USER MOD reduce.3.24.130724 H: found=0, std=0, add=263, rem=0, adj=5 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+ 150:sc= 2.21 (180deg=1.57) USER MOD Single : A 5 TYR OH : rot 180:sc= -1.44 USER MOD Single : A 8 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 10 HIS : no HD1:sc= -0.0905 X(o=-0.091,f=0) USER MOD Single : A 12 LYS NZ :NH3+ -127:sc= 1.92 (180deg=-0.127) USER MOD Single : A 20 THR OG1 : rot 180:sc= 0.0604 USER MOD Single : A 27 TYR OH : rot 180:sc= -0.944 USER MOD ----------------------------------------------------------------- ATOM 1 N GLY A 1 -2.788 11.177 0.602 1.00 0.00 N ATOM 2 CA GLY A 1 -2.085 11.093 1.905 1.00 0.00 C ATOM 3 C GLY A 1 -0.587 10.989 1.714 1.00 0.00 C ATOM 4 O GLY A 1 -0.127 10.302 0.808 1.00 0.00 O ATOM 0 H1 GLY A 1 -3.733 10.752 0.689 1.00 0.00 H new ATOM 0 H2 GLY A 1 -2.881 12.174 0.322 1.00 0.00 H new ATOM 0 H3 GLY A 1 -2.243 10.664 -0.120 1.00 0.00 H new ATOM 0 HA2 GLY A 1 -2.317 11.974 2.504 1.00 0.00 H new ATOM 0 HA3 GLY A 1 -2.444 10.226 2.460 1.00 0.00 H new ATOM 10 N LEU A 2 0.171 11.685 2.548 1.00 0.00 N ATOM 11 CA LEU A 2 1.627 11.671 2.445 1.00 0.00 C ATOM 12 C LEU A 2 2.206 10.362 2.974 1.00 0.00 C ATOM 13 O LEU A 2 3.077 9.763 2.350 1.00 0.00 O ATOM 14 CB LEU A 2 2.243 12.854 3.207 1.00 0.00 C ATOM 15 CG LEU A 2 2.081 14.235 2.554 1.00 0.00 C ATOM 16 CD1 LEU A 2 2.532 14.200 1.101 1.00 0.00 C ATOM 17 CD2 LEU A 2 0.646 14.733 2.663 1.00 0.00 C ATOM 0 H LEU A 2 -0.194 12.266 3.303 1.00 0.00 H new ATOM 0 HA LEU A 2 1.878 11.761 1.388 1.00 0.00 H new ATOM 0 HB2 LEU A 2 1.799 12.890 4.202 1.00 0.00 H new ATOM 0 HB3 LEU A 2 3.307 12.660 3.340 1.00 0.00 H new ATOM 0 HG LEU A 2 2.718 14.936 3.094 1.00 0.00 H new ATOM 0 HD11 LEU A 2 2.409 15.188 0.658 1.00 0.00 H new ATOM 0 HD12 LEU A 2 3.581 13.909 1.053 1.00 0.00 H new ATOM 0 HD13 LEU A 2 1.929 13.478 0.550 1.00 0.00 H new ATOM 0 HD21 LEU A 2 0.564 15.712 2.192 1.00 0.00 H new ATOM 0 HD22 LEU A 2 -0.021 14.032 2.162 1.00 0.00 H new ATOM 0 HD23 LEU A 2 0.367 14.811 3.714 1.00 0.00 H new ATOM 29 N LEU A 3 1.721 9.933 4.130 1.00 0.00 N ATOM 30 CA LEU A 3 2.200 8.703 4.748 1.00 0.00 C ATOM 31 C LEU A 3 1.590 7.473 4.083 1.00 0.00 C ATOM 32 O LEU A 3 0.372 7.383 3.916 1.00 0.00 O ATOM 33 CB LEU A 3 1.887 8.687 6.252 1.00 0.00 C ATOM 34 CG LEU A 3 2.713 9.645 7.125 1.00 0.00 C ATOM 35 CD1 LEU A 3 4.199 9.491 6.838 1.00 0.00 C ATOM 36 CD2 LEU A 3 2.272 11.090 6.930 1.00 0.00 C ATOM 0 H LEU A 3 0.996 10.417 4.660 1.00 0.00 H new ATOM 0 HA LEU A 3 3.281 8.671 4.610 1.00 0.00 H new ATOM 0 HB2 LEU A 3 0.832 8.925 6.385 1.00 0.00 H new ATOM 0 HB3 LEU A 3 2.034 7.672 6.622 1.00 0.00 H new ATOM 0 HG LEU A 3 2.536 9.381 8.168 1.00 0.00 H new ATOM 0 HD11 LEU A 3 4.764 10.179 7.467 1.00 0.00 H new ATOM 0 HD12 LEU A 3 4.507 8.467 7.052 1.00 0.00 H new ATOM 0 HD13 LEU A 3 4.392 9.716 5.789 1.00 0.00 H new ATOM 0 HD21 LEU A 3 2.875 11.743 7.561 1.00 0.00 H new ATOM 0 HD22 LEU A 3 2.403 11.373 5.885 1.00 0.00 H new ATOM 0 HD23 LEU A 3 1.222 11.190 7.204 1.00 0.00 H new ATOM 48 N CYS A 4 2.446 6.528 3.724 1.00 0.00 N ATOM 49 CA CYS A 4 2.015 5.287 3.099 1.00 0.00 C ATOM 50 C CYS A 4 1.605 4.288 4.179 1.00 0.00 C ATOM 51 O CYS A 4 1.928 4.477 5.351 1.00 0.00 O ATOM 52 CB CYS A 4 3.141 4.707 2.242 1.00 0.00 C ATOM 53 SG CYS A 4 3.888 5.899 1.083 1.00 0.00 S ATOM 0 H CYS A 4 3.455 6.599 3.857 1.00 0.00 H new ATOM 0 HA CYS A 4 1.160 5.489 2.454 1.00 0.00 H new ATOM 0 HB2 CYS A 4 3.920 4.319 2.899 1.00 0.00 H new ATOM 0 HB3 CYS A 4 2.752 3.861 1.675 1.00 0.00 H new ATOM 58 N TYR A 5 0.894 