USER MOD reduce.3.24.130724 H: found=0, std=0, add=264, rem=0, adj=5 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+ -172:sc= -0.855! (180deg=-1.21!) USER MOD Single : A 5 TYR OH : rot -104:sc= 1.08 USER MOD Single : A 8 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 10 HIS :FLIP no HD1:sc= -0.261 F(o=-1.8,f=-0.26) USER MOD Single : A 12 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 20 THR OG1 : rot 180:sc= 0.0191 USER MOD Single : A 27 TYR OH : rot 180:sc= -0.0411 USER MOD ----------------------------------------------------------------- ATOM 1 N GLY A 1 0.960 13.054 3.384 1.00 0.00 N ATOM 2 CA GLY A 1 2.426 13.249 3.413 1.00 0.00 C ATOM 3 C GLY A 1 3.132 12.302 2.471 1.00 0.00 C ATOM 4 O GLY A 1 2.744 12.173 1.308 1.00 0.00 O ATOM 0 H1 GLY A 1 0.499 13.806 3.935 1.00 0.00 H new ATOM 0 H2 GLY A 1 0.624 13.091 2.400 1.00 0.00 H new ATOM 0 H3 GLY A 1 0.725 12.128 3.796 1.00 0.00 H new ATOM 0 HA2 GLY A 1 2.662 14.278 3.140 1.00 0.00 H new ATOM 0 HA3 GLY A 1 2.794 13.096 4.427 1.00 0.00 H new ATOM 10 N LEU A 2 4.157 11.630 2.976 1.00 0.00 N ATOM 11 CA LEU A 2 4.919 10.672 2.189 1.00 0.00 C ATOM 12 C LEU A 2 5.182 9.434 3.026 1.00 0.00 C ATOM 13 O LEU A 2 5.560 9.536 4.194 1.00 0.00 O ATOM 14 CB LEU A 2 6.252 11.263 1.727 1.00 0.00 C ATOM 15 CG LEU A 2 6.161 12.535 0.878 1.00 0.00 C ATOM 16 CD1 LEU A 2 7.544 13.125 0.656 1.00 0.00 C ATOM 17 CD2 LEU A 2 5.493 12.240 -0.456 1.00 0.00 C ATOM 0 H LEU A 2 4.482 11.733 3.937 1.00 0.00 H new ATOM 0 HA LEU A 2 4.336 10.416 1.304 1.00 0.00 H new ATOM 0 HB2 LEU A 2 6.856 11.480 2.608 1.00 0.00 H new ATOM 0 HB3 LEU A 2 6.785 10.504 1.154 1.00 0.00 H new ATOM 0 HG LEU A 2 5.554 13.264 1.415 1.00 0.00 H new ATOM 0 HD11 LEU A 2 7.462 14.028 0.051 1.00 0.00 H new ATOM 0 HD12 LEU A 2 7.993 13.372 1.618 1.00 0.00 H new ATOM 0 HD13 LEU A 2 8.171 12.398 0.139 1.00 0.00 H new ATOM 0 HD21 LEU A 2 5.437 13.155 -1.045 1.00 0.00 H new ATOM 0 HD22 LEU A 2 6.075 11.495 -0.998 1.00 0.00 H new ATOM 0 HD23 LEU A 2 4.487 11.858 -0.283 1.00 0.00 H new ATOM 29 N LEU A 3 4.969 8.279 2.424 1.00 0.00 N ATOM 30 CA LEU A 3 5.161 6.998 3.090 1.00 0.00 C ATOM 31 C LEU A 3 4.913 5.873 2.096 1.00 0.00 C ATOM 32 O LEU A 3 4.217 6.071 1.106 1.00 0.00 O ATOM 33 CB LEU A 3 4.203 6.859 4.283 1.00 0.00 C ATOM 34 CG LEU A 3 4.391 5.604 5.141 1.00 0.00 C ATOM 35 CD1 LEU A 3 5.751 5.616 5.822 1.00 0.00 C ATOM 36 CD2 LEU A 3 3.277 5.492 6.172 1.00 0.00 C ATOM 0 H LEU A 3 4.657 8.199 1.456 1.00 0.00 H new ATOM 0 HA LEU A 3 6.184 6.943 3.462 1.00 0.00 H new ATOM 0 HB2 LEU A 3 4.318 7.735 4.922 1.00 0.00 H new ATOM 0 HB3 LEU A 3 3.180 6.871 3.907 1.00 0.00 H new ATOM 0 HG LEU A 3 4.345 4.733 4.488 1.00 0.00 H new ATOM 0 HD11 LEU A 3 5.863 4.716 6.426 1.00 0.00 H new ATOM 0 HD12 LEU A 3 6.536 5.646 5.066 1.00 0.00 H new ATOM 0 HD13 LEU A 3 5.830 6.495 6.462 1.00 0.00 H new ATOM 0 HD21 LEU A 3 3.426 4.595 6.773 1.00 0.00 H new ATOM 0 HD22 LEU A 3 3.291 6.369 6.819 1.00 0.00 H new ATOM 0 HD23 LEU A 3 2.315 5.432 5.663 1.00 0.00 H new ATOM 48 N CYS A 4 5.474 4.707 2.367 1.00 0.00 N ATOM 49 CA CYS A 4 5.309 3.539 1.511 1.00 0.00 C ATOM 50 C CYS A 4 5.396 2.283 2.365 1.00 0.00 C ATOM 51 O CYS A 4 6.156 2.250 3.333 1.00 0.00 O ATOM 52 CB CYS A 4 6.375 3.507 0.411 1.00 0.00 C ATOM 53 SG CYS A 4 6.169 4.776 -0.886 1.00 0.00 S ATOM 0 H CYS A 4 6.058 4.541 3.187 1.00 0.00 H new ATOM 0 HA CYS A 4 4.334 3.590 1.026 1.00 0.00 H new ATOM 0 HB2 CYS A 4 7.356 3.632 0.870 1.00 0.00 H new ATOM 0 HB3 CYS A 4 6.365 2.523 -0.057 1.00 0.00 H new ATOM 58 N TYR A 5 4.615 1.260 2.032 1.00 0.00 N ATOM 59 CA TYR A 5 4.626 