USER MOD reduce.3.24.130724 H: found=0, std=0, add=132, rem=0, adj=1 USER MOD reduce.3.24.130724 removed 132 hydrogens (0 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 NoAdj-H: A 1 GLY H1 : A 1 GLY N : A 18 ARG C :(NH2R) USER MOD NoAdj-H: A 1 GLY H3 : A 1 GLY N : A 18 ARG C :(NH2R) USER MOD Single : A 1 GLY N :NH3+ 180:sc= -0.287 (180deg=-0.287) USER MOD Single : A 17 THR OG1 : rot 180:sc= 0 USER MOD ----------------------------------------------------------------- ATOM 1 N GLY A 1 -11.980 -1.056 0.554 1.00 0.00 N ATOM 2 CA GLY A 1 -12.345 -2.443 0.359 1.00 0.00 C ATOM 3 C GLY A 1 -11.547 -3.100 -0.739 1.00 0.00 C ATOM 4 O GLY A 1 -11.710 -4.297 -1.010 1.00 0.00 O ATOM 0 H2 GLY A 1 -12.556 -0.650 1.319 1.00 0.00 H new ATOM 0 HA2 GLY A 1 -12.195 -2.989 1.290 1.00 0.00 H new ATOM 0 HA3 GLY A 1 -13.407 -2.506 0.120 1.00 0.00 H new ATOM 8 N ASP A 2 -10.701 -2.338 -1.383 1.00 0.00 N ATOM 9 CA ASP A 2 -9.862 -2.853 -2.426 1.00 0.00 C ATOM 10 C ASP A 2 -8.467 -2.926 -1.907 1.00 0.00 C ATOM 11 O ASP A 2 -7.888 -1.900 -1.510 1.00 0.00 O ATOM 12 CB ASP A 2 -9.905 -1.973 -3.686 1.00 0.00 C ATOM 13 CG ASP A 2 -11.201 -2.060 -4.465 1.00 0.00 C ATOM 14 OD1 ASP A 2 -11.326 -2.939 -5.333 1.00 0.00 O ATOM 15 OD2 ASP A 2 -12.116 -1.231 -4.247 1.00 0.00 O ATOM 0 H ASP A 2 -10.577 -1.343 -1.197 1.00 0.00 H new ATOM 0 HA ASP A 2 -10.224 -3.841 -2.712 1.00 0.00 H new ATOM 0 HB2 ASP A 2 -9.738 -0.936 -3.396 1.00 0.00 H new ATOM 0 HB3 ASP A 2 -9.081 -2.257 -4.341 1.00 0.00 H new ATOM 20 N CYS A 3 -7.933 -4.103 -1.843 1.00 0.00 N ATOM 21 CA CYS A 3 -6.593 -4.261 -1.380 1.00 0.00 C ATOM 22 C CYS A 3 -5.649 -4.222 -2.518 1.00 0.00 C ATOM 23 O CYS A 3 -5.738 -4.998 -3.471 1.00 0.00 O ATOM 24 CB CYS A 3 -6.409 -5.489 -0.535 1.00 0.00 C ATOM 25 SG CYS A 3 -7.440 -5.505 0.972 1.00 0.00 S ATOM 0 H CYS A 3 -8.404 -4.969 -2.105 1.00 0.00 H new ATOM 0 HA CYS A 3 -6.372 -3.420 -0.723 1.00 0.00 H new ATOM 0 HB2 CYS A 3 -6.643 -6.369 -1.134 1.00 0.00 H new ATOM 0 HB3 CYS A 3 -5.360 -5.568 -0.248 1.00 0.00 H new ATOM 30 N ARG A 4 -4.779 -3.305 -2.434 1.00 0.00 N ATOM 31 CA ARG A 4 -3.854 -3.017 -3.482 1.00 0.00 C ATOM 32 C ARG