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+ -113:sc= -0.368 (180deg=-0.505) USER MOD ----------------------------------------------------------------- ATOM 1 N VAL A 1 16.268 -5.838 -1.736 1.00 0.00 N ATOM 2 CA VAL A 1 17.341 -4.975 -2.294 1.00 0.00 C ATOM 3 C VAL A 1 18.099 -4.256 -1.184 1.00 0.00 C ATOM 4 O VAL A 1 17.813 -4.445 -0.001 1.00 0.00 O ATOM 5 CB VAL A 1 16.770 -3.927 -3.268 1.00 0.00 C ATOM 6 CG1 VAL A 1 16.159 -4.604 -4.485 1.00 0.00 C ATOM 7 CG2 VAL A 1 15.745 -3.047 -2.567 1.00 0.00 C ATOM 0 H1 VAL A 1 16.500 -6.837 -1.910 1.00 0.00 H new ATOM 0 H2 VAL A 1 16.188 -5.674 -0.712 1.00 0.00 H new ATOM 0 H3 VAL A 1 15.364 -5.608 -2.195 1.00 0.00 H new ATOM 0 HA VAL A 1 18.024 -5.630 -2.835 1.00 0.00 H new ATOM 0 HB VAL A 1 17.588 -3.292 -3.608 1.00 0.00 H new ATOM 0 HG11 VAL A 1 15.761 -3.847 -5.161 1.00 0.00 H new ATOM 0 HG12 VAL A 1 16.924 -5.185 -5.000 1.00 0.00 H new ATOM 0 HG13 VAL A 1 15.353 -5.266 -4.167 1.00 0.00 H new ATOM 0 HG21 VAL A 1 15.353 -2.313 -3.271 1.00 0.00 H new ATOM 0 HG22 VAL A 1 14.928 -3.665 -2.195 1.00 0.00 H new ATOM 0 HG23 VAL A 1 16.219 -2.531 -1.732 1.00 0.00 H new ATOM 19 N ARG A 2 19.065 -3.433 -1.572 1.00 0.00 N ATOM 20 CA ARG A 2 19.865 -2.686 -0.609 1.00 0.00 C ATOM 21 C ARG A 2 19.511 -1.207 -0.638 1.00 0.00 C ATOM 22 O ARG A 2 18.915 -0.714 -1.594 1.00 0.00 O ATOM 23 CB ARG A 2 21.356 -2.871 -0.895 1.00 0.00 C ATOM 24 CG ARG A 2 21.775 -4.327 -1.018 1.00 0.00 C ATOM 25 CD ARG A 2 23.288 -4.474 -1.005 1.00 0.00 C ATOM 26 NE ARG A 2 23.820 -4.541 0.354 1.00 0.00 N ATOM 27 CZ ARG A 2 25.097 -4.321 0.663 1.00 0.00 C ATOM 28 NH1 ARG A 2 25.973 -4.019 -0.287 1.00 0.00 N ATOM 29 NH2 ARG A 2 25.497 -4.403 1.924 1.00 0.00 N ATOM 0 H ARG A 2 19.314 -3.266 -2.547 1.00 0.00 H new ATOM 0 HA ARG A 2 19.643 -3.075 0.385 1.00 0.00 H new ATOM 0 HB2 ARG A 2 21.608 -2.350 -1.819 1.00 0.00 H new ATOM 0 HB3 ARG A 2 21.932 -2.402 -0.097 1.00 0.00 H new ATOM 0 HG2 ARG A 2 21.346 -4.901 -0.197 1.00 0.00 H new ATOM 0 HG3 ARG A 2 21.376 -4.745 -1.942 1.00 0.00 H new ATOM 0 HD2 ARG A 2 23.569 -5.376 -1.549 1.00 0.00 H new ATOM 0 HD3 ARG A 2 23.739 -3.631 -1.530 1.00 0.00 H new ATOM 0 HE ARG A 2 23.176 -4.770 1.111 1.00 0.00 H new ATOM 0 HH11 ARG A 2 25.670 -3.954 -1.259 1.00 0.00 H new ATOM 0 HH12 ARG A 2 26.950 -3.851 -0.045 1.00 0.00 H new ATOM 0 HH21 ARG A 2 24.827 -4.635 2.658 1.00 0.00 H new ATOM 0 HH22 ARG A 2 26.475 -4.235 2.161 1.00 0.00 H new ATOM 43 N ARG A 3 19.881 -0.511 0.426 1.00 0.00 N ATOM 44 CA ARG A 3 19.609 0.911 0.549 1.00 0.00 C ATOM 45 C ARG A 3 20.895 1.720 0.404 1.00 0.00 C ATOM 46 O ARG A 3 21.287 2.448 1.314 1.00 0.00 O ATOM 47 CB ARG A 3 18.954 1.186 1.901 1.00 0.00 C ATOM 48 CG ARG A 3 18.487 2.621 2.080 1.00 0.00 C ATOM 49 CD ARG A 3 17.738 2.800 3.392 1.00 0.00 C ATOM 50 NE ARG A 3 16.831 3.943 3.353 1.00 0.00 N ATOM 51 CZ ARG A 3 15.678 3.951 2.687 1.00 0.00 C ATOM 52 NH1 ARG A 3 15.289 2.881 2.004 1.00 0.00 N ATOM 53 NH2 ARG A 3 14.912 5.033 2.703 1.00 0.00 N ATOM 0 H ARG A 3 20.375 -0.913 1.223 1.00 0.00 H new ATOM 0 HA ARG A 3 18.930 1.214 -0.248 1.00 0.00 H new ATOM 0 HB2 ARG A 3 18.100 0.519 2.022 1.00 0.00 H new ATOM 0 HB3 ARG A 3 19.663 0.944 2.693 1.00 0.00 H new ATOM 0 HG2 ARG A 3 19.346 3.291 2.055 1.00 0.00 H new ATOM 0 HG3 ARG A 3 17.840 2.901 1.249 1.00 0.00 H new ATOM 0 HD2 ARG A 3 17.172 1.895 3.612 1.00 0.00 H new ATOM 0 HD3 ARG A 3 18.454 2.933 4.203 1.00 0.00 H new ATOM 0 HE ARG A 3 17.096 4.784 3.866 1.00 0.00 H new ATOM 0 HH11 ARG A 3 15.875 2.046 1.987 1.00 0.00 H new ATOM 0 HH12 ARG A 3 14.405 2.894 1.496 1.00 0.00 H new ATOM 0 HH21 ARG A 3 15.206 5.858 3.225 1.00 0.00 H new ATOM 0 HH22 ARG A 3 14.029 5.040 2.193 1.00 0.00 H new ATOM 67 N PHE A 4 21.547 1.574 -0.752 1.00 0.00 N ATOM 68 CA PHE A 4 22.790 2.260 -1.052 1.00 0.00 C ATOM 69 C PHE A 4 22.852 3.662 -0.444 1.00 0.00 C ATOM 70 O PHE A 4 22.372 4.635 -1.026 1.00 0.00 O ATOM 71 CB PHE A 4 22.968 2.318 -2.568 1.00 0.00 C ATOM 72 CG PHE A 4 22.245 3.458 -3.234 1.00 0.00 C ATOM 73 CD1 PHE A 4 20.878 3.614 -3.073 1.00 0.00 C ATOM 74 CD2 PHE A 4 22.933 4.373 -4.014 1.00 0.00 C ATOM 75 CE1 PHE A 4 20.210 4.661 -3.679 1.00 0.00 C ATOM 76 CE2 PHE A 4 22.270 5.423 -4.624 1.00 0.00 C ATOM 77 CZ PHE A 4 20.906 5.565 -4.457 1.00 