USER MOD reduce.3.24.130724 H: found=0, std=0, add=136, rem=0, adj=1 USER MOD reduce.3.24.130724 removed 138 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+ -179:sc= -0.459 (180deg=-0.471) USER MOD ----------------------------------------------------------------- ATOM 1 N VAL A 1 9.370 -2.907 5.502 1.00 0.00 N ATOM 2 CA VAL A 1 8.686 -3.123 4.201 1.00 0.00 C ATOM 3 C VAL A 1 8.718 -1.860 3.348 1.00 0.00 C ATOM 4 O VAL A 1 8.550 -0.751 3.856 1.00 0.00 O ATOM 5 CB VAL A 1 7.219 -3.556 4.401 1.00 0.00 C ATOM 6 CG1 VAL A 1 7.148 -4.859 5.181 1.00 0.00 C ATOM 7 CG2 VAL A 1 6.426 -2.463 5.104 1.00 0.00 C ATOM 0 H1 VAL A 1 9.349 -3.787 6.056 1.00 0.00 H new ATOM 0 H2 VAL A 1 10.358 -2.628 5.333 1.00 0.00 H new ATOM 0 H3 VAL A 1 8.883 -2.154 6.029 1.00 0.00 H new ATOM 0 HA VAL A 1 9.226 -3.920 3.689 1.00 0.00 H new ATOM 0 HB VAL A 1 6.774 -3.720 3.420 1.00 0.00 H new ATOM 0 HG11 VAL A 1 6.105 -5.148 5.312 1.00 0.00 H new ATOM 0 HG12 VAL A 1 7.675 -5.640 4.633 1.00 0.00 H new ATOM 0 HG13 VAL A 1 7.613 -4.724 6.158 1.00 0.00 H new ATOM 0 HG21 VAL A 1 5.394 -2.789 5.235 1.00 0.00 H new ATOM 0 HG22 VAL A 1 6.870 -2.262 6.079 1.00 0.00 H new ATOM 0 HG23 VAL A 1 6.446 -1.555 4.502 1.00 0.00 H new ATOM 19 N ARG A 2 8.931 -2.035 2.047 1.00 0.00 N ATOM 20 CA ARG A 2 8.980 -0.908 1.123 1.00 0.00 C ATOM 21 C ARG A 2 8.977 -1.395 -0.322 1.00 0.00 C ATOM 22 O ARG A 2 9.958 -1.966 -0.799 1.00 0.00 O ATOM 23 CB ARG A 2 10.225 -0.059 1.388 1.00 0.00 C ATOM 24 CG ARG A 2 10.306 1.193 0.530 1.00 0.00 C ATOM 25 CD ARG A 2 11.572 1.984 0.820 1.00 0.00 C ATOM 26 NE ARG A 2 11.675 2.362 2.228 1.00 0.00 N ATOM 27 CZ ARG A 2 10.818 3.172 2.845 1.00 0.00 C ATOM 28 NH1 ARG A 2 9.803 3.707 2.180 1.00 0.00 N ATOM 29 NH2 ARG A 2 10.981 3.452 4.131 1.00 0.00 N ATOM 0 H ARG A 2 9.072 -2.946 1.610 1.00 0.00 H new ATOM 0 HA ARG A 2 8.093 -0.295 1.283 1.00 0.00 H new ATOM 0 HB2 ARG A 2 10.240 0.230 2.439 1.00 0.00 H new ATOM 0 HB3 ARG A 2 11.112 -0.667 1.212 1.00 0.00 H new ATOM 0 HG2 ARG A 2 10.282 0.916 -0.524 1.00 0.00 H new ATOM 0 HG3 ARG A 2 9.433 1.820 0.715 1.00 0.00 H new ATOM 0 HD2 ARG A 2 12.442 1.390 0.540 1.00 