USER MOD reduce.3.24.130724 H: found=0, std=0, add=134, rem=0, adj=1 USER MOD reduce.3.24.130724 removed 136 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+ 177:sc= -0.479 (180deg=-0.509) USER MOD ----------------------------------------------------------------- ATOM 1 N VAL A 1 6.184 -2.525 6.930 1.00 0.00 N ATOM 2 CA VAL A 1 5.588 -1.613 5.920 1.00 0.00 C ATOM 3 C VAL A 1 6.640 -0.680 5.328 1.00 0.00 C ATOM 4 O VAL A 1 7.428 -0.070 6.052 1.00 0.00 O ATOM 5 CB VAL A 1 4.452 -0.768 6.531 1.00 0.00 C ATOM 6 CG1 VAL A 1 3.287 -1.657 6.937 1.00 0.00 C ATOM 7 CG2 VAL A 1 4.958 0.031 7.723 1.00 0.00 C ATOM 0 H1 VAL A 1 5.436 -3.112 7.351 1.00 0.00 H new ATOM 0 H2 VAL A 1 6.889 -3.138 6.472 1.00 0.00 H new ATOM 0 H3 VAL A 1 6.645 -1.964 7.675 1.00 0.00 H new ATOM 0 HA VAL A 1 5.180 -2.241 5.128 1.00 0.00 H new ATOM 0 HB VAL A 1 4.102 -0.066 5.775 1.00 0.00 H new ATOM 0 HG11 VAL A 1 2.494 -1.044 7.366 1.00 0.00 H new ATOM 0 HG12 VAL A 1 2.906 -2.181 6.060 1.00 0.00 H new ATOM 0 HG13 VAL A 1 3.624 -2.384 7.676 1.00 0.00 H new ATOM 0 HG21 VAL A 1 4.141 0.620 8.139 1.00 0.00 H new ATOM 0 HG22 VAL A 1 5.338 -0.651 8.484 1.00 0.00 H new ATOM 0 HG23 VAL A 1 5.758 0.697 7.401 1.00 0.00 H new ATOM 19 N ARG A 2 6.639 -0.576 4.003 1.00 0.00 N ATOM 20 CA ARG A 2 7.580 0.281 3.289 1.00 0.00 C ATOM 21 C ARG A 2 7.250 0.302 1.803 1.00 0.00 C ATOM 22 O ARG A 2 6.854 1.334 1.261 1.00 0.00 O ATOM 23 CB ARG A 2 9.019 -0.203 3.501 1.00 0.00 C ATOM 24 CG ARG A 2 10.044 0.521 2.638 1.00 0.00 C ATOM 25 CD ARG A 2 9.937 2.030 2.785 1.00 0.00 C ATOM 26 NE ARG A 2 10.996 2.728 2.061 1.00 0.00 N ATOM 27 CZ ARG A 2 11.127 4.051 2.041 1.00 0.00 C ATOM 28 NH1 ARG A 2 10.269 4.816 2.702 1.00 0.00 N ATOM 29 NH2 ARG A 2 12.119 4.609 1.362 1.00 0.00 N ATOM 0 H ARG A 2 5.991 -1.079 3.397 1.00 0.00 H new ATOM 0 HA ARG A 2 7.492 1.293 3.686 1.00 0.00 H new ATOM 0 HB2 ARG A 2 9.285 -0.074 4.550 1.00 0.00 H new ATOM 0 HB3 ARG A 2 9.068 -1.271 3.289 1.00 0.00 H new ATOM 0 HG2 ARG A 2 11.047 0.198 2.917 1.00 0.00 H new ATOM 0 HG3 ARG A 2 9.899 0.246 1.593 1.00 0.00 H new ATOM 0 HD2 ARG A 2 8.966 