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+ -154:sc= -0.108 (180deg=-0.571) USER MOD ----------------------------------------------------------------- ATOM 1 N VAL A 1 16.587 1.159 -7.592 1.00 0.00 N ATOM 2 CA VAL A 1 17.468 0.242 -6.824 1.00 0.00 C ATOM 3 C VAL A 1 17.843 0.843 -5.474 1.00 0.00 C ATOM 4 O VAL A 1 18.212 2.015 -5.387 1.00 0.00 O ATOM 5 CB VAL A 1 18.758 -0.077 -7.602 1.00 0.00 C ATOM 6 CG1 VAL A 1 19.531 -1.197 -6.922 1.00 0.00 C ATOM 7 CG2 VAL A 1 18.437 -0.440 -9.044 1.00 0.00 C ATOM 0 H1 VAL A 1 16.005 0.607 -8.254 1.00 0.00 H new ATOM 0 H2 VAL A 1 15.968 1.677 -6.936 1.00 0.00 H new ATOM 0 H3 VAL A 1 17.170 1.836 -8.125 1.00 0.00 H new ATOM 0 HA VAL A 1 16.906 -0.679 -6.667 1.00 0.00 H new ATOM 0 HB VAL A 1 19.386 0.814 -7.607 1.00 0.00 H new ATOM 0 HG11 VAL A 1 20.439 -1.408 -7.487 1.00 0.00 H new ATOM 0 HG12 VAL A 1 19.796 -0.893 -5.909 1.00 0.00 H new ATOM 0 HG13 VAL A 1 18.913 -2.094 -6.882 1.00 0.00 H new ATOM 0 HG21 VAL A 1 19.361 -0.662 -9.578 1.00 0.00 H new ATOM 0 HG22 VAL A 1 17.788 -1.315 -9.063 1.00 0.00 H new ATOM 0 HG23 VAL A 1 17.932 0.397 -9.526 1.00 0.00 H new ATOM 19 N ARG A 2 17.749 0.034 -4.424 1.00 0.00 N ATOM 20 CA ARG A 2 18.079 0.489 -3.079 1.00 0.00 C ATOM 21 C ARG A 2 18.867 -0.570 -2.323 1.00 0.00 C ATOM 22 O ARG A 2 18.553 -1.759 -2.387 1.00 0.00 O ATOM 23 CB ARG A 2 16.807 0.850 -2.309 1.00 0.00 C ATOM 24 CG ARG A 2 16.914 2.151 -1.532 1.00 0.00 C ATOM 25 CD ARG A 2 15.541 2.717 -1.203 1.00 0.00 C ATOM 26 NE ARG A 2 15.625 4.059 -0.633 1.00 0.00 N ATOM 27 CZ ARG A 2 14.602 4.909 -0.586 1.00 0.00 C ATOM 28 NH1 ARG A 2 13.417 4.560 -1.072 1.00 0.00 N ATOM 29 NH2 ARG A 2 14.763 6.112 -0.052 1.00 0.00 N ATOM 0 H ARG A 2 17.447 -0.939 -4.479 1.00 0.00 H new ATOM 0 HA ARG A 2 18.701 1.379 -3.168 1.00 0.00 H new ATOM 0 HB2 ARG A 2 15.976 0.923 -3.011 1.00 0.00 H new ATOM 0 HB3 ARG A 2 16.570 0.042 -1.617 1.00 0.00 H new ATOM 0 HG2 ARG A 2 17.469 1.981 -0.610 1.00 0.00 H new ATOM 0 HG3 ARG A 2 17.479 2.879 -2.115 1.00 0.00 H new ATOM 0 HD2 ARG A 2 14.934 2.745 -2.108 1.00 0.00 H new ATOM 0 HD3 ARG A 2 15.035 2.055 -0.500 1.00 