USER MOD reduce.3.24.130724 H: found=0, std=0, add=263, rem=0, adj=6 USER MOD reduce.3.24.130724 removed 262 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 GLY N :NH3+ -167:sc= 1.13 (180deg=0.793) USER MOD Single : A 5 TYR OH : rot 47:sc= 1.23 USER MOD Single : A 8 LYS NZ :NH3+ -146:sc= 2.22 (180deg=0.821) USER MOD Single : A 10 HIS : no HE2:sc= 0.645 K(o=0.65,f=-4.3!) USER MOD Single : A 12 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 20 THR OG1 : rot 180:sc= 0 USER MOD Single : A 27 TYR OH : rot 180:sc= -0.803 USER MOD ----------------------------------------------------------------- ATOM 1 N GLY A 1 7.399 7.539 -1.362 1.00 0.00 N ATOM 2 CA GLY A 1 6.429 7.067 -0.349 1.00 0.00 C ATOM 3 C GLY A 1 6.939 7.276 1.056 1.00 0.00 C ATOM 4 O GLY A 1 8.117 7.058 1.328 1.00 0.00 O ATOM 0 H1 GLY A 1 6.935 7.585 -2.292 1.00 0.00 H new ATOM 0 H2 GLY A 1 7.743 8.485 -1.099 1.00 0.00 H new ATOM 0 H3 GLY A 1 8.202 6.879 -1.408 1.00 0.00 H new ATOM 0 HA2 GLY A 1 5.485 7.597 -0.475 1.00 0.00 H new ATOM 0 HA3 GLY A 1 6.224 6.008 -0.508 1.00 0.00 H new ATOM 10 N LEU A 2 6.049 7.695 1.945 1.00 0.00 N ATOM 11 CA LEU A 2 6.392 7.931 3.344 1.00 0.00 C ATOM 12 C LEU A 2 5.213 7.549 4.228 1.00 0.00 C ATOM 13 O LEU A 2 5.312 6.658 5.065 1.00 0.00 O ATOM 14 CB LEU A 2 6.763 9.404 3.577 1.00 0.00 C ATOM 15 CG LEU A 2 8.104 9.855 2.988 1.00 0.00 C ATOM 16 CD1 LEU A 2 8.294 11.351 3.188 1.00 0.00 C ATOM 17 CD2 LEU A 2 9.256 9.089 3.623 1.00 0.00 C ATOM 0 H LEU A 2 5.072 7.881 1.720 1.00 0.00 H new ATOM 0 HA LEU A 2 7.256 7.317 3.598 1.00 0.00 H new ATOM 0 HB2 LEU A 2 5.975 10.029 3.157 1.00 0.00 H new ATOM 0 HB3 LEU A 2 6.778 9.590 4.651 1.00 0.00 H new ATOM 0 HG LEU A 2 8.096 9.642 1.919 1.00 0.00 H new ATOM 0 HD11 LEU A 2 9.251 11.656 2.764 1.00 0.00 H new ATOM 0 HD12 LEU A 2 7.488 11.890 2.690 1.00 0.00 H new ATOM 0 HD13 LEU A 2 8.279 11.580 4.253 1.00 0.00 H new ATOM 0 HD21 LEU A 2 10.198 9.425 3.190 1.00 0.00 H new ATOM 0 HD22 LEU A 2 9.265 9.270 4.698 1.00 0.00 H new ATOM 0 HD23 LEU A 2 9.131 8.022 3.436 1.00 0.00 H new ATOM 29 N LEU A 3 4.083 8.210 4.007 1.00 0.00 N ATOM 30 CA LEU A 3 2.866 7.925 4.757 1.00 0.00 C ATOM 31 C LEU A 3 2.070 6.837 4.044 1.00 0.00 C ATOM 32 O LEU A 3 0.890 7.004 3.740 1.00 0.00 O ATOM 33 CB LEU A 3 2.020 9.193 4.910 1.00 0.00 C ATOM 34 CG LEU A 3 2.701 10.344 5.655 1.00 0.00 C ATOM 35 CD1 LEU A 3 1.793 11.562 5.697 1.00 0.00 C ATOM 36 CD2 LEU A 3 3.084 9.917 7.065 1.00 0.00 C ATOM 0 H LEU A 3 3.984 8.950 3.312 1.00 0.00 H new ATOM 0 HA LEU A 3 3.136 7.575 5.753 1.00 0.00 H new ATOM 0 HB2 LEU A 3 1.734 9.542 3.918 1.00 0.00 H new ATOM 0 HB3 LEU A 3 1.100 8.936 5.435 1.00 0.00 H new ATOM 0 HG LEU A 3 3.611 10.610 5.117 1.00 0.00 H new ATOM 0 HD11 LEU A 3 2.293 12.370 6.230 1.00 0.00 H new ATOM 0 HD12 LEU A 3 1.568 11.883 4.680 1.00 0.00 H new ATOM 0 HD13 LEU A 3 0.866 11.307 6.211 1.00 0.00 H new ATOM 0 HD21 LEU A 3 3.567 10.749 7.578 1.00 0.00 H new ATOM 0 HD22 LEU A 3 2.188 9.623 7.612 1.00 0.00 H new ATOM 0 HD23 LEU A 3 3.772 9.073 7.015 1.00 0.00 H new ATOM 48 N CYS A 4 2.742 5.738 3.756 1.00 0.00 N ATOM 49 CA CYS A 4 2.132 4.621 3.059 1.00 0.00 C ATOM 50 C CYS A 4 1.485 3.646 4.036 1.00 0.00 C ATOM 51 O CYS A 4 1.747 3.686 5.237 1.00 0.00 O ATOM 52 CB CYS A 4 3.183 3.903 2.219 1.00 0.00 C ATOM 53 SG CYS A 4 4.136 5.002 1.124 1.00 0.00 S ATOM 0 H CYS A 4 3.723 5.595 3.998 1.00 0.00 H new ATOM 0 HA CYS A 4 1.350 5.010 2.407 1.00 0.00 H new ATOM 0 HB2 CYS A 4 3.873 3.384 2.885 1.00 0.00 H new ATOM 0 HB3 CYS A 4 2.691 3.142 1.613 1.00 0.00 H new ATOM 