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+ -150:sc= -0.285 (180deg=-1.86!) USER MOD Single : A 5 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD ----------------------------------------------------------------- ATOM 1 N ILE A 1 -12.286 1.242 8.155 1.00 0.00 N ATOM 2 CA ILE A 1 -11.585 0.147 7.424 1.00 0.00 C ATOM 3 C ILE A 1 -11.462 0.496 5.939 1.00 0.00 C ATOM 4 O ILE A 1 -12.071 -0.126 5.091 1.00 0.00 O ATOM 5 CB ILE A 1 -12.471 -1.085 7.615 1.00 0.00 C ATOM 6 CG1 ILE A 1 -12.683 -1.331 9.111 1.00 0.00 C ATOM 7 CG2 ILE A 1 -11.792 -2.305 6.990 1.00 0.00 C ATOM 8 CD1 ILE A 1 -13.601 -2.541 9.303 1.00 0.00 C ATOM 0 H1 ILE A 1 -11.944 1.278 9.137 1.00 0.00 H new ATOM 0 H2 ILE A 1 -12.093 2.151 7.687 1.00 0.00 H new ATOM 0 H3 ILE A 1 -13.310 1.061 8.152 1.00 0.00 H new ATOM 0 HA ILE A 1 -10.573 -0.017 7.795 1.00 0.00 H new ATOM 0 HB ILE A 1 -13.434 -0.919 7.132 1.00 0.00 H new ATOM 0 HG12 ILE A 1 -11.725 -1.506 9.601 1.00 0.00 H new ATOM 0 HG13 ILE A 1 -13.123 -0.449 9.577 1.00 0.00 H new ATOM 0 HG21 ILE A 1 -12.424 -3.183 7.126 1.00 0.00 H new ATOM 0 HG22 ILE A 1 -11.639 -2.130 5.925 1.00 0.00 H new ATOM 0 HG23 ILE A 1 -10.829 -2.473 7.473 1.00 0.00 H new ATOM 0 HD11 ILE A 1 -13.753 -2.717 10.368 1.00 0.00 H new ATOM 0 HD12 ILE A 1 -14.562 -2.348 8.827 1.00 0.00 H new ATOM 0 HD13 ILE A 1 -13.143 -3.421 8.851 1.00 0.00 H new ATOM 22 N LEU A 2 -10.676 1.488 5.618 1.00 0.00 N ATOM 23 CA LEU A 2 -10.513 1.879 4.188 1.00 0.00 C ATOM 24 C LEU A 2 -9.027 1.910 3.817 1.00 0.00 C ATOM 25 O LEU A 2 -8.325 2.855 4.114 1.00 0.00 O ATOM 26 CB LEU A 2 -11.120 3.278 4.089 1.00 0.00 C ATOM 27 CG LEU A 2 -11.902 3.405 2.780 1.00 0.00 C ATOM 28 CD1 LEU A 2 -13.402 3.385 3.079 1.00 0.00 C ATOM 29 CD2 LEU A 2 -11.537 4.724 2.095 1.00 0.00 C ATOM 0 H LEU A 2 -10.140 2.044 6.284 1.00 0.00 H new ATOM 0 HA LEU A 2 -10.996 1.177 3.509 1.00 0.00 H new ATOM 0 HB2 LEU A 2 -11.779 3.461 4.938 1.00 0.00 H new ATOM 0 HB3 LEU A 2 -10.333 4.031 4.129 1.00 0.00 H new ATOM 0 HG LEU A 2 -11.651 2.572 2.124 1.00 0.00 H new ATOM 0 HD11 LEU A 2 -13.960 3.475 2.147 1.00 0.00 H new ATOM 0 HD12 LEU A 2 -13.663 2.447 3.569 1.00 0.00 H new ATOM 0 HD13 LEU A 2 -13.653 4.219 3.735 1.00 0.00 H new ATOM 0 HD21 LEU A 2 -12.093 4.816 1.162 1.00 0.00 H new ATOM 0 HD22 LEU A 2 -11.789 5.557 2.751 1.00 0.00 H new ATOM 0 HD23 LEU A 2 -10.468 4.740 1.883 1.00 