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+ 154:sc= -0.787 (180deg=-1.91!) USER MOD Single : A 5 LYS NZ :NH3+ -144:sc= -0.388 (180deg=-2.51!) USER MOD ----------------------------------------------------------------- ATOM 1 N ILE A 1 -18.854 -0.442 -0.688 1.00 0.00 N ATOM 2 CA ILE A 1 -18.404 0.446 0.424 1.00 0.00 C ATOM 3 C ILE A 1 -16.877 0.449 0.518 1.00 0.00 C ATOM 4 O ILE A 1 -16.215 -0.446 0.029 1.00 0.00 O ATOM 5 CB ILE A 1 -19.010 -0.159 1.691 1.00 0.00 C ATOM 6 CG1 ILE A 1 -18.834 -1.682 1.665 1.00 0.00 C ATOM 7 CG2 ILE A 1 -20.500 0.178 1.759 1.00 0.00 C ATOM 8 CD1 ILE A 1 -19.276 -2.273 3.003 1.00 0.00 C ATOM 0 H1 ILE A 1 -19.814 -0.788 -0.489 1.00 0.00 H new ATOM 0 H2 ILE A 1 -18.857 0.093 -1.580 1.00 0.00 H new ATOM 0 H3 ILE A 1 -18.205 -1.250 -0.771 1.00 0.00 H new ATOM 0 HA ILE A 1 -18.718 1.479 0.273 1.00 0.00 H new ATOM 0 HB ILE A 1 -18.505 0.252 2.565 1.00 0.00 H new ATOM 0 HG12 ILE A 1 -19.422 -2.112 0.854 1.00 0.00 H new ATOM 0 HG13 ILE A 1 -17.791 -1.934 1.471 1.00 0.00 H new ATOM 0 HG21 ILE A 1 -20.930 -0.254 2.663 1.00 0.00 H new ATOM 0 HG22 ILE A 1 -20.628 1.260 1.778 1.00 0.00 H new ATOM 0 HG23 ILE A 1 -21.006 -0.232 0.885 1.00 0.00 H new ATOM 0 HD11 ILE A 1 -19.150 -3.355 2.982 1.00 0.00 H new ATOM 0 HD12 ILE A 1 -18.669 -1.852 3.805 1.00 0.00 H new ATOM 0 HD13 ILE A 1 -20.325 -2.033 3.178 1.00 0.00 H new ATOM 22 N LEU A 2 -16.316 1.447 1.145 1.00 0.00 N ATOM 23 CA LEU A 2 -14.833 1.510 1.279 1.00 0.00 C ATOM 24 C LEU A 2 -14.269 0.120 1.589 1.00 0.00 C ATOM 25 O LEU A 2 -14.390 -0.366 2.696 1.00 0.00 O ATOM 26 CB LEU A 2 -14.585 2.462 2.451 1.00 0.00 C ATOM 27 CG LEU A 2 -15.162 1.856 3.733 1.00 0.00 C ATOM 28 CD1 LEU A 2 -14.023 1.320 4.603 1.00 0.00 C ATOM 29 CD2 LEU A 2 -15.929 2.931 4.505 1.00 0.00 C ATOM 0 H LEU A 2 -16.822 2.223 1.571 1.00 0.00 H new ATOM 0 HA LEU A 2 -14.349 1.851 0.364 1.00 0.00 H new ATOM 0 HB2 LEU A 2 -13.516 2.639 2.569 1.00 0.00 H new ATOM 0 HB3 LEU A 2 -15.048 3.428 2.253 1.00 0.00 H new ATOM 0 HG LEU A 2 -15.838 1.040 3.476 1.00 0.00 H new ATOM 0 HD11 LEU A 2 -14.434 0.889 5.516 1.00 0.00 H new ATOM 0 HD12 LEU