USER MOD reduce.3.24.130724 H: found=0, std=0, add=264, rem=0, adj=7 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 Set 1.1: A 5 TYR OH : rot -66:sc= 2.18 USER MOD Set 1.2: A 12 LYS NZ :NH3+ -127:sc= 1.26 (180deg=-4.65!) USER MOD Single : A 1 GLY N :NH3+ 138:sc= 0.0605 (180deg=0) USER MOD Single : A 8 LYS NZ :NH3+ 170:sc= 0 (180deg=-0.11) USER MOD Single : A 10 HIS :FLIP no HD1:sc= -0.348 F(o=-1.4,f=-0.35) USER MOD Single : A 20 THR OG1 : rot 180:sc= 0 USER MOD Single : A 27 TYR OH : rot 180:sc= 0 USER MOD ----------------------------------------------------------------- ATOM 1 N GLY A 1 8.162 13.800 2.654 1.00 0.00 N ATOM 2 CA GLY A 1 8.810 12.558 3.143 1.00 0.00 C ATOM 3 C GLY A 1 8.103 11.331 2.618 1.00 0.00 C ATOM 4 O GLY A 1 6.902 11.378 2.368 1.00 0.00 O ATOM 0 H1 GLY A 1 8.106 14.491 3.429 1.00 0.00 H new ATOM 0 H2 GLY A 1 8.722 14.200 1.874 1.00 0.00 H new ATOM 0 H3 GLY A 1 7.203 13.581 2.316 1.00 0.00 H new ATOM 0 HA2 GLY A 1 9.854 12.542 2.830 1.00 0.00 H new ATOM 0 HA3 GLY A 1 8.804 12.546 4.233 1.00 0.00 H new ATOM 10 N LEU A 2 8.841 10.243 2.443 1.00 0.00 N ATOM 11 CA LEU A 2 8.270 9.005 1.946 1.00 0.00 C ATOM 12 C LEU A 2 7.556 8.268 3.067 1.00 0.00 C ATOM 13 O LEU A 2 7.957 8.343 4.227 1.00 0.00 O ATOM 14 CB LEU A 2 9.343 8.101 1.318 1.00 0.00 C ATOM 15 CG LEU A 2 10.440 7.589 2.265 1.00 0.00 C ATOM 16 CD1 LEU A 2 11.131 6.377 1.660 1.00 0.00 C ATOM 17 CD2 LEU A 2 11.464 8.678 2.558 1.00 0.00 C ATOM 0 H LEU A 2 9.841 10.196 2.640 1.00 0.00 H new ATOM 0 HA LEU A 2 7.550 9.260 1.168 1.00 0.00 H new ATOM 0 HB2 LEU A 2 8.846 7.239 0.872 1.00 0.00 H new ATOM 0 HB3 LEU A 2 9.820 8.650 0.506 1.00 0.00 H new ATOM 0 HG LEU A 2 9.968 7.302 3.205 1.00 0.00 H new ATOM 0 HD11 LEU A 2 11.906 6.023 2.340 1.00 0.00 H new ATOM 0 HD12 LEU A 2 10.400 5.584 1.499 1.00 0.00 H new ATOM 0 HD13 LEU A 2 11.583 6.654 0.707 1.00 0.00 H new ATOM 0 HD21 LEU A 2 12.228 8.288 3.230 1.00 0.00 H new ATOM 0 HD22 LEU A 2 11.930 8.999 1.627 1.00 0.00 H new ATOM 0 HD23 LEU A 2 10.968 9.527 3.027 1.00 0.00 H new ATOM 29 N LEU A 3 6.498 7.570 2.705 1.00 0.00 N ATOM 30 CA LEU A 3 5.704 6.813 3.665 1.00 0.00 C ATOM 31 C LEU A 3 5.046 5.623 2.974 1.00 0.00 C ATOM 32 O LEU A 3 3.864 5.338 3.158 1.00 0.00 O ATOM 33 CB LEU A 3 4.647 7.708 4.345 1.00 0.00 C ATOM 34 CG LEU A 3 3.540 8.281 3.442 1.00 0.00 C ATOM 35 CD1 LEU A 3 2.405 8.828 4.293 1.00 0.00 C ATOM 36 CD2 LEU A 3 4.077 9.378 2.532 1.00 0.00 C ATOM 0 H LEU A 3 6.162 7.509 1.744 1.00 0.00 H new ATOM 0 HA LEU A 3 6.369 6.442 4.445 1.00 0.00 H new ATOM 0 HB2 LEU A 3 4.173 7.131 5.139 1.00 0.00 H new ATOM 0 HB3 LEU A 3 5.163 8.542 4.821 1.00 0.00 H new ATOM 0 HG LEU A 3 3.168 7.471 2.814 1.00 0.00 H new ATOM 0 HD11 LEU A 3 1.626 9.231 3.645 1.00 0.00 H new ATOM 0 HD12 LEU A 3 1.990 8.027 4.904 1.00 0.00 H new ATOM 0 HD13 LEU A 3 2.784 9.619 4.940 1.00 0.00 H new ATOM 0 HD21 LEU A 3 3.269 9.761 1.908 1.00 0.00 H new ATOM 0 HD22 LEU A 3 4.482 10.188 3.139 1.00 0.00 H new ATOM 0 HD23 LEU A 3 4.864 8.971 1.897 1.00 0.00 H new ATOM 48 N CYS A 4 5.837 4.931 2.175 1.00 0.00 N ATOM 49 CA CYS A 4 5.366 3.766 1.441 1.00 0.00 C ATOM 50 C CYS A 4 5.541 2.498 2.268 1.00 0.00 C ATOM 51 O CYS A 4 6.452 2.409 3.092 1.00 0.00 O ATOM 52 CB CYS A 4 6.126 3.636 0.124 1.00 0.00 C ATOM 53 SG CYS A 4 5.876 5.027 -1.026 1.00 0.00 S ATOM 0 H CYS A 4 6.819 5.157 2.015 1.00 0.00 H new ATOM 0 HA CYS A 4 4.304 3.898 1.232 1.00 0.00 H new ATOM 0 HB2 CYS A 4 7.191 3.545 0.340 1.00 0.00 H new ATOM 0 HB3 CYS A 4 5.821 2.713 -0.369 1.00 0.00 H new ATOM 58 N TYR A 5 4.672 1.519 2.044 1.00 0.00 N ATOM 59 CA TYR