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+ -153:sc= -0.116 (180deg=-0.592) USER MOD ----------------------------------------------------------------- ATOM 1 N VAL A 1 15.652 -3.658 4.237 1.00 0.00 N ATOM 2 CA VAL A 1 16.675 -3.841 3.175 1.00 0.00 C ATOM 3 C VAL A 1 17.646 -2.666 3.139 1.00 0.00 C ATOM 4 O VAL A 1 17.266 -1.527 3.407 1.00 0.00 O ATOM 5 CB VAL A 1 16.021 -3.988 1.788 1.00 0.00 C ATOM 6 CG1 VAL A 1 17.055 -4.398 0.750 1.00 0.00 C ATOM 7 CG2 VAL A 1 14.879 -4.991 1.840 1.00 0.00 C ATOM 0 H1 VAL A 1 15.313 -4.588 4.557 1.00 0.00 H new ATOM 0 H2 VAL A 1 16.073 -3.148 5.040 1.00 0.00 H new ATOM 0 H3 VAL A 1 14.853 -3.110 3.859 1.00 0.00 H new ATOM 0 HA VAL A 1 17.220 -4.754 3.414 1.00 0.00 H new ATOM 0 HB VAL A 1 15.611 -3.021 1.495 1.00 0.00 H new ATOM 0 HG11 VAL A 1 16.574 -4.497 -0.223 1.00 0.00 H new ATOM 0 HG12 VAL A 1 17.835 -3.639 0.694 1.00 0.00 H new ATOM 0 HG13 VAL A 1 17.498 -5.353 1.035 1.00 0.00 H new ATOM 0 HG21 VAL A 1 14.429 -5.082 0.851 1.00 0.00 H new ATOM 0 HG22 VAL A 1 15.261 -5.962 2.155 1.00 0.00 H new ATOM 0 HG23 VAL A 1 14.127 -4.649 2.551 1.00 0.00 H new ATOM 19 N ARG A 2 18.900 -2.952 2.808 1.00 0.00 N ATOM 20 CA ARG A 2 19.926 -1.920 2.737 1.00 0.00 C ATOM 21 C ARG A 2 19.556 -0.857 1.708 1.00 0.00 C ATOM 22 O ARG A 2 18.511 -0.939 1.063 1.00 0.00 O ATOM 23 CB ARG A 2 21.280 -2.539 2.384 1.00 0.00 C ATOM 24 CG ARG A 2 22.117 -2.903 3.600 1.00 0.00 C ATOM 25 CD ARG A 2 22.762 -4.272 3.445 1.00 0.00 C ATOM 26 NE ARG A 2 24.063 -4.343 4.109 1.00 0.00 N ATOM 27 CZ ARG A 2 24.222 -4.323 5.430 1.00 0.00 C ATOM 28 NH1 ARG A 2 23.170 -4.234 6.232 1.00 0.00 N ATOM 29 NH2 ARG A 2 25.440 -4.395 5.951 1.00 0.00 N ATOM 0 H ARG A 2 19.230 -3.891 2.585 1.00 0.00 H new ATOM 0 HA ARG A 2 19.997 -1.445 3.716 1.00 0.00 H new ATOM 0 HB2 ARG A 2 21.116 -3.435 1.785 1.00 0.00 H new ATOM 0 HB3 ARG A 2 21.840 -1.839 1.764 1.00 0.00 H new ATOM 0 HG2 ARG A 2 22.891 -2.150 3.749 1.00 0.00 H new ATOM 0 HG3 ARG A 2 21.489 -2.895 4.491 1.00 0.00 H new ATOM 0 HD2 ARG A 2 22.101 -5.033 3.860 1.00 0.00 H new ATOM 0 HD3 ARG A 2 22.883 -4.498 2.386 1.00 0.00 H new ATOM 