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= -0.1 (180deg=-0.435) USER MOD ----------------------------------------------------------------- ATOM 1 N VAL A 1 6.833 3.407 5.619 1.00 0.00 N ATOM 2 CA VAL A 1 6.441 2.768 4.336 1.00 0.00 C ATOM 3 C VAL A 1 7.662 2.430 3.489 1.00 0.00 C ATOM 4 O VAL A 1 8.473 3.302 3.174 1.00 0.00 O ATOM 5 CB VAL A 1 5.504 3.685 3.517 1.00 0.00 C ATOM 6 CG1 VAL A 1 6.111 5.071 3.356 1.00 0.00 C ATOM 7 CG2 VAL A 1 5.206 3.072 2.154 1.00 0.00 C ATOM 0 H1 VAL A 1 5.991 3.807 6.079 1.00 0.00 H new ATOM 0 H2 VAL A 1 7.264 2.696 6.244 1.00 0.00 H new ATOM 0 H3 VAL A 1 7.519 4.166 5.433 1.00 0.00 H new ATOM 0 HA VAL A 1 5.914 1.848 4.591 1.00 0.00 H new ATOM 0 HB VAL A 1 4.565 3.783 4.062 1.00 0.00 H new ATOM 0 HG11 VAL A 1 5.435 5.699 2.777 1.00 0.00 H new ATOM 0 HG12 VAL A 1 6.267 5.516 4.339 1.00 0.00 H new ATOM 0 HG13 VAL A 1 7.066 4.992 2.837 1.00 0.00 H new ATOM 0 HG21 VAL A 1 4.545 3.734 1.594 1.00 0.00 H new ATOM 0 HG22 VAL A 1 6.137 2.939 1.603 1.00 0.00 H new ATOM 0 HG23 VAL A 1 4.722 2.104 2.288 1.00 0.00 H new ATOM 19 N ARG A 2 7.779 1.163 3.106 1.00 0.00 N ATOM 20 CA ARG A 2 8.890 0.726 2.275 1.00 0.00 C ATOM 21 C ARG A 2 8.659 1.221 0.851 1.00 0.00 C ATOM 22 O ARG A 2 9.327 2.147 0.390 1.00 0.00 O ATOM 23 CB ARG A 2 9.006 -0.804 2.308 1.00 0.00 C ATOM 24 CG ARG A 2 10.418 -1.341 2.088 1.00 0.00 C ATOM 25 CD ARG A 2 10.934 -1.079 0.679 1.00 0.00 C ATOM 26 NE ARG A 2 11.282 0.323 0.461 1.00 0.00 N ATOM 27 CZ ARG A 2 12.236 0.965 1.133 1.00 0.00 C ATOM 28 NH1 ARG A 2 12.947 0.330 2.056 1.00 0.00 N ATOM 29 NH2 ARG A 2 12.484 2.242 0.876 1.00 0.00 N ATOM 0 H ARG A 2 7.121 0.426 3.357 1.00 0.00 H new ATOM 0 HA ARG A 2 9.824 1.140 2.654 1.00 0.00 H new ATOM 0 HB2 ARG A 2 8.642 -1.162 3.271 1.00 0.00 H new ATOM 0 HB3 ARG A 2 8.350 -1.221 1.544 1.00 0.00 H new ATOM 0 HG2 ARG A 2 11.094 -0.881 2.809 1.00 0.00 H new ATOM 0 HG3 ARG A 2 10.428 -2.414 2.281 1.00 0.00 H new ATOM 0 HD2 ARG A 2 11.811 -1.700 0.496 1.00 0.00 H new ATOM 0 HD3 ARG A 2 10.175 -1.378 -0.044 1.00 0.00 H new ATOM 0 HE ARG A 2 10.763 