USER MOD reduce.3.24.130724 H: found=0, std=0, add=143, rem=0, adj=2 USER MOD reduce.3.24.130724 removed 145 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= -0.947 (180deg=-1.94!) USER MOD Single : A 3 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 4 LYS NZ :NH3+ -115:sc= 0 (180deg=-0.096) USER MOD Single : A 13 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD ----------------------------------------------------------------- ATOM 1 N ILE A 1 -11.137 7.850 0.408 1.00 0.00 N ATOM 2 CA ILE A 1 -10.984 6.753 -0.590 1.00 0.00 C ATOM 3 C ILE A 1 -9.651 6.030 -0.380 1.00 0.00 C ATOM 4 O ILE A 1 -8.592 6.618 -0.477 1.00 0.00 O ATOM 5 CB ILE A 1 -11.007 7.449 -1.951 1.00 0.00 C ATOM 6 CG1 ILE A 1 -10.089 8.672 -1.910 1.00 0.00 C ATOM 7 CG2 ILE A 1 -12.434 7.894 -2.271 1.00 0.00 C ATOM 8 CD1 ILE A 1 -9.870 9.195 -3.331 1.00 0.00 C ATOM 0 H1 ILE A 1 -11.766 8.584 0.024 1.00 0.00 H new ATOM 0 H2 ILE A 1 -11.546 7.468 1.284 1.00 0.00 H new ATOM 0 H3 ILE A 1 -10.206 8.265 0.613 1.00 0.00 H new ATOM 0 HA ILE A 1 -11.770 6.003 -0.503 1.00 0.00 H new ATOM 0 HB ILE A 1 -10.661 6.759 -2.720 1.00 0.00 H new ATOM 0 HG12 ILE A 1 -10.531 9.451 -1.289 1.00 0.00 H new ATOM 0 HG13 ILE A 1 -9.133 8.407 -1.457 1.00 0.00 H new ATOM 0 HG21 ILE A 1 -12.451 8.390 -3.241 1.00 0.00 H new ATOM 0 HG22 ILE A 1 -13.089 7.023 -2.297 1.00 0.00 H new ATOM 0 HG23 ILE A 1 -12.780 8.586 -1.503 1.00 0.00 H new ATOM 0 HD11 ILE A 1 -9.216 10.066 -3.301 1.00 0.00 H new ATOM 0 HD12 ILE A 1 -9.409 8.416 -3.938 1.00 0.00 H new ATOM 0 HD13 ILE A 1 -10.829 9.476 -3.767 1.00 0.00 H new ATOM 22 N LEU A 2 -9.694 4.758 -0.095 1.00 0.00 N ATOM 23 CA LEU A 2 -8.430 3.995 0.120 1.00 0.00 C ATOM 24 C LEU A 2 -8.744 2.593 0.646 1.00 0.00 C ATOM 25 O LEU A 2 -9.069 2.410 1.801 1.00 0.00 O ATOM 26 CB LEU A 2 -7.651 4.800 1.162 1.00 0.00 C ATOM 27 CG LEU A 2 -6.345 5.302 0.547 1.00 0.00 C ATOM 28 CD1 LEU A 2 -5.503 5.990 1.623 1.00 0.00 C ATOM 29 CD2 LEU A 2 -5.566 4.117 -0.028 1.00 0.00 C ATOM 0 H LEU A 2 -10.551 4.212 -0.001 1.00 0.00 H new ATOM 0 HA LEU A 2 -7.862 3.868 -0.801 1.00 0.00 H new ATOM 0 HB2 LEU A 2 -8.250 5.643 1.508 1.00 0.00 H new ATOM 0 HB3 LEU A 2 -7.440 4.180 2.033 1.00 0.00 