A 2 -13.476 0.554 4.054 1.00 0.00 H new ATOM 0 HD13 LEU A 2 -13.347 2.135 4.860 1.00 0.00 H new ATOM 0 HD21 LEU A 2 -16.340 2.500 5.418 1.00 0.00 H new ATOM 0 HD22 LEU A 2 -15.253 3.747 4.761 1.00 0.00 H new ATOM 0 HD23 LEU A 2 -16.741 3.313 3.887 1.00 0.00 H new ATOM 41 N PRO A 3 -13.673 -0.476 0.594 1.00 0.00 N ATOM 42 CA PRO A 3 -13.087 -1.828 0.758 1.00 0.00 C ATOM 43 C PRO A 3 -11.806 -1.758 1.594 1.00 0.00 C ATOM 44 O PRO A 3 -11.397 -0.705 2.040 1.00 0.00 O ATOM 45 CB PRO A 3 -12.775 -2.259 -0.672 1.00 0.00 C ATOM 46 CG PRO A 3 -12.612 -0.982 -1.432 1.00 0.00 C ATOM 47 CD PRO A 3 -13.490 0.045 -0.764 1.00 0.00 C ATOM 0 HA PRO A 3 -13.751 -2.522 1.274 1.00 0.00 H new ATOM 0 HB2 PRO A 3 -11.868 -2.862 -0.714 1.00 0.00 H new ATOM 0 HB3 PRO A 3 -13.580 -2.865 -1.086 1.00 0.00 H new ATOM 0 HG2 PRO A 3 -11.570 -0.661 -1.427 1.00 0.00 H new ATOM 0 HG3 PRO A 3 -12.899 -1.115 -2.475 1.00 0.00 H new ATOM 0 HD2 PRO A 3 -13.019 1.028 -0.755 1.00 0.00 H new ATOM 0 HD3 PRO A 3 -14.443 0.153 -1.282 1.00 0.00 H new ATOM 55 N TRP A 4 -11.172 -2.876 1.806 1.00 0.00 N ATOM 56 CA TRP A 4 -9.913 -2.885 2.610 1.00 0.00 C ATOM 57 C TRP A 4 -8.933 -3.904 2.044 1.00 0.00 C ATOM 58 O TRP A 4 -8.430 -4.760 2.745 1.00 0.00 O ATOM 59 CB TRP A 4 -10.311 -3.286 4.026 1.00 0.00 C ATOM 60 CG TRP A 4 -11.472 -4.224 3.991 1.00 0.00 C ATOM 61 CD1 TRP A 4 -11.385 -5.571 3.991 1.00 0.00 C ATOM 62 CD2 TRP A 4 -12.885 -3.899 3.938 1.00 0.00 C ATOM 63 NE1 TRP A 4 -12.666 -6.097 3.954 1.00 0.00 N ATOM 64 CE2 TRP A 4 -13.625 -5.103 3.920 1.00 0.00 C ATOM 65 CE3 TRP A 4 -13.588 -2.685 3.909 1.00 0.00 C ATOM 66 CZ2 TRP A 4 -15.020 -5.102 3.876 1.00 0.00 C ATOM 67 CZ3 TRP A 4 -14.991 -2.677 3.863 1.00 0.00 C ATOM 68 CH2 TRP A 4 -15.707 -3.883 3.846 1.00 0.00 C ATOM 0 H TRP A 4 -11.470 -3.787 1.458 1.00 0.00 H new ATOM 0 HA TRP A 4 -9.428 -1.909 2.590 1.00 0.00 H new ATOM 0 HB2 TRP A 4 -9.467 -3.759 4.528 1.00 0.00 H new ATOM 0 HB3 TRP A 4 -10.569 -2.398 4.604 1.00 0.00 H new ATOM 0 HD1 TRP A 4 -10.469 -6.143 4.016 1.00 0.00 H new ATOM 0 HE1 TRP A 4 -12.875 -7.095 3.952 1.00 0.00 H new ATOM 0 HE3 TRP A 4 -13.046 -1.751 