58 N TYR A 5 0.643 2.768 3.512 1.00 0.00 N ATOM 59 CA TYR A 5 -0.039 1.780 4.327 1.00 0.00 C ATOM 60 C TYR A 5 -0.084 0.437 3.618 1.00 0.00 C ATOM 61 O TYR A 5 -0.476 0.337 2.455 1.00 0.00 O ATOM 62 CB TYR A 5 -1.451 2.268 4.695 1.00 0.00 C ATOM 63 CG TYR A 5 -2.205 2.950 3.564 1.00 0.00 C ATOM 64 CD1 TYR A 5 -2.678 2.234 2.471 1.00 0.00 C ATOM 65 CD2 TYR A 5 -2.442 4.319 3.597 1.00 0.00 C ATOM 66 CE1 TYR A 5 -3.361 2.859 1.445 1.00 0.00 C ATOM 67 CE2 TYR A 5 -3.125 4.952 2.576 1.00 0.00 C ATOM 68 CZ TYR A 5 -3.582 4.219 1.503 1.00 0.00 C ATOM 69 OH TYR A 5 -4.262 4.847 0.485 1.00 0.00 O ATOM 0 H TYR A 5 0.416 2.722 2.519 1.00 0.00 H new ATOM 0 HA TYR A 5 0.521 1.646 5.253 1.00 0.00 H new ATOM 0 HB2 TYR A 5 -2.036 1.416 5.041 1.00 0.00 H new ATOM 0 HB3 TYR A 5 -1.374 2.962 5.532 1.00 0.00 H new ATOM 0 HD1 TYR A 5 -2.509 1.168 2.422 1.00 0.00 H new ATOM 0 HD2 TYR A 5 -2.086 4.899 4.436 1.00 0.00 H new ATOM 0 HE1 TYR A 5 -3.720 2.286 0.603 1.00 0.00 H new ATOM 0 HE2 TYR A 5 -3.300 6.017 2.619 1.00 0.00 H new ATOM 0 HH TYR A 5 -5.070 4.336 0.267 1.00 0.00 H new ATOM 79 N CYS A 6 0.337 -0.600 4.316 1.00 0.00 N ATOM 80 CA CYS A 6 0.350 -1.924 3.738 1.00 0.00 C ATOM 81 C CYS A 6 -0.934 -2.675 4.086 1.00 0.00 C ATOM 82 O CYS A 6 -1.394 -2.650 5.228 1.00 0.00 O ATOM 83 CB CYS A 6 1.583 -2.698 4.186 1.00 0.00 C ATOM 84 SG CYS A 6 1.638 -3.139 5.946 1.00 0.00 S ATOM 0 H CYS A 6 0.672 -0.549 5.278 1.00 0.00 H new ATOM 0 HA CYS A 6 0.397 -1.826 2.653 1.00 0.00 H new ATOM 0 HB2 CYS A 6 1.648 -3.614 3.599 1.00 0.00 H new ATOM 0 HB3 CYS A 6 2.467 -2.105 3.951 1.00 0.00 H new ATOM 89 N ARG A 7 -1.525 -3.327 3.095 1.00 0.00 N ATOM 90 CA ARG A 7 -2.760 -4.075 3.287 1.00 0.00 C ATOM 91 C ARG A 7 -2.666 -5.431 2.598 1.00 0.00 C ATOM 92 O ARG A 7 -2.129 -5.541 1.498 1.00 0.00 O ATOM 93 CB ARG A 7 -3.972 -3.296 2.749 1.00 0.00 C ATOM 94 CG ARG A 7 -4.523 -2.242 3.708 1.00 0.00 C ATOM 95 CD ARG A 7 -3.648 -0.996 3.766 1.00 0.00 C ATOM 96 NE ARG A 7 -4.118 -0.030 4.764 1.00 0.00 N ATOM 97 CZ ARG A 7 -3.970 -0.177 6.086 1.00 0.00 C ATOM 98 NH1 ARG A 7 -3.269 -1.193 6.579 1.00 0.00 N ATOM 99 NH2 ARG A 7 -4.494 0.722 6.916 1.00 0.00 N ATOM 0 H ARG A 7 -1.165 -3.353 2.141 1.00 0.00 H new ATOM 0 HA ARG A 7 -2.899 -4.224 4.358 1.00 0.00 H new ATOM 0 HB2 ARG A 7 -3.690 -2.808 1.816 1.00 0.00 H new ATOM 0 HB3 ARG A 7 -4.766 -4.003 2.511 1.00 0.00 H new ATOM 0 HG2 ARG A 7 -5.529 -1.962 3.397 1.00 0.00 H new ATOM 0 HG3 ARG A 7 -4.606 -2.671 4.707 1.00 0.00 H new ATOM 0 HD2 ARG A 7 -2.623 -1.285 3.999 1.00 0.00 H new ATOM 0 HD3 ARG A 7 -3.630 -0.521 2.785 1.00 0.00 H new ATOM 0 HE ARG A 7 -4.589 0.810 4.428 1.00 0.00 H new ATOM 0 HH11 ARG A 7 -2.838 -1.869 5.948 1.00 0.00 H new ATOM 0 HH12 ARG A 7 -3.162 -1.297 7.588 1.00 0.00 H new ATOM 0 HH21 ARG A 7 -5.007 1.521 6.544 1.00 0.00 H new ATOM 0 HH22 ARG A 7 -4.382 0.612 7.924 1.00 0.00 H new ATOM 113 N LYS A 8 -3.165 -6.464 3.261 1.00 0.00 N ATOM 114 CA LYS A 8 -3.115 -7.814 2.718 1.00 0.00 C ATOM 115 C LYS A 8 -4.134 -8.001 1.600 1.00 0.00 C ATOM 116 O LYS A 8 -3.840 -8.615 0.574 1.00 0.00 O ATOM 117 CB LYS A 8 -3.352 -8.846 3.832 1.00 0.00 C ATOM 118 CG LYS A 8 -3.091 -10.288 3.411 1.00 0.00 C ATOM 119 CD LYS A 8 -4.294 -10.915 2.720 1.00 0.00 C ATOM 120 CE LYS A 8 -3.862 -11.901 1.647 1.00 0.00 C ATOM 121 NZ LYS A 8 -3.055 -11.237 0.585 1.00 0.00 N ATOM 0 H LYS A 8 -3.609 -6.393 4.176 1.00 0.00 H new ATOM 0 HA LYS A 8 -2.122 -7.968 2.296 1.00 0.00 H new ATOM 0 HB2 LYS A 8 -2.710 -8.604 4.679 1.00 0.00 H new ATOM 0 HB3 LYS A 8 -4.382 -8.761 4.178 1.00 0.00 