3.232 3.801 1.00 0.00 N ATOM 59 CA TYR A 5 0.458 2.244 4.781 1.00 0.00 C ATOM 60 C TYR A 5 0.330 0.843 4.198 1.00 0.00 C ATOM 61 O TYR A 5 -0.014 0.652 3.028 1.00 0.00 O ATOM 62 CB TYR A 5 -0.857 2.674 5.451 1.00 0.00 C ATOM 63 CG TYR A 5 -1.897 3.277 4.520 1.00 0.00 C ATOM 64 CD1 TYR A 5 -2.193 2.708 3.287 1.00 0.00 C ATOM 65 CD2 TYR A 5 -2.591 4.422 4.892 1.00 0.00 C ATOM 66 CE1 TYR A 5 -3.147 3.260 2.455 1.00 0.00 C ATOM 67 CE2 TYR A 5 -3.546 4.980 4.065 1.00 0.00 C ATOM 68 CZ TYR A 5 -3.820 4.395 2.848 1.00 0.00 C ATOM 69 OH TYR A 5 -4.772 4.946 2.024 1.00 0.00 O ATOM 0 H TYR A 5 0.611 3.039 2.840 1.00 0.00 H new ATOM 0 HA TYR A 5 1.241 2.198 5.538 1.00 0.00 H new ATOM 0 HB2 TYR A 5 -1.295 1.806 5.943 1.00 0.00 H new ATOM 0 HB3 TYR A 5 -0.627 3.400 6.231 1.00 0.00 H new ATOM 0 HD1 TYR A 5 -1.667 1.818 2.974 1.00 0.00 H new ATOM 0 HD2 TYR A 5 -2.380 4.884 5.845 1.00 0.00 H new ATOM 0 HE1 TYR A 5 -3.364 2.804 1.501 1.00 0.00 H new ATOM 0 HE2 TYR A 5 -4.075 5.870 4.371 1.00 0.00 H new ATOM 0 HH TYR A 5 -5.153 5.742 2.450 1.00 0.00 H new ATOM 79 N CYS A 6 0.617 -0.131 5.048 1.00 0.00 N ATOM 80 CA CYS A 6 0.544 -1.536 4.691 1.00 0.00 C ATOM 81 C CYS A 6 -0.914 -1.989 4.690 1.00 0.00 C ATOM 82 O CYS A 6 -1.637 -1.751 5.661 1.00 0.00 O ATOM 83 CB CYS A 6 1.345 -2.355 5.700 1.00 0.00 C ATOM 84 SG CYS A 6 1.259 -4.153 5.452 1.00 0.00 S ATOM 0 H CYS A 6 0.909 0.034 6.011 1.00 0.00 H new ATOM 0 HA CYS A 6 0.962 -1.684 3.695 1.00 0.00 H new ATOM 0 HB2 CYS A 6 2.389 -2.044 5.654 1.00 0.00 H new ATOM 0 HB3 CYS A 6 0.987 -2.122 6.703 1.00 0.00 H new ATOM 89 N ARG A 7 -1.352 -2.625 3.611 1.00 0.00 N ATOM 90 CA ARG A 7 -2.733 -3.088 3.513 1.00 0.00 C ATOM 91 C ARG A 7 -2.772 -4.555 3.098 1.00 0.00 C ATOM 92 O ARG A 7 -2.045 -4.970 2.200 1.00 0.00 O ATOM 93 CB ARG A 7 -3.527 -2.252 2.495 1.00 0.00 C ATOM 94 CG ARG A 7 -3.364 -0.743 2.643 1.00 0.00 C ATOM 95 CD ARG A 7 -3.690 -0.262 4.050 1.00 0.00 C ATOM 96 NE ARG A 7 -5.097 -0.449 4.407 1.00 0.00 N ATOM 97 CZ ARG A 7 -5.575 -0.252 5.638 1.00 0.00 C ATOM 98 NH1 ARG A 7 -4.744 0.043 6.633 1.00 0.00 N ATOM 99 NH2 ARG A 7 -6.878 -0.369 5.877 1.00 0.00 N ATOM 0 H ARG A 7 -0.776 -2.832 2.795 1.00 0.00 H new ATOM 0 HA ARG A 7 -3.191 -2.973 4.495 1.00 0.00 H new ATOM 0 HB2 ARG A 7 -3.219 -2.540 1.490 1.00 0.00 H new ATOM 0 HB3 ARG A 7 -4.584 -2.500 2.588 1.00 0.00 H new ATOM 0 HG2 ARG A 7 -2.340 -0.464 2.394 1.00 0.00 H new ATOM 0 HG3 ARG A 7 -4.014 -0.238 1.929 1.00 0.00 H new ATOM 0 HD2 ARG A 7 -3.065 -0.798 4.765 1.00 0.00 H new ATOM 0 HD3 ARG A 7 -3.437 0.795 4.134 1.00 0.00 H new ATOM 0 HE ARG A 7 -5.746 -0.745 3.678 1.00 0.00 H new ATOM 0 HH11 ARG A 7 -3.742 0.119 6.456 1.00 0.00 H new ATOM 0 HH12 ARG A 7 -5.108 0.194 7.574 1.00 0.00 H new ATOM 0 HH21 ARG A 7 -7.516 -0.610 5.119 1.00 0.00 H new ATOM 0 HH22 ARG A 7 -7.239 -0.218 6.819 1.00 0.00 H new ATOM 113 N LYS A 8 -3.627 -5.334 3.749 1.00 0.00 N ATOM 114 CA LYS A 8 -3.759 -6.745 3.435 1.00 0.00 C ATOM 115 C LYS A 8 -4.408 -6.919 2.070 1.00 0.00 C ATOM 116 O LYS A 8 -5.487 -6.376 1.801 1.00 0.00 O ATOM 117 CB LYS A 8 -4.577 -7.464 4.513 1.00 0.00 C ATOM 118 CG LYS A 8 -4.733 -8.957 4.267 1.00 0.00 C ATOM 119 CD LYS A 8 -5.479 -9.636 5.403 1.00 0.00 C ATOM 120 CE LYS A 8 -5.570 -11.139 5.190 1.00 0.00 C ATOM 121 NZ LYS A 8 -6.273 -11.819 6.311 1.00 0.00 N ATOM 0 H LYS A 8 -4.238 -5.009 4.498 1.00 0.00 H new ATOM 0 HA LYS A 8 -2.764 -7.190 3.409 1.00 0.00 H new ATOM 0 HB2 LYS A 8 -4.099 -7.312 5.481 1.00 0.00 H new ATOM 0 HB3 LYS A 8 -5.566 -7.009 4.571 1.00 0.00 H new ATOM 0 HG2 LYS A 8 -5.269 -9.118 3.332 1.00 0.00 H new ATOM 0 HG3 LYS A 8 -3.749 -9.412 4.153 1.00 0.00 H new ATOM 0 HD2 LYS A 8 -4.972 -9.431 6.346 1.00 0.00 H new ATOM 0 HD3 LYS A 8 -6.482 -9.217 5.482 1.00 0.00 H new ATOM 0 HE2 LYS A 8 -6.095 -11.342 4.257 1.00 0.00 H new ATOM 0 HE3 LYS A 8 -4.567 -11.552 5.088 1.00 0.00 H new ATOM 0 HZ1 LYS A 8 -6.313 -12.842 6.126 1.00 0.00 H new ATOM 0 HZ2 LYS A 8 -5.758 -11.648 7.198 1.00 0.00 H new ATOM 0 HZ3 LYS A 8 -7.239 -11.444 6.393 1.00 0.00 H new ATOM 135 N GLY A 9 -3.734 -7.669 1.219 1.00 0.00 N ATOM 136 CA GLY A 9 -4.219 -7.915 -0.125 1.00 0.00 C ATOM 137 C GLY A 9 -4.077 -6.693 -1.008 1.00 0.00 C ATOM 138 O GLY A 9 -3.093 -5.967 -0.910 1.00 0.00 O ATOM 0 H GLY A 9 -2.845 -8.120 1.436 1.00 0.00 H new ATOM 0 HA2 GLY A 9 -3.667 -8.746 -0.564 1.00 0.00 H new ATOM 0 HA3 GLY A 9 -5.266 -8.214 -0.084 1.00 0.00 H new ATOM 142 N HIS A 10 -5.066 -6.452 -1.862 1.00 0.00 N ATOM 143 CA HIS A 10 -5.034 -5.290 -2.749 1.00 0.00 C ATOM 144 C HIS A 10 -5.097 -4.003 -1.937 1.00 0.00 C ATOM 145 O HIS A 10 -5.755 -3.957 -0.893 1.00 0.00 O ATOM 146 CB HIS A 10 -6.185 -5.333 -3.761 1.00 0.00 C ATOM 147 CG HIS A 10 -5.948 -6.260 -4.917 1.00 0.00 C ATOM 148 ND1 HIS A 10 -6.858 -6.437 -5.940 1.00 0.00 N ATOM 149 CD2 HIS A 10 -4.894 -7.061 -5.210 1.00 0.00 C ATOM 150 CE1 HIS A 10 -6.374 -7.307 -6.811 1.00 0.00 C ATOM 151 NE2 HIS A 10 -5.186 -7.699 -6.391 1.00 0.00 N ATOM 0 H HIS A 10 -5.894 -7.039 -1.960 1.00 0.00 H new ATOM 0 HA HIS A 10 -4.095 -5.316 -3.302 1.00 0.00 H new ATOM 0 HB2 HIS A 10 -7.096 -5.637 -3.246 1.00 0.00 H new ATOM 0 HB3 HIS A 10 -6.356 -4.327 -4.144 1.00 0.00 H new ATOM 0 HD2 HIS A 10 -3.994 -7.176 -4.625 1.00 0.00 H new ATOM 0 HE1 HIS A 10 -6.867 -7.640 -7.712 1.00 0.00 H new ATOM 0 HE2 HIS A 10 -4.581 -8.368 -6.867 1.00 0.00 H new ATOM 159 N CYS A 11 -4.398 -2.978 -2.414 1.00 0.00 N ATOM 160 CA CYS A 11 -4.342 -1.683 -1.741 1.00 0.00 C ATOM 161 C CYS A 11 -5.723 -1.185 -1.335 1.00 0.00 C ATOM 162 O CYS A 11 -6.692 -1.301 -2.085 1.00 0.00 O ATOM 163 CB CYS A 11 -3.686 -0.643 -2.644 1.00 0.00 C ATOM 164 SG CYS A 11 -1.997 -1.067 -3.169 1.00 0.00 S ATOM 0 H CYS A 11 -3.855 -3.020 -3.276 1.00 0.00 H new ATOM 0 HA CYS A 11 -3.750 -1.823 -0.837 1.00 0.00 H new ATOM 0 HB2 CYS A 11 -4.306 -0.506 -3.530 1.00 0.00 H new ATOM 0 HB3 CYS A 11 -3.662 0.313 -2.120 1.00 0.00 H new ATOM 169 N LYS A 12 -5.795 -0.619 -0.144 1.00 0.00 N ATOM 170 CA LYS A 12 -7.039 -0.080 0.374 1.00 0.00 C ATOM 171 C LYS A 12 -6.931 1.435 0.461 1.00 0.00 C ATOM 172 O LYS A 12 -6.045 1.944 1.146 1.00 0.00 O ATOM 173 CB LYS A 12 -7.340 -0.658 1.763 1.00 0.00 C ATOM 174 CG LYS A 12 -7.417 -2.178 1.811 1.00 0.00 C ATOM 175 CD LYS A 12 -8.585 -2.713 0.997 1.00 0.00 C ATOM 176 CE LYS A 12 -8.771 -4.211 1.200 1.00 0.00 C ATOM 177 NZ LYS A 12 -7.589 -4.994 0.744 1.00 0.00 N ATOM 0 H LYS A 12 -5.000 -0.520 0.487 1.00 0.00 H new ATOM 0 HA LYS A 12 -7.852 -0.355 -0.298 1.00 0.00 H new ATOM 0 HB2 LYS A 12 -6.569 -0.324 2.457 1.00 0.00 H new ATOM 0 HB3 LYS A 12 -8.286 -0.248 2.116 1.00 0.00 H new ATOM 0 HG2 LYS A 12 -6.487 -2.601 1.432 1.00 0.00 H new ATOM 0 HG3 LYS A 12 -7.517 -2.504 2.846 1.00 0.00 H new ATOM 0 HD2 LYS A 12 -9.498 -2.191 1.283 1.00 0.00 H new ATOM 0 HD3 LYS A 12 -8.417 -2.507 -0.060 1.00 0.00 H new ATOM 0 HE2 LYS A 12 -8.952 -4.413 2.256 1.00 0.00 H new ATOM 0 HE3 LYS A 12 -9.655 -4.542 0.656 1.00 0.00 H new ATOM 0 HZ1 LYS A 12 -7.897 -5.734 0.082 1.00 0.00 H new ATOM 0 HZ2 LYS A 12 -6.916 -4.361 0.266 1.00 0.00 H new ATOM 0 HZ3 LYS A 12 -7.127 -5.435 1.565 1.00 0.00 H new ATOM 