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+ 136:sc= -0.0196 (180deg=-0.229) USER MOD ----------------------------------------------------------------- ATOM 1 N VAL A 1 18.737 -5.667 -5.421 1.00 0.00 N ATOM 2 CA VAL A 1 18.811 -4.185 -5.343 1.00 0.00 C ATOM 3 C VAL A 1 19.625 -3.741 -4.131 1.00 0.00 C ATOM 4 O VAL A 1 19.532 -4.336 -3.057 1.00 0.00 O ATOM 5 CB VAL A 1 17.404 -3.558 -5.264 1.00 0.00 C ATOM 6 CG1 VAL A 1 16.677 -4.025 -4.011 1.00 0.00 C ATOM 7 CG2 VAL A 1 17.488 -2.038 -5.309 1.00 0.00 C ATOM 0 H1 VAL A 1 17.764 -5.955 -5.647 1.00 0.00 H new ATOM 0 H2 VAL A 1 19.380 -6.008 -6.163 1.00 0.00 H new ATOM 0 H3 VAL A 1 19.015 -6.077 -4.507 1.00 0.00 H new ATOM 0 HA VAL A 1 19.303 -3.841 -6.253 1.00 0.00 H new ATOM 0 HB VAL A 1 16.832 -3.890 -6.131 1.00 0.00 H new ATOM 0 HG11 VAL A 1 15.687 -3.571 -3.974 1.00 0.00 H new ATOM 0 HG12 VAL A 1 16.578 -5.110 -4.031 1.00 0.00 H new ATOM 0 HG13 VAL A 1 17.245 -3.728 -3.129 1.00 0.00 H new ATOM 0 HG21 VAL A 1 16.484 -1.616 -5.252 1.00 0.00 H new ATOM 0 HG22 VAL A 1 18.080 -1.681 -4.466 1.00 0.00 H new ATOM 0 HG23 VAL A 1 17.960 -1.727 -6.241 1.00 0.00 H new ATOM 19 N ARG A 2 20.422 -2.693 -4.312 1.00 0.00 N ATOM 20 CA ARG A 2 21.253 -2.170 -3.233 1.00 0.00 C ATOM 21 C ARG A 2 20.526 -1.068 -2.472 1.00 0.00 C ATOM 22 O ARG A 2 19.471 -0.596 -2.895 1.00 0.00 O ATOM 23 CB ARG A 2 22.577 -1.641 -3.791 1.00 0.00 C ATOM 24 CG ARG A 2 23.799 -2.351 -3.231 1.00 0.00 C ATOM 25 CD ARG A 2 24.288 -1.693 -1.951 1.00 0.00 C ATOM 26 NE ARG A 2 25.704 -1.957 -1.706 1.00 0.00 N ATOM 27 CZ ARG A 2 26.185 -3.145 -1.347 1.00 0.00 C ATOM 28 NH1 ARG A 2 25.369 -4.179 -1.190 1.00 0.00 N ATOM 29 NH2 ARG A 2 27.487 -3.300 -1.146 1.00 0.00 N ATOM 0 H ARG A 2 20.510 -2.189 -5.195 1.00 0.00 H new ATOM 0 HA ARG A 2 21.462 -2.985 -2.539 1.00 0.00 H new ATOM 0 HB2 ARG A 2 22.572 -1.745 -4.876 1.00 0.00 H new ATOM 0 HB3 ARG A 2 22.654 -0.576 -3.573 1.00 0.00 H new ATOM 0 HG2 ARG A 2 23.556 -3.395 -3.035 1.00 0.00 H new ATOM 0 HG3 ARG A 2 24.597 -2.344 -3.973 1.00 0.00 H new ATOM 0 HD2 ARG A 2 24.125 -0.617 -2.011 1.00 0.00 H new ATOM 0 HD3 ARG A 2 23.700 -2.058 -1.109 1.00 0.00 H new ATOM 0 HE ARG A 2 26.362 -1.186 -1.817 1.00 0.00 H new ATOM 0 HH11 ARG A 2 24.367 -4.066 -1.345 1.00 0.00 H new ATOM 0 HH12 ARG A 2 25.743 -5.087 -0.915 1.00 0.00 H new ATOM 0 HH21 ARG A 2 28.119 -2.509 -1.267 1.00 0.00 H new ATOM 0 HH22 ARG A 2 27.856 -4.210 -0.871 1.00 0.00 H new ATOM 43 N ARG A 3 21.100 -0.664 -1.346 1.00 0.00 N ATOM 44 CA ARG A 3 20.512 0.382 -0.519 1.00 0.00 C ATOM 45 C ARG A 3 21.594 1.293 0.052 1.00 0.00 C ATOM 46 O ARG A 3 21.848 1.290 1.256 1.00 0.00 O ATOM 47 CB ARG A 3 19.696 -0.244 0.613 1.00 0.00 C ATOM 48 CG ARG A 3 18.680 0.705 1.228 1.00 0.00 C ATOM 49 CD ARG A 3 19.096 1.143 2.623 1.00 0.00 C ATOM 50 NE ARG A 3 18.765 2.543 2.879 1.00 0.00 N ATOM 51 CZ ARG A 3 17.522 2.994 3.040 1.00 0.00 C ATOM 52 NH1 ARG A 3 16.492 2.159 2.973 1.00 0.00 N ATOM 53 NH2 ARG A 3 17.309 4.282 3.271 1.00 0.00 N ATOM 0 H ARG A 3 21.974 -1.046 -0.984 1.00 0.00 H new ATOM 0 HA ARG A 3 19.852 0.986 -1.142 1.00 0.00 H new ATOM 0 HB2 ARG A 3 19.176 -1.123 0.232 1.00 0.00 H new ATOM 0 HB3 ARG A 3 20.376 -0.589 1.392 1.00 0.00 H new ATOM 0 HG2 ARG A 3 18.567 1.581 0.590 1.00 0.00 H new ATOM 0 HG3 ARG A 3 17.707 0.217 1.275 1.00 0.00 H new ATOM 0 HD2 ARG A 3 18.603 0.513 3.363 1.00 0.00 H new ATOM 0 HD3 ARG A 3 20.169 0.996 2.744 1.00 0.00 H new ATOM 0 HE ARG A 3 19.531 3.214 2.938 1.00 0.00 H new ATOM 0 HH11 ARG A 3 16.650 1.167 2.798 1.00 0.00 H new ATOM 0 HH12 ARG A 3 15.542 2.510 3.097 1.00 0.00 H new ATOM 0 HH21 ARG A 3 18.097 4.927 3.325 1.00 0.00 H new ATOM 0 HH22 ARG A 3 16.357 4.627 3.394 1.00 0.00 H new ATOM 67 N PHE A 4 22.231 2.063 -0.830 1.00 0.00 N ATOM 68 CA PHE A 4 23.292 2.980 -0.461 1.00 0.00 C ATOM 69 C PHE A 4 23.072 3.613 0.914 1.00 0.00 C ATOM 70 O PHE A 4 22.383 4.623 1.052 1.00 0.00 O ATOM 71 CB PHE A 4 23.406 4.058 -1.537 1.00 0.00 C ATOM 72 CG PHE A 4 22.400 5.171 -1.405 1.00 0.00 C ATOM 73 CD1 PHE A 4 21.047 4.921 -1.573 1.00 0.00 C ATOM 74 CD2 PHE A 4 22.806 6.462 -1.108 1.00 0.00 C ATOM 75 CE1 PHE A 4 20.120 5.937 -1.451 1.00 0.00 C ATOM 76 CE2 PHE A 4 21.882 7.484 -0.985 1.00 0.00 C ATOM 77 CZ PHE A 4 20.537 7.220 -1.157 1.00 0.00 C ATOM 0 H PHE A 4 22.018 2.063 -1.828 1.00 0.00 H new ATOM 0 HA PHE A 4 24.221 2.415 -0.391 1.00 0.00 H new ATOM 0 HB2 PHE A 4 24.409 4.484 -1.504 1.00 0.00 H new ATOM 0 HB3 PHE A 4 23.290 3.592 -2.516 1.00 0.00 H new ATOM 0 HD1 PHE A 4 20.714 3.920 -1.802 1.00 0.00 H new ATOM 0 HD2 PHE A 4 23.856 6.673 -0.971 1.00 0.00 H new ATOM 0 HE1 PHE A 4 19.069 5.728 -1.586 1.00 0.00 H new ATOM 0 HE2 PHE A 4 22.211 8.486 -0.755 1.00 0.00 H new ATOM 0 HZ PHE A 4 19.813 8.016 -1.062 1.00 0.00 H new ATOM 87 N PRO A 5 23.673 3.026 1.953 1.00 0.00 N ATOM 88 CA PRO A 5 23.556 3.541 3.313 1.00 0.00 C ATOM 89 C PRO A 5 24.289 4.871 3.471 1.00 0.00 C ATOM 90 O PRO A 5 24.412 5.636 2.514 1.00 0.00 O ATOM 91 CB PRO A 5 24.200 2.435 4.158 1.00 0.00 C ATOM 92 CG PRO A 5 25.158 1.765 3.242 1.00 0.00 C ATOM 93 CD PRO A 5 24.522 1.821 1.882 1.00 0.00 C ATOM 0 HA PRO A 5 22.528 3.754 3.604 1.00 0.00 H new ATOM 0 HB2 PRO A 5 24.709 2.848 5.029 1.00 0.00 H new ATOM 0 HB3 PRO A 5 23.452 1.734 4.529 1.00 0.00 H new ATOM 0 HG2 PRO A 5 26.123 2.272 3.245 1.00 0.00 H new ATOM 0 HG3 PRO A 5 25.338 0.735 3.548 1.00 0.00 H new ATOM 0 HD2 PRO A 5 25.269 1.901 1.092 1.00 0.00 H new ATOM 0 HD3 PRO A 5 23.934 0.927 1.676 1.00 0.00 H new ATOM 101 N TRP A 6 24.788 5.134 4.668 1.00 0.00 N ATOM 102 CA TRP A 6 25.531 6.354 4.941 1.00 0.00 C ATOM 103 C TRP A 6 26.940 5.984 5.377 1.00 0.00 C ATOM 104 O TRP A 6 27.684 6.807 5.911 1.00 0.00 O ATOM 105 CB TRP A 6 24.838 7.197 6.020 1.00 0.00 C ATOM 106 CG TRP A 6 24.222 6.390 7.128 1.00 0.00 C ATOM 107 CD1 TRP A 6 23.337 5.358 6.999 1.00 0.00 C ATOM 108 CD2 TRP A 6 24.437 6.561 8.534 1.00 0.00 C ATOM 109 NE1 TRP A 6 22.995 4.871 8.237 1.00 0.00 N ATOM 110 CE2 TRP A 6 23.655 5.595 9.196 1.00 0.00 C ATOM 111 CE3 TRP A 6 25.215 7.436 9.297 1.00 0.00 C ATOM 112 CZ2 TRP A 6 23.631 5.480 10.583 1.00 0.00 C ATOM 113 CZ3 TRP A 6 25.189 7.320 10.675 1.00 0.00 C ATOM 114 CH2 TRP A 6 24.403 6.349 11.305 1.00 0.00 C ATOM 0 H TRP A 6 24.691 4.514 5.472 1.00 0.00 H new ATOM 0 HA TRP A 6 25.572 6.957 4.034 1.00 0.00 H new ATOM 0 HB2 TRP A 6 25.564 7.887 6.449 1.00 0.00 H new ATOM 0 