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 Set 1.1: A 5 TYR OH : rot -10:sc= 1.03 USER MOD Set 1.2: A 12 LYS NZ :NH3+ -112:sc= 1.36 (180deg=0.215) USER MOD Single : A 1 GLY N :NH3+ -113:sc= -0.801 (180deg=-1.1!) USER MOD Single : A 8 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 10 HIS : no HD1:sc=-0.00554 X(o=-0.0055,f=-0.3) USER MOD Single : A 20 THR OG1 : rot 180:sc= 0.0244 USER MOD Single : A 27 TYR OH : rot 180:sc= -0.328 USER MOD ----------------------------------------------------------------- ATOM 1 N GLY A 1 2.174 11.221 -0.100 1.00 0.00 N ATOM 2 CA GLY A 1 3.510 11.665 0.361 1.00 0.00 C ATOM 3 C GLY A 1 4.102 10.705 1.366 1.00 0.00 C ATOM 4 O GLY A 1 3.990 9.490 1.201 1.00 0.00 O ATOM 0 H1 GLY A 1 2.223 10.960 -1.106 1.00 0.00 H new ATOM 0 H2 GLY A 1 1.871 10.397 0.457 1.00 0.00 H new ATOM 0 H3 GLY A 1 1.489 11.994 0.024 1.00 0.00 H new ATOM 0 HA2 GLY A 1 4.179 11.754 -0.495 1.00 0.00 H new ATOM 0 HA3 GLY A 1 3.430 12.656 0.808 1.00 0.00 H new ATOM 10 N LEU A 2 4.718 11.243 2.411 1.00 0.00 N ATOM 11 CA LEU A 2 5.329 10.433 3.463 1.00 0.00 C ATOM 12 C LEU A 2 4.267 9.877 4.415 1.00 0.00 C ATOM 13 O LEU A 2 4.256 10.182 5.605 1.00 0.00 O ATOM 14 CB LEU A 2 6.382 11.245 4.240 1.00 0.00 C ATOM 15 CG LEU A 2 5.884 12.530 4.925 1.00 0.00 C ATOM 16 CD1 LEU A 2 6.818 12.916 6.061 1.00 0.00 C ATOM 17 CD2 LEU A 2 5.781 13.677 3.927 1.00 0.00 C ATOM 0 H LEU A 2 4.809 12.249 2.555 1.00 0.00 H new ATOM 0 HA LEU A 2 5.831 9.591 2.986 1.00 0.00 H new ATOM 0 HB2 LEU A 2 6.819 10.599 5.001 1.00 0.00 H new ATOM 0 HB3 LEU A 2 7.183 11.513 3.552 1.00 0.00 H new ATOM 0 HG LEU A 2 4.890 12.334 5.328 1.00 0.00 H new ATOM 0 HD11 LEU A 2 6.455 13.827 6.537 1.00 0.00 H new ATOM 0 HD12 LEU A 2 6.851 12.111 6.795 1.00 0.00 H new ATOM 0 HD13 LEU A 2 7.819 13.088 5.666 1.00 0.00 H new ATOM 0 HD21 LEU A 2 5.427 14.573 4.437 1.00 0.00 H new ATOM 0 HD22 LEU A 2 6.762 13.871 3.493 1.00 0.00 H new ATOM 0 HD23 LEU A 2 5.080 13.409 3.136 1.00 0.00 H new ATOM 29 N LEU A 3 3.370 9.064 3.876 1.00 0.00 N ATOM 30 CA LEU A 3 2.298 8.468 4.662 1.00 0.00 C ATOM 31 C LEU A 3 1.806 7.174 4.016 1.00 0.00 C ATOM 32 O LEU A 3 0.611 6.983 3.794 1.00 0.00 O ATOM 33 CB LEU A 3 1.139 9.466 4.857 1.00 0.00 C ATOM 34 CG LEU A 3 0.956 10.518 3.752 1.00 0.00 C ATOM 35 CD1 LEU A 3 0.448 9.891 2.464 1.00 0.00 C ATOM 36 CD2 LEU A 3 0.007 11.614 4.215 1.00 0.00 C ATOM 0 H LEU A 3 3.363 8.800 2.891 1.00 0.00 H new ATOM 0 HA LEU A 3 2.696 8.221 5.646 1.00 0.00 H new ATOM 0 HB2 LEU A 3 0.212 8.900 4.948 1.00 0.00 H new ATOM 0 HB3 LEU A 3 1.290 9.986 5.803 1.00 0.00 H new ATOM 0 HG LEU A 3 1.932 10.957 3.547 1.00 0.00 H new ATOM 0 HD11 LEU A 3 0.330 10.664 1.705 1.00 0.00 H new ATOM 0 HD12 LEU A 3 1.163 9.146 2.115 1.00 0.00 H new ATOM 0 HD13 LEU A 3 -0.514 9.413 2.647 1.00 0.00 H new ATOM 0 HD21 LEU A 3 -0.112 12.351 3.421 1.00 0.00 H new ATOM 0 HD22 LEU A 3 -0.963 11.178 4.454 1.00 0.00 H new ATOM 0 HD23 LEU A 3 0.416 12.098 5.102 1.00 0.00 H new ATOM 48 N CYS A 4 2.748 6.287 3.725 1.00 0.00 N ATOM 49 CA CYS A 4 2.432 5.000 3.120 1.00 0.00 C ATOM 50 C CYS A 4 1.773 4.084 4.146 1.00 0.00 C ATOM 51 O CYS A 4 1.902 4.300 5.351 1.00 0.00 O ATOM 52 CB CYS A 4 3.698 4.341 2.576 1.00 0.00 C ATOM 53 SG CYS A 4 4.711 5.424 1.513 1.00 0.00 S ATOM 0 H CYS A 4 3.742 6.436 3.899 1.00 0.00 H new ATOM 0 HA CYS A 4 1.740 5.168 2.295 1.00 0.00 H new ATOM 0 HB2 CYS A 4 4.306 4.003 3.415 1.00 0.00 H new ATOM 0 HB3 CYS A 4 3.417 3.454 2.008 1.00 0.00 H new ATOM 58 N TYR A 5 1.066 3.066 3.676 1.00 0.00 N ATOM 59 CA TYR