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+ 145:sc= -0.0309 (180deg=-0.213) USER MOD ----------------------------------------------------------------- ATOM 1 N VAL A 1 17.049 -6.788 0.230 1.00 0.00 N ATOM 2 CA VAL A 1 17.508 -5.669 -0.633 1.00 0.00 C ATOM 3 C VAL A 1 18.189 -4.582 0.195 1.00 0.00 C ATOM 4 O VAL A 1 17.736 -4.248 1.290 1.00 0.00 O ATOM 5 CB VAL A 1 16.331 -5.047 -1.412 1.00 0.00 C ATOM 6 CG1 VAL A 1 15.290 -4.485 -0.457 1.00 0.00 C ATOM 7 CG2 VAL A 1 16.828 -3.971 -2.367 1.00 0.00 C ATOM 0 H1 VAL A 1 16.158 -7.172 -0.145 1.00 0.00 H new ATOM 0 H2 VAL A 1 17.771 -7.536 0.242 1.00 0.00 H new ATOM 0 H3 VAL A 1 16.896 -6.440 1.198 1.00 0.00 H new ATOM 0 HA VAL A 1 18.225 -6.084 -1.341 1.00 0.00 H new ATOM 0 HB VAL A 1 15.859 -5.832 -2.002 1.00 0.00 H new ATOM 0 HG11 VAL A 1 14.469 -4.051 -1.028 1.00 0.00 H new ATOM 0 HG12 VAL A 1 14.908 -5.285 0.177 1.00 0.00 H new ATOM 0 HG13 VAL A 1 15.745 -3.715 0.166 1.00 0.00 H new ATOM 0 HG21 VAL A 1 15.982 -3.545 -2.907 1.00 0.00 H new ATOM 0 HG22 VAL A 1 17.330 -3.186 -1.801 1.00 0.00 H new ATOM 0 HG23 VAL A 1 17.528 -4.410 -3.078 1.00 0.00 H new ATOM 19 N ARG A 2 19.277 -4.035 -0.335 1.00 0.00 N ATOM 20 CA ARG A 2 20.020 -2.987 0.355 1.00 0.00 C ATOM 21 C ARG A 2 19.617 -1.609 -0.155 1.00 0.00 C ATOM 22 O ARG A 2 18.729 -1.483 -0.998 1.00 0.00 O ATOM 23 CB ARG A 2 21.525 -3.193 0.172 1.00 0.00 C ATOM 24 CG ARG A 2 22.100 -4.285 1.063 1.00 0.00 C ATOM 25 CD ARG A 2 22.790 -5.369 0.249 1.00 0.00 C ATOM 26 NE ARG A 2 22.481 -6.707 0.748 1.00 0.00 N ATOM 27 CZ ARG A 2 22.729 -7.826 0.070 1.00 0.00 C ATOM 28 NH1 ARG A 2 23.290 -7.771 -1.132 1.00 0.00 N ATOM 29 NH2 ARG A 2 22.417 -9.002 0.596 1.00 0.00 N ATOM 0 H ARG A 2 19.664 -4.300 -1.241 1.00 0.00 H new ATOM 0 HA ARG A 2 19.780 -3.046 1.417 1.00 0.00 H new ATOM 0 HB2 ARG A 2 21.726 -3.442 -0.870 1.00 0.00 H new ATOM 0 HB3 ARG A 2 22.040 -2.255 0.381 1.00 0.00 H new ATOM 0 HG2 ARG A 2 22.812 -3.847 1.763 1.00 0.00 H new ATOM 0 HG3 ARG A 2 21.301 -4.729 1.657 1.00 0.00 H new ATOM 0 HD2 ARG A 2 22.482 -5.291 -0.794 1.00 0.00 H new ATOM 0 HD3 ARG A 2 23.868 -5.212 0.276 1.00 