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+ -121:sc= -0.451 (180deg=-0.511) USER MOD ----------------------------------------------------------------- ATOM 1 N VAL A 1 5.025 -5.954 2.684 1.00 0.00 N ATOM 2 CA VAL A 1 5.494 -5.170 1.513 1.00 0.00 C ATOM 3 C VAL A 1 6.207 -3.896 1.954 1.00 0.00 C ATOM 4 O VAL A 1 5.893 -3.329 3.001 1.00 0.00 O ATOM 5 CB VAL A 1 4.327 -4.801 0.578 1.00 0.00 C ATOM 6 CG1 VAL A 1 3.654 -6.058 0.048 1.00 0.00 C ATOM 7 CG2 VAL A 1 3.321 -3.911 1.291 1.00 0.00 C ATOM 0 H1 VAL A 1 5.455 -6.901 2.663 1.00 0.00 H new ATOM 0 H2 VAL A 1 5.302 -5.468 3.561 1.00 0.00 H new ATOM 0 H3 VAL A 1 3.989 -6.043 2.650 1.00 0.00 H new ATOM 0 HA VAL A 1 6.195 -5.803 0.969 1.00 0.00 H new ATOM 0 HB VAL A 1 4.729 -4.243 -0.267 1.00 0.00 H new ATOM 0 HG11 VAL A 1 2.832 -5.780 -0.611 1.00 0.00 H new ATOM 0 HG12 VAL A 1 4.379 -6.652 -0.508 1.00 0.00 H new ATOM 0 HG13 VAL A 1 3.268 -6.644 0.882 1.00 0.00 H new ATOM 0 HG21 VAL A 1 2.507 -3.664 0.610 1.00 0.00 H new ATOM 0 HG22 VAL A 1 2.922 -4.436 2.159 1.00 0.00 H new ATOM 0 HG23 VAL A 1 3.813 -2.994 1.616 1.00 0.00 H new ATOM 19 N ARG A 2 7.176 -3.462 1.153 1.00 0.00 N ATOM 20 CA ARG A 2 7.951 -2.262 1.455 1.00 0.00 C ATOM 21 C ARG A 2 7.050 -1.023 1.530 1.00 0.00 C ATOM 22 O ARG A 2 6.240 -0.892 2.447 1.00 0.00 O ATOM 23 CB ARG A 2 9.050 -2.070 0.404 1.00 0.00 C ATOM 24 CG ARG A 2 10.058 -0.985 0.756 1.00 0.00 C ATOM 25 CD ARG A 2 10.846 -1.338 2.009 1.00 0.00 C ATOM 26 NE ARG A 2 11.824 -0.308 2.352 1.00 0.00 N ATOM 27 CZ ARG A 2 12.855 0.023 1.578 1.00 0.00 C ATOM 28 NH1 ARG A 2 13.058 -0.606 0.427 1.00 0.00 N ATOM 29 NH2 ARG A 2 13.689 0.982 1.958 1.00 0.00 N ATOM 0 H ARG A 2 7.444 -3.926 0.285 1.00 0.00 H new ATOM 0 HA ARG A 2 8.416 -2.391 2.432 1.00 0.00 H new ATOM 0 HB2 ARG A 2 9.579 -3.014 0.269 1.00 0.00 H new ATOM 0 HB3 ARG A 2 8.586 -1.825 -0.552 1.00 0.00 H new ATOM 0 HG2 ARG A 2 10.745 -0.841 -0.078 1.00 0.00 H new ATOM 0 HG3 ARG A 2 9.538 -0.039 0.907 1.00 0.00 H new ATOM 0 HD2 ARG A 2 10.158 -1.476 2.843 1.00 0.00 H new ATOM 0 HD3 ARG A 2 11.359 -2.288 1.859 1.00 0.00 H new ATOM 0 HE ARG A 2 11.710 0.187 3.237 1.00 0.00 H new ATOM 0 HH11 ARG A 2 12.422 -1.347 0.132 1.00 0.00 H new ATOM 0 HH12 ARG A 2 13.850 -0.348 -0.162 1.00 0.00 H new ATOM 0 HH21 ARG A 2 13.540 1.466 2.844 1.00 0.00 H new ATOM 0 HH22 ARG A 2 14.479 1.235 1.365 1.00 0.00 H new ATOM 43 N ARG A 3 