USER MOD reduce.3.24.130724 H: found=0, std=0, add=136, rem=0, adj=1 USER MOD reduce.3.24.130724 removed 136 hydrogens (0 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+ 176:sc= -0.484 (180deg=-0.489) USER MOD ----------------------------------------------------------------- ATOM 1 N VAL A 1 16.029 -1.869 -6.585 1.00 0.00 N ATOM 2 CA VAL A 1 16.273 -0.632 -5.801 1.00 0.00 C ATOM 3 C VAL A 1 17.655 -0.655 -5.157 1.00 0.00 C ATOM 4 O VAL A 1 18.307 -1.697 -5.101 1.00 0.00 O ATOM 5 CB VAL A 1 15.213 -0.447 -4.698 1.00 0.00 C ATOM 6 CG1 VAL A 1 13.838 -0.221 -5.308 1.00 0.00 C ATOM 7 CG2 VAL A 1 15.198 -1.648 -3.764 1.00 0.00 C ATOM 0 H1 VAL A 1 15.058 -1.859 -6.957 1.00 0.00 H new ATOM 0 H2 VAL A 1 16.702 -1.917 -7.376 1.00 0.00 H new ATOM 0 H3 VAL A 1 16.156 -2.699 -5.972 1.00 0.00 H new ATOM 0 HA VAL A 1 16.211 0.202 -6.500 1.00 0.00 H new ATOM 0 HB VAL A 1 15.475 0.436 -4.115 1.00 0.00 H new ATOM 0 HG11 VAL A 1 13.104 -0.093 -4.513 1.00 0.00 H new ATOM 0 HG12 VAL A 1 13.859 0.673 -5.931 1.00 0.00 H new ATOM 0 HG13 VAL A 1 13.565 -1.082 -5.919 1.00 0.00 H new ATOM 0 HG21 VAL A 1 14.443 -1.499 -2.992 1.00 0.00 H new ATOM 0 HG22 VAL A 1 14.963 -2.548 -4.332 1.00 0.00 H new ATOM 0 HG23 VAL A 1 16.177 -1.759 -3.298 1.00 0.00 H new ATOM 19 N ARG A 2 18.094 0.501 -4.670 1.00 0.00 N ATOM 20 CA ARG A 2 19.400 0.613 -4.029 1.00 0.00 C ATOM 21 C ARG A 2 19.310 0.271 -2.548 1.00 0.00 C ATOM 22 O ARG A 2 18.254 0.409 -1.929 1.00 0.00 O ATOM 23 CB ARG A 2 19.960 2.026 -4.209 1.00 0.00 C ATOM 24 CG ARG A 2 20.861 2.172 -5.424 1.00 0.00 C ATOM 25 CD ARG A 2 20.058 2.190 -6.714 1.00 0.00 C ATOM 26 NE ARG A 2 20.854 1.753 -7.860 1.00 0.00 N ATOM 27 CZ ARG A 2 20.338 1.442 -9.047 1.00 0.00 C ATOM 28 NH1 ARG A 2 19.029 1.521 -9.250 1.00 0.00 N ATOM 29 NH2 ARG A 2 21.134 1.053 -10.033 1.00 0.00 N ATOM 0 H ARG A 2 17.566 1.373 -4.707 1.00 0.00 H new ATOM 0 HA ARG A 2 20.074 -0.099 -4.505 1.00 0.00 H new ATOM 0 HB2 ARG A 2 19.131 2.728 -4.295 1.00 0.00 H new ATOM 0 HB3 ARG A 2 20.520 2.302 -3.316 1.00 0.00 H new ATOM 0 HG2 ARG A 2 21.439 3.092 -5.341 1.00 0.00 H new ATOM 0 HG3 ARG A 2 21.575 1.349 -5.450 1.00 0.00 