USER MOD reduce.3.24.130724 H: found=0, std=0, add=264, rem=0, adj=6 USER MOD reduce.3.24.130724 removed 264 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+ -126:sc= 0.55 (180deg=-2.2!) USER MOD Single : A 5 TYR OH : rot -100:sc= 1.19 USER MOD Single : A 8 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 10 HIS : no HE2:sc= 1.02 K(o=1,f=-3.5!) USER MOD Single : A 12 LYS NZ :NH3+ -138:sc= -0.149 (180deg=-0.619) USER MOD Single : A 20 THR OG1 : rot 180:sc= 0.0131 USER MOD Single : A 27 TYR OH : rot -57:sc= 0.4 USER MOD ----------------------------------------------------------------- ATOM 1 N GLY A 1 1.368 10.066 2.466 1.00 0.00 N ATOM 2 CA GLY A 1 2.693 9.467 2.759 1.00 0.00 C ATOM 3 C GLY A 1 3.573 9.422 1.528 1.00 0.00 C ATOM 4 O GLY A 1 3.075 9.244 0.414 1.00 0.00 O ATOM 0 H1 GLY A 1 1.188 10.850 3.125 1.00 0.00 H new ATOM 0 H2 GLY A 1 1.357 10.425 1.490 1.00 0.00 H new ATOM 0 H3 GLY A 1 0.628 9.344 2.577 1.00 0.00 H new ATOM 0 HA2 GLY A 1 3.189 10.044 3.539 1.00 0.00 H new ATOM 0 HA3 GLY A 1 2.558 8.457 3.147 1.00 0.00 H new ATOM 10 N LEU A 2 4.874 9.597 1.724 1.00 0.00 N ATOM 11 CA LEU A 2 5.824 9.581 0.618 1.00 0.00 C ATOM 12 C LEU A 2 6.394 8.182 0.414 1.00 0.00 C ATOM 13 O LEU A 2 6.507 7.706 -0.709 1.00 0.00 O ATOM 14 CB LEU A 2 6.959 10.578 0.872 1.00 0.00 C ATOM 15 CG LEU A 2 6.529 12.044 0.967 1.00 0.00 C ATOM 16 CD1 LEU A 2 7.728 12.933 1.263 1.00 0.00 C ATOM 17 CD2 LEU A 2 5.844 12.485 -0.318 1.00 0.00 C ATOM 0 H LEU A 2 5.296 9.752 2.640 1.00 0.00 H new ATOM 0 HA LEU A 2 5.293 9.874 -0.288 1.00 0.00 H new ATOM 0 HB2 LEU A 2 7.462 10.303 1.799 1.00 0.00 H new ATOM 0 HB3 LEU A 2 7.692 10.482 0.071 1.00 0.00 H new ATOM 0 HG LEU A 2 5.817 12.140 1.787 1.00 0.00 H new ATOM 0 HD11 LEU A 2 7.404 13.972 1.327 1.00 0.00 H new ATOM 0 HD12 LEU A 2 8.178 12.634 2.210 1.00 0.00 H new ATOM 0 HD13 LEU A 2 8.463 12.831 0.464 1.00 0.00 H new ATOM 0 HD21 LEU A 2 5.546 13.530 -0.231 1.00 0.00 H new ATOM 0 HD22 LEU A 2 6.533 12.373 -1.155 1.00 0.00 H new ATOM 0 HD23 LEU A 2 4.962 11.869 -0.490 1.00 0.00 H new ATOM 29 N LEU A 3 6.751 7.537 1.517 1.00 0.00 N ATOM 30 CA LEU A 3 7.310 6.193 1.477 1.00 0.00 C ATOM 31 C LEU A 3 6.201 5.152 1.378 1.00 0.00 C ATOM 32 O LEU A 3 5.178 5.263 2.054 1.00 0.00 O ATOM 33 CB LEU A 3 8.170 5.917 2.719 1.00 0.00 C ATOM 34 CG LEU A 3 9.508 6.666 2.793 1.00 0.00 C ATOM 35 CD1 LEU A 3 9.301 8.138 3.121 1.00 0.00 C ATOM 36 CD2 LEU A 3 10.421 6.016 3.821 1.00 0.00 C ATOM 0 H LEU A 3 6.662 7.926 2.456 1.00 0.00 H new ATOM 0 HA LEU A 3 7.943 6.124 0.592 1.00 0.00 H new ATOM 0 HB2 LEU A 3 7.586 6.170 3.604 1.00 0.00 H new ATOM 0 HB3 LEU A 3 8.373 4.847 2.765 1.00 0.00 H new ATOM 0 HG LEU A 3 9.981 6.606 1.813 1.00 0.00 H new ATOM 0 HD11 LEU A 3 10.267 8.640 3.166 1.00 0.00 H new ATOM 0 HD12 LEU A 3 8.688 8.600 2.348 1.00 0.00 H new ATOM 0 HD13 LEU A 3 8.799 8.229 4.084 1.00 0.00 H new ATOM 0 HD21 LEU A 3 11.366 6.558 3.863 1.00 0.00 H new ATOM 0 HD22 LEU A 3 9.944 6.043 4.801 1.00 0.00 H new ATOM 0 HD23 LEU A 3 10.609 4.980 3.538 1.00 0.00 H new ATOM 48 N CYS A 4 6.409 4.153 0.534 1.00 0.00 N ATOM 49 CA CYS A 4 5.432 3.086 0.340 1.00 0.00 C ATOM 50 C CYS A 4 5.671 1.945 1.327 1.00 0.00 C ATOM 51 O CYS A 4 6.807 1.698 1.737 1.00 0.00 O ATOM 52 CB CYS A 4 5.508 2.536 -1.089 1.00 0.00 C ATOM 53 SG CYS A 4 4.895 3.642 -2.411 1.00 0.00 S ATOM 0 H CYS A 4 7.252 4.057 -0.033 1.00 0.00 H new ATOM 0 HA CYS A 4 4.443 3.510 0.513 1.00 0.00 H new ATOM 0 HB2 CYS A 4 6.547 2.286 -1.305 1.00 0.00 H new ATOM 0 HB3 CYS A 4 4.941 1.606 -1.129 1.00 0.00 H new ATOM 58 N TYR A 5 4.606 1.236 1.689 