A 4 -2.453 -3.142 -2.958 1.00 0.00 C ATOM 33 O ARG A 4 -2.132 -2.615 -1.890 1.00 0.00 O ATOM 34 CB ARG A 4 -4.109 -1.592 -3.975 1.00 0.00 C ATOM 35 CG ARG A 4 -5.510 -1.381 -4.542 1.00 0.00 C ATOM 36 CD ARG A 4 -5.788 0.084 -4.803 1.00 0.00 C ATOM 37 NE ARG A 4 -4.823 0.678 -5.726 1.00 0.00 N ATOM 38 CZ ARG A 4 -4.503 1.977 -5.753 1.00 0.00 C ATOM 39 NH1 ARG A 4 -5.087 2.829 -4.916 1.00 0.00 N ATOM 40 NH2 ARG A 4 -3.605 2.419 -6.620 1.00 0.00 N ATOM 0 H ARG A 4 -4.674 -2.706 -1.615 1.00 0.00 H new ATOM 0 HA ARG A 4 -3.982 -3.718 -4.307 1.00 0.00 H new ATOM 0 HB2 ARG A 4 -3.952 -0.898 -3.149 1.00 0.00 H new ATOM 0 HB3 ARG A 4 -3.375 -1.346 -4.742 1.00 0.00 H new ATOM 0 HG2 ARG A 4 -5.617 -1.944 -5.469 1.00 0.00 H new ATOM 0 HG3 ARG A 4 -6.249 -1.774 -3.844 1.00 0.00 H new ATOM 0 HD2 ARG A 4 -6.793 0.193 -5.212 1.00 0.00 H new ATOM 0 HD3 ARG A 4 -5.767 0.629 -3.859 1.00 0.00 H new ATOM 0 HE ARG A 4 -4.362 0.061 -6.395 1.00 0.00 H new ATOM 0 HH11 ARG A 4 -5.782 2.493 -4.249 1.00 0.00 H new ATOM 0 HH12 ARG A 4 -4.840 3.818 -4.940 1.00 0.00 H new ATOM 0 HH21 ARG A 4 -3.158 1.769 -7.267 1.00 0.00 H new ATOM 0 HH22 ARG A 4 -3.361 3.409 -6.641 1.00 0.00 H new ATOM 54 N CYS A 5 -1.631 -3.859 -3.646 1.00 0.00 N ATOM 55 CA CYS A 5 -0.277 -3.962 -3.229 1.00 0.00 C ATOM 56 C CYS A 5 0.585 -3.031 -4.030 1.00 0.00 C ATOM 57 O CYS A 5 0.435 -2.909 -5.255 1.00 0.00 O ATOM 58 CB CYS A 5 0.237 -5.390 -3.241 1.00 0.00 C ATOM 59 SG CYS A 5 -0.702 -6.535 -2.152 1.00 0.00 S ATOM 0 H CYS A 5 -1.870 -4.377 -4.491 1.00 0.00 H new ATOM 0 HA CYS A 5 -0.227 -3.652 -2.185 1.00 0.00 H new ATOM 0 HB2 CYS A 5 0.203 -5.768 -4.263 1.00 0.00 H new ATOM 0 HB3 CYS A 5 1.283 -5.391 -2.935 1.00 0.00 H new ATOM 64 N LEU A 6 1.433 -2.354 -3.341 1.00 0.00 N ATOM 65 CA LEU A 6 2.307 -1.367 -3.920 1.00 0.00 C ATOM 66 C LEU A 6 3.729 -1.621 -3.462 1.00 0.00 C ATOM 67 O LEU A 6 3.967 -1.922 -2.294 1.00 0.00 O ATOM 68 CB LEU A 6 1.864 0.028 -3.472 1.00 0.00 C ATOM 69 CG LEU A 6 2.695 1.210 -3.982 1.00 0.00 C ATOM 70 CD1 LEU A 6 2.596 1.347 -5.497 1.00 0.00 C ATOM 71 CD2 LEU A 6 2.266 2.487 -3.292 1.00 0.00 C ATOM 0 H LEU A 6 1.550 -2.465 -2.334 