USER MOD reduce.3.24.130724 H: found=0, std=0, add=141, rem=0, adj=2 USER MOD reduce.3.24.130724 removed 141 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 Single : A 1 ARG N :NH3+ -175:sc= 1.22 (180deg=1.17) USER MOD Single : A 7 TYR OH : rot 180:sc= 0 USER MOD ----------------------------------------------------------------- ATOM 1 N ARG A 1 3.774 -3.149 -4.286 1.00 0.00 N ATOM 2 CA ARG A 1 4.351 -2.724 -5.582 1.00 0.00 C ATOM 3 C ARG A 1 3.422 -3.104 -6.724 1.00 0.00 C ATOM 4 O ARG A 1 3.282 -4.281 -7.043 1.00 0.00 O ATOM 5 CB ARG A 1 5.711 -3.382 -5.809 1.00 0.00 C ATOM 6 CG ARG A 1 6.768 -2.994 -4.791 1.00 0.00 C ATOM 7 CD ARG A 1 8.084 -3.693 -5.080 1.00 0.00 C ATOM 8 NE ARG A 1 8.630 -3.319 -6.384 1.00 0.00 N ATOM 9 CZ ARG A 1 9.260 -4.160 -7.203 1.00 0.00 C ATOM 10 NH1 ARG A 1 9.395 -5.440 -6.875 1.00 0.00 N ATOM 11 NH2 ARG A 1 9.755 -3.720 -8.351 1.00 0.00 N ATOM 0 H1 ARG A 1 4.377 -2.809 -3.510 1.00 0.00 H new ATOM 0 H2 ARG A 1 2.819 -2.750 -4.184 1.00 0.00 H new ATOM 0 H3 ARG A 1 3.721 -4.187 -4.254 1.00 0.00 H new ATOM 0 HA ARG A 1 4.475 -1.641 -5.554 1.00 0.00 H new ATOM 0 HB2 ARG A 1 5.586 -4.465 -5.791 1.00 0.00 H new ATOM 0 HB3 ARG A 1 6.068 -3.119 -6.805 1.00 0.00 H new ATOM 0 HG2 ARG A 1 6.915 -1.914 -4.807 1.00 0.00 H new ATOM 0 HG3 ARG A 1 6.426 -3.254 -3.789 1.00 0.00 H new ATOM 0 HD2 ARG A 1 8.805 -3.445 -4.301 1.00 0.00 H new ATOM 0 HD3 ARG A 1 7.936 -4.772 -5.045 1.00 0.00 H new ATOM 0 HE ARG A 1 8.521 -2.351 -6.686 1.00 0.00 H new ATOM 0 HH11 ARG A 1 9.015 -5.783 -5.993 1.00 0.00 H new ATOM 0 HH12 ARG A 1 9.878 -6.080 -7.506 1.00 0.00 H new ATOM 0 HH21 ARG A 1 9.654 -2.738 -8.607 1.00 0.00 H new ATOM 0 HH22 ARG A 1 10.237 -4.363 -8.978 1.00 0.00 H new ATOM 27 N GLY A 2 2.782 -2.112 -7.330 1.00 0.00 N ATOM 28 CA GLY A 2 1.883 -2.376 -8.437 1.00 0.00 C ATOM 29 C GLY A 2 0.570 -2.983 -7.987 1.00 0.00 C ATOM 30 O GLY A 2 -0.449 -2.292 -7.925 1.00 0.00 O ATOM 0 H GLY A 2 2.870 -1.128 -7.074 1.00 0.00 H new ATOM 0 HA2 GLY A 2 1.686 -1.446 -8.970 1.00 0.00 H new ATOM 0 HA3 GLY A 2 2.369 -3.051 -9.142 1.00 0.00 H new ATOM 34 N GLY A 3 0.597 -4.270 -7.670 1.00 0.00 N ATOM 35 CA GLY A 3 -0.596 -4.952 -7.209 1.00 0.00 C ATOM 36 C GLY A 3 -0.979 -4.533 -5.807 1.00 0.00 C ATOM 37 