USER MOD reduce.3.24.130724 H: found=0, std=0, add=128, rem=0, adj=1 USER MOD reduce.3.24.130724 removed 130 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= -0.0642 (180deg=-0.859) USER MOD Single : A 5 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD ----------------------------------------------------------------- ATOM 1 N ILE A 1 -13.542 3.026 5.591 1.00 0.00 N ATOM 2 CA ILE A 1 -12.148 3.194 6.093 1.00 0.00 C ATOM 3 C ILE A 1 -11.293 1.988 5.694 1.00 0.00 C ATOM 4 O ILE A 1 -10.327 1.656 6.353 1.00 0.00 O ATOM 5 CB ILE A 1 -12.284 3.278 7.613 1.00 0.00 C ATOM 6 CG1 ILE A 1 -10.955 3.739 8.218 1.00 0.00 C ATOM 7 CG2 ILE A 1 -12.646 1.901 8.170 1.00 0.00 C ATOM 8 CD1 ILE A 1 -11.194 4.960 9.107 1.00 0.00 C ATOM 0 H1 ILE A 1 -14.191 3.592 6.173 1.00 0.00 H new ATOM 0 H2 ILE A 1 -13.596 3.345 4.603 1.00 0.00 H new ATOM 0 H3 ILE A 1 -13.812 2.023 5.646 1.00 0.00 H new ATOM 0 HA ILE A 1 -11.662 4.077 5.678 1.00 0.00 H new ATOM 0 HB ILE A 1 -13.068 3.991 7.869 1.00 0.00 H new ATOM 0 HG12 ILE A 1 -10.510 2.933 8.801 1.00 0.00 H new ATOM 0 HG13 ILE A 1 -10.249 3.986 7.425 1.00 0.00 H new ATOM 0 HG21 ILE A 1 -12.743 1.961 9.254 1.00 0.00 H new ATOM 0 HG22 ILE A 1 -13.591 1.571 7.739 1.00 0.00 H new ATOM 0 HG23 ILE A 1 -11.862 1.188 7.915 1.00 0.00 H new ATOM 0 HD11 ILE A 1 -10.248 5.288 9.537 1.00 0.00 H new ATOM 0 HD12 ILE A 1 -11.620 5.767 8.510 1.00 0.00 H new ATOM 0 HD13 ILE A 1 -11.885 4.697 9.908 1.00 0.00 H new ATOM 22 N LEU A 2 -11.639 1.332 4.621 1.00 0.00 N ATOM 23 CA LEU A 2 -10.845 0.149 4.182 1.00 0.00 C ATOM 24 C LEU A 2 -9.510 0.600 3.584 1.00 0.00 C ATOM 25 O LEU A 2 -9.378 0.762 2.387 1.00 0.00 O ATOM 26 CB LEU A 2 -11.706 -0.534 3.119 1.00 0.00 C ATOM 27 CG LEU A 2 -12.393 -1.757 3.726 1.00 0.00 C ATOM 28 CD1 LEU A 2 -13.887 -1.473 3.894 1.00 0.00 C ATOM 29 CD2 LEU A 2 -12.205 -2.960 2.799 1.00 0.00 C ATOM 0 H LEU A 2 -12.437 1.563 4.029 1.00 0.00 H new ATOM 0 HA LEU A 2 -10.611 -0.521 5.009 1.00 0.00 H new ATOM 0 HB2 LEU A 2 -12.452 0.163 2.737 1.00 0.00 H new ATOM 0 HB3 LEU A 2 -11.088 -0.834 2.273 1.00 0.00 H new ATOM 0 HG LEU A 2 -11.953 -1.975 4.699 1.00 0.00 H new ATOM 0 HD11 LEU A 2 -14.377 -2.345 4.327 1.00 0.00 H new ATOM 0 HD12 LEU A 2 -14.023 -0.616 4.554 1.00 0.00 H new ATOM 0 HD13 LEU A 2 -14.328 -1.255 2.921 1.00 0.00 H new ATOM 0 HD21 LEU A 2 -12.695 -3.833 3.231 1.00 0.00 H new ATOM 0 