H new ATOM 0 HG LEU A 2 -6.568 6.013 -0.248 1.00 0.00 H new ATOM 0 HD11 LEU A 2 -4.572 6.347 1.183 1.00 0.00 H new ATOM 0 HD12 LEU A 2 -6.057 6.833 2.035 1.00 0.00 H new ATOM 0 HD13 LEU A 2 -5.279 5.280 2.419 1.00 0.00 H new ATOM 0 HD21 LEU A 2 -4.634 4.473 -0.467 1.00 0.00 H new ATOM 0 HD22 LEU A 2 -5.344 3.407 0.768 1.00 0.00 H new ATOM 0 HD23 LEU A 2 -6.164 3.626 -0.795 1.00 0.00 H new ATOM 41 N LYS A 3 -8.649 1.607 -0.198 1.00 0.00 N ATOM 42 CA LYS A 3 -8.941 0.214 0.244 1.00 0.00 C ATOM 43 C LYS A 3 -8.651 -0.773 -0.890 1.00 0.00 C ATOM 44 O LYS A 3 -9.550 -1.356 -1.462 1.00 0.00 O ATOM 45 CB LYS A 3 -10.431 0.213 0.589 1.00 0.00 C ATOM 46 CG LYS A 3 -11.221 0.846 -0.559 1.00 0.00 C ATOM 47 CD LYS A 3 -12.666 0.348 -0.522 1.00 0.00 C ATOM 48 CE LYS A 3 -13.483 1.220 0.433 1.00 0.00 C ATOM 49 NZ LYS A 3 -14.842 0.609 0.443 1.00 0.00 N ATOM 0 H LYS A 3 -8.381 1.704 -1.177 1.00 0.00 H new ATOM 0 HA LYS A 3 -8.326 -0.088 1.092 1.00 0.00 H new ATOM 0 HB2 LYS A 3 -10.774 -0.807 0.762 1.00 0.00 H new ATOM 0 HB3 LYS A 3 -10.602 0.768 1.512 1.00 0.00 H new ATOM 0 HG2 LYS A 3 -11.198 1.932 -0.474 1.00 0.00 H new ATOM 0 HG3 LYS A 3 -10.762 0.591 -1.514 1.00 0.00 H new ATOM 0 HD2 LYS A 3 -13.099 0.381 -1.522 1.00 0.00 H new ATOM 0 HD3 LYS A 3 -12.695 -0.692 -0.197 1.00 0.00 H new ATOM 0 HE2 LYS A 3 -13.046 1.228 1.432 1.00 0.00 H new ATOM 0 HE3 LYS A 3 -13.518 2.255 0.092 1.00 0.00 H new ATOM 0 HZ1 LYS A 3 -15.462 1.152 1.077 1.00 0.00 H new ATOM 0 HZ2 LYS A 3 -15.235 0.621 -0.520 1.00 0.00 H new ATOM 0 HZ3 LYS A 3 -14.779 -0.373 0.779 1.00 0.00 H new ATOM 63 N LYS A 4 -7.403 -0.966 -1.216 1.00 0.00 N ATOM 64 CA LYS A 4 -7.057 -1.915 -2.313 1.00 0.00 C ATOM 65 C LYS A 4 -5.949 -2.855 -1.856 1.00 0.00 C ATOM 66 O LYS A 4 -4.842 -2.832 -2.358 1.00 0.00 O ATOM 67 CB LYS A 4 -6.576 -1.036 -3.460 1.00 0.00 C ATOM 68 CG LYS A 4 -7.639 -1.000 -4.559 1.00 0.00 C ATOM 69 CD LYS A 4 -7.229 0.010 -5.633 1.00 0.00 C ATOM 70 CE LYS A 4 -7.741 -0.458 -6.997 1.00 0.00 C ATOM 71 NZ LYS A 4 -9.213 -0.234 -6.953 1.00 0.00 N ATOM 0 H LYS A 4 -6.608 -0.508 -0.771 1.00 0.00 H new ATOM 0 HA LYS A 4 -7.903 -2.537 -2.608 1.00 0.00 H new ATOM 0 HB2 LYS A 4 -6.377 -0.027 -3.099 1.00 