7.202 -0.110 0.572 1.00 0.00 N ATOM 44 CA ARG A 3 6.408 1.115 0.544 1.00 0.00 C ATOM 45 C ARG A 3 4.915 0.808 0.468 1.00 0.00 C ATOM 46 O ARG A 3 4.101 1.491 1.082 1.00 0.00 O ATOM 47 CB ARG A 3 6.827 1.988 -0.640 1.00 0.00 C ATOM 48 CG ARG A 3 6.642 1.315 -1.990 1.00 0.00 C ATOM 49 CD ARG A 3 7.127 2.203 -3.125 1.00 0.00 C ATOM 50 NE ARG A 3 8.556 2.492 -3.023 1.00 0.00 N ATOM 51 CZ ARG A 3 9.508 1.564 -3.101 1.00 0.00 C ATOM 52 NH1 ARG A 3 9.189 0.293 -3.303 1.00 0.00 N ATOM 53 NH2 ARG A 3 10.783 1.910 -2.981 1.00 0.00 N ATOM 0 H ARG A 3 7.869 -0.197 -0.195 1.00 0.00 H new ATOM 0 HA ARG A 3 6.593 1.656 1.472 1.00 0.00 H new ATOM 0 HB2 ARG A 3 6.248 2.912 -0.622 1.00 0.00 H new ATOM 0 HB3 ARG A 3 7.874 2.266 -0.523 1.00 0.00 H new ATOM 0 HG2 ARG A 3 7.188 0.372 -2.006 1.00 0.00 H new ATOM 0 HG3 ARG A 3 5.589 1.076 -2.138 1.00 0.00 H new ATOM 0 HD2 ARG A 3 6.923 1.716 -4.079 1.00 0.00 H new ATOM 0 HD3 ARG A 3 6.567 3.138 -3.118 1.00 0.00 H new ATOM 0 HE ARG A 3 8.841 3.461 -2.884 1.00 0.00 H new ATOM 0 HH11 ARG A 3 8.210 0.022 -3.400 1.00 0.00 H new ATOM 0 HH12 ARG A 3 9.922 -0.414 -3.362 1.00 0.00 H new ATOM 0 HH21 ARG A 3 11.034 2.887 -2.829 1.00 0.00 H new ATOM 0 HH22 ARG A 3 11.512 1.199 -3.041 1.00 0.00 H new ATOM 67 N PHE A 4 4.561 -0.219 -0.289 1.00 0.00 N ATOM 68 CA PHE A 4 3.164 -0.615 -0.448 1.00 0.00 C ATOM 69 C PHE A 4 2.454 -0.710 0.889 1.00 0.00 C ATOM 70 O PHE A 4 1.239 -0.573 0.977 1.00 0.00 O ATOM 71 CB PHE A 4 3.086 -1.949 -1.182 1.00 0.00 C ATOM 72 CG PHE A 4 3.607 -1.878 -2.585 1.00 0.00 C ATOM 73 CD1 PHE A 4 3.903 -0.653 -3.159 1.00 0.00 C ATOM 74 CD2 PHE A 4 3.827 -3.028 -3.318 1.00 0.00 C ATOM 75 CE1 PHE A 4 4.405 -0.574 -4.436 1.00 0.00 C ATOM 76 CE2 PHE A 4 4.327 -2.958 -4.603 1.00 0.00 C ATOM 77 CZ PHE A 4 4.618 -1.728 -5.165 1.00 0.00 C ATOM 0 H PHE A 4 5.223 -0.798 -0.806 1.00 0.00 H new ATOM 0 HA PHE A 4 2.660 0.153 -1.035 1.00 0.00 H new ATOM 0 HB2 PHE A 4 3.654 -2.696 -0.627 1.00 0.00 H new ATOM 0 HB3 PHE A 4 2.050 -2.286 -1.202 1.00 0.00 H new ATOM 0 HD1 PHE A 4 3.737 0.253 -2.595 1.00 0.00 H new ATOM 0 HD2 PHE A 4 3.606 -3.991 -2.882 1.00 0.00 H new ATOM 0 HE1 PHE A 4 4.633 0.389 -4.869 1.00 0.00 H new ATOM 0 HE2 PHE A 4 4.491 -3.863 -5.169 1.00 0.00 H new ATOM 0 HZ PHE A 4 5.010 -1.670 -6.170 1.00 0.00 H new ATOM 87 N ALA A 5 3.217 -0.958 1.926 1.00 0.00 N ATOM 88 CA ALA A 5 2.662 -1.089 3.254 1.00 0.00 C ATOM 