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+ -117:sc= 0.042 (180deg=-0.588) USER MOD Single : A 5 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD ----------------------------------------------------------------- ATOM 1 N ILE A 1 -8.735 1.879 0.440 1.00 0.00 N ATOM 2 CA ILE A 1 -9.502 2.297 1.649 1.00 0.00 C ATOM 3 C ILE A 1 -8.548 2.540 2.822 1.00 0.00 C ATOM 4 O ILE A 1 -7.371 2.251 2.745 1.00 0.00 O ATOM 5 CB ILE A 1 -10.436 1.125 1.952 1.00 0.00 C ATOM 6 CG1 ILE A 1 -11.488 1.565 2.973 1.00 0.00 C ATOM 7 CG2 ILE A 1 -9.625 -0.038 2.528 1.00 0.00 C ATOM 8 CD1 ILE A 1 -12.826 0.899 2.646 1.00 0.00 C ATOM 0 H1 ILE A 1 -8.856 2.589 -0.310 1.00 0.00 H new ATOM 0 H2 ILE A 1 -7.726 1.797 0.680 1.00 0.00 H new ATOM 0 H3 ILE A 1 -9.087 0.959 0.106 1.00 0.00 H new ATOM 0 HA ILE A 1 -10.052 3.224 1.489 1.00 0.00 H new ATOM 0 HB ILE A 1 -10.929 0.806 1.034 1.00 0.00 H new ATOM 0 HG12 ILE A 1 -11.170 1.292 3.979 1.00 0.00 H new ATOM 0 HG13 ILE A 1 -11.596 2.650 2.956 1.00 0.00 H new ATOM 0 HG21 ILE A 1 -10.290 -0.874 2.744 1.00 0.00 H new ATOM 0 HG22 ILE A 1 -8.873 -0.351 1.804 1.00 0.00 H new ATOM 0 HG23 ILE A 1 -9.133 0.281 3.447 1.00 0.00 H new ATOM 0 HD11 ILE A 1 -13.576 1.212 3.373 1.00 0.00 H new ATOM 0 HD12 ILE A 1 -13.145 1.194 1.646 1.00 0.00 H new ATOM 0 HD13 ILE A 1 -12.712 -0.184 2.686 1.00 0.00 H new ATOM 22 N LEU A 2 -9.048 3.066 3.905 1.00 0.00 N ATOM 23 CA LEU A 2 -8.168 3.323 5.081 1.00 0.00 C ATOM 24 C LEU A 2 -8.336 2.210 6.117 1.00 0.00 C ATOM 25 O LEU A 2 -9.184 1.350 5.987 1.00 0.00 O ATOM 26 CB LEU A 2 -8.641 4.663 5.645 1.00 0.00 C ATOM 27 CG LEU A 2 -7.625 5.751 5.290 1.00 0.00 C ATOM 28 CD1 LEU A 2 -7.492 5.849 3.770 1.00 0.00 C ATOM 29 CD2 LEU A 2 -8.102 7.093 5.848 1.00 0.00 C ATOM 0 H LEU A 2 -10.026 3.329 4.028 1.00 0.00 H new ATOM 0 HA LEU A 2 -7.112 3.348 4.812 1.00 0.00 H new ATOM 0 HB2 LEU A 2 -9.619 4.917 5.237 1.00 0.00 H new ATOM 0 HB3 LEU A 2 -8.754 4.595 6.727 1.00 0.00 H new ATOM 0 HG LEU A 2 -6.657 5.500 5.723 1.00 0.00 H new ATOM 0 HD11 LEU A 2 -6.768 6.624 3.517 1.00 0.00 H new ATOM 0 HD12 LEU A 2 -7.153 4.892 3.372 1.00 0.00 H new ATOM 0 HD13 LEU A 2 -8.460 6.101 3.336 1.00 0.00 H new ATOM 0 HD21 LEU A 2 -7.379 7.869 5.596 1.00 0.00 H new ATOM 0 HD22 LEU A 2 -9.070 7.344 5.414 1.00 0.00 H new ATOM 0 HD23 LEU A 2 -8.197 7.023 6.932 1.00 0.00 H