H new ATOM 0 HG2 LYS A 8 -2.233 -10.318 2.740 1.00 0.00 H new ATOM 0 HG3 LYS A 8 -2.830 -10.879 4.289 1.00 0.00 H new ATOM 0 HD2 LYS A 8 -4.915 -11.425 3.457 1.00 0.00 H new ATOM 0 HD3 LYS A 8 -4.908 -10.133 2.273 1.00 0.00 H new ATOM 0 HE2 LYS A 8 -3.278 -12.701 2.101 1.00 0.00 H new ATOM 0 HE3 LYS A 8 -4.743 -12.363 1.200 1.00 0.00 H new ATOM 0 HZ1 LYS A 8 -3.251 -11.687 -0.332 1.00 0.00 H new ATOM 0 HZ2 LYS A 8 -3.306 -10.229 0.537 1.00 0.00 H new ATOM 0 HZ3 LYS A 8 -2.043 -11.331 0.808 1.00 0.00 H new ATOM 135 N GLY A 9 -5.334 -7.504 1.829 1.00 0.00 N ATOM 136 CA GLY A 9 -6.400 -7.649 0.855 1.00 0.00 C ATOM 137 C GLY A 9 -6.214 -6.788 -0.377 1.00 0.00 C ATOM 138 O GLY A 9 -6.108 -7.302 -1.488 1.00 0.00 O ATOM 0 H GLY A 9 -5.595 -6.999 2.676 1.00 0.00 H new ATOM 0 HA2 GLY A 9 -6.465 -8.694 0.552 1.00 0.00 H new ATOM 0 HA3 GLY A 9 -7.349 -7.395 1.326 1.00 0.00 H new ATOM 142 N HIS A 10 -6.186 -5.477 -0.177 1.00 0.00 N ATOM 143 CA HIS A 10 -6.030 -4.533 -1.276 1.00 0.00 C ATOM 144 C HIS A 10 -5.904 -3.124 -0.722 1.00 0.00 C ATOM 145 O HIS A 10 -6.460 -2.820 0.337 1.00 0.00 O ATOM 146 CB HIS A 10 -7.238 -4.623 -2.227 1.00 0.00 C ATOM 147 CG HIS A 10 -7.123 -3.795 -3.476 1.00 0.00 C ATOM 148 ND1 HIS A 10 -7.274 -2.420 -3.499 1.00 0.00 N ATOM 149 CD2 HIS A 10 -6.866 -4.160 -4.755 1.00 0.00 C ATOM 150 CE1 HIS A 10 -7.117 -1.981 -4.733 1.00 0.00 C ATOM 151 NE2 HIS A 10 -6.868 -3.016 -5.514 1.00 0.00 N ATOM 0 H HIS A 10 -6.270 -5.041 0.741 1.00 0.00 H new ATOM 0 HA HIS A 10 -5.128 -4.780 -1.836 1.00 0.00 H new ATOM 0 HB2 HIS A 10 -7.381 -5.665 -2.511 1.00 0.00 H new ATOM 0 HB3 HIS A 10 -8.132 -4.315 -1.685 1.00 0.00 H new ATOM 0 HD1 HIS A 10 -7.476 -1.836 -2.687 1.00 0.00 H new ATOM 0 HD2 HIS A 10 -6.692 -5.165 -5.111 1.00 0.00 H new ATOM 0 HE1 HIS A 10 -7.181 -0.951 -5.050 1.00 0.00 H new ATOM 159 N CYS A 11 -5.176 -2.276 -1.439 1.00 0.00 N ATOM 160 CA CYS A 11 -4.974 -0.891 -1.038 1.00 0.00 C ATOM 161 C CYS A 11 -6.308 -0.212 -0.759 1.00 0.00 C ATOM 162 O CYS A 11 -7.301 -0.461 -1.450 1.00 0.00 O ATOM 163 CB CYS A 11 -4.245 -0.125 -2.136 1.00 0.00 C ATOM 164 SG CYS A 11 -2.838 -1.022 -2.865 1.00 0.00 S ATOM 0 H CYS A 11 -4.711 -2.529 -2.311 1.00 0.00 H new ATOM 0 HA CYS A 11 -4.373 -0.888 -0.128 1.00 0.00 H new ATOM 0 HB2 CYS A 11 -4.955 0.118 -2.926 1.00 0.00 H new ATOM 0 HB3 CYS A 11 -3.887 0.820 -1.728 1.00 0.00 H new ATOM 169 N LYS A 12 -6.325 0.639 0.251 1.00 0.00 N ATOM 170 CA LYS A 12 -7.530 1.358 0.623 1.00 0.00 C ATOM 171 C LYS A 12 -7.543 2.740 -0.011 1.00 0.00 C ATOM 172 O LYS A 12 -6.515 3.419 -0.048 1.00 0.00 O ATOM 173 CB LYS A 12 -7.639 1.470 2.146 1.00 0.00 C ATOM 174 CG LYS A 12 -7.928 0.146 2.841 1.00 0.00 C ATOM 175 CD LYS A 12 -9.296 -0.399 2.455 1.00 0.00 C ATOM 176 CE LYS A 12 -9.613 -1.690 3.193 1.00 0.00 C ATOM 177 NZ LYS A 12 -10.973 -2.201 2.862 1.00 0.00 N ATOM 0 H LYS A 12 -5.513 0.850 0.831 1.00 0.00 H new ATOM 0 HA LYS A 12 -8.391 0.800 0.254 1.00 0.00 H new ATOM 0 HB2 LYS A 12 -6.708 1.880 2.538 1.00 0.00 H new ATOM 0 HB3 LYS A 12 -8.429 2.179 2.393 1.00 0.00 H new ATOM 0 HG2 LYS A 12 -7.158 -0.580 2.578 1.00 0.00 H new ATOM 0 HG3 LYS A 12 -7.881 0.283 3.921 1.00 0.00 H new ATOM 0 HD2 LYS A 12 -10.061 0.345 2.678 1.00 0.00 H new ATOM 0 HD3 LYS A 12 -9.327 -0.577 1.380 1.00 0.00 H new ATOM 0 HE2 LYS A 12 -8.870 -2.445 2.938 1.00 0.00 H new ATOM 0 HE3 LYS A 12 -9.540 -1.521 4.267 1.00 0.00 H new ATOM 0 HZ1 LYS A 12 -11.150 -3.082 3.386 1.00 0.00 H new ATOM 0 HZ2 LYS A 12 -11.685 -1.491 3.128 1.00 0.00 H new ATOM 0 HZ3 LYS A 12 -11.035 -2.387 1.841 