USER MOD reduce.3.24.130724 H: found=0, std=0, add=148, rem=0, adj=0 USER MOD reduce.3.24.130724 removed 150 hydrogens (14 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 NoAdj-H: A 3 ABA HN2 : A 3 ABA N : A 2 VAL C :(H bumps) USER MOD NoAdj-H: A 3 ABA H : A 3 ABA N : A 2 VAL C :(H bumps) USER MOD NoAdj-H: A 16 ABA HN2 : A 16 ABA N : A 15 VAL C :(H bumps) USER MOD NoAdj-H: A 16 ABA H : A 16 ABA N : A 15 VAL C :(H bumps) USER MOD Single : A 1 GLY N :NH3+ 180:sc= -0.0879 (180deg=-0.0879) USER MOD ----------------------------------------------------------------- ATOM 1 N GLY A 1 -11.859 -1.273 1.217 1.00 0.00 N ATOM 2 CA GLY A 1 -11.994 -2.430 0.377 1.00 0.00 C ATOM 3 C GLY A 1 -10.821 -2.635 -0.556 1.00 0.00 C ATOM 4 O GLY A 1 -10.723 -3.670 -1.220 1.00 0.00 O ATOM 0 H2 GLY A 1 -12.695 -1.190 1.831 1.00 0.00 H new ATOM 0 HA2 GLY A 1 -12.109 -3.314 1.004 1.00 0.00 H new ATOM 0 HA3 GLY A 1 -12.906 -2.337 -0.213 1.00 0.00 H new ATOM 8 N VAL A 2 -9.938 -1.665 -0.632 1.00 0.00 N ATOM 9 CA VAL A 2 -8.789 -1.780 -1.484 1.00 0.00 C ATOM 10 C VAL A 2 -7.655 -2.413 -0.719 1.00 0.00 C ATOM 11 O VAL A 2 -7.087 -1.803 0.190 1.00 0.00 O ATOM 12 CB VAL A 2 -8.345 -0.412 -2.084 1.00 0.00 C ATOM 13 CG1 VAL A 2 -7.094 -0.569 -2.945 1.00 0.00 C ATOM 14 CG2 VAL A 2 -9.469 0.185 -2.915 1.00 0.00 C ATOM 0 H VAL A 2 -9.999 -0.790 -0.112 1.00 0.00 H new ATOM 0 HA VAL A 2 -9.067 -2.413 -2.327 1.00 0.00 H new ATOM 0 HB VAL A 2 -8.111 0.258 -1.257 1.00 0.00 H new ATOM 0 HG11 VAL A 2 -6.807 0.401 -3.350 1.00 0.00 H new ATOM 0 HG12 VAL A 2 -6.280 -0.963 -2.336 1.00 0.00 H new ATOM 0 HG13 VAL A 2 -7.300 -1.258 -3.764 1.00 0.00 H new ATOM 0 HG21 VAL A 2 -9.147 1.141 -3.329 1.00 0.00 H new ATOM 0 HG22 VAL A 2 -9.722 -0.496 -3.728 1.00 0.00 H new ATOM 0 HG23 VAL A 2 -10.345 0.339 -2.285 1.00 0.00 H new HETATM 24 N ABA A 3 -7.386 -3.646 -1.051 1.00 0.00 N HETATM 25 CA ABA A 3 -6.309 -4.397 -0.480 1.00 0.00 C HETATM 26 C ABA A 3 -5.252 -4.615 -1.550 1.00 0.00 C HETATM 27 O ABA A 3 -5.487 -5.328 -2.543 1.00 0.00 O HETATM 28 CB ABA A 3 -6.824 -5.739 0.058 1.00 0.00 C HETATM 29 CG ABA A 3 -5.747 -6.624 0.660 1.00 0.00 C HETATM 0 HG3 ABA A 3 -5.275 -6.106 1.495 1.00 0.00 H new HETATM 0 HG2 ABA A 3 -4.997 -6.851 -0.098 1.00 0.00 H new HETATM 0 HG1 ABA A 3 -6.195 -7.552 