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+ -165:sc= -0.0373 (180deg=-0.334) USER MOD ----------------------------------------------------------------- ATOM 1 N VAL A 1 6.632 -2.971 -6.019 1.00 0.00 N ATOM 2 CA VAL A 1 6.258 -2.618 -4.624 1.00 0.00 C ATOM 3 C VAL A 1 7.479 -2.607 -3.713 1.00 0.00 C ATOM 4 O VAL A 1 8.078 -3.651 -3.454 1.00 0.00 O ATOM 5 CB VAL A 1 5.228 -3.618 -4.055 1.00 0.00 C ATOM 6 CG1 VAL A 1 4.922 -3.318 -2.591 1.00 0.00 C ATOM 7 CG2 VAL A 1 3.953 -3.600 -4.885 1.00 0.00 C ATOM 0 H1 VAL A 1 5.850 -2.728 -6.660 1.00 0.00 H new ATOM 0 H2 VAL A 1 7.483 -2.441 -6.295 1.00 0.00 H new ATOM 0 H3 VAL A 1 6.825 -3.991 -6.079 1.00 0.00 H new ATOM 0 HA VAL A 1 5.819 -1.621 -4.656 1.00 0.00 H new ATOM 0 HB VAL A 1 5.662 -4.617 -4.108 1.00 0.00 H new ATOM 0 HG11 VAL A 1 4.194 -4.038 -2.217 1.00 0.00 H new ATOM 0 HG12 VAL A 1 5.838 -3.391 -2.005 1.00 0.00 H new ATOM 0 HG13 VAL A 1 4.515 -2.311 -2.503 1.00 0.00 H new ATOM 0 HG21 VAL A 1 3.238 -4.311 -4.470 1.00 0.00 H new ATOM 0 HG22 VAL A 1 3.521 -2.599 -4.867 1.00 0.00 H new ATOM 0 HG23 VAL A 1 4.184 -3.877 -5.913 1.00 0.00 H new ATOM 19 N ARG A 2 7.830 -1.428 -3.206 1.00 0.00 N ATOM 20 CA ARG A 2 8.965 -1.306 -2.301 1.00 0.00 C ATOM 21 C ARG A 2 8.592 -1.893 -0.954 1.00 0.00 C ATOM 22 O ARG A 2 9.129 -2.919 -0.533 1.00 0.00 O ATOM 23 CB ARG A 2 9.366 0.159 -2.118 1.00 0.00 C ATOM 24 CG ARG A 2 10.676 0.339 -1.369 1.00 0.00 C ATOM 25 CD ARG A 2 10.981 1.808 -1.123 1.00 0.00 C ATOM 26 NE ARG A 2 12.227 1.991 -0.382 1.00 0.00 N ATOM 27 CZ ARG A 2 12.695 3.178 -0.008 1.00 0.00 C ATOM 28 NH1 ARG A 2 12.024 4.284 -0.302 1.00 0.00 N ATOM 29 NH2 ARG A 2 13.836 3.259 0.663 1.00 0.00 N ATOM 0 H ARG A 2 7.348 -0.551 -3.405 1.00 0.00 H new ATOM 0 HA ARG A 2 9.810 -1.845 -2.729 1.00 0.00 H new ATOM 0 HB2 ARG A 2 9.449 0.630 -3.097 1.00 0.00 H new ATOM 0 HB3 ARG A 2 8.574 0.680 -1.580 1.00 0.00 H new ATOM 0 HG2 ARG A 2 10.627 -0.188 -0.416 1.00 0.00 H new ATOM 0 HG3 ARG A 2 11.488 -0.111 -1.940 1.00 0.00 H new ATOM 0 HD2 ARG A 2 11.047 2.330 -2.078 1.00 0.00 H new ATOM 0 HD3 ARG A 2 