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+ 166:sc= -0.108 (180deg=-0.442) USER MOD ----------------------------------------------------------------- ATOM 1 N VAL A 1 6.598 -3.353 -5.733 1.00 0.00 N ATOM 2 CA VAL A 1 6.239 -2.837 -4.388 1.00 0.00 C ATOM 3 C VAL A 1 7.458 -2.769 -3.475 1.00 0.00 C ATOM 4 O VAL A 1 8.111 -3.781 -3.216 1.00 0.00 O ATOM 5 CB VAL A 1 5.161 -3.721 -3.720 1.00 0.00 C ATOM 6 CG1 VAL A 1 5.576 -5.184 -3.743 1.00 0.00 C ATOM 7 CG2 VAL A 1 4.893 -3.265 -2.289 1.00 0.00 C ATOM 0 H1 VAL A 1 5.732 -3.611 -6.248 1.00 0.00 H new ATOM 0 H2 VAL A 1 7.109 -2.618 -6.262 1.00 0.00 H new ATOM 0 H3 VAL A 1 7.204 -4.192 -5.632 1.00 0.00 H new ATOM 0 HA VAL A 1 5.844 -1.831 -4.532 1.00 0.00 H new ATOM 0 HB VAL A 1 4.238 -3.615 -4.290 1.00 0.00 H new ATOM 0 HG11 VAL A 1 4.804 -5.789 -3.268 1.00 0.00 H new ATOM 0 HG12 VAL A 1 5.708 -5.509 -4.775 1.00 0.00 H new ATOM 0 HG13 VAL A 1 6.515 -5.304 -3.202 1.00 0.00 H new ATOM 0 HG21 VAL A 1 4.131 -3.903 -1.841 1.00 0.00 H new ATOM 0 HG22 VAL A 1 5.812 -3.334 -1.707 1.00 0.00 H new ATOM 0 HG23 VAL A 1 4.544 -2.232 -2.295 1.00 0.00 H new ATOM 19 N ARG A 2 7.749 -1.574 -2.972 1.00 0.00 N ATOM 20 CA ARG A 2 8.875 -1.389 -2.070 1.00 0.00 C ATOM 21 C ARG A 2 8.479 -1.885 -0.685 1.00 0.00 C ATOM 22 O ARG A 2 9.001 -2.890 -0.201 1.00 0.00 O ATOM 23 CB ARG A 2 9.283 0.088 -2.020 1.00 0.00 C ATOM 24 CG ARG A 2 10.729 0.326 -1.597 1.00 0.00 C ATOM 25 CD ARG A 2 11.006 -0.165 -0.185 1.00 0.00 C ATOM 26 NE ARG A 2 12.393 0.068 0.212 1.00 0.00 N ATOM 27 CZ ARG A 2 12.896 -0.292 1.390 1.00 0.00 C ATOM 28 NH1 ARG A 2 12.131 -0.906 2.282 1.00 0.00 N ATOM 29 NH2 ARG A 2 14.166 -0.040 1.675 1.00 0.00 N ATOM 0 H ARG A 2 7.222 -0.724 -3.174 1.00 0.00 H new ATOM 0 HA ARG A 2 9.732 -1.959 -2.429 1.00 0.00 H new ATOM 0 HB2 ARG A 2 9.127 0.529 -3.004 1.00 0.00 H new ATOM 0 HB3 ARG A 2 8.623 0.612 -1.328 1.00 0.00 H new ATOM 0 HG2 ARG A 2 11.397 -0.181 -2.293 1.00 0.00 H new ATOM 0 HG3 ARG A 2 10.953 1.391 -1.659 1.00 0.00 H new ATOM 0 HD2 ARG A 2 10.339 0.342 0.513 1.00 0.00 H new ATOM 0 HD3 ARG A 2 10.784 -1.230 -0.121 1.00 0.00 H new ATOM 0 HE ARG A 2 13.011 0.534 -0.452 1.00 0.00 H new ATOM 0 HH11 ARG A 2 11.154 -1.104 2.066 1.00 0.00 H new ATOM 0 HH12 ARG A 2 12.520 -1.181 3.184 1.00 0.00 H new ATOM 0 HH21 ARG A 2 14.759 0.430 0.991 1.00 0.00 H new ATOM 0 HH22 ARG A 2 14.550 -0.316 2.578 1.00 0.00 H new ATOM 43 N ARG A 3 7.525 -1.187 -0.070 1.00 0.00 N ATOM 44 CA ARG A 3 7.021 -1.566 1.246 1.00 0.00 C ATOM 45 C ARG A 3 5.877 -0.654 1.688 1.00 0.00 C ATOM 46 O ARG A 3 5.614 -0.511 2.883 1.00 0.00 O ATOM 47 CB ARG A 3 8.154 -1.564 2.282 1.00 0.00 C ATOM 48 CG ARG A 3 8.854 -0.222 2.444 1.00 0.00 C ATOM 49 CD ARG A 3 8.156 0.662 3.465 1.00 0.00 C ATOM 50 NE ARG A 3 8.801 1.967 3.592 1.00 0.00 N ATOM 51 CZ ARG A 3 10.057 2.135 4.003 1.00 0.00 C ATOM 52 NH1 ARG A 3 10.798 1.086 4.339 1.00 0.00 N ATOM 53 NH2 ARG A 3 10.571 3.354 4.082 1.00 0.00 N ATOM 0 H ARG A 3 7.086 -0.355 -0.464 1.00 0.00 H new ATOM 0 HA ARG A 3 6.626 -2.579 1.173 1.00 0.00 H new ATOM 0 HB2 ARG A 3 7.748 -1.867 3.247 1.00 0.00 H new ATOM 0 HB3 ARG A 3 8.892 -2.313 1.997 1.00 0.00 H new ATOM 0 HG2 ARG A 3 9.887 -0.386 2.752 1.00 0.00 H new ATOM 0 HG3 ARG A 3 8.885 0.290 1.482 1.00 0.00 H new ATOM 0 HD2 ARG A 3 7.115 0.799 3.174 1.00 0.00 H new ATOM 0 HD3 ARG A 3 8.153 0.163 4.434 1.00 0.00 H new ATOM 0 HE ARG A 3 8.259 2.797 3.352 1.00 0.00 H new ATOM 0 HH11 ARG A 3 10.406 0.146 4.283 1.00 0.00 H new ATOM 0 HH12 ARG A 3 11.759 1.220 4.653 1.00 0.00 H new ATOM 0 HH21 ARG A 3 10.005 4.164 3.828 1.00 0.00 H new ATOM 0 HH22 ARG A 3 11.533 3.483 4.397 1.00 0.00 H new ATOM 67 N PHE A 4 5.175 -0.061 0.723 1.00 0.00 N ATOM 68 CA PHE A 4 4.048 0.810 1.040 1.00 0.00 C ATOM 69 C PHE A 4 3.079 0.910 -0.137 1.00 0.00 C ATOM 70 O PHE A 4 1.870 0.968 0.048 1.00 0.00 O ATOM 71 CB PHE A 4 4.525 2.206 1.467 1.00 0.00 C ATOM 72 CG PHE A 4 4.843 3.137 0.329 1.00 0.00 C ATOM 73 CD1 PHE A 4 3.826 3.718 -0.422 1.00 0.00 C ATOM 74 CD2 PHE A 4 6.157 3.434 0.013 1.00 0.00 C ATOM 75 CE1 PHE A 4 4.125 4.575 -1.465 1.00 0.00 C ATOM 76 CE2 PHE A 4 6.459 4.289 -1.028 1.00 0.00 C ATOM 77 CZ PHE A 4 5.443 4.860 -1.768 1.00 0.00 C ATOM 0 H PHE A 4 5.365 -0.167 -0.274 1.00 0.00 H new ATOM 0 HA PHE A 4 3.517 0.363 1.880 1.00 0.00 H new ATOM 0 HB2 PHE A 4 3.755 2.664 2.089 1.00 0.00 H new ATOM 0 HB3 PHE A 4 5.414 2.097 2.089 1.00 0.00 H new ATOM 0 HD1 PHE A 4 2.795 3.498 -0.188 1.00 0.00 H new ATOM 0 HD2 PHE A 4 6.957 2.991 0.588 1.00 0.00 H new ATOM 0 HE1 PHE A 4 3.329 5.021 -2.043 1.00 0.00 H new ATOM 0 HE2 PHE A 4 7.489 4.511 -1.263 1.00 0.00 H new ATOM 0 HZ PHE A 4 5.678 5.529 -2.583 1.00 0.00 H new ATOM 87 N ALA A 5 3.613 0.938 -1.348 1.00 0.00 N ATOM 88 CA ALA A 5 2.778 1.041 -2.536 1.00 0.00 C ATOM 89 C ALA A 5 2.220 -0.323 -2.946 1.00 0.00 C ATOM 90 O ALA A 5 2.408 -0.783 -4.072 1.00 0.00 O ATOM 91 CB ALA A 5 3.568 1.665 -3.664 1.00 0.00 C ATOM 0 H ALA A 5 4.615 0.891 -1.535 1.00 0.00 H new ATOM 0 HA ALA A 5 1.926 1.681 -2.305 1.00 0.00 H new ATOM 0 HB1 ALA A 5 2.939 1.740 -4.551 1.00 0.00 H new ATOM 0 HB2 ALA A 5 3.899 2.661 -3.369 1.00 0.00 H new ATOM 0 HB3 ALA A 5 4.436 1.045 -3.887 1.00 0.00 H new ATOM 97 N TRP A 6 1.529 -0.948 -2.008 1.00 0.00 N ATOM 98 CA TRP A 6 0.908 -2.256 -2.194 1.00 0.00 C ATOM 99 C TRP A 6 -0.336 -2.312 -1.355 1.00 0.00 C ATOM 100 O TRP A 6 -1.353 -2.869 -1.752 1.00 0.00 O ATOM 101 CB TRP A 6 1.795 -3.379 -1.686 1.00 0.00 C ATOM 102 CG TRP A 6 2.248 -3.123 -0.294 1.00 0.00 C ATOM 103 CD1 TRP A 6 2.954 -2.061 0.160 1.00 0.00 C ATOM 104 CD2 TRP A 6 1.979 -3.935 0.823 1.00 0.00 C ATOM 105 NE1 TRP A 6 3.106 -2.140 1.518 1.00 0.00 N ATOM 106 CE2 TRP A 6 2.520 -3.300 1.950 1.00 0.00 C ATOM 107 CE3 TRP A 6 1.321 -5.138 0.965 1.00 0.00 C ATOM 108 CZ2 TRP A 6 2.409 -3.838 3.222 1.00 0.00 C ATOM 109 CZ3 TRP A 6 1.213 -5.689 2.226 1.00 0.00 C ATOM 110 CH2 TRP A 6 1.751 -5.034 3.344 1.00 0.00 C ATOM 0 H TRP A 6 1.379 -0.557 -1.078 1.00 0.00 H new ATOM 0 HA TRP A 6 0.719 -2.380 -3.260 1.00 0.00 H new ATOM 0 HB2 TRP A 6 1.250 -4.322 -1.725 1.00 0.00 H new ATOM 0 HB3 TRP A 6 2.661 -3.484 -2.339 1.00 0.00 H new ATOM 0 HD1 TRP A 6 3.341 -1.266 -0.460 1.00 0.00 H new ATOM 0 HE1 TRP A 6 3.575 -1.453 2.107 1.00 0.00 H new ATOM 0 HE3 