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= -0.097 (180deg=-0.373) USER MOD ----------------------------------------------------------------- ATOM 1 N VAL A 1 -7.297 -4.437 5.435 1.00 0.00 N ATOM 2 CA VAL A 1 -6.770 -3.588 4.337 1.00 0.00 C ATOM 3 C VAL A 1 -7.897 -3.052 3.461 1.00 0.00 C ATOM 4 O VAL A 1 -8.729 -3.813 2.967 1.00 0.00 O ATOM 5 CB VAL A 1 -5.777 -4.374 3.451 1.00 0.00 C ATOM 6 CG1 VAL A 1 -6.405 -5.672 2.963 1.00 0.00 C ATOM 7 CG2 VAL A 1 -5.314 -3.526 2.272 1.00 0.00 C ATOM 0 H1 VAL A 1 -6.516 -4.973 5.864 1.00 0.00 H new ATOM 0 H2 VAL A 1 -7.741 -3.835 6.157 1.00 0.00 H new ATOM 0 H3 VAL A 1 -8.003 -5.099 5.054 1.00 0.00 H new ATOM 0 HA VAL A 1 -6.252 -2.751 4.806 1.00 0.00 H new ATOM 0 HB VAL A 1 -4.904 -4.620 4.056 1.00 0.00 H new ATOM 0 HG11 VAL A 1 -5.690 -6.211 2.341 1.00 0.00 H new ATOM 0 HG12 VAL A 1 -6.678 -6.289 3.819 1.00 0.00 H new ATOM 0 HG13 VAL A 1 -7.297 -5.447 2.379 1.00 0.00 H new ATOM 0 HG21 VAL A 1 -4.616 -4.100 1.663 1.00 0.00 H new ATOM 0 HG22 VAL A 1 -6.175 -3.243 1.667 1.00 0.00 H new ATOM 0 HG23 VAL A 1 -4.819 -2.628 2.642 1.00 0.00 H new ATOM 19 N ARG A 2 -7.909 -1.737 3.258 1.00 0.00 N ATOM 20 CA ARG A 2 -8.925 -1.110 2.424 1.00 0.00 C ATOM 21 C ARG A 2 -8.737 -1.562 0.980 1.00 0.00 C ATOM 22 O ARG A 2 -9.470 -2.422 0.490 1.00 0.00 O ATOM 23 CB ARG A 2 -8.833 0.415 2.536 1.00 0.00 C ATOM 24 CG ARG A 2 -9.907 1.159 1.758 1.00 0.00 C ATOM 25 CD ARG A 2 -9.844 2.656 2.025 1.00 0.00 C ATOM 26 NE ARG A 2 -10.919 3.384 1.353 1.00 0.00 N ATOM 27 CZ ARG A 2 -11.050 3.463 0.032 1.00 0.00 C ATOM 28 NH1 ARG A 2 -10.167 2.875 -0.763 1.00 0.00 N ATOM 29 NH2 ARG A 2 -12.062 4.138 -0.496 1.00 0.00 N ATOM 0 H ARG A 2 -7.230 -1.090 3.658 1.00 0.00 H new ATOM 0 HA ARG A 2 -9.916 -1.412 2.763 1.00 0.00 H new ATOM 0 HB2 ARG A 2 -8.900 0.696 3.587 1.00 0.00 H new ATOM 0 HB3 ARG A 2 -7.854 0.737 2.181 1.00 0.00 H new ATOM 0 HG2 ARG A 2 -9.782 0.972 0.691 1.00 0.00 H new ATOM 0 HG3 ARG A 2 -10.890 0.779 2.036 1.00 0.00 H new ATOM 0 HD2 ARG A 2 -9.903 2.834 3.099 1.00 0.00 H new ATOM 0 HD3 ARG A 2 -8.881 