USER MOD reduce.3.24.130724 H: found=0, std=0, add=137, rem=0, adj=1 USER MOD reduce.3.24.130724 removed 137 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= -0.645 (180deg=-0.645) USER MOD Single : A 17 THR OG1 : rot 180:sc= 0 USER MOD ----------------------------------------------------------------- ATOM 1 N GLY A 1 -11.539 0.021 2.163 1.00 0.00 N ATOM 2 CA GLY A 1 -11.804 -1.206 2.862 1.00 0.00 C ATOM 3 C GLY A 1 -11.374 -2.427 2.063 1.00 0.00 C ATOM 4 O GLY A 1 -11.451 -3.552 2.548 1.00 0.00 O ATOM 0 H2 GLY A 1 -11.848 0.826 2.745 1.00 0.00 H new ATOM 0 HA2 GLY A 1 -11.281 -1.197 3.819 1.00 0.00 H new ATOM 0 HA3 GLY A 1 -12.869 -1.274 3.081 1.00 0.00 H new ATOM 8 N ASP A 2 -10.889 -2.207 0.855 1.00 0.00 N ATOM 9 CA ASP A 2 -10.478 -3.298 -0.028 1.00 0.00 C ATOM 10 C ASP A 2 -8.974 -3.282 -0.181 1.00 0.00 C ATOM 11 O ASP A 2 -8.363 -2.212 -0.228 1.00 0.00 O ATOM 12 CB ASP A 2 -11.160 -3.175 -1.392 1.00 0.00 C ATOM 13 CG ASP A 2 -10.684 -4.213 -2.375 1.00 0.00 C ATOM 14 OD1 ASP A 2 -10.917 -5.420 -2.155 1.00 0.00 O ATOM 15 OD2 ASP A 2 -10.089 -3.847 -3.395 1.00 0.00 O ATOM 0 H ASP A 2 -10.767 -1.277 0.455 1.00 0.00 H new ATOM 0 HA ASP A 2 -10.782 -4.247 0.413 1.00 0.00 H new ATOM 0 HB2 ASP A 2 -12.238 -3.269 -1.264 1.00 0.00 H new ATOM 0 HB3 ASP A 2 -10.972 -2.182 -1.799 1.00 0.00 H new ATOM 20 N CYS A 3 -8.363 -4.431 -0.234 1.00 0.00 N ATOM 21 CA CYS A 3 -6.938 -4.467 -0.264 1.00 0.00 C ATOM 22 C CYS A 3 -6.367 -4.545 -1.652 1.00 0.00 C ATOM 23 O CYS A 3 -6.767 -5.366 -2.489 1.00 0.00 O ATOM 24 CB CYS A 3 -6.389 -5.516 0.661 1.00 0.00 C ATOM 25 SG CYS A 3 -7.091 -5.411 2.365 1.00 0.00 S ATOM 0 H CYS A 3 -8.825 -5.340 -0.257 1.00 0.00 H new ATOM 0 HA CYS A 3 -6.600 -3.503 0.117 1.00 0.00 H new ATOM 0 HB2 CYS A 3 -6.598 -6.503 0.248 1.00 0.00 H new ATOM 0 HB3 CYS A 3 -5.305 -5.415 0.713 1.00 0.00 H new ATOM 30 N ARG A 4 -5.423 -3.694 -1.860 1.00 0.00 N ATOM 31 CA ARG A 4 -4.734 -3.493 -3.118 1.00 0.00 C ATOM 32 C ARG A 4 -3.255 -3.383 -2.790 1.00 0.00 C ATOM 33 O ARG A 4 -2.883 -2.723 -1.813 1.00 0.00 O ATOM 34 CB ARG A 4 -5.236 -2.186 -3.755 1.00 0.00 C ATOM 35 CG ARG A 4 -4.663 -1.820 -5.136 1.00 