10.159 2.261 -0.568 1.00 0.00 H new ATOM 0 HE ARG A 2 12.768 1.162 -0.138 1.00 0.00 H new ATOM 0 HH11 ARG A 2 11.145 4.226 -0.817 1.00 0.00 H new ATOM 0 HH12 ARG A 2 12.387 5.193 -0.013 1.00 0.00 H new ATOM 0 HH21 ARG A 2 14.354 2.411 0.892 1.00 0.00 H new ATOM 0 HH22 ARG A 2 14.195 4.169 0.950 1.00 0.00 H new ATOM 43 N ARG A 3 7.652 -1.229 -0.292 1.00 0.00 N ATOM 44 CA ARG A 3 7.171 -1.664 1.008 1.00 0.00 C ATOM 45 C ARG A 3 6.039 -0.772 1.503 1.00 0.00 C ATOM 46 O ARG A 3 5.805 -0.669 2.707 1.00 0.00 O ATOM 47 CB ARG A 3 8.327 -1.677 2.013 1.00 0.00 C ATOM 48 CG ARG A 3 9.155 -0.399 2.009 1.00 0.00 C ATOM 49 CD ARG A 3 8.407 0.760 2.646 1.00 0.00 C ATOM 50 NE ARG A 3 8.245 0.570 4.080 1.00 0.00 N ATOM 51 CZ ARG A 3 7.685 1.466 4.888 1.00 0.00 C ATOM 52 NH1 ARG A 3 7.240 2.618 4.401 1.00 0.00 N ATOM 53 NH2 ARG A 3 7.571 1.212 6.185 1.00 0.00 N ATOM 0 H ARG A 3 7.206 -0.380 -0.640 1.00 0.00 H new ATOM 0 HA ARG A 3 6.775 -2.675 0.909 1.00 0.00 H new ATOM 0 HB2 ARG A 3 7.925 -1.836 3.014 1.00 0.00 H new ATOM 0 HB3 ARG A 3 8.979 -2.523 1.793 1.00 0.00 H new ATOM 0 HG2 ARG A 3 10.088 -0.569 2.546 1.00 0.00 H new ATOM 0 HG3 ARG A 3 9.420 -0.141 0.984 1.00 0.00 H new ATOM 0 HD2 ARG A 3 8.947 1.688 2.460 1.00 0.00 H new ATOM 0 HD3 ARG A 3 7.427 0.862 2.179 1.00 0.00 H new ATOM 0 HE ARG A 3 8.581 -0.302 4.489 1.00 0.00 H new ATOM 0 HH11 ARG A 3 7.327 2.818 3.405 1.00 0.00 H new ATOM 0 HH12 ARG A 3 6.811 3.303 5.023 1.00 0.00 H new ATOM 0 HH21 ARG A 3 7.913 0.329 6.564 1.00 0.00 H new ATOM 0 HH22 ARG A 3 7.141 1.900 6.804 1.00 0.00 H new ATOM 67 N PHE A 4 5.325 -0.140 0.575 1.00 0.00 N ATOM 68 CA PHE A 4 4.216 0.723 0.951 1.00 0.00 C ATOM 69 C PHE A 4 3.162 0.777 -0.150 1.00 0.00 C ATOM 70 O PHE A 4 1.973 0.760 0.130 1.00 0.00 O ATOM 71 CB PHE A 4 4.703 2.137 1.307 1.00 0.00 C ATOM 72 CG PHE A 4 4.849 3.071 0.134 1.00 0.00 C ATOM 73 CD1 PHE A 4 3.730 3.617 -0.486 1.00 0.00 C ATOM 74 CD2 PHE A 4 6.105 3.409 -0.341 1.00 0.00 C ATOM 75 CE1 PHE A 4 3.869 4.478 -1.558 1.00 0.00 C ATOM 76 CE2 PHE A 4 6.248 4.268 -1.414 1.00 0.00 C ATOM 77 CZ PHE A 4 5.129 