USER MOD reduce.3.24.130724 H: found=0, std=0, add=266, rem=0, adj=6 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+ -136:sc= 0.556 (180deg=-2.69!) USER MOD Single : A 5 TYR OH : rot 180:sc= 0 USER MOD Single : A 8 LYS NZ :NH3+ -168:sc= 0 (180deg=-0.142) USER MOD Single : A 10 HIS : no HD1:sc= -0.38 X(o=-0.38,f=-0.0087) USER MOD Single : A 12 LYS NZ :NH3+ 175:sc= 0 (180deg=-0.0185) USER MOD Single : A 20 THR OG1 : rot 180:sc= 0.00295 USER MOD Single : A 27 TYR OH : rot 180:sc= 0 USER MOD ----------------------------------------------------------------- ATOM 1 N GLY A 1 0.522 11.274 -1.087 1.00 0.00 N ATOM 2 CA GLY A 1 1.400 12.293 -1.701 1.00 0.00 C ATOM 3 C GLY A 1 2.737 11.705 -2.095 1.00 0.00 C ATOM 4 O GLY A 1 2.791 10.645 -2.718 1.00 0.00 O ATOM 0 H1 GLY A 1 -0.439 11.364 -1.475 1.00 0.00 H new ATOM 0 H2 GLY A 1 0.892 10.325 -1.297 1.00 0.00 H new ATOM 0 H3 GLY A 1 0.494 11.415 -0.057 1.00 0.00 H new ATOM 0 HA2 GLY A 1 0.912 12.713 -2.581 1.00 0.00 H new ATOM 0 HA3 GLY A 1 1.554 13.113 -1.000 1.00 0.00 H new ATOM 10 N LEU A 2 3.816 12.382 -1.722 1.00 0.00 N ATOM 11 CA LEU A 2 5.169 11.921 -2.026 1.00 0.00 C ATOM 12 C LEU A 2 5.602 10.809 -1.064 1.00 0.00 C ATOM 13 O LEU A 2 6.648 10.896 -0.423 1.00 0.00 O ATOM 14 CB LEU A 2 6.171 13.090 -1.987 1.00 0.00 C ATOM 15 CG LEU A 2 6.289 13.849 -0.657 1.00 0.00 C ATOM 16 CD1 LEU A 2 7.617 14.584 -0.587 1.00 0.00 C ATOM 17 CD2 LEU A 2 5.144 14.839 -0.486 1.00 0.00 C ATOM 0 H LEU A 2 3.781 13.260 -1.204 1.00 0.00 H new ATOM 0 HA LEU A 2 5.161 11.512 -3.036 1.00 0.00 H new ATOM 0 HB2 LEU A 2 7.156 12.703 -2.247 1.00 0.00 H new ATOM 0 HB3 LEU A 2 5.893 13.803 -2.763 1.00 0.00 H new ATOM 0 HG LEU A 2 6.237 13.119 0.151 1.00 0.00 H new ATOM 0 HD11 LEU A 2 7.688 15.118 0.361 1.00 0.00 H new ATOM 0 HD12 LEU A 2 8.434 13.867 -0.661 1.00 0.00 H new ATOM 0 HD13 LEU A 2 7.683 15.296 -1.410 1.00 0.00 H new ATOM 0 HD21 LEU A 2 5.254 15.362 0.464 1.00 0.00 H new ATOM 0 HD22 LEU A 2 5.163 15.562 -1.302 1.00 0.00 H new ATOM 0 HD23 LEU A 2 4.195 14.303 -0.498 1.00 0.00 H new ATOM 29 N LEU A 3 4.788 9.766 -0.976 1.00 0.00 N ATOM 30 CA LEU A 3 5.063 8.634 -0.114 1.00 0.00 C ATOM 31 C LEU A 3 4.119 7.493 -0.465 1.00 0.00 C ATOM 32 O LEU A 3 2.930 7.708 -0.705 1.00 0.00 O ATOM 33 CB LEU A 3 4.917 9.000 1.377 1.00 0.00 C ATOM 34 CG LEU A 3 3.492 9.294 1.874 1.00 0.00 C ATOM 35 CD1 LEU A 3 3.436 9.204 3.391 1.00 0.00 C ATOM 36 CD2 LEU A 3 3.024 10.670 1.422 1.00 0.00 C ATOM 0 H LEU A 3 3.918 9.685 -1.503 1.00 0.00 H new ATOM 0 HA LEU A 3 6.096 8.327 -0.275 1.00 0.00 H new ATOM 0 HB2 LEU A 3 5.323 8.181 1.971 1.00 0.00 H new ATOM 0 HB3 LEU A 3 5.535 9.875 1.576 1.00 0.00 H new ATOM 0 HG LEU A 3 2.826 8.547 1.443 1.00 0.00 H new ATOM 0 HD11 LEU A 3 2.422 9.414 3.731 1.00 0.00 H new ATOM 0 HD12 LEU A 3 3.724 8.201 3.707 1.00 0.00 H new ATOM 0 HD13 LEU A 3 4.122 9.932 3.824 1.00 0.00 H new ATOM 0 HD21 LEU A 3 2.013 10.849 1.789 1.00 0.00 H new ATOM 0 HD22 LEU A 3 3.695 11.431 1.820 1.00 0.00 H new ATOM 0 HD23 LEU A 3 3.028 10.716 0.333 1.00 0.00 H new ATOM 48 N CYS A 4 4.660 6.292 -0.508 1.00 0.00 N ATOM 49 CA CYS A 4 3.886 5.103 -0.833 1.00 0.00 C ATOM 50 C CYS A 4 4.337 3.945 0.046 1.00 0.00 C ATOM 51 O CYS A 4 5.452 3.957 0.570 1.00 0.00 O ATOM 52 CB CYS A 4 4.049 4.732 -2.306 1.00 0.00 C ATOM 53 SG CYS A 4 3.833 6.119 -3.473 1.00 0.00 S ATOM 0 H CYS A 4 5.646 6.109 -0.320 1.00 0.00 H new ATOM 0 HA CYS A 4 2.832 5.313 -0.649 1.00 0.00 H new ATOM 0 HB2 CYS A 4 5.041 4.305 -2.451 1.00 0.00 H new ATOM 0 HB3 CYS A 4 3.327 3.953 -2.552 1.00 0.00 H new ATOM 58 N TYR A 5 3.468 2.961 0.224 1.00 0.00 N ATOM 