0.841 -0.248 1.00 0.00 H new ATOM 0 HH11 ARG A 2 12.764 -0.654 2.253 1.00 0.00 H new ATOM 0 HH12 ARG A 2 13.677 0.826 2.568 1.00 0.00 H new ATOM 0 HH21 ARG A 2 11.944 2.733 0.163 1.00 0.00 H new ATOM 0 HH22 ARG A 2 13.215 2.733 1.391 1.00 0.00 H new ATOM 43 N ARG A 3 7.683 0.617 0.175 1.00 0.00 N ATOM 44 CA ARG A 3 7.330 1.014 -1.185 1.00 0.00 C ATOM 45 C ARG A 3 6.122 0.236 -1.701 1.00 0.00 C ATOM 46 O ARG A 3 5.912 0.137 -2.911 1.00 0.00 O ATOM 47 CB ARG A 3 8.531 0.831 -2.125 1.00 0.00 C ATOM 48 CG ARG A 3 9.065 -0.595 -2.186 1.00 0.00 C ATOM 49 CD ARG A 3 8.244 -1.470 -3.122 1.00 0.00 C ATOM 50 NE ARG A 3 8.657 -2.870 -3.070 1.00 0.00 N ATOM 51 CZ ARG A 3 8.065 -3.841 -3.759 1.00 0.00 C ATOM 52 NH1 ARG A 3 7.028 -3.568 -4.541 1.00 0.00 N ATOM 53 NH2 ARG A 3 8.506 -5.087 -3.665 1.00 0.00 N ATOM 0 H ARG A 3 7.123 -0.149 0.548 1.00 0.00 H new ATOM 0 HA ARG A 3 7.058 2.069 -1.163 1.00 0.00 H new ATOM 0 HB2 ARG A 3 8.243 1.142 -3.129 1.00 0.00 H new ATOM 0 HB3 ARG A 3 9.334 1.494 -1.804 1.00 0.00 H new ATOM 0 HG2 ARG A 3 10.102 -0.580 -2.520 1.00 0.00 H new ATOM 0 HG3 ARG A 3 9.059 -1.028 -1.186 1.00 0.00 H new ATOM 0 HD2 ARG A 3 7.190 -1.394 -2.857 1.00 0.00 H new ATOM 0 HD3 ARG A 3 8.344 -1.101 -4.143 1.00 0.00 H new ATOM 0 HE ARG A 3 9.445 -3.117 -2.471 1.00 0.00 H new ATOM 0 HH11 ARG A 3 6.683 -2.611 -4.615 1.00 0.00 H new ATOM 0 HH12 ARG A 3 6.576 -4.315 -5.068 1.00 0.00 H new ATOM 0 HH21 ARG A 3 9.301 -5.303 -3.063 1.00 0.00 H new ATOM 0 HH22 ARG A 3 8.051 -5.830 -4.194 1.00 0.00 H new ATOM 67 N PHE A 4 5.316 -0.297 -0.789 1.00 0.00 N ATOM 68 CA PHE A 4 4.132 -1.044 -1.184 1.00 0.00 C ATOM 69 C PHE A 4 3.085 -1.032 -0.075 1.00 0.00 C ATOM 70 O PHE A 4 1.895 -0.942 -0.341 1.00 0.00 O ATOM 71 CB PHE A 4 4.494 -2.487 -1.563 1.00 0.00 C ATOM 72 CG PHE A 4 4.658 -3.416 -0.390 1.00 0.00 C ATOM 73 CD1 PHE A 4 3.547 -3.925 0.272 1.00 0.00 C ATOM 74 CD2 PHE A 4 5.919 -3.790 0.039 1.00 0.00 C ATOM 75 CE1 PHE A 4 3.697 -4.784 1.343 1.00 0.00 C ATOM 76 CE2 PHE A 4 6.074 -4.652 1.108 1.00 0.00 C ATOM 77 CZ PHE A 4 4.963 -5.150 1.761 1.00 0.00 