0.00 H new ATOM 41 N ALA A 3 -8.543 0.884 3.168 1.00 0.00 N ATOM 42 CA ALA A 3 -7.108 0.853 2.775 1.00 0.00 C ATOM 43 C ALA A 3 -6.732 -0.552 2.302 1.00 0.00 C ATOM 44 O ALA A 3 -7.177 -1.544 2.845 1.00 0.00 O ATOM 45 CB ALA A 3 -6.330 1.212 4.040 1.00 0.00 C ATOM 0 H ALA A 3 -9.084 0.064 2.893 1.00 0.00 H new ATOM 0 HA ALA A 3 -6.890 1.543 1.960 1.00 0.00 H new ATOM 0 HB1 ALA A 3 -5.262 1.208 3.824 1.00 0.00 H new ATOM 0 HB2 ALA A 3 -6.628 2.204 4.381 1.00 0.00 H new ATOM 0 HB3 ALA A 3 -6.545 0.481 4.819 1.00 0.00 H new ATOM 51 N TRP A 4 -5.915 -0.640 1.296 1.00 0.00 N ATOM 52 CA TRP A 4 -5.496 -1.974 0.774 1.00 0.00 C ATOM 53 C TRP A 4 -4.691 -1.794 -0.511 1.00 0.00 C ATOM 54 O TRP A 4 -3.535 -2.158 -0.591 1.00 0.00 O ATOM 55 CB TRP A 4 -6.796 -2.730 0.490 1.00 0.00 C ATOM 56 CG TRP A 4 -6.732 -4.080 1.127 1.00 0.00 C ATOM 57 CD1 TRP A 4 -7.572 -4.526 2.088 1.00 0.00 C ATOM 58 CD2 TRP A 4 -5.791 -5.164 0.870 1.00 0.00 C ATOM 59 NE1 TRP A 4 -7.210 -5.815 2.435 1.00 0.00 N ATOM 60 CE2 TRP A 4 -6.118 -6.252 1.712 1.00 0.00 C ATOM 61 CE3 TRP A 4 -4.699 -5.306 -0.004 1.00 0.00 C ATOM 62 CZ2 TRP A 4 -5.387 -7.441 1.687 1.00 0.00 C ATOM 63 CZ3 TRP A 4 -3.961 -6.501 -0.031 1.00 0.00 C ATOM 64 CH2 TRP A 4 -4.304 -7.566 0.814 1.00 0.00 C ATOM 0 H TRP A 4 -5.514 0.159 0.806 1.00 0.00 H new ATOM 0 HA TRP A 4 -4.867 -2.514 1.481 1.00 0.00 H new ATOM 0 HB2 TRP A 4 -7.647 -2.172 0.879 1.00 0.00 H new ATOM 0 HB3 TRP A 4 -6.945 -2.829 -0.585 1.00 0.00 H new ATOM 0 HD1 TRP A 4 -8.392 -3.967 2.515 1.00 0.00 H new ATOM 0 HE1 TRP A 4 -7.691 -6.375 3.139 1.00 0.00 H new ATOM 0 HE3 TRP A 4 -4.426 -4.492 -0.659 1.00 0.00 H new ATOM 0 HZ2 TRP A 4 -5.657 -8.259 2.338 1.00 0.00 H new ATOM 0 HZ3 TRP A 4 -3.124 -6.600 -0.707 1.00 0.00 H new ATOM 0 HH2 TRP A 4 -3.732 -8.482 0.790 1.00 0.00 H new ATOM 75 N LYS A 5 -5.293 -1.216 -1.511 1.00 0.00 N ATOM 76 CA LYS A 5 -4.563 -0.989 -2.790 1.00 0.00 C ATOM 77 C LYS A 5 -3.488 0.084 -2.591 1.00 0.00 C ATOM 78 O LYS A 5 -2.700 0.362 -3.473 1.00 0.00 O ATOM 79 CB LYS A 5 -5.628 -0.505 -3.776 1.00 0.00 C ATOM 80 CG LYS A 5 -5.038 -0.463 -5.186 1.00 0.00 C ATOM 81 CD LYS A 5 -4.825 -1.890 -5.695 1.00 0.00 C ATOM 82 CE LYS A 5 -6.134 -2.422 -6.283 1.00 0.00 C ATOM 83 NZ LYS A 5 -5.818 -2.737 -7.704 1.00 0.00 N ATOM 0 H LYS A 5 -6.260 -0.890 -1.499 1.00 0.00 H new ATOM 0 HA LYS A 5 -4.060 -1.887 -3.147 1.00 0.00 