USER MOD reduce.3.24.130724 H: found=0, std=0, add=136, rem=0, adj=1 USER MOD reduce.3.24.130724 removed 138 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+ -164:sc= -0.0802 (180deg=-0.442) USER MOD ----------------------------------------------------------------- ATOM 1 N VAL A 1 -8.525 -3.146 -0.376 1.00 0.00 N ATOM 2 CA VAL A 1 -8.762 -3.001 1.083 1.00 0.00 C ATOM 3 C VAL A 1 -9.514 -1.710 1.394 1.00 0.00 C ATOM 4 O VAL A 1 -10.476 -1.714 2.162 1.00 0.00 O ATOM 5 CB VAL A 1 -7.435 -3.011 1.868 1.00 0.00 C ATOM 6 CG1 VAL A 1 -7.690 -2.858 3.360 1.00 0.00 C ATOM 7 CG2 VAL A 1 -6.658 -4.288 1.583 1.00 0.00 C ATOM 0 H1 VAL A 1 -8.265 -4.130 -0.589 1.00 0.00 H new ATOM 0 H2 VAL A 1 -9.391 -2.896 -0.895 1.00 0.00 H new ATOM 0 H3 VAL A 1 -7.753 -2.513 -0.667 1.00 0.00 H new ATOM 0 HA VAL A 1 -9.368 -3.853 1.392 1.00 0.00 H new ATOM 0 HB VAL A 1 -6.835 -2.163 1.539 1.00 0.00 H new ATOM 0 HG11 VAL A 1 -6.740 -2.868 3.894 1.00 0.00 H new ATOM 0 HG12 VAL A 1 -8.202 -1.914 3.547 1.00 0.00 H new ATOM 0 HG13 VAL A 1 -8.311 -3.683 3.709 1.00 0.00 H new ATOM 0 HG21 VAL A 1 -5.724 -4.279 2.145 1.00 0.00 H new ATOM 0 HG22 VAL A 1 -7.253 -5.151 1.883 1.00 0.00 H new ATOM 0 HG23 VAL A 1 -6.439 -4.351 0.517 1.00 0.00 H new ATOM 19 N ARG A 2 -9.070 -0.609 0.792 1.00 0.00 N ATOM 20 CA ARG A 2 -9.702 0.691 1.005 1.00 0.00 C ATOM 21 C ARG A 2 -9.540 1.586 -0.219 1.00 0.00 C ATOM 22 O ARG A 2 -10.488 2.249 -0.642 1.00 0.00 O ATOM 23 CB ARG A 2 -9.104 1.390 2.231 1.00 0.00 C ATOM 24 CG ARG A 2 -9.358 0.665 3.542 1.00 0.00 C ATOM 25 CD ARG A 2 -8.771 1.424 4.721 1.00 0.00 C ATOM 26 NE ARG A 2 -9.018 0.744 5.991 1.00 0.00 N ATOM 27 CZ ARG A 2 -10.231 0.541 6.501 1.00 0.00 C ATOM 28 NH1 ARG A 2 -11.308 0.987 5.868 1.00 0.00 N ATOM 29 NH2 ARG A 2 -10.366 -0.104 7.651 1.00 0.00 N ATOM 0 H ARG A 2 -8.275 -0.591 0.153 1.00 0.00 H new ATOM 0 HA ARG A 2 -10.764 0.516 1.175 1.00 0.00 H new ATOM 0 HB2 ARG A 2 -8.028 1.494 2.088 1.00 0.00 H new ATOM 0 HB3 ARG A 2 -9.516 2.397 2.299 1.00 0.00 H new ATOM 0 HG2 ARG A 2 -10.431 0.539 3.687 1.00 0.00 H new ATOM 0 HG3 ARG A 2 -8.923 -0.333 3.497 1.00 0.00 H new ATOM 