C ATOM 0 H PHE A 4 5.460 -0.226 0.218 1.00 0.00 H new ATOM 0 HA PHE A 4 3.708 -0.556 -2.061 1.00 0.00 H new ATOM 0 HB2 PHE A 4 3.718 -2.883 -2.219 1.00 0.00 H new ATOM 0 HB3 PHE A 4 5.421 -2.478 -2.136 1.00 0.00 H new ATOM 0 HD1 PHE A 4 2.556 -3.646 -0.054 1.00 0.00 H new ATOM 0 HD2 PHE A 4 6.792 -3.404 -0.467 1.00 0.00 H new ATOM 0 HE1 PHE A 4 2.827 -5.169 1.853 1.00 0.00 H new ATOM 0 HE2 PHE A 4 7.064 -4.936 1.433 1.00 0.00 H new ATOM 0 HZ PHE A 4 5.083 -5.824 2.596 1.00 0.00 H new ATOM 87 N ALA A 5 3.531 -1.135 1.168 1.00 0.00 N ATOM 88 CA ALA A 5 2.616 -1.150 2.301 1.00 0.00 C ATOM 89 C ALA A 5 2.162 0.259 2.691 1.00 0.00 C ATOM 90 O ALA A 5 2.307 0.687 3.837 1.00 0.00 O ATOM 91 CB ALA A 5 3.267 -1.853 3.470 1.00 0.00 C ATOM 0 H ALA A 5 4.517 -1.209 1.418 1.00 0.00 H new ATOM 0 HA ALA A 5 1.720 -1.697 2.007 1.00 0.00 H new ATOM 0 HB1 ALA A 5 2.581 -1.863 4.317 1.00 0.00 H new ATOM 0 HB2 ALA A 5 3.511 -2.877 3.189 1.00 0.00 H new ATOM 0 HB3 ALA A 5 4.180 -1.326 3.749 1.00 0.00 H new ATOM 97 N TRP A 6 1.604 0.956 1.716 1.00 0.00 N ATOM 98 CA TRP A 6 1.092 2.315 1.878 1.00 0.00 C ATOM 99 C TRP A 6 -0.099 2.483 0.977 1.00 0.00 C ATOM 100 O TRP A 6 -1.084 3.136 1.315 1.00 0.00 O ATOM 101 CB TRP A 6 2.093 3.353 1.409 1.00 0.00 C ATOM 102 CG TRP A 6 2.608 3.032 0.052 1.00 0.00 C ATOM 103 CD1 TRP A 6 3.287 1.926 -0.335 1.00 0.00 C ATOM 104 CD2 TRP A 6 2.435 3.822 -1.099 1.00 0.00 C ATOM 105 NE1 TRP A 6 3.508 1.957 -1.687 1.00 0.00 N ATOM 106 CE2 TRP A 6 3.001 3.131 -2.179 1.00 0.00 C ATOM 107 CE3 TRP A 6 1.843 5.048 -1.305 1.00 0.00 C ATOM 108 CZ2 TRP A 6 2.979 3.637 -3.470 1.00 0.00 C ATOM 109 CZ3 TRP A 6 1.823 5.568 -2.584 1.00 0.00 C ATOM 110 CH2 TRP A 6 2.385 4.858 -3.656 1.00 0.00 C ATOM 0 H TRP A 6 1.490 0.591 0.771 1.00 0.00 H new ATOM 0 HA TRP A 6 0.866 2.454 2.935 1.00 0.00 H new ATOM 0 HB2 TRP A 6 1.623 4.336 1.399 1.00 0.00 H new ATOM 0 HB3 TRP A 6 2.924 3.404 2.113 1.00 0.00 H new ATOM 0 HD1 TRP A 6 3.608 1.134 0.326 1.00 0.00 H new ATOM 0 HE1 TRP A 6 3.971 1.231 -2.233 1.00 0.00 H new ATOM 0 HE3 TRP A 6 1.403 5.592 -0.482 1.00 