new ATOM 41 N ALA A 3 -7.530 2.213 7.143 1.00 0.00 N ATOM 42 CA ALA A 3 -7.648 1.145 8.185 1.00 0.00 C ATOM 43 C ALA A 3 -7.325 -0.222 7.569 1.00 0.00 C ATOM 44 O ALA A 3 -7.926 -0.626 6.594 1.00 0.00 O ATOM 45 CB ALA A 3 -9.108 1.193 8.633 1.00 0.00 C ATOM 0 H ALA A 3 -6.797 2.903 7.308 1.00 0.00 H new ATOM 0 HA ALA A 3 -6.960 1.296 9.016 1.00 0.00 H new ATOM 0 HB1 ALA A 3 -9.278 0.437 9.400 1.00 0.00 H new ATOM 0 HB2 ALA A 3 -9.332 2.179 9.040 1.00 0.00 H new ATOM 0 HB3 ALA A 3 -9.757 0.997 7.780 1.00 0.00 H new ATOM 51 N TRP A 4 -6.375 -0.933 8.125 1.00 0.00 N ATOM 52 CA TRP A 4 -6.002 -2.272 7.571 1.00 0.00 C ATOM 53 C TRP A 4 -5.218 -2.102 6.271 1.00 0.00 C ATOM 54 O TRP A 4 -4.134 -2.628 6.112 1.00 0.00 O ATOM 55 CB TRP A 4 -7.321 -3.000 7.315 1.00 0.00 C ATOM 56 CG TRP A 4 -7.232 -4.385 7.869 1.00 0.00 C ATOM 57 CD1 TRP A 4 -8.052 -4.896 8.813 1.00 0.00 C ATOM 58 CD2 TRP A 4 -6.283 -5.439 7.535 1.00 0.00 C ATOM 59 NE1 TRP A 4 -7.671 -6.200 9.078 1.00 0.00 N ATOM 60 CE2 TRP A 4 -6.585 -6.580 8.315 1.00 0.00 C ATOM 61 CE3 TRP A 4 -5.202 -5.515 6.638 1.00 0.00 C ATOM 62 CZ2 TRP A 4 -5.841 -7.756 8.209 1.00 0.00 C ATOM 63 CZ3 TRP A 4 -4.451 -6.696 6.530 1.00 0.00 C ATOM 64 CH2 TRP A 4 -4.770 -7.814 7.313 1.00 0.00 C ATOM 0 H TRP A 4 -5.839 -0.642 8.943 1.00 0.00 H new ATOM 0 HA TRP A 4 -5.368 -2.833 8.257 1.00 0.00 H new ATOM 0 HB2 TRP A 4 -8.145 -2.461 7.782 1.00 0.00 H new ATOM 0 HB3 TRP A 4 -7.529 -3.036 6.246 1.00 0.00 H new ATOM 0 HD1 TRP A 4 -8.871 -4.373 9.284 1.00 0.00 H new ATOM 0 HE1 TRP A 4 -8.136 -6.806 9.754 1.00 0.00 H new ATOM 0 HE3 TRP A 4 -4.948 -4.660 6.029 1.00 0.00 H new ATOM 0 HZ2 TRP A 4 -6.091 -8.615 8.815 1.00 0.00 H new ATOM 0 HZ3 TRP A 4 -3.622 -6.744 5.839 1.00 0.00 H new ATOM 0 HH2 TRP A 4 -4.188 -8.720 7.224 1.00 0.00 H new ATOM 75 N LYS A 5 -5.752 -1.358 5.347 1.00 0.00 N ATOM 76 CA LYS A 5 -5.035 -1.134 4.062 1.00 0.00 C ATOM 77 C LYS A 5 -3.905 -0.125 4.271 1.00 0.00 C ATOM 78 O LYS A 5 -3.176 0.210 3.358 1.00 0.00 O ATOM 79 CB LYS A 5 -6.090 -0.575 3.107 1.00 0.00 C ATOM 80 CG LYS A 5 -5.564 -0.635 1.672 1.00 0.00 C ATOM 81 CD LYS A 5 -6.325 -1.710 0.893 1.00 0.00 C ATOM 82 CE LYS A 5 -5.333 -2.561 0.097 1.00 0.00 C ATOM 83 NZ LYS A 5 -5.923 -2.662 -1.267 1.00 0.00 N ATOM 0 H LYS A 5 -6.657 -0.893 5.425 1.00 0.00 H new ATOM 0 HA LYS A 5 -4.584 -2.046 3.671 1.00 