89 C ALA A 5 1.849 0.140 3.672 1.00 0.00 C ATOM 90 O ALA A 5 0.808 0.004 4.316 1.00 0.00 O ATOM 91 CB ALA A 5 3.783 -1.358 4.236 1.00 0.00 C ATOM 0 H ALA A 5 4.229 -1.074 1.876 1.00 0.00 H new ATOM 0 HA ALA A 5 1.966 -1.928 3.251 1.00 0.00 H new ATOM 0 HB1 ALA A 5 3.371 -1.458 5.240 1.00 0.00 H new ATOM 0 HB2 ALA A 5 4.295 -2.280 3.960 1.00 0.00 H new ATOM 0 HB3 ALA A 5 4.491 -0.530 4.215 1.00 0.00 H new ATOM 97 N TRP A 6 2.326 1.337 3.326 1.00 0.00 N ATOM 98 CA TRP A 6 1.622 2.564 3.703 1.00 0.00 C ATOM 99 C TRP A 6 0.578 3.004 2.671 1.00 0.00 C ATOM 100 O TRP A 6 0.148 4.157 2.701 1.00 0.00 O ATOM 101 CB TRP A 6 2.615 3.710 3.947 1.00 0.00 C ATOM 102 CG TRP A 6 3.583 3.898 2.829 1.00 0.00 C ATOM 103 CD1 TRP A 6 4.889 3.538 2.835 1.00 0.00 C ATOM 104 CD2 TRP A 6 3.326 4.470 1.538 1.00 0.00 C ATOM 105 NE1 TRP A 6 5.463 3.839 1.631 1.00 0.00 N ATOM 106 CE2 TRP A 6 4.523 4.411 0.812 1.00 0.00 C ATOM 107 CE3 TRP A 6 2.201 5.017 0.927 1.00 0.00 C ATOM 108 CZ2 TRP A 6 4.622 4.876 -0.504 1.00 0.00 C ATOM 109 CZ3 TRP A 6 2.288 5.463 -0.381 1.00 0.00 C ATOM 110 CH2 TRP A 6 3.487 5.386 -1.084 1.00 0.00 C ATOM 0 H TRP A 6 3.184 1.483 2.793 1.00 0.00 H new ATOM 0 HA TRP A 6 1.089 2.331 4.625 1.00 0.00 H new ATOM 0 HB2 TRP A 6 2.061 4.636 4.098 1.00 0.00 H new ATOM 0 HB3 TRP A 6 3.166 3.515 4.867 1.00 0.00 H new ATOM 0 HD1 TRP A 6 5.401 3.080 3.668 1.00 0.00 H new ATOM 0 HE1 TRP A 6 6.437 3.666 1.381 1.00 0.00 H new ATOM 0 HE3 TRP A 6 1.269 5.093 1.468 1.00 0.00 H new ATOM 0 HZ2 TRP A 6 5.557 4.835 -1.044 1.00 0.00 H new ATOM 0 HZ3 TRP A 6 1.414 5.876 -0.862 1.00 0.00 H new ATOM 0 HH2 TRP A 6 3.525 5.734 -2.106 1.00 0.00 H new ATOM 121 N TRP A 7 0.165 2.118 1.754 1.00 0.00 N ATOM 122 CA TRP A 7 -0.817 2.528 0.741 1.00 0.00 C ATOM 123 C TRP A 7 -1.384 1.393 -0.088 1.00 0.00 C ATOM 124 O TRP A 7 -2.559 1.408 -0.433 1.00 0.00 O ATOM 125 CB TRP A 7 -0.180 3.509 -0.187 1.00 0.00 C ATOM 126 CG TRP A 7 0.781 2.849 -1.088 1.00 0.00 C ATOM 127 CD1 TRP A 7 2.059 2.456 -0.833 1.00 0.00 C ATOM 128 CD2 TRP A 7 0.497 2.477 -2.395 1.00 0.00 C ATOM 129 NE1 TRP A 7 2.596 1.893 -1.952 1.00 0.00 N ATOM 130 CE2 TRP A 7 1.640 1.885 -2.924 1.00 0.00 C ATOM 131 CE3 TRP A 7 -0.632 2.604 -3.168 1.00 0.00 C ATOM 132 CZ2 TRP A 7 1.685 1.414 -4.206 1.00 0.00 C ATOM 133 CZ3 TRP A 7 -0.600 2.137 -4.437 1.00 0.00 C ATOM 134 CH2 TRP A 7 0.553 1.541 -4.961 1.00 0.00 C ATOM 0 H TRP A 7 