TRP A 6 0.898 -5.639 0.107 1.00 0.00 H new ATOM 0 HZ2 TRP A 6 2.824 -3.335 4.083 1.00 0.00 H new ATOM 0 HZ3 TRP A 6 0.708 -6.635 2.353 1.00 0.00 H new ATOM 0 HH2 TRP A 6 1.644 -5.482 4.321 1.00 0.00 H new ATOM 121 N TRP A 7 -0.207 -1.755 -0.158 1.00 0.00 N ATOM 122 CA TRP A 7 -1.268 -1.732 0.799 1.00 0.00 C ATOM 123 C TRP A 7 -2.329 -0.754 0.402 1.00 0.00 C ATOM 124 O TRP A 7 -3.438 -0.825 0.895 1.00 0.00 O ATOM 125 CB TRP A 7 -0.722 -1.428 2.188 1.00 0.00 C ATOM 126 CG TRP A 7 0.006 -0.126 2.309 1.00 0.00 C ATOM 127 CD1 TRP A 7 1.307 0.032 2.606 1.00 0.00 C ATOM 128 CD2 TRP A 7 -0.526 1.186 2.175 1.00 0.00 C ATOM 129 NE1 TRP A 7 1.635 1.360 2.665 1.00 0.00 N ATOM 130 CE2 TRP A 7 0.521 2.090 2.400 1.00 0.00 C ATOM 131 CE3 TRP A 7 -1.781 1.681 1.882 1.00 0.00 C ATOM 132 CZ2 TRP A 7 0.342 3.458 2.341 1.00 0.00 C ATOM 133 CZ3 TRP A 7 -1.966 3.024 1.821 1.00 0.00 C ATOM 134 CH2 TRP A 7 -0.914 3.910 2.048 1.00 0.00 C ATOM 0 H TRP A 7 0.651 -1.307 0.164 1.00 0.00 H new ATOM 0 HA TRP A 7 -1.730 -2.719 0.826 1.00 0.00 H new ATOM 0 HB2 TRP A 7 -1.550 -1.431 2.897 1.00 0.00 H new ATOM 0 HB3 TRP A 7 -0.048 -2.233 2.482 1.00 0.00 H new ATOM 0 HD1 TRP A 7 2.000 -0.779 2.775 1.00 0.00 H new ATOM 0 HE1 TRP A 7 2.560 1.737 2.873 1.00 0.00 H new ATOM 0 HE3 TRP A 7 -2.606 1.007 1.703 1.00 0.00 H new ATOM 0 HZ2 TRP A 7 1.159 4.141 2.519 1.00 0.00 H new ATOM 0 HZ3 TRP A 7 -2.947 3.414 1.592 1.00 0.00 H new ATOM 0 HH2 TRP A 7 -1.095 4.973 1.991 1.00 0.00 H new ATOM 145 N TRP A 8 -2.001 0.169 -0.486 1.00 0.00 N ATOM 146 CA TRP A 8 -2.992 1.145 -0.895 1.00 0.00 C ATOM 147 C TRP A 8 -4.214 0.418 -1.324 1.00 0.00 C ATOM 148 O TRP A 8 -5.320 0.671 -0.863 1.00 0.00 O ATOM 149 CB TRP A 8 -2.547 2.001 -2.056 1.00 0.00 C ATOM 150 CG TRP A 8 -1.341 2.739 -1.755 1.00 0.00 C ATOM 151 CD1 TRP A 8 -0.436 2.359 -0.875 1.00 0.00 C ATOM 152 CD2 TRP A 8 -0.919 3.950 -2.318 1.00 0.00 C ATOM 153 NE1 TRP A 8 0.574 3.286 -0.806 1.00 0.00 N ATOM 154 CE2 TRP A 8 0.296 4.287 -1.711 1.00 0.00 C ATOM 155 CE3 TRP A 8 -1.463 4.776 -3.276 1.00 0.00 C ATOM 156 CZ2 TRP A 8 0.987 5.447 -2.044 1.00 