59 CA TYR A 5 3.775 1.807 1.063 1.00 0.00 C ATOM 60 C TYR A 5 3.214 0.520 0.471 1.00 0.00 C ATOM 61 O TYR A 5 2.130 0.512 -0.113 1.00 0.00 O ATOM 62 CB TYR A 5 3.184 1.984 2.469 1.00 0.00 C ATOM 63 CG TYR A 5 3.718 3.171 3.243 1.00 0.00 C ATOM 64 CD1 TYR A 5 3.169 4.438 3.082 1.00 0.00 C ATOM 65 CD2 TYR A 5 4.761 3.019 4.148 1.00 0.00 C ATOM 66 CE1 TYR A 5 3.649 5.519 3.795 1.00 0.00 C ATOM 67 CE2 TYR A 5 5.245 4.096 4.865 1.00 0.00 C ATOM 68 CZ TYR A 5 4.686 5.343 4.684 1.00 0.00 C ATOM 69 OH TYR A 5 5.163 6.417 5.398 1.00 0.00 O ATOM 0 H TYR A 5 2.541 2.937 -0.202 1.00 0.00 H new ATOM 0 HA TYR A 5 4.861 1.738 1.117 1.00 0.00 H new ATOM 0 HB2 TYR A 5 2.102 2.083 2.382 1.00 0.00 H new ATOM 0 HB3 TYR A 5 3.376 1.078 3.044 1.00 0.00 H new ATOM 0 HD1 TYR A 5 2.354 4.579 2.388 1.00 0.00 H new ATOM 0 HD2 TYR A 5 5.200 2.043 4.293 1.00 0.00 H new ATOM 0 HE1 TYR A 5 3.213 6.497 3.656 1.00 0.00 H new ATOM 0 HE2 TYR A 5 6.057 3.962 5.564 1.00 0.00 H new ATOM 0 HH TYR A 5 5.894 6.123 5.981 1.00 0.00 H new ATOM 79 N CYS A 6 3.945 -0.568 0.665 1.00 0.00 N ATOM 80 CA CYS A 6 3.513 -1.880 0.203 1.00 0.00 C ATOM 81 C CYS A 6 2.585 -2.489 1.233 1.00 0.00 C ATOM 82 O CYS A 6 2.887 -2.488 2.428 1.00 0.00 O ATOM 83 CB CYS A 6 4.695 -2.826 -0.002 1.00 0.00 C ATOM 84 SG CYS A 6 5.742 -2.449 -1.440 1.00 0.00 S ATOM 0 H CYS A 6 4.846 -0.568 1.143 1.00 0.00 H new ATOM 0 HA CYS A 6 3.006 -1.746 -0.753 1.00 0.00 H new ATOM 0 HB2 CYS A 6 5.315 -2.808 0.894 1.00 0.00 H new ATOM 0 HB3 CYS A 6 4.314 -3.842 -0.106 1.00 0.00 H new ATOM 89 N ARG A 7 1.467 -3.012 0.781 1.00 0.00 N ATOM 90 CA ARG A 7 0.511 -3.627 1.688 1.00 0.00 C ATOM 91 C ARG A 7 -0.005 -4.932 1.120 1.00 0.00 C ATOM 92 O ARG A 7 -0.178 -5.081 -0.089 1.00 0.00 O ATOM 93 CB ARG A 7 -0.646 -2.685 2.001 1.00 0.00 C ATOM 94 CG ARG A 7 -0.181 -1.338 2.520 1.00 0.00 C ATOM 95 CD ARG A 7 -1.304 -0.554 3.166 1.00 0.00 C ATOM 96 NE ARG A 7 -0.873 0.791 3.534 1.00 0.00 N ATOM 97 CZ ARG A 7 -0.009 1.085 4.501 1.00 0.00 C ATOM 98 NH1 ARG A 7 0.489 0.131 5.284 1.00 0.00 N ATOM 99 NH2 ARG A 7 0.345 2.348 4.688 1.00 0.00 N ATOM 0 H ARG A 7 1.194 -3.026 -0.202 1.00 0.00 H new ATOM 0 HA ARG A 7 1.032 -3.837 2.622 1.00 0.00 H new ATOM 0 HB2 ARG A 7 -1.242 -2.537 1.100 1.00 0.00 H new ATOM 0 HB3 ARG A 7 -1.297 -3.150 2.741 1.00 0.00 H new ATOM 0 HG2 ARG A 7 0.619 -1.487 3.245 1.00 0.00 H new ATOM 0 HG3 ARG A 7 0.238 -0.759 1.697 1.00 0.00 H new ATOM 0 HD2 ARG A 7 -2.148 -0.492 2.479 1.00 0.00 H new ATOM 0 HD3 ARG A 7 -1.654 -1.081 4.054 1.00 0.00 H new ATOM 0 HE ARG A 7 -1.267 1.570 3.006 1.00 0.00 H new ATOM 0 HH11 ARG A 7 0.209 -0.840 5.146 1.00 0.00 H new ATOM 0 HH12 ARG A 7 1.151 0.371 6.022 1.00 0.00 H new ATOM 0 HH21 ARG A 7 -0.044 3.080 4.094 1.00 0.00 H new ATOM 0 HH22 ARG A 7 1.007 2.588 5.426 1.00 0.00 H new ATOM 113 N LYS A 8 -0.216 -5.882 2.008 1.00 0.00 N ATOM 114 CA LYS A 8 -0.682 -7.201 1.632 1.00 0.00 C ATOM 115 C LYS A 8 -2.196 -7.242 1.468 1.00 0.00 C ATOM 116 O LYS A 8 -2.948 -6.884 2.375 1.00 0.00 O ATOM 117 CB LYS A 8 -0.233 -8.219 2.684 1.00 0.00 C ATOM 118 CG LYS A 8 -0.640 -9.653 2.388 1.00 0.00 C ATOM 119 CD LYS A 8 -0.022 -10.616 3.389 1.00 0.00 C ATOM 120 CE LYS A 8 -0.494 -12.043 3.165 1.00 0.00 C ATOM 121 NZ LYS A 8 -1.946 -12.200 3.461 1.00 0.00 N ATOM 0 H LYS A 8 -0.069 -5.762 3.010 1.00 0.00 H new ATOM 0 HA LYS A 8 -0.246 -7.453 0.666 1.00 0.00 H new ATOM 0 HB2 LYS A 8 0.852 -8.174 2.775 1.00 0.00 H new ATOM 0 HB3 LYS A 8 -0.646 -7.930 3.650 1.00 0.00 H new ATOM 0 HG2 LYS A 8 -1.726 -9.740 2.419 1.00 0.00 H new ATOM 0 HG3 LYS A 8 -0.327 -9.922 1.379 1.00 0.00 H new ATOM 0 HD2 LYS A 