0.00 H new ATOM 0 HB2 LYS A 5 -7.013 -1.149 3.191 1.00 0.00 H new ATOM 0 HB3 LYS A 5 -6.329 0.454 3.375 1.00 0.00 H new ATOM 0 HG2 LYS A 5 -5.686 0.334 1.188 1.00 0.00 H new ATOM 0 HG3 LYS A 5 -4.497 -0.859 1.674 1.00 0.00 H new ATOM 0 HD2 LYS A 5 -6.892 -2.339 1.579 1.00 0.00 H new ATOM 0 HD3 LYS A 5 -7.045 -1.245 0.219 1.00 0.00 H new ATOM 0 HE2 LYS A 5 -4.348 -2.096 0.068 1.00 0.00 H new ATOM 0 HE3 LYS A 5 -5.207 -3.546 0.547 1.00 0.00 H new ATOM 0 HZ1 LYS A 5 -5.300 -3.232 -1.874 1.00 0.00 H new ATOM 0 HZ2 LYS A 5 -6.857 -3.115 -1.208 1.00 0.00 H new ATOM 0 HZ3 LYS A 5 -6.025 -1.710 -1.673 1.00 0.00 H new ATOM 97 N TRP A 6 -3.750 0.355 5.476 1.00 0.00 N ATOM 98 CA TRP A 6 -2.658 1.338 5.754 1.00 0.00 C ATOM 99 C TRP A 6 -1.388 0.594 6.182 1.00 0.00 C ATOM 100 O TRP A 6 -0.314 0.834 5.668 1.00 0.00 O ATOM 101 CB TRP A 6 -3.167 2.230 6.895 1.00 0.00 C ATOM 102 CG TRP A 6 -3.128 3.661 6.460 1.00 0.00 C ATOM 103 CD1 TRP A 6 -4.193 4.499 6.428 1.00 0.00 C ATOM 104 CD2 TRP A 6 -1.985 4.436 5.996 1.00 0.00 C ATOM 105 NE1 TRP A 6 -3.774 5.736 5.972 1.00 0.00 N ATOM 106 CE2 TRP A 6 -2.421 5.747 5.694 1.00 0.00 C ATOM 107 CE3 TRP A 6 -0.625 4.130 5.810 1.00 0.00 C ATOM 108 CZ2 TRP A 6 -1.540 6.721 5.223 1.00 0.00 C ATOM 109 CZ3 TRP A 6 0.265 5.108 5.337 1.00 0.00 C ATOM 110 CH2 TRP A 6 -0.191 6.401 5.044 1.00 0.00 C ATOM 0 H TRP A 6 -4.330 0.111 6.279 1.00 0.00 H new ATOM 0 HA TRP A 6 -2.412 1.930 4.872 1.00 0.00 H new ATOM 0 HB2 TRP A 6 -4.184 1.948 7.166 1.00 0.00 H new ATOM 0 HB3 TRP A 6 -2.550 2.091 7.783 1.00 0.00 H new ATOM 0 HD1 TRP A 6 -5.203 4.243 6.712 1.00 0.00 H new ATOM 0 HE1 TRP A 6 -4.389 6.541 5.855 1.00 0.00 H new ATOM 0 HE3 TRP A 6 -0.263 3.137 6.032 1.00 0.00 H new ATOM 0 HZ2 TRP A 6 -1.898 7.715 4.998 1.00 0.00 H new ATOM 0 HZ3 TRP A 6 1.308 4.862 5.198 1.00 0.00 H new ATOM 0 HH2 TRP A 6 0.499 7.148 4.681 1.00 0.00 H new ATOM 121 N ALA A 7 -1.505 -0.311 7.117 1.00 0.00 N ATOM 122 CA ALA A 7 -0.308 -1.073 7.573 1.00 0.00 C ATOM 123 C ALA A 7 0.441 -1.646 6.368 1.00 0.00 C ATOM 124 O ALA A 7 1.619 -1.937 6.438 1.00 0.00 O ATOM 125 CB ALA A 7 -0.870 -2.201 8.441 1.00 0.00 C ATOM 0 H ALA A 7 -2.378 -0.555 7.584 1.00 0.00 H new ATOM 0 HA ALA A 7 0.399 -0.449 8.120 1.00 0.00 H new ATOM 0 HB1 ALA A 7 -0.050 -2.812 8.819 1.00 0.00 H new ATOM 0 HB2 ALA A 7 -1.421 -1.775 9.279 1.00 0.00 H