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+ -111:sc= 0.588 (180deg=-1.35!) USER MOD Single : A 5 TYR OH : rot 180:sc=-0.00724 USER MOD Single : A 8 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 10 HIS : no HD1:sc= -0.0636 X(o=-0.064,f=-0.53) USER MOD Single : A 12 LYS NZ :NH3+ -114:sc= 0.721 (180deg=-2.08!) USER MOD Single : A 20 THR OG1 : rot 180:sc= 0.00591 USER MOD Single : A 27 TYR OH : rot 180:sc= 0 USER MOD ----------------------------------------------------------------- ATOM 1 N GLY A 1 0.731 12.545 2.228 1.00 0.00 N ATOM 2 CA GLY A 1 2.137 12.676 1.773 1.00 0.00 C ATOM 3 C GLY A 1 2.410 11.800 0.573 1.00 0.00 C ATOM 4 O GLY A 1 1.827 10.723 0.452 1.00 0.00 O ATOM 0 H1 GLY A 1 0.220 13.430 2.036 1.00 0.00 H new ATOM 0 H2 GLY A 1 0.272 11.763 1.718 1.00 0.00 H new ATOM 0 H3 GLY A 1 0.713 12.349 3.249 1.00 0.00 H new ATOM 0 HA2 GLY A 1 2.344 13.716 1.521 1.00 0.00 H new ATOM 0 HA3 GLY A 1 2.811 12.404 2.585 1.00 0.00 H new ATOM 10 N LEU A 2 3.281 12.251 -0.321 1.00 0.00 N ATOM 11 CA LEU A 2 3.599 11.479 -1.510 1.00 0.00 C ATOM 12 C LEU A 2 4.681 10.445 -1.213 1.00 0.00 C ATOM 13 O LEU A 2 5.864 10.768 -1.122 1.00 0.00 O ATOM 14 CB LEU A 2 4.030 12.401 -2.657 1.00 0.00 C ATOM 15 CG LEU A 2 3.877 11.818 -4.072 1.00 0.00 C ATOM 16 CD1 LEU A 2 4.934 10.759 -4.359 1.00 0.00 C ATOM 17 CD2 LEU A 2 2.482 11.240 -4.262 1.00 0.00 C ATOM 0 H LEU A 2 3.775 13.140 -0.245 1.00 0.00 H new ATOM 0 HA LEU A 2 2.699 10.948 -1.819 1.00 0.00 H new ATOM 0 HB2 LEU A 2 3.448 13.321 -2.598 1.00 0.00 H new ATOM 0 HB3 LEU A 2 5.075 12.674 -2.507 1.00 0.00 H new ATOM 0 HG LEU A 2 4.021 12.632 -4.782 1.00 0.00 H new ATOM 0 HD11 LEU A 2 4.795 10.370 -5.368 1.00 0.00 H new ATOM 0 HD12 LEU A 2 5.926 11.203 -4.275 1.00 0.00 H new ATOM 0 HD13 LEU A 2 4.839 9.946 -3.640 1.00 0.00 H new ATOM 0 HD21 LEU A 2 2.391 10.832 -5.269 1.00 0.00 H new ATOM 0 HD22 LEU A 2 2.314 10.448 -3.533 1.00 0.00 H new ATOM 0 HD23 LEU A 2 1.740 12.026 -4.121 1.00 0.00 H new ATOM 29 N LEU A 3 4.239 9.207 -1.087 1.00 0.00 N ATOM 30 CA LEU A 3 5.099 8.056 -0.829 1.00 0.00 C ATOM 31 C LEU A 3 4.212 6.825 -0.730 1.00 0.00 C ATOM 32 O LEU A 3 3.203 6.842 -0.029 1.00 0.00 O ATOM 33 CB LEU A 3 5.951 8.217 0.449 1.00 0.00 C ATOM 34 CG LEU A 3 5.213 8.109 1.791 1.00 0.00 C ATOM 35 CD1 LEU A 3 6.202 7.831 2.910 1.00 0.00 C ATOM 36 CD2 LEU A 3 4.438 9.383 2.093 1.00 0.00 C ATOM 0 H LEU A 3 3.251 8.964 -1.162 1.00 0.00 H new ATOM 0 HA LEU A 3 5.810 7.961 -1.649 1.00 0.00 H new ATOM 0 HB2 LEU A 3 6.736 7.461 0.431 1.00 0.00 H new ATOM 0 HB3 LEU A 3 6.443 9.189 0.409 1.00 0.00 H new ATOM 0 HG LEU A 3 4.504 7.284 1.721 1.00 0.00 H new ATOM 0 HD11 LEU A 3 5.668 7.756 3.857 1.00 0.00 H new ATOM 0 HD12 LEU A 3 6.722 6.894 2.712 1.00 0.00 H new ATOM 0 HD13 LEU A 3 6.927 8.643 2.965 1.00 0.00 H new ATOM 0 HD21 LEU A 3 3.925 9.279 3.049 1.00 0.00 H new ATOM 0 HD22 LEU A 3 5.128 10.226 2.141 1.00 0.00 H new ATOM 0 HD23 LEU A 3 3.705 9.559 1.305 1.00 0.00 H new ATOM 48 N CYS A 4 4.545 5.778 -1.461 1.00 0.00 N ATOM 49 CA CYS A 4 3.724 4.584 -1.452 1.00 0.00 C ATOM 50 C CYS A 4 4.159 3.622 -0.360 1.00 0.00 C ATOM 51 O CYS A 4 5.308 3.627 0.083 1.00 0.00 O ATOM 52 CB CYS A 4 3.760 3.843 -2.789 1.00 0.00 C ATOM 53 SG CYS A 4 3.183 4.757 -4.267 1.00 0.00 S ATOM 0 H CYS A 4 5.368 5.730 -2.061 1.00 0.00 H new ATOM 0 HA CYS A 4 2.706 4.925 -1.264 1.00 0.00 H new ATOM 0 HB2 CYS A 4 4.786 3.521 -2.970 1.00 0.00 H new ATOM 0 HB3 CYS A 4 3.156 2.941 -2.692 1.00 0.00 H new ATOM 58 N TYR A 5 3.227 2.782 0.036 1.00 0.00 N ATOM 59 CA TYR A 5 3.460 1.767 1.050 1.00 0.00 C ATOM 60 C TYR A 5 