8 1.064 -10.576 3.309 1.00 0.00 H new ATOM 0 HD3 LYS A 8 -0.279 -10.303 4.401 1.00 0.00 H new ATOM 0 HE2 LYS A 8 -0.301 -12.332 2.132 1.00 0.00 H new ATOM 0 HE3 LYS A 8 0.081 -12.719 3.798 1.00 0.00 H new ATOM 0 HZ1 LYS A 8 -2.186 -13.211 3.495 1.00 0.00 H new ATOM 0 HZ2 LYS A 8 -2.163 -11.762 4.379 1.00 0.00 H new ATOM 0 HZ3 LYS A 8 -2.504 -11.737 2.716 1.00 0.00 H new ATOM 135 N GLY A 9 -2.632 -7.715 0.313 1.00 0.00 N ATOM 136 CA GLY A 9 -4.048 -7.845 0.039 1.00 0.00 C ATOM 137 C GLY A 9 -4.693 -6.612 -0.559 1.00 0.00 C ATOM 138 O GLY A 9 -5.339 -6.702 -1.602 1.00 0.00 O ATOM 0 H GLY A 9 -2.023 -8.015 -0.449 1.00 0.00 H new ATOM 0 HA2 GLY A 9 -4.197 -8.683 -0.642 1.00 0.00 H new ATOM 0 HA3 GLY A 9 -4.562 -8.094 0.967 1.00 0.00 H new ATOM 142 N HIS A 10 -4.546 -5.469 0.101 1.00 0.00 N ATOM 143 CA HIS A 10 -5.156 -4.227 -0.382 1.00 0.00 C ATOM 144 C HIS A 10 -4.705 -3.006 0.412 1.00 0.00 C ATOM 145 O HIS A 10 -4.256 -3.120 1.552 1.00 0.00 O ATOM 146 CB HIS A 10 -6.694 -4.318 -0.347 1.00 0.00 C ATOM 147 CG HIS A 10 -7.282 -4.715 0.984 1.00 0.00 C ATOM 148 ND1 HIS A 10 -8.625 -4.982 1.157 1.00 0.00 N ATOM 149 CD2 HIS A 10 -6.712 -4.894 2.203 1.00 0.00 C ATOM 150 CE1 HIS A 10 -8.851 -5.305 2.418 1.00 0.00 C ATOM 151 NE2 HIS A 10 -7.707 -5.260 3.073 1.00 0.00 N ATOM 0 H HIS A 10 -4.015 -5.372 0.966 1.00 0.00 H new ATOM 0 HA HIS A 10 -4.819 -4.102 -1.411 1.00 0.00 H new ATOM 0 HB2 HIS A 10 -7.106 -3.351 -0.635 1.00 0.00 H new ATOM 0 HB3 HIS A 10 -7.017 -5.038 -1.099 1.00 0.00 H new ATOM 0 HD2 HIS A 10 -5.666 -4.771 2.444 1.00 0.00 H new ATOM 0 HE1 HIS A 10 -9.811 -5.562 2.841 1.00 0.00 H new ATOM 0 HE2 HIS A 10 -7.583 -5.464 4.065 1.00 0.00 H new ATOM 160 N CYS A 11 -4.838 -1.847 -0.217 1.00 0.00 N ATOM 161 CA CYS A 11 -4.461 -0.570 0.386 1.00 0.00 C ATOM 162 C CYS A 11 -5.447 -0.152 1.465 1.00 0.00 C ATOM 163 O CYS A 11 -6.592 -0.626 1.504 1.00 0.00 O ATOM 164 CB CYS A 11 -4.431 0.528 -0.681 1.00 0.00 C ATOM 165 SG CYS A 11 -3.796 -0.029 -2.290 1.00 0.00 S ATOM 0 H CYS A 11 -5.211 -1.762 -1.163 1.00 0.00 H new ATOM 0 HA CYS A 11 -3.474 -0.702 0.830 1.00 0.00 H new ATOM 0 HB2 CYS A 11 -5.440 0.919 -0.815 1.00 0.00 H new ATOM 0 HB3 CYS A 11 -3.814 1.352 -0.323 1.00 0.00 H new ATOM 170 N LYS A 12 -5.011 0.776 2.303 1.00 0.00 N ATOM 171 CA LYS A 12 -5.848 1.325 3.352 1.00 0.00 C ATOM 172 C LYS A 12 -6.889 2.231 2.702 1.00 0.00 C ATOM 173 O LYS A 12 -6.672 2.714 1.588 1.00 0.00 O ATOM 174 CB LYS A 12 -4.984 2.113 4.348 1.00 0.00 C ATOM 175 CG LYS A 12 -5.754 2.739 5.502 1.00 0.00 C ATOM 176 CD LYS A 12 -4.852 3.633 6.341 1.00 0.00 C ATOM 177 CE LYS A 12 -5.623 4.341 7.445 1.00 0.00 C ATOM 178 NZ LYS A 12 -6.145 3.392 8.466 1.00 0.00 N ATOM 0 H LYS A 12 -4.069 1.167 2.273 1.00 0.00 H new ATOM 0 HA LYS A 12 -6.349 0.527 3.901 1.00 0.00 H new ATOM 0 HB2 LYS A 12 -4.224 1.446 4.756 1.00 0.00 H new ATOM 0 HB3 LYS A 12 -4.460 2.902 3.809 1.00 0.00 H new ATOM 0 HG2 LYS A 12 -6.589 3.322 5.113 1.00 0.00 H new ATOM 0 HG3 LYS A 12 -6.178 1.954 6.129 1.00 0.00 H new ATOM 0 HD2 LYS A 12 -4.055 3.034 6.782 1.00 0.00 H new ATOM 0 HD3 LYS A 12 -4.376 4.374 5.698 1.00 0.00 H new ATOM 0 HE2 LYS A 12 -4.973 5.071 7.929 1.00 0.00 H new ATOM 0 HE3 LYS A 12 -6.454 4.894 7.008 1.00 0.00 H new ATOM 0 HZ1 LYS A 12 -6.589 3.925 9.241 1.00 0.00 H new ATOM 0 HZ2 LYS A 12 -6.850 2.765 8.029 1.00 0.00 H new ATOM 0 HZ3 LYS A 12 -5.361 2.822 8.843 1.00 0.00 H new ATOM 192 N ARG A 13 -8.015 2.449 3.372 1.00 0.00 N ATOM 193 CA ARG A 13 -9.074 3.298 2.829 1.00 0.00 C ATOM 194 C ARG A 13 -8.616 4.751 2.771 1.00 0.00 C ATOM 195 O ARG A 13 -8.946 5.559 3.636 1.00 0.00 O ATOM 