1.00 0.00 H new ATOM 0 HA LEU A 6 2.261 -1.431 -5.007 1.00 0.00 H new ATOM 0 HB2 LEU A 6 0.832 0.176 -3.789 1.00 0.00 H new ATOM 0 HB3 LEU A 6 1.869 0.053 -2.382 1.00 0.00 H new ATOM 0 HG LEU A 6 3.741 1.020 -3.741 1.00 0.00 H new ATOM 0 HD11 LEU A 6 3.197 2.195 -5.826 1.00 0.00 H new ATOM 0 HD12 LEU A 6 2.964 0.436 -5.970 1.00 0.00 H new ATOM 0 HD13 LEU A 6 1.556 1.508 -5.781 1.00 0.00 H new ATOM 0 HD21 LEU A 6 2.864 3.320 -3.663 1.00 0.00 H new ATOM 0 HD22 LEU A 6 1.213 2.676 -3.499 1.00 0.00 H new ATOM 0 HD23 LEU A 6 2.412 2.386 -2.217 1.00 0.00 H new ATOM 83 N CYS A 7 4.654 -1.534 -4.351 1.00 0.00 N ATOM 84 CA CYS A 7 6.022 -1.722 -3.985 1.00 0.00 C ATOM 85 C CYS A 7 6.728 -0.386 -3.919 1.00 0.00 C ATOM 86 O CYS A 7 6.673 0.408 -4.858 1.00 0.00 O ATOM 87 CB CYS A 7 6.719 -2.719 -4.909 1.00 0.00 C ATOM 88 SG CYS A 7 5.899 -4.365 -4.965 1.00 0.00 S ATOM 0 H CYS A 7 4.494 -1.334 -5.338 1.00 0.00 H new ATOM 0 HA CYS A 7 6.064 -2.163 -2.989 1.00 0.00 H new ATOM 0 HB2 CYS A 7 6.754 -2.305 -5.917 1.00 0.00 H new ATOM 0 HB3 CYS A 7 7.750 -2.847 -4.581 1.00 0.00 H new ATOM 93 N ARG A 8 7.357 -0.131 -2.794 1.00 0.00 N ATOM 94 CA ARG A 8 8.003 1.123 -2.545 1.00 0.00 C ATOM 95 C ARG A 8 9.264 0.859 -1.726 1.00 0.00 C ATOM 96 O ARG A 8 9.253 0.033 -0.818 1.00 0.00 O ATOM 97 CB ARG A 8 7.048 2.048 -1.760 1.00 0.00 C ATOM 98 CG ARG A 8 7.507 3.497 -1.664 1.00 0.00 C ATOM 99 CD ARG A 8 7.412 4.199 -3.016 1.00 0.00 C ATOM 100 NE ARG A 8 6.016 4.377 -3.463 1.00 0.00 N ATOM 101 CZ ARG A 8 5.608 4.391 -4.746 1.00 0.00 C ATOM 102 NH1 ARG A 8 6.454 4.068 -5.730 1.00 0.00 N ATOM 103 NH2 ARG A 8 4.344 4.698 -5.038 1.00 0.00 N ATOM 0 H ARG A 8 7.431 -0.797 -2.025 1.00 0.00 H new ATOM 0 HA ARG A 8 8.266 1.608 -3.485 1.00 0.00 H new ATOM 0 HB2 ARG A 8 6.067 2.022 -2.234 1.00 0.00 H new ATOM 0 HB3 ARG A 8 6.926 1.652 -0.752 1.00 0.00 H new ATOM 0 HG2 ARG A 8 6.896 4.027 -0.933 1.00 0.00 H new ATOM 0 HG3 ARG A 8 8.536 3.532 -1.305 1.00 0.00 H new ATOM 0 HD2 ARG A 8 7.896 5.173 -2.951 1.00 0.00 H new ATOM 0 HD3 ARG A 8 7.958 3.621 -3.761 1.00 0.00 H new ATOM 0 HE ARG A 8 5.304 4.499 -2.743 1.00 0.00 H new ATOM 0 HH11 ARG