H new ATOM 0 HB2 LYS A 5 -6.491 -1.171 -3.751 1.00 0.00 H new ATOM 0 HB3 LYS A 5 -5.981 0.485 -3.489 1.00 0.00 H new ATOM 0 HG2 LYS A 5 -5.708 0.077 -5.856 1.00 0.00 H new ATOM 0 HG3 LYS A 5 -4.091 0.077 -5.179 1.00 0.00 H new ATOM 0 HD2 LYS A 5 -4.041 -1.904 -6.452 1.00 0.00 H new ATOM 0 HD3 LYS A 5 -4.492 -2.533 -4.880 1.00 0.00 H new ATOM 0 HE2 LYS A 5 -6.475 -3.309 -5.749 1.00 0.00 H new ATOM 0 HE3 LYS A 5 -6.929 -1.680 -6.211 1.00 0.00 H new ATOM 0 HZ1 LYS A 5 -6.668 -3.108 -8.175 1.00 0.00 H new ATOM 0 HZ2 LYS A 5 -5.502 -1.873 -8.189 1.00 0.00 H new ATOM 0 HZ3 LYS A 5 -5.062 -3.451 -7.742 1.00 0.00 H new ATOM 97 N TRP A 6 -3.446 0.682 -1.429 1.00 0.00 N ATOM 98 CA TRP A 6 -2.414 1.731 -1.164 1.00 0.00 C ATOM 99 C TRP A 6 -1.104 1.068 -0.730 1.00 0.00 C ATOM 100 O TRP A 6 -0.040 1.392 -1.217 1.00 0.00 O ATOM 101 CB TRP A 6 -2.971 2.606 -0.030 1.00 0.00 C ATOM 102 CG TRP A 6 -2.956 4.040 -0.454 1.00 0.00 C ATOM 103 CD1 TRP A 6 -4.014 4.884 -0.389 1.00 0.00 C ATOM 104 CD2 TRP A 6 -1.851 4.813 -1.007 1.00 0.00 C ATOM 105 NE1 TRP A 6 -3.627 6.123 -0.867 1.00 0.00 N ATOM 106 CE2 TRP A 6 -2.303 6.130 -1.259 1.00 0.00 C ATOM 107 CE3 TRP A 6 -0.514 4.502 -1.310 1.00 0.00 C ATOM 108 CZ2 TRP A 6 -1.459 7.104 -1.794 1.00 0.00 C ATOM 109 CZ3 TRP A 6 0.340 5.480 -1.849 1.00 0.00 C ATOM 110 CH2 TRP A 6 -0.132 6.778 -2.091 1.00 0.00 C ATOM 0 H TRP A 6 -4.080 0.491 -0.653 1.00 0.00 H new ATOM 0 HA TRP A 6 -2.206 2.326 -2.053 1.00 0.00 H new ATOM 0 HB2 TRP A 6 -3.988 2.299 0.215 1.00 0.00 H new ATOM 0 HB3 TRP A 6 -2.373 2.476 0.872 1.00 0.00 H new ATOM 0 HD1 TRP A 6 -4.998 4.631 -0.024 1.00 0.00 H new ATOM 0 HE1 TRP A 6 -4.245 6.933 -0.923 1.00 0.00 H new ATOM 0 HE3 TRP A 6 -0.140 3.505 -1.128 1.00 0.00 H new ATOM 0 HZ2 TRP A 6 -1.828 8.102 -1.977 1.00 0.00 H new ATOM 0 HZ3 TRP A 6 1.365 5.230 -2.078 1.00 0.00 H new ATOM 0 HH2 TRP A 6 0.528 7.525 -2.506 1.00 0.00 H new ATOM 121 N ALA A 7 -1.178 0.138 0.183 1.00 0.00 N ATOM 122 CA ALA A 7 0.058 -0.553 0.650 1.00 0.00 C ATOM 123 C ALA A 7 0.835 -1.107 -0.546 1.00 0.00 C ATOM 124 O ALA A 7 2.033 -1.306 -0.483 1.00 0.00 O ATOM 125 CB ALA A 7 -0.442 -1.691 1.541 1.00 0.00 C ATOM 0 H ALA A 7 -2.042 -0.174 0.626 1.00 0.00 H new ATOM 0 HA ALA A 7 0.733 0.116 1.183 1.00 0.00 H new ATOM 0 HB1 ALA A 7 0.409 -2.252 1.927 1.00 0.00 H new ATOM 0 HB2 ALA A 7 -1.012 -1.278 2.373 1.00 0.00 H new