H new ATOM 0 HD2 ARG A 2 19.188 1.542 -6.609 1.00 0.00 H new ATOM 0 HD3 ARG A 2 19.685 3.198 -6.895 1.00 0.00 H new ATOM 0 HE ARG A 2 21.865 1.682 -7.743 1.00 0.00 H new ATOM 0 HH11 ARG A 2 18.413 1.821 -8.495 1.00 0.00 H new ATOM 0 HH12 ARG A 2 18.639 1.282 -10.162 1.00 0.00 H new ATOM 0 HH21 ARG A 2 22.141 0.992 -9.882 1.00 0.00 H new ATOM 0 HH22 ARG A 2 20.740 0.814 -10.943 1.00 0.00 H new ATOM 43 N ARG A 3 20.425 -0.181 -1.987 1.00 0.00 N ATOM 44 CA ARG A 3 20.479 -0.552 -0.579 1.00 0.00 C ATOM 45 C ARG A 3 21.565 0.230 0.158 1.00 0.00 C ATOM 46 O ARG A 3 21.978 -0.153 1.252 1.00 0.00 O ATOM 47 CB ARG A 3 20.734 -2.053 -0.449 1.00 0.00 C ATOM 48 CG ARG A 3 20.682 -2.559 0.983 1.00 0.00 C ATOM 49 CD ARG A 3 20.198 -3.998 1.046 1.00 0.00 C ATOM 50 NE ARG A 3 18.770 -4.082 1.349 1.00 0.00 N ATOM 51 CZ ARG A 3 18.022 -5.156 1.105 1.00 0.00 C ATOM 52 NH1 ARG A 3 18.560 -6.238 0.555 1.00 0.00 N ATOM 53 NH2 ARG A 3 16.732 -5.147 1.411 1.00 0.00 N ATOM 0 H ARG A 3 21.306 -0.300 -2.487 1.00 0.00 H new ATOM 0 HA ARG A 3 19.520 -0.306 -0.124 1.00 0.00 H new ATOM 0 HB2 ARG A 3 19.995 -2.591 -1.042 1.00 0.00 H new ATOM 0 HB3 ARG A 3 21.712 -2.285 -0.872 1.00 0.00 H new ATOM 0 HG2 ARG A 3 21.673 -2.487 1.432 1.00 0.00 H new ATOM 0 HG3 ARG A 3 20.019 -1.924 1.571 1.00 0.00 H new ATOM 0 HD2 ARG A 3 20.396 -4.489 0.093 1.00 0.00 H new ATOM 0 HD3 ARG A 3 20.762 -4.538 1.806 1.00 0.00 H new ATOM 0 HE ARG A 3 18.321 -3.270 1.772 1.00 0.00 H new ATOM 0 HH11 ARG A 3 19.552 -6.250 0.317 1.00 0.00 H new ATOM 0 HH12 ARG A 3 17.982 -7.058 0.371 1.00 0.00 H new ATOM 0 HH21 ARG A 3 16.314 -4.318 1.833 1.00 0.00 H new ATOM 0 HH22 ARG A 3 16.158 -5.969 1.225 1.00 0.00 H new ATOM 67 N PHE A 4 22.021 1.327 -0.453 1.00 0.00 N ATOM 68 CA PHE A 4 23.051 2.175 0.114 1.00 0.00 C ATOM 69 C PHE A 4 22.955 2.276 1.639 1.00 0.00 C ATOM 70 O PHE A 4 22.201 3.084 2.178 1.00 0.00 O ATOM 71 CB PHE A 4 22.955 3.558 -0.527 1.00 0.00 C ATOM 72 CG PHE A 4 21.906 4.451 0.082 1.00 0.00 C ATOM 73 CD1 PHE A 4 20.562 4.138 -0.031 1.00 0.00 C ATOM 74 CD2 PHE A 4 22.268 5.598 0.769 1.00 0.00 C ATOM 75 CE1 PHE A 4 19.597 4.954 0.529 1.00 0.00 C