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+ 143:sc= -0.0501 (180deg=-0.287) USER MOD ----------------------------------------------------------------- ATOM 1 N VAL A 1 7.687 -6.006 -0.648 1.00 0.00 N ATOM 2 CA VAL A 1 6.983 -4.746 -0.297 1.00 0.00 C ATOM 3 C VAL A 1 7.703 -4.006 0.826 1.00 0.00 C ATOM 4 O VAL A 1 8.150 -4.614 1.799 1.00 0.00 O ATOM 5 CB VAL A 1 5.525 -5.017 0.134 1.00 0.00 C ATOM 6 CG1 VAL A 1 5.483 -5.947 1.337 1.00 0.00 C ATOM 7 CG2 VAL A 1 4.802 -3.710 0.437 1.00 0.00 C ATOM 0 H1 VAL A 1 6.989 -6.742 -0.878 1.00 0.00 H new ATOM 0 H2 VAL A 1 8.301 -5.843 -1.471 1.00 0.00 H new ATOM 0 H3 VAL A 1 8.265 -6.317 0.159 1.00 0.00 H new ATOM 0 HA VAL A 1 6.981 -4.126 -1.194 1.00 0.00 H new ATOM 0 HB VAL A 1 5.011 -5.507 -0.693 1.00 0.00 H new ATOM 0 HG11 VAL A 1 4.446 -6.124 1.624 1.00 0.00 H new ATOM 0 HG12 VAL A 1 5.956 -6.895 1.081 1.00 0.00 H new ATOM 0 HG13 VAL A 1 6.016 -5.489 2.170 1.00 0.00 H new ATOM 0 HG21 VAL A 1 3.776 -3.923 0.739 1.00 0.00 H new ATOM 0 HG22 VAL A 1 5.317 -3.188 1.244 1.00 0.00 H new ATOM 0 HG23 VAL A 1 4.795 -3.083 -0.455 1.00 0.00 H new ATOM 19 N ARG A 2 7.803 -2.689 0.686 1.00 0.00 N ATOM 20 CA ARG A 2 8.458 -1.860 1.691 1.00 0.00 C ATOM 21 C ARG A 2 7.611 -0.626 1.984 1.00 0.00 C ATOM 22 O ARG A 2 7.397 -0.269 3.143 1.00 0.00 O ATOM 23 CB ARG A 2 9.865 -1.445 1.235 1.00 0.00 C ATOM 24 CG ARG A 2 9.891 -0.515 0.028 1.00 0.00 C ATOM 25 CD ARG A 2 9.427 -1.214 -1.242 1.00 0.00 C ATOM 26 NE ARG A 2 10.296 -2.333 -1.602 1.00 0.00 N ATOM 27 CZ ARG A 2 11.580 -2.201 -1.926 1.00 0.00 C ATOM 28 NH1 ARG A 2 12.144 -1.000 -1.951 1.00 0.00 N ATOM 29 NH2 ARG A 2 12.302 -3.272 -2.230 1.00 0.00 N ATOM 0 H ARG A 2 7.439 -2.172 -0.114 1.00 0.00 H new ATOM 0 HA ARG A 2 8.560 -2.447 2.604 1.00 0.00 H new ATOM 0 HB2 ARG A 2 10.372 -0.955 2.066 1.00 0.00 H new ATOM 0 HB3 ARG A 2 10.436 -2.343 0.998 1.00 0.00 H new ATOM 0 HG2 ARG A 2 9.252 0.347 0.221 1.00 0.00 H new ATOM 0 HG3 ARG A 2 10.903 -0.136 -0.116 1.00 0.00 H new ATOM 0 HD2 ARG A 2 8.408 -1.576 -1.104 1.00 0.00 H new ATOM 0 HD3 ARG A 2 9.402 -0.496 -2.062 1.00 0.00 H new ATOM 0 HE ARG A 2 9.894 -3.271 -1.605 1.00 0.00 H new ATOM 0 HH11 ARG A 2 11.593 -0.173 -1.721 1.00 0.00 H new ATOM 0 HH12 ARG A 2 13.128 -0.904 -2.200 1.00 0.00 H new ATOM 0 HH21 ARG A 2 11.873 -4.197 -2.215 1.00 0.00 H new ATOM 0 HH22 ARG A 2 13.286 -3.170 -2.478 1.00 0.00 H new ATOM 