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= -0.0972 (180deg=-0.387) USER MOD ----------------------------------------------------------------- ATOM 1 N VAL A 1 6.678 -5.575 -4.395 1.00 0.00 N ATOM 2 CA VAL A 1 6.226 -4.500 -3.476 1.00 0.00 C ATOM 3 C VAL A 1 7.339 -4.076 -2.528 1.00 0.00 C ATOM 4 O VAL A 1 7.895 -4.899 -1.800 1.00 0.00 O ATOM 5 CB VAL A 1 5.010 -4.953 -2.636 1.00 0.00 C ATOM 6 CG1 VAL A 1 5.278 -6.307 -1.995 1.00 0.00 C ATOM 7 CG2 VAL A 1 4.668 -3.917 -1.567 1.00 0.00 C ATOM 0 H1 VAL A 1 5.852 -6.005 -4.859 1.00 0.00 H new ATOM 0 H2 VAL A 1 7.310 -5.172 -5.116 1.00 0.00 H new ATOM 0 H3 VAL A 1 7.189 -6.302 -3.854 1.00 0.00 H new ATOM 0 HA VAL A 1 5.941 -3.655 -4.102 1.00 0.00 H new ATOM 0 HB VAL A 1 4.155 -5.047 -3.305 1.00 0.00 H new ATOM 0 HG11 VAL A 1 4.411 -6.610 -1.408 1.00 0.00 H new ATOM 0 HG12 VAL A 1 5.465 -7.047 -2.773 1.00 0.00 H new ATOM 0 HG13 VAL A 1 6.150 -6.235 -1.345 1.00 0.00 H new ATOM 0 HG21 VAL A 1 3.809 -4.260 -0.990 1.00 0.00 H new ATOM 0 HG22 VAL A 1 5.522 -3.784 -0.903 1.00 0.00 H new ATOM 0 HG23 VAL A 1 4.429 -2.967 -2.045 1.00 0.00 H new ATOM 19 N ARG A 2 7.640 -2.782 -2.517 1.00 0.00 N ATOM 20 CA ARG A 2 8.661 -2.259 -1.626 1.00 0.00 C ATOM 21 C ARG A 2 8.221 -2.495 -0.189 1.00 0.00 C ATOM 22 O ARG A 2 8.610 -3.483 0.436 1.00 0.00 O ATOM 23 CB ARG A 2 8.880 -0.764 -1.882 1.00 0.00 C ATOM 24 CG ARG A 2 9.423 -0.450 -3.265 1.00 0.00 C ATOM 25 CD ARG A 2 9.529 1.050 -3.485 1.00 0.00 C ATOM 26 NE ARG A 2 10.379 1.689 -2.484 1.00 0.00 N ATOM 27 CZ ARG A 2 10.588 3.001 -2.421 1.00 0.00 C ATOM 28 NH1 ARG A 2 10.009 3.813 -3.296 1.00 0.00 N ATOM 29 NH2 ARG A 2 11.377 3.503 -1.481 1.00 0.00 N ATOM 0 H ARG A 2 7.194 -2.083 -3.111 1.00 0.00 H new ATOM 0 HA ARG A 2 9.606 -2.771 -1.809 1.00 0.00 H new ATOM 0 HB2 ARG A 2 7.934 -0.240 -1.746 1.00 0.00 H new ATOM 0 HB3 ARG A 2 9.571 -0.375 -1.134 1.00 0.00 H new ATOM 0 HG2 ARG A 2 10.404 -0.908 -3.386 1.00 0.00 H new ATOM 0 HG3 ARG A 2 8.772 -0.886 -4.022 1.00 0.00 H new ATOM 0 HD2 ARG A 2 9.931 1.243 -4.479 1.00 0.00 H new ATOM 0 HD3 ARG A 2 8.534 