USER MOD reduce.3.24.130724 H: found=0, std=0, add=132, rem=0, adj=1 USER MOD reduce.3.24.130724 removed 134 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 VAL N :NH3+ -118:sc= -0.486 (180deg=-0.5) USER MOD ----------------------------------------------------------------- ATOM 1 N VAL A 1 -6.112 5.523 2.006 1.00 0.00 N ATOM 2 CA VAL A 1 -6.386 4.405 1.066 1.00 0.00 C ATOM 3 C VAL A 1 -6.789 3.139 1.817 1.00 0.00 C ATOM 4 O VAL A 1 -6.228 2.824 2.865 1.00 0.00 O ATOM 5 CB VAL A 1 -5.161 4.107 0.179 1.00 0.00 C ATOM 6 CG1 VAL A 1 -4.806 5.321 -0.665 1.00 0.00 C ATOM 7 CG2 VAL A 1 -3.969 3.668 1.021 1.00 0.00 C ATOM 0 H1 VAL A 1 -6.781 6.299 1.827 1.00 0.00 H new ATOM 0 H2 VAL A 1 -6.222 5.189 2.985 1.00 0.00 H new ATOM 0 H3 VAL A 1 -5.140 5.865 1.865 1.00 0.00 H new ATOM 0 HA VAL A 1 -7.214 4.718 0.430 1.00 0.00 H new ATOM 0 HB VAL A 1 -5.419 3.286 -0.490 1.00 0.00 H new ATOM 0 HG11 VAL A 1 -3.939 5.092 -1.285 1.00 0.00 H new ATOM 0 HG12 VAL A 1 -5.651 5.580 -1.304 1.00 0.00 H new ATOM 0 HG13 VAL A 1 -4.574 6.163 -0.012 1.00 0.00 H new ATOM 0 HG21 VAL A 1 -3.119 3.464 0.370 1.00 0.00 H new ATOM 0 HG22 VAL A 1 -3.707 4.460 1.722 1.00 0.00 H new ATOM 0 HG23 VAL A 1 -4.227 2.765 1.574 1.00 0.00 H new ATOM 19 N ARG A 2 -7.776 2.423 1.282 1.00 0.00 N ATOM 20 CA ARG A 2 -8.264 1.198 1.911 1.00 0.00 C ATOM 21 C ARG A 2 -7.275 0.044 1.747 1.00 0.00 C ATOM 22 O ARG A 2 -6.618 -0.360 2.707 1.00 0.00 O ATOM 23 CB ARG A 2 -9.621 0.804 1.321 1.00 0.00 C ATOM 24 CG ARG A 2 -10.185 -0.485 1.898 1.00 0.00 C ATOM 25 CD ARG A 2 -11.507 -0.881 1.248 1.00 0.00 C ATOM 26 NE ARG A 2 -12.586 0.063 1.541 1.00 0.00 N ATOM 27 CZ ARG A 2 -12.791 1.198 0.874 1.00 0.00 C ATOM 28 NH1 ARG A 2 -12.032 1.512 -0.167 1.00 0.00 N ATOM 29 NH2 ARG A 2 -13.772 2.011 1.239 1.00 0.00 N ATOM 0 H ARG A 2 -8.253 2.670 0.415 1.00 0.00 H new ATOM 0 HA ARG A 2 -8.373 1.399 2.977 1.00 0.00 H new ATOM 0 HB2 ARG A 2 -10.332 1.612 1.495 1.00 0.00 H new ATOM 0 HB3 ARG A 2 -9.520 0.695 0.241 1.00 0.00 H new ATOM 0 HG2 ARG A 2 -9.461 -1.288 1.762 1.00 0.00 H new ATOM 0 HG3 ARG A 2 -10.332 -0.366 2.972 1.00 0.00 H new ATOM 0 HD2 ARG A 2 -11.371 -0.947 0.169 1.00 0.00 H new ATOM 0 HD3 ARG A 2 -11.794 -1.874 1.594 1.00 0.00 H new ATOM 0 HE ARG A 2 -13.222 -0.163 2.305 1.00 0.00 H new ATOM 0 HH11 ARG A 2 -11.285 0.883 -0.462 1.00 0.00 H new ATOM 0 HH12 ARG A 2 -12.195 2.383 -0.673 1.00 0.00 H new ATOM 0 HH21 ARG A 