43 N ARG A 3 7.117 0.009 0.926 1.00 0.00 N ATOM 44 CA ARG A 3 6.276 1.190 1.067 1.00 0.00 C ATOM 45 C ARG A 3 4.815 0.833 0.844 1.00 0.00 C ATOM 46 O ARG A 3 3.933 1.351 1.512 1.00 0.00 O ATOM 47 CB ARG A 3 6.697 2.283 0.085 1.00 0.00 C ATOM 48 CG ARG A 3 6.596 1.869 -1.374 1.00 0.00 C ATOM 49 CD ARG A 3 7.157 2.939 -2.297 1.00 0.00 C ATOM 50 NE ARG A 3 6.468 4.217 -2.139 1.00 0.00 N ATOM 51 CZ ARG A 3 6.775 5.312 -2.828 1.00 0.00 C ATOM 52 NH1 ARG A 3 7.751 5.284 -3.726 1.00 0.00 N ATOM 53 NH2 ARG A 3 6.104 6.437 -2.620 1.00 0.00 N ATOM 0 H ARG A 3 7.285 -0.276 -0.039 1.00 0.00 H new ATOM 0 HA ARG A 3 6.400 1.568 2.082 1.00 0.00 H new ATOM 0 HB2 ARG A 3 6.075 3.163 0.247 1.00 0.00 H new ATOM 0 HB3 ARG A 3 7.725 2.575 0.300 1.00 0.00 H new ATOM 0 HG2 ARG A 3 7.137 0.935 -1.527 1.00 0.00 H new ATOM 0 HG3 ARG A 3 5.553 1.678 -1.628 1.00 0.00 H new ATOM 0 HD2 ARG A 3 8.219 3.073 -2.093 1.00 0.00 H new ATOM 0 HD3 ARG A 3 7.071 2.606 -3.331 1.00 0.00 H new ATOM 0 HE ARG A 3 5.708 4.273 -1.461 1.00 0.00 H new ATOM 0 HH11 ARG A 3 8.269 4.421 -3.890 1.00 0.00 H new ATOM 0 HH12 ARG A 3 7.984 6.126 -4.253 1.00 0.00 H new ATOM 0 HH21 ARG A 3 5.352 6.462 -1.931 1.00 0.00 H new ATOM 0 HH22 ARG A 3 6.340 7.277 -3.149 1.00 0.00 H new ATOM 67 N PHE A 4 4.559 -0.057 -0.100 1.00 0.00 N ATOM 68 CA PHE A 4 3.194 -0.463 -0.389 1.00 0.00 C ATOM 69 C PHE A 4 2.505 -0.876 0.876 1.00 0.00 C ATOM 70 O PHE A 4 1.331 -0.627 1.068 1.00 0.00 O ATOM 71 CB PHE A 4 3.185 -1.565 -1.432 1.00 0.00 C ATOM 72 CG PHE A 4 4.048 -1.179 -2.578 1.00 0.00 C ATOM 73 CD1 PHE A 4 3.939 0.089 -3.115 1.00 0.00 C ATOM 74 CD2 PHE A 4 5.002 -2.041 -3.071 1.00 0.00 C ATOM 75 CE1 PHE A 4 4.759 0.494 -4.136 1.00 0.00 C ATOM 76 CE2 PHE A 4 5.835 -1.647 -4.091 1.00 0.00 C ATOM 77 CZ PHE A 4 5.718 -0.375 -4.631 1.00 0.00 C ATOM 0 H PHE A 4 5.271 -0.509 -0.674 1.00 0.00 H new ATOM 0 HA PHE A 4 2.641 0.380 -0.804 1.00 0.00 H new ATOM 0 HB2 PHE A 4 3.542 -2.497 -0.993 1.00 0.00 H new ATOM 0 HB3 PHE A 4 2.166 -1.745 -1.776 1.00 0.00 H new ATOM 0 HD1 PHE A 4 3.198 0.771 -2.725 1.00 0.00 H new ATOM 0 HD2 PHE A 4 5.096 -3.033 -2.654 1.00 0.00 H new ATOM 0 HE1 PHE A 4 4.658 1.485 -4.552 1.00 0.00 H new ATOM 0 HE2 PHE A 4 6.581 -2.329 -4.472 1.00 0.00 H new ATOM 0 HZ PHE A 4 6.371 -0.063 -5.433 1.00 0.00 H new ATOM 87 N ALA A 5 3.272 -1.476 1.739 1.00 0.00 N ATOM 88 CA ALA A 5 2.800 -1.936 3.018 1.00 0.00 