0.00 C ATOM 36 CD ARG A 4 -5.089 -2.793 -6.246 1.00 0.00 C ATOM 37 NE ARG A 4 -4.366 -4.079 -6.225 1.00 0.00 N ATOM 38 CZ ARG A 4 -4.941 -5.298 -6.158 1.00 0.00 C ATOM 39 NH1 ARG A 4 -6.231 -5.421 -5.918 1.00 0.00 N ATOM 40 NH2 ARG A 4 -4.206 -6.385 -6.310 1.00 0.00 N ATOM 0 H ARG A 4 -5.081 -3.077 -1.123 1.00 0.00 H new ATOM 0 HA ARG A 4 -4.913 -4.310 -3.817 1.00 0.00 H new ATOM 0 HB2 ARG A 4 -6.321 -2.246 -3.843 1.00 0.00 H new ATOM 0 HB3 ARG A 4 -5.017 -1.368 -3.069 1.00 0.00 H new ATOM 0 HG2 ARG A 4 -4.986 -0.813 -5.401 1.00 0.00 H new ATOM 0 HG3 ARG A 4 -3.575 -1.800 -5.077 1.00 0.00 H new ATOM 0 HD2 ARG A 4 -6.158 -2.987 -6.155 1.00 0.00 H new ATOM 0 HD3 ARG A 4 -4.933 -2.316 -7.213 1.00 0.00 H new ATOM 0 HE ARG A 4 -3.347 -4.044 -6.264 1.00 0.00 H new ATOM 0 HH11 ARG A 4 -6.806 -4.590 -5.781 1.00 0.00 H new ATOM 0 HH12 ARG A 4 -6.655 -6.348 -5.870 1.00 0.00 H new ATOM 0 HH21 ARG A 4 -3.203 -6.303 -6.478 1.00 0.00 H new ATOM 0 HH22 ARG A 4 -4.641 -7.306 -6.259 1.00 0.00 H new ATOM 54 N CYS A 5 -2.418 -4.012 -3.538 1.00 0.00 N ATOM 55 CA CYS A 5 -1.034 -3.996 -3.179 1.00 0.00 C ATOM 56 C CYS A 5 -0.278 -2.868 -3.859 1.00 0.00 C ATOM 57 O CYS A 5 -0.533 -2.525 -5.012 1.00 0.00 O ATOM 58 CB CYS A 5 -0.392 -5.363 -3.367 1.00 0.00 C ATOM 59 SG CYS A 5 -1.356 -6.742 -2.609 1.00 0.00 S ATOM 0 H CYS A 5 -2.653 -4.533 -4.383 1.00 0.00 H new ATOM 0 HA CYS A 5 -0.971 -3.780 -2.112 1.00 0.00 H new ATOM 0 HB2 CYS A 5 -0.274 -5.556 -4.433 1.00 0.00 H new ATOM 0 HB3 CYS A 5 0.608 -5.348 -2.933 1.00 0.00 H new ATOM 64 N LEU A 6 0.617 -2.285 -3.114 1.00 0.00 N ATOM 65 CA LEU A 6 1.392 -1.125 -3.510 1.00 0.00 C ATOM 66 C LEU A 6 2.798 -1.360 -3.017 1.00 0.00 C ATOM 67 O LEU A 6 3.017 -2.270 -2.225 1.00 0.00 O ATOM 68 CB LEU A 6 0.806 0.123 -2.833 1.00 0.00 C ATOM 69 CG LEU A 6 -0.647 0.475 -3.194 1.00 0.00 C ATOM 70 CD1 LEU A 6 -1.158 1.579 -2.299 1.00 0.00 C ATOM 71 CD2 LEU A 6 -0.754 0.895 -4.656 1.00 0.00 C ATOM 0 H LEU A 6 0.842 -2.612 -2.174 1.00 0.00 H new ATOM 0 HA LEU A 6 1.375 -0.976 -4.590 1.00 0.00 H new ATOM 0 HB2 LEU A 6 0.867 -0.013 -1.753 1.00 0.00 H new ATOM 0 HB3 LEU A 6 1.437 0.976 -3.083 1.00 0.00 H new