A 5 0.397 2.146 4.582 1.00 0.00 C ATOM 60 C TYR A 5 0.395 0.714 4.074 1.00 0.00 C ATOM 61 O TYR A 5 0.243 0.446 2.879 1.00 0.00 O ATOM 62 CB TYR A 5 -1.033 2.619 4.893 1.00 0.00 C ATOM 63 CG TYR A 5 -1.866 3.040 3.692 1.00 0.00 C ATOM 64 CD1 TYR A 5 -2.120 2.169 2.638 1.00 0.00 C ATOM 65 CD2 TYR A 5 -2.425 4.309 3.638 1.00 0.00 C ATOM 66 CE1 TYR A 5 -2.898 2.555 1.563 1.00 0.00 C ATOM 67 CE2 TYR A 5 -3.213 4.699 2.571 1.00 0.00 C ATOM 68 CZ TYR A 5 -3.444 3.820 1.535 1.00 0.00 C ATOM 69 OH TYR A 5 -4.245 4.203 0.479 1.00 0.00 O ATOM 0 H TYR A 5 0.942 2.858 2.685 1.00 0.00 H new ATOM 0 HA TYR A 5 0.974 2.149 5.507 1.00 0.00 H new ATOM 0 HB2 TYR A 5 -1.557 1.816 5.411 1.00 0.00 H new ATOM 0 HB3 TYR A 5 -0.975 3.460 5.584 1.00 0.00 H new ATOM 0 HD1 TYR A 5 -1.702 1.173 2.660 1.00 0.00 H new ATOM 0 HD2 TYR A 5 -2.241 5.004 4.444 1.00 0.00 H new ATOM 0 HE1 TYR A 5 -3.077 1.869 0.749 1.00 0.00 H new ATOM 0 HE2 TYR A 5 -3.646 5.688 2.549 1.00 0.00 H new ATOM 0 HH TYR A 5 -4.197 3.528 -0.230 1.00 0.00 H new ATOM 79 N CYS A 6 0.568 -0.197 5.019 1.00 0.00 N ATOM 80 CA CYS A 6 0.581 -1.619 4.746 1.00 0.00 C ATOM 81 C CYS A 6 -0.834 -2.158 4.897 1.00 0.00 C ATOM 82 O CYS A 6 -1.478 -1.928 5.923 1.00 0.00 O ATOM 83 CB CYS A 6 1.520 -2.325 5.722 1.00 0.00 C ATOM 84 SG CYS A 6 1.532 -4.137 5.581 1.00 0.00 S ATOM 0 H CYS A 6 0.704 0.035 6.003 1.00 0.00 H new ATOM 0 HA CYS A 6 0.936 -1.800 3.731 1.00 0.00 H new ATOM 0 HB2 CYS A 6 2.533 -1.954 5.564 1.00 0.00 H new ATOM 0 HB3 CYS A 6 1.236 -2.054 6.739 1.00 0.00 H new ATOM 89 N ARG A 7 -1.335 -2.847 3.884 1.00 0.00 N ATOM 90 CA ARG A 7 -2.691 -3.377 3.935 1.00 0.00 C ATOM 91 C ARG A 7 -2.726 -4.843 3.520 1.00 0.00 C ATOM 92 O ARG A 7 -2.082 -5.244 2.553 1.00 0.00 O ATOM 93 CB ARG A 7 -3.622 -2.566 3.028 1.00 0.00 C ATOM 94 CG ARG A 7 -3.622 -1.066 3.301 1.00 0.00 C ATOM 95 CD ARG A 7 -3.976 -0.747 4.744 1.00 0.00 C ATOM 96 NE ARG A 7 -5.276 -1.300 5.134 1.00 0.00 N ATOM 97 CZ ARG A 7 -5.777 -1.220 6.368 1.00 0.00 C ATOM 98 NH1 ARG A 7 -5.081 -0.627 7.332 1.00 0.00 N ATOM 99 NH2 ARG A 7 -6.967 -1.748 6.639 1.00 0.00 N ATOM 0 H ARG A 7 -0.829 -3.052 3.022 1.00 0.00 H new ATOM 0 HA ARG A 7 -3.035 -3.298 4.966 1.00 0.00 H new ATOM 0 HB2 ARG A 7 -3.334 -2.734 1.990 1.00 0.00 H new ATOM 0 HB3 ARG A 7 -4.638 -2.943 3.142 1.00 0.00 H new ATOM 0 HG2 ARG A 7 -2.639 -0.656 3.070 1.00 0.00 H new ATOM 0 HG3 ARG A 7 -4.335 -0.577 2.637 1.00 0.00 H new ATOM 0 HD2 ARG A 7 -3.203 -1.144 5.402 1.00 0.00 H new ATOM 0 HD3 ARG A 7 -3.987 0.334 4.882 1.00 0.00 H new ATOM 0 HE ARG A 7 -5.830 -1.774 4.420 1.00 0.00 H new ATOM 0 HH11 ARG A 7 -4.163 -0.232 7.129 1.00 0.00 H new ATOM 0 HH12 ARG A 7 -5.465 -0.566 8.275 1.00 0.00 H new ATOM 0 HH21 ARG A 7 -7.497 -2.215 5.903 1.00 0.00 H new ATOM 0 HH22 ARG A 7 -7.349 -1.686 7.583 1.00 0.00 H new ATOM 113 N LYS A 8 -3.490 -5.631 4.262 1.00 0.00 N ATOM 114 CA LYS A 8 -3.634 -7.049 3.994 1.00 0.00 C ATOM 115 C LYS A 8 -4.456 -7.285 2.736 1.00 0.00 C ATOM 116 O LYS A 8 -5.568 -6.770 2.591 1.00 0.00 O ATOM 117 CB LYS A 8 -4.296 -7.741 5.188 1.00 0.00 C ATOM 118 CG LYS A 8 -4.561 -9.224 4.973 1.00 0.00 C ATOM 119 CD LYS A 8 -5.312 -9.827 6.146 1.00 0.00 C ATOM 120 CE LYS A 8 -5.615 -11.299 5.919 1.00 0.00 C ATOM 121 NZ LYS A 8 -6.399 -11.881 7.043 1.00 0.00 N ATOM 0 H LYS A 8 -4.026 -5.303 5.065 1.00 0.00 H new ATOM 0 HA LYS A 8 -2.641 -7.470 3.837 1.00 0.00 H new ATOM 0 HB2 LYS A 8 -3.660 -7.619 6.064 1.00 0.00 H new ATOM 0 HB3 LYS A 8 -5.240 -7.242 5.407 1.00 0.00 H new ATOM 0 HG2 LYS A 8 -5.138 -9.363 4.059 1.00 