O GLY A 3 -2.154 -4.536 -5.446 1.00 0.00 O ATOM 0 H GLY A 3 1.429 -4.857 -7.724 1.00 0.00 H new ATOM 0 HA2 GLY A 3 -1.421 -4.740 -7.889 1.00 0.00 H new ATOM 0 HA3 GLY A 3 -0.431 -6.029 -7.234 1.00 0.00 H new ATOM 41 N ARG A 4 0.019 -4.178 -5.012 1.00 0.00 N ATOM 42 CA ARG A 4 -0.220 -3.694 -3.664 1.00 0.00 C ATOM 43 C ARG A 4 0.187 -2.232 -3.543 1.00 0.00 C ATOM 44 O ARG A 4 1.341 -1.878 -3.791 1.00 0.00 O ATOM 45 CB ARG A 4 0.542 -4.540 -2.640 1.00 0.00 C ATOM 46 CG ARG A 4 0.263 -4.144 -1.200 1.00 0.00 C ATOM 47 CD ARG A 4 0.952 -5.079 -0.223 1.00 0.00 C ATOM 48 NE ARG A 4 0.621 -4.759 1.166 1.00 0.00 N ATOM 49 CZ ARG A 4 0.757 -5.614 2.180 1.00 0.00 C ATOM 50 NH1 ARG A 4 1.221 -6.836 1.964 1.00 0.00 N ATOM 51 NH2 ARG A 4 0.424 -5.249 3.412 1.00 0.00 N ATOM 0 H ARG A 4 1.003 -4.217 -5.279 1.00 0.00 H new ATOM 0 HA ARG A 4 -1.287 -3.780 -3.457 1.00 0.00 H new ATOM 0 HB2 ARG A 4 0.278 -5.588 -2.778 1.00 0.00 H new ATOM 0 HB3 ARG A 4 1.611 -4.453 -2.832 1.00 0.00 H new ATOM 0 HG2 ARG A 4 0.604 -3.123 -1.030 1.00 0.00 H new ATOM 0 HG3 ARG A 4 -0.812 -4.156 -1.020 1.00 0.00 H new ATOM 0 HD2 ARG A 4 0.661 -6.107 -0.438 1.00 0.00 H new ATOM 0 HD3 ARG A 4 2.031 -5.018 -0.362 1.00 0.00 H new ATOM 0 HE ARG A 4 0.265 -3.825 1.371 1.00 0.00 H new ATOM 0 HH11 ARG A 4 1.476 -7.125 1.020 1.00 0.00 H new ATOM 0 HH12 ARG A 4 1.324 -7.487 2.742 1.00 0.00 H new ATOM 0 HH21 ARG A 4 0.062 -4.311 3.586 1.00 0.00 H new ATOM 0 HH22 ARG A 4 0.530 -5.906 4.185 1.00 0.00 H new ATOM 65 N LEU A 5 -0.774 -1.399 -3.177 1.00 0.00 N ATOM 66 CA LEU A 5 -0.543 0.021 -2.963 1.00 0.00 C ATOM 67 C LEU A 5 -1.094 0.418 -1.602 1.00 0.00 C ATOM 68 O LEU A 5 -2.256 0.147 -1.292 1.00 0.00 O ATOM 69 CB LEU A 5 -1.212 0.850 -4.062 1.00 0.00 C ATOM 70 CG LEU A 5 -0.668 0.627 -5.477 1.00 0.00 C ATOM 71 CD1 LEU A 5 -1.477 1.422 -6.487 1.00 0.00 C ATOM 72 CD2 LEU A 5 0.802 1.014 -5.554 1.00 0.00 C ATOM 0 H LEU A 5 -1.739 -1.689 -3.019 1.00 0.00 H new ATOM 0 HA LEU A 5 0.529 0.215 -2.996 1.00 0.00 H new ATOM 0 HB2 LEU A 5 -2.279 0.628 -4.062 1.00 0.00 H new ATOM 0 HB3 LEU A 5 -1.106 1.906 -3.813 1.00 0.00 H new ATOM 0 HG LEU A 5 -0.758 -0.433 -5.716 1.00 0.00 H new ATOM 0 HD11 LEU A 5 -1.078 1.253 -7.487 1.00 0.00 H new ATOM 0 HD12 LEU A 5 -2.518 1.101 -6.453 1.00 0.00 H new ATOM 0 HD13 LEU A 5 -1.416 2.484 -6.247 1.00 0.00 H new ATOM 0 HD21 LEU A 5 1.169 0.848 -6.567 1.00 0.00 H new ATOM 0 HD22 LEU A 5 0.915 2.067 -5.295 1.00 0.00 H new ATOM 0 HD23 LEU A 5 1.376 0.405 -4.856 1.00 0.00 H new ATOM 84 N CYS A 6 -0.264 1.036 -0.781 1.00 0.00 N ATOM 85 CA CYS A 6 -0.662 1.374 0.575 1.00 0.00 C ATOM 86 C CYS A 6 -0.197 2.780 0.934 1.00 0.00 C ATOM 87 O CYS A 6 0.989 3.102 0.833 1.00 0.00 O ATOM 88 CB CYS A 6 -0.093 0.336 1.549 1.00 0.00 C ATOM 89 SG CYS A 6 -0.385 -1.388 1.016 1.00 0.00 S ATOM 0 H CYS A 6 0.686 1.313 -1.027 1.00 0.00 H new ATOM 0 HA CYS A 6 -1.750 1.359 0.646 1.00 0.00 H new ATOM 0 HB2 CYS A 6 0.979 0.499 1.658 1.00 0.00 H new ATOM 0 HB3 CYS A 6 -0.540 0.486 2.532 1.00 0.00 H new ATOM 94 N TYR A 7 -1.143 3.620 1.338 1.00 0.00 N ATOM 95 CA TYR A 7 -0.859 5.016 1.628 1.00 0.00 C ATOM 96 C TYR A 7 -1.549 5.447 2.913 1.00 0.00 C ATOM 97 O TYR A 7 -2.611 4.927 3.266 1.00 0.00 O ATOM 98 CB TYR A 7 -1.329 5.914 0.476 1.00 0.00 C ATOM 99 CG TYR A 7 -0.679 5.605 -0.853 1.00 0.00 C ATOM 100 CD1 TYR A 7 0.595 6.069 -1.145 1.00 0.00 C ATOM 101 CD2 TYR A 7 -1.339 4.849 -1.814 1.00 0.00 C ATOM 102 CE1 TYR A 7 1.195 5.788 -2.357 1.00 0.00 C ATOM 103 CE2 TYR A 7 -0.746 4.565 -3.028 1.00 0.00 C ATOM 104 CZ TYR A 7 0.520 5.035 -3.293 1.00 0.00 C ATOM 105 OH TYR A 7 1.116 4.750 -4.500 1.00 0.00 O ATOM 0 H TYR A 7 -2.119 3.354 1.472 1.00 0.00 H new ATOM 0 HA TYR A 7 0.220 5.119 1.747 1.00 0.00 H new ATOM 0 HB2 TYR A 7 -2.410 5.816 0.371 1.00 0.00 H new ATOM 0 HB3 TYR A 7 -1.127 6.953 0.734 1.00 0.00 H new ATOM 0 HD1 TYR A 7 1.126 6.659 -0.413 1.00 0.00 H new ATOM 0 HD2 TYR A 7 -2.332 4.478 -1.608 1.00 0.00 H new ATOM 0 HE1 TYR A 7 2.188 6.156 -2.570 1.00 0.00 H new ATOM 0 HE2 TYR A 7 -1.273 3.977 -3.765 1.00 0.00 H new ATOM 0 HH TYR A 7 0.508 4.209 -5.046 1.00 0.00 H new ATOM 115 N CYS A 8 -0.947 6.396 3.604 1.00 0.00 N ATOM 116 CA CYS A 8 -1.542 6.951 4.805 1.00 0.00 C ATOM 117 C CYS A 8 -2.032 8.367 4.516 1.00 0.00 C ATOM 118 O CYS A 8 -1.261 9.223 4.077 1.00 0.00 O ATOM 119 CB CYS A 8 -0.531 6.955 5.956 1.00 0.00 C ATOM 120 SG CYS A 8 0.240 5.332 6.307 1.00 0.00 S ATOM 0 H CYS A 8 -0.044 6.800 3.354 1.00 0.00 H new ATOM 0 HA CYS A 8 -2.388 