1.493 -3.452 1.00 0.00 H new ATOM 0 HE ARG A 2 10.839 1.095 -1.794 1.00 0.00 H new ATOM 0 HH11 ARG A 2 9.401 3.432 -4.021 1.00 0.00 H new ATOM 0 HH12 ARG A 2 10.172 4.819 -3.244 1.00 0.00 H new ATOM 0 HH21 ARG A 2 11.824 2.883 -0.806 1.00 0.00 H new ATOM 0 HH22 ARG A 2 11.537 4.509 -1.433 1.00 0.00 H new ATOM 43 N ARG A 3 7.376 -1.601 0.314 1.00 0.00 N ATOM 44 CA ARG A 3 6.841 -1.719 1.661 1.00 0.00 C ATOM 45 C ARG A 3 5.827 -0.620 1.952 1.00 0.00 C ATOM 46 O ARG A 3 5.593 -0.271 3.111 1.00 0.00 O ATOM 47 CB ARG A 3 7.973 -1.702 2.691 1.00 0.00 C ATOM 48 CG ARG A 3 8.954 -0.551 2.519 1.00 0.00 C ATOM 49 CD ARG A 3 8.303 0.795 2.792 1.00 0.00 C ATOM 50 NE ARG A 3 9.287 1.857 2.992 1.00 0.00 N ATOM 51 CZ ARG A 3 10.162 1.877 3.996 1.00 0.00 C ATOM 52 NH1 ARG A 3 10.158 0.913 4.906 1.00 0.00 N ATOM 53 NH2 ARG A 3 11.040 2.867 4.092 1.00 0.00 N ATOM 0 H ARG A 3 7.047 -0.782 -0.197 1.00 0.00 H new ATOM 0 HA ARG A 3 6.322 -2.675 1.734 1.00 0.00 H new ATOM 0 HB2 ARG A 3 7.540 -1.650 3.690 1.00 0.00 H new ATOM 0 HB3 ARG A 3 8.520 -2.643 2.630 1.00 0.00 H new ATOM 0 HG2 ARG A 3 9.798 -0.690 3.195 1.00 0.00 H new ATOM 0 HG3 ARG A 3 9.352 -0.562 1.505 1.00 0.00 H new ATOM 0 HD2 ARG A 3 7.653 1.058 1.957 1.00 0.00 H new ATOM 0 HD3 ARG A 3 7.671 0.717 3.676 1.00 0.00 H new ATOM 0 HE ARG A 3 9.305 2.628 2.324 1.00 0.00 H new ATOM 0 HH11 ARG A 3 9.483 0.151 4.839 1.00 0.00 H new ATOM 0 HH12 ARG A 3 10.830 0.933 5.673 1.00 0.00 H new ATOM 0 HH21 ARG A 3 11.045 3.613 3.397 1.00 0.00 H new ATOM 0 HH22 ARG A 3 11.710 2.882 4.861 1.00 0.00 H new ATOM 67 N PHE A 4 5.204 -0.095 0.902 1.00 0.00 N ATOM 68 CA PHE A 4 4.198 0.940 1.065 1.00 0.00 C ATOM 69 C PHE A 4 3.184 0.881 -0.074 1.00 0.00 C ATOM 70 O PHE A 4 1.986 0.974 0.153 1.00 0.00 O ATOM 71 CB PHE A 4 4.838 2.335 1.156 1.00 0.00 C ATOM 72 CG PHE A 4 5.020 3.035 -0.165 1.00 0.00 C ATOM 73 CD1 PHE A 4 3.921 3.443 -0.909 1.00 0.00 C ATOM 74 CD2 PHE A 4 6.286 3.290 -0.654 1.00 0.00 C ATOM 75 CE1 PHE A 4 4.087 4.090 -2.117 1.00 0.00 C ATOM 76 CE2 PHE A 4 6.460 3.935 -1.863 1.00 0.00 C ATOM 77 CZ PHE A 4 5.359 