0 HD2 ARG A 2 -7.697 1.543 4.577 1.00 0.00 H new ATOM 0 HD3 ARG A 2 -9.200 2.425 4.757 1.00 0.00 H new ATOM 0 HE ARG A 2 -8.213 0.405 6.518 1.00 0.00 H new ATOM 0 HH11 ARG A 2 -11.210 1.489 4.985 1.00 0.00 H new ATOM 0 HH12 ARG A 2 -12.235 0.828 6.264 1.00 0.00 H new ATOM 0 HH21 ARG A 2 -9.541 -0.444 8.145 1.00 0.00 H new ATOM 0 HH22 ARG A 2 -11.295 -0.260 8.042 1.00 0.00 H new ATOM 43 N ARG A 3 -8.334 1.603 -0.782 1.00 0.00 N ATOM 44 CA ARG A 3 -8.042 2.416 -1.953 1.00 0.00 C ATOM 45 C ARG A 3 -6.639 2.130 -2.397 1.00 0.00 C ATOM 46 O ARG A 3 -5.982 2.948 -3.041 1.00 0.00 O ATOM 47 CB ARG A 3 -8.200 3.898 -1.632 1.00 0.00 C ATOM 48 CG ARG A 3 -7.209 4.377 -0.593 1.00 0.00 C ATOM 49 CD ARG A 3 -7.399 5.847 -0.274 1.00 0.00 C ATOM 50 NE ARG A 3 -7.204 6.693 -1.448 1.00 0.00 N ATOM 51 CZ ARG A 3 -7.271 8.021 -1.420 1.00 0.00 C ATOM 52 NH1 ARG A 3 -7.518 8.652 -0.280 1.00 0.00 N ATOM 53 NH2 ARG A 3 -7.089 8.718 -2.532 1.00 0.00 N ATOM 0 H ARG A 3 -7.541 1.059 -0.442 1.00 0.00 H new ATOM 0 HA ARG A 3 -8.743 2.169 -2.751 1.00 0.00 H new ATOM 0 HB2 ARG A 3 -8.073 4.479 -2.545 1.00 0.00 H new ATOM 0 HB3 ARG A 3 -9.213 4.083 -1.275 1.00 0.00 H new ATOM 0 HG2 ARG A 3 -7.323 3.789 0.318 1.00 0.00 H new ATOM 0 HG3 ARG A 3 -6.194 4.211 -0.954 1.00 0.00 H new ATOM 0 HD2 ARG A 3 -8.402 6.005 0.124 1.00 0.00 H new ATOM 0 HD3 ARG A 3 -6.697 6.142 0.506 1.00 0.00 H new ATOM 0 HE ARG A 3 -7.005 6.240 -2.340 1.00 0.00 H new ATOM 0 HH11 ARG A 3 -7.657 8.119 0.578 1.00 0.00 H new ATOM 0 HH12 ARG A 3 -7.569 9.671 -0.262 1.00 0.00 H new ATOM 0 HH21 ARG A 3 -6.897 8.236 -3.410 1.00 0.00 H new ATOM 0 HH22 ARG A 3 -7.141 9.736 -2.510 1.00 0.00 H new ATOM 67 N PHE A 4 -6.193 0.948 -2.035 1.00 0.00 N ATOM 68 CA PHE A 4 -4.872 0.514 -2.373 1.00 0.00 C ATOM 69 C PHE A 4 -4.703 -0.974 -2.152 1.00 0.00 C ATOM 70 O PHE A 4 -5.489 -1.620 -1.458 1.00 0.00 O ATOM 71 CB PHE A 4 -3.828 1.241 -1.538 1.00 0.00 C ATOM 72 CG PHE A 4 -3.962 1.038 -0.057 1.00 0.00 C ATOM 73 CD1 PHE A 4 -4.995 1.628 0.651 1.00 0.00 C ATOM 74 CD2 PHE A 4 -3.053 0.239 0.626 1.00 0.00 C ATOM 75 CE1 PHE A 4 -5.121 1.431 2.013 1.00 0.00 C ATOM 76 