ATOM 0 HB3 ALA A 7 -1.080 -2.356 0.959 1.00 0.00 H new ATOM 131 N TRP A 8 0.164 -1.358 -1.637 1.00 0.00 N ATOM 132 CA TRP A 8 0.864 -1.901 -2.838 1.00 0.00 C ATOM 133 C TRP A 8 2.107 -1.067 -3.144 1.00 0.00 C ATOM 134 O TRP A 8 3.212 -1.417 -2.779 1.00 0.00 O ATOM 135 CB TRP A 8 -0.155 -1.784 -3.979 1.00 0.00 C ATOM 136 CG TRP A 8 0.546 -1.742 -5.310 1.00 0.00 C ATOM 137 CD1 TRP A 8 0.525 -0.697 -6.169 1.00 0.00 C ATOM 138 CD2 TRP A 8 1.365 -2.767 -5.943 1.00 0.00 C ATOM 139 NE1 TRP A 8 1.265 -1.021 -7.292 1.00 0.00 N ATOM 140 CE2 TRP A 8 1.803 -2.287 -7.199 1.00 0.00 C ATOM 141 CE3 TRP A 8 1.762 -4.052 -5.553 1.00 0.00 C ATOM 142 CZ2 TRP A 8 2.605 -3.059 -8.040 1.00 0.00 C ATOM 143 CZ3 TRP A 8 2.572 -4.836 -6.395 1.00 0.00 C ATOM 144 CH2 TRP A 8 2.991 -4.339 -7.636 1.00 0.00 C ATOM 0 H TRP A 8 -0.839 -1.211 -1.750 1.00 0.00 H new ATOM 0 HA TRP A 8 1.197 -2.929 -2.693 1.00 0.00 H new ATOM 0 HB2 TRP A 8 -0.841 -2.630 -3.950 1.00 0.00 H new ATOM 0 HB3 TRP A 8 -0.754 -0.883 -3.848 1.00 0.00 H new ATOM 0 HD1 TRP A 8 0.013 0.240 -6.004 1.00 0.00 H new ATOM 0 HE1 TRP A 8 1.396 -0.400 -8.090 1.00 0.00 H new ATOM 0 HE3 TRP A 8 1.444 -4.444 -4.598 1.00 0.00 H new ATOM 0 HZ2 TRP A 8 2.925 -2.670 -8.995 1.00 0.00 H new ATOM 0 HZ3 TRP A 8 2.872 -5.825 -6.083 1.00 0.00 H new ATOM 0 HH2 TRP A 8 3.612 -4.945 -8.279 1.00 0.00 H new ATOM 155 N TRP A 9 1.930 0.026 -3.830 1.00 0.00 N ATOM 156 CA TRP A 9 3.093 0.879 -4.185 1.00 0.00 C ATOM 157 C TRP A 9 4.001 1.098 -2.968 1.00 0.00 C ATOM 158 O TRP A 9 5.176 1.375 -3.104 1.00 0.00 O ATOM 159 CB TRP A 9 2.487 2.196 -4.666 1.00 0.00 C ATOM 160 CG TRP A 9 3.550 3.009 -5.327 1.00 0.00 C ATOM 161 CD1 TRP A 9 3.790 3.055 -6.657 1.00 0.00 C ATOM 162 CD2 TRP A 9 4.525 3.885 -4.704 1.00 0.00 C ATOM 163 NE1 TRP A 9 4.853 3.912 -6.888 1.00 0.00 N ATOM 164 CE2 TRP A 9 5.341 4.448 -5.712 1.00 0.00 C ATOM 165 CE3 TRP A 9 4.772 4.239 -3.373 1.00 0.00 C ATOM 166 CZ2 TRP A 9 6.372 5.337 -5.402 1.00 0.00 C ATOM 167 CZ3 TRP A 9 5.807 5.130 -3.052 1.00 0.00 C ATOM 168 CH2 TRP A 9 6.606 5.680 -4.066 1.00 0.00 C ATOM 0 H TRP A 9 1.027 0.365 -4.161 1.00 0.00 H new ATOM 0 HA TRP A 9 3.720 0.420 -4.950 1.00 0.00 H new ATOM 0 HB2 TRP A 9 1.673 2.003 -5.364 1.00 0.00 H new ATOM 0 HB3 TRP A 9 2.062 2.744 -3.825 1.00 0.00 H new ATOM 0 HD1 TRP A 9 3.243 2.513 -7.414 1.00 0.00 H new ATOM 0 HE1 TRP A 9 5.229 4.122 -7.813 1.00 