0.033 2.807 1.00 0.00 C ATOM 60 C TYR A 5 4.067 -1.142 2.014 1.00 0.00 C ATOM 61 O TYR A 5 3.234 -0.980 1.117 1.00 0.00 O ATOM 62 CB TYR A 5 3.848 0.208 4.125 1.00 0.00 C ATOM 63 CG TYR A 5 2.355 0.458 3.970 1.00 0.00 C ATOM 64 CD1 TYR A 5 1.476 -0.580 3.674 1.00 0.00 C ATOM 65 CD2 TYR A 5 1.824 1.730 4.147 1.00 0.00 C ATOM 66 CE1 TYR A 5 0.119 -0.357 3.550 1.00 0.00 C ATOM 67 CE2 TYR A 5 0.466 1.959 4.028 1.00 0.00 C ATOM 68 CZ TYR A 5 -0.382 0.914 3.729 1.00 0.00 C ATOM 69 OH TYR A 5 -1.735 1.139 3.614 1.00 0.00 O ATOM 0 H TYR A 5 3.974 1.259 1.238 1.00 0.00 H new ATOM 0 HA TYR A 5 5.667 -0.189 3.042 1.00 0.00 H new ATOM 0 HB2 TYR A 5 3.989 -0.686 4.732 1.00 0.00 H new ATOM 0 HB3 TYR A 5 4.284 1.041 4.677 1.00 0.00 H new ATOM 0 HD1 TYR A 5 1.863 -1.579 3.539 1.00 0.00 H new ATOM 0 HD2 TYR A 5 2.483 2.553 4.381 1.00 0.00 H new ATOM 0 HE1 TYR A 5 -0.546 -1.174 3.314 1.00 0.00 H new ATOM 0 HE2 TYR A 5 0.070 2.954 4.169 1.00 0.00 H new ATOM 0 HH TYR A 5 -1.923 1.571 2.754 1.00 0.00 H new ATOM 79 N CYS A 6 4.532 -2.320 2.379 1.00 0.00 N ATOM 80 CA CYS A 6 4.105 -3.569 1.768 1.00 0.00 C ATOM 81 C CYS A 6 2.976 -4.164 2.601 1.00 0.00 C ATOM 82 O CYS A 6 3.064 -4.184 3.829 1.00 0.00 O ATOM 83 CB CYS A 6 5.289 -4.536 1.703 1.00 0.00 C ATOM 84 SG CYS A 6 4.846 -6.258 1.310 1.00 0.00 S ATOM 0 H CYS A 6 5.226 -2.441 3.117 1.00 0.00 H new ATOM 0 HA CYS A 6 3.747 -3.389 0.754 1.00 0.00 H new ATOM 0 HB2 CYS A 6 5.993 -4.176 0.953 1.00 0.00 H new ATOM 0 HB3 CYS A 6 5.808 -4.519 2.662 1.00 0.00 H new ATOM 89 N ARG A 7 1.912 -4.633 1.959 1.00 0.00 N ATOM 90 CA ARG A 7 0.802 -5.201 2.699 1.00 0.00 C ATOM 91 C ARG A 7 0.051 -6.225 1.867 1.00 0.00 C ATOM 92 O ARG A 7 -0.117 -6.061 0.657 1.00 0.00 O ATOM 93 CB ARG A 7 -0.157 -4.106 3.172 1.00 0.00 C ATOM 94 CG ARG A 7 -1.060 -4.560 4.307 1.00 0.00 C ATOM 95 CD ARG A 7 -2.001 -3.459 4.762 1.00 0.00 C ATOM 96 NE ARG A 7 -3.021 -3.155 3.761 1.00 0.00 N ATOM 97 CZ ARG A 7 -4.066 -2.363 3.984 1.00 0.00 C ATOM 98 NH1 ARG A 7 -4.223 -1.782 5.169 1.00 0.00 N ATOM 99 NH2 ARG A 7 -4.951 -2.150 3.021 1.00 0.00 N ATOM 0 H ARG A 7 1.799 -4.630 0.945 1.00 0.00 H new ATOM 0 HA ARG A 7 1.216 -5.705 3.572 1.00 0.00 H new ATOM 0 HB2 ARG A 7 0.420 -3.241 3.498 1.00 0.00 H new ATOM 0 HB3 ARG A 7 -0.772 -3.781 2.333 1.00 0.00 H new ATOM 0 HG2 ARG A 7 -1.642 -5.423 3.984 1.00 0.00 H new ATOM 0 HG3 ARG A 7 -0.448 -4.885 5.149 1.00 0.00 H new ATOM 0 HD2 ARG A 7 -2.485 -3.758 5.692 1.00 0.00 H new ATOM 0 HD3 ARG A 7 -1.426 -2.558 4.977 1.00 0.00 H new ATOM 0 HE ARG A 7 -2.926 -3.575 2.836 1.00 0.00 H new ATOM 0 HH11 ARG A 7 -3.541 -1.943 5.910 1.00 0.00 H new ATOM 0 HH12 ARG A 7 -5.025 -1.175 5.337 1.00 0.00 H new ATOM 0 HH21 ARG A 7 -4.830 -2.593 2.110 1.00 0.00 H new ATOM 0 HH22 ARG A 7 -5.753 -1.543 3.190 1.00 0.00 H new ATOM 113 N LYS A 8 -0.403 -7.272 2.529 1.00 0.00 N ATOM 114 CA LYS A 8 -1.152 -8.331 1.877 1.00 0.00 C ATOM 115 C LYS A 8 -2.578 -7.881 1.579 1.00 0.00 C ATOM 116 O LYS A 8 -3.157 -7.077 2.314 1.00 0.00 O ATOM 117 CB LYS A 8 -1.162 -9.596 2.742 1.00 0.00 C ATOM 118 CG LYS A 8 -1.771 -9.405 4.123 1.00 0.00 C ATOM 119 CD LYS A 8 -1.691 -10.682 4.947 1.00 0.00 C ATOM 120 CE LYS A 8 -2.432 -11.831 4.278 1.00 0.00 C ATOM 121 NZ LYS A 8 -2.298 -13.100 5.043 1.00 0.00 N ATOM 0 H LYS A 8 -0.264 -7.413 3.530 1.00 0.00 H new ATOM 0 HA LYS A 8 -0.660 -8.561 0.932 1.00 0.00 H new ATOM 0 HB2 LYS A 8 -1.715 -10.376 2.218 1.00 0.00 H new ATOM 0 HB3 LYS A 8 -0.138 -9.953 2.855 1.00 0.00 H new ATOM 0 HG2 LYS A 8 -1.251 -8.601 4.644 1.00 0.00 H new ATOM 0 HG3 LYS A 8 -2.812 -9.099 4.024 1.00 0.00 