USER MOD reduce.3.24.130724 H: found=0, std=0, add=132, rem=0, adj=1 USER MOD reduce.3.24.130724 removed 134 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= -1.09 (180deg=-1.34) USER MOD ----------------------------------------------------------------- ATOM 1 N VAL A 1 5.117 -5.326 2.538 1.00 0.00 N ATOM 2 CA VAL A 1 6.043 -5.044 1.411 1.00 0.00 C ATOM 3 C VAL A 1 6.871 -3.791 1.678 1.00 0.00 C ATOM 4 O VAL A 1 7.028 -3.375 2.827 1.00 0.00 O ATOM 5 CB VAL A 1 5.266 -4.867 0.090 1.00 0.00 C ATOM 6 CG1 VAL A 1 4.638 -6.185 -0.338 1.00 0.00 C ATOM 7 CG2 VAL A 1 4.202 -3.785 0.232 1.00 0.00 C ATOM 0 H1 VAL A 1 4.641 -6.236 2.377 1.00 0.00 H new ATOM 0 H2 VAL A 1 5.655 -5.370 3.427 1.00 0.00 H new ATOM 0 H3 VAL A 1 4.406 -4.570 2.601 1.00 0.00 H new ATOM 0 HA VAL A 1 6.713 -5.900 1.322 1.00 0.00 H new ATOM 0 HB VAL A 1 5.968 -4.554 -0.683 1.00 0.00 H new ATOM 0 HG11 VAL A 1 4.094 -6.042 -1.272 1.00 0.00 H new ATOM 0 HG12 VAL A 1 5.420 -6.930 -0.484 1.00 0.00 H new ATOM 0 HG13 VAL A 1 3.950 -6.528 0.435 1.00 0.00 H new ATOM 0 HG21 VAL A 1 3.666 -3.676 -0.711 1.00 0.00 H new ATOM 0 HG22 VAL A 1 3.501 -4.065 1.018 1.00 0.00 H new ATOM 0 HG23 VAL A 1 4.677 -2.839 0.490 1.00 0.00 H new ATOM 19 N ARG A 2 7.395 -3.189 0.613 1.00 0.00 N ATOM 20 CA ARG A 2 8.201 -1.979 0.738 1.00 0.00 C ATOM 21 C ARG A 2 7.316 -0.798 1.138 1.00 0.00 C ATOM 22 O ARG A 2 6.550 -0.889 2.097 1.00 0.00 O ATOM 23 CB ARG A 2 8.930 -1.688 -0.578 1.00 0.00 C ATOM 24 CG ARG A 2 9.776 -2.849 -1.084 1.00 0.00 C ATOM 25 CD ARG A 2 10.856 -3.238 -0.086 1.00 0.00 C ATOM 26 NE ARG A 2 11.769 -2.133 0.196 1.00 0.00 N ATOM 27 CZ ARG A 2 12.577 -1.588 -0.710 1.00 0.00 C ATOM 28 NH1 ARG A 2 12.604 -2.056 -1.952 1.00 0.00 N ATOM 29 NH2 ARG A 2 13.365 -0.577 -0.374 1.00 0.00 N ATOM 0 H ARG A 2 7.276 -3.519 -0.345 1.00 0.00 H new ATOM 0 HA ARG A 2 8.948 -2.131 1.517 1.00 0.00 H new ATOM 0 HB2 ARG A 2 8.195 -1.428 -1.340 1.00 0.00 H new ATOM 0 HB3 ARG A 2 9.570 -0.816 -0.442 1.00 0.00 H new ATOM 0 HG2 ARG A 2 9.134 -3.708 -1.279 1.00 0.00 H new ATOM 0 HG3 ARG A 2 10.239 -2.575 -2.032 1.00 0.00 H new ATOM 0 HD2 ARG A 2 10.389 -3.568 0.842 1.00 0.00 H new ATOM 0 HD3 ARG A 2 11.422 -4.084 -0.476 1.00 0.00 H new ATOM 0 HE ARG A 2 11.788 -1.757 1.144 1.00 0.00 H new ATOM 0 HH11 ARG A 2 12.003 -2.837 -2.216 1.00 0.00 H new ATOM 0 HH12 ARG A 2 13.225 -1.634 -2.642 1.00 0.00 H new ATOM 0 HH21 ARG A 2 13.353 -0.216 