0.00 H new ATOM 0 HD3 ARG A 2 11.587 2.882 0.202 1.00 0.00 H new ATOM 0 HE ARG A 2 12.451 1.982 2.771 1.00 0.00 H new ATOM 0 HH11 ARG A 2 9.676 3.498 1.190 1.00 0.00 H new ATOM 0 HH12 ARG A 2 9.150 4.327 2.659 1.00 0.00 H new ATOM 0 HH21 ARG A 2 11.763 3.047 4.646 1.00 0.00 H new ATOM 0 HH22 ARG A 2 10.325 4.073 4.605 1.00 0.00 H new ATOM 43 N ARG A 3 7.861 -1.158 -1.010 1.00 0.00 N ATOM 44 CA ARG A 3 7.694 -1.557 -2.401 1.00 0.00 C ATOM 45 C ARG A 3 6.290 -1.232 -2.818 1.00 0.00 C ATOM 46 O ARG A 3 5.664 -1.938 -3.609 1.00 0.00 O ATOM 47 CB ARG A 3 7.968 -3.049 -2.587 1.00 0.00 C ATOM 48 CG ARG A 3 7.080 -3.927 -1.728 1.00 0.00 C ATOM 49 CD ARG A 3 7.162 -5.393 -2.127 1.00 0.00 C ATOM 50 NE ARG A 3 8.503 -5.955 -1.951 1.00 0.00 N ATOM 51 CZ ARG A 3 9.486 -5.839 -2.842 1.00 0.00 C ATOM 52 NH1 ARG A 3 9.269 -5.241 -4.006 1.00 0.00 N ATOM 53 NH2 ARG A 3 10.683 -6.343 -2.576 1.00 0.00 N ATOM 0 H ARG A 3 7.049 -0.684 -0.616 1.00 0.00 H new ATOM 0 HA ARG A 3 8.410 -1.016 -3.020 1.00 0.00 H new ATOM 0 HB2 ARG A 3 7.824 -3.311 -3.635 1.00 0.00 H new ATOM 0 HB3 ARG A 3 9.012 -3.253 -2.348 1.00 0.00 H new ATOM 0 HG2 ARG A 3 7.369 -3.820 -0.682 1.00 0.00 H new ATOM 0 HG3 ARG A 3 6.048 -3.587 -1.810 1.00 0.00 H new ATOM 0 HD2 ARG A 3 6.452 -5.967 -1.532 1.00 0.00 H new ATOM 0 HD3 ARG A 3 6.863 -5.498 -3.170 1.00 0.00 H new ATOM 0 HE ARG A 3 8.696 -6.468 -1.091 1.00 0.00 H new ATOM 0 HH11 ARG A 3 8.345 -4.867 -4.223 1.00 0.00 H new ATOM 0 HH12 ARG A 3 10.026 -5.155 -4.684 1.00 0.00 H new ATOM 0 HH21 ARG A 3 10.850 -6.819 -1.690 1.00 0.00 H new ATOM 0 HH22 ARG A 3 11.437 -6.255 -3.258 1.00 0.00 H new ATOM 67 N PHE A 4 5.805 -0.146 -2.257 1.00 0.00 N ATOM 68 CA PHE A 4 4.476 0.312 -2.529 1.00 0.00 C ATOM 69 C PHE A 4 4.282 1.744 -2.071 1.00 0.00 C ATOM 70 O PHE A 4 5.076 2.289 -1.304 1.00 0.00 O ATOM 71 CB PHE A 4 3.448 -0.559 -1.820 1.00 0.00 C ATOM 72 CG PHE A 4 3.605 -0.616 -0.327 1.00 0.00 C ATOM 73 CD1 PHE A 4 4.627 -1.347 0.253 1.00 0.00 C ATOM 74 CD2 PHE A 4 2.729 0.082 0.497 1.00 0.00 C ATOM 75 CE1 PHE A 4 4.775 -1.389 1.627 1.00 0.00 C ATOM 76 CE2 PHE A 4 2.875 0.045 1.871 1.00 0.00 C ATOM 77 