HD22 LEU A 2 -12.645 -2.742 1.826 1.00 0.00 H new ATOM 0 HD23 LEU A 2 -11.141 -3.164 2.678 1.00 0.00 H new ATOM 41 N ALA A 3 -8.520 0.807 4.409 1.00 0.00 N ATOM 42 CA ALA A 3 -7.195 1.250 3.888 1.00 0.00 C ATOM 43 C ALA A 3 -6.302 0.036 3.616 1.00 0.00 C ATOM 44 O ALA A 3 -5.110 0.065 3.844 1.00 0.00 O ATOM 45 CB ALA A 3 -6.602 2.110 5.003 1.00 0.00 C ATOM 0 H ALA A 3 -8.571 0.689 5.421 1.00 0.00 H new ATOM 0 HA ALA A 3 -7.281 1.798 2.950 1.00 0.00 H new ATOM 0 HB1 ALA A 3 -5.622 2.477 4.698 1.00 0.00 H new ATOM 0 HB2 ALA A 3 -7.261 2.956 5.200 1.00 0.00 H new ATOM 0 HB3 ALA A 3 -6.499 1.512 5.908 1.00 0.00 H new ATOM 51 N TRP A 4 -6.876 -1.032 3.139 1.00 0.00 N ATOM 52 CA TRP A 4 -6.068 -2.256 2.860 1.00 0.00 C ATOM 53 C TRP A 4 -5.110 -2.027 1.687 1.00 0.00 C ATOM 54 O TRP A 4 -4.005 -2.531 1.672 1.00 0.00 O ATOM 55 CB TRP A 4 -7.093 -3.332 2.514 1.00 0.00 C ATOM 56 CG TRP A 4 -6.881 -4.512 3.403 1.00 0.00 C ATOM 57 CD1 TRP A 4 -7.760 -4.955 4.331 1.00 0.00 C ATOM 58 CD2 TRP A 4 -5.732 -5.402 3.469 1.00 0.00 C ATOM 59 NE1 TRP A 4 -7.226 -6.066 4.958 1.00 0.00 N ATOM 60 CE2 TRP A 4 -5.975 -6.380 4.462 1.00 0.00 C ATOM 61 CE3 TRP A 4 -4.515 -5.454 2.768 1.00 0.00 C ATOM 62 CZ2 TRP A 4 -5.042 -7.377 4.748 1.00 0.00 C ATOM 63 CZ3 TRP A 4 -3.573 -6.456 3.054 1.00 0.00 C ATOM 64 CH2 TRP A 4 -3.836 -7.416 4.043 1.00 0.00 C ATOM 0 H TRP A 4 -7.871 -1.113 2.929 1.00 0.00 H new ATOM 0 HA TRP A 4 -5.447 -2.535 3.711 1.00 0.00 H new ATOM 0 HB2 TRP A 4 -8.103 -2.943 2.640 1.00 0.00 H new ATOM 0 HB3 TRP A 4 -6.992 -3.625 1.469 1.00 0.00 H new ATOM 0 HD1 TRP A 4 -8.722 -4.513 4.547 1.00 0.00 H new ATOM 0 HE1 TRP A 4 -7.698 -6.589 5.696 1.00 0.00 H new ATOM 0 HE3 TRP A 4 -4.303 -4.719 2.005 1.00 0.00 H new ATOM 0 HZ2 TRP A 4 -5.250 -8.114 5.509 1.00 0.00 H new ATOM 0 HZ3 TRP A 4 -2.641 -6.488 2.509 1.00 0.00 H new ATOM 0 HH2 TRP A 4 -3.108 -8.184 4.259 1.00 0.00 H new ATOM 75 N LYS A 5 -5.521 -1.278 0.704 1.00 0.00 N ATOM 76 CA LYS A 5 -4.626 -1.031 -0.464 1.00 0.00 C ATOM 77 C LYS A 5 -3.575 0.026 -0.112 1.00 0.00 C ATOM 78 O LYS A 5 -2.792 0.437 -0.946 1.00 0.00 O ATOM 79 CB LYS A 5 -5.549 -0.525 -1.572 1.00 0.00 C ATOM 80 CG LYS A 5 -6.757 -1.457 -1.697 1.00 0.00 C ATOM 81 CD LYS A 5 -8.035 -0.680 -1.376 1.00 0.00 C ATOM 82 CE LYS A 5 -9.120 -1.653 -0.907 1.00 0.00 C ATOM 83 NZ LYS A 5 -9.809 -2.090 -2.152 1.00 0.00 N ATOM 0 H LYS A 5 -6.434 -0.826 0.656 1.00 0.00 H new ATOM 0 HA LYS A 5 -4.084 -1.927 -0.765 1.00 0.00 H new ATOM 0 HB2 LYS A 5 -5.880 0.489 -1.349 1.00 0.00 H new ATOM 0 HB3 LYS A 5 -5.009 -0.483 -2.518 1.00 0.00 H new ATOM 0 HG2 LYS A 5 -6.811 -1.867 -2.706 1.00 0.00 H new ATOM 0 HG3 LYS A 5 -6.651 -2.301 -1.016 1.00 0.00 H new ATOM 0 HD2 LYS A 5 -7.838 0.062 -0.602 1.00 0.00 H new ATOM 0 HD3 LYS A 5 -8.375 -0.138 -2.258 1.00 0.00 H new ATOM 0 HE2 LYS A 5 -8.687 -2.501 -0.377 1.00 0.00 H new ATOM 0 HE3 LYS A 5 -9.815 -1.169 -0.221 1.00 0.00 H new ATOM 0 HZ1 LYS A 5 -10.568 -2.760 -1.912 1.00 0.00 H new ATOM 0 HZ2 LYS A 5 -10.217 -1.262 -2.632 1.00 0.00 H new ATOM 0 HZ3 LYS A 5 -9.125 -2.554 -2.783 1.00 0.00 H new ATOM 97 N TRP A 6 -3.549 0.463 1.116 1.00 0.00 N ATOM 98 CA TRP A 6 -2.543 1.491 1.521 1.00 0.00 C ATOM 99 C TRP A 6 -1.279 0.809 2.055 1.00 0.00 C ATOM 100 O TRP A 6 -0.178 1.115 1.646 1.00 0.00 O ATOM 101 CB TRP A 6 -3.220 2.312 2.622 1.00 0.00 C ATOM 102 CG TRP A 6 -2.839 3.754 2.476 1.00 0.00 C ATOM 103 CD1 TRP A 6 -3.703 4.770 2.236 1.00 0.00 C ATOM 104 CD2 TRP A 6 -1.514 4.355 2.557 1.00 0.00 C ATOM 105 NE1 TRP A 6 -2.990 5.953 2.164 1.00 0.00 N ATOM 106 CE2 TRP A 6 -1.638 5.751 2.355 1.00 0.00 C ATOM 107 CE3 TRP A 6 -0.228 3.831 2.783 1.00 0.00 C ATOM 108 CZ2 TRP A 6 -0.528 6.595 2.377 1.00 0.00 C ATOM 109 CZ3 TRP A 6 0.892 4.679 2.806 1.00 0.00 C ATOM 110 CH2 TRP A 6 0.742 6.058 2.603 1.00 0.00 C ATOM 0 H TRP A 6 -4.178 0.155 1.857 1.00 0.00 H new ATOM 0 HA TRP A 6 -2.238 2.118 0.684 1.00 0.00 H new ATOM 0 HB2 TRP A 6 -4.303 2.203 2.558 1.00 0.00 H new ATOM 0 HB3 TRP A 6 -2.919 1.943 3.603 1.00 0.00 H new ATOM 0 HD1 TRP A 6 -4.772 4.672 2.120 1.00 0.00 H new ATOM 0 HE1 TRP A 6 -3.412 6.865 1.991 1.00 0.00 H new ATOM 0 HE3 TRP A 6 -0.101 2.770 2.940 1.00 0.00 H new ATOM 0 HZ2 TRP A 6 -0.649 7.657 2.220 1.00 0.00 H new ATOM 0 HZ3 TRP A 6 1.874 4.266 2.981 1.00 0.00 H new ATOM 0 HH2 TRP A 6 1.607 6.704 2.621 1.00 0.00 H new ATOM 121 N ALA A 7 -1.429 -0.117 2.965 1.00 0.00 N ATOM 122 CA ALA A 7 -0.236 -0.818 3.521 1.00 0.00 C ATOM 123 C ALA A 7 0.631 -1.366 2.384 1.00 0.00 C ATOM 124 O ALA A 7 1.811 -1.604 2.549 1.00 0.00 O ATOM 125 CB ALA A 7 -0.807 -1.963 4.359 1.00 0.00 C ATOM 0 H ALA A 7 -2.326 -0.418 3.347 1.00 0.00 H new ATOM 0 HA ALA A 7 0.396 -0.155 4.112 1.00 0.00 H new ATOM 0 HB1 ALA A 7 0.010 -2.530 4.805 1.00 0.00 H