0.00 H new ATOM 0 HE ARG A 2 16.520 4.362 -0.249 1.00 0.00 H new ATOM 0 HH11 ARG A 2 13.287 3.636 -1.484 1.00 0.00 H new ATOM 0 HH12 ARG A 2 12.637 5.216 -1.033 1.00 0.00 H new ATOM 0 HH21 ARG A 2 15.671 6.386 0.323 1.00 0.00 H new ATOM 0 HH22 ARG A 2 13.979 6.763 -0.016 1.00 0.00 H new ATOM 43 N ARG A 3 19.898 -0.129 -1.614 1.00 0.00 N ATOM 44 CA ARG A 3 20.741 -1.037 -0.850 1.00 0.00 C ATOM 45 C ARG A 3 21.774 -0.273 -0.033 1.00 0.00 C ATOM 46 O ARG A 3 22.080 -0.644 1.100 1.00 0.00 O ATOM 47 CB ARG A 3 21.433 -2.015 -1.795 1.00 0.00 C ATOM 48 CG ARG A 3 22.216 -3.106 -1.082 1.00 0.00 C ATOM 49 CD ARG A 3 23.711 -2.820 -1.087 1.00 0.00 C ATOM 50 NE ARG A 3 24.296 -2.984 -2.417 1.00 0.00 N ATOM 51 CZ ARG A 3 24.548 -1.977 -3.253 1.00 0.00 C ATOM 52 NH1 ARG A 3 24.258 -0.726 -2.912 1.00 0.00 N ATOM 53 NH2 ARG A 3 25.091 -2.221 -4.438 1.00 0.00 N ATOM 0 H ARG A 3 20.170 0.852 -1.553 1.00 0.00 H new ATOM 0 HA ARG A 3 20.109 -1.591 -0.156 1.00 0.00 H new ATOM 0 HB2 ARG A 3 20.683 -2.479 -2.436 1.00 0.00 H new ATOM 0 HB3 ARG A 3 22.110 -1.461 -2.445 1.00 0.00 H new ATOM 0 HG2 ARG A 3 21.865 -3.193 -0.054 1.00 0.00 H new ATOM 0 HG3 ARG A 3 22.027 -4.065 -1.565 1.00 0.00 H new ATOM 0 HD2 ARG A 3 23.887 -1.803 -0.737 1.00 0.00 H new ATOM 0 HD3 ARG A 3 24.210 -3.489 -0.386 1.00 0.00 H new ATOM 0 HE ARG A 3 24.526 -3.929 -2.725 1.00 0.00 H new ATOM 0 HH11 ARG A 3 23.839 -0.529 -2.003 1.00 0.00 H new ATOM 0 HH12 ARG A 3 24.455 0.038 -3.559 1.00 0.00 H new ATOM 0 HH21 ARG A 3 25.315 -3.178 -4.709 1.00 0.00 H new ATOM 0 HH22 ARG A 3 25.284 -1.451 -5.079 1.00 0.00 H new ATOM 67 N PHE A 4 22.307 0.796 -0.621 1.00 0.00 N ATOM 68 CA PHE A 4 23.298 1.634 0.014 1.00 0.00 C ATOM 69 C PHE A 4 23.078 1.759 1.521 1.00 0.00 C ATOM 70 O PHE A 4 22.286 2.577 1.983 1.00 0.00 O ATOM 71 CB PHE A 4 23.256 3.005 -0.641 1.00 0.00 C ATOM 72 CG PHE A 4 22.038 3.808 -0.279 1.00 0.00 C ATOM 73 CD1 PHE A 4 20.799 3.488 -0.808 1.00 0.00 C ATOM 74 CD2 PHE A 4 22.133 4.879 0.594 1.00 0.00 C ATOM 75 CE1 PHE A 4 19.677 4.224 -0.477 1.00 0.00 C ATOM 76 CE2 PHE A 4 21.015 5.619 0.932 1.00 0.00 C ATOM 77 CZ PHE A 4 19.786 5.291 