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+ -113:sc= 0.0622 (180deg=-0.545) USER MOD Single : A 5 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD ----------------------------------------------------------------- ATOM 1 N ILE A 1 -13.275 2.857 8.984 1.00 0.00 N ATOM 2 CA ILE A 1 -12.354 3.399 7.943 1.00 0.00 C ATOM 3 C ILE A 1 -11.997 2.305 6.933 1.00 0.00 C ATOM 4 O ILE A 1 -12.301 1.145 7.127 1.00 0.00 O ATOM 5 CB ILE A 1 -11.112 3.850 8.711 1.00 0.00 C ATOM 6 CG1 ILE A 1 -10.239 4.717 7.802 1.00 0.00 C ATOM 7 CG2 ILE A 1 -10.316 2.624 9.162 1.00 0.00 C ATOM 8 CD1 ILE A 1 -11.079 5.854 7.221 1.00 0.00 C ATOM 0 H1 ILE A 1 -14.207 3.309 8.892 1.00 0.00 H new ATOM 0 H2 ILE A 1 -13.374 1.829 8.859 1.00 0.00 H new ATOM 0 H3 ILE A 1 -12.886 3.055 9.928 1.00 0.00 H new ATOM 0 HA ILE A 1 -12.802 4.217 7.378 1.00 0.00 H new ATOM 0 HB ILE A 1 -11.415 4.427 9.585 1.00 0.00 H new ATOM 0 HG12 ILE A 1 -9.399 5.123 8.366 1.00 0.00 H new ATOM 0 HG13 ILE A 1 -9.820 4.112 6.998 1.00 0.00 H new ATOM 0 HG21 ILE A 1 -9.430 2.946 9.710 1.00 0.00 H new ATOM 0 HG22 ILE A 1 -10.937 2.005 9.809 1.00 0.00 H new ATOM 0 HG23 ILE A 1 -10.012 2.046 8.289 1.00 0.00 H new ATOM 0 HD11 ILE A 1 -10.457 6.472 6.573 1.00 0.00 H new ATOM 0 HD12 ILE A 1 -11.904 5.438 6.643 1.00 0.00 H new ATOM 0 HD13 ILE A 1 -11.476 6.464 8.032 1.00 0.00 H new ATOM 22 N LEU A 2 -11.354 2.665 5.856 1.00 0.00 N ATOM 23 CA LEU A 2 -10.979 1.644 4.835 1.00 0.00 C ATOM 24 C LEU A 2 -9.458 1.602 4.665 1.00 0.00 C ATOM 25 O LEU A 2 -8.746 2.467 5.135 1.00 0.00 O ATOM 26 CB LEU A 2 -11.651 2.111 3.543 1.00 0.00 C ATOM 27 CG LEU A 2 -12.036 0.894 2.701 1.00 0.00 C ATOM 28 CD1 LEU A 2 -13.522 0.587 2.897 1.00 0.00 C ATOM 29 CD2 LEU A 2 -11.767 1.191 1.223 1.00 0.00 C ATOM 0 H LEU A 2 -11.072 3.621 5.638 1.00 0.00 H new ATOM 0 HA LEU A 2 -11.295 0.640 5.118 1.00 0.00 H new ATOM 0 HB2 LEU A 2 -12.537 2.702 3.774 1.00 0.00 H new ATOM 0 HB3 LEU A 2 -10.975 2.756 2.982 1.00 0.00 H new ATOM 0 HG LEU A 2 -11.443 0.034 3.013 1.00 0.00 H new ATOM 0 HD11 LEU A 2 -13.797 -0.280 2.297 1.00 0.00 H new ATOM 0 HD12 LEU A 2 -13.714 0.376 3.949 1.00 0.00 H new ATOM 0 HD13 LEU A 2 -14.115 1.446 2.585 1.00 0.00 H new ATOM 0 HD21 LEU A 2 -12.041 0.324 0.622 1.00 0.00 H new ATOM 0 HD22 LEU A 2 -12.360 2.051 0.911 1.00 0.00 H new ATOM 0 HD23 LEU A 2 -10.708 1.410 1.083 1.00 0.00 H