0.00 H new ATOM 0 HE3 TRP A 9 4.161 3.823 -2.586 1.00 0.00 H new ATOM 0 HZ2 TRP A 9 6.984 5.756 -6.187 1.00 0.00 H new ATOM 0 HZ3 TRP A 9 5.989 5.394 -2.021 1.00 0.00 H new ATOM 0 HH2 TRP A 9 7.401 6.367 -3.815 1.00 0.00 H new ATOM 179 N ALA A 10 3.472 0.969 -1.781 1.00 0.00 N ATOM 180 CA ALA A 10 4.317 1.162 -0.565 1.00 0.00 C ATOM 181 C ALA A 10 5.205 -0.064 -0.348 1.00 0.00 C ATOM 182 O ALA A 10 6.416 0.032 -0.326 1.00 0.00 O ATOM 183 CB ALA A 10 3.326 1.325 0.587 1.00 0.00 C ATOM 0 H ALA A 10 2.495 0.739 -1.600 1.00 0.00 H new ATOM 0 HA ALA A 10 4.979 2.024 -0.650 1.00 0.00 H new ATOM 0 HB1 ALA A 10 3.872 1.472 1.519 1.00 0.00 H new ATOM 0 HB2 ALA A 10 2.689 2.190 0.400 1.00 0.00 H new ATOM 0 HB3 ALA A 10 2.709 0.430 0.665 1.00 0.00 H new ATOM 189 N TRP A 11 4.616 -1.218 -0.198 1.00 0.00 N ATOM 190 CA TRP A 11 5.435 -2.446 0.005 1.00 0.00 C ATOM 191 C TRP A 11 6.537 -2.508 -1.053 1.00 0.00 C ATOM 192 O TRP A 11 7.680 -2.810 -0.771 1.00 0.00 O ATOM 193 CB TRP A 11 4.444 -3.615 -0.161 1.00 0.00 C ATOM 194 CG TRP A 11 4.623 -4.277 -1.501 1.00 0.00 C ATOM 195 CD1 TRP A 11 3.729 -4.251 -2.511 1.00 0.00 C ATOM 196 CD2 TRP A 11 5.763 -5.041 -1.991 1.00 0.00 C ATOM 197 NE1 TRP A 11 4.235 -4.967 -3.580 1.00 0.00 N ATOM 198 CE2 TRP A 11 5.487 -5.472 -3.309 1.00 0.00 C ATOM 199 CE3 TRP A 11 6.992 -5.403 -1.423 1.00 0.00 C ATOM 200 CZ2 TRP A 11 6.400 -6.237 -4.036 1.00 0.00 C ATOM 201 CZ3 TRP A 11 7.917 -6.170 -2.148 1.00 0.00 C ATOM 202 CH2 TRP A 11 7.621 -6.589 -3.452 1.00 0.00 C ATOM 0 H TRP A 11 3.607 -1.364 -0.207 1.00 0.00 H new ATOM 0 HA TRP A 11 5.926 -2.472 0.978 1.00 0.00 H new ATOM 0 HB2 TRP A 11 4.598 -4.344 0.634 1.00 0.00 H new ATOM 0 HB3 TRP A 11 3.422 -3.249 -0.064 1.00 0.00 H new ATOM 0 HD1 TRP A 11 2.772 -3.751 -2.488 1.00 0.00 H new ATOM 0 HE1 TRP A 11 3.741 -5.104 -4.462 1.00 0.00 H new ATOM 0 HE3 TRP A 11 7.230 -5.089 -0.417 1.00 0.00 H new ATOM 0 HZ2 TRP A 11 6.166 -6.555 -5.041 1.00 0.00 H new ATOM 0 HZ3 TRP A 11 8.862 -6.439 -1.699 1.00 0.00 H new ATOM 0 HH2 TRP A 11 8.334 -7.182 -4.005 1.00 0.00 H new ATOM 213 N ARG A 12 6.170 -2.248 -2.277 1.00 0.00 N ATOM 214 CA ARG A 12 7.150 -2.308 -3.395 1.00 0.00 C ATOM 215 C ARG A 12 8.515 -1.779 -2.944 1.00 0.00 C ATOM 216 O ARG A 12 9.548 -2.292 -3.327 1.00 0.00 O ATOM 217 CB ARG A 12 6.565 -1.412 -4.486 1.00 0.00 C ATOM 218 CG ARG A 12 5.282 -2.040 -5.038 1.00 