C ATOM 89 C ALA A 5 1.924 -0.904 3.767 1.00 0.00 C ATOM 90 O ALA A 5 1.203 -1.276 4.693 1.00 0.00 O ATOM 91 CB ALA A 5 4.015 -2.319 3.831 1.00 0.00 C ATOM 0 H ALA A 5 4.261 -1.664 1.573 1.00 0.00 H new ATOM 0 HA ALA A 5 2.141 -2.790 2.863 1.00 0.00 H new ATOM 0 HB1 ALA A 5 3.699 -2.674 4.812 1.00 0.00 H new ATOM 0 HB2 ALA A 5 4.562 -3.110 3.317 1.00 0.00 H new ATOM 0 HB3 ALA A 5 4.661 -1.450 3.951 1.00 0.00 H new ATOM 97 N TRP A 6 1.980 0.385 3.386 1.00 0.00 N ATOM 98 CA TRP A 6 1.169 1.409 4.071 1.00 0.00 C ATOM 99 C TRP A 6 0.092 2.044 3.173 1.00 0.00 C ATOM 100 O TRP A 6 -0.381 3.140 3.472 1.00 0.00 O ATOM 101 CB TRP A 6 2.056 2.518 4.670 1.00 0.00 C ATOM 102 CG TRP A 6 3.046 3.080 3.709 1.00 0.00 C ATOM 103 CD1 TRP A 6 4.388 2.891 3.743 1.00 0.00 C ATOM 104 CD2 TRP A 6 2.784 3.927 2.580 1.00 0.00 C ATOM 105 NE1 TRP A 6 4.975 3.518 2.679 1.00 0.00 N ATOM 106 CE2 TRP A 6 4.013 4.169 1.950 1.00 0.00 C ATOM 107 CE3 TRP A 6 1.632 4.486 2.033 1.00 0.00 C ATOM 108 CZ2 TRP A 6 4.118 4.944 0.792 1.00 0.00 C ATOM 109 CZ3 TRP A 6 1.731 5.249 0.887 1.00 0.00 C ATOM 110 CH2 TRP A 6 2.962 5.469 0.274 1.00 0.00 C ATOM 0 H TRP A 6 2.563 0.737 2.627 1.00 0.00 H new ATOM 0 HA TRP A 6 0.653 0.878 4.871 1.00 0.00 H new ATOM 0 HB2 TRP A 6 1.418 3.324 5.033 1.00 0.00 H new ATOM 0 HB3 TRP A 6 2.588 2.118 5.533 1.00 0.00 H new ATOM 0 HD1 TRP A 6 4.916 2.328 4.499 1.00 0.00 H new ATOM 0 HE1 TRP A 6 5.971 3.504 2.462 1.00 0.00 H new ATOM 0 HE3 TRP A 6 0.672 4.324 2.500 1.00 0.00 H new ATOM 0 HZ2 TRP A 6 5.074 5.123 0.322 1.00 0.00 H new ATOM 0 HZ3 TRP A 6 0.839 5.682 0.459 1.00 0.00 H new ATOM 0 HH2 TRP A 6 3.007 6.064 -0.626 1.00 0.00 H new ATOM 121 N TRP A 7 -0.304 1.372 2.085 1.00 0.00 N ATOM 122 CA TRP A 7 -1.323 1.934 1.177 1.00 0.00 C ATOM 123 C TRP A 7 -1.751 0.961 0.092 1.00 0.00 C ATOM 124 O TRP A 7 -2.855 1.054 -0.432 1.00 0.00 O ATOM 125 CB TRP A 7 -0.784 3.164 0.493 1.00 0.00 C ATOM 126 CG TRP A 7 0.328 2.831 -0.429 1.00 0.00 C ATOM 127 CD1 TRP A 7 1.444 2.116 -0.141 1.00 0.00 C ATOM 128 CD2 TRP A 7 0.430 3.202 -1.786 1.00 0.00 C ATOM 129 NE1 TRP A 7 2.232 2.011 -1.252 1.00 0.00 N ATOM 130 CE2 TRP A 7 1.633 2.676 -2.274 1.00 0.00 C ATOM 131 CE3 TRP A 7 -0.385 3.927 -2.633 1.00 0.00 C ATOM 132 CZ2 TRP A 7 2.045 2.853 -3.577 1.00 0.00 C ATOM 133 CZ3 TRP A 7 0.015 4.112 -3.929 1.00 0.00 C ATOM 134 CH2 TRP A 7 1.224 3.578 -4.397 1.00 0.00 C ATOM 0 H TRP A 7 