A 5 4.732 0.264 2.767 1.00 0.00 C ATOM 60 C TYR A 5 4.001 -0.822 1.990 1.00 0.00 C ATOM 61 O TYR A 5 3.187 -0.535 1.108 1.00 0.00 O ATOM 62 CB TYR A 5 4.133 0.417 4.174 1.00 0.00 C ATOM 63 CG TYR A 5 2.673 0.832 4.196 1.00 0.00 C ATOM 64 CD1 TYR A 5 1.662 -0.086 3.935 1.00 0.00 C ATOM 65 CD2 TYR A 5 2.310 2.141 4.486 1.00 0.00 C ATOM 66 CE1 TYR A 5 0.334 0.289 3.959 1.00 0.00 C ATOM 67 CE2 TYR A 5 0.983 2.523 4.511 1.00 0.00 C ATOM 68 CZ TYR A 5 0.000 1.594 4.246 1.00 0.00 C ATOM 69 OH TYR A 5 -1.322 1.971 4.261 1.00 0.00 O ATOM 0 H TYR A 5 3.915 1.576 1.363 1.00 0.00 H new ATOM 0 HA TYR A 5 5.777 -0.025 2.874 1.00 0.00 H new ATOM 0 HB2 TYR A 5 4.236 -0.530 4.704 1.00 0.00 H new ATOM 0 HB3 TYR A 5 4.716 1.155 4.725 1.00 0.00 H new ATOM 0 HD1 TYR A 5 1.920 -1.110 3.710 1.00 0.00 H new ATOM 0 HD2 TYR A 5 3.077 2.872 4.695 1.00 0.00 H new ATOM 0 HE1 TYR A 5 -0.439 -0.437 3.754 1.00 0.00 H new ATOM 0 HE2 TYR A 5 0.717 3.545 4.737 1.00 0.00 H new ATOM 0 HH TYR A 5 -1.694 1.897 3.357 1.00 0.00 H new ATOM 79 N CYS A 6 4.295 -2.060 2.323 1.00 0.00 N ATOM 80 CA CYS A 6 3.668 -3.200 1.675 1.00 0.00 C ATOM 81 C CYS A 6 2.404 -3.597 2.431 1.00 0.00 C ATOM 82 O CYS A 6 2.307 -3.376 3.639 1.00 0.00 O ATOM 83 CB CYS A 6 4.634 -4.379 1.606 1.00 0.00 C ATOM 84 SG CYS A 6 4.038 -5.737 0.557 1.00 0.00 S ATOM 0 H CYS A 6 4.971 -2.308 3.046 1.00 0.00 H new ATOM 0 HA CYS A 6 3.400 -2.918 0.657 1.00 0.00 H new ATOM 0 HB2 CYS A 6 5.595 -4.031 1.226 1.00 0.00 H new ATOM 0 HB3 CYS A 6 4.807 -4.757 2.614 1.00 0.00 H new ATOM 89 N ARG A 7 1.435 -4.172 1.729 1.00 0.00 N ATOM 90 CA ARG A 7 0.188 -4.580 2.359 1.00 0.00 C ATOM 91 C ARG A 7 -0.427 -5.758 1.617 1.00 0.00 C ATOM 92 O ARG A 7 -0.537 -5.745 0.392 1.00 0.00 O ATOM 93 CB ARG A 7 -0.792 -3.402 2.405 1.00 0.00 C ATOM 94 CG ARG A 7 -2.033 -3.662 3.245 1.00 0.00 C ATOM 95 CD ARG A 7 -2.854 -2.393 3.428 1.00 0.00 C ATOM 96 NE ARG A 7 -4.009 -2.592 4.310 1.00 0.00 N ATOM 97 CZ ARG A 7 -5.133 -3.224 3.956 1.00 0.00 C ATOM 98 NH1 ARG A 7 -5.288 -3.679 2.717 1.00 0.00 N ATOM 99 NH2 ARG A 7 -6.111 -3.387 4.842 1.00 0.00 N ATOM 0 H ARG A 7 1.489 -4.365 0.729 1.00 0.00 H new ATOM 0 HA ARG A 7 0.402 -4.895 3.380 1.00 0.00 H new ATOM 0 HB2 ARG A 7 -0.275 -2.528 2.800 1.00 0.00 H new ATOM 0 HB3 ARG A 7 -1.099 -3.158 1.388 1.00 0.00 H new ATOM 0 HG2 ARG A 7 -2.644 -4.427 2.767 1.00 0.00 H new ATOM 0 HG3 ARG A 7 -1.740 -4.051 4.220 1.00 0.00 H new ATOM 0 HD2 ARG A 7 -2.218 -1.609 3.839 1.00 0.00 H new ATOM 0 HD3 ARG A 7 -3.200 -2.045 2.455 1.00 0.00 H new ATOM 0 HE ARG A 7 -3.951 -2.223 5.259 1.00 0.00 H new ATOM 0 HH11 ARG A 7 -4.547 -3.547 2.029 1.00 0.00 H new ATOM 0 HH12 ARG A 7 -6.148 -4.160 2.454 1.00 0.00 H new ATOM 0 HH21 ARG A 7 -6.004 -3.030 5.791 1.00 0.00 H new ATOM 0 HH22 ARG A 7 -6.968 -3.869 4.572 1.00 0.00 H new ATOM 113 N LYS A 8 -0.818 -6.777 2.367 1.00 0.00 N ATOM 114 CA LYS A 8 -1.416 -7.967 1.783 1.00 0.00 C ATOM 115 C LYS A 8 -2.863 -7.712 1.369 1.00 0.00 C ATOM 116 O LYS A 8 -3.613 -7.020 2.065 1.00 0.00 O ATOM 117 CB LYS A 8 -1.340 -9.149 2.756 1.00 0.00 C ATOM 118 CG LYS A 8 -2.052 -8.920 4.082 1.00 0.00 C ATOM 119 CD LYS A 8 -1.878 -10.111 5.012 1.00 0.00 C ATOM 120 CE LYS A 8 -2.618 -9.915 6.327 1.00 0.00 C ATOM 121 NZ LYS A 8 -4.095 -9.874 6.137 1.00 0.00 N ATOM 0 H LYS A 8 -0.732 -6.803 3.383 1.00 0.00 H new ATOM 0 HA LYS A 8 -0.846 -8.218 0.888 1.00 0.00 H new ATOM 0 HB2 LYS A 8 -1.769 -10.028 2.275 1.00 0.00 H new ATOM 0 HB3 LYS A 8 -0.292 -9.373 2.954 1.00 0.00 H new ATOM 0 HG2 LYS A 8 -1.659 -8.022 4.559 1.00 0.00 H new ATOM 0 HG3 LYS A 8 -3.113 -8.747 3.903 1.00 