1.016 1.00 0.00 H new HETATM 0 HB3 ABA A 3 -7.311 -6.280 -0.753 1.00 0.00 H new HETATM 0 HB2 ABA A 3 -7.585 -5.546 0.815 1.00 0.00 H new HETATM 0 HA ABA A 3 -5.873 -3.849 0.356 1.00 0.00 H new ATOM 37 N ARG A 4 -4.131 -3.963 -1.385 1.00 0.00 N ATOM 38 CA ARG A 4 -3.021 -4.061 -2.307 1.00 0.00 C ATOM 39 C ARG A 4 -1.738 -3.742 -1.576 1.00 0.00 C ATOM 40 O ARG A 4 -1.700 -2.827 -0.763 1.00 0.00 O ATOM 41 CB ARG A 4 -3.200 -3.083 -3.483 1.00 0.00 C ATOM 42 CG ARG A 4 -2.048 -3.104 -4.475 1.00 0.00 C ATOM 43 CD ARG A 4 -2.288 -2.172 -5.634 1.00 0.00 C ATOM 44 NE ARG A 4 -1.136 -2.127 -6.548 1.00 0.00 N ATOM 45 CZ ARG A 4 -1.181 -1.683 -7.813 1.00 0.00 C ATOM 46 NH1 ARG A 4 -2.347 -1.340 -8.364 1.00 0.00 N ATOM 47 NH2 ARG A 4 -0.063 -1.615 -8.534 1.00 0.00 N ATOM 0 H ARG A 4 -3.957 -3.339 -0.597 1.00 0.00 H new ATOM 0 HA ARG A 4 -2.983 -5.075 -2.704 1.00 0.00 H new ATOM 0 HB2 ARG A 4 -4.124 -3.325 -4.008 1.00 0.00 H new ATOM 0 HB3 ARG A 4 -3.311 -2.072 -3.090 1.00 0.00 H new ATOM 0 HG2 ARG A 4 -1.126 -2.821 -3.967 1.00 0.00 H new ATOM 0 HG3 ARG A 4 -1.908 -4.119 -4.848 1.00 0.00 H new ATOM 0 HD2 ARG A 4 -3.174 -2.494 -6.182 1.00 0.00 H new ATOM 0 HD3 ARG A 4 -2.493 -1.170 -5.258 1.00 0.00 H new ATOM 0 HE ARG A 4 -0.238 -2.457 -6.194 1.00 0.00 H new ATOM 0 HH11 ARG A 4 -3.208 -1.415 -7.823 1.00 0.00 H new ATOM 0 HH12 ARG A 4 -2.377 -1.003 -9.326 1.00 0.00 H new ATOM 0 HH21 ARG A 4 0.826 -1.900 -8.124 1.00 0.00 H new ATOM 0 HH22 ARG A 4 -0.096 -1.278 -9.496 1.00 0.00 H new ATOM 61 N CYS A 5 -0.710 -4.487 -1.832 1.00 0.00 N ATOM 62 CA CYS A 5 0.550 -4.201 -1.234 1.00 0.00 C ATOM 63 C CYS A 5 1.410 -3.442 -2.208 1.00 0.00 C ATOM 64 O CYS A 5 1.354 -3.668 -3.426 1.00 0.00 O ATOM 65 CB CYS A 5 1.242 -5.452 -0.726 1.00 0.00 C ATOM 66 SG CYS A 5 0.245 -6.452 0.448 1.00 0.00 S ATOM 0 H CYS A 5 -0.721 -5.297 -2.451 1.00 0.00 H new ATOM 0 HA CYS A 5 0.379 -3.577 -0.357 1.00 0.00 H new ATOM 0 HB2 CYS A 5 1.509 -6.076 -1.579 1.00 0.00 H new ATOM 0 HB3 CYS A 5 2.173 -5.164 -0.238 1.00 0.00 H new ATOM 71 N VAL A 6 2.146 -2.514 -1.690 1.00 0.00 N ATOM 72 CA VAL A 6 2.981 -1.648 -2.481 1.00 0.00 C ATOM 73 C VAL A 6 4.374 -1.642 -1.892 1.00 0.00 C ATOM 74 O VAL A 6 4.530 -1.470 -0.686 1.00 0.00 O ATOM 75 CB VAL A 6 2.435 -0.180 -2.468 1.00 0.00 C ATOM 76 