0.00 C ATOM 157 CZ3 TRP A 8 -0.791 5.923 -3.613 1.00 0.00 C ATOM 158 CH2 TRP A 8 0.428 6.257 -2.999 1.00 0.00 C ATOM 0 H TRP A 8 -1.085 0.262 -0.925 1.00 0.00 H new ATOM 0 HA TRP A 8 -3.163 1.801 -0.041 1.00 0.00 H new ATOM 0 HB2 TRP A 8 -2.377 1.369 -2.928 1.00 0.00 H new ATOM 0 HB3 TRP A 8 -3.343 2.698 -2.318 1.00 0.00 H new ATOM 0 HD1 TRP A 8 -0.482 1.450 -0.293 1.00 0.00 H new ATOM 0 HE1 TRP A 8 1.388 3.242 -0.192 1.00 0.00 H new ATOM 0 HE3 TRP A 8 -2.400 4.526 -3.752 1.00 0.00 H new ATOM 0 HZ2 TRP A 8 1.924 5.699 -1.570 1.00 0.00 H new ATOM 0 HZ3 TRP A 8 -1.206 6.581 -4.363 1.00 0.00 H new ATOM 0 HH2 TRP A 8 0.934 7.168 -3.284 1.00 0.00 H new ATOM 169 N PRO A 9 -4.019 -0.499 -2.261 1.00 0.00 N ATOM 170 CA PRO A 9 -5.093 -1.260 -2.794 1.00 0.00 C ATOM 171 C PRO A 9 -6.087 -1.704 -1.723 1.00 0.00 C ATOM 172 O PRO A 9 -7.292 -1.514 -1.878 1.00 0.00 O ATOM 173 CB PRO A 9 -4.368 -2.440 -3.423 1.00 0.00 C ATOM 174 CG PRO A 9 -3.125 -1.838 -3.955 1.00 0.00 C ATOM 175 CD PRO A 9 -2.732 -0.837 -2.922 1.00 0.00 C ATOM 0 HA PRO A 9 -5.709 -0.698 -3.496 1.00 0.00 H new ATOM 0 HB2 PRO A 9 -4.155 -3.218 -2.689 1.00 0.00 H new ATOM 0 HB3 PRO A 9 -4.961 -2.901 -4.213 1.00 0.00 H new ATOM 0 HG2 PRO A 9 -2.348 -2.589 -4.098 1.00 0.00 H new ATOM 0 HG3 PRO A 9 -3.294 -1.366 -4.923 1.00 0.00 H new ATOM 0 HD2 PRO A 9 -2.014 -1.251 -2.214 1.00 0.00 H new ATOM 0 HD3 PRO A 9 -2.268 0.042 -3.370 1.00 0.00 H new ATOM 183 N PHE A 10 -5.581 -2.268 -0.623 1.00 0.00 N ATOM 184 CA PHE A 10 -6.465 -2.690 0.470 1.00 0.00 C ATOM 185 C PHE A 10 -6.758 -1.504 1.379 1.00 0.00 C ATOM 186 O PHE A 10 -7.910 -1.159 1.633 1.00 0.00 O ATOM 187 CB PHE A 10 -5.857 -3.802 1.332 1.00 0.00 C ATOM 188 CG PHE A 10 -4.764 -4.596 0.685 1.00 0.00 C ATOM 189 CD1 PHE A 10 -3.530 -4.023 0.455 1.00 0.00 C ATOM 190 CD2 PHE A 10 -4.955 -5.923 0.341 1.00 0.00 C ATOM 191 CE1 PHE A 10 -2.512 -4.743 -0.109 1.00 0.00 C ATOM 192 CE2 PHE A 10 -3.931 -6.657 -0.223 1.00 0.00 C ATOM 193 CZ PHE A 10 -2.706 -6.062 -0.450 1.00 0.00 C ATOM 0 H PHE A 10 -4.588 -2.441 -0.465 1.00 0.00 H new ATOM 0 HA PHE A 10 -7.372 -3.074 0.003 1.00 0.00 H new ATOM 0 HB2 PHE A 10 -5.466 -3.356 2.246 1.00 0.00 H new ATOM 0 HB3 PHE A 10 -6.653 -4.486 1.626 1.00 0.00 H new ATOM 0 HD1 PHE A 10 -3.365 -2.990 0.724 1.00 0.00 H new ATOM 0 HD2 PHE A 10 -5.914 -6.388 0.515 1.00 0.00 H new ATOM 0 HE1 PHE A 10 -1.555 -4.275 -0.287 1.00 0.00 H new ATOM 0 HE2 PHE A 10 -4.087 -7.693 -0.486 1.00 0.00 H new ATOM 0 HZ PHE A 10 -1.902 -6.630 -0.894 1.00 0.00 H new ATOM 203 N LEU A 11 -5.686 -0.905 1.881 1.00 0.00 N ATOM 204 CA LEU A 11 -5.775 0.231 2.780 1.00 0.00 C ATOM 205 C LEU A 11 -6.506 1.407 2.136 1.00 0.00 C ATOM 206 O LEU A 11 -7.574 1.819 2.592 1.00 0.00 O ATOM 207 CB LEU A 11 -4.389 0.663 3.233 1.00 0.00 C ATOM 208 CG LEU A 11 -3.490 -0.448 3.802 1.00 0.00 C ATOM 209 CD1 LEU A 11 -2.349 0.172 4.573 1.00 0.00 C ATOM 210 CD2 LEU A 11 -4.278 -1.415 4.676 1.00 0.00 C ATOM 0 H LEU A 11 -4.730 -1.196 1.674 1.00 0.00 H new ATOM 0 HA LEU A 11 -6.352 -0.086 3.648 1.00 0.00 H new ATOM 0 HB2 LEU A 11 -3.877 1.119 2.386 1.00 0.00 H new ATOM 0 HB3 LEU A 11 -4.501 1.437 3.992 1.00 0.00 H new ATOM 0 HG LEU A 11 -3.087 -1.027 2.971 1.00 0.00 H new ATOM 0 HD11 LEU A 11 -1.712 -0.615 4.976 1.00 0.00 H new ATOM 0 HD12 LEU A 11 -1.764 0.808 3.908 1.00 0.00 H new ATOM 0 HD13 LEU A 11 -2.747 0.772 5.392 1.00 0.00 H new ATOM 0 HD21 LEU A 11 -3.610 -2.186 5.060 1.00 0.00 H new ATOM 0 HD22 LEU A 11 -4.723 -0.872 5.510 1.00 0.00 H new ATOM 0 HD23 LEU A 11 -5.066 -1.880 4.084 1.00 0.00 H new ATOM 222 N ARG A 12 -5.917 1.935 1.074 1.00 0.00 N ATOM 223 CA ARG A 12 -6.481 3.062 0.337 1.00 0.00 C ATOM 224 C ARG A 12 -7.753 2.679 -0.415 1.00 0.00 C ATOM 225 O ARG A 12 -8.382 3.529 -1.044 1.00 0.00 O ATOM 226 CB ARG A 12 -5.447 3.596 -0.648 1.00 0.00 C ATOM 227 CG ARG A 12 -4.345 4.365 -0.002 1.00 0.00 C ATOM 228 CD ARG A 12 -3.689 5.295 -0.995 1.00 0.00 C ATOM 229 NE ARG A 12 -2.548 6.003 -0.417 1.00 0.00 N ATOM 230 CZ ARG A 12 -2.648 6.867 0.591 1.00 0.00 C ATOM 231 NH1 ARG A 12 -3.834 7.150 1.113 1.00 0.00 N ATOM 232 NH2 ARG A 12 -1.561 7.453 1.073 1.00 0.00 N ATOM 0 H ARG A 12 -5.033 1.595 0.696 1.00 