196 CB ARG A 13 -10.357 3.154 3.651 1.00 0.00 C ATOM 197 CG ARG A 13 -10.953 1.750 3.605 1.00 0.00 C ATOM 198 CD ARG A 13 -11.695 1.465 2.295 1.00 0.00 C ATOM 199 NE ARG A 13 -10.863 1.643 1.092 1.00 0.00 N ATOM 200 CZ ARG A 13 -9.766 0.929 0.803 1.00 0.00 C ATOM 201 NH1 ARG A 13 -9.359 -0.045 1.612 1.00 0.00 N ATOM 202 NH2 ARG A 13 -9.082 1.189 -0.307 1.00 0.00 N ATOM 0 H ARG A 13 -8.220 2.052 4.289 1.00 0.00 H new ATOM 0 HA ARG A 13 -9.292 2.973 1.812 1.00 0.00 H new ATOM 0 HB2 ARG A 13 -10.147 3.417 4.688 1.00 0.00 H new ATOM 0 HB3 ARG A 13 -11.096 3.866 3.285 1.00 0.00 H new ATOM 0 HG2 ARG A 13 -10.156 1.017 3.733 1.00 0.00 H new ATOM 0 HG3 ARG A 13 -11.640 1.624 4.442 1.00 0.00 H new ATOM 0 HD2 ARG A 13 -12.073 0.443 2.317 1.00 0.00 H new ATOM 0 HD3 ARG A 13 -12.561 2.123 2.228 1.00 0.00 H new ATOM 0 HE ARG A 13 -11.143 2.365 0.428 1.00 0.00 H new ATOM 0 HH11 ARG A 13 -9.883 -0.255 2.462 1.00 0.00 H new ATOM 0 HH12 ARG A 13 -8.523 -0.582 1.383 1.00 0.00 H new ATOM 0 HH21 ARG A 13 -9.392 1.930 -0.936 1.00 0.00 H new ATOM 0 HH22 ARG A 13 -8.247 0.648 -0.530 1.00 0.00 H new ATOM 216 N GLY A 14 -7.820 5.048 1.756 1.00 0.00 N ATOM 217 CA GLY A 14 -7.275 6.371 1.572 1.00 0.00 C ATOM 218 C GLY A 14 -6.115 6.355 0.599 1.00 0.00 C ATOM 219 O GLY A 14 -5.778 7.380 0.003 1.00 0.00 O ATOM 0 H GLY A 14 -7.538 4.376 1.042 1.00 0.00 H new ATOM 0 HA2 GLY A 14 -8.053 7.040 1.203 1.00 0.00 H new ATOM 0 HA3 GLY A 14 -6.943 6.767 2.532 1.00 0.00 H new ATOM 223 N GLU A 15 -5.487 5.189 0.447 1.00 0.00 N ATOM 224 CA GLU A 15 -4.354 5.045 -0.446 1.00 0.00 C ATOM 225 C GLU A 15 -4.787 4.596 -1.828 1.00 0.00 C ATOM 226 O GLU A 15 -5.657 3.735 -1.984 1.00 0.00 O ATOM 227 CB GLU A 15 -3.361 4.053 0.136 1.00 0.00 C ATOM 228 CG GLU A 15 -2.848 4.465 1.497 1.00 0.00 C ATOM 229 CD GLU A 15 -2.138 3.339 2.199 1.00 0.00 C ATOM 230 OE1 GLU A 15 -2.689 2.219 2.226 1.00 0.00 O ATOM 231 OE2 GLU A 15 -1.037 3.565 2.743 1.00 0.00 O ATOM 0 H GLU A 15 -5.750 4.333 0.935 1.00 0.00 H new ATOM 0 HA GLU A 15 -3.879 6.021 -0.547 1.00 0.00 H new ATOM 0 HB2 GLU A 15 -3.835 3.074 0.213 1.00 0.00 H new ATOM 0 HB3 GLU A 15 -2.519 3.946 -0.547 1.00 0.00 H new ATOM 0 HG2 GLU A 15 -2.168 5.309 1.387 1.00 0.00 H new ATOM 0 HG3 GLU A 15 -3.682 4.806 2.111 1.00 0.00 H new ATOM 238 N ARG A 16 -4.150 5.176 -2.821 1.00 0.00 N ATOM 239 CA ARG A 16 -4.415 4.854 -4.212 1.00 0.00 C ATOM 240 C ARG A 16 -3.356 3.877 -4.707 1.00 0.00 C ATOM 241 O ARG A 16 -2.164 4.092 -4.491 1.00 0.00 O ATOM 242 CB ARG A 16 -4.391 6.126 -5.071 1.00 0.00 C ATOM 243 CG ARG A 16 -5.551 6.247 -6.053 1.00 0.00 C ATOM 244 CD ARG A 16 -5.635 5.060 -7.009 1.00 0.00 C ATOM 245 NE ARG A 16 -4.415 4.876 -7.805 1.00 0.00 N ATOM 246 CZ ARG A 16 -3.994 5.706 -8.765 1.00 0.00 C ATOM 247 NH1 ARG A 16 -4.694 6.794 -9.075 1.00 0.00 N ATOM 248 NH2 ARG A 16 -2.874 5.429 -9.421 1.00 0.00 N ATOM 0 H ARG A 16 -3.431 5.887 -2.690 1.00 0.00 H new ATOM 0 HA ARG A 16 -5.403 4.401 -4.293 1.00 0.00 H new ATOM 0 HB2 ARG A 16 -4.397 6.994 -4.412 1.00 0.00 H new ATOM 0 HB3 ARG A 16 -3.455 6.155 -5.629 1.00 0.00 H new ATOM 0 HG2 ARG A 16 -6.485 6.329 -5.498 1.00 0.00 H new ATOM 0 HG3 ARG A 16 -5.441 7.166 -6.629 1.00 0.00 H new ATOM 0 HD2 ARG A 16 -5.829 4.153 -6.437 1.00 0.00 H new ATOM 0 HD3 ARG A 16 -6.482 5.201 -7.680 1.00 0.00 H new ATOM 0 HE ARG A 16 -3.845 4.052 -7.611 1.00 0.00 H new ATOM 0 HH11 ARG A 16 -5.561 7.001 -8.579 1.00 0.00 H new ATOM 0 HH12 ARG A 16 -4.364 7.421 -9.809 1.00 0.00 H new ATOM 0 HH21 ARG A 16 -2.343 4.589 -9.191 1.00 0.00 H new ATOM 0 HH22 ARG A 16 -2.545 6.056 -10.155 1.00 0.00 H new ATOM 262 N VAL A 17 -3.788 2.808 -5.358 1.00 0.00 N ATOM 263 CA VAL A 17 -2.867 1.802 -5.872 1.00 0.00 C ATOM 264 C VAL A 17 -1.930 2.405 -6.911 1.00 0.00 C ATOM 265 O VAL A 17 -2.370 2.971 -7.915 1.00 0.00 O ATOM 266 CB VAL A 17 -3.622 0.614 -6.507 1.00 0.00 C ATOM 267 CG1 VAL A 17 -2.660 -0.515 -6.849 1.00 0.00 C ATOM 268 CG2 VAL A 17 -4.727 0.120 -5.586 1.00 0.00 C ATOM 0 H VAL A 17 -4.772 2.613 -5.544 1.00 0.00 H new ATOM 0 HA VAL A 17 -2.287 1.439 -5.023 1.00 0.00 H new ATOM 0 HB VAL A 17 -4.083 0.961 -7.432 1.00 0.00 H new ATOM 0 HG11 VAL A 17 -3.213 -1.342 -7.295 1.00 0.00 H new ATOM 0 HG12 VAL A 17 -1.913 -0.155 -7.556 1.00 0.00 H new ATOM 0 HG13 VAL A 17 -2.164 -0.858 -5.941 1.00 0.00 H new ATOM 0 HG21 VAL A 17 -5.245 -0.717 -6.055 1.00 0.00 H new ATOM 0 HG22 VAL A 17 -4.294 -0.205 -4.640 1.00 0.00 H new ATOM 0 HG23 VAL A 17 -5.436 0.928 -5.402 1.00 0.00 H new ATOM 278 N ARG A 18 -0.642 2.270 -6.658 1.00 0.00 N ATOM 279 CA ARG A 18 0.382 2.770 -7.555 1.00 0.00 C ATOM 280 C ARG A 18 0.857 1.634 -8.438 1.00 0.00 C ATOM 281 O ARG A 18 1.154 1.823 -9.615 1.00 0.00 O ATOM 282 CB ARG A 18 1.564 3.339 -6.766 1.00 0.00 C ATOM 283 CG ARG A 18 2.574 4.083 -7.626 1.00 0.00 C ATOM 284 CD ARG A 18 3.884 4.303 -6.885 1.00 0.00 C ATOM 285 NE ARG A 18 4.779 5.218 -7.598 1.00 0.00 N ATOM 286 CZ ARG A 18 4.662 6.547 -7.573 1.00 0.00 C ATOM 287 NH1 ARG A 18 3.761 7.124 -6.782 1.00 0.00 N ATOM 288 NH2 ARG A 18 5.471 7.301 -8.311 1.00 0.00 N ATOM 0 H ARG A 18 -0.276 1.810 -5.824 1.00 0.00 H new ATOM 0 HA ARG A 18 -0.038 3.570 -8.165 1.00 0.00 H new ATOM 0 HB2 ARG A 18 1.185 4.015 -5.999 1.00 0.00 H new ATOM 0 HB3 ARG A 18 2.071 2.524 -6.250 1.00 0.00 H new ATOM 0 HG2 ARG A 18 2.762 3.518 -8.539 1.00 0.00 H new ATOM 0 HG3 ARG A 18 2.159 5.045 -7.926 1.00 0.00 H new ATOM 0 HD2 ARG A 18 3.675 4.703 -5.893 1.00 0.00 H new ATOM 0 HD3 ARG A 18 4.384 3.345 -6.744 1.00 0.00 H new ATOM 0 HE ARG A 18 5.538 4.814 -8.147 1.00 0.00 H new ATOM 0 HH11 ARG A 18 3.158 6.550 -6.193 1.00 0.00 H new ATOM 0 HH12 ARG A 18 3.674 8.140 -6.765 1.00 0.00 H new ATOM 0 HH21 ARG A 18 6.182 6.864 -8.897 1.00 0.00 H new ATOM 0 HH22 ARG A 18 5.381 8.317 -8.291 1.00 0.00 H new ATOM 302 N GLY A 19 0.923 0.450 -7.847 1.00 0.00 N ATOM 303 CA GLY A 19 1.358 -0.719 -8.580 1.00 0.00 C ATOM 304 C GLY A 19 1.418 -1.958 -7.713 1.00 0.00 C ATOM 305 O GLY A 19 0.779 -2.023 -6.663 1.00 0.00 O ATOM 0 H GLY A 19 0.682 0.279 -6.871 1.00 0.00 H new ATOM 0 HA2 GLY A 19 0.678 -0.895 -9.413 1.00 0.00 H new ATOM 0 HA3 GLY A 19 2.343 -0.530 -9.007 1.00 0.00 H new ATOM 309 N THR A 20 2.185 -2.937 -8.155 1.00 0.00 N ATOM 310 CA THR A 20 2.336 -4.190 -7.432 1.00 0.00 C ATOM 311 C THR A 20 3.693 -4.272 -6.740 1.00 0.00 C ATOM 312 O THR A 20 4.704 -3.838 -7.289 1.00 0.00 O ATOM 313 CB THR A 20 2.180 -5.390 -8.383 1.00 0.00 C ATOM 314 OG1 THR A 20 2.962 -5.173 -9.565 1.00 0.00 O ATOM 315 CG2 THR A 20 0.721 -5.596 -8.763 1.00 0.00 C ATOM 0 H THR A 20 2.720 -2.889 -9.022 1.00 0.00 H new ATOM 0 HA THR A 20 1.553 -4.222 -6.675 1.00 0.00 H new ATOM 0 HB THR A 20 2.531 -6.285 -7.870 1.00 0.00 H new ATOM 0 HG1 THR A 20 2.863 -5.939 -10.168 1.00 0.00 H new ATOM 0 HG21 THR A 20 0.637 -6.450 -9.435 1.00 0.00 H new ATOM 0 HG22 THR A 20 0.134 -5.783 -7.864 1.00 0.00 H new ATOM 0 HG23 THR A 20 0.345 -4.703 -9.262 1.00 0.00 H new ATOM 323 N CYS A 21 3.708 -4.839 -5.542 1.00 0.00 N ATOM 324 CA CYS A 21 4.940 -4.994 -4.781 1.00 0.00 C ATOM 325 C CYS A 21 5.472 -6.410 -4.899 1.00 0.00 C ATOM 326 O CYS A 21 6.678 -6.632 -4.979 1.00 0.00 O ATOM 327 CB CYS A 21 4.706 -4.639 -3.312 1.00 0.00 C ATOM 328 SG CYS A 21 4.528 -2.852 -3.015 1.00 0.00 