0.00 H new ATOM 0 HD2 LYS A 8 -2.244 -11.012 4.520 1.00 0.00 H new ATOM 0 HD3 LYS A 8 -0.817 -10.264 5.211 1.00 0.00 H new ATOM 0 HE2 LYS A 8 -2.363 -10.725 7.010 1.00 0.00 H new ATOM 0 HE3 LYS A 8 -2.287 -8.988 6.794 1.00 0.00 H new ATOM 0 HZ1 LYS A 8 -4.565 -9.910 7.064 1.00 0.00 H new ATOM 0 HZ2 LYS A 8 -4.358 -8.994 5.649 1.00 0.00 H new ATOM 0 HZ3 LYS A 8 -4.394 -10.690 5.565 1.00 0.00 H new ATOM 135 N GLY A 9 -3.241 -8.277 0.235 1.00 0.00 N ATOM 136 CA GLY A 9 -4.587 -8.122 -0.276 1.00 0.00 C ATOM 137 C GLY A 9 -4.719 -6.961 -1.232 1.00 0.00 C ATOM 138 O GLY A 9 -5.093 -7.146 -2.390 1.00 0.00 O ATOM 0 H GLY A 9 -2.631 -8.849 -0.349 1.00 0.00 H new ATOM 0 HA2 GLY A 9 -4.887 -9.040 -0.782 1.00 0.00 H new ATOM 0 HA3 GLY A 9 -5.274 -7.980 0.559 1.00 0.00 H new ATOM 142 N HIS A 10 -4.405 -5.771 -0.745 1.00 0.00 N ATOM 143 CA HIS A 10 -4.475 -4.542 -1.536 1.00 0.00 C ATOM 144 C HIS A 10 -4.039 -3.355 -0.692 1.00 0.00 C ATOM 145 O HIS A 10 -3.767 -3.505 0.500 1.00 0.00 O ATOM 146 CB HIS A 10 -5.902 -4.292 -2.054 1.00 0.00 C ATOM 147 CG HIS A 10 -6.073 -4.539 -3.525 1.00 0.00 C ATOM 148 ND1 HIS A 10 -5.179 -4.900 -4.478 1.00 0.00 N flip ATOM 149 CD2 HIS A 10 -7.287 -4.417 -4.171 1.00 0.00 C flip ATOM 150 CE1 HIS A 10 -5.861 -4.988 -5.666 1.00 0.00 C flip ATOM 151 NE2 HIS A 10 -7.130 -4.692 -5.454 1.00 0.00 N flip ATOM 0 H HIS A 10 -4.092 -5.625 0.215 1.00 0.00 H new ATOM 0 HA HIS A 10 -3.808 -4.658 -2.390 1.00 0.00 H new ATOM 0 HB2 HIS A 10 -6.593 -4.933 -1.506 1.00 0.00 H new ATOM 0 HB3 HIS A 10 -6.181 -3.261 -1.835 1.00 0.00 H new ATOM 0 HD2 HIS A 10 -8.219 -4.140 -3.701 1.00 0.00 H new ATOM 0 HE1 HIS A 10 -5.430 -5.256 -6.619 1.00 0.00 H new ATOM 0 HE2 HIS A 10 -7.865 -4.678 -6.161 1.00 0.00 H new ATOM 160 N CYS A 11 -3.991 -2.181 -1.307 1.00 0.00 N ATOM 161 CA CYS A 11 -3.606 -0.958 -0.614 1.00 0.00 C ATOM 162 C CYS A 11 -4.686 -0.544 0.379 1.00 0.00 C ATOM 163 O CYS A 11 -5.804 -1.063 0.349 1.00 0.00 O ATOM 164 CB CYS A 11 -3.389 0.172 -1.621 1.00 0.00 C ATOM 165 SG CYS A 11 -2.317 -0.273 -3.028 1.00 0.00 S ATOM 0 H CYS A 11 -4.216 -2.049 -2.293 1.00 0.00 H new ATOM 0 HA CYS A 11 -2.678 -1.150 -0.075 1.00 0.00 H new ATOM 0 HB2 CYS A 11 -4.358 0.492 -2.004 1.00 0.00 H new ATOM 0 HB3 CYS A 11 -2.953 1.026 -1.103 1.00 0.00 H new ATOM 170 N LYS A 12 -4.357 0.405 1.241 1.00 0.00 N ATOM 171 CA LYS A 12 -5.309 0.907 2.219 1.00 0.00 C ATOM 172 C LYS A 12 -6.209 1.938 1.544 1.00 0.00 C ATOM 173 O LYS A 12 -5.803 2.556 0.563 1.00 0.00 O ATOM 174 CB LYS A 12 -4.572 1.526 3.413 1.00 0.00 C ATOM 175 CG LYS A 12 -5.485 1.980 4.541 1.00 0.00 C ATOM 176 CD LYS A 12 -4.718 2.667 5.668 1.00 0.00 C ATOM 177 CE LYS A 12 -4.258 4.072 5.282 1.00 0.00 C ATOM 178 NZ LYS A 12 -3.028 4.067 4.445 1.00 0.00 N ATOM 0 H LYS A 12 -3.437 0.843 1.283 1.00 0.00 H new ATOM 0 HA LYS A 12 -5.919 0.086 2.595 1.00 0.00 H new ATOM 0 HB2 LYS A 12 -3.863 0.797 3.805 1.00 0.00 H new ATOM 0 HB3 LYS A 12 -3.991 2.380 3.064 1.00 0.00 H new ATOM 0 HG2 LYS A 12 -6.235 2.665 4.145 1.00 0.00 H new ATOM 0 HG3 LYS A 12 -6.020 1.119 4.941 1.00 0.00 H new ATOM 0 HD2 LYS A 12 -5.351 2.725 6.553 1.00 0.00 H new ATOM 0 HD3 LYS A 12 -3.851 2.063 5.935 1.00 0.00 H new ATOM 0 HE2 LYS A 12 -5.059 4.575 4.740 1.00 0.00 H new ATOM 0 HE3 LYS A 12 -4.073 4.650 6.187 1.00 0.00 H new ATOM 0 HZ1 LYS A 12 -2.313 4.689 4.874 1.00 0.00 H new ATOM 0 HZ2 LYS A 12 -2.653 3.099 4.385 1.00 0.00 H new ATOM 0 HZ3 LYS A 12 -3.256 4.410 3.490 1.00 0.00 H new ATOM 192 N ARG A 13 -7.423 2.114 2.056 1.00 0.00 N ATOM 193 CA ARG A 13 -8.364 3.074 1.484 1.00 0.00 C ATOM 194 C ARG A 13 -7.766 