0.054 0.457 1.812 1.00 0.00 H new ATOM 0 HA TRP A 7 -2.187 2.165 1.800 1.00 0.00 H new ATOM 0 HB2 TRP A 7 -1.584 3.653 -0.063 1.00 0.00 H new ATOM 0 HB3 TRP A 7 -0.436 3.875 1.242 1.00 0.00 H new ATOM 0 HD1 TRP A 7 1.676 1.692 0.825 1.00 0.00 H new ATOM 0 HE1 TRP A 7 3.122 1.516 -1.305 1.00 0.00 H new ATOM 0 HE3 TRP A 7 -1.319 4.339 -2.280 1.00 0.00 H new ATOM 0 HZ2 TRP A 7 2.975 2.438 -3.935 1.00 0.00 H new ATOM 0 HZ3 TRP A 7 -0.611 4.679 -4.602 1.00 0.00 H new ATOM 0 HH2 TRP A 7 1.513 3.742 -5.425 1.00 0.00 H new ATOM 145 N TRP A 8 -0.866 0.052 -0.262 1.00 0.00 N ATOM 146 CA TRP A 8 -1.143 -0.932 -1.293 1.00 0.00 C ATOM 147 C TRP A 8 -2.481 -1.619 -1.072 1.00 0.00 C ATOM 148 O TRP A 8 -3.032 -2.269 -1.960 1.00 0.00 O ATOM 149 CB TRP A 8 -0.029 -1.964 -1.335 1.00 0.00 C ATOM 150 CG TRP A 8 0.118 -2.900 -0.158 1.00 0.00 C ATOM 151 CD1 TRP A 8 0.794 -4.062 -0.153 1.00 0.00 C ATOM 152 CD2 TRP A 8 -0.378 -2.745 1.151 1.00 0.00 C ATOM 153 NE1 TRP A 8 0.714 -4.671 1.077 1.00 0.00 N ATOM 154 CE2 TRP A 8 -0.009 -3.865 1.902 1.00 0.00 C ATOM 155 CE3 TRP A 8 -1.104 -1.767 1.729 1.00 0.00 C ATOM 156 CZ2 TRP A 8 -0.372 -4.006 3.236 1.00 0.00 C ATOM 157 CZ3 TRP A 8 -1.478 -1.878 3.032 1.00 0.00 C ATOM 158 CH2 TRP A 8 -1.113 -2.994 3.785 1.00 0.00 C ATOM 0 H TRP A 8 0.062 -0.027 0.154 1.00 0.00 H new ATOM 0 HA TRP A 8 -1.194 -0.409 -2.248 1.00 0.00 H new ATOM 0 HB2 TRP A 8 -0.171 -2.572 -2.229 1.00 0.00 H new ATOM 0 HB3 TRP A 8 0.914 -1.432 -1.458 1.00 0.00 H new ATOM 0 HD1 TRP A 8 1.328 -4.463 -1.001 1.00 0.00 H new ATOM 0 HE1 TRP A 8 1.125 -5.570 1.328 1.00 0.00 H new ATOM 0 HE3 TRP A 8 -1.388 -0.896 1.158 1.00 0.00 H new ATOM 0 HZ2 TRP A 8 -0.083 -4.873 3.812 1.00 0.00 H new ATOM 0 HZ3 TRP A 8 -2.064 -1.094 3.488 1.00 0.00 H new ATOM 0 HH2 TRP A 8 -1.420 -3.061 4.818 1.00 0.00 H new ATOM 169 N ALA A 9 -2.983 -1.444 0.126 1.00 0.00 N ATOM 170 CA ALA A 9 -4.240 -1.992 0.544 1.00 0.00 C ATOM 171 C ALA A 9 -5.224 -0.849 0.658 1.00 0.00 C ATOM 172 O ALA A 9 -6.396 -0.976 0.316 1.00 0.00 O ATOM 173 CB ALA A 9 -4.111 -2.777 1.836 1.00 0.00 C ATOM 0 H ALA A 9 -2.513 -0.902 0.852 1.00 0.00 H new ATOM 0 HA ALA A 9 -4.601 -2.711 -0.192 1.00 0.00 H new ATOM 0 HB1 ALA A 9 -5.085 -3.176 2.118 1.00 0.00 H new ATOM 0 HB2 ALA A 9 -3.410 -3.599 1.694 1.00 0.00 H new ATOM 0 HB3 ALA A 9 -3.745 -2.121 2.625 1.00 0.00 H new ATOM 179 N PHE A 10 -4.677 0.317 1.031 1.00 0.00 