2 -14.369 1.767 2.030 1.00 0.00 H new ATOM 0 HH22 ARG A 2 -13.930 2.880 0.729 1.00 0.00 H new ATOM 43 N ARG A 3 -7.181 -0.488 0.530 1.00 0.00 N ATOM 44 CA ARG A 3 -6.280 -1.604 0.249 1.00 0.00 C ATOM 45 C ARG A 3 -4.824 -1.162 0.274 1.00 0.00 C ATOM 46 O ARG A 3 -3.997 -1.752 0.960 1.00 0.00 O ATOM 47 CB ARG A 3 -6.591 -2.231 -1.114 1.00 0.00 C ATOM 48 CG ARG A 3 -7.954 -2.901 -1.201 1.00 0.00 C ATOM 49 CD ARG A 3 -9.090 -1.889 -1.162 1.00 0.00 C ATOM 50 NE ARG A 3 -8.998 -0.916 -2.248 1.00 0.00 N ATOM 51 CZ ARG A 3 -9.101 -1.230 -3.537 1.00 0.00 C ATOM 52 NH1 ARG A 3 -9.329 -2.485 -3.903 1.00 0.00 N ATOM 53 NH2 ARG A 3 -8.985 -0.287 -4.461 1.00 0.00 N ATOM 0 H ARG A 3 -7.716 -0.165 -0.276 1.00 0.00 H new ATOM 0 HA ARG A 3 -6.438 -2.346 1.032 1.00 0.00 H new ATOM 0 HB2 ARG A 3 -6.531 -1.457 -1.879 1.00 0.00 H new ATOM 0 HB3 ARG A 3 -5.822 -2.968 -1.345 1.00 0.00 H new ATOM 0 HG2 ARG A 3 -8.015 -3.480 -2.123 1.00 0.00 H new ATOM 0 HG3 ARG A 3 -8.066 -3.604 -0.375 1.00 0.00 H new ATOM 0 HD2 ARG A 3 -10.044 -2.413 -1.225 1.00 0.00 H new ATOM 0 HD3 ARG A 3 -9.076 -1.366 -0.206 1.00 0.00 H new ATOM 0 HE ARG A 3 -8.846 0.062 -2.004 1.00 0.00 H new ATOM 0 HH11 ARG A 3 -9.426 -3.213 -3.195 1.00 0.00 H new ATOM 0 HH12 ARG A 3 -9.407 -2.722 -4.892 1.00 0.00 H new ATOM 0 HH21 ARG A 3 -8.817 0.680 -4.184 1.00 0.00 H new ATOM 0 HH22 ARG A 3 -9.064 -0.528 -5.449 1.00 0.00 H new ATOM 67 N PHE A 4 -4.519 -0.125 -0.488 1.00 0.00 N ATOM 68 CA PHE A 4 -3.160 0.397 -0.573 1.00 0.00 C ATOM 69 C PHE A 4 -2.539 0.561 0.801 1.00 0.00 C ATOM 70 O PHE A 4 -1.327 0.487 0.964 1.00 0.00 O ATOM 71 CB PHE A 4 -3.164 1.727 -1.318 1.00 0.00 C ATOM 72 CG PHE A 4 -3.615 1.604 -2.743 1.00 0.00 C ATOM 73 CD1 PHE A 4 -3.844 0.358 -3.301 1.00 0.00 C ATOM 74 CD2 PHE A 4 -3.820 2.729 -3.520 1.00 0.00 C ATOM 75 CE1 PHE A 4 -4.267 0.232 -4.603 1.00 0.00 C ATOM 76 CE2 PHE A 4 -4.247 2.613 -4.827 1.00 0.00 C ATOM 77 CZ PHE A 4 -4.472 1.362 -5.371 1.00 0.00 C ATOM 0 H PHE A 4 -5.197 0.377 -1.061 1.00 0.00 H new ATOM 0 HA PHE A 4 -2.553 -0.323 -1.123 1.00 0.00 H new ATOM 0 HB2 PHE A 4 -3.817 2.427 -0.796 1.00 0.00 H new ATOM 0 HB3 PHE A 4 -2.160 2.151 -1.297 1.00 0.00 H new ATOM 0 HD1 PHE A 4 -3.688 -0.529 -2.704 1.00 0.00 H new ATOM 0 HD2 PHE A 4 -3.644 3.708 -3.100 1.00 0.00 H new ATOM 0 HE1 PHE A 4 -4.439 -0.748 -5.024 1.00 0.00 H new ATOM 0 HE2 PHE A 4 -4.405 3.499 -5.424 1.00 0.00 H new ATOM 0 HZ PHE A 4 -4.807 1.268 -6.393 1.00 0.00 H new ATOM 87 N ALA A 5 -3.374 0.792 1.785 1.00 0.00 N ATOM 88 CA ALA A 5 -2.908 0.981 3.139 1.00 0.00 C ATOM 89 C ALA A 5 -2.008 -0.164 3.613 1.00 0.00 C ATOM 90 O ALA A 5 -1.007 0.073 4.290 1.00 0.00 O ATOM 91 CB ALA A 5 -4.100 1.144 4.057 1.00 0.00 C ATOM 0 H ALA A 5 -4.386 0.854 1.673 1.00 0.00 H new ATOM 0 HA ALA A 5 -2.296 1.883 3.164 1.00 0.00 H new ATOM 0 HB1 ALA A 5 -3.754 1.287 5.081 1.00 0.00 H new ATOM 0 HB2 ALA A 5 -4.683 2.011 3.746 1.00 0.00 H new ATOM 0 HB3 ALA A 5 -4.723 0.251 4.006 1.00 0.00 H new ATOM 97 N TRP A 6 -2.369 -1.404 3.278 1.00 0.00 N ATOM 98 CA TRP A 6 -1.579 -2.559 3.705 1.00 0.00 C ATOM 99 C TRP A 6 -0.467 -2.925 2.719 1.00 0.00 C ATOM 100 O TRP A 6 0.054 -4.040 2.782 1.00 0.00 O ATOM 101 CB TRP A 6 -2.480 -3.780 3.937 1.00 0.00 C ATOM 102 CG TRP A 6 -3.394 -4.064 2.792 1.00 0.00 C ATOM 103 CD1 TRP A 6 -4.726 -3.821 2.756 1.00 0.00 C ATOM 104 CD2 TRP A 6 -3.049 -4.623 1.515 1.00 0.00 C ATOM 105 NE1 TRP A 6 -5.235 -4.184 1.540 1.00 0.00 N ATOM 106 CE2 TRP A 6 -4.225 -4.678 0.754 1.00 0.00 C ATOM 107 CE3 TRP A 6 -1.863 -5.072 0.943 1.00 0.00 C ATOM 108 CZ2 TRP A 6 -4.243 -5.163 -0.559 1.00 0.00 C ATOM 109 CZ3 TRP A 6 -1.870 -5.538 -0.362 1.00 0.00 C ATOM 110 CH2 TRP A 6 -3.050 -5.576 -1.100 1.00 0.00 C ATOM 0 H TRP A 6 -3.192 -1.632 2.720 1.00 0.00 H new ATOM 0 HA TRP A 6 -1.102 -2.267 4.640 1.00 0.00 H new ATOM 0 HB2 TRP A 6 -1.855 -4.654 4.120 1.00 0.00 H new ATOM 0 HB3 TRP A 6 -3.074 -3.619 4.836 1.00 0.00 H new ATOM 0 HD1 TRP A 6 -5.301 -3.402 3.568 1.00 0.00 H new ATOM 0 HE1 TRP A 6 -6.213 -4.101 1.261 1.00 0.00 H new ATOM 0 HE3 TRP A 6 -0.945 -5.058 1.511 1.00 0.00 H new ATOM 0 HZ2 TRP A 6 -5.161 -5.211 -1.126 1.00 0.00 H new ATOM 0 HZ3 TRP A 6 -0.948 -5.876 -0.812 1.00 0.00 H new ATOM 0 HH2 TRP A 6 -3.027 -5.937 -2.118 1.00 0.00 H new ATOM 121 N TRP A 7 -0.094 -2.021 1.804 1.00 0.00 N ATOM 122 CA TRP A 7 0.953 -2.364 0.836 1.00 0.00 C ATOM 123 C TRP A 7 1.473 -1.199 0.019 1.00 0.00 C ATOM 124 O TRP A 7 2.662 -1.129 -0.268 1.00 0.00 O ATOM 125 CB TRP A 7 0.428 -3.399 -0.109 1.00 0.00 C ATOM 126 CG TRP A 7 -0.538 -2.828 -1.067 1.00 0.00 C ATOM 127 CD1 TRP A 7 -1.862 -2.562 -0.894 1.00 0.00 C ATOM 128 CD2 TRP A 7 -0.213 -2.429 -2.359 1.00 0.00 C ATOM 129 NE1 TRP A 7 -2.382 -2.052 -2.046 1.00 0.00 N ATOM 130 CE2 TRP A 7 -1.375 -1.948 -2.957 1.00 0.00 C ATOM 131 CE3 TRP A 7 0.966 -2.443 -3.063 1.00 