4.336 -2.596 1.00 0.00 C ATOM 0 H PHE A 4 5.379 -0.370 -0.065 1.00 0.00 H new ATOM 0 HA PHE A 4 3.676 0.757 2.004 1.00 0.00 H new ATOM 0 HB2 PHE A 4 4.221 2.961 1.801 1.00 0.00 H new ATOM 0 HB3 PHE A 4 5.811 2.242 1.639 1.00 0.00 H new ATOM 0 HD1 PHE A 4 2.925 3.252 -0.538 1.00 0.00 H new ATOM 0 HD2 PHE A 4 7.150 2.982 -0.084 1.00 0.00 H new ATOM 0 HE1 PHE A 4 3.224 4.403 -2.686 1.00 0.00 H new ATOM 0 HE2 PHE A 4 7.456 4.126 -2.235 1.00 0.00 H new ATOM 0 HZ PHE A 4 5.493 4.841 -3.541 1.00 0.00 H new ATOM 87 N ALA A 5 3.672 0.732 -1.300 1.00 0.00 N ATOM 88 CA ALA A 5 2.798 0.673 -2.464 1.00 0.00 C ATOM 89 C ALA A 5 2.179 -0.706 -2.598 1.00 0.00 C ATOM 90 O ALA A 5 2.428 -1.434 -3.559 1.00 0.00 O ATOM 91 CB ALA A 5 3.564 1.044 -3.711 1.00 0.00 C ATOM 0 H ALA A 5 4.666 0.650 -1.513 1.00 0.00 H new ATOM 0 HA ALA A 5 1.990 1.392 -2.331 1.00 0.00 H new ATOM 0 HB1 ALA A 5 2.900 0.996 -4.574 1.00 0.00 H new ATOM 0 HB2 ALA A 5 3.955 2.056 -3.610 1.00 0.00 H new ATOM 0 HB3 ALA A 5 4.391 0.348 -3.851 1.00 0.00 H new ATOM 97 N TRP A 6 1.396 -1.057 -1.599 1.00 0.00 N ATOM 98 CA TRP A 6 0.742 -2.345 -1.531 1.00 0.00 C ATOM 99 C TRP A 6 -0.435 -2.246 -0.606 1.00 0.00 C ATOM 100 O TRP A 6 -1.514 -2.734 -0.904 1.00 0.00 O ATOM 101 CB TRP A 6 1.715 -3.353 -0.968 1.00 0.00 C ATOM 102 CG TRP A 6 2.156 -2.985 0.405 1.00 0.00 C ATOM 103 CD1 TRP A 6 2.968 -1.952 0.728 1.00 0.00 C ATOM 104 CD2 TRP A 6 1.809 -3.621 1.627 1.00 0.00 C ATOM 105 NE1 TRP A 6 3.112 -1.862 2.083 1.00 0.00 N ATOM 106 CE2 TRP A 6 2.423 -2.891 2.662 1.00 0.00 C ATOM 107 CE3 TRP A 6 1.033 -4.727 1.947 1.00 0.00 C ATOM 108 CZ2 TRP A 6 2.278 -3.234 3.996 1.00 0.00 C ATOM 109 CZ3 TRP A 6 0.894 -5.073 3.269 1.00 0.00 C ATOM 110 CH2 TRP A 6 1.512 -4.329 4.284 1.00 0.00 C ATOM 0 H TRP A 6 1.195 -0.450 -0.805 1.00 0.00 H new ATOM 0 HA TRP A 6 0.413 -2.650 -2.524 1.00 0.00 H new ATOM 0 HB2 TRP A 6 1.248 -4.338 -0.949 1.00 0.00 H new ATOM 0 HB3 TRP A 6 2.584 -3.425 -1.622 1.00 0.00 H new ATOM 0 HD1 TRP A 6 3.437 -1.291 0.014 1.00 0.00 H new ATOM 0 HE1 TRP A 6 3.644 -1.147 2.579 1.00 0.00 H new ATOM 0 