0.00 H new ATOM 0 HE ARG A 2 22.050 -6.789 1.669 1.00 0.00 H new ATOM 0 HH11 ARG A 2 23.533 -6.869 -1.540 1.00 0.00 H new ATOM 0 HH12 ARG A 2 23.478 -8.631 -1.647 1.00 0.00 H new ATOM 0 HH21 ARG A 2 21.987 -9.050 1.520 1.00 0.00 H new ATOM 0 HH22 ARG A 2 22.607 -9.859 0.077 1.00 0.00 H new ATOM 43 N ARG A 3 20.269 -0.579 0.370 1.00 0.00 N ATOM 44 CA ARG A 3 19.972 0.789 -0.024 1.00 0.00 C ATOM 45 C ARG A 3 21.253 1.603 -0.185 1.00 0.00 C ATOM 46 O ARG A 3 21.507 2.537 0.576 1.00 0.00 O ATOM 47 CB ARG A 3 19.058 1.440 1.015 1.00 0.00 C ATOM 48 CG ARG A 3 18.339 2.678 0.503 1.00 0.00 C ATOM 49 CD ARG A 3 16.912 2.363 0.082 1.00 0.00 C ATOM 50 NE ARG A 3 16.757 2.362 -1.371 1.00 0.00 N ATOM 51 CZ ARG A 3 15.665 1.933 -2.000 1.00 0.00 C ATOM 52 NH1 ARG A 3 14.631 1.470 -1.309 1.00 0.00 N ATOM 53 NH2 ARG A 3 15.607 1.968 -3.324 1.00 0.00 N ATOM 0 H ARG A 3 21.006 -0.667 1.069 1.00 0.00 H new ATOM 0 HA ARG A 3 19.463 0.768 -0.988 1.00 0.00 H new ATOM 0 HB2 ARG A 3 18.318 0.710 1.344 1.00 0.00 H new ATOM 0 HB3 ARG A 3 19.650 1.710 1.889 1.00 0.00 H new ATOM 0 HG2 ARG A 3 18.329 3.442 1.281 1.00 0.00 H new ATOM 0 HG3 ARG A 3 18.886 3.093 -0.344 1.00 0.00 H new ATOM 0 HD2 ARG A 3 16.624 1.389 0.478 1.00 0.00 H new ATOM 0 HD3 ARG A 3 16.235 3.097 0.518 1.00 0.00 H new ATOM 0 HE ARG A 3 17.531 2.710 -1.937 1.00 0.00 H new ATOM 0 HH11 ARG A 3 14.670 1.441 -0.290 1.00 0.00 H new ATOM 0 HH12 ARG A 3 13.797 1.143 -1.797 1.00 0.00 H new ATOM 0 HH21 ARG A 3 16.399 2.323 -3.860 1.00 0.00 H new ATOM 0 HH22 ARG A 3 14.771 1.639 -3.807 1.00 0.00 H new ATOM 67 N PHE A 4 22.053 1.236 -1.186 1.00 0.00 N ATOM 68 CA PHE A 4 23.308 1.899 -1.480 1.00 0.00 C ATOM 69 C PHE A 4 23.249 3.404 -1.223 1.00 0.00 C ATOM 70 O PHE A 4 22.798 4.179 -2.066 1.00 0.00 O ATOM 71 CB PHE A 4 23.675 1.620 -2.934 1.00 0.00 C ATOM 72 CG PHE A 4 22.892 2.434 -3.929 1.00 0.00 C ATOM 73 CD1 PHE A 4 21.530 2.236 -4.083 1.00 0.00 C ATOM 74 CD2 PHE A 4 23.519 3.395 -4.707 1.00 0.00 C ATOM 75 CE1 PHE A 4 20.807 2.980 -4.995 1.00 0.00 C ATOM 76 CE2 PHE A 4 22.800 4.141 -5.622 1.00 0.00 C ATOM 77 CZ PHE A 4 21.443 3.933 -5.767 1.00 0.00 