USER MOD reduce.3.24.130724 H: found=0, std=0, add=136, rem=0, adj=1 USER MOD reduce.3.24.130724 removed 138 hydrogens (2 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+ -174:sc= -0.563 (180deg=-0.635) USER MOD ----------------------------------------------------------------- ATOM 1 N VAL A 1 10.817 2.800 -4.907 1.00 0.00 N ATOM 2 CA VAL A 1 11.357 3.273 -3.607 1.00 0.00 C ATOM 3 C VAL A 1 10.928 2.356 -2.463 1.00 0.00 C ATOM 4 O VAL A 1 11.704 2.095 -1.544 1.00 0.00 O ATOM 5 CB VAL A 1 10.898 4.713 -3.299 1.00 0.00 C ATOM 6 CG1 VAL A 1 11.422 5.678 -4.352 1.00 0.00 C ATOM 7 CG2 VAL A 1 9.381 4.789 -3.210 1.00 0.00 C ATOM 0 H1 VAL A 1 11.206 3.381 -5.677 1.00 0.00 H new ATOM 0 H2 VAL A 1 11.086 1.806 -5.054 1.00 0.00 H new ATOM 0 H3 VAL A 1 9.780 2.881 -4.902 1.00 0.00 H new ATOM 0 HA VAL A 1 12.444 3.256 -3.691 1.00 0.00 H new ATOM 0 HB VAL A 1 11.310 5.002 -2.332 1.00 0.00 H new ATOM 0 HG11 VAL A 1 11.088 6.689 -4.118 1.00 0.00 H new ATOM 0 HG12 VAL A 1 12.512 5.649 -4.362 1.00 0.00 H new ATOM 0 HG13 VAL A 1 11.042 5.388 -5.332 1.00 0.00 H new ATOM 0 HG21 VAL A 1 9.080 5.814 -2.992 1.00 0.00 H new ATOM 0 HG22 VAL A 1 8.945 4.477 -4.159 1.00 0.00 H new ATOM 0 HG23 VAL A 1 9.030 4.131 -2.415 1.00 0.00 H new ATOM 19 N ARG A 2 9.685 1.877 -2.530 1.00 0.00 N ATOM 20 CA ARG A 2 9.132 0.993 -1.507 1.00 0.00 C ATOM 21 C ARG A 2 9.023 1.704 -0.160 1.00 0.00 C ATOM 22 O ARG A 2 10.001 2.248 0.351 1.00 0.00 O ATOM 23 CB ARG A 2 9.984 -0.273 -1.366 1.00 0.00 C ATOM 24 CG ARG A 2 9.959 -1.164 -2.598 1.00 0.00 C ATOM 25 CD ARG A 2 10.824 -2.400 -2.411 1.00 0.00 C ATOM 26 NE ARG A 2 12.244 -2.069 -2.314 1.00 0.00 N ATOM 27 CZ ARG A 2 12.951 -1.548 -3.314 1.00 0.00 C ATOM 28 NH1 ARG A 2 12.378 -1.311 -4.487 1.00 0.00 N ATOM 29 NH2 ARG A 2 14.237 -1.270 -3.143 1.00 0.00 N ATOM 0 H ARG A 2 9.039 2.090 -3.290 1.00 0.00 H new ATOM 0 HA ARG A 2 8.129 0.709 -1.825 1.00 0.00 H new ATOM 0 HB2 ARG A 2 11.014 0.014 -1.156 1.00 0.00 H new ATOM 0 HB3 ARG A 2 9.631 -0.844 -0.507 1.00 0.00 H new ATOM 0 HG2 ARG A 2 8.933 -1.466 -2.809 1.00 0.00 H new ATOM 0 HG3 ARG A 2 10.310 -0.601 -3.463 1.00 0.00 H new ATOM 