HE3 TRP A 6 0.549 -5.303 1.173 1.00 0.00 H new ATOM 0 HZ2 TRP A 6 2.752 -2.659 4.778 1.00 0.00 H new ATOM 0 HZ3 TRP A 6 0.298 -5.934 3.531 1.00 0.00 H new ATOM 0 HH2 TRP A 6 1.380 -4.627 5.314 1.00 0.00 H new ATOM 121 N TRP A 7 -0.199 -1.600 0.527 1.00 0.00 N ATOM 122 CA TRP A 7 -1.209 -1.411 1.517 1.00 0.00 C ATOM 123 C TRP A 7 -2.269 -0.496 0.993 1.00 0.00 C ATOM 124 O TRP A 7 -3.353 -0.415 1.545 1.00 0.00 O ATOM 125 CB TRP A 7 -0.598 -0.871 2.801 1.00 0.00 C ATOM 126 CG TRP A 7 0.155 0.411 2.641 1.00 0.00 C ATOM 127 CD1 TRP A 7 1.472 0.583 2.857 1.00 0.00 C ATOM 128 CD2 TRP A 7 -0.351 1.688 2.257 1.00 0.00 C ATOM 129 NE1 TRP A 7 1.832 1.884 2.642 1.00 0.00 N ATOM 130 CE2 TRP A 7 0.730 2.582 2.268 1.00 0.00 C ATOM 131 CE3 TRP A 7 -1.606 2.162 1.904 1.00 0.00 C ATOM 132 CZ2 TRP A 7 0.595 3.915 1.941 1.00 0.00 C ATOM 133 CZ3 TRP A 7 -1.745 3.478 1.575 1.00 0.00 C ATOM 134 CH2 TRP A 7 -0.653 4.352 1.593 1.00 0.00 C ATOM 0 H TRP A 7 0.706 -1.197 0.771 1.00 0.00 H new ATOM 0 HA TRP A 7 -1.670 -2.371 1.747 1.00 0.00 H new ATOM 0 HB2 TRP A 7 -1.393 -0.721 3.531 1.00 0.00 H new ATOM 0 HB3 TRP A 7 0.075 -1.623 3.212 1.00 0.00 H new ATOM 0 HD1 TRP A 7 2.152 -0.200 3.159 1.00 0.00 H new ATOM 0 HE1 TRP A 7 2.772 2.266 2.745 1.00 0.00 H new ATOM 0 HE3 TRP A 7 -2.459 1.500 1.890 1.00 0.00 H new ATOM 0 HZ2 TRP A 7 1.441 4.586 1.959 1.00 0.00 H new ATOM 0 HZ3 TRP A 7 -2.718 3.853 1.295 1.00 0.00 H new ATOM 0 HH2 TRP A 7 -0.798 5.389 1.328 1.00 0.00 H new ATOM 145 N TRP A 8 -1.960 0.212 -0.079 1.00 0.00 N ATOM 146 CA TRP A 8 -2.935 1.123 -0.619 1.00 0.00 C ATOM 147 C TRP A 8 -4.179 0.357 -0.902 1.00 0.00 C ATOM 148 O TRP A 8 -5.249 0.642 -0.371 1.00 0.00 O ATOM 149 CB TRP A 8 -2.498 1.792 -1.902 1.00 0.00 C ATOM 150 CG TRP A 8 -1.258 2.518 -1.762 1.00 0.00 C ATOM 151 CD1 TRP A 8 -0.152 2.074 -1.176 1.00 0.00 C ATOM 152 CD2 TRP A 8 -1.016 3.813 -2.217 1.00 0.00 C ATOM 153 NE1 TRP A 8 0.810 3.052 -1.206 1.00 0.00 N ATOM 154 CE2 TRP A 8 0.291 4.147 -1.859 1.00 0.00 C ATOM 155 CE3 TRP A 8 -1.803 4.712 -2.891 1.00 0.00 C ATOM 156 CZ2 TRP A 8 0.839 5.389 -2.163 