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+ -176:sc= -0.595 (180deg=-0.652) USER MOD Single : A 5 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD ----------------------------------------------------------------- ATOM 1 N ILE A 1 -18.705 0.976 2.112 1.00 0.00 N ATOM 2 CA ILE A 1 -17.734 2.068 2.411 1.00 0.00 C ATOM 3 C ILE A 1 -16.522 1.512 3.153 1.00 0.00 C ATOM 4 O ILE A 1 -15.709 2.241 3.684 1.00 0.00 O ATOM 5 CB ILE A 1 -18.499 3.039 3.300 1.00 0.00 C ATOM 6 CG1 ILE A 1 -19.614 3.706 2.493 1.00 0.00 C ATOM 7 CG2 ILE A 1 -17.543 4.108 3.835 1.00 0.00 C ATOM 8 CD1 ILE A 1 -19.053 4.203 1.159 1.00 0.00 C ATOM 0 H1 ILE A 1 -19.492 1.356 1.548 1.00 0.00 H new ATOM 0 H2 ILE A 1 -18.227 0.223 1.576 1.00 0.00 H new ATOM 0 H3 ILE A 1 -19.074 0.586 3.003 1.00 0.00 H new ATOM 0 HA ILE A 1 -17.360 2.546 1.505 1.00 0.00 H new ATOM 0 HB ILE A 1 -18.936 2.494 4.137 1.00 0.00 H new ATOM 0 HG12 ILE A 1 -20.424 2.998 2.318 1.00 0.00 H new ATOM 0 HG13 ILE A 1 -20.036 4.539 3.055 1.00 0.00 H new ATOM 0 HG21 ILE A 1 -18.092 4.802 4.471 1.00 0.00 H new ATOM 0 HG22 ILE A 1 -16.753 3.632 4.415 1.00 0.00 H new ATOM 0 HG23 ILE A 1 -17.102 4.653 3.000 1.00 0.00 H new ATOM 0 HD11 ILE A 1 -19.848 4.678 0.584 1.00 0.00 H new ATOM 0 HD12 ILE A 1 -18.258 4.925 1.345 1.00 0.00 H new ATOM 0 HD13 ILE A 1 -18.653 3.360 0.596 1.00 0.00 H new ATOM 22 N LEU A 2 -16.408 0.227 3.182 1.00 0.00 N ATOM 23 CA LEU A 2 -15.258 -0.416 3.880 1.00 0.00 C ATOM 24 C LEU A 2 -14.295 -1.027 2.856 1.00 0.00 C ATOM 25 O LEU A 2 -14.674 -1.889 2.089 1.00 0.00 O ATOM 26 CB LEU A 2 -15.881 -1.512 4.747 1.00 0.00 C ATOM 27 CG LEU A 2 -16.944 -0.901 5.660 1.00 0.00 C ATOM 28 CD1 LEU A 2 -17.870 -2.004 6.175 1.00 0.00 C ATOM 29 CD2 LEU A 2 -16.261 -0.216 6.847 1.00 0.00 C ATOM 0 H LEU A 2 -17.066 -0.422 2.749 1.00 0.00 H new ATOM 0 HA LEU A 2 -14.685 0.296 4.473 1.00 0.00 H new ATOM 0 HB2 LEU A 2 -16.328 -2.280 4.115 1.00 0.00 H new ATOM 0 HB3 LEU A 2 -15.110 -1.999 5.344 1.00 0.00 H new ATOM 0 HG LEU A 2 -17.527 -0.169 5.101 1.00 0.00 H new ATOM 0 HD11 LEU A 2 -18.628 -1.568 6.826 1.00 0.00 H new ATOM 0 HD12 LEU A 2 -18.355 -2.495 5.331 1.00 0.00 H new ATOM 0 HD13 LEU A 2 -17.288 -2.736 6.735 1.00 0.00 H new ATOM 0 HD21 LEU A 2 -17.017 0.221 7.500 1.00 0.00 H new ATOM 0 HD22 LEU A 2 -15.680 -0.950 7.405 1.00 0.00 H new ATOM 0 HD23 LEU A 2 -15.599 0.570 6.482 1.00 0.00 H new ATOM 41 N PRO A 3 -13.078 -0.555 2.879 1.00 0.00 N ATOM 42 CA PRO A 3 -12.051 -1.061 1.937 1.00 0.00 C ATOM 43 C PRO A 3 -11.608 -2.470 2.335 1.00 0.00 C ATOM 44 O PRO A 3 -11.788 -2.894 3.460 1.00 0.00 O ATOM 45 CB PRO A 3 -10.902 -0.069 2.092 1.00 0.00 C ATOM 46 CG PRO A 3 -11.072 0.509 3.461 1.00 0.00 C ATOM 47 CD PRO A 3 -12.547 0.483 3.772 1.00 0.00 C ATOM 0 HA PRO A 3 -12.411 -1.133 0.911 1.00 0.00 H new ATOM 0 HB2 PRO A 3 -9.936 -0.564 1.990 1.00 0.00 H new ATOM 0 HB3 PRO A 3 -10.945 0.707 1.328 1.00 0.00 H new ATOM 0 HG2 PRO A 3 -10.513 -0.070 4.196 1.00 0.00 H new ATOM 0 HG3 PRO A 3 -10.688 1.528 3.499 1.00 0.00 H new ATOM 0 HD2 PRO A 3 -12.730 0.241 4.819 1.00 0.00 H new ATOM 0 HD3 PRO A 3 -13.013 1.450 3.582 1.00 0.00 H new ATOM 55 N TRP A 4 -11.034 -3.202 1.421 1.00 0.00 N ATOM 56 CA TRP A 4 -10.583 -4.579 1.741 1.00 0.00 C ATOM 57 C TRP A 4 -9.073 -4.608 1.958 1.00 0.00 C ATOM 58 O TRP A 4 -8.585 -4.448 3.059 1.00 0.00 O ATOM 59 CB TRP A 4 -10.981 -5.398 0.515 1.00 0.00 C ATOM 60 CG TRP A 4 -12.359 -5.929 0.702 1.00 0.00 C ATOM 61 CD1 TRP A 4 -12.683 -7.120 1.252 1.00 0.00 C ATOM 62 CD2 TRP A 4 -13.602 -5.295 0.336 1.00 0.00 C ATOM 63 NE1 TRP A 4 -14.063 -7.248 1.248 1.00 0.00 N ATOM 64 CE2 TRP A 4 -14.673 -6.142 0.689 1.00 0.00 C ATOM 65 CE3 TRP A 4 -13.885 -4.069 -0.263 1.00 0.00 C ATOM 66 CZ2 TRP A 4 -15.997 -5.776 0.448 1.00 0.00 C ATOM 67 CZ3 TRP A 4 -15.215 -3.689 -0.511 1.00 0.00 C ATOM 68 CH2 TRP A 4 -16.271 -4.542 -0.155 1.00 0.00 C ATOM 0 H TRP A 4 -10.858 -2.901 0.462 1.00 0.00 H new ATOM 0 HA TRP A 4 -11.027 -4.969 2.657 1.00 0.00 H new ATOM 0 HB2 TRP A 4 -10.937 -4.778 -0.380 1.00 0.00 H new ATOM 0 HB3 TRP A 4 -10.279 -6.219 0.369 1.00 0.00 H new ATOM 0 HD1 TRP A 4 -11.983 -7.850 1.631 1.00 0.00 H new ATOM 0 HE1 TRP A 4 -14.565 -8.058 1.612 1.00 0.00 H new ATOM 0 HE3 TRP A 4 -13.077 -3.407 -0.538 1.00 0.00 H