ATOM 0 HG LEU A 6 -1.260 -0.414 -3.044 1.00 0.00 H new ATOM 0 HD11 LEU A 6 -2.187 1.817 -2.567 1.00 0.00 H new ATOM 0 HD12 LEU A 6 -1.119 1.252 -1.260 1.00 0.00 H new ATOM 0 HD13 LEU A 6 -0.536 2.466 -2.424 1.00 0.00 H new ATOM 0 HD21 LEU A 6 -1.790 1.139 -4.889 1.00 0.00 H new ATOM 0 HD22 LEU A 6 -0.127 1.769 -4.830 1.00 0.00 H new ATOM 0 HD23 LEU A 6 -0.421 0.077 -5.295 1.00 0.00 H new ATOM 83 N CYS A 7 3.752 -0.593 -3.442 1.00 0.00 N ATOM 84 CA CYS A 7 5.091 -0.886 -3.014 1.00 0.00 C ATOM 85 C CYS A 7 5.748 0.321 -2.345 1.00 0.00 C ATOM 86 O CYS A 7 5.329 1.468 -2.538 1.00 0.00 O ATOM 87 CB CYS A 7 5.926 -1.485 -4.171 1.00 0.00 C ATOM 88 SG CYS A 7 5.024 -2.791 -5.145 1.00 0.00 S ATOM 0 H CYS A 7 3.643 0.211 -4.060 1.00 0.00 H new ATOM 0 HA CYS A 7 5.044 -1.655 -2.243 1.00 0.00 H new ATOM 0 HB2 CYS A 7 6.225 -0.682 -4.845 1.00 0.00 H new ATOM 0 HB3 CYS A 7 6.841 -1.915 -3.763 1.00 0.00 H new ATOM 93 N ARG A 8 6.720 0.041 -1.506 1.00 0.00 N ATOM 94 CA ARG A 8 7.442 1.033 -0.746 1.00 0.00 C ATOM 95 C ARG A 8 8.851 0.513 -0.527 1.00 0.00 C ATOM 96 O ARG A 8 9.023 -0.606 -0.041 1.00 0.00 O ATOM 97 CB ARG A 8 6.730 1.281 0.595 1.00 0.00 C ATOM 98 CG ARG A 8 7.449 2.247 1.530 1.00 0.00 C ATOM 99 CD ARG A 8 6.621 2.537 2.774 1.00 0.00 C ATOM 100 NE ARG A 8 6.185 1.310 3.463 1.00 0.00 N ATOM 101 CZ ARG A 8 6.109 1.156 4.794 1.00 0.00 C ATOM 102 NH1 ARG A 8 6.541 2.114 5.612 1.00 0.00 N ATOM 103 NH2 ARG A 8 5.582 0.050 5.307 1.00 0.00 N ATOM 0 H ARG A 8 7.038 -0.912 -1.329 1.00 0.00 H new ATOM 0 HA ARG A 8 7.480 1.982 -1.281 1.00 0.00 H new ATOM 0 HB2 ARG A 8 5.731 1.667 0.394 1.00 0.00 H new ATOM 0 HB3 ARG A 8 6.606 0.327 1.107 1.00 0.00 H new ATOM 0 HG2 ARG A 8 8.411 1.825 1.822 1.00 0.00 H new ATOM 0 HG3 ARG A 8 7.656 3.179 1.004 1.00 0.00 H new ATOM 0 HD2 ARG A 8 7.207 3.147 3.462 1.00 0.00 H new ATOM 0 HD3 ARG A 8 5.745 3.123 2.495 1.00 0.00 H new ATOM 0 HE ARG A 8 5.920 0.514 2.882 1.00 0.00 H new ATOM 0 HH11 ARG A 8 6.934 2.974 5.228 1.00 0.00 H new ATOM 0 HH12 ARG A 8 6.479 1.988 6.622 1.00 0.00 H new ATOM 0 HH21 ARG A 8 5.235 -0.683 4.689 1.00 0.00 H new ATOM 0 HH22 ARG A 8 5.525 -0.066 6.319 1.00 0.00 