0.393 1.00 0.00 C ATOM 0 H PHE A 4 22.054 1.100 -1.561 1.00 0.00 H new ATOM 0 HA PHE A 4 24.277 1.173 -0.118 1.00 0.00 H new ATOM 0 HB2 PHE A 4 24.147 3.563 -0.354 1.00 0.00 H new ATOM 0 HB3 PHE A 4 23.292 2.882 -1.724 1.00 0.00 H new ATOM 0 HD1 PHE A 4 20.708 2.653 -1.487 1.00 0.00 H new ATOM 0 HD2 PHE A 4 23.092 5.139 1.016 1.00 0.00 H new ATOM 0 HE1 PHE A 4 18.717 3.965 -0.898 1.00 0.00 H new ATOM 0 HE2 PHE A 4 21.102 6.451 1.615 1.00 0.00 H new ATOM 0 HZ PHE A 4 18.911 5.869 0.652 1.00 0.00 H new ATOM 87 N PRO A 5 23.788 0.948 2.307 1.00 0.00 N ATOM 88 CA PRO A 5 23.675 0.984 3.762 1.00 0.00 C ATOM 89 C PRO A 5 24.205 2.299 4.328 1.00 0.00 C ATOM 90 O PRO A 5 24.126 3.338 3.674 1.00 0.00 O ATOM 91 CB PRO A 5 24.519 -0.220 4.205 1.00 0.00 C ATOM 92 CG PRO A 5 25.492 -0.430 3.104 1.00 0.00 C ATOM 93 CD PRO A 5 24.763 -0.057 1.846 1.00 0.00 C ATOM 0 HA PRO A 5 22.646 0.928 4.118 1.00 0.00 H new ATOM 0 HB2 PRO A 5 25.027 -0.021 5.149 1.00 0.00 H new ATOM 0 HB3 PRO A 5 23.898 -1.103 4.358 1.00 0.00 H new ATOM 0 HG2 PRO A 5 26.379 0.188 3.241 1.00 0.00 H new ATOM 0 HG3 PRO A 5 25.828 -1.466 3.070 1.00 0.00 H new ATOM 0 HD2 PRO A 5 25.439 0.352 1.095 1.00 0.00 H new ATOM 0 HD3 PRO A 5 24.271 -0.919 1.395 1.00 0.00 H new ATOM 101 N TRP A 6 24.757 2.249 5.528 1.00 0.00 N ATOM 102 CA TRP A 6 25.322 3.427 6.164 1.00 0.00 C ATOM 103 C TRP A 6 26.793 3.170 6.447 1.00 0.00 C ATOM 104 O TRP A 6 27.439 3.890 7.209 1.00 0.00 O ATOM 105 CB TRP A 6 24.576 3.773 7.460 1.00 0.00 C ATOM 106 CG TRP A 6 24.099 2.579 8.236 1.00 0.00 C ATOM 107 CD1 TRP A 6 23.375 1.523 7.761 1.00 0.00 C ATOM 108 CD2 TRP A 6 24.302 2.330 9.632 1.00 0.00 C ATOM 109 NE1 TRP A 6 23.126 0.628 8.772 1.00 0.00 N ATOM 110 CE2 TRP A 6 23.682 1.101 9.931 1.00 0.00 C ATOM 111 CE3 TRP A 6 24.952 3.023 10.657 1.00 0.00 C ATOM 112 CZ2 TRP A 6 23.693 0.554 11.212 1.00 0.00 C ATOM 113 CZ3 TRP A 6 24.961 2.479 11.928 1.00 0.00 C ATOM 114 CH2 TRP A 6 24.336 1.255 12.195 1.00 0.00 C ATOM 0 H TRP A 6 24.826 1.398 6.086 1.00 0.00 H new ATOM 0 HA TRP A 6 25.217 4.280 5.494 1.00 0.00 H new ATOM 0 HB2 TRP A 6 25.233 4.366 8.096 1.00 0.00 H