191 N ARG A 13 -7.822 2.134 -0.245 1.00 0.00 N ATOM 192 CA ARG A 13 -7.854 3.605 -0.281 1.00 0.00 C ATOM 193 C ARG A 13 -6.675 4.186 -1.076 1.00 0.00 C ATOM 194 O ARG A 13 -6.871 5.049 -1.927 1.00 0.00 O ATOM 195 CB ARG A 13 -7.887 4.196 1.137 1.00 0.00 C ATOM 196 CG ARG A 13 -7.950 5.718 1.171 1.00 0.00 C ATOM 197 CD ARG A 13 -9.213 6.243 0.504 1.00 0.00 C ATOM 198 NE ARG A 13 -10.427 5.821 1.210 1.00 0.00 N ATOM 199 CZ ARG A 13 -11.664 6.094 0.792 1.00 0.00 C ATOM 200 NH1 ARG A 13 -11.852 6.771 -0.337 1.00 0.00 N ATOM 201 NH2 ARG A 13 -12.712 5.687 1.502 1.00 0.00 N ATOM 0 H ARG A 13 -8.548 1.697 -0.813 1.00 0.00 H new ATOM 0 HA ARG A 13 -8.773 3.888 -0.795 1.00 0.00 H new ATOM 0 HB2 ARG A 13 -8.751 3.795 1.667 1.00 0.00 H new ATOM 0 HB3 ARG A 13 -7.000 3.867 1.678 1.00 0.00 H new ATOM 0 HG2 ARG A 13 -7.915 6.061 2.205 1.00 0.00 H new ATOM 0 HG3 ARG A 13 -7.075 6.130 0.669 1.00 0.00 H new ATOM 0 HD2 ARG A 13 -9.176 7.332 0.466 1.00 0.00 H new ATOM 0 HD3 ARG A 13 -9.252 5.889 -0.526 1.00 0.00 H new ATOM 0 HE ARG A 13 -10.319 5.287 2.072 1.00 0.00 H new ATOM 0 HH11 ARG A 13 -11.050 7.082 -0.885 1.00 0.00 H new ATOM 0 HH12 ARG A 13 -12.798 6.979 -0.655 1.00 0.00 H new ATOM 0 HH21 ARG A 13 -12.570 5.166 2.367 1.00 0.00 H new ATOM 0 HH22 ARG A 13 -13.657 5.896 1.182 1.00 0.00 H new ATOM 215 N GLY A 14 -5.466 3.712 -0.787 1.00 0.00 N ATOM 216 CA GLY A 14 -4.278 4.195 -1.474 1.00 0.00 C ATOM 217 C GLY A 14 -4.336 3.972 -2.972 1.00 0.00 C ATOM 218 O GLY A 14 -3.948 4.843 -3.753 1.00 0.00 O ATOM 0 H GLY A 14 -5.286 2.996 -0.083 1.00 0.00 H new ATOM 0 HA2 GLY A 14 -4.155 5.259 -1.274 1.00 0.00 H new ATOM 0 HA3 GLY A 14 -3.400 3.691 -1.070 1.00 0.00 H new ATOM 222 N GLY A 15 -4.832 2.806 -3.367 1.00 0.00 N ATOM 223 CA GLY A 15 -4.959 2.473 -4.774 1.00 0.00 C ATOM 224 C GLY A 15 -3.647 2.079 -5.431 1.00 0.00 C ATOM 225 O GLY A 15 -3.538 0.997 -6.005 1.00 0.00 O ATOM 0 H GLY A 15 -5.152 2.077 -2.730 1.00 0.00 H new ATOM 0 HA2 GLY A 15 -5.669 1.653 -4.881 1.00 0.00 H new ATOM 0 HA3 GLY A 15 -5.378 3.328 -5.304 1.00 0.00 H new ATOM 229 N ARG A 16 -2.652 2.953 -5.365 1.00 0.00 N ATOM 230 CA ARG A 16 -1.364 2.674 -5.976 1.00 0.00 C ATOM 231 C ARG A 16 -0.427 1.968 -5.003 1.00 0.00 C ATOM 232 O ARG A 16 -0.086 2.497 -3.941 1.00 0.00 O ATOM 233 CB ARG A 16 -0.722 3.964 -6.495 1.00 0.00 C ATOM 234 CG ARG A 16 0.547 3.730 -7.306 1.00 0.00 C ATOM 235 CD ARG A 16 0.309 2.746 -8.447 1.00 0.00 C ATOM 236 NE ARG A 16 -0.685 3.230 -9.411 1.00 0.00 N ATOM 237 CZ ARG A 16 -0.442 4.156 -10.344 1.00 0.00 C ATOM 238 NH1 ARG A 16 0.781 4.661 -10.485 1.00 0.00 N ATOM 239 NH2 ARG A 16 -1.421 4.561 -11.149 1.00 0.00 N ATOM 0 H ARG A 16 -2.713 3.857 -4.896 1.00 0.00 H new ATOM 0 HA ARG A 16 -1.536 2.005 -6.819 1.00 0.00 H new ATOM 0 HB2 ARG A 16 -1.445 4.497 -7.113 1.00 0.00 H new ATOM 0 HB3 ARG A 16 -0.488 4.610 -5.649 1.00 0.00 H new ATOM 0 HG2 ARG A 16 0.902 4.678 -7.710 1.00 0.00 H new ATOM 0 HG3 ARG A 16 1.332 3.348 -6.653 1.00 0.00 H new ATOM 0 HD2 ARG A 16 1.250 2.560 -8.964 1.00 0.00 H new ATOM 0 HD3 ARG A 16 -0.023 1.792 -8.036 1.00 0.00 H new ATOM 0 HE ARG A 16 -1.624 2.834 -9.366 1.00 0.00 H new ATOM 0 HH11 ARG A 16 1.537 4.342 -9.880 1.00 0.00 H new ATOM 0 HH12 ARG A 16 0.962 5.367 -11.198 1.00 0.00 H new ATOM 0 HH21 ARG A 16 -2.356 4.165 -11.054 1.00 0.00 H new ATOM 0 HH22 ARG A 16 -1.236 5.268 -11.861 1.00 0.00 H new ATOM 253 N VAL A 17 -0.017 0.771 -5.390 1.00 0.00 N ATOM 254 CA VAL A 17 0.886 -0.039 -4.588 1.00 0.00 C ATOM 255 C VAL A 17 2.302 0.530 -4.616 1.00 0.00 C ATOM 256 O VAL A 17 