A 8 7.416 3.809 -5.511 1.00 0.00 H new ATOM 0 HH12 ARG A 8 6.137 4.081 -6.700 1.00 0.00 H new ATOM 0 HH21 ARG A 8 3.688 4.922 -4.290 1.00 0.00 H new ATOM 0 HH22 ARG A 8 4.033 4.709 -6.009 1.00 0.00 H new ATOM 117 N ARG A 9 10.363 1.517 -2.096 1.00 0.00 N ATOM 118 CA ARG A 9 11.677 1.407 -1.407 1.00 0.00 C ATOM 119 C ARG A 9 12.239 -0.011 -1.552 1.00 0.00 C ATOM 120 O ARG A 9 13.117 -0.436 -0.797 1.00 0.00 O ATOM 121 CB ARG A 9 11.595 1.782 0.092 1.00 0.00 C ATOM 122 CG ARG A 9 10.877 3.097 0.399 1.00 0.00 C ATOM 123 CD ARG A 9 11.445 4.275 -0.376 1.00 0.00 C ATOM 124 NE ARG A 9 10.687 5.502 -0.102 1.00 0.00 N ATOM 125 CZ ARG A 9 10.094 6.284 -1.023 1.00 0.00 C ATOM 126 NH1 ARG A 9 10.204 6.013 -2.334 1.00 0.00 N ATOM 127 NH2 ARG A 9 9.399 7.340 -0.626 1.00 0.00 N ATOM 0 H ARG A 9 10.380 2.154 -2.893 1.00 0.00 H new ATOM 0 HA ARG A 9 12.345 2.121 -1.889 1.00 0.00 H new ATOM 0 HB2 ARG A 9 11.087 0.977 0.624 1.00 0.00 H new ATOM 0 HB3 ARG A 9 12.608 1.838 0.491 1.00 0.00 H new ATOM 0 HG2 ARG A 9 9.818 2.991 0.164 1.00 0.00 H new ATOM 0 HG3 ARG A 9 10.947 3.303 1.467 1.00 0.00 H new ATOM 0 HD2 ARG A 9 12.491 4.422 -0.106 1.00 0.00 H new ATOM 0 HD3 ARG A 9 11.419 4.058 -1.444 1.00 0.00 H new ATOM 0 HE ARG A 9 10.602 5.787 0.874 1.00 0.00 H new ATOM 0 HH11 ARG A 9 10.743 5.205 -2.644 1.00 0.00 H new ATOM 0 HH12 ARG A 9 9.748 6.616 -3.019 1.00 0.00 H new ATOM 0 HH21 ARG A 9 9.318 7.553 0.368 1.00 0.00 H new ATOM 0 HH22 ARG A 9 8.945 7.940 -1.315 1.00 0.00 H new ATOM 141 N GLY A 10 11.713 -0.728 -2.518 1.00 0.00 N ATOM 142 CA GLY A 10 12.120 -2.090 -2.771 1.00 0.00 C ATOM 143 C GLY A 10 11.253 -3.101 -2.044 1.00 0.00 C ATOM 144 O GLY A 10 11.254 -4.286 -2.386 1.00 0.00 O ATOM 0 H GLY A 10 10.991 -0.383 -3.150 1.00 0.00 H new ATOM 0 HA2 GLY A 10 12.079 -2.285 -3.843 1.00 0.00 H new ATOM 0 HA3 GLY A 10 13.158 -2.219 -2.463 1.00 0.00 H new ATOM 148 N ASP A 11 10.487 -2.637 -1.086 1.00 0.00 N ATOM 149 CA ASP A 11 9.666 -3.511 -0.257 1.00 0.00 C ATOM 150 C ASP A 11 8.233 -3.411 -0.720 1.00 0.00 C ATOM 151 O ASP A 11 7.806 -2.350 -1.182 1.00 0.00 O ATOM 152 CB ASP A 11 9.780 -3.083 1.214 1.00 0.00 C ATOM 153 CG