H new ATOM 117 N ARG A 9 9.850 1.292 -0.954 1.00 0.00 N ATOM 118 CA ARG A 9 11.281 0.914 -0.888 1.00 0.00 C ATOM 119 C ARG A 9 11.527 -0.274 -1.847 1.00 0.00 C ATOM 120 O ARG A 9 12.476 -1.050 -1.722 1.00 0.00 O ATOM 121 CB ARG A 9 11.718 0.600 0.584 1.00 0.00 C ATOM 122 CG ARG A 9 13.200 0.284 0.767 1.00 0.00 C ATOM 123 CD ARG A 9 13.548 -0.004 2.210 1.00 0.00 C ATOM 124 NE ARG A 9 14.931 -0.462 2.335 1.00 0.00 N ATOM 125 CZ ARG A 9 15.577 -0.733 3.474 1.00 0.00 C ATOM 126 NH1 ARG A 9 15.018 -0.472 4.646 1.00 0.00 N ATOM 127 NH2 ARG A 9 16.793 -1.253 3.424 1.00 0.00 N ATOM 0 H ARG A 9 9.695 2.214 -1.361 1.00 0.00 H new ATOM 0 HA ARG A 9 11.900 1.751 -1.210 1.00 0.00 H new ATOM 0 HB2 ARG A 9 11.465 1.454 1.212 1.00 0.00 H new ATOM 0 HB3 ARG A 9 11.135 -0.246 0.947 1.00 0.00 H new ATOM 0 HG2 ARG A 9 13.465 -0.576 0.152 1.00 0.00 H new ATOM 0 HG3 ARG A 9 13.796 1.125 0.412 1.00 0.00 H new ATOM 0 HD2 ARG A 9 13.404 0.895 2.809 1.00 0.00 H new ATOM 0 HD3 ARG A 9 12.873 -0.763 2.606 1.00 0.00 H new ATOM 0 HE ARG A 9 15.454 -0.587 1.468 1.00 0.00 H new ATOM 0 HH11 ARG A 9 14.086 -0.060 4.686 1.00 0.00 H new ATOM 0 HH12 ARG A 9 15.520 -0.683 5.509 1.00 0.00 H new ATOM 0 HH21 ARG A 9 17.229 -1.444 2.522 1.00 0.00 H new ATOM 0 HH22 ARG A 9 17.294 -1.463 4.287 1.00 0.00 H new ATOM 141 N GLY A 10 10.631 -0.407 -2.806 1.00 0.00 N ATOM 142 CA GLY A 10 10.685 -1.493 -3.754 1.00 0.00 C ATOM 143 C GLY A 10 10.050 -2.754 -3.200 1.00 0.00 C ATOM 144 O GLY A 10 9.881 -3.738 -3.907 1.00 0.00 O ATOM 0 H GLY A 10 9.850 0.234 -2.946 1.00 0.00 H new ATOM 0 HA2 GLY A 10 10.174 -1.201 -4.671 1.00 0.00 H new ATOM 0 HA3 GLY A 10 11.723 -1.694 -4.018 1.00 0.00 H new ATOM 148 N VAL A 11 9.664 -2.707 -1.944 1.00 0.00 N ATOM 149 CA VAL A 11 9.084 -3.840 -1.283 1.00 0.00 C ATOM 150 C VAL A 11 7.592 -3.691 -1.371 1.00 0.00 C ATOM 151 O VAL A 11 7.045 -2.644 -1.015 1.00 0.00 O ATOM 152 CB VAL A 11 9.521 -3.925 0.208 1.00 0.00 C ATOM 153 CG1 VAL A 11 8.995 -5.199 0.862 1.00 0.00 C ATOM 154 CG2 VAL A 11 11.039 -3.843 0.331 1.00 0.00 C ATOM 0 H VAL A 11 9.747 -1.877 -1.357 1.00 0.00 H new ATOM 0 HA VAL A 11 9.423 -4.757 -1.765 1.00 0.00 H new