H new ATOM 0 HD2 LYS A 8 -0.646 -10.957 5.091 1.00 0.00 H new ATOM 0 HD3 LYS A 8 -2.113 -10.504 5.936 1.00 0.00 H new ATOM 0 HE2 LYS A 8 -3.487 -11.575 4.182 1.00 0.00 H new ATOM 0 HE3 LYS A 8 -2.045 -11.973 3.269 1.00 0.00 H new ATOM 0 HZ1 LYS A 8 -2.817 -13.857 4.554 1.00 0.00 H new ATOM 0 HZ2 LYS A 8 -1.293 -13.359 5.113 1.00 0.00 H new ATOM 0 HZ3 LYS A 8 -2.690 -12.973 5.998 1.00 0.00 H new ATOM 135 N GLY A 9 -3.135 -8.404 0.499 1.00 0.00 N ATOM 136 CA GLY A 9 -4.485 -8.054 0.114 1.00 0.00 C ATOM 137 C GLY A 9 -4.538 -6.926 -0.890 1.00 0.00 C ATOM 138 O GLY A 9 -4.664 -7.163 -2.091 1.00 0.00 O ATOM 0 H GLY A 9 -2.673 -9.069 -0.121 1.00 0.00 H new ATOM 0 HA2 GLY A 9 -4.976 -8.931 -0.307 1.00 0.00 H new ATOM 0 HA3 GLY A 9 -5.048 -7.769 1.003 1.00 0.00 H new ATOM 142 N HIS A 10 -4.442 -5.700 -0.397 1.00 0.00 N ATOM 143 CA HIS A 10 -4.483 -4.509 -1.244 1.00 0.00 C ATOM 144 C HIS A 10 -4.121 -3.266 -0.443 1.00 0.00 C ATOM 145 O HIS A 10 -3.949 -3.332 0.775 1.00 0.00 O ATOM 146 CB HIS A 10 -5.878 -4.324 -1.863 1.00 0.00 C ATOM 147 CG HIS A 10 -5.959 -4.690 -3.316 1.00 0.00 C ATOM 148 ND1 HIS A 10 -4.997 -5.056 -4.197 1.00 0.00 N flip ATOM 149 CD2 HIS A 10 -7.142 -4.692 -4.026 1.00 0.00 C flip ATOM 150 CE1 HIS A 10 -5.609 -5.270 -5.407 1.00 0.00 C flip ATOM 151 NE2 HIS A 10 -6.904 -5.045 -5.277 1.00 0.00 N flip ATOM 0 H HIS A 10 -4.334 -5.499 0.597 1.00 0.00 H new ATOM 0 HA HIS A 10 -3.754 -4.648 -2.042 1.00 0.00 H new ATOM 0 HB2 HIS A 10 -6.593 -4.930 -1.307 1.00 0.00 H new ATOM 0 HB3 HIS A 10 -6.181 -3.284 -1.744 1.00 0.00 H new ATOM 0 HD2 HIS A 10 -8.112 -4.444 -3.622 1.00 0.00 H new ATOM 0 HE1 HIS A 10 -5.112 -5.573 -6.317 1.00 0.00 H new ATOM 0 HE2 HIS A 10 -7.602 -5.129 -6.016 1.00 0.00 H new ATOM 160 N CYS A 11 -4.016 -2.140 -1.139 1.00 0.00 N ATOM 161 CA CYS A 11 -3.682 -0.860 -0.520 1.00 0.00 C ATOM 162 C CYS A 11 -4.808 -0.382 0.387 1.00 0.00 C ATOM 163 O CYS A 11 -5.918 -0.923 0.361 1.00 0.00 O ATOM 164 CB CYS A 11 -3.439 0.198 -1.597 1.00 0.00 C ATOM 165 SG CYS A 11 -2.256 -0.310 -2.888 1.00 0.00 S ATOM 0 H CYS A 11 -4.160 -2.087 -2.147 1.00 0.00 H new ATOM 0 HA CYS A 11 -2.779 -1.004 0.074 1.00 0.00 H new ATOM 0 HB2 CYS A 11 -4.390 0.446 -2.068 1.00 0.00 H new ATOM 0 HB3 CYS A 11 -3.072 1.108 -1.121 1.00 0.00 H new ATOM 170 N LYS A 12 -4.528 0.648 1.164 1.00 0.00 N ATOM 171 CA LYS A 12 -5.522 1.226 2.051 1.00 0.00 C ATOM 172 C LYS A 12 -6.388 2.177 1.238 1.00 0.00 C ATOM 173 O LYS A 12 -5.889 2.818 0.317 1.00 0.00 O ATOM 174 CB LYS A 12 -4.826 1.954 3.203 1.00 0.00 C ATOM 175 CG LYS A 12 -5.757 2.549 4.246 1.00 0.00 C ATOM 176 CD LYS A 12 -4.961 3.254 5.334 1.00 0.00 C ATOM 177 CE LYS A 12 -5.860 3.873 6.389 1.00 0.00 C ATOM 178 NZ LYS A 12 -5.072 4.577 7.440 1.00 0.00 N ATOM 0 H LYS A 12 -3.616 1.104 1.199 1.00 0.00 H new ATOM 0 HA LYS A 12 -6.152 0.449 2.484 1.00 0.00 H new ATOM 0 HB2 LYS A 12 -4.150 1.256 3.698 1.00 0.00 H new ATOM 0 HB3 LYS A 12 -4.212 2.753 2.789 1.00 0.00 H new ATOM 0 HG2 LYS A 12 -6.439 3.255 3.772 1.00 0.00 H new ATOM 0 HG3 LYS A 12 -6.368 1.762 4.687 1.00 0.00 H new ATOM 0 HD2 LYS A 12 -4.285 2.542 5.807 1.00 0.00 H new ATOM 0 HD3 LYS A 12 -4.342 4.031 4.884 1.00 0.00 H new ATOM 0 HE2 LYS A 12 -6.546 4.576 5.916 1.00 0.00 H new ATOM 0 HE3 LYS A 12 -6.469 3.095 6.850 1.00 0.00 H new ATOM 0 HZ1 LYS A 12 -5.719 4.987 8.143 1.00 0.00 H new ATOM 0 HZ2 LYS A 12 -4.436 3.901 7.908 1.00 0.00 H new ATOM 0 HZ3 LYS A 12 -4.510 5.335 7.003 1.00 0.00 H new ATOM 192 N ARG A 13 -7.677 2.254 1.551 1.00 0.00 N ATOM 193 CA ARG A 13 -8.583 3.129 0.811 1.00 0.00 C ATOM 194 C ARG A 13 -8.068 