C ATOM 0 H PHE A 4 21.840 0.463 -1.816 1.00 0.00 H new ATOM 0 HA PHE A 4 24.071 1.503 -0.810 1.00 0.00 H new ATOM 0 HB2 PHE A 4 24.738 1.817 -3.074 1.00 0.00 H new ATOM 0 HB3 PHE A 4 23.517 0.562 -3.141 1.00 0.00 H new ATOM 0 HD1 PHE A 4 21.028 1.492 -3.483 1.00 0.00 H new ATOM 0 HD2 PHE A 4 24.580 3.563 -4.597 1.00 0.00 H new ATOM 0 HE1 PHE A 4 19.745 2.817 -5.105 1.00 0.00 H new ATOM 0 HE2 PHE A 4 23.300 4.886 -6.223 1.00 0.00 H new ATOM 0 HZ PHE A 4 20.880 4.514 -6.482 1.00 0.00 H new ATOM 87 N PRO A 5 23.716 3.837 -0.048 1.00 0.00 N ATOM 88 CA PRO A 5 23.727 5.253 0.310 1.00 0.00 C ATOM 89 C PRO A 5 24.708 6.041 -0.555 1.00 0.00 C ATOM 90 O PRO A 5 24.956 5.683 -1.706 1.00 0.00 O ATOM 91 CB PRO A 5 24.154 5.234 1.785 1.00 0.00 C ATOM 92 CG PRO A 5 24.926 3.974 1.944 1.00 0.00 C ATOM 93 CD PRO A 5 24.279 2.985 1.017 1.00 0.00 C ATOM 0 HA PRO A 5 22.766 5.743 0.153 1.00 0.00 H new ATOM 0 HB2 PRO A 5 24.763 6.104 2.031 1.00 0.00 H new ATOM 0 HB3 PRO A 5 23.288 5.253 2.447 1.00 0.00 H new ATOM 0 HG2 PRO A 5 25.975 4.122 1.689 1.00 0.00 H new ATOM 0 HG3 PRO A 5 24.895 3.623 2.975 1.00 0.00 H new ATOM 0 HD2 PRO A 5 25.002 2.272 0.622 1.00 0.00 H new ATOM 0 HD3 PRO A 5 23.505 2.407 1.522 1.00 0.00 H new ATOM 101 N TRP A 6 25.275 7.096 0.006 1.00 0.00 N ATOM 102 CA TRP A 6 26.249 7.914 -0.700 1.00 0.00 C ATOM 103 C TRP A 6 27.563 7.879 0.063 1.00 0.00 C ATOM 104 O TRP A 6 28.472 8.670 -0.186 1.00 0.00 O ATOM 105 CB TRP A 6 25.754 9.360 -0.856 1.00 0.00 C ATOM 106 CG TRP A 6 24.981 9.879 0.323 1.00 0.00 C ATOM 107 CD1 TRP A 6 23.907 9.290 0.927 1.00 0.00 C ATOM 108 CD2 TRP A 6 25.217 11.103 1.029 1.00 0.00 C ATOM 109 NE1 TRP A 6 23.467 10.068 1.970 1.00 0.00 N ATOM 110 CE2 TRP A 6 24.254 11.188 2.052 1.00 0.00 C ATOM 111 CE3 TRP A 6 26.152 12.134 0.897 1.00 0.00 C ATOM 112 CZ2 TRP A 6 24.199 12.262 2.936 1.00 0.00 C ATOM 113 CZ3 TRP A 6 26.096 13.200 1.774 1.00 0.00 C ATOM 114 CH2 TRP A 6 25.126 13.257 2.783 1.00 0.00 C ATOM 0 H TRP A 6 25.076 7.409 0.956 1.00 0.00 H new ATOM 0 HA TRP A 6 26.393 7.511 -1.703 1.00 0.00 H new ATOM 0 HB2 TRP A 6 26.613 10.009 -1.027 1.00 0.00 H new ATOM 0 