4.482 1.508 1.00 0.00 C ATOM 195 O ARG A 13 -7.730 5.137 2.552 1.00 0.00 O ATOM 196 CB ARG A 13 -9.685 3.040 2.260 1.00 0.00 C ATOM 197 CG ARG A 13 -10.786 3.894 1.646 1.00 0.00 C ATOM 198 CD ARG A 13 -12.077 3.790 2.444 1.00 0.00 C ATOM 199 NE ARG A 13 -13.174 4.534 1.823 1.00 0.00 N ATOM 200 CZ ARG A 13 -14.414 4.590 2.318 1.00 0.00 C ATOM 201 NH1 ARG A 13 -14.711 3.954 3.447 1.00 0.00 N ATOM 202 NH2 ARG A 13 -15.354 5.283 1.682 1.00 0.00 N ATOM 0 H ARG A 13 -7.779 1.605 2.865 1.00 0.00 H new ATOM 0 HA ARG A 13 -8.560 2.801 0.447 1.00 0.00 H new ATOM 0 HB2 ARG A 13 -10.032 2.008 2.322 1.00 0.00 H new ATOM 0 HB3 ARG A 13 -9.504 3.378 3.280 1.00 0.00 H new ATOM 0 HG2 ARG A 13 -10.463 4.934 1.607 1.00 0.00 H new ATOM 0 HG3 ARG A 13 -10.965 3.577 0.619 1.00 0.00 H new ATOM 0 HD2 ARG A 13 -12.360 2.742 2.539 1.00 0.00 H new ATOM 0 HD3 ARG A 13 -11.910 4.168 3.453 1.00 0.00 H new ATOM 0 HE ARG A 13 -12.980 5.041 0.959 1.00 0.00 H new ATOM 0 HH11 ARG A 13 -13.992 3.422 3.937 1.00 0.00 H new ATOM 0 HH12 ARG A 13 -15.658 3.998 3.823 1.00 0.00 H new ATOM 0 HH21 ARG A 13 -15.129 5.772 0.816 1.00 0.00 H new ATOM 0 HH22 ARG A 13 -16.300 5.325 2.060 1.00 0.00 H new ATOM 216 N GLY A 14 -7.276 4.924 0.357 1.00 0.00 N ATOM 217 CA GLY A 14 -6.660 6.231 0.259 1.00 0.00 C ATOM 218 C GLY A 14 -5.264 6.151 -0.328 1.00 0.00 C ATOM 219 O GLY A 14 -4.706 7.154 -0.776 1.00 0.00 O ATOM 0 H GLY A 14 -7.295 4.396 -0.515 1.00 0.00 H new ATOM 0 HA2 GLY A 14 -7.279 6.879 -0.361 1.00 0.00 H new ATOM 0 HA3 GLY A 14 -6.613 6.686 1.248 1.00 0.00 H new ATOM 223 N ASP A 15 -4.696 4.951 -0.315 1.00 0.00 N ATOM 224 CA ASP A 15 -3.358 4.725 -0.840 1.00 0.00 C ATOM 225 C ASP A 15 -3.403 4.500 -2.342 1.00 0.00 C ATOM 226 O ASP A 15 -4.475 4.416 -2.941 1.00 0.00 O ATOM 227 CB ASP A 15 -2.713 3.496 -0.186 1.00 0.00 C ATOM 228 CG ASP A 15 -2.616 3.580 1.324 1.00 0.00 C ATOM 229 OD1 ASP A 15 -3.007 4.610 1.911 1.00 0.00 O ATOM 230 OD2 ASP A 15 -2.154 2.599 1.938 1.00 0.00 O ATOM 0 H ASP A 15 -5.147 4.115 0.057 1.00 0.00 H new ATOM 0 HA ASP A 15 -2.767 5.613 -0.615 1.00 0.00 H new ATOM 0 HB2 ASP A 15 -3.289 2.610 -0.454 1.00 0.00 H new ATOM 0 HB3 ASP A 15 -1.712 3.362 -0.597 1.00 0.00 H new ATOM 235 N ARG A 16 -2.233 4.363 -2.934 1.00 0.00 N ATOM 236 CA ARG A 16 -2.117 4.103 -4.356 1.00 0.00 C ATOM 237 C ARG A 16 -1.069 3.018 -4.573 1.00 0.00 C ATOM 238 O ARG A 16 -0.006 3.030 -3.943 1.00 0.00 O ATOM 239 CB ARG A 16 -1.763 5.378 -5.136 1.00 0.00 C ATOM 240 CG ARG A 16 -0.357 5.897 -4.890 1.00 0.00 C ATOM 241 CD ARG A 16 -0.012 7.043 -5.833 1.00 0.00 C ATOM 242 NE ARG A 16 -0.275 6.712 -7.241 1.00 0.00 N ATOM 243 CZ ARG A 16 0.322 5.721 -7.917 1.00 0.00 C ATOM 244 NH1 ARG A 16 1.254 4.974 -7.336 1.00 0.00 N ATOM 245 NH2 ARG A 16 -0.012 5.485 -9.182 1.00 0.00 N ATOM 0 H ARG A 16 -1.340 4.428 -2.446 1.00 0.00 H new ATOM 0 HA ARG A 16 -3.080 3.761 -4.736 1.00 0.00 H new ATOM 0 HB2 ARG A 16 -1.883 5.182 -6.201 1.00 0.00 H new ATOM 0 HB3 ARG A 16 -2.476 6.159 -4.873 1.00 0.00 H new ATOM 0 HG2 ARG A 16 -0.268 6.235 -3.857 1.00 0.00 H new ATOM 0 HG3 ARG A 16 0.360 5.087 -5.023 1.00 0.00 H new ATOM 0 HD2 ARG A 16 -0.591 7.924 -5.556 1.00 0.00 H new ATOM 0 HD3 ARG A 16 1.040 7.303 -5.715 1.00 0.00 H new ATOM 0 HE ARG A 16 -0.962 7.278 -7.740 1.00 0.00 H new ATOM 0 HH11 ARG A 16 1.520 5.153 -6.368 1.00 0.00 H new ATOM 0 HH12 ARG A 16 1.703 4.222 -7.858 1.00 0.00 H new ATOM 0 HH21 ARG A 16 -0.722 6.058 -9.637 1.00 0.00 H new ATOM 0 HH22 ARG A 16 0.442 4.731 -9.697 1.00 0.00 H new ATOM 259 N VAL A 17 -1.394 2.062 -5.426 1.00 0.00 N ATOM 260 CA VAL A 17 -0.514 0.934 -5.697 1.00 0.00 C ATOM 261 C VAL A 17 0.764 1.340 -6.432 1.00 0.00 C ATOM 262 O VAL A 17 0.758 2.190 -7.327 1.00 0.00 O ATOM 263 CB VAL A 17 -1.254 -0.171 -6.490 1.00 0.00 C ATOM 264 CG1 VAL A 17 -1.759 0.355 -7.826 1.00 0.00 C ATOM 265 CG2 VAL A 17 -0.369 -1.395 -6.691 1.00 0.00 C ATOM 0 H VAL A 17 -2.270 2.044 -5.949 1.00 0.00 H new ATOM 0 HA VAL A 17 -0.217 0.541 -4.725 1.00 0.00 H new ATOM 0 HB VAL A 17 -2.118 -0.475 -5.899 1.00 0.00 H new ATOM 0 HG11 VAL A 17 -2.274 -0.443 -8.360 1.00 0.00 H new ATOM 0 HG12 VAL A 17 -2.449 1.181 -7.654 1.00 0.00 H new ATOM 0 HG13 VAL A 17 -0.916 0.705 -8.422 1.00 0.00 H new ATOM 0 HG21 VAL A 17 -0.917 -2.153 -7.251 1.00 0.00 H new ATOM 0 HG22 VAL A 17 0.525 -1.110 -7.245 1.00 0.00 H new ATOM 0 HG23 VAL A 17 -0.081 -1.799 -5.720 1.00 0.00 H new ATOM 275 N ARG A 18 1.853 0.705 -6.035 1.00 0.00 N ATOM 276 CA ARG A 18 3.163 0.933 -6.620 1.00 0.00 C ATOM 277 C ARG A 18 3.638 -0.330 -7.316 1.00 0.00 C ATOM 278 O ARG A 18 4.245 -0.278 -8.383 1.00 0.00 O ATOM 279 CB ARG A 18 4.170 1.336 -5.544 1.00 0.00 C ATOM 280 CG ARG A 18 4.026 2.767 -5.066 1.00 0.00 C ATOM 281 CD ARG A 18 4.623 3.754 -6.060 1.00 0.00 C ATOM 282 NE ARG A 18 6.034 3.472 -6.351 1.00 0.00 N ATOM 283 CZ ARG A 18 7.028 3.552 -5.455 1.00 0.00 C ATOM 284 NH1 ARG A 18 6.787 3.945 -4.207 1.00 0.00 N ATOM 285 NH2 ARG A 18 8.269 3.244 -5.816 1.00 0.00 N ATOM 0 H ARG A 18 1.853 0.009 -5.289 1.00 0.00 H new ATOM 0 HA ARG A 18 3.085 1.743 -7.345 1.00 0.00 H new ATOM 0 HB2 ARG A 18 4.061 0.667 -4.691 1.00 0.00 H new ATOM 0 HB3 ARG A 18 5.178 1.194 -5.934 1.00 0.00 H new ATOM 0 HG2 ARG A 18 2.971 2.996 -4.914 1.00 0.00 H new ATOM 0 HG3 ARG A 18 4.519 2.880 -4.100 1.00 0.00 H new ATOM 0 HD2 ARG A 18 4.051 3.723 -6.987 1.00 0.00 H new ATOM 0 HD3 ARG A 18 4.532 4.765 -5.663 1.00 0.00 H new ATOM 0 HE ARG A 18 6.275 3.196 -7.303 1.00 0.00 H new ATOM 0 HH11 ARG A 18 5.838 4.189 -3.923 1.00 0.00 H new ATOM 0 HH12 ARG A 18 7.551 4.002 -3.534 1.00 0.00 H new ATOM 0 HH21 ARG A 18 8.463 2.948 -6.773 1.00 0.00 H new ATOM 0 HH22 ARG A 18 9.027 3.304 -5.137 1.00 0.00 H new ATOM 299 N GLY A 19 3.353 -1.462 -6.691 1.00 0.00 N ATOM 300 CA GLY A 19 3.746 -2.744 -7.240 1.00 0.00 C ATOM 301 C GLY A 19 3.345 -3.890 -6.337 1.00 0.00 C ATOM 302 O GLY A 19 2.367 -3.793 -5.600 1.00 0.00 O ATOM 0 H GLY A 19 2.851 -1.516 -5.804 1.00 0.00 H new ATOM 0 HA2 GLY A 19 3.287 -2.876 -8.220 1.00 0.00 H new ATOM 0 HA3 GLY A 19 4.826 -2.760 -7.389 1.00 0.00 H new ATOM 306 N THR A 20 4.108 -4.967 -6.385 1.00 0.00 N ATOM 307 CA THR A 20 3.842 -6.140 -5.564 1.00 0.00 C ATOM 308 C THR A 20 5.098 -6.559 -4.813 1.00 0.00 C ATOM 309 O THR A 20 6.211 -6.353 -5.295 1.00 0.00 O ATOM 310 CB THR A 20 3.340 -7.319 -6.418 1.00 0.00 C ATOM 311 OG1 THR A 20 4.139 -7.435 -7.603 1.00 0.00 O ATOM 312 CG2 THR A 20 1.878 -7.137 -6.798 1.00 0.00 C ATOM 0 H THR A 20 4.925 -5.056 -6.989 1.00 0.00 H new ATOM 0 HA THR A 20 3.063 -5.871 -4.850 1.00 0.00 H new ATOM 0 HB THR A 20 3.428 -8.231 -5.827 1.00 0.00 H new ATOM 0 HG1 THR A 20 3.817 -8.187 -8.142 1.00 0.00 H new ATOM 0 HG21 THR A 20 1.551 -7.984 -7.401 1.00 0.00 H new ATOM 0 HG22 THR A 20 1.272 -7.079 -5.894 1.00 0.00 H new ATOM 0 HG23 THR A 20 1.763 -6.218 -7.372 1.00 0.00 H new ATOM 320 N CYS A 21 4.921 -7.134 -3.633 1.00 0.00 N ATOM 321 CA CYS A 21 6.055 -7.566 -2.824 1.00 0.00 C ATOM 322 C CYS A 21 6.224 -9.075 -2.889 1.00 0.00 C ATOM 323 O CYS A 21 7.324 -9.581 -3.092 1.00 0.00 O ATOM 324 CB CYS A 21 5.862 -7.151 -1.371 1.00 0.00 C ATOM 325 SG CYS A 21 5.094 -5.518 -1.158 1.00 0.00 S ATOM 0 H CYS A 21 4.008 -7.312 -3.214 1.00 