2.801 0.958 -5.659 1.00 0.00 O ATOM 257 CB VAL A 17 0.895 -1.514 -5.063 1.00 0.00 C ATOM 258 CG1 VAL A 17 1.216 -1.612 -6.549 1.00 0.00 C ATOM 259 CG2 VAL A 17 1.871 -2.350 -4.249 1.00 0.00 C ATOM 0 H VAL A 17 -0.300 0.334 -6.267 1.00 0.00 H new ATOM 0 HA VAL A 17 0.520 -0.013 -3.562 1.00 0.00 H new ATOM 0 HB VAL A 17 -0.107 -1.914 -4.905 1.00 0.00 H new ATOM 0 HG11 VAL A 17 1.215 -2.659 -6.853 1.00 0.00 H new ATOM 0 HG12 VAL A 17 0.464 -1.067 -7.120 1.00 0.00 H new ATOM 0 HG13 VAL A 17 2.199 -1.180 -6.738 1.00 0.00 H new ATOM 0 HG21 VAL A 17 1.854 -3.380 -4.606 1.00 0.00 H new ATOM 0 HG22 VAL A 17 2.877 -1.944 -4.358 1.00 0.00 H new ATOM 0 HG23 VAL A 17 1.582 -2.326 -3.198 1.00 0.00 H new ATOM 269 N ARG A 18 2.935 0.527 -3.461 1.00 0.00 N ATOM 270 CA ARG A 18 4.289 1.020 -3.317 1.00 0.00 C ATOM 271 C ARG A 18 5.261 -0.155 -3.334 1.00 0.00 C ATOM 272 O ARG A 18 6.403 -0.027 -3.780 1.00 0.00 O ATOM 273 CB ARG A 18 4.418 1.817 -2.014 1.00 0.00 C ATOM 274 CG ARG A 18 5.775 2.477 -1.802 1.00 0.00 C ATOM 275 CD ARG A 18 6.144 3.408 -2.947 1.00 0.00 C ATOM 276 NE ARG A 18 6.696 2.680 -4.093 1.00 0.00 N ATOM 277 CZ ARG A 18 7.188 3.257 -5.186 1.00 0.00 C ATOM 278 NH1 ARG A 18 7.239 4.583 -5.279 1.00 0.00 N ATOM 279 NH2 ARG A 18 7.641 2.505 -6.183 1.00 0.00 N ATOM 0 H ARG A 18 2.524 0.182 -2.594 1.00 0.00 H new ATOM 0 HA ARG A 18 4.529 1.684 -4.148 1.00 0.00 H new ATOM 0 HB2 ARG A 18 3.648 2.588 -1.998 1.00 0.00 H new ATOM 0 HB3 ARG A 18 4.219 1.150 -1.175 1.00 0.00 H new ATOM 0 HG2 ARG A 18 5.762 3.039 -0.868 1.00 0.00 H new ATOM 0 HG3 ARG A 18 6.540 1.707 -1.700 1.00 0.00 H new ATOM 0 HD2 ARG A 18 5.260 3.963 -3.262 1.00 0.00 H new ATOM 0 HD3 ARG A 18 6.872 4.140 -2.598 1.00 0.00 H new ATOM 0 HE ARG A 18 6.703 1.661 -4.050 1.00 0.00 H new ATOM 0 HH11 ARG A 18 6.900 5.162 -4.510 1.00 0.00 H new ATOM 0 HH12 ARG A 18 7.617 5.021 -6.119 1.00 0.00 H new ATOM 0 HH21 ARG A 18 7.611 1.488 -6.109 1.00 0.00 H new ATOM 0 HH22 ARG A 18 8.019 2.944 -7.022 1.00 0.00 H new ATOM 293 N GLY A 19 4.790 -1.296 -2.851 1.00 0.00 N ATOM 294 CA GLY A 19 5.606 -2.492 -2.812 1.00 0.00 C ATOM 295 C GLY A 19 4.935 -3.599 -2.027 1.00 0.00 C ATOM 296 O GLY A 19 3.757 -3.497 -1.692 1.00 0.00 O ATOM 0 H GLY A 19 3.847 -1.414 -2.482 1.00 0.00 H new ATOM 0 HA2 GLY A 19 5.802 -2.833 -3.829 1.00 0.00 H new ATOM 0 HA3 GLY A 19 6.571 -2.260 -2.362 1.00 0.00 H new ATOM 300 N THR A 20 5.674 -4.650 -1.725 1.00 0.00 N ATOM 301 CA THR A 20 5.136 -5.767 -0.969 1.00 0.00 C ATOM 302 C THR A 20 5.300 -5.547 0.534 1.00 0.00 C ATOM 303 O THR A 20 6.313 -5.016 0.985 1.00 0.00 O ATOM 304 CB THR A 20 5.819 -7.083 -1.382 1.00 0.00 C ATOM 305 OG1 THR A 20 7.209 -6.845 -1.645 1.00 0.00 O ATOM 306 CG2 THR A 20 5.156 -7.675 -2.616 1.00 0.00 C ATOM 0 H THR A 20 6.653 -4.754 -1.993 1.00 0.00 H new ATOM 0 HA THR A 20 4.072 -5.834 -1.194 1.00 0.00 H new ATOM 0 HB THR A 20 5.718 -7.795 -0.563 1.00 0.00 H new ATOM 0 HG1 THR A 20 7.641 -7.685 -1.906 1.00 0.00 H new ATOM 0 HG21 THR A 20 5.657 -8.604 -2.888 1.00 0.00 H new ATOM 0 HG22 THR A 20 4.106 -7.877 -2.403 1.00 0.00 H new ATOM 0 HG23 THR A 20 5.229 -6.968 -3.443 1.00 0.00 H new ATOM 314 N CYS A 21 4.305 -5.962 1.304 1.00 0.00 N ATOM 315 CA CYS A 21 4.349 -5.819 2.751 1.00 0.00 C ATOM 316 C CYS A 21 4.407 -7.203 3.392 1.00 0.00 C ATOM 317 O CYS A 21 3.659 -7.517 4.314 1.00 0.00 O ATOM 318 CB CYS A 21 3.132 -5.041 3.250 1.00 0.00 C ATOM 319 SG CYS A 21 3.175 -4.654 5.028 1.00 0.00 S ATOM 0 H CYS A 21 3.456 -6.401 0.949 1.00 0.00 H new ATOM 0 HA CYS A 21 5.241 -5.258 3.032 1.00 0.00 H new ATOM 