3.043 1.690 1.00 0.00 H new ATOM 0 HE ARG A 2 -11.610 3.860 1.932 1.00 0.00 H new ATOM 0 HH11 ARG A 2 -9.383 2.360 -0.362 1.00 0.00 H new ATOM 0 HH12 ARG A 2 -10.271 2.938 -1.776 1.00 0.00 H new ATOM 0 HH21 ARG A 2 -12.741 4.597 0.111 1.00 0.00 H new ATOM 0 HH22 ARG A 2 -12.162 4.198 -1.509 1.00 0.00 H new ATOM 43 N ARG A 3 -7.729 -1.002 0.317 1.00 0.00 N ATOM 44 CA ARG A 3 -7.417 -1.375 -1.061 1.00 0.00 C ATOM 45 C ARG A 3 -6.167 -0.665 -1.576 1.00 0.00 C ATOM 46 O ARG A 3 -5.924 -0.633 -2.783 1.00 0.00 O ATOM 47 CB ARG A 3 -8.608 -1.080 -1.983 1.00 0.00 C ATOM 48 CG ARG A 3 -8.971 0.397 -2.082 1.00 0.00 C ATOM 49 CD ARG A 3 -8.128 1.120 -3.124 1.00 0.00 C ATOM 50 NE ARG A 3 -8.299 2.569 -3.066 1.00 0.00 N ATOM 51 CZ ARG A 3 -7.634 3.422 -3.841 1.00 0.00 C ATOM 52 NH1 ARG A 3 -6.765 2.973 -4.737 1.00 0.00 N ATOM 53 NH2 ARG A 3 -7.838 4.726 -3.718 1.00 0.00 N ATOM 0 H ARG A 3 -7.115 -0.289 0.710 1.00 0.00 H new ATOM 0 HA ARG A 3 -7.216 -2.446 -1.067 1.00 0.00 H new ATOM 0 HB2 ARG A 3 -8.382 -1.455 -2.981 1.00 0.00 H new ATOM 0 HB3 ARG A 3 -9.476 -1.633 -1.624 1.00 0.00 H new ATOM 0 HG2 ARG A 3 -10.026 0.495 -2.337 1.00 0.00 H new ATOM 0 HG3 ARG A 3 -8.832 0.871 -1.110 1.00 0.00 H new ATOM 0 HD2 ARG A 3 -7.077 0.874 -2.972 1.00 0.00 H new ATOM 0 HD3 ARG A 3 -8.399 0.764 -4.118 1.00 0.00 H new ATOM 0 HE ARG A 3 -8.966 2.949 -2.394 1.00 0.00 H new ATOM 0 HH11 ARG A 3 -6.604 1.970 -4.834 1.00 0.00 H new ATOM 0 HH12 ARG A 3 -6.257 3.630 -5.329 1.00 0.00 H new ATOM 0 HH21 ARG A 3 -8.505 5.075 -3.029 1.00 0.00 H new ATOM 0 HH22 ARG A 3 -7.328 5.380 -4.312 1.00 0.00 H new ATOM 67 N PHE A 4 -5.366 -0.108 -0.673 1.00 0.00 N ATOM 68 CA PHE A 4 -4.159 0.583 -1.087 1.00 0.00 C ATOM 69 C PHE A 4 -3.128 0.625 0.035 1.00 0.00 C ATOM 70 O PHE A 4 -1.935 0.525 -0.212 1.00 0.00 O ATOM 71 CB PHE A 4 -4.487 2.004 -1.558 1.00 0.00 C ATOM 72 CG PHE A 4 -4.781 2.965 -0.440 1.00 0.00 C ATOM 73 CD1 PHE A 4 -3.749 3.533 0.293 1.00 0.00 C ATOM 74 CD2 PHE A 4 -6.086 3.304 -0.130 1.00 0.00 C ATOM 75 CE1 PHE A 4 -4.019 4.419 1.319 1.00 0.00 C ATOM 76 CE2 PHE A 4 -6.361 