1.00 0.00 N ATOM 59 CA TYR A 5 4.701 0.117 2.600 1.00 0.00 C ATOM 60 C TYR A 5 4.040 -1.112 1.985 1.00 0.00 C ATOM 61 O TYR A 5 3.218 -1.008 1.068 1.00 0.00 O ATOM 62 CB TYR A 5 4.072 0.455 3.967 1.00 0.00 C ATOM 63 CG TYR A 5 2.558 0.595 3.974 1.00 0.00 C ATOM 64 CD1 TYR A 5 1.730 -0.523 3.948 1.00 0.00 C ATOM 65 CD2 TYR A 5 1.956 1.842 4.029 1.00 0.00 C ATOM 66 CE1 TYR A 5 0.355 -0.398 3.968 1.00 0.00 C ATOM 67 CE2 TYR A 5 0.580 1.975 4.053 1.00 0.00 C ATOM 68 CZ TYR A 5 -0.217 0.853 4.021 1.00 0.00 C ATOM 69 OH TYR A 5 -1.587 0.982 4.039 1.00 0.00 O ATOM 0 H TYR A 5 3.660 1.425 1.357 1.00 0.00 H new ATOM 0 HA TYR A 5 5.755 -0.100 2.771 1.00 0.00 H new ATOM 0 HB2 TYR A 5 4.351 -0.323 4.678 1.00 0.00 H new ATOM 0 HB3 TYR A 5 4.507 1.387 4.327 1.00 0.00 H new ATOM 0 HD1 TYR A 5 2.172 -1.508 3.911 1.00 0.00 H new ATOM 0 HD2 TYR A 5 2.574 2.727 4.054 1.00 0.00 H new ATOM 0 HE1 TYR A 5 -0.270 -1.279 3.942 1.00 0.00 H new ATOM 0 HE2 TYR A 5 0.132 2.957 4.097 1.00 0.00 H new ATOM 0 HH TYR A 5 -1.906 1.205 3.140 1.00 0.00 H new ATOM 79 N CYS A 6 4.417 -2.262 2.498 1.00 0.00 N ATOM 80 CA CYS A 6 3.888 -3.543 2.043 1.00 0.00 C ATOM 81 C CYS A 6 2.549 -3.819 2.720 1.00 0.00 C ATOM 82 O CYS A 6 2.383 -3.527 3.904 1.00 0.00 O ATOM 83 CB CYS A 6 4.891 -4.652 2.368 1.00 0.00 C ATOM 84 SG CYS A 6 4.394 -6.311 1.812 1.00 0.00 S ATOM 0 H CYS A 6 5.104 -2.343 3.248 1.00 0.00 H new ATOM 0 HA CYS A 6 3.732 -3.512 0.965 1.00 0.00 H new ATOM 0 HB2 CYS A 6 5.849 -4.402 1.912 1.00 0.00 H new ATOM 0 HB3 CYS A 6 5.048 -4.677 3.446 1.00 0.00 H new ATOM 89 N ARG A 7 1.592 -4.371 1.981 1.00 0.00 N ATOM 90 CA ARG A 7 0.284 -4.655 2.551 1.00 0.00 C ATOM 91 C ARG A 7 -0.358 -5.856 1.872 1.00 0.00 C ATOM 92 O ARG A 7 -0.361 -5.968 0.650 1.00 0.00 O ATOM 93 CB ARG A 7 -0.629 -3.433 2.429 1.00 0.00 C ATOM 94 CG ARG A 7 -1.858 -3.510 3.317 1.00 0.00 C ATOM 95 CD ARG A 7 -2.664 -2.219 3.282 1.00 0.00 C ATOM 96 NE ARG A 7 -3.760 -2.232 4.255 1.00 0.00 N ATOM 97 CZ ARG A 7 -4.863 -2.978 4.137 1.00 0.00 C ATOM 98 NH1 ARG A 7 -5.079 -3.690 3.037 1.00 0.00 N ATOM 99 NH2 ARG A 7 -5.764 -2.991 5.115 1.00 0.00 N ATOM 0 H ARG A 7 1.697 -4.627 0.999 1.00 0.00 H new ATOM 0 HA ARG A 7 0.421 -4.890 3.606 1.00 0.00 H new ATOM 0 HB2 ARG A 7 -0.062 -2.538 2.683 1.00 0.00 H new ATOM 0 HB3 ARG A 7 -0.945 -3.327 1.391 1.00 0.00 H new ATOM 0 HG2 ARG A 7 -2.487 -4.340 2.995 1.00 0.00 H new ATOM 0 HG3 ARG A 7 -1.553 -3.720 4.342 1.00 0.00 H new ATOM 0 HD2 ARG A 7 -2.006 -1.375 3.488 1.00 0.00 H new ATOM 0 HD3 ARG A 7 -3.069 -2.071 2.281 1.00 0.00 H new ATOM 0 HE ARG A 7 -3.676 -1.633 5.076 1.00 0.00 H new ATOM 0 HH11 ARG A 7 -4.401 -3.670 2.275 1.00 0.00 H new ATOM 0 HH12 ARG A 7 -5.923 -4.257 2.954 1.00 0.00 H new ATOM 0 HH21 ARG A 7 -5.613 -2.432 5.955 1.00 0.00 H new ATOM 0 HH22 ARG A 7 -6.606 -3.560 5.025 1.00 0.00 H new ATOM 113 N LYS A 8 -0.888 -6.754 2.685 1.00 0.00 N ATOM 114 CA LYS A 8 -1.527 -7.965 2.190 1.00 0.00 C ATOM 115 C LYS A 8 -2.876 -7.670 1.541 1.00 0.00 C ATOM 116 O LYS A 8 -3.637 -6.821 2.014 1.00 0.00 O ATOM 117 CB LYS A 8 -1.739 -8.961 3.335 1.00 0.00 C ATOM 118 CG LYS A 8 -0.493 -9.234 4.160 1.00 0.00 C ATOM 119 CD LYS A 8 -0.757 -10.266 5.249 1.00 0.00 C ATOM 120 CE LYS A 8 -1.800 -9.785 6.246 1.00 0.00 C ATOM 121 NZ LYS A 8 -2.060 -10.794 7.310 1.00 0.00 N ATOM 0 H LYS A 8 -0.889 -6.667 3.701 1.00 0.00 H new ATOM 0 HA LYS A 8 -0.864 -8.391 1.438 1.00 0.00 H new ATOM 0 HB2 LYS A 8 -2.521 -8.581 3.993 1.00 0.00 H new ATOM 0 HB3 LYS A 8 -2.101 -9.902 2.921 1.00 0.00 H new ATOM 0 HG2 LYS A 8 0.305 -9.588 3.508 1.00 0.00 H new ATOM 0 HG3 LYS A 