new ATOM 0 HB2 ALA A 7 -1.439 -1.556 5.148 1.00 0.00 H new ATOM 0 HB3 ALA A 7 -1.399 -2.620 3.722 1.00 0.00 H new ATOM 131 N TRP A 8 0.053 -1.569 1.232 1.00 0.00 N ATOM 132 CA TRP A 8 0.844 -2.103 0.085 1.00 0.00 C ATOM 133 C TRP A 8 2.091 -1.249 -0.142 1.00 0.00 C ATOM 134 O TRP A 8 3.175 -1.575 0.299 1.00 0.00 O ATOM 135 CB TRP A 8 -0.093 -2.003 -1.125 1.00 0.00 C ATOM 136 CG TRP A 8 0.704 -1.983 -2.401 1.00 0.00 C ATOM 137 CD1 TRP A 8 0.743 -0.957 -3.281 1.00 0.00 C ATOM 138 CD2 TRP A 8 1.577 -3.013 -2.947 1.00 0.00 C ATOM 139 NE1 TRP A 8 1.565 -1.299 -4.339 1.00 0.00 N ATOM 140 CE2 TRP A 8 2.103 -2.558 -4.178 1.00 0.00 C ATOM 141 CE3 TRP A 8 1.952 -4.286 -2.500 1.00 0.00 C ATOM 142 CZ2 TRP A 8 2.970 -3.343 -4.940 1.00 0.00 C ATOM 143 CZ3 TRP A 8 2.826 -5.082 -3.260 1.00 0.00 C ATOM 144 CH2 TRP A 8 3.332 -4.611 -4.480 1.00 0.00 C ATOM 0 H TRP A 8 -0.931 -1.389 1.035 1.00 0.00 H new ATOM 0 HA TRP A 8 1.182 -3.124 0.261 1.00 0.00 H new ATOM 0 HB2 TRP A 8 -0.782 -2.848 -1.131 1.00 0.00 H new ATOM 0 HB3 TRP A 8 -0.698 -1.099 -1.052 1.00 0.00 H new ATOM 0 HD1 TRP A 8 0.216 -0.020 -3.174 1.00 0.00 H new ATOM 0 HE1 TRP A 8 1.750 -0.695 -5.139 1.00 0.00 H new ATOM 0 HE3 TRP A 8 1.566 -4.659 -1.563 1.00 0.00 H new ATOM 0 HZ2 TRP A 8 3.358 -2.973 -5.878 1.00 0.00 H new ATOM 0 HZ3 TRP A 8 3.109 -6.061 -2.903 1.00 0.00 H new ATOM 0 HH2 TRP A 8 4.000 -5.228 -5.063 1.00 0.00 H new ATOM 155 N TRP A 9 1.939 -0.167 -0.847 1.00 0.00 N ATOM 156 CA TRP A 9 3.105 0.706 -1.135 1.00 0.00 C ATOM 157 C TRP A 9 3.909 0.981 0.142 1.00 0.00 C ATOM 158 O TRP A 9 5.075 1.317 0.088 1.00 0.00 O ATOM 159 CB TRP A 9 2.506 1.993 -1.695 1.00 0.00 C ATOM 160 CG TRP A 9 3.596 2.820 -2.292 1.00 0.00 C ATOM 161 CD1 TRP A 9 3.935 2.843 -3.601 1.00 0.00 C ATOM 162 CD2 TRP A 9 4.497 3.737 -1.619 1.00 0.00 C ATOM 163 NE1 TRP A 9 4.989 3.725 -3.772 1.00 0.00 N ATOM 164 CE2 TRP A 9 5.371 4.300 -2.575 1.00 0.00 C ATOM 165 CE3 TRP A 9 4.632 4.126 -0.281 1.00 0.00 C ATOM 166 CZ2 TRP A 9 6.351 5.225 -2.210 1.00 0.00 C ATOM 167 CZ3 TRP A 9 5.614 5.055 0.095 1.00 0.00 C ATOM 168 CH2 TRP A 9 6.474 5.604 -0.869 1.00 0.00 C ATOM 0 H TRP A 9 1.052 0.152 -1.238 1.00 0.00 H new ATOM 0 HA TRP A 9 3.800 0.244 -1.836 1.00 0.00 H new ATOM 0 HB2 TRP A 9 1.754 1.761 -2.449 1.00 0.00 H new ATOM 0 HB3 TRP A 9 2.003 2.549 -0.904 1.00 0.00 H new ATOM 0 HD1 TRP A 9 3.462 2.269 -4.384 1.00 0.00 