2.362 2.416 1.00 0.00 H new ATOM 0 HD3 ARG A 2 9.984 2.295 3.841 1.00 0.00 H new ATOM 0 HE ARG A 2 11.673 2.169 1.542 1.00 0.00 H new ATOM 0 HH11 ARG A 2 9.506 4.390 3.228 1.00 0.00 H new ATOM 0 HH12 ARG A 2 10.372 5.831 2.685 1.00 0.00 H new ATOM 0 HH21 ARG A 2 12.782 4.023 0.854 1.00 0.00 H new ATOM 0 HH22 ARG A 2 12.219 5.624 1.347 1.00 0.00 H new ATOM 43 N ARG A 3 7.390 -0.848 1.156 1.00 0.00 N ATOM 44 CA ARG A 3 7.079 -0.961 -0.260 1.00 0.00 C ATOM 45 C ARG A 3 5.609 -1.307 -0.430 1.00 0.00 C ATOM 46 O ARG A 3 5.068 -2.123 0.317 1.00 0.00 O ATOM 47 CB ARG A 3 7.959 -2.015 -0.933 1.00 0.00 C ATOM 48 CG ARG A 3 9.452 -1.732 -0.828 1.00 0.00 C ATOM 49 CD ARG A 3 9.870 -0.544 -1.685 1.00 0.00 C ATOM 50 NE ARG A 3 9.310 0.718 -1.205 1.00 0.00 N ATOM 51 CZ ARG A 3 9.512 1.889 -1.803 1.00 0.00 C ATOM 52 NH1 ARG A 3 10.252 1.958 -2.902 1.00 0.00 N ATOM 53 NH2 ARG A 3 8.972 2.993 -1.304 1.00 0.00 N ATOM 0 H ARG A 3 7.716 -1.712 1.589 1.00 0.00 H new ATOM 0 HA ARG A 3 7.282 -0.004 -0.741 1.00 0.00 H new ATOM 0 HB2 ARG A 3 7.751 -2.987 -0.486 1.00 0.00 H new ATOM 0 HB3 ARG A 3 7.686 -2.084 -1.986 1.00 0.00 H new ATOM 0 HG2 ARG A 3 9.712 -1.537 0.213 1.00 0.00 H new ATOM 0 HG3 ARG A 3 10.011 -2.616 -1.136 1.00 0.00 H new ATOM 0 HD2 ARG A 3 10.958 -0.474 -1.697 1.00 0.00 H new ATOM 0 HD3 ARG A 3 9.550 -0.712 -2.713 1.00 0.00 H new ATOM 0 HE ARG A 3 8.732 0.700 -0.365 1.00 0.00 H new ATOM 0 HH11 ARG A 3 10.668 1.112 -3.291 1.00 0.00 H new ATOM 0 HH12 ARG A 3 10.405 2.857 -3.358 1.00 0.00 H new ATOM 0 HH21 ARG A 3 8.401 2.945 -0.460 1.00 0.00 H new ATOM 0 HH22 ARG A 3 9.128 3.890 -1.764 1.00 0.00 H new ATOM 67 N PHE A 4 4.964 -0.662 -1.392 1.00 0.00 N ATOM 68 CA PHE A 4 3.541 -0.879 -1.642 1.00 0.00 C ATOM 69 C PHE A 4 3.173 -2.357 -1.562 1.00 0.00 C ATOM 70 O PHE A 4 3.848 -3.213 -2.133 1.00 0.00 O ATOM 71 CB PHE A 4 3.115 -0.333 -3.006 1.00 0.00 C ATOM 72 CG PHE A 4 4.118 0.587 -3.647 1.00 0.00 C ATOM 73 CD1 PHE A 4 5.279 0.077 -4.208 1.00 0.00 C ATOM 74 CD2 PHE A 4 3.907 1.956 -3.680 1.00 0.00 C ATOM 75 CE1 PHE A 4 6.210 0.913 -4.789 1.00 0.00 C ATOM 76 CE2 PHE