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+ 177:sc= -0.487 (180deg=-0.516) USER MOD ----------------------------------------------------------------- ATOM 1 N VAL A 1 16.499 -4.511 -5.036 1.00 4.73 N ATOM 2 CA VAL A 1 17.273 -3.263 -5.267 1.00 3.81 C ATOM 3 C VAL A 1 18.376 -3.102 -4.227 1.00 3.34 C ATOM 4 O VAL A 1 18.346 -3.736 -3.172 1.00 3.61 O ATOM 5 CB VAL A 1 16.360 -2.023 -5.221 1.00 3.35 C ATOM 6 CG1 VAL A 1 15.371 -2.044 -6.377 1.00 3.50 C ATOM 7 CG2 VAL A 1 15.631 -1.946 -3.888 1.00 3.69 C ATOM 0 H1 VAL A 1 15.723 -4.571 -5.726 1.00 4.73 H new ATOM 0 H2 VAL A 1 17.126 -5.334 -5.147 1.00 4.73 H new ATOM 0 H3 VAL A 1 16.106 -4.503 -4.073 1.00 4.73 H new ATOM 0 HA VAL A 1 17.719 -3.344 -6.258 1.00 3.81 H new ATOM 0 HB VAL A 1 16.982 -1.133 -5.321 1.00 3.35 H new ATOM 0 HG11 VAL A 1 14.735 -1.160 -6.328 1.00 3.50 H new ATOM 0 HG12 VAL A 1 15.915 -2.047 -7.321 1.00 3.50 H new ATOM 0 HG13 VAL A 1 14.753 -2.940 -6.311 1.00 3.50 H new ATOM 0 HG21 VAL A 1 14.991 -1.064 -3.874 1.00 3.69 H new ATOM 0 HG22 VAL A 1 15.021 -2.839 -3.755 1.00 3.69 H new ATOM 0 HG23 VAL A 1 16.358 -1.880 -3.079 1.00 3.69 H new ATOM 19 N ARG A 2 19.351 -2.250 -4.532 1.00 3.03 N ATOM 20 CA ARG A 2 20.464 -2.007 -3.622 1.00 2.65 C ATOM 21 C ARG A 2 19.964 -1.470 -2.284 1.00 1.52 C ATOM 22 O ARG A 2 18.764 -1.488 -2.007 1.00 1.51 O ATOM 23 CB ARG A 2 21.456 -1.022 -4.247 1.00 3.31 C ATOM 24 CG ARG A 2 22.803 -1.645 -4.578 1.00 4.19 C ATOM 25 CD ARG A 2 23.956 -0.822 -4.022 1.00 5.06 C ATOM 26 NE ARG A 2 24.983 -1.663 -3.411 1.00 5.89 N ATOM 27 CZ ARG A 2 25.899 -1.212 -2.558 1.00 6.74 C ATOM 28 NH1 ARG A 2 25.922 0.070 -2.213 1.00 6.95 N ATOM 29 NH2 ARG A 2 26.797 -2.044 -2.047 1.00 7.63 N ATOM 0 H ARG A 2 19.392 -1.718 -5.401 1.00 3.03 H new ATOM 0 HA ARG A 2 20.971 -2.955 -3.444 1.00 2.65 H new ATOM 0 HB2 ARG A 2 21.022 -0.610 -5.158 1.00 3.31 H new ATOM 0 HB3 ARG A 2 21.609 -0.188 -3.561 1.00 3.31 H new ATOM 0 HG2 ARG A 2 22.847 -2.655 -4.170 1.00 4.19 H new ATOM 0 HG3 ARG A 2 22.907 -1.733 -5.659 1.00 4.19 H new ATOM 0 HD2 ARG A 2 24.400 -0.232 -4.824 1.00 5.06 H new ATOM 0 HD3 ARG A 2 23.575 -0.118 -3.282 1.00 5.06 H new ATOM 0 HE ARG A 2 24.999 -2.654 -3.653 1.00 5.89 H new ATOM 0 HH11 ARG A 2 25.235 0.715 -2.602 1.00 6.95 H new ATOM 0 HH12 ARG A 2 26.627 0.409 -1.559 1.00 6.95 H new ATOM 0 HH21 ARG A 2 26.785 -3.030 -2.308 1.00 7.63 H new ATOM 0 HH22 ARG A 2 27.499 -1.698 -1.393 1.00 7.63 H new ATOM 43 N ARG A 3 20.889 -0.995 -1.457 1.00 1.29 N ATOM 44 CA ARG A 3 20.537 -0.456 -0.149 1.00 1.19 C ATOM 45 C ARG A 3 21.578 0.551 0.329 1.00 1.05 C ATOM 46 O ARG A 3 21.793 0.705 1.531 1.00 1.58 O ATOM 47 CB ARG A 3 20.400 -1.588 0.871 1.00 2.39 C ATOM 48 CG ARG A 3 19.842 -1.134 2.211 1.00 3.23 C ATOM 49 CD ARG A 3 18.528 -1.827 2.536 1.00 4.14 C ATOM 50 NE ARG A 3 17.552 -0.907 3.116 1.00 4.94 N ATOM 51 CZ ARG A 3 16.822 -0.054 2.401 1.00 5.76 C ATOM 52 NH1 ARG A 3 16.955 0.001 1.082 1.00 5.97 N ATOM 53 NH2 ARG A 3 15.956 0.747 3.007 1.00 6.67 N ATOM 0 H ARG A 3 21.886 -0.972 -1.669 1.00 1.29 H new ATOM 0 HA ARG A 3 19.581 0.059 -0.244 1.00 1.19 H new ATOM 0 HB2 ARG A 3 19.751 -2.361 0.459 1.00 2.39 H new ATOM 0 HB3 ARG A 3 21.377 -2.044 1.029 1.00 2.39 H new ATOM 0 HG2 ARG A 3 20.568 -1.343 2.997 1.00 3.23 H new ATOM 0 HG3 ARG A 3 19.690 -0.055 2.195 1.00 3.23 H new ATOM 0 HD2 ARG A 3 18.116 -2.267 1.628 1.00 4.14 H new ATOM 0 HD3 ARG A 3 18.712 -2.646 3.232 1.00 4.14 H new ATOM 0 HE ARG A 3 17.423 -0.919 4.128 1.00 4.94 H new ATOM 0 HH11 ARG A 3 17.620 -0.613 0.610 1.00 5.97 H new ATOM 0 HH12 ARG A 3 16.393 0.657 0.540 1.00 5.97 H new ATOM 0 HH21 ARG A 3 15.850 0.709 4.021 1.00 6.67 H new ATOM 0 HH22 ARG A 3 15.396 1.401 2.459 1.00 6.67 H new ATOM 67 N PHE A 4 22.219 1.233 -0.621 1.00 0.73 N ATOM 68 CA PHE A 4 23.233 2.225 -0.324 1.00 0.96 C ATOM 69 C PHE A 4 22.876 3.058 0.905 1.00 1.55 C ATOM 70 O PHE A 4 22.090 4.003 0.829 1.00 2.10 O ATOM 71 CB PHE A 4 23.415 3.118 -1.544 1.00 1.50 C ATOM 72 CG PHE A 4 22.281 4.080 -1.770 1.00 2.03 C ATOM 73 CD1 PHE A 4 21.056 3.627 -2.230 1.00 2.53 C ATOM 74 CD2 PHE A 4 22.441 5.434 -1.521 1.00 2.57 C ATOM 75 CE1 PHE A 4 20.010 4.506 -2.438 1.00 3.08 C ATOM 76 CE2 PHE A 4 21.399 6.318 -1.727 1.00 3.08 C ATOM 77 CZ PHE A 4 20.182 