6.332 5.105 1.00 0.00 H new ATOM 0 HB2 CYS A 8 0.256 7.673 5.727 1.00 0.00 H new ATOM 0 HB3 CYS A 8 -1.031 7.307 6.859 1.00 0.00 H new ATOM 125 N ARG A 9 -3.315 8.605 4.745 1.00 0.00 N ATOM 126 CA ARG A 9 -3.938 9.869 4.385 1.00 0.00 C ATOM 127 C ARG A 9 -4.663 10.480 5.578 1.00 0.00 C ATOM 128 O ARG A 9 -5.625 9.909 6.094 1.00 0.00 O ATOM 129 CB ARG A 9 -4.915 9.658 3.226 1.00 0.00 C ATOM 130 CG ARG A 9 -5.635 10.922 2.791 1.00 0.00 C ATOM 131 CD ARG A 9 -6.621 10.631 1.674 1.00 0.00 C ATOM 132 NE ARG A 9 -7.434 11.797 1.334 1.00 0.00 N ATOM 133 CZ ARG A 9 -8.642 11.723 0.778 1.00 0.00 C ATOM 134 NH1 ARG A 9 -9.197 10.537 0.542 1.00 0.00 N ATOM 135 NH2 ARG A 9 -9.301 12.833 0.468 1.00 0.00 N ATOM 0 H ARG A 9 -3.948 7.934 5.181 1.00 0.00 H new ATOM 0 HA ARG A 9 -3.155 10.561 4.073 1.00 0.00 H new ATOM 0 HB2 ARG A 9 -4.371 9.250 2.374 1.00 0.00 H new ATOM 0 HB3 ARG A 9 -5.655 8.912 3.518 1.00 0.00 H new ATOM 0 HG2 ARG A 9 -6.161 11.356 3.641 1.00 0.00 H new ATOM 0 HG3 ARG A 9 -4.908 11.661 2.455 1.00 0.00 H new ATOM 0 HD2 ARG A 9 -6.077 10.300 0.789 1.00 0.00 H new ATOM 0 HD3 ARG A 9 -7.273 9.811 1.973 1.00 0.00 H new ATOM 0 HE ARG A 9 -7.054 12.722 1.534 1.00 0.00 H new ATOM 0 HH11 ARG A 9 -8.697 9.682 0.787 1.00 0.00 H new ATOM 0 HH12 ARG A 9 -10.122 10.483 0.116 1.00 0.00 H new ATOM 0 HH21 ARG A 9 -8.882 13.744 0.656 1.00 0.00 H new ATOM 0 HH22 ARG A 9 -10.226 12.775 0.042 1.00 0.00 H new ATOM 149 N GLY A 10 -4.182 11.627 6.026 1.00 0.00 N ATOM 150 CA GLY A 10 -4.801 12.305 7.143 1.00 0.00 C ATOM 151 C GLY A 10 -4.400 11.691 8.462 1.00 0.00 C ATOM 152 O GLY A 10 -3.261 11.842 8.902 1.00 0.00 O ATOM 0 H GLY A 10 -3.370 12.103 5.634 1.00 0.00 H new ATOM 0 HA2 GLY A 10 -4.519 13.358 7.131 1.00 0.00 H new ATOM 0 HA3 GLY A 10 -5.885 12.264 7.038 1.00 0.00 H new ATOM 156 N TRP A 11 -5.333 11.000 9.094 1.00 0.00 N ATOM 157 CA TRP A 11 -5.048 10.305 10.339 1.00 0.00 C ATOM 158 C TRP A 11 -5.364 8.823 10.209 1.00 0.00 C ATOM 159 O TRP A 11 -5.243 8.061 11.168 1.00 0.00 O ATOM 160 CB TRP A 11 -5.831 10.920 11.499 1.00 0.00 C ATOM 161 CG TRP A 11 -5.360 12.296 11.862 1.00 0.00 C ATOM 162 CD1 TRP A 11 -5.859 13.479 11.407 1.00 0.00 C ATOM 163 CD2 TRP A 11 -4.284 12.627 12.747 1.00 0.00 C ATOM 164 NE1 TRP A 11 -5.166 14.528 11.960 1.00 0.00 N ATOM 165 CE2 TRP A 11 -4.195 14.031 12.787 1.00 0.00 C ATOM 166 CE3 TRP A 11 -3.392 11.873 13.514 1.00 0.00 C ATOM 167 CZ2 TRP A 11 -3.248 14.694 13.563 1.00 0.00 C ATOM 168 CZ3 TRP A 11 -2.453 12.532 14.284 1.00 0.00 C ATOM 169 CH2 TRP A 11 -2.387 13.931 14.303 1.00 0.00 C ATOM 0 H TRP A 11 -6.294 10.905 8.766 1.00 0.00 H new ATOM 0 HA TRP A 11 -3.984 10.414 10.551 1.00 0.00 H new ATOM 0 HB2 TRP A 11 -6.888 10.962 11.235 1.00 0.00 H new ATOM 0 HB3 TRP A 11 -5.746 10.272 12.371 1.00 0.00 H new ATOM 0 HD1 TRP A 11 -6.680 13.578 10.712 1.00 0.00 H new ATOM 0 HE1 TRP A 11 -5.346 15.516 11.783 1.00 0.00 H new ATOM 0 HE3 TRP A 11 -3.436 10.794 13.505 1.00 0.00 H new ATOM 0 HZ2 TRP A 11 -3.195 15.773 13.580 1.00 0.00 H new ATOM 0 HZ3 TRP A 11 -1.759 11.959 14.881 1.00 0.00 H new ATOM 0 HH2 TRP A 11 -1.641 14.417 14.914 1.00 0.00 H new ATOM 180 N ILE A 12 -5.768 8.418 9.014 1.00 0.00 N ATOM 181 CA ILE A 12 -6.033 7.016 8.737 1.00 0.00 C ATOM 182 C ILE A 12 -5.082 6.513 7.666 1.00 0.00 C ATOM 183 O ILE A 12 -4.625 7.281 6.819 1.00 0.00 O ATOM 184 CB ILE A 12 -7.490 6.770 8.283 1.00 0.00 C ATOM 185 CG1 ILE A 12 -7.804 7.551 7.000 1.00 0.00 C ATOM 186 CG2 ILE A 12 -8.461 7.145 9.394 1.00 0.00 C ATOM 187 CD1 ILE A 12 -9.193 7.291 6.459 1.00 0.00 C ATOM 0 H ILE A 12 -5.919 9.041 8.221 1.00 0.00 H new ATOM 0 HA ILE A 12 -5.879 6.470 9.668 1.00 0.00 H new ATOM 0 HB ILE A 12 -7.606 5.708 8.065 1.00 0.00 H new ATOM 0 HG12 ILE A 12 -7.693 8.617 7.197 1.00 0.00 H new ATOM 0 HG13 ILE A 12 -7.071 7.290 6.237 1.00 0.00 H new ATOM 0 HG21 ILE A 12 -9.483 6.966 9.060 1.00 0.00 H new ATOM 0 HG22 ILE A 12 -8.257 6.538 10.276 1.00 0.00 H new ATOM 0 HG23 ILE A 12 -8.340 8.199 9.643 1.00 0.00 H new ATOM 0 HD11 ILE A 12 -9.346 7.876 5.552 1.00 0.00 H new ATOM 0 HD12 ILE A 12 -9.302 6.231 6.230 1.00 0.00 H new ATOM 0 HD13 ILE A 12 -9.934 7.579 7.205 1.00 0.00 H new ATOM 199 N CYS A 13 -4.758 5.239 7.710 1.00 0.00 N ATOM 200 CA CYS A 13 -3.883 4.663 6.712 1.00 0.00 C ATOM 201 C CYS A 13 -4.494 3.385 6.163 1.00 0.00 C ATOM 202 O CYS A 13 -5.083 2.600 6.908 1.00 0.00 O ATOM 203 CB CYS A 13 -2.493 4.399 7.298 1.00 0.00 C ATOM 204 SG CYS A 13 -1.240 3.961 6.049 1.00 0.00 S ATOM 0 H CYS A 13 -5.085 