HB3 TRP A 6 25.125 9.423 -1.744 1.00 0.00 H new ATOM 0 HD1 TRP A 6 23.468 8.350 0.628 1.00 0.00 H new ATOM 0 HE1 TRP A 6 22.682 9.848 2.584 1.00 0.00 H new ATOM 0 HE3 TRP A 6 26.905 12.098 0.123 1.00 0.00 H new ATOM 0 HZ2 TRP A 6 23.452 12.308 3.714 1.00 0.00 H new ATOM 0 HZ3 TRP A 6 26.812 14.003 1.680 1.00 0.00 H new ATOM 0 HH2 TRP A 6 25.109 14.103 3.454 1.00 0.00 H new ATOM 125 N TRP A 7 27.638 6.943 1.006 1.00 0.00 N ATOM 126 CA TRP A 7 28.812 6.767 1.838 1.00 0.00 C ATOM 127 C TRP A 7 29.206 5.288 1.924 1.00 0.00 C ATOM 128 O TRP A 7 30.162 4.933 2.613 1.00 0.00 O ATOM 129 CB TRP A 7 28.529 7.324 3.232 1.00 0.00 C ATOM 130 CG TRP A 7 27.441 6.590 3.953 1.00 0.00 C ATOM 131 CD1 TRP A 7 26.112 6.905 3.967 1.00 0.00 C ATOM 132 CD2 TRP A 7 27.585 5.418 4.763 1.00 0.00 C ATOM 133 NE1 TRP A 7 25.421 6.000 4.734 1.00 0.00 N ATOM 134 CE2 TRP A 7 26.302 5.078 5.234 1.00 0.00 C ATOM 135 CE3 TRP A 7 28.672 4.624 5.135 1.00 0.00 C ATOM 136 CZ2 TRP A 7 26.080 3.977 6.057 1.00 0.00 C ATOM 137 CZ3 TRP A 7 28.449 3.531 5.952 1.00 0.00 C ATOM 138 CH2 TRP A 7 27.162 3.216 6.405 1.00 0.00 C ATOM 0 H TRP A 7 26.883 6.288 1.210 1.00 0.00 H new ATOM 0 HA TRP A 7 29.646 7.308 1.392 1.00 0.00 H new ATOM 0 HB2 TRP A 7 29.442 7.281 3.825 1.00 0.00 H new ATOM 0 HB3 TRP A 7 28.254 8.375 3.147 1.00 0.00 H new ATOM 0 HD1 TRP A 7 25.669 7.744 3.450 1.00 0.00 H new ATOM 0 HE1 TRP A 7 24.415 6.012 4.904 1.00 0.00 H new ATOM 0 HE3 TRP A 7 29.668 4.859 4.791 1.00 0.00 H new ATOM 0 HZ2 TRP A 7 25.088 3.733 6.408 1.00 0.00 H new ATOM 0 HZ3 TRP A 7 29.282 2.909 6.246 1.00 0.00 H new ATOM 0 HH2 TRP A 7 27.021 2.355 7.042 1.00 0.00 H new ATOM 149 N TRP A 8 28.467 4.428 1.212 1.00 0.00 N ATOM 150 CA TRP A 8 28.744 3.007 1.201 1.00 0.00 C ATOM 151 C TRP A 8 30.033 2.678 0.434 1.00 0.00 C ATOM 152 O TRP A 8 30.709 1.708 0.757 1.00 0.00 O ATOM 153 CB TRP A 8 27.560 2.260 0.582 1.00 0.00 C ATOM 154 CG TRP A 8 27.796 1.833 -0.829 1.00 0.00 C ATOM 155 CD1 TRP A 8 28.379 0.688 -1.253 1.00 0.00 C ATOM 156 CD2 TRP A 8 27.465 2.569 -1.993 1.00 0.00 C ATOM 157 NE1 TRP A 8 28.408 0.649 -2.628 1.00 0.00 N ATOM 158 CE2 TRP A 8 27.850 