8 -0.146 -8.306 4.614 1.00 0.00 H new ATOM 0 HD2 LYS A 8 -1.093 -11.197 4.793 1.00 0.00 H new ATOM 0 HD3 LYS A 8 0.173 -10.486 5.774 1.00 0.00 H new ATOM 0 HE2 LYS A 8 -1.463 -8.855 6.703 1.00 0.00 H new ATOM 0 HE3 LYS A 8 -2.729 -9.564 5.721 1.00 0.00 H new ATOM 0 HZ1 LYS A 8 -2.776 -10.427 7.969 1.00 0.00 H new ATOM 0 HZ2 LYS A 8 -2.406 -11.674 6.877 1.00 0.00 H new ATOM 0 HZ3 LYS A 8 -1.179 -10.986 7.829 1.00 0.00 H new ATOM 135 N GLY A 9 -3.173 -8.403 0.477 1.00 0.00 N ATOM 136 CA GLY A 9 -4.437 -8.255 -0.220 1.00 0.00 C ATOM 137 C GLY A 9 -4.494 -7.069 -1.155 1.00 0.00 C ATOM 138 O GLY A 9 -4.683 -7.235 -2.362 1.00 0.00 O ATOM 0 H GLY A 9 -2.552 -9.107 0.079 1.00 0.00 H new ATOM 0 HA2 GLY A 9 -4.633 -9.163 -0.791 1.00 0.00 H new ATOM 0 HA3 GLY A 9 -5.236 -8.162 0.516 1.00 0.00 H new ATOM 142 N HIS A 10 -4.343 -5.879 -0.603 1.00 0.00 N ATOM 143 CA HIS A 10 -4.388 -4.647 -1.384 1.00 0.00 C ATOM 144 C HIS A 10 -4.005 -3.451 -0.526 1.00 0.00 C ATOM 145 O HIS A 10 -3.760 -3.587 0.670 1.00 0.00 O ATOM 146 CB HIS A 10 -5.794 -4.422 -1.957 1.00 0.00 C ATOM 147 CG HIS A 10 -5.842 -4.395 -3.456 1.00 0.00 C ATOM 148 ND1 HIS A 10 -5.469 -5.464 -4.238 1.00 0.00 N ATOM 149 CD2 HIS A 10 -6.229 -3.420 -4.314 1.00 0.00 C ATOM 150 CE1 HIS A 10 -5.624 -5.155 -5.512 1.00 0.00 C ATOM 151 NE2 HIS A 10 -6.084 -3.920 -5.586 1.00 0.00 N ATOM 0 H HIS A 10 -4.186 -5.735 0.394 1.00 0.00 H new ATOM 0 HA HIS A 10 -3.674 -4.747 -2.202 1.00 0.00 H new ATOM 0 HB2 HIS A 10 -6.453 -5.211 -1.596 1.00 0.00 H new ATOM 0 HB3 HIS A 10 -6.185 -3.480 -1.574 1.00 0.00 H new ATOM 0 HD1 HIS A 10 -5.125 -6.358 -3.887 1.00 0.00 H new ATOM 0 HD2 HIS A 10 -6.584 -2.435 -4.048 1.00 0.00 H new ATOM 0 HE1 HIS A 10 -5.411 -5.802 -6.350 1.00 0.00 H new ATOM 160 N CYS A 11 -3.970 -2.287 -1.155 1.00 0.00 N ATOM 161 CA CYS A 11 -3.633 -1.034 -0.487 1.00 0.00 C ATOM 162 C CYS A 11 -4.771 -0.580 0.418 1.00 0.00 C ATOM 163 O CYS A 11 -5.894 -1.080 0.313 1.00 0.00 O ATOM 164 CB CYS A 11 -3.384 0.045 -1.540 1.00 0.00 C ATOM 165 SG CYS A 11 -2.402 -0.531 -2.965 1.00 0.00 S ATOM 0 H CYS A 11 -4.175 -2.181 -2.149 1.00 0.00 H new ATOM 0 HA CYS A 11 -2.741 -1.193 0.118 1.00 0.00 H new ATOM 0 HB2 CYS A 11 -4.343 0.418 -1.899 1.00 0.00 H new ATOM 0 HB3 CYS A 11 -2.870 0.885 -1.072 1.00 0.00 H new ATOM 170 N LYS A 12 -4.494 0.398 1.267 1.00 0.00 N ATOM 171 CA LYS A 12 -5.513 0.955 2.139 1.00 0.00 C ATOM 172 C LYS A 12 -6.398 1.863 1.296 1.00 0.00 C ATOM 173 O LYS A 12 -5.915 2.461 0.337 1.00 0.00 O ATOM 174 CB LYS A 12 -4.858 1.737 3.284 1.00 0.00 C ATOM 175 CG LYS A 12 -5.825 2.496 4.180 1.00 0.00 C ATOM 176 CD LYS A 12 -6.587 1.567 5.110 1.00 0.00 C ATOM 177 CE LYS A 12 -7.412 2.353 6.115 1.00 0.00 C ATOM 178 NZ LYS A 12 -6.572 3.289 6.915 1.00 0.00 N ATOM 0 H LYS A 12 -3.572 0.821 1.370 1.00 0.00 H new ATOM 0 HA LYS A 12 -6.113 0.163 2.586 1.00 0.00 H new ATOM 0 HB2 LYS A 12 -4.287 1.041 3.899 1.00 0.00 H new ATOM 0 HB3 LYS A 12 -4.147 2.446 2.860 1.00 0.00 H new ATOM 0 HG2 LYS A 12 -5.274 3.228 4.770 1.00 0.00 H new ATOM 0 HG3 LYS A 12 -6.532 3.051 3.563 1.00 0.00 H new ATOM 0 HD2 LYS A 12 -7.241 0.919 4.526 1.00 0.00 H new ATOM 0 HD3 LYS A 12 -5.886 0.920 5.637 1.00 0.00 H new ATOM 0 HE2 LYS A 12 -8.183 2.916 5.590 1.00 0.00 H new ATOM 0 HE3 LYS A 12 -7.923 1.661 6.785 1.00 0.00 H new ATOM 0 HZ1 LYS A 12 -6.871 3.259 7.911 1.00 0.00 H new ATOM 0 HZ2 LYS A 12 -5.574 3.006 6.845 1.00 0.00 H new ATOM 0 HZ3 LYS A 12 -6.684 4.256 6.549 1.00 0.00 H new ATOM 192 N ARG A 13 -7.682 1.951 1.625 1.00 0.00 N ATOM 193 CA ARG A 13 -8.598 2.792 0.862 1.00 0.00 C ATOM 194 C ARG A 13 -8.138 4.246 0.931 1.00 0.00 C ATOM 195 O ARG A 13 -8.421 4.956 1.898 1.00 0.00 O ATOM 196 CB ARG A 13 -10.031 2.644 1.393 1.00 0.00 C ATOM 197 CG ARG A 13 -11.117 3.078 0.411 1.00 0.00 C ATOM 198 CD ARG A 13 -11.210 4.592 0.277 1.00 0.00 C ATOM 199 NE ARG A 13 -11.664 5.230 1.515 1.00 0.00 N ATOM 200 CZ ARG A 13 -11.716 6.551 1.699 1.00 0.00 C ATOM 201 NH1 ARG A 13 -11.310 7.375 0.736 1.00 0.00 N ATOM 202 NH2 ARG A 13 -12.168 7.048 2.846 1.00 0.00 N ATOM 0 H ARG A 13 -8.110 1.456 2.407 1.00 0.00 H new ATOM 0 HA ARG A 13 -8.593 2.473 -0.180 1.00 0.00 H new ATOM 0 HB2 ARG A 13 -10.199 1.602 1.664 1.00 0.00 H new ATOM 0 HB3 ARG A 13 -10.129 3.231 2.306 1.00 0.00 H new ATOM 0 HG2 ARG A 13 -10.914 2.642 -0.567 1.00 0.00 H new ATOM 0 HG3 ARG A 13 -12.079 2.686 0.741 1.00 0.00 H new ATOM 0 HD2 ARG A 13 -10.234 4.991 0.001 1.00 0.00 H new ATOM 0 HD3 ARG A 13 -11.897 4.842 -0.532 1.00 0.00 H new ATOM 0 HE ARG A 13 -11.959 4.628 2.284 1.00 0.00 H new ATOM 0 HH11 ARG A 13 -10.959 6.997 -0.144 1.00 0.00 H new ATOM 0 HH12 ARG A 13 -11.350 8.384 0.878 1.00 0.00 H new ATOM 0 HH21 ARG A 13 -12.476 6.420 3.588 1.00 0.00 H new ATOM 0 HH22 ARG A 13 -12.207 8.058 2.984 1.00 0.00 H new ATOM 216 N GLY A 14 -7.403 4.661 -0.089 1.00 0.00 N ATOM 217 CA GLY A 14 -6.878 6.006 -0.136 1.00 0.00 C ATOM 218 C GLY A 14 -5.420 6.024 -0.552 1.00 0.00 C ATOM 219 O GLY A 14 -4.916 7.046 -1.023 1.00 0.00 O ATOM 0 H GLY A 14 -7.160 4.082 -0.893 1.00 0.00 H new ATOM 0 HA2 GLY A 14 -7.464 6.601 -0.837 1.00 0.00 H new ATOM 0 HA3 GLY A 14 -6.983 6.472 0.844 1.00 0.00 H new ATOM 223 N ASP A 15 -4.743 4.891 -0.368 1.00 0.00 N ATOM 224 CA ASP A 15 -3.332 4.766 -0.715 1.00 0.00 C ATOM 225 C ASP A 15 -3.139 4.771 -2.223 1.00 0.00 C ATOM 226 O ASP A 15 -4.098 4.827 -2.993 1.00 0.00 O ATOM 227 CB ASP A 15 -2.748 3.466 -0.147 1.00 0.00 C ATOM 228 CG ASP A 15 -2.677 3.433 1.369 1.00 0.00 C ATOM 229 OD1 ASP A 15 -3.028 4.442 2.021 1.00 0.00 O ATOM 230 OD2 ASP A 15 -2.262 2.385 1.913 1.00 0.00 O ATOM 0 H ASP A 15 -5.154 4.043 0.022 1.00 0.00 H new ATOM 0 HA ASP A 15 -2.813 5.621 -0.282 1.00 0.00 H new ATOM 0 HB2 ASP A 15 -3.353 2.627 -0.491 1.00 0.00 H new ATOM 0 HB3 ASP A 15 -1.746 3.323 -0.551 1.00 0.00 H new ATOM 235 N ARG A 16 -1.890 4.676 -2.643 1.00 0.00 N ATOM 236 CA ARG A 16 -1.567 4.639 -4.061 1.00 0.00 C ATOM 237 C ARG A 16 -0.720 3.410 -4.366 1.00 0.00 C ATOM 238 O ARG A 16 0.317 3.182 -3.737 1.00 0.00 O ATOM 239 CB ARG A 16 -0.846 5.921 -4.510 1.00 0.00 C ATOM 240 CG ARG A 16 0.538 6.112 -3.905 1.00 0.00 C ATOM 241 CD ARG A 16 1.306 7.221 -4.612 1.00 0.00 C ATOM 242 NE ARG A 16 0.792 8.551 -4.285 1.00 0.00 N ATOM 243 CZ ARG A 16 1.133 9.237 -3.191 1.00 0.00 C ATOM 244 NH1 ARG A 16 2.067 8.764 -2.369 1.00 0.00 N ATOM 245 NH2 ARG A 16 0.564 10.412 -2.941 1.00 0.00 N ATOM 0 H ARG A 16 -1.082 4.623 -2.023 1.00 0.00 H new ATOM 0 HA ARG A 16 -2.500 4.578 -4.622 1.00 0.00 H new ATOM 0 HB2 ARG A 16 -0.756 5.910 -5.596 1.00 0.00 H new ATOM 0 HB3 ARG A 16 -1.464 6.780 -4.250 1.00 0.00 H new ATOM 0 HG2 ARG A 16 0.444 6.351 -2.846 1.00 0.00 H new ATOM 0 HG3 ARG A 16 1.098 5.179 -3.973 1.00 0.00 H new ATOM 0 HD2 ARG A 16 2.359 7.163 -4.336 1.00 0.00 H new ATOM 0 HD3 ARG A 16 1.250 7.068 -5.690 1.00 0.00 H new ATOM 0 HE ARG A 16 0.132 8.981 -4.933 1.00 0.00 H new ATOM 0 HH11 ARG A 16 2.524 7.876 -2.574 1.00 0.00 H new ATOM 0 HH12 ARG A 16 2.325 9.290 -1.534 1.00 0.00 H new ATOM 0 HH21 ARG A 16 -0.132 10.789 -3.584 1.00 0.00 H new ATOM 0 HH22 ARG A 16 0.824 10.937 -2.106 1.00 0.00 H new ATOM 259 N VAL A 17 -1.178 2.611 -5.315 1.00 0.00 N ATOM 260 CA VAL A 17 -0.480 1.390 -5.694 1.00 0.00 C ATOM 261 C VAL A 17 0.810 1.703 -6.442 1.00 0.00 C ATOM 262 O VAL A 17 0.848 2.602 -7.290 1.00 0.00 O ATOM 263 CB VAL A 17 -1.359 0.488 -6.588 1.00 0.00 C ATOM 264 CG1 VAL A 17 -0.789 -0.921 -6.666 1.00 0.00 C ATOM 265 CG2 VAL A 17 -2.799 0.466 -6.095 1.00 0.00 C ATOM 0 H VAL A 17 -2.035 2.786 -5.841 1.00 0.00 H new ATOM 0 HA VAL A 17 -0.249 0.864 -4.768 1.00 0.00 H new ATOM 0 HB VAL A 17 -1.356 0.909 -7.594 1.00 0.00 H new ATOM 0 HG11 VAL A 17 -1.426 -1.537 -7.301 1.00 0.00 H new ATOM 0 HG12 VAL A 17 0.216 -0.884 -7.087 1.00 0.00 H new ATOM 0 HG13 VAL A 17 -0.748 -1.353 -5.666 1.00 0.00 H new ATOM 0 HG21 VAL A 17 -3.396 -0.177 -6.743 1.00 0.00 H new ATOM 0 HG22 VAL A 17 -2.829 0.082 -5.075 1.00 0.00 H new ATOM 0 HG23 VAL A 17 -3.205 1.477 -6.113 1.00 0.00 H new ATOM 275 N ARG A 18 1.861 0.957 -6.140 1.00 0.00 N ATOM 276 CA ARG A 18 3.143 1.144 -6.798 1.00 0.00 C ATOM 277 C ARG A 18 3.602 -0.145 -7.453 1.00 0.00 C ATOM 278 O ARG A 18 4.128 -0.132 -8.563 1.00 0.00 O ATOM 279 CB ARG A 18 4.198 1.659 -5.820 1.00 0.00 C ATOM 280 CG ARG A 18 4.024 3.125 -5.448 1.00 0.00 C ATOM 281 CD ARG A 18 4.275 4.054 -6.631 1.00 0.00 C ATOM 282 NE ARG A 18 3.208 3.985 -7.632 1.00 0.00 N ATOM 283 CZ ARG A 18 3.215 4.650 -8.784 1.00 0.00 C ATOM 284 NH1 ARG A 18 4.237 5.445 -9.091 1.00 0.00 N ATOM 285 NH2 ARG A 18 2.201 4.516 -9.632 1.00 0.00 N ATOM 0 H ARG A 18 1.850 0.214 -5.441 1.00 0.00 H new ATOM 0 HA ARG A 18 3.013 1.898 -7.575 1.00 0.00 H new ATOM 0 HB2 ARG A 18 4.164 1.057 -4.912 1.00 0.00 H new ATOM 0 HB3 ARG A 18 5.186 1.519 -6.258 1.00 0.00 H new ATOM 0 HG2 ARG A 18 3.014 3.285 -5.071 1.00 0.00 H new ATOM 0 HG3 ARG A 18 4.710 3.377 -4.639 1.00 0.00 H new ATOM 0 HD2 ARG A 18 4.366 5.079 -6.271 1.00 0.00 H new ATOM 0 HD3 ARG A 18 5.225 3.794 -7.098 1.00 0.00 H new ATOM 0 HE ARG A 18 2.406 3.387 -7.432 1.00 0.00 H new ATOM 0 HH11 ARG A 18 5.018 5.546 -8.442 1.00 0.00 H new ATOM 0 HH12 ARG A 18 4.240 5.954 -9.975 1.00 0.00 H new ATOM 0 HH21 ARG A 18 1.419 3.904 -9.399 1.00 0.00 H new ATOM 0 HH22 ARG A 18 2.205 5.025 -10.516 1.00 0.00 H new ATOM 299 N GLY A 19 3.388 -1.256 -6.771 1.00 0.00 N ATOM 300 CA GLY A 19 3.777 -2.536 -7.324 1.00 0.00 C ATOM 301 C GLY A 19 3.413 -3.697 -6.425 1.00 0.00 C ATOM 302 O GLY A 19 2.532 -3.581 -5.575 1.00 0.00 O ATOM 0 H GLY A 19 2.954 -1.297 -5.849 1.00 0.00 H new ATOM 0 HA2 GLY A 19 3.297 -2.669 -8.294 1.00 0.00 H new ATOM 0 HA3 GLY A 19 4.853 -2.540 -7.497 1.00 0.00 H new ATOM 306 N THR A 20 4.098 -4.812 -6.612 1.00 0.00 N ATOM 307 CA THR A 20 3.862 -6.006 -5.820 1.00 0.00 C ATOM 308 C THR A 20 4.894 -6.131 -4.708 1.00 0.00 C ATOM 309 O THR A 20 6.028 -5.679 -4.853 1.00 0.00 O ATOM 310 CB THR A 20 3.907 -7.265 -6.704 1.00 0.00 C ATOM 311 OG1 THR A 20 5.025 -7.185 -7.599 1.00 0.00 O ATOM 312 CG2 THR A 20 2.621 -7.418 -7.500 1.00 0.00 C ATOM 0 H THR A 20 4.831 -4.915 -7.314 1.00 0.00 H new ATOM 0 HA THR A 20 2.870 -5.917 -5.376 1.00 0.00 H new ATOM 0 HB THR A 20 4.015 -8.136 -6.058 1.00 0.00 H new ATOM 0 HG1 THR A 20 5.053 -7.988 -8.160 1.00 0.00 H new ATOM 0 HG21 THR A 20 2.679 -8.315 -8.116 1.00 0.00 H new ATOM 0 HG22 THR A 20 1.777 -7.502 -6.815 1.00 0.00 H new ATOM 0 HG23 THR A 20 2.483 -6.547 -8.140 1.00 0.00 H new ATOM 320 N CYS A 21 4.501 -6.745 -3.605 1.00 0.00 N ATOM 321 CA CYS A 21 5.399 -6.932 -2.477 1.00 0.00 C ATOM 322 C CYS A 21 5.816 -8.391 -2.382 1.00 0.00 C ATOM 323 O CYS A 21 6.990 -8.711 -2.219 1.00 0.00 O ATOM 324 CB CYS A 21 4.712 -6.492 -1.188 1.00 0.00 C ATOM 325 SG CYS A 21 5.704 -6.723 0.320 1.00 0.00 S ATOM 0 H CYS A 21 3.564 -7.123 -3.466 1.00 0.00 H new ATOM 0 HA CYS A 21 6.291 -6.323 -2.625 1.00 0.00 H new ATOM 0 HB2 CYS A 21 4.448 -5.438 -1.275 1.00 0.00 H new ATOM 0 HB3 CYS A 21 3.780 -7.047 -1.082 1.00 0.00 H new ATOM 330 N GLY A 22 4.836 -9.270 -2.499 1.00 0.00 N ATOM 331 CA GLY A 22 5.099 -10.691 -2.437 1.00 0.00 C ATOM 332 C GLY A 22 3.860 -11.501 -2.736 1.00 0.00 C ATOM 333 O GLY A 22 2.934 -11.003 -3.382 1.00 0.00 O ATOM 0 H GLY A 22 3.856 -9.023 -2.637 1.00 0.00 H new ATOM 0 HA2 GLY A 22 5.883 -10.948 -3.150 1.00 0.00 H new ATOM 0 HA3 GLY A 22 5.472 -10.949 -1.446 1.00 0.00 H new ATOM 337 N ILE A 23 3.834 -12.738 -2.260 1.00 0.00 N ATOM 338 CA ILE A 23 2.694 -13.621 -2.474 1.00 0.00 C ATOM 339 C ILE A 23 1.437 -13.065 -1.809 1.00 0.00 C ATOM 340 O ILE A 23 1.236 -13.222 -0.609 1.00 0.00 O ATOM 341 CB ILE A 23 2.976 -15.053 -1.960 1.00 0.00 C ATOM 342 CG1 ILE A 23 3.609 -15.020 -0.562 1.00 0.00 C ATOM 343 CG2 ILE A 23 3.874 -15.794 -2.941 1.00 0.00 C ATOM 344 CD1 ILE A 23 3.816 -16.390 0.049 1.00 0.00 C ATOM 0 H ILE A 23 4.593 -13.155 -1.721 1.00 0.00 H new ATOM 0 HA ILE A 23 2.528 -13.673 -3.550 1.00 0.00 H new ATOM 0 HB ILE A 23 2.028 -15.585 -1.884 1.00 0.00 H new ATOM 0 HG12 ILE A 23 4.571 -14.510 -0.621 1.00 0.00 H new ATOM 0 HG13 ILE A 23 2.975 -14.430 0.100 1.00 0.00 H new ATOM 0 HG21 ILE A 23 4.066 -16.801 -2.569 1.00 0.00 H new ATOM 0 HG22 ILE A 23 3.382 -15.853 -3.912 1.00 0.00 H new ATOM 0 HG23 ILE A 23 4.818 -15.259 -3.045 1.00 0.00 H new ATOM 0 HD11 ILE A 23 4.267 -16.284 1.036 1.00 0.00 H new ATOM 0 HD12 ILE A 23 2.855 -16.896 0.142 1.00 0.00 H new ATOM 0 HD13 ILE A 23 4.475 -16.978 -0.590 1.00 0.00 H new ATOM 356 N ARG A 24 0.612 -12.399 -2.617 1.00 0.00 N ATOM 357 CA ARG A 24 -0.634 -11.777 -2.161 1.00 0.00 C ATOM 358 C ARG A 24 -0.358 -10.513 -1.345 1.00 0.00 C ATOM 359 O ARG A 24 -1.197 -10.083 -0.552 1.00 0.00 O ATOM 360 CB ARG A 24 -1.489 -12.758 -1.346 1.00 0.00 C ATOM 361 CG ARG A 24 -2.063 -13.904 -2.167 1.00 0.00 C ATOM 362 CD ARG A 24 -3.091 -13.409 -3.174 1.00 0.00 C ATOM 363 NE ARG A 24 -4.239 -12.776 -2.521 1.00 0.00 N ATOM 364 CZ ARG A 24 -5.285 -12.266 -3.175 1.00 0.00 C ATOM 365 NH1 ARG A 24 -5.326 -12.305 -4.504 1.00 0.00 N ATOM 366 NH2 ARG A 24 -6.290 -11.720 -2.497 1.00 0.00 N ATOM 0 H ARG A 24 0.790 -12.274 -3.614 1.00 0.00 H new ATOM 0 HA ARG A 24 -1.195 -11.496 -3.052 1.00 0.00 H new ATOM 0 HB2 ARG A 24 -0.883 -13.170 -0.539 1.00 0.00 H new ATOM 0 HB3 ARG A 24 -2.309 -12.211 -0.881 1.00 0.00 H new ATOM 0 HG2 ARG A 24 -1.257 -14.417 -2.691 1.00 0.00 H new ATOM 0 HG3 ARG A 24 -2.526 -14.633 -1.502 1.00 0.00 H new ATOM 0 HD2 ARG A 24 -2.621 -12.696 -3.851 1.00 0.00 H new ATOM 0 HD3 ARG A 24 -3.436 -14.246 -3.781 1.00 0.00 H new ATOM 0 HE ARG A 24 -4.239 -12.721 -1.502 1.00 0.00 H new ATOM 0 HH11 ARG A 24 -4.557 -12.725 -5.026 1.00 0.00 H new ATOM 0 HH12 ARG A 24 -6.126 -11.915 -5.001 1.00 0.00 H new ATOM 0 HH21 ARG A 24 -6.261 -11.691 -1.478 1.00 0.00 H new ATOM 0 HH22 ARG A 24 -7.090 -11.330 -2.996 1.00 0.00 H new ATOM 380 N PHE A 25 0.802 -9.897 -1.574 1.00 0.00 N ATOM 381 CA PHE A 25 1.159 -8.661 -0.890 1.00 0.00 C ATOM 382 C PHE A 25 1.418 -7.594 -1.937 1.00 0.00 C ATOM 383 O PHE A 25 2.086 -7.853 -2.941 1.00 0.00 O ATOM 384 CB PHE A 25 2.422 -8.799 -0.021 1.00 0.00 C ATOM 385 CG PHE A 25 2.317 -9.703 1.185 1.00 0.00 C ATOM 386 CD1 PHE A 25 1.654 -10.916 1.129 1.00 0.00 C ATOM 387 CD2 PHE A 25 2.912 -9.333 2.381 1.00 0.00 C ATOM 388 CE1 PHE A 25 1.582 -11.740 2.236 1.00 0.00 C ATOM 389 CE2 PHE A 25 2.846 -10.152 3.492 1.00 0.00 C ATOM 390 CZ PHE A 25 2.180 -11.358 3.419 1.00 0.00 C ATOM 