USER MOD reduce.3.24.130724 H: found=0, std=0, add=266, rem=0, adj=7 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+ -135:sc= 0.0289 (180deg=0) USER MOD Single : A 5 TYR OH : rot 180:sc= -0.297 USER MOD Single : A 8 LYS NZ :NH3+ -161:sc= -0.0593 (180deg=-0.411) USER MOD Single : A 10 HIS :FLIP no HD1:sc= -0.146 F(o=-1,f=-0.15) USER MOD Single : A 12 LYS NZ :NH3+ -142:sc= 1.14 (180deg=-0.691) USER MOD Single : A 20 THR OG1 : rot 180:sc= 0.0231 USER MOD Single : A 27 TYR OH : rot 180:sc= -0.208 USER MOD ----------------------------------------------------------------- ATOM 1 N GLY A 1 8.028 14.335 0.348 1.00 0.00 N ATOM 2 CA GLY A 1 8.101 13.957 -1.086 1.00 0.00 C ATOM 3 C GLY A 1 7.209 12.778 -1.382 1.00 0.00 C ATOM 4 O GLY A 1 6.128 12.672 -0.809 1.00 0.00 O ATOM 0 H1 GLY A 1 7.940 15.368 0.431 1.00 0.00 H new ATOM 0 H2 GLY A 1 7.201 13.881 0.785 1.00 0.00 H new ATOM 0 H3 GLY A 1 8.892 14.022 0.834 1.00 0.00 H new ATOM 0 HA2 GLY A 1 7.806 14.805 -1.704 1.00 0.00 H new ATOM 0 HA3 GLY A 1 9.130 13.714 -1.349 1.00 0.00 H new ATOM 10 N LEU A 2 7.666 11.885 -2.250 1.00 0.00 N ATOM 11 CA LEU A 2 6.900 10.693 -2.597 1.00 0.00 C ATOM 12 C LEU A 2 6.843 9.741 -1.410 1.00 0.00 C ATOM 13 O LEU A 2 7.794 9.657 -0.631 1.00 0.00 O ATOM 14 CB LEU A 2 7.520 9.991 -3.808 1.00 0.00 C ATOM 15 CG LEU A 2 7.540 10.812 -5.099 1.00 0.00 C ATOM 16 CD1 LEU A 2 8.242 10.043 -6.207 1.00 0.00 C ATOM 17 CD2 LEU A 2 6.124 11.179 -5.521 1.00 0.00 C ATOM 0 H LEU A 2 8.564 11.963 -2.728 1.00 0.00 H new ATOM 0 HA LEU A 2 5.885 10.996 -2.854 1.00 0.00 H new ATOM 0 HB2 LEU A 2 8.543 9.710 -3.560 1.00 0.00 H new ATOM 0 HB3 LEU A 2 6.971 9.067 -3.992 1.00 0.00 H new ATOM 0 HG LEU A 2 8.093 11.733 -4.913 1.00 0.00 H new ATOM 0 HD11 LEU A 2 8.247 10.641 -7.118 1.00 0.00 H new ATOM 0 HD12 LEU A 2 9.268 9.829 -5.908 1.00 0.00 H new ATOM 0 HD13 LEU A 2 7.715 9.107 -6.391 1.00 0.00 H new ATOM 0 HD21 LEU A 2 6.158 11.763 -6.441 1.00 0.00 H new ATOM 0 HD22 LEU A 2 5.547 10.270 -5.690 1.00 0.00 H new ATOM 0 HD23 LEU A 2 5.651 11.768 -4.735 1.00 0.00 H new ATOM 29 N LEU A 3 5.731 9.034 -1.277 1.00 0.00 N ATOM 30 CA LEU A 3 5.547 8.094 -0.186 1.00 0.00 C ATOM 31 C LEU A 3 4.418 7.129 -0.517 1.00 0.00 C ATOM 32 O LEU A 3 3.310 7.545 -0.846 1.00 0.00 O ATOM 33 CB LEU A 3 5.235 8.845 1.114 1.00 0.00 C ATOM 34 CG LEU A 3 5.091 