0.00 H new ATOM 0 HB3 LYS A 4 -5.638 -1.423 -3.859 1.00 0.00 H new ATOM 0 HG2 LYS A 4 -7.754 -1.990 -5.001 1.00 0.00 H new ATOM 0 HG3 LYS A 4 -8.605 -0.725 -4.136 1.00 0.00 H new ATOM 0 HD2 LYS A 4 -7.637 0.993 -5.397 1.00 0.00 H new ATOM 0 HD3 LYS A 4 -6.144 0.112 -5.656 1.00 0.00 H new ATOM 0 HE2 LYS A 4 -7.280 0.107 -7.807 1.00 0.00 H new ATOM 0 HE3 LYS A 4 -7.506 -1.509 -7.167 1.00 0.00 H new ATOM 0 HZ1 LYS A 4 -9.705 -1.149 -7.004 1.00 0.00 H new ATOM 0 HZ2 LYS A 4 -9.465 0.246 -6.065 1.00 0.00 H new ATOM 0 HZ3 LYS A 4 -9.498 0.358 -7.759 1.00 0.00 H new ATOM 85 N TRP A 5 -6.253 -3.684 -0.909 1.00 0.00 N ATOM 86 CA TRP A 5 -5.238 -4.647 -0.393 1.00 0.00 C ATOM 87 C TRP A 5 -3.931 -3.919 -0.069 1.00 0.00 C ATOM 88 O TRP A 5 -3.157 -3.609 -0.952 1.00 0.00 O ATOM 89 CB TRP A 5 -5.029 -5.643 -1.532 1.00 0.00 C ATOM 90 CG TRP A 5 -6.084 -6.700 -1.468 1.00 0.00 C ATOM 91 CD1 TRP A 5 -7.067 -6.874 -2.381 1.00 0.00 C ATOM 92 CD2 TRP A 5 -6.276 -7.729 -0.457 1.00 0.00 C ATOM 93 NE1 TRP A 5 -7.852 -7.946 -1.992 1.00 0.00 N ATOM 94 CE2 TRP A 5 -7.404 -8.506 -0.812 1.00 0.00 C ATOM 95 CE3 TRP A 5 -5.589 -8.062 0.723 1.00 0.00 C ATOM 96 CZ2 TRP A 5 -7.834 -9.575 -0.024 1.00 0.00 C ATOM 97 CZ3 TRP A 5 -6.018 -9.135 1.520 1.00 0.00 C ATOM 98 CH2 TRP A 5 -7.139 -9.890 1.146 1.00 0.00 C ATOM 0 H TRP A 5 -7.168 -3.742 -0.462 1.00 0.00 H new ATOM 0 HA TRP A 5 -5.562 -5.137 0.525 1.00 0.00 H new ATOM 0 HB2 TRP A 5 -5.072 -5.129 -2.492 1.00 0.00 H new ATOM 0 HB3 TRP A 5 -4.040 -6.096 -1.457 1.00 0.00 H new ATOM 0 HD1 TRP A 5 -7.215 -6.275 -3.267 1.00 0.00 H new ATOM 0 HE1 TRP A 5 -8.662 -8.281 -2.513 1.00 0.00 H new ATOM 0 HE3 TRP A 5 -4.724 -7.488 1.019 1.00 0.00 H new ATOM 0 HZ2 TRP A 5 -8.697 -10.154 -0.317 1.00 0.00 H new ATOM 0 HZ3 TRP A 5 -5.482 -9.380 2.425 1.00 0.00 H new ATOM 0 HH2 TRP A 5 -7.465 -10.715 1.762 1.00 0.00 H new ATOM 109 N PRO A 6 -3.730 -3.674 1.196 1.00 0.00 N ATOM 110 CA PRO A 6 -2.503 -2.976 1.651 1.00 0.00 C ATOM 111 C PRO A 6 -1.290 -3.902 1.540 1.00 0.00 C ATOM 112 O PRO A 6 -0.888 -4.533 2.498 1.00 0.00 O ATOM 113 CB PRO A 6 -2.803 -2.637 3.106 1.00 0.00 C ATOM 114 CG PRO A 6 -3.823 -3.644 3.537 1.00 0.00 C ATOM 115 CD PRO A 6 -4.616 -4.021 2.313 1.00 0.00 C ATOM 0 HA PRO A 6 -2.264 -2.094 1.056 1.00 0.00 H new ATOM 0 HB2 PRO A 6 -1.904 -2.699 3.719 1.00 0.00 H new ATOM 0 HB3 PRO A 6 -3.186 -1.621 3.204 1.00 0.00 H new ATOM 0 HG2 PRO A 6 -3.340 -4.521 3.969 1.00 0.00 H new ATOM 0 HG3 PRO A 6 -4.475 -3.228 4.305 1.00 0.00 H new ATOM 0 HD2 PRO A 6 -4.865 -5.082 2.310 1.00 0.00 H new ATOM 0 HD3 PRO A 6 -5.556 -3.472 2.262 1.00 0.00 H new ATOM 123 N TRP A 7 -0.709 -3.988 0.378 1.00 0.00 N ATOM 124 CA TRP A 7 0.477 -4.873 0.200 1.00 0.00 C ATOM 125 C TRP A 7 1.617 -4.101 -0.462 1.00 0.00 C ATOM 126 O TRP A 7 2.095 -4.458 -1.521 1.00 0.00 O ATOM 127 CB TRP A 7 0.000 -5.995 -0.712 1.00 0.00 C ATOM 128 CG TRP A 7 -0.195 -7.241 0.089 1.00 0.00 C ATOM 129 CD1 TRP A 7 -1.394 -7.748 0.455 1.00 0.00 C ATOM 130 CD2 TRP A 7 0.815 -8.144 0.627 1.00 0.00 C ATOM 131 NE1 TRP A 7 -1.186 -8.904 1.185 1.00 0.00 N ATOM 132 CE2 TRP A 7 0.160 -9.190 1.318 1.00 0.00 C ATOM 133 CE3 TRP A 7 2.220 -8.155 0.583 1.00 0.00 C ATOM 134 CZ2 TRP A 7 0.874 -10.212 1.944 1.00 0.00 C ATOM 135 CZ3 TRP A 7 2.943 -9.183 1.212 1.00 0.00 C ATOM 136 CH2 TRP A 7 2.270 -10.208 1.890 1.00 0.00 C ATOM 0 H TRP A 7 -1.003 -3.484 -0.458 1.00 0.00 H new ATOM 0 HA TRP A 7 0.855 -5.250 1.150 1.00 0.00 H new ATOM 0 HB2 TRP A 7 -0.934 -5.712 -1.196 1.00 0.00 H new ATOM 0 HB3 TRP A 7 0.729 -6.169 -1.503 1.00 0.00 H new ATOM 0 HD1 TRP A 7 -2.356 -7.320 0.216 1.00 0.00 H new ATOM 0 HE1 TRP A 7 -1.934 -9.476 1.577 1.00 0.00 H new ATOM 0 HE3 TRP A 7 2.747 -7.369 0.063 1.00 0.00 H new ATOM 0 HZ2 TRP A 7 0.352 -11.000 2.466 1.00 0.00 H new ATOM 0 HZ3 TRP A 7 4.022 -9.183 1.173 1.00 0.00 H new ATOM 0 HH2 TRP A 7 2.831 -10.996 2.371 1.00 0.00 H new ATOM 147 N TRP A 8 2.053 -3.047 0.156 1.00 0.00 N ATOM 148 CA TRP A 8 3.162 -2.245 -0.425 1.00 0.00 C ATOM 149 C TRP A 8 4.104 -1.759 0.680 1.00 0.00 C ATOM 150 O TRP A 8 3.759 -0.890 1.456 1.00 0.00 O ATOM 151 CB TRP A 8 2.484 -1.061 -1.109 1.00 0.00 C ATOM 152 CG TRP A 8 3.375 -0.536 -2.185 1.00 0.00 C ATOM 153 CD1 TRP A 8 4.059 0.630 -2.126 1.00 0.00 C ATOM 154 CD2 TRP A 8 3.696 -1.134 -3.474 1.00 0.00 C ATOM 155 NE1 TRP A 8 4.776 0.788 -3.298 1.00 0.00 N ATOM 156 CE2 TRP A 8 4.584 -0.274 -4.162 