5.854 -2.186 1.00 3.17 C ATOM 0 H PHE A 4 22.044 1.107 -1.618 1.00 0.73 H new ATOM 0 HA PHE A 4 24.167 1.712 -0.093 1.00 0.96 H new ATOM 0 HB2 PHE A 4 24.341 3.683 -1.434 1.00 1.50 H new ATOM 0 HB3 PHE A 4 23.528 2.490 -2.428 1.00 1.50 H new ATOM 0 HD1 PHE A 4 20.916 2.575 -2.429 1.00 2.53 H new ATOM 0 HD2 PHE A 4 23.391 5.802 -1.162 1.00 2.57 H new ATOM 0 HE1 PHE A 4 19.059 4.140 -2.797 1.00 3.08 H new ATOM 0 HE2 PHE A 4 21.536 7.371 -1.529 1.00 3.08 H new ATOM 0 HZ PHE A 4 19.366 6.543 -2.348 1.00 3.17 H new ATOM 87 N PRO A 5 23.446 2.705 2.063 1.00 1.72 N ATOM 88 CA PRO A 5 23.180 3.412 3.312 1.00 2.50 C ATOM 89 C PRO A 5 23.642 4.864 3.294 1.00 2.82 C ATOM 90 O PRO A 5 22.878 5.775 2.976 1.00 2.78 O ATOM 91 CB PRO A 5 23.936 2.587 4.361 1.00 2.69 C ATOM 92 CG PRO A 5 24.976 1.848 3.601 1.00 2.03 C ATOM 93 CD PRO A 5 24.380 1.581 2.249 1.00 1.44 C ATOM 0 HA PRO A 5 22.111 3.488 3.513 1.00 2.50 H new ATOM 0 HB2 PRO A 5 24.384 3.230 5.119 1.00 2.69 H new ATOM 0 HB3 PRO A 5 23.266 1.901 4.880 1.00 2.69 H new ATOM 0 HG2 PRO A 5 25.890 2.435 3.517 1.00 2.03 H new ATOM 0 HG3 PRO A 5 25.240 0.917 4.103 1.00 2.03 H new ATOM 0 HD2 PRO A 5 25.143 1.558 1.470 1.00 1.44 H new ATOM 0 HD3 PRO A 5 23.865 0.621 2.219 1.00 1.44 H new ATOM 101 N TRP A 6 24.887 5.055 3.649 1.00 3.34 N ATOM 102 CA TRP A 6 25.507 6.370 3.708 1.00 3.76 C ATOM 103 C TRP A 6 26.974 6.183 4.043 1.00 3.60 C ATOM 104 O TRP A 6 27.842 6.890 3.537 1.00 3.99 O ATOM 105 CB TRP A 6 24.824 7.251 4.756 1.00 4.63 C ATOM 106 CG TRP A 6 24.593 6.558 6.065 1.00 4.95 C ATOM 107 CD1 TRP A 6 23.751 5.510 6.301 1.00 4.75 C ATOM 108 CD2 TRP A 6 25.211 6.868 7.319 1.00 5.64 C ATOM 109 NE1 TRP A 6 23.807 5.150 7.626 1.00 5.35 N ATOM 110 CE2 TRP A 6 24.698 5.968 8.271 1.00 5.87 C ATOM 111 CE3 TRP A 6 26.151 7.818 7.728 1.00 6.13 C ATOM 112 CZ2 TRP A 6 25.091 5.991 9.606 1.00 6.58 C ATOM 113 CZ3 TRP A 6 26.541 7.841 9.054 1.00 6.78 C ATOM 114 CH2 TRP A 6 26.012 6.931 9.979 1.00 7.00 C ATOM 0 H TRP A 6 25.515 4.295 3.911 1.00 3.34 H new ATOM 0 HA TRP A 6 25.401 6.872 2.746 1.00 3.76 H new ATOM 0 HB2 TRP A 6 25.435 8.138 4.927 1.00 4.63 H new ATOM 