7.969 2.360 1.00 0.00 C ATOM 35 CD1 LEU A 3 6.395 7.247 2.667 1.00 0.00 C ATOM 36 CD2 LEU A 3 4.654 8.811 3.550 1.00 0.00 C ATOM 0 H LEU A 3 4.939 9.096 -1.916 1.00 0.00 H new ATOM 0 HA LEU A 3 6.468 7.528 -0.050 1.00 0.00 H new ATOM 0 HB2 LEU A 3 6.027 9.573 1.292 1.00 0.00 H new ATOM 0 HB3 LEU A 3 4.311 9.406 0.977 1.00 0.00 H new ATOM 0 HG LEU A 3 4.326 7.218 2.165 1.00 0.00 H new ATOM 0 HD11 LEU A 3 6.269 6.630 3.557 1.00 0.00 H new ATOM 0 HD12 LEU A 3 6.668 6.614 1.823 1.00 0.00 H new ATOM 0 HD13 LEU A 3 7.184 7.979 2.842 1.00 0.00 H new ATOM 0 HD21 LEU A 3 4.556 8.175 4.429 1.00 0.00 H new ATOM 0 HD22 LEU A 3 5.399 9.583 3.742 1.00 0.00 H new ATOM 0 HD23 LEU A 3 3.694 9.279 3.332 1.00 0.00 H new ATOM 48 N CYS A 4 4.717 5.843 -0.435 1.00 0.00 N ATOM 49 CA CYS A 4 3.746 4.796 -0.723 1.00 0.00 C ATOM 50 C CYS A 4 4.041 3.591 0.164 1.00 0.00 C ATOM 51 O CYS A 4 5.156 3.453 0.668 1.00 0.00 O ATOM 52 CB CYS A 4 3.803 4.386 -2.199 1.00 0.00 C ATOM 53 SG CYS A 4 3.879 5.775 -3.384 1.00 0.00 S ATOM 0 H CYS A 4 5.637 5.494 -0.168 1.00 0.00 H new ATOM 0 HA CYS A 4 2.744 5.174 -0.518 1.00 0.00 H new ATOM 0 HB2 CYS A 4 4.676 3.751 -2.351 1.00 0.00 H new ATOM 0 HB3 CYS A 4 2.925 3.781 -2.427 1.00 0.00 H new ATOM 58 N TYR A 5 3.050 2.733 0.375 1.00 0.00 N ATOM 59 CA TYR A 5 3.230 1.562 1.227 1.00 0.00 C ATOM 60 C TYR A 5 2.671 0.300 0.582 1.00 0.00 C ATOM 61 O TYR A 5 1.642 0.326 -0.093 1.00 0.00 O ATOM 62 CB TYR A 5 2.538 1.748 2.584 1.00 0.00 C ATOM 63 CG TYR A 5 3.020 2.928 3.399 1.00 0.00 C ATOM 64 CD1 TYR A 5 2.606 4.221 3.107 1.00 0.00 C ATOM 65 CD2 TYR A 5 3.882 2.742 4.472 1.00 0.00 C ATOM 66 CE1 TYR A 5 3.037 5.295 3.860 1.00 0.00 C ATOM 67 CE2 TYR A 5 4.319 3.811 5.229 1.00 0.00 C ATOM 68 CZ TYR A 5 3.893 5.085 4.918 1.00 0.00 C ATOM 69 OH TYR A 5 4.322 6.151 5.675 1.00 0.00 O ATOM 0 H TYR A 5 2.118 2.824 -0.029 1.00 0.00 H new ATOM 0 HA TYR A 5 4.305 1.453 1.367 1.00 0.00 H new ATOM 0 HB2 TYR A 5 1.467 1.857 2.415 1.00 0.00 H new ATOM 0 HB3 TYR A 5 2.677 0.841 3.172 1.00 0.00 H new ATOM 0 HD1 TYR A 5 1.936 4.389 2.277 1.00 0.00 H new ATOM 0 HD2 TYR A 5 4.216 1.745 4.718 1.00 0.00 H new ATOM 0 HE1 TYR A 5 2.705 6.294 3.621 1.00 0.00 H new ATOM 0 HE2 TYR A 5 4.990 3.650 6.060 1.00 0.00 H new ATOM 0 HH TYR A 5 4.920 5.830 6.382 1.00 0.00 H new ATOM 79 N CYS A 6 3.348 -0.809 0.833 