0.00 H new ATOM 0 HG3 LYS A 8 -3.615 -9.748 4.836 1.00 0.00 H new ATOM 0 HD2 LYS A 8 -4.721 -9.712 7.055 1.00 0.00 H new ATOM 0 HD3 LYS A 8 -6.244 -9.283 6.301 1.00 0.00 H new ATOM 0 HE2 LYS A 8 -6.171 -11.417 4.989 1.00 0.00 H new ATOM 0 HE3 LYS A 8 -4.681 -11.849 5.804 1.00 0.00 H new ATOM 0 HZ1 LYS A 8 -6.586 -12.886 6.852 1.00 0.00 H new ATOM 0 HZ2 LYS A 8 -5.858 -11.791 7.927 1.00 0.00 H new ATOM 0 HZ3 LYS A 8 -7.301 -11.373 7.137 1.00 0.00 H new ATOM 135 N GLY A 9 -3.901 -8.079 1.843 1.00 0.00 N ATOM 136 CA GLY A 9 -4.567 -8.419 0.600 1.00 0.00 C ATOM 137 C GLY A 9 -4.518 -7.311 -0.436 1.00 0.00 C ATOM 138 O GLY A 9 -4.131 -7.544 -1.577 1.00 0.00 O ATOM 0 H GLY A 9 -2.981 -8.505 1.956 1.00 0.00 H new ATOM 0 HA2 GLY A 9 -4.107 -9.315 0.184 1.00 0.00 H new ATOM 0 HA3 GLY A 9 -5.608 -8.663 0.810 1.00 0.00 H new ATOM 142 N HIS A 10 -4.916 -6.107 -0.041 1.00 0.00 N ATOM 143 CA HIS A 10 -4.920 -4.964 -0.947 1.00 0.00 C ATOM 144 C HIS A 10 -5.163 -3.677 -0.172 1.00 0.00 C ATOM 145 O HIS A 10 -5.887 -3.672 0.825 1.00 0.00 O ATOM 146 CB HIS A 10 -5.989 -5.124 -2.042 1.00 0.00 C ATOM 147 CG HIS A 10 -7.405 -5.092 -1.539 1.00 0.00 C ATOM 148 ND1 HIS A 10 -7.927 -6.044 -0.685 1.00 0.00 N ATOM 149 CD2 HIS A 10 -8.405 -4.208 -1.769 1.00 0.00 C ATOM 150 CE1 HIS A 10 -9.184 -5.747 -0.414 1.00 0.00 C ATOM 151 NE2 HIS A 10 -9.498 -4.639 -1.058 1.00 0.00 N ATOM 0 H HIS A 10 -5.241 -5.897 0.903 1.00 0.00 H new ATOM 0 HA HIS A 10 -3.943 -4.916 -1.427 1.00 0.00 H new ATOM 0 HB2 HIS A 10 -5.860 -4.330 -2.777 1.00 0.00 H new ATOM 0 HB3 HIS A 10 -5.822 -6.068 -2.560 1.00 0.00 H new ATOM 0 HD2 HIS A 10 -8.353 -3.329 -2.394 1.00 0.00 H new ATOM 0 HE1 HIS A 10 -9.843 -6.314 0.226 1.00 0.00 H new ATOM 0 HE2 HIS A 10 -10.407 -4.177 -1.032 1.00 0.00 H new ATOM 159 N CYS A 11 -4.557 -2.597 -0.633 1.00 0.00 N ATOM 160 CA CYS A 11 -4.703 -1.302 0.009 1.00 0.00 C ATOM 161 C CYS A 11 -6.137 -0.786 -0.116 1.00 0.00 C ATOM 162 O CYS A 11 -6.804 -1.007 -1.128 1.00 0.00 O ATOM 163 CB CYS A 11 -3.692 -0.313 -0.572 1.00 0.00 C ATOM 164 SG CYS A 11 -1.963 -0.816 -0.268 1.00 0.00 S ATOM 0 H CYS A 11 -3.955 -2.592 -1.456 1.00 0.00 H new ATOM 0 HA CYS A 11 -4.496 -1.411 1.073 1.00 0.00 H new ATOM 0 HB2 CYS A 11 -3.856 -0.220 -1.646 1.00 0.00 H new ATOM 0 HB3 CYS A 11 -3.862 0.672 -0.137 1.00 0.00 H new ATOM 169 N LYS A 12 -6.612 -0.132 0.942 1.00 0.00 N ATOM 170 CA LYS A 12 -7.975 0.392 0.988 1.00 0.00 C ATOM 171 C LYS A 12 -8.218 1.487 -0.050 1.00 0.00 C ATOM 172 O LYS A 12 -7.455 2.452 -0.141 1.00 0.00 O ATOM 173 CB LYS A 12 -8.317 0.913 2.398 1.00 0.00 C ATOM 174 CG LYS A 12 -7.116 1.350 3.240 1.00 0.00 C ATOM 175 CD LYS A 12 -6.385 2.550 2.651 1.00 0.00 C ATOM 176 CE LYS A 12 -7.248 3.806 2.636 1.00 0.00 C ATOM 177 NZ LYS A 12 -6.574 4.929 1.924 1.00 0.00 N ATOM 0 H LYS A 12 -6.068 0.049 1.785 1.00 0.00 H new ATOM 0 HA LYS A 12 -8.635 -0.440 0.744 1.00 0.00 H new ATOM 0 HB2 LYS A 12 -8.999 1.758 2.300 1.00 0.00 H new ATOM 0 HB3 LYS A 12 -8.853 0.132 2.937 1.00 0.00 H new ATOM 0 HG2 LYS A 12 -7.454 1.595 4.247 1.00 0.00 H new ATOM 0 HG3 LYS A 12 -6.420 0.516 3.332 1.00 0.00 H new ATOM 0 HD2 LYS A 12 -5.481 2.741 3.229 1.00 0.00 H new ATOM 0 HD3 LYS A 12 -6.070 2.317 1.634 1.00 0.00 H new ATOM 0 HE2 LYS A 12 -8.200 3.588 2.152 1.00 0.00 H new ATOM 0 HE3 LYS A 12 -7.472 4.106 3.660 1.00 0.00 H new ATOM 0 HZ1 LYS A 12 -6.329 5.675 2.606 1.00 0.00 H new ATOM 0 HZ2 LYS A 12 -5.708 4.580 1.467 1.00 0.00 H new ATOM 0 HZ3 LYS A 12 -7.215 5.317 1.202 1.00 0.00 H new ATOM 191 N ARG A 13 -9.301 1.317 -0.815 1.00 