2.997 0.416 0.523 1.00 0.00 C ATOM 61 O TYR A 5 1.942 0.325 -0.106 1.00 0.00 O ATOM 62 CB TYR A 5 2.690 2.059 2.344 1.00 0.00 C ATOM 63 CG TYR A 5 2.814 3.471 2.880 1.00 0.00 C ATOM 64 CD1 TYR A 5 2.062 4.510 2.346 1.00 0.00 C ATOM 65 CD2 TYR A 5 3.655 3.752 3.948 1.00 0.00 C ATOM 66 CE1 TYR A 5 2.153 5.790 2.853 1.00 0.00 C ATOM 67 CE2 TYR A 5 3.745 5.030 4.467 1.00 0.00 C ATOM 68 CZ TYR A 5 2.994 6.045 3.914 1.00 0.00 C ATOM 69 OH TYR A 5 3.078 7.317 4.431 1.00 0.00 O ATOM 0 H TYR A 5 2.278 2.781 -0.337 1.00 0.00 H new ATOM 0 HA TYR A 5 4.527 1.766 1.271 1.00 0.00 H new ATOM 0 HB2 TYR A 5 1.635 1.847 2.172 1.00 0.00 H new ATOM 0 HB3 TYR A 5 3.033 1.367 3.113 1.00 0.00 H new ATOM 0 HD1 TYR A 5 1.395 4.312 1.520 1.00 0.00 H new ATOM 0 HD2 TYR A 5 4.248 2.960 4.380 1.00 0.00 H new ATOM 0 HE1 TYR A 5 1.568 6.588 2.420 1.00 0.00 H new ATOM 0 HE2 TYR A 5 4.400 5.232 5.301 1.00 0.00 H new ATOM 0 HH TYR A 5 3.715 7.326 5.176 1.00 0.00 H new ATOM 79 N CYS A 6 3.767 -0.624 0.789 1.00 0.00 N ATOM 80 CA CYS A 6 3.399 -1.964 0.354 1.00 0.00 C ATOM 81 C CYS A 6 2.449 -2.596 1.350 1.00 0.00 C ATOM 82 O CYS A 6 2.741 -2.673 2.546 1.00 0.00 O ATOM 83 CB CYS A 6 4.619 -2.866 0.211 1.00 0.00 C ATOM 84 SG CYS A 6 5.691 -2.478 -1.206 1.00 0.00 S ATOM 0 H CYS A 6 4.647 -0.570 1.301 1.00 0.00 H new ATOM 0 HA CYS A 6 2.918 -1.864 -0.619 1.00 0.00 H new ATOM 0 HB2 CYS A 6 5.210 -2.802 1.124 1.00 0.00 H new ATOM 0 HB3 CYS A 6 4.282 -3.899 0.122 1.00 0.00 H new ATOM 89 N ARG A 7 1.323 -3.059 0.856 1.00 0.00 N ATOM 90 CA ARG A 7 0.332 -3.708 1.708 1.00 0.00 C ATOM 91 C ARG A 7 -0.204 -4.961 1.042 1.00 0.00 C ATOM 92 O ARG A 7 -0.358 -5.013 -0.174 1.00 0.00 O ATOM 93 CB ARG A 7 -0.813 -2.763 2.063 1.00 0.00 C ATOM 94 CG ARG A 7 -0.333 -1.449 2.648 1.00 0.00 C ATOM 95 CD ARG A 7 -1.389 -0.790 3.513 1.00 0.00 C ATOM 96 NE ARG A 7 -0.951 0.522 3.982 1.00 0.00 N ATOM 97 CZ ARG A 7 0.069 0.727 4.817 1.00 0.00 C ATOM 98 NH1 ARG A 7 0.684 -0.297 5.402 1.00 0.00 N ATOM 99 NH2 ARG A 7 0.461 1.968 5.073 1.00 0.00 N ATOM 0 H ARG A 7 1.064 -3.002 -0.129 1.00 0.00 H new ATOM 0 HA ARG A 7 0.830 -3.987 2.636 1.00 0.00 H new ATOM 0 HB2 ARG A 7 -1.403 -2.563 1.169 1.00 0.00 H new ATOM 0 HB3 ARG A 7 -1.474 -3.253 2.778 1.00 0.00 H new ATOM 0 HG2 ARG A 7 0.564 -1.623 3.242 1.00 0.00 H new ATOM 0 HG3 ARG A 7 -0.054 -0.773 1.840 1.00 0.00 H new ATOM 0 HD2 ARG A 7 -2.313 -0.685 2.945 1.00 0.00 H new ATOM 0 HD3 ARG A 7 -1.611 -1.428 4.368 1.00 0.00 H new ATOM 0 HE ARG A 7 -1.461 1.339 3.647 1.00 0.00 H new ATOM 0 HH11 ARG A 7 0.377 -1.251 5.214 1.00 0.00 H new ATOM 0 HH12 ARG A 7 1.463 -0.128 6.039 1.00 0.00 H new ATOM 0 HH21 ARG A 7 -0.016 2.755 4.633 1.00 0.00 H new ATOM 0 HH22 ARG A 7 1.240 2.136 5.710 1.00 0.00 H new ATOM 113 N LYS A 8 -0.456 -5.976 1.846 1.00 0.00 N ATOM 114 CA LYS A 8 -0.944 -7.248 1.343 1.00 0.00 C ATOM 115 C LYS A 8 -2.454 -7.247 1.129 1.00 0.00 C ATOM 116 O LYS A 8 -3.225 -6.857 2.011 1.00 0.00 O ATOM 117 CB LYS A 8 -0.547 -8.391 2.286 1.00 0.00 C ATOM 118 CG LYS A 8 -0.997 -8.194 3.728 1.00 0.00 C ATOM 119 CD LYS A 8 -0.688 -9.415 4.581 1.00 0.00 C ATOM 120 CE LYS A 8 0.805 -9.693 4.649 1.00 0.00 C ATOM 121 NZ LYS A 8 1.106 -10.921 5.436 1.00 0.00 N ATOM 0 H LYS A 8 -0.330 -5.945 2.858 1.00 0.00 H new ATOM 0 HA LYS A 8 -0.476 -7.404 0.371 1.00 0.00 H new ATOM 0 HB2 LYS A 8 -0.970 -9.322 1.909 1.00 0.00 H new ATOM 0 HB3 LYS A 8 0.537 -8.503 2.267 1.00 0.00 H new ATOM 0 HG2 LYS A 8 -0.500 -7.320 4.149 1.00 0.00 H new ATOM 0 HG3 LYS A 8 -2.068 -7.994 3.752 1.00 0.00 H new ATOM 0 HD2 LYS A 8 -1.076 -9.262 5.588 1.00 0.00 H new ATOM 0 HD3 LYS A 8 -1.201 -10.285 4.170 1.00 0.00 H new ATOM 0 HE2 LYS A 8 1.200 -9.803 3.639 1.00 0.00 H new ATOM 0 HE3 LYS A 8 1.313 -8.840 5.099 1.00 0.00 H new ATOM 0 HZ1 LYS A 8 2.134 -11.076 5.458 1.00 0.00 H new ATOM 0 HZ2 LYS A 8 0.752 -10.806 6.407 1.00 0.00 H new ATOM 0 HZ3 LYS A 8 0.642 -11.740 4.993 1.00 0.00 H new ATOM 135 N GLY A 9 -2.861 -7.711 -0.043 1.00 0.00 N ATOM 136 CA GLY A 9 -4.271 -7.799 -0.380 1.00 0.00 C ATOM 137 C GLY A 9 -4.910 -6.473 -0.735 1.00 0.00 C ATOM 138 O GLY A 9 -5.580 -6.362 -1.757 1.00 0.00 O ATOM 0 H GLY A 9 -2.231 -8.033 -0.778 1.00 0.00 H new ATOM 0 HA2 GLY A 9 -4.390 -8.483 -1.220 1.00 0.00 H new ATOM 0 HA3 GLY A 9 -4.808 -8.234 0.463 1.00 0.00 H new ATOM 142 N HIS A 10 -4.717 -5.475 0.109 1.00 0.00 N ATOM 143 CA HIS A 10 -5.297 -4.156 -0.121 1.00 0.00 C ATOM 144 C HIS A 10 -4.720 -3.133 0.838 1.00 0.00 C ATOM 145 O HIS A 10 -4.173 -3.480 1.883 1.00 0.00 O ATOM 146 CB HIS A 10 -6.823 -4.179 0.031 1.00 0.00 C ATOM 147 CG HIS A 10 -7.301 -4.560 1.404 1.00 0.00 C ATOM 148 ND1 HIS A 10 -7.058 -5.791 1.975 1.00 0.00 N ATOM 149 CD2 HIS A 10 -8.001 -3.854 2.324 1.00 0.00 C ATOM 150 CE1 HIS A 10 -7.587 -5.827 3.185 1.00 0.00 C ATOM 151 NE2 HIS A 10 -8.164 -4.664 3.421 1.00 0.00 N ATOM 0 H HIS A 10 -4.163 -5.549 0.962 1.00 0.00 H new ATOM 0 HA HIS A 10 -5.047 -3.875 -1.144 1.00 0.00 H new ATOM 0 HB2 HIS A 10 -7.216 -3.193 -0.218 1.00 0.00 H new ATOM 0 HB3 HIS A 10 -7.238 -4.880 -0.693 1.00 0.00 H new ATOM 0 HD2 HIS A 10 -8.363 -2.842 2.215 1.00 0.00 H new ATOM 0 HE1 HIS A 10 -7.553 -6.665 3.865 1.00 0.00 H new ATOM 0 HE2 HIS A 10 -8.652 -4.408 4.279 1.00 0.00 H new ATOM 160 N CYS A 11 -4.870 -1.879 0.469 1.00 0.00 N ATOM 161 CA CYS A 11 -4.388 -0.773 1.275 1.00 0.00 C ATOM 162 C CYS A 11 -5.537 -0.143 2.057 1.00 0.00 C ATOM 163 O CYS A 11 -6.667 -0.642 2.007 1.00 0.00 O ATOM 164 CB CYS A 11 -3.674 0.228 0.366 1.00 0.00 C ATOM 165 SG CYS A 11 -2.143 -0.477 -0.335 1.00 0.00 S ATOM 0 H CYS A 11 -5.329 -1.595 -0.397 1.00 0.00 H new ATOM 0 HA CYS A 11 -3.670 -1.127 2.015 1.00 0.00 H new ATOM 0 HB2 CYS A 11 -4.341 0.527 -0.442 1.00 0.00 H new ATOM 0 HB3 CYS A 11 -3.435 1.129 0.932 1.00 0.00 H new ATOM 170 N LYS A 12 -5.260 0.925 2.793 1.00 0.00 N ATOM 171 CA LYS A 12 -6.299 1.575 3.586 1.00 0.00 C ATOM 172 C LYS A 12 -7.179 2.444 2.694 1.00 0.00 C ATOM 173 O LYS A 12 -6.785 2.775 1.574 1.00 0.00 O ATOM 174 CB LYS A 12 -5.706 2.417 4.730 1.00 0.00 C ATOM 175 CG LYS A 12 -5.212 3.797 4.313 1.00 0.00 C ATOM 176 CD LYS A 12 -4.937 4.684 5.522 1.00 0.00 C ATOM 177 CE LYS A 12 -3.691 4.254 6.285 1.00 0.00 C ATOM 178 NZ LYS A 12 -2.442 4.748 5.642 1.00 0.00 N ATOM 0 H LYS A 12 -4.338 1.356 2.859 1.00 0.00 H new ATOM 0 HA LYS A 12 -6.907 0.790 4.036 1.00 0.00 H new ATOM 0 HB2 LYS A 12 -6.462 2.536 5.506 1.00 0.00 H new ATOM 0 HB3 LYS A 12 -4.876 1.868 5.175 1.00 0.00 H new ATOM 0 HG2 LYS A 12 -4.302 3.695 3.722 1.00 0.00 H new ATOM 0 HG3 LYS A 12 -5.956 4.273 3.674 1.00 0.00 H new ATOM 0 HD2 LYS A 12 -4.820 5.717 5.193 1.00 0.00 H new ATOM 0 HD3 LYS A 12 -5.797 4.658 6.191 1.00 0.00 H new ATOM 0 HE2 LYS A 12 -3.745 4.629 7.307 1.00 0.00 H new ATOM 0 HE3 LYS A 12 -3.661 3.166 6.346 1.00 0.00 H new ATOM 0 HZ1 LYS A 12 -1.892 3.940 5.286 1.00 0.00 H new ATOM 0 HZ2 LYS A 12 -2.685 5.377 4.850 1.00 0.00 H new ATOM 0 HZ3 LYS A 12 -1.876 5.272 6.340 1.00 0.00 H new ATOM 192 N ARG A 13 -8.361 2.815 3.204 1.00 0.00 N ATOM 193 CA ARG A 13 -9.312 3.662 2.467 1.00 0.00 C ATOM 194 C ARG A 13 -8.774 5.093 2.321 1.00 0.00 C ATOM 195 O ARG A 13 -9.427 6.077 2.673 1.00 0.00 O ATOM 196 CB ARG A 13 -10.692 3.674 3.152 1.00 0.00 C ATOM 197 