CE2 PHE A 4 -3.176 0.037 1.988 1.00 0.00 C ATOM 77 CZ PHE A 4 -4.211 0.635 2.682 1.00 0.00 C ATOM 0 H PHE A 4 -6.738 0.270 -1.502 1.00 0.00 H new ATOM 0 HA PHE A 4 -4.730 0.743 -3.429 1.00 0.00 H new ATOM 0 HB2 PHE A 4 -2.837 0.909 -1.849 1.00 0.00 H new ATOM 0 HB3 PHE A 4 -3.889 2.308 -1.752 1.00 0.00 H new ATOM 0 HD1 PHE A 4 -5.711 2.249 0.133 1.00 0.00 H new ATOM 0 HD2 PHE A 4 -2.242 -0.229 0.087 1.00 0.00 H new ATOM 0 HE1 PHE A 4 -5.930 1.899 2.554 1.00 0.00 H new ATOM 0 HE2 PHE A 4 -2.465 -0.587 2.509 1.00 0.00 H new ATOM 0 HZ PHE A 4 -4.308 0.480 3.746 1.00 0.00 H new ATOM 87 N PRO A 5 -3.634 -1.515 -2.728 1.00 0.00 N ATOM 88 CA PRO A 5 -3.281 -2.923 -2.598 1.00 0.00 C ATOM 89 C PRO A 5 -3.083 -3.317 -1.133 1.00 0.00 C ATOM 90 O PRO A 5 -3.935 -3.978 -0.540 1.00 0.00 O ATOM 91 CB PRO A 5 -1.948 -3.016 -3.353 1.00 0.00 C ATOM 92 CG PRO A 5 -1.894 -1.819 -4.232 1.00 0.00 C ATOM 93 CD PRO A 5 -2.661 -0.764 -3.525 1.00 0.00 C ATOM 0 HA PRO A 5 -4.055 -3.587 -2.984 1.00 0.00 H new ATOM 0 HB2 PRO A 5 -1.107 -3.030 -2.660 1.00 0.00 H new ATOM 0 HB3 PRO A 5 -1.894 -3.934 -3.939 1.00 0.00 H new ATOM 0 HG2 PRO A 5 -0.864 -1.506 -4.403 1.00 0.00 H new ATOM 0 HG3 PRO A 5 -2.329 -2.031 -5.209 1.00 0.00 H new ATOM 0 HD2 PRO A 5 -2.014 -0.153 -2.895 1.00 0.00 H new ATOM 0 HD3 PRO A 5 -3.153 -0.089 -4.226 1.00 0.00 H new ATOM 101 N TRP A 6 -1.948 -2.872 -0.576 1.00 0.00 N ATOM 102 CA TRP A 6 -1.555 -3.117 0.822 1.00 0.00 C ATOM 103 C TRP A 6 -0.035 -3.116 0.926 1.00 0.00 C ATOM 104 O TRP A 6 0.546 -2.648 1.905 1.00 0.00 O ATOM 105 CB TRP A 6 -2.104 -4.428 1.369 1.00 0.00 C ATOM 106 CG TRP A 6 -1.484 -5.625 0.752 1.00 0.00 C ATOM 107 CD1 TRP A 6 -2.003 -6.377 -0.244 1.00 0.00 C ATOM 108 CD2 TRP A 6 -0.231 -6.216 1.103 1.00 0.00 C ATOM 109 NE1 TRP A 6 -1.147 -7.392 -0.554 1.00 0.00 N ATOM 110 CE2 TRP A 6 -0.050 -7.324 0.264 1.00 0.00 C ATOM 111 CE3 TRP A 6 0.754 -5.907 2.042 1.00 0.00 C ATOM 112 CZ2 TRP A 6 1.079 -8.135 0.334 1.00 0.00 C ATOM 113 CZ3 TRP A 6 1.877 -6.710 2.114 1.00 0.00 C ATOM 114 CH2 TRP A 6 2.031 -7.815 1.265 1.00 0.00 C ATOM 0 H TRP A 6 -1.263 -2.321 -1.093 1.00 0.00 H new