3.922 1.00 0.00 H new ATOM 0 HZ2 TRP A 4 -15.565 -6.034 3.865 1.00 0.00 H new ATOM 0 HZ3 TRP A 4 -15.522 -1.737 3.841 1.00 0.00 H new ATOM 0 HH2 TRP A 4 -16.786 -3.871 3.810 1.00 0.00 H new ATOM 79 N LYS A 5 -8.664 -3.821 0.780 1.00 0.00 N ATOM 80 CA LYS A 5 -7.720 -4.788 0.155 1.00 0.00 C ATOM 81 C LYS A 5 -6.654 -4.048 -0.649 1.00 0.00 C ATOM 82 O LYS A 5 -5.948 -4.624 -1.454 1.00 0.00 O ATOM 83 CB LYS A 5 -8.585 -5.635 -0.767 1.00 0.00 C ATOM 84 CG LYS A 5 -8.840 -7.006 -0.132 1.00 0.00 C ATOM 85 CD LYS A 5 -7.516 -7.757 0.034 1.00 0.00 C ATOM 86 CE LYS A 5 -7.120 -8.396 -1.300 1.00 0.00 C ATOM 87 NZ LYS A 5 -8.276 -9.255 -1.673 1.00 0.00 N ATOM 0 H LYS A 5 -9.056 -3.125 0.146 1.00 0.00 H new ATOM 0 HA LYS A 5 -7.195 -5.389 0.897 1.00 0.00 H new ATOM 0 HB2 LYS A 5 -9.533 -5.130 -0.956 1.00 0.00 H new ATOM 0 HB3 LYS A 5 -8.092 -5.758 -1.731 1.00 0.00 H new ATOM 0 HG2 LYS A 5 -9.323 -6.883 0.838 1.00 0.00 H new ATOM 0 HG3 LYS A 5 -9.521 -7.585 -0.756 1.00 0.00 H new ATOM 0 HD2 LYS A 5 -6.736 -7.072 0.367 1.00 0.00 H new ATOM 0 HD3 LYS A 5 -7.615 -8.524 0.802 1.00 0.00 H new ATOM 0 HE2 LYS A 5 -6.930 -7.638 -2.060 1.00 0.00 H new ATOM 0 HE3 LYS A 5 -6.207 -8.984 -1.201 1.00 0.00 H new ATOM 0 HZ1 LYS A 5 -7.931 -10.118 -2.140 1.00 0.00 H new ATOM 0 HZ2 LYS A 5 -8.807 -9.513 -0.817 1.00 0.00 H new ATOM 0 HZ3 LYS A 5 -8.899 -8.735 -2.324 1.00 0.00 H new ATOM 101 N TRP A 6 -6.537 -2.780 -0.428 1.00 0.00 N ATOM 102 CA TRP A 6 -5.531 -1.972 -1.151 1.00 0.00 C ATOM 103 C TRP A 6 -4.137 -2.606 -0.995 1.00 0.00 C ATOM 104 O TRP A 6 -3.868 -3.271 -0.014 1.00 0.00 O ATOM 105 CB TRP A 6 -5.619 -0.622 -0.464 1.00 0.00 C ATOM 106 CG TRP A 6 -4.545 0.243 -0.962 1.00 0.00 C ATOM 107 CD1 TRP A 6 -3.290 0.205 -0.534 1.00 0.00 C ATOM 108 CD2 TRP A 6 -4.620 1.259 -1.972 1.00 0.00 C ATOM 109 NE1 TRP A 6 -2.555 1.161 -1.220 1.00 0.00 N ATOM 110 CE2 TRP A 6 -3.346 1.843 -2.127 1.00 0.00 C ATOM 111 CE3 TRP A 6 -5.673 1.717 -2.753 1.00 0.00 C ATOM 112 CZ2 TRP A 6 -3.128 2.869 -3.046 1.00 0.00 C ATOM 113 CZ3 TRP A 6 -5.470 2.749 -3.684 1.00 0.00 C ATOM 114 CH2 TRP A 6 -4.196 3.327 -3.829 1.00 0.00 C