0.580 1.00 0.00 H new ATOM 0 HH22 ARG A 2 13.984 -0.160 -1.069 1.00 0.00 H new ATOM 43 N ARG A 3 7.409 0.305 0.400 1.00 0.00 N ATOM 44 CA ARG A 3 6.596 1.479 0.689 1.00 0.00 C ATOM 45 C ARG A 3 5.115 1.129 0.589 1.00 0.00 C ATOM 46 O ARG A 3 4.295 1.616 1.360 1.00 0.00 O ATOM 47 CB ARG A 3 6.944 2.616 -0.273 1.00 0.00 C ATOM 48 CG ARG A 3 6.755 2.256 -1.737 1.00 0.00 C ATOM 49 CD ARG A 3 7.264 3.358 -2.653 1.00 0.00 C ATOM 50 NE ARG A 3 6.545 4.616 -2.460 1.00 0.00 N ATOM 51 CZ ARG A 3 5.258 4.784 -2.748 1.00 0.00 C ATOM 52 NH1 ARG A 3 4.550 3.780 -3.246 1.00 0.00 N ATOM 53 NH2 ARG A 3 4.678 5.958 -2.540 1.00 0.00 N ATOM 0 H ARG A 3 8.036 0.409 -0.398 1.00 0.00 H new ATOM 0 HA ARG A 3 6.807 1.811 1.705 1.00 0.00 H new ATOM 0 HB2 ARG A 3 6.325 3.482 -0.038 1.00 0.00 H new ATOM 0 HB3 ARG A 3 7.980 2.912 -0.112 1.00 0.00 H new ATOM 0 HG2 ARG A 3 7.283 1.328 -1.955 1.00 0.00 H new ATOM 0 HG3 ARG A 3 5.698 2.076 -1.935 1.00 0.00 H new ATOM 0 HD2 ARG A 3 8.327 3.518 -2.470 1.00 0.00 H new ATOM 0 HD3 ARG A 3 7.164 3.040 -3.691 1.00 0.00 H new ATOM 0 HE ARG A 3 7.061 5.411 -2.082 1.00 0.00 H new ATOM 0 HH11 ARG A 3 4.992 2.876 -3.409 1.00 0.00 H new ATOM 0 HH12 ARG A 3 3.563 3.912 -3.466 1.00 0.00 H new ATOM 0 HH21 ARG A 3 5.219 6.734 -2.159 1.00 0.00 H new ATOM 0 HH22 ARG A 3 3.691 6.085 -2.761 1.00 0.00 H new ATOM 67 N PHE A 4 4.784 0.267 -0.361 1.00 0.00 N ATOM 68 CA PHE A 4 3.405 -0.166 -0.562 1.00 0.00 C ATOM 69 C PHE A 4 2.774 -0.624 0.738 1.00 0.00 C ATOM 70 O PHE A 4 1.563 -0.564 0.915 1.00 0.00 O ATOM 71 CB PHE A 4 3.361 -1.295 -1.586 1.00 0.00 C ATOM 72 CG PHE A 4 3.731 -0.857 -2.970 1.00 0.00 C ATOM 73 CD1 PHE A 4 3.967 0.479 -3.242 1.00 0.00 C ATOM 74 CD2 PHE A 4 3.866 -1.779 -3.991 1.00 0.00 C ATOM 75 CE1 PHE A 4 4.329 0.890 -4.503 1.00 0.00 C ATOM 76 CE2 PHE A 4 4.225 -1.375 -5.260 1.00 0.00 C ATOM 77 CZ PHE A 4 4.458 -0.037 -5.519 1.00 0.00 C ATOM 0 H PHE A 4 5.453 -0.149 -1.008 1.00 0.00 H new ATOM 0 HA PHE A 4 2.834 0.686 -0.932 1.00 0.00 H new ATOM 0 HB2 PHE A 4 4.039 -2.088 -1.271 1.00 0.00 H new ATOM 0 HB3 PHE A 4 2.358 -1.721 -1.604 1.00 0.00 H new ATOM 0 HD1 PHE A 4 3.865 1.209 -2.453 1.00 0.00 H new ATOM 0 HD2 PHE A 4 3.689 -2.826 -3.793 1.00 0.00 H new ATOM 0 HE1 PHE A 4 4.512 1.936 -4.699 1.00 0.00 H new ATOM 0 HE2 PHE A 4 4.324 -2.104 -6.051 1.00 0.00 H new ATOM 0 HZ PHE A 4 4.740 0.282 -6.512 1.00 0.00 H new ATOM 87 N ALA A 5 3.599 -1.098 1.638 