ATOM 0 HA TRP A 6 -1.983 -2.316 1.425 1.00 0.00 H new ATOM 0 HB2 TRP A 6 -1.945 -4.459 2.447 1.00 0.00 H new ATOM 0 HB3 TRP A 6 -3.181 -4.460 1.205 1.00 0.00 H new ATOM 0 HD1 TRP A 6 -2.955 -6.200 -0.723 1.00 0.00 H new ATOM 0 HE1 TRP A 6 -1.299 -8.092 -1.280 1.00 0.00 H new ATOM 0 HE3 TRP A 6 0.641 -5.058 2.699 1.00 0.00 H new ATOM 0 HZ2 TRP A 6 1.200 -8.985 -0.321 1.00 0.00 H new ATOM 0 HZ3 TRP A 6 2.648 -6.483 2.836 1.00 0.00 H new ATOM 0 HH2 TRP A 6 2.918 -8.426 1.347 1.00 0.00 H new ATOM 125 N TRP A 7 0.584 -3.652 -0.116 1.00 0.00 N ATOM 126 CA TRP A 7 2.034 -3.743 -0.236 1.00 0.00 C ATOM 127 C TRP A 7 2.566 -2.471 -0.848 1.00 0.00 C ATOM 128 O TRP A 7 3.770 -2.223 -0.891 1.00 0.00 O ATOM 129 CB TRP A 7 2.379 -4.878 -1.188 1.00 0.00 C ATOM 130 CG TRP A 7 1.638 -4.699 -2.469 1.00 0.00 C ATOM 131 CD1 TRP A 7 0.486 -5.305 -2.804 1.00 0.00 C ATOM 132 CD2 TRP A 7 1.947 -3.805 -3.546 1.00 0.00 C ATOM 133 NE1 TRP A 7 0.056 -4.868 -4.020 1.00 0.00 N ATOM 134 CE2 TRP A 7 0.934 -3.948 -4.503 1.00 0.00 C ATOM 135 CE3 TRP A 7 2.974 -2.904 -3.797 1.00 0.00 C ATOM 136 CZ2 TRP A 7 0.912 -3.221 -5.688 1.00 0.00 C ATOM 137 CZ3 TRP A 7 2.945 -2.178 -4.963 1.00 0.00 C ATOM 138 CH2 TRP A 7 1.926 -2.335 -5.896 1.00 0.00 C ATOM 0 H TRP A 7 0.086 -4.043 -0.916 1.00 0.00 H new ATOM 0 HA TRP A 7 2.466 -3.909 0.751 1.00 0.00 H new ATOM 0 HB2 TRP A 7 3.452 -4.894 -1.376 1.00 0.00 H new ATOM 0 HB3 TRP A 7 2.120 -5.836 -0.737 1.00 0.00 H new ATOM 0 HD1 TRP A 7 -0.026 -6.035 -2.195 1.00 0.00 H new ATOM 0 HE1 TRP A 7 -0.791 -5.181 -4.494 1.00 0.00 H new ATOM 0 HE3 TRP A 7 3.780 -2.777 -3.089 1.00 0.00 H new ATOM 0 HZ2 TRP A 7 0.123 -3.353 -6.414 1.00 0.00 H new ATOM 0 HZ3 TRP A 7 3.734 -1.467 -5.160 1.00 0.00 H new ATOM 0 HH2 TRP A 7 1.938 -1.745 -6.800 1.00 0.00 H new ATOM 149 N TRP A 8 1.641 -1.719 -1.416 1.00 0.00 N ATOM 150 CA TRP A 8 1.963 -0.516 -2.135 1.00 0.00 C ATOM 151 C TRP A 8 2.342 0.689 -1.233 1.00 0.00 C ATOM 152 O TRP A 8 3.147 1.530 -1.627 1.00 0.00 O ATOM 153 CB TRP A 8 0.803 -0.202 -3.023 1.00 0.00 C ATOM 154 CG TRP A 8 0.079 0.915 -2.488 1.00 0.00 C ATOM 155 CD1 TRP A 8 -0.829 0.878 -1.533 