ATOM 0 H TRP A 6 -7.107 -2.257 0.237 1.00 0.00 H new ATOM 0 HA TRP A 6 -5.703 -1.902 -2.225 1.00 0.00 H new ATOM 0 HB2 TRP A 6 -6.589 -0.165 -0.657 1.00 0.00 H new ATOM 0 HB3 TRP A 6 -5.533 -0.744 0.616 1.00 0.00 H new ATOM 0 HD1 TRP A 6 -2.904 -0.461 0.224 1.00 0.00 H new ATOM 0 HE1 TRP A 6 -1.561 1.338 -1.075 1.00 0.00 H new ATOM 0 HE3 TRP A 6 -6.653 1.277 -2.644 1.00 0.00 H new ATOM 0 HZ2 TRP A 6 -2.146 3.306 -3.153 1.00 0.00 H new ATOM 0 HZ3 TRP A 6 -6.293 3.099 -4.289 1.00 0.00 H new ATOM 0 HH2 TRP A 6 -4.041 4.123 -4.543 1.00 0.00 H new ATOM 125 N PRO A 7 -3.308 -2.409 -1.991 1.00 0.00 N ATOM 126 CA PRO A 7 -1.947 -3.001 -1.992 1.00 0.00 C ATOM 127 C PRO A 7 -0.888 -2.096 -1.337 1.00 0.00 C ATOM 128 O PRO A 7 -1.203 -1.134 -0.682 1.00 0.00 O ATOM 129 CB PRO A 7 -1.670 -3.183 -3.483 1.00 0.00 C ATOM 130 CG PRO A 7 -2.537 -2.172 -4.192 1.00 0.00 C ATOM 131 CD PRO A 7 -3.551 -1.635 -3.205 1.00 0.00 C ATOM 0 HA PRO A 7 -1.896 -3.921 -1.409 1.00 0.00 H new ATOM 0 HB2 PRO A 7 -0.616 -3.019 -3.707 1.00 0.00 H new ATOM 0 HB3 PRO A 7 -1.910 -4.197 -3.804 1.00 0.00 H new ATOM 0 HG2 PRO A 7 -1.927 -1.360 -4.588 1.00 0.00 H new ATOM 0 HG3 PRO A 7 -3.042 -2.634 -5.040 1.00 0.00 H new ATOM 0 HD2 PRO A 7 -3.413 -0.568 -3.032 1.00 0.00 H new ATOM 0 HD3 PRO A 7 -4.570 -1.770 -3.567 1.00 0.00 H new ATOM 139 N TRP A 8 0.376 -2.417 -1.526 1.00 0.00 N ATOM 140 CA TRP A 8 1.484 -1.614 -0.936 1.00 0.00 C ATOM 141 C TRP A 8 1.039 -0.920 0.353 1.00 0.00 C ATOM 142 O TRP A 8 0.638 0.227 0.349 1.00 0.00 O ATOM 143 CB TRP A 8 1.852 -0.604 -2.016 1.00 0.00 C ATOM 144 CG TRP A 8 1.731 -1.247 -3.360 1.00 0.00 C ATOM 145 CD1 TRP A 8 0.696 -1.078 -4.199 1.00 0.00 C ATOM 146 CD2 TRP A 8 2.642 -2.175 -4.014 1.00 0.00 C ATOM 147 NE1 TRP A 8 0.918 -1.819 -5.346 1.00 0.00 N ATOM 148 CE2 TRP A 8 2.108 -2.516 -5.277 1.00 0.00 C ATOM 149 CE3 TRP A 8 3.870 -2.739 -3.639 1.00 0.00 C ATOM 150 CZ2 TRP A 8 2.771 -3.389 -6.140 1.00 0.00 C ATOM 151 CZ3 TRP A 8 4.542 -3.620 -4.502 1.00 0.00 C ATOM 152 CH2 TRP A 8 3.994 -3.943 -5.752 1.00 0.00 C ATOM 0 H TRP A 8 0.684 -3.219 -2.076 1.00 0.00 H new ATOM 0 HA TRP A 8 2.335 -2.234 -0.654 1.00 0.00 H new ATOM 0 HB2 TRP A 8 1.196 0.264 -1.956 1.00 0.00 H new ATOM 0 HB3 TRP A 8 2.870 -0.246 -1.863 1.00 0.00 H new ATOM 0 HD1 TRP A 8 -0.171 -0.462 -4.009 1.00 0.00 H new ATOM 0 HE1 TRP A 8 0.282 -1.847 -6.143 1.00 0.00 H new ATOM 0 HE3 TRP A 8 4.302 -2.494 -2.680 1.00 0.00 H new ATOM 0 HZ2 TRP A 8 2.342 -3.635 -7.100 1.00 0.00 H new ATOM 0 HZ3 TRP A 8 5.486 -4.051 -4.202 1.00 0.00 H new ATOM 0 HH2 TRP A 8 4.516 -4.619 -6.413 1.00 0.00 H new ATOM 163 N TRP A 9 1.094 -1.619 1.452 1.00 0.00 N ATOM 164 CA TRP A 9 0.661 -1.021 2.743 1.00 0.00 C ATOM 165 C TRP A 9 1.239 0.388 2.918 1.00 0.00 C ATOM 166 O TRP A 9 2.347 0.665 2.503 1.00 0.00 O ATOM 167 CB TRP A 9 1.188 -1.963 3.818 1.00 0.00 C ATOM 168 CG TRP A 9 1.118 -1.275 5.135 1.00 0.00 C ATOM 169 CD1 TRP A 9 2.067 -0.456 5.622 1.00 0.00 C ATOM 170 CD2 TRP A 9 0.058 -1.312 6.121 1.00 0.00 C ATOM 171 NE1 TRP A 9 1.668 0.001 6.865 1.00 0.00 N ATOM 172 CE2 TRP A 9 0.428 -0.501 7.217 1.00 0.00 C ATOM 173 CE3 TRP A 9 -1.176 -1.973 6.167 1.00 0.00 C ATOM 174 CZ2 TRP A 9 -0.402 -0.353 8.328 1.00 0.00 C ATOM 175 CZ3 TRP A 9 -2.019 -1.828 7.281 1.00 0.00 C ATOM 176 CH2 TRP A 9 -1.631 -1.020 8.361 1.00 0.00 C ATOM 0 H TRP A 9 1.422 -2.583 1.511 1.00 0.00 H new ATOM 0 HA TRP A 9 -0.422 -0.913 2.795 1.00 0.00 H new ATOM 0 HB2 TRP A 9 0.598 -2.879 3.839 1.00 0.00 H new ATOM 0 HB3 TRP A 9 2.216 -2.251 3.597 1.00 0.00 H new ATOM 0 HD1 TRP A 9 2.990 -0.197 5.124 1.00 0.00 H new ATOM 0 HE1 TRP A 9 2.219 0.630 7.449 1.00 0.00 H new ATOM 0 HE3 TRP A 9 -1.481 -2.598 5.341 1.00 0.00 H new ATOM 0 HZ2 TRP A 9 -0.098 0.271 9.156 1.00 0.00 H new ATOM 0 HZ3 TRP A 9 -2.969 -2.340 7.307 1.00 0.00 H new ATOM 0 HH2 TRP A 9 -2.281 -0.913 9.217 1.00 0.00 H new ATOM 187 N PRO A 10 0.453 1.237 3.535 1.00 0.00 N ATOM 188 CA PRO A 10 0.863 2.632 3.783 1.00 0.00 C ATOM 189 C PRO A 10 1.467 2.773 5.185 1.00 0.00 C ATOM 190 O PRO A 10 0.800 2.559 6.177 1.00 0.00 O ATOM 191 CB PRO A 10 -0.463 3.382 3.703 1.00 0.00 C ATOM 192 CG PRO A 10 -1.527 2.370 4.045 1.00 0.00 C ATOM 193 CD PRO A 10 -0.890 0.996 4.059 1.00 0.00 C ATOM 0 HA PRO A 10 1.619 