ATOM 0 HB VAL A 11 9.088 -3.074 0.734 1.00 0.00 H new ATOM 0 HG11 VAL A 11 9.315 -5.232 1.903 1.00 0.00 H new ATOM 0 HG12 VAL A 11 7.906 -5.208 0.817 1.00 0.00 H new ATOM 0 HG13 VAL A 11 9.387 -6.068 0.334 1.00 0.00 H new ATOM 0 HG21 VAL A 11 11.323 -3.904 1.382 1.00 0.00 H new ATOM 0 HG22 VAL A 11 11.494 -4.669 -0.216 1.00 0.00 H new ATOM 0 HG23 VAL A 11 11.387 -2.897 -0.084 1.00 0.00 H new ATOM 164 N CYS A 12 6.944 -4.680 -1.853 1.00 0.00 N ATOM 165 CA CYS A 12 5.549 -4.598 -2.061 1.00 0.00 C ATOM 166 C CYS A 12 4.774 -5.066 -0.862 1.00 0.00 C ATOM 167 O CYS A 12 5.073 -6.094 -0.267 1.00 0.00 O ATOM 168 CB CYS A 12 5.158 -5.288 -3.349 1.00 0.00 C ATOM 169 SG CYS A 12 5.999 -4.559 -4.811 1.00 0.00 S ATOM 0 H CYS A 12 7.364 -5.571 -2.116 1.00 0.00 H new ATOM 0 HA CYS A 12 5.278 -3.549 -2.180 1.00 0.00 H new ATOM 0 HB2 CYS A 12 5.405 -6.347 -3.281 1.00 0.00 H new ATOM 0 HB3 CYS A 12 4.078 -5.220 -3.482 1.00 0.00 H new ATOM 174 N ARG A 13 3.810 -4.277 -0.500 1.00 0.00 N ATOM 175 CA ARG A 13 2.970 -4.489 0.644 1.00 0.00 C ATOM 176 C ARG A 13 1.542 -4.379 0.227 1.00 0.00 C ATOM 177 O ARG A 13 1.236 -3.793 -0.811 1.00 0.00 O ATOM 178 CB ARG A 13 3.264 -3.439 1.707 1.00 0.00 C ATOM 179 CG ARG A 13 4.445 -3.748 2.601 1.00 0.00 C ATOM 180 CD ARG A 13 4.133 -4.951 3.460 1.00 0.00 C ATOM 181 NE ARG A 13 5.058 -5.102 4.568 1.00 0.00 N ATOM 182 CZ ARG A 13 4.734 -5.643 5.742 1.00 0.00 C ATOM 183 NH1 ARG A 13 3.518 -6.167 5.926 1.00 0.00 N ATOM 184 NH2 ARG A 13 5.619 -5.669 6.726 1.00 0.00 N ATOM 0 H ARG A 13 3.575 -3.429 -1.015 1.00 0.00 H new ATOM 0 HA ARG A 13 3.164 -5.479 1.056 1.00 0.00 H new ATOM 0 HB2 ARG A 13 3.441 -2.484 1.213 1.00 0.00 H new ATOM 0 HB3 ARG A 13 2.378 -3.316 2.330 1.00 0.00 H new ATOM 0 HG2 ARG A 13 5.331 -3.941 1.996 1.00 0.00 H new ATOM 0 HG3 ARG A 13 4.671 -2.888 3.231 1.00 0.00 H new ATOM 0 HD2 ARG A 13 3.118 -4.862 3.848 1.00 0.00 H new ATOM 0 HD3 ARG A 13 4.161 -5.850 2.844 1.00 0.00 H new ATOM 0 HE ARG A 13 6.015 -4.774 4.440 1.00 0.00 H new ATOM 0 HH11 ARG A 13 2.837 -6.153 5.167 1.00 0.00 H new ATOM 0 HH12 ARG A 13 3.272 -6.581 6.825 1.00 0.00 H new ATOM 0 HH21 ARG A 13 6.549 -5.275 6.586 