0.00 N ATOM 192 CA ARG A 13 -9.720 2.255 -1.866 1.00 0.00 C ATOM 193 C ARG A 13 -8.759 2.270 -3.054 1.00 0.00 C ATOM 194 O ARG A 13 -9.185 2.128 -4.197 1.00 0.00 O ATOM 195 CB ARG A 13 -9.901 3.674 -1.308 1.00 0.00 C ATOM 196 CG ARG A 13 -11.093 3.809 -0.370 1.00 0.00 C ATOM 197 CD ARG A 13 -12.395 3.420 -1.060 1.00 0.00 C ATOM 198 NE ARG A 13 -12.705 4.287 -2.200 1.00 0.00 N ATOM 199 CZ ARG A 13 -13.157 5.541 -2.095 1.00 0.00 C ATOM 200 NH1 ARG A 13 -13.430 6.061 -0.900 1.00 0.00 N ATOM 201 NH2 ARG A 13 -13.360 6.265 -3.191 1.00 0.00 N ATOM 0 H ARG A 13 -9.921 0.513 -0.722 1.00 0.00 H new ATOM 0 HA ARG A 13 -10.683 1.897 -2.230 1.00 0.00 H new ATOM 0 HB2 ARG A 13 -8.995 3.965 -0.776 1.00 0.00 H new ATOM 0 HB3 ARG A 13 -10.021 4.370 -2.138 1.00 0.00 H new ATOM 0 HG2 ARG A 13 -10.941 3.178 0.505 1.00 0.00 H new ATOM 0 HG3 ARG A 13 -11.162 4.837 -0.014 1.00 0.00 H new ATOM 0 HD2 ARG A 13 -12.328 2.387 -1.401 1.00 0.00 H new ATOM 0 HD3 ARG A 13 -13.212 3.465 -0.340 1.00 0.00 H new ATOM 0 HE ARG A 13 -12.567 3.908 -3.137 1.00 0.00 H new ATOM 0 HH11 ARG A 13 -13.295 5.502 -0.058 1.00 0.00 H new ATOM 0 HH12 ARG A 13 -13.774 7.018 -0.827 1.00 0.00 H new ATOM 0 HH21 ARG A 13 -13.171 5.864 -4.110 1.00 0.00 H new ATOM 0 HH22 ARG A 13 -13.705 7.222 -3.114 1.00 0.00 H new ATOM 215 N GLY A 14 -7.477 2.437 -2.785 1.00 0.00 N ATOM 216 CA GLY A 14 -6.495 2.460 -3.842 1.00 0.00 C ATOM 217 C GLY A 14 -5.174 3.027 -3.377 1.00 0.00 C ATOM 218 O GLY A 14 -4.753 2.800 -2.236 1.00 0.00 O ATOM 0 H GLY A 14 -7.097 2.558 -1.846 1.00 0.00 H new ATOM 0 HA2 GLY A 14 -6.343 1.448 -4.217 1.00 0.00 H new ATOM 0 HA3 GLY A 14 -6.872 3.055 -4.674 1.00 0.00 H new ATOM 222 N GLY A 15 -4.519 3.764 -4.257 1.00 0.00 N ATOM 223 CA GLY A 15 -3.241 4.350 -3.930 1.00 0.00 C ATOM 224 C GLY A 15 -2.150 3.809 -4.821 1.00 0.00 C ATOM 225 O GLY A 15 -2.366 2.844 -5.553 1.00 0.00 O ATOM 0 H GLY A 15 -4.853 3.968 -5.199 1.00 0.00 H new ATOM 0 HA2 GLY A 15 -3.297 5.433 -4.036 1.00 0.00 H new ATOM 0 HA3 GLY A 15 -2.999 4.143 -2.887 1.00 0.00 H new ATOM 229 N ARG A 16 -0.976 4.411 -4.768 1.00 0.00 N ATOM 230 CA ARG A 16 0.127 3.947 -5.582 1.00 0.00 C ATOM 231 C ARG A 16 0.884 2.861 -4.839 1.00 0.00 C ATOM 232 O ARG A 16 1.485 3.113 -3.794 1.00 0.00 O ATOM 233 CB ARG A 16 1.064 5.106 -5.945 1.00 0.00 C ATOM 234 CG ARG A 16 2.394 4.659 -6.539 1.00 0.00 C ATOM 235 CD ARG A 16 2.200 3.770 -7.760 1.00 0.00 C ATOM 236 NE ARG A 16 3.435 3.078 -8.137 1.00 0.00 N ATOM 237 CZ ARG A 16 4.469 3.659 -8.749 1.00 0.00 C ATOM 238 NH1 ARG A 16 4.399 4.935 -9.122 1.00 0.00 N ATOM 239 NH2 ARG A 16 5.569 2.957 -8.999 1.00 0.00 N ATOM 0 H ARG A 16 -0.765 5.214 -4.176 1.00 0.00 H new ATOM 0 HA ARG A 16 -0.269 3.536 -6.511 1.00 0.00 H new ATOM 0 HB2 ARG A 16 0.560 5.759 -6.657 1.00 0.00 H new ATOM 0 HB3 ARG A 16 1.257 5.699 -5.051 1.00 0.00 H new ATOM 0 HG2 ARG A 16 2.980 5.535 -6.817 1.00 0.00 H new ATOM 0 HG3 ARG A 16 2.966 4.119 -5.784 1.00 0.00 H new ATOM 0 HD2 ARG A 16 1.421 3.036 -7.554 1.00 0.00 H new ATOM 0 HD3 ARG A 16 1.853 4.375 -8.598 1.00 0.00 H new ATOM 0 HE ARG A 16 3.510 2.085 -7.917 1.00 0.00 H new ATOM 0 HH11 ARG A 16 3.552 5.474 -8.940 1.00 0.00 H new ATOM 0 HH12 ARG A 16 5.192 5.374 -9.589 1.00 0.00 H new ATOM 0 HH21 ARG A 16 5.622 1.976 -8.723 1.00 0.00 H new ATOM 0 HH22 ARG A 16 6.361 3.399 -9.467 1.00 0.00 H new ATOM 253 N VAL A 17 0.838 1.654 -5.381 1.00 0.00 N ATOM 254 CA VAL A 17 1.512 0.522 -4.773 1.00 0.00 C ATOM 255 C VAL A 17 3.015 0.756 -4.768 1.00 0.00 C ATOM 256 O VAL A 17 3.621 1.018 -5.812 1.00 0.00 O