0.00 H new ATOM 0 HZ2 TRP A 6 3.412 3.091 -4.295 1.00 0.00 H new ATOM 0 HZ3 TRP A 6 1.370 6.532 -2.761 1.00 0.00 H new ATOM 0 HH2 TRP A 6 2.349 5.283 -4.648 1.00 0.00 H new ATOM 121 N TRP A 7 0.048 1.914 -0.208 1.00 0.00 N ATOM 122 CA TRP A 7 -0.952 1.988 -1.218 1.00 0.00 C ATOM 123 C TRP A 7 -2.100 1.099 -0.893 1.00 0.00 C ATOM 124 O TRP A 7 -3.175 1.242 -1.449 1.00 0.00 O ATOM 125 CB TRP A 7 -0.352 1.655 -2.576 1.00 0.00 C ATOM 126 CG TRP A 7 0.269 0.292 -2.680 1.00 0.00 C ATOM 127 CD1 TRP A 7 1.567 0.022 -2.921 1.00 0.00 C ATOM 128 CD2 TRP A 7 -0.381 -0.971 -2.587 1.00 0.00 C ATOM 129 NE1 TRP A 7 1.777 -1.330 -2.991 1.00 0.00 N ATOM 130 CE2 TRP A 7 0.590 -1.962 -2.786 1.00 0.00 C ATOM 131 CE3 TRP A 7 -1.687 -1.358 -2.353 1.00 0.00 C ATOM 132 CZ2 TRP A 7 0.287 -3.311 -2.759 1.00 0.00 C ATOM 133 CZ3 TRP A 7 -1.994 -2.681 -2.321 1.00 0.00 C ATOM 134 CH2 TRP A 7 -1.017 -3.653 -2.524 1.00 0.00 C ATOM 0 H TRP A 7 0.877 1.387 -0.482 1.00 0.00 H new ATOM 0 HA TRP A 7 -1.334 3.008 -1.260 1.00 0.00 H new ATOM 0 HB2 TRP A 7 -1.133 1.740 -3.332 1.00 0.00 H new ATOM 0 HB3 TRP A 7 0.405 2.402 -2.814 1.00 0.00 H new ATOM 0 HD1 TRP A 7 2.337 0.770 -3.042 1.00 0.00 H new ATOM 0 HE1 TRP A 7 2.672 -1.786 -3.167 1.00 0.00 H new ATOM 0 HE3 TRP A 7 -2.456 -0.616 -2.197 1.00 0.00 H new ATOM 0 HZ2 TRP A 7 1.047 -4.062 -2.917 1.00 0.00 H new ATOM 0 HZ3 TRP A 7 -3.014 -2.985 -2.135 1.00 0.00 H new ATOM 0 HH2 TRP A 7 -1.294 -4.696 -2.495 1.00 0.00 H new ATOM 145 N TRP A 8 -1.876 0.168 0.005 1.00 0.00 N ATOM 146 CA TRP A 8 -2.929 -0.742 0.369 1.00 0.00 C ATOM 147 C TRP A 8 -4.121 0.026 0.789 1.00 0.00 C ATOM 148 O TRP A 8 -5.221 -0.156 0.268 1.00 0.00 O ATOM 149 CB TRP A 8 -2.543 -1.635 1.515 1.00 0.00 C ATOM 150 CG TRP A 8 -1.447 -2.498 1.172 1.00 0.00 C ATOM 151 CD1 TRP A 8 -0.435 -2.159 0.402 1.00 0.00 C ATOM 152 CD2 TRP A 8 -1.268 -3.821 1.571 1.00 0.00 C ATOM 153 NE1 TRP A 8 0.402 -3.234 0.235 1.00 0.00 N ATOM 154 CE2 TRP A 8 -0.093 -4.281 0.973 1.00 0.00 C ATOM 155 CE3 TRP A 8 -2.003 -4.651 2.374 1.00 0.00 C ATOM 156 CZ2 TRP A 8 0.368 -5.579 1.161 1.00 0.00 