4.804 -2.023 1.00 0.00 C ATOM 0 H PHE A 4 5.493 -0.209 -0.429 1.00 0.00 H new ATOM 0 HA PHE A 4 3.755 0.293 1.840 1.00 0.00 H new ATOM 0 HB2 PHE A 4 4.005 2.577 2.019 1.00 0.00 H new ATOM 0 HB3 PHE A 4 5.666 2.058 1.812 1.00 0.00 H new ATOM 0 HD1 PHE A 4 2.743 3.366 -0.126 1.00 0.00 H new ATOM 0 HD2 PHE A 4 6.983 2.996 0.133 1.00 0.00 H new ATOM 0 HE1 PHE A 4 2.993 4.896 -2.032 1.00 0.00 H new ATOM 0 HE2 PHE A 4 7.234 4.520 -1.776 1.00 0.00 H new ATOM 0 HZ PHE A 4 5.239 5.476 -2.861 1.00 0.00 H new ATOM 87 N ALA A 5 3.598 0.846 -1.399 1.00 0.00 N ATOM 88 CA ALA A 5 2.669 0.914 -2.520 1.00 0.00 C ATOM 89 C ALA A 5 2.110 -0.464 -2.883 1.00 0.00 C ATOM 90 O ALA A 5 2.260 -0.941 -4.008 1.00 0.00 O ATOM 91 CB ALA A 5 3.347 1.551 -3.711 1.00 0.00 C ATOM 0 H ALA A 5 4.583 0.856 -1.662 1.00 0.00 H new ATOM 0 HA ALA A 5 1.822 1.531 -2.219 1.00 0.00 H new ATOM 0 HB1 ALA A 5 2.647 1.599 -4.545 1.00 0.00 H new ATOM 0 HB2 ALA A 5 3.670 2.559 -3.450 1.00 0.00 H new ATOM 0 HB3 ALA A 5 4.214 0.955 -3.998 1.00 0.00 H new ATOM 97 N TRP A 6 1.464 -1.082 -1.910 1.00 0.00 N ATOM 98 CA TRP A 6 0.854 -2.401 -2.054 1.00 0.00 C ATOM 99 C TRP A 6 -0.316 -2.492 -1.107 1.00 0.00 C ATOM 100 O TRP A 6 -1.369 -3.040 -1.429 1.00 0.00 O ATOM 101 CB TRP A 6 1.821 -3.506 -1.651 1.00 0.00 C ATOM 102 CG TRP A 6 2.413 -3.247 -0.312 1.00 0.00 C ATOM 103 CD1 TRP A 6 3.111 -2.156 0.078 1.00 0.00 C ATOM 104 CD2 TRP A 6 2.324 -4.090 0.812 1.00 0.00 C ATOM 105 NE1 TRP A 6 3.423 -2.242 1.407 1.00 0.00 N ATOM 106 CE2 TRP A 6 2.961 -3.440 1.880 1.00 0.00 C ATOM 107 CE3 TRP A 6 1.755 -5.329 1.008 1.00 0.00 C ATOM 108 CZ2 TRP A 6 3.036 -3.999 3.145 1.00 0.00 C ATOM 109 CZ3 TRP A 6 1.830 -5.901 2.263 1.00 0.00 C ATOM 110 CH2 TRP A 6 2.465 -5.232 3.321 1.00 0.00 C ATOM 0 H TRP A 6 1.344 -0.679 -0.981 1.00 0.00 H new ATOM 0 HA TRP A 6 0.563 -2.524 -3.097 1.00 0.00 H new ATOM 0 HB2 TRP A 6 1.299 -4.463 -1.641 1.00 0.00 H new ATOM 0 HB3 TRP A 6 2.616 -3.585 -2.393 1.00 0.00 H new ATOM 0 HD1 TRP A 6 3.383 -1.334 -0.568 1.00 0.00 H new ATOM 0 HE1 TRP A 6 3.916 -1.534 1.952 1.00 0.00 H new ATOM 0 