4.191 0.893 1.00 0.00 C ATOM 77 CZ PHE A 4 -5.326 4.750 1.619 1.00 0.00 C ATOM 0 H PHE A 4 -5.530 -0.123 0.334 1.00 0.00 H new ATOM 0 HA PHE A 4 -3.729 0.025 -1.919 1.00 0.00 H new ATOM 0 HB2 PHE A 4 -3.648 2.386 -2.140 1.00 0.00 H new ATOM 0 HB3 PHE A 4 -5.348 1.965 -2.226 1.00 0.00 H new ATOM 0 HD1 PHE A 4 -2.725 3.281 0.060 1.00 0.00 H new ATOM 0 HD2 PHE A 4 -6.899 2.871 -0.694 1.00 0.00 H new ATOM 0 HE1 PHE A 4 -3.208 4.852 1.886 1.00 0.00 H new ATOM 0 HE2 PHE A 4 -7.384 4.447 1.125 1.00 0.00 H new ATOM 0 HZ PHE A 4 -5.539 5.444 2.419 1.00 0.00 H new ATOM 87 N ALA A 5 -3.591 0.797 1.262 1.00 0.00 N ATOM 88 CA ALA A 5 -2.694 0.879 2.406 1.00 0.00 C ATOM 89 C ALA A 5 -2.180 -0.496 2.843 1.00 0.00 C ATOM 90 O ALA A 5 -2.204 -0.845 4.024 1.00 0.00 O ATOM 91 CB ALA A 5 -3.394 1.583 3.544 1.00 0.00 C ATOM 0 H ALA A 5 -4.581 0.883 1.493 1.00 0.00 H new ATOM 0 HA ALA A 5 -1.817 1.454 2.108 1.00 0.00 H new ATOM 0 HB1 ALA A 5 -2.723 1.645 4.401 1.00 0.00 H new ATOM 0 HB2 ALA A 5 -3.677 2.588 3.231 1.00 0.00 H new ATOM 0 HB3 ALA A 5 -4.288 1.025 3.822 1.00 0.00 H new ATOM 97 N TRP A 6 -1.698 -1.249 1.870 1.00 0.00 N ATOM 98 CA TRP A 6 -1.140 -2.582 2.079 1.00 0.00 C ATOM 99 C TRP A 6 0.068 -2.734 1.197 1.00 0.00 C ATOM 100 O TRP A 6 1.069 -3.347 1.564 1.00 0.00 O ATOM 101 CB TRP A 6 -2.100 -3.671 1.638 1.00 0.00 C ATOM 102 CG TRP A 6 -2.605 -3.429 0.261 1.00 0.00 C ATOM 103 CD1 TRP A 6 -3.323 -2.369 -0.184 1.00 0.00 C ATOM 104 CD2 TRP A 6 -2.382 -4.261 -0.851 1.00 0.00 C ATOM 105 NE1 TRP A 6 -3.522 -2.470 -1.537 1.00 0.00 N ATOM 106 CE2 TRP A 6 -2.959 -3.643 -1.970 1.00 0.00 C ATOM 107 CE3 TRP A 6 -1.737 -5.470 -0.993 1.00 0.00 C ATOM 108 CZ2 TRP A 6 -2.896 -4.207 -3.237 1.00 0.00 C ATOM 109 CZ3 TRP A 6 -1.675 -6.046 -2.247 1.00 0.00 C ATOM 110 CH2 TRP A 6 -2.249 -5.409 -3.358 1.00 0.00 C ATOM 0 H TRP A 6 -1.681 -0.950 0.895 1.00 0.00 H new ATOM 0 HA TRP A 6 -0.920 -2.680 3.142 1.00 0.00 H new ATOM 0 HB2 TRP A 6 -1.598 -4.638 1.678 1.00 0.00 H new ATOM 0 HB3 TRP A 6 -2.940 -3.719 2.331 1.00 0.00 H new ATOM 0 HD1 TRP A 6 -3.685 -1.563 0.436 1.00 