new ATOM 0 HZ2 TRP A 4 -16.804 -6.438 0.724 1.00 0.00 H new ATOM 0 HZ3 TRP A 4 -15.425 -2.738 -0.977 1.00 0.00 H new ATOM 0 HH2 TRP A 4 -17.292 -4.248 -0.346 1.00 0.00 H new ATOM 79 N LYS A 5 -8.334 -4.812 0.914 1.00 0.00 N ATOM 80 CA LYS A 5 -6.852 -4.857 1.035 1.00 0.00 C ATOM 81 C LYS A 5 -6.212 -3.912 0.015 1.00 0.00 C ATOM 82 O LYS A 5 -6.229 -4.163 -1.174 1.00 0.00 O ATOM 83 CB LYS A 5 -6.462 -6.312 0.743 1.00 0.00 C ATOM 84 CG LYS A 5 -7.425 -6.932 -0.277 1.00 0.00 C ATOM 85 CD LYS A 5 -6.778 -8.168 -0.907 1.00 0.00 C ATOM 86 CE LYS A 5 -7.308 -9.427 -0.216 1.00 0.00 C ATOM 87 NZ LYS A 5 -7.661 -10.355 -1.328 1.00 0.00 N ATOM 0 H LYS A 5 -8.693 -4.952 -0.030 1.00 0.00 H new ATOM 0 HA LYS A 5 -6.511 -4.541 2.021 1.00 0.00 H new ATOM 0 HB2 LYS A 5 -5.442 -6.351 0.360 1.00 0.00 H new ATOM 0 HB3 LYS A 5 -6.478 -6.891 1.666 1.00 0.00 H new ATOM 0 HG2 LYS A 5 -8.360 -7.207 0.211 1.00 0.00 H new ATOM 0 HG3 LYS A 5 -7.671 -6.204 -1.050 1.00 0.00 H new ATOM 0 HD2 LYS A 5 -7.000 -8.204 -1.974 1.00 0.00 H new ATOM 0 HD3 LYS A 5 -5.694 -8.115 -0.808 1.00 0.00 H new ATOM 0 HE2 LYS A 5 -6.555 -9.864 0.440 1.00 0.00 H new ATOM 0 HE3 LYS A 5 -8.177 -9.202 0.402 1.00 0.00 H new ATOM 0 HZ1 LYS A 5 -8.033 -11.243 -0.934 1.00 0.00 H new ATOM 0 HZ2 LYS A 5 -8.384 -9.914 -1.932 1.00 0.00 H new ATOM 0 HZ3 LYS A 5 -6.813 -10.556 -1.895 1.00 0.00 H new ATOM 101 N TRP A 6 -5.648 -2.827 0.470 1.00 0.00 N ATOM 102 CA TRP A 6 -5.009 -1.868 -0.471 1.00 0.00 C ATOM 103 C TRP A 6 -3.601 -2.338 -0.836 1.00 0.00 C ATOM 104 O TRP A 6 -2.887 -2.874 -0.009 1.00 0.00 O ATOM 105 CB TRP A 6 -4.958 -0.550 0.293 1.00 0.00 C ATOM 106 CG TRP A 6 -5.983 0.375 -0.260 1.00 0.00 C ATOM 107 CD1 TRP A 6 -7.308 0.297 -0.028 1.00 0.00 C ATOM 108 CD2 TRP A 6 -5.784 1.509 -1.133 1.00 0.00 C ATOM 109 NE1 TRP A 6 -7.941 1.324 -0.708 1.00 0.00 N ATOM 110 CE2 TRP A 6 -7.036 2.102 -1.407 1.00 0.00 C ATOM 111 CE3 TRP A 6 -4.641 2.067 -1.704 1.00 0.00 C ATOM 112 CZ2 TRP A 6 -7.146 3.224 -2.229 1.00 0.00 C ATOM 113 CZ3 TRP A 6 -4.738 3.198 -2.532 1.00 0.00 C ATOM 114 CH2 TRP A 6 -5.991 3.775 -2.795 1.00 0.00 C ATOM 0 H TRP A 6 -5.603 -2.564 