H new ATOM 0 HE1 TRP A 9 5.429 3.925 -4.670 1.00 0.00 H new ATOM 0 HE3 TRP A 9 3.975 3.708 0.468 1.00 0.00 H new ATOM 0 HZ2 TRP A 9 7.009 5.645 -2.957 1.00 0.00 H new ATOM 0 HZ3 TRP A 9 5.709 5.349 1.130 1.00 0.00 H new ATOM 0 HH2 TRP A 9 7.230 6.318 -0.576 1.00 0.00 H new ATOM 179 N ALA A 10 3.304 0.834 1.290 1.00 0.00 N ATOM 180 CA ALA A 10 4.048 1.082 2.560 1.00 0.00 C ATOM 181 C ALA A 10 4.949 -0.113 2.881 1.00 0.00 C ATOM 182 O ALA A 10 6.156 0.008 2.940 1.00 0.00 O ATOM 183 CB ALA A 10 2.970 1.251 3.628 1.00 0.00 C ATOM 0 H ALA A 10 2.330 0.554 1.404 1.00 0.00 H new ATOM 0 HA ALA A 10 4.693 1.958 2.499 1.00 0.00 H new ATOM 0 HB1 ALA A 10 3.440 1.437 4.593 1.00 0.00 H new ATOM 0 HB2 ALA A 10 2.329 2.093 3.368 1.00 0.00 H new ATOM 0 HB3 ALA A 10 2.370 0.343 3.686 1.00 0.00 H new ATOM 189 N TRP A 11 4.375 -1.268 3.081 1.00 0.00 N ATOM 190 CA TRP A 11 5.208 -2.466 3.388 1.00 0.00 C ATOM 191 C TRP A 11 6.396 -2.526 2.426 1.00 0.00 C ATOM 192 O TRP A 11 7.515 -2.807 2.805 1.00 0.00 O ATOM 193 CB TRP A 11 4.266 -3.667 3.169 1.00 0.00 C ATOM 194 CG TRP A 11 4.520 -4.305 1.827 1.00 0.00 C ATOM 195 CD1 TRP A 11 3.733 -4.174 0.738 1.00 0.00 C ATOM 196 CD2 TRP A 11 5.634 -5.150 1.421 1.00 0.00 C ATOM 197 NE1 TRP A 11 4.281 -4.899 -0.303 1.00 0.00 N ATOM 198 CE2 TRP A 11 5.455 -5.518 0.068 1.00 0.00 C ATOM 199 CE3 TRP A 11 6.766 -5.632 2.091 1.00 0.00 C ATOM 200 CZ2 TRP A 11 6.368 -6.338 -0.596 1.00 0.00 C ATOM 201 CZ3 TRP A 11 7.691 -6.457 1.429 1.00 0.00 C ATOM 202 CH2 TRP A 11 7.492 -6.810 0.087 1.00 0.00 C ATOM 0 H TRP A 11 3.369 -1.434 3.045 1.00 0.00 H new ATOM 0 HA TRP A 11 5.615 -2.451 4.399 1.00 0.00 H new ATOM 0 HB2 TRP A 11 4.415 -4.401 3.961 1.00 0.00 H new ATOM 0 HB3 TRP A 11 3.229 -3.338 3.230 1.00 0.00 H new ATOM 0 HD1 TRP A 11 2.822 -3.596 0.688 1.00 0.00 H new ATOM 0 HE1 TRP A 11 3.867 -4.968 -1.233 1.00 0.00 H new ATOM 0 HE3 TRP A 11 6.929 -5.367 3.125 1.00 0.00 H new ATOM 0 HZ2 TRP A 11 6.207 -6.606 -1.630 1.00 0.00 H new ATOM 0 HZ3 TRP A 11 8.560 -6.821 1.957 1.00 0.00 H new ATOM 0 HH2 TRP A 11 8.205 -7.445 -0.418 1.00 0.00 H new ATOM 213 N ARG A 12 6.131 -2.287 1.175 1.00 0.00 N ATOM 214 CA ARG A 12 7.205 -2.351 0.150 1.00 0.00 C ATOM 215 C ARG A 12 8.496 -1.730 0.689 1.00 0.00 C ATOM 216 O ARG A 12 9.585 -2.175 0.384 1.00 0.00 O ATOM 217 CB ARG A 12 6.676 -1.550 -1.041 1.00 0.00 C ATOM 218 CG ARG A 12 5.499 -2.300 -1.686 1.00 0.00 C ATOM 219 CD ARG A 12 5.423 -1.986 -3.186 1.00 0.00 C ATOM 220 NE ARG A 12 5.760 -0.536 -3.312 1.00 0.00 N ATOM 221 CZ ARG A 12 6.962 -0.174 -3.668 1.00 0.00 C ATOM 222 NH1 ARG A 12 7.522 -0.710 -4.716 1.00 0.00 N ATOM 223 NH2 ARG A 12 7.604 0.727 -2.974 1.00 0.00 N ATOM 0 H ARG A 12 5.207 -2.048 0.815 1.00 0.00 H new ATOM 0 HA ARG A 12 7.443 -3.378 -0.128 1.00 0.00 H new ATOM 0 HB2 ARG A 12 6.354 -0.561 -0.713 1.00 0.00 H new ATOM 0 HB3 ARG A 12 7.470 -1.400 -1.773 1.00 0.00 H new ATOM 0 HG2 ARG A 12 5.618 -3.373 -1.538 1.00 0.00 H new ATOM 0 HG3 ARG A 12 4.566 -2.013 -1.200 1.00 0.00 H new ATOM 0 HD2 ARG A 12 6.123 -2.601 -3.751 1.00 0.00 H new ATOM 0 HD3 ARG A 12 4.428 -2.192 -3.580 1.00 0.00 H new ATOM 0 HE ARG A 12 5.050 0.171 -3.120 1.00 0.00 H new ATOM 0 HH11 ARG A 12 7.021 -1.413 -5.259 1.00 0.00 H new ATOM 0 HH12 ARG A 12 8.462 -0.426 -4.993 1.00 0.00 H new ATOM 0 HH21 ARG A 12 7.166 1.147 -2.154 1.00 0.00 H new ATOM 0 HH22 ARG A 12 8.544 1.011 -3.252 1.00 0.00 H new ATOM 237 N ARG A 13 8.385 -0.705 1.489 1.00 0.00 N ATOM 238 CA ARG A 13 9.607 -0.057 2.046 1.00 0.00 C ATOM 239 C ARG A 13 10.348 -1.031 2.967 1.00 0.00 C ATOM 240 O ARG A 13 11.484 -1.381 2.718 1.00 0.00 O ATOM 241 CB ARG A 13 9.091 1.145 2.838 1.00 0.00 C ATOM 242 CG ARG A 13 10.275 1.954 3.369 1.00 0.00 C ATOM 243 CD ARG A 13 10.068 3.438 3.043 1.00 0.00 C ATOM 244 NE ARG A 13 10.515 3.588 1.629 1.00 0.00 N ATOM 245 CZ ARG A 13 11.752 3.914 1.368 1.00 0.00 C ATOM 246 NH1 ARG A 13 12.099 5.171 1.318 1.00 0.00 N ATOM 247 NH2 ARG A 13 12.641 2.983 1.157 1.00 0.00 N ATOM 0 H ARG A 13 7.501 -0.288 1.781 1.00 0.00 H new ATOM 0 HA ARG A 13 10.310 0.240 1.268 1.00 0.00 H new ATOM 0 HB2 ARG A 13 8.465 1.771 2.202 1.00 0.00 H new ATOM 0 HB3 ARG A 13 8.467 0.808 3.666 1.00 0.00 H new ATOM 0 HG2 ARG A 13 10.369 1.817 4.446 1.00 0.00 H new ATOM 0 HG3 ARG A 13 11.203 1.598 2.921 1.00 0.00 H new ATOM 0 HD2 ARG A 13 9.023 3.726 3.159 1.00 0.00 H new ATOM 0 HD3 ARG A 13 10.650 4.074 3.710 1.00 0.00 H new ATOM 0 HE ARG A 13 9.855 3.436 0.866 1.00 0.00 H new ATOM 0 HH11 ARG A 13 11.404 5.899 1.483 1.00 0.00 H new ATOM 0 HH12 ARG A 13 13.065 5.426 1.114 1.00 0.00 H new ATOM 0 HH21 ARG A 13 12.370 2.001 1.196 1.00 0.00 H new ATOM 0 HH22 ARG A 13 13.607 3.238 0.953 1.00 0.00 H new HETATM 261 N NH2 A 14 9.745 -1.487 4.031 1.00 0.00 N TER 264 NH2 A 14