0.00 H new ATOM 0 HE1 TRP A 6 -4.006 -1.789 -2.122 1.00 0.00 H new ATOM 0 HE3 TRP A 6 -1.288 -5.958 -0.140 1.00 0.00 H new ATOM 0 HZ2 TRP A 6 -3.339 -3.718 -4.092 1.00 0.00 H new ATOM 0 HZ3 TRP A 6 -1.179 -6.997 -2.374 1.00 0.00 H new ATOM 0 HH2 TRP A 6 -2.179 -5.876 -4.329 1.00 0.00 H new ATOM 121 N TRP A 7 -0.078 -2.199 -0.003 1.00 0.00 N ATOM 122 CA TRP A 7 0.939 -2.269 -0.998 1.00 0.00 C ATOM 123 C TRP A 7 2.053 -1.328 -0.697 1.00 0.00 C ATOM 124 O TRP A 7 3.142 -1.472 -1.226 1.00 0.00 O ATOM 125 CB TRP A 7 0.349 -2.010 -2.375 1.00 0.00 C ATOM 126 CG TRP A 7 -0.331 -0.683 -2.537 1.00 0.00 C ATOM 127 CD1 TRP A 7 -1.638 -0.482 -2.795 1.00 0.00 C ATOM 128 CD2 TRP A 7 0.261 0.611 -2.494 1.00 0.00 C ATOM 129 NE1 TRP A 7 -1.907 0.855 -2.922 1.00 0.00 N ATOM 130 CE2 TRP A 7 -0.752 1.547 -2.738 1.00 0.00 C ATOM 131 CE3 TRP A 7 1.547 1.066 -2.272 1.00 0.00 C ATOM 132 CZ2 TRP A 7 -0.512 2.909 -2.764 1.00 0.00 C ATOM 133 CZ3 TRP A 7 1.794 2.402 -2.294 1.00 0.00 C ATOM 134 CH2 TRP A 7 0.774 3.321 -2.539 1.00 0.00 C ATOM 0 H TRP A 7 -0.918 -1.703 -0.301 1.00 0.00 H new ATOM 0 HA TRP A 7 1.357 -3.276 -0.992 1.00 0.00 H new ATOM 0 HB2 TRP A 7 1.146 -2.085 -3.115 1.00 0.00 H new ATOM 0 HB3 TRP A 7 -0.369 -2.799 -2.600 1.00 0.00 H new ATOM 0 HD1 TRP A 7 -2.373 -1.268 -2.889 1.00 0.00 H new ATOM 0 HE1 TRP A 7 -2.821 1.263 -3.121 1.00 0.00 H new ATOM 0 HE3 TRP A 7 2.348 0.366 -2.083 1.00 0.00 H new ATOM 0 HZ2 TRP A 7 -1.305 3.617 -2.954 1.00 0.00 H new ATOM 0 HZ3 TRP A 7 2.798 2.759 -2.119 1.00 0.00 H new ATOM 0 HH2 TRP A 7 1.003 4.376 -2.551 1.00 0.00 H new ATOM 145 N TRP A 8 1.791 -0.354 0.143 1.00 0.00 N ATOM 146 CA TRP A 8 2.822 0.597 0.465 1.00 0.00 C ATOM 147 C TRP A 8 4.023 -0.128 0.929 1.00 0.00 C ATOM 148 O TRP A 8 5.129 0.066 0.422 1.00 0.00 O ATOM 149 CB TRP A 8 2.424 1.544 1.569 1.00 0.00 C ATOM 150 CG TRP A 8 1.276 2.342 1.225 1.00 0.00 C ATOM 151 CD1 TRP A 8 0.303 1.949 0.432 1.00 0.00 C ATOM 152 CD2 TRP A 8 0.984 3.640 1.662 1.00 0.00 C ATOM 153 NE1 TRP A 8 -0.608 2.962 0.271 1.00 0.00 N ATOM 154 CE2 TRP A 8 -0.211 4.023 1.049 1.00 0.00 