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+ 134:sc= 0.0283 (180deg=-0.194) USER MOD ----------------------------------------------------------------- ATOM 1 N VAL A 1 16.549 -3.513 -5.374 1.00 0.00 N ATOM 2 CA VAL A 1 17.463 -2.368 -5.132 1.00 0.00 C ATOM 3 C VAL A 1 18.227 -2.542 -3.824 1.00 0.00 C ATOM 4 O VAL A 1 17.797 -3.277 -2.935 1.00 0.00 O ATOM 5 CB VAL A 1 16.691 -1.032 -5.092 1.00 0.00 C ATOM 6 CG1 VAL A 1 15.688 -1.021 -3.946 1.00 0.00 C ATOM 7 CG2 VAL A 1 17.656 0.140 -4.981 1.00 0.00 C ATOM 0 H1 VAL A 1 15.617 -3.157 -5.669 1.00 0.00 H new ATOM 0 H2 VAL A 1 16.941 -4.118 -6.123 1.00 0.00 H new ATOM 0 H3 VAL A 1 16.447 -4.067 -4.500 1.00 0.00 H new ATOM 0 HA VAL A 1 18.170 -2.345 -5.961 1.00 0.00 H new ATOM 0 HB VAL A 1 16.136 -0.929 -6.025 1.00 0.00 H new ATOM 0 HG11 VAL A 1 15.156 -0.070 -3.937 1.00 0.00 H new ATOM 0 HG12 VAL A 1 14.975 -1.835 -4.079 1.00 0.00 H new ATOM 0 HG13 VAL A 1 16.214 -1.151 -3.000 1.00 0.00 H new ATOM 0 HG21 VAL A 1 17.093 1.073 -4.954 1.00 0.00 H new ATOM 0 HG22 VAL A 1 18.242 0.043 -4.067 1.00 0.00 H new ATOM 0 HG23 VAL A 1 18.324 0.144 -5.842 1.00 0.00 H new ATOM 19 N ARG A 2 19.361 -1.858 -3.712 1.00 0.00 N ATOM 20 CA ARG A 2 20.188 -1.933 -2.513 1.00 0.00 C ATOM 21 C ARG A 2 19.884 -0.784 -1.568 1.00 0.00 C ATOM 22 O ARG A 2 19.309 0.231 -1.961 1.00 0.00 O ATOM 23 CB ARG A 2 21.671 -1.927 -2.886 1.00 0.00 C ATOM 24 CG ARG A 2 22.117 -0.652 -3.581 1.00 0.00 C ATOM 25 CD ARG A 2 23.563 -0.745 -4.043 1.00 0.00 C ATOM 26 NE ARG A 2 23.817 -1.967 -4.804 1.00 0.00 N ATOM 27 CZ ARG A 2 25.034 -2.443 -5.058 1.00 0.00 C ATOM 28 NH1 ARG A 2 26.109 -1.804 -4.613 1.00 0.00 N ATOM 29 NH2 ARG A 2 25.175 -3.561 -5.758 1.00 0.00 N ATOM 0 H ARG A 2 19.729 -1.244 -4.439 1.00 0.00 H new ATOM 0 HA ARG A 2 19.955 -2.867 -2.002 1.00 0.00 H new ATOM 0 HB2 ARG A 2 22.265 -2.066 -1.983 1.00 0.00 H new ATOM 0 HB3 ARG A 2 21.877 -2.777 -3.537 1.00 0.00 H new ATOM 0 HG2 ARG A 2 21.472 -0.459 -4.438 1.00 0.00 H new ATOM 0 HG3 ARG A 2 22.005 0.193 -2.901 1.00 0.00 H new ATOM 0 HD2 ARG A 2 23.803 0.122 -4.658 1.00 0.00 H new ATOM 0 HD3 ARG A 2 24.223 -0.714 -3.176 1.00 0.00 H new ATOM 0 HE ARG A 2 23.015 -2.485 -5.161 1.00 0.00 H new ATOM 0 HH11 ARG A 2 26.005 -0.944 -4.074 1.00 0.00 H new ATOM 0 HH12 ARG A 2 27.039 -2.173 -4.810 1.00 0.00 H new ATOM 0 HH21 ARG A 2 24.351 -4.055 -6.101 1.00 0.00 H new ATOM 0 HH22 ARG A 2 26.107 -3.926 -5.953 1.00 0.00 H new ATOM 43 N ARG A 3 20.271 -0.962 -0.315 1.00 0.00 N ATOM 44 CA ARG A 3 20.044 0.040 0.710 1.00 0.00 C ATOM 45 C ARG A 3 21.285 0.906 0.910 1.00 0.00 C ATOM 46 O ARG A 3 21.663 1.217 2.038 1.00 0.00 O ATOM 47 CB ARG A 3 19.659 -0.654 2.014 1.00 0.00 C ATOM 48 CG ARG A 3 19.171 0.297 3.095 1.00 0.00 C ATOM 49 CD ARG A 3 17.664 0.489 3.027 1.00 0.00 C ATOM 50 NE ARG A 3 16.940 -0.661 3.563 1.00 0.00 N ATOM 51 CZ ARG A 3 15.657 -0.910 3.314 1.00 0.00 C ATOM 52 NH1 ARG A 3 14.953 -0.095 2.539 1.00 0.00 N ATOM 53 NH2 ARG A 3 15.076 -1.979 3.842 1.00 0.00 N ATOM 0 H ARG A 3 20.748 -1.800 0.017 1.00 0.00 H new ATOM 0 HA ARG A 3 19.232 0.694 0.394 1.00 0.00 H new ATOM 0 HB2 ARG A 3 18.878 -1.386 1.808 1.00 0.00 H new ATOM 0 HB3 ARG A 3 20.521 -1.205 2.390 1.00 0.00 H new ATOM 0 HG2 ARG A 3 19.446 -0.093 4.075 1.00 0.00 H new ATOM 0 HG3 ARG A 3 19.667 1.261 2.985 1.00 0.00 H new ATOM 0 HD2 ARG A 3 17.387 1.384 3.585 1.00 0.00 H new ATOM 0 HD3 ARG A 3 17.366 0.654 1.992 1.00 0.00 H new ATOM 0 HE ARG A 3 17.448 -1.311 4.163 1.00 0.00 H new ATOM 0 HH11 ARG A 3 15.395 0.728 2.130 1.00 0.00 H new ATOM 0 HH12 ARG A 3 13.970 -0.292 2.352 1.00 0.00 H new ATOM 0 HH21 ARG A 3 15.613 -2.609 4.438 1.00 0.00 H new ATOM 0 HH22 ARG A 3 14.092 -2.171 3.652 1.00 0.00 H new ATOM 67 N PHE A 4 21.909 1.287 -0.205 1.00 0.00 N ATOM 68 CA PHE A 4 23.102 2.109 -0.206 1.00 0.00 C ATOM 69 C PHE A 4 23.106 3.143 0.920 1.00 0.00 C ATOM 70 O PHE A 4 22.547 4.231 0.789 1.00 0.00 O ATOM 71 CB PHE A 4 23.217 2.796 -1.561 1.00 0.00 C ATOM 72 CG PHE A 4 22.292 3.972 -1.731 1.00 0.00 C ATOM 73 CD1 PHE A 4 20.919 3.789 -1.756 1.00 0.00 C ATOM 74 CD2 PHE A 4 22.796 5.257 -1.861 1.00 0.00 C ATOM 75 CE1 PHE A 4 20.066 4.865 -1.910 1.00 0.00 C ATOM 76 CE2 PHE A 4 21.947 6.336 -2.015 1.00 0.00 C ATOM 77 CZ PHE A 4 20.580 6.140 -2.041 1.00 0.00 C ATOM 0 H PHE A 4 21.591 1.027 -1.138 1.00 0.00 H new ATOM 0 HA PHE A 4 23.962 1.463 -0.030 1.00 0.00 H new ATOM 0 HB2 PHE A 4 24.245 3.132 -1.701 1.00 0.00 H new ATOM 0 HB3 PHE A 4 23.010 2.068 -2.345 1.00 0.00 H new ATOM 0 HD1 PHE A 4 20.511 2.794 -1.654 1.00 0.00 H new ATOM 0 HD2 PHE A 4 23.864 5.416 -1.842 1.00 0.00 H new ATOM 0 HE1 PHE A 4 18.997 4.709 -1.928 1.00 0.00 H new ATOM 0 HE2 PHE A 4 22.352 7.332 -2.115 1.00 0.00 H new ATOM 0 HZ PHE A 4 19.915 6.982 -2.163 1.00 0.00 H new ATOM 87 N PRO A 5 23.752 2.814 2.041 1.00 0.00 N ATOM 88 CA PRO A 5 23.843 3.723 3.180 1.00 0.00 C ATOM 89 C PRO A 5 24.696 4.944 2.852 1.00 0.00 C ATOM 90 O PRO A 5 24.768 5.366 1.698 1.00 0.00 O ATOM 91 CB PRO A 5 24.486 2.852 4.268 1.00 0.00 C ATOM 92 CG PRO A 5 25.250 1.817 3.527 1.00 0.00 C ATOM 93 CD PRO A 5 24.458 1.541 2.282 1.00 0.00 C ATOM 0 HA PRO A 5 22.879 4.133 3.481 1.00 0.00 H new ATOM 0 HB2 PRO A 5 25.140 3.441 4.911 1.00 0.00 H new ATOM 0 HB3 PRO A 5 23.730 2.401 4.911 1.00 0.00 H new ATOM 0 HG2 PRO A 5 26.252 2.170 3.283 1.00 0.00 H new ATOM 0 HG3 PRO A 5 25.367 0.913 4.125 1.00 0.00 H new ATOM 0 HD2 PRO A 5 25.104 1.274 1.445 1.00 0.00 H new ATOM 0 HD3 PRO A 5 23.761 0.715 2.423 1.00 0.00 H new ATOM 101 N TRP A 6 25.352 5.497 3.858 1.00 0.00 N ATOM 102 CA TRP A 6 26.220 6.648 3.670 1.00 0.00 C ATOM 103 C TRP A 6 27.634 6.268 4.081 1.00 0.00 C ATOM 104 O TRP A 6 28.494 7.124 4.291 1.00 0.00 O ATOM 105 CB TRP A 6 25.729 7.855 4.482 1.00 0.00 C ATOM 106 CG TRP A 6 25.158 7.503 5.825 1.00 0.00 C ATOM 107 CD1 TRP A 6 24.185 6.583 6.092 1.00 0.00 C ATOM 108 CD2 TRP A 6 25.520 8.080 7.086 1.00 0.00 C ATOM 109 NE1 TRP A 6 23.925 6.546 7.440 1.00 0.00 N ATOM 110 CE2 TRP A 6 24.730 7.457 8.072 1.00 0.00 C ATOM 111 CE3 TRP A 6 26.435 9.061 7.478 1.00 0.00 C ATOM 112 CZ2 TRP A 6 24.830 7.783 9.422 1.00 0.00 C ATOM 113 CZ3 TRP A 6 26.533 9.384 8.817 1.00 0.00 C ATOM 114 CH2 TRP A 6 25.735 8.746 9.777 1.00 0.00 C ATOM 0 H TRP A 6 25.299 5.164 4.821 1.00 0.00 H new ATOM 0 HA TRP A 6 26.205 6.937 2.619 1.00 0.00 H new ATOM 0 HB2 TRP A 6 26.560 8.546 4.623 1.00 0.00 H new ATOM 