ASP A 11 9.012 -3.970 2.176 1.00 0.00 C ATOM 154 OD1 ASP A 11 7.841 -3.692 2.458 1.00 0.00 O ATOM 155 OD2 ASP A 11 9.594 -4.949 2.701 1.00 0.00 O ATOM 0 H ASP A 11 10.410 -1.647 -0.853 1.00 0.00 H new ATOM 0 HA ASP A 11 10.007 -4.542 -0.347 1.00 0.00 H new ATOM 0 HB2 ASP A 11 10.832 -3.079 1.500 1.00 0.00 H new ATOM 0 HB3 ASP A 11 9.419 -2.059 1.313 1.00 0.00 H new ATOM 160 N CYS A 12 7.491 -4.473 -0.660 1.00 0.00 N ATOM 161 CA CYS A 12 6.136 -4.384 -1.093 1.00 0.00 C ATOM 162 C CYS A 12 5.185 -4.356 0.053 1.00 0.00 C ATOM 163 O CYS A 12 5.205 -5.218 0.938 1.00 0.00 O ATOM 164 CB CYS A 12 5.767 -5.431 -2.107 1.00 0.00 C ATOM 165 SG CYS A 12 6.870 -5.484 -3.570 1.00 0.00 S ATOM 0 H CYS A 12 7.792 -5.388 -0.324 1.00 0.00 H new ATOM 0 HA CYS A 12 6.050 -3.427 -1.608 1.00 0.00 H new ATOM 0 HB2 CYS A 12 5.777 -6.408 -1.624 1.00 0.00 H new ATOM 0 HB3 CYS A 12 4.746 -5.251 -2.443 1.00 0.00 H new ATOM 170 N ARG A 13 4.364 -3.376 0.019 1.00 0.00 N ATOM 171 CA ARG A 13 3.387 -3.106 1.045 1.00 0.00 C ATOM 172 C ARG A 13 2.016 -3.309 0.460 1.00 0.00 C ATOM 173 O ARG A 13 1.793 -3.005 -0.704 1.00 0.00 O ATOM 174 CB ARG A 13 3.487 -1.644 1.520 1.00 0.00 C ATOM 175 CG ARG A 13 4.779 -1.221 2.230 1.00 0.00 C ATOM 176 CD ARG A 13 4.967 -1.920 3.577 1.00 0.00 C ATOM 177 NE ARG A 13 5.426 -3.306 3.446 1.00 0.00 N ATOM 178 CZ ARG A 13 4.939 -4.363 4.100 1.00 0.00 C ATOM 179 NH1 ARG A 13 3.854 -4.255 4.863 1.00 0.00 N ATOM 180 NH2 ARG A 13 5.526 -5.537 3.958 1.00 0.00 N ATOM 0 H ARG A 13 4.340 -2.704 -0.748 1.00 0.00 H new ATOM 0 HA ARG A 13 3.567 -3.773 1.888 1.00 0.00 H new ATOM 0 HB2 ARG A 13 3.352 -0.998 0.653 1.00 0.00 H new ATOM 0 HB3 ARG A 13 2.653 -1.451 2.195 1.00 0.00 H new ATOM 0 HG2 ARG A 13 5.631 -1.443 1.588 1.00 0.00 H new ATOM 0 HG3 ARG A 13 4.768 -0.142 2.383 1.00 0.00 H new ATOM 0 HD2 ARG A 13 5.687 -1.360 4.173 1.00 0.00 H new ATOM 0 HD3 ARG A 13 4.023 -1.906 4.122 1.00 0.00 H new ATOM 0 HE ARG A 13 6.190 -3.479 2.793 1.00 0.00 H new ATOM 0 HH11 ARG A 13 3.382 -3.355 4.954 1.00 0.00 H new ATOM 0 HH12 ARG A 13 3.494 -5.072 5.356 1.00 0.00 H new ATOM 0 HH21 ARG A 13 6.343 -5.629 3.354 1.00 0.00 H new