0 HD2 ARG A 2 10.513 -2.926 -1.509 1.00 0.00 H new ATOM 0 HD3 ARG A 2 10.668 -3.081 -3.247 1.00 0.00 H new ATOM 0 HE ARG A 2 12.720 -2.247 -1.430 1.00 0.00 H new ATOM 0 HH11 ARG A 2 11.391 -1.528 -4.626 1.00 0.00 H new ATOM 0 HH12 ARG A 2 12.924 -0.912 -5.250 1.00 0.00 H new ATOM 0 HH21 ARG A 2 14.684 -1.456 -2.245 1.00 0.00 H new ATOM 0 HH22 ARG A 2 14.779 -0.871 -3.909 1.00 0.00 H new ATOM 43 N ARG A 3 7.819 1.692 0.406 1.00 0.00 N ATOM 44 CA ARG A 3 7.553 2.323 1.679 1.00 0.00 C ATOM 45 C ARG A 3 6.137 1.991 2.062 1.00 0.00 C ATOM 46 O ARG A 3 5.407 2.789 2.650 1.00 0.00 O ATOM 47 CB ARG A 3 7.760 3.833 1.569 1.00 0.00 C ATOM 48 CG ARG A 3 7.526 4.598 2.858 1.00 0.00 C ATOM 49 CD ARG A 3 8.560 4.265 3.926 1.00 0.00 C ATOM 50 NE ARG A 3 8.409 2.906 4.444 1.00 0.00 N ATOM 51 CZ ARG A 3 9.177 2.391 5.401 1.00 0.00 C ATOM 52 NH1 ARG A 3 10.143 3.119 5.946 1.00 0.00 N ATOM 53 NH2 ARG A 3 8.977 1.147 5.815 1.00 0.00 N ATOM 0 H ARG A 3 7.005 1.242 -0.012 1.00 0.00 H new ATOM 0 HA ARG A 3 8.237 1.959 2.446 1.00 0.00 H new ATOM 0 HB2 ARG A 3 8.778 4.023 1.229 1.00 0.00 H new ATOM 0 HB3 ARG A 3 7.090 4.224 0.803 1.00 0.00 H new ATOM 0 HG2 ARG A 3 7.552 5.668 2.652 1.00 0.00 H new ATOM 0 HG3 ARG A 3 6.530 4.370 3.237 1.00 0.00 H new ATOM 0 HD2 ARG A 3 9.560 4.383 3.509 1.00 0.00 H new ATOM 0 HD3 ARG A 3 8.472 4.976 4.748 1.00 0.00 H new ATOM 0 HE ARG A 3 7.673 2.320 4.050 1.00 0.00 H new ATOM 0 HH11 ARG A 3 10.299 4.077 5.632 1.00 0.00 H new ATOM 0 HH12 ARG A 3 10.730 2.721 6.679 1.00 0.00 H new ATOM 0 HH21 ARG A 3 8.234 0.585 5.400 1.00 0.00 H new ATOM 0 HH22 ARG A 3 9.566 0.753 6.549 1.00 0.00 H new ATOM 67 N PHE A 4 5.759 0.782 1.698 1.00 0.00 N ATOM 68 CA PHE A 4 4.444 0.290 1.965 1.00 0.00 C ATOM 69 C PHE A 4 4.358 -1.191 1.677 1.00 0.00 C ATOM 70 O PHE A 4 5.208 -1.766 0.995 1.00 0.00 O ATOM 71 CB PHE A 4 3.408 1.011 1.114 1.00 0.00 C ATOM 72 CG PHE A 4 3.570 0.814 -0.368 1.00 0.00 C ATOM 73 CD1 PHE A 4 4.564 1.477 -1.065 1.00 0.00 C ATOM 74 CD2 PHE A 4 2.726 -0.048 -1.060 1.00 0.00 C ATOM 75 CE1 PHE A 4 4.716 1.292 -2.426 1.00 0.00 C ATOM 76 CE2 PHE A 4 2.875 -0.238 -2.421 1.00 0.00 C ATOM 77 