0.00 H new ATOM 0 HA ARG A 12 -6.746 3.832 1.062 1.00 0.00 H new ATOM 0 HB2 ARG A 12 -5.019 2.760 -1.201 1.00 0.00 H new ATOM 0 HB3 ARG A 12 -5.947 4.236 -1.375 1.00 0.00 H new ATOM 0 HG2 ARG A 12 -4.739 4.939 0.836 1.00 0.00 H new ATOM 0 HG3 ARG A 12 -3.604 3.677 0.404 1.00 0.00 H new ATOM 0 HD2 ARG A 12 -3.358 4.723 -1.862 1.00 0.00 H new ATOM 0 HD3 ARG A 12 -4.422 6.019 -1.351 1.00 0.00 H new ATOM 0 HE ARG A 12 -1.623 5.825 -0.808 1.00 0.00 H new ATOM 0 HH11 ARG A 12 -4.674 6.705 0.742 1.00 0.00 H new ATOM 0 HH12 ARG A 12 -3.906 7.812 1.885 1.00 0.00 H new ATOM 0 HH21 ARG A 12 -0.647 7.242 0.672 1.00 0.00 H new ATOM 0 HH22 ARG A 12 -1.638 8.115 1.845 1.00 0.00 H new ATOM 246 N ARG A 13 -8.113 1.400 -0.357 1.00 0.00 N ATOM 247 CA ARG A 13 -9.306 0.896 -1.044 1.00 0.00 C ATOM 248 C ARG A 13 -10.484 1.852 -0.886 1.00 0.00 C ATOM 249 O ARG A 13 -10.950 2.026 0.259 1.00 0.00 O ATOM 250 CB ARG A 13 -9.690 -0.481 -0.501 1.00 0.00 C ATOM 251 CG ARG A 13 -10.863 -1.122 -1.225 1.00 0.00 C ATOM 252 CD ARG A 13 -11.215 -2.472 -0.620 1.00 0.00 C ATOM 253 NE ARG A 13 -11.611 -2.355 0.782 1.00 0.00 N ATOM 254 CZ ARG A 13 -11.891 -3.398 1.559 1.00 0.00 C ATOM 255 NH1 ARG A 13 -11.801 -4.631 1.078 1.00 0.00 N ATOM 256 NH2 ARG A 13 -12.257 -3.208 2.819 1.00 0.00 N ATOM 0 H ARG A 13 -7.596 0.689 0.160 1.00 0.00 H new ATOM 0 HA ARG A 13 -9.066 0.816 -2.104 1.00 0.00 H new ATOM 0 HB2 ARG A 13 -8.827 -1.142 -0.571 1.00 0.00 H new ATOM 0 HB3 ARG A 13 -9.935 -0.388 0.557 1.00 0.00 H new ATOM 0 HG2 ARG A 13 -11.729 -0.462 -1.175 1.00 0.00 H new ATOM 0 HG3 ARG A 13 -10.618 -1.247 -2.280 1.00 0.00 H new ATOM 0 HD2 ARG A 13 -12.027 -2.925 -1.190 1.00 0.00 H new ATOM 0 HD3 ARG A 13 -10.358 -3.140 -0.700 1.00 0.00 H new ATOM 0 HE ARG A 13 -11.676 -1.421 1.187 1.00 0.00 H new ATOM 0 HH11 ARG A 13 -11.516 -4.781 0.110 1.00 0.00 H new ATOM 0 HH12 ARG A 13 -12.016 -5.429 1.676 1.00 0.00 H new ATOM 0 HH21 ARG A 13 -12.324 -2.262 3.193 1.00 0.00 H new ATOM 0 HH22 ARG A 13 -12.472 -4.008 3.414 1.00 0.00 H new HETATM 270 N NH2 A 14 -10.752 2.713 -1.861 1.00 0.00 N TER 273 NH2 A 14