0 HB3 TRP A 6 23.867 7.594 4.362 1.00 4.63 H new ATOM 0 HD1 TRP A 6 23.132 5.034 5.556 1.00 4.75 H new ATOM 0 HE1 TRP A 6 23.273 4.397 8.059 1.00 5.35 H new ATOM 0 HE3 TRP A 6 26.565 8.521 7.021 1.00 6.13 H new ATOM 0 HZ2 TRP A 6 24.684 5.292 10.321 1.00 6.58 H new ATOM 0 HZ3 TRP A 6 27.265 8.572 9.382 1.00 6.78 H new ATOM 0 HH2 TRP A 6 26.338 6.973 11.008 1.00 7.00 H new ATOM 125 N TRP A 7 27.231 5.182 4.879 1.00 3.08 N ATOM 126 CA TRP A 7 28.575 4.826 5.271 1.00 2.91 C ATOM 127 C TRP A 7 29.143 3.804 4.286 1.00 2.07 C ATOM 128 O TRP A 7 30.296 3.389 4.410 1.00 1.89 O ATOM 129 CB TRP A 7 28.573 4.245 6.686 1.00 3.45 C ATOM 130 CG TRP A 7 27.672 3.056 6.832 1.00 3.44 C ATOM 131 CD1 TRP A 7 26.329 3.071 7.076 1.00 3.80 C ATOM 132 CD2 TRP A 7 28.048 1.677 6.743 1.00 3.22 C ATOM 133 NE1 TRP A 7 25.846 1.787 7.139 1.00 3.80 N ATOM 134 CE2 TRP A 7 26.882 0.912 6.940 1.00 3.53 C ATOM 135 CE3 TRP A 7 29.257 1.014 6.513 1.00 2.93 C ATOM 136 CZ2 TRP A 7 26.891 -0.480 6.915 1.00 3.69 C ATOM 137 CZ3 TRP A 7 29.264 -0.369 6.489 1.00 3.14 C ATOM 138 CH2 TRP A 7 28.088 -1.102 6.688 1.00 3.56 C ATOM 0 H TRP A 7 26.507 4.599 5.300 1.00 3.08 H new ATOM 0 HA TRP A 7 29.199 5.720 5.261 1.00 2.91 H new ATOM 0 HB2 TRP A 7 29.589 3.959 6.956 1.00 3.45 H new ATOM 0 HB3 TRP A 7 28.262 5.018 7.389 1.00 3.45 H new ATOM 0 HD1 TRP A 7 25.733 3.963 7.201 1.00 3.80 H new ATOM 0 HE1 TRP A 7 24.874 1.527 7.307 1.00 3.80 H new ATOM 0 HE3 TRP A 7 30.169 1.571 6.357 1.00 2.93 H new ATOM 0 HZ2 TRP A 7 25.986 -1.048 7.069 1.00 3.69 H new ATOM 0 HZ3 TRP A 7 30.192 -0.892 6.314 1.00 3.14 H new ATOM 0 HH2 TRP A 7 28.127 -2.181 6.662 1.00 3.56 H new ATOM 149 N TRP A 8 28.329 3.402 3.292 1.00 1.61 N ATOM 150 CA TRP A 8 28.768 2.446 2.296 1.00 0.86 C ATOM 151 C TRP A 8 29.896 3.009 1.425 1.00 0.79 C ATOM 152 O TRP A 8 30.755 2.261 0.967 1.00 0.70 O ATOM 153 CB TRP A 8 27.586 2.032 1.419 1.00 0.60 C ATOM 154 CG TRP A 8 27.551 2.711 0.088 1.00 0.92 C ATOM 155 CD1 TRP A 8 28.154 2.299 -1.050 1.00 1.33 C ATOM 156 CD2 TRP A 8 26.888 3.927 -0.226 1.00 1.57 C ATOM 157 NE1 TRP A 8 27.888 3.175 -2.075 1.00 2.01 N ATOM 158 CE2 TRP