0.00 C ATOM 219 CD ARG A 12 4.777 -1.209 -6.219 1.00 0.00 C ATOM 220 NE ARG A 12 5.434 -1.803 -7.417 1.00 0.00 N ATOM 221 CZ ARG A 12 6.339 -1.125 -8.068 1.00 0.00 C ATOM 222 NH1 ARG A 12 5.977 -0.240 -8.956 1.00 0.00 N ATOM 223 NH2 ARG A 12 7.605 -1.331 -7.831 1.00 0.00 N ATOM 0 H ARG A 12 5.221 -1.994 -2.552 1.00 0.00 H new ATOM 0 HA ARG A 12 7.308 -3.329 -3.743 1.00 0.00 H new ATOM 0 HB2 ARG A 12 6.352 -0.422 -4.082 1.00 0.00 H new ATOM 0 HB3 ARG A 12 7.291 -1.279 -5.288 1.00 0.00 H new ATOM 0 HG2 ARG A 12 5.473 -3.065 -5.356 1.00 0.00 H new ATOM 0 HG3 ARG A 12 4.521 -2.084 -4.259 1.00 0.00 H new ATOM 0 HD2 ARG A 12 3.691 -1.257 -6.300 1.00 0.00 H new ATOM 0 HD3 ARG A 12 5.042 -0.158 -6.104 1.00 0.00 H new ATOM 0 HE ARG A 12 5.176 -2.740 -7.728 1.00 0.00 H new ATOM 0 HH11 ARG A 12 4.987 -0.079 -9.141 1.00 0.00 H new ATOM 0 HH12 ARG A 12 6.684 0.290 -9.465 1.00 0.00 H new ATOM 0 HH21 ARG A 12 7.888 -2.022 -7.137 1.00 0.00 H new ATOM 0 HH22 ARG A 12 8.312 -0.801 -8.340 1.00 0.00 H new ATOM 237 N ARG A 13 8.523 -0.755 -2.136 1.00 0.00 N ATOM 238 CA ARG A 13 9.818 -0.190 -1.660 1.00 0.00 C ATOM 239 C ARG A 13 10.429 -1.097 -0.587 1.00 0.00 C ATOM 240 O ARG A 13 10.811 -0.640 0.472 1.00 0.00 O ATOM 241 CB ARG A 13 9.456 1.174 -1.068 1.00 0.00 C ATOM 242 CG ARG A 13 10.726 2.004 -0.881 1.00 0.00 C ATOM 243 CD ARG A 13 10.346 3.462 -0.598 1.00 0.00 C ATOM 244 NE ARG A 13 10.105 3.520 0.877 1.00 0.00 N ATOM 245 CZ ARG A 13 9.146 2.810 1.405 1.00 0.00 C ATOM 246 NH1 ARG A 13 7.904 3.175 1.252 1.00 0.00 N ATOM 247 NH2 ARG A 13 9.431 1.732 2.085 1.00 0.00 N ATOM 0 H ARG A 13 7.689 -0.285 -1.784 1.00 0.00 H new ATOM 0 HA ARG A 13 10.554 -0.107 -2.460 1.00 0.00 H new ATOM 0 HB2 ARG A 13 8.762 1.696 -1.727 1.00 0.00 H new ATOM 0 HB3 ARG A 13 8.950 1.044 -0.111 1.00 0.00 H new ATOM 0 HG2 ARG A 13 11.317 1.604 -0.057 1.00 0.00 H new ATOM 0 HG3 ARG A 13 11.346 1.946 -1.775 1.00 0.00 H new ATOM 0 HD2 ARG A 13 11.144 4.143 -0.895 1.00 0.00 H new ATOM 0 HD3 ARG A 13 9.456 3.753 -1.155 1.00 0.00 H new ATOM 0 HE ARG A 13 10.688 4.112 1.468 1.00 0.00 H new ATOM 0 HH11 ARG A 13 7.681 4.016 0.719 1.00 0.00 H new ATOM 0 HH12 ARG A 13 7.155 2.620 1.665 1.00 0.00 H new ATOM 0 HH21 ARG A 13 10.403 1.446 2.203 1.00 0.00 H new ATOM 0 HH22 ARG A 13 8.682 1.177 2.498 1.00 0.00 H new HETATM 261 N NH2 A 14 10.539 -2.376 -0.820 1.00 0.00 N TER 264 NH2 A 14