C ATOM 155 CE3 TRP A 8 1.634 4.511 2.507 1.00 0.00 C ATOM 156 CZ2 TRP A 8 -0.780 5.275 1.259 1.00 0.00 C ATOM 157 CZ3 TRP A 8 1.084 5.745 2.726 1.00 0.00 C ATOM 158 CH2 TRP A 8 -0.117 6.127 2.104 1.00 0.00 C ATOM 0 H TRP A 8 0.894 -0.203 0.605 1.00 0.00 H new ATOM 0 HA TRP A 8 3.007 1.174 -0.441 1.00 0.00 H new ATOM 0 HB2 TRP A 8 2.208 0.973 2.472 1.00 0.00 H new ATOM 0 HB3 TRP A 8 3.263 2.201 1.800 1.00 0.00 H new ATOM 0 HD1 TRP A 8 0.232 0.973 -0.025 1.00 0.00 H new ATOM 0 HE1 TRP A 8 -1.437 2.933 -0.323 1.00 0.00 H new ATOM 0 HE3 TRP A 8 2.559 4.227 2.987 1.00 0.00 H new ATOM 0 HZ2 TRP A 8 -1.703 5.563 0.778 1.00 0.00 H new ATOM 0 HZ3 TRP A 8 1.582 6.438 3.389 1.00 0.00 H new ATOM 0 HH2 TRP A 8 -0.525 7.109 2.295 1.00 0.00 H new ATOM 169 N PRO A 9 3.812 -0.969 1.939 1.00 0.00 N ATOM 170 CA PRO A 9 4.864 -1.725 2.516 1.00 0.00 C ATOM 171 C PRO A 9 5.852 -2.191 1.464 1.00 0.00 C ATOM 172 O PRO A 9 7.063 -2.053 1.635 1.00 0.00 O ATOM 173 CB PRO A 9 4.104 -2.867 3.170 1.00 0.00 C ATOM 174 CG PRO A 9 2.894 -2.194 3.701 1.00 0.00 C ATOM 175 CD PRO A 9 2.521 -1.226 2.630 1.00 0.00 C ATOM 0 HA PRO A 9 5.485 -1.172 3.221 1.00 0.00 H new ATOM 0 HB2 PRO A 9 3.851 -3.648 2.453 1.00 0.00 H new ATOM 0 HB3 PRO A 9 4.685 -3.339 3.962 1.00 0.00 H new ATOM 0 HG2 PRO A 9 2.092 -2.907 3.892 1.00 0.00 H new ATOM 0 HG3 PRO A 9 3.100 -1.687 4.643 1.00 0.00 H new ATOM 0 HD2 PRO A 9 1.777 -1.643 1.951 1.00 0.00 H new ATOM 0 HD3 PRO A 9 2.097 -0.311 3.044 1.00 0.00 H new ATOM 183 N PHE A 10 5.333 -2.695 0.348 1.00 0.00 N ATOM 184 CA PHE A 10 6.210 -3.111 -0.742 1.00 0.00 C ATOM 185 C PHE A 10 6.370 -1.992 -1.770 1.00 0.00 C ATOM 186 O PHE A 10 7.471 -1.495 -2.003 1.00 0.00 O ATOM 187 CB PHE A 10 5.698 -4.355 -1.459 1.00 0.00 C ATOM 188 CG PHE A 10 4.303 -4.778 -1.115 1.00 0.00 C ATOM 189 CD1 PHE A 10 3.994 -5.300 0.130 1.00 0.00 C ATOM 190 CD2 PHE A 10 3.301 -4.664 -2.058 1.00 0.00 C ATOM 191 CE1 PHE A 10 2.706 -5.696 0.425 1.00 0.00 C ATOM 192 CE2 PHE A 10 2.018 -5.065 -1.774 1.00 0.00 C ATOM 193 CZ PHE A 10 1.715 -5.581 -0.530 1.00 0.00 C ATOM 0 H PHE A 10 