2.995 3.087 1.00 0.00 H new ATOM 0 HB2 PRO A 10 -0.481 4.220 4.400 1.00 0.00 H new ATOM 0 HB3 PRO A 10 -0.620 3.793 2.706 1.00 0.00 H new ATOM 0 HG2 PRO A 10 -1.966 2.595 5.017 1.00 0.00 H new ATOM 0 HG3 PRO A 10 -2.335 2.407 3.314 1.00 0.00 H new ATOM 0 HD2 PRO A 10 -0.859 0.578 5.065 1.00 0.00 H new ATOM 0 HD3 PRO A 10 -1.443 0.291 3.438 1.00 0.00 H new ATOM 201 N TRP A 11 2.717 3.133 5.281 1.00 0.00 N ATOM 202 CA TRP A 11 3.343 3.291 6.611 1.00 0.00 C ATOM 203 C TRP A 11 3.593 4.772 6.895 1.00 0.00 C ATOM 204 O TRP A 11 3.172 5.635 6.150 1.00 0.00 O ATOM 205 CB TRP A 11 4.650 2.523 6.501 1.00 0.00 C ATOM 206 CG TRP A 11 5.421 3.052 5.356 1.00 0.00 C ATOM 207 CD1 TRP A 11 6.115 4.203 5.351 1.00 0.00 C ATOM 208 CD2 TRP A 11 5.572 2.467 4.049 1.00 0.00 C ATOM 209 NE1 TRP A 11 6.706 4.357 4.105 1.00 0.00 N ATOM 210 CE2 TRP A 11 6.395 3.303 3.265 1.00 0.00 C ATOM 211 CE3 TRP A 11 5.075 1.294 3.488 1.00 0.00 C ATOM 212 CZ2 TRP A 11 6.716 2.976 1.947 1.00 0.00 C ATOM 213 CZ3 TRP A 11 5.389 0.953 2.162 1.00 0.00 C ATOM 214 CH2 TRP A 11 6.210 1.794 1.392 1.00 0.00 C ATOM 0 H TRP A 11 3.330 3.324 4.488 1.00 0.00 H new ATOM 0 HA TRP A 11 2.721 2.921 7.426 1.00 0.00 H new ATOM 0 HB2 TRP A 11 5.225 2.624 7.421 1.00 0.00 H new ATOM 0 HB3 TRP A 11 4.452 1.460 6.363 1.00 0.00 H new ATOM 0 HD1 TRP A 11 6.199 4.892 6.178 1.00 0.00 H new ATOM 0 HE1 TRP A 11 7.295 5.147 3.842 1.00 0.00 H new ATOM 0 HE3 TRP A 11 4.445 0.643 4.075 1.00 0.00 H new ATOM 0 HZ2 TRP A 11 7.348 3.627 1.361 1.00 0.00 H new ATOM 0 HZ3 TRP A 11 4.998 0.042 1.733 1.00 0.00 H new ATOM 0 HH2 TRP A 11 6.451 1.529 0.373 1.00 0.00 H new ATOM 225 N ARG A 12 4.278 5.060 7.962 1.00 0.00 N ATOM 226 CA ARG A 12 4.577 6.473 8.327 1.00 0.00 C ATOM 227 C ARG A 12 3.415 7.395 7.946 1.00 0.00 C ATOM 228 O ARG A 12 3.607 8.441 7.358 1.00 0.00 O ATOM 229 CB ARG A 12 5.826 6.817 7.524 1.00 0.00 C ATOM 230 CG ARG A 12 6.235 8.255 7.824 1.00 0.00 C ATOM 231 CD ARG A 12 6.507 8.997 6.513 1.00 0.00 C ATOM 232 NE ARG A 12 7.903 9.499 6.639 1.00 0.00 N ATOM 233 CZ ARG A 12 8.832 9.056 5.835 1.00 0.00 C ATOM 234 NH1 ARG A 12 8.585 8.934 4.560 1.00 