CG1 VAL A 6 3.273 0.733 -3.352 1.00 0.00 C ATOM 77 CG2 VAL A 6 0.964 -0.125 -2.877 1.00 0.00 C ATOM 0 H VAL A 6 2.190 -2.327 -0.688 1.00 0.00 H new ATOM 0 HA VAL A 6 2.989 -2.016 -3.507 1.00 0.00 H new ATOM 0 HB VAL A 6 2.511 0.181 -1.442 1.00 0.00 H new ATOM 0 HG11 VAL A 6 2.866 1.744 -3.320 1.00 0.00 H new ATOM 0 HG12 VAL A 6 4.302 0.744 -2.992 1.00 0.00 H new ATOM 0 HG13 VAL A 6 3.252 0.366 -4.378 1.00 0.00 H new ATOM 0 HG21 VAL A 6 0.619 0.909 -2.857 1.00 0.00 H new ATOM 0 HG22 VAL A 6 0.851 -0.525 -3.885 1.00 0.00 H new ATOM 0 HG23 VAL A 6 0.371 -0.719 -2.182 1.00 0.00 H new ATOM 87 N CYS A 7 5.364 -1.855 -2.702 1.00 0.00 N ATOM 88 CA CYS A 7 6.718 -1.756 -2.232 1.00 0.00 C ATOM 89 C CYS A 7 7.309 -0.473 -2.725 1.00 0.00 C ATOM 90 O CYS A 7 7.139 -0.098 -3.895 1.00 0.00 O ATOM 91 CB CYS A 7 7.567 -2.951 -2.631 1.00 0.00 C ATOM 92 SG CYS A 7 6.960 -4.562 -1.987 1.00 0.00 S ATOM 0 H CYS A 7 5.265 -2.098 -3.688 1.00 0.00 H new ATOM 0 HA CYS A 7 6.704 -1.758 -1.142 1.00 0.00 H new ATOM 0 HB2 CYS A 7 7.612 -3.002 -3.719 1.00 0.00 H new ATOM 0 HB3 CYS A 7 8.586 -2.792 -2.277 1.00 0.00 H new ATOM 97 N ARG A 8 7.948 0.222 -1.841 1.00 0.00 N ATOM 98 CA ARG A 8 8.486 1.516 -2.134 1.00 0.00 C ATOM 99 C ARG A 8 9.548 1.855 -1.119 1.00 0.00 C ATOM 100 O ARG A 8 9.375 1.582 0.060 1.00 0.00 O ATOM 101 CB ARG A 8 7.366 2.552 -2.043 1.00 0.00 C ATOM 102 CG ARG A 8 7.752 3.932 -2.518 1.00 0.00 C ATOM 103 CD ARG A 8 6.627 4.917 -2.301 1.00 0.00 C ATOM 104 NE ARG A 8 5.397 4.538 -3.004 1.00 0.00 N ATOM 105 CZ ARG A 8 4.165 4.702 -2.496 1.00 0.00 C ATOM 106 NH1 ARG A 8 4.012 5.176 -1.255 1.00 0.00 N ATOM 107 NH2 ARG A 8 3.088 4.397 -3.220 1.00 0.00 N ATOM 0 H ARG A 8 8.114 -0.093 -0.885 1.00 0.00 H new ATOM 0 HA ARG A 8 8.918 1.517 -3.135 1.00 0.00 H new ATOM 0 HB2 ARG A 8 6.517 2.203 -2.630 1.00 0.00 H new ATOM 0 HB3 ARG A 8 7.032 2.618 -1.008 1.00 0.00 H new ATOM 0 HG2 ARG A 8 8.641 4.268 -1.985 1.00 0.00 H new ATOM 0 HG3 ARG A 8 8.009 3.897 -3.577 1.00 0.00 H new ATOM 0 HD2 ARG A 8 6.420 4.996 -1.234 1.00 0.00 H new ATOM 0 HD3 ARG A 8 6.944 5.904 -2.639 1.00 0.00 H new ATOM 0 HE ARG A 8 5.482 4.126 -3.933 1.00 0.00 H new ATOM 0 HH11 ARG A 8 4.831 5.413 -0.695 1.00 0.00 H new ATOM 0 HH12 ARG A 8 3.076 5.301 -0.869 1.00 0.00 H new ATOM 0 HH21 ARG