1.00 0.00 N ATOM 80 CA CYS A 6 2.931 -2.108 0.339 1.00 0.00 C ATOM 81 C CYS A 6 2.024 -2.772 1.359 1.00 0.00 C ATOM 82 O CYS A 6 2.321 -2.782 2.555 1.00 0.00 O ATOM 83 CB CYS A 6 4.138 -3.002 0.076 1.00 0.00 C ATOM 84 SG CYS A 6 5.263 -2.378 -1.212 1.00 0.00 S ATOM 0 H CYS A 6 4.204 -0.832 1.387 1.00 0.00 H new ATOM 0 HA CYS A 6 2.394 -1.965 -0.598 1.00 0.00 H new ATOM 0 HB2 CYS A 6 4.697 -3.121 1.004 1.00 0.00 H new ATOM 0 HB3 CYS A 6 3.786 -3.992 -0.213 1.00 0.00 H new ATOM 89 N ARG A 7 0.925 -3.323 0.885 1.00 0.00 N ATOM 90 CA ARG A 7 -0.035 -3.993 1.745 1.00 0.00 C ATOM 91 C ARG A 7 -0.624 -5.175 0.994 1.00 0.00 C ATOM 92 O ARG A 7 -0.777 -5.126 -0.224 1.00 0.00 O ATOM 93 CB ARG A 7 -1.141 -3.029 2.188 1.00 0.00 C ATOM 94 CG ARG A 7 -0.622 -1.728 2.776 1.00 0.00 C ATOM 95 CD ARG A 7 -1.750 -0.836 3.259 1.00 0.00 C ATOM 96 NE ARG A 7 -1.277 0.502 3.612 1.00 0.00 N ATOM 97 CZ ARG A 7 -0.517 0.794 4.668 1.00 0.00 C ATOM 98 NH1 ARG A 7 -0.155 -0.154 5.530 1.00 0.00 N ATOM 99 NH2 ARG A 7 -0.124 2.045 4.859 1.00 0.00 N ATOM 0 H ARG A 7 0.671 -3.320 -0.103 1.00 0.00 H new ATOM 0 HA ARG A 7 0.471 -4.345 2.644 1.00 0.00 H new ATOM 0 HB2 ARG A 7 -1.776 -2.802 1.332 1.00 0.00 H new ATOM 0 HB3 ARG A 7 -1.769 -3.526 2.928 1.00 0.00 H new ATOM 0 HG2 ARG A 7 0.049 -1.947 3.607 1.00 0.00 H new ATOM 0 HG3 ARG A 7 -0.036 -1.198 2.025 1.00 0.00 H new ATOM 0 HD2 ARG A 7 -2.510 -0.759 2.481 1.00 0.00 H new ATOM 0 HD3 ARG A 7 -2.227 -1.292 4.126 1.00 0.00 H new ATOM 0 HE ARG A 7 -1.550 1.273 3.002 1.00 0.00 H new ATOM 0 HH11 ARG A 7 -0.459 -1.117 5.387 1.00 0.00 H new ATOM 0 HH12 ARG A 7 0.427 0.083 6.334 1.00 0.00 H new ATOM 0 HH21 ARG A 7 -0.403 2.773 4.202 1.00 0.00 H new ATOM 0 HH22 ARG A 7 0.458 2.280 5.663 1.00 0.00 H new ATOM 113 N LYS A 8 -0.902 -6.246 1.707 1.00 0.00 N ATOM 114 CA LYS A 8 -1.419 -7.459 1.091 1.00 0.00 C ATOM 115 C LYS A 8 -2.823 -7.294 0.508 1.00 0.00 C ATOM 116 O LYS A 8 -3.826 -7.343 1.224 1.00 0.00 O ATOM 117 CB LYS A 8 -1.409 -8.605 2.090 1.00 0.00 C ATOM 118 CG LYS A 8 -2.030 -9.892 1.567 1.00 0.00 C ATOM 119 CD LYS A 8 -2.067 -10.970 2.636 1.00 0.00 C ATOM 120 CE LYS A 8 -2.869 -12.179 2.180 1.00 0.00 C ATOM 121 NZ LYS A 8 -4.298 -11.836 1.928 1.00 0.00 N ATOM 0 H LYS A 8 -0.779 -6.305 2.718 1.00 0.00 H new ATOM 0 HA LYS A 8 -0.755 -7.683 0.256 1.00 0.00 H new ATOM 