CZ PHE A 4 3.898 -0.692 2.437 1.00 0.00 C ATOM 0 H PHE A 4 6.326 0.438 -1.602 1.00 0.00 H new ATOM 0 HA PHE A 4 4.335 0.253 -3.608 1.00 0.00 H new ATOM 0 HB2 PHE A 4 2.451 -0.186 -2.054 1.00 0.00 H new ATOM 0 HB3 PHE A 4 3.511 -1.572 -2.218 1.00 0.00 H new ATOM 0 HD1 PHE A 4 5.317 -1.891 -0.375 1.00 0.00 H new ATOM 0 HD2 PHE A 4 1.927 0.658 0.059 1.00 0.00 H new ATOM 0 HE1 PHE A 4 5.575 -1.966 2.067 1.00 0.00 H new ATOM 0 HE2 PHE A 4 2.190 0.592 2.502 1.00 0.00 H new ATOM 0 HZ PHE A 4 4.012 -0.723 3.510 1.00 0.00 H new ATOM 87 N PRO A 5 3.187 2.346 -2.523 1.00 0.00 N ATOM 88 CA PRO A 5 2.817 3.708 -2.159 1.00 0.00 C ATOM 89 C PRO A 5 2.679 3.864 -0.643 1.00 0.00 C ATOM 90 O PRO A 5 3.554 4.428 0.013 1.00 0.00 O ATOM 91 CB PRO A 5 1.450 3.885 -2.833 1.00 0.00 C ATOM 92 CG PRO A 5 1.388 2.853 -3.900 1.00 0.00 C ATOM 93 CD PRO A 5 2.201 1.714 -3.405 1.00 0.00 C ATOM 0 HA PRO A 5 3.561 4.442 -2.468 1.00 0.00 H new ATOM 0 HB2 PRO A 5 0.640 3.754 -2.115 1.00 0.00 H new ATOM 0 HB3 PRO A 5 1.347 4.886 -3.251 1.00 0.00 H new ATOM 0 HG2 PRO A 5 0.359 2.547 -4.089 1.00 0.00 H new ATOM 0 HG3 PRO A 5 1.784 3.237 -4.840 1.00 0.00 H new ATOM 0 HD2 PRO A 5 1.589 0.990 -2.867 1.00 0.00 H new ATOM 0 HD3 PRO A 5 2.682 1.179 -4.224 1.00 0.00 H new ATOM 101 N TRP A 6 1.569 3.330 -0.119 1.00 0.00 N ATOM 102 CA TRP A 6 1.232 3.347 1.313 1.00 0.00 C ATOM 103 C TRP A 6 -0.281 3.311 1.465 1.00 0.00 C ATOM 104 O TRP A 6 -0.827 2.687 2.376 1.00 0.00 O ATOM 105 CB TRP A 6 1.792 4.566 2.038 1.00 0.00 C ATOM 106 CG TRP A 6 1.133 5.835 1.643 1.00 0.00 C ATOM 107 CD1 TRP A 6 1.609 6.750 0.768 1.00 0.00 C ATOM 108 CD2 TRP A 6 -0.120 6.335 2.118 1.00 0.00 C ATOM 109 NE1 TRP A 6 0.726 7.782 0.649 1.00 0.00 N ATOM 110 CE2 TRP A 6 -0.344 7.559 1.474 1.00 0.00 C ATOM 111 CE3 TRP A 6 -1.074 5.858 3.021 1.00 0.00 C ATOM 112 CZ2 TRP A 6 -1.485 8.324 1.703 1.00 0.00 C ATOM 113 CZ3 TRP A 6 -2.207 6.616 3.250 1.00 0.00 C ATOM 114 CH2 TRP A 6 -2.404 7.838 2.594 1.00 0.00 C ATOM 0 H TRP A 6 0.864 2.864 -0.690 1.00 0.00 H new ATOM 0 HA TRP A 6 1.689 2.469 1.770 1.00 0.00 H new ATOM 0 HB2 TRP A 6 1.679 4.425 3.113 1.00 0.00 H new ATOM 