new ATOM 41 N ALA A 3 -8.954 0.601 3.994 1.00 0.00 N ATOM 42 CA ALA A 3 -7.482 0.500 3.788 1.00 0.00 C ATOM 43 C ALA A 3 -7.126 -0.884 3.239 1.00 0.00 C ATOM 44 O ALA A 3 -7.676 -1.888 3.648 1.00 0.00 O ATOM 45 CB ALA A 3 -6.862 0.700 5.170 1.00 0.00 C ATOM 0 H ALA A 3 -9.501 -0.153 3.579 1.00 0.00 H new ATOM 0 HA ALA A 3 -7.117 1.237 3.073 1.00 0.00 H new ATOM 0 HB1 ALA A 3 -5.776 0.638 5.094 1.00 0.00 H new ATOM 0 HB2 ALA A 3 -7.143 1.679 5.557 1.00 0.00 H new ATOM 0 HB3 ALA A 3 -7.223 -0.075 5.846 1.00 0.00 H new ATOM 51 N TRP A 4 -6.209 -0.940 2.320 1.00 0.00 N ATOM 52 CA TRP A 4 -5.800 -2.250 1.730 1.00 0.00 C ATOM 53 C TRP A 4 -4.908 -2.005 0.515 1.00 0.00 C ATOM 54 O TRP A 4 -3.767 -2.419 0.472 1.00 0.00 O ATOM 55 CB TRP A 4 -7.100 -2.938 1.311 1.00 0.00 C ATOM 56 CG TRP A 4 -7.177 -4.281 1.963 1.00 0.00 C ATOM 57 CD1 TRP A 4 -8.115 -4.654 2.863 1.00 0.00 C ATOM 58 CD2 TRP A 4 -6.301 -5.431 1.783 1.00 0.00 C ATOM 59 NE1 TRP A 4 -7.871 -5.961 3.247 1.00 0.00 N ATOM 60 CE2 TRP A 4 -6.764 -6.483 2.607 1.00 0.00 C ATOM 61 CE3 TRP A 4 -5.161 -5.662 0.991 1.00 0.00 C ATOM 62 CZ2 TRP A 4 -6.120 -7.720 2.647 1.00 0.00 C ATOM 63 CZ3 TRP A 4 -4.509 -6.906 1.028 1.00 0.00 C ATOM 64 CH2 TRP A 4 -4.988 -7.933 1.854 1.00 0.00 C ATOM 0 H TRP A 4 -5.717 -0.129 1.945 1.00 0.00 H new ATOM 0 HA TRP A 4 -5.237 -2.863 2.434 1.00 0.00 H new ATOM 0 HB2 TRP A 4 -7.957 -2.330 1.601 1.00 0.00 H new ATOM 0 HB3 TRP A 4 -7.136 -3.044 0.227 1.00 0.00 H new ATOM 0 HD1 TRP A 4 -8.922 -4.034 3.223 1.00 0.00 H new ATOM 0 HE1 TRP A 4 -8.439 -6.476 3.920 1.00 0.00 H new ATOM 0 HE3 TRP A 4 -4.785 -4.878 0.351 1.00 0.00 H new ATOM 0 HZ2 TRP A 4 -6.493 -8.507 3.286 1.00 0.00 H new ATOM 0 HZ3 TRP A 4 -3.634 -7.072 0.417 1.00 0.00 H new ATOM 0 HH2 TRP A 4 -4.483 -8.887 1.878 1.00 0.00 H new ATOM 75 N LYS A 5 -5.419 -1.315 -0.466 1.00 0.00 N ATOM 76 CA LYS A 5 -4.601 -1.021 -1.676 1.00 0.00 C ATOM 77 C LYS A 5 -3.492 -0.023 -1.321 1.00 0.00 C ATOM 78 O LYS A 5 -2.646 0.296 -2.132 1.00 0.00 O ATOM 79 CB LYS A 5 -5.579 -0.402 -2.677 1.00 0.00 C ATOM 80 CG LYS A 5 -6.436 -1.506 -3.301 1.00 0.00 C ATOM 81 CD LYS A 5 -5.844 -1.911 -4.652 1.00 0.00 C ATOM 82 CE LYS A 5 -6.409 -3.271 -5.069 1.00 0.00 C ATOM 83 NZ LYS A 5 -6.114 -3.379 -6.525 1.00 0.00 N ATOM 0 H LYS A 5 -6.368 -0.942 -0.482 1.00 0.00 H new ATOM 0 HA LYS A 5 -4.119 -1.911 -2.080 1.00 0.00 H