ATOM 257 CB VAL A 17 1.202 -0.799 -5.510 1.00 0.00 C ATOM 258 CG1 VAL A 17 1.762 -1.991 -4.745 1.00 0.00 C ATOM 259 CG2 VAL A 17 -0.296 -0.955 -5.725 1.00 0.00 C ATOM 0 H VAL A 17 0.339 1.435 -6.243 1.00 0.00 H new ATOM 0 HA VAL A 17 1.143 0.432 -3.751 1.00 0.00 H new ATOM 0 HB VAL A 17 1.686 -0.764 -6.486 1.00 0.00 H new ATOM 0 HG11 VAL A 17 1.531 -2.910 -5.284 1.00 0.00 H new ATOM 0 HG12 VAL A 17 2.843 -1.888 -4.651 1.00 0.00 H new ATOM 0 HG13 VAL A 17 1.313 -2.030 -3.752 1.00 0.00 H new ATOM 0 HG21 VAL A 17 -0.493 -1.892 -6.246 1.00 0.00 H new ATOM 0 HG22 VAL A 17 -0.803 -0.962 -4.760 1.00 0.00 H new ATOM 0 HG23 VAL A 17 -0.666 -0.123 -6.323 1.00 0.00 H new ATOM 269 N ARG A 18 3.596 0.667 -3.590 1.00 0.00 N ATOM 270 CA ARG A 18 5.020 0.861 -3.411 1.00 0.00 C ATOM 271 C ARG A 18 5.726 -0.477 -3.555 1.00 0.00 C ATOM 272 O ARG A 18 6.835 -0.562 -4.080 1.00 0.00 O ATOM 273 CB ARG A 18 5.286 1.458 -2.032 1.00 0.00 C ATOM 274 CG ARG A 18 6.706 1.950 -1.827 1.00 0.00 C ATOM 275 CD ARG A 18 6.899 2.437 -0.402 1.00 0.00 C ATOM 276 NE ARG A 18 8.200 3.079 -0.199 1.00 0.00 N ATOM 277 CZ ARG A 18 8.493 4.320 -0.594 1.00 0.00 C ATOM 278 NH1 ARG A 18 7.551 5.095 -1.126 1.00 0.00 N ATOM 279 NH2 ARG A 18 9.722 4.799 -0.428 1.00 0.00 N ATOM 0 H ARG A 18 3.093 0.458 -2.728 1.00 0.00 H new ATOM 0 HA ARG A 18 5.400 1.548 -4.167 1.00 0.00 H new ATOM 0 HB2 ARG A 18 4.599 2.289 -1.870 1.00 0.00 H new ATOM 0 HB3 ARG A 18 5.061 0.707 -1.275 1.00 0.00 H new ATOM 0 HG2 ARG A 18 7.410 1.146 -2.041 1.00 0.00 H new ATOM 0 HG3 ARG A 18 6.922 2.758 -2.526 1.00 0.00 H new ATOM 0 HD2 ARG A 18 6.107 3.143 -0.152 1.00 0.00 H new ATOM 0 HD3 ARG A 18 6.803 1.594 0.283 1.00 0.00 H new ATOM 0 HE ARG A 18 8.928 2.544 0.274 1.00 0.00 H new ATOM 0 HH11 ARG A 18 6.600 4.741 -1.233 1.00 0.00 H new ATOM 0 HH12 ARG A 18 7.780 6.043 -1.426 1.00 0.00 H new ATOM 0 HH21 ARG A 18 10.442 4.218 0.002 1.00 0.00 H new ATOM 0 HH22 ARG A 18 9.945 5.747 -0.730 1.00 0.00 H new ATOM 293 N GLY A 19 5.058 -1.518 -3.080 1.00 0.00 N ATOM 294 CA GLY A 19 5.602 -2.854 -3.151 1.00 0.00 C ATOM 295 C GLY A 19 4.828 -3.817 -2.280 1.00 0.00 C ATOM 296 O GLY A 19 3.734 -3.496 -1.810 1.00 0.00 O ATOM 0 H GLY A 19 4.139 -1.457 -2.642 1.00 0.00 H new ATOM 0 HA2 GLY A 19 5.583 -3.201 -4.184 1.00 0.00 H new ATOM 0 HA3 GLY A 19 6.646 -2.839 -2.839 1.00 0.00 H new ATOM 300 N THR A 20 5.389 -4.989 -2.050 1.00 0.00 N ATOM 301 CA THR A 20 4.745 -5.990 -1.221 1.00 0.00 C ATOM 302 C THR A 20 5.089 -5.785 0.249 1.00 0.00 C ATOM 303 O THR A 20 6.240 -5.522 0.595 1.00 0.00 O ATOM 304 CB THR A 20 5.155 -7.408 -1.646 1.00 0.00 C ATOM 305 OG1 THR A 20 6.574 -7.458 -1.860 1.00 0.00 O ATOM 306 CG2 THR A 20 4.428 -7.829 -2.916 1.00 0.00 C ATOM 0 H THR A 20 6.293 -5.272 -2.427 1.00 0.00 H new ATOM 0 HA THR A 20 3.669 -5.877 -1.355 1.00 0.00 H new ATOM 0 HB THR A 20 4.880 -8.099 -0.849 1.00 0.00 H new ATOM 0 HG1 THR A 20 6.832 -8.364 -2.129 1.00 0.00 H new ATOM 0 HG21 THR A 20 4.737 -8.837 -3.195 1.00 0.00 H new ATOM 0 HG22 THR A 20 3.352 -7.814 -2.741 1.00 0.00 H new ATOM 0 HG23 THR A 20 4.674 -7.138 -3.722 1.00 0.00 H new ATOM 314 N CYS A 21 4.096 -5.927 1.109 1.00 0.00 N ATOM 315 CA CYS A 21 4.294 -5.779 2.542 1.00 0.00 C ATOM 316 C CYS A 21 4.418 -7.162 3.181 1.00 0.00 C ATOM 317 O CYS A 21 3.842 -7.441 4.230 1.00 0.00 O ATOM 318 CB CYS A 21 3.137 -4.996 3.165 1.00 0.00 C ATOM 319 SG CYS A 21 3.401 -4.540 4.909 1.00 0.00 S ATOM 0 H CYS A 21 3.137 -6.146 0.838 1.00 0.00 H new ATOM 0 HA CYS A 21 5.212 -5.219 2.723 1.00 0.00 H new ATOM 0 HB2 CYS A 21 2.972 -4.088 2.584 1.00 0.00 H new ATOM 0 HB3 CYS A 21 2.227 -5.592 3.090 1.00 0.00 H new ATOM 324 N GLY A 22 5.161 -8.035 2.522 1.00 0.00 N ATOM 325 CA GLY A 22 5.335 -9.383 3.014 1.00 0.00 C ATOM 326 C GLY A 22 4.449 -10.371 2.282 1.00 0.00 C ATOM 327 O GLY A 22 4.220 -10.232 1.081 1.00 0.00 O ATOM 0 H GLY A 22 5.649 -7.832 1.650 1.00 0.00 H new ATOM 0 HA2 GLY A 22 6.378 -9.679 2.902 1.00 0.00 H new ATOM 0 HA3 GLY A 22 5.108 -9.413 4.080 1.00 0.00 H new ATOM 331 N ILE A 23 3.951 -11.371 2.997 1.00 0.00 N ATOM 332 CA ILE A 23 3.094 -12.383 2.396 1.00 0.00 C ATOM 333 C ILE A 23 1.615 -11.996 2.476 1.00 0.00 C ATOM 334 O ILE A 23 1.057 -11.845 3.562 1.00 0.00 O ATOM 335 CB ILE A 23 3.323 -13.774 3.047 1.00 0.00 C ATOM 336 CG1 ILE A 23 2.343 -14.808 2.478 1.00 0.00 C ATOM 337 CG2 ILE A 23 3.208 -13.694 4.565 1.00 0.00 C ATOM 338 CD1 ILE A 23 2.562 -16.210 3.008 1.00 0.00 C ATOM 0 H ILE A 23 4.126 -11.503 3.993 1.00 0.00 H new ATOM 0 HA ILE A 23 3.368 -12.445 1.343 1.00 0.00 H new ATOM 0 HB ILE A 23 4.336 -14.096 2.805 1.00 0.00 H new ATOM 0 HG12 ILE A 23 1.325 -14.496 2.710 1.00 0.00 H new ATOM 0 HG13 ILE A 23 2.433 -14.821 1.392 1.00 0.00 H new ATOM 0 HG21 ILE A 23 3.373 -14.682 4.995 1.00 0.00 H new ATOM 0 HG22 ILE A 23 3.956 -13.001 4.951 1.00 0.00 H new ATOM 0 HG23 ILE A 23 2.213 -13.342 4.836 1.00 0.00 H new ATOM 0 HD11 ILE A 23 1.833 -16.886 2.561 1.00 0.00 H new ATOM 0 HD12 ILE A 23 3.568 -16.542 2.753 1.00 0.00 H new ATOM 0 HD13 ILE A 23 2.443 -16.212 4.091 1.00 0.00 H new ATOM 350 N ARG A 24 0.991 -11.852 1.303 1.00 0.00 N ATOM 351 CA ARG A 24 -0.429 -11.497 1.191 1.00 0.00 C ATOM 352 C ARG A 24 -0.721 -10.116 1.776 1.00 0.00 C ATOM 353 O ARG A 24 -1.808 -9.866 2.299 1.00 0.00 O ATOM 354 CB ARG A 24 -1.305 -12.557 1.871 1.00 0.00 C ATOM 355 CG ARG A 24 -1.211 -13.929 1.222 1.00 0.00 C ATOM 356 CD ARG A 24 -1.841 -15.005 2.092 1.00 0.00 C ATOM 357 NE ARG A 24 -1.187 -15.102 3.399 1.00 0.00 N ATOM 358 CZ ARG A 24 -1.450 -16.052 4.298 1.00 0.00 C ATOM 359 NH1 ARG A 24 -2.343 -17.000 4.027 1.00 0.00 N ATOM 360 NH2 ARG A 24 -0.817 -16.054 5.467 1.00 0.00 N ATOM 0 H ARG A 24 1.455 -11.978 0.404 1.00 0.00 H new ATOM 0 HA ARG A 24 -0.671 -11.463 0.129 1.00 0.00 H new ATOM 0 HB2 ARG A 24 -1.015 -12.639 2.919 1.00 0.00 H new ATOM 0 HB3 ARG A 24 -2.343 -12.225 1.852 1.00 0.00 H new ATOM 0 HG2 ARG A 24 -1.708 -13.908 0.252 1.00 0.00 H new ATOM 0 HG3 ARG A 24 -0.165 -14.175 1.039 1.00 0.00 H new ATOM 0 HD2 ARG A 24 -2.900 -14.786 2.231 1.00 0.00 H new ATOM 0 HD3 ARG A 24 -1.779 -15.967 1.582 1.00 0.00 H new ATOM 0 HE ARG A 24 -0.487 -14.399 3.637 1.00 0.00 H new ATOM 0 HH11 ARG A 24 -2.829 -17.002 3.130 1.00 0.00 H new ATOM 0 HH12 ARG A 24 -2.542 -17.725 4.716 1.00 0.00 H new ATOM 0 HH21 ARG A 24 -0.130 -15.329 5.676 1.00 0.00 H new ATOM 0 HH22 ARG A 24 -1.018 -16.780 6.155 1.00 0.00 H new ATOM 374 N PHE A 25 0.246 -9.220 1.660 1.00 0.00 N ATOM 375 CA PHE A 25 0.106 -7.854 2.149 1.00 0.00 C ATOM 376 C PHE A 25 0.673 -6.885 1.119 1.00 0.00 C ATOM 377 O PHE A 25 1.717 -7.148 0.521 1.00 0.00 O ATOM 378 CB PHE A 25 0.833 -7.661 3.487 1.00 0.00 C ATOM 379 CG PHE A 25 0.047 -8.069 4.705 1.00 0.00 C ATOM 380 CD1 PHE A 25 -0.284 -9.394 4.936 1.00 0.00 C ATOM 381 CD2 PHE A 25 -0.346 -7.117 5.631 1.00 0.00 C ATOM 382 CE1 PHE A 25 -0.994 -9.761 6.063 1.00 0.00 C ATOM 383 CE2 PHE A 25 -1.057 -7.477 6.760 1.00 0.00 C ATOM 384 CZ PHE A 25 -1.382 -8.800 6.976 1.00 0.00 C ATOM 0 H PHE A 25 1.148 -9.416 1.226 1.00 0.00 H new ATOM 0 HA PHE A 25 -0.954 -7.657 2.306 1.00 0.00 H new ATOM 0 HB2 