0 HB3 TRP A 6 2.861 4.641 1.837 1.00 0.00 H new ATOM 0 HD1 TRP A 6 2.549 6.674 0.242 1.00 0.00 H new ATOM 0 HE1 TRP A 6 0.844 8.593 0.041 1.00 0.00 H new ATOM 0 HE3 TRP A 6 -0.929 4.916 3.530 1.00 0.00 H new ATOM 0 HZ2 TRP A 6 -1.639 9.265 1.197 1.00 0.00 H new ATOM 0 HZ3 TRP A 6 -2.952 6.260 3.946 1.00 0.00 H new ATOM 0 HH2 TRP A 6 -3.299 8.408 2.795 1.00 0.00 H new ATOM 125 N TRP A 7 -0.935 4.000 0.541 1.00 0.00 N ATOM 126 CA TRP A 7 -2.387 4.098 0.479 1.00 0.00 C ATOM 127 C TRP A 7 -2.935 2.934 -0.308 1.00 0.00 C ATOM 128 O TRP A 7 -4.142 2.706 -0.376 1.00 0.00 O ATOM 129 CB TRP A 7 -2.761 5.369 -0.270 1.00 0.00 C ATOM 130 CG TRP A 7 -2.073 5.396 -1.593 1.00 0.00 C ATOM 131 CD1 TRP A 7 -0.943 6.066 -1.884 1.00 0.00 C ATOM 132 CD2 TRP A 7 -2.420 4.666 -2.776 1.00 0.00 C ATOM 133 NE1 TRP A 7 -0.564 5.820 -3.170 1.00 0.00 N ATOM 134 CE2 TRP A 7 -1.454 4.964 -3.745 1.00 0.00 C ATOM 135 CE3 TRP A 7 -3.449 3.796 -3.110 1.00 0.00 C ATOM 136 CZ2 TRP A 7 -1.482 4.416 -5.025 1.00 0.00 C ATOM 137 CZ3 TRP A 7 -3.469 3.246 -4.368 1.00 0.00 C ATOM 138 CH2 TRP A 7 -2.498 3.551 -5.312 1.00 0.00 C ATOM 0 H TRP A 7 -0.463 4.517 -0.201 1.00 0.00 H new ATOM 0 HA TRP A 7 -2.791 4.102 1.491 1.00 0.00 H new ATOM 0 HB2 TRP A 7 -3.841 5.415 -0.410 1.00 0.00 H new ATOM 0 HB3 TRP A 7 -2.478 6.244 0.315 1.00 0.00 H new ATOM 0 HD1 TRP A 7 -0.412 6.707 -1.196 1.00 0.00 H new ATOM 0 HE1 TRP A 7 0.257 6.215 -3.629 1.00 0.00 H new ATOM 0 HE3 TRP A 7 -4.220 3.556 -2.393 1.00 0.00 H new ATOM 0 HZ2 TRP A 7 -0.731 4.665 -5.760 1.00 0.00 H new ATOM 0 HZ3 TRP A 7 -4.260 2.559 -4.630 1.00 0.00 H new ATOM 0 HH2 TRP A 7 -2.547 3.096 -6.290 1.00 0.00 H new ATOM 149 N TRP A 8 -2.026 2.267 -0.995 1.00 0.00 N ATOM 150 CA TRP A 8 -2.375 1.193 -1.881 1.00 0.00 C ATOM 151 C TRP A 8 -2.707 -0.147 -1.175 1.00 0.00 C ATOM 152 O TRP A 8 -3.526 -0.917 -1.667 1.00 0.00 O ATOM 153 CB TRP A 8 -1.261 1.038 -2.867 1.00 0.00 C ATOM 154 CG TRP A 8 -0.505 -0.138 -2.545 1.00 0.00 C ATOM 155 CD1 TRP A 8 0.450 -0.231 -1.642 1.00 0.00 C ATOM 156 CD2 TRP A 8 -0.730 -1.403 -3.063 1.00 0.00 C ATOM 157 NE1 TRP A 8 0.897 -1.516 -1.583 1.00 0.00 N ATOM 158 