HE3 TRP A 6 1.260 -5.843 0.197 1.00 0.00 H new ATOM 0 HZ2 TRP A 6 3.524 -3.484 3.959 1.00 0.00 H new ATOM 0 HZ3 TRP A 6 1.395 -6.875 2.432 1.00 0.00 H new ATOM 0 HH2 TRP A 6 2.504 -5.699 4.294 1.00 0.00 H new ATOM 121 N TRP A 7 -0.086 -1.968 0.089 1.00 0.00 N ATOM 122 CA TRP A 7 -1.062 -1.981 1.135 1.00 0.00 C ATOM 123 C TRP A 7 -2.172 -1.030 0.853 1.00 0.00 C ATOM 124 O TRP A 7 -3.214 -1.094 1.480 1.00 0.00 O ATOM 125 CB TRP A 7 -0.404 -1.672 2.473 1.00 0.00 C ATOM 126 CG TRP A 7 0.290 -0.346 2.535 1.00 0.00 C ATOM 127 CD1 TRP A 7 1.611 -0.150 2.724 1.00 0.00 C ATOM 128 CD2 TRP A 7 -0.290 0.954 2.435 1.00 0.00 C ATOM 129 NE1 TRP A 7 1.902 1.189 2.749 1.00 0.00 N ATOM 130 CE2 TRP A 7 0.750 1.886 2.569 1.00 0.00 C ATOM 131 CE3 TRP A 7 -1.582 1.421 2.241 1.00 0.00 C ATOM 132 CZ2 TRP A 7 0.536 3.250 2.513 1.00 0.00 C ATOM 133 CZ3 TRP A 7 -1.798 2.765 2.180 1.00 0.00 C ATOM 134 CH2 TRP A 7 -0.747 3.676 2.315 1.00 0.00 C ATOM 0 H TRP A 7 0.794 -1.522 0.348 1.00 0.00 H new ATOM 0 HA TRP A 7 -1.495 -2.980 1.184 1.00 0.00 H new ATOM 0 HB2 TRP A 7 -1.164 -1.706 3.253 1.00 0.00 H new ATOM 0 HB3 TRP A 7 0.319 -2.456 2.697 1.00 0.00 H new ATOM 0 HD1 TRP A 7 2.339 -0.939 2.840 1.00 0.00 H new ATOM 0 HE1 TRP A 7 2.829 1.594 2.881 1.00 0.00 H new ATOM 0 HE3 TRP A 7 -2.405 0.729 2.140 1.00 0.00 H new ATOM 0 HZ2 TRP A 7 1.350 3.951 2.621 1.00 0.00 H new ATOM 0 HZ3 TRP A 7 -2.801 3.133 2.024 1.00 0.00 H new ATOM 0 HH2 TRP A 7 -0.952 4.735 2.262 1.00 0.00 H new ATOM 145 N TRP A 8 -1.958 -0.130 -0.073 1.00 0.00 N ATOM 146 CA TRP A 8 -2.986 0.830 -0.364 1.00 0.00 C ATOM 147 C TRP A 8 -4.213 0.118 -0.792 1.00 0.00 C ATOM 148 O TRP A 8 -5.292 0.294 -0.232 1.00 0.00 O ATOM 149 CB TRP A 8 -2.616 1.784 -1.473 1.00 0.00 C ATOM 150 CG TRP A 8 -1.390 2.504 -1.216 1.00 0.00 C ATOM 151 CD1 TRP A 8 -0.285 1.994 -0.695 1.00 0.00 C ATOM 152 CD2 TRP A 8 -1.162 3.852 -1.471 1.00 0.00 C ATOM 153 NE1 TRP A 8 0.669 2.974 -0.575 1.00 0.00 N ATOM 154 CE2 TRP A 8 0.140 4.146 -1.061 1.00 0.00 C ATOM 155 CE3 TRP A 8 -1.955 4.829 -2.007 1.00 0.00 C ATOM 156 CZ2 TRP A 8 0.673 5.426 -1.176 