0 HB3 TRP A 6 24.970 8.383 3.904 1.00 0.00 H new ATOM 0 HD1 TRP A 6 23.691 5.973 5.350 1.00 0.00 H new ATOM 0 HE1 TRP A 6 23.244 5.939 7.896 1.00 0.00 H new ATOM 0 HE3 TRP A 6 27.055 9.558 6.746 1.00 0.00 H new ATOM 0 HZ2 TRP A 6 24.215 7.293 10.163 1.00 0.00 H new ATOM 0 HZ3 TRP A 6 27.237 10.141 9.130 1.00 0.00 H new ATOM 0 HH2 TRP A 6 25.836 9.020 10.817 1.00 0.00 H new ATOM 125 N TRP A 7 27.851 4.962 4.198 1.00 0.00 N ATOM 126 CA TRP A 7 29.136 4.418 4.590 1.00 0.00 C ATOM 127 C TRP A 7 29.508 3.211 3.722 1.00 0.00 C ATOM 128 O TRP A 7 30.547 2.585 3.936 1.00 0.00 O ATOM 129 CB TRP A 7 29.085 4.018 6.064 1.00 0.00 C ATOM 130 CG TRP A 7 28.109 2.919 6.346 1.00 0.00 C ATOM 131 CD1 TRP A 7 26.800 3.061 6.711 1.00 0.00 C ATOM 132 CD2 TRP A 7 28.358 1.510 6.289 1.00 0.00 C ATOM 133 NE1 TRP A 7 26.221 1.827 6.881 1.00 0.00 N ATOM 134 CE2 TRP A 7 27.157 0.859 6.628 1.00 0.00 C ATOM 135 CE3 TRP A 7 29.481 0.735 5.981 1.00 0.00 C ATOM 136 CZ2 TRP A 7 27.048 -0.528 6.669 1.00 0.00 C ATOM 137 CZ3 TRP A 7 29.370 -0.642 6.023 1.00 0.00 C ATOM 138 CH2 TRP A 7 28.162 -1.261 6.365 1.00 0.00 C ATOM 0 H TRP A 7 27.137 4.255 4.023 1.00 0.00 H new ATOM 0 HA TRP A 7 29.902 5.180 4.446 1.00 0.00 H new ATOM 0 HB2 TRP A 7 30.079 3.703 6.382 1.00 0.00 H new ATOM 0 HB3 TRP A 7 28.821 4.891 6.661 1.00 0.00 H new ATOM 0 HD1 TRP A 7 26.294 4.006 6.846 1.00 0.00 H new ATOM 0 HE1 TRP A 7 25.252 1.659 7.152 1.00 0.00 H new ATOM 0 HE3 TRP A 7 30.417 1.204 5.715 1.00 0.00 H new ATOM 0 HZ2 TRP A 7 26.117 -1.008 6.932 1.00 0.00 H new ATOM 0 HZ3 TRP A 7 30.230 -1.251 5.788 1.00 0.00 H new ATOM 0 HH2 TRP A 7 28.109 -2.339 6.389 1.00 0.00 H new ATOM 149 N TRP A 8 28.659 2.889 2.739 1.00 0.00 N ATOM 150 CA TRP A 8 28.907 1.771 1.848 1.00 0.00 C ATOM 151 C TRP A 8 30.043 2.056 0.852 1.00 0.00 C ATOM 152 O TRP A 8 30.735 1.134 0.430 1.00 0.00 O ATOM 153 CB TRP A 8 27.625 1.428 1.085 1.00 0.00 C ATOM 154 CG TRP A 8 27.610 1.944 -0.318 1.00 0.00 C ATOM 155 CD1 TRP A 8 28.089 1.322 -1.419 1.00 0.00 C ATOM 156 CD2 TRP A 8 27.110 3.199 -0.749 1.00 0.00 C ATOM 157 NE1 TRP A 8 27.888 2.105 -2.532 1.00 0.00 N ATOM 158 CE2 