HB3 TRP A 6 24.062 7.802 5.551 1.00 0.00 H new ATOM 0 HD1 TRP A 6 22.961 4.980 6.060 1.00 0.00 H new ATOM 0 HE1 TRP A 6 22.355 4.097 8.414 1.00 0.00 H new ATOM 0 HE3 TRP A 6 25.825 8.189 8.820 1.00 0.00 H new ATOM 0 HZ2 TRP A 6 23.025 4.732 11.072 1.00 0.00 H new ATOM 0 HZ3 TRP A 6 25.786 7.991 11.275 1.00 0.00 H new ATOM 0 HH2 TRP A 6 24.406 6.284 12.383 1.00 0.00 H new ATOM 125 N TRP A 7 27.286 4.721 5.144 1.00 0.00 N ATOM 126 CA TRP A 7 28.588 4.192 5.503 1.00 0.00 C ATOM 127 C TRP A 7 29.174 3.355 4.362 1.00 0.00 C ATOM 128 O TRP A 7 30.255 2.783 4.497 1.00 0.00 O ATOM 129 CB TRP A 7 28.456 3.346 6.768 1.00 0.00 C ATOM 130 CG TRP A 7 27.588 2.138 6.584 1.00 0.00 C ATOM 131 CD1 TRP A 7 26.249 2.049 6.829 1.00 0.00 C ATOM 132 CD2 TRP A 7 27.999 0.848 6.116 1.00 0.00 C ATOM 133 NE1 TRP A 7 25.799 0.782 6.541 1.00 0.00 N ATOM 134 CE2 TRP A 7 26.855 0.027 6.101 1.00 0.00 C ATOM 135 CE3 TRP A 7 29.222 0.308 5.706 1.00 0.00 C ATOM 136 CZ2 TRP A 7 26.899 -1.303 5.693 1.00 0.00 C ATOM 137 CZ3 TRP A 7 29.263 -1.013 5.301 1.00 0.00 C ATOM 138 CH2 TRP A 7 28.108 -1.805 5.297 1.00 0.00 C ATOM 0 H TRP A 7 26.669 4.040 4.701 1.00 0.00 H new ATOM 0 HA TRP A 7 29.268 5.024 5.689 1.00 0.00 H new ATOM 0 HB2 TRP A 7 29.448 3.027 7.089 1.00 0.00 H new ATOM 0 HB3 TRP A 7 28.045 3.962 7.568 1.00 0.00 H new ATOM 0 HD1 TRP A 7 25.632 2.856 7.196 1.00 0.00 H new ATOM 0 HE1 TRP A 7 24.837 0.457 6.639 1.00 0.00 H new ATOM 0 HE3 TRP A 7 30.118 0.912 5.706 1.00 0.00 H new ATOM 0 HZ2 TRP A 7 26.010 -1.917 5.689 1.00 0.00 H new ATOM 0 HZ3 TRP A 7 30.202 -1.442 4.982 1.00 0.00 H new ATOM 0 HH2 TRP A 7 28.173 -2.834 4.974 1.00 0.00 H new ATOM 149 N TRP A 8 28.458 3.290 3.233 1.00 0.00 N ATOM 150 CA TRP A 8 28.910 2.535 2.083 1.00 0.00 C ATOM 151 C TRP A 8 30.094 3.206 1.369 1.00 0.00 C ATOM 152 O TRP A 8 30.921 2.521 0.771 1.00 0.00 O ATOM 153 CB TRP A 8 27.752 2.351 1.101 1.00 0.00 C ATOM 154 CG TRP A 8 27.808 3.277 -0.071 1.00 0.00 C ATOM 155 CD1 TRP A 8 28.455 3.071 -1.240 1.00 0.00 C ATOM 156 CD2 TRP A 8 27.210 4.560 -0.163 1.00 0.00 C ATOM 157 NE1 TRP A 8 28.272 4.143 -2.081 1.00 0.00 N ATOM 158 CE2 TRP A 