USER MOD reduce.3.24.130724 H: found=0, std=0, add=266, rem=0, adj=5 USER MOD reduce.3.24.130724 removed 266 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+ -109:sc= 0.0364 (180deg=0) USER MOD Single : A 5 TYR OH : rot 180:sc= 0 USER MOD Single : A 8 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 10 HIS : no HD1:sc= -0.0784 X(o=-0.078,f=-0.54) USER MOD Single : A 12 LYS NZ :NH3+ -105:sc= 1.22 (180deg=-0.232) USER MOD Single : A 20 THR OG1 : rot 180:sc= 0.00589 USER MOD Single : A 27 TYR OH : rot 180:sc= -0.0845 USER MOD ----------------------------------------------------------------- ATOM 1 N GLY A 1 6.691 16.465 -2.166 1.00 0.00 N ATOM 2 CA GLY A 1 6.589 15.356 -1.184 1.00 0.00 C ATOM 3 C GLY A 1 5.906 14.153 -1.787 1.00 0.00 C ATOM 4 O GLY A 1 5.032 14.307 -2.635 1.00 0.00 O ATOM 0 H1 GLY A 1 7.682 16.580 -2.459 1.00 0.00 H new ATOM 0 H2 GLY A 1 6.107 16.246 -2.999 1.00 0.00 H new ATOM 0 H3 GLY A 1 6.355 17.347 -1.730 1.00 0.00 H new ATOM 0 HA2 GLY A 1 7.586 15.078 -0.841 1.00 0.00 H new ATOM 0 HA3 GLY A 1 6.033 15.692 -0.309 1.00 0.00 H new ATOM 10 N LEU A 2 6.309 12.963 -1.364 1.00 0.00 N ATOM 11 CA LEU A 2 5.734 11.724 -1.873 1.00 0.00 C ATOM 12 C LEU A 2 6.089 10.575 -0.941 1.00 0.00 C ATOM 13 O LEU A 2 7.156 10.579 -0.329 1.00 0.00 O ATOM 14 CB LEU A 2 6.226 11.417 -3.299 1.00 0.00 C ATOM 15 CG LEU A 2 7.704 11.018 -3.438 1.00 0.00 C ATOM 16 CD1 LEU A 2 7.945 10.356 -4.785 1.00 0.00 C ATOM 17 CD2 LEU A 2 8.617 12.227 -3.283 1.00 0.00 C ATOM 0 H LEU A 2 7.038 12.828 -0.664 1.00 0.00 H new ATOM 0 HA LEU A 2 4.651 11.844 -1.913 1.00 0.00 H new ATOM 0 HB2 LEU A 2 5.614 10.612 -3.706 1.00 0.00 H new ATOM 0 HB3 LEU A 2 6.049 12.296 -3.919 1.00 0.00 H new ATOM 0 HG LEU A 2 7.937 10.310 -2.643 1.00 0.00 H new ATOM 0 HD11 LEU A 2 8.995 10.078 -4.871 1.00 0.00 H new ATOM 0 HD12 LEU A 2 7.326 9.463 -4.868 1.00 0.00 H new ATOM 0 HD13 LEU A 2 7.687 11.052 -5.584 1.00 0.00 H new ATOM 0 HD21 LEU A 2 9.656 11.914 -3.386 1.00 0.00 H new ATOM 0 HD22 LEU A 2 8.381 12.962 -4.053 1.00 0.00 H new ATOM 0 HD23 LEU A 2 8.468 12.672 -2.299 1.00 0.00 H new ATOM 29 N LEU A 3 5.192 9.605 -0.836 1.00 0.00 N ATOM 30 CA LEU A 3 5.394 8.450 0.017 1.00 0.00 C ATOM 31 C LEU A 3 4.353 7.390 -0.305 1.00 0.00 C ATOM 32 O LEU A 3 3.188 7.700 -0.553 1.00 0.00 O ATOM 33 CB LEU A 3 5.348 8.847 1.505 1.00 0.00 C ATOM 34 CG LEU A 3 4.180 9.747 1.933 1.00 0.00 C ATOM 35 CD1 LEU A 3 2.958 8.923 2.307 1.00 0.00 C ATOM 36 CD2 LEU A 3 4.597 10.638 3.092 1.00 0.00 C ATOM 0 H LEU A 3 4.306 9.599 -1.341 1.00 0.00 H new ATOM 0 HA LEU A 3 6.384 8.036 -0.175 1.00 0.00 H new ATOM 0 HB2 LEU A 3 5.314 7.935 2.101 1.00 0.00 H new ATOM 0 HB3 LEU A 3 6.280 9.355 1.753 1.00 0.00 H new ATOM 0 HG LEU A 3 3.911 10.377 1.085 1.00 0.00 H new ATOM 0 HD11 LEU A 3 2.148 9.588 2.606 1.00 0.00 H new ATOM 0 HD12 LEU A 3 2.643 8.330 1.449 1.00 0.00 H new ATOM 0 HD13 LEU A 3 3.206 8.259 3.135 1.00 0.00 H new ATOM 0 HD21 LEU A 3 3.759 11.270 3.385 1.00 0.00 H new ATOM 0 HD22 LEU A 3 4.897 10.019 3.937 1.00 0.00 H new ATOM 0 HD23 LEU A 3 5.435 11.265 2.786 1.00 0.00 H new ATOM 48 N CYS A 4 4.788 6.149 -0.322 1.00 0.00 N ATOM 49 CA CYS A 4 3.916 5.024 -0.627 1.00 0.00 C ATOM 50 C CYS A 4 4.277 3.843 0.261 1.00 0.00 C ATOM 51 O CYS A 4 5.363 3.809 0.845 1.00 0.00 O ATOM 52 CB CYS A 4 4.041 4.622 -2.094 1.00 0.00 C ATOM 53 SG CYS A 4 3.816 5.987 -3.282 1.00 0.00 S ATOM 0 H CYS A 4 5.754 5.886 -0.126 1.00 0.00 H new ATOM 0 HA CYS A 4 2.885 5.324 -0.439 1.00 0.00 H new ATOM 0 HB2 CYS A 4 5.024 4.179 -2.252 1.00 0.00 H new ATOM 0 HB3 CYS A 4 3.305 3.847 -2.308 1.00 0.00 H new ATOM 58 N TYR A 