1.00 0.00 C ATOM 156 CD2 TRP A 8 0.291 2.240 -2.828 1.00 0.00 C ATOM 157 NE1 TRP A 8 -1.260 2.143 -1.267 1.00 0.00 N ATOM 158 CE2 TRP A 8 -0.566 3.014 -2.071 1.00 0.00 C ATOM 159 CE3 TRP A 8 1.130 2.808 -3.728 1.00 0.00 C ATOM 160 CZ2 TRP A 8 -0.598 4.393 -2.196 1.00 0.00 C ATOM 161 CZ3 TRP A 8 1.124 4.175 -3.875 1.00 0.00 C ATOM 162 CH2 TRP A 8 0.257 4.960 -3.108 1.00 0.00 C ATOM 0 H TRP A 8 0.644 -1.933 -1.387 1.00 0.00 H new ATOM 0 HA TRP A 8 2.867 -0.695 -2.717 1.00 0.00 H new ATOM 0 HB2 TRP A 8 1.153 0.027 -4.030 1.00 0.00 H new ATOM 0 HB3 TRP A 8 0.147 -1.069 -3.103 1.00 0.00 H new ATOM 0 HD1 TRP A 8 -1.177 -0.016 -1.038 1.00 0.00 H new ATOM 0 HE1 TRP A 8 -1.976 2.399 -0.587 1.00 0.00 H new ATOM 0 HE3 TRP A 8 1.793 2.196 -4.321 1.00 0.00 H new ATOM 0 HZ2 TRP A 8 -1.267 4.997 -1.601 1.00 0.00 H new ATOM 0 HZ3 TRP A 8 1.790 4.644 -4.584 1.00 0.00 H new ATOM 0 HH2 TRP A 8 0.260 6.032 -3.236 1.00 0.00 H new ATOM 173 N PRO A 9 1.802 0.782 -0.006 1.00 0.00 N ATOM 174 CA PRO A 9 2.129 1.845 0.926 1.00 0.00 C ATOM 175 C PRO A 9 3.274 1.348 1.758 1.00 0.00 C ATOM 176 O PRO A 9 3.578 1.836 2.846 1.00 0.00 O ATOM 177 CB PRO A 9 0.860 1.963 1.765 1.00 0.00 C ATOM 178 CG PRO A 9 0.233 0.599 1.726 1.00 0.00 C ATOM 179 CD PRO A 9 0.892 -0.175 0.605 1.00 0.00 C ATOM 0 HA PRO A 9 2.413 2.798 0.480 1.00 0.00 H new ATOM 0 HB2 PRO A 9 1.091 2.261 2.788 1.00 0.00 H new ATOM 0 HB3 PRO A 9 0.187 2.717 1.357 1.00 0.00 H new ATOM 0 HG2 PRO A 9 0.371 0.087 2.678 1.00 0.00 H new ATOM 0 HG3 PRO A 9 -0.841 0.676 1.558 1.00 0.00 H new ATOM 0 HD2 PRO A 9 1.426 -1.046 0.984 1.00 0.00 H new ATOM 0 HD3 PRO A 9 0.157 -0.539 -0.113 1.00 0.00 H new ATOM 187 N PHE A 10 3.842 0.300 1.206 1.00 0.00 N ATOM 188 CA PHE A 10 4.912 -0.439 1.792 1.00 0.00 C ATOM 189 C PHE A 10 6.165 -0.350 0.921 1.00 0.00 C ATOM 190 O PHE A 10 7.266 -0.125 1.424 1.00 0.00 O ATOM 191 CB PHE A 10 4.405 -1.869 1.894 1.00 0.00 C ATOM 192 CG PHE A 10 5.402 -2.847 2.423 1.00 0.00 C ATOM 193 CD1 PHE A 10 5.951 -2.697 3.682 1.00 0.00 C ATOM 194 CD2 PHE A 10 5.784 -3.924 1.647 1.00 0.00 C ATOM 195 CE1 PHE A 10 6.872 -3.611 4.158 1.00 0.00 C ATOM 