0.00 N ATOM 235 NH2 ARG A 12 10.005 8.737 6.307 1.00 0.00 N ATOM 0 H ARG A 12 4.651 4.365 8.609 1.00 0.00 H new ATOM 0 HA ARG A 12 4.724 6.600 9.400 1.00 0.00 H new ATOM 0 HB2 ARG A 12 6.637 6.135 7.780 1.00 0.00 H new ATOM 0 HB3 ARG A 12 5.632 6.696 6.458 1.00 0.00 H new ATOM 0 HG2 ARG A 12 5.446 8.759 8.382 1.00 0.00 H new ATOM 0 HG3 ARG A 12 7.126 8.267 8.452 1.00 0.00 H new ATOM 0 HD2 ARG A 12 6.402 8.334 5.655 1.00 0.00 H new ATOM 0 HD3 ARG A 12 5.804 9.817 6.370 1.00 0.00 H new ATOM 0 HE ARG A 12 8.134 10.189 7.354 1.00 0.00 H new ATOM 0 HH11 ARG A 12 7.667 9.184 4.192 1.00 0.00 H new ATOM 0 HH12 ARG A 12 9.310 8.588 3.931 1.00 0.00 H new ATOM 0 HH21 ARG A 12 10.197 8.833 7.304 1.00 0.00 H new ATOM 0 HH22 ARG A 12 10.731 8.391 5.679 1.00 0.00 H new ATOM 249 N ARG A 13 2.212 7.016 8.279 1.00 0.00 N ATOM 250 CA ARG A 13 1.039 7.870 7.937 1.00 0.00 C ATOM 251 C ARG A 13 1.272 9.305 8.418 1.00 0.00 C ATOM 252 O ARG A 13 2.333 9.632 8.914 1.00 0.00 O ATOM 253 CB ARG A 13 -0.141 7.240 8.678 1.00 0.00 C ATOM 254 CG ARG A 13 -0.951 6.376 7.709 1.00 0.00 C ATOM 255 CD ARG A 13 -1.729 5.317 8.494 1.00 0.00 C ATOM 256 NE ARG A 13 -3.020 5.970 8.847 1.00 0.00 N ATOM 257 CZ ARG A 13 -3.934 5.300 9.497 1.00 0.00 C ATOM 258 NH1 ARG A 13 -3.857 3.999 9.575 1.00 0.00 N ATOM 259 NH2 ARG A 13 -4.924 5.930 10.066 1.00 0.00 N ATOM 0 H ARG A 13 1.990 6.152 8.773 1.00 0.00 H new ATOM 0 HA ARG A 13 0.864 7.920 6.862 1.00 0.00 H new ATOM 0 HB2 ARG A 13 0.220 6.633 9.508 1.00 0.00 H new ATOM 0 HB3 ARG A 13 -0.774 8.019 9.104 1.00 0.00 H new ATOM 0 HG2 ARG A 13 -1.640 6.999 7.138 1.00 0.00 H new ATOM 0 HG3 ARG A 13 -0.286 5.896 6.991 1.00 0.00 H new ATOM 0 HD2 ARG A 13 -1.891 4.421 7.895 1.00 0.00 H new ATOM 0 HD3 ARG A 13 -1.185 5.009 9.387 1.00 0.00 H new ATOM 0 HE ARG A 13 -3.191 6.940 8.581 1.00 0.00 H new ATOM 0 HH11 ARG A 13 -3.084 3.506 9.129 1.00 0.00 H new ATOM 0 HH12 ARG A 13 -4.570 3.475 10.082 1.00 0.00 H new ATOM 0 HH21 ARG A 13 -4.985 6.946 10.004 1.00 0.00 H new ATOM 0 HH22 ARG A 13 -5.637 5.406 10.573 1.00 0.00 H new HETATM 273 N NH2 A 14 0.315 10.183 8.293 1.00 0.00 N TER 276 NH2 A 14