0 HB2 LYS A 8 -0.379 -8.805 2.386 1.00 0.00 H new ATOM 0 HB3 LYS A 8 -1.944 -8.295 2.988 1.00 0.00 H new ATOM 0 HG2 LYS A 8 -3.042 -9.692 1.216 1.00 0.00 H new ATOM 0 HG3 LYS A 8 -1.460 -10.249 0.709 1.00 0.00 H new ATOM 0 HD2 LYS A 8 -1.050 -11.277 2.880 1.00 0.00 H new ATOM 0 HD3 LYS A 8 -2.505 -10.565 3.548 1.00 0.00 H new ATOM 0 HE2 LYS A 8 -2.427 -12.585 1.270 1.00 0.00 H new ATOM 0 HE3 LYS A 8 -2.811 -12.960 2.938 1.00 0.00 H new ATOM 0 HZ1 LYS A 8 -4.870 -12.704 1.937 1.00 0.00 H new ATOM 0 HZ2 LYS A 8 -4.636 -11.191 2.670 1.00 0.00 H new ATOM 0 HZ3 LYS A 8 -4.386 -11.373 1.001 1.00 0.00 H new ATOM 135 N GLY A 9 -2.849 -7.154 -0.806 1.00 0.00 N ATOM 136 CA GLY A 9 -4.083 -7.044 -1.575 1.00 0.00 C ATOM 137 C GLY A 9 -5.078 -6.010 -1.085 1.00 0.00 C ATOM 138 O GLY A 9 -6.280 -6.261 -1.104 1.00 0.00 O ATOM 0 H GLY A 9 -2.006 -7.113 -1.378 1.00 0.00 H new ATOM 0 HA2 GLY A 9 -3.825 -6.811 -2.608 1.00 0.00 H new ATOM 0 HA3 GLY A 9 -4.573 -8.018 -1.581 1.00 0.00 H new ATOM 142 N HIS A 10 -4.591 -4.847 -0.682 1.00 0.00 N ATOM 143 CA HIS A 10 -5.462 -3.764 -0.224 1.00 0.00 C ATOM 144 C HIS A 10 -4.643 -2.561 0.189 1.00 0.00 C ATOM 145 O HIS A 10 -3.443 -2.671 0.417 1.00 0.00 O ATOM 146 CB HIS A 10 -6.402 -4.198 0.920 1.00 0.00 C ATOM 147 CG HIS A 10 -5.738 -4.663 2.188 1.00 0.00 C ATOM 148 ND1 HIS A 10 -4.556 -4.328 2.765 1.00 0.00 N flip ATOM 149 CD2 HIS A 10 -6.334 -5.560 3.050 1.00 0.00 C flip ATOM 150 CE1 HIS A 10 -4.466 -5.021 3.947 1.00 0.00 C flip ATOM 151 NE2 HIS A 10 -5.553 -5.756 4.094 1.00 0.00 N flip ATOM 0 H HIS A 10 -3.596 -4.624 -0.661 1.00 0.00 H new ATOM 0 HA HIS A 10 -6.096 -3.492 -1.068 1.00 0.00 H new ATOM 0 HB2 HIS A 10 -7.055 -3.360 1.163 1.00 0.00 H new ATOM 0 HB3 HIS A 10 -7.039 -5.002 0.553 1.00 0.00 H new ATOM 0 HD2 HIS A 10 -7.294 -6.030 2.894 1.00 0.00 H new ATOM 0 HE1 HIS A 10 -3.641 -4.973 4.643 1.00 0.00 H new ATOM 0 HE2 HIS A 10 -5.754 -6.371 4.882 1.00 0.00 H new ATOM 160 N CYS A 11 -5.299 -1.427 0.285 1.00 0.00 N ATOM 161 CA CYS A 11 -4.636 -0.196 0.675 1.00 0.00 C ATOM 162 C CYS A 11 -5.327 0.410 1.879 1.00 0.00 C ATOM 163 O CYS A 11 -6.494 0.109 2.154 1.00 0.00 O ATOM 164 CB CYS A 11 -4.667 0.822 -0.467 1.00 0.00 C ATOM 165 SG CYS A 11 -4.335 0.116 -2.115 1.00 0.00 S ATOM 0 H CYS A 11 -6.297 -1.328 0.098 1.00 0.00 H new ATOM 0 HA CYS A 11 -3.601 -0.437 0.919 1.00 0.00 H new ATOM 0 HB2 CYS A 11 -5.645 1.303 -0.482 1.00 0.00 H new ATOM 0 HB3 CYS A 11 -3.931 1.600 -0.264 1.00 0.00 H new ATOM 170 N LYS A 12 -4.622 1.291 2.565 1.00 0.00 N ATOM 171 CA LYS A 12 -5.182 1.997 3.706 1.00 0.00 C ATOM 172 C LYS A 12 -6.310 2.880 3.190 1.00 0.00 C ATOM 173 O LYS A 12 -6.256 3.319 2.043 1.00 0.00 O ATOM 174 CB LYS A 12 -4.101 2.853 4.392 1.00 0.00 C ATOM 175 CG LYS A 12 -4.630 4.104 5.092 1.00 0.00 C ATOM 176 CD LYS A 12 -3.585 5.214 5.125 1.00 0.00 C ATOM 177 CE LYS A 12 -4.197 6.548 5.538 1.00 0.00 C ATOM 178 NZ LYS A 12 -3.224 7.672 5.431 1.00 0.00 N ATOM 0 H LYS A 12 -3.655 1.537 2.351 1.00 0.00 H new ATOM 0 HA LYS A 12 -5.559 1.289 4.444 1.00 0.00 H new ATOM 0 HB2 LYS A 12 -3.578 2.237 5.124 1.00 0.00 H new ATOM 0 HB3 LYS A 12 -3.366 3.154 3.645 1.00 0.00 H new ATOM 0 HG2 LYS A 12 -5.523 4.459 4.577 1.00 0.00 H new ATOM 0 HG3 LYS A 12 -4.928 3.853 6.110 1.00 0.00 H new ATOM 0 HD2 LYS A 12 -2.791 4.946 5.822 1.00 0.00 H new ATOM 0 HD3 LYS A 12 -3.126 5.312 4.141 1.00 0.00 H new ATOM 0 HE2 LYS A 12 -5.063 6.758 4.910 1.00 0.00 H new ATOM 0 HE3 LYS A 12 -4.557 6.478 6.564 1.00 0.00 H new ATOM 0 HZ1 LYS A 12 -3.364 8.329 6.225 1.00 0.00 H new ATOM 0 HZ2 LYS A 12 -2.255 7.296 5.460 1.00 0.00 H new ATOM 0 HZ3 LYS A 12 -3.373 8.176 4.534 1.00 0.00 H new ATOM 192 N ARG A 13 -7.321 3.137 4.010 1.00 0.00 N ATOM 193 CA ARG A 13 -8.433 3.982 3.585 1.00 0.00 C ATOM 194 C ARG A 13 -7.913 5.358 3.175 1.00 0.00 C ATOM 195 O ARG A 13 -7.666 6.216 4.021 1.00 0.00 O ATOM 196 CB ARG A 13 -9.471 4.116 4.704 1.00 0.00 C ATOM 197 CG ARG A 13 -10.117 2.796 5.099 1.00 0.00 C ATOM 198 CD ARG A 13 -10.800 2.132 3.913 1.00 0.00 C ATOM 199 NE ARG A 13 -11.426 0.861 4.283 1.00 0.00 N ATOM 200 CZ ARG A 13 -12.065 0.064 3.423 1.00 0.00 C ATOM 201 NH1 ARG A 13 -12.151 0.399 2.138 1.00 0.00 N ATOM 202 NH2 ARG A 13 -12.615 -1.068 3.848 1.00 0.00 N ATOM 0 H ARG A 13 -7.396 2.778 4.962 1.00 0.00 H new ATOM 0 HA ARG A 13 -8.917 3.515 2.727 1.00 0.00 H new ATOM 0 HB2 ARG A 13 -8.993 4.553 5.581 1.00 0.00 H new ATOM 0 HB3 ARG A 13 -10.249 4.810 4.385 1.00 0.00 H new ATOM 0 HG2 ARG A 13 -9.359 2.126 5.505 1.00 0.00 H new ATOM 0 HG3 ARG A 13 -10.847 2.969 5.890 1.00 0.00 H new ATOM 0 HD2 ARG A 13 -11.556 2.804 3.507 1.00 0.00 H new ATOM 0 HD3 ARG A 13 -10.069 1.960 3.123 