C ATOM 157 CZ3 TRP A 8 -1.566 -5.926 2.569 1.00 0.00 C ATOM 158 CH2 TRP A 8 -0.386 -6.395 1.965 1.00 0.00 C ATOM 0 H TRP A 8 -0.989 0.024 0.488 1.00 0.00 H new ATOM 0 HA TRP A 8 -3.131 -1.358 -0.507 1.00 0.00 H new ATOM 0 HB2 TRP A 8 -2.270 -1.025 2.376 1.00 0.00 H new ATOM 0 HB3 TRP A 8 -3.401 -2.238 1.812 1.00 0.00 H new ATOM 0 HD1 TRP A 8 -0.286 -1.182 -0.033 1.00 0.00 H new ATOM 0 HE1 TRP A 8 1.246 -3.252 -0.338 1.00 0.00 H new ATOM 0 HE3 TRP A 8 -2.911 -4.302 2.843 1.00 0.00 H new ATOM 0 HZ2 TRP A 8 1.278 -5.929 0.696 1.00 0.00 H new ATOM 0 HZ3 TRP A 8 -2.137 -6.590 3.200 1.00 0.00 H new ATOM 0 HH2 TRP A 8 -0.069 -7.413 2.137 1.00 0.00 H new ATOM 169 N PRO A 9 -3.909 0.895 1.775 1.00 0.00 N ATOM 170 CA PRO A 9 -4.953 1.693 2.310 1.00 0.00 C ATOM 171 C PRO A 9 -5.907 2.157 1.227 1.00 0.00 C ATOM 172 O PRO A 9 -7.124 2.074 1.387 1.00 0.00 O ATOM 173 CB PRO A 9 -4.177 2.831 2.950 1.00 0.00 C ATOM 174 CG PRO A 9 -3.001 2.139 3.526 1.00 0.00 C ATOM 175 CD PRO A 9 -2.625 1.144 2.482 1.00 0.00 C ATOM 0 HA PRO A 9 -5.603 1.174 3.015 1.00 0.00 H new ATOM 0 HB2 PRO A 9 -3.885 3.584 2.218 1.00 0.00 H new ATOM 0 HB3 PRO A 9 -4.762 3.340 3.716 1.00 0.00 H new ATOM 0 HG2 PRO A 9 -2.186 2.835 3.727 1.00 0.00 H new ATOM 0 HG3 PRO A 9 -3.246 1.654 4.471 1.00 0.00 H new ATOM 0 HD2 PRO A 9 -1.863 1.535 1.808 1.00 0.00 H new ATOM 0 HD3 PRO A 9 -2.223 0.231 2.921 1.00 0.00 H new ATOM 183 N PHE A 10 -5.354 2.598 0.101 1.00 0.00 N ATOM 184 CA PHE A 10 -6.201 3.007 -1.014 1.00 0.00 C ATOM 185 C PHE A 10 -6.404 1.853 -1.994 1.00 0.00 C ATOM 186 O PHE A 10 -7.523 1.390 -2.210 1.00 0.00 O ATOM 187 CB PHE A 10 -5.628 4.194 -1.780 1.00 0.00 C ATOM 188 CG PHE A 10 -4.214 4.569 -1.455 1.00 0.00 C ATOM 189 CD1 PHE A 10 -3.869 5.085 -0.216 1.00 0.00 C ATOM 190 CD2 PHE A 10 -3.230 4.420 -2.411 1.00 0.00 C ATOM 191 CE1 PHE A 10 -2.564 5.440 0.058 1.00 0.00 C ATOM 192 CE2 PHE A 10 -1.931 4.779 -2.149 1.00 0.00 C ATOM 193 CZ PHE A 10 -1.592 5.290 -0.911 1.00 0.00 C ATOM 0 H PHE A 10 -4.350 2.680 -0.062 1.00 0.00 H new ATOM 0 HA PHE A 10 -7.153 3.304 -0.575 1.00 0.00 