PHE A 25 1.761 -8.232 3.464 1.00 0.00 H new ATOM 0 HB3 PHE A 25 1.107 -6.611 3.586 1.00 0.00 H new ATOM 0 HD1 PHE A 25 0.017 -10.150 4.226 1.00 0.00 H new ATOM 0 HD2 PHE A 25 -0.093 -6.080 5.469 1.00 0.00 H new ATOM 0 HE1 PHE A 25 -1.245 -10.798 6.230 1.00 0.00 H new ATOM 0 HE2 PHE A 25 -1.358 -6.723 7.473 1.00 0.00 H new ATOM 0 HZ PHE A 25 -1.939 -9.084 7.857 1.00 0.00 H new ATOM 394 N LEU A 26 -0.009 -5.773 0.911 1.00 0.00 N ATOM 395 CA LEU A 26 0.436 -4.776 -0.049 1.00 0.00 C ATOM 396 C LEU A 26 0.784 -3.470 0.649 1.00 0.00 C ATOM 397 O LEU A 26 0.073 -3.023 1.551 1.00 0.00 O ATOM 398 CB LEU A 26 -0.635 -4.527 -1.115 1.00 0.00 C ATOM 399 CG LEU A 26 -0.906 -5.703 -2.055 1.00 0.00 C ATOM 400 CD1 LEU A 26 -1.964 -5.326 -3.079 1.00 0.00 C ATOM 401 CD2 LEU A 26 0.377 -6.138 -2.750 1.00 0.00 C ATOM 0 H LEU A 26 -0.875 -5.536 1.395 1.00 0.00 H new ATOM 0 HA LEU A 26 1.331 -5.162 -0.537 1.00 0.00 H new ATOM 0 HB2 LEU A 26 -1.566 -4.260 -0.616 1.00 0.00 H new ATOM 0 HB3 LEU A 26 -0.336 -3.666 -1.713 1.00 0.00 H new ATOM 0 HG LEU A 26 -1.277 -6.541 -1.464 1.00 0.00 H new ATOM 0 HD11 LEU A 26 -2.147 -6.172 -3.741 1.00 0.00 H new ATOM 0 HD12 LEU A 26 -2.888 -5.060 -2.566 1.00 0.00 H new ATOM 0 HD13 LEU A 26 -1.616 -4.475 -3.665 1.00 0.00 H new ATOM 0 HD21 LEU A 26 0.165 -6.976 -3.415 1.00 0.00 H new ATOM 0 HD22 LEU A 26 0.776 -5.306 -3.330 1.00 0.00 H new ATOM 0 HD23 LEU A 26 1.110 -6.444 -2.003 1.00 0.00 H new ATOM 413 N TYR A 27 1.875 -2.862 0.221 1.00 0.00 N ATOM 414 CA TYR A 27 2.327 -1.603 0.782 1.00 0.00 C ATOM 415 C TYR A 27 2.144 -0.509 -0.265 1.00 0.00 C ATOM 416 O TYR A 27 2.748 -0.571 -1.338 1.00 0.00 O ATOM 417 CB TYR A 27 3.799 -1.728 1.193 1.00 0.00 C ATOM 418 CG TYR A 27 4.306 -0.610 2.073 1.00 0.00 C ATOM 419 CD1 TYR A 27 3.580 -0.180 3.175 1.00 0.00 C ATOM 420 CD2 TYR A 27 5.520 0.007 1.808 1.00 0.00 C ATOM 421 CE1 TYR A 27 4.048 0.835 3.987 1.00 0.00 C ATOM 422 CE2 TYR A 27 5.996 1.022 2.615 1.00 0.00 C ATOM 423 CZ TYR A 27 5.258 1.432 3.702 1.00 0.00 C ATOM 424 OH TYR A 27 5.726 2.446 4.504 1.00 0.00 O ATOM 0 H TYR A 27 2.471 -3.226 -0.523 1.00 0.00 H new ATOM 0 HA TYR A 27 1.746 -1.347 1.668 1.00 0.00 H new ATOM 0 HB2 TYR A 27 3.937 -2.674 1.716 1.00 0.00 H new ATOM 0 HB3 TYR A 27 4.411 -1.769 0.292 1.00 0.00 H new ATOM 0 HD1 TYR A 27 2.633 -0.647 3.402 1.00 0.00 H new ATOM 0 HD2 TYR A 27 6.103 -0.312 0.956 1.00 0.00 H new ATOM 0 HE1 TYR A 27 3.470 1.159 4.840 1.00 0.00 H new ATOM 0 HE2 TYR A 27 6.943 1.492 2.394 1.00 0.00 H new ATOM 0 HH TYR A 27 6.592 2.757 4.166 1.00 0.00 H new ATOM 434 N CYS A 28 1.298 0.470 0.022 1.00 0.00 N ATOM 435 CA CYS A 28 1.041 1.539 -0.939 1.00 0.00 C ATOM 436 C CYS A 28 1.237 2.915 -0.324 1.00 0.00 C ATOM 437 O CYS A 28 1.125 3.088 0.891 1.00 0.00 O ATOM 438 CB CYS A 28 -0.385 1.455 -1.482 1.00 0.00 C ATOM 439 SG CYS A 28 -0.947 -0.220 -1.922 1.00 0.00 S ATOM 0 H CYS A 28 0.783 0.549 0.899 1.00 0.00 H new ATOM 0 HA CYS A 28 1.759 1.404 -1.748 1.00 0.00 H new ATOM 0 HB2 CYS A 28 -1.066 1.866 -0.736 1.00 0.00 H new ATOM 0 HB3 CYS A 28 -0.459 2.090 -2.365 1.00 0.00 H new ATOM 444 N CYS A 29 1.505 3.890 -1.180 1.00 0.00 N ATOM 445 CA CYS A 29 1.691 5.264 -0.751 1.00 0.00 C ATOM 446 C CYS A 29 0.699 6.172 -1.470 1.00 0.00 C ATOM 447 O CYS A 29 0.776 6.350 -2.687 1.00 0.00 O ATOM 448 CB CYS A 29 3.116 5.733 -1.049 1.00 0.00 C ATOM 449 SG CYS A 29 4.422 4.673 -0.350 1.00 0.00 S ATOM 0 H CYS A 29 1.599 3.750 -2.186 1.00 0.00 H new ATOM 0 HA CYS A 29 1.520 5.314 0.324 1.00 0.00 H new ATOM 0 HB2 CYS A 29 3.249 5.787 -2.130 1.00 0.00 