CG ARG A 13 -10.685 4.124 4.610 1.00 0.00 C ATOM 198 CD ARG A 13 -10.400 2.972 5.565 1.00 0.00 C ATOM 199 NE ARG A 13 -11.446 1.944 5.527 1.00 0.00 N ATOM 200 CZ ARG A 13 -12.685 2.105 6.005 1.00 0.00 C ATOM 201 NH1 ARG A 13 -13.032 3.240 6.607 1.00 0.00 N ATOM 202 NH2 ARG A 13 -13.574 1.122 5.891 1.00 0.00 N ATOM 0 H ARG A 13 -8.684 2.540 4.131 1.00 0.00 H new ATOM 0 HA ARG A 13 -9.430 3.236 1.471 1.00 0.00 H new ATOM 0 HB2 ARG A 13 -11.355 4.330 2.588 1.00 0.00 H new ATOM 0 HB3 ARG A 13 -11.116 2.671 3.099 1.00 0.00 H new ATOM 0 HG2 ARG A 13 -9.932 4.901 4.745 1.00 0.00 H new ATOM 0 HG3 ARG A 13 -11.649 4.568 4.856 1.00 0.00 H new ATOM 0 HD2 ARG A 13 -9.441 2.521 5.310 1.00 0.00 H new ATOM 0 HD3 ARG A 13 -10.311 3.359 6.580 1.00 0.00 H new ATOM 0 HE ARG A 13 -11.212 1.044 5.107 1.00 0.00 H new ATOM 0 HH11 ARG A 13 -12.352 3.993 6.706 1.00 0.00 H new ATOM 0 HH12 ARG A 13 -13.978 3.356 6.969 1.00 0.00 H new ATOM 0 HH21 ARG A 13 -13.311 0.246 5.439 1.00 0.00 H new ATOM 0 HH22 ARG A 13 -14.519 1.244 6.255 1.00 0.00 H new ATOM 216 N GLY A 14 -7.575 5.177 1.791 1.00 0.00 N ATOM 217 CA GLY A 14 -6.902 6.433 1.580 1.00 0.00 C ATOM 218 C GLY A 14 -5.712 6.258 0.667 1.00 0.00 C ATOM 219 O GLY A 14 -5.355 7.166 -0.083 1.00 0.00 O ATOM 0 H GLY A 14 -7.036 4.364 1.492 1.00 0.00 H new ATOM 0 HA2 GLY A 14 -7.595 7.154 1.147 1.00 0.00 H new ATOM 0 HA3 GLY A 14 -6.575 6.841 2.537 1.00 0.00 H new ATOM 223 N GLU A 15 -5.106 5.075 0.717 1.00 0.00 N ATOM 224 CA GLU A 15 -3.965 4.769 -0.120 1.00 0.00 C ATOM 225 C GLU A 15 -4.441 4.217 -1.454 1.00 0.00 C ATOM 226 O GLU A 15 -5.216 3.264 -1.512 1.00 0.00 O ATOM 227 CB GLU A 15 -3.051 3.788 0.606 1.00 0.00 C ATOM 228 CG GLU A 15 -2.526 4.359 1.909 1.00 0.00 C ATOM 229 CD GLU A 15 -2.121 3.297 2.907 1.00 0.00 C ATOM 230 OE1 GLU A 15 -2.804 2.259 2.988 1.00 0.00 O ATOM 231 OE2 GLU A 15 -1.163 3.530 3.676 1.00 0.00 O ATOM 0 H GLU A 15 -5.392 4.314 1.333 1.00 0.00 H new ATOM 0 HA GLU A 15 -3.393 5.675 -0.321 1.00 0.00 H new ATOM 0 HB2 GLU A 15 -3.596 2.866 0.808 1.00 0.00 H new ATOM 0 HB3 GLU A 15 -2.212 3.528 -0.040 1.00 0.00 H new ATOM 0 HG2 GLU A 15 -1.667 4.996 1.699 1.00 0.00 H new ATOM 0 HG3 GLU A 15 -3.292 4.993 2.355 1.00 0.00 H new ATOM 238 N ARG A 16 -3.986 4.846 -2.515 1.00 0.00 N ATOM 239 CA ARG A 16 -4.360 4.462 -3.869 1.00 0.00 C ATOM 240 C ARG A 16 -3.280 3.575 -4.477 1.00 0.00 C ATOM 241 O ARG A 16 -2.094 3.890 -4.394 1.00 0.00 O ATOM 242 CB ARG A 16 -4.593 5.725 -4.722 1.00 0.00 C ATOM 243 CG ARG A 16 -3.555 5.964 -5.812 1.00 0.00 C ATOM 244 CD ARG A 16 -3.592 7.396 -6.321 1.00 0.00 C ATOM 245 NE ARG A 16 -3.068 8.346 -5.336 1.00 0.00 N ATOM 246 CZ ARG A 16 -3.019 9.667 -5.525 1.00 0.00 C ATOM 247 NH1 ARG A 16 -3.479 10.199 -6.652 1.00 0.00 N ATOM 248 NH2 ARG A 16 -2.509 10.454 -4.586 1.00 0.00 N ATOM 0 H ARG A 16 -3.346 5.639 -2.469 1.00 0.00 H new ATOM 0 HA ARG A 16 -5.288 3.891 -3.843 1.00 0.00 H new ATOM 0 HB2 ARG A 16 -5.577 5.656 -5.186 1.00 0.00 H new ATOM 0 HB3 ARG A 16 -4.612 6.593 -4.062 1.00 0.00 H new ATOM 0 HG2 ARG A 16 -2.561 5.742 -5.423 1.00 0.00 H new ATOM 0 HG3 ARG A 16 -3.733 5.279 -6.641 1.00 0.00 H new ATOM 0 HD2 ARG A 16 -3.009 7.469 -7.239 1.00 0.00 H new ATOM 0 HD3 ARG A 16 -4.618 7.664 -6.572 1.00 0.00 H new ATOM 0 HE ARG A 16 -2.719 7.976 -4.452 1.00 0.00 H new ATOM 0 HH11 ARG A 16 -3.871 9.598 -7.377 1.00 0.00 H new ATOM 0 HH12 ARG A 16 -3.440 11.209 -6.793 1.00 0.00 H new ATOM 0 HH21 ARG A 16 -2.154 10.050 -3.719 1.00 0.00 H new ATOM 0 HH22 ARG A 16 -2.472 11.463 -4.731 1.00 0.00 H new ATOM 262 N VAL A 17 -3.686 2.465 -5.066 1.00 0.00 N ATOM 263 CA