1.805 -3.105 1.00 0.00 C ATOM 159 CE3 TRP A 8 26.872 3.801 -2.190 1.00 0.00 C ATOM 160 CZ2 TRP A 8 27.651 2.245 -4.410 1.00 0.00 C ATOM 161 CZ3 TRP A 8 26.676 4.246 -3.475 1.00 0.00 C ATOM 162 CH2 TRP A 8 27.061 3.470 -4.577 1.00 0.00 C ATOM 0 H TRP A 8 27.671 4.705 0.637 1.00 0.00 H new ATOM 0 HA TRP A 8 28.888 2.686 2.232 1.00 0.00 H new ATOM 0 HB2 TRP A 8 27.339 1.381 1.187 1.00 0.00 H new ATOM 0 HB3 TRP A 8 26.679 2.900 0.617 1.00 0.00 H new ATOM 0 HD1 TRP A 8 28.766 -0.085 -0.605 1.00 0.00 H new ATOM 0 HE1 TRP A 8 28.782 -0.112 -3.196 1.00 0.00 H new ATOM 0 HE3 TRP A 8 26.567 4.405 -1.348 1.00 0.00 H new ATOM 0 HZ2 TRP A 8 27.950 1.645 -5.257 1.00 0.00 H new ATOM 0 HZ3 TRP A 8 26.218 5.210 -3.639 1.00 0.00 H new ATOM 0 HH2 TRP A 8 26.889 3.844 -5.575 1.00 0.00 H new ATOM 173 N PRO A 9 30.380 3.446 -0.620 1.00 0.00 N ATOM 174 CA PRO A 9 31.559 3.198 -1.428 1.00 0.00 C ATOM 175 C PRO A 9 32.754 2.655 -0.635 1.00 0.00 C ATOM 176 O PRO A 9 33.569 1.901 -1.166 1.00 0.00 O ATOM 177 CB PRO A 9 31.892 4.584 -2.014 1.00 0.00 C ATOM 178 CG PRO A 9 30.791 5.493 -1.561 1.00 0.00 C ATOM 179 CD PRO A 9 29.663 4.592 -1.163 1.00 0.00 C ATOM 0 HA PRO A 9 31.363 2.428 -2.174 1.00 0.00 H new ATOM 0 HB2 PRO A 9 32.861 4.936 -1.659 1.00 0.00 H new ATOM 0 HB3 PRO A 9 31.945 4.546 -3.102 1.00 0.00 H new ATOM 0 HG2 PRO A 9 31.113 6.111 -0.723 1.00 0.00 H new ATOM 0 HG3 PRO A 9 30.489 6.170 -2.359 1.00 0.00 H new ATOM 0 HD2 PRO A 9 29.010 5.055 -0.423 1.00 0.00 H new ATOM 0 HD3 PRO A 9 29.038 4.319 -2.013 1.00 0.00 H new ATOM 187 N PHE A 10 32.866 3.064 0.630 1.00 0.00 N ATOM 188 CA PHE A 10 33.977 2.639 1.482 1.00 0.00 C ATOM 189 C PHE A 10 33.707 1.299 2.170 1.00 0.00 C ATOM 190 O PHE A 10 34.642 0.600 2.562 1.00 0.00 O ATOM 191 CB PHE A 10 34.269 3.710 2.534 1.00 0.00 C ATOM 192 CG PHE A 10 34.393 5.093 1.960 1.00 0.00 C ATOM 193 CD1 PHE A 10 33.276 5.899 1.811 1.00 0.00 C ATOM 194 CD2 PHE A 10 35.627 5.586 1.568 1.00 0.00 C ATOM 195 CE1 PHE A 10 33.386 7.171 1.281 1.00 0.00 C ATOM 196 CE2 PHE A 10 35.744 6.857 1.037 1.00 0.00 C ATOM 197 CZ PHE A 10 34.623 7.651 0.894 1.00 0.00 C ATOM 0 H PHE A 10 