A 4 4.836 2.798 -4.262 1.00 0.00 C ATOM 77 CZ PHE A 4 5.989 2.274 -4.816 1.00 0.00 C ATOM 0 H PHE A 4 5.402 0.017 -2.014 1.00 0.00 H new ATOM 0 HA PHE A 4 3.009 -0.337 -0.860 1.00 0.00 H new ATOM 0 HB2 PHE A 4 2.928 -1.171 -3.677 1.00 0.00 H new ATOM 0 HB3 PHE A 4 2.171 0.201 -2.892 1.00 0.00 H new ATOM 0 HD1 PHE A 4 5.457 -0.988 -4.190 1.00 0.00 H new ATOM 0 HD2 PHE A 4 3.008 2.369 -3.247 1.00 0.00 H new ATOM 0 HE1 PHE A 4 7.110 0.502 -5.222 1.00 0.00 H new ATOM 0 HE2 PHE A 4 4.661 3.864 -4.284 1.00 0.00 H new ATOM 0 HZ PHE A 4 6.717 2.930 -5.270 1.00 0.00 H new ATOM 87 N PRO A 5 2.081 -2.664 -0.847 1.00 0.00 N ATOM 88 CA PRO A 5 1.593 -4.026 -0.680 1.00 0.00 C ATOM 89 C PRO A 5 0.719 -4.468 -1.856 1.00 0.00 C ATOM 90 O PRO A 5 1.229 -4.882 -2.898 1.00 0.00 O ATOM 91 CB PRO A 5 0.788 -3.931 0.620 1.00 0.00 C ATOM 92 CG PRO A 5 0.260 -2.531 0.643 1.00 0.00 C ATOM 93 CD PRO A 5 1.227 -1.687 -0.150 1.00 0.00 C ATOM 0 HA PRO A 5 2.391 -4.768 -0.644 1.00 0.00 H new ATOM 0 HB2 PRO A 5 -0.023 -4.660 0.637 1.00 0.00 H new ATOM 0 HB3 PRO A 5 1.415 -4.131 1.489 1.00 0.00 H new ATOM 0 HG2 PRO A 5 -0.738 -2.487 0.208 1.00 0.00 H new ATOM 0 HG3 PRO A 5 0.178 -2.166 1.667 1.00 0.00 H new ATOM 0 HD2 PRO A 5 0.704 -1.041 -0.856 1.00 0.00 H new ATOM 0 HD3 PRO A 5 1.814 -1.039 0.500 1.00 0.00 H new ATOM 101 N TRP A 6 -0.596 -4.373 -1.679 1.00 0.00 N ATOM 102 CA TRP A 6 -1.555 -4.754 -2.712 1.00 0.00 C ATOM 103 C TRP A 6 -2.964 -4.415 -2.244 1.00 0.00 C ATOM 104 O TRP A 6 -3.806 -3.960 -3.018 1.00 0.00 O ATOM 105 CB TRP A 6 -1.435 -6.246 -3.021 1.00 0.00 C ATOM 106 CG TRP A 6 -1.582 -7.114 -1.809 1.00 0.00 C ATOM 107 CD1 TRP A 6 -0.663 -7.294 -0.814 1.00 0.00 C ATOM 108 CD2 TRP A 6 -2.709 -7.929 -1.468 1.00 0.00 C ATOM 109 NE1 TRP A 6 -1.153 -8.167 0.127 1.00 0.00 N ATOM 110 CE2 TRP A 6 -2.406 -8.572 -0.252 1.00 0.00 C ATOM 111 CE3 TRP A 6 -3.945 -8.176 -2.071 1.00 0.00 C ATOM 112 CZ2 TRP A 6 -3.295 -9.445 0.370 1.00 0.00 C ATOM 113 CZ3 TRP A 6 -4.826 -9.043 -1.452 1.00 0.00 C ATOM 114 CH2 TRP A 6 -4.498 -9.668 -0.243 1.00 0.00 C ATOM 0 H TRP A 6 -1.026 -4.031 -0.819 1.00 