0 HB2 CYS A 21 3.054 -4.110 2.688 1.00 0.00 H new ATOM 0 HB3 CYS A 21 2.233 -5.618 3.036 1.00 0.00 H new ATOM 324 N GLY A 22 5.292 -8.039 2.876 1.00 0.00 N ATOM 325 CA GLY A 22 5.419 -9.385 3.389 1.00 0.00 C ATOM 326 C GLY A 22 4.533 -10.360 2.642 1.00 0.00 C ATOM 327 O GLY A 22 4.440 -10.306 1.415 1.00 0.00 O ATOM 0 H GLY A 22 5.925 -7.809 2.110 1.00 0.00 H new ATOM 0 HA2 GLY A 22 6.458 -9.706 3.312 1.00 0.00 H new ATOM 0 HA3 GLY A 22 5.159 -9.396 4.448 1.00 0.00 H new ATOM 331 N ILE A 23 3.885 -11.255 3.373 1.00 0.00 N ATOM 332 CA ILE A 23 3.012 -12.247 2.758 1.00 0.00 C ATOM 333 C ILE A 23 1.543 -11.833 2.819 1.00 0.00 C ATOM 334 O ILE A 23 1.016 -11.529 3.887 1.00 0.00 O ATOM 335 CB ILE A 23 3.184 -13.637 3.410 1.00 0.00 C ATOM 336 CG1 ILE A 23 3.059 -13.543 4.936 1.00 0.00 C ATOM 337 CG2 ILE A 23 4.526 -14.239 3.016 1.00 0.00 C ATOM 338 CD1 ILE A 23 3.110 -14.884 5.637 1.00 0.00 C ATOM 0 H ILE A 23 3.946 -11.316 4.389 1.00 0.00 H new ATOM 0 HA ILE A 23 3.310 -12.308 1.711 1.00 0.00 H new ATOM 0 HB ILE A 23 2.390 -14.290 3.048 1.00 0.00 H new ATOM 0 HG12 ILE A 23 3.862 -12.913 5.319 1.00 0.00 H new ATOM 0 HG13 ILE A 23 2.120 -13.049 5.185 1.00 0.00 H new ATOM 0 HG21 ILE A 23 4.636 -15.218 3.481 1.00 0.00 H new ATOM 0 HG22 ILE A 23 4.573 -14.345 1.932 1.00 0.00 H new ATOM 0 HG23 ILE A 23 5.331 -13.585 3.352 1.00 0.00 H new ATOM 0 HD11 ILE A 23 3.016 -14.736 6.713 1.00 0.00 H new ATOM 0 HD12 ILE A 23 2.291 -15.511 5.284 1.00 0.00 H new ATOM 0 HD13 ILE A 23 4.060 -15.372 5.420 1.00 0.00 H new ATOM 350 N ARG A 24 0.896 -11.841 1.652 1.00 0.00 N ATOM 351 CA ARG A 24 -0.524 -11.489 1.515 1.00 0.00 C ATOM 352 C ARG A 24 -0.811 -10.049 1.947 1.00 0.00 C ATOM 353 O ARG A 24 -1.958 -9.698 2.234 1.00 0.00 O ATOM 354 CB ARG A 24 -1.402 -12.455 2.322 1.00 0.00 C ATOM 355 CG ARG A 24 -1.305 -13.906 1.869 1.00 0.00 C ATOM 356 CD ARG A 24 -1.822 -14.088 0.450 1.00 0.00 C ATOM 357 NE ARG A 24 -1.752 -15.486 0.017 1.00 0.00 N ATOM 358 CZ ARG A 24 -2.159 -15.924 -1.177 1.00 0.00 C ATOM 359 NH1 ARG A 24 -2.681 -15.075 -2.058 1.00 0.00 N ATOM 360 NH2 ARG A 24 -2.049 -17.212 -1.487 1.00 0.00 N ATOM 0 H ARG A 24 1.342 -12.093 0.770 1.00 0.00 H new ATOM 0 HA ARG A 24 -0.767 -11.573 0.456 1.00 0.00 H new ATOM 0 HB2 ARG A 24 -1.120 -12.394 3.373 1.00 0.00 H new ATOM 0 HB3 ARG A 24 -2.440 -12.132 2.251 1.00 0.00 H new ATOM 0 HG2 ARG A 24 -0.267 -14.236 1.923 1.00 0.00 H new ATOM 0 HG3 ARG A 24 -1.876 -14.538 2.548 1.00 0.00 H new ATOM 0 HD2 ARG A 24 -2.854 -13.742 0.393 1.00 0.00 H new ATOM 0 HD3 ARG A 24 -1.239 -13.468 -0.231 1.00 0.00 H new ATOM 0 HE ARG A 24 -1.367 -16.169 0.670 1.00 0.00 H new ATOM 0 HH11 ARG A 24 -2.771 -14.087 -1.822 1.00 0.00 H new ATOM 0 HH12 ARG A 24 -2.991 -15.412 -2.969 1.00 0.00 H new ATOM 0 HH21 ARG A 24 -1.653 -17.867 -0.812 1.00 0.00 H new ATOM 0 HH22 ARG A 24 -2.360 -17.545 -2.399 1.00 0.00 H new ATOM 374 N PHE A 25 0.220 -9.217 1.967 1.00 0.00 N ATOM 375 CA PHE A 25 0.075 -7.819 2.343 1.00 0.00 C ATOM 376 C PHE A 25 0.827 -6.943 1.356 1.00 0.00 C ATOM 377 O PHE A 25 1.932 -7.285 0.929 1.00 0.00 O ATOM 378 CB PHE A 25 0.606 -7.560 3.760 1.00 0.00 C ATOM 379 CG PHE A 25 -0.352 -7.902 4.871 1.00 0.00 C ATOM 380 CD1 PHE A 25 -0.735 -9.213 5.111 1.00 0.00 C ATOM 381 CD2 PHE A 25 -0.869 -6.901 5.676 1.00 0.00 C ATOM 382 CE1 PHE A 25 -1.614 -9.516 6.133 1.00 0.00 C ATOM 383 CE2 PHE A 25 -1.748 -7.198 6.699 1.00 0.00 C ATOM 384 CZ PHE A 25 -2.123 -8.507 6.928 1.00 0.00 C ATOM 0 H PHE A 25 1.173 -9.489 1.725 1.00 0.00 H new ATOM 0 HA PHE A 25 -0.987 -7.576 2.326 1.00 0.00 