0.00 C ATOM 0 H PHE A 4 21.219 0.971 -1.506 1.00 0.00 H new ATOM 0 HA PHE A 4 23.606 1.698 -0.599 1.00 0.00 H new ATOM 0 HB2 PHE A 4 24.031 2.396 -2.794 1.00 0.00 H new ATOM 0 HB3 PHE A 4 22.618 1.380 -2.999 1.00 0.00 H new ATOM 0 HD1 PHE A 4 20.328 2.909 -2.467 1.00 0.00 H new ATOM 0 HD2 PHE A 4 23.999 4.265 -4.147 1.00 0.00 H new ATOM 0 HE1 PHE A 4 19.144 4.772 -3.544 1.00 0.00 H new ATOM 0 HE2 PHE A 4 22.818 6.130 -5.229 1.00 0.00 H new ATOM 0 HZ PHE A 4 20.385 6.382 -4.934 1.00 0.00 H new ATOM 87 N PRO A 5 23.459 3.783 0.740 1.00 0.00 N ATOM 88 CA PRO A 5 23.596 5.069 1.417 1.00 0.00 C ATOM 89 C PRO A 5 24.575 5.984 0.684 1.00 0.00 C ATOM 90 O PRO A 5 24.698 5.919 -0.539 1.00 0.00 O ATOM 91 CB PRO A 5 24.113 4.675 2.805 1.00 0.00 C ATOM 92 CG PRO A 5 24.826 3.388 2.595 1.00 0.00 C ATOM 93 CD PRO A 5 24.068 2.679 1.508 1.00 0.00 C ATOM 0 HA PRO A 5 22.666 5.636 1.457 1.00 0.00 H new ATOM 0 HB2 PRO A 5 24.781 5.436 3.209 1.00 0.00 H new ATOM 0 HB3 PRO A 5 23.293 4.562 3.515 1.00 0.00 H new ATOM 0 HG2 PRO A 5 25.863 3.557 2.304 1.00 0.00 H new ATOM 0 HG3 PRO A 5 24.844 2.796 3.510 1.00 0.00 H new ATOM 0 HD2 PRO A 5 24.728 2.074 0.887 1.00 0.00 H new ATOM 0 HD3 PRO A 5 23.312 2.009 1.917 1.00 0.00 H new ATOM 101 N TRP A 6 25.279 6.819 1.432 1.00 0.00 N ATOM 102 CA TRP A 6 26.264 7.723 0.859 1.00 0.00 C ATOM 103 C TRP A 6 27.625 7.423 1.469 1.00 0.00 C ATOM 104 O TRP A 6 28.592 8.159 1.274 1.00 0.00 O ATOM 105 CB TRP A 6 25.878 9.189 1.098 1.00 0.00 C ATOM 106 CG TRP A 6 25.274 9.453 2.446 1.00 0.00 C ATOM 107 CD1 TRP A 6 24.212 8.810 3.014 1.00 0.00 C ATOM 108 CD2 TRP A 6 25.691 10.446 3.392 1.00 0.00 C ATOM 109 NE1 TRP A 6 23.949 9.333 4.256 1.00 0.00 N ATOM 110 CE2 TRP A 6 24.842 10.342 4.510 1.00 0.00 C ATOM 111 CE3 TRP A 6 26.702 11.411 3.402 1.00 0.00 C ATOM 112 CZ2 TRP A 6 24.974 11.165 5.625 1.00 0.00 C ATOM 113 CZ3 TRP A 6 26.831 12.229 4.509 1.00 0.00 C ATOM 114 CH2 TRP A 6 25.971 12.101 5.607 1.00 0.00 C ATOM 0 H TRP A 6 25.185 6.889 2.445 1.00 0.00 H new ATOM 0 HA TRP A 6 26.303 7.568 -0.219 1.00 0.00 H new ATOM 0 HB2 TRP A 6 26.766 9.811 0.982 1.00 0.00 H new ATOM 0 HB3 