A 8 3.196 4.036 -4.168 1.00 0.00 H new ATOM 0 HH22 ARG A 8 2.156 4.525 -2.826 1.00 0.00 H new ATOM 121 N ARG A 9 10.667 2.386 -1.588 1.00 0.00 N ATOM 122 CA ARG A 9 11.751 2.894 -0.736 1.00 0.00 C ATOM 123 C ARG A 9 12.374 1.758 0.124 1.00 0.00 C ATOM 124 O ARG A 9 13.026 1.988 1.151 1.00 0.00 O ATOM 125 CB ARG A 9 11.220 4.070 0.115 1.00 0.00 C ATOM 126 CG ARG A 9 12.259 4.890 0.873 1.00 0.00 C ATOM 127 CD ARG A 9 11.591 6.035 1.616 1.00 0.00 C ATOM 128 NE ARG A 9 12.543 6.826 2.405 1.00 0.00 N ATOM 129 CZ ARG A 9 12.244 7.953 3.064 1.00 0.00 C ATOM 130 NH1 ARG A 9 11.043 8.514 2.939 1.00 0.00 N ATOM 131 NH2 ARG A 9 13.164 8.542 3.815 1.00 0.00 N ATOM 0 H ARG A 9 10.858 2.481 -2.585 1.00 0.00 H new ATOM 0 HA ARG A 9 12.562 3.270 -1.360 1.00 0.00 H new ATOM 0 HB2 ARG A 9 10.668 4.743 -0.541 1.00 0.00 H new ATOM 0 HB3 ARG A 9 10.507 3.673 0.837 1.00 0.00 H new ATOM 0 HG2 ARG A 9 12.791 4.252 1.578 1.00 0.00 H new ATOM 0 HG3 ARG A 9 13.000 5.283 0.177 1.00 0.00 H new ATOM 0 HD2 ARG A 9 11.090 6.685 0.899 1.00 0.00 H new ATOM 0 HD3 ARG A 9 10.821 5.635 2.276 1.00 0.00 H new ATOM 0 HE ARG A 9 13.505 6.492 2.455 1.00 0.00 H new ATOM 0 HH11 ARG A 9 10.340 8.085 2.337 1.00 0.00 H new ATOM 0 HH12 ARG A 9 10.826 9.372 3.445 1.00 0.00 H new ATOM 0 HH21 ARG A 9 14.097 8.137 3.890 1.00 0.00 H new ATOM 0 HH22 ARG A 9 12.939 9.400 4.318 1.00 0.00 H new ATOM 145 N GLY A 10 12.171 0.538 -0.317 1.00 0.00 N ATOM 146 CA GLY A 10 12.704 -0.603 0.361 1.00 0.00 C ATOM 147 C GLY A 10 11.724 -1.266 1.301 1.00 0.00 C ATOM 148 O GLY A 10 12.000 -2.340 1.832 1.00 0.00 O ATOM 0 H GLY A 10 11.632 0.317 -1.154 1.00 0.00 H new ATOM 0 HA2 GLY A 10 13.034 -1.332 -0.379 1.00 0.00 H new ATOM 0 HA3 GLY A 10 13.586 -0.300 0.925 1.00 0.00 H new ATOM 152 N VAL A 11 10.572 -0.664 1.500 1.00 0.00 N ATOM 153 CA VAL A 11 9.600 -1.228 2.409 1.00 0.00 C ATOM 154 C VAL A 11 8.362 -1.603 1.648 1.00 0.00 C ATOM 155 O VAL A 11 8.103 -1.065 0.580 1.00 0.00 O ATOM 156 CB VAL A 11 9.239 -0.280 3.604 1.00 0.00 C ATOM 157 CG1 VAL A 11 10.457 -0.004 4.468 1.00 0.00 C ATOM 158 CG2 VAL A 11 8.618 1.033 3.126 1.00 0.00 C ATOM 0 H VAL A 11 10.288 0.206 1.050 1.00 0.00 H new ATOM 0 HA VAL A 11 10.055 -2.114 2.853 1.00 0.00 H new ATOM 0 HB VAL A 11 8.493 -0.799 4.207 1.00 0.00 H new ATOM 0 HG11 