0.480 1.150 1.691 1.00 0.00 H new ATOM 0 HA TRP A 7 -1.651 2.957 1.295 1.00 0.00 H new ATOM 0 HB2 TRP A 7 -0.950 4.008 -0.776 1.00 0.00 H new ATOM 0 HB3 TRP A 7 0.330 4.280 0.390 1.00 0.00 H new ATOM 0 HD1 TRP A 7 2.569 2.572 0.112 1.00 0.00 H new ATOM 0 HE1 TRP A 7 3.548 1.539 -2.046 1.00 0.00 H new ATOM 0 HE3 TRP A 7 -1.524 3.066 -2.772 1.00 0.00 H new ATOM 0 HZ2 TRP A 7 2.579 0.960 -4.606 1.00 0.00 H new ATOM 0 HZ3 TRP A 7 -1.480 2.226 -5.057 1.00 0.00 H new ATOM 0 HH2 TRP A 7 0.548 1.176 -5.977 1.00 0.00 H new ATOM 145 N TRP A 8 -0.574 0.425 -0.446 1.00 0.00 N ATOM 146 CA TRP A 8 -1.086 -0.670 -1.234 1.00 0.00 C ATOM 147 C TRP A 8 -2.296 -1.202 -0.503 1.00 0.00 C ATOM 148 O TRP A 8 -3.248 -1.698 -1.099 1.00 0.00 O ATOM 149 CB TRP A 8 -0.029 -1.738 -1.405 1.00 0.00 C ATOM 150 CG TRP A 8 -0.281 -2.961 -0.597 1.00 0.00 C ATOM 151 CD1 TRP A 8 0.214 -3.256 0.635 1.00 0.00 C ATOM 152 CD2 TRP A 8 -1.096 -4.055 -0.982 1.00 0.00 C ATOM 153 NE1 TRP A 8 -0.232 -4.492 1.035 1.00 0.00 N ATOM 154 CE2 TRP A 8 -1.043 -5.003 0.053 1.00 0.00 C ATOM 155 CE3 TRP A 8 -1.861 -4.316 -2.113 1.00 0.00 C ATOM 156 CZ2 TRP A 8 -1.731 -6.207 -0.013 1.00 0.00 C ATOM 157 CZ3 TRP A 8 -2.548 -5.512 -2.181 1.00 0.00 C ATOM 158 CH2 TRP A 8 -2.476 -6.446 -1.135 1.00 0.00 C ATOM 0 H TRP A 8 0.417 0.372 -0.212 1.00 0.00 H new ATOM 0 HA TRP A 8 -1.362 -0.343 -2.236 1.00 0.00 H new ATOM 0 HB2 TRP A 8 0.029 -2.014 -2.458 1.00 0.00 H new ATOM 0 HB3 TRP A 8 0.941 -1.324 -1.130 1.00 0.00 H new ATOM 0 HD1 TRP A 8 0.862 -2.614 1.213 1.00 0.00 H new ATOM 0 HE1 TRP A 8 0.001 -4.953 1.915 1.00 0.00 H new ATOM 0 HE3 TRP A 8 -1.917 -3.600 -2.920 1.00 0.00 H new ATOM 0 HZ2 TRP A 8 -1.680 -6.927 0.790 1.00 0.00 H new ATOM 0 HZ3 TRP A 8 -3.149 -5.732 -3.051 1.00 0.00 H new ATOM 0 HH2 TRP A 8 -3.021 -7.374 -1.218 1.00 0.00 H new ATOM 169 N ALA A 9 -2.249 -1.032 0.811 1.00 0.00 N ATOM 170 CA ALA A 9 -3.336 -1.420 1.667 1.00 0.00 C ATOM 171 C ALA A 9 -4.441 -0.368 1.537 1.00 0.00 C ATOM 172 O ALA A 9 -5.632 -0.673 1.546 1.00 0.00 O ATOM 173 CB ALA A 9 -2.854 -1.545 3.102 1.00 0.00 C ATOM 0 H ALA A 9 -1.455 -0.622 1.302 1.00 0.00 H new ATOM 0 HA ALA A 9 -3.728 -2.394 1.373 1.00 0.00 H new ATOM 0 HB1 ALA A 9 -3.686 -1.839 3.741 1.00 0.00 H new ATOM 0 HB2 ALA A 9 -2.069 -2.299 3.158 1.00 0.00 H new ATOM 0 HB3 ALA A 9 -2.460 -0.586 3.438 1.00 0.00 H new ATOM 179 N PHE A 10 -3.990 0.878 1.384 1.00 0.00 