ATOM 76 CE2 PHE A 4 21.308 6.418 1.331 1.00 0.00 C ATOM 77 CZ PHE A 4 19.971 6.096 1.210 1.00 0.00 C ATOM 0 H PHE A 4 21.679 1.646 -1.359 1.00 0.00 H new ATOM 0 HA PHE A 4 24.021 1.727 -0.101 1.00 0.00 H new ATOM 0 HB2 PHE A 4 23.924 4.050 -0.449 1.00 0.00 H new ATOM 0 HB3 PHE A 4 22.742 3.439 -1.589 1.00 0.00 H new ATOM 0 HD1 PHE A 4 20.264 3.246 -0.563 1.00 0.00 H new ATOM 0 HD2 PHE A 4 23.313 5.854 0.867 1.00 0.00 H new ATOM 0 HE1 PHE A 4 18.552 4.699 0.434 1.00 0.00 H new ATOM 0 HE2 PHE A 4 21.603 7.310 1.864 1.00 0.00 H new ATOM 0 HZ PHE A 4 19.219 6.736 1.647 1.00 0.00 H new ATOM 87 N PRO A 5 23.732 1.455 2.352 1.00 0.00 N ATOM 88 CA PRO A 5 23.742 1.464 3.813 1.00 0.00 C ATOM 89 C PRO A 5 24.374 2.743 4.360 1.00 0.00 C ATOM 90 O PRO A 5 24.272 3.804 3.745 1.00 0.00 O ATOM 91 CB PRO A 5 24.575 0.222 4.157 1.00 0.00 C ATOM 92 CG PRO A 5 25.469 0.027 2.987 1.00 0.00 C ATOM 93 CD PRO A 5 24.668 0.460 1.792 1.00 0.00 C ATOM 0 HA PRO A 5 22.744 1.441 4.252 1.00 0.00 H new ATOM 0 HB2 PRO A 5 25.148 0.371 5.072 1.00 0.00 H new ATOM 0 HB3 PRO A 5 23.939 -0.648 4.318 1.00 0.00 H new ATOM 0 HG2 PRO A 5 26.379 0.620 3.085 1.00 0.00 H new ATOM 0 HG3 PRO A 5 25.776 -1.015 2.897 1.00 0.00 H new ATOM 0 HD2 PRO A 5 25.302 0.895 1.019 1.00 0.00 H new ATOM 0 HD3 PRO A 5 24.140 -0.378 1.337 1.00 0.00 H new ATOM 101 N TRP A 6 25.038 2.635 5.499 1.00 0.00 N ATOM 102 CA TRP A 6 25.709 3.771 6.111 1.00 0.00 C ATOM 103 C TRP A 6 27.191 3.451 6.250 1.00 0.00 C ATOM 104 O TRP A 6 27.946 4.175 6.899 1.00 0.00 O ATOM 105 CB TRP A 6 25.101 4.106 7.480 1.00 0.00 C ATOM 106 CG TRP A 6 24.696 2.905 8.284 1.00 0.00 C ATOM 107 CD1 TRP A 6 23.891 1.878 7.881 1.00 0.00 C ATOM 108 CD2 TRP A 6 25.071 2.613 9.635 1.00 0.00 C ATOM 109 NE1 TRP A 6 23.749 0.963 8.895 1.00 0.00 N ATOM 110 CE2 TRP A 6 24.462 1.393 9.984 1.00 0.00 C ATOM 111 CE3 TRP A 6 25.864 3.264 10.584 1.00 0.00 C ATOM 112 CZ2 TRP A 6 24.622 0.812 11.240 1.00 0.00 C ATOM 113 CZ3 TRP A 6 26.022 2.686 11.830 1.00 0.00 C ATOM 114 CH2 TRP A 6 25.404 1.470 12.147 1.00 0.00 C ATOM 0 H TRP A 6 25.127 1.764 6.023 1.00 0.00 H new ATOM 0 HA TRP A 6 25.578 4.646 5.474 1.00 0.00 