5 3.367 2.884 0.380 1.00 0.00 N ATOM 59 CA TYR A 5 3.596 1.716 1.221 1.00 0.00 C ATOM 60 C TYR A 5 3.056 0.448 0.576 1.00 0.00 C ATOM 61 O TYR A 5 1.963 0.444 0.008 1.00 0.00 O ATOM 62 CB TYR A 5 2.909 1.879 2.584 1.00 0.00 C ATOM 63 CG TYR A 5 3.218 3.169 3.316 1.00 0.00 C ATOM 64 CD1 TYR A 5 2.513 4.335 3.038 1.00 0.00 C ATOM 65 CD2 TYR A 5 4.211 3.220 4.285 1.00 0.00 C ATOM 66 CE1 TYR A 5 2.787 5.511 3.707 1.00 0.00 C ATOM 67 CE2 TYR A 5 4.492 4.393 4.959 1.00 0.00 C ATOM 68 CZ TYR A 5 3.777 5.536 4.664 1.00 0.00 C ATOM 69 OH TYR A 5 4.047 6.706 5.335 1.00 0.00 O ATOM 0 H TYR A 5 2.464 2.892 -0.095 1.00 0.00 H new ATOM 0 HA TYR A 5 4.675 1.632 1.348 1.00 0.00 H new ATOM 0 HB2 TYR A 5 1.831 1.812 2.439 1.00 0.00 H new ATOM 0 HB3 TYR A 5 3.197 1.042 3.220 1.00 0.00 H new ATOM 0 HD1 TYR A 5 1.738 4.320 2.286 1.00 0.00 H new ATOM 0 HD2 TYR A 5 4.773 2.327 4.516 1.00 0.00 H new ATOM 0 HE1 TYR A 5 2.228 6.407 3.481 1.00 0.00 H new ATOM 0 HE2 TYR A 5 5.266 4.415 5.712 1.00 0.00 H new ATOM 0 HH TYR A 5 4.772 6.555 5.977 1.00 0.00 H new ATOM 79 N CYS A 6 3.809 -0.635 0.710 1.00 0.00 N ATOM 80 CA CYS A 6 3.390 -1.930 0.197 1.00 0.00 C ATOM 81 C CYS A 6 2.422 -2.557 1.179 1.00 0.00 C ATOM 82 O CYS A 6 2.684 -2.586 2.384 1.00 0.00 O ATOM 83 CB CYS A 6 4.579 -2.874 0.014 1.00 0.00 C ATOM 84 SG CYS A 6 5.732 -2.400 -1.308 1.00 0.00 S ATOM 0 H CYS A 6 4.718 -0.641 1.173 1.00 0.00 H new ATOM 0 HA CYS A 6 2.920 -1.775 -0.774 1.00 0.00 H new ATOM 0 HB2 CYS A 6 5.129 -2.930 0.954 1.00 0.00 H new ATOM 0 HB3 CYS A 6 4.201 -3.875 -0.194 1.00 0.00 H new ATOM 89 N ARG A 7 1.311 -3.049 0.681 1.00 0.00 N ATOM 90 CA ARG A 7 0.317 -3.669 1.544 1.00 0.00 C ATOM 91 C ARG A 7 -0.205 -4.954 0.937 1.00 0.00 C ATOM 92 O ARG A 7 -0.341 -5.075 -0.279 1.00 0.00 O ATOM 93 CB ARG A 7 -0.831 -2.712 1.842 1.00 0.00 C ATOM 94 CG ARG A 7 -0.359 -1.380 2.392 1.00 0.00 C ATOM 95 CD ARG A 7 -1.485 -0.597 3.030 1.00 0.00 C ATOM 96 NE ARG A 7 -1.048 0.736 3.438 1.00 0.00 N ATOM 97 CZ ARG A 7 -0.193 0.994 4.425 1.00 0.00 C ATOM 98 NH1 ARG A 7 0.303 0.009 5.169 1.00 0.00 N ATOM 99 NH2 ARG A 7 0.158 2.252 4.670 1.00 0.00 N ATOM 0 H ARG A 7 1.068 -3.035 -0.310 1.00 0.00 H new ATOM 0 HA ARG A 7 0.807 -3.911 2.487 1.00 0.00 H new ATOM 0 HB2 ARG A 7 -1.402 -2.541 0.929 1.00 0.00 H new ATOM 0 HB3 ARG A 7 -1.508 -3.176 2.559 1.00 0.00 H new ATOM 0 HG2 ARG A 7 0.426 -1.550 3.128 1.00 0.00 H new ATOM 0 HG3 ARG A 7 0.081 -0.791 1.587 1.00 0.00 H new ATOM 0 HD2 ARG A 7 -2.313 -0.510 2.326 1.00 0.00 H new ATOM 0 HD3 ARG A 7 -1.860 -1.139 3.898 1.00 0.00 H new ATOM 0 HE ARG A 7 -1.428 1.532 2.926 1.00 0.00 H new ATOM 0 HH11 ARG A 7 0.029 -0.956 4.986 1.00 0.00 H new ATOM 0 HH12 ARG A 7 0.957 0.219 5.923 1.00 0.00 H new ATOM 0 HH21 ARG A 7 -0.227 3.008 4.104 1.00 0.00 H new ATOM 0 HH22 ARG A 7 0.812 2.461 5.424 1.00 0.00 H new ATOM 113 N LYS A 8 -0.466 -5.915 1.796 1.00 0.00 N ATOM 114 CA LYS A 8 -0.943 -7.217 1.374 1.00 0.00 C ATOM 115 C LYS A 8 -2.461 -7.262 1.261 1.00 0.00 C ATOM 116 O LYS A 8 -3.183 -6.985 2.223 1.00 0.00 O ATOM 117 CB LYS A 8 -0.456 -8.280 2.361 1.00 0.00 C ATOM 118 CG LYS A 8 -0.895 -9.700 2.027 1.00 0.00 C ATOM 119 CD LYS A 8 -0.232 -10.714 2.949 1.00 0.00 C ATOM 120 CE LYS A 8 -0.538 -10.431 4.414 1.00 0.00 C ATOM 121 NZ LYS A 8 0.203 -11.346 5.325 1.00 0.00 N ATOM 0 H LYS A 8 -0.354 -5.818 2.805 1.00 0.00 H new ATOM 0 HA LYS A 8 -0.540 -7.417 0.381 1.00 0.00 H new ATOM 0 HB2 LYS A 8 0.633 -8.250 2.400 1.00 0.00 H new ATOM 0 HB3 LYS A 8 -0.818 -8.026 3.357 1.00 0.00 H new ATOM 0 HG2 LYS A 8 -1.979 -9.778 2.116 1.00 0.00 H new ATOM 0 HG3 LYS A 8 -0.643 -9.927 0.991 1.00 