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+ 168:sc= -0.0684 (180deg=-0.424) USER MOD ----------------------------------------------------------------- ATOM 1 N VAL A 1 7.841 4.479 3.993 1.00 0.00 N ATOM 2 CA VAL A 1 6.993 3.558 3.193 1.00 0.00 C ATOM 3 C VAL A 1 7.831 2.583 2.383 1.00 0.00 C ATOM 4 O VAL A 1 8.834 2.961 1.777 1.00 0.00 O ATOM 5 CB VAL A 1 6.078 4.327 2.217 1.00 0.00 C ATOM 6 CG1 VAL A 1 6.876 5.364 1.442 1.00 0.00 C ATOM 7 CG2 VAL A 1 5.389 3.358 1.257 1.00 0.00 C ATOM 0 H1 VAL A 1 7.255 5.252 4.369 1.00 0.00 H new ATOM 0 H2 VAL A 1 8.273 3.956 4.782 1.00 0.00 H new ATOM 0 H3 VAL A 1 8.589 4.875 3.389 1.00 0.00 H new ATOM 0 HA VAL A 1 6.385 3.011 3.913 1.00 0.00 H new ATOM 0 HB VAL A 1 5.313 4.844 2.797 1.00 0.00 H new ATOM 0 HG11 VAL A 1 6.214 5.896 0.759 1.00 0.00 H new ATOM 0 HG12 VAL A 1 7.325 6.073 2.138 1.00 0.00 H new ATOM 0 HG13 VAL A 1 7.662 4.867 0.873 1.00 0.00 H new ATOM 0 HG21 VAL A 1 4.747 3.916 0.575 1.00 0.00 H new ATOM 0 HG22 VAL A 1 6.142 2.816 0.685 1.00 0.00 H new ATOM 0 HG23 VAL A 1 4.786 2.650 1.825 1.00 0.00 H new ATOM 19 N ARG A 2 7.387 1.334 2.349 1.00 0.00 N ATOM 20 CA ARG A 2 8.066 0.306 1.580 1.00 0.00 C ATOM 21 C ARG A 2 7.870 0.580 0.094 1.00 0.00 C ATOM 22 O ARG A 2 8.162 1.678 -0.378 1.00 0.00 O ATOM 23 CB ARG A 2 7.534 -1.079 1.957 1.00 0.00 C ATOM 24 CG ARG A 2 7.875 -1.489 3.375 1.00 0.00 C ATOM 25 CD ARG A 2 9.378 -1.542 3.562 1.00 0.00 C ATOM 26 NE ARG A 2 9.759 -2.184 4.819 1.00 0.00 N ATOM 27 CZ ARG A 2 9.446 -1.705 6.021 1.00 0.00 C ATOM 28 NH1 ARG A 2 8.760 -0.575 6.134 1.00 0.00 N ATOM 29 NH2 ARG A 2 9.825 -2.355 7.113 1.00 0.00 N ATOM 0 H ARG A 2 6.558 1.010 2.847 1.00 0.00 H new ATOM 0 HA ARG A 2 9.132 0.325 1.805 1.00 0.00 H new ATOM 0 HB2 ARG A 2 6.451 -1.090 1.834 1.00 0.00 H new ATOM 0 HB3 ARG A 2 7.941 -1.817 1.266 1.00 0.00 H new ATOM 0 HG2 ARG A 2 7.439 -0.781 4.080 1.00 0.00 H new ATOM 0 HG3 ARG A 2 7.440 -2.465 3.593 1.00 0.00 H new ATOM 0 HD2 ARG A 2 9.826 -2.084 2.729 1.00 0.00 H new ATOM 0 HD3 ARG A 2 9.781 -0.529 3.537 1.00 0.00 H new ATOM 0 HE ARG A 2 