H new ATOM 0 HB2 TRP A 6 25.824 4.686 8.054 1.00 0.00 H new ATOM 0 HB3 TRP A 6 24.228 4.741 7.332 1.00 0.00 H new ATOM 0 HD1 TRP A 6 23.433 1.797 6.906 1.00 0.00 H new ATOM 0 HE1 TRP A 6 23.202 0.103 8.846 1.00 0.00 H new ATOM 0 HE3 TRP A 6 26.345 4.202 10.348 1.00 0.00 H new ATOM 0 HZ2 TRP A 6 24.145 -0.125 11.488 1.00 0.00 H new ATOM 0 HZ3 TRP A 6 26.632 3.181 12.571 1.00 0.00 H new ATOM 0 HH2 TRP A 6 25.548 1.043 13.129 1.00 0.00 H new ATOM 125 N TRP A 7 27.588 2.344 5.624 1.00 0.00 N ATOM 126 CA TRP A 7 28.961 1.884 5.651 1.00 0.00 C ATOM 127 C TRP A 7 29.467 1.597 4.234 1.00 0.00 C ATOM 128 O TRP A 7 30.610 1.177 4.048 1.00 0.00 O ATOM 129 CB TRP A 7 29.059 0.626 6.513 1.00 0.00 C ATOM 130 CG TRP A 7 28.263 -0.522 5.975 1.00 0.00 C ATOM 131 CD1 TRP A 7 26.980 -0.855 6.304 1.00 0.00 C ATOM 132 CD2 TRP A 7 28.693 -1.491 5.011 1.00 0.00 C ATOM 133 NE1 TRP A 7 26.586 -1.970 5.605 1.00 0.00 N ATOM 134 CE2 TRP A 7 27.621 -2.379 4.805 1.00 0.00 C ATOM 135 CE3 TRP A 7 29.882 -1.692 4.303 1.00 0.00 C ATOM 136 CZ2 TRP A 7 27.701 -3.450 3.919 1.00 0.00 C ATOM 137 CZ3 TRP A 7 29.960 -2.757 3.424 1.00 0.00 C ATOM 138 CH2 TRP A 7 28.876 -3.624 3.239 1.00 0.00 C ATOM 0 H TRP A 7 26.961 1.746 5.086 1.00 0.00 H new ATOM 0 HA TRP A 7 29.586 2.667 6.080 1.00 0.00 H new ATOM 0 HB2 TRP A 7 30.105 0.329 6.593 1.00 0.00 H new ATOM 0 HB3 TRP A 7 28.715 0.857 7.521 1.00 0.00 H new ATOM 0 HD1 TRP A 7 26.364 -0.319 7.011 1.00 0.00 H new ATOM 0 HE1 TRP A 7 25.673 -2.420 5.671 1.00 0.00 H new ATOM 0 HE3 TRP A 7 30.723 -1.028 4.440 1.00 0.00 H new ATOM 0 HZ2 TRP A 7 26.866 -4.119 3.774 1.00 0.00 H new ATOM 0 HZ3 TRP A 7 30.873 -2.923 2.871 1.00 0.00 H new ATOM 0 HH2 TRP A 7 28.969 -4.447 2.546 1.00 0.00 H new ATOM 149 N TRP A 8 28.611 1.836 3.235 1.00 0.00 N ATOM 150 CA TRP A 8 28.967 1.618 1.848 1.00 0.00 C ATOM 151 C TRP A 8 29.994 2.641 1.351 1.00 0.00 C ATOM 152 O TRP A 8 30.794 2.329 0.474 1.00 0.00 O ATOM 153 CB TRP A 8 27.708 1.685 0.983 1.00 0.00 C ATOM 154 CG TRP A 8 27.551 2.977 0.250 1.00 0.00 C ATOM 155 CD1 TRP A 8 28.071 3.291 -0.959 1.00 0.00 C ATOM 156 CD2 TRP A 8 26.845 4.126 0.696 1.00 0.00 C ATOM 157 