1.00 0.00 C ATOM 157 CE3 TRP A 8 3.305 -2.327 -4.108 1.00 0.00 C ATOM 158 CZ2 TRP A 8 5.068 -0.586 -5.433 1.00 0.00 C ATOM 159 CZ3 TRP A 8 3.789 -2.644 -5.388 1.00 0.00 C ATOM 160 CH2 TRP A 8 4.670 -1.775 -6.049 1.00 0.00 C ATOM 0 H TRP A 8 1.689 -2.702 1.044 1.00 0.00 H new ATOM 0 HA TRP A 8 3.765 -2.826 -1.122 1.00 0.00 H new ATOM 0 HB2 TRP A 8 1.528 -1.369 -1.531 1.00 0.00 H new ATOM 0 HB3 TRP A 8 2.273 -0.278 -0.381 1.00 0.00 H new ATOM 0 HD1 TRP A 8 4.047 1.324 -1.299 1.00 0.00 H new ATOM 0 HE1 TRP A 8 5.373 1.590 -3.500 1.00 0.00 H new ATOM 0 HE3 TRP A 8 2.628 -3.004 -3.607 1.00 0.00 H new ATOM 0 HZ2 TRP A 8 5.746 0.087 -5.937 1.00 0.00 H new ATOM 0 HZ3 TRP A 8 3.481 -3.562 -5.866 1.00 0.00 H new ATOM 0 HH2 TRP A 8 5.040 -2.025 -7.032 1.00 0.00 H new ATOM 171 N PRO A 9 5.271 -2.344 0.709 1.00 0.00 N ATOM 172 CA PRO A 9 6.287 -1.981 1.718 1.00 0.00 C ATOM 173 C PRO A 9 7.131 -0.804 1.228 1.00 0.00 C ATOM 174 O PRO A 9 8.299 -0.689 1.540 1.00 0.00 O ATOM 175 CB PRO A 9 7.128 -3.244 1.829 1.00 0.00 C ATOM 176 CG PRO A 9 6.963 -3.962 0.517 1.00 0.00 C ATOM 177 CD PRO A 9 5.749 -3.394 -0.186 1.00 0.00 C ATOM 0 HA PRO A 9 5.860 -1.668 2.671 1.00 0.00 H new ATOM 0 HB2 PRO A 9 8.175 -3.002 2.014 1.00 0.00 H new ATOM 0 HB3 PRO A 9 6.793 -3.865 2.660 1.00 0.00 H new ATOM 0 HG2 PRO A 9 7.853 -3.835 -0.100 1.00 0.00 H new ATOM 0 HG3 PRO A 9 6.840 -5.032 0.683 1.00 0.00 H new ATOM 0 HD2 PRO A 9 6.008 -2.994 -1.166 1.00 0.00 H new ATOM 0 HD3 PRO A 9 4.988 -4.158 -0.345 1.00 0.00 H new ATOM 185 N TRP A 10 6.543 0.065 0.463 1.00 0.00 N ATOM 186 CA TRP A 10 7.295 1.235 -0.058 1.00 0.00 C ATOM 187 C TRP A 10 6.831 2.516 0.633 1.00 0.00 C ATOM 188 O TRP A 10 7.580 3.167 1.334 1.00 0.00 O ATOM 189 CB TRP A 10 6.955 1.275 -1.545 1.00 0.00 C ATOM 190 CG TRP A 10 8.213 1.346 -2.343 1.00 0.00 C ATOM 191 CD1 TRP A 10 9.057 2.403 -2.395 1.00 0.00 C ATOM 192 CD2 TRP A 10 8.778 0.326 -3.202 1.00 0.00 C ATOM 193 NE1 TRP A 10 10.108 2.088 -3.240 1.00 0.00 N ATOM 194 CE2 TRP A 10 9.979 0.815 -3.762 1.00 0.00 C ATOM 195 CE3 TRP A 10 8.359 -0.965 -3.542 1.00 0.00 C ATOM 196 CZ2 TRP A 10 10.743 0.042 -4.637 1.00 0.00 C ATOM 197 CZ3 TRP A 10 9.122 -1.751 -4.422 1.00 0.00 C ATOM 