CE2 TRP A 8 0.167 -2.270 -2.470 1.00 0.00 C ATOM 159 CE3 TRP A 8 -1.612 -1.847 -3.994 1.00 0.00 C ATOM 160 CZ2 TRP A 8 0.197 -3.616 -2.793 1.00 0.00 C ATOM 161 CZ3 TRP A 8 -1.607 -3.178 -4.337 1.00 0.00 C ATOM 162 CH2 TRP A 8 -0.701 -4.057 -3.733 1.00 0.00 C ATOM 0 H TRP A 8 -1.026 2.462 -0.948 1.00 0.00 H new ATOM 0 HA TRP A 8 -3.308 1.458 -2.379 1.00 0.00 H new ATOM 0 HB2 TRP A 8 -1.662 0.961 -3.878 1.00 0.00 H new ATOM 0 HB3 TRP A 8 -0.616 1.916 -2.846 1.00 0.00 H new ATOM 0 HD1 TRP A 8 0.821 0.586 -1.041 1.00 0.00 H new ATOM 0 HE1 TRP A 8 1.646 -1.860 -0.983 1.00 0.00 H new ATOM 0 HE3 TRP A 8 -2.308 -1.164 -4.459 1.00 0.00 H new ATOM 0 HZ2 TRP A 8 0.898 -4.291 -2.325 1.00 0.00 H new ATOM 0 HZ3 TRP A 8 -2.304 -3.547 -5.075 1.00 0.00 H new ATOM 0 HH2 TRP A 8 -0.708 -5.101 -4.011 1.00 0.00 H new ATOM 173 N PRO A 9 -2.112 -0.438 -0.005 1.00 0.00 N ATOM 174 CA PRO A 9 -2.398 -1.648 0.744 1.00 0.00 C ATOM 175 C PRO A 9 -3.551 -1.333 1.649 1.00 0.00 C ATOM 176 O PRO A 9 -3.940 -2.089 2.539 1.00 0.00 O ATOM 177 CB PRO A 9 -1.116 -1.874 1.543 1.00 0.00 C ATOM 178 CG PRO A 9 -0.498 -0.515 1.699 1.00 0.00 C ATOM 179 CD PRO A 9 -1.180 0.416 0.721 1.00 0.00 C ATOM 0 HA PRO A 9 -2.659 -2.522 0.148 1.00 0.00 H new ATOM 0 HB2 PRO A 9 -1.332 -2.321 2.513 1.00 0.00 H new ATOM 0 HB3 PRO A 9 -0.443 -2.554 1.021 1.00 0.00 H new ATOM 0 HG2 PRO A 9 -0.621 -0.154 2.720 1.00 0.00 H new ATOM 0 HG3 PRO A 9 0.573 -0.557 1.503 1.00 0.00 H new ATOM 0 HD2 PRO A 9 -1.700 1.223 1.237 1.00 0.00 H new ATOM 0 HD3 PRO A 9 -0.460 0.881 0.047 1.00 0.00 H new ATOM 187 N PHE A 10 -4.039 -0.141 1.390 1.00 0.00 N ATOM 188 CA PHE A 10 -5.108 0.476 2.102 1.00 0.00 C ATOM 189 C PHE A 10 -6.406 0.408 1.295 1.00 0.00 C ATOM 190 O PHE A 10 -7.469 0.113 1.841 1.00 0.00 O ATOM 191 CB PHE A 10 -4.661 1.911 2.330 1.00 0.00 C ATOM 192 CG PHE A 10 -5.654 2.775 3.035 1.00 0.00 C ATOM 193 CD1 PHE A 10 -6.093 2.466 4.309 1.00 0.00 C ATOM 194 CD2 PHE A 10 -6.141 3.908 2.414 1.00 0.00 C ATOM 195 CE1 PHE A 10 -7.008 3.277 4.951 1.00 0.00 C ATOM 196 CE2 PHE A 10 -7.051 4.722 3.045 1.00 0.00 C ATOM 197 CZ PHE A 10 -7.489 4.409 4.319 1.00 0.00 C