0 HE ARG A 2 24.897 -4.412 3.526 1.00 0.00 H new ATOM 0 HH11 ARG A 2 22.231 -4.180 5.837 1.00 0.00 H new ATOM 0 HH12 ARG A 2 23.300 -4.219 7.244 1.00 0.00 H new ATOM 0 HH21 ARG A 2 26.253 -4.466 5.339 1.00 0.00 H new ATOM 0 HH22 ARG A 2 25.563 -4.380 6.963 1.00 0.00 H new ATOM 43 N ARG A 3 20.420 0.141 1.564 1.00 0.00 N ATOM 44 CA ARG A 3 20.186 1.223 0.617 1.00 0.00 C ATOM 45 C ARG A 3 21.480 1.614 -0.090 1.00 0.00 C ATOM 46 O ARG A 3 21.866 2.783 -0.093 1.00 0.00 O ATOM 47 CB ARG A 3 19.591 2.432 1.338 1.00 0.00 C ATOM 48 CG ARG A 3 19.133 3.537 0.399 1.00 0.00 C ATOM 49 CD ARG A 3 19.824 4.856 0.707 1.00 0.00 C ATOM 50 NE ARG A 3 19.414 5.918 -0.209 1.00 0.00 N ATOM 51 CZ ARG A 3 20.038 7.088 -0.314 1.00 0.00 C ATOM 52 NH1 ARG A 3 21.100 7.352 0.436 1.00 0.00 N ATOM 53 NH2 ARG A 3 19.599 7.999 -1.172 1.00 0.00 N ATOM 0 H ARG A 3 21.289 0.223 2.092 1.00 0.00 H new ATOM 0 HA ARG A 3 19.478 0.875 -0.135 1.00 0.00 H new ATOM 0 HB2 ARG A 3 18.744 2.104 1.940 1.00 0.00 H new ATOM 0 HB3 ARG A 3 20.334 2.836 2.026 1.00 0.00 H new ATOM 0 HG2 ARG A 3 19.341 3.249 -0.631 1.00 0.00 H new ATOM 0 HG3 ARG A 3 18.054 3.663 0.483 1.00 0.00 H new ATOM 0 HD2 ARG A 3 19.597 5.153 1.731 1.00 0.00 H new ATOM 0 HD3 ARG A 3 20.904 4.722 0.646 1.00 0.00 H new ATOM 0 HE ARG A 3 18.601 5.752 -0.803 1.00 0.00 H new ATOM 0 HH11 ARG A 3 21.443 6.656 1.098 1.00 0.00 H new ATOM 0 HH12 ARG A 3 21.574 8.251 0.351 1.00 0.00 H new ATOM 0 HH21 ARG A 3 18.783 7.802 -1.751 1.00 0.00 H new ATOM 0 HH22 ARG A 3 20.077 8.896 -1.252 1.00 0.00 H new ATOM 67 N PHE A 4 22.145 0.621 -0.682 1.00 0.00 N ATOM 68 CA PHE A 4 23.394 0.817 -1.392 1.00 0.00 C ATOM 69 C PHE A 4 23.451 2.161 -2.119 1.00 0.00 C ATOM 70 O PHE A 4 22.967 2.302 -3.242 1.00 0.00 O ATOM 71 CB PHE A 4 23.586 -0.336 -2.375 1.00 0.00 C ATOM 72 CG PHE A 4 22.820 -0.181 -3.662 1.00 0.00 C ATOM 73 CD1 PHE A 4 21.436 -0.180 -3.664 1.00 0.00 C ATOM 74 CD2 PHE A 4 23.488 -0.035 -4.868 1.00 0.00 C ATOM 75 CE1 PHE A 4 20.729 -0.037 -4.842 1.00 0.00 C ATOM 76 CE2 PHE A 4 22.787 0.108 -6.051 1.00 0.00 C ATOM 77 CZ PHE A 4 21.406 0.107 -6.038 1.00 0.00 C ATOM 0 H PHE A 4 