198 CH2 TRP A 10 10.312 -1.248 -4.968 1.00 0.00 C ATOM 0 H TRP A 10 5.566 0.016 0.173 1.00 0.00 H new ATOM 0 HA TRP A 10 8.367 1.155 0.120 1.00 0.00 H new ATOM 0 HB2 TRP A 10 6.386 0.388 -1.822 1.00 0.00 H new ATOM 0 HB3 TRP A 10 6.326 2.138 -1.762 1.00 0.00 H new ATOM 0 HD1 TRP A 10 8.932 3.336 -1.866 1.00 0.00 H new ATOM 0 HE1 TRP A 10 10.882 2.718 -3.451 1.00 0.00 H new ATOM 0 HE3 TRP A 10 7.444 -1.360 -3.126 1.00 0.00 H new ATOM 0 HZ2 TRP A 10 11.658 0.435 -5.055 1.00 0.00 H new ATOM 0 HZ3 TRP A 10 8.791 -2.746 -4.679 1.00 0.00 H new ATOM 0 HH2 TRP A 10 10.896 -1.856 -5.644 1.00 0.00 H new ATOM 209 N ARG A 11 5.597 2.880 0.439 1.00 0.00 N ATOM 210 CA ARG A 11 5.066 4.113 1.072 1.00 0.00 C ATOM 211 C ARG A 11 3.792 3.794 1.852 1.00 0.00 C ATOM 212 O ARG A 11 2.720 4.271 1.539 1.00 0.00 O ATOM 213 CB ARG A 11 4.762 5.071 -0.084 1.00 0.00 C ATOM 214 CG ARG A 11 4.300 4.293 -1.323 1.00 0.00 C ATOM 215 CD ARG A 11 3.378 5.177 -2.165 1.00 0.00 C ATOM 216 NE ARG A 11 4.282 6.158 -2.826 1.00 0.00 N ATOM 217 CZ ARG A 11 4.058 6.525 -4.058 1.00 0.00 C ATOM 218 NH1 ARG A 11 4.352 5.720 -5.042 1.00 0.00 N ATOM 219 NH2 ARG A 11 3.540 7.696 -4.306 1.00 0.00 N ATOM 0 H ARG A 11 4.928 2.370 -0.137 1.00 0.00 H new ATOM 0 HA ARG A 11 5.775 4.548 1.776 1.00 0.00 H new ATOM 0 HB2 ARG A 11 3.989 5.779 0.217 1.00 0.00 H new ATOM 0 HB3 ARG A 11 5.652 5.653 -0.324 1.00 0.00 H new ATOM 0 HG2 ARG A 11 5.162 3.982 -1.913 1.00 0.00 H new ATOM 0 HG3 ARG A 11 3.776 3.386 -1.022 1.00 0.00 H new ATOM 0 HD2 ARG A 11 2.830 4.588 -2.900 1.00 0.00 H new ATOM 0 HD3 ARG A 11 2.637 5.680 -1.543 1.00 0.00 H new ATOM 0 HE ARG A 11 5.077 6.543 -2.316 1.00 0.00 H new ATOM 0 HH11 ARG A 11 4.757 4.804 -4.848 1.00 0.00 H new ATOM 0 HH12 ARG A 11 4.177 6.007 -6.005 1.00 0.00 H new ATOM 0 HH21 ARG A 11 3.310 8.325 -3.537 1.00 0.00 H new ATOM 0 HH22 ARG A 11 3.365 7.983 -5.269 1.00 0.00 H new ATOM 233 N ARG A 12 3.907 2.987 2.866 1.00 0.00 N ATOM 234 CA ARG A 12 2.707 2.628 3.677 1.00 0.00 C ATOM 235 C ARG A 12 2.709 3.409 4.995 1.00 0.00 C ATOM 236 O ARG A 12 2.906 2.852 6.055 1.00 0.00 O ATOM 237 CB ARG A 12 2.840 1.129 3.940 1.00 0.00 C ATOM 238 CG ARG A 12 4.220 0.831 4.530 1.00 0.00 C ATOM 