1.454 1.00 0.00 H new ATOM 0 HA TRP A 6 -5.559 -1.777 -1.408 1.00 0.00 H new ATOM 0 HB2 TRP A 6 -5.141 -0.723 1.353 1.00 0.00 H new ATOM 0 HB3 TRP A 6 -3.966 -0.105 0.209 1.00 0.00 H new ATOM 0 HD1 TRP A 6 -7.796 -0.444 0.587 1.00 0.00 H new ATOM 0 HE1 TRP A 6 -8.948 1.486 -0.695 1.00 0.00 H new ATOM 0 HE3 TRP A 6 -3.674 1.627 -1.509 1.00 0.00 H new ATOM 0 HZ2 TRP A 6 -8.113 3.663 -2.426 1.00 0.00 H new ATOM 0 HZ3 TRP A 6 -3.847 3.625 -2.967 1.00 0.00 H new ATOM 0 HH2 TRP A 6 -6.063 4.643 -3.433 1.00 0.00 H new ATOM 125 N PRO A 7 -3.254 -2.123 -2.073 1.00 0.00 N ATOM 126 CA PRO A 7 -1.922 -2.528 -2.577 1.00 0.00 C ATOM 127 C PRO A 7 -0.850 -1.539 -2.110 1.00 0.00 C ATOM 128 O PRO A 7 -0.373 -0.721 -2.873 1.00 0.00 O ATOM 129 CB PRO A 7 -2.086 -2.484 -4.091 1.00 0.00 C ATOM 130 CG PRO A 7 -3.200 -1.514 -4.344 1.00 0.00 C ATOM 131 CD PRO A 7 -4.069 -1.484 -3.110 1.00 0.00 C ATOM 0 HA PRO A 7 -1.605 -3.507 -2.217 1.00 0.00 H new ATOM 0 HB2 PRO A 7 -1.165 -2.160 -4.576 1.00 0.00 H new ATOM 0 HB3 PRO A 7 -2.326 -3.470 -4.489 1.00 0.00 H new ATOM 0 HG2 PRO A 7 -2.803 -0.522 -4.556 1.00 0.00 H new ATOM 0 HG3 PRO A 7 -3.782 -1.818 -5.214 1.00 0.00 H new ATOM 0 HD2 PRO A 7 -4.333 -0.463 -2.835 1.00 0.00 H new ATOM 0 HD3 PRO A 7 -5.003 -2.023 -3.269 1.00 0.00 H new ATOM 139 N TRP A 8 -0.469 -1.605 -0.863 1.00 0.00 N ATOM 140 CA TRP A 8 0.570 -0.668 -0.349 1.00 0.00 C ATOM 141 C TRP A 8 1.555 -1.408 0.557 1.00 0.00 C ATOM 142 O TRP A 8 1.844 -0.972 1.655 1.00 0.00 O ATOM 143 CB TRP A 8 -0.198 0.367 0.466 1.00 0.00 C ATOM 144 CG TRP A 8 0.742 1.413 0.959 1.00 0.00 C ATOM 145 CD1 TRP A 8 1.780 1.950 0.276 1.00 0.00 C ATOM 146 CD2 TRP A 8 0.726 2.051 2.246 1.00 0.00 C ATOM 147 NE1 TRP A 8 2.406 2.883 1.088 1.00 0.00 N ATOM 148 CE2 TRP A 8 1.785 2.979 2.319 1.00 0.00 C ATOM 149 CE3 TRP A 8 -0.110 1.901 3.347 1.00 0.00 C ATOM 150 CZ2 TRP A 8 2.006 3.740 3.468 1.00 0.00 C ATOM 151 CZ3 TRP A 8 0.097 2.659 4.508 1.00 0.00 C ATOM 152 CH2 TRP A 8 1.158 3.578 4.570 1.00 0.00 C ATOM 0 H TRP A 8 -0.833 -2.268 -0.178 1.00 0.00 H new ATOM 0 HA TRP A 8 1.146 -0.219 -1.158 1.00 0.00 H new ATOM 0 HB2 TRP A 8 -0.976 