1.00 0.00 C ATOM 157 CZ3 TRP A 8 -1.450 6.091 -2.126 1.00 0.00 C ATOM 158 CH2 TRP A 8 -0.141 6.393 -1.711 1.00 0.00 C ATOM 0 H TRP A 8 -1.104 -0.043 -0.624 1.00 0.00 H new ATOM 0 HA TRP A 8 -3.134 1.405 0.550 1.00 0.00 H new ATOM 0 HB2 TRP A 8 -2.515 1.227 -2.405 1.00 0.00 H new ATOM 0 HB3 TRP A 8 -3.427 2.498 -1.615 1.00 0.00 H new ATOM 0 HD1 TRP A 8 -0.154 0.961 -0.407 1.00 0.00 H new ATOM 0 HE1 TRP A 8 1.607 2.853 -0.192 1.00 0.00 H new ATOM 0 HE3 TRP A 8 -2.961 4.606 -2.330 1.00 0.00 H new ATOM 0 HZ2 TRP A 8 1.681 5.649 -0.859 1.00 0.00 H new ATOM 0 HZ3 TRP A 8 -2.067 6.872 -2.546 1.00 0.00 H new ATOM 0 HH2 TRP A 8 0.230 7.402 -1.815 1.00 0.00 H new ATOM 169 N PRO A 9 -4.058 -0.686 -1.839 1.00 0.00 N ATOM 170 CA PRO A 9 -5.149 -1.411 -2.391 1.00 0.00 C ATOM 171 C PRO A 9 -6.047 -2.003 -1.312 1.00 0.00 C ATOM 172 O PRO A 9 -7.272 -1.922 -1.408 1.00 0.00 O ATOM 173 CB PRO A 9 -4.448 -2.470 -3.231 1.00 0.00 C ATOM 174 CG PRO A 9 -3.258 -1.751 -3.750 1.00 0.00 C ATOM 175 CD PRO A 9 -2.806 -0.916 -2.604 1.00 0.00 C ATOM 0 HA PRO A 9 -5.833 -0.796 -2.975 1.00 0.00 H new ATOM 0 HB2 PRO A 9 -4.167 -3.338 -2.634 1.00 0.00 H new ATOM 0 HB3 PRO A 9 -5.085 -2.832 -4.038 1.00 0.00 H new ATOM 0 HG2 PRO A 9 -2.480 -2.446 -4.067 1.00 0.00 H new ATOM 0 HG3 PRO A 9 -3.510 -1.137 -4.615 1.00 0.00 H new ATOM 0 HD2 PRO A 9 -2.055 -1.429 -2.003 1.00 0.00 H new ATOM 0 HD3 PRO A 9 -2.361 0.021 -2.939 1.00 0.00 H new ATOM 183 N PHE A 10 -5.443 -2.561 -0.263 1.00 0.00 N ATOM 184 CA PHE A 10 -6.236 -3.109 0.834 1.00 0.00 C ATOM 185 C PHE A 10 -6.411 -2.088 1.953 1.00 0.00 C ATOM 186 O PHE A 10 -7.529 -1.677 2.258 1.00 0.00 O ATOM 187 CB PHE A 10 -5.619 -4.358 1.441 1.00 0.00 C ATOM 188 CG PHE A 10 -4.289 -4.760 0.895 1.00 0.00 C ATOM 189 CD1 PHE A 10 -4.164 -5.355 -0.349 1.00 0.00 C ATOM 190 CD2 PHE A 10 -3.160 -4.566 1.657 1.00 0.00 C ATOM 191 CE1 PHE A 10 -2.925 -5.744 -0.817 1.00 0.00 C ATOM 192 CE2 PHE A 10 -1.928 -4.946 1.199 1.00 0.00 C ATOM 193 CZ PHE A 10 -1.801 -5.536 -0.042 1.00 0.00 C ATOM 0 H PHE A 10 -4.433 -2.644 -0.151 1.00 0.00 H new ATOM 0 HA PHE