0.00 H new ATOM 0 HD2 LYS A 8 -0.575 -11.717 2.693 1.00 0.00 H new ATOM 0 HD3 LYS A 8 0.847 -10.696 2.793 1.00 0.00 H new ATOM 0 HE2 LYS A 8 -0.277 -9.399 4.646 1.00 0.00 H new ATOM 0 HE3 LYS A 8 -1.609 -10.536 4.588 1.00 0.00 H new ATOM 0 HZ1 LYS A 8 -0.034 -11.120 6.312 1.00 0.00 H new ATOM 0 HZ2 LYS A 8 -0.065 -12.330 5.122 1.00 0.00 H new ATOM 0 HZ3 LYS A 8 1.226 -11.228 5.179 1.00 0.00 H new ATOM 135 N GLY A 9 -2.933 -7.651 0.089 1.00 0.00 N ATOM 136 CA GLY A 9 -4.358 -7.785 -0.149 1.00 0.00 C ATOM 137 C GLY A 9 -5.080 -6.497 -0.489 1.00 0.00 C ATOM 138 O GLY A 9 -5.905 -6.479 -1.398 1.00 0.00 O ATOM 0 H GLY A 9 -2.347 -7.880 -0.714 1.00 0.00 H new ATOM 0 HA2 GLY A 9 -4.509 -8.493 -0.964 1.00 0.00 H new ATOM 0 HA3 GLY A 9 -4.819 -8.218 0.739 1.00 0.00 H new ATOM 142 N HIS A 10 -4.807 -5.427 0.242 1.00 0.00 N ATOM 143 CA HIS A 10 -5.490 -4.157 -0.012 1.00 0.00 C ATOM 144 C HIS A 10 -4.805 -2.983 0.663 1.00 0.00 C ATOM 145 O HIS A 10 -4.074 -3.144 1.641 1.00 0.00 O ATOM 146 CB HIS A 10 -6.948 -4.209 0.462 1.00 0.00 C ATOM 147 CG HIS A 10 -7.106 -4.472 1.932 1.00 0.00 C ATOM 148 ND1 HIS A 10 -6.738 -5.659 2.535 1.00 0.00 N ATOM 149 CD2 HIS A 10 -7.580 -3.683 2.927 1.00 0.00 C ATOM 150 CE1 HIS A 10 -6.981 -5.587 3.831 1.00 0.00 C ATOM 151 NE2 HIS A 10 -7.489 -4.399 4.096 1.00 0.00 N ATOM 0 H HIS A 10 -4.130 -5.406 1.005 1.00 0.00 H new ATOM 0 HA HIS A 10 -5.452 -4.008 -1.091 1.00 0.00 H new ATOM 0 HB2 HIS A 10 -7.432 -3.263 0.219 1.00 0.00 H new ATOM 0 HB3 HIS A 10 -7.472 -4.987 -0.094 1.00 0.00 H new ATOM 0 HD2 HIS A 10 -7.959 -2.677 2.821 1.00 0.00 H new ATOM 0 HE1 HIS A 10 -6.795 -6.369 4.552 1.00 0.00 H new ATOM 0 HE2 HIS A 10 -7.769 -4.066 5.019 1.00 0.00 H new ATOM 160 N CYS A 11 -5.076 -1.806 0.129 1.00 0.00 N ATOM 161 CA CYS A 11 -4.529 -0.560 0.646 1.00 0.00 C ATOM 162 C CYS A 11 -5.422 0.010 1.741 1.00 0.00 C ATOM 163 O CYS A 11 -6.550 -0.455 1.946 1.00 0.00 O ATOM 164 CB CYS A 11 -4.408 0.470 -0.484 1.00 0.00 C ATOM 165 SG CYS A 11 -3.653 -0.195 -2.001 1.00 0.00 S ATOM 0 H CYS A 11 -5.685 -1.685 -0.680 1.00 0.00 H new ATOM 0 HA CYS A 11 -3.544 -0.772 1.062 1.00 0.00 H new ATOM 0 HB2 CYS A 11 -5.400 0.855 -0.721 1.00 0.00 H new ATOM 0 HB3 CYS A 11 -3.814 1.314 -0.133 1.00 0.00 H new ATOM 170 N LYS A 12 -4.925 1.040 2.409 1.00 0.00 N ATOM 171 CA LYS A 12 -5.676 1.725 3.447 1.00 0.00 C ATOM 172 C LYS A 12 -6.790 2.526 2.781 1.00 0.00 C ATOM 173 O LYS A 12 -6.663 2.879 1.606 1.00 0.00 O ATOM 174 CB LYS A 12 -4.733 2.654 4.220 1.00 0.00 C ATOM 175 CG LYS A 12 -5.395 3.532 5.269 1.00 0.00 C ATOM 176 CD LYS A 12 -4.591 4.808 5.487 1.00 0.00 C ATOM 177 CE LYS A 12 -3.146 4.508 5.864 1.00 0.00 C ATOM 178 NZ LYS A 12 -2.221 5.598 5.444 1.00 0.00 N ATOM 0 H LYS A 12 -3.993 1.422 2.247 1.00 0.00 H new ATOM 0 HA LYS A 12 -6.111 1.011 4.147 1.00 0.00 H new ATOM 0 HB2 LYS A 12 -3.972 2.046 4.708 1.00 0.00 H new ATOM 0 HB3 LYS A 12 -4.218 3.297 3.506 1.00 0.00 H new ATOM 0 HG2 LYS A 12 -6.408 3.783 4.954 1.00 0.00 H new ATOM 0 HG3 LYS A 12 -5.480 2.985 6.208 1.00 0.00 H new ATOM 0 HD2 LYS A 12 -4.612 5.411 4.579 1.00 0.00 H new ATOM 0 HD3 LYS A 12 -5.057 5.401 6.274 1.00 0.00 H new ATOM 0 HE2 LYS A 12 -3.075 4.368 6.943 1.00 0.00 H new ATOM 0 HE3 LYS A 12 -2.837 3.572 5.399 1.00 0.00 H new ATOM 0 HZ1 LYS A 12 -1.681 5.293 4.609 1.00 0.00 H new ATOM 0 HZ2 LYS A 12 -2.771 6.449 5.209 1.00 0.00 H new ATOM 0 HZ3 LYS A 12 -1.564 5.814 6.221 1.00 0.00 H new ATOM 192 N ARG A 13 -7.867 2.809 3.515 1.00 0.00 N ATOM 193 CA ARG A 13 -8.997 3.580 2.981 1.00 0.00 C ATOM 194 C ARG A 13 -8.594 5.031 2.710 1.00 0.00 C ATOM 195 O ARG A 13 -9.119 5.966 