S ATOM 0 H CYS A 21 2.877 -5.201 -5.074 1.00 0.00 H new ATOM 0 HA CYS A 21 5.683 -4.312 -5.194 1.00 0.00 H new ATOM 0 HB2 CYS A 21 3.808 -5.148 -2.962 1.00 0.00 H new ATOM 0 HB3 CYS A 21 5.539 -5.017 -2.718 1.00 0.00 H new ATOM 333 N GLY A 22 4.562 -7.364 -4.914 1.00 0.00 N ATOM 334 CA GLY A 22 4.948 -8.751 -5.028 1.00 0.00 C ATOM 335 C GLY A 22 3.763 -9.675 -4.901 1.00 0.00 C ATOM 336 O GLY A 22 2.620 -9.257 -5.119 1.00 0.00 O ATOM 0 H GLY A 22 3.557 -7.203 -4.849 1.00 0.00 H new ATOM 0 HA2 GLY A 22 5.435 -8.915 -5.989 1.00 0.00 H new ATOM 0 HA3 GLY A 22 5.679 -8.989 -4.255 1.00 0.00 H new ATOM 340 N ILE A 23 4.029 -10.923 -4.539 1.00 0.00 N ATOM 341 CA ILE A 23 2.980 -11.919 -4.378 1.00 0.00 C ATOM 342 C ILE A 23 2.009 -11.511 -3.276 1.00 0.00 C ATOM 343 O ILE A 23 2.291 -11.691 -2.095 1.00 0.00 O ATOM 344 CB ILE A 23 3.567 -13.311 -4.056 1.00 0.00 C ATOM 345 CG1 ILE A 23 4.601 -13.707 -5.115 1.00 0.00 C ATOM 346 CG2 ILE A 23 2.457 -14.354 -3.978 1.00 0.00 C ATOM 347 CD1 ILE A 23 5.297 -15.021 -4.827 1.00 0.00 C ATOM 0 H ILE A 23 4.969 -11.271 -4.350 1.00 0.00 H new ATOM 0 HA ILE A 23 2.445 -11.978 -5.326 1.00 0.00 H new ATOM 0 HB ILE A 23 4.062 -13.264 -3.086 1.00 0.00 H new ATOM 0 HG12 ILE A 23 4.108 -13.773 -6.085 1.00 0.00 H new ATOM 0 HG13 ILE A 23 5.350 -12.919 -5.191 1.00 0.00 H new ATOM 0 HG21 ILE A 23 2.889 -15.329 -3.750 1.00 0.00 H new ATOM 0 HG22 ILE A 23 1.752 -14.077 -3.194 1.00 0.00 H new ATOM 0 HG23 ILE A 23 1.936 -14.403 -4.934 1.00 0.00 H new ATOM 0 HD11 ILE A 23 6.014 -15.234 -5.620 1.00 0.00 H new ATOM 0 HD12 ILE A 23 5.820 -14.954 -3.873 1.00 0.00 H new ATOM 0 HD13 ILE A 23 4.559 -15.821 -4.781 1.00 0.00 H new ATOM 359 N ARG A 24 0.872 -10.958 -3.696 1.00 0.00 N ATOM 360 CA ARG A 24 -0.183 -10.500 -2.791 1.00 0.00 C ATOM 361 C ARG A 24 0.160 -9.184 -2.096 1.00 0.00 C ATOM 362 O ARG A 24 -0.455 -8.847 -1.083 1.00 0.00 O ATOM 363 CB ARG A 24 -0.529 -11.571 -1.747 1.00 0.00 C ATOM 364 CG ARG A 24 -1.606 -12.552 -2.199 1.00 0.00 C ATOM 365 CD ARG A 24 -2.988 -11.906 -2.264 1.00 0.00 C ATOM 366 NE ARG A 24 -3.091 -10.888 -3.314 1.00 0.00 N ATOM 367 CZ ARG A 24 -4.181 -10.146 -3.534 1.00 0.00 C ATOM 368 NH1 ARG A 24 -5.276 -10.330 -2.802 1.00 0.00 N ATOM 369 NH2 ARG A 24 -4.177 -9.227 -4.495 1.00 0.00 N ATOM 0 H ARG A 24 0.655 -10.814 -4.682 1.00 0.00 H new ATOM 0 HA ARG A 24 -1.056 -10.319 -3.418 1.00 0.00 H new ATOM 0 HB2 ARG A 24 0.375 -12.128 -1.499 1.00 0.00 H new ATOM 0 HB3 ARG A 24 -0.861 -11.079 -0.833 1.00 0.00 H new ATOM 0 HG2 ARG A 24 -1.346 -12.947 -3.181 1.00 0.00 H new ATOM 0 HG3 ARG A 24 -1.635 -13.398 -1.512 1.00 0.00 H new ATOM 0 HD2 ARG A 24 -3.737 -12.678 -2.439 1.00 0.00 H new ATOM 0 HD3 ARG A 24 -3.217 -11.452 -1.300 1.00 0.00 H new ATOM 0 HE ARG A 24 -2.280 -10.736 -3.914 1.00 0.00 H new ATOM 0 HH11 ARG A 24 -5.286 -11.040 -2.069 1.00 0.00 H new ATOM 0 HH12 ARG A 24 -6.105 -9.762 -2.973 1.00 0.00 H new ATOM 0 HH21 ARG A 24 -3.342 -9.088 -5.064 1.00 0.00 H new ATOM 0 HH22 ARG A 24 -5.009 -8.661 -4.663 1.00 0.00 H new ATOM 383 N PHE A 25 1.096 -8.416 -2.648 1.00 0.00 N ATOM 384 CA PHE A 25 1.440 -7.130 -2.066 1.00 0.00 C ATOM 385 C PHE A 25 1.281 -6.047 -3.109 1.00 0.00 C ATOM 386 O PHE A 25 1.731 -6.195 -4.248 1.00 0.00 O ATOM 387 CB PHE A 25 2.860 -7.121 -1.494 1.00 0.00 C ATOM 388 CG PHE A 25 3.030 -8.028 -0.310 1.00 0.00 C ATOM 389 CD1 PHE A 25 3.090 -9.398 -0.477 1.00 0.00 C ATOM 390 CD2 PHE A 25 3.120 -7.510 0.973 1.00 0.00 C ATOM 391 CE1 PHE A 25 3.230 -10.239 0.606 1.00 0.00 C ATOM 392 CE2 PHE A 25 3.259 -8.348 2.063 1.00 0.00 C ATOM 393 CZ PHE A 25 3.313 -9.716 1.876 1.00 0.00 C ATOM 