CZ PHE A 4 3.872 0.433 -3.105 1.00 0.00 C ATOM 0 H PHE A 4 6.363 0.121 1.209 1.00 0.00 H new ATOM 0 HA PHE A 4 4.238 0.473 3.020 1.00 0.00 H new ATOM 0 HB2 PHE A 4 2.415 0.669 1.406 1.00 0.00 H new ATOM 0 HB3 PHE A 4 3.455 2.078 1.333 1.00 0.00 H new ATOM 0 HD1 PHE A 4 5.229 2.147 -0.540 1.00 0.00 H new ATOM 0 HD2 PHE A 4 1.947 -0.574 -0.529 1.00 0.00 H new ATOM 0 HE1 PHE A 4 5.494 1.818 -2.959 1.00 0.00 H new ATOM 0 HE2 PHE A 4 2.214 -0.909 -2.949 1.00 0.00 H new ATOM 0 HZ PHE A 4 3.991 0.286 -4.168 1.00 0.00 H new ATOM 87 N PRO A 5 3.298 -1.809 2.175 1.00 0.00 N ATOM 88 CA PRO A 5 3.028 -3.228 1.968 1.00 0.00 C ATOM 89 C PRO A 5 2.858 -3.566 0.487 1.00 0.00 C ATOM 90 O PRO A 5 3.745 -4.149 -0.137 1.00 0.00 O ATOM 91 CB PRO A 5 1.696 -3.425 2.697 1.00 0.00 C ATOM 92 CG PRO A 5 1.585 -2.287 3.637 1.00 0.00 C ATOM 93 CD PRO A 5 2.243 -1.155 2.955 1.00 0.00 C ATOM 0 HA PRO A 5 3.839 -3.862 2.326 1.00 0.00 H new ATOM 0 HB2 PRO A 5 0.863 -3.436 1.995 1.00 0.00 H new ATOM 0 HB3 PRO A 5 1.677 -4.376 3.229 1.00 0.00 H new ATOM 0 HG2 PRO A 5 0.542 -2.060 3.859 1.00 0.00 H new ATOM 0 HG3 PRO A 5 2.072 -2.511 4.586 1.00 0.00 H new ATOM 0 HD2 PRO A 5 1.548 -0.609 2.317 1.00 0.00 H new ATOM 0 HD3 PRO A 5 2.653 -0.438 3.666 1.00 0.00 H new ATOM 101 N TRP A 6 1.696 -3.170 -0.044 1.00 0.00 N ATOM 102 CA TRP A 6 1.304 -3.376 -1.446 1.00 0.00 C ATOM 103 C TRP A 6 -0.215 -3.420 -1.534 1.00 0.00 C ATOM 104 O TRP A 6 -0.822 -2.935 -2.488 1.00 0.00 O ATOM 105 CB TRP A 6 1.884 -4.655 -2.039 1.00 0.00 C ATOM 106 CG TRP A 6 1.315 -5.889 -1.440 1.00 0.00 C ATOM 107 CD1 TRP A 6 1.895 -6.656 -0.488 1.00 0.00 C ATOM 108 CD2 TRP A 6 0.062 -6.506 -1.756 1.00 0.00 C ATOM 109 NE1 TRP A 6 1.081 -7.702 -0.174 1.00 0.00 N ATOM 110 CE2 TRP A 6 -0.050 -7.643 -0.943 1.00 0.00 C ATOM 111 CE3 TRP A 6 -0.976 -6.204 -2.643 1.00 0.00 C ATOM 112 CZ2 TRP A 6 -1.158 -8.485 -0.987 1.00 0.00 C ATOM 113 CZ3 TRP A 6 -2.076 -7.039 -2.688 1.00 0.00 C ATOM 114 CH2 TRP A 6 -2.159 -8.170 -1.865 1.00 0.00 C ATOM 0 H TRP A 6 0.983 -2.685 0.501 1.00 0.00 H new ATOM 0 HA TRP A 6 1.705 -2.544 -2.025 1.00 0.00 H new ATOM 0 HB2 TRP A 6 1.703 -4.664 -3.114 1.00 0.00 H new ATOM 0 HB3 TRP A 6 2.965 -4.656 -1.898 1.00 0.00 H new ATOM 0 HD1 TRP A 6 2.861 -6.467 -0.043 1.00 0.00 H new ATOM 0 HE1 TRP A 6 1.283 -8.417 0.525 1.00 0.00 H new ATOM 0 HE3 TRP A 6 -0.919 -5.334 -3.281 1.00 0.00 H new ATOM 0 HZ2 TRP A 6 -1.225 -9.355 -0.351 1.00 0.00 H new ATOM 0 HZ3 TRP A 6 -2.885 -6.816 -3.368 1.00 0.00 H new ATOM 0 HH2 TRP A 6 -3.030 -8.806 -1.925 1.00 0.00 H new ATOM 125 N TRP A 7 -0.804 -4.018 -0.506 1.00 0.00 N ATOM 126 CA TRP A 7 -2.250 -4.164 -0.378 1.00 0.00 C ATOM 127 C TRP A 7 -2.828 -2.935 0.254 1.00 0.00 C ATOM 128 O TRP A 7 -4.043 -2.776 0.362 1.00 0.00 O ATOM 129 CB TRP A 7 -2.561 -5.317 0.561 1.00 0.00 C ATOM 130 CG TRP A 7 -1.766 -5.192 1.819 1.00 0.00 C ATOM 131 CD1 TRP A 7 -0.634 -5.855 2.083 1.00 0.00 C ATOM 132 CD2 TRP A 7 -1.983 -4.316 2.940 1.00 0.00 C ATOM 133 NE1 TRP A 7 -0.132 -5.487 3.292 1.00 0.00 N ATOM 134 CE2 TRP A 7 -0.939 -4.547 3.846 1.00 0.00 C ATOM 135 CE3 TRP A 7 -2.945 -3.372 3.276 1.00 0.00 C ATOM 136 CZ2 TRP A 7 -0.822 -3.872 5.056 1.00 0.00 C ATOM 137 CZ3 TRP A 7 -2.815 -2.691 4.471 1.00 0.00 C ATOM 138 CH2 TRP A 7 -1.768 -2.941 5.343 1.00 0.00 C ATOM 0 H TRP A 7 -0.284 -4.421 0.274 1.00 0.00 H new ATOM 0 HA TRP A 7 -2.668 -4.332 -1.371 1.00 0.00 H new ATOM 0 HB2 TRP A 7 -3.625 -5.327 0.795 1.00 0.00 H new ATOM 0 HB3 TRP A 7 -2.334 -6.264 0.072 1.00 0.00 H new ATOM 0 HD1 TRP A 7 -0.181 -6.583 1.426 1.00 0.00 H new ATOM 0 HE1 TRP A 7 0.718 -5.859 3.716 1.00 0.00 H new ATOM 0 HE3 TRP A 7 -3.777 -3.174 2.617 1.00 0.00 H new ATOM 0 HZ2 TRP A 7 -0.012 -4.080 5.740 1.00 0.00 H new ATOM 0 HZ3 TRP A 7 -3.549 -1.944 4.732 1.00 0.00 H new ATOM 0 HH2 TRP A 7 -1.703 -2.386 6.267 1.00 0.00 H new ATOM 149 N TRP A 8 -1.937 -2.125 0.783 1.00 0.00 N ATOM 150 CA TRP A 8 -2.337 -0.974 1.524 1.00 0.00 C ATOM 151 C TRP A 8 -2.754 0.244 0.667 1.00 0.00 C ATOM 152 O TRP A 8 -3.612 1.017 1.082 1.00 0.00 O ATOM 153 CB TRP A 8 -1.242 -0.634 2.486 1.00 0.00 C ATOM 154 CG TRP A 8 -0.501 0.479 1.977 1.00 0.00 C ATOM 155 CD1 TRP A 8 0.389 0.448 1.007 1.00 0.00 C ATOM 156 CD2 TRP A 8 -0.672 1.794 2.365 1.00 0.00 C ATOM 157 NE1 TRP A 8 0.832 