N ATOM 180 CA PHE A 10 -4.850 2.052 1.203 1.00 0.00 C ATOM 181 C PHE A 10 -5.807 1.862 0.017 1.00 0.00 C ATOM 182 O PHE A 10 -6.972 2.254 0.083 1.00 0.00 O ATOM 183 CB PHE A 10 -3.933 3.292 0.989 1.00 0.00 C ATOM 184 CG PHE A 10 -4.400 4.309 -0.023 1.00 0.00 C ATOM 185 CD1 PHE A 10 -5.673 4.855 0.036 1.00 0.00 C ATOM 186 CD2 PHE A 10 -3.542 4.723 -1.042 1.00 0.00 C ATOM 187 CE1 PHE A 10 -6.087 5.786 -0.898 1.00 0.00 C ATOM 188 CE2 PHE A 10 -3.955 5.653 -1.975 1.00 0.00 C ATOM 189 CZ PHE A 10 -5.229 6.184 -1.905 1.00 0.00 C ATOM 0 H PHE A 10 -2.996 1.106 1.382 1.00 0.00 H new ATOM 0 HA PHE A 10 -5.471 2.196 2.087 1.00 0.00 H new ATOM 0 HB2 PHE A 10 -3.812 3.796 1.948 1.00 0.00 H new ATOM 0 HB3 PHE A 10 -2.947 2.939 0.687 1.00 0.00 H new ATOM 0 HD1 PHE A 10 -6.349 4.549 0.821 1.00 0.00 H new ATOM 0 HD2 PHE A 10 -2.545 4.312 -1.102 1.00 0.00 H new ATOM 0 HE1 PHE A 10 -7.082 6.203 -0.841 1.00 0.00 H new ATOM 0 HE2 PHE A 10 -3.282 5.966 -2.760 1.00 0.00 H new ATOM 0 HZ PHE A 10 -5.553 6.909 -2.637 1.00 0.00 H new ATOM 199 N LEU A 11 -5.305 1.280 -1.073 1.00 0.00 N ATOM 200 CA LEU A 11 -6.114 1.072 -2.274 1.00 0.00 C ATOM 201 C LEU A 11 -7.086 -0.100 -2.133 1.00 0.00 C ATOM 202 O LEU A 11 -8.242 -0.002 -2.546 1.00 0.00 O ATOM 203 CB LEU A 11 -5.206 0.877 -3.500 1.00 0.00 C ATOM 204 CG LEU A 11 -4.225 -0.294 -3.425 1.00 0.00 C ATOM 205 CD1 LEU A 11 -4.896 -1.601 -3.820 1.00 0.00 C ATOM 206 CD2 LEU A 11 -3.016 -0.031 -4.305 1.00 0.00 C ATOM 0 H LEU A 11 -4.345 0.945 -1.149 1.00 0.00 H new ATOM 0 HA LEU A 11 -6.720 1.968 -2.412 1.00 0.00 H new ATOM 0 HB2 LEU A 11 -5.838 0.741 -4.378 1.00 0.00 H new ATOM 0 HB3 LEU A 11 -4.637 1.793 -3.656 1.00 0.00 H new ATOM 0 HG LEU A 11 -3.892 -0.387 -2.391 1.00 0.00 H new ATOM 0 HD11 LEU A 11 -4.173 -2.415 -3.757 1.00 0.00 H new ATOM 0 HD12 LEU A 11 -5.728 -1.801 -3.145 1.00 0.00 H new ATOM 0 HD13 LEU A 11 -5.268 -1.525 -4.842 1.00 0.00 H new ATOM 0 HD21 LEU A 11 -2.328 -0.874 -4.240 1.00 0.00 H new ATOM 0 HD22 LEU A 11 -3.339 0.095 -5.338 1.00 0.00 H new ATOM 0 HD23 LEU A 11 -2.512 0.875 -3.969 1.00 0.00 H new ATOM 218 N ARG A 12 -6.617 -1.210 -1.572 1.00 0.00 N ATOM 219 CA ARG A 12 -7.448 -2.387 -1.410 1.00 0.00 C ATOM 220 C ARG A 12 -8.594 -2.154 -0.426 1.00 0.00 C ATOM 221 O ARG A 12 -9.723 -2.580 -0.672 1.00 0.00 O ATOM 222 CB ARG A 12 -6.595 -3.569 -0.962 1.00 0.00 C ATOM 223 CG ARG A 12 -5.547 -3.221 0.071 