0.00 H new ATOM 0 HA TRP A 6 -1.341 -4.200 -3.626 1.00 0.00 H new ATOM 0 HB2 TRP A 6 -2.196 -6.521 -3.751 1.00 0.00 H new ATOM 0 HB3 TRP A 6 -0.466 -6.438 -3.482 1.00 0.00 H new ATOM 0 HD1 TRP A 6 0.306 -6.820 -0.773 1.00 0.00 H new ATOM 0 HE1 TRP A 6 -0.664 -8.465 0.971 1.00 0.00 H new ATOM 0 HE3 TRP A 6 -4.207 -7.698 -3.003 1.00 0.00 H new ATOM 0 HZ2 TRP A 6 -3.044 -9.929 1.303 1.00 0.00 H new ATOM 0 HZ3 TRP A 6 -5.784 -9.242 -1.909 1.00 0.00 H new ATOM 0 HH2 TRP A 6 -5.209 -10.340 0.215 1.00 0.00 H new ATOM 125 N TRP A 7 -3.190 -4.632 -0.956 1.00 0.00 N ATOM 126 CA TRP A 7 -4.469 -4.350 -0.320 1.00 0.00 C ATOM 127 C TRP A 7 -4.635 -2.854 -0.071 1.00 0.00 C ATOM 128 O TRP A 7 -5.624 -2.428 0.525 1.00 0.00 O ATOM 129 CB TRP A 7 -4.535 -5.097 1.019 1.00 0.00 C ATOM 130 CG TRP A 7 -3.305 -4.883 1.861 1.00 0.00 C ATOM 131 CD1 TRP A 7 -2.358 -5.814 2.178 1.00 0.00 C ATOM 132 CD2 TRP A 7 -2.886 -3.660 2.485 1.00 0.00 C ATOM 133 NE1 TRP A 7 -1.367 -5.240 2.940 1.00 0.00 N ATOM 134 CE2 TRP A 7 -1.671 -3.920 3.145 1.00 0.00 C ATOM 135 CE3 TRP A 7 -3.415 -2.370 2.545 1.00 0.00 C ATOM 136 CZ2 TRP A 7 -0.982 -2.933 3.849 1.00 0.00 C ATOM 137 CZ3 TRP A 7 -2.733 -1.397 3.239 1.00 0.00 C ATOM 138 CH2 TRP A 7 -1.529 -1.681 3.881 1.00 0.00 C ATOM 0 H TRP A 7 -2.488 -5.010 -0.320 1.00 0.00 H new ATOM 0 HA TRP A 7 -5.270 -4.681 -0.981 1.00 0.00 H new ATOM 0 HB2 TRP A 7 -5.413 -4.765 1.573 1.00 0.00 H new ATOM 0 HB3 TRP A 7 -4.661 -6.163 0.831 1.00 0.00 H new ATOM 0 HD1 TRP A 7 -2.383 -6.850 1.875 1.00 0.00 H new ATOM 0 HE1 TRP A 7 -0.540 -5.720 3.295 1.00 0.00 H new ATOM 0 HE3 TRP A 7 -4.348 -2.138 2.053 1.00 0.00 H new ATOM 0 HZ2 TRP A 7 -0.050 -3.150 4.350 1.00 0.00 H new ATOM 0 HZ3 TRP A 7 -3.137 -0.397 3.287 1.00 0.00 H new ATOM 0 HH2 TRP A 7 -1.017 -0.894 4.415 1.00 0.00 H new ATOM 149 N TRP A 8 -3.636 -2.068 -0.483 1.00 0.00 N ATOM 150 CA TRP A 8 -3.640 -0.627 -0.258 1.00 0.00 C ATOM 151 C TRP A 8 -4.851 0.074 -0.857 1.00 0.00 C ATOM 152 O TRP A 8 -5.961 -0.457 -0.858 1.00 0.00 O ATOM 153 CB TRP A 8 -2.343 -0.009 -0.791 1.00 0.00 C ATOM 154 CG TRP A 8 -1.927 -0.525 -2.135 1.00 0.00 C ATOM 155 CD1 TRP A 8 -1.068 -1.550 -2.362 1.00 0.00 C ATOM 156 CD2 TRP A 8 -2.306 -0.029 -3.427 1.00 0.00 C ATOM 157 NE1 TRP A 8 -0.909 -1.754 -3.707 1.00 0.00 N ATOM 158 CE2 TRP A 8 -1.654 -0.831 -4.384 1.00 0.00 C ATOM 159 CE3 TRP A 8 -3.138 1.001 -3.871 1.00 0.00 C ATOM 160 CZ2 TRP A 8 -1.806 -0.635 -5.751 1.00 0.00 C ATOM 161 CZ3 TRP A 8 -3.286 1.197 -5.231 1.00 0.00 C ATOM 162 CH2 TRP A 8 -2.624 0.382 -6.157 1.00 0.00 C ATOM 0 H TRP A 8 -2.812 -2.412 -0.976 1.00 0.00 H new ATOM 0 HA TRP A 8 -3.704 -0.478 0.820 1.00 0.00 H new ATOM 0 HB2 TRP A 8 -2.466 1.072 -0.851 1.00 0.00 H new ATOM 0 HB3 TRP A 8 -1.542 -0.199 -0.077 1.00 0.00 H new ATOM 0 HD1 TRP A 8 -0.578 -2.125 -1.590 1.00 0.00 H new ATOM 0 HE1 TRP A 8 -0.329 -2.477 -4.133 1.00 0.00 H new ATOM 0 HE3 TRP A 8 -3.656 1.633 -3.165 1.00 0.00 H new ATOM 0 HZ2 TRP A 8 -1.296 -1.263 -6.467 1.00 0.00 H new ATOM 0 HZ3 TRP A 8 -3.924 1.993 -5.586 1.00 0.00 H new ATOM 0 HH2 TRP A 8 -2.762 0.560 -7.213 1.00 0.00 H new ATOM 173 N ALA A 9 -4.615 1.293 -1.331 1.00 0.00 N ATOM 174 CA ALA A 9 -5.662 2.131 -1.911 1.00 0.00 C ATOM 175 C ALA A 9 -6.461 2.822 -0.812 1.00 0.00 C ATOM 176 O ALA A 9 -7.113 3.839 -1.050 1.00 0.00 O ATOM 177 CB ALA A 9 -6.581 1.328 -2.823 1.00 0.00 C ATOM 0 H ALA A 9 -3.693 1.729 -1.325 1.00 0.00 H new ATOM 0 HA ALA A 9 -5.178 2.893 -2.522 1.00 0.00 H new ATOM 0 HB1 ALA A 9 -7.347 1.984 -3.236 1.00 0.00 H new ATOM 0 HB2 ALA A 9 -5.998 0.894 -3.635 1.00 0.00 H new ATOM 0 HB3 ALA A 9 -7.056 0.531 -2.251 1.00 0.00 H new ATOM 183 N PHE A 10 -6.394 2.266 0.395 1.00 0.00 N ATOM 184 CA PHE A 10 -7.097 2.829 1.539 1.00 0.00 C ATOM 185 C PHE A 10 -6.257 3.921 2.187 1.00 0.00 C ATOM 186 O PHE A 10 -6.721 5.042 2.397 1.00 0.00 O ATOM 187 CB PHE A 10 -7.402 1.729 2.560 1.00 0.00 C ATOM 188 CG PHE A 10 -8.251 2.189 3.714 1.00 0.00 C ATOM 189 CD1 PHE A 10 -9.395 2.943 3.495 1.00 0.00 C ATOM 190 CD2 PHE A 10 -7.908 1.864 5.016 1.00 0.00 C ATOM 191 CE1 PHE A 10 -10.177 3.365 4.553 1.00 0.00 C ATOM 192 CE2 PHE A 10 -8.687 2.283 6.079 1.00 0.00 C ATOM 193 CZ PHE A 10 -9.823 3.034 5.847 1.00 