new ATOM 0 HB3 TRP A 6 23.718 4.399 7.215 1.00 0.00 H new ATOM 0 HD1 TRP A 6 23.046 1.409 6.739 1.00 0.00 H new ATOM 0 HE1 TRP A 6 22.611 -0.247 8.676 1.00 0.00 H new ATOM 0 HE3 TRP A 6 25.439 3.967 10.460 1.00 0.00 H new ATOM 0 HZ2 TRP A 6 23.211 -0.390 11.422 1.00 0.00 H new ATOM 0 HZ3 TRP A 6 25.458 3.007 12.728 1.00 0.00 H new ATOM 0 HH2 TRP A 6 24.362 0.856 13.198 1.00 0.00 H new ATOM 125 N TRP A 7 27.306 2.114 5.819 1.00 0.00 N ATOM 126 CA TRP A 7 28.687 1.710 5.972 1.00 0.00 C ATOM 127 C TRP A 7 29.319 1.392 4.613 1.00 0.00 C ATOM 128 O TRP A 7 30.483 1.000 4.541 1.00 0.00 O ATOM 129 CB TRP A 7 28.754 0.490 6.891 1.00 0.00 C ATOM 130 CG TRP A 7 28.069 -0.715 6.324 1.00 0.00 C ATOM 131 CD1 TRP A 7 26.774 -1.092 6.530 1.00 0.00 C ATOM 132 CD2 TRP A 7 28.643 -1.702 5.458 1.00 0.00 C ATOM 133 NE1 TRP A 7 26.505 -2.252 5.845 1.00 0.00 N ATOM 134 CE2 TRP A 7 27.635 -2.646 5.180 1.00 0.00 C ATOM 135 CE3 TRP A 7 29.908 -1.879 4.892 1.00 0.00 C ATOM 136 CZ2 TRP A 7 27.855 -3.749 4.360 1.00 0.00 C ATOM 137 CZ3 TRP A 7 30.124 -2.976 4.077 1.00 0.00 C ATOM 138 CH2 TRP A 7 29.103 -3.898 3.817 1.00 0.00 C ATOM 0 H TRP A 7 26.768 1.518 5.190 1.00 0.00 H new ATOM 0 HA TRP A 7 29.250 2.531 6.415 1.00 0.00 H new ATOM 0 HB2 TRP A 7 29.799 0.248 7.086 1.00 0.00 H new ATOM 0 HB3 TRP A 7 28.300 0.740 7.850 1.00 0.00 H new ATOM 0 HD1 TRP A 7 26.064 -0.556 7.142 1.00 0.00 H new ATOM 0 HE1 TRP A 7 25.609 -2.740 5.834 1.00 0.00 H new ATOM 0 HE3 TRP A 7 30.702 -1.173 5.087 1.00 0.00 H new ATOM 0 HZ2 TRP A 7 27.069 -4.462 4.159 1.00 0.00 H new ATOM 0 HZ3 TRP A 7 31.098 -3.124 3.633 1.00 0.00 H new ATOM 0 HH2 TRP A 7 29.304 -4.743 3.176 1.00 0.00 H new ATOM 149 N TRP A 8 28.546 1.569 3.534 1.00 0.00 N ATOM 150 CA TRP A 8 29.032 1.309 2.194 1.00 0.00 C ATOM 151 C TRP A 8 30.045 2.365 1.727 1.00 0.00 C ATOM 152 O TRP A 8 30.936 2.059 0.940 1.00 0.00 O ATOM 153 CB TRP A 8 27.852 1.249 1.219 1.00 0.00 C ATOM 154 CG TRP A 8 27.670 2.498 0.417 1.00 0.00 C ATOM 155 CD1 TRP A 8 28.241 2.793 -0.772 1.00 0.00 C ATOM 156 CD2 TRP A 8 26.872 3.615 0.766 1.00 0.00 C ATOM 157 NE1 TRP A 8 27.824 4.029 -1.208 1.00 0.00 