TRP A 6 25.170 9.497 0.328 1.00 0.00 H new ATOM 0 HD1 TRP A 6 23.658 8.006 2.553 1.00 0.00 H new ATOM 0 HE1 TRP A 6 23.210 9.022 4.887 1.00 0.00 H new ATOM 0 HE3 TRP A 6 27.370 11.516 2.560 1.00 0.00 H new ATOM 0 HZ2 TRP A 6 24.313 11.068 6.474 1.00 0.00 H new ATOM 0 HZ3 TRP A 6 27.608 12.979 4.527 1.00 0.00 H new ATOM 0 HH2 TRP A 6 26.098 12.755 6.457 1.00 0.00 H new ATOM 125 N TRP A 7 27.677 6.322 2.217 1.00 0.00 N ATOM 126 CA TRP A 7 28.891 5.885 2.876 1.00 0.00 C ATOM 127 C TRP A 7 29.182 4.414 2.563 1.00 0.00 C ATOM 128 O TRP A 7 30.151 3.845 3.065 1.00 0.00 O ATOM 129 CB TRP A 7 28.755 6.092 4.384 1.00 0.00 C ATOM 130 CG TRP A 7 27.627 5.316 4.991 1.00 0.00 C ATOM 131 CD1 TRP A 7 26.342 5.743 5.166 1.00 0.00 C ATOM 132 CD2 TRP A 7 27.680 3.981 5.507 1.00 0.00 C ATOM 133 NE1 TRP A 7 25.593 4.756 5.758 1.00 0.00 N ATOM 134 CE2 TRP A 7 26.390 3.663 5.977 1.00 0.00 C ATOM 135 CE3 TRP A 7 28.691 3.020 5.617 1.00 0.00 C ATOM 136 CZ2 TRP A 7 26.088 2.430 6.547 1.00 0.00 C ATOM 137 CZ3 TRP A 7 28.388 1.796 6.183 1.00 0.00 C ATOM 138 CH2 TRP A 7 27.096 1.510 6.641 1.00 0.00 C ATOM 0 H TRP A 7 26.875 5.713 2.379 1.00 0.00 H new ATOM 0 HA TRP A 7 29.727 6.478 2.505 1.00 0.00 H new ATOM 0 HB2 TRP A 7 29.688 5.803 4.869 1.00 0.00 H new ATOM 0 HB3 TRP A 7 28.607 7.153 4.586 1.00 0.00 H new ATOM 0 HD1 TRP A 7 25.969 6.715 4.880 1.00 0.00 H new ATOM 0 HE1 TRP A 7 24.604 4.825 5.996 1.00 0.00 H new ATOM 0 HE3 TRP A 7 29.690 3.231 5.266 1.00 0.00 H new ATOM 0 HZ2 TRP A 7 25.093 2.207 6.903 1.00 0.00 H new ATOM 0 HZ3 TRP A 7 29.161 1.047 6.274 1.00 0.00 H new ATOM 0 HH2 TRP A 7 26.891 0.544 7.077 1.00 0.00 H new ATOM 149 N TRP A 8 28.339 3.806 1.723 1.00 0.00 N ATOM 150 CA TRP A 8 28.500 2.420 1.335 1.00 0.00 C ATOM 151 C TRP A 8 29.699 2.220 0.397 1.00 0.00 C ATOM 152 O TRP A 8 30.322 1.165 0.420 1.00 0.00 O ATOM 153 CB TRP A 8 27.216 1.935 0.660 1.00 0.00 C ATOM 154 CG TRP A 8 27.315 1.847 -0.827 1.00 0.00 C ATOM 155 CD1 TRP A 8 27.768 0.803 -1.558 1.00 0.00 C ATOM 156 CD2 TRP A 8 26.968 2.863 -1.749 1.00 0.00 C ATOM 157 NE1 TRP A 8 27.699 1.097 -2.900 1.00 0.00 N ATOM 158 CE2 TRP A 8 27.208 