0 H PHE A 25 1.622 -8.661 -3.487 1.00 0.00 H new ATOM 0 HA PHE A 25 0.761 -6.941 -1.235 1.00 0.00 H new ATOM 0 HB2 PHE A 25 3.560 -7.419 -2.274 1.00 0.00 H new ATOM 0 HB3 PHE A 25 3.121 -6.103 -1.203 1.00 0.00 H new ATOM 0 HD1 PHE A 25 3.026 -9.816 -1.471 1.00 0.00 H new ATOM 0 HD2 PHE A 25 3.081 -6.441 1.122 1.00 0.00 H new ATOM 0 HE1 PHE A 25 3.275 -11.308 0.458 1.00 0.00 H new ATOM 0 HE2 PHE A 25 3.325 -7.935 3.059 1.00 0.00 H new ATOM 0 HZ PHE A 25 3.420 -10.374 2.726 1.00 0.00 H new ATOM 403 N LEU A 26 0.627 -4.977 -2.720 1.00 0.00 N ATOM 404 CA LEU A 26 0.378 -3.860 -3.611 1.00 0.00 C ATOM 405 C LEU A 26 1.059 -2.606 -3.093 1.00 0.00 C ATOM 406 O LEU A 26 1.097 -2.362 -1.888 1.00 0.00 O ATOM 407 CB LEU A 26 -1.127 -3.609 -3.747 1.00 0.00 C ATOM 408 CG LEU A 26 -1.946 -4.795 -4.262 1.00 0.00 C ATOM 409 CD1 LEU A 26 -3.429 -4.463 -4.241 1.00 0.00 C ATOM 410 CD2 LEU A 26 -1.506 -5.178 -5.668 1.00 0.00 C ATOM 0 H LEU A 26 0.252 -4.853 -1.780 1.00 0.00 H new ATOM 0 HA LEU A 26 0.787 -4.108 -4.590 1.00 0.00 H new ATOM 0 HB2 LEU A 26 -1.519 -3.314 -2.773 1.00 0.00 H new ATOM 0 HB3 LEU A 26 -1.278 -2.765 -4.420 1.00 0.00 H new ATOM 0 HG LEU A 26 -1.772 -5.646 -3.604 1.00 0.00 H new ATOM 0 HD11 LEU A 26 -3.998 -5.316 -4.610 1.00 0.00 H new ATOM 0 HD12 LEU A 26 -3.737 -4.236 -3.220 1.00 0.00 H new ATOM 0 HD13 LEU A 26 -3.617 -3.599 -4.878 1.00 0.00 H new ATOM 0 HD21 LEU A 26 -2.099 -6.023 -6.017 1.00 0.00 H new ATOM 0 HD22 LEU A 26 -1.651 -4.331 -6.338 1.00 0.00 H new ATOM 0 HD23 LEU A 26 -0.452 -5.455 -5.657 1.00 0.00 H new ATOM 422 N TYR A 27 1.576 -1.815 -4.011 1.00 0.00 N ATOM 423 CA TYR A 27 2.234 -0.573 -3.664 1.00 0.00 C ATOM 424 C TYR A 27 1.207 0.532 -3.766 1.00 0.00 C ATOM 425 O TYR A 27 0.730 0.839 -4.859 1.00 0.00 O ATOM 426 CB TYR A 27 3.398 -0.311 -4.622 1.00 0.00 C ATOM 427 CG TYR A 27 4.429 0.672 -4.113 1.00 0.00 C ATOM 428 CD1 TYR A 27 4.833 0.665 -2.783 1.00 0.00 C ATOM 429 CD2 TYR A 27 5.011 1.597 -4.969 1.00 0.00 C ATOM 430 CE1 TYR A 27 5.785 1.552 -2.322 1.00 0.00 C ATOM 431 CE2 TYR A 27 5.967 2.486 -4.516 1.00 0.00 C ATOM 432 CZ TYR A 27 6.350 2.460 -3.193 1.00 0.00 C ATOM 433 OH TYR A 27 7.297 3.348 -2.738 1.00 0.00 O ATOM 0 H TYR A 27 1.552 -2.013 -5.011 1.00 0.00 H new ATOM 0 HA TYR A 27 2.638 -0.621 -2.653 1.00 0.00 H new ATOM 0 HB2 TYR A 27 3.894 -1.258 -4.836 1.00 0.00 H new ATOM 0 HB3 TYR A 27 2.997 0.060 -5.565 1.00 0.00 H new ATOM 0 HD1 TYR A 27 4.395 -0.046 -2.099 1.00 0.00 H new ATOM 0 HD2 TYR A 27 4.712 1.622 -6.006 1.00 0.00 H new ATOM 0 HE1 TYR A 27 6.086 1.535 -1.285 1.00 0.00 H new ATOM 0 HE2 TYR A 27 6.412 3.198 -5.196 1.00 0.00 H new ATOM 0 HH TYR A 27 7.594 3.917 -3.478 1.00 0.00 H new ATOM 443 N CYS A 28 0.830 1.081 -2.634 1.00 0.00 N ATOM 444 CA CYS A 28 -0.192 2.114 -2.604 1.00 0.00 C ATOM 445 C CYS A 28 0.340 3.435 -2.073 1.00 0.00 C ATOM 446 O CYS A 28 1.158 3.467 -1.158 1.00 0.00 O ATOM 447 CB CYS A 28 -1.363 1.651 -1.743 1.00 0.00 C ATOM 448 SG CYS A 28 -1.799 -0.099 -1.989 1.00 0.00 S ATOM 0 H CYS A 28 1.212 0.833 -1.721 1.00 0.00 H new ATOM 0 HA CYS A 28 -0.520 2.281 -3.630 1.00 0.00 H new ATOM 0 HB2 CYS A 28 -1.118 1.812 -0.693 1.00 0.00 H new ATOM 0 HB3 CYS A 28 -2.233 2.269 -1.965 1.00 0.00 H new ATOM 453 N CYS A 29 -0.147 4.520 -2.648 1.00 0.00 N ATOM 454 CA CYS A 29 0.251 5.854 -2.232 1.00 0.00 C ATOM 455 C CYS A 29 -0.961 6.595 -1.686 1.00 0.00 C ATOM 456 O CYS A 29 -1.960 6.749 -2.387 1.00 0.00 O ATOM 457 CB CYS A 29 0.837 6.635 -3.409 1.00 0.00 C ATOM 458 SG CYS A 29 2.067 5.712 -4.386 1.00 0.00 S ATOM 0 H CYS A 29 -0.824 4.503 -3.411 1.00 0.00 H new ATOM 0 HA CYS A 29 1.014 