0.00 C ATOM 132 CZ2 TRP A 7 -1.389 -1.482 -4.242 1.00 0.00 C ATOM 133 CZ3 TRP A 7 0.964 -1.979 -4.334 1.00 0.00 C ATOM 134 CH2 TRP A 7 -0.207 -1.497 -4.928 1.00 0.00 C ATOM 0 H TRP A 7 -0.484 -1.083 1.714 1.00 0.00 H new ATOM 0 HA TRP A 7 1.792 -2.726 1.430 1.00 0.00 H new ATOM 0 HB2 TRP A 7 1.258 -3.848 -0.654 1.00 0.00 H new ATOM 0 HB3 TRP A 7 -0.051 -4.198 0.457 1.00 0.00 H new ATOM 0 HD1 TRP A 7 -2.416 -2.730 0.018 1.00 0.00 H new ATOM 0 HE1 TRP A 7 -3.357 -1.793 -2.199 1.00 0.00 H new ATOM 0 HE3 TRP A 7 1.874 -2.816 -2.612 1.00 0.00 H new ATOM 0 HZ2 TRP A 7 -2.298 -1.117 -4.697 1.00 0.00 H new ATOM 0 HZ3 TRP A 7 1.884 -1.981 -4.900 1.00 0.00 H new ATOM 0 HH2 TRP A 7 -0.177 -1.131 -5.944 1.00 0.00 H new ATOM 145 N TRP A 8 0.608 -0.307 -0.400 1.00 0.00 N ATOM 146 CA TRP A 8 1.063 0.810 -1.191 1.00 0.00 C ATOM 147 C TRP A 8 2.220 1.444 -0.453 1.00 0.00 C ATOM 148 O TRP A 8 3.143 1.995 -1.046 1.00 0.00 O ATOM 149 CB TRP A 8 -0.062 1.797 -1.403 1.00 0.00 C ATOM 150 CG TRP A 8 0.002 2.995 -0.521 1.00 0.00 C ATOM 151 CD1 TRP A 8 -0.685 3.215 0.633 1.00 0.00 C ATOM 152 CD2 TRP A 8 0.791 4.148 -0.751 1.00 0.00 C ATOM 153 NE1 TRP A 8 -0.377 4.458 1.131 1.00 0.00 N ATOM 154 CE2 TRP A 8 0.532 5.051 0.292 1.00 0.00 C ATOM 155 CE3 TRP A 8 1.692 4.493 -1.750 1.00 0.00 C ATOM 156 CZ2 TRP A 8 1.143 6.294 0.361 1.00 0.00 C ATOM 157 CZ3 TRP A 8 2.305 5.729 -1.684 1.00 0.00 C ATOM 158 CH2 TRP A 8 2.023 6.618 -0.634 1.00 0.00 C ATOM 0 H TRP A 8 -0.394 -0.330 -0.212 1.00 0.00 H new ATOM 0 HA TRP A 8 1.387 0.482 -2.179 1.00 0.00 H new ATOM 0 HB2 TRP A 8 -0.052 2.124 -2.443 1.00 0.00 H new ATOM 0 HB3 TRP A 8 -1.012 1.289 -1.238 1.00 0.00 H new ATOM 0 HD1 TRP A 8 -1.370 2.516 1.090 1.00 0.00 H new ATOM 0 HE1 TRP A 8 -0.760 4.871 1.982 1.00 0.00 H new ATOM 0 HE3 TRP A 8 1.908 3.811 -2.559 1.00 0.00 H new ATOM 0 HZ2 TRP A 8 0.932 6.979 1.169 1.00 0.00 H new ATOM 0 HZ3 TRP A 8 3.010 6.016 -2.450 1.00 0.00 H new ATOM 0 HH2 TRP A 8 2.513 7.580 -0.612 1.00 0.00 H new ATOM 169 N ALA A 9 2.167 1.310 0.863 1.00 0.00 N ATOM 170 CA ALA A 9 3.214 1.805 1.715 1.00 0.00 C ATOM 171 C ALA A 9 4.377 0.811 1.665 1.00 0.00 C ATOM 172 O ALA A 9 5.550 1.183 1.651 1.00 0.00 O ATOM 173 CB ALA A 9 2.698 1.988 3.132 1.00 0.00 C ATOM 0 H ALA A 9 1.399 0.857 1.359 1.00 0.00 H new ATOM 0 HA ALA A 9 3.558 2.780 1.371 1.00 0.00 H new ATOM 0 HB1 ALA A 9 3.501 2.363 3.766 1.00 0.00 H new ATOM 0 HB2 ALA A 9 1.874 2.702 