TRP A 8 27.287 3.272 -2.140 1.00 0.00 C ATOM 159 CE3 TRP A 8 26.521 4.259 -0.086 1.00 0.00 C ATOM 160 CZ2 TRP A 8 26.888 4.380 -2.882 1.00 0.00 C ATOM 161 CZ3 TRP A 8 26.126 5.360 -0.810 1.00 0.00 C ATOM 162 CH2 TRP A 8 26.307 5.416 -2.199 1.00 0.00 C ATOM 0 H TRP A 8 27.794 3.394 2.548 1.00 0.00 H new ATOM 0 HA TRP A 8 29.218 0.926 2.462 1.00 0.00 H new ATOM 0 HB2 TRP A 8 27.501 0.345 1.067 1.00 0.00 H new ATOM 0 HB3 TRP A 8 26.770 1.838 1.624 1.00 0.00 H new ATOM 0 HD1 TRP A 8 28.561 0.351 -1.424 1.00 0.00 H new ATOM 0 HE1 TRP A 8 28.143 1.858 -3.488 1.00 0.00 H new ATOM 0 HE3 TRP A 8 26.373 4.224 0.983 1.00 0.00 H new ATOM 0 HZ2 TRP A 8 27.030 4.421 -3.952 1.00 0.00 H new ATOM 0 HZ3 TRP A 8 25.669 6.195 -0.300 1.00 0.00 H new ATOM 0 HH2 TRP A 8 25.982 6.292 -2.741 1.00 0.00 H new ATOM 173 N PRO A 9 30.236 3.324 0.425 1.00 0.00 N ATOM 174 CA PRO A 9 31.256 3.693 -0.538 1.00 0.00 C ATOM 175 C PRO A 9 32.541 2.871 -0.415 1.00 0.00 C ATOM 176 O PRO A 9 33.227 2.623 -1.407 1.00 0.00 O ATOM 177 CB PRO A 9 31.536 5.173 -0.216 1.00 0.00 C ATOM 178 CG PRO A 9 30.543 5.557 0.836 1.00 0.00 C ATOM 179 CD PRO A 9 29.476 4.507 0.791 1.00 0.00 C ATOM 0 HA PRO A 9 30.916 3.512 -1.558 1.00 0.00 H new ATOM 0 HB2 PRO A 9 32.557 5.309 0.142 1.00 0.00 H new ATOM 0 HB3 PRO A 9 31.424 5.794 -1.105 1.00 0.00 H new ATOM 0 HG2 PRO A 9 31.011 5.597 1.820 1.00 0.00 H new ATOM 0 HG3 PRO A 9 30.128 6.545 0.640 1.00 0.00 H new ATOM 0 HD2 PRO A 9 28.977 4.390 1.753 1.00 0.00 H new ATOM 0 HD3 PRO A 9 28.704 4.740 0.057 1.00 0.00 H new ATOM 187 N PHE A 10 32.866 2.463 0.809 1.00 0.00 N ATOM 188 CA PHE A 10 34.073 1.685 1.063 1.00 0.00 C ATOM 189 C PHE A 10 33.849 0.191 0.829 1.00 0.00 C ATOM 190 O PHE A 10 34.736 -0.500 0.328 1.00 0.00 O ATOM 191 CB PHE A 10 34.557 1.919 2.495 1.00 0.00 C ATOM 192 CG PHE A 10 34.770 3.369 2.826 1.00 0.00 C ATOM 193 CD1 PHE A 10 35.664 4.135 2.097 1.00 0.00 C ATOM 194 CD2 PHE A 10 34.076 3.964 3.867 1.00 0.00 C ATOM 195 CE1 PHE A 10 35.862 5.469 2.399 1.00 0.00 C ATOM 196 CE2 PHE A 10 34.269 5.297 4.174 1.00 0.00 C ATOM 197 CZ PHE A 10 35.162 6.051 3.439 1.00 0.00 C ATOM 0 H PHE