239 CD ARG A 12 4.181 -0.506 5.273 1.00 0.00 C ATOM 240 NE ARG A 12 5.010 -0.292 6.491 1.00 0.00 N ATOM 241 CZ ARG A 12 6.021 -1.080 6.738 1.00 0.00 C ATOM 242 NH1 ARG A 12 6.876 -1.362 5.794 1.00 0.00 N ATOM 243 NH2 ARG A 12 6.176 -1.588 7.930 1.00 0.00 N ATOM 0 H ARG A 12 4.781 2.558 3.171 1.00 0.00 H new ATOM 0 HA ARG A 12 1.775 2.869 3.166 1.00 0.00 H new ATOM 0 HB2 ARG A 12 2.061 0.800 4.627 1.00 0.00 H new ATOM 0 HB3 ARG A 12 2.702 0.573 3.012 1.00 0.00 H new ATOM 0 HG2 ARG A 12 4.966 0.796 3.736 1.00 0.00 H new ATOM 0 HG3 ARG A 12 4.516 1.629 5.211 1.00 0.00 H new ATOM 0 HD2 ARG A 12 3.160 -0.783 5.534 1.00 0.00 H new ATOM 0 HD3 ARG A 12 4.583 -1.311 4.658 1.00 0.00 H new ATOM 0 HE ARG A 12 4.788 0.470 7.132 1.00 0.00 H new ATOM 0 HH11 ARG A 12 6.755 -0.967 4.862 1.00 0.00 H new ATOM 0 HH12 ARG A 12 7.666 -1.978 5.988 1.00 0.00 H new ATOM 0 HH21 ARG A 12 5.507 -1.369 8.668 1.00 0.00 H new ATOM 0 HH22 ARG A 12 6.966 -2.204 8.123 1.00 0.00 H new ATOM 257 N LYS A 13 2.490 4.694 4.934 1.00 0.00 N ATOM 258 CA LYS A 13 2.480 5.508 6.183 1.00 0.00 C ATOM 259 C LYS A 13 1.794 6.854 5.932 1.00 0.00 C ATOM 260 O LYS A 13 2.373 7.899 6.154 1.00 0.00 O ATOM 261 CB LYS A 13 3.953 5.714 6.535 1.00 0.00 C ATOM 262 CG LYS A 13 4.158 5.487 8.033 1.00 0.00 C ATOM 263 CD LYS A 13 5.113 6.546 8.586 1.00 0.00 C ATOM 264 CE LYS A 13 6.537 5.985 8.618 1.00 0.00 C ATOM 265 NZ LYS A 13 7.411 7.135 8.257 1.00 0.00 N ATOM 0 H LYS A 13 2.318 5.215 4.074 1.00 0.00 H new ATOM 0 HA LYS A 13 1.934 5.019 6.990 1.00 0.00 H new ATOM 0 HB2 LYS A 13 4.574 5.024 5.964 1.00 0.00 H new ATOM 0 HB3 LYS A 13 4.265 6.723 6.264 1.00 0.00 H new ATOM 0 HG2 LYS A 13 3.201 5.538 8.553 1.00 0.00 H new ATOM 0 HG3 LYS A 13 4.563 4.490 8.208 1.00 0.00 H new ATOM 0 HD2 LYS A 13 5.078 7.442 7.966 1.00 0.00 H new ATOM 0 HD3 LYS A 13 4.804 6.841 9.589 1.00 0.00 H new ATOM 0 HE2 LYS A 13 6.786 5.595 9.605 1.00 0.00 H new ATOM 0 HE3 LYS A 13 6.654 5.163 7.911 1.00 0.00 H new ATOM 0 HZ1 LYS A 13 8.405 6.829 8.257 1.00 0.00 H new ATOM 0 HZ2 LYS A 13 7.156 7.481 7.310 1.00 0.00 H new ATOM 0 HZ3 LYS A 13 7.284 7.899 8.951 1.00 0.00 H new HETATM 279 N NH2 A 14 0.573 6.873 5.472 1.00 0.00 N TER 282 NH2 A 14