3.130 1.00 0.00 H new ATOM 0 HB3 ALA A 9 2.348 1.031 3.518 1.00 0.00 H new ATOM 179 N PHE A 10 3.996 -0.469 1.599 1.00 0.00 N ATOM 180 CA PHE A 10 4.925 -1.598 1.501 1.00 0.00 C ATOM 181 C PHE A 10 5.925 -1.376 0.360 1.00 0.00 C ATOM 182 O PHE A 10 7.119 -1.622 0.515 1.00 0.00 O ATOM 183 CB PHE A 10 4.090 -2.891 1.277 1.00 0.00 C ATOM 184 CG PHE A 10 4.666 -3.912 0.328 1.00 0.00 C ATOM 185 CD1 PHE A 10 5.969 -4.369 0.458 1.00 0.00 C ATOM 186 CD2 PHE A 10 3.880 -4.419 -0.706 1.00 0.00 C ATOM 187 CE1 PHE A 10 6.480 -5.304 -0.422 1.00 0.00 C ATOM 188 CE2 PHE A 10 4.390 -5.353 -1.584 1.00 0.00 C ATOM 189 CZ PHE A 10 5.691 -5.795 -1.445 1.00 0.00 C ATOM 0 H PHE A 10 3.017 -0.754 1.612 1.00 0.00 H new ATOM 0 HA PHE A 10 5.505 -1.692 2.419 1.00 0.00 H new ATOM 0 HB2 PHE A 10 3.940 -3.371 2.244 1.00 0.00 H new ATOM 0 HB3 PHE A 10 3.106 -2.601 0.909 1.00 0.00 H new ATOM 0 HD1 PHE A 10 6.591 -3.990 1.255 1.00 0.00 H new ATOM 0 HD2 PHE A 10 2.862 -4.077 -0.821 1.00 0.00 H new ATOM 0 HE1 PHE A 10 7.497 -5.651 -0.310 1.00 0.00 H new ATOM 0 HE2 PHE A 10 3.771 -5.739 -2.381 1.00 0.00 H new ATOM 0 HZ PHE A 10 6.091 -6.523 -2.135 1.00 0.00 H new ATOM 199 N LEU A 11 5.424 -0.919 -0.786 1.00 0.00 N ATOM 200 CA LEU A 11 6.266 -0.676 -1.959 1.00 0.00 C ATOM 201 C LEU A 11 7.162 0.551 -1.779 1.00 0.00 C ATOM 202 O LEU A 11 8.280 0.589 -2.292 1.00 0.00 O ATOM 203 CB LEU A 11 5.391 -0.518 -3.212 1.00 0.00 C ATOM 204 CG LEU A 11 4.366 0.614 -3.162 1.00 0.00 C ATOM 205 CD1 LEU A 11 5.009 1.953 -3.494 1.00 0.00 C ATOM 206 CD2 LEU A 11 3.208 0.331 -4.103 1.00 0.00 C ATOM 0 H LEU A 11 4.436 -0.709 -0.929 1.00 0.00 H new ATOM 0 HA LEU A 11 6.920 -1.540 -2.080 1.00 0.00 H new ATOM 0 HB2 LEU A 11 6.043 -0.356 -4.071 1.00 0.00 H new ATOM 0 HB3 LEU A 11 4.862 -1.455 -3.385 1.00 0.00 H new ATOM 0 HG LEU A 11 3.979 0.669 -2.144 1.00 0.00 H new ATOM 0 HD11 LEU A 11 4.255 2.739 -3.451 1.00 0.00 H new ATOM 0 HD12 LEU A 11 5.798 2.166 -2.773 1.00 0.00 H new ATOM 0 HD13 LEU A 11 5.435 1.914 -4.497 1.00 0.00 H new ATOM 0 HD21 LEU A 11 2.490 1.149 -4.052 1.00 0.00 H new ATOM 0 HD22 LEU A 11 3.582 0.239 -5.123 1.00 0.00 H new ATOM 0 HD23 LEU A 11 2.720 -0.599 -3.810 1.00 0.00 H new ATOM 218 N ARG A 12 6.655 1.557 -1.070 1.00 0.00 N ATOM 219 CA ARG A 12 7.400 2.796 -0.843 1.00 0.00 C ATOM 220 C ARG A 12 8.819 2.519 -0.357 1.00 0.00 C ATOM 221 O ARG A 12 9.759 3.224 -0.725 1.00 0.00 O ATOM 222 CB ARG A 12 