3.311 1.00 0.00 O ATOM 196 CB ARG A 13 -10.181 3.535 3.947 1.00 0.00 C ATOM 197 CG ARG A 13 -10.821 2.162 4.065 1.00 0.00 C ATOM 198 CD ARG A 13 -11.363 1.680 2.728 1.00 0.00 C ATOM 199 NE ARG A 13 -12.070 0.404 2.849 1.00 0.00 N ATOM 200 CZ ARG A 13 -12.614 -0.249 1.820 1.00 0.00 C ATOM 201 NH1 ARG A 13 -12.516 0.241 0.588 1.00 0.00 N ATOM 202 NH2 ARG A 13 -13.255 -1.396 2.026 1.00 0.00 N ATOM 0 H ARG A 13 -7.983 2.516 4.485 1.00 0.00 H new ATOM 0 HA ARG A 13 -9.295 3.125 2.036 1.00 0.00 H new ATOM 0 HB2 ARG A 13 -9.846 3.856 4.933 1.00 0.00 H new ATOM 0 HB3 ARG A 13 -10.935 4.250 3.618 1.00 0.00 H new ATOM 0 HG2 ARG A 13 -10.087 1.449 4.439 1.00 0.00 H new ATOM 0 HG3 ARG A 13 -11.630 2.199 4.794 1.00 0.00 H new ATOM 0 HD2 ARG A 13 -12.039 2.431 2.319 1.00 0.00 H new ATOM 0 HD3 ARG A 13 -10.540 1.573 2.021 1.00 0.00 H new ATOM 0 HE ARG A 13 -12.152 -0.012 3.777 1.00 0.00 H new ATOM 0 HH11 ARG A 13 -12.023 1.119 0.426 1.00 0.00 H new ATOM 0 HH12 ARG A 13 -12.933 -0.262 -0.195 1.00 0.00 H new ATOM 0 HH21 ARG A 13 -13.330 -1.776 2.970 1.00 0.00 H new ATOM 0 HH22 ARG A 13 -13.671 -1.896 1.240 1.00 0.00 H new ATOM 216 N GLY A 14 -7.646 5.195 1.809 1.00 0.00 N ATOM 217 CA GLY A 14 -7.147 6.500 1.458 1.00 0.00 C ATOM 218 C GLY A 14 -5.995 6.415 0.476 1.00 0.00 C ATOM 219 O GLY A 14 -5.732 7.366 -0.260 1.00 0.00 O ATOM 0 H GLY A 14 -7.204 4.427 1.304 1.00 0.00 H new ATOM 0 HA2 GLY A 14 -7.952 7.093 1.024 1.00 0.00 H new ATOM 0 HA3 GLY A 14 -6.820 7.019 2.359 1.00 0.00 H new ATOM 223 N GLU A 15 -5.301 5.279 0.463 1.00 0.00 N ATOM 224 CA GLU A 15 -4.180 5.094 -0.433 1.00 0.00 C ATOM 225 C GLU A 15 -4.622 4.417 -1.716 1.00 0.00 C ATOM 226 O GLU A 15 -5.322 3.406 -1.696 1.00 0.00 O ATOM 227 CB GLU A 15 -3.095 4.285 0.263 1.00 0.00 C ATOM 228 CG GLU A 15 -2.639 4.928 1.559 1.00 0.00 C ATOM 229 CD GLU A 15 -1.984 3.944 2.495 1.00 0.00 C ATOM 230 OE1 GLU A 15 -2.361 2.764 2.454 1.00 0.00 O ATOM 231 OE2 GLU A 15 -1.134 4.356 3.319 1.00 0.00 O ATOM 0 H GLU A 15 -5.500 4.479 1.064 1.00 0.00 H new ATOM 0 HA GLU A 15 -3.774 6.070 -0.698 1.00 0.00 H new ATOM 0 HB2 GLU A 15 -3.469 3.282 0.470 1.00 0.00 H new ATOM 0 HB3 GLU A 15 -2.241 4.176 -0.406 1.00 0.00 H new ATOM 0 HG2 GLU A 15 -1.938 5.732 1.334 1.00 0.00 H new ATOM 0 HG3 GLU A 15 -3.496 5.382 2.056 1.00 0.00 H new ATOM 238 N ARG A 16 -4.204 4.990 -2.824 1.00 0.00 N ATOM 239 CA ARG A 16 -4.538 4.455 -4.136 1.00 0.00 C ATOM 240 C ARG A 16 -3.420 3.552 -4.634 1.00 0.00 C ATOM 241 O ARG A 16 -2.241 3.849 -4.443 1.00 0.00 O ATOM 242 CB ARG A 16 -4.793 5.578 -5.150 1.00 0.00 C ATOM 243 CG ARG A 16 -3.585 6.464 -5.415 1.00 0.00 C ATOM 244 CD ARG A 16 -3.476 6.829 -6.887 1.00 0.00 C ATOM 245 NE ARG A 16 -3.212 5.654 -7.725 1.00 0.00 N ATOM 246 CZ ARG A 16 -3.109 5.686 -9.055 1.00 0.00 C ATOM 247 NH1 ARG A 16 -3.257 6.834 -9.712 1.00 0.00 N ATOM 248 NH2 ARG A 16 -2.856 4.567 -9.726 1.00 0.00 N ATOM 0 H ARG A 16 -3.628 5.832 -2.847 1.00 0.00 H new ATOM 0 HA ARG A 16 -5.455 3.874 -4.036 1.00 0.00 H new ATOM 0 HB2 ARG A 16 -5.119 5.135 -6.091 1.00 0.00 H new ATOM 0 HB3 ARG A 16 -5.613 6.199 -4.789 1.00 0.00 H new ATOM 0 HG2 ARG A 16 -3.661 7.373 -4.818 1.00 0.00 H new ATOM 0 HG3 ARG A 16 -2.678 5.949 -5.098 1.00 0.00 H new ATOM 0 HD2 ARG A 16 -4.401 7.306 -7.212 1.00 0.00 H new ATOM 0 HD3 ARG A 16 -2.677 7.558 -7.022 1.00 0.00 H new ATOM 0 HE ARG A 16 -3.100 4.753 -7.260 1.00 0.00 H new ATOM 0 HH11 ARG A 16 -3.450 7.694 -9.199 1.00 0.00 H new ATOM 0 HH12 ARG A 16 -3.177 6.854 -10.729 1.00 0.00 H new ATOM 0 HH21 ARG A 16 -2.741 3.686 -9.224 1.00 0.00 H new ATOM 0 HH22 ARG A 16 -2.777 4.589 -10.743 1.00 0.00 H