A 8 27.110 4.191 -1.588 1.00 2.11 C ATOM 159 CE3 TRP A 8 26.125 4.810 0.517 1.00 2.00 C ATOM 160 CZ2 TRP A 8 26.584 5.314 -2.221 1.00 2.82 C ATOM 161 CZ3 TRP A 8 25.605 5.923 -0.101 1.00 2.70 C ATOM 162 CH2 TRP A 8 25.832 6.169 -1.462 1.00 3.04 C ATOM 0 H TRP A 8 27.371 3.731 3.170 1.00 1.61 H new ATOM 0 HA TRP A 8 29.160 1.574 2.820 1.00 0.86 H new ATOM 0 HB2 TRP A 8 27.621 0.954 1.265 1.00 0.60 H new ATOM 0 HB3 TRP A 8 26.659 2.248 1.950 1.00 0.60 H new ATOM 0 HD1 TRP A 8 28.758 1.409 -1.141 1.00 1.33 H new ATOM 0 HE1 TRP A 8 28.215 3.084 -3.037 1.00 2.01 H new ATOM 0 HE3 TRP A 8 25.941 4.628 1.566 1.00 2.00 H new ATOM 0 HZ2 TRP A 8 26.762 5.503 -3.269 1.00 2.82 H new ATOM 0 HZ3 TRP A 8 25.011 6.620 0.472 1.00 2.70 H new ATOM 0 HH2 TRP A 8 25.406 7.049 -1.920 1.00 3.04 H new ATOM 173 N PRO A 9 29.905 4.330 1.152 1.00 1.47 N ATOM 174 CA PRO A 9 30.909 4.957 0.323 1.00 1.92 C ATOM 175 C PRO A 9 32.293 4.328 0.481 1.00 1.63 C ATOM 176 O PRO A 9 33.074 4.265 -0.468 1.00 2.06 O ATOM 177 CB PRO A 9 30.924 6.418 0.812 1.00 2.60 C ATOM 178 CG PRO A 9 29.840 6.508 1.839 1.00 2.67 C ATOM 179 CD PRO A 9 28.948 5.332 1.586 1.00 2.08 C ATOM 0 HA PRO A 9 30.674 4.848 -0.736 1.00 1.92 H new ATOM 0 HB2 PRO A 9 31.892 6.679 1.240 1.00 2.60 H new ATOM 0 HB3 PRO A 9 30.743 7.109 -0.011 1.00 2.60 H new ATOM 0 HG2 PRO A 9 30.252 6.478 2.848 1.00 2.67 H new ATOM 0 HG3 PRO A 9 29.290 7.444 1.747 1.00 2.67 H new ATOM 0 HD2 PRO A 9 28.411 5.024 2.483 1.00 2.08 H new ATOM 0 HD3 PRO A 9 28.199 5.542 0.822 1.00 2.08 H new ATOM 187 N PHE A 10 32.586 3.871 1.697 1.00 1.13 N ATOM 188 CA PHE A 10 33.871 3.254 2.001 1.00 0.94 C ATOM 189 C PHE A 10 33.927 1.801 1.532 1.00 0.84 C ATOM 190 O PHE A 10 34.938 1.362 0.983 1.00 1.22 O ATOM 191 CB PHE A 10 34.146 3.322 3.504 1.00 1.20 C ATOM 192 CG PHE A 10 34.083 4.715 4.063 1.00 1.82 C ATOM 193 CD1 PHE A 10 34.715 5.765 3.415 1.00 2.28 C ATOM 194 CD2 PHE A 10 33.391 4.975 5.235 1.00 2.62 C ATOM 195 CE1 PHE A 10 34.658 7.047 3.927 1.00 2.88 C ATOM 196 CE2 PHE A 10 33.331 6.255 5.751 1.00 3.34 C ATOM 197 CZ PHE A 10 33.966 7.293 5.096 1.00 3.27 C ATOM 0 H PHE A 10 31.946 