1.00 0.00 C ATOM 157 CZ3 TRP A 8 -1.279 5.940 -3.198 1.00 0.00 C ATOM 158 CH2 TRP A 8 0.036 6.279 -2.834 1.00 0.00 C ATOM 0 H TRP A 8 -1.069 0.173 -0.575 1.00 0.00 H new ATOM 0 HA TRP A 8 -3.081 1.909 0.122 1.00 0.00 H new ATOM 0 HB2 TRP A 8 -2.385 1.037 -2.680 1.00 0.00 H new ATOM 0 HB3 TRP A 8 -3.279 2.477 -2.233 1.00 0.00 H new ATOM 0 HD1 TRP A 8 -0.029 1.093 -0.742 1.00 0.00 H new ATOM 0 HE1 TRP A 8 1.748 2.980 -0.812 1.00 0.00 H new ATOM 0 HE3 TRP A 8 -2.814 4.457 -3.173 1.00 0.00 H new ATOM 0 HZ2 TRP A 8 1.851 5.642 -1.884 1.00 0.00 H new ATOM 0 HZ3 TRP A 8 -1.886 6.659 -3.728 1.00 0.00 H new ATOM 0 HH2 TRP A 8 0.421 7.256 -3.086 1.00 0.00 H new ATOM 169 N PRO A 9 -4.043 -0.640 -1.780 1.00 0.00 N ATOM 170 CA PRO A 9 -5.143 -1.458 -2.169 1.00 0.00 C ATOM 171 C PRO A 9 -5.996 -1.909 -0.981 1.00 0.00 C ATOM 172 O PRO A 9 -7.223 -1.875 -1.052 1.00 0.00 O ATOM 173 CB PRO A 9 -4.460 -2.636 -2.857 1.00 0.00 C ATOM 174 CG PRO A 9 -3.272 -2.024 -3.494 1.00 0.00 C ATOM 175 CD PRO A 9 -2.801 -1.021 -2.503 1.00 0.00 C ATOM 0 HA PRO A 9 -5.851 -0.931 -2.809 1.00 0.00 H new ATOM 0 HB2 PRO A 9 -4.178 -3.410 -2.143 1.00 0.00 H new ATOM 0 HB3 PRO A 9 -5.113 -3.105 -3.593 1.00 0.00 H new ATOM 0 HG2 PRO A 9 -2.504 -2.769 -3.702 1.00 0.00 H new ATOM 0 HG3 PRO A 9 -3.527 -1.555 -4.444 1.00 0.00 H new ATOM 0 HD2 PRO A 9 -2.056 -1.443 -1.828 1.00 0.00 H new ATOM 0 HD3 PRO A 9 -2.340 -0.162 -2.990 1.00 0.00 H new ATOM 183 N PHE A 10 -5.355 -2.314 0.120 1.00 0.00 N ATOM 184 CA PHE A 10 -6.114 -2.735 1.302 1.00 0.00 C ATOM 185 C PHE A 10 -6.590 -1.515 2.077 1.00 0.00 C ATOM 186 O PHE A 10 -7.787 -1.284 2.245 1.00 0.00 O ATOM 187 CB PHE A 10 -5.294 -3.580 2.287 1.00 0.00 C ATOM 188 CG PHE A 10 -4.245 -4.475 1.702 1.00 0.00 C ATOM 189 CD1 PHE A 10 -3.119 -3.947 1.106 1.00 0.00 C ATOM 190 CD2 PHE A 10 -4.354 -5.850 1.808 1.00 0.00 C ATOM 191 CE1 PHE A 10 -2.137 -4.753 0.620 1.00 0.00 C ATOM 192 CE2 PHE A 10 -3.357 -6.672 1.326 1.00 0.00 C ATOM 193 CZ PHE A 10 -2.245 -6.119 0.727 1.00 0.00 C ATOM 0 H PHE A 10 -4.341 -2.359 0.218 1.00 0.00 H new ATOM 0 HA PHE A 10 -6.938 -3.336 0.917 1.00 0.00 H new ATOM 0 HB2 PHE A 10 -4.809 -2.904 2.992 1.00 0.00 H new ATOM 0 HB3 PHE A 10 -5.985 -4.197 2.861 1.00 0.00 H new ATOM 0 HD1 PHE A 10 -3.015 -2.875 1.024 1.00 0.00 H new ATOM 0 HD2 PHE A 10 -5.227 -6.284 2.272 1.00 0.00 H new ATOM 0 HE1 PHE A 10 -1.269 -4.318 0.148 1.00 0.00 H new ATOM 0 HE2 PHE A 10 -3.447 -7.744 1.417 1.00 0.00 H new ATOM 0 HZ PHE A 10 -1.462 -6.757 0.344 1.00 0.00 H new ATOM 203 N LEU A 11 -5.616 -0.765 2.581 1.00 0.00 N ATOM 204 CA LEU A 11 -5.870 0.417 3.386 1.00 0.00 C ATOM 205 C LEU A 11 -6.752 1.435 2.665 1.00 0.00 C ATOM 206 O LEU A 11 -7.872 1.715 3.095 1.00 0.00 O ATOM 207 CB LEU A 11 -4.551 1.090 3.784 1.00 0.00 C ATOM 208 CG LEU A 11 -3.436 0.157 4.279 1.00 0.00 C ATOM 209 CD1 LEU A 11 -2.296 0.973 4.855 1.00 0.00 C ATOM 210 CD2 LEU A 11 -3.954 -0.851 5.297 1.00 0.00 C ATOM 0 H LEU A 11 -4.625 -0.963 2.440 1.00 0.00 H new ATOM 0 HA LEU A 11 -6.401 0.079 4.276 1.00 0.00 H new ATOM 0 HB2 LEU A 11 -4.177 1.645 2.924 1.00 0.00 H new ATOM 0 HB3 LEU A 11 -4.761 1.819 4.567 1.00 0.00 H new ATOM 0 HG LEU A 11 -3.067 -0.412 3.426 1.00 0.00 H new ATOM 0 HD11 LEU A 11 -1.509 0.304 5.204 1.00 0.00 H new ATOM 0 HD12 LEU A 11 -1.896 1.633 4.085 1.00 0.00 H new ATOM 0 HD13 LEU A 11 -2.662 1.570 5.691 1.00 0.00 H new ATOM 0 HD21 LEU A 11 -3.135 -1.493 5.623 1.00 0.00 H new ATOM 0 HD22 LEU A 11 -4.364 -0.322 6.157 1.00 0.00 H new ATOM 0 HD23 LEU A 11 -4.734 -1.461 4.841 1.00 0.00 H new ATOM 222 N ARG A 12 -6.229 2.004 1.583 1.00 0.00 N ATOM 223 CA ARG A 12 -6.954 3.016 0.817 1.00 0.00 C ATOM 224 C ARG A 12 -8.203 2.449 0.144 1.00 0.00 C ATOM 225 O ARG A 12 -9.324 2.820 0.495 1.00 0.00 O ATOM 226 CB ARG A 12 -6.032 3.641 -0.232 1.00 0.00 C ATOM 227 CG ARG A 12 -4.835 4.361 0.365 1.00 0.00 C ATOM 228 CD ARG A 12 -4.132 5.215 -0.673 1.00 0.00 C ATOM 229 NE ARG A 12 -3.002 5.953 -0.111 1.00 0.00 N ATOM 230 CZ ARG A 12 -3.126 6.912 0.803 1.00 0.00 C ATOM 231 NH1 ARG A 12 -4.326 7.255 1.255 1.00 0.00 N ATOM 232 NH2 ARG A 12 -2.050 7.534 1.264 1.00 0.00 N ATOM 0 H ARG A 12 -5.304 1.782 1.215 1.00 0.00 