new ATOM 0 HB2 LYS A 5 -6.215 0.328 -2.176 1.00 0.00 H new ATOM 0 HB3 LYS A 5 -5.032 0.132 -3.454 1.00 0.00 H new ATOM 0 HG2 LYS A 5 -6.476 -2.369 -2.636 1.00 0.00 H new ATOM 0 HG3 LYS A 5 -7.460 -1.156 -3.431 1.00 0.00 H new ATOM 0 HD2 LYS A 5 -6.082 -1.160 -5.405 1.00 0.00 H new ATOM 0 HD3 LYS A 5 -4.757 -1.962 -4.584 1.00 0.00 H new ATOM 0 HE2 LYS A 5 -5.941 -4.081 -4.510 1.00 0.00 H new ATOM 0 HE3 LYS A 5 -7.481 -3.329 -4.878 1.00 0.00 H new ATOM 0 HZ1 LYS A 5 -6.472 -4.287 -6.885 1.00 0.00 H new ATOM 0 HZ2 LYS A 5 -6.578 -2.598 -7.032 1.00 0.00 H new ATOM 0 HZ3 LYS A 5 -5.086 -3.327 -6.676 1.00 0.00 H new ATOM 97 N TRP A 6 -3.489 0.462 -0.108 1.00 0.00 N ATOM 98 CA TRP A 6 -2.428 1.433 0.308 1.00 0.00 C ATOM 99 C TRP A 6 -1.181 0.669 0.760 1.00 0.00 C ATOM 100 O TRP A 6 -0.077 0.955 0.341 1.00 0.00 O ATOM 101 CB TRP A 6 -3.014 2.233 1.481 1.00 0.00 C ATOM 102 CG TRP A 6 -2.890 3.697 1.196 1.00 0.00 C ATOM 103 CD1 TRP A 6 -3.895 4.597 1.303 1.00 0.00 C ATOM 104 CD2 TRP A 6 -1.715 4.443 0.763 1.00 0.00 C ATOM 105 NE1 TRP A 6 -3.411 5.848 0.962 1.00 0.00 N ATOM 106 CE2 TRP A 6 -2.074 5.805 0.622 1.00 0.00 C ATOM 107 CE3 TRP A 6 -0.387 4.076 0.481 1.00 0.00 C ATOM 108 CZ2 TRP A 6 -1.149 6.767 0.217 1.00 0.00 C ATOM 109 CZ3 TRP A 6 0.547 5.042 0.072 1.00 0.00 C ATOM 110 CH2 TRP A 6 0.167 6.384 -0.060 1.00 0.00 C ATOM 0 H TRP A 6 -4.172 0.230 0.613 1.00 0.00 H new ATOM 0 HA TRP A 6 -2.139 2.091 -0.512 1.00 0.00 H new ATOM 0 HB2 TRP A 6 -4.061 1.968 1.629 1.00 0.00 H new ATOM 0 HB3 TRP A 6 -2.488 1.985 2.403 1.00 0.00 H new ATOM 0 HD1 TRP A 6 -4.908 4.375 1.605 1.00 0.00 H new ATOM 0 HE1 TRP A 6 -3.974 6.699 0.962 1.00 0.00 H new ATOM 0 HE3 TRP A 6 -0.083 3.044 0.580 1.00 0.00 H new ATOM 0 HZ2 TRP A 6 -1.447 7.800 0.118 1.00 0.00 H new ATOM 0 HZ3 TRP A 6 1.564 4.749 -0.142 1.00 0.00 H new ATOM 0 HH2 TRP A 6 0.890 7.122 -0.375 1.00 0.00 H new ATOM 121 N ALA A 7 -1.351 -0.303 1.614 1.00 0.00 N ATOM 122 CA ALA A 7 -0.182 -1.091 2.098 1.00 0.00 C ATOM 123 C ALA A 7 0.671 -1.556 0.915 1.00 0.00 C ATOM 124 O ALA A 7 1.868 -1.732 1.033 1.00 0.00 O ATOM 125 CB ALA A 7 -0.792 -2.290 2.825 1.00 0.00 C ATOM 0 H ALA A 7 -2.252 -0.586 1.999 1.00 0.00 H new ATOM 0 HA ALA A 7 0.471 -0.508 2.747 1.00 0.00 H new ATOM 0 HB1 ALA A 7 0.005 -2.924 3.214 1.00 0.00 H new ATOM 0 HB2 ALA A 7 -1.411 -1.939 3.650 1.00 0.00 H new ATOM 0 HB3 ALA