1.00 0.00 H new ATOM 0 HE ARG A 13 -11.371 0.566 5.258 1.00 0.00 H new ATOM 0 HH11 ARG A 13 -11.728 1.266 1.808 1.00 0.00 H new ATOM 0 HH12 ARG A 13 -12.640 -0.212 1.483 1.00 0.00 H new ATOM 0 HH21 ARG A 13 -12.549 -1.329 4.832 1.00 0.00 H new ATOM 0 HH22 ARG A 13 -13.103 -1.676 3.190 1.00 0.00 H new ATOM 216 N GLY A 14 -7.716 5.540 1.876 1.00 0.00 N ATOM 217 CA GLY A 14 -7.195 6.790 1.372 1.00 0.00 C ATOM 218 C GLY A 14 -6.044 6.582 0.400 1.00 0.00 C ATOM 219 O GLY A 14 -5.718 7.473 -0.380 1.00 0.00 O ATOM 0 H GLY A 14 -7.910 4.839 1.161 1.00 0.00 H new ATOM 0 HA2 GLY A 14 -7.994 7.340 0.875 1.00 0.00 H new ATOM 0 HA3 GLY A 14 -6.857 7.404 2.207 1.00 0.00 H new ATOM 223 N GLU A 15 -5.416 5.411 0.451 1.00 0.00 N ATOM 224 CA GLU A 15 -4.297 5.114 -0.425 1.00 0.00 C ATOM 225 C GLU A 15 -4.759 4.684 -1.802 1.00 0.00 C ATOM 226 O GLU A 15 -5.614 3.812 -1.948 1.00 0.00 O ATOM 227 CB GLU A 15 -3.417 4.029 0.181 1.00 0.00 C ATOM 228 CG GLU A 15 -2.633 4.496 1.388 1.00 0.00 C ATOM 229 CD GLU A 15 -1.913 3.366 2.084 1.00 0.00 C ATOM 230 OE1 GLU A 15 -2.147 2.196 1.721 1.00 0.00 O ATOM 231 OE2 GLU A 15 -1.140 3.640 3.027 1.00 0.00 O ATOM 0 H GLU A 15 -5.665 4.656 1.090 1.00 0.00 H new ATOM 0 HA GLU A 15 -3.720 6.032 -0.532 1.00 0.00 H new ATOM 0 HB2 GLU A 15 -4.042 3.183 0.468 1.00 0.00 H new ATOM 0 HB3 GLU A 15 -2.722 3.669 -0.578 1.00 0.00 H new ATOM 0 HG2 GLU A 15 -1.907 5.248 1.077 1.00 0.00 H new ATOM 0 HG3 GLU A 15 -3.310 4.979 2.092 1.00 0.00 H new ATOM 238 N ARG A 16 -4.160 5.290 -2.808 1.00 0.00 N ATOM 239 CA ARG A 16 -4.471 4.957 -4.191 1.00 0.00 C ATOM 240 C ARG A 16 -3.478 3.926 -4.715 1.00 0.00 C ATOM 241 O ARG A 16 -2.271 4.068 -4.523 1.00 0.00 O ATOM 242 CB ARG A 16 -4.459 6.210 -5.071 1.00 0.00 C ATOM 243 CG ARG A 16 -4.659 5.913 -6.551 1.00 0.00 C ATOM 244 CD ARG A 16 -4.936 7.176 -7.349 1.00 0.00 C ATOM 245 NE ARG A 16 -6.221 7.780 -6.989 1.00 0.00 N ATOM 246 CZ ARG A 16 -6.743 8.847 -7.596 1.00 0.00 C ATOM 247 NH1 ARG A 16 -6.088 9.435 -8.594 1.00 0.00 N ATOM 248 NH2 ARG A 16 -7.921 9.323 -7.206 1.00 0.00 N ATOM 0 H ARG A 16 -3.453 6.017 -2.697 1.00 0.00 H new ATOM 0 HA ARG A 16 -5.474 4.531 -4.227 1.00 0.00 H new ATOM 0 HB2 ARG A 16 -5.244 6.888 -4.735 1.00 0.00 H new ATOM 0 HB3 ARG A 16 -3.510 6.729 -4.937 1.00 0.00 H new ATOM 0 HG2 ARG A 16 -3.770 5.421 -6.946 1.00 