1.00 0.00 C ATOM 224 CD ARG A 12 -4.835 -4.458 0.607 1.00 0.00 C ATOM 225 NE ARG A 12 -5.739 -5.361 1.321 1.00 0.00 N ATOM 226 CZ ARG A 12 -6.503 -6.278 0.729 1.00 0.00 C ATOM 227 NH1 ARG A 12 -6.420 -6.480 -0.579 1.00 0.00 N ATOM 228 NH2 ARG A 12 -7.338 -7.011 1.454 1.00 0.00 N ATOM 0 H ARG A 12 -5.664 -1.314 -1.223 1.00 0.00 H new ATOM 0 HA ARG A 12 -7.897 -2.609 -2.378 1.00 0.00 H new ATOM 0 HB2 ARG A 12 -7.248 -4.340 -0.555 1.00 0.00 H new ATOM 0 HB3 ARG A 12 -6.101 -3.997 -1.834 1.00 0.00 H new ATOM 0 HG2 ARG A 12 -4.815 -2.545 -0.370 1.00 0.00 H new ATOM 0 HG3 ARG A 12 -6.017 -2.687 0.897 1.00 0.00 H new ATOM 0 HD2 ARG A 12 -4.371 -4.994 -0.221 1.00 0.00 H new ATOM 0 HD3 ARG A 12 -4.032 -4.149 1.276 1.00 0.00 H new ATOM 0 HE ARG A 12 -5.787 -5.283 2.337 1.00 0.00 H new ATOM 0 HH11 ARG A 12 -5.768 -5.931 -1.139 1.00 0.00 H new ATOM 0 HH12 ARG A 12 -7.008 -7.184 -1.025 1.00 0.00 H new ATOM 0 HH21 ARG A 12 -7.394 -6.872 2.463 1.00 0.00 H new ATOM 0 HH22 ARG A 12 -7.924 -7.713 1.002 1.00 0.00 H new ATOM 242 N ARG A 13 -8.305 -1.486 0.687 1.00 0.00 N ATOM 243 CA ARG A 13 -9.325 -1.215 1.697 1.00 0.00 C ATOM 244 C ARG A 13 -10.444 -0.345 1.131 1.00 0.00 C ATOM 245 O ARG A 13 -11.624 -0.668 1.384 1.00 0.00 O ATOM 246 CB ARG A 13 -8.699 -0.556 2.936 1.00 0.00 C ATOM 247 CG ARG A 13 -7.989 0.766 2.666 1.00 0.00 C ATOM 248 CD ARG A 13 -8.968 1.917 2.490 1.00 0.00 C ATOM 249 NE ARG A 13 -8.283 3.198 2.333 1.00 0.00 N ATOM 250 CZ ARG A 13 -8.913 4.351 2.128 1.00 0.00 C ATOM 251 NH1 ARG A 13 -10.236 4.380 2.034 1.00 0.00 N ATOM 252 NH2 ARG A 13 -8.219 5.476 2.013 1.00 0.00 N ATOM 0 H ARG A 13 -7.378 -1.124 0.912 1.00 0.00 H new ATOM 0 HA ARG A 13 -9.761 -2.168 1.997 1.00 0.00 H new ATOM 0 HB2 ARG A 13 -9.482 -0.388 3.675 1.00 0.00 H new ATOM 0 HB3 ARG A 13 -7.986 -1.251 3.379 1.00 0.00 H new ATOM 0 HG2 ARG A 13 -7.313 0.989 3.492 1.00 0.00 H new ATOM 0 HG3 ARG A 13 -7.377 0.671 1.769 1.00 0.00 H new ATOM 0 HD2 ARG A 13 -9.594 1.731 1.617 1.00 0.00 H new ATOM 0 HD3 ARG A 13 -9.632 1.964 3.353 1.00 0.00 H new ATOM 0 HE ARG A 13 -7.264 3.208 2.383 1.00 0.00 H new ATOM 0 HH11 ARG A 13 -10.772 3.517 2.119 1.00 0.00 H new ATOM 0 HH12 ARG A 13 -10.717 5.266 1.877 1.00 0.00 H new ATOM 0 HH21 ARG A 13 -7.202 5.457 2.082 1.00 0.00 H new ATOM 0 HH22 ARG A 13 -8.703 6.360 1.856 1.00 0.00 H new HETATM 266 N NH2 A 14 -10.267 0.263 -0.036 1.00 0.00 N TER 269 NH2 A 14