8 27.507 5.078 -1.434 1.00 0.00 C ATOM 159 CE3 TRP A 8 26.443 5.309 0.710 1.00 0.00 C ATOM 160 CZ2 TRP A 8 27.054 6.326 -1.851 1.00 0.00 C ATOM 161 CZ3 TRP A 8 25.995 6.546 0.307 1.00 0.00 C ATOM 162 CH2 TRP A 8 26.297 7.047 -0.967 1.00 0.00 C ATOM 0 H TRP A 8 27.561 3.757 3.102 1.00 0.00 H new ATOM 0 HA TRP A 8 29.256 1.566 2.444 1.00 0.00 H new ATOM 0 HB2 TRP A 8 27.752 1.322 0.741 1.00 0.00 H new ATOM 0 HB3 TRP A 8 26.811 2.504 1.629 1.00 0.00 H new ATOM 0 HD1 TRP A 8 29.033 2.190 -1.479 1.00 0.00 H new ATOM 0 HE1 TRP A 8 28.643 4.228 -3.027 1.00 0.00 H new ATOM 0 HE3 TRP A 8 26.200 4.930 1.691 1.00 0.00 H new ATOM 0 HZ2 TRP A 8 27.290 6.710 -2.832 1.00 0.00 H new ATOM 0 HZ3 TRP A 8 25.400 7.141 0.984 1.00 0.00 H new ATOM 0 HH2 TRP A 8 25.926 8.019 -1.256 1.00 0.00 H new ATOM 173 N PRO A 9 30.182 4.555 1.378 1.00 0.00 N ATOM 174 CA PRO A 9 31.237 5.287 0.708 1.00 0.00 C ATOM 175 C PRO A 9 32.589 4.569 0.729 1.00 0.00 C ATOM 176 O PRO A 9 33.385 4.698 -0.201 1.00 0.00 O ATOM 177 CB PRO A 9 31.320 6.607 1.497 1.00 0.00 C ATOM 178 CG PRO A 9 30.198 6.560 2.488 1.00 0.00 C ATOM 179 CD PRO A 9 29.263 5.496 1.995 1.00 0.00 C ATOM 0 HA PRO A 9 31.013 5.413 -0.351 1.00 0.00 H new ATOM 0 HB2 PRO A 9 32.282 6.702 2.000 1.00 0.00 H new ATOM 0 HB3 PRO A 9 31.220 7.466 0.834 1.00 0.00 H new ATOM 0 HG2 PRO A 9 30.567 6.324 3.486 1.00 0.00 H new ATOM 0 HG3 PRO A 9 29.694 7.524 2.554 1.00 0.00 H new ATOM 0 HD2 PRO A 9 28.696 5.041 2.808 1.00 0.00 H new ATOM 0 HD3 PRO A 9 28.538 5.887 1.281 1.00 0.00 H new ATOM 187 N PHE A 10 32.844 3.824 1.802 1.00 0.00 N ATOM 188 CA PHE A 10 34.103 3.100 1.951 1.00 0.00 C ATOM 189 C PHE A 10 34.068 1.741 1.253 1.00 0.00 C ATOM 190 O PHE A 10 35.062 1.318 0.664 1.00 0.00 O ATOM 191 CB PHE A 10 34.431 2.914 3.434 1.00 0.00 C ATOM 192 CG PHE A 10 34.438 4.198 4.213 1.00 0.00 C ATOM 193 CD1 PHE A 10 35.455 5.122 4.041 1.00 0.00 C ATOM 194 CD2 PHE A 10 33.427 4.479 5.118 1.00 0.00 C ATOM 195 CE1 PHE A 10 35.464 6.304 4.756 1.00 0.00 C ATOM 196 CE2 PHE A 10 33.430 5.659 5.835 1.00 0.00 C ATOM 197 CZ PHE A 10 34.450 6.574 5.654 1.00 0.00 C ATOM 0 H PHE A 10 32.196 3.706 