H new ATOM 0 HB2 PHE A 10 -5.688 3.976 -2.846 1.00 0.00 H new ATOM 0 HB3 PHE A 10 -6.264 5.060 -1.596 1.00 0.00 H new ATOM 0 HD1 PHE A 10 -4.628 5.210 0.542 1.00 0.00 H new ATOM 0 HD2 PHE A 10 -3.485 4.015 -3.379 1.00 0.00 H new ATOM 0 HE1 PHE A 10 -2.303 5.835 1.029 1.00 0.00 H new ATOM 0 HE2 PHE A 10 -1.174 4.662 -2.911 1.00 0.00 H new ATOM 0 HZ PHE A 10 -0.570 5.571 -0.702 1.00 0.00 H new ATOM 203 N LEU A 11 -5.304 1.418 -2.599 1.00 0.00 N ATOM 204 CA LEU A 11 -5.316 0.341 -3.583 1.00 0.00 C ATOM 205 C LEU A 11 -6.051 -0.910 -3.110 1.00 0.00 C ATOM 206 O LEU A 11 -7.181 -1.172 -3.521 1.00 0.00 O ATOM 207 CB LEU A 11 -3.905 -0.055 -3.966 1.00 0.00 C ATOM 208 CG LEU A 11 -3.057 0.994 -4.685 1.00 0.00 C ATOM 209 CD1 LEU A 11 -1.782 0.338 -5.153 1.00 0.00 C ATOM 210 CD2 LEU A 11 -3.814 1.610 -5.855 1.00 0.00 C ATOM 0 H LEU A 11 -4.377 1.803 -2.421 1.00 0.00 H new ATOM 0 HA LEU A 11 -5.854 0.743 -4.442 1.00 0.00 H new ATOM 0 HB2 LEU A 11 -3.379 -0.351 -3.058 1.00 0.00 H new ATOM 0 HB3 LEU A 11 -3.963 -0.938 -4.603 1.00 0.00 H new ATOM 0 HG LEU A 11 -2.823 1.806 -3.996 1.00 0.00 H new ATOM 0 HD11 LEU A 11 -1.163 1.072 -5.669 1.00 0.00 H new ATOM 0 HD12 LEU A 11 -1.238 -0.055 -4.294 1.00 0.00 H new ATOM 0 HD13 LEU A 11 -2.022 -0.478 -5.835 1.00 0.00 H new ATOM 0 HD21 LEU A 11 -3.184 2.352 -6.346 1.00 0.00 H new ATOM 0 HD22 LEU A 11 -4.078 0.830 -6.569 1.00 0.00 H new ATOM 0 HD23 LEU A 11 -4.722 2.090 -5.489 1.00 0.00 H new ATOM 222 N ARG A 12 -5.372 -1.702 -2.282 1.00 0.00 N ATOM 223 CA ARG A 12 -5.920 -2.961 -1.785 1.00 0.00 C ATOM 224 C ARG A 12 -7.355 -2.801 -1.279 1.00 0.00 C ATOM 225 O ARG A 12 -8.202 -3.662 -1.520 1.00 0.00 O ATOM 226 CB ARG A 12 -5.016 -3.529 -0.681 1.00 0.00 C ATOM 227 CG ARG A 12 -5.377 -3.065 0.719 1.00 0.00 C ATOM 228 CD ARG A 12 -5.302 -4.205 1.716 1.00 0.00 C ATOM 229 NE ARG A 12 -5.521 -3.750 3.087 1.00 0.00 N ATOM 230 CZ ARG A 12 -5.464 -4.550 4.148 1.00 0.00 C ATOM 231 NH1 ARG A 12 -5.193 -5.839 3.997 1.00 0.00 N ATOM 232 NH2 ARG A 12 -5.677 -4.059 5.361 1.00 0.00 N ATOM 0 H ARG A 12 -4.435 -1.491 -1.940 1.00 