new ATOM 262 N VAL A 17 -3.791 2.455 -5.265 1.00 0.00 N ATOM 263 CA VAL A 17 -2.818 1.509 -5.785 1.00 0.00 C ATOM 264 C VAL A 17 -2.009 2.124 -6.922 1.00 0.00 C ATOM 265 O VAL A 17 -2.557 2.494 -7.963 1.00 0.00 O ATOM 266 CB VAL A 17 -3.498 0.225 -6.305 1.00 0.00 C ATOM 267 CG1 VAL A 17 -2.461 -0.823 -6.680 1.00 0.00 C ATOM 268 CG2 VAL A 17 -4.475 -0.329 -5.279 1.00 0.00 C ATOM 0 H VAL A 17 -4.763 2.194 -5.431 1.00 0.00 H new ATOM 0 HA VAL A 17 -2.156 1.255 -4.957 1.00 0.00 H new ATOM 0 HB VAL A 17 -4.061 0.484 -7.202 1.00 0.00 H new ATOM 0 HG11 VAL A 17 -2.964 -1.719 -7.044 1.00 0.00 H new ATOM 0 HG12 VAL A 17 -1.812 -0.429 -7.462 1.00 0.00 H new ATOM 0 HG13 VAL A 17 -1.863 -1.073 -5.804 1.00 0.00 H new ATOM 0 HG21 VAL A 17 -4.940 -1.234 -5.671 1.00 0.00 H new ATOM 0 HG22 VAL A 17 -3.941 -0.565 -4.359 1.00 0.00 H new ATOM 0 HG23 VAL A 17 -5.245 0.414 -5.071 1.00 0.00 H new ATOM 278 N ARG A 18 -0.704 2.199 -6.728 1.00 0.00 N ATOM 279 CA ARG A 18 0.191 2.717 -7.744 1.00 0.00 C ATOM 280 C ARG A 18 0.668 1.557 -8.595 1.00 0.00 C ATOM 281 O ARG A 18 0.824 1.678 -9.809 1.00 0.00 O ATOM 282 CB ARG A 18 1.398 3.445 -7.136 1.00 0.00 C ATOM 283 CG ARG A 18 2.446 3.827 -8.176 1.00 0.00 C ATOM 284 CD ARG A 18 3.707 4.407 -7.552 1.00 0.00 C ATOM 285 NE ARG A 18 3.527 5.790 -7.109 1.00 0.00 N ATOM 286 CZ ARG A 18 4.505 6.538 -6.590 1.00 0.00 C ATOM 287 NH1 ARG A 18 5.725 6.032 -6.438 1.00 0.00 N ATOM 288 NH2 ARG A 18 4.259 7.790 -6.219 1.00 0.00 N ATOM 0 H ARG A 18 -0.239 1.905 -5.869 1.00 0.00 H new ATOM 0 HA ARG A 18 -0.352 3.446 -8.346 1.00 0.00 H new ATOM 0 HB2 ARG A 18 1.054 4.345 -6.626 1.00 0.00 H new ATOM 0 HB3 ARG A 18 1.858 2.807 -6.381 1.00 0.00 H new ATOM 0 HG2 ARG A 18 2.708 2.947 -8.763 1.00 0.00 H new ATOM 0 HG3 ARG A 18 2.019 4.555 -8.866 1.00 0.00 H new ATOM 0 HD2 ARG A 18 4.004 3.792 -6.702 1.00 0.00 H new ATOM 0 HD3 ARG A 18 4.520 4.364 -8.276 1.00 0.00 H new ATOM 0 HE ARG A 18 2.601 6.207 -7.202 1.00 0.00 H new ATOM 0 HH11 ARG A 18 5.917 5.070 -6.718 1.00 0.00 H new ATOM 0 HH12 ARG A 18 6.469 6.606 -6.041 1.00 0.00 H new ATOM 0 HH21 ARG A 18 3.323 8.180 -6.330 1.00 0.00 H new ATOM 0 HH22 ARG A 18 5.006 8.361 -5.823 1.00 0.00 H new ATOM 302 N GLY A 19 0.887 0.427 -7.938 1.00 0.00 N ATOM 303 CA GLY A 19 1.336 -0.755 -8.647 1.00 0.00 C ATOM 304 C GLY A 19 1.432 -1.970 -7.754 1.00 0.00 C ATOM 305 O GLY A 19 0.802 -2.026 -6.699 1.00 0.00 O ATOM 0 H GLY A 19 0.763 0.307 -6.933 1.00 0.00 H new ATOM 0 HA2 GLY A 19 0.649 -0.965 -9.466 1.00 0.00 H new ATOM 0 HA3 GLY A 19 2.311 -0.558 -9.092 1.00 0.00 H new ATOM 309 N THR A 20 2.220 -2.939 -8.178 1.00 0.00 N ATOM 310 CA THR A 20 2.406 -4.168 -7.426 1.00 0.00 C ATOM 311 C THR A 20 3.770 -4.199 -6.744 1.00 0.00 C ATOM 312 O THR A 20 4.763 -3.742 -7.307 1.00 0.00 O ATOM 313 CB THR A 20 2.269 -5.395 -8.345 1.00 0.00 C ATOM 314 OG1 THR A 20 2.997 -5.171 -9.560 1.00 0.00 O ATOM 315 CG2 THR A 20 0.807 -5.673 -8.663 1.00 0.00 C ATOM 0 H THR A 20 2.748 -2.899 -9.050 1.00 0.00 H new ATOM 0 HA THR A 20 1.630 -4.201 -6.661 1.00 0.00 H new ATOM 0 HB THR A 20 2.679 -6.263 -7.828 1.00 0.00 H new ATOM 0 HG1 THR A 20 2.910 -5.954 -10.143 1.00 0.00 H new ATOM 0 HG21 THR A 20 0.736 -6.544 -9.314 1.00 0.00 H new ATOM 0 HG22 THR A 20 0.264 -5.865 -7.738 1.00 0.00 H new ATOM 0 HG23 THR A 20 0.373 -4.808 -9.165 1.00 0.00 H new ATOM 323 N CYS A 21 3.809 -4.746 -5.540 1.00 0.00 N ATOM 324 CA CYS A 21 5.049 -4.849 -4.782 1.00 0.00 C ATOM 325 C CYS A 21 5.641 -6.241 -4.908 1.00 0.00 C ATOM 326 O CYS A 21 6.853 -6.414 -4.992 1.00 0.00 O ATOM 327 CB CYS A 21 4.803 -4.511 -3.314 1.00 0.00 C ATOM 328 SG CYS A 21 4.652 -2.725 -2.994 1.00 0.00 S ATOM 0 H CYS A 21 2.992 -5.128 -5.063 1.00 0.00 H new ATOM 0 HA CYS A 21 5.761 -4.133 -5.192 1.00 0.00 H new ATOM 0 HB2 CYS A 21 3.892 -5.010 -2.983 1.00 0.00 H new ATOM 0 HB3 CYS A 21 5.621 -4.911 -2.715 1.00 0.00 H new ATOM 333 N GLY A 22 4.769 -7.229 -4.924 1.00 0.00 N ATOM 334 CA GLY A 22 5.205 -8.598 -5.043 1.00 0.00 C ATOM 335 C GLY A 22 4.048 -9.558 -4.932 1.00 0.00 C ATOM 336 O GLY A 22 2.894 -9.167 -5.129 1.00 0.00 O ATOM 0 H GLY A 22 3.759 -7.106 -4.856 1.00 0.00 H new ATOM 0 HA2 GLY A 22 5.706 -8.739 -6.001 1.00 0.00 H new ATOM 0 HA3 GLY A 22 5.937 -8.817 -4.265 1.00 0.00 H new ATOM 340 N ILE A 23 4.351 -10.806 -4.608 1.00 0.00 N ATOM 341 CA ILE A 23 3.328 -11.829 -4.468 1.00 0.00 C ATOM 342 C ILE A 23 2.358 -11.476 -3.346 1.00 0.00 C ATOM 343 O ILE A 23 2.678 -11.635 -2.172 1.00 0.00 O ATOM 344 CB ILE A 23 3.951 -13.214 -4.188 1.00 0.00 C ATOM 345 CG1 ILE A 23 4.978 -13.562 -5.271 1.00 0.00 C ATOM 346 CG2 ILE A 23 2.865 -14.283 -4.121 1.00 0.00 C ATOM 347 CD1 ILE A 23 5.718 -14.858 -5.017 1.00 0.00 C ATOM 0 H ILE A 23 5.301 -11.135 -4.437 1.00 0.00 H new ATOM 0 HA ILE A 23 2.786 -11.873 -5.413 1.00 0.00 H new ATOM 0 HB ILE A 23 4.459 -13.179 -3.224 1.00 0.00 H new ATOM 0 HG12 ILE A 23 4.470 -13.627 -6.233 1.00 0.00 H new ATOM 0 HG13 ILE A 23 5.701 -12.750 -5.347 1.00 0.00 H new ATOM 0 HG21 ILE A 23 3.321 -15.253 -3.923 1.00 0.00 H new ATOM 0 HG22 ILE A 23 2.165 -14.041 -3.321 1.00 0.00 H new ATOM 0 HG23 ILE A 23 2.332 -14.320 -5.071 1.00 0.00 H new ATOM 0 HD11 ILE A 23 6.427 -15.037 -5.825 1.00 0.00 H new ATOM 0 HD12 ILE A 23 6.256 -14.791 -4.071 1.00 0.00 H new ATOM 0 HD13 ILE A 23 5.005 -15.681 -4.971 1.00 0.00 H new ATOM 359 N ARG A 24 1.177 -11.001 -3.744 1.00 0.00 N ATOM 360 CA ARG A 24 0.107 -10.613 -2.819 1.00 0.00 C ATOM 361 C ARG A 24 0.365 -9.266 -2.140 1.00 0.00 C ATOM 362 O ARG A 24 -0.275 -8.957 -1.133 1.00 0.00 O ATOM 363 CB ARG A 24 -0.133 -11.697 -1.759 1.00 0.00 C ATOM 364 CG ARG A 24 -0.754 -12.965 -2.323 1.00 0.00 C ATOM 365 CD ARG A 24 -1.219 -13.908 -1.225 1.00 0.00 C ATOM 366 NE ARG A 24 -2.395 -13.392 -0.520 1.00 0.00 N ATOM 367 CZ ARG A 24 -3.068 -14.073 0.409 1.00 0.00 C ATOM 368 NH1 ARG A 24 -2.673 -15.294 0.758 1.00 0.00 N ATOM 369 NH2 ARG A 24 -4.139 -13.534 0.986 1.00 0.00 N ATOM 0 H ARG A 24 0.932 -10.873 -4.726 1.00 0.00 H new ATOM 0 HA ARG A 24 -0.790 -10.503 -3.428 1.00 0.00 H new ATOM 0 HB2 ARG A 24 0.816 -11.946 -1.283 1.00 0.00 H new ATOM 0 HB3 ARG A 24 -0.784 -11.297 -0.982 1.00 0.00 H new ATOM 0 HG2 ARG A 24 -1.600 -12.703 -2.958 1.00 0.00 H new ATOM 0 HG3 ARG A 24 -0.027 -13.475 -2.955 1.00 0.00 H new ATOM 0 HD2 ARG A 24 -1.454 -14.881 -1.658 1.00 0.00 H new ATOM 0 HD3 ARG A 24 -0.408 -14.063 -0.513 1.00 0.00 H new ATOM 0 HE ARG A 24 -2.719 -12.454 -0.754 1.00 0.00 H new ATOM 0 HH11 ARG A 24 -1.854 -15.711 0.315 1.00 0.00 H new ATOM 0 HH12 ARG A 24 -3.189 -15.813 1.468 1.00 0.00 H new ATOM 0 HH21 ARG A 24 -4.446 -12.599 0.718 1.00 0.00 H new ATOM 0 HH22 ARG A 24 -4.653 -14.056 1.696 1.00 0.00 H new ATOM 383 N PHE A 25 1.258 -8.444 -2.690 1.00 0.00 N ATOM 384 CA PHE A 25 1.517 -7.137 -2.107 1.00 0.00 C ATOM 385 C PHE A 25 1.382 -6.065 -3.167 1.00 0.00 C ATOM 386 O PHE A 25 1.907 -6.198 -4.273 1.00 0.00 O ATOM 387 CB PHE A 25 2.898 -7.071 -1.447 1.00 0.00 C ATOM 388 CG PHE A 25 3.030 -7.982 -0.260 1.00 0.00 C ATOM 389 CD1 PHE A 25 3.214 -9.340 -0.434 1.00 0.00 C ATOM 390 CD2 PHE A 25 2.954 -7.480 1.030 1.00 0.00 C ATOM 391 CE1 PHE A 25 3.318 -10.186 0.650 1.00 0.00 C ATOM 392 CE2 PHE A 25 3.054 -8.323 2.120 1.00 0.00 C ATOM 393 CZ PHE A 25 3.236 -9.679 1.926 