NE1 TRP A 8 27.706 4.567 -1.316 1.00 0.00 N ATOM 158 CE2 TRP A 8 26.950 5.103 -0.307 1.00 0.00 C ATOM 159 CE3 TRP A 8 26.128 4.412 1.848 1.00 0.00 C ATOM 160 CZ2 TRP A 8 26.354 6.356 -0.188 1.00 0.00 C ATOM 161 CZ3 TRP A 8 25.537 5.652 1.974 1.00 0.00 C ATOM 162 CH2 TRP A 8 25.650 6.613 0.958 1.00 0.00 C ATOM 0 H TRP A 8 27.662 2.183 3.373 1.00 0.00 H new ATOM 0 HA TRP A 8 29.424 0.631 1.771 1.00 0.00 H new ATOM 0 HB2 TRP A 8 27.730 0.868 0.261 1.00 0.00 H new ATOM 0 HB3 TRP A 8 26.834 1.528 1.616 1.00 0.00 H new ATOM 0 HD1 TRP A 8 28.684 2.634 -1.557 1.00 0.00 H new ATOM 0 HE1 TRP A 8 27.956 5.036 -2.186 1.00 0.00 H new ATOM 0 HE3 TRP A 8 26.034 3.676 2.633 1.00 0.00 H new ATOM 0 HZ2 TRP A 8 26.444 7.096 -0.969 1.00 0.00 H new ATOM 0 HZ3 TRP A 8 24.979 5.887 2.868 1.00 0.00 H new ATOM 0 HH2 TRP A 8 25.173 7.574 1.082 1.00 0.00 H new ATOM 173 N PRO A 9 29.971 3.892 1.865 1.00 0.00 N ATOM 174 CA PRO A 9 30.874 4.942 1.437 1.00 0.00 C ATOM 175 C PRO A 9 32.273 4.442 1.066 1.00 0.00 C ATOM 176 O PRO A 9 32.929 5.011 0.194 1.00 0.00 O ATOM 177 CB PRO A 9 30.947 5.876 2.661 1.00 0.00 C ATOM 178 CG PRO A 9 29.964 5.328 3.649 1.00 0.00 C ATOM 179 CD PRO A 9 29.057 4.432 2.863 1.00 0.00 C ATOM 0 HA PRO A 9 30.511 5.420 0.527 1.00 0.00 H new ATOM 0 HB2 PRO A 9 31.953 5.895 3.079 1.00 0.00 H new ATOM 0 HB3 PRO A 9 30.696 6.901 2.387 1.00 0.00 H new ATOM 0 HG2 PRO A 9 30.471 4.776 4.440 1.00 0.00 H new ATOM 0 HG3 PRO A 9 29.403 6.130 4.129 1.00 0.00 H new ATOM 0 HD2 PRO A 9 28.617 3.650 3.482 1.00 0.00 H new ATOM 0 HD3 PRO A 9 28.232 4.981 2.409 1.00 0.00 H new ATOM 187 N PHE A 10 32.730 3.386 1.738 1.00 0.00 N ATOM 188 CA PHE A 10 34.059 2.835 1.476 1.00 0.00 C ATOM 189 C PHE A 10 33.999 1.349 1.115 1.00 0.00 C ATOM 190 O PHE A 10 34.983 0.628 1.277 1.00 0.00 O ATOM 191 CB PHE A 10 34.964 3.030 2.695 1.00 0.00 C ATOM 192 CG PHE A 10 34.659 4.270 3.488 1.00 0.00 C ATOM 193 CD1 PHE A 10 33.653 4.269 4.442 1.00 0.00 C ATOM 194 CD2 PHE A 10 35.377 5.435 3.278 1.00 0.00 C ATOM 195 CE1 PHE A 10 33.372 5.408 5.173 1.00 0.00 C ATOM 196 CE2 PHE A 10 35.101 6.577 4.006 1.00 0.00 C ATOM 197 CZ PHE A 10 34.097 6.563 4.954 