A 10 -7.199 -3.366 0.393 1.00 0.00 H new ATOM 0 HB2 PHE A 10 -5.518 -4.204 2.515 1.00 0.00 H new ATOM 0 HB3 PHE A 10 -6.313 -5.187 1.302 1.00 0.00 H new ATOM 0 HD1 PHE A 10 -5.042 -5.516 -0.957 1.00 0.00 H new ATOM 0 HD2 PHE A 10 -3.248 -4.107 2.631 1.00 0.00 H new ATOM 0 HE1 PHE A 10 -2.835 -6.210 -1.787 1.00 0.00 H new ATOM 0 HE2 PHE A 10 -1.053 -4.784 1.810 1.00 0.00 H new ATOM 0 HZ PHE A 10 -0.828 -5.833 -0.405 1.00 0.00 H new ATOM 203 N LEU A 11 -5.295 -1.705 2.579 1.00 0.00 N ATOM 204 CA LEU A 11 -5.323 -0.752 3.686 1.00 0.00 C ATOM 205 C LEU A 11 -6.305 0.380 3.417 1.00 0.00 C ATOM 206 O LEU A 11 -7.177 0.674 4.235 1.00 0.00 O ATOM 207 CB LEU A 11 -3.946 -0.145 3.958 1.00 0.00 C ATOM 208 CG LEU A 11 -2.911 -1.061 4.618 1.00 0.00 C ATOM 209 CD1 LEU A 11 -1.730 -0.229 5.073 1.00 0.00 C ATOM 210 CD2 LEU A 11 -3.514 -1.823 5.791 1.00 0.00 C ATOM 0 H LEU A 11 -4.363 -2.041 2.337 1.00 0.00 H new ATOM 0 HA LEU A 11 -5.641 -1.317 4.562 1.00 0.00 H new ATOM 0 HB2 LEU A 11 -3.536 0.206 3.011 1.00 0.00 H new ATOM 0 HB3 LEU A 11 -4.079 0.731 4.592 1.00 0.00 H new ATOM 0 HG LEU A 11 -2.578 -1.799 3.888 1.00 0.00 H new ATOM 0 HD11 LEU A 11 -0.989 -0.875 5.544 1.00 0.00 H new ATOM 0 HD12 LEU A 11 -1.283 0.269 4.213 1.00 0.00 H new ATOM 0 HD13 LEU A 11 -2.067 0.519 5.790 1.00 0.00 H new ATOM 0 HD21 LEU A 11 -2.754 -2.464 6.238 1.00 0.00 H new ATOM 0 HD22 LEU A 11 -3.876 -1.115 6.537 1.00 0.00 H new ATOM 0 HD23 LEU A 11 -4.344 -2.435 5.439 1.00 0.00 H new ATOM 222 N ARG A 12 -6.143 1.015 2.263 1.00 0.00 N ATOM 223 CA ARG A 12 -6.996 2.126 1.866 1.00 0.00 C ATOM 224 C ARG A 12 -8.427 1.668 1.599 1.00 0.00 C ATOM 225 O ARG A 12 -9.346 2.009 2.344 1.00 0.00 O ATOM 226 CB ARG A 12 -6.423 2.796 0.618 1.00 0.00 C ATOM 227 CG ARG A 12 -5.097 3.487 0.838 1.00 0.00 C ATOM 228 CD ARG A 12 -4.666 4.204 -0.423 1.00 0.00 C ATOM 229 NE ARG A 12 -5.335 5.494 -0.583 1.00 0.00 N ATOM 230 CZ ARG A 12 -5.186 6.516 0.256 1.00 0.00 C ATOM 231 NH1 ARG A 12 -4.382 6.409 1.306 1.00 0.00 N ATOM 232 NH2 ARG A 12 -5.838 7.651 0.042 1.00 0.00 N ATOM 0 H ARG A 12 -5.423 0.776 