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+ 170:sc= -0.0301 (180deg=-0.166) USER MOD ----------------------------------------------------------------- ATOM 1 N VAL A 1 6.683 -5.310 0.490 1.00 0.00 N ATOM 2 CA VAL A 1 5.639 -4.259 0.584 1.00 0.00 C ATOM 3 C VAL A 1 6.089 -3.127 1.511 1.00 0.00 C ATOM 4 O VAL A 1 5.342 -2.676 2.380 1.00 0.00 O ATOM 5 CB VAL A 1 4.300 -4.852 1.082 1.00 0.00 C ATOM 6 CG1 VAL A 1 4.446 -5.430 2.482 1.00 0.00 C ATOM 7 CG2 VAL A 1 3.189 -3.809 1.035 1.00 0.00 C ATOM 0 H1 VAL A 1 6.296 -6.141 -0.002 1.00 0.00 H new ATOM 0 H2 VAL A 1 7.499 -4.943 -0.040 1.00 0.00 H new ATOM 0 H3 VAL A 1 6.987 -5.584 1.446 1.00 0.00 H new ATOM 0 HA VAL A 1 5.487 -3.852 -0.416 1.00 0.00 H new ATOM 0 HB VAL A 1 4.024 -5.666 0.411 1.00 0.00 H new ATOM 0 HG11 VAL A 1 3.490 -5.840 2.808 1.00 0.00 H new ATOM 0 HG12 VAL A 1 5.196 -6.221 2.473 1.00 0.00 H new ATOM 0 HG13 VAL A 1 4.757 -4.644 3.170 1.00 0.00 H new ATOM 0 HG21 VAL A 1 2.259 -4.252 1.390 1.00 0.00 H new ATOM 0 HG22 VAL A 1 3.455 -2.965 1.671 1.00 0.00 H new ATOM 0 HG23 VAL A 1 3.058 -3.463 0.010 1.00 0.00 H new ATOM 19 N ARG A 2 7.321 -2.667 1.320 1.00 0.00 N ATOM 20 CA ARG A 2 7.860 -1.589 2.138 1.00 0.00 C ATOM 21 C ARG A 2 7.051 -0.312 1.932 1.00 0.00 C ATOM 22 O ARG A 2 6.574 0.294 2.891 1.00 0.00 O ATOM 23 CB ARG A 2 9.332 -1.342 1.801 1.00 0.00 C ATOM 24 CG ARG A 2 10.011 -0.347 2.729 1.00 0.00 C ATOM 25 CD ARG A 2 11.475 -0.152 2.367 1.00 0.00 C ATOM 26 NE ARG A 2 12.224 -1.405 2.418 1.00 0.00 N ATOM 27 CZ ARG A 2 13.522 -1.501 2.141 1.00 0.00 C ATOM 28 NH1 ARG A 2 14.213 -0.421 1.800 1.00 0.00 N ATOM 29 NH2 ARG A 2 14.131 -2.677 2.205 1.00 0.00 N ATOM 0 H ARG A 2 7.961 -3.022 0.610 1.00 0.00 H new ATOM 0 HA ARG A 2 7.790 -1.884 3.185 1.00 0.00 H new ATOM 0 HB2 ARG A 2 9.869 -2.289 1.842 1.00 0.00 H new ATOM 0 HB3 ARG A 2 9.405 -0.978 0.776 1.00 0.00 H new ATOM 0 HG2 ARG A 2 9.493 0.611 2.679 1.00 0.00 H new ATOM 0 HG3 ARG A 2 9.934 -0.697 3.758 1.00 0.00 H new ATOM 0 HD2 ARG A 2 11.547 0.273 1.366 1.00 0.00 H new ATOM 0 HD3 ARG A 2 11.925 0.567 3.052 1.00 0.00 H new ATOM 0 HE ARG A 2 11.724 -2.254 2.681 1.00 0.00 H new ATOM 0 HH11 ARG A 2 13.749 0.486 1.750 1.00 0.00 H new ATOM 0 HH12 ARG A 2 15.208 -0.498 1.588 1.00 0.00 H new ATOM 0 HH21 ARG A 2 13.604 -3.510 2.467 1.00 0.00 H new ATOM 0 HH22 ARG A 2 15.126 -2.748 1.992 1.00 0.00 H new ATOM 43 N ARG A 3 6.887 