1.713 0.760 1.00 0.00 N ATOM 158 CE2 TRP A 8 0.182 2.573 1.611 1.00 0.00 C ATOM 159 CE3 TRP A 8 -1.475 2.349 3.303 1.00 0.00 C ATOM 160 CZ2 TRP A 8 0.248 3.946 1.777 1.00 0.00 C ATOM 161 CZ3 TRP A 8 -1.434 3.710 3.495 1.00 0.00 C ATOM 162 CH2 TRP A 8 -0.569 4.503 2.729 1.00 0.00 C ATOM 0 H TRP A 8 -0.928 -2.253 0.707 1.00 0.00 H new ATOM 0 HA TRP A 8 -3.253 -1.230 2.056 1.00 0.00 H new ATOM 0 HB2 TRP A 8 -1.661 -0.392 3.463 1.00 0.00 H new ATOM 0 HB3 TRP A 8 -0.584 -1.492 2.625 1.00 0.00 H new ATOM 0 HD1 TRP A 8 0.717 -0.441 0.488 1.00 0.00 H new ATOM 0 HE1 TRP A 8 1.528 1.976 0.062 1.00 0.00 H new ATOM 0 HE3 TRP A 8 -2.138 1.732 3.892 1.00 0.00 H new ATOM 0 HZ2 TRP A 8 0.914 4.553 1.182 1.00 0.00 H new ATOM 0 HZ3 TRP A 8 -2.070 4.169 4.238 1.00 0.00 H new ATOM 0 HH2 TRP A 8 -0.545 5.571 2.890 1.00 0.00 H new ATOM 173 N PRO A 9 -2.213 0.415 -0.556 1.00 0.00 N ATOM 174 CA PRO A 9 -2.604 1.497 -1.444 1.00 0.00 C ATOM 175 C PRO A 9 -3.786 0.987 -2.205 1.00 0.00 C ATOM 176 O PRO A 9 -3.897 1.107 -3.426 1.00 0.00 O ATOM 177 CB PRO A 9 -1.394 1.663 -2.358 1.00 0.00 C ATOM 178 CG PRO A 9 -0.712 0.328 -2.364 1.00 0.00 C ATOM 179 CD PRO A 9 -1.266 -0.478 -1.209 1.00 0.00 C ATOM 0 HA PRO A 9 -2.866 2.440 -0.964 1.00 0.00 H new ATOM 0 HB2 PRO A 9 -1.698 1.953 -3.364 1.00 0.00 H new ATOM 0 HB3 PRO A 9 -0.728 2.443 -1.989 1.00 0.00 H new ATOM 0 HG2 PRO A 9 -0.888 -0.187 -3.309 1.00 0.00 H new ATOM 0 HG3 PRO A 9 0.367 0.449 -2.263 1.00 0.00 H new ATOM 0 HD2 PRO A 9 -1.755 -1.387 -1.559 1.00 0.00 H new ATOM 0 HD3 PRO A 9 -0.475 -0.785 -0.525 1.00 0.00 H new ATOM 187 N PHE A 10 -4.595 0.293 -1.439 1.00 0.00 N ATOM 188 CA PHE A 10 -5.724 -0.416 -1.935 1.00 0.00 C ATOM 189 C PHE A 10 -6.876 -0.362 -0.929 1.00 0.00 C ATOM 190 O PHE A 10 -8.026 -0.133 -1.303 1.00 0.00 O ATOM 191 CB PHE A 10 -5.202 -1.832 -2.133 1.00 0.00 C ATOM 192 CG PHE A 10 -6.184 -2.824 -2.660 1.00 0.00 C ATOM 193 CD1 PHE A 10 -7.060 -2.502 -3.679 1.00 0.00 C ATOM 194 CD2 PHE A 10 -6.214 -4.096 -2.126 1.00 0.00 C ATOM 195 CE1 PHE A 10 -7.956 -3.440 -4.154 1.00 0.00 C ATOM 196 CE2 PHE A 10 -7.099 -5.036 -2.591 1.00 0.00 C ATOM 197 CZ PHE