0.823 -0.147 1.00 0.00 H new ATOM 0 HB3 TRP A 8 -0.696 -0.115 1.308 1.00 0.00 H new ATOM 0 HD1 TRP A 8 2.071 1.695 -0.732 1.00 0.00 H new ATOM 0 HE1 TRP A 8 3.222 3.430 0.812 1.00 0.00 H new ATOM 0 HE3 TRP A 8 -0.926 1.194 3.307 1.00 0.00 H new ATOM 0 HZ2 TRP A 8 2.822 4.446 3.506 1.00 0.00 H new ATOM 0 HZ3 TRP A 8 -0.560 2.536 5.356 1.00 0.00 H new ATOM 0 HH2 TRP A 8 1.319 4.158 5.466 1.00 0.00 H new ATOM 163 N TRP A 9 2.075 -2.520 0.115 1.00 0.00 N ATOM 164 CA TRP A 9 3.039 -3.283 0.955 1.00 0.00 C ATOM 165 C TRP A 9 4.018 -2.329 1.646 1.00 0.00 C ATOM 166 O TRP A 9 4.966 -1.869 1.041 1.00 0.00 O ATOM 167 CB TRP A 9 3.773 -4.188 -0.029 1.00 0.00 C ATOM 168 CG TRP A 9 3.312 -5.596 0.146 1.00 0.00 C ATOM 169 CD1 TRP A 9 4.050 -6.704 -0.090 1.00 0.00 C ATOM 170 CD2 TRP A 9 2.017 -6.055 0.596 1.00 0.00 C ATOM 171 NE1 TRP A 9 3.278 -7.820 0.189 1.00 0.00 N ATOM 172 CE2 TRP A 9 2.013 -7.467 0.617 1.00 0.00 C ATOM 173 CE3 TRP A 9 0.859 -5.378 0.982 1.00 0.00 C ATOM 174 CZ2 TRP A 9 0.883 -8.185 1.014 1.00 0.00 C ATOM 175 CZ3 TRP A 9 -0.282 -6.090 1.383 1.00 0.00 C ATOM 176 CH2 TRP A 9 -0.270 -7.492 1.398 1.00 0.00 C ATOM 0 H TRP A 9 1.873 -2.934 -0.795 1.00 0.00 H new ATOM 0 HA TRP A 9 2.546 -3.848 1.746 1.00 0.00 H new ATOM 0 HB2 TRP A 9 3.586 -3.858 -1.051 1.00 0.00 H new ATOM 0 HB3 TRP A 9 4.849 -4.124 0.135 1.00 0.00 H new ATOM 0 HD1 TRP A 9 5.072 -6.717 -0.438 1.00 0.00 H new ATOM 0 HE1 TRP A 9 3.603 -8.782 0.091 1.00 0.00 H new ATOM 0 HE3 TRP A 9 0.841 -4.298 0.972 1.00 0.00 H new ATOM 0 HZ2 TRP A 9 0.899 -9.265 1.024 1.00 0.00 H new ATOM 0 HZ3 TRP A 9 -1.172 -5.556 1.681 1.00 0.00 H new ATOM 0 HH2 TRP A 9 -1.150 -8.037 1.706 1.00 0.00 H new ATOM 187 N PRO A 10 3.754 -2.065 2.899 1.00 0.00 N ATOM 188 CA PRO A 10 4.626 -1.158 3.688 1.00 0.00 C ATOM 189 C PRO A 10 5.975 -1.823 3.975 1.00 0.00 C ATOM 190 O PRO A 10 6.288 -2.132 5.107 1.00 0.00 O ATOM 191 CB PRO A 10 3.843 -0.945 4.979 1.00 0.00 C ATOM 192 CG PRO A 10 2.966 -2.150 5.099 1.00 0.00 C ATOM 193 CD PRO A 10 2.634 -2.581 3.695 1.00 0.00 C ATOM 0 HA PRO A 10 4.852 -0.226 3.170 1.00 0.00 H new ATOM 0 HB2 PRO A 10 4.511 -0.855 