0.00 C ATOM 0 H PHE A 10 -5.858 1.424 0.604 1.00 0.00 H new ATOM 0 HA PHE A 10 -8.035 3.264 1.195 1.00 0.00 H new ATOM 0 HB2 PHE A 10 -7.908 0.907 2.054 1.00 0.00 H new ATOM 0 HB3 PHE A 10 -6.462 1.335 2.947 1.00 0.00 H new ATOM 0 HD1 PHE A 10 -9.678 3.203 2.486 1.00 0.00 H new ATOM 0 HD2 PHE A 10 -7.021 1.276 5.203 1.00 0.00 H new ATOM 0 HE1 PHE A 10 -11.064 3.953 4.369 1.00 0.00 H new ATOM 0 HE2 PHE A 10 -8.408 2.023 7.089 1.00 0.00 H new ATOM 0 HZ PHE A 10 -10.433 3.362 6.676 1.00 0.00 H new ATOM 203 N LEU A 11 -5.012 3.576 2.497 1.00 0.00 N ATOM 204 CA LEU A 11 -4.084 4.507 3.119 1.00 0.00 C ATOM 205 C LEU A 11 -2.980 4.910 2.147 1.00 0.00 C ATOM 206 O LEU A 11 -2.654 6.090 2.017 1.00 0.00 O ATOM 207 CB LEU A 11 -3.475 3.891 4.380 1.00 0.00 C ATOM 208 CG LEU A 11 -2.970 2.450 4.244 1.00 0.00 C ATOM 209 CD1 LEU A 11 -1.979 2.132 5.350 1.00 0.00 C ATOM 210 CD2 LEU A 11 -4.136 1.474 4.290 1.00 0.00 C ATOM 0 H LEU A 11 -4.622 2.649 2.325 1.00 0.00 H new ATOM 0 HA LEU A 11 -4.640 5.402 3.396 1.00 0.00 H new ATOM 0 HB2 LEU A 11 -2.644 4.518 4.702 1.00 0.00 H new ATOM 0 HB3 LEU A 11 -4.222 3.920 5.173 1.00 0.00 H new ATOM 0 HG LEU A 11 -2.467 2.349 3.282 1.00 0.00 H new ATOM 0 HD11 LEU A 11 -1.629 1.106 5.241 1.00 0.00 H new ATOM 0 HD12 LEU A 11 -1.131 2.814 5.286 1.00 0.00 H new ATOM 0 HD13 LEU A 11 -2.465 2.248 6.319 1.00 0.00 H new ATOM 0 HD21 LEU A 11 -3.762 0.455 4.192 1.00 0.00 H new ATOM 0 HD22 LEU A 11 -4.661 1.578 5.240 1.00 0.00 H new ATOM 0 HD23 LEU A 11 -4.823 1.688 3.471 1.00 0.00 H new ATOM 222 N ARG A 12 -2.412 3.921 1.466 1.00 0.00 N ATOM 223 CA ARG A 12 -1.347 4.166 0.501 1.00 0.00 C ATOM 224 C ARG A 12 -1.810 5.119 -0.597 1.00 0.00 C ATOM 225 O ARG A 12 -1.143 6.112 -0.892 1.00 0.00 O ATOM 226 CB ARG A 12 -0.878 2.838 -0.099 1.00 0.00 C ATOM 227 CG ARG A 12 -0.127 2.978 -1.406 1.00 0.00 C ATOM 228 CD ARG A 12 0.679 1.733 -1.727 1.00 0.00 C ATOM 229 NE ARG A 12 1.649 1.427 -0.678 1.00 0.00 N ATOM 230 CZ ARG A 12 2.668 2.222 -0.355 1.00 0.00 C ATOM 231 NH1 ARG A 12 2.864 3.358 -1.010 1.00 0.00 N ATOM 232 NH2 ARG A 12 3.494 1.876 0.623 1.00 0.00 