1.00 0.00 C ATOM 0 H PHE A 10 32.204 2.898 2.463 1.00 0.00 H new ATOM 0 HA PHE A 10 34.471 3.374 0.623 1.00 0.00 H new ATOM 0 HB2 PHE A 10 34.871 2.162 3.347 1.00 0.00 H new ATOM 0 HB3 PHE A 10 36.001 3.069 2.363 1.00 0.00 H new ATOM 0 HD1 PHE A 10 33.083 3.368 4.616 1.00 0.00 H new ATOM 0 HD2 PHE A 10 36.162 5.452 2.537 1.00 0.00 H new ATOM 0 HE1 PHE A 10 32.587 5.395 5.914 1.00 0.00 H new ATOM 0 HE2 PHE A 10 35.670 7.479 3.834 1.00 0.00 H new ATOM 0 HZ PHE A 10 33.879 7.454 5.524 1.00 0.00 H new ATOM 207 N LEU A 11 32.849 0.894 0.624 1.00 0.00 N ATOM 208 CA LEU A 11 32.688 -0.508 0.245 1.00 0.00 C ATOM 209 C LEU A 11 32.976 -0.723 -1.244 1.00 0.00 C ATOM 210 O LEU A 11 32.899 -1.847 -1.741 1.00 0.00 O ATOM 211 CB LEU A 11 31.276 -1.000 0.598 1.00 0.00 C ATOM 212 CG LEU A 11 30.253 -0.998 -0.547 1.00 0.00 C ATOM 213 CD1 LEU A 11 28.884 -1.426 -0.040 1.00 0.00 C ATOM 214 CD2 LEU A 11 30.172 0.375 -1.200 1.00 0.00 C ATOM 0 H LEU A 11 32.020 1.471 0.480 1.00 0.00 H new ATOM 0 HA LEU A 11 33.415 -1.092 0.810 1.00 0.00 H new ATOM 0 HB2 LEU A 11 31.354 -2.015 0.986 1.00 0.00 H new ATOM 0 HB3 LEU A 11 30.888 -0.379 1.405 1.00 0.00 H new ATOM 0 HG LEU A 11 30.585 -1.714 -1.299 1.00 0.00 H new ATOM 0 HD11 LEU A 11 28.172 -1.419 -0.865 1.00 0.00 H new ATOM 0 HD12 LEU A 11 28.948 -2.432 0.375 1.00 0.00 H new ATOM 0 HD13 LEU A 11 28.550 -0.735 0.734 1.00 0.00 H new ATOM 0 HD21 LEU A 11 29.441 0.351 -2.008 1.00 0.00 H new ATOM 0 HD22 LEU A 11 29.869 1.114 -0.458 1.00 0.00 H new ATOM 0 HD23 LEU A 11 31.148 0.645 -1.602 1.00 0.00 H new ATOM 226 N ARG A 12 33.305 0.357 -1.951 1.00 0.00 N ATOM 227 CA ARG A 12 33.599 0.275 -3.377 1.00 0.00 C ATOM 228 C ARG A 12 34.731 -0.711 -3.647 1.00 0.00 C ATOM 229 O ARG A 12 35.539 -1.001 -2.764 1.00 0.00 O ATOM 230 CB ARG A 12 33.968 1.655 -3.924 1.00 0.00 C ATOM 231 CG ARG A 12 33.638 1.834 -5.399 1.00 0.00 C ATOM 232 CD ARG A 12 32.654 2.972 -5.620 1.00 0.00 C ATOM 233 NE ARG A 12 31.292 2.485 -5.827 1.00 0.00 N ATOM 234 CZ ARG A 12 30.849 1.988 -6.980 1.00 0.00 C ATOM 235 NH1 ARG A 12 31.655 1.911 -8.031 1.00 0.00 N ATOM 236 NH2 ARG A 12 29.596 1.566 -7.081 1.00 0.00 N