5.836 1.00 0.00 H new ATOM 0 HB3 PRO A 10 3.253 -0.029 4.937 1.00 0.00 H new ATOM 0 HG2 PRO A 10 3.476 -2.948 5.639 1.00 0.00 H new ATOM 0 HG3 PRO A 10 2.060 -1.916 5.657 1.00 0.00 H new ATOM 0 HD2 PRO A 10 2.554 -3.665 3.617 1.00 0.00 H new ATOM 0 HD3 PRO A 10 1.682 -2.166 3.363 1.00 0.00 H new ATOM 201 N TRP A 11 6.755 -2.060 2.947 1.00 0.00 N ATOM 202 CA TRP A 11 8.098 -2.723 3.129 1.00 0.00 C ATOM 203 C TRP A 11 8.676 -2.434 4.512 1.00 0.00 C ATOM 204 O TRP A 11 8.926 -3.324 5.300 1.00 0.00 O ATOM 205 CB TRP A 11 9.046 -2.169 2.051 1.00 0.00 C ATOM 206 CG TRP A 11 8.405 -1.093 1.258 1.00 0.00 C ATOM 207 CD1 TRP A 11 8.076 0.129 1.711 1.00 0.00 C ATOM 208 CD2 TRP A 11 7.999 -1.147 -0.117 1.00 0.00 C ATOM 209 NE1 TRP A 11 7.497 0.845 0.674 1.00 0.00 N ATOM 210 CE2 TRP A 11 7.429 0.087 -0.482 1.00 0.00 C ATOM 211 CE3 TRP A 11 8.086 -2.159 -1.063 1.00 0.00 C ATOM 212 CZ2 TRP A 11 6.952 0.311 -1.774 1.00 0.00 C ATOM 213 CZ3 TRP A 11 7.610 -1.951 -2.369 1.00 0.00 C ATOM 214 CH2 TRP A 11 7.044 -0.714 -2.725 1.00 0.00 C ATOM 0 H TRP A 11 6.523 -1.823 1.982 1.00 0.00 H new ATOM 0 HA TRP A 11 7.984 -3.803 3.036 1.00 0.00 H new ATOM 0 HB2 TRP A 11 9.949 -1.784 2.524 1.00 0.00 H new ATOM 0 HB3 TRP A 11 9.354 -2.977 1.387 1.00 0.00 H new ATOM 0 HD1 TRP A 11 8.236 0.493 2.715 1.00 0.00 H new ATOM 0 HE1 TRP A 11 7.164 1.806 0.753 1.00 0.00 H new ATOM 0 HE3 TRP A 11 8.521 -3.110 -0.794 1.00 0.00 H new ATOM 0 HZ2 TRP A 11 6.517 1.264 -2.038 1.00 0.00 H new ATOM 0 HZ3 TRP A 11 7.679 -2.743 -3.100 1.00 0.00 H new ATOM 0 HH2 TRP A 11 6.681 -0.554 -3.729 1.00 0.00 H new ATOM 225 N ARG A 12 8.885 -1.190 4.800 1.00 0.00 N ATOM 226 CA ARG A 12 9.450 -0.801 6.124 1.00 0.00 C ATOM 227 C ARG A 12 8.549 -1.298 7.258 1.00 0.00 C ATOM 228 O ARG A 12 7.405 -0.905 7.372 1.00 0.00 O ATOM 229 CB ARG A 12 9.492 0.728 6.119 1.00 0.00 C ATOM 230 CG ARG A 12 10.877 1.197 6.560 1.00 0.00 C ATOM 231 CD ARG A 12 10.833 1.619 8.032 1.00 0.00 C ATOM 232 NE ARG A 12 10.638 0.353 8.795 1.00 0.00 N ATOM 233 CZ ARG A 12 11.664 -0.260 9.319 1.00 0.00 C ATOM 234 NH1 ARG A 12 12.187 0.179 10.432 1.00 0.00 N ATOM 235 NH2 ARG A 12 12.167 -1.310 8.733 1.00 0.00 N ATOM 0 H ARG A 12 8.688 -0.411 4.172 1.00 0.00 H new ATOM 0 HA ARG A 12 10.437 -1.236 6.282 1.00 0.00 H new ATOM 0 HB2 ARG A 12 9.268 1.106 5.121 1.00 0.00 H new ATOM 0 HB3 ARG A 12 8.730 1.126 6.789 1.00 0.00 H new ATOM 0 HG2 ARG A 12 11.604 0.396 6.422 1.00 0.00 H new ATOM 0 HG3 ARG A 12 11.203 2.033 5.941 1.00 0.00 H new ATOM 0 HD2 ARG A 12 11.756 2.118 8.326 1.00 0.00 H new ATOM 0 HD3 ARG A 12 10.019 2.320 8.217 1.00 0.00 H new ATOM 0 HE ARG A 12 9.701 -0.035 8.908 1.00 0.00 H new ATOM 0 HH11 ARG A 12 11.794 1.000 10.891 1.00 0.00 H new ATOM 0 HH12 ARG A 12 12.989 -0.300 10.842 1.00 0.00 H new ATOM 0 HH21 ARG A 12 11.759 -1.654 7.864 1.00 0.00 H new ATOM 0 HH22 ARG A 12 12.969 -1.788 9.144 1.00 0.00 H new ATOM 249 N ARG A 13 9.057 -2.155 8.100 1.00 0.00 N ATOM 250 CA ARG A 13 8.233 -2.670 9.228 1.00 0.00 C ATOM 251 C ARG A 13 8.446 -1.809 10.477 1.00 0.00 C ATOM 252 O ARG A 13 9.533 -1.323 10.721 1.00 0.00 O ATOM 253 CB ARG A 13 8.735 -4.092 9.469 1.00 0.00 C ATOM 254 CG ARG A 13 7.547 -5.055 9.468 1.00 0.00 C ATOM 255 CD ARG A 13 7.705 -6.060 10.610 1.00 0.00 C ATOM 256 NE ARG A 13 8.831 -6.939 10.193 1.00 0.00 N ATOM 257 CZ ARG A 13 9.978 -6.866 10.812 1.00 0.00 C ATOM 258 NH1 ARG A 13 10.172 -7.546 11.908 1.00 0.00 N ATOM 259 NH2 ARG A 13 10.930 -6.113 10.333 1.00 0.00 N ATOM 0 H ARG A 13 10.008 -2.521 8.055 1.00 0.00 H new ATOM 0 HA ARG A 13 7.167 -2.646 9.003 1.00 0.00 H new ATOM 0 HB2 ARG A 13 9.447 -4.375 8.694 1.00 0.00 H new ATOM 0 HB3 ARG A 13 9.262 -4.147 10.422 1.00 0.00 H new ATOM 0 HG2 ARG A 13 6.616 -4.501 9.583 1.00 0.00 H new ATOM 0 HG3 ARG A 13 7.490 -5.579 8.514 1.00 0.00 H new ATOM 0 HD2 ARG A 13 7.924 -5.557 11.552 1.00 0.00 H new ATOM 0 HD3 ARG A 13 6.791 -6.634 10.761 1.00 0.00 H new ATOM 0 HE ARG A 13 8.707 -7.598 9.424 1.00 0.00 H new ATOM 0 HH11 ARG A 13 9.427 -8.135 12.281 1.00 0.00 H new ATOM 0 HH12 ARG A 13 11.068 -7.489 12.392 1.00 0.00 H new ATOM 0 HH21 ARG A 13 10.778 -5.582 9.476 1.00 0.00 H new ATOM 0 HH22 ARG A 13 11.827 -6.055 10.816 1.00 0.00 H new HETATM 273 N NH2 A 14 7.444 -1.597 11.285 1.00 0.00 N TER 276 NH2 A 14