0.00 H new ATOM 0 HA CYS A 21 6.949 -7.088 -3.225 1.00 0.00 H new ATOM 0 HB2 CYS A 21 5.246 -7.898 -0.870 1.00 0.00 H new ATOM 0 HB3 CYS A 21 6.832 -7.152 -0.873 1.00 0.00 H new ATOM 330 N GLY A 22 5.124 -9.787 -2.702 1.00 0.00 N ATOM 331 CA GLY A 22 5.173 -11.230 -2.730 1.00 0.00 C ATOM 332 C GLY A 22 3.800 -11.856 -2.787 1.00 0.00 C ATOM 333 O GLY A 22 2.871 -11.275 -3.353 1.00 0.00 O ATOM 0 H GLY A 22 4.200 -9.390 -2.532 1.00 0.00 H new ATOM 0 HA2 GLY A 22 5.752 -11.554 -3.595 1.00 0.00 H new ATOM 0 HA3 GLY A 22 5.696 -11.590 -1.844 1.00 0.00 H new ATOM 337 N ILE A 23 3.692 -13.044 -2.206 1.00 0.00 N ATOM 338 CA ILE A 23 2.447 -13.813 -2.178 1.00 0.00 C ATOM 339 C ILE A 23 1.259 -13.021 -1.627 1.00 0.00 C ATOM 340 O ILE A 23 0.991 -13.022 -0.430 1.00 0.00 O ATOM 341 CB ILE A 23 2.616 -15.120 -1.369 1.00 0.00 C ATOM 342 CG1 ILE A 23 3.321 -14.850 -0.033 1.00 0.00 C ATOM 343 CG2 ILE A 23 3.387 -16.147 -2.187 1.00 0.00 C ATOM 344 CD1 ILE A 23 3.424 -16.068 0.860 1.00 0.00 C ATOM 0 H ILE A 23 4.470 -13.508 -1.736 1.00 0.00 H new ATOM 0 HA ILE A 23 2.226 -14.051 -3.218 1.00 0.00 H new ATOM 0 HB ILE A 23 1.626 -15.521 -1.150 1.00 0.00 H new ATOM 0 HG12 ILE A 23 4.323 -14.471 -0.232 1.00 0.00 H new ATOM 0 HG13 ILE A 23 2.783 -14.065 0.499 1.00 0.00 H new ATOM 0 HG21 ILE A 23 3.500 -17.063 -1.607 1.00 0.00 H new ATOM 0 HG22 ILE A 23 2.842 -16.364 -3.106 1.00 0.00 H new ATOM 0 HG23 ILE A 23 4.372 -15.750 -2.434 1.00 0.00 H new ATOM 0 HD11 ILE A 23 3.934 -15.799 1.785 1.00 0.00 H new ATOM 0 HD12 ILE A 23 2.424 -16.436 1.090 1.00 0.00 H new ATOM 0 HD13 ILE A 23 3.988 -16.848 0.348 1.00 0.00 H new ATOM 356 N ARG A 24 0.544 -12.369 -2.541 1.00 0.00 N ATOM 357 CA ARG A 24 -0.643 -11.573 -2.227 1.00 0.00 C ATOM 358 C ARG A 24 -0.318 -10.288 -1.462 1.00 0.00 C ATOM 359 O ARG A 24 -1.186 -9.745 -0.780 1.00 0.00 O ATOM 360 CB ARG A 24 -1.674 -12.398 -1.445 1.00 0.00 C ATOM 361 CG ARG A 24 -2.186 -13.615 -2.199 1.00 0.00 C ATOM 362 CD ARG A 24 -3.248 -14.357 -1.404 1.00 0.00 C ATOM 363 NE ARG A 24 -4.455 -13.550 -1.207 1.00 0.00 N ATOM 364 CZ ARG A 24 -5.535 -13.971 -0.544 1.00 0.00 C ATOM 365 NH1 ARG A 24 -5.551 -15.180 0.007 1.00 0.00 N ATOM 366 NH2 ARG A 24 -6.596 -13.177 -0.431 1.00 0.00 N ATOM 0 H ARG A 24 0.775 -12.378 -3.534 1.00 0.00 H new ATOM 0 HA ARG A 24 -1.068 -11.281 -3.187 1.00 0.00 H new ATOM 0 HB2 ARG A 24 -1.227 -12.725 -0.506 1.00 0.00 H new ATOM 0 HB3 ARG A 24 -2.519 -11.758 -1.190 1.00 0.00 H new ATOM 0 HG2 ARG A 24 -2.600 -13.303 -3.158 1.00 0.00 H new ATOM 0 HG3 ARG A 24 -1.355 -14.287 -2.414 1.00 0.00 H new ATOM 0 HD2 ARG A 24 -3.510 -15.279 -1.923 1.00 0.00 H new ATOM 0 HD3 ARG A 24 -2.841 -14.642 -0.434 1.00 0.00 H new ATOM 0 HE ARG A 24 -4.471 -12.609 -1.600 1.00 0.00 H new ATOM 0 HH11 ARG A 24 -4.737 -15.789 -0.076 1.00 0.00 H new ATOM 0 HH12 ARG A 24 -6.377 -15.499 0.513 1.00 0.00 H new ATOM 0 HH21 ARG A 24 -6.584 -12.247 -0.851 1.00 0.00 H new ATOM 0 HH22 ARG A 24 -7.421 -13.498 0.075 1.00 0.00 H new ATOM 380 N PHE A 25 0.895 -9.764 -1.614 1.00 0.00 N ATOM 381 CA PHE A 25 1.246 -8.503 -0.960 1.00 0.00 C ATOM 382 C PHE A 25 1.559 -7.469 -2.017 1.00 0.00 C ATOM 383 O PHE A 25 2.301 -7.744 -2.965 1.00 0.00 O ATOM 384 CB PHE A 25 2.449 -8.607 -0.015 1.00 0.00 C ATOM 385 CG PHE A 25 2.230 -9.413 1.236 1.00 0.00 C ATOM 386 CD1 PHE A 25 1.887 -10.751 1.178 1.00 0.00 C ATOM 387 CD2 PHE A 25 2.378 -8.819 2.480 1.00 0.00 C ATOM 388 CE1 PHE A 25 1.696 -11.485 2.334 1.00 0.00 C ATOM 389 CE2 PHE A 25 2.188 -9.545 3.639 1.00 0.00 C ATOM 390 CZ PHE A 25 1.846 -10.880 3.566 1.00 0.00 C ATOM 0 H PHE A 25 1.640 -10.181 -2.172 1.00 0.00 H new ATOM 0 HA PHE A 25 0.385 -8.222 -0.353 1.00 0.00 H new ATOM 0 HB2 PHE A 25 3.283 -9.044 -0.565 1.00 0.00 H new ATOM 0 HB3 PHE A 25 2.750 -7.599 0.272 1.00 0.00 H new ATOM 0 HD1 PHE A 25 1.767 -11.229 0.217 1.00 0.00 H new ATOM 0 HD2 PHE A 25 2.645 -7.775 2.543 1.00 0.00 H new ATOM 0 HE1 PHE A 25 1.430 -12.530 2.273 1.00 0.00 H new ATOM 0 HE2 PHE A 25 2.307 -9.069 4.601 1.00 0.00 H new ATOM 0 HZ PHE A 25 1.696 -11.450 4.471 1.00 0.00 H new ATOM 400 N LEU A 26 1.006 -6.287 -1.855 1.00 0.00 N ATOM 401 CA LEU A 26 1.234 -5.214 -2.800 1.00 0.00 C ATOM 402 C LEU A 26 1.945 -4.053 -2.133 1.00 0.00 C ATOM 403 O LEU A 26 1.687 -3.725 -0.976 1.00 0.00 O ATOM 404 CB LEU A 26 -0.078 -4.721 -3.419 1.00 0.00 C ATOM 405 CG LEU A 26 -0.833 -5.738 -4.284 1.00 0.00 C ATOM 406 CD1 LEU A 26 -1.654 -6.689 -3.424 1.00 0.00 C ATOM 407 CD2 LEU A 26 -1.723 -5.020 -5.287 1.00 0.00 C ATOM 0 H LEU A 26 0.394 -6.044 -1.076 1.00 0.00 H new ATOM 0 HA LEU A 26 1.863 -5.614 -3.595 1.00 0.00 H new ATOM 0 HB2 LEU A 26 -0.738 -4.396 -2.614 1.00 0.00 H new ATOM 0 HB3 LEU A 26 0.137 -3.843 -4.028 1.00 0.00 H new ATOM 0 HG LEU A 26 -0.099 -6.331 -4.829 1.00 0.00 H new ATOM 0 HD11 LEU A 26 -2.178 -7.398 -4.065 1.00 0.00 H new ATOM 0 HD12 LEU A 26 -0.993 -7.231 -2.748 1.00 0.00 H new ATOM 0 HD13 LEU A 26 -2.380 -6.120 -2.843 1.00 0.00 H new ATOM 0 HD21 LEU A 26 -2.253 -5.754 -5.894 1.00 0.00 H new ATOM 0 HD22 LEU A 26 -2.445 -4.400 -4.755 1.00 0.00 H new ATOM 0 HD23 LEU A 26 -1.110 -4.390 -5.932 1.00 0.00 H new ATOM 419 N TYR A 27 2.817 -3.428 -2.889 1.00 0.00 N ATOM 420 CA TYR A 27 3.563 -2.277 -2.423 1.00 0.00 C ATOM 421 C TYR A 27 2.755 -1.032 -2.755 1.00 0.00 C ATOM 422 O TYR A 27 2.414 -0.810 -3.919 1.00 0.00 O ATOM 423 CB TYR A 27 4.936 -2.253 -3.107 1.00 0.00 C ATOM 424 CG TYR A 27 5.815 -1.076 -2.744 1.00 0.00 C ATOM 425 CD1 TYR A 27 5.919 -0.621 -1.435 1.00 0.00 C ATOM 426 CD2 TYR A 27 6.553 -0.426 -3.724 1.00 0.00 C ATOM 427 CE1 TYR A 27 6.733 0.451 -1.117 1.00 0.00 C ATOM 428 CE2 TYR A 27 7.366 0.643 -3.415 1.00 0.00 C ATOM 429 CZ TYR A 27 7.455 1.079 -2.112 1.00 0.00 C ATOM 430 OH TYR A 27 8.266 2.148 -1.806 1.00 0.00 O ATOM 0 H TYR A 27 3.031 -3.702 -3.848 1.00 0.00 H new ATOM 0 HA TYR A 27 3.728 -2.320 -1.346 1.00 0.00 H new ATOM 0 HB2 TYR A 27 5.465 -3.172 -2.856 1.00 0.00 H new ATOM 0 HB3 TYR A 27 4.787 -2.255 -4.187 1.00 0.00 H new ATOM 0 HD1 TYR A 27 5.356 -1.112 -0.655 1.00 0.00 H new ATOM 0 HD2 TYR A 27 6.489 -0.764 -4.748 1.00 0.00 H new ATOM 0 HE1 TYR A 27 6.803 0.795 -0.096 1.00 0.00 H new ATOM 0 HE2 TYR A 27 7.931 1.137 -4.192 1.00 0.00 H new ATOM 0 HH TYR A 27 8.703 2.471 -2.622 1.00 0.00 H new ATOM 440 N CYS A 28 2.411 -0.245 -1.745 1.00 0.00 N ATOM 441 CA CYS A 28 1.599 0.943 -1.969 1.00 0.00 C ATOM 442 C CYS A 28 2.126 2.149 -1.202 1.00 0.00 C ATOM 443 O CYS A 28 3.011 2.037 -0.351 1.00 0.00 O ATOM 444 CB CYS A 28 0.151 0.687 -1.541 1.00 0.00 C ATOM 445 SG CYS A 28 -0.576 -0.864 -2.167 1.00 0.00 S ATOM 0 H CYS A 28 2.678 -0.405 -0.773 1.00 0.00 H new ATOM 0 HA CYS A 28 1.647 1.161 -3.036 1.00 0.00 H new ATOM 0 HB2 CYS A 28 0.106 0.678 -0.452 1.00 0.00 H new ATOM 0 HB3 CYS A 28 -0.464 1.521 -1.878 1.00 0.00 H new ATOM 450 N CYS A 29 1.545 3.298 -1.510 1.00 0.00 N ATOM 451 CA CYS A 29 1.892 4.560 -0.866 1.00 0.00 C ATOM 452 C CYS A 29 0.630 5.403 -0.734 1.00 0.00 C ATOM 453 O CYS A 29 -0.114 5.545 -1.704 1.00 0.00 O ATOM 454 CB CYS A 29 2.924 5.341 -1.691 1.00 0.00 C ATOM 455 SG CYS A 29 4.376 4.379 -2.228 1.00 0.00 S ATOM 0 H CYS A 29 0.815 3.384 -2.217 1.00 0.00 H new ATOM 0 HA CYS A 29 2.323 