1.581 1.00 0.00 H new ATOM 0 HA ARG A 12 -7.023 2.841 2.689 1.00 0.00 H new ATOM 0 HB2 ARG A 12 -6.303 2.044 -0.162 1.00 0.00 H new ATOM 0 HB3 ARG A 12 -7.143 3.526 0.248 1.00 0.00 H new ATOM 0 HG2 ARG A 12 -5.181 4.199 1.659 1.00 0.00 H new ATOM 0 HG3 ARG A 12 -4.341 2.756 1.126 1.00 0.00 H new ATOM 0 HD2 ARG A 12 -3.587 4.357 -0.401 1.00 0.00 H new ATOM 0 HD3 ARG A 12 -4.881 3.576 -1.287 1.00 0.00 H new ATOM 0 HE ARG A 12 -5.953 5.618 -1.385 1.00 0.00 H new ATOM 0 HH11 ARG A 12 -3.874 5.540 1.473 1.00 0.00 H new ATOM 0 HH12 ARG A 12 -4.271 7.196 1.946 1.00 0.00 H new ATOM 0 HH21 ARG A 12 -6.454 7.741 -0.766 1.00 0.00 H new ATOM 0 HH22 ARG A 12 -5.723 8.434 0.685 1.00 0.00 H new ATOM 246 N ARG A 13 -8.611 0.900 0.530 1.00 0.00 N ATOM 247 CA ARG A 13 -9.933 0.403 0.166 1.00 0.00 C ATOM 248 C ARG A 13 -10.421 -0.638 1.166 1.00 0.00 C ATOM 249 O ARG A 13 -11.642 -0.900 1.194 1.00 0.00 O ATOM 250 CB ARG A 13 -9.907 -0.193 -1.243 1.00 0.00 C ATOM 251 CG ARG A 13 -9.548 0.816 -2.321 1.00 0.00 C ATOM 252 CD ARG A 13 -9.569 0.188 -3.705 1.00 0.00 C ATOM 253 NE ARG A 13 -9.267 1.162 -4.751 1.00 0.00 N ATOM 254 CZ ARG A 13 -9.223 0.865 -6.047 1.00 0.00 C ATOM 255 NH1 ARG A 13 -9.454 -0.376 -6.456 1.00 0.00 N ATOM 256 NH2 ARG A 13 -8.948 1.810 -6.936 1.00 0.00 N ATOM 0 H ARG A 13 -7.862 0.609 -0.099 1.00 0.00 H new ATOM 0 HA ARG A 13 -10.626 1.244 0.183 1.00 0.00 H new ATOM 0 HB2 ARG A 13 -9.188 -1.012 -1.269 1.00 0.00 H new ATOM 0 HB3 ARG A 13 -10.885 -0.619 -1.467 1.00 0.00 H new ATOM 0 HG2 ARG A 13 -10.250 1.649 -2.288 1.00 0.00 H new ATOM 0 HG3 ARG A 13 -8.558 1.225 -2.122 1.00 0.00 H new ATOM 0 HD2 ARG A 13 -8.844 -0.625 -3.746 1.00 0.00 H new ATOM 0 HD3 ARG A 13 -10.550 -0.250 -3.890 1.00 0.00 H new ATOM 0 HE ARG A 13 -9.079 2.125 -4.472 1.00 0.00 H new ATOM 0 HH11 ARG A 13 -9.666 -1.106 -5.776 1.00 0.00 H new ATOM 0 HH12 ARG A 13 -9.419 -0.600 -7.451 1.00 0.00 H new ATOM 0 HH21 ARG A 13 -8.770 2.765 -6.626 1.00 0.00 H new ATOM 0 HH22 ARG A 13 -8.914 1.581 -7.929 1.00 0.00 H new HETATM 270 N NH2 A 14 -9.894 -1.855 1.140 1.00 0.00 N TER 273 NH2 A 14