H new ATOM 0 HB2 PHE A 25 1.521 -8.135 3.900 1.00 0.00 H new ATOM 0 HB3 PHE A 25 0.875 -6.507 3.844 1.00 0.00 H new ATOM 0 HD1 PHE A 25 -0.342 -10.006 4.492 1.00 0.00 H new ATOM 0 HD2 PHE A 25 -0.581 -5.875 5.502 1.00 0.00 H new ATOM 0 HE1 PHE A 25 -1.903 -10.541 6.310 1.00 0.00 H new ATOM 0 HE2 PHE A 25 -2.142 -6.407 7.320 1.00 0.00 H new ATOM 0 HZ PHE A 25 -2.812 -8.741 7.726 1.00 0.00 H new ATOM 394 N LEU A 26 0.232 -5.823 0.995 1.00 0.00 N ATOM 395 CA LEU A 26 0.851 -4.900 0.060 1.00 0.00 C ATOM 396 C LEU A 26 1.013 -3.529 0.694 1.00 0.00 C ATOM 397 O LEU A 26 0.097 -3.005 1.327 1.00 0.00 O ATOM 398 CB LEU A 26 0.030 -4.777 -1.231 1.00 0.00 C ATOM 399 CG LEU A 26 0.270 -5.862 -2.292 1.00 0.00 C ATOM 400 CD1 LEU A 26 -0.244 -7.218 -1.831 1.00 0.00 C ATOM 401 CD2 LEU A 26 -0.387 -5.465 -3.605 1.00 0.00 C ATOM 0 H LEU A 26 -0.683 -5.528 1.336 1.00 0.00 H new ATOM 0 HA LEU A 26 1.833 -5.299 -0.193 1.00 0.00 H new ATOM 0 HB2 LEU A 26 -1.027 -4.784 -0.967 1.00 0.00 H new ATOM 0 HB3 LEU A 26 0.240 -3.806 -1.680 1.00 0.00 H new ATOM 0 HG LEU A 26 1.346 -5.950 -2.443 1.00 0.00 H new ATOM 0 HD11 LEU A 26 -0.057 -7.961 -2.607 1.00 0.00 H new ATOM 0 HD12 LEU A 26 0.272 -7.511 -0.916 1.00 0.00 H new ATOM 0 HD13 LEU A 26 -1.315 -7.155 -1.639 1.00 0.00 H new ATOM 0 HD21 LEU A 26 -0.210 -6.241 -4.350 1.00 0.00 H new ATOM 0 HD22 LEU A 26 -1.460 -5.345 -3.453 1.00 0.00 H new ATOM 0 HD23 LEU A 26 0.038 -4.524 -3.954 1.00 0.00 H new ATOM 413 N TYR A 27 2.176 -2.944 0.497 1.00 0.00 N ATOM 414 CA TYR A 27 2.466 -1.620 1.011 1.00 0.00 C ATOM 415 C TYR A 27 2.048 -0.619 -0.053 1.00 0.00 C ATOM 416 O TYR A 27 2.495 -0.720 -1.190 1.00 0.00 O ATOM 417 CB TYR A 27 3.961 -1.496 1.319 1.00 0.00 C ATOM 418 CG TYR A 27 4.346 -0.234 2.055 1.00 0.00 C ATOM 419 CD1 TYR A 27 3.703 0.132 3.230 1.00 0.00 C ATOM 420 CD2 TYR A 27 5.358 0.588 1.577 1.00 0.00 C ATOM 421 CE1 TYR A 27 4.058 1.282 3.908 1.00 0.00 C ATOM 422 CE2 TYR A 27 5.718 1.740 2.248 1.00 0.00 C ATOM 423 CZ TYR A 27 5.065 2.082 3.413 1.00 0.00 C ATOM 424 OH TYR A 27 5.419 3.229 4.084 1.00 0.00 O ATOM 0 H TYR A 27 2.944 -3.370 -0.021 1.00 0.00 H new ATOM 0 HA TYR A 27 1.923 -1.432 1.937 1.00 0.00 H new ATOM 0 HB2 TYR A 27 4.269 -2.356 1.913 1.00 0.00 H new ATOM 0 HB3 TYR A 27 4.517 -1.539 0.382 1.00 0.00 H new ATOM 0 HD1 TYR A 27 2.913 -0.492 3.620 1.00 0.00 H new ATOM 0 HD2 TYR A 27 5.872 0.322 0.665 1.00 0.00 H new ATOM 0 HE1 TYR A 27 3.549 1.553 4.821 1.00 0.00 H new ATOM 0 HE2 TYR A 27 6.506 2.369 1.862 1.00 0.00 H new ATOM 0 HH TYR A 27 6.146 3.678 3.604 1.00 0.00 H new ATOM 434 N CYS A 28 1.169 0.310 0.279 1.00 0.00 N ATOM 435 CA CYS A 28 0.699 1.261 -0.719 1.00 0.00 C ATOM 436 C CYS A 28 0.666 2.683 -0.184 1.00 0.00 C ATOM 437 O CYS A 28 0.501 2.908 1.016 1.00 0.00 O ATOM 438 CB CYS A 28 -0.695 0.862 -1.205 1.00 0.00 C ATOM 439 SG CYS A 28 -0.918 -0.932 -1.457 1.00 0.00 S ATOM 0 H CYS A 28 0.772 0.428 1.211 1.00 0.00 H new ATOM 0 HA CYS A 28 1.404 1.236 -1.550 1.00 0.00 H new ATOM 0 HB2 CYS A 28 -1.432 1.210 -0.482 1.00 0.00 H new ATOM 0 HB3 CYS A 28 -0.901 1.377 -2.143 1.00 0.00 H new ATOM 444 N CYS A 29 0.811 3.638 -1.091 1.00 0.00 N ATOM 445 CA CYS A 29 0.786 5.048 -0.736 1.00 0.00 C ATOM 446 C CYS A 29 -0.488 5.690 -1.276 1.00 0.00 C ATOM 447 O CYS A 29 -0.768 5.618 -2.473 1.00 0.00 O ATOM 448 CB CYS A 29 2.017 5.759 -1.300 1.00 0.00 C ATOM 449 SG CYS A 29 3.601 5.055 -0.741 1.00 0.00 S ATOM 0 H CYS A 29 0.948 3.459 -2.086 1.00 0.00 H new ATOM 0 HA CYS A 29 0.801 5.142 0.350 1.00 0.00 H new ATOM 0 HB2 CYS A 29 1.979 5.721 -2.389 