5.766 -1.458 1.00 0.00 H new ATOM 0 HB2 CYS A 29 0.024 6.941 -4.067 1.00 0.00 H new ATOM 0 HB3 CYS A 29 1.301 7.546 -3.030 1.00 0.00 H new ATOM 463 N PRO A 30 -0.899 7.055 -0.428 1.00 0.00 N ATOM 464 CA PRO A 30 -2.005 7.779 0.207 1.00 0.00 C ATOM 465 C PRO A 30 -2.422 9.009 -0.590 1.00 0.00 C ATOM 466 O PRO A 30 -1.596 9.641 -1.252 1.00 0.00 O ATOM 467 CB PRO A 30 -1.435 8.190 1.564 1.00 0.00 C ATOM 468 CG PRO A 30 -0.355 7.200 1.825 1.00 0.00 C ATOM 469 CD PRO A 30 0.245 6.898 0.484 1.00 0.00 C ATOM 0 HA PRO A 30 -2.903 7.166 0.279 1.00 0.00 H new ATOM 0 HB2 PRO A 30 -1.044 9.207 1.540 1.00 0.00 H new ATOM 0 HB3 PRO A 30 -2.198 8.160 2.342 1.00 0.00 H new ATOM 0 HG2 PRO A 30 0.392 7.605 2.507 1.00 0.00 H new ATOM 0 HG3 PRO A 30 -0.754 6.298 2.289 1.00 0.00 H new ATOM 0 HD2 PRO A 30 1.055 7.585 0.239 1.00 0.00 H new ATOM 0 HD3 PRO A 30 0.659 5.890 0.444 1.00 0.00 H new ATOM 477 N ARG A 31 -3.708 9.331 -0.533 1.00 0.00 N ATOM 478 CA ARG A 31 -4.244 10.479 -1.253 1.00 0.00 C ATOM 479 C ARG A 31 -3.558 11.757 -0.773 1.00 0.00 C ATOM 480 O ARG A 31 -3.205 12.626 -1.572 1.00 0.00 O ATOM 481 CB ARG A 31 -5.761 10.579 -1.042 1.00 0.00 C ATOM 482 CG ARG A 31 -6.533 11.091 -2.255 1.00 0.00 C ATOM 483 CD ARG A 31 -6.074 12.475 -2.686 1.00 0.00 C ATOM 484 NE ARG A 31 -6.844 12.987 -3.821 1.00 0.00 N ATOM 485 CZ ARG A 31 -6.549 14.114 -4.469 1.00 0.00 C ATOM 486 NH1 ARG A 31 -5.471 14.814 -4.129 1.00 0.00 N ATOM 487 NH2 ARG A 31 -7.323 14.533 -5.467 1.00 0.00 N ATOM 0 H ARG A 31 -4.401 8.812 0.006 1.00 0.00 H new ATOM 0 HA ARG A 31 -4.051 10.351 -2.318 1.00 0.00 H new ATOM 0 HB2 ARG A 31 -6.144 9.595 -0.772 1.00 0.00 H new ATOM 0 HB3 ARG A 31 -5.955 11.240 -0.197 1.00 0.00 H new ATOM 0 HG2 ARG A 31 -6.408 10.394 -3.084 1.00 0.00 H new ATOM 0 HG3 ARG A 31 -7.597 11.120 -2.021 1.00 0.00 H new ATOM 0 HD2 ARG A 31 -6.167 13.164 -1.846 1.00 0.00 H new ATOM 0 HD3 ARG A 31 -5.018 12.438 -2.953 1.00 0.00 H new ATOM 0 HE ARG A 31 -7.653 12.450 -4.134 1.00 0.00 H new ATOM 0 HH11 ARG A 31 -4.869 14.489 -3.372 1.00 0.00 H new ATOM 0 HH12 ARG A 31 -5.245 15.676 -4.625 1.00 0.00 H new ATOM 0 HH21 ARG A 31 -8.144 13.992 -5.738 1.00 0.00 H new ATOM 0 HH22 ARG A 31 -7.095 15.396 -5.961 1.00 0.00 H new ATOM 501 N ARG A 32 -3.357 11.849 0.536 1.00 0.00 N ATOM 502 CA ARG A 32 -2.694 12.997 1.132 1.00 0.00 C ATOM 503 C ARG A 32 -1.189 12.883 0.963 1.00 0.00 C ATOM 504 O ARG A 32 -0.548 13.895 0.623 1.00 0.00 O ATOM 505 CB ARG A 32 -3.046 13.118 2.615 1.00 0.00 C ATOM 506 CG ARG A 32 -4.353 13.848 2.875 1.00 0.00 C ATOM 507 CD ARG A 32 -4.328 15.249 2.278 1.00 0.00 C ATOM 508 NE ARG A 32 -3.138 16.005 2.682 1.00 0.00 N ATOM 509 CZ ARG A 32 -2.932 16.499 3.907 1.00 0.00 C ATOM 510 NH1 ARG A 32 -3.869 16.384 4.846 1.00 0.00 N ATOM 511 NH2 ARG A 32 -1.788 17.116 4.185 1.00 0.00 N ATOM 512 OXT ARG A 32 -0.658 11.770 1.150 1.00 0.00 O ATOM 0 H ARG A 32 -3.646 11.137 1.206 1.00 0.00 H new ATOM 0 HA ARG A 32 -3.042 13.894 0.620 1.00 0.00 H new ATOM 0 HB2 ARG A 32 -3.106 12.119 3.048 1.00 0.00 H new ATOM 0 HB3 ARG A 32 -2.240 13.641 3.129 1.00 0.00 H new ATOM 0 HG2 ARG A 32 -5.180 13.282 2.447 1.00 0.00 H new ATOM 0 HG3 ARG A 32 -4.531 13.910 3.949 1.00 0.00 H new ATOM 0 HD2 ARG A 32 -4.359 15.179 1.191 1.00 0.00 H new ATOM 0 HD3 ARG A 32 -5.222 15.790 2.588 1.00 0.00 H new ATOM 0 HE ARG A 32 -2.417 16.165 1.979 1.00 0.00 H new ATOM 0 HH11 ARG A 32 -4.750 15.917 4.633 1.00 0.00 H new ATOM 0 HH12 ARG A 32 -3.706 16.763 5.779 1.00 0.00 H new ATOM 0 HH21 ARG A 32 -1.072 17.211 3.465 1.00 0.00 H new ATOM 0 HH22 ARG A 32 -1.626 17.495 5.118 1.00 0.00 H new TER 526 ARG A 32