VAL A 11 10.178 0.656 5.289 1.00 0.00 H new ATOM 0 HG12 VAL A 11 10.838 -0.943 4.870 1.00 0.00 H new ATOM 0 HG13 VAL A 11 11.230 0.473 3.865 1.00 0.00 H new ATOM 0 HG21 VAL A 11 8.384 1.659 3.987 1.00 0.00 H new ATOM 0 HG22 VAL A 11 9.323 1.555 2.479 1.00 0.00 H new ATOM 0 HG23 VAL A 11 7.704 0.822 2.571 1.00 0.00 H new ATOM 168 N CYS A 12 7.632 -2.532 2.150 1.00 0.00 N ATOM 169 CA CYS A 12 6.427 -2.933 1.516 1.00 0.00 C ATOM 170 C CYS A 12 5.277 -2.691 2.458 1.00 0.00 C ATOM 171 O CYS A 12 5.252 -3.207 3.577 1.00 0.00 O ATOM 172 CB CYS A 12 6.498 -4.391 1.052 1.00 0.00 C ATOM 173 SG CYS A 12 7.845 -4.745 -0.157 1.00 0.00 S ATOM 0 H CYS A 12 7.851 -3.035 3.010 1.00 0.00 H new ATOM 0 HA CYS A 12 6.273 -2.338 0.616 1.00 0.00 H new ATOM 0 HB2 CYS A 12 6.633 -5.030 1.924 1.00 0.00 H new ATOM 0 HB3 CYS A 12 5.543 -4.663 0.602 1.00 0.00 H new ATOM 178 N ARG A 13 4.366 -1.884 2.026 1.00 0.00 N ATOM 179 CA ARG A 13 3.244 -1.492 2.818 1.00 0.00 C ATOM 180 C ARG A 13 1.999 -2.108 2.229 1.00 0.00 C ATOM 181 O ARG A 13 1.739 -1.965 1.029 1.00 0.00 O ATOM 182 CB ARG A 13 3.134 0.039 2.787 1.00 0.00 C ATOM 183 CG ARG A 13 2.066 0.644 3.700 1.00 0.00 C ATOM 184 CD ARG A 13 2.363 0.346 5.158 1.00 0.00 C ATOM 185 NE ARG A 13 3.702 0.800 5.545 1.00 0.00 N ATOM 186 CZ ARG A 13 4.528 0.148 6.374 1.00 0.00 C ATOM 187 NH1 ARG A 13 4.134 -0.983 6.966 1.00 0.00 N ATOM 188 NH2 ARG A 13 5.736 0.642 6.620 1.00 0.00 N ATOM 0 H ARG A 13 4.379 -1.469 1.094 1.00 0.00 H new ATOM 0 HA ARG A 13 3.363 -1.828 3.848 1.00 0.00 H new ATOM 0 HB2 ARG A 13 4.101 0.460 3.061 1.00 0.00 H new ATOM 0 HB3 ARG A 13 2.929 0.350 1.763 1.00 0.00 H new ATOM 0 HG2 ARG A 13 2.021 1.722 3.548 1.00 0.00 H new ATOM 0 HG3 ARG A 13 1.087 0.244 3.436 1.00 0.00 H new ATOM 0 HD2 ARG A 13 1.618 0.833 5.787 1.00 0.00 H new ATOM 0 HD3 ARG A 13 2.278 -0.726 5.334 1.00 0.00 H new ATOM 0 HE ARG A 13 4.031 1.682 5.152 1.00 0.00 H new ATOM 0 HH11 ARG A 13 3.201 -1.354 6.788 1.00 0.00 H new ATOM 0 HH12 ARG A 13 4.767 -1.476 7.596 1.00 0.00 H new ATOM 0 HH21 ARG A 13 6.030 1.513 6.179 1.00 0.00 H new ATOM 0 HH22 ARG A 13 6.369 0.150 7.250 1.00 0.00 H new ATOM 202 N CYS A 14 1.262 -2.826 3.021 1.00 0.00 N ATOM 203 CA CYS A 14 0.030 -3.364 2.536 1.00 0.00 C ATOM 204 C CYS A 14 -1.121 -2.464 2.852 1.00 