2.369 -3.040 1.00 0.00 C ATOM 159 CE3 TRP A 8 26.467 4.141 -1.594 1.00 0.00 C ATOM 160 CZ2 TRP A 8 26.958 3.126 -4.181 1.00 0.00 C ATOM 161 CZ3 TRP A 8 26.220 4.897 -2.715 1.00 0.00 C ATOM 162 CH2 TRP A 8 26.463 4.389 -3.999 1.00 0.00 C ATOM 0 H TRP A 8 27.533 4.266 1.300 1.00 0.00 H new ATOM 0 HA TRP A 8 28.695 1.836 2.234 1.00 0.00 H new ATOM 0 HB2 TRP A 8 26.956 0.953 1.057 1.00 0.00 H new ATOM 0 HB3 TRP A 8 26.401 2.610 0.922 1.00 0.00 H new ATOM 0 HD1 TRP A 8 28.131 -0.127 -1.147 1.00 0.00 H new ATOM 0 HE1 TRP A 8 27.968 0.474 -3.662 1.00 0.00 H new ATOM 0 HE3 TRP A 8 26.273 4.539 -0.609 1.00 0.00 H new ATOM 0 HZ2 TRP A 8 27.147 2.733 -5.169 1.00 0.00 H new ATOM 0 HZ3 TRP A 8 25.832 5.899 -2.605 1.00 0.00 H new ATOM 0 HH2 TRP A 8 26.256 5.006 -4.861 1.00 0.00 H new ATOM 173 N PRO A 9 30.023 3.204 -0.472 1.00 0.00 N ATOM 174 CA PRO A 9 31.117 3.101 -1.423 1.00 0.00 C ATOM 175 C PRO A 9 32.327 2.320 -0.900 1.00 0.00 C ATOM 176 O PRO A 9 32.855 1.443 -1.583 1.00 0.00 O ATOM 177 CB PRO A 9 31.506 4.570 -1.685 1.00 0.00 C ATOM 178 CG PRO A 9 30.518 5.394 -0.919 1.00 0.00 C ATOM 179 CD PRO A 9 29.356 4.487 -0.659 1.00 0.00 C ATOM 0 HA PRO A 9 30.806 2.549 -2.310 1.00 0.00 H new ATOM 0 HB2 PRO A 9 32.524 4.771 -1.352 1.00 0.00 H new ATOM 0 HB3 PRO A 9 31.467 4.801 -2.749 1.00 0.00 H new ATOM 0 HG2 PRO A 9 30.949 5.756 0.014 1.00 0.00 H new ATOM 0 HG3 PRO A 9 30.212 6.270 -1.490 1.00 0.00 H new ATOM 0 HD2 PRO A 9 28.791 4.788 0.223 1.00 0.00 H new ATOM 0 HD3 PRO A 9 28.656 4.467 -1.495 1.00 0.00 H new ATOM 187 N PHE A 10 32.775 2.668 0.304 1.00 0.00 N ATOM 188 CA PHE A 10 33.939 2.026 0.915 1.00 0.00 C ATOM 189 C PHE A 10 33.675 0.568 1.297 1.00 0.00 C ATOM 190 O PHE A 10 34.603 -0.159 1.654 1.00 0.00 O ATOM 191 CB PHE A 10 34.375 2.812 2.153 1.00 0.00 C ATOM 192 CG PHE A 10 34.604 4.271 1.886 1.00 0.00 C ATOM 193 CD1 PHE A 10 33.562 5.180 1.989 1.00 0.00 C ATOM 194 CD2 PHE A 10 35.860 4.736 1.532 1.00 0.00 C ATOM 195 CE1 PHE A 10 33.770 6.524 1.744 1.00 0.00 C ATOM 196 CE2 PHE A 10 36.074 6.078 1.284 1.00 0.00 C ATOM 197 CZ PHE A 10 35.027 6.974 1.391 1.00 0.00 C ATOM 0 H PHE A 10 32.348 