1.00 0.00 H new ATOM 191 N ARG A 13 -8.711 3.138 -0.512 1.00 0.00 N ATOM 192 CA ARG A 13 -8.892 4.435 -1.160 1.00 0.00 C ATOM 193 C ARG A 13 -8.032 4.535 -2.423 1.00 0.00 C ATOM 194 O ARG A 13 -7.854 3.549 -3.136 1.00 0.00 O ATOM 195 CB ARG A 13 -8.566 5.576 -0.183 1.00 0.00 C ATOM 196 CG ARG A 13 -9.442 5.579 1.062 1.00 0.00 C ATOM 197 CD ARG A 13 -8.989 6.625 2.072 1.00 0.00 C ATOM 198 NE ARG A 13 -9.138 7.997 1.572 1.00 0.00 N ATOM 199 CZ ARG A 13 -10.311 8.618 1.404 1.00 0.00 C ATOM 200 NH1 ARG A 13 -11.450 8.015 1.738 1.00 0.00 N ATOM 201 NH2 ARG A 13 -10.341 9.857 0.917 1.00 0.00 N ATOM 0 H ARG A 13 -9.558 2.571 -0.480 1.00 0.00 H new ATOM 0 HA ARG A 13 -9.937 4.528 -1.456 1.00 0.00 H new ATOM 0 HB2 ARG A 13 -7.521 5.499 0.118 1.00 0.00 H new ATOM 0 HB3 ARG A 13 -8.679 6.529 -0.699 1.00 0.00 H new ATOM 0 HG2 ARG A 13 -10.476 5.773 0.778 1.00 0.00 H new ATOM 0 HG3 ARG A 13 -9.418 4.593 1.525 1.00 0.00 H new ATOM 0 HD2 ARG A 13 -9.567 6.512 2.989 1.00 0.00 H new ATOM 0 HD3 ARG A 13 -7.945 6.448 2.329 1.00 0.00 H new ATOM 0 HE ARG A 13 -8.290 8.512 1.337 1.00 0.00 H new ATOM 0 HH11 ARG A 13 -11.433 7.072 2.126 1.00 0.00 H new ATOM 0 HH12 ARG A 13 -12.340 8.496 1.606 1.00 0.00 H new ATOM 0 HH21 ARG A 13 -9.471 10.330 0.673 1.00 0.00 H new ATOM 0 HH22 ARG A 13 -11.234 10.333 0.788 1.00 0.00 H new ATOM 215 N GLY A 14 -7.502 5.724 -2.691 1.00 0.00 N ATOM 216 CA GLY A 14 -6.673 5.923 -3.868 1.00 0.00 C ATOM 217 C GLY A 14 -5.229 5.518 -3.647 1.00 0.00 C ATOM 218 O GLY A 14 -4.312 6.228 -4.060 1.00 0.00 O ATOM 0 H GLY A 14 -7.631 6.555 -2.114 1.00 0.00 H new ATOM 0 HA2 GLY A 14 -7.084 5.347 -4.697 1.00 0.00 H new ATOM 0 HA3 GLY A 14 -6.710 6.973 -4.159 1.00 0.00 H new ATOM 222 N GLY A 15 -5.030 4.379 -2.999 1.00 0.00 N ATOM 223 CA GLY A 15 -3.691 3.895 -2.735 1.00 0.00 C ATOM 224 C GLY A 15 -3.135 3.070 -3.877 1.00 0.00 C ATOM 225 O GLY A 15 -3.817 2.195 -4.414 1.00 0.00 O ATOM 0 H GLY A 15 -5.777 3.779 -2.650 1.00 0.00 H new ATOM 0 HA2 GLY A 15 -3.032 4.743 -2.550 1.00 0.00 H new ATOM 0 HA3 GLY A 15 -3.699 3.293 -1.827 1.00 0.00 H new ATOM 229 N ARG A 16 -1.890 3.339 -4.241 1.00 0.00 N ATOM 230 CA ARG A 16 -1.228 2.614 -5.309 1.00 0.00 C ATOM 231 C ARG A 16 -0.107 1.763 -4.736 1.00 0.00 C ATOM 232 O ARG A 16 0.608 2.195 -3.832 1.00 0.00 O ATOM 233 CB ARG A 16 -0.685 3.579 -6.366 1.00 0.00 C ATOM 234 CG ARG A 16 -1.777 4.311 -7.135 1.00 0.00 C ATOM 235 CD ARG A 16 -2.736 3.330 -7.799 1.00 0.00 C ATOM 236 NE ARG A 16 -3.833 4.003 -8.499 1.00 0.00 N ATOM 237 CZ ARG A 16 -3.702 4.677 -9.646 1.00 0.00 C ATOM 238 NH1 ARG A 16 -2.523 4.738 -10.259 1.00 0.00 N ATOM 239 NH2 ARG A 16 -4.757 5.277 -10.187 1.00 0.00 N ATOM 0 H ARG A 16 -1.316 4.061 -3.806 1.00 0.00 H new ATOM 0 HA ARG A 16 -1.955 1.962 -5.793 1.00 0.00 H new ATOM 0 HB2 ARG A 16 -0.039 4.311 -5.881 1.00 0.00 H new ATOM 0 HB3 ARG A 16 -0.065 3.024 -7.070 1.00 0.00 H new ATOM 0 HG2 ARG A 16 -2.330 4.961 -6.457 1.00 0.00 H new ATOM 0 HG3 ARG A 16 -1.325 4.951 -7.893 1.00 0.00 H new ATOM 0 HD2 ARG A 16 -2.184 2.710 -8.506 1.00 0.00 H new ATOM 0 HD3 ARG A 16 -3.148 2.662 -7.043 1.00 0.00 H new ATOM 0 HE ARG A 16 -4.762 3.954 -8.082 1.00 0.00 H new ATOM 0 HH11 ARG A 16 -1.713 4.269 -9.854 1.00 0.00 H new ATOM 0 HH12 ARG A 16 -2.429 5.254 -11.134 1.00 0.00 H new ATOM 0 HH21 ARG A 16 -5.666 5.223 -9.727 1.00 0.00 H new ATOM 0 HH22 ARG A 16 -4.658 5.792 -11.062 1.00 0.00 H new ATOM 253 N VAL A 17 0.021 0.555 -5.250 1.00 0.00 N ATOM 254 CA VAL A 17 1.040 -0.383 -4.789 1.00 0.00 C ATOM 255 C VAL A 17 2.456 0.140 -5.032 1.00 0.00 