N ATOM 0 H ARG A 12 -2.672 2.940 1.565 1.00 0.00 H new ATOM 0 HA ARG A 12 -0.511 4.638 1.017 1.00 0.00 H new ATOM 0 HB2 ARG A 12 -0.237 2.332 0.623 1.00 0.00 H new ATOM 0 HB3 ARG A 12 -1.746 2.198 -0.258 1.00 0.00 H new ATOM 0 HG2 ARG A 12 -0.834 3.172 -2.213 1.00 0.00 H new ATOM 0 HG3 ARG A 12 0.539 3.839 -1.352 1.00 0.00 H new ATOM 0 HD2 ARG A 12 0.004 0.887 -1.856 1.00 0.00 H new ATOM 0 HD3 ARG A 12 1.200 1.872 -2.674 1.00 0.00 H new ATOM 0 HE ARG A 12 1.540 0.553 -0.163 1.00 0.00 H new ATOM 0 HH11 ARG A 12 2.233 3.627 -1.765 1.00 0.00 H new ATOM 0 HH12 ARG A 12 3.646 3.963 -0.759 1.00 0.00 H new ATOM 0 HH21 ARG A 12 3.349 1.001 1.128 1.00 0.00 H new ATOM 0 HH22 ARG A 12 4.274 2.484 0.871 1.00 0.00 H new ATOM 246 N ARG A 13 -2.957 4.818 -1.192 1.00 0.00 N ATOM 247 CA ARG A 13 -3.513 5.656 -2.250 1.00 0.00 C ATOM 248 C ARG A 13 -4.611 6.565 -1.707 1.00 0.00 C ATOM 249 O ARG A 13 -4.542 7.785 -1.963 1.00 0.00 O ATOM 250 CB ARG A 13 -4.060 4.793 -3.390 1.00 0.00 C ATOM 251 CG ARG A 13 -3.187 4.792 -4.638 1.00 0.00 C ATOM 252 CD ARG A 13 -1.776 4.305 -4.347 1.00 0.00 C ATOM 253 NE ARG A 13 -0.955 4.269 -5.555 1.00 0.00 N ATOM 254 CZ ARG A 13 0.333 3.939 -5.566 1.00 0.00 C ATOM 255 NH1 ARG A 13 0.953 3.638 -4.433 1.00 0.00 N ATOM 256 NH2 ARG A 13 1.003 3.915 -6.709 1.00 0.00 N ATOM 0 H ARG A 13 -3.521 4.000 -0.961 1.00 0.00 H new ATOM 0 HA ARG A 13 -2.709 6.282 -2.638 1.00 0.00 H new ATOM 0 HB2 ARG A 13 -4.171 3.768 -3.036 1.00 0.00 H new ATOM 0 HB3 ARG A 13 -5.056 5.148 -3.656 1.00 0.00 H new ATOM 0 HG2 ARG A 13 -3.641 4.155 -5.397 1.00 0.00 H new ATOM 0 HG3 ARG A 13 -3.145 5.800 -5.051 1.00 0.00 H new ATOM 0 HD2 ARG A 13 -1.310 4.959 -3.610 1.00 0.00 H new ATOM 0 HD3 ARG A 13 -1.819 3.309 -3.907 1.00 0.00 H new ATOM 0 HE ARG A 13 -1.396 4.511 -6.442 1.00 0.00 H new ATOM 0 HH11 ARG A 13 0.442 3.659 -3.551 1.00 0.00 H new ATOM 0 HH12 ARG A 13 1.941 3.385 -4.444 1.00 0.00 H new ATOM 0 HH21 ARG A 13 0.531 4.150 -7.582 1.00 0.00 H new ATOM 0 HH22 ARG A 13 1.991 3.662 -6.716 1.00 0.00 H new HETATM 270 N NH2 A 14 -4.935 6.495 -0.422 1.00 0.00 N TER 273 NH2 A 14