N ATOM 180 CA PHE A 10 -5.436 1.560 1.053 1.00 0.00 C ATOM 181 C PHE A 10 -6.026 1.661 -0.343 1.00 0.00 C ATOM 182 O PHE A 10 -7.017 2.337 -0.616 1.00 0.00 O ATOM 183 CB PHE A 10 -4.465 2.730 1.329 1.00 0.00 C ATOM 184 CG PHE A 10 -4.966 4.101 0.965 1.00 0.00 C ATOM 185 CD1 PHE A 10 -6.260 4.493 1.267 1.00 0.00 C ATOM 186 CD2 PHE A 10 -4.124 5.005 0.322 1.00 0.00 C ATOM 187 CE1 PHE A 10 -6.711 5.757 0.935 1.00 0.00 C ATOM 188 CE2 PHE A 10 -4.573 6.270 -0.010 1.00 0.00 C ATOM 189 CZ PHE A 10 -5.868 6.646 0.297 1.00 0.00 C ATOM 0 H PHE A 10 -3.705 0.417 1.322 1.00 0.00 H new ATOM 0 HA PHE A 10 -6.209 1.590 1.821 1.00 0.00 H new ATOM 0 HB2 PHE A 10 -4.214 2.726 2.390 1.00 0.00 H new ATOM 0 HB3 PHE A 10 -3.540 2.546 0.782 1.00 0.00 H new ATOM 0 HD1 PHE A 10 -6.924 3.804 1.767 1.00 0.00 H new ATOM 0 HD2 PHE A 10 -3.112 4.716 0.081 1.00 0.00 H new ATOM 0 HE1 PHE A 10 -7.723 6.049 1.175 1.00 0.00 H new ATOM 0 HE2 PHE A 10 -3.913 6.964 -0.509 1.00 0.00 H new ATOM 0 HZ PHE A 10 -6.220 7.634 0.038 1.00 0.00 H new ATOM 199 N LEU A 11 -5.345 0.912 -1.200 1.00 0.00 N ATOM 200 CA LEU A 11 -5.635 0.752 -2.598 1.00 0.00 C ATOM 201 C LEU A 11 -6.507 -0.483 -2.841 1.00 0.00 C ATOM 202 O LEU A 11 -7.486 -0.430 -3.585 1.00 0.00 O ATOM 203 CB LEU A 11 -4.295 0.563 -3.293 1.00 0.00 C ATOM 204 CG LEU A 11 -3.402 1.794 -3.340 1.00 0.00 C ATOM 205 CD1 LEU A 11 -1.979 1.374 -3.645 1.00 0.00 C ATOM 206 CD2 LEU A 11 -3.906 2.784 -4.377 1.00 0.00 C ATOM 0 H LEU A 11 -4.529 0.373 -0.910 1.00 0.00 H new ATOM 0 HA LEU A 11 -6.178 1.618 -2.976 1.00 0.00 H new ATOM 0 HB2 LEU A 11 -3.754 -0.238 -2.789 1.00 0.00 H new ATOM 0 HB3 LEU A 11 -4.479 0.230 -4.314 1.00 0.00 H new ATOM 0 HG LEU A 11 -3.426 2.289 -2.369 1.00 0.00 H new ATOM 0 HD11 LEU A 11 -1.339 2.256 -3.679 1.00 0.00 H new ATOM 0 HD12 LEU A 11 -1.625 0.698 -2.867 1.00 0.00 H new ATOM 0 HD13 LEU A 11 -1.948 0.866 -4.609 1.00 0.00 H new ATOM 0 HD21 LEU A 11 -3.253 3.657 -4.394 1.00 0.00 H new ATOM 0 HD22 LEU A 11 -3.907 2.312 -5.360 1.00 0.00 H new ATOM 0 HD23 LEU A 11 -4.919 3.094 -4.122 1.00 0.00 H new ATOM 218 N ARG A 12 -6.114 -1.606 -2.226 1.00 0.00 N ATOM 219 CA ARG A 12 -6.829 -2.872 -2.395 1.00 0.00 C ATOM 220 C ARG A 12 -8.247 -2.814 -1.827 1.00 0.00 C ATOM 221 O ARG A 12 -9.072 -3.682 -2.116 1.00 0.00 O ATOM 222 CB ARG A 12 -6.050 -4.047 -1.773 1.00 0.00 C ATOM 223 CG ARG A 12 -6.240 -4.234 -0.269 1.00 0.00 C