0.00 H new ATOM 0 HA ARG A 12 -5.951 -3.663 -2.619 1.00 0.00 H new ATOM 0 HB2 ARG A 12 -5.061 -4.618 -0.714 1.00 0.00 H new ATOM 0 HB3 ARG A 12 -3.984 -3.247 -0.891 1.00 0.00 H new ATOM 0 HG2 ARG A 12 -4.701 -2.267 1.025 1.00 0.00 H new ATOM 0 HG3 ARG A 12 -6.384 -2.647 0.717 1.00 0.00 H new ATOM 0 HD2 ARG A 12 -6.047 -4.959 1.461 1.00 0.00 H new ATOM 0 HD3 ARG A 12 -4.326 -4.685 1.645 1.00 0.00 H new ATOM 0 HE ARG A 12 -5.729 -2.763 3.239 1.00 0.00 H new ATOM 0 HH11 ARG A 12 -5.028 -6.220 3.065 1.00 0.00 H new ATOM 0 HH12 ARG A 12 -5.150 -6.450 4.813 1.00 0.00 H new ATOM 0 HH21 ARG A 12 -5.885 -3.068 5.481 1.00 0.00 H new ATOM 0 HH22 ARG A 12 -5.633 -4.673 6.175 1.00 0.00 H new ATOM 246 N ARG A 13 -7.624 -1.703 -0.579 1.00 0.00 N ATOM 247 CA ARG A 13 -8.959 -1.450 -0.046 1.00 0.00 C ATOM 248 C ARG A 13 -9.960 -1.224 -1.173 1.00 0.00 C ATOM 249 O ARG A 13 -10.695 -2.178 -1.507 1.00 0.00 O ATOM 250 CB ARG A 13 -8.939 -0.239 0.887 1.00 0.00 C ATOM 251 CG ARG A 13 -10.278 0.043 1.548 1.00 0.00 C ATOM 252 CD ARG A 13 -10.201 1.247 2.473 1.00 0.00 C ATOM 253 NE ARG A 13 -11.472 1.503 3.144 1.00 0.00 N ATOM 254 CZ ARG A 13 -11.665 2.498 4.005 1.00 0.00 C ATOM 255 NH1 ARG A 13 -10.675 3.332 4.294 1.00 0.00 N ATOM 256 NH2 ARG A 13 -12.850 2.661 4.576 1.00 0.00 N ATOM 0 H ARG A 13 -6.939 -0.977 -0.368 1.00 0.00 H new ATOM 0 HA ARG A 13 -9.269 -2.328 0.520 1.00 0.00 H new ATOM 0 HB2 ARG A 13 -8.188 -0.400 1.661 1.00 0.00 H new ATOM 0 HB3 ARG A 13 -8.631 0.640 0.321 1.00 0.00 H new ATOM 0 HG2 ARG A 13 -11.033 0.219 0.782 1.00 0.00 H new ATOM 0 HG3 ARG A 13 -10.597 -0.832 2.114 1.00 0.00 H new ATOM 0 HD2 ARG A 13 -9.424 1.082 3.219 1.00 0.00 H new ATOM 0 HD3 ARG A 13 -9.910 2.127 1.899 1.00 0.00 H new ATOM 0 HE ARG A 13 -12.257 0.884 2.941 1.00 0.00 H new ATOM 0 HH11 ARG A 13 -9.762 3.211 3.855 1.00 0.00 H new ATOM 0 HH12 ARG A 13 -10.827 4.094 4.955 1.00 0.00 H new ATOM 0 HH21 ARG A 13 -13.615 2.023 4.355 1.00 0.00 H new ATOM 0 HH22 ARG A 13 -12.997 3.424 5.236 1.00 0.00 H new HETATM 270 N NH2 A 14 -9.902 -0.098 -1.872 1.00 0.00 N TER 273 NH2 A 14