H new ATOM 0 HA ARG A 12 -7.282 3.781 1.520 1.00 0.00 H new ATOM 0 HB2 ARG A 12 -5.678 2.860 -0.904 1.00 0.00 H new ATOM 0 HB3 ARG A 12 -6.606 4.345 -0.835 1.00 0.00 H new ATOM 0 HG2 ARG A 12 -5.162 4.988 1.194 1.00 0.00 H new ATOM 0 HG3 ARG A 12 -4.136 3.632 0.773 1.00 0.00 H new ATOM 0 HD2 ARG A 12 -3.780 4.579 -1.485 1.00 0.00 H new ATOM 0 HD3 ARG A 12 -4.844 5.918 -1.104 1.00 0.00 H new ATOM 0 HE ARG A 12 -2.065 5.719 -0.438 1.00 0.00 H new ATOM 0 HH11 ARG A 12 -5.158 6.783 0.902 1.00 0.00 H new ATOM 0 HH12 ARG A 12 -4.416 7.991 1.956 1.00 0.00 H new ATOM 0 HH21 ARG A 12 -1.125 7.278 0.918 1.00 0.00 H new ATOM 0 HH22 ARG A 12 -2.147 8.269 1.965 1.00 0.00 H new ATOM 246 N ARG A 13 -8.013 1.562 -0.827 1.00 0.00 N ATOM 247 CA ARG A 13 -9.140 0.968 -1.542 1.00 0.00 C ATOM 248 C ARG A 13 -9.981 0.113 -0.599 1.00 0.00 C ATOM 249 O ARG A 13 -10.967 0.645 -0.047 1.00 0.00 O ATOM 250 CB ARG A 13 -8.641 0.134 -2.731 1.00 0.00 C ATOM 251 CG ARG A 13 -9.735 -0.295 -3.703 1.00 0.00 C ATOM 252 CD ARG A 13 -10.632 -1.379 -3.121 1.00 0.00 C ATOM 253 NE ARG A 13 -9.886 -2.593 -2.794 1.00 0.00 N ATOM 254 CZ ARG A 13 -9.267 -3.349 -3.699 1.00 0.00 C ATOM 255 NH1 ARG A 13 -9.317 -3.027 -4.985 1.00 0.00 N ATOM 256 NH2 ARG A 13 -8.600 -4.431 -3.318 1.00 0.00 N ATOM 0 H ARG A 13 -7.096 1.239 -1.136 1.00 0.00 H new ATOM 0 HA ARG A 13 -9.768 1.771 -1.926 1.00 0.00 H new ATOM 0 HB2 ARG A 13 -7.894 0.711 -3.276 1.00 0.00 H new ATOM 0 HB3 ARG A 13 -8.141 -0.756 -2.350 1.00 0.00 H new ATOM 0 HG2 ARG A 13 -10.341 0.571 -3.970 1.00 0.00 H new ATOM 0 HG3 ARG A 13 -9.278 -0.660 -4.623 1.00 0.00 H new ATOM 0 HD2 ARG A 13 -11.120 -1.001 -2.223 1.00 0.00 H new ATOM 0 HD3 ARG A 13 -11.420 -1.619 -3.835 1.00 0.00 H new ATOM 0 HE ARG A 13 -9.837 -2.878 -1.816 1.00 0.00 H new ATOM 0 HH11 ARG A 13 -9.831 -2.198 -5.284 1.00 0.00 H new ATOM 0 HH12 ARG A 13 -8.842 -3.608 -5.675 1.00 0.00 H new ATOM 0 HH21 ARG A 13 -8.561 -4.685 -2.331 1.00 0.00 H new ATOM 0 HH22 ARG A 13 -8.126 -5.009 -4.012 1.00 0.00 H new HETATM 270 N NH2 A 14 -9.376 -0.688 0.269 1.00 0.00 N TER 273 NH2 A 14