A 10 -7.976 -4.712 -3.609 1.00 0.00 C ATOM 0 H PHE A 10 -4.473 0.211 -0.430 1.00 0.00 H new ATOM 0 HA PHE A 10 -6.128 0.002 -2.857 1.00 0.00 H new ATOM 0 HB2 PHE A 10 -4.353 -1.793 -2.816 1.00 0.00 H new ATOM 0 HB3 PHE A 10 -4.825 -2.196 -1.177 1.00 0.00 H new ATOM 0 HD1 PHE A 10 -7.044 -1.510 -4.107 1.00 0.00 H new ATOM 0 HD2 PHE A 10 -5.531 -4.356 -1.331 1.00 0.00 H new ATOM 0 HE1 PHE A 10 -8.640 -3.181 -4.949 1.00 0.00 H new ATOM 0 HE2 PHE A 10 -7.110 -6.027 -2.162 1.00 0.00 H new ATOM 0 HZ PHE A 10 -8.674 -5.449 -3.978 1.00 0.00 H new ATOM 207 N LEU A 11 -6.555 -0.554 0.355 1.00 0.00 N ATOM 208 CA LEU A 11 -7.572 -0.502 1.407 1.00 0.00 C ATOM 209 C LEU A 11 -7.874 0.947 1.781 1.00 0.00 C ATOM 210 O LEU A 11 -8.930 1.246 2.341 1.00 0.00 O ATOM 211 CB LEU A 11 -7.149 -1.299 2.654 1.00 0.00 C ATOM 212 CG LEU A 11 -6.241 -0.578 3.652 1.00 0.00 C ATOM 213 CD1 LEU A 11 -6.218 -1.322 4.978 1.00 0.00 C ATOM 214 CD2 LEU A 11 -4.846 -0.475 3.089 1.00 0.00 C ATOM 0 H LEU A 11 -5.610 -0.745 0.687 1.00 0.00 H new ATOM 0 HA LEU A 11 -8.476 -0.966 1.013 1.00 0.00 H new ATOM 0 HB2 LEU A 11 -8.051 -1.614 3.179 1.00 0.00 H new ATOM 0 HB3 LEU A 11 -6.640 -2.205 2.323 1.00 0.00 H new ATOM 0 HG LEU A 11 -6.631 0.425 3.825 1.00 0.00 H new ATOM 0 HD11 LEU A 11 -5.568 -0.797 5.678 1.00 0.00 H new ATOM 0 HD12 LEU A 11 -7.228 -1.370 5.386 1.00 0.00 H new ATOM 0 HD13 LEU A 11 -5.842 -2.333 4.821 1.00 0.00 H new ATOM 0 HD21 LEU A 11 -4.203 0.039 3.803 1.00 0.00 H new ATOM 0 HD22 LEU A 11 -4.454 -1.475 2.902 1.00 0.00 H new ATOM 0 HD23 LEU A 11 -4.871 0.085 2.154 1.00 0.00 H new ATOM 226 N ARG A 12 -6.937 1.844 1.465 1.00 0.00 N ATOM 227 CA ARG A 12 -7.096 3.267 1.763 1.00 0.00 C ATOM 228 C ARG A 12 -8.443 3.781 1.267 1.00 0.00 C ATOM 229 O ARG A 12 -9.118 4.546 1.957 1.00 0.00 O ATOM 230 CB ARG A 12 -5.974 4.084 1.114 1.00 0.00 C ATOM 231 CG ARG A 12 -4.583 3.749 1.629 1.00 0.00 C ATOM 232 CD ARG A 12 -3.530 4.648 1.000 1.00 0.00 C ATOM 233 NE ARG A 12 -3.718 6.050 1.363 1.00 0.00 N ATOM 234 CZ ARG A 12 -2.912 7.030 0.964 1.00 0.00 C ATOM 235 NH1 ARG A 12 -1.868 6.763 0.191 1.00 0.00 N ATOM 236 NH2 ARG A 12 -3.152 