ATOM 0 H PHE A 10 -3.675 0.444 0.638 1.00 0.00 H new ATOM 0 HA PHE A 10 -5.319 -0.026 3.046 1.00 0.00 H new ATOM 0 HB2 PHE A 10 -3.736 1.901 2.907 1.00 0.00 H new ATOM 0 HB3 PHE A 10 -4.430 2.362 1.365 1.00 0.00 H new ATOM 0 HD1 PHE A 10 -5.718 1.584 4.806 1.00 0.00 H new ATOM 0 HD2 PHE A 10 -5.802 4.158 1.419 1.00 0.00 H new ATOM 0 HE1 PHE A 10 -7.347 3.027 5.945 1.00 0.00 H new ATOM 0 HE2 PHE A 10 -7.424 5.605 2.547 1.00 0.00 H new ATOM 0 HZ PHE A 10 -8.204 5.046 4.818 1.00 0.00 H new ATOM 207 N LEU A 11 -6.312 0.675 -0.012 1.00 0.00 N ATOM 208 CA LEU A 11 -7.491 0.629 -0.879 1.00 0.00 C ATOM 209 C LEU A 11 -7.825 -0.813 -1.257 1.00 0.00 C ATOM 210 O LEU A 11 -8.995 -1.186 -1.341 1.00 0.00 O ATOM 211 CB LEU A 11 -7.302 1.487 -2.145 1.00 0.00 C ATOM 212 CG LEU A 11 -6.609 0.818 -3.334 1.00 0.00 C ATOM 213 CD1 LEU A 11 -6.887 1.592 -4.612 1.00 0.00 C ATOM 214 CD2 LEU A 11 -5.126 0.755 -3.080 1.00 0.00 C ATOM 0 H LEU A 11 -5.444 0.922 -0.487 1.00 0.00 H new ATOM 0 HA LEU A 11 -8.326 1.048 -0.318 1.00 0.00 H new ATOM 0 HB2 LEU A 11 -8.283 1.830 -2.473 1.00 0.00 H new ATOM 0 HB3 LEU A 11 -6.729 2.373 -1.872 1.00 0.00 H new ATOM 0 HG LEU A 11 -6.999 -0.193 -3.451 1.00 0.00 H new ATOM 0 HD11 LEU A 11 -6.387 1.104 -5.449 1.00 0.00 H new ATOM 0 HD12 LEU A 11 -7.961 1.618 -4.795 1.00 0.00 H new ATOM 0 HD13 LEU A 11 -6.512 2.610 -4.509 1.00 0.00 H new ATOM 0 HD21 LEU A 11 -4.632 0.279 -3.927 1.00 0.00 H new ATOM 0 HD22 LEU A 11 -4.735 1.765 -2.953 1.00 0.00 H new ATOM 0 HD23 LEU A 11 -4.936 0.176 -2.176 1.00 0.00 H new ATOM 226 N ARG A 12 -6.789 -1.619 -1.483 1.00 0.00 N ATOM 227 CA ARG A 12 -6.974 -3.020 -1.850 1.00 0.00 C ATOM 228 C ARG A 12 -7.662 -3.795 -0.730 1.00 0.00 C ATOM 229 O ARG A 12 -8.542 -4.619 -0.983 1.00 0.00 O ATOM 230 CB ARG A 12 -5.629 -3.673 -2.181 1.00 0.00 C ATOM 231 CG ARG A 12 -4.622 -3.617 -1.042 1.00 0.00 C ATOM 232 CD ARG A 12 -3.404 -4.479 -1.332 1.00 0.00 C ATOM 233 NE ARG A 12 -3.748 -5.894 -1.432 1.00 0.00 N ATOM 234 CZ ARG A 12 -2.861 -6.856 -1.670 1.00 0.00 C ATOM 235 NH1 ARG A 12 -1.580 -6.556 -1.841 1.00 0.00 N ATOM 236 NH2 ARG A 12 -3.254 -8.121 -1.737 1.00 0.00 