10.296 -3.050 4.772 1.00 0.00 H new ATOM 0 HH11 ARG A 2 8.470 -0.069 5.297 1.00 0.00 H new ATOM 0 HH12 ARG A 2 8.523 -0.213 7.057 1.00 0.00 H new ATOM 0 HH21 ARG A 2 10.356 -3.222 7.032 1.00 0.00 H new ATOM 0 HH22 ARG A 2 9.585 -1.988 8.034 1.00 0.00 H new ATOM 43 N ARG A 3 7.354 -0.400 -0.639 1.00 0.00 N ATOM 44 CA ARG A 3 7.106 -0.230 -2.060 1.00 0.00 C ATOM 45 C ARG A 3 5.856 -0.975 -2.456 1.00 0.00 C ATOM 46 O ARG A 3 5.642 -1.292 -3.627 1.00 0.00 O ATOM 47 CB ARG A 3 8.296 -0.717 -2.881 1.00 0.00 C ATOM 48 CG ARG A 3 9.574 0.040 -2.577 1.00 0.00 C ATOM 49 CD ARG A 3 9.442 1.506 -2.940 1.00 0.00 C ATOM 50 NE ARG A 3 10.489 2.313 -2.321 1.00 0.00 N ATOM 51 CZ ARG A 3 10.634 3.618 -2.528 1.00 0.00 C ATOM 52 NH1 ARG A 3 9.803 4.262 -3.336 1.00 0.00 N ATOM 53 NH2 ARG A 3 11.611 4.281 -1.924 1.00 0.00 N ATOM 0 H ARG A 3 7.101 -1.317 -0.271 1.00 0.00 H new ATOM 0 HA ARG A 3 6.967 0.832 -2.263 1.00 0.00 H new ATOM 0 HB2 ARG A 3 8.454 -1.778 -2.688 1.00 0.00 H new ATOM 0 HB3 ARG A 3 8.064 -0.617 -3.941 1.00 0.00 H new ATOM 0 HG2 ARG A 3 9.813 -0.055 -1.518 1.00 0.00 H new ATOM 0 HG3 ARG A 3 10.402 -0.402 -3.131 1.00 0.00 H new ATOM 0 HD2 ARG A 3 9.489 1.618 -4.023 1.00 0.00 H new ATOM 0 HD3 ARG A 3 8.465 1.873 -2.624 1.00 0.00 H new ATOM 0 HE ARG A 3 11.147 1.849 -1.694 1.00 0.00 H new ATOM 0 HH11 ARG A 3 9.049 3.756 -3.801 1.00 0.00 H new ATOM 0 HH12 ARG A 3 9.917 5.263 -3.492 1.00 0.00 H new ATOM 0 HH21 ARG A 3 12.251 3.790 -1.300 1.00 0.00 H new ATOM 0 HH22 ARG A 3 11.722 5.282 -2.083 1.00 0.00 H new ATOM 67 N PHE A 4 5.023 -1.234 -1.465 1.00 0.00 N ATOM 68 CA PHE A 4 3.774 -1.924 -1.697 1.00 0.00 C ATOM 69 C PHE A 4 2.845 -1.762 -0.500 1.00 0.00 C ATOM 70 O PHE A 4 1.657 -1.529 -0.661 1.00 0.00 O ATOM 71 CB PHE A 4 4.016 -3.402 -1.940 1.00 0.00 C ATOM 72 CG PHE A 4 4.208 -4.134 -0.660 1.00 0.00 C ATOM 73 CD1 PHE A 4 5.408 -4.041 0.014 1.00 0.00 C ATOM 74 CD2 PHE A 4 3.177 -4.878 -0.115 1.00 0.00 C ATOM 75 CE1 PHE A 4 5.591 -4.688 1.216 1.00 0.00 C ATOM 76 CE2 PHE A 4 3.352 -5.535 1.089 1.00 0.00 C ATOM 77 CZ PHE A 4 4.562 -5.441 1.756 1.00 