1.00 0.00 N ATOM 88 CA ALA A 5 3.123 -1.587 2.910 1.00 0.00 C ATOM 89 C ALA A 5 2.267 -0.556 3.650 1.00 0.00 C ATOM 90 O ALA A 5 1.269 -0.913 4.277 1.00 0.00 O ATOM 91 CB ALA A 5 4.305 -2.016 3.753 1.00 0.00 C ATOM 0 H ALA A 5 4.610 -1.156 1.513 1.00 0.00 H new ATOM 0 HA ALA A 5 2.475 -2.443 2.723 1.00 0.00 H new ATOM 0 HB1 ALA A 5 3.951 -2.386 4.715 1.00 0.00 H new ATOM 0 HB2 ALA A 5 4.851 -2.807 3.239 1.00 0.00 H new ATOM 0 HB3 ALA A 5 4.966 -1.164 3.913 1.00 0.00 H new ATOM 97 N TRP A 6 2.659 0.717 3.597 1.00 0.00 N ATOM 98 CA TRP A 6 1.909 1.763 4.291 1.00 0.00 C ATOM 99 C TRP A 6 0.788 2.367 3.440 1.00 0.00 C ATOM 100 O TRP A 6 0.286 3.441 3.773 1.00 0.00 O ATOM 101 CB TRP A 6 2.846 2.879 4.776 1.00 0.00 C ATOM 102 CG TRP A 6 3.740 3.404 3.705 1.00 0.00 C ATOM 103 CD1 TRP A 6 5.065 3.153 3.578 1.00 0.00 C ATOM 104 CD2 TRP A 6 3.379 4.249 2.602 1.00 0.00 C ATOM 105 NE1 TRP A 6 5.554 3.778 2.464 1.00 0.00 N ATOM 106 CE2 TRP A 6 4.537 4.458 1.842 1.00 0.00 C ATOM 107 CE3 TRP A 6 2.189 4.838 2.181 1.00 0.00 C ATOM 108 CZ2 TRP A 6 4.537 5.232 0.677 1.00 0.00 C ATOM 109 CZ3 TRP A 6 2.178 5.592 1.020 1.00 0.00 C ATOM 110 CH2 TRP A 6 3.341 5.778 0.278 1.00 0.00 C ATOM 0 H TRP A 6 3.480 1.046 3.088 1.00 0.00 H new ATOM 0 HA TRP A 6 1.441 1.277 5.147 1.00 0.00 H new ATOM 0 HB2 TRP A 6 2.248 3.698 5.175 1.00 0.00 H new ATOM 0 HB3 TRP A 6 3.456 2.501 5.596 1.00 0.00 H new ATOM 0 HD1 TRP A 6 5.649 2.549 4.256 1.00 0.00 H new ATOM 0 HE1 TRP A 6 6.522 3.744 2.146 1.00 0.00 H new ATOM 0 HE3 TRP A 6 1.283 4.708 2.755 1.00 0.00 H new ATOM 0 HZ2 TRP A 6 5.443 5.394 0.112 1.00 0.00 H new ATOM 0 HZ3 TRP A 6 1.255 6.042 0.686 1.00 0.00 H new ATOM 0 HH2 TRP A 6 3.302 6.363 -0.629 1.00 0.00 H new ATOM 121 N TRP A 7 0.385 1.706 2.346 1.00 0.00 N ATOM 122 CA TRP A 7 -0.674 2.275 1.503 1.00 0.00 C ATOM 123 C TRP A 7 -1.230 1.326 0.462 1.00 0.00 C ATOM 124 O TRP A 7 -2.426 1.324 0.206 1.00 0.00 O ATOM 125 CB TRP A 7 -0.152 3.488 0.805 1.00 0.00 C ATOM 126 CG TRP A 7 0.787 3.140 -0.275 1.00 0.00 C ATOM 127 CD1 TRP A 7 2.105 2.809 -0.191 1.00 0.00 C ATOM 128 CD2 TRP A 7 0.438 3.071 -1.619 1.00 0.00 C ATOM 129 NE1 TRP A 7 2.601 2.579 -1.441 1.00 0.00 N ATOM 130 CE2 TRP A 7 1.581 2.723 -2.335 1.00 0.00 C ATOM 131 CE3 TRP A 7 -0.748 3.281 -2.279 1.00 0.00 C ATOM 132 CZ2 TRP A 7 1.568 2.582 -3.695 1.00 0.00 C ATOM 133 CZ3 TRP A 7 -0.772 3.139 -3.623 1.00 0.00 C ATOM 134 CH2 TRP A 7 0.380 