new ATOM 0 HB3 ALA A 7 -1.540 -2.820 7.844 1.00 0.00 H new ATOM 131 N TRP A 8 -0.234 -1.810 5.264 1.00 0.00 N ATOM 132 CA TRP A 8 0.437 -2.365 4.055 1.00 0.00 C ATOM 133 C TRP A 8 1.685 -1.550 3.722 1.00 0.00 C ATOM 134 O TRP A 8 2.794 -1.918 4.054 1.00 0.00 O ATOM 135 CB TRP A 8 -0.599 -2.238 2.931 1.00 0.00 C ATOM 136 CG TRP A 8 0.083 -2.217 1.590 1.00 0.00 C ATOM 137 CD1 TRP A 8 0.080 -1.175 0.730 1.00 0.00 C ATOM 138 CD2 TRP A 8 0.868 -3.263 0.953 1.00 0.00 C ATOM 139 NE1 TRP A 8 0.792 -1.522 -0.403 1.00 0.00 N ATOM 140 CE2 TRP A 8 1.299 -2.801 -0.313 1.00 0.00 C ATOM 141 CE3 TRP A 8 1.236 -4.556 1.344 1.00 0.00 C ATOM 142 CZ2 TRP A 8 2.069 -3.600 -1.161 1.00 0.00 C ATOM 143 CZ3 TRP A 8 2.012 -5.365 0.497 1.00 0.00 C ATOM 144 CH2 TRP A 8 2.425 -4.888 -0.755 1.00 0.00 C ATOM 0 H TRP A 8 -1.222 -1.584 5.147 1.00 0.00 H new ATOM 0 HA TRP A 8 0.759 -3.396 4.200 1.00 0.00 H new ATOM 0 HB2 TRP A 8 -1.299 -3.072 2.977 1.00 0.00 H new ATOM 0 HB3 TRP A 8 -1.180 -1.326 3.065 1.00 0.00 H new ATOM 0 HD1 TRP A 8 -0.402 -0.223 0.900 1.00 0.00 H new ATOM 0 HE1 TRP A 8 0.926 -0.908 -1.206 1.00 0.00 H new ATOM 0 HE3 TRP A 8 0.921 -4.935 2.305 1.00 0.00 H new ATOM 0 HZ2 TRP A 8 2.387 -3.225 -2.123 1.00 0.00 H new ATOM 0 HZ3 TRP A 8 2.292 -6.359 0.812 1.00 0.00 H new ATOM 0 HH2 TRP A 8 3.017 -5.515 -1.404 1.00 0.00 H new ATOM 155 N TRP A 9 1.507 -0.452 3.045 1.00 0.00 N ATOM 156 CA TRP A 9 2.673 0.382 2.665 1.00 0.00 C ATOM 157 C TRP A 9 3.599 0.601 3.868 1.00 0.00 C ATOM 158 O TRP A 9 4.771 0.881 3.715 1.00 0.00 O ATOM 159 CB TRP A 9 2.079 1.702 2.179 1.00 0.00 C ATOM 160 CG TRP A 9 3.147 2.500 1.508 1.00 0.00 C ATOM 161 CD1 TRP A 9 3.379 2.536 0.177 1.00 0.00 C ATOM 162 CD2 TRP A 9 4.133 3.371 2.120 1.00 0.00 C ATOM 163 NE1 TRP A 9 4.449 3.382 -0.066 1.00 0.00 N ATOM 164 CE2 TRP A 9 4.948 3.921 1.105 1.00 0.00 C ATOM 165 CE3 TRP A 9 4.391 3.730 3.448 1.00 0.00 C ATOM 166 CZ2 TRP A 9 5.989 4.802 1.403 1.00 0.00 C ATOM 167 CZ3 TRP A 9 5.435 4.615 3.757 1.00 0.00 C ATOM 168 CH2 TRP A 9 6.234 5.151 2.736 1.00 0.00 C ATOM 0 H TRP A 9 0.601 -0.097 2.739 1.00 0.00 H new ATOM 0 HA TRP A 9 3.282 -0.092 1.895 1.00 0.00 H new ATOM 0 HB2 TRP A 9 1.259 1.513 1.486 1.00 0.00 H new ATOM 0 HB3 TRP A 9 1.664 2.260 3.019 1.00 0.00 H new ATOM 0 HD1 TRP A 9 2.822 1.995 -0.573 1.00 0.00 H new ATOM 0 HE1 TRP A 9 4.822 3.582 -0.994 