3.394 0.879 1.00 0.00 H new ATOM 0 HA PHE A 10 34.734 2.026 0.169 1.00 0.00 H new ATOM 0 HB2 PHE A 10 33.614 2.707 2.927 1.00 0.00 H new ATOM 0 HB3 PHE A 10 35.292 2.375 2.547 1.00 0.00 H new ATOM 0 HD1 PHE A 10 32.577 4.834 2.264 1.00 0.00 H new ATOM 0 HD2 PHE A 10 36.682 4.041 1.449 1.00 0.00 H new ATOM 0 HE1 PHE A 10 32.950 7.222 1.829 1.00 0.00 H new ATOM 0 HE2 PHE A 10 37.058 6.427 1.007 1.00 0.00 H new ATOM 0 HZ PHE A 10 35.192 8.024 1.199 1.00 0.00 H new ATOM 207 N LEU A 11 32.419 0.141 1.228 1.00 0.00 N ATOM 208 CA LEU A 11 32.058 -1.234 1.574 1.00 0.00 C ATOM 209 C LEU A 11 32.982 -2.238 0.888 1.00 0.00 C ATOM 210 O LEU A 11 33.900 -2.775 1.507 1.00 0.00 O ATOM 211 CB LEU A 11 30.604 -1.521 1.184 1.00 0.00 C ATOM 212 CG LEU A 11 29.548 -1.192 2.249 1.00 0.00 C ATOM 213 CD1 LEU A 11 29.964 0.009 3.091 1.00 0.00 C ATOM 214 CD2 LEU A 11 28.204 -0.933 1.588 1.00 0.00 C ATOM 0 H LEU A 11 31.634 0.723 0.937 1.00 0.00 H new ATOM 0 HA LEU A 11 32.169 -1.343 2.653 1.00 0.00 H new ATOM 0 HB2 LEU A 11 30.371 -0.955 0.282 1.00 0.00 H new ATOM 0 HB3 LEU A 11 30.518 -2.577 0.929 1.00 0.00 H new ATOM 0 HG LEU A 11 29.460 -2.051 2.914 1.00 0.00 H new ATOM 0 HD11 LEU A 11 29.195 0.216 3.835 1.00 0.00 H new ATOM 0 HD12 LEU A 11 30.906 -0.208 3.594 1.00 0.00 H new ATOM 0 HD13 LEU A 11 30.088 0.879 2.447 1.00 0.00 H new ATOM 0 HD21 LEU A 11 27.462 -0.701 2.352 1.00 0.00 H new ATOM 0 HD22 LEU A 11 28.293 -0.092 0.900 1.00 0.00 H new ATOM 0 HD23 LEU A 11 27.892 -1.821 1.037 1.00 0.00 H new ATOM 226 N ARG A 12 32.731 -2.489 -0.395 1.00 0.00 N ATOM 227 CA ARG A 12 33.538 -3.430 -1.163 1.00 0.00 C ATOM 228 C ARG A 12 35.002 -3.000 -1.186 1.00 0.00 C ATOM 229 O ARG A 12 35.836 -3.568 -0.480 1.00 0.00 O ATOM 230 CB ARG A 12 33.000 -3.545 -2.593 1.00 0.00 C ATOM 231 CG ARG A 12 32.577 -4.955 -2.972 1.00 0.00 C ATOM 232 CD ARG A 12 32.940 -5.280 -4.414 1.00 0.00 C ATOM 233 NE ARG A 12 33.791 -6.464 -4.511 1.00 0.00 N ATOM 234 CZ ARG A 12 35.103 -6.453 -4.286 1.00 0.00 C ATOM 235 NH1 ARG A 12 35.717 -5.326 -3.951 1.00 0.00 N ATOM 236 NH2 ARG A 12 35.802 -7.574 -4.396 1.00 0.00 N ATOM 0 H ARG A 12 