A 7 -1.405 -2.864 2.130 1.00 0.00 H new ATOM 131 N TRP A 8 0.066 -1.755 -0.222 1.00 0.00 N ATOM 132 CA TRP A 8 0.842 -2.211 -1.412 1.00 0.00 C ATOM 133 C TRP A 8 2.072 -1.326 -1.610 1.00 0.00 C ATOM 134 O TRP A 8 3.159 -1.646 -1.177 1.00 0.00 O ATOM 135 CB TRP A 8 -0.121 -2.059 -2.596 1.00 0.00 C ATOM 136 CG TRP A 8 0.646 -1.963 -3.888 1.00 0.00 C ATOM 137 CD1 TRP A 8 0.636 -0.900 -4.724 1.00 0.00 C ATOM 138 CD2 TRP A 8 1.529 -2.947 -4.499 1.00 0.00 C ATOM 139 NE1 TRP A 8 1.443 -1.174 -5.813 1.00 0.00 N ATOM 140 CE2 TRP A 8 2.016 -2.423 -5.721 1.00 0.00 C ATOM 141 CE3 TRP A 8 1.947 -4.230 -4.120 1.00 0.00 C ATOM 142 CZ2 TRP A 8 2.885 -3.150 -6.536 1.00 0.00 C ATOM 143 CZ3 TRP A 8 2.823 -4.966 -4.935 1.00 0.00 C ATOM 144 CH2 TRP A 8 3.289 -4.428 -6.142 1.00 0.00 C ATOM 0 H TRP A 8 -0.933 -1.622 -0.380 1.00 0.00 H new ATOM 0 HA TRP A 8 1.199 -3.235 -1.304 1.00 0.00 H new ATOM 0 HB2 TRP A 8 -0.801 -2.910 -2.632 1.00 0.00 H new ATOM 0 HB3 TRP A 8 -0.734 -1.167 -2.462 1.00 0.00 H new ATOM 0 HD1 TRP A 8 0.086 0.016 -4.566 1.00 0.00 H new ATOM 0 HE1 TRP A 8 1.595 -0.530 -6.589 1.00 0.00 H new ATOM 0 HE3 TRP A 8 1.593 -4.656 -3.193 1.00 0.00 H new ATOM 0 HZ2 TRP A 8 3.242 -2.728 -7.464 1.00 0.00 H new ATOM 0 HZ3 TRP A 8 3.139 -5.952 -4.629 1.00 0.00 H new ATOM 0 HH2 TRP A 8 3.959 -5.000 -6.766 1.00 0.00 H new ATOM 155 N TRP A 9 1.901 -0.221 -2.277 1.00 0.00 N ATOM 156 CA TRP A 9 3.050 0.683 -2.531 1.00 0.00 C ATOM 157 C TRP A 9 3.886 0.873 -1.259 1.00 0.00 C ATOM 158 O TRP A 9 5.058 1.188 -1.320 1.00 0.00 O ATOM 159 CB TRP A 9 2.424 2.002 -2.981 1.00 0.00 C ATOM 160 CG TRP A 9 3.487 2.883 -3.549 1.00 0.00 C ATOM 161 CD1 TRP A 9 3.789 3.001 -4.861 1.00 0.00 C ATOM 162 CD2 TRP A 9 4.396 3.763 -2.839 1.00 0.00 C ATOM 163 NE1 TRP A 9 4.828 3.904 -5.000 1.00 0.00 N ATOM 164 CE2 TRP A 9 5.237 4.402 -3.777 1.00 0.00 C ATOM 165 CE3 TRP A 9 4.565 4.061 -1.482 1.00 0.00 C ATOM 166 CZ2 TRP A 9 6.217 5.312 -3.376 1.00 0.00 C ATOM 167 CZ3 TRP A 9 5.547 4.974 -1.070 1.00 0.00 C ATOM 168 CH2 TRP A 9 6.374 5.599 -2.016 1.00 0.00 C ATOM 0 H TRP A 9 1.009 0.095 -2.658 1.00 0.00 H new ATOM 0 HA TRP A 9 3.730 0.281 -3.282 1.00 0.00 H new ATOM 0 HB2 TRP A 9 1.652 1.816 -3.728 1.00 0.00 H new ATOM 0 HB3 TRP A 9 1.939 2.494 -2.138 1.00 0.00 H new ATOM 0 HD1 TRP A 9 3.300 2.477 -5.668 1.00 0.00 H new ATOM 0 HE1 TRP A 9 5.241 4.169 -5.894 1.00 