4.567 0.831 1.00 0.00 C ATOM 195 O ARG A 13 -8.138 5.247 1.860 1.00 0.00 O ATOM 196 CB ARG A 13 -9.996 3.061 1.402 1.00 0.00 C ATOM 197 CG ARG A 13 -11.013 3.919 0.660 1.00 0.00 C ATOM 198 CD ARG A 13 -12.399 3.817 1.285 1.00 0.00 C ATOM 199 NE ARG A 13 -12.967 2.469 1.172 1.00 0.00 N ATOM 200 CZ ARG A 13 -13.423 1.934 0.034 1.00 0.00 C ATOM 201 NH1 ARG A 13 -13.439 2.649 -1.088 1.00 0.00 N ATOM 202 NH2 ARG A 13 -13.886 0.687 0.025 1.00 0.00 N ATOM 0 H ARG A 13 -8.117 1.727 2.305 1.00 0.00 H new ATOM 0 HA ARG A 13 -8.624 2.788 -0.224 1.00 0.00 H new ATOM 0 HB2 ARG A 13 -10.334 2.025 1.394 1.00 0.00 H new ATOM 0 HB3 ARG A 13 -9.960 3.377 2.445 1.00 0.00 H new ATOM 0 HG2 ARG A 13 -10.686 4.959 0.667 1.00 0.00 H new ATOM 0 HG3 ARG A 13 -11.060 3.607 -0.383 1.00 0.00 H new ATOM 0 HD2 ARG A 13 -12.341 4.097 2.337 1.00 0.00 H new ATOM 0 HD3 ARG A 13 -13.066 4.531 0.801 1.00 0.00 H new ATOM 0 HE ARG A 13 -13.018 1.902 2.018 1.00 0.00 H new ATOM 0 HH11 ARG A 13 -13.102 3.612 -1.084 1.00 0.00 H new ATOM 0 HH12 ARG A 13 -13.788 2.234 -1.952 1.00 0.00 H new ATOM 0 HH21 ARG A 13 -13.893 0.139 0.886 1.00 0.00 H new ATOM 0 HH22 ARG A 13 -14.234 0.278 -0.842 1.00 0.00 H new ATOM 216 N GLY A 14 -7.534 5.009 -0.302 1.00 0.00 N ATOM 217 CA GLY A 14 -6.995 6.350 -0.402 1.00 0.00 C ATOM 218 C GLY A 14 -5.515 6.360 -0.745 1.00 0.00 C ATOM 219 O GLY A 14 -4.969 7.396 -1.127 1.00 0.00 O ATOM 0 H GLY A 14 -7.465 4.458 -1.157 1.00 0.00 H new ATOM 0 HA2 GLY A 14 -7.545 6.903 -1.164 1.00 0.00 H new ATOM 0 HA3 GLY A 14 -7.149 6.871 0.543 1.00 0.00 H new ATOM 223 N ASP A 15 -4.861 5.209 -0.599 1.00 0.00 N ATOM 224 CA ASP A 15 -3.437 5.095 -0.894 1.00 0.00 C ATOM 225 C ASP A 15 -3.219 4.958 -2.392 1.00 0.00 C ATOM 226 O ASP A 15 -4.168 4.971 -3.177 1.00 0.00 O ATOM 227 CB ASP A 15 -2.822 3.886 -0.178 1.00 0.00 C ATOM 228 CG ASP A 15 -2.777 4.034 1.332 1.00 0.00 C ATOM 229 OD1 ASP A 15 -3.235 5.077 1.856 1.00 0.00 O ATOM 230 OD2 ASP A 15 -2.285 3.104 2.000 1.00 0.00 O ATOM 0 H ASP A 15 -5.296 4.344 -0.278 1.00 0.00 H new ATOM 0 HA ASP A 15 -2.948 6.001 -0.536 1.00 0.00 H new ATOM 0 HB2 ASP A 15 -3.395 2.994 -0.431 1.00 0.00 H new ATOM 0 HB3 ASP A 15 -1.809 3.730 -0.550 1.00 0.00 H new ATOM 235 N ARG A 16 -1.969 4.807 -2.787 1.00 0.00 N ATOM 236 CA ARG A 16 -1.637 4.649 -4.191 1.00 0.00 C ATOM 237 C ARG A 16 -0.803 3.394 -4.391 1.00 0.00 C ATOM 238 O ARG A 16 0.177 3.167 -3.679 1.00 0.00 O ATOM 239 CB ARG A 16 -0.901 5.883 -4.717 1.00 0.00 C ATOM 240 CG ARG A 16 -0.602 5.822 -6.208 1.00 0.00 C ATOM 241 CD ARG A 16 -0.291 7.201 -6.771 1.00 0.00 C ATOM 242 NE ARG A 16 -1.451 8.098 -6.703 1.00 0.00 N ATOM 243 CZ ARG A 16 -2.545 7.977 -7.464 1.00 0.00 C ATOM 244 NH1 ARG A 16 -2.604 7.046 -8.414 1.00 0.00 N ATOM 245 NH2 ARG A 16 -3.573 8.801 -7.285 1.00 0.00 N ATOM 0 H ARG A 16 -1.167 4.790 -2.157 1.00 0.00 H new ATOM 0 HA ARG A 16 -2.562 4.545 -4.759 1.00 0.00 H new ATOM 0 HB2 ARG A 16 -1.501 6.769 -4.511 1.00 0.00 H new ATOM 0 HB3 ARG A 16 0.035 5.998 -4.171 1.00 0.00 H new ATOM 0 HG2 ARG A 16 0.244 5.157 -6.384 1.00 0.00 H new ATOM 0 HG3 ARG A 16 -1.457 5.397 -6.735 1.00 0.00 H new ATOM 0 HD2 ARG A 16 0.539 7.640 -6.217 1.00 0.00 H new ATOM 0 HD3 ARG A 16 0.032 7.105 -7.807 1.00 0.00 H new ATOM 0 HE ARG A 16 -1.421 8.865 -6.031 1.00 0.00 H new ATOM 0 HH11 ARG A 16 -1.813 6.420 -8.565 1.00 0.00 H new ATOM 0 HH12 ARG A 16 -3.441 6.958 -8.991 1.00 0.00 H new ATOM 0 HH21 ARG A 16 -3.527 9.525 -6.568 1.00 0.00 H new ATOM 0 HH22 ARG A 16 -4.407 8.709 -7.865 1.00 0.00 H new ATOM 259 N VAL A 17 -1.218 2.578 -5.346 1.00 0.00 N ATOM 260 CA VAL A 17 -0.538 1.328 -5.644 1.00 0.00 C ATOM 261 C VAL A 17 0.797 1.573 -6.339 1.00 0.00 C ATOM 262 O VAL A 17 0.889 2.376 -7.268 1.00 0.00 O ATOM 263 CB VAL A 17 -1.402 0.422 -6.551 1.00 0.00 C ATOM 264 CG1 VAL A 17 -0.862 -1.001 -6.570 1.00 0.00 C ATOM 265 CG2 VAL A 17 -2.860 0.443 -6.116 1.00 0.00 C ATOM 0 H VAL A 17 -2.031 2.762 -5.934 1.00 0.00 H new ATOM 0 HA VAL A 17 -0.366 0.832 -4.689 1.00 0.00 H new ATOM 0 HB VAL A 17 -1.349 0.817 -7.565 1.00 0.00 H new ATOM 0 HG11 VAL A 17 -1.487 -1.619 -7.215 1.00 0.00 H new ATOM 0 HG12 VAL A 17 0.160 -0.997 -6.950 1.00 0.00 H new ATOM 0 HG13 VAL A 17 -0.871 -1.407 -5.559 1.00 0.00 H new ATOM 0 HG21 VAL A 17 -3.445 -0.203 -6.771 1.00 0.00 H new ATOM 0 HG22 VAL A 17 -2.939 0.085 -5.089 1.00 0.00 H new ATOM 0 HG23 VAL A 17 -3.243 1.462 -6.175 1.00 0.00 H new ATOM 275 N ARG A 18 1.818 0.856 -5.898 1.00 0.00 N ATOM 276 CA ARG A 18 3.142 0.955 -6.489 1.00 0.00 C ATOM 277 C ARG A 18 3.402 -0.270 -7.341 1.00 0.00 C ATOM 278 O ARG A 18 3.911 -0.177 -8.455 1.00 0.00 O ATOM 279 CB ARG A 18 4.221 1.075 -5.416 1.00 0.00 C ATOM 280 CG ARG A 18 4.295 2.442 -4.766 1.00 0.00 C ATOM 281 CD ARG A 18 4.722 3.507 -5.762 1.00 0.00 C ATOM 282 NE ARG A 18 5.098 4.755 -5.099 1.00 0.00 N ATOM 283 CZ ARG A 18 5.510 5.846 -5.745 1.00 0.00 C ATOM 284 NH1 ARG A 18 5.578 5.849 -7.074 1.00 0.00 N ATOM 285 NH2 ARG A 18 5.856 6.933 -5.062 1.00 0.00 N ATOM 0 H ARG A 18 1.753 0.193 -5.125 1.00 0.00 H new ATOM 0 HA ARG A 18 3.179 1.854 -7.105 1.00 0.00 H new ATOM 0 HB2 ARG A 18 4.037 0.327 -4.645 1.00 0.00 H new ATOM 0 HB3 ARG A 18 5.189 0.843 -5.861 1.00 0.00 H new ATOM 0 HG2 ARG A 18 3.322 2.701 -4.349 1.00 0.00 H new ATOM 0 HG3 ARG A 18 5.001 2.414 -3.936 1.00 0.00 H new ATOM 0 HD2 ARG A 18 5.564 3.139 -6.348 1.00 0.00 H new ATOM 0 HD3 ARG A 18 3.907 3.698 -6.460 1.00 0.00 H new ATOM 0 HE ARG A 18 5.042 4.793 -4.081 1.00 0.00 H new ATOM 0 HH11 ARG A 18 5.315 5.016 -7.600 1.00 0.00 H new ATOM 0 HH12 ARG A 18 5.893 6.685 -7.567 1.00 0.00 H new ATOM 0 HH21 ARG A 18 5.806 6.932 -4.043 1.00 0.00 H new ATOM 0 HH22 ARG A 18 6.171 7.767 -5.557 1.00 0.00 H new ATOM 299 N GLY A 19 3.041 -1.416 -6.795 1.00 0.00 N ATOM 300 CA GLY A 19 3.225 -2.666 -7.500 1.00 0.00 C ATOM 301 C GLY A 19 3.030 -3.859 -6.596 1.00 0.00 C ATOM 302 O GLY A 19 2.320 -3.775 -5.595 1.00 0.00 O ATOM 0 H GLY A 19 2.621 -1.505 -5.870 1.00 0.00 H new ATOM 0 HA2 GLY A 19 2.521 -2.721 -8.330 1.00 0.00 H new ATOM 0 HA3 GLY A 19 4.226 -2.696 -7.929 1.00 0.00 H new ATOM 306 N THR A 20 3.663 -4.963 -6.939 1.00 0.00 N ATOM 307 CA THR A 20 3.567 -6.177 -6.148 1.00 0.00 C ATOM 308 C THR A 20 4.706 -6.258 -5.141 1.00 0.00 C ATOM 309 O THR A 20 5.776 -5.693 -5.356 1.00 0.00 O ATOM 310 CB THR A 20 3.576 -7.423 -7.049 1.00 0.00 C ATOM 311 OG1 THR A 20 4.567 -7.271 -8.073 1.00 0.00 O ATOM 312 CG2 THR A 20 2.209 -7.645 -7.680 1.00 0.00 C ATOM 0 H THR A 20 4.254 -5.046 -7.766 1.00 0.00 H new ATOM 0 HA THR A 20 2.621 -6.145 -5.607 1.00 0.00 H new ATOM 0 HB THR A 20 3.816 -8.292 -6.436 1.00 0.00 H new ATOM 0 HG1 THR A 20 4.572 -8.067 -8.644 1.00 0.00 H new ATOM 0 HG21 THR A 20 2.240 -8.532 -8.313 1.00 0.00 H new ATOM 0 HG22 THR A 20 1.465 -7.785 -6.896 1.00 0.00 H new ATOM 0 HG23 THR A 20 1.942 -6.778 -8.284 1.00 0.00 H new ATOM 320 N CYS A 21 4.467 -6.950 -4.040 1.00 0.00 N ATOM 321 CA CYS A 21 5.470 -7.091 -2.998 1.00 0.00 C ATOM 322 C CYS A 21 5.869 -8.550 -2.828 1.00 0.00 C ATOM 323 O CYS A 21 7.051 -8.884 -2.801 1.00 0.00 O ATOM 324 CB CYS A 21 4.921 -6.541 -1.688 1.00 0.00 C ATOM 325 SG CYS A 21 6.039 -6.708 -0.265 1.00 0.00 S ATOM 0 H CYS A 21 3.585 -7.424 -3.844 1.00 0.00 H new ATOM 0 HA CYS A 21 6.358 -6.528 -3.285 1.00 0.00 H new ATOM 0 HB2 CYS A 21 4.684 -5.486 -1.824 1.00 0.00 H new ATOM 0 HB3 CYS A 21 3.985 -7.051 -1.459 1.00 0.00 H new ATOM 330 N GLY A 22 4.875 -9.418 -2.720 1.00 0.00 N ATOM 331 CA GLY A 22 5.148 -10.830 -2.556 1.00 0.00 C ATOM 332 C GLY A 22 3.910 -11.682 -2.711 1.00 0.00 C ATOM 333 O GLY A 22 2.964 -11.292 -3.402 1.00 0.00 O ATOM 0 H GLY A 22 3.886 -9.171 -2.743 1.00 0.00 H new ATOM 0 HA2 GLY A 22 5.892 -11.140 -3.289 1.00 0.00 H new ATOM 0 HA3 GLY A 22 5.581 -11.001 -1.570 1.00 0.00 H new ATOM 337 N ILE A 23 3.921 -12.845 -2.067 1.00 0.00 N ATOM 338 CA ILE A 23 2.804 -13.785 -2.121 1.00 0.00 C ATOM 339 C ILE A 23 1.521 -13.179 -1.554 1.00 0.00 C ATOM 340 O ILE A 23 1.234 -13.292 -0.366 1.00 0.00 O ATOM 341 CB ILE A 23 3.134 -15.102 -1.381 1.00 0.00 C ATOM 342 CG1 ILE A 23 3.782 -14.820 -0.019 1.00 0.00 C ATOM 343 CG2 ILE A 23 4.044 -15.970 -2.240 1.00 0.00 C ATOM 344 CD1 ILE A 23 4.059 -16.066 0.796 1.00 0.00 C ATOM 0 H ILE A 23 4.702 -13.163 -1.494 1.00 0.00 H new ATOM 0 HA ILE A 23 2.640 -14.009 -3.175 1.00 0.00 H new ATOM 0 HB ILE A 23 2.203 -15.640 -1.202 1.00 0.00 H new ATOM 0 HG12 ILE A 23 4.718 -14.285 -0.177 1.00 0.00 H new ATOM 0 HG13 ILE A 23 3.130 -14.160 0.553 1.00 0.00 H new ATOM 0 HG21 ILE A 23 4.271 -16.895 -1.710 1.00 0.00 H new ATOM 0 HG22 ILE A 23 3.543 -16.203 -3.180 1.00 0.00 H new ATOM 0 HG23 ILE A 23 4.970 -15.434 -2.446 1.00 0.00 H new ATOM 0 HD11 ILE A 23 4.517 -15.786 1.745 1.00 0.00 H new ATOM 0 HD12 ILE A 23 3.123 -16.592 0.986 1.00 0.00 H new ATOM 0 HD13 ILE A 23 4.736 -16.718 0.245 1.00 0.00 H new ATOM 356 N ARG A 24 0.769 -12.527 -2.439 1.00 0.00 N ATOM 357 CA ARG A 24 -0.489 -11.864 -2.097 1.00 0.00 C ATOM 358 C ARG A 24 -0.229 -10.559 -1.348 1.00 0.00 C ATOM 359 O ARG A 24 -1.096 -10.066 -0.625 1.00 0.00 O ATOM 360 CB ARG A 24 -1.422 -12.771 -1.274 1.00 0.00 C ATOM 361 CG ARG A 24 -2.263 -13.747 -2.094 1.00 0.00 C ATOM 362 CD ARG A 24 -1.426 -14.833 -2.760 1.00 0.00 C ATOM 363 NE ARG A 24 -0.919 -14.427 -4.073 1.00 0.00 N ATOM 364 CZ ARG A 24 -0.139 -15.191 -4.842 1.00 0.00 C ATOM 365 NH1 ARG A 24 0.243 -16.392 -4.417 1.00 0.00 N ATOM 366 NH2 ARG A 24 0.257 -14.754 -6.034 1.00 0.00 N ATOM 0 H ARG A 24 1.018 -12.443 -3.424 1.00 0.00 H new ATOM 0 HA ARG A 24 -0.993 -11.641 -3.037 1.00 0.00 H new ATOM 0 HB2 ARG A 24 -0.819 -13.340 -0.566 1.00 0.00 H new ATOM 0 HB3 ARG A 24 -2.092 -12.141 -0.688 1.00 0.00 H new ATOM 0 HG2 ARG A 24 -3.005 -14.213 -1.446 1.00 0.00 H new ATOM 0 HG3 ARG A 24 -2.809 -13.195 -2.859 1.00 0.00 H new ATOM 0 HD2 ARG A 24 -0.586 -15.088 -2.113 1.00 0.00 H new ATOM 0 HD3 ARG A 24 -2.028 -15.735 -2.870 1.00 0.00 H new ATOM 0 HE ARG A 24 -1.178 -13.504 -4.421 1.00 0.00 H new ATOM 0 HH11 ARG A 24 -0.060 -16.730 -3.503 1.00 0.00 H new ATOM 0 HH12 ARG A 24 0.839 -16.975 -5.005 1.00 0.00 H new ATOM 0 HH21 ARG A 24 -0.035 -13.834 -6.363 1.00 0.00 H new ATOM 0 HH22 ARG A 24 0.853 -15.339 -6.620 1.00 0.00 H new ATOM 380 N PHE A 25 0.950 -9.979 -1.562 1.00 0.00 N ATOM 381 CA PHE A 25 1.297 -8.707 -0.941 1.00 0.00 C ATOM 382 C PHE A 25 1.545 -7.688 -2.028 1.00 0.00 C ATOM 383 O PHE A 25 2.178 -7.999 -3.039 1.00 0.00 O ATOM 384 CB PHE A 25 2.549 -8.788 -0.054 1.00 0.00 C ATOM 385 CG PHE A 25 2.395 -9.577 1.219 1.00 0.00 C ATOM 386 CD1 PHE A 25 2.053 -10.918 1.197 1.00 0.00 C ATOM 387 CD2 PHE A 25 2.614 -8.970 2.445 1.00 0.00 C ATOM 388 CE1 PHE A 25 1.926 -11.637 2.371 1.00 0.00 C ATOM 389 CE2 PHE A 25 2.493 -9.682 3.622 1.00 0.00 C ATOM 390 CZ PHE A 25 2.147 -11.017 3.585 1.00 0.00 C ATOM 0 H