196 CE2 PHE A 10 6.699 -4.838 2.112 1.00 0.00 C ATOM 197 CZ PHE A 10 7.247 -4.685 3.371 1.00 0.00 C ATOM 0 H PHE A 10 3.552 -0.067 0.300 1.00 0.00 H new ATOM 0 HA PHE A 10 5.194 -0.049 2.770 1.00 0.00 H new ATOM 0 HB2 PHE A 10 3.525 -1.883 2.537 1.00 0.00 H new ATOM 0 HB3 PHE A 10 4.083 -2.197 0.906 1.00 0.00 H new ATOM 0 HD1 PHE A 10 5.658 -1.860 4.298 1.00 0.00 H new ATOM 0 HD2 PHE A 10 5.358 -4.049 0.662 1.00 0.00 H new ATOM 0 HE1 PHE A 10 7.298 -3.487 5.143 1.00 0.00 H new ATOM 0 HE2 PHE A 10 6.989 -5.675 1.494 1.00 0.00 H new ATOM 0 HZ PHE A 10 7.966 -5.402 3.740 1.00 0.00 H new ATOM 207 N LEU A 11 5.986 -0.519 -0.393 1.00 0.00 N ATOM 208 CA LEU A 11 7.109 -0.445 -1.328 1.00 0.00 C ATOM 209 C LEU A 11 7.541 1.005 -1.525 1.00 0.00 C ATOM 210 O LEU A 11 8.724 1.289 -1.716 1.00 0.00 O ATOM 211 CB LEU A 11 6.760 -1.086 -2.683 1.00 0.00 C ATOM 212 CG LEU A 11 6.101 -0.172 -3.716 1.00 0.00 C ATOM 213 CD1 LEU A 11 6.135 -0.813 -5.095 1.00 0.00 C ATOM 214 CD2 LEU A 11 4.678 0.105 -3.302 1.00 0.00 C ATOM 0 H LEU A 11 5.083 -0.706 -0.828 1.00 0.00 H new ATOM 0 HA LEU A 11 7.937 -1.008 -0.897 1.00 0.00 H new ATOM 0 HB2 LEU A 11 7.675 -1.488 -3.117 1.00 0.00 H new ATOM 0 HB3 LEU A 11 6.096 -1.931 -2.501 1.00 0.00 H new ATOM 0 HG LEU A 11 6.652 0.767 -3.765 1.00 0.00 H new ATOM 0 HD11 LEU A 11 5.661 -0.148 -5.817 1.00 0.00 H new ATOM 0 HD12 LEU A 11 7.170 -0.990 -5.389 1.00 0.00 H new ATOM 0 HD13 LEU A 11 5.598 -1.761 -5.069 1.00 0.00 H new ATOM 0 HD21 LEU A 11 4.206 0.757 -4.037 1.00 0.00 H new ATOM 0 HD22 LEU A 11 4.127 -0.834 -3.242 1.00 0.00 H new ATOM 0 HD23 LEU A 11 4.671 0.593 -2.327 1.00 0.00 H new ATOM 226 N ARG A 12 6.572 1.919 -1.478 1.00 0.00 N ATOM 227 CA ARG A 12 6.852 3.341 -1.650 1.00 0.00 C ATOM 228 C ARG A 12 7.885 3.826 -0.637 1.00 0.00 C ATOM 229 O ARG A 12 8.904 4.408 -1.008 1.00 0.00 O ATOM 230 CB ARG A 12 5.566 4.165 -1.514 1.00 0.00 C ATOM 231 CG ARG A 12 4.732 3.805 -0.293 1.00 0.00 C ATOM 232 CD ARG A 12 3.946 5.002 0.221 1.00 0.00 C ATOM 233 NE ARG A 12 3.121 5.613 -0.817 1.00 0.00 N ATOM 234 CZ ARG A 12 2.340 6.671 -0.610 1.00 0.00 C ATOM 235 NH1 ARG A 12 2.254 