A 10 32.309 2.659 1.641 1.00 0.00 H new ATOM 0 HA PHE A 10 34.834 2.021 0.359 1.00 0.00 H new ATOM 0 HB2 PHE A 10 33.829 1.499 3.189 1.00 0.00 H new ATOM 0 HB3 PHE A 10 35.491 1.379 2.647 1.00 0.00 H new ATOM 0 HD1 PHE A 10 36.213 3.685 1.283 1.00 0.00 H new ATOM 0 HD2 PHE A 10 33.376 3.379 4.445 1.00 0.00 H new ATOM 0 HE1 PHE A 10 36.563 6.056 1.823 1.00 0.00 H new ATOM 0 HE2 PHE A 10 33.722 5.749 4.988 1.00 0.00 H new ATOM 0 HZ PHE A 10 35.313 7.094 3.676 1.00 0.00 H new ATOM 207 N LEU A 11 32.673 -0.311 1.200 1.00 0.00 N ATOM 208 CA LEU A 11 32.371 -1.736 1.024 1.00 0.00 C ATOM 209 C LEU A 11 32.208 -2.096 -0.452 1.00 0.00 C ATOM 210 O LEU A 11 32.215 -3.274 -0.812 1.00 0.00 O ATOM 211 CB LEU A 11 31.108 -2.134 1.798 1.00 0.00 C ATOM 212 CG LEU A 11 29.895 -1.236 1.568 1.00 0.00 C ATOM 213 CD1 LEU A 11 29.389 -1.362 0.139 1.00 0.00 C ATOM 214 CD2 LEU A 11 28.784 -1.557 2.557 1.00 0.00 C ATOM 0 H LEU A 11 31.921 0.236 1.619 1.00 0.00 H new ATOM 0 HA LEU A 11 33.218 -2.293 1.423 1.00 0.00 H new ATOM 0 HB2 LEU A 11 30.841 -3.155 1.526 1.00 0.00 H new ATOM 0 HB3 LEU A 11 31.340 -2.138 2.863 1.00 0.00 H new ATOM 0 HG LEU A 11 30.209 -0.205 1.730 1.00 0.00 H new ATOM 0 HD11 LEU A 11 28.525 -0.713 0.001 1.00 0.00 H new ATOM 0 HD12 LEU A 11 30.178 -1.069 -0.554 1.00 0.00 H new ATOM 0 HD13 LEU A 11 29.101 -2.395 -0.055 1.00 0.00 H new ATOM 0 HD21 LEU A 11 27.932 -0.903 2.372 1.00 0.00 H new ATOM 0 HD22 LEU A 11 28.478 -2.596 2.435 1.00 0.00 H new ATOM 0 HD23 LEU A 11 29.146 -1.402 3.573 1.00 0.00 H new ATOM 226 N ARG A 12 32.058 -1.085 -1.303 1.00 0.00 N ATOM 227 CA ARG A 12 31.891 -1.316 -2.733 1.00 0.00 C ATOM 228 C ARG A 12 33.242 -1.418 -3.433 1.00 0.00 C ATOM 229 O ARG A 12 33.415 -2.214 -4.357 1.00 0.00 O ATOM 230 CB ARG A 12 31.060 -0.195 -3.361 1.00 0.00 C ATOM 231 CG ARG A 12 31.616 1.195 -3.102 1.00 0.00 C ATOM 232 CD ARG A 12 31.076 2.205 -4.101 1.00 0.00 C ATOM 233 NE ARG A 12 31.329 1.798 -5.481 1.00 0.00 N ATOM 234 CZ ARG A 12 30.666 2.279 -6.531 1.00 0.00 C ATOM 235 NH1 ARG A 12 29.711 3.185 -6.363 1.00 0.00 N ATOM 236 NH2 ARG A 12 30.960 1.853 -7.752 1.00 0.00 N ATOM 