21.823 -0.347 -0.678 1.00 0.00 H new ATOM 0 HA PHE A 4 24.204 0.830 -0.662 1.00 0.00 H new ATOM 0 HB2 PHE A 4 24.647 -0.430 -2.605 1.00 0.00 H new ATOM 0 HB3 PHE A 4 23.281 -1.265 -1.893 1.00 0.00 H new ATOM 0 HD1 PHE A 4 20.902 -0.293 -2.732 1.00 0.00 H new ATOM 0 HD2 PHE A 4 24.568 -0.033 -4.884 1.00 0.00 H new ATOM 0 HE1 PHE A 4 19.649 -0.038 -4.828 1.00 0.00 H new ATOM 0 HE2 PHE A 4 23.319 0.220 -6.984 1.00 0.00 H new ATOM 0 HZ PHE A 4 20.856 0.219 -6.961 1.00 0.00 H new ATOM 87 N PRO A 5 24.056 3.170 -1.483 1.00 0.00 N ATOM 88 CA PRO A 5 24.189 4.498 -2.076 1.00 0.00 C ATOM 89 C PRO A 5 25.151 4.486 -3.262 1.00 0.00 C ATOM 90 O PRO A 5 25.280 3.478 -3.955 1.00 0.00 O ATOM 91 CB PRO A 5 24.725 5.342 -0.914 1.00 0.00 C ATOM 92 CG PRO A 5 25.439 4.377 -0.039 1.00 0.00 C ATOM 93 CD PRO A 5 24.668 3.092 -0.142 1.00 0.00 C ATOM 0 HA PRO A 5 23.254 4.884 -2.484 1.00 0.00 H new ATOM 0 HB2 PRO A 5 25.396 6.124 -1.270 1.00 0.00 H new ATOM 0 HB3 PRO A 5 23.915 5.837 -0.378 1.00 0.00 H new ATOM 0 HG2 PRO A 5 26.471 4.242 -0.364 1.00 0.00 H new ATOM 0 HG3 PRO A 5 25.473 4.732 0.991 1.00 0.00 H new ATOM 0 HD2 PRO A 5 25.319 2.223 -0.047 1.00 0.00 H new ATOM 0 HD3 PRO A 5 23.913 3.012 0.641 1.00 0.00 H new ATOM 101 N TRP A 6 25.833 5.599 -3.480 1.00 0.00 N ATOM 102 CA TRP A 6 26.801 5.709 -4.559 1.00 0.00 C ATOM 103 C TRP A 6 28.169 6.011 -3.966 1.00 0.00 C ATOM 104 O TRP A 6 29.109 6.374 -4.673 1.00 0.00 O ATOM 105 CB TRP A 6 26.397 6.801 -5.560 1.00 0.00 C ATOM 106 CG TRP A 6 25.784 8.017 -4.929 1.00 0.00 C ATOM 107 CD1 TRP A 6 24.726 8.051 -4.065 1.00 0.00 C ATOM 108 CD2 TRP A 6 26.185 9.378 -5.125 1.00 0.00 C ATOM 109 NE1 TRP A 6 24.451 9.348 -3.705 1.00 0.00 N ATOM 110 CE2 TRP A 6 25.331 10.182 -4.344 1.00 0.00 C ATOM 111 CE3 TRP A 6 27.185 9.995 -5.880 1.00 0.00 C ATOM 112 CZ2 TRP A 6 25.449 11.569 -4.300 1.00 0.00 C ATOM 113 CZ3 TRP A 6 27.300 11.373 -5.837 1.00 0.00 C ATOM 114 CH2 TRP A 6 26.436 12.146 -5.052 1.00 0.00 C ATOM 0 H TRP A 6 25.733 6.445 -2.919 1.00 0.00 H new ATOM 0 HA TRP A 6 26.835 4.765 -5.103 1.00 0.00 H new ATOM 0 HB2 TRP A 6 27.278 7.104 -6.126 1.00 0.00 H new ATOM 