1.00 0.00 H new ATOM 0 HB3 CYS A 29 1.978 6.811 -1.016 1.00 0.00 H new ATOM 454 N PRO A 30 -1.288 6.309 -0.397 1.00 0.00 N ATOM 455 CA PRO A 30 -2.547 6.947 -0.790 1.00 0.00 C ATOM 456 C PRO A 30 -2.341 8.196 -1.643 1.00 0.00 C ATOM 457 O PRO A 30 -1.880 9.231 -1.154 1.00 0.00 O ATOM 458 CB PRO A 30 -3.196 7.317 0.547 1.00 0.00 C ATOM 459 CG PRO A 30 -2.065 7.411 1.513 1.00 0.00 C ATOM 460 CD PRO A 30 -1.036 6.418 1.051 1.00 0.00 C ATOM 0 HA PRO A 30 -3.153 6.284 -1.408 1.00 0.00 H new ATOM 0 HB2 PRO A 30 -3.734 8.262 0.476 1.00 0.00 H new ATOM 0 HB3 PRO A 30 -3.918 6.562 0.857 1.00 0.00 H new ATOM 0 HG2 PRO A 30 -1.652 8.420 1.532 1.00 0.00 H new ATOM 0 HG3 PRO A 30 -2.398 7.184 2.526 1.00 0.00 H new ATOM 0 HD2 PRO A 30 -0.023 6.764 1.257 1.00 0.00 H new ATOM 0 HD3 PRO A 30 -1.152 5.457 1.552 1.00 0.00 H new ATOM 468 N ARG A 31 -2.710 8.111 -2.913 1.00 0.00 N ATOM 469 CA ARG A 31 -2.584 9.247 -3.814 1.00 0.00 C ATOM 470 C ARG A 31 -3.855 10.099 -3.751 1.00 0.00 C ATOM 471 O ARG A 31 -4.310 10.659 -4.747 1.00 0.00 O ATOM 472 CB ARG A 31 -2.289 8.773 -5.245 1.00 0.00 C ATOM 473 CG ARG A 31 -1.902 9.893 -6.204 1.00 0.00 C ATOM 474 CD ARG A 31 -0.878 10.839 -5.584 1.00 0.00 C ATOM 475 NE ARG A 31 0.391 10.173 -5.268 1.00 0.00 N ATOM 476 CZ ARG A 31 1.311 9.840 -6.175 1.00 0.00 C ATOM 477 NH1 ARG A 31 1.127 10.136 -7.459 1.00 0.00 N ATOM 478 NH2 ARG A 31 2.425 9.222 -5.793 1.00 0.00 N ATOM 0 H ARG A 31 -3.098 7.270 -3.341 1.00 0.00 H new ATOM 0 HA ARG A 31 -1.743 9.865 -3.499 1.00 0.00 H new ATOM 0 HB2 ARG A 31 -1.483 8.040 -5.215 1.00 0.00 H new ATOM 0 HB3 ARG A 31 -3.169 8.262 -5.636 1.00 0.00 H new ATOM 0 HG2 ARG A 31 -1.493 9.464 -7.119 1.00 0.00 H new ATOM 0 HG3 ARG A 31 -2.793 10.455 -6.486 1.00 0.00 H new ATOM 0 HD2 ARG A 31 -0.689 11.664 -6.271 1.00 0.00 H new ATOM 0 HD3 ARG A 31 -1.293 11.271 -4.673 1.00 0.00 H new ATOM 0 HE ARG A 31 0.582 9.950 -4.291 1.00 0.00 H new ATOM 0 HH11 ARG A 31 0.279 10.620 -7.754 1.00 0.00 H new ATOM 0 HH12 ARG A 31 1.834 9.879 -8.148 1.00 0.00 H new ATOM 0 HH21 ARG A 31 2.575 9.003 -4.808 1.00 0.00 H new ATOM 0 HH22 ARG A 31 3.129 8.967 -6.485 1.00 0.00 H new ATOM 492 N ARG A 32 -4.405 10.192 -2.552 1.00 0.00 N ATOM 493 CA ARG A 32 -5.604 10.960 -2.291 1.00 0.00 C ATOM 494 C ARG A 32 -5.731 11.156 -0.789 1.00 0.00 C ATOM 495 O ARG A 32 -6.384 12.121 -0.364 1.00 0.00 O ATOM 496 CB ARG A 32 -6.841 10.245 -2.851 1.00 0.00 C ATOM 497 CG ARG A 32 -8.133 11.032 -2.686 1.00 0.00 C ATOM 498 CD ARG A 32 -8.018 12.426 -3.286 1.00 0.00 C ATOM 499 NE ARG A 32 -9.247 13.207 -3.116 1.00 0.00 N ATOM 500 CZ ARG A 32 -10.371 12.999 -3.806 1.00 0.00 C ATOM 501 NH1 ARG A 32 -10.413 12.069 -4.757 1.00 0.00 N ATOM 502 NH2 ARG A 32 -11.451 13.735 -3.553 1.00 0.00 N ATOM 503 OXT ARG A 32 -5.127 10.347 -0.046 1.00 0.00 O ATOM 0 H ARG A 32 -4.025 9.730 -1.726 1.00 0.00 H new ATOM 0 HA ARG A 32 -5.535 11.929 -2.786 1.00 0.00 H new ATOM 0 HB2 ARG A 32 -6.683 10.042 -3.910 1.00 0.00 H new ATOM 0 HB3 ARG A 32 -6.948 9.281 -2.354 1.00 0.00 H new ATOM 0 HG2 ARG A 32 -8.951 10.495 -3.166 1.00 0.00 H new ATOM 0 HG3 ARG A 32 -8.380 11.110 -1.627 1.00 0.00 H new ATOM 0 HD2 ARG A 32 -7.187 12.953 -2.818 1.00 0.00 H new ATOM 0 HD3 ARG A 32 -7.786 12.344 -4.348 1.00 0.00 H new ATOM 0 HE ARG A 32 -9.243 13.958 -2.426 1.00 0.00 H new ATOM 0 HH11 ARG A 32 -9.584 11.511 -4.962 1.00 0.00 H new ATOM 0 HH12 ARG A 32 -11.274 11.914 -5.281 1.00 0.00 H new ATOM 0 HH21 ARG A 32 -11.419 14.457 -2.833 1.00 0.00 H new ATOM 0 HH22 ARG A 32 -12.310 13.577 -4.079 1.00 0.00 H new TER 517 ARG A 32