0.00 C ATOM 205 O CYS A 14 -1.471 -2.248 4.015 1.00 0.00 O ATOM 206 CB CYS A 14 -0.218 -4.793 2.968 1.00 0.00 C ATOM 207 SG CYS A 14 0.993 -5.992 2.290 1.00 0.00 S ATOM 0 H CYS A 14 1.488 -3.050 3.990 1.00 0.00 H new ATOM 0 HA CYS A 14 0.123 -3.408 1.451 1.00 0.00 H new ATOM 0 HB2 CYS A 14 -0.194 -4.843 4.057 1.00 0.00 H new ATOM 0 HB3 CYS A 14 -1.220 -5.088 2.657 1.00 0.00 H new ATOM 212 N VAL A 15 -1.698 -1.936 1.818 1.00 0.00 N ATOM 213 CA VAL A 15 -2.776 -1.001 1.920 1.00 0.00 C ATOM 214 C VAL A 15 -4.084 -1.760 1.958 1.00 0.00 C ATOM 215 O VAL A 15 -4.362 -2.558 1.065 1.00 0.00 O ATOM 216 CB VAL A 15 -2.775 0.008 0.730 1.00 0.00 C ATOM 217 CG1 VAL A 15 -3.922 1.006 0.848 1.00 0.00 C ATOM 218 CG2 VAL A 15 -1.440 0.740 0.645 1.00 0.00 C ATOM 0 H VAL A 15 -1.427 -2.147 0.858 1.00 0.00 H new ATOM 0 HA VAL A 15 -2.651 -0.425 2.837 1.00 0.00 H new ATOM 0 HB VAL A 15 -2.919 -0.563 -0.188 1.00 0.00 H new ATOM 0 HG11 VAL A 15 -3.893 1.695 0.004 1.00 0.00 H new ATOM 0 HG12 VAL A 15 -4.872 0.471 0.847 1.00 0.00 H new ATOM 0 HG13 VAL A 15 -3.822 1.567 1.777 1.00 0.00 H new ATOM 0 HG21 VAL A 15 -1.461 1.439 -0.191 1.00 0.00 H new ATOM 0 HG22 VAL A 15 -1.266 1.288 1.571 1.00 0.00 H new ATOM 0 HG23 VAL A 15 -0.638 0.018 0.494 1.00 0.00 H new HETATM 228 N ABA A 16 -4.826 -1.564 3.021 1.00 0.00 N HETATM 229 CA ABA A 16 -6.129 -2.176 3.196 1.00 0.00 C HETATM 230 C ABA A 16 -7.084 -1.084 3.617 1.00 0.00 C HETATM 231 O ABA A 16 -7.340 -0.890 4.814 1.00 0.00 O HETATM 232 CB ABA A 16 -6.079 -3.263 4.288 1.00 0.00 C HETATM 233 CG ABA A 16 -5.137 -4.412 4.000 1.00 0.00 C HETATM 0 HG3 ABA A 16 -4.122 -4.031 3.891 1.00 0.00 H new HETATM 0 HG2 ABA A 16 -5.440 -4.908 3.078 1.00 0.00 H new HETATM 0 HG1 ABA A 16 -5.170 -5.125 4.824 1.00 0.00 H new HETATM 0 HB3 ABA A 16 -7.083 -3.662 4.429 1.00 0.00 H new HETATM 0 HB2 ABA A 16 -5.785 -2.799 5.229 1.00 0.00 H new HETATM 0 HA ABA A 16 -6.449 -2.648 2.267 1.00 0.00 H new ATOM 241 N ARG A 17 -7.591 -0.344 2.658 1.00 0.00 N ATOM 242 CA ARG A 17 -8.433 0.801 2.958 1.00 0.00 C ATOM 243 C ARG A 17 -9.613 0.883 2.005 1.00 0.00 C ATOM 244 O ARG A 17 -9.439 0.875 0.775 1.00 0.00 O ATOM 245 CB ARG A 17 -7.613 2.112 2.914 1.00 0.00 C ATOM 246 CG ARG A 17 -6.457 2.151 3.911 1.00 0.00 C ATOM 247 CD ARG A 17 -5.598 3.392 3.765 