H new ATOM 0 HB3 CYS A 29 3.241 6.744 -0.662 1.00 0.00 H new ATOM 454 N PRO A 30 -0.250 6.758 -0.730 1.00 0.00 N ATOM 455 CA PRO A 30 -1.250 7.654 -1.303 1.00 0.00 C ATOM 456 C PRO A 30 -0.659 9.029 -1.622 1.00 0.00 C ATOM 457 O PRO A 30 0.411 9.381 -1.114 1.00 0.00 O ATOM 458 CB PRO A 30 -2.309 7.754 -0.205 1.00 0.00 C ATOM 459 CG PRO A 30 -1.572 7.500 1.065 1.00 0.00 C ATOM 460 CD PRO A 30 -0.419 6.592 0.726 1.00 0.00 C ATOM 0 HA PRO A 30 -1.647 7.287 -2.249 1.00 0.00 H new ATOM 0 HB2 PRO A 30 -2.779 8.737 -0.199 1.00 0.00 H new ATOM 0 HB3 PRO A 30 -3.103 7.022 -0.354 1.00 0.00 H new ATOM 0 HG2 PRO A 30 -1.214 8.434 1.497 1.00 0.00 H new ATOM 0 HG3 PRO A 30 -2.225 7.036 1.804 1.00 0.00 H new ATOM 0 HD2 PRO A 30 0.484 6.874 1.267 1.00 0.00 H new ATOM 0 HD3 PRO A 30 -0.636 5.556 0.987 1.00 0.00 H new ATOM 468 N ARG A 31 -1.346 9.795 -2.470 1.00 0.00 N ATOM 469 CA ARG A 31 -0.875 11.127 -2.855 1.00 0.00 C ATOM 470 C ARG A 31 -0.658 12.016 -1.631 1.00 0.00 C ATOM 471 O ARG A 31 0.391 12.647 -1.489 1.00 0.00 O ATOM 472 CB ARG A 31 -1.835 11.803 -3.856 1.00 0.00 C ATOM 473 CG ARG A 31 -3.276 11.284 -3.855 1.00 0.00 C ATOM 474 CD ARG A 31 -4.053 11.678 -2.604 1.00 0.00 C ATOM 475 NE ARG A 31 -5.494 11.467 -2.770 1.00 0.00 N ATOM 476 CZ ARG A 31 -6.397 11.599 -1.791 1.00 0.00 C ATOM 477 NH1 ARG A 31 -6.017 11.823 -0.538 1.00 0.00 N ATOM 478 NH2 ARG A 31 -7.692 11.475 -2.066 1.00 0.00 N ATOM 0 H ARG A 31 -2.227 9.518 -2.902 1.00 0.00 H new ATOM 0 HA ARG A 31 0.086 10.995 -3.352 1.00 0.00 H new ATOM 0 HB2 ARG A 31 -1.854 12.872 -3.646 1.00 0.00 H new ATOM 0 HB3 ARG A 31 -1.427 11.683 -4.859 1.00 0.00 H new ATOM 0 HG2 ARG A 31 -3.795 11.668 -4.733 1.00 0.00 H new ATOM 0 HG3 ARG A 31 -3.265 10.197 -3.941 1.00 0.00 H new ATOM 0 HD2 ARG A 31 -3.696 11.095 -1.755 1.00 0.00 H new ATOM 0 HD3 ARG A 31 -3.863 12.726 -2.373 1.00 0.00 H new ATOM 0 HE ARG A 31 -5.832 11.201 -3.695 1.00 0.00 H new ATOM 0 HH11 ARG A 31 -5.025 11.897 -0.311 1.00 0.00 H new ATOM 0 HH12 ARG A 31 -6.717 11.921 0.197 1.00 0.00 H new ATOM 0 HH21 ARG A 31 -7.994 11.280 -3.020 1.00 0.00 H new ATOM 0 HH22 ARG A 31 -8.383 11.575 -1.322 1.00 0.00 H new ATOM 492 N ARG A 32 -1.638 12.026 -0.743 1.00 0.00 N ATOM 493 CA ARG A 32 -1.592 12.793 0.491 1.00 0.00 C ATOM 494 C ARG A 32 -2.880 12.526 1.241 1.00 0.00 C ATOM 495 O ARG A 32 -3.734 11.822 0.665 1.00 0.00 O ATOM 496 CB ARG A 32 -1.432 14.301 0.227 1.00 0.00 C ATOM 497 CG ARG A 32 -2.659 14.965 -0.387 1.00 0.00 C ATOM 498 CD ARG A 32 -3.217 16.056 0.521 1.00 0.00 C ATOM 499 NE ARG A 32 -3.612 15.525 1.826 1.00 0.00 N ATOM 500 CZ ARG A 32 -4.191 16.232 2.790 1.00 0.00 C ATOM 501 NH1 ARG A 32 -4.464 17.522 2.610 1.00 0.00 N ATOM 502 NH2 ARG A 32 -4.493 15.640 3.940 1.00 0.00 N ATOM 503 OXT ARG A 32 -3.044 13.037 2.363 1.00 0.00 O ATOM 0 H ARG A 32 -2.500 11.494 -0.861 1.00 0.00 H new ATOM 0 HA ARG A 32 -0.725 12.486 1.076 1.00 0.00 H new ATOM 0 HB2 ARG A 32 -1.196 14.799 1.167 1.00 0.00 H new ATOM 0 HB3 ARG A 32 -0.581 14.453 -0.437 1.00 0.00 H new ATOM 0 HG2 ARG A 32 -2.396 15.394 -1.354 1.00 0.00 H new ATOM 0 HG3 ARG A 32 -3.427 14.214 -0.570 1.00 0.00 H new ATOM 0 HD2 ARG A 32 -2.467 16.835 0.657 1.00 0.00 H new ATOM 0 HD3 ARG A 32 -4.078 16.523 0.042 1.00 0.00 H new ATOM 0 HE ARG A 32 -3.429 14.538 2.009 1.00 0.00 H new ATOM 0 HH11 ARG A 32 -4.229 17.975 1.727 1.00 0.00 H new ATOM 0 HH12 ARG A 32 -4.909 18.058 3.355 1.00 0.00 H new ATOM 0 HH21 ARG A 32 -4.280 14.652 4.076 1.00 0.00 H new ATOM 0 HH22 ARG A 32 -4.938 16.174 4.687 1.00 0.00 H new TER 517 ARG A 32