.266 2.656 10.664 1.00 0.00 H new ATOM 0 HH11 ARG A 13 9.845 0.394 8.832 1.00 0.00 H new ATOM 0 HH12 ARG A 13 10.377 -0.633 10.168 1.00 0.00 H new ATOM 0 HH21 ARG A 13 9.544 1.712 12.625 1.00 0.00 H new ATOM 0 HH22 ARG A 13 10.208 0.108 12.299 1.00 0.00 H new HETATM 273 N NH2 A 14 9.206 8.481 6.448 1.00 0.00 N TER 276 NH2 A 14