31.975 -2.053 -0.923 1.00 0.00 H new ATOM 0 HA ARG A 12 33.475 -4.405 -0.680 1.00 0.00 H new ATOM 0 HB2 ARG A 12 32.147 -2.876 -2.706 1.00 0.00 H new ATOM 0 HB3 ARG A 12 33.767 -3.205 -3.289 1.00 0.00 H new ATOM 0 HG2 ARG A 12 33.057 -5.671 -2.305 1.00 0.00 H new ATOM 0 HG3 ARG A 12 31.501 -5.062 -2.834 1.00 0.00 H new ATOM 0 HD2 ARG A 12 32.029 -5.441 -4.990 1.00 0.00 H new ATOM 0 HD3 ARG A 12 33.453 -4.428 -4.860 1.00 0.00 H new ATOM 0 HE ARG A 12 33.355 -7.350 -4.766 1.00 0.00 H new ATOM 0 HH11 ARG A 12 35.184 -4.461 -3.864 1.00 0.00 H new ATOM 0 HH12 ARG A 12 36.723 -5.324 -3.780 1.00 0.00 H new ATOM 0 HH21 ARG A 12 35.334 -8.443 -4.653 1.00 0.00 H new ATOM 0 HH22 ARG A 12 36.807 -7.567 -4.224 1.00 0.00 H new ATOM 250 N ARG A 13 35.309 -1.998 -2.003 1.00 0.00 N ATOM 251 CA ARG A 13 36.671 -1.494 -2.118 1.00 0.00 C ATOM 252 C ARG A 13 37.117 -0.828 -0.820 1.00 0.00 C ATOM 253 O ARG A 13 36.467 0.156 -0.408 1.00 0.00 O ATOM 254 CB ARG A 13 36.776 -0.503 -3.278 1.00 0.00 C ATOM 255 CG ARG A 13 37.145 -1.153 -4.602 1.00 0.00 C ATOM 256 CD ARG A 13 36.282 -0.634 -5.741 1.00 0.00 C ATOM 257 NE ARG A 13 36.619 -1.263 -7.015 1.00 0.00 N ATOM 258 CZ ARG A 13 37.715 -0.979 -7.715 1.00 0.00 C ATOM 259 NH1 ARG A 13 38.579 -0.076 -7.270 1.00 0.00 N ATOM 260 NH2 ARG A 13 37.947 -1.600 -8.863 1.00 0.00 N ATOM 261 OXT ARG A 13 38.112 -1.295 -0.227 1.00 0.00 O ATOM 0 H ARG A 13 34.631 -1.519 -2.596 1.00 0.00 H new ATOM 0 HA ARG A 13 37.329 -2.341 -2.314 1.00 0.00 H new ATOM 0 HB2 ARG A 13 35.823 0.015 -3.390 1.00 0.00 H new ATOM 0 HB3 ARG A 13 37.523 0.252 -3.033 1.00 0.00 H new ATOM 0 HG2 ARG A 13 38.195 -0.959 -4.823 1.00 0.00 H new ATOM 0 HG3 ARG A 13 37.030 -2.234 -4.522 1.00 0.00 H new ATOM 0 HD2 ARG A 13 35.232 -0.818 -5.513 1.00 0.00 H new ATOM 0 HD3 ARG A 13 36.405 0.446 -5.826 1.00 0.00 H new ATOM 0 HE ARG A 13 35.977 -1.961 -7.391 1.00 0.00 H new ATOM 0 HH11 ARG A 13 38.405 0.405 -6.387 1.00 0.00 H new ATOM 0 HH12 ARG A 13 39.417 0.138 -7.811 1.00 0.00 H new ATOM 0 HH21 ARG A 13 37.286 -2.295 -9.210 1.00 0.00 H new ATOM 0 HH22 ARG A 13 38.787 -1.383 -9.400 1.00 0.00 H new TER 275 ARG A 13