7.210 0.599 1.00 0.00 N ATOM 236 NH2 ARG A 12 1.643 7.191 -1.611 1.00 0.00 N ATOM 0 H ARG A 12 5.588 1.699 -1.322 1.00 0.00 H new ATOM 0 HA ARG A 12 7.259 3.478 -2.652 1.00 0.00 H new ATOM 0 HB2 ARG A 12 5.826 5.222 -1.466 1.00 0.00 H new ATOM 0 HB3 ARG A 12 4.960 4.027 -2.410 1.00 0.00 H new ATOM 0 HG2 ARG A 12 4.044 2.999 -0.547 1.00 0.00 H new ATOM 0 HG3 ARG A 12 5.384 3.431 0.496 1.00 0.00 H new ATOM 0 HD2 ARG A 12 3.310 4.688 1.049 1.00 0.00 H new ATOM 0 HD3 ARG A 12 4.638 5.746 0.616 1.00 0.00 H new ATOM 0 HE ARG A 12 3.144 5.207 -1.752 1.00 0.00 H new ATOM 0 HH11 ARG A 12 2.787 6.814 1.373 1.00 0.00 H new ATOM 0 HH12 ARG A 12 1.655 8.021 0.755 1.00 0.00 H new ATOM 0 HH21 ARG A 12 1.704 6.780 -2.543 1.00 0.00 H new ATOM 0 HH22 ARG A 12 1.045 8.002 -1.449 1.00 0.00 H new ATOM 250 N ARG A 13 7.616 3.582 0.641 1.00 0.00 N ATOM 251 CA ARG A 13 8.525 3.995 1.704 1.00 0.00 C ATOM 252 C ARG A 13 9.772 3.117 1.728 1.00 0.00 C ATOM 253 O ARG A 13 10.546 3.221 2.702 1.00 0.00 O ATOM 254 CB ARG A 13 7.817 3.941 3.059 1.00 0.00 C ATOM 255 CG ARG A 13 7.256 2.571 3.399 1.00 0.00 C ATOM 256 CD ARG A 13 6.604 2.564 4.773 1.00 0.00 C ATOM 257 NE ARG A 13 7.534 2.973 5.824 1.00 0.00 N ATOM 258 CZ ARG A 13 8.638 2.300 6.140 1.00 0.00 C ATOM 259 NH1 ARG A 13 8.941 1.175 5.507 1.00 0.00 N ATOM 260 NH2 ARG A 13 9.439 2.753 7.095 1.00 0.00 N ATOM 0 H ARG A 13 6.777 3.101 0.966 1.00 0.00 H new ATOM 0 HA ARG A 13 8.833 5.022 1.506 1.00 0.00 H new ATOM 0 HB2 ARG A 13 8.518 4.241 3.838 1.00 0.00 H new ATOM 0 HB3 ARG A 13 7.005 4.668 3.064 1.00 0.00 H new ATOM 0 HG2 ARG A 13 6.524 2.279 2.646 1.00 0.00 H new ATOM 0 HG3 ARG A 13 8.056 1.831 3.370 1.00 0.00 H new ATOM 0 HD2 ARG A 13 5.744 3.234 4.769 1.00 0.00 H new ATOM 0 HD3 ARG A 13 6.228 1.564 4.991 1.00 0.00 H new ATOM 0 HE ARG A 13 7.325 3.824 6.346 1.00 0.00 H new ATOM 0 HH11 ARG A 13 8.327 0.821 4.774 1.00 0.00 H new ATOM 0 HH12 ARG A 13 9.788 0.664 5.753 1.00 0.00 H new ATOM 0 HH21 ARG A 13 9.209 3.617 7.587 1.00 0.00 H new ATOM 0 HH22 ARG A 13 10.285 2.238 7.338 1.00 0.00 H new HETATM 274 N NH2 A 14 9.688 1.861 1.304 1.00 0.00 N TER 277 NH2 A 14