1.00 0.00 H new ATOM 0 HE3 TRP A 9 3.782 3.323 4.241 1.00 0.00 H new ATOM 0 HZ2 TRP A 9 6.600 5.211 0.612 1.00 0.00 H new ATOM 0 HZ3 TRP A 9 5.624 4.885 4.785 1.00 0.00 H new ATOM 0 HH2 TRP A 9 7.037 5.832 2.978 1.00 0.00 H new ATOM 179 N ALA A 10 3.086 0.470 5.062 1.00 0.00 N ATOM 180 CA ALA A 10 3.947 0.664 6.268 1.00 0.00 C ATOM 181 C ALA A 10 4.834 -0.564 6.481 1.00 0.00 C ATOM 182 O ALA A 10 6.044 -0.486 6.408 1.00 0.00 O ATOM 183 CB ALA A 10 2.970 0.835 7.431 1.00 0.00 C ATOM 0 H ALA A 10 2.112 0.238 5.256 1.00 0.00 H new ATOM 0 HA ALA A 10 4.612 1.522 6.171 1.00 0.00 H new ATOM 0 HB1 ALA A 10 3.528 0.983 8.356 1.00 0.00 H new ATOM 0 HB2 ALA A 10 2.335 1.701 7.248 1.00 0.00 H new ATOM 0 HB3 ALA A 10 2.350 -0.057 7.520 1.00 0.00 H new ATOM 189 N TRP A 11 4.243 -1.700 6.734 1.00 0.00 N ATOM 190 CA TRP A 11 5.060 -2.929 6.938 1.00 0.00 C ATOM 191 C TRP A 11 6.158 -2.997 5.877 1.00 0.00 C ATOM 192 O TRP A 11 7.297 -3.318 6.151 1.00 0.00 O ATOM 193 CB TRP A 11 4.065 -4.096 6.772 1.00 0.00 C ATOM 194 CG TRP A 11 4.194 -4.713 5.404 1.00 0.00 C ATOM 195 CD1 TRP A 11 3.326 -4.540 4.383 1.00 0.00 C ATOM 196 CD2 TRP A 11 5.250 -5.576 4.891 1.00 0.00 C ATOM 197 NE1 TRP A 11 3.770 -5.258 3.288 1.00 0.00 N ATOM 198 CE2 TRP A 11 4.953 -5.913 3.551 1.00 0.00 C ATOM 199 CE3 TRP A 11 6.419 -6.099 5.460 1.00 0.00 C ATOM 200 CZ2 TRP A 11 5.789 -6.741 2.801 1.00 0.00 C ATOM 201 CZ3 TRP A 11 7.267 -6.932 4.711 1.00 0.00 C ATOM 202 CH2 TRP A 11 6.951 -7.254 3.383 1.00 0.00 C ATOM 0 H TRP A 11 3.234 -1.830 6.808 1.00 0.00 H new ATOM 0 HA TRP A 11 5.552 -2.954 7.910 1.00 0.00 H new ATOM 0 HB2 TRP A 11 4.251 -4.851 7.536 1.00 0.00 H new ATOM 0 HB3 TRP A 11 3.047 -3.737 6.920 1.00 0.00 H new ATOM 0 HD1 TRP A 11 2.430 -3.938 4.417 1.00 0.00 H new ATOM 0 HE1 TRP A 11 3.281 -5.298 2.394 1.00 0.00 H new ATOM 0 HE3 TRP A 11 6.670 -5.860 6.483 1.00 0.00 H new ATOM 0 HZ2 TRP A 11 5.540 -6.983 1.779 1.00 0.00 H new ATOM 0 HZ3 TRP A 11 8.167 -7.326 5.160 1.00 0.00 H new ATOM 0 HH2 TRP A 11 7.604 -7.897 2.812 1.00 0.00 H new ATOM 213 N ARG A 12 5.796 -2.715 4.659 1.00 0.00 N ATOM 214 CA ARG A 12 6.781 -2.780 3.550 1.00 0.00 C ATOM 215 C ARG A 12 8.113 -2.169 3.993 1.00 0.00 C ATOM 216 O ARG A 12 9.173 -2.591 3.574 1.00 0.00 O ATOM 217 CB ARG A 12 6.169 -1.963 2.412 1.00 0.00 C ATOM 218 CG ARG A 12 4.926 -2.685 1.862 1.00 