4.336 -2.823 0.176 1.00 0.00 H new ATOM 0 HA PHE A 10 7.171 -3.344 -0.284 1.00 0.00 H new ATOM 0 HB2 PHE A 10 5.750 -4.179 -2.533 1.00 0.00 H new ATOM 0 HB3 PHE A 10 6.373 -5.182 -1.239 1.00 0.00 H new ATOM 0 HD1 PHE A 10 4.768 -5.398 0.877 1.00 0.00 H new ATOM 0 HD2 PHE A 10 3.529 -4.254 -3.031 1.00 0.00 H new ATOM 0 HE1 PHE A 10 2.473 -6.095 1.401 1.00 0.00 H new ATOM 0 HE2 PHE A 10 1.246 -4.976 -2.524 1.00 0.00 H new ATOM 0 HZ PHE A 10 0.706 -5.894 -0.304 1.00 0.00 H new ATOM 203 N LEU A 11 5.256 -1.623 -2.392 1.00 0.00 N ATOM 204 CA LEU A 11 5.228 -0.586 -3.418 1.00 0.00 C ATOM 205 C LEU A 11 5.922 0.707 -3.001 1.00 0.00 C ATOM 206 O LEU A 11 7.049 0.980 -3.413 1.00 0.00 O ATOM 207 CB LEU A 11 3.802 -0.252 -3.806 1.00 0.00 C ATOM 208 CG LEU A 11 2.999 -1.339 -4.519 1.00 0.00 C ATOM 209 CD1 LEU A 11 1.703 -0.733 -5.004 1.00 0.00 C ATOM 210 CD2 LEU A 11 3.783 -1.939 -5.677 1.00 0.00 C ATOM 0 H LEU A 11 4.344 -2.036 -2.199 1.00 0.00 H new ATOM 0 HA LEU A 11 5.775 -1.005 -4.262 1.00 0.00 H new ATOM 0 HB2 LEU A 11 3.262 0.028 -2.901 1.00 0.00 H new ATOM 0 HB3 LEU A 11 3.824 0.628 -4.449 1.00 0.00 H new ATOM 0 HG LEU A 11 2.792 -2.152 -3.823 1.00 0.00 H new ATOM 0 HD11 LEU A 11 1.115 -1.494 -5.516 1.00 0.00 H new ATOM 0 HD12 LEU A 11 1.139 -0.351 -4.153 1.00 0.00 H new ATOM 0 HD13 LEU A 11 1.919 0.084 -5.693 1.00 0.00 H new ATOM 0 HD21 LEU A 11 3.183 -2.709 -6.162 1.00 0.00 H new ATOM 0 HD22 LEU A 11 4.023 -1.157 -6.398 1.00 0.00 H new ATOM 0 HD23 LEU A 11 4.706 -2.381 -5.301 1.00 0.00 H new ATOM 222 N ARG A 12 5.211 1.521 -2.221 1.00 0.00 N ATOM 223 CA ARG A 12 5.715 2.819 -1.783 1.00 0.00 C ATOM 224 C ARG A 12 7.155 2.734 -1.276 1.00 0.00 C ATOM 225 O ARG A 12 7.974 3.605 -1.571 1.00 0.00 O ATOM 226 CB ARG A 12 4.791 3.411 -0.709 1.00 0.00 C ATOM 227 CG ARG A 12 5.170 3.051 0.715 1.00 0.00 C ATOM 228 CD ARG A 12 4.939 4.216 1.660 1.00 0.00 C ATOM 229 NE ARG A 12 5.756 5.375 1.312 1.00 0.00 N ATOM 230 CZ ARG A 12 5.703 6.536 1.958 1.00 0.00 C ATOM 231 NH1 ARG A 12 4.867 6.695 2.976 1.00 0.00 N ATOM 232 NH2 ARG A 12 6.485 7.539 1.586 1.00 