0 HB3 TRP A 6 25.689 6.380 -6.274 1.00 0.00 H new ATOM 0 HD1 TRP A 6 24.185 7.184 -3.716 1.00 0.00 H new ATOM 0 HE1 TRP A 6 23.712 9.642 -3.066 1.00 0.00 H new ATOM 0 HE3 TRP A 6 27.857 9.406 -6.487 1.00 0.00 H new ATOM 0 HZ2 TRP A 6 24.785 12.168 -3.694 1.00 0.00 H new ATOM 0 HZ3 TRP A 6 28.069 11.860 -6.418 1.00 0.00 H new ATOM 0 HH2 TRP A 6 26.551 13.220 -5.040 1.00 0.00 H new ATOM 125 N TRP A 7 28.255 5.857 -2.647 1.00 0.00 N ATOM 126 CA TRP A 7 29.479 6.106 -1.914 1.00 0.00 C ATOM 127 C TRP A 7 29.778 4.962 -0.941 1.00 0.00 C ATOM 128 O TRP A 7 30.758 5.011 -0.197 1.00 0.00 O ATOM 129 CB TRP A 7 29.355 7.428 -1.158 1.00 0.00 C ATOM 130 CG TRP A 7 28.275 7.414 -0.119 1.00 0.00 C ATOM 131 CD1 TRP A 7 26.978 7.811 -0.282 1.00 0.00 C ATOM 132 CD2 TRP A 7 28.395 6.979 1.240 1.00 0.00 C ATOM 133 NE1 TRP A 7 26.286 7.650 0.893 1.00 0.00 N ATOM 134 CE2 TRP A 7 27.133 7.141 1.842 1.00 0.00 C ATOM 135 CE3 TRP A 7 29.447 6.468 2.007 1.00 0.00 C ATOM 136 CZ2 TRP A 7 26.895 6.810 3.173 1.00 0.00 C ATOM 137 CZ3 TRP A 7 29.209 6.140 3.329 1.00 0.00 C ATOM 138 CH2 TRP A 7 27.941 6.312 3.899 1.00 0.00 C ATOM 0 H TRP A 7 27.475 5.556 -2.063 1.00 0.00 H new ATOM 0 HA TRP A 7 30.307 6.167 -2.621 1.00 0.00 H new ATOM 0 HB2 TRP A 7 30.307 7.657 -0.680 1.00 0.00 H new ATOM 0 HB3 TRP A 7 29.155 8.229 -1.870 1.00 0.00 H new ATOM 0 HD1 TRP A 7 26.559 8.195 -1.200 1.00 0.00 H new ATOM 0 HE1 TRP A 7 25.301 7.873 1.036 1.00 0.00 H new ATOM 0 HE3 TRP A 7 30.427 6.332 1.575 1.00 0.00 H new ATOM 0 HZ2 TRP A 7 25.919 6.942 3.616 1.00 0.00 H new ATOM 0 HZ3 TRP A 7 30.013 5.745 3.932 1.00 0.00 H new ATOM 0 HH2 TRP A 7 27.786 6.046 4.934 1.00 0.00 H new ATOM 149 N TRP A 8 28.932 3.927 -0.957 1.00 0.00 N ATOM 150 CA TRP A 8 29.109 2.777 -0.093 1.00 0.00 C ATOM 151 C TRP A 8 30.302 1.912 -0.518 1.00 0.00 C ATOM 152 O TRP A 8 30.916 1.262 0.323 1.00 0.00 O ATOM 153 CB TRP A 8 27.833 1.934 -0.096 1.00 0.00 C ATOM 154 CG TRP A 8 27.933 0.715 -0.950 1.00 0.00 C ATOM 155 CD1 TRP A 8 28.415 -0.495 -0.588 1.00 0.00 C ATOM 156 CD2 TRP A 8 27.560 0.609 -2.314 1.00 0.00 C ATOM 157 NE1 TRP A 8 28.340 -1.373 -1.645 1.00 0.00 N