ATOM 224 CD ARG A 12 -5.579 -5.515 0.214 1.00 0.00 C ATOM 225 NE ARG A 12 -5.979 -6.674 -0.580 1.00 0.00 N ATOM 226 CZ ARG A 12 -5.487 -7.898 -0.401 1.00 0.00 C ATOM 227 NH1 ARG A 12 -4.577 -8.121 0.538 1.00 0.00 N ATOM 228 NH2 ARG A 12 -5.904 -8.899 -1.163 1.00 0.00 N ATOM 0 H ARG A 12 -5.305 -1.661 -1.608 1.00 0.00 H new ATOM 0 HA ARG A 12 -6.909 -3.041 -3.469 1.00 0.00 H new ATOM 0 HB2 ARG A 12 -6.348 -4.966 -2.277 1.00 0.00 H new ATOM 0 HB3 ARG A 12 -4.988 -3.904 -1.973 1.00 0.00 H new ATOM 0 HG2 ARG A 12 -5.818 -3.381 0.262 1.00 0.00 H new ATOM 0 HG3 ARG A 12 -7.304 -4.260 -0.035 1.00 0.00 H new ATOM 0 HD2 ARG A 12 -4.496 -5.402 0.170 1.00 0.00 H new ATOM 0 HD3 ARG A 12 -5.839 -5.685 1.259 1.00 0.00 H new ATOM 0 HE ARG A 12 -6.675 -6.538 -1.313 1.00 0.00 H new ATOM 0 HH11 ARG A 12 -4.252 -7.353 1.126 1.00 0.00 H new ATOM 0 HH12 ARG A 12 -4.202 -9.060 0.672 1.00 0.00 H new ATOM 0 HH21 ARG A 12 -6.602 -8.732 -1.887 1.00 0.00 H new ATOM 0 HH22 ARG A 12 -5.526 -9.836 -1.025 1.00 0.00 H new ATOM 242 N ARG A 13 -8.528 -1.797 -1.019 1.00 0.00 N ATOM 243 CA ARG A 13 -9.850 -1.644 -0.418 1.00 0.00 C ATOM 244 C ARG A 13 -10.898 -1.310 -1.477 1.00 0.00 C ATOM 245 O ARG A 13 -11.979 -0.811 -1.099 1.00 0.00 O ATOM 246 CB ARG A 13 -9.828 -0.556 0.659 1.00 0.00 C ATOM 247 CG ARG A 13 -9.486 0.822 0.129 1.00 0.00 C ATOM 248 CD ARG A 13 -9.553 1.867 1.230 1.00 0.00 C ATOM 249 NE ARG A 13 -8.600 1.596 2.302 1.00 0.00 N ATOM 250 CZ ARG A 13 -8.463 2.362 3.380 1.00 0.00 C ATOM 251 NH1 ARG A 13 -9.216 3.444 3.530 1.00 0.00 N ATOM 252 NH2 ARG A 13 -7.573 2.047 4.311 1.00 0.00 N ATOM 0 H ARG A 13 -7.861 -1.068 -0.765 1.00 0.00 H new ATOM 0 HA ARG A 13 -10.119 -2.594 0.045 1.00 0.00 H new ATOM 0 HB2 ARG A 13 -10.804 -0.517 1.143 1.00 0.00 H new ATOM 0 HB3 ARG A 13 -9.103 -0.831 1.425 1.00 0.00 H new ATOM 0 HG2 ARG A 13 -8.486 0.810 -0.304 1.00 0.00 H new ATOM 0 HG3 ARG A 13 -10.177 1.088 -0.671 1.00 0.00 H new ATOM 0 HD2 ARG A 13 -9.353 2.852 0.808 1.00 0.00 H new ATOM 0 HD3 ARG A 13 -10.562 1.896 1.641 1.00 0.00 H new ATOM 0 HE ARG A 13 -8.005 0.772 2.219 1.00 0.00 H new ATOM 0 HH11 ARG A 13 -9.903 3.690 2.817 1.00 0.00 H new ATOM 0 HH12 ARG A 13 -9.108 4.029 4.358 1.00 0.00 H new ATOM 0 HH21 ARG A 13 -6.992 1.216 4.201 1.00 0.00 H new ATOM 0 HH22 ARG A 13 -7.469 2.636 5.137 1.00 0.00 H new HETATM 266 N NH2 A 14 -10.541 -1.264 -2.756 1.00 0.00 N TER 269 NH2 A 14