4.585 8.422 1.00 0.00 H new ATOM 0 HA CYS A 13 -3.769 5.372 5.892 1.00 0.00 H new ATOM 0 HB2 CYS A 13 -2.161 5.287 7.836 1.00 0.00 H new ATOM 0 HB3 CYS A 13 -2.563 3.592 8.027 1.00 0.00 H new ATOM 209 N PHE A 14 -4.370 3.190 4.863 1.00 0.00 N ATOM 210 CA PHE A 14 -4.969 2.045 4.203 1.00 0.00 C ATOM 211 C PHE A 14 -3.928 1.319 3.363 1.00 0.00 C ATOM 212 O PHE A 14 -2.959 1.921 2.898 1.00 0.00 O ATOM 213 CB PHE A 14 -6.154 2.477 3.333 1.00 0.00 C ATOM 214 CG PHE A 14 -5.791 3.465 2.266 1.00 0.00 C ATOM 215 CD1 PHE A 14 -5.340 3.029 1.031 1.00 0.00 C ATOM 216 CD2 PHE A 14 -5.895 4.826 2.499 1.00 0.00 C ATOM 217 CE1 PHE A 14 -4.998 3.932 0.050 1.00 0.00 C ATOM 218 CE2 PHE A 14 -5.556 5.736 1.519 1.00 0.00 C ATOM 219 CZ PHE A 14 -5.106 5.288 0.292 1.00 0.00 C ATOM 0 H PHE A 14 -3.857 3.814 4.240 1.00 0.00 H new ATOM 0 HA PHE A 14 -5.341 1.362 4.967 1.00 0.00 H new ATOM 0 HB2 PHE A 14 -6.590 1.594 2.865 1.00 0.00 H new ATOM 0 HB3 PHE A 14 -6.923 2.912 3.972 1.00 0.00 H new ATOM 0 HD1 PHE A 14 -5.256 1.970 0.836 1.00 0.00 H new ATOM 0 HD2 PHE A 14 -6.245 5.179 3.458 1.00 0.00 H new ATOM 0 HE1 PHE A 14 -4.645 3.581 -0.908 1.00 0.00 H new ATOM 0 HE2 PHE A 14 -5.642 6.795 1.710 1.00 0.00 H new ATOM 0 HZ PHE A 14 -4.839 5.997 -0.477 1.00 0.00 H new ATOM 229 N CYS A 15 -4.129 0.032 3.181 1.00 0.00 N ATOM 230 CA CYS A 15 -3.189 -0.793 2.447 1.00 0.00 C ATOM 231 C CYS A 15 -3.964 -1.812 1.620 1.00 0.00 C ATOM 232 O CYS A 15 -4.669 -2.660 2.171 1.00 0.00 O ATOM 233 CB CYS A 15 -2.247 -1.483 3.444 1.00 0.00 C ATOM 234 SG CYS A 15 -0.849 -2.399 2.711 1.00 0.00 S ATOM 0 H CYS A 15 -4.943 -0.471 3.534 1.00 0.00 H new ATOM 0 HA CYS A 15 -2.589 -0.186 1.769 1.00 0.00 H new ATOM 0 HB2 CYS A 15 -1.847 -0.727 4.120 1.00 0.00 H new ATOM 0 HB3 CYS A 15 -2.833 -2.175 4.050 1.00 0.00 H new ATOM 239 N VAL A 16 -3.837 -1.728 0.302 1.00 0.00 N ATOM 240 CA VAL A 16 -4.617 -2.571 -0.591 1.00 0.00 C ATOM 241 C VAL A 16 -3.705 -3.380 -1.504 1.00 0.00 C ATOM 242 O VAL A 16 -2.928 -2.818 -2.275 1.00 0.00 O ATOM 243 CB VAL A 16 -5.586 -1.734 -1.456 1.00 0.00 C ATOM 244 CG1 VAL A 16 -6.413 -2.630 -2.366 1.00 0.00 C ATOM 245 CG2 VAL A 16 -6.493 -0.882 -0.580 1.00 0.00 C ATOM 0 H VAL A 16 -3.202 -1.085 -0.171 1.00 0.00 H new ATOM 0 HA VAL