ATOM 158 CE2 TRP A 8 27.816 -0.709 -2.723 1.00 0.00 C ATOM 159 CE3 TRP A 8 27.027 1.509 -3.220 1.00 0.00 C ATOM 160 CZ2 TRP A 8 27.548 -1.149 -4.017 1.00 0.00 C ATOM 161 CZ3 TRP A 8 26.762 1.082 -4.501 1.00 0.00 C ATOM 162 CH2 TRP A 8 27.019 -0.239 -4.892 1.00 0.00 C ATOM 0 H TRP A 8 28.116 3.871 -1.566 1.00 0.00 H new ATOM 0 HA TRP A 8 29.314 3.146 0.912 1.00 0.00 H new ATOM 0 HB2 TRP A 8 27.601 1.635 0.926 1.00 0.00 H new ATOM 0 HB3 TRP A 8 27.002 2.547 -0.445 1.00 0.00 H new ATOM 0 HD1 TRP A 8 28.803 -0.738 0.390 1.00 0.00 H new ATOM 0 HE1 TRP A 8 28.626 -2.352 -1.629 1.00 0.00 H new ATOM 0 HE3 TRP A 8 26.823 2.528 -2.927 1.00 0.00 H new ATOM 0 HZ2 TRP A 8 27.749 -2.167 -4.318 1.00 0.00 H new ATOM 0 HZ3 TRP A 8 26.349 1.777 -5.217 1.00 0.00 H new ATOM 0 HH2 TRP A 8 26.795 -0.545 -5.903 1.00 0.00 H new ATOM 173 N PRO A 9 30.630 1.844 -1.830 1.00 0.00 N ATOM 174 CA PRO A 9 31.714 1.022 -2.334 1.00 0.00 C ATOM 175 C PRO A 9 32.900 0.910 -1.371 1.00 0.00 C ATOM 176 O PRO A 9 33.573 -0.120 -1.321 1.00 0.00 O ATOM 177 CB PRO A 9 32.137 1.744 -3.627 1.00 0.00 C ATOM 178 CG PRO A 9 31.135 2.841 -3.830 1.00 0.00 C ATOM 179 CD PRO A 9 29.969 2.495 -2.954 1.00 0.00 C ATOM 0 HA PRO A 9 31.391 -0.009 -2.480 1.00 0.00 H new ATOM 0 HB2 PRO A 9 33.146 2.148 -3.537 1.00 0.00 H new ATOM 0 HB3 PRO A 9 32.142 1.058 -4.474 1.00 0.00 H new ATOM 0 HG2 PRO A 9 31.555 3.809 -3.558 1.00 0.00 H new ATOM 0 HG3 PRO A 9 30.833 2.907 -4.875 1.00 0.00 H new ATOM 0 HD2 PRO A 9 29.412 3.379 -2.645 1.00 0.00 H new ATOM 0 HD3 PRO A 9 29.263 1.832 -3.454 1.00 0.00 H new ATOM 187 N PHE A 10 33.151 1.973 -0.609 1.00 0.00 N ATOM 188 CA PHE A 10 34.254 1.985 0.350 1.00 0.00 C ATOM 189 C PHE A 10 33.752 1.766 1.778 1.00 0.00 C ATOM 190 O PHE A 10 34.503 1.324 2.648 1.00 0.00 O ATOM 191 CB PHE A 10 35.016 3.311 0.267 1.00 0.00 C ATOM 192 CG PHE A 10 35.176 3.831 -1.133 1.00 0.00 C ATOM 193 CD1 PHE A 10 35.879 3.104 -2.080 1.00 0.00 C ATOM 194 CD2 PHE A 10 34.620 5.045 -1.502 1.00 0.00 C ATOM 195 CE1 PHE A 10 36.026 3.579 -3.370 1.00 0.00 C ATOM 196 CE2 PHE A 10 34.764 5.526 -2.790 1.00 0.00 C ATOM 197 CZ PHE A 10 35.469 