ATOM 0 HH22 ARG A 13 5.163 -6.352 4.453 1.00 0.00 H new ATOM 194 N CYS A 14 1.115 -3.826 1.212 1.00 0.00 N ATOM 195 CA CYS A 14 -0.221 -3.940 0.729 1.00 0.00 C ATOM 196 C CYS A 14 -1.133 -3.044 1.529 1.00 0.00 C ATOM 197 O CYS A 14 -1.176 -3.117 2.767 1.00 0.00 O ATOM 198 CB CYS A 14 -0.708 -5.386 0.692 1.00 0.00 C ATOM 199 SG CYS A 14 0.299 -6.481 -0.379 1.00 0.00 S ATOM 0 H CYS A 14 1.271 -4.176 2.157 1.00 0.00 H new ATOM 0 HA CYS A 14 -0.238 -3.605 -0.308 1.00 0.00 H new ATOM 0 HB2 CYS A 14 -0.707 -5.785 1.706 1.00 0.00 H new ATOM 0 HB3 CYS A 14 -1.741 -5.403 0.343 1.00 0.00 H new ATOM 204 N ILE A 15 -1.825 -2.187 0.839 1.00 0.00 N ATOM 205 CA ILE A 15 -2.698 -1.232 1.455 1.00 0.00 C ATOM 206 C ILE A 15 -4.138 -1.487 1.020 1.00 0.00 C ATOM 207 O ILE A 15 -4.426 -1.654 -0.169 1.00 0.00 O ATOM 208 CB ILE A 15 -2.250 0.241 1.124 1.00 0.00 C ATOM 209 CG1 ILE A 15 -3.201 1.267 1.765 1.00 0.00 C ATOM 210 CG2 ILE A 15 -2.116 0.470 -0.391 1.00 0.00 C ATOM 211 CD1 ILE A 15 -2.811 2.716 1.532 1.00 0.00 C ATOM 0 H ILE A 15 -1.799 -2.130 -0.179 1.00 0.00 H new ATOM 0 HA ILE A 15 -2.639 -1.351 2.537 1.00 0.00 H new ATOM 0 HB ILE A 15 -1.261 0.386 1.559 1.00 0.00 H new ATOM 0 HG12 ILE A 15 -4.206 1.107 1.374 1.00 0.00 H new ATOM 0 HG13 ILE A 15 -3.244 1.083 2.839 1.00 0.00 H new ATOM 0 HG21 ILE A 15 -1.805 1.498 -0.578 1.00 0.00 H new ATOM 0 HG22 ILE A 15 -1.371 -0.214 -0.798 1.00 0.00 H new ATOM 0 HG23 ILE A 15 -3.077 0.288 -0.873 1.00 0.00 H new ATOM 0 HD11 ILE A 15 -3.535 3.370 2.018 1.00 0.00 H new ATOM 0 HD12 ILE A 15 -1.820 2.898 1.949 1.00 0.00 H new ATOM 0 HD13 ILE A 15 -2.797 2.922 0.462 1.00 0.00 H new ATOM 223 N CYS A 16 -5.019 -1.597 1.962 1.00 0.00 N ATOM 224 CA CYS A 16 -6.402 -1.779 1.644 1.00 0.00 C ATOM 225 C CYS A 16 -7.123 -0.466 1.747 1.00 0.00 C ATOM 226 O CYS A 16 -7.100 0.191 2.796 1.00 0.00 O ATOM 227 CB CYS A 16 -7.060 -2.864 2.501 1.00 0.00 C ATOM 228 SG CYS A 16 -6.297 -4.527 2.347 1.00 0.00 S ATOM 0 H CYS A 16 -4.807 -1.564 2.959 1.00 0.00 H new ATOM 0 HA CYS A 16 -6.471 -2.133 0.616 1.00 0.00 H new ATOM 0 HB2 CYS A 16 -7.021 -2.556 3.546 1.00 0.00 H new ATOM 0 HB3 CYS A 16 -8.113 -2.935 2.228 1.00 0.00 H new ATOM 233 N THR A 17 -7.715 -0.052 0.662 1.00 0.00 N ATOM 234 CA THR A 17 -8.390 1.209 0.621 1.00 0.00 C ATOM 235 C THR A 17 -9.763 1.015 -0.004 1.00 0.00 C ATOM 236 O THR A 17 -9.877 0.485 -1.114 1.00 0.00 O ATOM 237 CB THR A 17 -7.601 2.212 -0.229 1.00 0.00 C ATOM 238 OG1 THR A 17 -6.189 2.095 0.063 1.00 0.00 O ATOM 239 CG2 THR A 17 -8.044 3.641 0.062 1.00 0.00 C ATOM 0 H THR A 17 -7.742 -0.577 -0.212 1.00 0.00 H new ATOM 0 HA THR A 17 -8.481 1.594 1.637 1.00 0.00 H new ATOM 0 HB THR A 17 -7.790 1.988 -1.279 1.00 0.00 H new ATOM 0 HG1 THR A 17 -5.688 2.736 -0.483 1.00 0.00 H new ATOM 0 HG21 THR A 17 -7.469 4.333 -0.554 1.00 0.00 H new ATOM 0 HG22 THR A 17 -9.104 3.747 -0.167 1.00 0.00 H new ATOM 0 HG23 THR A 17 -7.876 3.867 1.115 1.00 0.00 H new ATOM 247 N ARG A 18 -10.784 1.397 0.732 1.00 0.00 N ATOM 248 CA ARG A 18 -12.194 1.324 0.314 1.00 0.00 C ATOM 249 C ARG A 18 -12.638 -0.100 -0.029 1.00 0.00 C ATOM 250 O ARG A 18 -13.554 -0.310 -0.827 1.00 0.00 O ATOM 251 CB ARG A 18 -12.466 2.264 -0.838 1.00 0.00 C ATOM 252 CG ARG A 18 -12.203 3.729 -0.521 1.00 0.00 C ATOM 253 CD ARG A 18 -12.582 4.623 -1.684 1.00 0.00 C ATOM 254 NE ARG A 18 -14.019 4.549 -1.985 1.00 0.00 N ATOM 255 CZ ARG A 18 -14.598 5.016 -3.098 1.00 0.00 C ATOM 256 NH1 ARG A 18 -13.865 5.614 -4.040 1.00 0.00 N ATOM 257 NH2 ARG A 18 -15.909 4.883 -3.265 1.00 0.00 N ATOM 0 H ARG A 18 -10.667 1.781 1.670 1.00 0.00 H new ATOM 0 HA ARG A 18 -12.789 1.640 1.171 1.00 0.00 H new ATOM 0 HB2 ARG A 18 -11.847 1.970 -1.686 1.00 0.00 H new ATOM 0 HB3 ARG A 18 -13.505 2.151 -1.147 1.00 0.00 H new ATOM 0 HG2 ARG A 18 -12.771 4.019 0.363 1.00 0.00 H new ATOM 0 HG3 ARG A 18 -11.149 3.868 -0.282 1.00 0.00 H new ATOM 0 HD2 ARG A 18 -12.312 5.653 -1.453 1.00 0.00 H new ATOM 0 HD3 ARG A 18 -12.011 4.334 -2.566 1.00 0.00 H new ATOM 0 HE ARG A 18 -14.622 4.107 -1.291 1.00 0.00 H new ATOM 0 HH11 ARG A 18 -12.858 5.717 -3.914 1.00 0.00 H new ATOM 0 HH12 ARG A 18 -14.312 5.968 -4.886 1.00 0.00 H new ATOM 0 HH21 ARG A 18 -16.471 4.426 -2.547 1.00 0.00 H new ATOM 0 HH22 ARG A 18 -16.354 5.238 -4.112 1.00 0.00 H new TER 271 ARG A 18