0 H ARG A 12 32.049 -0.103 -1.028 1.00 0.00 H new ATOM 0 HA ARG A 12 31.366 -2.262 -2.861 1.00 0.00 H new ATOM 0 HB2 ARG A 12 31.000 -0.358 -4.437 1.00 0.00 H new ATOM 0 HB3 ARG A 12 30.043 -0.248 -2.973 1.00 0.00 H new ATOM 0 HG2 ARG A 12 31.358 1.509 -2.090 1.00 0.00 H new ATOM 0 HG3 ARG A 12 32.704 1.170 -3.160 1.00 0.00 H new ATOM 0 HD2 ARG A 12 30.003 2.327 -3.950 1.00 0.00 H new ATOM 0 HD3 ARG A 12 31.536 3.176 -3.919 1.00 0.00 H new ATOM 0 HE ARG A 12 32.057 1.104 -5.650 1.00 0.00 H new ATOM 0 HH11 ARG A 12 29.482 3.516 -5.426 1.00 0.00 H new ATOM 0 HH12 ARG A 12 29.206 3.550 -7.171 1.00 0.00 H new ATOM 0 HH21 ARG A 12 31.694 1.157 -7.887 1.00 0.00 H new ATOM 0 HH22 ARG A 12 30.452 2.221 -8.557 1.00 0.00 H new ATOM 250 N ARG A 13 34.197 -0.608 -2.991 1.00 0.00 N ATOM 251 CA ARG A 13 35.527 -0.605 -3.574 1.00 0.00 C ATOM 252 C ARG A 13 36.510 -1.373 -2.696 1.00 0.00 C ATOM 253 O ARG A 13 36.063 -1.993 -1.709 1.00 0.00 O ATOM 254 CB ARG A 13 36.016 0.830 -3.783 1.00 0.00 C ATOM 255 CG ARG A 13 35.835 1.330 -5.206 1.00 0.00 C ATOM 256 CD ARG A 13 36.717 0.568 -6.181 1.00 0.00 C ATOM 257 NE ARG A 13 37.901 1.334 -6.561 1.00 0.00 N ATOM 258 CZ ARG A 13 38.825 0.899 -7.415 1.00 0.00 C ATOM 259 NH1 ARG A 13 38.703 -0.297 -7.981 1.00 0.00 N ATOM 260 NH2 ARG A 13 39.871 1.659 -7.705 1.00 0.00 N ATOM 261 OXT ARG A 13 37.721 -1.347 -3.004 1.00 0.00 O ATOM 0 H ARG A 13 34.071 0.057 -2.228 1.00 0.00 H new ATOM 0 HA ARG A 13 35.472 -1.103 -4.542 1.00 0.00 H new ATOM 0 HB2 ARG A 13 35.479 1.491 -3.103 1.00 0.00 H new ATOM 0 HB3 ARG A 13 37.071 0.888 -3.517 1.00 0.00 H new ATOM 0 HG2 ARG A 13 34.791 1.224 -5.500 1.00 0.00 H new ATOM 0 HG3 ARG A 13 36.073 2.393 -5.252 1.00 0.00 H new ATOM 0 HD2 ARG A 13 37.025 -0.375 -5.730 1.00 0.00 H new ATOM 0 HD3 ARG A 13 36.142 0.322 -7.074 1.00 0.00 H new ATOM 0 HE ARG A 13 38.028 2.258 -6.147 1.00 0.00 H new ATOM 0 HH11 ARG A 13 37.899 -0.885 -7.762 1.00 0.00 H new ATOM 0 HH12 ARG A 13 39.413 -0.627 -8.635 1.00 0.00 H new ATOM 0 HH21 ARG A 13 39.969 2.578 -7.274 1.00 0.00 H new ATOM 0 HH22 ARG A 13 40.578 1.325 -8.359 1.00 0.00 H new TER 275 ARG A 13