1.00 0.00 C ATOM 248 NE ARG A 17 -6.276 4.636 4.168 1.00 0.00 N ATOM 249 CZ ARG A 17 -5.677 5.844 4.191 1.00 0.00 C ATOM 250 NH1 ARG A 17 -4.425 5.969 3.785 1.00 0.00 N ATOM 251 NH2 ARG A 17 -6.330 6.915 4.601 1.00 0.00 N ATOM 0 H ARG A 17 -7.438 -0.510 1.663 1.00 0.00 H new ATOM 0 HA ARG A 17 -8.823 0.669 3.967 1.00 0.00 H new ATOM 0 HB2 ARG A 17 -7.217 2.248 1.908 1.00 0.00 H new ATOM 0 HB3 ARG A 17 -8.279 2.952 3.111 1.00 0.00 H new ATOM 0 HG2 ARG A 17 -6.856 2.108 4.925 1.00 0.00 H new ATOM 0 HG3 ARG A 17 -5.835 1.266 3.775 1.00 0.00 H new ATOM 0 HD2 ARG A 17 -4.696 3.270 4.365 1.00 0.00 H new ATOM 0 HD3 ARG A 17 -5.281 3.482 2.726 1.00 0.00 H new ATOM 0 HE ARG A 17 -7.256 4.581 4.446 1.00 0.00 H new ATOM 0 HH11 ARG A 17 -3.912 5.152 3.454 1.00 0.00 H new ATOM 0 HH12 ARG A 17 -3.972 6.883 3.802 1.00 0.00 H new ATOM 0 HH21 ARG A 17 -7.300 6.835 4.906 1.00 0.00 H new ATOM 0 HH22 ARG A 17 -5.865 7.823 4.613 1.00 0.00 H new ATOM 265 N ARG A 18 -10.807 0.913 2.585 1.00 0.00 N ATOM 266 CA ARG A 18 -12.079 1.036 1.867 1.00 0.00 C ATOM 267 C ARG A 18 -12.228 -0.080 0.815 1.00 0.00 C ATOM 268 O ARG A 18 -12.599 0.152 -0.346 1.00 0.00 O ATOM 269 CB ARG A 18 -12.213 2.427 1.243 1.00 0.00 C ATOM 270 CG ARG A 18 -13.606 2.765 0.713 1.00 0.00 C ATOM 271 CD ARG A 18 -13.624 4.122 0.032 1.00 0.00 C ATOM 272 NE ARG A 18 -13.245 5.215 0.943 1.00 0.00 N ATOM 273 CZ ARG A 18 -12.327 6.161 0.675 1.00 0.00 C ATOM 274 NH1 ARG A 18 -11.602 6.099 -0.442 1.00 0.00 N ATOM 275 NH2 ARG A 18 -12.124 7.156 1.534 1.00 0.00 N ATOM 0 H ARG A 18 -10.925 0.851 3.596 1.00 0.00 H new ATOM 0 HA ARG A 18 -12.893 0.916 2.582 1.00 0.00 H new ATOM 0 HB2 ARG A 18 -11.934 3.172 1.988 1.00 0.00 H new ATOM 0 HB3 ARG A 18 -11.499 2.512 0.424 1.00 0.00 H new ATOM 0 HG2 ARG A 18 -13.925 1.998 0.008 1.00 0.00 H new ATOM 0 HG3 ARG A 18 -14.321 2.759 1.535 1.00 0.00 H new ATOM 0 HD2 ARG A 18 -12.941 4.108 -0.817 1.00 0.00 H new ATOM 0 HD3 ARG A 18 -14.621 4.313 -0.364 1.00 0.00 H new ATOM 0 HE ARG A 18 -13.715 5.258 1.847 1.00 0.00 H new ATOM 0 HH11 ARG A 18 -11.742 5.331 -1.099 1.00 0.00 H new ATOM 0 HH12 ARG A 18 -10.907 6.819 -0.640 1.00 0.00 H new ATOM 0 HH21 ARG A 18 -12.665 7.203 2.398 1.00 0.00 H new ATOM 0 HH22 ARG A 18 -11.427 7.872 1.329 1.00 0.00 H new TER 289 ARG A 18