8.280 1.337 1.00 0.00 N ATOM 0 H ARG A 12 -6.059 1.608 1.002 1.00 0.00 H new ATOM 0 HA ARG A 12 -7.048 3.384 2.846 1.00 0.00 H new ATOM 0 HB2 ARG A 12 -5.999 3.923 0.036 1.00 0.00 H new ATOM 0 HB3 ARG A 12 -6.167 5.144 1.283 1.00 0.00 H new ATOM 0 HG2 ARG A 12 -4.558 3.859 2.713 1.00 0.00 H new ATOM 0 HG3 ARG A 12 -4.353 2.707 1.409 1.00 0.00 H new ATOM 0 HD2 ARG A 12 -2.539 4.322 1.316 1.00 0.00 H new ATOM 0 HD3 ARG A 12 -3.568 4.546 -0.085 1.00 0.00 H new ATOM 0 HE ARG A 12 -4.512 6.291 1.956 1.00 0.00 H new ATOM 0 HH11 ARG A 12 -1.681 5.803 -0.100 1.00 0.00 H new ATOM 0 HH12 ARG A 12 -1.252 7.517 -0.113 1.00 0.00 H new ATOM 0 HH21 ARG A 12 -3.955 8.490 1.930 1.00 0.00 H new ATOM 0 HH22 ARG A 12 -2.534 9.031 1.031 1.00 0.00 H new ATOM 250 N ARG A 13 -8.824 3.359 0.065 1.00 0.00 N ATOM 251 CA ARG A 13 -10.089 3.780 -0.528 1.00 0.00 C ATOM 252 C ARG A 13 -10.427 2.943 -1.758 1.00 0.00 C ATOM 253 O ARG A 13 -11.579 3.032 -2.230 1.00 0.00 O ATOM 254 CB ARG A 13 -10.036 5.271 -0.889 1.00 0.00 C ATOM 255 CG ARG A 13 -8.788 5.686 -1.662 1.00 0.00 C ATOM 256 CD ARG A 13 -8.769 5.112 -3.070 1.00 0.00 C ATOM 257 NE ARG A 13 -7.569 5.502 -3.805 1.00 0.00 N ATOM 258 CZ ARG A 13 -7.312 5.123 -5.053 1.00 0.00 C ATOM 259 NH1 ARG A 13 -8.169 4.347 -5.706 1.00 0.00 N ATOM 260 NH2 ARG A 13 -6.197 5.519 -5.651 1.00 0.00 N ATOM 0 H ARG A 13 -8.275 2.726 -0.517 1.00 0.00 H new ATOM 0 HA ARG A 13 -10.877 3.624 0.208 1.00 0.00 H new ATOM 0 HB2 ARG A 13 -10.916 5.521 -1.482 1.00 0.00 H new ATOM 0 HB3 ARG A 13 -10.093 5.857 0.028 1.00 0.00 H new ATOM 0 HG2 ARG A 13 -8.739 6.774 -1.714 1.00 0.00 H new ATOM 0 HG3 ARG A 13 -7.901 5.353 -1.123 1.00 0.00 H new ATOM 0 HD2 ARG A 13 -8.825 4.025 -3.019 1.00 0.00 H new ATOM 0 HD3 ARG A 13 -9.652 5.451 -3.612 1.00 0.00 H new ATOM 0 HE ARG A 13 -6.889 6.099 -3.334 1.00 0.00 H new ATOM 0 HH11 ARG A 13 -9.028 4.040 -5.250 1.00 0.00 H new ATOM 0 HH12 ARG A 13 -7.968 4.058 -6.663 1.00 0.00 H new ATOM 0 HH21 ARG A 13 -5.535 6.115 -5.153 1.00 0.00 H new ATOM 0 HH22 ARG A 13 -6.001 5.228 -6.609 1.00 0.00 H new HETATM 274 N NH2 A 14 -9.694 1.870 -2.035 1.00 0.00 N TER 277 NH2 A 14