4.792 -3.725 1.00 0.00 C ATOM 0 H PHE A 10 32.607 2.835 -0.637 1.00 0.00 H new ATOM 0 HA PHE A 10 34.925 1.166 0.094 1.00 0.00 H new ATOM 0 HB2 PHE A 10 34.493 4.058 0.865 1.00 0.00 H new ATOM 0 HB3 PHE A 10 36.003 3.181 0.711 1.00 0.00 H new ATOM 0 HD1 PHE A 10 36.317 2.155 -1.807 1.00 0.00 H new ATOM 0 HD2 PHE A 10 34.068 5.622 -0.775 1.00 0.00 H new ATOM 0 HE1 PHE A 10 36.576 3.002 -4.099 1.00 0.00 H new ATOM 0 HE2 PHE A 10 34.326 6.474 -3.065 1.00 0.00 H new ATOM 0 HZ PHE A 10 35.584 5.166 -4.732 1.00 0.00 H new ATOM 207 N LEU A 11 32.481 2.082 2.012 1.00 0.00 N ATOM 208 CA LEU A 11 31.875 1.926 3.333 1.00 0.00 C ATOM 209 C LEU A 11 31.856 0.459 3.774 1.00 0.00 C ATOM 210 O LEU A 11 31.640 0.163 4.950 1.00 0.00 O ATOM 211 CB LEU A 11 30.457 2.528 3.329 1.00 0.00 C ATOM 212 CG LEU A 11 29.288 1.568 3.613 1.00 0.00 C ATOM 213 CD1 LEU A 11 27.991 2.351 3.756 1.00 0.00 C ATOM 214 CD2 LEU A 11 29.145 0.529 2.511 1.00 0.00 C ATOM 0 H LEU A 11 31.848 2.449 1.301 1.00 0.00 H new ATOM 0 HA LEU A 11 32.483 2.466 4.059 1.00 0.00 H new ATOM 0 HB2 LEU A 11 30.426 3.327 4.070 1.00 0.00 H new ATOM 0 HB3 LEU A 11 30.288 2.989 2.356 1.00 0.00 H new ATOM 0 HG LEU A 11 29.502 1.047 4.546 1.00 0.00 H new ATOM 0 HD11 LEU A 11 27.170 1.662 3.957 1.00 0.00 H new ATOM 0 HD12 LEU A 11 28.082 3.058 4.581 1.00 0.00 H new ATOM 0 HD13 LEU A 11 27.791 2.895 2.833 1.00 0.00 H new ATOM 0 HD21 LEU A 11 28.311 -0.134 2.742 1.00 0.00 H new ATOM 0 HD22 LEU A 11 28.959 1.030 1.561 1.00 0.00 H new ATOM 0 HD23 LEU A 11 30.063 -0.055 2.440 1.00 0.00 H new ATOM 226 N ARG A 12 32.080 -0.453 2.831 1.00 0.00 N ATOM 227 CA ARG A 12 32.084 -1.880 3.141 1.00 0.00 C ATOM 228 C ARG A 12 33.341 -2.553 2.596 1.00 0.00 C ATOM 229 O ARG A 12 34.143 -3.096 3.355 1.00 0.00 O ATOM 230 CB ARG A 12 30.838 -2.553 2.561 1.00 0.00 C ATOM 231 CG ARG A 12 29.706 -2.701 3.565 1.00 0.00 C ATOM 232 CD ARG A 12 28.422 -3.160 2.894 1.00 0.00 C ATOM 233 NE ARG A 12 28.321 -4.616 2.842 1.00 0.00 N ATOM 234 CZ ARG A 12 27.337 -5.270 2.228 1.00 0.00 C ATOM 235 NH1 ARG A 12 26.369 -4.601 1.613 1.00 0.00 N ATOM 236 NH2 ARG A 12 27.321 -6.596 2.228 1.00 