VAL A 17 -2.737 1.540 -5.666 1.00 0.00 C ATOM 264 C VAL A 17 -2.010 2.191 -6.837 1.00 0.00 C ATOM 265 O VAL A 17 -2.633 2.652 -7.793 1.00 0.00 O ATOM 266 CB VAL A 17 -3.430 0.246 -6.150 1.00 0.00 C ATOM 267 CG1 VAL A 17 -2.407 -0.761 -6.659 1.00 0.00 C ATOM 268 CG2 VAL A 17 -4.273 -0.362 -5.038 1.00 0.00 C ATOM 0 H VAL A 17 -4.663 2.181 -5.143 1.00 0.00 H new ATOM 0 HA VAL A 17 -2.015 1.279 -4.892 1.00 0.00 H new ATOM 0 HB VAL A 17 -4.090 0.506 -6.977 1.00 0.00 H new ATOM 0 HG11 VAL A 17 -2.920 -1.663 -6.994 1.00 0.00 H new ATOM 0 HG12 VAL A 17 -1.853 -0.328 -7.492 1.00 0.00 H new ATOM 0 HG13 VAL A 17 -1.715 -1.014 -5.856 1.00 0.00 H new ATOM 0 HG21 VAL A 17 -4.752 -1.272 -5.400 1.00 0.00 H new ATOM 0 HG22 VAL A 17 -3.635 -0.602 -4.187 1.00 0.00 H new ATOM 0 HG23 VAL A 17 -5.037 0.352 -4.729 1.00 0.00 H new ATOM 278 N ARG A 18 -0.691 2.221 -6.747 1.00 0.00 N ATOM 279 CA ARG A 18 0.141 2.800 -7.787 1.00 0.00 C ATOM 280 C ARG A 18 0.816 1.691 -8.579 1.00 0.00 C ATOM 281 O ARG A 18 1.119 1.847 -9.761 1.00 0.00 O ATOM 282 CB ARG A 18 1.189 3.740 -7.184 1.00 0.00 C ATOM 283 CG ARG A 18 2.046 4.443 -8.228 1.00 0.00 C ATOM 284 CD ARG A 18 3.081 5.352 -7.584 1.00 0.00 C ATOM 285 NE ARG A 18 3.967 5.976 -8.571 1.00 0.00 N ATOM 286 CZ ARG A 18 4.873 5.314 -9.297 1.00 0.00 C ATOM 287 NH1 ARG A 18 5.038 4.003 -9.135 1.00 0.00 N ATOM 288 NH2 ARG A 18 5.620 5.967 -10.181 1.00 0.00 N ATOM 0 H ARG A 18 -0.169 1.846 -5.955 1.00 0.00 H new ATOM 0 HA ARG A 18 -0.490 3.384 -8.457 1.00 0.00 H new ATOM 0 HB2 ARG A 18 0.685 4.490 -6.574 1.00 0.00 H new ATOM 0 HB3 ARG A 18 1.837 3.170 -6.518 1.00 0.00 H new ATOM 0 HG2 ARG A 18 2.549 3.700 -8.847 1.00 0.00 H new ATOM 0 HG3 ARG A 18 1.407 5.029 -8.889 1.00 0.00 H new ATOM 0 HD2 ARG A 18 2.573 6.129 -7.013 1.00 0.00 H new ATOM 0 HD3 ARG A 18 3.678 4.775 -6.877 1.00 0.00 H new ATOM 0 HE ARG A 18 3.887 6.983 -8.713 1.00 0.00 H new ATOM 0 HH11 ARG A 18 4.471 3.498 -8.454 1.00 0.00 H new ATOM 0 HH12 ARG A 18 5.731 3.504 -9.692 1.00 0.00 H new ATOM 0 HH21 ARG A 18 5.502 6.973 -10.305 1.00 0.00 H new ATOM 0 HH22 ARG A 18 6.312 5.463 -10.736 1.00 0.00 H new ATOM 302 N GLY A 19 1.045 0.567 -7.916 1.00 0.00 N ATOM 303 CA GLY A 19 1.676 -0.557 -8.569 1.00 0.00 C ATOM 304 C GLY A 19 1.682 -1.792 -7.700 1.00 0.00 C ATOM 305 O GLY A 19 1.031 -1.831 -6.657 1.00 0.00 O ATOM 0 H GLY A 19 0.804 0.415 -6.937 1.00 0.00 H new ATOM 0 HA2 GLY A 19 1.154 -0.773 -9.501 1.00 0.00 H new ATOM 0 HA3 GLY A 19 2.701 -0.294 -8.831 1.00 0.00 H new ATOM 309 N THR A 20 2.417 -2.800 -8.129 1.00 0.00 N ATOM 310 CA THR A 20 2.519 -4.050 -7.396 1.00 0.00 C ATOM 311 C THR A 20 3.850 -4.141 -6.658 1.00 0.00 C ATOM 312 O THR A 20 4.881 -3.716 -7.175 1.00 0.00 O ATOM 313 CB THR A 20 2.382 -5.251 -8.345 1.00 0.00 C ATOM 314 OG1 THR A 20 3.208 -5.050 -9.501 1.00 0.00 O ATOM 315 CG2 THR A 20 0.936 -5.445 -8.776 1.00 0.00 C ATOM 0 H THR A 20 2.959 -2.777 -8.993 1.00 0.00 H new ATOM 0 HA THR A 20 1.707 -4.072 -6.670 1.00 0.00 H new ATOM 0 HB THR A 20 2.704 -6.146 -7.813 1.00 0.00 H new ATOM 0 HG1 THR A 20 3.120 -5.818 -10.103 1.00 0.00 H new ATOM 0 HG21 THR A 20 0.868 -6.301 -9.447 1.00 0.00 H new ATOM 0 HG22 THR A 20 0.315 -5.622 -7.898 1.00 0.00 H new ATOM 0 HG23 THR A 20 0.587 -4.551 -9.293 1.00 0.00 H new ATOM 323 N CYS A 21 3.823 -4.703 -5.460 1.00 0.00 N ATOM 324 CA CYS A 21 5.032 -4.858 -4.664 1.00 0.00 C ATOM 325 C CYS A 21 5.605 -6.249 -4.844 1.00 0.00 C ATOM 326 O CYS A 21 6.816 -6.442 -4.900 1.00 0.00 O ATOM 327 CB CYS A 21 4.739 -4.594 -3.190 1.00 0.00 C ATOM 328 SG CYS A 21 4.485 -2.838 -2.796 1.00 0.00 S ATOM 0 H CYS A 21 2.977 -5.060 -5.016 1.00 0.00 H new ATOM 0 HA CYS A 21 5.767 -4.130 -5.007 1.00 0.00 H new ATOM 0 HB2 CYS A 21 3.850 -5.154 -2.900 1.00 0.00 H new ATOM 0 HB3 CYS A 21 5.566 -4.975 -2.591 1.00 0.00 H new ATOM 333 N GLY A 22 4.714 -7.215 -4.936 1.00 0.00 N ATOM 334 CA GLY A 22 5.119 -8.586 -5.113 1.00 0.00 C ATOM 335 C GLY A 22 3.947 -9.522 -4.971 1.00 0.00 C ATOM 336 O GLY A 22 2.795 -9.106 -5.126 1.00 0.00 O ATOM 0 H GLY A 22 3.705 -7.071 -4.891 1.00 0.00 H new ATOM 0 HA2 GLY A 22 5.570 -8.711 -6.097 1.00 0.00 H new ATOM 0 HA3 GLY A 22 5.882 -8.840 -4.378 1.00 0.00 H new ATOM 340 N ILE A 23 4.232 -10.778 -4.666 1.00 0.00 N ATOM 341 CA ILE A 23 3.188 -11.774 -4.497 1.00 0.00 C ATOM 342 C ILE A 23 2.271 -11.399 -3.341 1.00 0.00 C ATOM 343 O ILE A 23 2.655 -11.507 -2.180 1.00 0.00 O ATOM 344 CB ILE A 23 3.780 -13.177 -4.246 1.00 0.00 C ATOM 345 CG1 ILE A 23 4.757 -13.549 -5.369 1.00 0.00 C ATOM 346 CG2 ILE A 23 2.668 -14.214 -4.141 1.00 0.00 C ATOM 347 CD1 ILE A 23 5.458 -14.872 -5.152 1.00 0.00 C ATOM 0 H ILE A 23 5.179 -11.131 -4.530 1.00 0.00 H new ATOM 0 HA ILE A 23 2.613 -11.800 -5.423 1.00 0.00 H new ATOM 0 HB ILE A 23 4.325 -13.161 -3.302 1.00 0.00 H new ATOM 0 HG12 ILE A 23 4.214 -13.586 -6.313 1.00 0.00 H new ATOM 0 HG13 ILE A 23 5.506 -12.762 -5.463 1.00 0.00 H new ATOM 0 HG21 ILE A 23 3.103 -15.198 -3.964 1.00 0.00 H new ATOM 0 HG22 ILE A 23 2.007 -13.956 -3.314 1.00 0.00 H new ATOM 0 HG23 ILE A 23 2.098 -14.231 -5.070 1.00 0.00 H new ATOM 0 HD11 ILE A 23 6.132 -15.068 -5.986 1.00 0.00 H new ATOM 0 HD12 ILE A 23 6.030 -14.833 -4.225 1.00 0.00 H new ATOM 0 HD13 ILE A 23 4.718 -15.670 -5.089 1.00 0.00 H new ATOM 359 N ARG A 24 1.060 -10.960 -3.688 1.00 0.00 N ATOM 360 CA ARG A 24 0.039 -10.559 -2.718 1.00 0.00 C ATOM 361 C ARG A 24 0.325 -9.203 -2.069 1.00 0.00 C ATOM 362 O ARG A 24 -0.271 -8.886 -1.042 1.00 0.00 O ATOM 363 CB ARG A 24 -0.133 -11.621 -1.620 1.00 0.00 C ATOM 364 CG ARG A 24 -0.929 -12.843 -2.054 1.00 0.00 C ATOM 365 CD ARG A 24 -2.356 -12.474 -2.439 1.00 0.00 C ATOM 366 NE ARG A 24 -3.173 -13.654 -2.747 1.00 0.00 N ATOM 367 CZ ARG A 24 -2.996 -14.442 -3.814 1.00 0.00 C ATOM 368 NH1 ARG A 24 -2.056 -14.161 -4.713 1.00 0.00 N ATOM 369 NH2 ARG A 24 -3.774 -15.507 -3.987 1.00 0.00 N ATOM 0 H ARG A 24 0.758 -10.872 -4.658 1.00 0.00 H new ATOM 0 HA ARG A 24 -0.885 -10.465 -3.288 1.00 0.00 H new ATOM 0 HB2 ARG A 24 0.853 -11.944 -1.285 1.00 0.00 H new ATOM 0 HB3 ARG A 24 -0.628 -11.164 -0.763 1.00 0.00 H new ATOM 0 HG2 ARG A 24 -0.434 -13.318 -2.901 1.00 0.00 H new ATOM 0 HG3 ARG A 24 -0.947 -13.573 -1.245 1.00 0.00 H new ATOM 0 HD2 ARG A 24 -2.818 -11.918 -1.623 1.00 0.00 H new ATOM 0 HD3 ARG A 24 -2.337 -11.812 -3.305 1.00 0.00 H new ATOM 0 HE ARG A 24 -3.928 -13.890 -2.103 1.00 0.00 H new ATOM 0 HH11 ARG A 24 -1.464 -13.340 -4.592 1.00 0.00 H new ATOM 0 HH12 ARG A 24 -1.928 -14.767 -5.523 1.00 0.00 H new ATOM 0 HH21 ARG A 24 -4.504 -15.721 -3.307 1.00 0.00 H new ATOM 0 HH22 ARG A 24 -3.641 -16.109 -4.800 1.00 0.00 H new ATOM 383 N PHE A 25 1.199 -8.385 -2.658 1.00 0.00 N ATOM 384 CA PHE A 25 1.476 -7.076 -2.081 1.00 0.00 C ATOM 385 C PHE A 25 1.308 -5.987 -3.119 1.00 0.00 C ATOM 386 O PHE A 25 1.812 -6.089 -4.240 1.00 0.00 O ATOM 387 CB PHE A 25 2.876 -7.008 -1.469 1.00 0.00 C ATOM 388 CG PHE A 25 3.041 -7.866 -0.245 1.00 0.00 C ATOM 389 CD1 PHE A 25 3.190 -9.236 -0.357 1.00 0.00 C ATOM 390 CD2 PHE A 25 3.043 -7.297 1.018 1.00 0.00 C ATOM 391 CE1 PHE A 25 3.334 -10.026 0.763 1.00 0.00 C ATOM 392 CE2 PHE A 25 3.185 -8.083 2.145 1.00 0.00 C ATOM 393 CZ PHE A 25 3.330 -9.452 2.017 1.00 0.00 C ATOM 0 H PHE A 25 