3.918 2.490 1.00 1.13 H new ATOM 0 HA PHE A 10 34.638 3.811 1.463 1.00 0.94 H new ATOM 0 HB2 PHE A 10 33.422 2.697 4.026 1.00 1.20 H new ATOM 0 HB3 PHE A 10 35.132 2.903 3.704 1.00 1.20 H new ATOM 0 HD1 PHE A 10 35.258 5.579 2.500 1.00 2.28 H new ATOM 0 HD2 PHE A 10 32.893 4.168 5.751 1.00 2.62 H new ATOM 0 HE1 PHE A 10 35.155 7.857 3.413 1.00 2.88 H new ATOM 0 HE2 PHE A 10 32.788 6.444 6.665 1.00 3.34 H new ATOM 0 HZ PHE A 10 33.921 8.294 5.498 1.00 3.27 H new ATOM 207 N LEU A 11 32.847 1.050 1.750 1.00 0.92 N ATOM 208 CA LEU A 11 32.819 -0.356 1.336 1.00 1.52 C ATOM 209 C LEU A 11 32.899 -0.471 -0.182 1.00 2.03 C ATOM 210 O LEU A 11 32.239 0.272 -0.908 1.00 2.95 O ATOM 211 CB LEU A 11 31.565 -1.076 1.858 1.00 1.76 C ATOM 212 CG LEU A 11 30.252 -0.312 1.701 1.00 1.63 C ATOM 213 CD1 LEU A 11 29.805 -0.296 0.248 1.00 1.94 C ATOM 214 CD2 LEU A 11 29.167 -0.909 2.585 1.00 2.02 C ATOM 0 H LEU A 11 31.995 1.382 2.202 1.00 0.92 H new ATOM 0 HA LEU A 11 33.691 -0.842 1.774 1.00 1.52 H new ATOM 0 HB2 LEU A 11 31.474 -2.030 1.339 1.00 1.76 H new ATOM 0 HB3 LEU A 11 31.710 -1.300 2.915 1.00 1.76 H new ATOM 0 HG LEU A 11 30.424 0.717 2.018 1.00 1.63 H new ATOM 0 HD11 LEU A 11 28.868 0.254 0.162 1.00 1.94 H new ATOM 0 HD12 LEU A 11 30.567 0.189 -0.362 1.00 1.94 H new ATOM 0 HD13 LEU A 11 29.659 -1.319 -0.099 1.00 1.94 H new ATOM 0 HD21 LEU A 11 28.242 -0.347 2.455 1.00 2.02 H new ATOM 0 HD22 LEU A 11 29.002 -1.950 2.306 1.00 2.02 H new ATOM 0 HD23 LEU A 11 29.479 -0.858 3.628 1.00 2.02 H new ATOM 226 N ARG A 12 33.721 -1.401 -0.657 1.00 1.93 N ATOM 227 CA ARG A 12 33.895 -1.606 -2.091 1.00 2.56 C ATOM 228 C ARG A 12 34.227 -3.063 -2.398 1.00 2.39 C ATOM 229 O ARG A 12 34.647 -3.813 -1.517 1.00 2.93 O ATOM 230 CB ARG A 12 35.005 -0.695 -2.621 1.00 3.27 C ATOM 231 CG ARG A 12 35.127 -0.696 -4.136 1.00 4.15 C ATOM 232 CD ARG A 12 33.845 -0.219 -4.799 1.00 4.98 C ATOM 233 NE ARG A 12 34.000 -0.065 -6.243 1.00 5.72 N ATOM 234 CZ ARG A 12 32.982 0.089 -7.087 1.00 6.50 C ATOM 235 NH1 ARG A 12 31.734 0.110 -6.635 1.00 6.72 N ATOM 236 NH2 ARG A 12 33.212 0.223 -8.386 1.00 7.34 N ATOM 0 H ARG A 12 34.277 -2.024 -0.071 1.00 1.93 H new ATOM 0 HA ARG A 12 32.957 -1.356 -2.587 1.00 2.56 H new ATOM 0 HB2 ARG A 12 34.819 0.324 -2.281 1.00 3.27 H new ATOM 0 HB3 ARG A 12 35.956 -1.007 -2.189 1.00 3.27 H new ATOM 0 HG2 ARG A 12 35.954 -0.052 -4.436 1.00 4.15 H new ATOM 0 HG3 ARG A 12 35.364 -1.702 -4.482 1.00 4.15 H new ATOM 0 HD2 ARG A 12 33.045 -0.930 -4.594 1.00 4.98 H new ATOM 0 HD3 ARG A 12 33.544 0.734 -4.363 1.00 4.98 H new ATOM 0 HE ARG A 12 34.945 -0.076 -6.628 1.00 5.72 H new ATOM 0 HH11 ARG A 12 31.551 0.008 -5.637 1.00 6.72 H new ATOM 0 HH12 ARG A 12 30.958 0.228 -7.286 1.00 6.72 H new ATOM 0 HH21 ARG A 12 34.169 0.208 -8.739 1.00 7.34 H new ATOM 0 HH22 ARG A 12 32.432 0.341 -9.033 1.00 7.34 H new ATOM 250 N ARG A 13 34.038 -3.456 -3.654 1.00 2.34 N ATOM 251 CA ARG A 13 34.319 -4.822 -4.081 1.00 2.72 C ATOM 252 C ARG A 13 35.766 -5.201 -3.779 1.00 3.00 C ATOM 253 O ARG A 13 35.999 -5.876 -2.754 1.00 3.45 O ATOM 254 CB ARG A 13 34.041 -4.976 -5.578 1.00 3.55 C ATOM 255 CG ARG A 13 34.302 -6.377 -6.108 1.00 4.21 C ATOM 256 CD ARG A 13 34.681 -6.353 -7.580 1.00 4.72 C ATOM 257 NE ARG A 13 35.773 -5.421 -7.850 1.00 5.50 N ATOM 258 CZ ARG A 13 36.050 -4.932 -9.056 1.00 6.24 C ATOM 259 NH1 ARG A 13 35.319 -5.284 -10.107 1.00 6.33 N ATOM 260 NH2 ARG A 13 37.060 -4.088 -9.214 1.00 7.16 N ATOM 261 OXT ARG A 13 36.654 -4.820 -4.571 1.00 3.44 O ATOM 0 H ARG A 13 33.691 -2.847 -4.395 1.00 2.34 H new ATOM 0 HA ARG A 13 33.664 -5.493 -3.525 1.00 2.72 H new ATOM 0 HB2 ARG A 13 33.002 -4.711 -5.775 1.00 3.55 H new ATOM 0 HB3 ARG A 13 34.661 -4.268 -6.128 1.00 3.55 H new ATOM 0 HG2 ARG A 13 35.102 -6.842 -5.532 1.00 4.21 H new ATOM 0 HG3 ARG A 13 33.412 -6.991 -5.970 1.00 4.21 H new ATOM 0 HD2 ARG A 13 34.973 -7.355 -7.895 1.00 4.72 H new ATOM 0 HD3 ARG A 13 33.811 -6.073 -8.174 1.00 4.72 H new ATOM 0 HE ARG A 13 36.358 -5.128 -7.068 1.00 5.50 H new ATOM 0 HH11 ARG A 13 34.540 -5.933 -9.992 1.00 6.33 H new ATOM 0 HH12 ARG A 13 35.536 -4.906 -11.029 1.00 6.33 H new ATOM 0 HH21 ARG A 13 37.625 -3.813 -8.411 1.00 7.16 H new ATOM 0 HH22 ARG A 13 37.272 -3.714 -10.139 1.00 7.16 H new TER 275 ARG A 13