0.00 N ATOM 0 H ARG A 12 32.260 -0.231 1.852 1.00 0.00 H new ATOM 0 HA ARG A 12 32.077 -1.990 4.225 1.00 0.00 H new ATOM 0 HB2 ARG A 12 30.484 -1.972 1.709 1.00 0.00 H new ATOM 0 HB3 ARG A 12 31.110 -3.539 2.184 1.00 0.00 H new ATOM 0 HG2 ARG A 12 29.992 -3.418 4.334 1.00 0.00 H new ATOM 0 HG3 ARG A 12 29.535 -1.748 4.066 1.00 0.00 H new ATOM 0 HD2 ARG A 12 27.566 -2.757 3.435 1.00 0.00 H new ATOM 0 HD3 ARG A 12 28.378 -2.757 1.882 1.00 0.00 H new ATOM 0 HE ARG A 12 29.047 -5.164 3.303 1.00 0.00 H new ATOM 0 HH11 ARG A 12 26.377 -3.581 1.609 1.00 0.00 H new ATOM 0 HH12 ARG A 12 25.618 -5.107 1.144 1.00 0.00 H new ATOM 0 HH21 ARG A 12 28.062 -7.115 2.698 1.00 0.00 H new ATOM 0 HH22 ARG A 12 26.567 -7.097 1.758 1.00 0.00 H new ATOM 250 N ARG A 13 33.506 -2.511 1.279 1.00 0.00 N ATOM 251 CA ARG A 13 34.663 -3.117 0.633 1.00 0.00 C ATOM 252 C ARG A 13 34.716 -2.743 -0.846 1.00 0.00 C ATOM 253 O ARG A 13 33.935 -3.320 -1.631 1.00 0.00 O ATOM 254 CB ARG A 13 34.622 -4.640 0.787 1.00 0.00 C ATOM 255 CG ARG A 13 35.551 -5.167 1.868 1.00 0.00 C ATOM 256 CD ARG A 13 34.909 -6.304 2.649 1.00 0.00 C ATOM 257 NE ARG A 13 34.292 -5.837 3.889 1.00 0.00 N ATOM 258 CZ ARG A 13 33.402 -6.540 4.585 1.00 0.00 C ATOM 259 NH1 ARG A 13 33.021 -7.742 4.166 1.00 0.00 N ATOM 260 NH2 ARG A 13 32.892 -6.042 5.702 1.00 0.00 N ATOM 261 OXT ARG A 13 35.539 -1.875 -1.206 1.00 0.00 O ATOM 0 H ARG A 13 32.852 -2.063 0.637 1.00 0.00 H new ATOM 0 HA ARG A 13 35.561 -2.736 1.119 1.00 0.00 H new ATOM 0 HB2 ARG A 13 33.601 -4.946 1.016 1.00 0.00 H new ATOM 0 HB3 ARG A 13 34.887 -5.100 -0.165 1.00 0.00 H new ATOM 0 HG2 ARG A 13 36.479 -5.515 1.414 1.00 0.00 H new ATOM 0 HG3 ARG A 13 35.813 -4.358 2.550 1.00 0.00 H new ATOM 0 HD2 ARG A 13 34.155 -6.789 2.029 1.00 0.00 H new ATOM 0 HD3 ARG A 13 35.663 -7.056 2.880 1.00 0.00 H new ATOM 0 HE ARG A 13 34.559 -4.918 4.242 1.00 0.00 H new ATOM 0 HH11 ARG A 13 33.411 -8.130 3.307 1.00 0.00 H new ATOM 0 HH12 ARG A 13 32.338 -8.277 4.703 1.00 0.00 H new ATOM 0 HH21 ARG A 13 33.182 -5.120 6.028 1.00 0.00 H new ATOM 0 HH22 ARG A 13 32.210 -6.581 6.236 1.00 0.00 H new TER 275 ARG A 13