0.00 N ATOM 0 H ARG A 12 4.276 1.300 -1.878 1.00 0.00 H new ATOM 0 HA ARG A 12 5.721 3.481 -2.649 1.00 0.00 H new ATOM 0 HB2 ARG A 12 4.789 4.497 -0.808 1.00 0.00 H new ATOM 0 HB3 ARG A 12 3.772 3.072 -0.897 1.00 0.00 H new ATOM 0 HG2 ARG A 12 4.584 2.192 1.043 1.00 0.00 H new ATOM 0 HG3 ARG A 12 6.218 2.754 0.750 1.00 0.00 H new ATOM 0 HD2 ARG A 12 3.886 4.496 1.639 1.00 0.00 H new ATOM 0 HD3 ARG A 12 5.166 3.906 2.680 1.00 0.00 H new ATOM 0 HE ARG A 12 6.404 5.289 0.529 1.00 0.00 H new ATOM 0 HH11 ARG A 12 4.263 5.926 3.265 1.00 0.00 H new ATOM 0 HH12 ARG A 12 4.828 7.587 3.470 1.00 0.00 H new ATOM 0 HH21 ARG A 12 7.128 7.421 0.803 1.00 0.00 H new ATOM 0 HH22 ARG A 12 6.444 8.429 2.082 1.00 0.00 H new ATOM 246 N ARG A 13 7.463 1.687 -0.519 1.00 0.00 N ATOM 247 CA ARG A 13 8.809 1.507 0.015 1.00 0.00 C ATOM 248 C ARG A 13 9.805 1.231 -1.106 1.00 0.00 C ATOM 249 O ARG A 13 10.312 2.209 -1.696 1.00 0.00 O ATOM 250 CB ARG A 13 8.832 0.364 1.033 1.00 0.00 C ATOM 251 CG ARG A 13 10.222 0.046 1.563 1.00 0.00 C ATOM 252 CD ARG A 13 10.178 -1.029 2.638 1.00 0.00 C ATOM 253 NE ARG A 13 11.515 -1.436 3.067 1.00 0.00 N ATOM 254 CZ ARG A 13 12.394 -0.618 3.642 1.00 0.00 C ATOM 255 NH1 ARG A 13 12.079 0.650 3.872 1.00 0.00 N ATOM 256 NH2 ARG A 13 13.591 -1.072 3.992 1.00 0.00 N ATOM 0 H ARG A 13 6.803 0.953 -0.262 1.00 0.00 H new ATOM 0 HA ARG A 13 9.101 2.430 0.516 1.00 0.00 H new ATOM 0 HB2 ARG A 13 8.184 0.622 1.870 1.00 0.00 H new ATOM 0 HB3 ARG A 13 8.415 -0.531 0.571 1.00 0.00 H new ATOM 0 HG2 ARG A 13 10.858 -0.285 0.742 1.00 0.00 H new ATOM 0 HG3 ARG A 13 10.673 0.951 1.971 1.00 0.00 H new ATOM 0 HD2 ARG A 13 9.620 -0.658 3.498 1.00 0.00 H new ATOM 0 HD3 ARG A 13 9.640 -1.898 2.259 1.00 0.00 H new ATOM 0 HE ARG A 13 11.791 -2.406 2.917 1.00 0.00 H new ATOM 0 HH11 ARG A 13 11.159 1.003 3.608 1.00 0.00 H new ATOM 0 HH12 ARG A 13 12.757 1.272 4.313 1.00 0.00 H new ATOM 0 HH21 ARG A 13 13.837 -2.047 3.820 1.00 0.00 H new ATOM 0 HH22 ARG A 13 14.265 -0.446 4.433 1.00 0.00 H new HETATM 270 N NH2 A 14 9.765 0.061 -1.728 1.00 0.00 N TER 273 NH2 A 14