0.00 H new ATOM 0 HE3 TRP A 9 3.934 3.584 -0.746 1.00 0.00 H new ATOM 0 HZ2 TRP A 9 6.849 5.790 -4.110 1.00 0.00 H new ATOM 0 HZ3 TRP A 9 5.667 5.197 -0.020 1.00 0.00 H new ATOM 0 HH2 TRP A 9 7.130 6.300 -1.695 1.00 0.00 H new ATOM 179 N ALA A 10 3.301 0.675 -0.108 1.00 0.00 N ATOM 180 CA ALA A 10 4.077 0.838 1.158 1.00 0.00 C ATOM 181 C ALA A 10 4.994 -0.370 1.364 1.00 0.00 C ATOM 182 O ALA A 10 6.201 -0.245 1.394 1.00 0.00 O ATOM 183 CB ALA A 10 3.025 0.916 2.263 1.00 0.00 C ATOM 0 H ALA A 10 2.324 0.409 0.011 1.00 0.00 H new ATOM 0 HA ALA A 10 4.713 1.723 1.147 1.00 0.00 H new ATOM 0 HB1 ALA A 10 3.519 1.037 3.227 1.00 0.00 H new ATOM 0 HB2 ALA A 10 2.370 1.768 2.082 1.00 0.00 H new ATOM 0 HB3 ALA A 10 2.435 -0.001 2.269 1.00 0.00 H new ATOM 189 N TRP A 11 4.432 -1.540 1.497 1.00 0.00 N ATOM 190 CA TRP A 11 5.280 -2.749 1.689 1.00 0.00 C ATOM 191 C TRP A 11 6.427 -2.737 0.679 1.00 0.00 C ATOM 192 O TRP A 11 7.564 -3.018 1.000 1.00 0.00 O ATOM 193 CB TRP A 11 4.334 -3.940 1.434 1.00 0.00 C ATOM 194 CG TRP A 11 4.595 -4.547 0.082 1.00 0.00 C ATOM 195 CD1 TRP A 11 3.745 -4.510 -0.965 1.00 0.00 C ATOM 196 CD2 TRP A 11 5.780 -5.256 -0.384 1.00 0.00 C ATOM 197 NE1 TRP A 11 4.319 -5.171 -2.036 1.00 0.00 N ATOM 198 CE2 TRP A 11 5.575 -5.648 -1.727 1.00 0.00 C ATOM 199 CE3 TRP A 11 6.994 -5.599 0.225 1.00 0.00 C ATOM 200 CZ2 TRP A 11 6.544 -6.357 -2.440 1.00 0.00 C ATOM 201 CZ3 TRP A 11 7.974 -6.311 -0.486 1.00 0.00 C ATOM 202 CH2 TRP A 11 7.748 -6.690 -1.816 1.00 0.00 C ATOM 0 H TRP A 11 3.426 -1.710 1.481 1.00 0.00 H new ATOM 0 HA TRP A 11 5.729 -2.798 2.681 1.00 0.00 H new ATOM 0 HB2 TRP A 11 4.473 -4.693 2.209 1.00 0.00 H new ATOM 0 HB3 TRP A 11 3.298 -3.607 1.495 1.00 0.00 H new ATOM 0 HD1 TRP A 11 2.773 -4.040 -0.967 1.00 0.00 H new ATOM 0 HE1 TRP A 11 3.868 -5.291 -2.943 1.00 0.00 H new ATOM 0 HE3 TRP A 11 7.178 -5.313 1.250 1.00 0.00 H new ATOM 0 HZ2 TRP A 11 6.364 -6.645 -3.465 1.00 0.00 H new ATOM 0 HZ3 TRP A 11 8.906 -6.568 -0.005 1.00 0.00 H new ATOM 0 HH2 TRP A 11 8.504 -7.239 -2.358 1.00 0.00 H new ATOM 213 N ARG A 12 6.108 -2.436 -0.550 1.00 0.00 N ATOM 214 CA ARG A 12 7.141 -2.423 -1.620 1.00 0.00 C ATOM 215 C ARG A 12 8.462 -1.865 -1.084 1.00 0.00 C ATOM 216 O ARG A 12 9.531 -2.311 -1.449 1.00 0.00 O ATOM 217 CB ARG A 12 6.580 -1.507 -2.706 1.00 0.00 C ATOM 218 CG ARG A 12 5.345 -2.152 -3.343 1.00 0.00 C