32.201 3.689 1.086 1.00 0.00 H new ATOM 0 HA PHE A 10 34.844 2.505 0.836 1.00 0.00 H new ATOM 0 HB2 PHE A 10 33.473 3.704 3.279 1.00 0.00 H new ATOM 0 HB3 PHE A 10 35.193 3.456 3.053 1.00 0.00 H new ATOM 0 HD1 PHE A 10 32.307 5.529 2.113 1.00 0.00 H new ATOM 0 HD2 PHE A 10 36.507 4.970 1.679 1.00 0.00 H new ATOM 0 HE1 PHE A 10 32.507 7.789 1.170 1.00 0.00 H new ATOM 0 HE2 PHE A 10 36.712 7.229 0.734 1.00 0.00 H new ATOM 0 HZ PHE A 10 34.713 8.645 0.481 1.00 0.00 H new ATOM 207 N LEU A 11 32.435 0.940 2.319 1.00 0.00 N ATOM 208 CA LEU A 11 32.072 -0.325 2.967 1.00 0.00 C ATOM 209 C LEU A 11 31.983 -1.466 1.955 1.00 0.00 C ATOM 210 O LEU A 11 31.255 -2.436 2.168 1.00 0.00 O ATOM 211 CB LEU A 11 30.739 -0.192 3.714 1.00 0.00 C ATOM 212 CG LEU A 11 29.604 0.434 2.903 1.00 0.00 C ATOM 213 CD1 LEU A 11 29.232 -0.454 1.725 1.00 0.00 C ATOM 214 CD2 LEU A 11 28.386 0.696 3.777 1.00 0.00 C ATOM 0 H LEU A 11 31.642 1.499 2.004 1.00 0.00 H new ATOM 0 HA LEU A 11 32.860 -0.559 3.682 1.00 0.00 H new ATOM 0 HB2 LEU A 11 30.425 -1.182 4.046 1.00 0.00 H new ATOM 0 HB3 LEU A 11 30.900 0.408 4.609 1.00 0.00 H new ATOM 0 HG LEU A 11 29.957 1.391 2.518 1.00 0.00 H new ATOM 0 HD11 LEU A 11 28.423 0.010 1.161 1.00 0.00 H new ATOM 0 HD12 LEU A 11 30.099 -0.581 1.077 1.00 0.00 H new ATOM 0 HD13 LEU A 11 28.907 -1.428 2.092 1.00 0.00 H new ATOM 0 HD21 LEU A 11 27.595 1.141 3.174 1.00 0.00 H new ATOM 0 HD22 LEU A 11 28.034 -0.244 4.201 1.00 0.00 H new ATOM 0 HD23 LEU A 11 28.656 1.379 4.583 1.00 0.00 H new ATOM 226 N ARG A 12 32.725 -1.351 0.857 1.00 0.00 N ATOM 227 CA ARG A 12 32.719 -2.382 -0.174 1.00 0.00 C ATOM 228 C ARG A 12 34.123 -2.603 -0.727 1.00 0.00 C ATOM 229 O ARG A 12 35.030 -1.806 -0.484 1.00 0.00 O ATOM 230 CB ARG A 12 31.767 -2.000 -1.308 1.00 0.00 C ATOM 231 CG ARG A 12 32.169 -0.732 -2.043 1.00 0.00 C ATOM 232 CD ARG A 12 32.022 -0.885 -3.550 1.00 0.00 C ATOM 233 NE ARG A 12 33.317 -0.935 -4.224 1.00 0.00 N ATOM 234 CZ ARG A 12 33.498 -1.422 -5.450 1.00 0.00 C ATOM 235 NH1 ARG A 12 32.470 -1.900 -6.141 1.00 0.00 N ATOM 236 NH2 ARG A 12 34.709 -1.429 -5.988 1.00 0.00 N ATOM 0 H ARG A 12 