2.581 1.00 0.00 H new ATOM 0 HA PHE A 10 34.881 3.697 1.475 1.00 0.00 H new ATOM 0 HB2 PHE A 10 33.703 2.234 3.876 1.00 0.00 H new ATOM 0 HB3 PHE A 10 35.407 2.438 3.525 1.00 0.00 H new ATOM 0 HD1 PHE A 10 36.250 4.916 3.340 1.00 0.00 H new ATOM 0 HD2 PHE A 10 32.628 3.767 5.264 1.00 0.00 H new ATOM 0 HE1 PHE A 10 36.263 7.016 4.613 1.00 0.00 H new ATOM 0 HE2 PHE A 10 32.636 5.867 6.537 1.00 0.00 H new ATOM 0 HZ PHE A 10 34.454 7.498 6.213 1.00 0.00 H new ATOM 207 N LEU A 11 32.929 1.053 1.324 1.00 0.00 N ATOM 208 CA LEU A 11 32.806 -0.263 0.691 1.00 0.00 C ATOM 209 C LEU A 11 32.839 -0.145 -0.829 1.00 0.00 C ATOM 210 O LEU A 11 32.746 0.953 -1.380 1.00 0.00 O ATOM 211 CB LEU A 11 31.519 -0.973 1.128 1.00 0.00 C ATOM 212 CG LEU A 11 30.247 -0.136 1.015 1.00 0.00 C ATOM 213 CD1 LEU A 11 29.922 0.165 -0.440 1.00 0.00 C ATOM 214 CD2 LEU A 11 29.074 -0.833 1.690 1.00 0.00 C ATOM 0 H LEU A 11 32.090 1.377 1.805 1.00 0.00 H new ATOM 0 HA LEU A 11 33.659 -0.859 1.016 1.00 0.00 H new ATOM 0 HB2 LEU A 11 31.397 -1.874 0.526 1.00 0.00 H new ATOM 0 HB3 LEU A 11 31.633 -1.294 2.163 1.00 0.00 H new ATOM 0 HG LEU A 11 30.424 0.809 1.529 1.00 0.00 H new ATOM 0 HD11 LEU A 11 29.012 0.762 -0.493 1.00 0.00 H new ATOM 0 HD12 LEU A 11 30.746 0.719 -0.890 1.00 0.00 H new ATOM 0 HD13 LEU A 11 29.775 -0.770 -0.981 1.00 0.00 H new ATOM 0 HD21 LEU A 11 28.181 -0.216 1.595 1.00 0.00 H new ATOM 0 HD22 LEU A 11 28.901 -1.798 1.213 1.00 0.00 H new ATOM 0 HD23 LEU A 11 29.300 -0.985 2.746 1.00 0.00 H new ATOM 226 N ARG A 12 32.971 -1.284 -1.501 1.00 0.00 N ATOM 227 CA ARG A 12 33.016 -1.314 -2.958 1.00 0.00 C ATOM 228 C ARG A 12 33.049 -2.751 -3.468 1.00 0.00 C ATOM 229 O ARG A 12 33.922 -3.533 -3.092 1.00 0.00 O ATOM 230 CB ARG A 12 34.240 -0.550 -3.467 1.00 0.00 C ATOM 231 CG ARG A 12 34.361 -0.535 -4.984 1.00 0.00 C ATOM 232 CD ARG A 12 35.618 -1.249 -5.453 1.00 0.00 C ATOM 233 NE ARG A 12 36.013 -0.837 -6.797 1.00 0.00 N ATOM 234 CZ ARG A 12 35.448 -1.298 -7.910 1.00 0.00 C ATOM 235 NH1 ARG A 12 34.464 -2.187 -7.845 1.00 0.00 N ATOM 236 NH2 ARG A 12 35.868 -0.869 -9.092 1.00 0.00 N ATOM 0 H ARG A 12 33.049 -2.200 -1.059 1.00 0.00 H new ATOM 0 HA ARG A 12 32.114 -0.833 -3.337 1.00 0.00 H new ATOM 0 HB2 ARG A 12 34.194 0.477 -3.104 1.00 0.00 H new ATOM 0 HB3 ARG A 12 35.139 -0.997 -3.043 1.00 0.00 H new ATOM 0 HG2 ARG A 12 33.485 -1.012 -5.424 1.00 0.00 H new ATOM 0 HG3 ARG A 12 34.374 0.496 -5.338 1.00 0.00 H new ATOM 0 HD2 ARG A 12 36.432 -1.044 -4.757 1.00 0.00 H new ATOM 0 HD3 ARG A 12 35.450 -2.326 -5.439 1.00 0.00 H new ATOM 0 HE ARG A 12 36.767 -0.156 -6.888 1.00 0.00 H new ATOM 0 HH11 ARG A 12 34.137 -2.520 -6.938 1.00 0.00 H new ATOM 0 HH12 ARG A 12 34.035 -2.536 -8.702 1.00 0.00 H new ATOM 0 HH21 ARG A 12 36.624 -0.186 -9.148 1.00 0.00 H new ATOM 0 HH22 ARG A 12 35.436 -1.222 -9.946 1.00 0.00 H new ATOM 250 N ARG A 13 32.093 -3.093 -4.325 1.00 0.00 N ATOM 251 CA ARG A 13 32.014 -4.438 -4.885 1.00 0.00 C ATOM 252 C ARG A 13 33.289 -4.787 -5.646 1.00 0.00 C ATOM 253 O ARG A 13 33.398 -4.397 -6.828 1.00 0.00 O ATOM 254 CB ARG A 13 30.803 -4.558 -5.812 1.00 0.00 C ATOM 255 CG ARG A 13 29.500 -4.108 -5.172 1.00 0.00 C ATOM 256 CD ARG A 13 28.987 -2.818 -5.792 1.00 0.00 C ATOM 257 NE ARG A 13 28.532 -1.867 -4.781 1.00 0.00 N ATOM 258 CZ ARG A 13 27.742 -0.828 -5.040 1.00 0.00 C ATOM 259 NH1 ARG A 13 27.315 -0.604 -6.277 1.00 0.00 N ATOM 260 NH2 ARG A 13 27.376 -0.012 -4.062 1.00 0.00 N ATOM 261 OXT ARG A 13 34.169 -5.446 -5.054 1.00 0.00 O ATOM 0 H ARG A 13 31.362 -2.458 -4.647 1.00 0.00 H new ATOM 0 HA ARG A 13 31.901 -5.141 -4.060 1.00 0.00 H new ATOM 0 HB2 ARG A 13 30.982 -3.964 -6.708 1.00 0.00 H new ATOM 0 HB3 ARG A 13 30.702 -5.595 -6.132 1.00 0.00 H new ATOM 0 HG2 ARG A 13 28.749 -4.890 -5.285 1.00 0.00 H new ATOM 0 HG3 ARG A 13 29.651 -3.963 -4.102 1.00 0.00 H new ATOM 0 HD2 ARG A 13 29.778 -2.363 -6.388 1.00 0.00 H new ATOM 0 HD3 ARG A 13 28.166 -3.044 -6.472 1.00 0.00 H new ATOM 0 HE ARG A 13 28.838 -2.008 -3.818 1.00 0.00 H new ATOM 0 HH11 ARG A 13 27.592 -1.230 -7.033 1.00 0.00 H new ATOM 0 HH12 ARG A 13 26.710 0.194 -6.471 1.00 0.00 H new ATOM 0 HH21 ARG A 13 27.700 -0.180 -3.110 1.00 0.00 H new ATOM 0 HH22 ARG A 13 26.770 0.784 -4.262 1.00 0.00 H new TER 275 ARG A 13