6.678 3.671 0.180 1.00 0.00 C ATOM 223 CG ARG A 12 5.227 3.933 -0.158 1.00 0.00 C ATOM 224 CD ARG A 12 4.581 4.861 0.857 1.00 0.00 C ATOM 225 NE ARG A 12 5.206 6.181 0.869 1.00 0.00 N ATOM 226 CZ ARG A 12 4.856 7.155 1.704 1.00 0.00 C ATOM 227 NH1 ARG A 12 3.908 6.949 2.608 1.00 0.00 N ATOM 228 NH2 ARG A 12 5.458 8.335 1.639 1.00 0.00 N ATOM 0 H ARG A 12 5.730 1.540 -0.641 1.00 0.00 H new ATOM 0 HA ARG A 12 7.459 3.318 -1.798 1.00 0.00 H new ATOM 0 HB2 ARG A 12 6.733 3.192 1.158 1.00 0.00 H new ATOM 0 HB3 ARG A 12 7.200 4.624 0.262 1.00 0.00 H new ATOM 0 HG2 ARG A 12 5.157 4.374 -1.152 1.00 0.00 H new ATOM 0 HG3 ARG A 12 4.683 2.989 -0.189 1.00 0.00 H new ATOM 0 HD2 ARG A 12 3.520 4.965 0.629 1.00 0.00 H new ATOM 0 HD3 ARG A 12 4.652 4.417 1.850 1.00 0.00 H new ATOM 0 HE ARG A 12 5.953 6.366 0.199 1.00 0.00 H new ATOM 0 HH11 ARG A 12 3.445 6.042 2.664 1.00 0.00 H new ATOM 0 HH12 ARG A 12 3.642 7.698 3.247 1.00 0.00 H new ATOM 0 HH21 ARG A 12 6.191 8.496 0.948 1.00 0.00 H new ATOM 0 HH22 ARG A 12 5.188 9.081 2.280 1.00 0.00 H new ATOM 242 N ARG A 13 8.961 1.500 0.482 1.00 0.00 N ATOM 243 CA ARG A 13 10.259 1.134 1.036 1.00 0.00 C ATOM 244 C ARG A 13 11.298 0.948 -0.069 1.00 0.00 C ATOM 245 O ARG A 13 12.505 0.947 0.253 1.00 0.00 O ATOM 246 CB ARG A 13 10.132 -0.151 1.853 1.00 0.00 C ATOM 247 CG ARG A 13 9.999 -1.404 1.002 1.00 0.00 C ATOM 248 CD ARG A 13 9.888 -2.655 1.858 1.00 0.00 C ATOM 249 NE ARG A 13 9.766 -3.861 1.044 1.00 0.00 N ATOM 250 CZ ARG A 13 9.640 -5.085 1.549 1.00 0.00 C ATOM 251 NH1 ARG A 13 9.611 -5.263 2.863 1.00 0.00 N ATOM 252 NH2 ARG A 13 9.540 -6.130 0.740 1.00 0.00 N ATOM 0 H ARG A 13 8.190 0.910 0.795 1.00 0.00 H new ATOM 0 HA ARG A 13 10.593 1.945 1.683 1.00 0.00 H new ATOM 0 HB2 ARG A 13 11.006 -0.250 2.496 1.00 0.00 H new ATOM 0 HB3 ARG A 13 9.263 -0.072 2.506 1.00 0.00 H new ATOM 0 HG2 ARG A 13 9.119 -1.320 0.365 1.00 0.00 H new ATOM 0 HG3 ARG A 13 10.863 -1.490 0.343 1.00 0.00 H new ATOM 0 HD2 ARG A 13 10.766 -2.736 2.498 1.00 0.00 H new ATOM 0 HD3 ARG A 13 9.022 -2.570 2.514 1.00 0.00 H new ATOM 0 HE ARG A 13 9.778 -3.759 0.029 1.00 0.00 H new ATOM 0 HH11 ARG A 13 9.685 -4.460 3.488 1.00 0.00 H new ATOM 0 HH12 ARG A 13 9.514 -6.202 3.248 1.00 0.00 H new ATOM 0 HH21 ARG A 13 9.560 -5.996 -0.271 1.00 0.00 H new ATOM 0 HH22 ARG A 13 9.443 -7.068 1.128 1.00 0.00 H new HETATM 266 N NH2 A 14 10.898 0.607 -1.289 1.00 0.00 N TER 269 NH2 A 14