C ATOM 256 O VAL A 17 2.752 0.728 -6.075 1.00 0.00 O ATOM 257 CB VAL A 17 0.883 -1.767 -5.458 1.00 0.00 C ATOM 258 CG1 VAL A 17 -0.395 -2.446 -4.992 1.00 0.00 C ATOM 259 CG2 VAL A 17 0.897 -1.645 -6.977 1.00 0.00 C ATOM 0 H VAL A 17 -0.573 0.192 -5.996 1.00 0.00 H new ATOM 0 HA VAL A 17 0.890 -0.488 -3.714 1.00 0.00 H new ATOM 0 HB VAL A 17 1.732 -2.382 -5.159 1.00 0.00 H new ATOM 0 HG11 VAL A 17 -0.487 -3.419 -5.475 1.00 0.00 H new ATOM 0 HG12 VAL A 17 -0.363 -2.579 -3.911 1.00 0.00 H new ATOM 0 HG13 VAL A 17 -1.253 -1.828 -5.256 1.00 0.00 H new ATOM 0 HG21 VAL A 17 0.785 -2.633 -7.422 1.00 0.00 H new ATOM 0 HG22 VAL A 17 0.074 -1.007 -7.298 1.00 0.00 H new ATOM 0 HG23 VAL A 17 1.842 -1.207 -7.298 1.00 0.00 H new ATOM 269 N ARG A 18 3.321 -0.078 -4.053 1.00 0.00 N ATOM 270 CA ARG A 18 4.714 0.351 -4.129 1.00 0.00 C ATOM 271 C ARG A 18 5.643 -0.808 -3.775 1.00 0.00 C ATOM 272 O ARG A 18 6.749 -0.910 -4.299 1.00 0.00 O ATOM 273 CB ARG A 18 4.985 1.536 -3.194 1.00 0.00 C ATOM 274 CG ARG A 18 4.912 2.901 -3.872 1.00 0.00 C ATOM 275 CD ARG A 18 3.491 3.267 -4.269 1.00 0.00 C ATOM 276 NE ARG A 18 3.401 4.621 -4.827 1.00 0.00 N ATOM 277 CZ ARG A 18 3.856 4.971 -6.029 1.00 0.00 C ATOM 278 NH1 ARG A 18 4.363 4.055 -6.850 1.00 0.00 N ATOM 279 NH2 ARG A 18 3.779 6.238 -6.416 1.00 0.00 N ATOM 0 H ARG A 18 3.080 -0.556 -3.185 1.00 0.00 H new ATOM 0 HA ARG A 18 4.908 0.672 -5.152 1.00 0.00 H new ATOM 0 HB2 ARG A 18 4.265 1.511 -2.376 1.00 0.00 H new ATOM 0 HB3 ARG A 18 5.974 1.416 -2.751 1.00 0.00 H new ATOM 0 HG2 ARG A 18 5.307 3.661 -3.198 1.00 0.00 H new ATOM 0 HG3 ARG A 18 5.547 2.900 -4.758 1.00 0.00 H new ATOM 0 HD2 ARG A 18 3.124 2.549 -5.002 1.00 0.00 H new ATOM 0 HD3 ARG A 18 2.841 3.192 -3.397 1.00 0.00 H new ATOM 0 HE ARG A 18 2.961 5.343 -4.256 1.00 0.00 H new ATOM 0 HH11 ARG A 18 4.405 3.078 -6.560 1.00 0.00 H new ATOM 0 HH12 ARG A 18 4.710 4.330 -7.769 1.00 0.00 H new ATOM 0 HH21 ARG A 18 3.373 6.937 -5.794 1.00 0.00 H new ATOM 0 HH22 ARG A 18 4.126 6.512 -7.335 1.00 0.00 H new ATOM 293 N GLY A 19 5.181 -1.679 -2.884 1.00 0.00 N ATOM 294 CA GLY A 19 5.978 -2.821 -2.475 1.00 0.00 C ATOM 295 C GLY A 19 5.142 -3.867 -1.767 1.00 0.00 C ATOM 296 O GLY A 19 3.948 -3.998 -2.035 1.00 0.00 O ATOM 0 H GLY A 19 4.267 -1.614 -2.437 1.00 0.00 H new ATOM 0 HA2 GLY A 19 6.451 -3.266 -3.350 1.00 0.00 H new ATOM 0 HA3 GLY A 19 6.778 -2.488 -1.815 1.00 0.00 H new ATOM 300 N THR A 20 5.758 -4.604 -0.857 1.00 0.00 N ATOM 301 CA THR A 20 5.059 -5.638 -0.109 1.00 0.00 C ATOM 302 C THR A 20 5.259 -5.467 1.396 1.00 0.00 C ATOM 303 O THR A 20 6.342 -5.106 1.851 1.00 0.00 O ATOM 304 CB THR A 20 5.534 -7.044 -0.527 1.00 0.00 C ATOM 305 OG1 THR A 20 6.955 -7.045 -0.712 1.00 0.00 O ATOM 306 CG2 THR A 20 4.848 -7.498 -1.807 1.00 0.00 C ATOM 0 H THR A 20 6.745 -4.505 -0.617 1.00 0.00 H new ATOM 0 HA THR A 20 3.999 -5.535 -0.340 1.00 0.00 H new ATOM 0 HB THR A 20 5.269 -7.741 0.268 1.00 0.00 H new ATOM 0 HG1 THR A 20 7.250 -7.942 -0.976 1.00 0.00 H new ATOM 0 HG21 THR A 20 5.203 -8.493 -2.077 1.00 0.00 H new ATOM 0 HG22 THR A 20 3.770 -7.527 -1.651 1.00 0.00 H new ATOM 0 HG23 THR A 20 5.079 -6.800 -2.611 1.00 0.00 H new ATOM 314 N CYS A 21 4.212 -5.743 2.164 1.00 0.00 N ATOM 315 CA CYS A 21 4.275 -5.640 3.619 1.00 0.00 C ATOM 316 C CYS A 21 4.693 -6.987 4.205 1.00 0.00 C ATOM 317 O CYS A 21 4.127 -7.458 5.189 1.00 0.00 O ATOM 318 CB CYS A 21 2.920 -5.227 4.191 1.00 0.00 C ATOM 319 SG CYS A 21 2.959 -4.676 5.933 1.00 0.00 S ATOM 0 H CYS A 21 3.306 -6.041 1.803 1.00 0.00 H new ATOM 0 HA CYS A 21 5.008 -4.878 3.885 1.00 0.00 H new ATOM 0 HB2 CYS A 21 2.513 -4.422 3.579 1.00 0.00 H new ATOM 0 HB3 CYS A 21 2.234 -6.070 4.106 1.00 0.00 H new ATOM 324 N GLY A 22 5.669 -7.619 3.574 1.00 0.00 N ATOM 325 CA GLY A 22 6.121 -8.912 4.031 1.00 0.00 C ATOM 326 C GLY A 22 5.596 -10.038 3.162 1.00 0.00 C ATOM 327 O GLY A 22 5.623 -9.947 1.933 1.00 0.00 O ATOM 0 H GLY A 22 6.156 -7.258 2.753 1.00 0.00 H new ATOM 0 HA2 GLY A 22 7.211 -8.935 4.034 1.00 0.00 H new ATOM 0 HA3 GLY A 22 5.796 -9.067 5.060 1.00 0.00 H new ATOM 331 N ILE A 23 5.128 -11.101 3.794 1.00 0.00 N ATOM 332 CA ILE A 23 4.613 -12.256 3.072 1.00 0.00 C ATOM 333 C ILE A 23 3.121 -12.115 2.738 1.00 0.00 C ATOM 334 O ILE A 23 2.277 -12.027 3.625 1.00 0.00 O ATOM 335 CB ILE A 23 4.864 -13.563 3.869 1.00 0.00 C ATOM 336 CG1 ILE A 23 4.221 -14.764 3.167 1.00 0.00 C ATOM 337 CG2 ILE A 23 4.358 -13.436 5.301 1.00 0.00 C ATOM 338 CD1 ILE A 23 4.515 -16.093 3.832 1.00 0.00 C ATOM 0 H ILE A 23 5.093 -11.190 4.810 1.00 0.00 H new ATOM 0 HA ILE A 23 5.156 -12.307 2.129 1.00 0.00 H new ATOM 0 HB ILE A 23 5.940 -13.731 3.907 1.00 0.00 H new ATOM 0 HG12 ILE A 23 3.142 -14.617 3.132 1.00 0.00 H new ATOM 0 HG13 ILE A 23 4.571 -14.800 2.135 1.00 0.00 H new ATOM 0 HG21 ILE A 23 4.546 -14.366 5.837 1.00 0.00 H new ATOM 0 HG22 ILE A 23 4.878 -12.618 5.799 1.00 0.00 H new ATOM 0 HG23 ILE A 23 3.287 -13.233 5.292 1.00 0.00 H new ATOM 0 HD11 ILE A 23 4.026 -16.894 3.277 1.00 0.00 H new ATOM 0 HD12 ILE A 23 5.591 -16.264 3.843 1.00 0.00 H new ATOM 0 HD13 ILE A 23 4.140 -16.079 4.855 1.00 0.00 H new ATOM 350 N ARG A 24 2.818 -12.115 1.437 1.00 0.00 N ATOM 351 CA ARG A 24 1.440 -12.013 0.929 1.00 0.00 C ATOM 352 C ARG A 24 0.733 -10.718 1.349 1.00 0.00 C ATOM 353 O ARG A 24 -0.498 -10.678 1.423 1.00 0.00 O ATOM 354 CB ARG A 24 0.602 -13.225 1.370 1.00 0.00 C ATOM 355 CG ARG A 24 0.685 -14.424 0.430 1.00 0.00 C ATOM 356 CD ARG A 24 2.061 -15.073 0.439 1.00 0.00 C ATOM 357 NE ARG A 24 2.125 -16.230 -0.457 1.00 0.00 N ATOM 358 CZ ARG A 24 3.206 -16.996 -0.618 1.00 0.00 C ATOM 359 NH1 ARG A 24 4.315 -16.744 0.074 1.00 0.00 N ATOM 360 NH2 ARG A 24 3.174 -18.022 -1.464 1.00 0.00 N ATOM 0 H ARG A 24 3.521 -12.186 0.701 1.00 0.00 H new ATOM 0 HA ARG A 24 1.524 -11.997 -0.158 1.00 0.00 H new ATOM 0 HB2 ARG A 24 0.927 -13.534 2.363 1.00 0.00 H new ATOM 0 HB3 ARG A 24 -0.440 -12.918 1.457 1.00 0.00 H new ATOM 0 HG2 ARG A 24 -0.064 -15.162 0.719 1.00 0.00 H new ATOM 0 HG3 ARG A 24 0.443 -14.105 -0.584 1.00 0.00 H new ATOM 0 HD2 ARG A 24 2.810 -14.340 0.139 1.00 0.00 H new ATOM 0 HD3 ARG A 24 2.308 -15.385 1.454 1.00 0.00 H new ATOM 0 HE ARG A 24 1.289 -16.465 -0.992 1.00 0.00 H new ATOM 0 HH11 ARG A 24 4.341 -15.963 0.730 1.00 0.00 H new ATOM 0 HH12 ARG A 24 5.139 -17.332 -0.052 1.00 0.00 H new ATOM 0 HH21 ARG A 24 2.323 -18.223 -1.990 1.00 0.00 H new ATOM 0 HH22 ARG A 24 4.000 -18.607 -1.587 1.00 0.00 H new ATOM 374 N PHE A 25 1.498 -9.663 1.586 1.00 0.00 N ATOM 375 CA PHE A 25 0.933 -8.369 1.963 1.00 0.00 C ATOM 376 C PHE A 25 1.382 -7.304 0.968 1.00 0.00 C ATOM 377 O PHE A 25 2.536 -7.299 0.551 1.00 0.00 O ATOM 378 CB PHE A 25 1.370 -7.966 3.375 1.00 0.00 C ATOM 379 CG PHE A 25 0.549 -8.554 4.491 1.00 0.00 C ATOM 380 CD1 PHE A 25 0.418 -9.924 4.641 1.00 0.00 C ATOM 381 CD2 PHE A 25 -0.082 -7.723 5.404 1.00 0.00 C ATOM 382 CE1 PHE A 25 -0.328 -10.455 5.676 1.00 0.00 C ATOM 383 CE2 PHE A 25 -0.827 -8.248 6.441 1.00 0.00 C ATOM 384 CZ PHE A 25 -0.952 -9.616 6.577 1.00 0.00 C ATOM 0 H PHE A 25 2.516 -9.675 1.524 1.00 0.00 H new ATOM 0 HA PHE A 25 -0.154 -8.454 