PHE A 25 1.678 -10.370 -2.160 1.00 0.00 H new ATOM 0 HA PHE A 25 0.462 -8.424 -0.300 1.00 0.00 H new ATOM 0 HB2 PHE A 25 3.358 -9.228 -0.637 1.00 0.00 H new ATOM 0 HB3 PHE A 25 2.856 -7.774 0.203 1.00 0.00 H new ATOM 0 HD1 PHE A 25 1.883 -11.409 0.250 1.00 0.00 H new ATOM 0 HD2 PHE A 25 2.883 -7.925 2.481 1.00 0.00 H new ATOM 0 HE1 PHE A 25 1.654 -12.682 2.339 1.00 0.00 H new ATOM 0 HE2 PHE A 25 2.669 -9.195 4.570 1.00 0.00 H new ATOM 0 HZ PHE A 25 2.049 -11.576 4.504 1.00 0.00 H new ATOM 400 N LEU A 26 1.063 -6.484 -1.822 1.00 0.00 N ATOM 401 CA LEU A 26 1.251 -5.423 -2.788 1.00 0.00 C ATOM 402 C LEU A 26 1.958 -4.252 -2.140 1.00 0.00 C ATOM 403 O LEU A 26 1.786 -3.985 -0.948 1.00 0.00 O ATOM 404 CB LEU A 26 -0.076 -4.959 -3.396 1.00 0.00 C ATOM 405 CG LEU A 26 -0.774 -5.970 -4.312 1.00 0.00 C ATOM 406 CD1 LEU A 26 -1.580 -6.977 -3.506 1.00 0.00 C ATOM 407 CD2 LEU A 26 -1.662 -5.250 -5.314 1.00 0.00 C ATOM 0 H LEU A 26 0.536 -6.213 -0.992 1.00 0.00 H new ATOM 0 HA LEU A 26 1.864 -5.821 -3.597 1.00 0.00 H new ATOM 0 HB2 LEU A 26 -0.756 -4.701 -2.584 1.00 0.00 H new ATOM 0 HB3 LEU A 26 0.104 -4.046 -3.963 1.00 0.00 H new ATOM 0 HG LEU A 26 -0.007 -6.519 -4.858 1.00 0.00 H new ATOM 0 HD11 LEU A 26 -2.064 -7.681 -4.183 1.00 0.00 H new ATOM 0 HD12 LEU A 26 -0.916 -7.519 -2.832 1.00 0.00 H new ATOM 0 HD13 LEU A 26 -2.339 -6.454 -2.924 1.00 0.00 H new ATOM 0 HD21 LEU A 26 -2.151 -5.981 -5.958 1.00 0.00 H new ATOM 0 HD22 LEU A 26 -2.418 -4.672 -4.781 1.00 0.00 H new ATOM 0 HD23 LEU A 26 -1.055 -4.580 -5.922 1.00 0.00 H new ATOM 419 N TYR A 27 2.747 -3.560 -2.932 1.00 0.00 N ATOM 420 CA TYR A 27 3.478 -2.403 -2.456 1.00 0.00 C ATOM 421 C TYR A 27 2.657 -1.154 -2.736 1.00 0.00 C ATOM 422 O TYR A 27 2.279 -0.903 -3.886 1.00 0.00 O ATOM 423 CB TYR A 27 4.843 -2.318 -3.143 1.00 0.00 C ATOM 424 CG TYR A 27 5.802 -1.352 -2.484 1.00 0.00 C ATOM 425 CD1 TYR A 27 5.967 -1.338 -1.104 1.00 0.00 C ATOM 426 CD2 TYR A 27 6.548 -0.459 -3.242 1.00 0.00 C ATOM 427 CE1 TYR A 27 6.847 -0.461 -0.500 1.00 0.00 C ATOM 428 CE2 TYR A 27 7.432 0.420 -2.645 1.00 0.00 C ATOM 429 CZ TYR A 27 7.576 0.415 -1.275 1.00 0.00 C ATOM 430 OH TYR A 27 8.454 1.288 -0.677 1.00 0.00 O ATOM 0 H TYR A 27 2.900 -3.780 -3.916 1.00 0.00 H new ATOM 0 HA TYR A 27 3.648 -2.490 -1.383 1.00 0.00 H new ATOM 0 HB2 TYR A 27 5.294 -3.310 -3.157 1.00 0.00 H new ATOM 0 HB3 TYR A 27 4.698 -2.019 -4.181 1.00 0.00 H new ATOM 0 HD1 TYR A 27 5.398 -2.024 -0.494 1.00 0.00 H new ATOM 0 HD2 TYR A 27 6.436 -0.451 -4.316 1.00 0.00 H new ATOM 0 HE1 TYR A 27 6.963 -0.462 0.574 1.00 0.00 H new ATOM 0 HE2 TYR A 27 8.006 1.107 -3.249 1.00 0.00 H new ATOM 0 HH TYR A 27 8.889 1.836 -1.363 1.00 0.00 H new ATOM 440 N CYS A 28 2.367 -0.390 -1.691 1.00 0.00 N ATOM 441 CA CYS A 28 1.569 0.821 -1.830 1.00 0.00 C ATOM 442 C CYS A 28 2.197 1.978 -1.070 1.00 0.00 C ATOM 443 O CYS A 28 3.123 1.790 -0.280 1.00 0.00 O ATOM 444 CB CYS A 28 0.154 0.595 -1.298 1.00 0.00 C ATOM 445 SG CYS A 28 -0.633 -0.952 -1.853 1.00 0.00 S ATOM 0 H CYS A 28 2.672 -0.587 -0.738 1.00 0.00 H new ATOM 0 HA CYS A 28 1.529 1.066 -2.891 1.00 0.00 H new ATOM 0 HB2 CYS A 28 0.186 0.600 -0.208 1.00 0.00 H new ATOM 0 HB3 CYS A 28 -0.472 1.434 -1.602 1.00 0.00 H new ATOM 450 N CYS A 29 1.674 3.171 -1.309 1.00 0.00 N ATOM 451 CA CYS A 29 2.159 4.375 -0.648 1.00 0.00 C ATOM 452 C CYS A 29 1.000 5.331 -0.365 1.00 0.00 C ATOM 453 O CYS A 29 0.312 5.769 -1.290 1.00 0.00 O ATOM 454 CB CYS A 29 3.200 5.092 -1.519 1.00 0.00 C ATOM 455 SG CYS A 29 4.631 4.071 -2.009 1.00 0.00 S ATOM 0 H CYS A 29 0.907 3.333 -1.962 1.00 0.00 H new ATOM 0 