0.00 C ATOM 0 H PHE A 4 5.191 -0.976 -0.493 1.00 0.00 H new ATOM 0 HA PHE A 4 3.309 -1.485 -2.580 1.00 0.00 H new ATOM 0 HB2 PHE A 4 3.171 -3.827 -2.482 1.00 0.00 H new ATOM 0 HB3 PHE A 4 4.896 -3.530 -2.571 1.00 0.00 H new ATOM 0 HD1 PHE A 4 6.212 -3.455 -0.405 1.00 0.00 H new ATOM 0 HD2 PHE A 4 2.231 -4.946 -0.632 1.00 0.00 H new ATOM 0 HE1 PHE A 4 6.534 -4.608 1.736 1.00 0.00 H new ATOM 0 HE2 PHE A 4 2.547 -6.120 1.508 1.00 0.00 H new ATOM 0 HZ PHE A 4 4.703 -5.954 2.696 1.00 0.00 H new ATOM 87 N ALA A 5 3.406 -1.906 0.696 1.00 0.00 N ATOM 88 CA ALA A 5 2.647 -1.797 1.931 1.00 0.00 C ATOM 89 C ALA A 5 2.321 -0.348 2.240 1.00 0.00 C ATOM 90 O ALA A 5 2.610 0.164 3.322 1.00 0.00 O ATOM 91 CB ALA A 5 3.426 -2.428 3.058 1.00 0.00 C ATOM 0 H ALA A 5 4.398 -2.101 0.834 1.00 0.00 H new ATOM 0 HA ALA A 5 1.702 -2.327 1.815 1.00 0.00 H new ATOM 0 HB1 ALA A 5 2.857 -2.346 3.984 1.00 0.00 H new ATOM 0 HB2 ALA A 5 3.604 -3.480 2.833 1.00 0.00 H new ATOM 0 HB3 ALA A 5 4.381 -1.915 3.172 1.00 0.00 H new ATOM 97 N TRP A 6 1.728 0.295 1.261 1.00 0.00 N ATOM 98 CA TRP A 6 1.345 1.681 1.342 1.00 0.00 C ATOM 99 C TRP A 6 0.112 1.874 0.512 1.00 0.00 C ATOM 100 O TRP A 6 -0.840 2.512 0.934 1.00 0.00 O ATOM 101 CB TRP A 6 2.456 2.544 0.779 1.00 0.00 C ATOM 102 CG TRP A 6 2.732 2.248 -0.654 1.00 0.00 C ATOM 103 CD1 TRP A 6 3.339 1.137 -1.140 1.00 0.00 C ATOM 104 CD2 TRP A 6 2.413 3.057 -1.779 1.00 0.00 C ATOM 105 NE1 TRP A 6 3.375 1.171 -2.507 1.00 0.00 N ATOM 106 CE2 TRP A 6 2.827 2.355 -2.927 1.00 0.00 C ATOM 107 CE3 TRP A 6 1.808 4.300 -1.928 1.00 0.00 C ATOM 108 CZ2 TRP A 6 2.651 2.861 -4.208 1.00 0.00 C ATOM 109 CZ3 TRP A 6 1.639 4.805 -3.195 1.00 0.00 C ATOM 110 CH2 TRP A 6 2.057 4.089 -4.325 1.00 0.00 C ATOM 0 H TRP A 6 1.495 -0.142 0.369 1.00 0.00 H new ATOM 0 HA TRP A 6 1.159 1.960 2.379 1.00 0.00 H new ATOM 0 HB2 TRP A 6 2.186 3.595 0.885 1.00 0.00 H new ATOM 0 HB3 TRP A 6 3.364 2.388 1.361 1.00 0.00 H new ATOM 0 HD1 TRP A 6 3.738 0.338 -0.533 1.00 0.00 H new ATOM 0 HE1 TRP A 6 3.747 0.439 -3.112 1.00 0.00 H new ATOM 0 HE3 TRP A 6 1.477 4.858 -1.065 