1.950 1.00 0.00 H new ATOM 0 HB2 PHE A 25 2.410 -8.262 3.515 1.00 0.00 H new ATOM 0 HB3 PHE A 25 1.335 -6.879 3.453 1.00 0.00 H new ATOM 0 HD1 PHE A 25 0.905 -10.586 3.940 1.00 0.00 H new ATOM 0 HD2 PHE A 25 0.010 -6.652 5.303 1.00 0.00 H new ATOM 0 HE1 PHE A 25 -0.423 -11.526 5.780 1.00 0.00 H new ATOM 0 HE2 PHE A 25 -1.312 -7.589 7.146 1.00 0.00 H new ATOM 0 HZ PHE A 25 -1.536 -10.029 7.386 1.00 0.00 H new ATOM 394 N LEU A 26 0.478 -6.414 0.580 1.00 0.00 N ATOM 395 CA LEU A 26 0.812 -5.365 -0.380 1.00 0.00 C ATOM 396 C LEU A 26 1.057 -4.030 0.317 1.00 0.00 C ATOM 397 O LEU A 26 0.260 -3.596 1.144 1.00 0.00 O ATOM 398 CB LEU A 26 -0.302 -5.196 -1.423 1.00 0.00 C ATOM 399 CG LEU A 26 -0.497 -6.363 -2.400 1.00 0.00 C ATOM 400 CD1 LEU A 26 -1.208 -7.532 -1.731 1.00 0.00 C ATOM 401 CD2 LEU A 26 -1.273 -5.900 -3.622 1.00 0.00 C ATOM 0 H LEU A 26 -0.486 -6.395 0.911 1.00 0.00 H new ATOM 0 HA LEU A 26 1.729 -5.673 -0.882 1.00 0.00 H new ATOM 0 HB2 LEU A 26 -1.242 -5.029 -0.897 1.00 0.00 H new ATOM 0 HB3 LEU A 26 -0.096 -4.295 -2.001 1.00 0.00 H new ATOM 0 HG LEU A 26 0.488 -6.708 -2.715 1.00 0.00 H new ATOM 0 HD11 LEU A 26 -1.331 -8.342 -2.449 1.00 0.00 H new ATOM 0 HD12 LEU A 26 -0.615 -7.883 -0.886 1.00 0.00 H new ATOM 0 HD13 LEU A 26 -2.187 -7.208 -1.378 1.00 0.00 H new ATOM 0 HD21 LEU A 26 -1.405 -6.737 -4.308 1.00 0.00 H new ATOM 0 HD22 LEU A 26 -2.249 -5.527 -3.313 1.00 0.00 H new ATOM 0 HD23 LEU A 26 -0.722 -5.104 -4.123 1.00 0.00 H new ATOM 413 N TYR A 27 2.146 -3.371 -0.041 1.00 0.00 N ATOM 414 CA TYR A 27 2.479 -2.071 0.524 1.00 0.00 C ATOM 415 C TYR A 27 2.036 -0.993 -0.458 1.00 0.00 C ATOM 416 O TYR A 27 2.558 -0.912 -1.573 1.00 0.00 O ATOM 417 CB TYR A 27 3.986 -1.990 0.792 1.00 0.00 C ATOM 418 CG TYR A 27 4.430 -0.773 1.576 1.00 0.00 C ATOM 419 CD1 TYR A 27 3.665 -0.270 2.621 1.00 0.00 C ATOM 420 CD2 TYR A 27 5.631 -0.142 1.281 1.00 0.00 C ATOM 421 CE1 TYR A 27 4.084 0.826 3.347 1.00 0.00 C ATOM 422 CE2 TYR A 27 6.056 0.956 2.001 1.00 0.00 C ATOM 423 CZ TYR A 27 5.280 1.437 3.033 1.00 0.00 C ATOM 424 OH TYR A 27 5.698 2.532 3.752 1.00 0.00 O ATOM 0 H TYR A 27 2.820 -3.716 -0.725 1.00 0.00 H new ATOM 0 HA TYR A 27 1.965 -1.924 1.474 1.00 0.00 H new ATOM 0 HB2 TYR A 27 4.292 -2.885 1.334 1.00 0.00 H new ATOM 0 HB3 TYR A 27 4.511 -2.000 -0.163 1.00 0.00 H new ATOM 0 HD1 TYR A 27 2.727 -0.745 2.869 1.00 0.00 H new ATOM 0 HD2 TYR A 27 6.243 -0.517 0.474 1.00 0.00 H new ATOM 0 HE1 TYR A 27 3.478 1.204 4.157 1.00 0.00 H new ATOM 0 HE2 TYR A 27 6.992 1.436 1.757 1.00 0.00 H new ATOM 0 HH TYR A 27 6.560 2.842 3.404 1.00 0.00 H new ATOM 434 N CYS A 28 1.049 -0.202 -0.066 1.00 0.00 N ATOM 435 CA CYS A 28 0.509 0.828 -0.942 1.00 0.00 C ATOM 436 C CYS A 28 0.760 2.231 -0.405 1.00 0.00 C ATOM 437 O CYS A 28 0.753 2.460 0.803 1.00 0.00 O ATOM 438 CB CYS A 28 -0.996 0.621 -1.112 1.00 0.00 C ATOM 439 SG CYS A 28 -1.491 -1.116 -1.353 1.00 0.00 S ATOM 0 H CYS A 28 0.606 -0.253 0.851 1.00 0.00 H new ATOM 0 HA CYS A 28 1.020 0.739 -1.901 1.00 0.00 H new ATOM 0 HB2 CYS A 28 -1.507 1.013 -0.233 1.00 0.00 H new ATOM 0 HB3 CYS A 28 -1.337 1.206 -1.966 1.00 0.00 H new ATOM 444 N CYS A 29 0.947 3.170 -1.317 1.00 0.00 N ATOM 445 CA CYS A 29 1.163 4.564 -0.967 1.00 0.00 C ATOM 446 C CYS A 29 0.068 5.412 -1.601 1.00 0.00 C ATOM 447 O CYS A 29 -0.335 5.152 -2.736 1.00 0.00 O ATOM 448 CB CYS A 29 2.536 5.043 -1.443 1.00 0.00 C ATOM 449 SG CYS A 29 3.939 4.147 -0.704 1.00 0.00 S ATOM 0 H CYS A 29 0.953 2.988 -2.321 1.00 0.00 H new ATOM 0 HA CYS A 29 1.130 4.664 0.118 1.00 0.00 H new ATOM 0 HB2 CYS