HA CYS A 29 2.623 4.076 0.292 1.00 0.00 H new ATOM 0 HB2 CYS A 29 2.708 5.457 -2.420 1.00 0.00 H new ATOM 0 HB3 CYS A 29 3.564 5.966 -0.978 1.00 0.00 H new ATOM 460 N PRO A 30 0.765 5.664 0.914 1.00 0.00 N ATOM 461 CA PRO A 30 -0.307 6.573 1.316 1.00 0.00 C ATOM 462 C PRO A 30 0.016 8.027 0.977 1.00 0.00 C ATOM 463 O PRO A 30 1.110 8.516 1.265 1.00 0.00 O ATOM 464 CB PRO A 30 -0.396 6.404 2.842 1.00 0.00 C ATOM 465 CG PRO A 30 0.507 5.264 3.181 1.00 0.00 C ATOM 466 CD PRO A 30 1.516 5.180 2.075 1.00 0.00 C ATOM 0 HA PRO A 30 -1.237 6.342 0.797 1.00 0.00 H new ATOM 0 HB2 PRO A 30 -0.085 7.314 3.355 1.00 0.00 H new ATOM 0 HB3 PRO A 30 -1.420 6.197 3.153 1.00 0.00 H new ATOM 0 HG2 PRO A 30 0.996 5.428 4.141 1.00 0.00 H new ATOM 0 HG3 PRO A 30 -0.056 4.334 3.265 1.00 0.00 H new ATOM 0 HD2 PRO A 30 2.391 5.798 2.277 1.00 0.00 H new ATOM 0 HD3 PRO A 30 1.873 4.160 1.930 1.00 0.00 H new ATOM 474 N ARG A 31 -0.939 8.713 0.367 1.00 0.00 N ATOM 475 CA ARG A 31 -0.758 10.111 -0.001 1.00 0.00 C ATOM 476 C ARG A 31 -1.157 11.017 1.160 1.00 0.00 C ATOM 477 O ARG A 31 -0.691 12.156 1.269 1.00 0.00 O ATOM 478 CB ARG A 31 -1.579 10.446 -1.249 1.00 0.00 C ATOM 479 CG ARG A 31 -1.402 11.877 -1.742 1.00 0.00 C ATOM 480 CD ARG A 31 0.066 12.223 -1.950 1.00 0.00 C ATOM 481 NE ARG A 31 0.245 13.591 -2.444 1.00 0.00 N ATOM 482 CZ ARG A 31 1.436 14.170 -2.616 1.00 0.00 C ATOM 483 NH1 ARG A 31 2.547 13.523 -2.279 1.00 0.00 N ATOM 484 NH2 ARG A 31 1.512 15.404 -3.109 1.00 0.00 N ATOM 0 H ARG A 31 -1.848 8.325 0.116 1.00 0.00 H new ATOM 0 HA ARG A 31 0.295 10.279 -0.227 1.00 0.00 H new ATOM 0 HB2 ARG A 31 -1.301 9.760 -2.049 1.00 0.00 H new ATOM 0 HB3 ARG A 31 -2.634 10.274 -1.034 1.00 0.00 H new ATOM 0 HG2 ARG A 31 -1.943 12.009 -2.679 1.00 0.00 H new ATOM 0 HG3 ARG A 31 -1.840 12.567 -1.021 1.00 0.00 H new ATOM 0 HD2 ARG A 31 0.603 12.105 -1.009 1.00 0.00 H new ATOM 0 HD3 ARG A 31 0.507 11.522 -2.659 1.00 0.00 H new ATOM 0 HE ARG A 31 -0.589 14.133 -2.670 1.00 0.00 H new ATOM 0 HH11 ARG A 31 2.491 12.582 -1.888 1.00 0.00 H new ATOM 0 HH12 ARG A 31 3.456 13.967 -2.411 1.00 0.00 H new ATOM 0 HH21 ARG A 31 0.660 15.908 -3.356 1.00 0.00 H new ATOM 0 HH22 ARG A 31 2.422 15.846 -3.240 1.00 0.00 H new ATOM 498 N ARG A 32 -2.025 10.492 2.016 1.00 0.00 N ATOM 499 CA ARG A 32 -2.513 11.222 3.182 1.00 0.00 C ATOM 500 C ARG A 32 -1.361 11.598 4.100 1.00 0.00 C ATOM 501 O ARG A 32 -1.415 12.682 4.707 1.00 0.00 O ATOM 502 CB ARG A 32 -3.549 10.394 3.955 1.00 0.00 C ATOM 503 CG ARG A 32 -4.924 10.354 3.303 1.00 0.00 C ATOM 504 CD ARG A 32 -4.908 9.598 1.982 1.00 0.00 C ATOM 505 NE ARG A 32 -4.753 8.152 2.164 1.00 0.00 N ATOM 506 CZ ARG A 32 -5.730 7.338 2.561 1.00 0.00 C ATOM 507 NH1 ARG A 32 -6.939 7.819 2.836 1.00 0.00 N ATOM 508 NH2 ARG A 32 -5.501 6.037 2.666 1.00 0.00 N ATOM 509 OXT ARG A 32 -0.375 10.834 4.161 1.00 0.00 O ATOM 0 H ARG A 32 -2.410 9.552 1.923 1.00 0.00 H new ATOM 0 HA ARG A 32 -2.993 12.134 2.827 1.00 0.00 H new ATOM 0 HB2 ARG A 32 -3.178 9.374 4.060 1.00 0.00 H new ATOM 0 HB3 ARG A 32 -3.647 10.802 4.961 1.00 0.00 H new ATOM 0 HG2 ARG A 32 -5.634 9.882 3.982 1.00 0.00 H new ATOM 0 HG3 ARG A 32 -5.274 11.372 3.134 1.00 0.00 H new ATOM 0 HD2 ARG A 32 -5.834 9.796 1.443 1.00 0.00 H new ATOM 0 HD3 ARG A 32 -4.093 9.972 1.363 1.00 0.00 H new ATOM 0 HE ARG A 32 -3.838 7.743 1.975 1.00 0.00 H new ATOM 0 HH11 ARG A 32 -7.124 8.818 2.743 1.00 0.00 H new ATOM 0 HH12 ARG A 32 -7.682 7.189 3.139 1.00 0.00 H new ATOM 0 HH21 ARG A 32 -4.579 5.662 2.443 1.00 0.00 H new ATOM 0 HH22 ARG A 32 -6.247 5.411 2.970 1.00 0.00 H new TER 523 ARG A 32