4.344 0.111 1.00 0.00 H new ATOM 0 HB2 CYS A 29 2.429 5.745 -2.574 1.00 0.00 H new ATOM 0 HB3 CYS A 29 3.269 6.191 -1.102 1.00 0.00 H new ATOM 460 N PRO A 30 0.359 5.959 0.454 1.00 0.00 N ATOM 461 CA PRO A 30 -0.832 6.784 0.687 1.00 0.00 C ATOM 462 C PRO A 30 -0.873 8.005 -0.228 1.00 0.00 C ATOM 463 O PRO A 30 0.144 8.667 -0.449 1.00 0.00 O ATOM 464 CB PRO A 30 -0.697 7.217 2.151 1.00 0.00 C ATOM 465 CG PRO A 30 0.228 6.220 2.760 1.00 0.00 C ATOM 466 CD PRO A 30 1.179 5.827 1.668 1.00 0.00 C ATOM 0 HA PRO A 30 -1.751 6.236 0.480 1.00 0.00 H new ATOM 0 HB2 PRO A 30 -0.296 8.228 2.229 1.00 0.00 H new ATOM 0 HB3 PRO A 30 -1.664 7.218 2.654 1.00 0.00 H new ATOM 0 HG2 PRO A 30 0.762 6.648 3.608 1.00 0.00 H new ATOM 0 HG3 PRO A 30 -0.320 5.354 3.132 1.00 0.00 H new ATOM 0 HD2 PRO A 30 2.052 6.479 1.639 1.00 0.00 H new ATOM 0 HD3 PRO A 30 1.546 4.809 1.799 1.00 0.00 H new ATOM 474 N ARG A 31 -2.048 8.296 -0.762 1.00 0.00 N ATOM 475 CA ARG A 31 -2.217 9.434 -1.649 1.00 0.00 C ATOM 476 C ARG A 31 -3.177 10.445 -1.036 1.00 0.00 C ATOM 477 O ARG A 31 -2.943 11.653 -1.106 1.00 0.00 O ATOM 478 CB ARG A 31 -2.716 8.981 -3.027 1.00 0.00 C ATOM 479 CG ARG A 31 -2.894 10.112 -4.040 1.00 0.00 C ATOM 480 CD ARG A 31 -1.593 10.870 -4.300 1.00 0.00 C ATOM 481 NE ARG A 31 -1.234 11.751 -3.189 1.00 0.00 N ATOM 482 CZ ARG A 31 -0.116 12.470 -3.122 1.00 0.00 C ATOM 483 NH1 ARG A 31 0.768 12.434 -4.114 1.00 0.00 N ATOM 484 NH2 ARG A 31 0.114 13.227 -2.055 1.00 0.00 N ATOM 0 H ARG A 31 -2.899 7.759 -0.596 1.00 0.00 H new ATOM 0 HA ARG A 31 -1.247 9.913 -1.782 1.00 0.00 H new ATOM 0 HB2 ARG A 31 -2.013 8.254 -3.433 1.00 0.00 H new ATOM 0 HB3 ARG A 31 -3.670 8.468 -2.903 1.00 0.00 H new ATOM 0 HG2 ARG A 31 -3.266 9.701 -4.978 1.00 0.00 H new ATOM 0 HG3 ARG A 31 -3.650 10.807 -3.675 1.00 0.00 H new ATOM 0 HD2 ARG A 31 -0.787 10.156 -4.470 1.00 0.00 H new ATOM 0 HD3 ARG A 31 -1.694 11.460 -5.211 1.00 0.00 H new ATOM 0 HE ARG A 31 -1.888 11.819 -2.409 1.00 0.00 H new ATOM 0 HH11 ARG A 31 0.592 11.853 -4.933 1.00 0.00 H new ATOM 0 HH12 ARG A 31 1.623 12.988 -4.056 1.00 0.00 H new ATOM 0 HH21 ARG A 31 -0.564 13.255 -1.294 1.00 0.00 H new ATOM 0 HH22 ARG A 31 0.969 13.781 -1.997 1.00 0.00 H new ATOM 498 N ARG A 32 -4.245 9.944 -0.437 1.00 0.00 N ATOM 499 CA ARG A 32 -5.232 10.799 0.200 1.00 0.00 C ATOM 500 C ARG A 32 -4.701 11.307 1.536 1.00 0.00 C ATOM 501 O ARG A 32 -4.964 12.478 1.874 1.00 0.00 O ATOM 502 CB ARG A 32 -6.537 10.031 0.423 1.00 0.00 C ATOM 503 CG ARG A 32 -7.617 10.864 1.098 1.00 0.00 C ATOM 504 CD ARG A 32 -8.394 10.050 2.124 1.00 0.00 C ATOM 505 NE ARG A 32 -7.519 9.439 3.134 1.00 0.00 N ATOM 506 CZ ARG A 32 -6.735 10.126 3.977 1.00 0.00 C ATOM 507 NH1 ARG A 32 -6.740 11.455 3.977 1.00 0.00 N ATOM 508 NH2 ARG A 32 -5.943 9.475 4.821 1.00 0.00 N ATOM 509 OXT ARG A 32 -4.050 10.513 2.249 1.00 0.00 O ATOM 0 H ARG A 32 -4.450 8.947 -0.379 1.00 0.00 H new ATOM 0 HA ARG A 32 -5.428 11.648 -0.454 1.00 0.00 H new ATOM 0 HB2 ARG A 32 -6.910 9.675 -0.537 1.00 0.00 H new ATOM 0 HB3 ARG A 32 -6.333 9.150 1.032 1.00 0.00 H new ATOM 0 HG2 ARG A 32 -7.161 11.725 1.586 1.00 0.00 H new ATOM 0 HG3 ARG A 32 -8.303 11.251 0.344 1.00 0.00 H new ATOM 0 HD2 ARG A 32 -9.121 10.694 2.619 1.00 0.00 H new ATOM 0 HD3 ARG A 32 -8.956 9.268 1.613 1.00 0.00 H new ATOM 0 HE ARG A 32 -7.507 8.421 3.198 1.00 0.00 H new ATOM 0 HH11 ARG A 32 -7.345 11.963 3.331 1.00 0.00 H new ATOM 0 HH12 ARG A 32 -6.139 11.967 4.623 1.00 0.00 H new ATOM 0 HH21 ARG A 32 -5.932 8.455 4.827 1.00 0.00 H new ATOM 0 HH22 ARG A 32 -5.345 9.995 5.464 1.00 0.00 H new TER 523 ARG A 32