N ATOM 158 CE2 TRP A 8 26.978 4.557 -0.270 1.00 0.00 C ATOM 159 CE3 TRP A 8 26.072 3.900 1.856 1.00 0.00 C ATOM 160 CZ2 TRP A 8 26.301 5.773 -0.241 1.00 0.00 C ATOM 161 CZ3 TRP A 8 25.403 5.100 1.896 1.00 0.00 C ATOM 162 CH2 TRP A 8 25.515 6.028 0.850 1.00 0.00 C ATOM 0 H TRP A 8 27.580 1.893 3.575 1.00 0.00 H new ATOM 0 HA TRP A 8 29.549 0.350 2.212 1.00 0.00 H new ATOM 0 HB2 TRP A 8 27.996 0.409 0.539 1.00 0.00 H new ATOM 0 HB3 TRP A 8 26.938 1.052 1.780 1.00 0.00 H new ATOM 0 HD1 TRP A 8 28.927 2.150 -1.304 1.00 0.00 H new ATOM 0 HE1 TRP A 8 28.099 4.477 -2.082 1.00 0.00 H new ATOM 0 HE3 TRP A 8 25.974 3.191 2.664 1.00 0.00 H new ATOM 0 HZ2 TRP A 8 26.392 6.486 -1.047 1.00 0.00 H new ATOM 0 HZ3 TRP A 8 24.780 5.332 2.747 1.00 0.00 H new ATOM 0 HH2 TRP A 8 24.972 6.960 0.907 1.00 0.00 H new ATOM 173 N PRO A 9 29.917 3.637 2.170 1.00 0.00 N ATOM 174 CA PRO A 9 30.801 4.711 1.765 1.00 0.00 C ATOM 175 C PRO A 9 32.247 4.261 1.550 1.00 0.00 C ATOM 176 O PRO A 9 32.951 4.790 0.689 1.00 0.00 O ATOM 177 CB PRO A 9 30.719 5.709 2.938 1.00 0.00 C ATOM 178 CG PRO A 9 29.683 5.156 3.868 1.00 0.00 C ATOM 179 CD PRO A 9 28.900 4.164 3.063 1.00 0.00 C ATOM 0 HA PRO A 9 30.500 5.126 0.803 1.00 0.00 H new ATOM 0 HB2 PRO A 9 31.683 5.806 3.438 1.00 0.00 H new ATOM 0 HB3 PRO A 9 30.440 6.703 2.588 1.00 0.00 H new ATOM 0 HG2 PRO A 9 30.147 4.680 4.732 1.00 0.00 H new ATOM 0 HG3 PRO A 9 29.037 5.947 4.249 1.00 0.00 H new ATOM 0 HD2 PRO A 9 28.461 3.386 3.688 1.00 0.00 H new ATOM 0 HD3 PRO A 9 28.082 4.635 2.518 1.00 0.00 H new ATOM 187 N PHE A 10 32.683 3.284 2.343 1.00 0.00 N ATOM 188 CA PHE A 10 34.044 2.767 2.247 1.00 0.00 C ATOM 189 C PHE A 10 34.185 1.768 1.100 1.00 0.00 C ATOM 190 O PHE A 10 35.193 1.766 0.392 1.00 0.00 O ATOM 191 CB PHE A 10 34.452 2.103 3.563 1.00 0.00 C ATOM 192 CG PHE A 10 34.206 2.963 4.769 1.00 0.00 C ATOM 193 CD1 PHE A 10 34.710 4.252 4.831 1.00 0.00 C ATOM 194 CD2 PHE A 10 33.468 2.483 5.839 1.00 0.00 C ATOM 195 CE1 PHE A 10 34.483 5.047 5.939 1.00 0.00 C ATOM 196 CE2 PHE A 10 33.238 3.272 6.950 1.00 0.00 C ATOM 197 CZ PHE A 10 33.746 4.556 6.999 1.00 0.00 C ATOM 0 H