2.790 -4.336 1.00 0.00 C ATOM 0 H TRP A 7 0.760 0.811 2.032 1.00 0.00 H new ATOM 0 HA TRP A 7 -1.495 2.511 2.180 1.00 0.00 H new ATOM 0 HB2 TRP A 7 -0.986 4.056 0.392 1.00 0.00 H new ATOM 0 HB3 TRP A 7 0.348 4.135 1.526 1.00 0.00 H new ATOM 0 HD1 TRP A 7 2.672 2.739 0.726 1.00 0.00 H new ATOM 0 HE1 TRP A 7 3.567 2.341 -1.668 1.00 0.00 H new ATOM 0 HE3 TRP A 7 -1.641 3.553 -1.736 1.00 0.00 H new ATOM 0 HZ2 TRP A 7 2.462 2.317 -4.241 1.00 0.00 H new ATOM 0 HZ3 TRP A 7 -1.698 3.298 -4.156 1.00 0.00 H new ATOM 0 HH2 TRP A 7 0.329 2.683 -5.410 1.00 0.00 H new ATOM 145 N TRP A 8 -0.391 0.538 -0.163 1.00 0.00 N ATOM 146 CA TRP A 8 -0.888 -0.382 -1.155 1.00 0.00 C ATOM 147 C TRP A 8 -1.982 -1.187 -0.496 1.00 0.00 C ATOM 148 O TRP A 8 -2.922 -1.648 -1.138 1.00 0.00 O ATOM 149 CB TRP A 8 0.235 -1.253 -1.666 1.00 0.00 C ATOM 150 CG TRP A 8 0.199 -2.653 -1.169 1.00 0.00 C ATOM 151 CD1 TRP A 8 0.861 -3.170 -0.098 1.00 0.00 C ATOM 152 CD2 TRP A 8 -0.527 -3.717 -1.754 1.00 0.00 C ATOM 153 NE1 TRP A 8 0.598 -4.515 0.008 1.00 0.00 N ATOM 154 CE2 TRP A 8 -0.257 -4.873 -1.003 1.00 0.00 C ATOM 155 CE3 TRP A 8 -1.380 -3.792 -2.849 1.00 0.00 C ATOM 156 CZ2 TRP A 8 -0.811 -6.105 -1.321 1.00 0.00 C ATOM 157 CZ3 TRP A 8 -1.935 -5.017 -3.167 1.00 0.00 C ATOM 158 CH2 TRP A 8 -1.645 -6.160 -2.405 1.00 0.00 C ATOM 0 H TRP A 8 0.617 0.514 -0.008 1.00 0.00 H new ATOM 0 HA TRP A 8 -1.290 0.139 -2.024 1.00 0.00 H new ATOM 0 HB2 TRP A 8 0.202 -1.266 -2.755 1.00 0.00 H new ATOM 0 HB3 TRP A 8 1.186 -0.803 -1.381 1.00 0.00 H new ATOM 0 HD1 TRP A 8 1.498 -2.608 0.569 1.00 0.00 H new ATOM 0 HE1 TRP A 8 0.975 -5.142 0.719 1.00 0.00 H new ATOM 0 HE3 TRP A 8 -1.604 -2.914 -3.437 1.00 0.00 H new ATOM 0 HZ2 TRP A 8 -0.593 -6.986 -0.736 1.00 0.00 H new ATOM 0 HZ3 TRP A 8 -2.601 -5.096 -4.013 1.00 0.00 H new ATOM 0 HH2 TRP A 8 -2.090 -7.105 -2.681 1.00 0.00 H new ATOM 169 N ALA A 9 -1.863 -1.282 0.821 1.00 0.00 N ATOM 170 CA ALA A 9 -2.849 -1.946 1.631 1.00 0.00 C ATOM 171 C ALA A 9 -4.032 -0.989 1.798 1.00 0.00 C ATOM 172 O ALA A 9 -5.199 -1.380 1.762 1.00 0.00 O ATOM 173 CB ALA A 9 -2.253 -2.323 2.975 1.00 0.00 C ATOM 0 H ALA A 9 -1.078 -0.899 1.348 1.00 0.00 H new ATOM 0 HA ALA A 9 -3.185 -2.868 1.156 1.00 0.00 H new ATOM 0 HB1 ALA A 9 -3.008 -2.825 3.580 1.00 0.00 H new ATOM 0 HB2 ALA A 9 -1.406 -2.992 2.823 1.00 0.00 H new ATOM 0 HB3 ALA A 9 -1.916 -1.423 3.489 1.00 0.00 H new ATOM 179 N PHE A 10 -3.672 