1.00 0.00 C ATOM 0 H PHE A 25 1.804 -8.658 -3.524 1.00 0.00 H new ATOM 0 HA PHE A 25 0.777 -6.965 -1.325 1.00 0.00 H new ATOM 0 HB2 PHE A 25 3.658 -7.332 -2.183 1.00 0.00 H new ATOM 0 HB3 PHE A 25 3.095 -6.046 -1.134 1.00 0.00 H new ATOM 0 HD1 PHE A 25 3.277 -9.745 -1.433 1.00 0.00 H new ATOM 0 HD2 PHE A 25 2.815 -6.420 1.184 1.00 0.00 H new ATOM 0 HE1 PHE A 25 3.464 -11.245 0.497 1.00 0.00 H new ATOM 0 HE2 PHE A 25 2.990 -7.923 3.121 1.00 0.00 H new ATOM 0 HZ PHE A 25 3.314 -10.341 2.776 1.00 0.00 H new ATOM 403 N LEU A 26 0.667 -5.015 -2.823 1.00 0.00 N ATOM 404 CA LEU A 26 0.430 -3.908 -3.729 1.00 0.00 C ATOM 405 C LEU A 26 1.086 -2.646 -3.198 1.00 0.00 C ATOM 406 O LEU A 26 1.120 -2.414 -1.990 1.00 0.00 O ATOM 407 CB LEU A 26 -1.074 -3.662 -3.928 1.00 0.00 C ATOM 408 CG LEU A 26 -1.870 -4.815 -4.555 1.00 0.00 C ATOM 409 CD1 LEU A 26 -2.197 -5.886 -3.522 1.00 0.00 C ATOM 410 CD2 LEU A 26 -3.144 -4.290 -5.195 1.00 0.00 C ATOM 0 H LEU A 26 0.233 -4.903 -1.907 1.00 0.00 H new ATOM 0 HA LEU A 26 0.867 -4.168 -4.693 1.00 0.00 H new ATOM 0 HB2 LEU A 26 -1.515 -3.428 -2.959 1.00 0.00 H new ATOM 0 HB3 LEU A 26 -1.197 -2.779 -4.555 1.00 0.00 H new ATOM 0 HG LEU A 26 -1.250 -5.272 -5.327 1.00 0.00 H new ATOM 0 HD11 LEU A 26 -2.761 -6.689 -3.996 1.00 0.00 H new ATOM 0 HD12 LEU A 26 -1.272 -6.288 -3.109 1.00 0.00 H new ATOM 0 HD13 LEU A 26 -2.793 -5.449 -2.721 1.00 0.00 H new ATOM 0 HD21 LEU A 26 -3.698 -5.119 -5.636 1.00 0.00 H new ATOM 0 HD22 LEU A 26 -3.759 -3.805 -4.437 1.00 0.00 H new ATOM 0 HD23 LEU A 26 -2.890 -3.569 -5.972 1.00 0.00 H new ATOM 422 N TYR A 27 1.591 -1.838 -4.105 1.00 0.00 N ATOM 423 CA TYR A 27 2.233 -0.587 -3.751 1.00 0.00 C ATOM 424 C TYR A 27 1.187 0.508 -3.802 1.00 0.00 C ATOM 425 O TYR A 27 0.706 0.862 -4.885 1.00 0.00 O ATOM 426 CB TYR A 27 3.361 -0.295 -4.740 1.00 0.00 C ATOM 427 CG TYR A 27 4.363 0.745 -4.290 1.00 0.00 C ATOM 428 CD1 TYR A 27 4.910 0.714 -3.014 1.00 0.00 C ATOM 429 CD2 TYR A 27 4.781 1.746 -5.158 1.00 0.00 C ATOM 430 CE1 TYR A 27 5.841 1.652 -2.614 1.00 0.00 C ATOM 431 CE2 TYR A 27 5.714 2.685 -4.768 1.00 0.00 C ATOM 432 CZ TYR A 27 6.242 2.634 -3.496 1.00 0.00 C ATOM 433 OH TYR A 27 7.170 3.573 -3.105 1.00 0.00 O ATOM 0 H TYR A 27 1.569 -2.028 -5.107 1.00 0.00 H new ATOM 0 HA TYR A 27 2.661 -0.642 -2.750 1.00 0.00 H new ATOM 0 HB2 TYR A 27 3.893 -1.224 -4.943 1.00 0.00 H new ATOM 0 HB3 TYR A 27 2.920 0.032 -5.682 1.00 0.00 H new ATOM 0 HD1 TYR A 27 4.602 -0.057 -2.323 1.00 0.00 H new ATOM 0 HD2 TYR A 27 4.369 1.790 -6.155 1.00 0.00 H new ATOM 0 HE1 TYR A 27 6.253 1.617 -1.616 1.00 0.00 H new ATOM 0 HE2 TYR A 27 6.029 3.456 -5.456 1.00 0.00 H new ATOM 0 HH TYR A 27 7.342 4.191 -3.846 1.00 0.00 H new ATOM 443 N CYS A 28 0.811 0.999 -2.637 1.00 0.00 N ATOM 444 CA CYS A 28 -0.224 2.021 -2.526 1.00 0.00 C ATOM 445 C CYS A 28 0.342 3.368 -2.104 1.00 0.00 C ATOM 446 O CYS A 28 1.262 3.442 -1.294 1.00 0.00 O ATOM 447 CB CYS A 28 -1.279 1.583 -1.514 1.00 0.00 C ATOM 448 SG CYS A 28 -1.675 -0.191 -1.579 1.00 0.00 S ATOM 0 H CYS A 28 1.208 0.707 -1.744 1.00 0.00 H new ATOM 0 HA CYS A 28 -0.670 2.137 -3.514 1.00 0.00 H new ATOM 0 HB2 CYS A 28 -0.931 1.831 -0.511 1.00 0.00 H new ATOM 0 HB3 CYS A 28 -2.191 2.155 -1.685 1.00 0.00 H new ATOM 453 N CYS A 29 -0.239 4.427 -2.645 1.00 0.00 N ATOM 454 CA CYS A 29 0.170 5.785 -2.321 1.00 0.00 C ATOM 455 C CYS A 29 -1.050 6.594 -1.901 1.00 0.00 C ATOM 456 O CYS A 29 -2.059 6.611 -2.609 1.00 0.00 O ATOM 457 CB CYS A 29 0.828 6.449 -3.530 1.00 0.00 C ATOM 458 SG CYS A 29 2.145 5.459 -4.304 1.00 0.00 S ATOM 0 H CYS A 29 -1.004 4.371 -3.318 1.00 0.00 H new ATOM 0 HA CYS