1.714 -8.601 -3.512 1.00 0.00 H new ATOM 0 HA PHE A 25 0.754 -6.918 -1.280 1.00 0.00 H new ATOM 0 HB2 PHE A 25 3.606 -7.314 -2.218 1.00 0.00 H new ATOM 0 HB3 PHE A 25 3.100 -5.973 -1.210 1.00 0.00 H new ATOM 0 HD1 PHE A 25 3.194 -9.693 -1.335 1.00 0.00 H new ATOM 0 HD2 PHE A 25 2.932 -6.228 1.123 1.00 0.00 H new ATOM 0 HE1 PHE A 25 3.450 -11.095 0.659 1.00 0.00 H new ATOM 0 HE2 PHE A 25 3.183 -7.629 3.125 1.00 0.00 H new ATOM 0 HZ PHE A 25 3.440 -10.070 2.896 1.00 0.00 H new ATOM 403 N LEU A 26 0.591 -4.952 -2.733 1.00 0.00 N ATOM 404 CA LEU A 26 0.324 -3.818 -3.598 1.00 0.00 C ATOM 405 C LEU A 26 1.016 -2.576 -3.061 1.00 0.00 C ATOM 406 O LEU A 26 1.077 -2.357 -1.852 1.00 0.00 O ATOM 407 CB LEU A 26 -1.184 -3.546 -3.720 1.00 0.00 C ATOM 408 CG LEU A 26 -2.029 -4.644 -4.388 1.00 0.00 C ATOM 409 CD1 LEU A 26 -1.394 -5.097 -5.692 1.00 0.00 C ATOM 410 CD2 LEU A 26 -2.246 -5.824 -3.449 1.00 0.00 C ATOM 0 H LEU A 26 0.174 -4.872 -1.806 1.00 0.00 H new ATOM 0 HA LEU A 26 0.712 -4.060 -4.587 1.00 0.00 H new ATOM 0 HB2 LEU A 26 -1.581 -3.371 -2.720 1.00 0.00 H new ATOM 0 HB3 LEU A 26 -1.319 -2.622 -4.282 1.00 0.00 H new ATOM 0 HG LEU A 26 -3.006 -4.219 -4.616 1.00 0.00 H new ATOM 0 HD11 LEU A 26 -2.010 -5.874 -6.146 1.00 0.00 H new ATOM 0 HD12 LEU A 26 -1.318 -4.250 -6.373 1.00 0.00 H new ATOM 0 HD13 LEU A 26 -0.398 -5.493 -5.493 1.00 0.00 H new ATOM 0 HD21 LEU A 26 -2.847 -6.583 -3.951 1.00 0.00 H new ATOM 0 HD22 LEU A 26 -1.282 -6.250 -3.171 1.00 0.00 H new ATOM 0 HD23 LEU A 26 -2.765 -5.485 -2.552 1.00 0.00 H new ATOM 422 N TYR A 27 1.531 -1.777 -3.970 1.00 0.00 N ATOM 423 CA TYR A 27 2.219 -0.543 -3.627 1.00 0.00 C ATOM 424 C TYR A 27 1.252 0.614 -3.806 1.00 0.00 C ATOM 425 O TYR A 27 0.925 0.988 -4.937 1.00 0.00 O ATOM 426 CB TYR A 27 3.421 -0.378 -4.555 1.00 0.00 C ATOM 427 CG TYR A 27 4.530 0.521 -4.049 1.00 0.00 C ATOM 428 CD1 TYR A 27 4.947 0.476 -2.725 1.00 0.00 C ATOM 429 CD2 TYR A 27 5.181 1.391 -4.913 1.00 0.00 C ATOM 430 CE1 TYR A 27 5.981 1.278 -2.276 1.00 0.00 C ATOM 431 CE2 TYR A 27 6.212 2.198 -4.471 1.00 0.00 C ATOM 432 CZ TYR A 27 6.609 2.136 -3.152 1.00 0.00 C ATOM 433 OH TYR A 27 7.635 2.938 -2.709 1.00 0.00 O ATOM 0 H TYR A 27 1.486 -1.962 -4.972 1.00 0.00 H new ATOM 0 HA TYR A 27 2.566 -0.566 -2.594 1.00 0.00 H new ATOM 0 HB2 TYR A 27 3.841 -1.364 -4.752 1.00 0.00 H new ATOM 0 HB3 TYR A 27 3.068 0.015 -5.508 1.00 0.00 H new ATOM 0 HD1 TYR A 27 4.457 -0.195 -2.036 1.00 0.00 H new ATOM 0 HD2 TYR A 27 4.877 1.438 -5.948 1.00 0.00 H new ATOM 0 HE1 TYR A 27 6.294 1.232 -1.244 1.00 0.00 H new ATOM 0 HE2 TYR A 27 6.704 2.874 -5.155 1.00 0.00 H new ATOM 0 HH TYR A 27 7.969 3.482 -3.452 1.00 0.00 H new ATOM 443 N CYS A 28 0.763 1.150 -2.704 1.00 0.00 N ATOM 444 CA CYS A 28 -0.213 2.240 -2.768 1.00 0.00 C ATOM 445 C CYS A 28 0.308 3.555 -2.212 1.00 0.00 C ATOM 446 O CYS A 28 0.935 3.597 -1.160 1.00 0.00 O ATOM 447 CB CYS A 28 -1.475 1.890 -1.992 1.00 0.00 C ATOM 448 SG CYS A 28 -2.088 0.205 -2.238 1.00 0.00 S ATOM 0 H CYS A 28 1.017 0.858 -1.760 1.00 0.00 H new ATOM 0 HA CYS A 28 -0.421 2.366 -3.830 1.00 0.00 H new ATOM 0 HB2 CYS A 28 -1.282 2.038 -0.929 1.00 0.00 H new ATOM 0 HB3 CYS A 28 -2.261 2.590 -2.273 1.00 0.00 H new ATOM 453 N CYS A 29 -0.031 4.631 -2.902 1.00 0.00 N ATOM 454 CA CYS A 29 0.316 5.978 -2.475 1.00 0.00 C ATOM 455 C CYS A 29 -0.950 6.704 -2.034 1.00 0.00 C ATOM 456 O CYS A 29 -1.946 6.715 -2.766 1.00 0.00 O ATOM 457 CB CYS A 29 0.986 6.770 -3.600 1.00 0.00 C ATOM 458 SG CYS A 29 2.803 6.650 -3.651 1.00 0.00 S ATOM 0 H CYS A 29 -0.556 4.596 -3.776 1.00 0.00 H new ATOM 0 HA CYS A 29 1.022 5.902 -1.648 1.00 0.00 H new ATOM 0 HB2 CYS A 29 0.587 6.425 -4.554 1.00 0.00 H new ATOM 0 HB3 CYS A 29 0.709 7.819 -3.500 1.00 0.00 H new ATOM 463 N PRO A 30 -0.934 7.312 -0.841 1.00 0.00 N ATOM 464 CA PRO A 30 -2.084 8.045 -0.296 1.00 0.00 C ATOM 465 C PRO A 30 -2.627 9.086 -1.270 1.00 0.00 C ATOM 466 O PRO A 30 -1.886 9.618 -2.101 1.00 0.00 O ATOM 467 CB PRO A 30 -1.515 8.724 0.952 1.00 0.00 C ATOM 468 CG PRO A 30 -0.367 7.871 1.356 1.00 0.00 C ATOM 469 CD PRO A 30 0.215 7.329 0.081 1.00 0.00 C ATOM 0 HA PRO A 30 -2.926 7.384 -0.091 1.00 0.00 H new ATOM 0 HB2 PRO A 30 -1.194 9.743 0.737 1.00 0.00 H new ATOM 0 HB3 PRO A 30 -2.261 8.785 1.744 1.00 0.00 H new ATOM 0 HG2 PRO A 30 0.374 8.450 1.908 1.00 0.00 H new ATOM 0 HG3 PRO A 30 -0.693 7.063 2.011 1.00 0.00 H new ATOM 0 HD2 PRO A 30 1.021 7.961 -0.293 1.00 0.00 H new ATOM 0 HD3 PRO A 30 0.631 6.332 0.222 1.00 0.00 H new ATOM 477 N ARG A 31 -3.925 9.359 -1.175 1.00 0.00 N ATOM 478 CA ARG A 31 -4.579 10.328 -2.052 1.00 0.00 C ATOM 479 C ARG A 31 -3.943 11.712 -1.926 1.00 0.00 C ATOM 480 O ARG A 31 -3.906 12.475 -2.892 1.00 0.00 O ATOM 481 CB ARG A 31 -6.081 10.417 -1.761 1.00 0.00 C ATOM 482 CG ARG A 31 -6.882 9.240 -2.297 1.00 0.00 C ATOM 483 CD ARG A 31 -8.381 9.513 -2.242 1.00 0.00 C ATOM 484 NE ARG A 31 -8.902 9.521 -0.872 1.00 0.00 N ATOM 485 CZ ARG A 31 -9.150 8.420 -0.159 1.00 0.00 C ATOM 486 NH1 ARG A 31 -8.997 7.217 -0.707 1.00 0.00 N ATOM 487 NH2 ARG A 31 -9.574 8.520 1.100 1.00 0.00 N ATOM 0 H ARG A 31 -4.548 8.921 -0.497 1.00 0.00 H new ATOM 0 HA ARG A 31 -4.443 9.976 -3.074 1.00 0.00 H new ATOM 0 HB2 ARG A 31 -6.229 10.484 -0.683 1.00 0.00 H new ATOM 0 HB3 ARG A 31 -6.472 11.338 -2.195 1.00 0.00 H new ATOM 0 HG2 ARG A 31 -6.586 9.035 -3.326 1.00 0.00 H new ATOM 0 HG3 ARG A 31 -6.652 8.347 -1.716 1.00 0.00 H new ATOM 0 HD2 ARG A 31 -8.589 10.474 -2.712 1.00 0.00 H new ATOM 0 HD3 ARG A 31 -8.906 8.754 -2.822 1.00 0.00 H new ATOM 0 HE ARG A 31 -9.087 10.424 -0.436 1.00 0.00 H new ATOM 0 HH11 ARG A 31 -8.689 7.133 -1.676 1.00 0.00 H new ATOM 0 HH12 ARG A 31 -9.188 6.379 -0.158 1.00 0.00 H new ATOM 0 HH21 ARG A 31 -9.710 9.439 1.521 1.00 0.00 H new ATOM 0 HH22 ARG A 31 -9.763 7.677 1.643 1.00 0.00 H new ATOM 501 N ARG A 32 -3.433 12.018 -0.741 1.00 0.00 N ATOM 502 CA ARG A 32 -2.788 13.294 -0.486 1.00 0.00 C ATOM 503 C ARG A 32 -1.807 13.130 0.665 1.00 0.00 C ATOM 504 O ARG A 32 -0.947 14.013 0.864 1.00 0.00 O ATOM 505 CB ARG A 32 -3.833 14.362 -0.143 1.00 0.00 C ATOM 506 CG ARG A 32 -3.269 15.772 -0.073 1.00 0.00 C ATOM 507 CD ARG A 32 -4.294 16.754 0.466 1.00 0.00 C ATOM 508 NE ARG A 32 -4.687 16.433 1.841 1.00 0.00 N ATOM 509 CZ ARG A 32 -5.588 17.119 2.543 1.00 0.00 C ATOM 510 NH1 ARG A 32 -6.202 18.166 1.999 1.00 0.00 N ATOM 511 NH2 ARG A 32 -5.876 16.757 3.790 1.00 0.00 N ATOM 512 OXT ARG A 32 -1.892 12.099 1.364 1.00 0.00 O ATOM 0 H ARG A 32 -3.455 11.392 0.064 1.00 0.00 H new ATOM 0 HA ARG A 32 -2.254 13.616 -1.380 1.00 0.00 H new ATOM 0 HB2 ARG A 32 -4.626 14.335 -0.891 1.00 0.00 H new ATOM 0 HB3 ARG A 32 -4.290 14.115 0.815 1.00 0.00 H new ATOM 0 HG2 ARG A 32 -2.385 15.780 0.565 1.00 0.00 H new ATOM 0 HG3 ARG A 32 -2.949 16.087 -1.066 1.00 0.00 H new ATOM 0 HD2 ARG A 32 -3.883 17.763 0.432 1.00 0.00 H new ATOM 0 HD3 ARG A 32 -5.176 16.747 -0.175 1.00 0.00 H new ATOM 0 HE ARG A 32 -4.242 15.632 2.290 1.00 0.00 H new ATOM 0 HH11 ARG A 32 -5.983 18.445 1.043 1.00 0.00 H new ATOM 0 HH12 ARG A 32 -6.891 18.690 2.538 1.00 0.00 H new ATOM 0 HH21 ARG A 32 -5.407 15.954 4.209 1.00 0.00 H new ATOM 0 HH22 ARG A 32 -6.566 17.282 4.327 1.00 0.00 H new TER 526 ARG A 32