ATOM 0 H ARG A 12 33.374 1.296 -1.559 1.00 0.00 H new ATOM 0 HA ARG A 12 32.703 -0.082 -3.885 1.00 0.00 H new ATOM 0 HB2 ARG A 12 33.443 2.417 -3.348 1.00 0.00 H new ATOM 0 HB3 ARG A 12 35.035 1.822 -3.776 1.00 0.00 H new ATOM 0 HG2 ARG A 12 34.554 2.031 -5.956 1.00 0.00 H new ATOM 0 HG3 ARG A 12 33.219 0.908 -5.793 1.00 0.00 H new ATOM 0 HD2 ARG A 12 32.673 3.640 -4.759 1.00 0.00 H new ATOM 0 HD3 ARG A 12 32.965 3.558 -6.485 1.00 0.00 H new ATOM 0 HE ARG A 12 30.642 2.528 -5.042 1.00 0.00 H new ATOM 0 HH11 ARG A 12 32.620 2.234 -7.958 1.00 0.00 H new ATOM 0 HH12 ARG A 12 31.310 1.529 -8.912 1.00 0.00 H new ATOM 0 HH21 ARG A 12 28.972 1.622 -6.276 1.00 0.00 H new ATOM 0 HH22 ARG A 12 29.256 1.185 -7.964 1.00 0.00 H new ATOM 250 N ARG A 13 34.783 -1.223 -4.873 1.00 0.00 N ATOM 251 CA ARG A 13 35.815 -2.177 -5.261 1.00 0.00 C ATOM 252 C ARG A 13 37.205 -1.570 -5.104 1.00 0.00 C ATOM 253 O ARG A 13 38.193 -2.332 -5.162 1.00 0.00 O ATOM 254 CB ARG A 13 35.602 -2.625 -6.708 1.00 0.00 C ATOM 255 CG ARG A 13 34.273 -3.326 -6.939 1.00 0.00 C ATOM 256 CD ARG A 13 34.449 -4.832 -7.062 1.00 0.00 C ATOM 257 NE ARG A 13 34.313 -5.505 -5.772 1.00 0.00 N ATOM 258 CZ ARG A 13 33.145 -5.772 -5.194 1.00 0.00 C ATOM 259 NH1 ARG A 13 32.009 -5.429 -5.788 1.00 0.00 N ATOM 260 NH2 ARG A 13 33.112 -6.387 -4.019 1.00 0.00 N ATOM 261 OXT ARG A 13 37.294 -0.337 -4.923 1.00 0.00 O ATOM 0 H ARG A 13 34.122 -0.993 -5.615 1.00 0.00 H new ATOM 0 HA ARG A 13 35.741 -3.043 -4.603 1.00 0.00 H new ATOM 0 HB2 ARG A 13 35.663 -1.755 -7.362 1.00 0.00 H new ATOM 0 HB3 ARG A 13 36.412 -3.296 -6.995 1.00 0.00 H new ATOM 0 HG2 ARG A 13 33.596 -3.104 -6.114 1.00 0.00 H new ATOM 0 HG3 ARG A 13 33.809 -2.938 -7.846 1.00 0.00 H new ATOM 0 HD2 ARG A 13 33.709 -5.228 -7.758 1.00 0.00 H new ATOM 0 HD3 ARG A 13 35.431 -5.049 -7.483 1.00 0.00 H new ATOM 0 HE ARG A 13 35.164 -5.787 -5.286 1.00 0.00 H new ATOM 0 HH11 ARG A 13 32.028 -4.958 -6.693 1.00 0.00 H new ATOM 0 HH12 ARG A 13 31.116 -5.636 -5.340 1.00 0.00 H new ATOM 0 HH21 ARG A 13 33.982 -6.655 -3.559 1.00 0.00 H new ATOM 0 HH22 ARG A 13 32.217 -6.592 -3.576 1.00 0.00 H new TER 275 ARG A 13