ATOM 219 CD ARG A 12 4.885 -1.306 -4.532 1.00 0.00 C ATOM 220 NE ARG A 12 5.593 -1.884 -5.710 1.00 0.00 N ATOM 221 CZ ARG A 12 6.649 -1.288 -6.192 1.00 0.00 C ATOM 222 NH1 ARG A 12 6.693 0.014 -6.257 1.00 0.00 N ATOM 223 NH2 ARG A 12 7.664 -1.996 -6.607 1.00 0.00 N ATOM 0 H ARG A 12 5.166 -2.196 -0.860 1.00 0.00 H new ATOM 0 HA ARG A 12 7.350 -3.425 -1.996 1.00 0.00 H new ATOM 0 HB2 ARG A 12 6.316 -0.540 -2.278 1.00 0.00 H new ATOM 0 HB3 ARG A 12 7.339 -1.323 -3.467 1.00 0.00 H new ATOM 0 HG2 ARG A 12 5.579 -3.164 -3.672 1.00 0.00 H new ATOM 0 HG3 ARG A 12 4.544 -2.233 -2.608 1.00 0.00 H new ATOM 0 HD2 ARG A 12 3.803 -1.356 -4.657 1.00 0.00 H new ATOM 0 HD3 ARG A 12 5.142 -0.256 -4.393 1.00 0.00 H new ATOM 0 HE ARG A 12 5.252 -2.745 -6.139 1.00 0.00 H new ATOM 0 HH11 ARG A 12 5.901 0.568 -5.931 1.00 0.00 H new ATOM 0 HH12 ARG A 12 7.519 0.478 -6.634 1.00 0.00 H new ATOM 0 HH21 ARG A 12 7.631 -3.014 -6.554 1.00 0.00 H new ATOM 0 HH22 ARG A 12 8.490 -1.531 -6.984 1.00 0.00 H new ATOM 237 N ARG A 13 8.393 -0.890 -0.219 1.00 0.00 N ATOM 238 CA ARG A 13 9.640 -0.298 0.344 1.00 0.00 C ATOM 239 C ARG A 13 10.222 -1.215 1.423 1.00 0.00 C ATOM 240 O ARG A 13 11.422 -1.378 1.522 1.00 0.00 O ATOM 241 CB ARG A 13 9.201 1.036 0.951 1.00 0.00 C ATOM 242 CG ARG A 13 10.428 1.917 1.193 1.00 0.00 C ATOM 243 CD ARG A 13 10.129 3.347 0.732 1.00 0.00 C ATOM 244 NE ARG A 13 10.463 3.361 -0.722 1.00 0.00 N ATOM 245 CZ ARG A 13 11.670 3.671 -1.109 1.00 0.00 C ATOM 246 NH1 ARG A 13 12.148 4.861 -0.865 1.00 0.00 N ATOM 247 NH2 ARG A 13 12.400 2.793 -1.740 1.00 0.00 N ATOM 0 H ARG A 13 7.525 -0.477 0.123 1.00 0.00 H new ATOM 0 HA ARG A 13 10.415 -0.168 -0.411 1.00 0.00 H new ATOM 0 HB2 ARG A 13 8.505 1.541 0.281 1.00 0.00 H new ATOM 0 HB3 ARG A 13 8.673 0.864 1.889 1.00 0.00 H new ATOM 0 HG2 ARG A 13 10.690 1.912 2.251 1.00 0.00 H new ATOM 0 HG3 ARG A 13 11.286 1.521 0.651 1.00 0.00 H new ATOM 0 HD2 ARG A 13 9.083 3.605 0.899 1.00 0.00 H new ATOM 0 HD3 ARG A 13 10.728 4.073 1.282 1.00 0.00 H new ATOM 0 HE ARG A 13 9.749 3.129 -1.412 1.00 0.00 H new ATOM 0 HH11 ARG A 13 11.578 5.548 -0.372 1.00 0.00 H new ATOM 0 HH12 ARG A 13 13.091 5.103 -1.167 1.00 0.00 H new ATOM 0 HH21 ARG A 13 12.027 1.863 -1.931 1.00 0.00 H new ATOM 0 HH22 ARG A 13 13.343 3.037 -2.042 1.00 0.00 H new HETATM 261 N NH2 A 14 9.413 -1.828 2.243 1.00 0.00 N TER 264 NH2 A 14