PHE A 10 32.112 2.835 3.059 1.00 0.00 H new ATOM 0 HA PHE A 10 34.704 3.611 2.045 1.00 0.00 H new ATOM 0 HB2 PHE A 10 33.903 1.168 3.675 1.00 0.00 H new ATOM 0 HB3 PHE A 10 35.511 1.847 3.519 1.00 0.00 H new ATOM 0 HD1 PHE A 10 35.287 4.640 4.004 1.00 0.00 H new ATOM 0 HD2 PHE A 10 33.068 1.480 5.804 1.00 0.00 H new ATOM 0 HE1 PHE A 10 34.881 6.050 5.976 1.00 0.00 H new ATOM 0 HE2 PHE A 10 32.662 2.886 7.778 1.00 0.00 H new ATOM 0 HZ PHE A 10 33.567 5.175 7.866 1.00 0.00 H new ATOM 207 N LEU A 11 33.177 0.920 0.917 1.00 0.00 N ATOM 208 CA LEU A 11 33.214 -0.079 -0.152 1.00 0.00 C ATOM 209 C LEU A 11 33.018 0.578 -1.514 1.00 0.00 C ATOM 210 O LEU A 11 32.308 1.577 -1.637 1.00 0.00 O ATOM 211 CB LEU A 11 32.146 -1.160 0.063 1.00 0.00 C ATOM 212 CG LEU A 11 30.739 -0.636 0.344 1.00 0.00 C ATOM 213 CD1 LEU A 11 30.152 0.023 -0.894 1.00 0.00 C ATOM 214 CD2 LEU A 11 29.829 -1.750 0.838 1.00 0.00 C ATOM 0 H LEU A 11 32.332 0.902 1.487 1.00 0.00 H new ATOM 0 HA LEU A 11 34.196 -0.552 -0.126 1.00 0.00 H new ATOM 0 HB2 LEU A 11 32.110 -1.794 -0.823 1.00 0.00 H new ATOM 0 HB3 LEU A 11 32.454 -1.792 0.896 1.00 0.00 H new ATOM 0 HG LEU A 11 30.813 0.114 1.131 1.00 0.00 H new ATOM 0 HD11 LEU A 11 29.150 0.389 -0.671 1.00 0.00 H new ATOM 0 HD12 LEU A 11 30.784 0.858 -1.196 1.00 0.00 H new ATOM 0 HD13 LEU A 11 30.101 -0.705 -1.704 1.00 0.00 H new ATOM 0 HD21 LEU A 11 28.834 -1.349 1.030 1.00 0.00 H new ATOM 0 HD22 LEU A 11 29.765 -2.531 0.080 1.00 0.00 H new ATOM 0 HD23 LEU A 11 30.235 -2.170 1.758 1.00 0.00 H new ATOM 226 N ARG A 12 33.653 0.014 -2.535 1.00 0.00 N ATOM 227 CA ARG A 12 33.546 0.548 -3.887 1.00 0.00 C ATOM 228 C ARG A 12 34.271 -0.349 -4.887 1.00 0.00 C ATOM 229 O ARG A 12 33.642 -1.007 -5.714 1.00 0.00 O ATOM 230 CB ARG A 12 34.114 1.968 -3.948 1.00 0.00 C ATOM 231 CG ARG A 12 33.525 2.810 -5.067 1.00 0.00 C ATOM 232 CD ARG A 12 34.467 2.896 -6.256 1.00 0.00 C ATOM 233 NE ARG A 12 34.094 1.966 -7.319 1.00 0.00 N ATOM 234 CZ ARG A 12 33.087 2.173 -8.166 1.00 0.00 C ATOM 235 NH1 ARG A 12 32.351 3.275 -8.078 1.00 0.00 N ATOM 236 NH2 ARG A 12 32.816 1.277 -9.104 1.00 0.00 N ATOM 0 H