0.289 1.943 1.00 0.00 N ATOM 180 CA PHE A 10 -4.612 1.404 2.080 1.00 0.00 C ATOM 181 C PHE A 10 -5.608 1.426 0.912 1.00 0.00 C ATOM 182 O PHE A 10 -6.798 1.675 1.107 1.00 0.00 O ATOM 183 CB PHE A 10 -3.788 2.721 2.136 1.00 0.00 C ATOM 184 CG PHE A 10 -4.380 3.917 1.433 1.00 0.00 C ATOM 185 CD1 PHE A 10 -5.679 4.333 1.684 1.00 0.00 C ATOM 186 CD2 PHE A 10 -3.614 4.632 0.513 1.00 0.00 C ATOM 187 CE1 PHE A 10 -6.207 5.431 1.032 1.00 0.00 C ATOM 188 CE2 PHE A 10 -4.141 5.729 -0.138 1.00 0.00 C ATOM 189 CZ PHE A 10 -5.439 6.128 0.119 1.00 0.00 C ATOM 0 H PHE A 10 -2.696 0.584 1.969 1.00 0.00 H new ATOM 0 HA PHE A 10 -5.196 1.292 2.994 1.00 0.00 H new ATOM 0 HB2 PHE A 10 -3.634 2.983 3.183 1.00 0.00 H new ATOM 0 HB3 PHE A 10 -2.805 2.526 1.708 1.00 0.00 H new ATOM 0 HD1 PHE A 10 -6.284 3.793 2.397 1.00 0.00 H new ATOM 0 HD2 PHE A 10 -2.599 4.325 0.308 1.00 0.00 H new ATOM 0 HE1 PHE A 10 -7.220 5.744 1.236 1.00 0.00 H new ATOM 0 HE2 PHE A 10 -3.539 6.276 -0.848 1.00 0.00 H new ATOM 0 HZ PHE A 10 -5.853 6.984 -0.393 1.00 0.00 H new ATOM 199 N LEU A 11 -5.111 1.177 -0.301 1.00 0.00 N ATOM 200 CA LEU A 11 -5.957 1.187 -1.492 1.00 0.00 C ATOM 201 C LEU A 11 -6.823 -0.064 -1.580 1.00 0.00 C ATOM 202 O LEU A 11 -7.991 0.010 -1.963 1.00 0.00 O ATOM 203 CB LEU A 11 -5.105 1.349 -2.762 1.00 0.00 C ATOM 204 CG LEU A 11 -4.049 0.267 -3.007 1.00 0.00 C ATOM 205 CD1 LEU A 11 -4.671 -0.993 -3.591 1.00 0.00 C ATOM 206 CD2 LEU A 11 -2.958 0.788 -3.925 1.00 0.00 C ATOM 0 H LEU A 11 -4.130 0.967 -0.483 1.00 0.00 H new ATOM 0 HA LEU A 11 -6.627 2.043 -1.411 1.00 0.00 H new ATOM 0 HB2 LEU A 11 -5.774 1.377 -3.622 1.00 0.00 H new ATOM 0 HB3 LEU A 11 -4.602 2.315 -2.717 1.00 0.00 H new ATOM 0 HG LEU A 11 -3.608 0.009 -2.044 1.00 0.00 H new ATOM 0 HD11 LEU A 11 -3.895 -1.741 -3.753 1.00 0.00 H new ATOM 0 HD12 LEU A 11 -5.415 -1.386 -2.898 1.00 0.00 H new ATOM 0 HD13 LEU A 11 -5.150 -0.756 -4.541 1.00 0.00 H new ATOM 0 HD21 LEU A 11 -2.216 0.006 -4.088 1.00 0.00 H new ATOM 0 HD22 LEU A 11 -3.395 1.079 -4.880 1.00 0.00 H new ATOM 0 HD23 LEU A 11 -2.479 1.653 -3.466 1.00 0.00 H new ATOM 218 N ARG A 12 -6.247 -1.216 -1.241 1.00 0.00 N ATOM 219 CA ARG A 12 -6.968 -2.466 -1.297 1.00 0.00 C ATOM 220 C ARG A 12 -7.895 -2.631 -0.094 1.00 0.00 C ATOM 221 O ARG A 12 -7.962 -3.703 0.509 1.00 0.00 O ATOM 222 CB ARG A 12 -5.986 -3.627 -1.381 1.00 0.00 C ATOM 223 CG ARG A 12 -4.911 -3.625 -0.314 1.00 