0.082 0.671 1.00 0.00 N ATOM 44 CA ARG A 3 6.120 1.278 0.338 1.00 0.00 C ATOM 45 C ARG A 3 4.642 0.942 0.161 1.00 0.00 C ATOM 46 O ARG A 3 3.772 1.632 0.679 1.00 0.00 O ATOM 47 CB ARG A 3 6.652 1.938 -0.938 1.00 0.00 C ATOM 48 CG ARG A 3 8.016 2.593 -0.780 1.00 0.00 C ATOM 49 CD ARG A 3 9.133 1.566 -0.684 1.00 0.00 C ATOM 50 NE ARG A 3 10.444 2.198 -0.565 1.00 0.00 N ATOM 51 CZ ARG A 3 11.593 1.528 -0.582 1.00 0.00 C ATOM 52 NH1 ARG A 3 11.595 0.210 -0.740 1.00 0.00 N ATOM 53 NH2 ARG A 3 12.742 2.176 -0.448 1.00 0.00 N ATOM 0 H ARG A 3 7.274 -0.409 -0.135 1.00 0.00 H new ATOM 0 HA ARG A 3 6.230 1.978 1.166 1.00 0.00 H new ATOM 0 HB2 ARG A 3 6.712 1.186 -1.725 1.00 0.00 H new ATOM 0 HB3 ARG A 3 5.936 2.690 -1.270 1.00 0.00 H new ATOM 0 HG2 ARG A 3 8.202 3.253 -1.628 1.00 0.00 H new ATOM 0 HG3 ARG A 3 8.018 3.215 0.115 1.00 0.00 H new ATOM 0 HD2 ARG A 3 8.961 0.922 0.178 1.00 0.00 H new ATOM 0 HD3 ARG A 3 9.116 0.928 -1.567 1.00 0.00 H new ATOM 0 HE ARG A 3 10.481 3.212 -0.463 1.00 0.00 H new ATOM 0 HH11 ARG A 3 10.714 -0.292 -0.849 1.00 0.00 H new ATOM 0 HH12 ARG A 3 12.478 -0.301 -0.753 1.00 0.00 H new ATOM 0 HH21 ARG A 3 12.745 3.189 -0.332 1.00 0.00 H new ATOM 0 HH22 ARG A 3 13.622 1.661 -0.461 1.00 0.00 H new ATOM 67 N PHE A 4 4.369 -0.123 -0.578 1.00 0.00 N ATOM 68 CA PHE A 4 2.997 -0.553 -0.834 1.00 0.00 C ATOM 69 C PHE A 4 2.185 -0.607 0.444 1.00 0.00 C ATOM 70 O PHE A 4 0.965 -0.485 0.430 1.00 0.00 O ATOM 71 CB PHE A 4 3.001 -1.916 -1.517 1.00 0.00 C ATOM 72 CG PHE A 4 3.625 -1.885 -2.880 1.00 0.00 C ATOM 73 CD1 PHE A 4 3.992 -0.681 -3.455 1.00 0.00 C ATOM 74 CD2 PHE A 4 3.868 -3.056 -3.572 1.00 0.00 C ATOM 75 CE1 PHE A 4 4.586 -0.640 -4.694 1.00 0.00 C ATOM 76 CE2 PHE A 4 4.460 -3.025 -4.818 1.00 0.00 C ATOM 77 CZ PHE A 4 4.821 -1.815 -5.382 1.00 0.00 C ATOM 0 H PHE A 4 5.081 -0.709 -1.014 1.00 0.00 H new ATOM 0 HA PHE A 4 2.529 0.179 -1.492 1.00 0.00 H new ATOM 0 HB2 PHE A 4 3.540 -2.628 -0.892 1.00 0.00 H new ATOM 0 HB3 PHE A 4 1.976 -2.278 -1.600 1.00 0.00 H new ATOM 0 HD1 PHE A 4 3.809 0.240 -2.922 1.00 0.00 H new ATOM 0 HD2 PHE A 4 3.592 -4.004 -3.134 1.00 0.00 H new ATOM 0 HE1 PHE A 4 4.868 0.308 -5.128 1.00 0.00 H new ATOM 0 HE2 PHE A 4 4.641 -3.946 -5.353 1.00 0.00 H new ATOM 0 HZ PHE A 4 5.285 -1.789 -6.357 1.00 0.00 H new ATOM 87 N ALA A 5 2.869 -0.798 1.546 1.00 0.00 N ATOM 88 CA ALA A 5 2.215 -0.881 2.830 1.00 0.00 C ATOM 