A 29 0.891 5.749 -1.504 1.00 0.00 H new ATOM 0 HB2 CYS A 29 0.062 6.659 -4.276 1.00 0.00 H new ATOM 0 HB3 CYS A 29 1.244 7.408 -3.221 1.00 0.00 H new ATOM 463 N PRO A 30 -0.988 7.262 -0.745 1.00 0.00 N ATOM 464 CA PRO A 30 -2.101 8.070 -0.228 1.00 0.00 C ATOM 465 C PRO A 30 -2.499 9.186 -1.181 1.00 0.00 C ATOM 466 O PRO A 30 -1.657 9.753 -1.880 1.00 0.00 O ATOM 467 CB PRO A 30 -1.551 8.650 1.076 1.00 0.00 C ATOM 468 CG PRO A 30 -0.456 7.720 1.459 1.00 0.00 C ATOM 469 CD PRO A 30 0.165 7.286 0.166 1.00 0.00 C ATOM 0 HA PRO A 30 -3.005 7.475 -0.095 1.00 0.00 H new ATOM 0 HB2 PRO A 30 -1.180 9.665 0.934 1.00 0.00 H new ATOM 0 HB3 PRO A 30 -2.321 8.697 1.846 1.00 0.00 H new ATOM 0 HG2 PRO A 30 0.274 8.215 2.099 1.00 0.00 H new ATOM 0 HG3 PRO A 30 -0.842 6.866 2.016 1.00 0.00 H new ATOM 0 HD2 PRO A 30 0.934 7.982 -0.170 1.00 0.00 H new ATOM 0 HD3 PRO A 30 0.637 6.307 0.250 1.00 0.00 H new ATOM 477 N ARG A 31 -3.789 9.496 -1.206 1.00 0.00 N ATOM 478 CA ARG A 31 -4.303 10.551 -2.070 1.00 0.00 C ATOM 479 C ARG A 31 -3.785 11.907 -1.605 1.00 0.00 C ATOM 480 O ARG A 31 -3.532 12.802 -2.414 1.00 0.00 O ATOM 481 CB ARG A 31 -5.835 10.563 -2.078 1.00 0.00 C ATOM 482 CG ARG A 31 -6.464 9.346 -2.741 1.00 0.00 C ATOM 483 CD ARG A 31 -7.965 9.531 -2.920 1.00 0.00 C ATOM 484 NE ARG A 31 -8.676 9.632 -1.640 1.00 0.00 N ATOM 485 CZ ARG A 31 -9.028 8.583 -0.889 1.00 0.00 C ATOM 486 NH1 ARG A 31 -8.808 7.345 -1.324 1.00 0.00 N ATOM 487 NH2 ARG A 31 -9.620 8.776 0.287 1.00 0.00 N ATOM 0 H ARG A 31 -4.498 9.032 -0.638 1.00 0.00 H new ATOM 0 HA ARG A 31 -3.954 10.354 -3.084 1.00 0.00 H new ATOM 0 HB2 ARG A 31 -6.192 10.628 -1.050 1.00 0.00 H new ATOM 0 HB3 ARG A 31 -6.178 11.461 -2.592 1.00 0.00 H new ATOM 0 HG2 ARG A 31 -5.998 9.175 -3.711 1.00 0.00 H new ATOM 0 HG3 ARG A 31 -6.274 8.460 -2.136 1.00 0.00 H new ATOM 0 HD2 ARG A 31 -8.149 10.431 -3.506 1.00 0.00 H new ATOM 0 HD3 ARG A 31 -8.366 8.692 -3.489 1.00 0.00 H new ATOM 0 HE ARG A 31 -8.917 10.563 -1.301 1.00 0.00 H new ATOM 0 HH11 ARG A 31 -8.370 7.194 -2.233 1.00 0.00 H new ATOM 0 HH12 ARG A 31 -9.078 6.547 -0.749 1.00 0.00 H new ATOM 0 HH21 ARG A 31 -9.805 9.724 0.615 1.00 0.00 H new ATOM 0 HH22 ARG A 31 -9.889 7.976 0.860 1.00 0.00 H new ATOM 501 N ARG A 32 -3.632 12.038 -0.295 1.00 0.00 N ATOM 502 CA ARG A 32 -3.148 13.255 0.324 1.00 0.00 C ATOM 503 C ARG A 32 -2.824 12.962 1.781 1.00 0.00 C ATOM 504 O ARG A 32 -2.082 13.754 2.402 1.00 0.00 O ATOM 505 CB ARG A 32 -4.197 14.373 0.220 1.00 0.00 C ATOM 506 CG ARG A 32 -3.783 15.674 0.889 1.00 0.00 C ATOM 507 CD ARG A 32 -2.450 16.180 0.357 1.00 0.00 C ATOM 508 NE ARG A 32 -1.970 17.360 1.086 1.00 0.00 N ATOM 509 CZ ARG A 32 -1.538 17.340 2.354 1.00 0.00 C ATOM 510 NH1 ARG A 32 -1.476 16.199 3.034 1.00 0.00 N ATOM 511 NH2 ARG A 32 -1.151 18.471 2.939 1.00 0.00 N ATOM 512 OXT ARG A 32 -3.314 11.930 2.286 1.00 0.00 O ATOM 0 H ARG A 32 -3.843 11.294 0.370 1.00 0.00 H new ATOM 0 HA ARG A 32 -2.251 13.596 -0.193 1.00 0.00 H new ATOM 0 HB2 ARG A 32 -4.403 14.567 -0.833 1.00 0.00 H new ATOM 0 HB3 ARG A 32 -5.128 14.026 0.668 1.00 0.00 H new ATOM 0 HG2 ARG A 32 -4.551 16.429 0.723 1.00 0.00 H new ATOM 0 HG3 ARG A 32 -3.711 15.523 1.966 1.00 0.00 H new ATOM 0 HD2 ARG A 32 -1.708 15.385 0.428 1.00 0.00 H new ATOM 0 HD3 ARG A 32 -2.553 16.426 -0.700 1.00 0.00 H new ATOM 0 HE ARG A 32 -1.965 18.254 0.595 1.00 0.00 H new ATOM 0 HH11 ARG A 32 -1.759 15.325 2.591 1.00 0.00 H new ATOM 0 HH12 ARG A 32 -1.145 16.198 3.999 1.00 0.00 H new ATOM 0 HH21 ARG A 32 -1.184 19.350 2.422 1.00 0.00 H new ATOM 0 HH22 ARG A 32 -0.822 18.459 3.904 1.00 0.00 H new TER 526 ARG A 32