1.00 0.00 H new ATOM 0 HZ2 TRP A 6 2.970 2.307 -5.079 1.00 0.00 H new ATOM 0 HZ3 TRP A 6 1.175 5.772 -3.322 1.00 0.00 H new ATOM 0 HH2 TRP A 6 1.908 4.514 -5.307 1.00 0.00 H new ATOM 121 N TRP A 7 0.156 1.298 -0.682 1.00 0.00 N ATOM 122 CA TRP A 7 -0.930 1.375 -1.606 1.00 0.00 C ATOM 123 C TRP A 7 -2.100 0.587 -1.106 1.00 0.00 C ATOM 124 O TRP A 7 -3.210 0.761 -1.582 1.00 0.00 O ATOM 125 CB TRP A 7 -0.494 0.898 -2.983 1.00 0.00 C ATOM 126 CG TRP A 7 0.029 -0.503 -3.026 1.00 0.00 C ATOM 127 CD1 TRP A 7 1.281 -0.870 -3.360 1.00 0.00 C ATOM 128 CD2 TRP A 7 -0.675 -1.714 -2.751 1.00 0.00 C ATOM 129 NE1 TRP A 7 1.413 -2.230 -3.320 1.00 0.00 N ATOM 130 CE2 TRP A 7 0.227 -2.769 -2.943 1.00 0.00 C ATOM 131 CE3 TRP A 7 -1.971 -2.009 -2.362 1.00 0.00 C ATOM 132 CZ2 TRP A 7 -0.122 -4.089 -2.757 1.00 0.00 C ATOM 133 CZ3 TRP A 7 -2.324 -3.312 -2.173 1.00 0.00 C ATOM 134 CH2 TRP A 7 -1.405 -4.349 -2.368 1.00 0.00 C ATOM 0 H TRP A 7 0.956 0.766 -1.023 1.00 0.00 H new ATOM 0 HA TRP A 7 -1.239 2.416 -1.694 1.00 0.00 H new ATOM 0 HB2 TRP A 7 -1.342 0.975 -3.664 1.00 0.00 H new ATOM 0 HB3 TRP A 7 0.278 1.570 -3.357 1.00 0.00 H new ATOM 0 HD1 TRP A 7 2.072 -0.184 -3.623 1.00 0.00 H new ATOM 0 HE1 TRP A 7 2.262 -2.752 -3.537 1.00 0.00 H new ATOM 0 HE3 TRP A 7 -2.691 -1.219 -2.211 1.00 0.00 H new ATOM 0 HZ2 TRP A 7 0.590 -4.886 -2.913 1.00 0.00 H new ATOM 0 HZ3 TRP A 7 -3.332 -3.549 -1.867 1.00 0.00 H new ATOM 0 HH2 TRP A 7 -1.715 -5.371 -2.208 1.00 0.00 H new ATOM 145 N TRP A 8 -1.865 -0.300 -0.151 1.00 0.00 N ATOM 146 CA TRP A 8 -2.963 -1.092 0.346 1.00 0.00 C ATOM 147 C TRP A 8 -4.049 -0.163 0.767 1.00 0.00 C ATOM 148 O TRP A 8 -5.178 -0.222 0.286 1.00 0.00 O ATOM 149 CB TRP A 8 -2.613 -1.952 1.538 1.00 0.00 C ATOM 150 CG TRP A 8 -1.552 -2.887 1.257 1.00 0.00 C ATOM 151 CD1 TRP A 8 -0.416 -2.607 0.633 1.00 0.00 C ATOM 152 CD2 TRP A 8 -1.544 -4.240 1.584 1.00 0.00 C ATOM 153 NE1 TRP A 8 0.343 -3.746 0.520 1.00 0.00 N ATOM 154 CE2 TRP A 8 -0.345 -4.780 1.115 1.00 0.00 C ATOM 155 CE3 TRP A 8 -2.455 -5.034 2.233 1.00 0.00 C ATOM 156 CZ2 TRP A 8 -0.032 -6.126 