89 C ALA A 5 1.364 0.355 3.129 1.00 0.00 C ATOM 90 O ALA A 5 0.252 0.234 3.644 1.00 0.00 O ATOM 91 CB ALA A 5 3.259 -1.092 3.905 1.00 0.00 C ATOM 0 H ALA A 5 3.883 -0.899 1.579 1.00 0.00 H new ATOM 0 HA ALA A 5 1.530 -1.729 2.811 1.00 0.00 H new ATOM 0 HB1 ALA A 5 2.772 -1.156 4.878 1.00 0.00 H new ATOM 0 HB2 ALA A 5 3.801 -2.017 3.709 1.00 0.00 H new ATOM 0 HB3 ALA A 5 3.957 -0.255 3.903 1.00 0.00 H new ATOM 97 N TRP A 6 1.888 1.543 2.825 1.00 0.00 N ATOM 98 CA TRP A 6 1.153 2.778 3.092 1.00 0.00 C ATOM 99 C TRP A 6 0.169 3.140 1.979 1.00 0.00 C ATOM 100 O TRP A 6 -0.325 4.267 1.947 1.00 0.00 O ATOM 101 CB TRP A 6 2.115 3.950 3.332 1.00 0.00 C ATOM 102 CG TRP A 6 3.133 4.101 2.256 1.00 0.00 C ATOM 103 CD1 TRP A 6 4.440 3.756 2.340 1.00 0.00 C ATOM 104 CD2 TRP A 6 2.932 4.613 0.932 1.00 0.00 C ATOM 105 NE1 TRP A 6 5.069 4.012 1.153 1.00 0.00 N ATOM 106 CE2 TRP A 6 4.163 4.538 0.265 1.00 0.00 C ATOM 107 CE3 TRP A 6 1.831 5.119 0.246 1.00 0.00 C ATOM 108 CZ2 TRP A 6 4.319 4.947 -1.064 1.00 0.00 C ATOM 109 CZ3 TRP A 6 1.978 5.509 -1.074 1.00 0.00 C ATOM 110 CH2 TRP A 6 3.205 5.418 -1.715 1.00 0.00 C ATOM 0 H TRP A 6 2.806 1.675 2.400 1.00 0.00 H new ATOM 0 HA TRP A 6 0.571 2.592 3.995 1.00 0.00 H new ATOM 0 HB2 TRP A 6 1.541 4.873 3.412 1.00 0.00 H new ATOM 0 HB3 TRP A 6 2.622 3.806 4.286 1.00 0.00 H new ATOM 0 HD1 TRP A 6 4.916 3.340 3.216 1.00 0.00 H new ATOM 0 HE1 TRP A 6 6.055 3.840 0.958 1.00 0.00 H new ATOM 0 HE3 TRP A 6 0.874 5.206 0.738 1.00 0.00 H new ATOM 0 HZ2 TRP A 6 5.278 4.894 -1.559 1.00 0.00 H new ATOM 0 HZ3 TRP A 6 1.124 5.890 -1.614 1.00 0.00 H new ATOM 0 HH2 TRP A 6 3.286 5.724 -2.748 1.00 0.00 H new ATOM 121 N TRP A 7 -0.127 2.211 1.060 1.00 0.00 N ATOM 122 CA TRP A 7 -1.055 2.540 -0.025 1.00 0.00 C ATOM 123 C TRP A 7 -1.600 1.348 -0.781 1.00 0.00 C ATOM 124 O TRP A 7 -2.794 1.291 -1.056 1.00 0.00 O ATOM 125 CB TRP A 7 -0.394 3.468 -0.990 1.00 0.00 C ATOM 126 CG TRP A 7 0.647 2.799 -1.785 1.00 0.00 C ATOM 127 CD1 TRP A 7 1.912 2.462 -1.421 1.00 0.00 C ATOM 128 CD2 TRP A 7 0.477 2.377 -3.095 1.00 0.00 C ATOM 129 NE1 TRP A 7 2.554 1.884 -2.477 1.00 0.00 N ATOM 130 CE2 TRP A 7 1.676 1.810 -3.516 1.00 0.00 C ATOM 131 CE3 TRP A 7 -0.592 2.439 -3.951 1.00 0.00 C ATOM 132 CZ2 TRP A 7 1.833 1.303 -4.776 1.00 0.00 C ATOM 133 CZ3 TRP A 7 -0.449 1.936 -5.196 1.00 0.00 C ATOM 134 CH2 TRP A 7 0.758 1.367 -5.615 1.00 0.00 C ATOM 0 H TRP A 7 