0.00 C ATOM 224 CD ARG A 12 -4.070 -4.891 -0.390 1.00 0.00 C ATOM 225 NE ARG A 12 -3.142 -5.021 0.732 1.00 0.00 N ATOM 226 CZ ARG A 12 -3.523 -5.234 1.988 1.00 0.00 C ATOM 227 NH1 ARG A 12 -4.812 -5.322 2.290 1.00 0.00 N ATOM 228 NH2 ARG A 12 -2.613 -5.364 2.945 1.00 0.00 N ATOM 0 H ARG A 12 -5.281 -1.299 -0.925 1.00 0.00 H new ATOM 0 HA ARG A 12 -7.591 -2.460 -2.191 1.00 0.00 H new ATOM 0 HB2 ARG A 12 -6.543 -4.562 -1.315 1.00 0.00 H new ATOM 0 HB3 ARG A 12 -5.507 -3.610 -2.360 1.00 0.00 H new ATOM 0 HG2 ARG A 12 -4.272 -2.751 -0.437 1.00 0.00 H new ATOM 0 HG3 ARG A 12 -5.371 -3.547 0.671 1.00 0.00 H new ATOM 0 HD2 ARG A 12 -4.729 -5.759 -0.413 1.00 0.00 H new ATOM 0 HD3 ARG A 12 -3.507 -4.893 -1.324 1.00 0.00 H new ATOM 0 HE ARG A 12 -2.143 -4.944 0.540 1.00 0.00 H new ATOM 0 HH11 ARG A 12 -5.515 -5.226 1.557 1.00 0.00 H new ATOM 0 HH12 ARG A 12 -5.100 -5.485 3.255 1.00 0.00 H new ATOM 0 HH21 ARG A 12 -1.621 -5.301 2.717 1.00 0.00 H new ATOM 0 HH22 ARG A 12 -2.906 -5.527 3.908 1.00 0.00 H new ATOM 242 N ARG A 13 -8.609 -1.562 0.245 1.00 0.00 N ATOM 243 CA ARG A 13 -9.535 -1.579 1.370 1.00 0.00 C ATOM 244 C ARG A 13 -10.673 -2.567 1.128 1.00 0.00 C ATOM 245 O ARG A 13 -10.637 -3.662 1.729 1.00 0.00 O ATOM 246 CB ARG A 13 -10.099 -0.177 1.605 1.00 0.00 C ATOM 247 CG ARG A 13 -10.726 0.442 0.366 1.00 0.00 C ATOM 248 CD ARG A 13 -11.240 1.846 0.639 1.00 0.00 C ATOM 249 NE ARG A 13 -11.753 2.489 -0.571 1.00 0.00 N ATOM 250 CZ ARG A 13 -12.796 2.041 -1.265 1.00 0.00 C ATOM 251 NH1 ARG A 13 -13.452 0.959 -0.866 1.00 0.00 N ATOM 252 NH2 ARG A 13 -13.187 2.679 -2.361 1.00 0.00 N ATOM 0 H ARG A 13 -8.563 -0.669 -0.247 1.00 0.00 H new ATOM 0 HA ARG A 13 -8.988 -1.900 2.257 1.00 0.00 H new ATOM 0 HB2 ARG A 13 -10.847 -0.223 2.396 1.00 0.00 H new ATOM 0 HB3 ARG A 13 -9.299 0.473 1.960 1.00 0.00 H new ATOM 0 HG2 ARG A 13 -9.990 0.474 -0.437 1.00 0.00 H new ATOM 0 HG3 ARG A 13 -11.548 -0.186 0.021 1.00 0.00 H new ATOM 0 HD2 ARG A 13 -12.030 1.803 1.389 1.00 0.00 H new ATOM 0 HD3 ARG A 13 -10.436 2.451 1.057 1.00 0.00 H new ATOM 0 HE ARG A 13 -11.283 3.331 -0.902 1.00 0.00 H new ATOM 0 HH11 ARG A 13 -13.157 0.466 -0.023 1.00 0.00 H new ATOM 0 HH12 ARG A 13 -14.251 0.620 -1.402 1.00 0.00 H new ATOM 0 HH21 ARG A 13 -12.688 3.513 -2.671 1.00 0.00 H new ATOM 0 HH22 ARG A 13 -13.987 2.336 -2.893 1.00 0.00 H new HETATM 266 N NH2 A 14 -11.310 -2.554 -0.037 1.00 0.00 N TER 269 NH2 A 14