N ATOM 0 H ARG A 12 -5.814 -1.325 -1.418 1.00 0.00 H new ATOM 0 HA ARG A 12 -7.611 -3.049 -2.734 1.00 0.00 H new ATOM 0 HB2 ARG A 12 -5.799 -4.715 -2.453 1.00 0.00 H new ATOM 0 HB3 ARG A 12 -5.202 -3.181 -3.055 1.00 0.00 H new ATOM 0 HG2 ARG A 12 -4.309 -2.585 -0.882 1.00 0.00 H new ATOM 0 HG3 ARG A 12 -5.096 -3.953 -0.120 1.00 0.00 H new ATOM 0 HD2 ARG A 12 -2.941 -4.152 -2.263 1.00 0.00 H new ATOM 0 HD3 ARG A 12 -2.665 -4.340 -0.543 1.00 0.00 H new ATOM 0 HE ARG A 12 -4.725 -6.160 -1.312 1.00 0.00 H new ATOM 0 HH11 ARG A 12 -1.272 -5.585 -1.790 1.00 0.00 H new ATOM 0 HH12 ARG A 12 -0.903 -7.297 -2.023 1.00 0.00 H new ATOM 0 HH21 ARG A 12 -4.238 -8.357 -1.606 1.00 0.00 H new ATOM 0 HH22 ARG A 12 -2.573 -8.858 -1.920 1.00 0.00 H new ATOM 250 N ARG A 13 -7.250 -3.532 0.506 1.00 0.00 N ATOM 251 CA ARG A 13 -7.819 -4.210 1.667 1.00 0.00 C ATOM 252 C ARG A 13 -7.373 -3.541 2.963 1.00 0.00 C ATOM 253 O ARG A 13 -8.255 -3.113 3.736 1.00 0.00 O ATOM 254 CB ARG A 13 -7.402 -5.682 1.675 1.00 0.00 C ATOM 255 CG ARG A 13 -5.897 -5.886 1.599 1.00 0.00 C ATOM 256 CD ARG A 13 -5.526 -7.358 1.695 1.00 0.00 C ATOM 257 NE ARG A 13 -5.881 -7.931 2.992 1.00 0.00 N ATOM 258 CZ ARG A 13 -5.350 -7.536 4.147 1.00 0.00 C ATOM 259 NH1 ARG A 13 -4.429 -6.581 4.168 1.00 0.00 N ATOM 260 NH2 ARG A 13 -5.737 -8.100 5.283 1.00 0.00 N ATOM 0 H ARG A 13 -6.523 -2.853 0.730 1.00 0.00 H new ATOM 0 HA ARG A 13 -8.905 -4.143 1.599 1.00 0.00 H new ATOM 0 HB2 ARG A 13 -7.779 -6.153 2.582 1.00 0.00 H new ATOM 0 HB3 ARG A 13 -7.873 -6.189 0.833 1.00 0.00 H new ATOM 0 HG2 ARG A 13 -5.520 -5.476 0.662 1.00 0.00 H new ATOM 0 HG3 ARG A 13 -5.413 -5.335 2.406 1.00 0.00 H new ATOM 0 HD2 ARG A 13 -6.032 -7.911 0.904 1.00 0.00 H new ATOM 0 HD3 ARG A 13 -4.455 -7.473 1.529 1.00 0.00 H new ATOM 0 HE ARG A 13 -6.576 -8.677 3.013 1.00 0.00 H new ATOM 0 HH11 ARG A 13 -4.125 -6.146 3.297 1.00 0.00 H new ATOM 0 HH12 ARG A 13 -4.025 -6.282 5.055 1.00 0.00 H new ATOM 0 HH21 ARG A 13 -6.442 -8.837 5.272 1.00 0.00 H new ATOM 0 HH22 ARG A 13 -5.330 -7.797 6.168 1.00 0.00 H new HETATM 274 N NH2 A 14 -6.893 -2.304 2.923 1.00 0.00 N TER 277 NH2 A 14