0.247 1.262 1.044 1.00 0.00 H new ATOM 0 HA TRP A 7 -1.912 3.008 0.460 1.00 0.00 H new ATOM 0 HB2 TRP A 7 -1.145 3.888 -1.659 1.00 0.00 H new ATOM 0 HB3 TRP A 7 0.048 4.301 -0.444 1.00 0.00 H new ATOM 0 HD1 TRP A 7 2.343 2.627 -0.445 1.00 0.00 H new ATOM 0 HE1 TRP A 7 3.522 1.563 -2.487 1.00 0.00 H new ATOM 0 HE3 TRP A 7 -1.527 2.880 -3.637 1.00 0.00 H new ATOM 0 HZ2 TRP A 7 2.769 0.869 -5.095 1.00 0.00 H new ATOM 0 HZ3 TRP A 7 -1.283 1.974 -5.881 1.00 0.00 H new ATOM 0 HH2 TRP A 7 0.841 0.972 -6.617 1.00 0.00 H new ATOM 145 N TRP A 8 -0.759 0.407 -1.141 1.00 0.00 N ATOM 146 CA TRP A 8 -1.248 -0.746 -1.855 1.00 0.00 C ATOM 147 C TRP A 8 -2.430 -1.281 -1.069 1.00 0.00 C ATOM 148 O TRP A 8 -3.422 -1.753 -1.626 1.00 0.00 O ATOM 149 CB TRP A 8 -0.152 -1.784 -1.981 1.00 0.00 C ATOM 150 CG TRP A 8 -0.378 -2.992 -1.144 1.00 0.00 C ATOM 151 CD1 TRP A 8 0.104 -3.232 0.103 1.00 0.00 C ATOM 152 CD2 TRP A 8 -1.150 -4.123 -1.509 1.00 0.00 C ATOM 153 NE1 TRP A 8 -0.308 -4.471 0.533 1.00 0.00 N ATOM 154 CE2 TRP A 8 -1.084 -5.038 -0.445 1.00 0.00 C ATOM 155 CE3 TRP A 8 -1.887 -4.444 -2.644 1.00 0.00 C ATOM 156 CZ2 TRP A 8 -1.731 -6.266 -0.486 1.00 0.00 C ATOM 157 CZ3 TRP A 8 -2.534 -5.665 -2.687 1.00 0.00 C ATOM 158 CH2 TRP A 8 -2.448 -6.563 -1.612 1.00 0.00 C ATOM 0 H TRP A 8 0.244 0.415 -0.956 1.00 0.00 H new ATOM 0 HA TRP A 8 -1.557 -0.487 -2.868 1.00 0.00 H new ATOM 0 HB2 TRP A 8 -0.067 -2.086 -3.025 1.00 0.00 H new ATOM 0 HB3 TRP A 8 0.800 -1.331 -1.702 1.00 0.00 H new ATOM 0 HD1 TRP A 8 0.719 -2.551 0.672 1.00 0.00 H new ATOM 0 HE1 TRP A 8 -0.075 -4.897 1.430 1.00 0.00 H new ATOM 0 HE3 TRP A 8 -1.952 -3.755 -3.473 1.00 0.00 H new ATOM 0 HZ2 TRP A 8 -1.670 -6.960 0.339 1.00 0.00 H new ATOM 0 HZ3 TRP A 8 -3.113 -5.931 -3.559 1.00 0.00 H new ATOM 0 HH2 TRP A 8 -2.960 -7.512 -1.675 1.00 0.00 H new ATOM 169 N ALA A 9 -2.311 -1.139 0.248 1.00 0.00 N ATOM 170 CA ALA A 9 -3.354 -1.534 1.164 1.00 0.00 C ATOM 171 C ALA A 9 -4.468 -0.489 1.104 1.00 0.00 C ATOM 172 O ALA A 9 -5.655 -0.808 1.119 1.00 0.00 O ATOM 173 CB ALA A 9 -2.794 -1.662 2.570 1.00 0.00 C ATOM 0 H ALA A 9 -1.486 -0.746 0.701 1.00 0.00 H new ATOM 0 HA ALA A 9 -3.758 -2.507 0.883 1.00 0.00 H new ATOM 0 HB1 ALA A 9 -3.590 -1.960 3.253 1.00 0.00 H new ATOM 0 HB2 ALA A 9 -2.006 -2.415 2.580 1.00 0.00 H new ATOM 0 HB3 ALA A 9 -2.384 -0.703 2.887 1.00 0.00 H new ATOM 179 N PHE A 10 -4.038 0.769 0.986 