1.280 1.00 0.00 C ATOM 157 CZ3 TRP A 8 -2.164 -6.362 2.404 1.00 0.00 C ATOM 158 CH2 TRP A 8 -0.957 -6.906 1.929 1.00 0.00 C ATOM 0 H TRP A 8 -0.957 -0.481 0.278 1.00 0.00 H new ATOM 0 HA TRP A 8 -3.256 -1.763 -0.462 1.00 0.00 H new ATOM 0 HB2 TRP A 8 -2.317 -1.311 2.369 1.00 0.00 H new ATOM 0 HB3 TRP A 8 -3.499 -2.500 1.858 1.00 0.00 H new ATOM 0 HD1 TRP A 8 -0.131 -1.631 0.269 1.00 0.00 H new ATOM 0 HE1 TRP A 8 1.257 -3.814 0.073 1.00 0.00 H new ATOM 0 HE3 TRP A 8 -3.382 -4.621 2.602 1.00 0.00 H new ATOM 0 HZ2 TRP A 8 0.897 -6.538 0.914 1.00 0.00 H new ATOM 0 HZ3 TRP A 8 -2.872 -7.001 2.911 1.00 0.00 H new ATOM 0 HH2 TRP A 8 -0.754 -7.956 2.077 1.00 0.00 H new ATOM 169 N PRO A 9 -3.699 0.713 1.712 1.00 0.00 N ATOM 170 CA PRO A 9 -4.617 1.668 2.247 1.00 0.00 C ATOM 171 C PRO A 9 -5.446 2.368 1.170 1.00 0.00 C ATOM 172 O PRO A 9 -6.661 2.496 1.308 1.00 0.00 O ATOM 173 CB PRO A 9 -3.696 2.643 2.973 1.00 0.00 C ATOM 174 CG PRO A 9 -2.602 1.781 3.472 1.00 0.00 C ATOM 175 CD PRO A 9 -2.370 0.811 2.371 1.00 0.00 C ATOM 0 HA PRO A 9 -5.369 1.210 2.890 1.00 0.00 H new ATOM 0 HB2 PRO A 9 -3.323 3.417 2.302 1.00 0.00 H new ATOM 0 HB3 PRO A 9 -4.211 3.150 3.789 1.00 0.00 H new ATOM 0 HG2 PRO A 9 -1.705 2.361 3.687 1.00 0.00 H new ATOM 0 HG3 PRO A 9 -2.883 1.275 4.396 1.00 0.00 H new ATOM 0 HD2 PRO A 9 -1.604 1.163 1.680 1.00 0.00 H new ATOM 0 HD3 PRO A 9 -2.037 -0.155 2.750 1.00 0.00 H new ATOM 183 N PHE A 10 -4.801 2.810 0.087 1.00 0.00 N ATOM 184 CA PHE A 10 -5.545 3.472 -0.988 1.00 0.00 C ATOM 185 C PHE A 10 -6.237 2.434 -1.858 1.00 0.00 C ATOM 186 O PHE A 10 -7.459 2.424 -1.996 1.00 0.00 O ATOM 187 CB PHE A 10 -4.661 4.310 -1.925 1.00 0.00 C ATOM 188 CG PHE A 10 -3.430 4.928 -1.332 1.00 0.00 C ATOM 189 CD1 PHE A 10 -2.385 4.142 -0.892 1.00 0.00 C ATOM 190 CD2 PHE A 10 -3.289 6.304 -1.277 1.00 0.00 C ATOM 191 CE1 PHE A 10 -1.243 4.697 -0.404 1.00 0.00 C ATOM 192 CE2 PHE A 10 -2.130 6.873 -0.792 1.00 0.00 C ATOM 193 CZ PHE A 10 -1.103 6.063 -0.353 1.00 0.00 C ATOM 0 H PHE A 10 -3.796 2.726 -0.068 1.00 0.00 H new ATOM 0 HA PHE A 10 -6.250 4.133 -0.485 