A 16 -5.199 -3.248 0.034 1.00 0.00 H new ATOM 0 HB VAL A 16 -4.990 -1.070 -2.081 1.00 0.00 H new ATOM 0 HG11 VAL A 16 -7.087 -2.018 -2.965 1.00 0.00 H new ATOM 0 HG12 VAL A 16 -5.750 -3.190 -3.025 1.00 0.00 H new ATOM 0 HG13 VAL A 16 -6.995 -3.325 -1.761 1.00 0.00 H new ATOM 0 HG21 VAL A 16 -7.167 -0.301 -1.210 1.00 0.00 H new ATOM 0 HG22 VAL A 16 -7.076 -1.528 0.076 1.00 0.00 H new ATOM 0 HG23 VAL A 16 -5.886 -0.206 0.022 1.00 0.00 H new ATOM 255 N GLY A 17 -3.800 -4.696 -1.412 1.00 0.00 N ATOM 256 CA GLY A 17 -2.985 -5.553 -2.240 1.00 0.00 C ATOM 257 C GLY A 17 -3.621 -6.905 -2.463 1.00 0.00 C ATOM 258 O GLY A 17 -4.510 -7.311 -1.713 1.00 0.00 O ATOM 0 H GLY A 17 -4.429 -5.186 -0.776 1.00 0.00 H new ATOM 0 HA2 GLY A 17 -2.815 -5.070 -3.202 1.00 0.00 H new ATOM 0 HA3 GLY A 17 -2.009 -5.685 -1.773 1.00 0.00 H new ATOM 262 N ARG A 18 -3.177 -7.593 -3.500 1.00 0.00 N ATOM 263 CA ARG A 18 -3.669 -8.925 -3.802 1.00 0.00 C ATOM 264 C ARG A 18 -2.514 -9.914 -3.777 1.00 0.00 C ATOM 265 O ARG A 18 -1.925 -10.175 -4.846 1.00 0.00 O ATOM 266 CB ARG A 18 -4.357 -8.953 -5.169 1.00 0.00 C ATOM 267 CG ARG A 18 -5.545 -8.011 -5.284 1.00 0.00 C ATOM 268 CD ARG A 18 -6.647 -8.360 -4.298 1.00 0.00 C ATOM 269 NE ARG A 18 -7.201 -9.689 -4.538 1.00 0.00 N ATOM 270 CZ ARG A 18 -8.341 -10.127 -4.008 1.00 0.00 C ATOM 271 NH1 ARG A 18 -9.058 -9.338 -3.217 1.00 0.00 N ATOM 272 NH2 ARG A 18 -8.762 -11.356 -4.271 1.00 0.00 N ATOM 273 OXT ARG A 18 -2.183 -10.407 -2.684 1.00 0.00 O ATOM 0 H ARG A 18 -2.472 -7.248 -4.151 1.00 0.00 H new ATOM 0 HA ARG A 18 -4.402 -9.206 -3.046 1.00 0.00 H new ATOM 0 HB2 ARG A 18 -3.627 -8.696 -5.937 1.00 0.00 H new ATOM 0 HB3 ARG A 18 -4.692 -9.970 -5.375 1.00 0.00 H new ATOM 0 HG2 ARG A 18 -5.214 -6.987 -5.110 1.00 0.00 H new ATOM 0 HG3 ARG A 18 -5.941 -8.050 -6.299 1.00 0.00 H new ATOM 0 HD2 ARG A 18 -6.253 -8.310 -3.283 1.00 0.00 H new ATOM 0 HD3 ARG A 18 -7.443 -7.618 -4.368 1.00 0.00 H new ATOM 0 HE ARG A 18 -6.683 -10.321 -5.149 1.00 0.00 H new ATOM 0 HH11 ARG A 18 -8.736 -8.392 -3.013 1.00 0.00 H new ATOM 0 HH12 ARG A 18 -9.931 -9.678 -2.813 1.00 0.00 H new ATOM 0 HH21 ARG A 18 -8.213 -11.964 -4.878 1.00 0.00 H new ATOM 0 HH22 ARG A 18 -9.635 -11.694 -3.866 1.00 0.00 H new TER 287 ARG A 18