1.00 0.00 N ATOM 180 CA PHE A 10 -4.930 1.922 0.857 1.00 0.00 C ATOM 181 C PHE A 10 -5.934 1.662 -0.267 1.00 0.00 C ATOM 182 O PHE A 10 -7.083 2.103 -0.211 1.00 0.00 O ATOM 183 CB PHE A 10 -4.049 3.168 0.573 1.00 0.00 C ATOM 184 CG PHE A 10 -4.661 4.298 -0.211 1.00 0.00 C ATOM 185 CD1 PHE A 10 -5.960 4.725 0.017 1.00 0.00 C ATOM 186 CD2 PHE A 10 -3.902 4.951 -1.186 1.00 0.00 C ATOM 187 CE1 PHE A 10 -6.498 5.771 -0.710 1.00 0.00 C ATOM 188 CE2 PHE A 10 -4.440 5.995 -1.913 1.00 0.00 C ATOM 189 CZ PHE A 10 -5.738 6.404 -1.676 1.00 0.00 C ATOM 0 H PHE A 10 -3.049 1.018 0.977 1.00 0.00 H new ATOM 0 HA PHE A 10 -5.502 2.092 1.769 1.00 0.00 H new ATOM 0 HB2 PHE A 10 -3.715 3.567 1.531 1.00 0.00 H new ATOM 0 HB3 PHE A 10 -3.159 2.834 0.040 1.00 0.00 H new ATOM 0 HD1 PHE A 10 -6.559 4.235 0.771 1.00 0.00 H new ATOM 0 HD2 PHE A 10 -2.886 4.637 -1.373 1.00 0.00 H new ATOM 0 HE1 PHE A 10 -7.512 6.093 -0.523 1.00 0.00 H new ATOM 0 HE2 PHE A 10 -3.846 6.491 -2.666 1.00 0.00 H new ATOM 0 HZ PHE A 10 -6.159 7.219 -2.246 1.00 0.00 H new ATOM 199 N LEU A 11 -5.484 0.930 -1.283 1.00 0.00 N ATOM 200 CA LEU A 11 -6.321 0.592 -2.428 1.00 0.00 C ATOM 201 C LEU A 11 -7.259 -0.571 -2.118 1.00 0.00 C ATOM 202 O LEU A 11 -8.478 -0.440 -2.233 1.00 0.00 O ATOM 203 CB LEU A 11 -5.441 0.220 -3.618 1.00 0.00 C ATOM 204 CG LEU A 11 -4.342 1.225 -3.949 1.00 0.00 C ATOM 205 CD1 LEU A 11 -3.376 0.631 -4.956 1.00 0.00 C ATOM 206 CD2 LEU A 11 -4.941 2.518 -4.479 1.00 0.00 C ATOM 0 H LEU A 11 -4.536 0.557 -1.335 1.00 0.00 H new ATOM 0 HA LEU A 11 -6.927 1.467 -2.664 1.00 0.00 H new ATOM 0 HB2 LEU A 11 -4.980 -0.748 -3.421 1.00 0.00 H new ATOM 0 HB3 LEU A 11 -6.076 0.097 -4.495 1.00 0.00 H new ATOM 0 HG LEU A 11 -3.794 1.455 -3.035 1.00 0.00 H new ATOM 0 HD11 LEU A 11 -2.596 1.357 -5.184 1.00 0.00 H new ATOM 0 HD12 LEU A 11 -2.923 -0.268 -4.539 1.00 0.00 H new ATOM 0 HD13 LEU A 11 -3.914 0.376 -5.869 1.00 0.00 H new ATOM 0 HD21 LEU A 11 -4.141 3.222 -4.709 1.00 0.00 H new ATOM 0 HD22 LEU A 11 -5.513 2.310 -5.383 1.00 0.00 H new ATOM 0 HD23 LEU A 11 -5.599 2.950 -3.725 1.00 0.00 H new ATOM 218 N ARG A 12 -6.682 -1.713 -1.737 1.00 0.00 N ATOM 219 CA ARG A 12 -7.474 -2.900 -1.424 1.00 0.00 C ATOM 220 C ARG A 12 -8.575 -2.554 -0.427 1.00 0.00 C ATOM 221 O ARG A 12 -9.659 -3.136 -0.447 1.00 0.00 O ATOM 222 CB ARG A 12 -6.591 -4.019 -0.862 1.00 0.00 C ATOM 223 CG ARG A 12 -5.912 -3.667 0.449 