1.00 0.00 H new ATOM 0 HB2 PHE A 10 -4.354 3.676 -2.757 1.00 0.00 H new ATOM 0 HB3 PHE A 10 -5.273 5.109 -2.342 1.00 0.00 H new ATOM 0 HD1 PHE A 10 -2.475 3.067 -0.936 1.00 0.00 H new ATOM 0 HD2 PHE A 10 -4.094 6.938 -1.617 1.00 0.00 H new ATOM 0 HE1 PHE A 10 -0.443 4.061 -0.055 1.00 0.00 H new ATOM 0 HE2 PHE A 10 -2.027 7.947 -0.756 1.00 0.00 H new ATOM 0 HZ PHE A 10 -0.193 6.501 0.029 1.00 0.00 H new ATOM 203 N LEU A 11 -5.418 1.589 -2.475 1.00 0.00 N ATOM 204 CA LEU A 11 -5.895 0.557 -3.380 1.00 0.00 C ATOM 205 C LEU A 11 -6.922 -0.362 -2.723 1.00 0.00 C ATOM 206 O LEU A 11 -8.091 -0.380 -3.110 1.00 0.00 O ATOM 207 CB LEU A 11 -4.725 -0.283 -3.901 1.00 0.00 C ATOM 208 CG LEU A 11 -3.502 0.500 -4.396 1.00 0.00 C ATOM 209 CD1 LEU A 11 -2.547 -0.432 -5.116 1.00 0.00 C ATOM 210 CD2 LEU A 11 -3.904 1.665 -5.290 1.00 0.00 C ATOM 0 H LEU A 11 -4.405 1.603 -2.360 1.00 0.00 H new ATOM 0 HA LEU A 11 -6.383 1.069 -4.209 1.00 0.00 H new ATOM 0 HB2 LEU A 11 -4.404 -0.955 -3.105 1.00 0.00 H new ATOM 0 HB3 LEU A 11 -5.087 -0.907 -4.718 1.00 0.00 H new ATOM 0 HG LEU A 11 -2.996 0.922 -3.528 1.00 0.00 H new ATOM 0 HD11 LEU A 11 -1.682 0.132 -5.464 1.00 0.00 H new ATOM 0 HD12 LEU A 11 -2.219 -1.215 -4.433 1.00 0.00 H new ATOM 0 HD13 LEU A 11 -3.053 -0.883 -5.969 1.00 0.00 H new ATOM 0 HD21 LEU A 11 -3.011 2.195 -5.620 1.00 0.00 H new ATOM 0 HD22 LEU A 11 -4.444 1.288 -6.158 1.00 0.00 H new ATOM 0 HD23 LEU A 11 -4.545 2.347 -4.732 1.00 0.00 H new ATOM 222 N ARG A 12 -6.473 -1.140 -1.742 1.00 0.00 N ATOM 223 CA ARG A 12 -7.344 -2.082 -1.047 1.00 0.00 C ATOM 224 C ARG A 12 -8.421 -1.370 -0.231 1.00 0.00 C ATOM 225 O ARG A 12 -9.612 -1.506 -0.512 1.00 0.00 O ATOM 226 CB ARG A 12 -6.518 -2.991 -0.134 1.00 0.00 C ATOM 227 CG ARG A 12 -5.466 -3.803 -0.870 1.00 0.00 C ATOM 228 CD ARG A 12 -4.882 -4.885 0.021 1.00 0.00 C ATOM 229 NE ARG A 12 -3.852 -5.664 -0.662 1.00 0.00 N ATOM 230 CZ ARG A 12 -4.081 -6.416 -1.736 1.00 0.00 C ATOM 231 NH1 ARG A 12 -5.305 -6.513 -2.237 1.00 0.00 N ATOM 232 NH2 ARG A 12 -3.083 -7.079 -2.305 1.00 0.00 N ATOM 0 H ARG A 12 -5.509 -1.136 -1.410 1.00 0.00 H new ATOM 0 HA ARG A 12 -7.845 -2.683 -1.806 1.00 0.00 H new ATOM 0 HB2 ARG A 12 -6.028 -2.381 0.625 1.00 0.00 H new ATOM 0 HB3 ARG A 12 -7.189 -3.672 0.389 1.00 0.00 H new ATOM 0 HG2 ARG A 12 -5.909 -4.258 -1.756 1.00 0.00 H new ATOM 0 HG3 ARG A 12 -4.670 -3.143 -1.215 1.00 0.00 H new ATOM 0 HD2 ARG A 12 -4.457 -4.428 0.914 1.00 0.00 H new ATOM 0 HD3 ARG A 12 -5.679 -5.551 0.352 1.00 0.00 H new ATOM 0 HE ARG A 12 -2.901 -5.630 -0.294 1.00 0.00 H new ATOM 0 HH11 ARG A 12 -6.077 -6.010 -1.799 1.00 0.00 H new ATOM 0 HH12 ARG A 12 -5.475 -7.091 -3.060 1.00 0.00 H new ATOM 0 HH21 ARG A 12 -2.141 -7.012 -1.919 1.00 0.00 H new ATOM 0 HH22 ARG A 12 -3.258 -7.656 -3.128 1.00 0.00 H new ATOM 246 N ARG A 13 -8.001 -0.622 0.784 1.00 0.00 N ATOM 247 CA ARG A 13 -8.940 0.097 1.642 1.00 0.00 C ATOM 248 C ARG A 13 -9.578 1.267 0.901 1.00 0.00 C ATOM 249 O ARG A 13 -10.825 1.310 0.835 1.00 0.00 O ATOM 250 CB ARG A 13 -8.232 0.596 2.903 1.00 0.00 C ATOM 251 CG ARG A 13 -9.161 1.266 3.902 1.00 0.00 C ATOM 252 CD ARG A 13 -8.420 1.665 5.168 1.00 0.00 C ATOM 253 NE ARG A 13 -9.300 2.304 6.144 1.00 0.00 N ATOM 254 CZ ARG A 13 -9.901 3.474 5.946 1.00 0.00 C ATOM 255 NH1 ARG A 13 -9.699 4.149 4.822 1.00 0.00 N ATOM 256 NH2 ARG A 13 -10.701 3.974 6.878 1.00 0.00 N ATOM 0 H ARG A 13 -7.020 -0.497 1.033 1.00 0.00 H new ATOM 0 HA ARG A 13 -9.731 -0.596 1.929 1.00 0.00 H new ATOM 0 HB2 ARG A 13 -7.738 -0.246 3.388 1.00 0.00 H new ATOM 0 HB3 ARG A 13 -7.452 1.301 2.616 1.00 0.00 H new ATOM 0 HG2 ARG A 13 -9.610 2.149 3.448 1.00 0.00 H new ATOM 0 HG3 ARG A 13 -9.976 0.588 4.154 1.00 0.00 H new ATOM 0 HD2 ARG A 13 -7.966 0.781 5.615 1.00 0.00 H new ATOM 0 HD3 ARG A 13 -7.608 2.346 4.913 1.00 0.00 H new ATOM 0 HE ARG A 13 -9.463 1.825 7.029 1.00 0.00 H new ATOM 0 HH11 ARG A 13 -9.080 3.771 4.104 1.00 0.00 H new ATOM 0 HH12 ARG A 13 -10.162 5.046 4.675 1.00 0.00 H new ATOM 0 HH21 ARG A 13 -10.855 3.461 7.746 1.00 0.00 H new ATOM 0 HH22 ARG A 13 -11.162 4.871 6.727 1.00 0.00 H new HETATM 270 N NH2 A 14 -9.287 1.466 -0.378 1.00 0.00 N TER 273 NH2 A 14