0 H PHE A 25 1.508 -10.236 -2.228 1.00 0.00 H new ATOM 0 HA PHE A 25 0.331 -8.401 -0.230 1.00 0.00 H new ATOM 0 HB2 PHE A 25 3.232 -9.165 -0.652 1.00 0.00 H new ATOM 0 HB3 PHE A 25 2.710 -7.805 0.322 1.00 0.00 H new ATOM 0 HD1 PHE A 25 1.185 -11.224 0.206 1.00 0.00 H new ATOM 0 HD2 PHE A 25 3.435 -8.390 2.446 1.00 0.00 H new ATOM 0 HE1 PHE A 25 1.058 -12.682 2.175 1.00 0.00 H new ATOM 0 HE2 PHE A 25 3.315 -9.848 4.416 1.00 0.00 H new ATOM 0 HZ PHE A 25 2.127 -12.001 4.285 1.00 0.00 H new ATOM 400 N LEU A 26 0.905 -6.407 -1.708 1.00 0.00 N ATOM 401 CA LEU A 26 1.096 -5.306 -2.639 1.00 0.00 C ATOM 402 C LEU A 26 1.923 -4.207 -2.002 1.00 0.00 C ATOM 403 O LEU A 26 1.930 -4.045 -0.782 1.00 0.00 O ATOM 404 CB LEU A 26 -0.242 -4.730 -3.115 1.00 0.00 C ATOM 405 CG LEU A 26 -0.993 -5.561 -4.160 1.00 0.00 C ATOM 406 CD1 LEU A 26 -1.618 -6.800 -3.536 1.00 0.00 C ATOM 407 CD2 LEU A 26 -2.052 -4.710 -4.842 1.00 0.00 C ATOM 0 H LEU A 26 0.350 -6.174 -0.885 1.00 0.00 H new ATOM 0 HA LEU A 26 1.626 -5.703 -3.505 1.00 0.00 H new ATOM 0 HB2 LEU A 26 -0.889 -4.601 -2.248 1.00 0.00 H new ATOM 0 HB3 LEU A 26 -0.062 -3.738 -3.529 1.00 0.00 H new ATOM 0 HG LEU A 26 -0.275 -5.896 -4.909 1.00 0.00 H new ATOM 0 HD11 LEU A 26 -2.144 -7.368 -4.303 1.00 0.00 H new ATOM 0 HD12 LEU A 26 -0.836 -7.420 -3.097 1.00 0.00 H new ATOM 0 HD13 LEU A 26 -2.322 -6.501 -2.760 1.00 0.00 H new ATOM 0 HD21 LEU A 26 -2.580 -5.311 -5.583 1.00 0.00 H new ATOM 0 HD22 LEU A 26 -2.761 -4.346 -4.098 1.00 0.00 H new ATOM 0 HD23 LEU A 26 -1.576 -3.862 -5.335 1.00 0.00 H new ATOM 419 N TYR A 27 2.605 -3.449 -2.835 1.00 0.00 N ATOM 420 CA TYR A 27 3.420 -2.345 -2.372 1.00 0.00 C ATOM 421 C TYR A 27 2.716 -1.044 -2.724 1.00 0.00 C ATOM 422 O TYR A 27 2.551 -0.721 -3.910 1.00 0.00 O ATOM 423 CB TYR A 27 4.808 -2.396 -3.020 1.00 0.00 C ATOM 424 CG TYR A 27 5.865 -1.625 -2.261 1.00 0.00 C ATOM 425 CD1 TYR A 27 6.038 -1.810 -0.896 1.00 0.00 C ATOM 426 CD2 TYR A 27 6.690 -0.715 -2.910 1.00 0.00 C ATOM 427 CE1 TYR A 27 7.000 -1.111 -0.196 1.00 0.00 C ATOM 428 CE2 TYR A 27 7.658 -0.011 -2.215 1.00 0.00 C ATOM 429 CZ TYR A 27 7.809 -0.214 -0.859 1.00 0.00 C ATOM 430 OH TYR A 27 8.764 0.489 -0.162 1.00 0.00 O ATOM 0 H TYR A 27 2.611 -3.579 -3.847 1.00 0.00 H new ATOM 0 HA TYR A 27 3.553 -2.412 -1.292 1.00 0.00 H new ATOM 0 HB2 TYR A 27 5.121 -3.437 -3.104 1.00 0.00 H new ATOM 0 HB3 TYR A 27 4.740 -2.000 -4.033 1.00 0.00 H new ATOM 0 HD1 TYR A 27 5.408 -2.514 -0.372 1.00 0.00 H new ATOM 0 HD2 TYR A 27 6.574 -0.555 -3.972 1.00 0.00 H new ATOM 0 HE1 TYR A 27 7.118 -1.266 0.866 1.00 0.00 H new ATOM 0 HE2 TYR A 27 8.292 0.694 -2.732 1.00 0.00 H new ATOM 0 HH TYR A 27 8.338 0.985 0.568 1.00 0.00 H new ATOM 440 N CYS A 28 2.275 -0.315 -1.708 1.00 0.00 N ATOM 441 CA CYS A 28 1.559 0.931 -1.935 1.00 0.00 C ATOM 442 C CYS A 28 1.999 2.001 -0.959 1.00 0.00 C ATOM 443 O CYS A 28 2.462 1.707 0.137 1.00 0.00 O ATOM 444 CB CYS A 28 0.054 0.741 -1.770 1.00 0.00 C ATOM 445 SG CYS A 28 -0.570 -0.917 -2.190 1.00 0.00 S ATOM 0 H CYS A 28 2.399 -0.563 -0.726 1.00 0.00 H new ATOM 0 HA CYS A 28 1.787 1.239 -2.955 1.00 0.00 H new ATOM 0 HB2 CYS A 28 -0.212 0.961 -0.736 1.00 0.00 H new ATOM 0 HB3 CYS A 28 -0.459 1.473 -2.394 1.00 0.00 H new ATOM 450 N CYS A 29 1.816 3.242 -1.353 1.00 0.00 N ATOM 451 CA CYS A 29 2.156 4.371 -0.498 1.00 0.00 C ATOM 452 C CYS A 29 0.918 4.842 0.244 1.00 0.00 C ATOM 453 O CYS A 29 -0.124 5.064 -0.371 1.00 0.00 O ATOM 454 CB CYS A 29 2.751 5.519 -1.307 1.00 0.00 C ATOM 455 SG CYS A 29 4.556 5.438 -1.532 1.00 0.00 S ATOM 0 H CYS A 29 1.433 3.501 -2.262 1.00 0.00 H new