0.00 C ATOM 219 CD ARG A 12 4.738 -2.358 0.373 1.00 0.00 C ATOM 220 NE ARG A 12 5.081 -0.914 0.234 1.00 0.00 N ATOM 221 CZ ARG A 12 6.257 -0.561 -0.208 1.00 0.00 C ATOM 222 NH1 ARG A 12 6.665 -0.975 -1.377 1.00 0.00 N ATOM 223 NH2 ARG A 12 7.026 0.203 0.518 1.00 0.00 N ATOM 0 H ARG A 12 4.853 -2.440 4.383 1.00 0.00 H new ATOM 0 HA ARG A 12 6.984 -3.806 3.244 1.00 0.00 H new ATOM 0 HB2 ARG A 12 5.896 -0.971 2.771 1.00 0.00 H new ATOM 0 HB3 ARG A 12 6.902 -1.824 1.617 1.00 0.00 H new ATOM 0 HG2 ARG A 12 5.033 -3.762 1.995 1.00 0.00 H new ATOM 0 HG3 ARG A 12 4.042 -2.381 2.423 1.00 0.00 H new ATOM 0 HD2 ARG A 12 5.385 -2.976 -0.249 1.00 0.00 H new ATOM 0 HD3 ARG A 12 3.713 -2.550 0.056 1.00 0.00 H new ATOM 0 HE ARG A 12 4.396 -0.201 0.485 1.00 0.00 H new ATOM 0 HH11 ARG A 12 6.065 -1.574 -1.944 1.00 0.00 H new ATOM 0 HH12 ARG A 12 7.584 -0.700 -1.723 1.00 0.00 H new ATOM 0 HH21 ARG A 12 6.708 0.525 1.432 1.00 0.00 H new ATOM 0 HH22 ARG A 12 7.945 0.478 0.171 1.00 0.00 H new ATOM 237 N ARG A 13 8.065 -1.176 4.839 1.00 0.00 N ATOM 238 CA ARG A 13 9.325 -0.532 5.312 1.00 0.00 C ATOM 239 C ARG A 13 9.843 -1.241 6.566 1.00 0.00 C ATOM 240 O ARG A 13 10.955 -1.728 6.593 1.00 0.00 O ATOM 241 CB ARG A 13 8.932 0.909 5.635 1.00 0.00 C ATOM 242 CG ARG A 13 10.167 1.808 5.551 1.00 0.00 C ATOM 243 CD ARG A 13 9.730 3.252 5.286 1.00 0.00 C ATOM 244 NE ARG A 13 9.382 3.801 6.629 1.00 0.00 N ATOM 245 CZ ARG A 13 10.292 4.408 7.341 1.00 0.00 C ATOM 246 NH1 ARG A 13 11.031 5.339 6.800 1.00 0.00 N ATOM 247 NH2 ARG A 13 10.464 4.085 8.593 1.00 0.00 N ATOM 0 H ARG A 13 7.207 -0.782 5.224 1.00 0.00 H new ATOM 0 HA ARG A 13 10.120 -0.582 4.568 1.00 0.00 H new ATOM 0 HB2 ARG A 13 8.170 1.254 4.936 1.00 0.00 H new ATOM 0 HB3 ARG A 13 8.497 0.963 6.633 1.00 0.00 H new ATOM 0 HG2 ARG A 13 10.734 1.753 6.480 1.00 0.00 H new ATOM 0 HG3 ARG A 13 10.827 1.464 4.754 1.00 0.00 H new ATOM 0 HD2 ARG A 13 10.530 3.827 4.819 1.00 0.00 H new ATOM 0 HD3 ARG A 13 8.875 3.288 4.611 1.00 0.00 H new ATOM 0 HE ARG A 13 8.433 3.702 6.991 1.00 0.00 H new ATOM 0 HH11 ARG A 13 10.897 5.592 5.821 1.00 0.00 H new ATOM 0 HH12 ARG A 13 11.742 5.813 7.357 1.00 0.00 H new ATOM 0 HH21 ARG A 13 9.887 3.358 9.016 1.00 0.00 H new ATOM 0 HH22 ARG A 13 11.175 4.560 9.149 1.00 0.00 H new HETATM 261 N NH2 A 14 9.074 -1.318 7.618 1.00 0.00 N TER 264 NH2 A 14