ARG A 12 34.246 -0.812 -2.452 1.00 0.00 H new ATOM 0 HA ARG A 12 32.490 0.578 -4.154 1.00 0.00 H new ATOM 0 HB2 ARG A 12 33.931 2.465 -2.995 1.00 0.00 H new ATOM 0 HB3 ARG A 12 35.195 1.913 -4.076 1.00 0.00 H new ATOM 0 HG2 ARG A 12 32.575 2.381 -5.385 1.00 0.00 H new ATOM 0 HG3 ARG A 12 33.313 3.813 -4.696 1.00 0.00 H new ATOM 0 HD2 ARG A 12 34.465 3.913 -6.647 1.00 0.00 H new ATOM 0 HD3 ARG A 12 35.484 2.683 -5.928 1.00 0.00 H new ATOM 0 HE ARG A 12 34.636 1.108 -7.418 1.00 0.00 H new ATOM 0 HH11 ARG A 12 32.555 3.969 -7.359 1.00 0.00 H new ATOM 0 HH12 ARG A 12 31.581 3.428 -8.730 1.00 0.00 H new ATOM 0 HH21 ARG A 12 33.378 0.429 -9.177 1.00 0.00 H new ATOM 0 HH22 ARG A 12 32.045 1.435 -9.753 1.00 0.00 H new ATOM 250 N ARG A 13 35.597 -0.366 -4.807 1.00 0.00 N ATOM 251 CA ARG A 13 36.405 -1.176 -5.702 1.00 0.00 C ATOM 252 C ARG A 13 36.567 -2.594 -5.163 1.00 0.00 C ATOM 253 O ARG A 13 35.795 -2.973 -4.258 1.00 0.00 O ATOM 254 CB ARG A 13 37.778 -0.532 -5.904 1.00 0.00 C ATOM 255 CG ARG A 13 37.708 0.876 -6.478 1.00 0.00 C ATOM 256 CD ARG A 13 38.276 0.936 -7.887 1.00 0.00 C ATOM 257 NE ARG A 13 37.496 1.817 -8.754 1.00 0.00 N ATOM 258 CZ ARG A 13 37.611 1.842 -10.080 1.00 0.00 C ATOM 259 NH1 ARG A 13 38.470 1.038 -10.695 1.00 0.00 N ATOM 260 NH2 ARG A 13 36.864 2.672 -10.794 1.00 0.00 N ATOM 261 OXT ARG A 13 37.464 -3.313 -5.652 1.00 0.00 O ATOM 0 H ARG A 13 36.133 0.175 -4.128 1.00 0.00 H new ATOM 0 HA ARG A 13 35.892 -1.232 -6.662 1.00 0.00 H new ATOM 0 HB2 ARG A 13 38.300 -0.501 -4.948 1.00 0.00 H new ATOM 0 HB3 ARG A 13 38.370 -1.159 -6.571 1.00 0.00 H new ATOM 0 HG2 ARG A 13 36.672 1.214 -6.488 1.00 0.00 H new ATOM 0 HG3 ARG A 13 38.260 1.560 -5.833 1.00 0.00 H new ATOM 0 HD2 ARG A 13 39.307 1.286 -7.848 1.00 0.00 H new ATOM 0 HD3 ARG A 13 38.296 -0.067 -8.313 1.00 0.00 H new ATOM 0 HE ARG A 13 36.825 2.449 -8.318 1.00 0.00 H new ATOM 0 HH11 ARG A 13 39.047 0.396 -10.151 1.00 0.00 H new ATOM 0 HH12 ARG A 13 38.553 1.062 -11.711 1.00 0.00 H new ATOM 0 HH21 ARG A 13 36.201 3.291 -10.327 1.00 0.00 H new ATOM 0 HH22 ARG A 13 36.952 2.691 -11.810 1.00 0.00 H new TER 275 ARG A 13