1.00 0.00 C ATOM 224 CD ARG A 12 -5.178 -4.862 1.034 1.00 0.00 C ATOM 225 NE ARG A 12 -6.088 -5.964 1.339 1.00 0.00 N ATOM 226 CZ ARG A 12 -5.698 -7.126 1.854 1.00 0.00 C ATOM 227 NH1 ARG A 12 -4.416 -7.344 2.116 1.00 0.00 N ATOM 228 NH2 ARG A 12 -6.591 -8.072 2.108 1.00 0.00 N ATOM 0 H ARG A 12 -5.675 -1.839 -1.639 1.00 0.00 H new ATOM 0 HA ARG A 12 -7.929 -3.255 -2.349 1.00 0.00 H new ATOM 0 HB2 ARG A 12 -7.201 -4.911 -0.716 1.00 0.00 H new ATOM 0 HB3 ARG A 12 -5.828 -4.271 -1.599 1.00 0.00 H new ATOM 0 HG2 ARG A 12 -5.209 -2.850 0.288 1.00 0.00 H new ATOM 0 HG3 ARG A 12 -6.656 -3.311 1.161 1.00 0.00 H new ATOM 0 HD2 ARG A 12 -4.419 -5.202 0.330 1.00 0.00 H new ATOM 0 HD3 ARG A 12 -4.657 -4.559 1.942 1.00 0.00 H new ATOM 0 HE ARG A 12 -7.081 -5.834 1.145 1.00 0.00 H new ATOM 0 HH11 ARG A 12 -3.725 -6.619 1.922 1.00 0.00 H new ATOM 0 HH12 ARG A 12 -4.121 -8.237 2.511 1.00 0.00 H new ATOM 0 HH21 ARG A 12 -7.578 -7.909 1.908 1.00 0.00 H new ATOM 0 HH22 ARG A 12 -6.291 -8.963 2.503 1.00 0.00 H new ATOM 242 N ARG A 13 -8.276 -1.591 0.436 1.00 0.00 N ATOM 243 CA ARG A 13 -9.215 -1.128 1.449 1.00 0.00 C ATOM 244 C ARG A 13 -10.538 -0.706 0.818 1.00 0.00 C ATOM 245 O ARG A 13 -11.594 -0.974 1.430 1.00 0.00 O ATOM 246 CB ARG A 13 -8.597 0.045 2.210 1.00 0.00 C ATOM 247 CG ARG A 13 -9.534 0.713 3.198 1.00 0.00 C ATOM 248 CD ARG A 13 -8.883 1.938 3.815 1.00 0.00 C ATOM 249 NE ARG A 13 -9.788 2.653 4.710 1.00 0.00 N ATOM 250 CZ ARG A 13 -9.455 3.763 5.362 1.00 0.00 C ATOM 251 NH1 ARG A 13 -8.242 4.281 5.218 1.00 0.00 N ATOM 252 NH2 ARG A 13 -10.334 4.356 6.157 1.00 0.00 N ATOM 0 H ARG A 13 -7.377 -1.110 0.453 1.00 0.00 H new ATOM 0 HA ARG A 13 -9.420 -1.947 2.138 1.00 0.00 H new ATOM 0 HB2 ARG A 13 -7.716 -0.309 2.745 1.00 0.00 H new ATOM 0 HB3 ARG A 13 -8.256 0.790 1.491 1.00 0.00 H new ATOM 0 HG2 ARG A 13 -10.456 1.001 2.694 1.00 0.00 H new ATOM 0 HG3 ARG A 13 -9.807 0.007 3.982 1.00 0.00 H new ATOM 0 HD2 ARG A 13 -7.993 1.635 4.367 1.00 0.00 H new ATOM 0 HD3 ARG A 13 -8.553 2.610 3.023 1.00 0.00 H new ATOM 0 HE ARG A 13 -10.728 2.280 4.843 1.00 0.00 H new ATOM 0 HH11 ARG A 13 -7.563 3.828 4.606 1.00 0.00 H new ATOM 0 HH12 ARG A 13 -7.988 5.133 5.719 1.00 0.00 H new ATOM 0 HH21 ARG A 13 -11.268 3.961 6.270 1.00 0.00 H new ATOM 0 HH22 ARG A 13 -10.077 5.207 6.656 1.00 0.00 H new HETATM 266 N NH2 A 14 -10.534 0.202 -0.152 1.00 0.00 N TER 269 NH2 A 14