1.00 0.00 H new ATOM 0 HH22 ARG A 13 5.371 -6.083 7.624 1.00 0.00 H new ATOM 198 N CYS A 14 0.665 -4.914 0.994 1.00 0.00 N ATOM 199 CA CYS A 14 -0.694 -4.826 0.636 1.00 0.00 C ATOM 200 C CYS A 14 -1.440 -3.873 1.540 1.00 0.00 C ATOM 201 O CYS A 14 -1.537 -4.060 2.760 1.00 0.00 O ATOM 202 CB CYS A 14 -1.321 -6.201 0.448 1.00 0.00 C ATOM 203 SG CYS A 14 -0.432 -7.191 -0.840 1.00 0.00 S ATOM 0 H CYS A 14 0.863 -5.411 1.862 1.00 0.00 H new ATOM 0 HA CYS A 14 -0.775 -4.373 -0.352 1.00 0.00 H new ATOM 0 HB2 CYS A 14 -1.306 -6.740 1.395 1.00 0.00 H new ATOM 0 HB3 CYS A 14 -2.367 -6.088 0.162 1.00 0.00 H new ATOM 208 N ILE A 15 -1.915 -2.817 0.933 1.00 0.00 N ATOM 209 CA ILE A 15 -2.543 -1.722 1.620 1.00 0.00 C ATOM 210 C ILE A 15 -4.031 -1.845 1.395 1.00 0.00 C ATOM 211 O ILE A 15 -4.460 -2.448 0.417 1.00 0.00 O ATOM 212 CB ILE A 15 -2.017 -0.360 1.036 1.00 0.00 C ATOM 213 CG1 ILE A 15 -0.471 -0.290 1.098 1.00 0.00 C ATOM 214 CG2 ILE A 15 -2.632 0.849 1.742 1.00 0.00 C ATOM 215 CD1 ILE A 15 0.118 -0.404 2.495 1.00 0.00 C ATOM 0 H ILE A 15 -1.874 -2.693 -0.079 1.00 0.00 H new ATOM 0 HA ILE A 15 -2.315 -1.746 2.686 1.00 0.00 H new ATOM 0 HB ILE A 15 -2.330 -0.324 -0.008 1.00 0.00 H new ATOM 0 HG12 ILE A 15 -0.060 -1.088 0.480 1.00 0.00 H new ATOM 0 HG13 ILE A 15 -0.146 0.653 0.658 1.00 0.00 H new ATOM 0 HG21 ILE A 15 -2.238 1.766 1.304 1.00 0.00 H new ATOM 0 HG22 ILE A 15 -3.715 0.827 1.624 1.00 0.00 H new ATOM 0 HG23 ILE A 15 -2.382 0.817 2.802 1.00 0.00 H new ATOM 0 HD11 ILE A 15 1.205 -0.344 2.438 1.00 0.00 H new ATOM 0 HD12 ILE A 15 -0.258 0.409 3.116 1.00 0.00 H new ATOM 0 HD13 ILE A 15 -0.170 -1.359 2.935 1.00 0.00 H new ATOM 227 N CYS A 16 -4.823 -1.346 2.274 1.00 0.00 N ATOM 228 CA CYS A 16 -6.224 -1.467 2.083 1.00 0.00 C ATOM 229 C CYS A 16 -6.858 -0.093 1.994 1.00 0.00 C ATOM 230 O CYS A 16 -6.669 0.760 2.871 1.00 0.00 O ATOM 231 CB CYS A 16 -6.848 -2.388 3.147 1.00 0.00 C ATOM 232 SG CYS A 16 -5.963 -4.010 3.336 1.00 0.00 S ATOM 0 H CYS A 16 -4.532 -0.857 3.121 1.00 0.00 H new ATOM 0 HA CYS A 16 -6.427 -1.956 1.130 1.00 0.00 H new ATOM 0 HB2 CYS A 16 -6.851 -1.871 4.107 1.00 0.00 H new ATOM 0 HB3 CYS A 