ATOM 0 HA CYS A 29 2.908 4.043 0.220 1.00 0.00 H new ATOM 0 HB2 CYS A 29 2.277 5.537 -2.288 1.00 0.00 H new ATOM 0 HB3 CYS A 29 2.502 6.459 -0.815 1.00 0.00 H new ATOM 460 N PRO A 30 1.017 4.983 1.572 1.00 0.00 N ATOM 461 CA PRO A 30 -0.101 5.408 2.420 1.00 0.00 C ATOM 462 C PRO A 30 -0.604 6.805 2.095 1.00 0.00 C ATOM 463 O PRO A 30 0.186 7.728 1.863 1.00 0.00 O ATOM 464 CB PRO A 30 0.480 5.384 3.837 1.00 0.00 C ATOM 465 CG PRO A 30 1.957 5.432 3.651 1.00 0.00 C ATOM 466 CD PRO A 30 2.228 4.718 2.360 1.00 0.00 C ATOM 0 HA PRO A 30 -0.963 4.756 2.279 1.00 0.00 H new ATOM 0 HB2 PRO A 30 0.128 6.234 4.422 1.00 0.00 H new ATOM 0 HB3 PRO A 30 0.179 4.483 4.371 1.00 0.00 H new ATOM 0 HG2 PRO A 30 2.313 6.461 3.611 1.00 0.00 H new ATOM 0 HG3 PRO A 30 2.472 4.949 4.481 1.00 0.00 H new ATOM 0 HD2 PRO A 30 3.121 5.101 1.867 1.00 0.00 H new ATOM 0 HD3 PRO A 30 2.383 3.650 2.515 1.00 0.00 H new ATOM 474 N ARG A 31 -1.919 6.948 2.092 1.00 0.00 N ATOM 475 CA ARG A 31 -2.565 8.221 1.815 1.00 0.00 C ATOM 476 C ARG A 31 -2.122 9.275 2.830 1.00 0.00 C ATOM 477 O ARG A 31 -1.345 10.169 2.489 1.00 0.00 O ATOM 478 CB ARG A 31 -4.092 8.033 1.837 1.00 0.00 C ATOM 479 CG ARG A 31 -4.917 9.313 1.961 1.00 0.00 C ATOM 480 CD ARG A 31 -4.573 10.348 0.899 1.00 0.00 C ATOM 481 NE ARG A 31 -3.894 11.502 1.487 1.00 0.00 N ATOM 482 CZ ARG A 31 -3.641 12.641 0.856 1.00 0.00 C ATOM 483 NH1 ARG A 31 -4.016 12.810 -0.409 1.00 0.00 N ATOM 484 NH2 ARG A 31 -3.014 13.612 1.506 1.00 0.00 N ATOM 0 H ARG A 31 -2.569 6.185 2.281 1.00 0.00 H new ATOM 0 HA ARG A 31 -2.271 8.572 0.826 1.00 0.00 H new ATOM 0 HB2 ARG A 31 -4.389 7.519 0.923 1.00 0.00 H new ATOM 0 HB3 ARG A 31 -4.347 7.377 2.669 1.00 0.00 H new ATOM 0 HG2 ARG A 31 -5.976 9.065 1.889 1.00 0.00 H new ATOM 0 HG3 ARG A 31 -4.758 9.747 2.948 1.00 0.00 H new ATOM 0 HD2 ARG A 31 -3.936 9.896 0.139 1.00 0.00 H new ATOM 0 HD3 ARG A 31 -5.484 10.675 0.397 1.00 0.00 H new ATOM 0 HE ARG A 31 -3.591 11.425 2.458 1.00 0.00 H new ATOM 0 HH11 ARG A 31 -4.502 12.061 -0.901 1.00 0.00 H new ATOM 0 HH12 ARG A 31 -3.817 13.689 -0.887 1.00 0.00 H new ATOM 0 HH21 ARG A 31 -2.733 13.477 2.477 1.00 0.00 H new ATOM 0 HH22 ARG A 31 -2.812 14.494 1.035 1.00 0.00 H new ATOM 498 N ARG A 32 -2.618 9.150 4.063 1.00 0.00 N ATOM 499 CA ARG A 32 -2.305 10.077 5.156 1.00 0.00 C ATOM 500 C ARG A 32 -2.907 11.461 4.894 1.00 0.00 C ATOM 501 O ARG A 32 -3.657 11.939 5.766 1.00 0.00 O ATOM 502 CB ARG A 32 -0.789 10.178 5.394 1.00 0.00 C ATOM 503 CG ARG A 32 -0.377 11.192 6.464 1.00 0.00 C ATOM 504 CD ARG A 32 -0.961 10.870 7.840 1.00 0.00 C ATOM 505 NE ARG A 32 -2.377 11.225 7.936 1.00 0.00 N ATOM 506 CZ ARG A 32 -3.130 11.059 9.019 1.00 0.00 C ATOM 507 NH1 ARG A 32 -2.609 10.560 10.136 1.00 0.00 N ATOM 508 NH2 ARG A 32 -4.412 11.403 8.976 1.00 0.00 N ATOM 509 OXT ARG A 32 -2.632 12.052 3.831 1.00 0.00 O ATOM 0 H ARG A 32 -3.252 8.399 4.334 1.00 0.00 H new ATOM 0 HA ARG A 32 -2.757 9.675 6.063 1.00 0.00 H new ATOM 0 HB2 ARG A 32 -0.413 9.195 5.680 1.00 0.00 H new ATOM 0 HB3 ARG A 32 -0.304 10.444 4.455 1.00 0.00 H new ATOM 0 HG2 ARG A 32 0.710 11.219 6.533 1.00 0.00 H new ATOM 0 HG3 ARG A 32 -0.702 12.187 6.160 1.00 0.00 H new ATOM 0 HD2 ARG A 32 -0.840 9.806 8.044 1.00 0.00 H new ATOM 0 HD3 ARG A 32 -0.401 11.407 8.605 1.00 0.00 H new ATOM 0 HE ARG A 32 -2.819 11.630 7.111 1.00 0.00 H new ATOM 0 HH11 ARG A 32 -1.623 10.301 10.167 1.00 0.00 H new ATOM 0 HH12 ARG A 32 -3.195 10.437 10.961 1.00 0.00 H new ATOM 0 HH21 ARG A 32 -4.808 11.789 8.119 1.00 0.00 H new ATOM 0 HH22 ARG A 32 -5.001 11.281 9.800 1.00 0.00 H new TER 523 ARG A 32