33.335 -0.558 0.660 1.00 0.00 H new ATOM 0 HA ARG A 12 32.373 -3.311 0.280 1.00 0.00 H new ATOM 0 HB2 ARG A 12 31.718 -2.823 -2.021 1.00 0.00 H new ATOM 0 HB3 ARG A 12 30.764 -1.871 -0.901 1.00 0.00 H new ATOM 0 HG2 ARG A 12 31.553 0.099 -1.700 1.00 0.00 H new ATOM 0 HG3 ARG A 12 33.202 -0.483 -1.801 1.00 0.00 H new ATOM 0 HD2 ARG A 12 31.464 -1.795 -3.769 1.00 0.00 H new ATOM 0 HD3 ARG A 12 31.440 -0.052 -3.944 1.00 0.00 H new ATOM 0 HE ARG A 12 34.131 -0.575 -3.726 1.00 0.00 H new ATOM 0 HH11 ARG A 12 31.535 -1.896 -5.733 1.00 0.00 H new ATOM 0 HH12 ARG A 12 32.615 -2.272 -7.080 1.00 0.00 H new ATOM 0 HH21 ARG A 12 35.502 -1.061 -5.463 1.00 0.00 H new ATOM 0 HH22 ARG A 12 34.848 -1.802 -6.927 1.00 0.00 H new ATOM 250 N ARG A 13 34.295 -3.692 -1.471 1.00 0.00 N ATOM 251 CA ARG A 13 35.584 -4.020 -2.056 1.00 0.00 C ATOM 252 C ARG A 13 35.409 -4.811 -3.349 1.00 0.00 C ATOM 253 O ARG A 13 34.616 -5.777 -3.349 1.00 0.00 O ATOM 254 CB ARG A 13 36.430 -4.820 -1.065 1.00 0.00 C ATOM 255 CG ARG A 13 37.135 -3.958 -0.031 1.00 0.00 C ATOM 256 CD ARG A 13 38.246 -3.130 -0.658 1.00 0.00 C ATOM 257 NE ARG A 13 39.366 -3.958 -1.097 1.00 0.00 N ATOM 258 CZ ARG A 13 40.591 -3.489 -1.326 1.00 0.00 C ATOM 259 NH1 ARG A 13 40.854 -2.197 -1.167 1.00 0.00 N ATOM 260 NH2 ARG A 13 41.554 -4.311 -1.717 1.00 0.00 N ATOM 261 OXT ARG A 13 36.064 -4.457 -4.352 1.00 0.00 O ATOM 0 H ARG A 13 33.554 -4.361 -1.681 1.00 0.00 H new ATOM 0 HA ARG A 13 36.097 -3.087 -2.289 1.00 0.00 H new ATOM 0 HB2 ARG A 13 35.791 -5.538 -0.552 1.00 0.00 H new ATOM 0 HB3 ARG A 13 37.175 -5.393 -1.616 1.00 0.00 H new ATOM 0 HG2 ARG A 13 36.412 -3.296 0.446 1.00 0.00 H new ATOM 0 HG3 ARG A 13 37.551 -4.593 0.751 1.00 0.00 H new ATOM 0 HD2 ARG A 13 37.849 -2.577 -1.509 1.00 0.00 H new ATOM 0 HD3 ARG A 13 38.601 -2.394 0.064 1.00 0.00 H new ATOM 0 HE ARG A 13 39.200 -4.955 -1.236 1.00 0.00 H new ATOM 0 HH11 ARG A 13 40.116 -1.559 -0.868 1.00 0.00 H new ATOM 0 HH12 ARG A 13 41.794 -1.842 -1.344 1.00 0.00 H new ATOM 0 HH21 ARG A 13 41.357 -5.304 -1.843 1.00 0.00 H new ATOM 0 HH22 ARG A 13 42.492 -3.951 -1.892 1.00 0.00 H new TER 275 ARG A 13