16 -7.889 -2.580 2.885 1.00 0.00 H new ATOM 237 N THR A 17 -7.552 0.138 0.912 1.00 0.00 N ATOM 238 CA THR A 17 -8.168 1.383 0.655 1.00 0.00 C ATOM 239 C THR A 17 -9.603 1.150 0.309 1.00 0.00 C ATOM 240 O THR A 17 -9.941 0.187 -0.379 1.00 0.00 O ATOM 241 CB THR A 17 -7.436 2.198 -0.442 1.00 0.00 C ATOM 242 OG1 THR A 17 -8.100 3.453 -0.676 1.00 0.00 O ATOM 243 CG2 THR A 17 -7.282 1.426 -1.749 1.00 0.00 C ATOM 0 H THR A 17 -7.699 -0.556 0.179 1.00 0.00 H new ATOM 0 HA THR A 17 -8.106 1.992 1.557 1.00 0.00 H new ATOM 0 HB THR A 17 -6.431 2.391 -0.066 1.00 0.00 H new ATOM 0 HG1 THR A 17 -7.621 3.952 -1.370 1.00 0.00 H new ATOM 0 HG21 THR A 17 -6.763 2.047 -2.479 1.00 0.00 H new ATOM 0 HG22 THR A 17 -6.706 0.518 -1.570 1.00 0.00 H new ATOM 0 HG23 THR A 17 -8.267 1.161 -2.133 1.00 0.00 H new ATOM 251 N ARG A 18 -10.442 1.974 0.894 1.00 0.00 N ATOM 252 CA ARG A 18 -11.920 1.913 0.781 1.00 0.00 C ATOM 253 C ARG A 18 -12.439 0.656 1.499 1.00 0.00 C ATOM 254 O ARG A 18 -13.612 0.308 1.453 1.00 0.00 O ATOM 255 CB ARG A 18 -12.354 1.910 -0.680 1.00 0.00 C ATOM 256 CG ARG A 18 -13.826 2.220 -0.920 1.00 0.00 C ATOM 257 CD ARG A 18 -14.242 1.799 -2.313 1.00 0.00 C ATOM 258 NE ARG A 18 -14.134 0.342 -2.454 1.00 0.00 N ATOM 259 CZ ARG A 18 -13.780 -0.319 -3.561 1.00 0.00 C ATOM 260 NH1 ARG A 18 -13.659 0.313 -4.722 1.00 0.00 N ATOM 261 NH2 ARG A 18 -13.591 -1.630 -3.501 1.00 0.00 N ATOM 0 H ARG A 18 -10.124 2.740 1.488 1.00 0.00 H new ATOM 0 HA ARG A 18 -12.345 2.798 1.254 1.00 0.00 H new ATOM 0 HB2 ARG A 18 -11.752 2.639 -1.223 1.00 0.00 H new ATOM 0 HB3 ARG A 18 -12.131 0.932 -1.107 1.00 0.00 H new ATOM 0 HG2 ARG A 18 -14.437 1.702 -0.181 1.00 0.00 H new ATOM 0 HG3 ARG A 18 -14.004 3.287 -0.789 1.00 0.00 H new ATOM 0 HD2 ARG A 18 -15.267 2.116 -2.506 1.00 0.00 H new ATOM 0 HD3 ARG A 18 -13.612 2.291 -3.053 1.00 0.00 H new ATOM 0 HE ARG A 18 -14.349 -0.219 -1.630 1.00 0.00 H new ATOM 0 HH11 ARG A 18 -13.837 1.316 -4.778 1.00 0.00 H new ATOM 0 HH12 ARG A 18 -13.388 -0.204 -5.558 1.00 0.00 H new ATOM 0 HH21 ARG A 18 -13.716 -2.123 -2.617 1.00 0.00 H new ATOM 0 HH22 ARG A 18 -13.321 -2.145 -4.339 1.00 0.00 H new TER 275 ARG A 18