A 29 2.587 4.944 -2.527 1.00 0.00 H new ATOM 0 HB3 CYS A 29 2.637 6.104 -1.215 1.00 0.00 H new ATOM 454 N PRO A 30 -0.443 6.419 -0.876 1.00 0.00 N ATOM 455 CA PRO A 30 -1.512 7.292 -1.376 1.00 0.00 C ATOM 456 C PRO A 30 -1.128 8.010 -2.668 1.00 0.00 C ATOM 457 O PRO A 30 -1.933 8.124 -3.591 1.00 0.00 O ATOM 458 CB PRO A 30 -1.719 8.304 -0.244 1.00 0.00 C ATOM 459 CG PRO A 30 -1.165 7.646 0.972 1.00 0.00 C ATOM 460 CD PRO A 30 -0.037 6.777 0.495 1.00 0.00 C ATOM 0 HA PRO A 30 -2.408 6.723 -1.624 1.00 0.00 H new ATOM 0 HB2 PRO A 30 -1.204 9.241 -0.454 1.00 0.00 H new ATOM 0 HB3 PRO A 30 -2.775 8.542 -0.117 1.00 0.00 H new ATOM 0 HG2 PRO A 30 -0.811 8.386 1.689 1.00 0.00 H new ATOM 0 HG3 PRO A 30 -1.928 7.053 1.477 1.00 0.00 H new ATOM 0 HD2 PRO A 30 0.914 7.309 0.507 1.00 0.00 H new ATOM 0 HD3 PRO A 30 0.084 5.894 1.123 1.00 0.00 H new ATOM 468 N ARG A 31 0.103 8.500 -2.730 1.00 0.00 N ATOM 469 CA ARG A 31 0.590 9.208 -3.907 1.00 0.00 C ATOM 470 C ARG A 31 2.061 8.886 -4.166 1.00 0.00 C ATOM 471 O ARG A 31 2.409 7.744 -4.482 1.00 0.00 O ATOM 472 CB ARG A 31 0.404 10.729 -3.762 1.00 0.00 C ATOM 473 CG ARG A 31 -0.990 11.233 -4.113 1.00 0.00 C ATOM 474 CD ARG A 31 -1.931 11.207 -2.915 1.00 0.00 C ATOM 475 NE ARG A 31 -3.266 11.712 -3.251 1.00 0.00 N ATOM 476 CZ ARG A 31 -4.165 11.043 -3.983 1.00 0.00 C ATOM 477 NH1 ARG A 31 -3.923 9.794 -4.375 1.00 0.00 N ATOM 478 NH2 ARG A 31 -5.321 11.618 -4.300 1.00 0.00 N ATOM 0 H ARG A 31 0.785 8.420 -1.976 1.00 0.00 H new ATOM 0 HA ARG A 31 -0.000 8.869 -4.758 1.00 0.00 H new ATOM 0 HB2 ARG A 31 0.631 11.013 -2.735 1.00 0.00 H new ATOM 0 HB3 ARG A 31 1.130 11.233 -4.400 1.00 0.00 H new ATOM 0 HG2 ARG A 31 -0.920 12.251 -4.496 1.00 0.00 H new ATOM 0 HG3 ARG A 31 -1.406 10.619 -4.912 1.00 0.00 H new ATOM 0 HD2 ARG A 31 -2.013 10.186 -2.541 1.00 0.00 H new ATOM 0 HD3 ARG A 31 -1.509 11.808 -2.110 1.00 0.00 H new ATOM 0 HE ARG A 31 -3.527 12.635 -2.904 1.00 0.00 H new ATOM 0 HH11 ARG A 31 -3.047 9.339 -4.118 1.00 0.00 H new ATOM 0 HH12 ARG A 31 -4.614 9.292 -4.933 1.00 0.00 H new ATOM 0 HH21 ARG A 31 -5.522 12.567 -3.985 1.00 0.00 H new ATOM 0 HH22 ARG A 31 -6.007 11.110 -4.858 1.00 0.00 H new ATOM 492 N ARG A 32 2.914 9.896 -4.037 1.00 0.00 N ATOM 493 CA ARG A 32 4.346 9.737 -4.257 1.00 0.00 C ATOM 494 C ARG A 32 4.968 8.871 -3.167 1.00 0.00 C ATOM 495 O ARG A 32 6.012 8.243 -3.433 1.00 0.00 O ATOM 496 CB ARG A 32 5.033 11.105 -4.289 1.00 0.00 C ATOM 497 CG ARG A 32 4.536 12.017 -5.402 1.00 0.00 C ATOM 498 CD ARG A 32 5.179 13.396 -5.322 1.00 0.00 C ATOM 499 NE ARG A 32 6.630 13.354 -5.533 1.00 0.00 N ATOM 500 CZ ARG A 32 7.216 13.128 -6.713 1.00 0.00 C ATOM 501 NH1 ARG A 32 6.481 12.967 -7.810 1.00 0.00 N ATOM 502 NH2 ARG A 32 8.542 13.078 -6.795 1.00 0.00 N ATOM 503 OXT ARG A 32 4.413 8.830 -2.050 1.00 0.00 O ATOM 0 H ARG A 32 2.634 10.842 -3.779 1.00 0.00 H new ATOM 0 HA ARG A 32 4.489 9.243 -5.218 1.00 0.00 H new ATOM 0 HB2 ARG A 32 4.880 11.601 -3.330 1.00 0.00 H new ATOM 0 HB3 ARG A 32 6.107 10.959 -4.404 1.00 0.00 H new ATOM 0 HG2 ARG A 32 4.758 11.566 -6.369 1.00 0.00 H new ATOM 0 HG3 ARG A 32 3.452 12.115 -5.337 1.00 0.00 H new ATOM 0 HD2 ARG A 32 4.726 14.048 -6.068 1.00 0.00 H new ATOM 0 HD3 ARG A 32 4.970 13.834 -4.346 1.00 0.00 H new ATOM 0 HE ARG A 32 7.233 13.508 -4.725 1.00 0.00 H new ATOM 0 HH11 ARG A 32 5.464 13.016 -7.754 1.00 0.00 H new ATOM 0 HH12 ARG A 32 6.935 12.795 -8.707 1.00 0.00 H new ATOM 0 HH21 ARG A 32 9.110 13.212 -5.959 1.00 0.00 H new ATOM 0 HH22 ARG A 32 8.991 12.906 -7.694 1.00 0.00 H new TER 517 ARG A 32