0.00 H new ATOM 0 HG3 ARG A 16 -5.489 5.217 -6.673 1.00 0.00 H new ATOM 0 HD2 ARG A 16 -4.136 7.896 -7.178 1.00 0.00 H new ATOM 0 HD3 ARG A 16 -4.931 6.941 -8.413 1.00 0.00 H new ATOM 0 HE ARG A 16 -6.750 7.358 -6.226 1.00 0.00 H new ATOM 0 HH11 ARG A 16 -5.185 9.070 -8.896 1.00 0.00 H new ATOM 0 HH12 ARG A 16 -6.489 10.251 -9.057 1.00 0.00 H new ATOM 0 HH21 ARG A 16 -8.426 8.872 -6.443 1.00 0.00 H new ATOM 0 HH22 ARG A 16 -8.320 10.139 -7.670 1.00 0.00 H new ATOM 262 N VAL A 17 -3.993 2.890 -5.366 1.00 0.00 N ATOM 263 CA VAL A 17 -3.156 1.827 -5.916 1.00 0.00 C ATOM 264 C VAL A 17 -2.132 2.382 -6.898 1.00 0.00 C ATOM 265 O VAL A 17 -2.477 3.060 -7.866 1.00 0.00 O ATOM 266 CB VAL A 17 -4.009 0.752 -6.627 1.00 0.00 C ATOM 267 CG1 VAL A 17 -3.137 -0.392 -7.124 1.00 0.00 C ATOM 268 CG2 VAL A 17 -5.098 0.232 -5.701 1.00 0.00 C ATOM 0 H VAL A 17 -4.992 2.762 -5.527 1.00 0.00 H new ATOM 0 HA VAL A 17 -2.633 1.369 -5.076 1.00 0.00 H new ATOM 0 HB VAL A 17 -4.485 1.215 -7.491 1.00 0.00 H new ATOM 0 HG11 VAL A 17 -3.760 -1.136 -7.621 1.00 0.00 H new ATOM 0 HG12 VAL A 17 -2.400 -0.008 -7.829 1.00 0.00 H new ATOM 0 HG13 VAL A 17 -2.626 -0.853 -6.279 1.00 0.00 H new ATOM 0 HG21 VAL A 17 -5.687 -0.524 -6.221 1.00 0.00 H new ATOM 0 HG22 VAL A 17 -4.642 -0.209 -4.815 1.00 0.00 H new ATOM 0 HG23 VAL A 17 -5.746 1.056 -5.403 1.00 0.00 H new ATOM 278 N ARG A 18 -0.874 2.074 -6.633 1.00 0.00 N ATOM 279 CA ARG A 18 0.226 2.509 -7.472 1.00 0.00 C ATOM 280 C ARG A 18 0.635 1.372 -8.392 1.00 0.00 C ATOM 281 O ARG A 18 1.015 1.582 -9.542 1.00 0.00 O ATOM 282 CB ARG A 18 1.411 2.936 -6.601 1.00 0.00 C ATOM 283 CG ARG A 18 2.620 3.420 -7.385 1.00 0.00 C ATOM 284 CD ARG A 18 2.344 4.740 -8.088 1.00 0.00 C ATOM 285 NE ARG A 18 3.545 5.282 -8.731 1.00 0.00 N ATOM 286 CZ ARG A 18 4.609 5.751 -8.069 1.00 0.00 C ATOM 287 NH1 ARG A 18 4.606 5.811 -6.738 1.00 0.00 N ATOM 288 NH2 ARG A 18 5.673 6.179 -8.743 1.00 0.00 N ATOM 0 H ARG A 18 -0.588 1.515 -5.829 1.00 0.00 H new ATOM 0 HA ARG A 18 -0.089 3.362 -8.072 1.00 0.00 H new ATOM 0 HB2 ARG A 18 1.086 3.731 -5.930 1.00 0.00 H new ATOM 0 HB3 ARG A 18 1.710 2.094 -5.977 1.00 0.00 H new ATOM 0 HG2 ARG A 18 3.468 3.538 -6.710 1.00 0.00 H new ATOM 0 HG3 ARG A 18 2.901 2.667 -8.122 1.00 0.00 H new ATOM 0 HD2 ARG A 18 1.566 4.596 -8.837 1.00 0.00 H new ATOM 0 HD3 ARG A 18 1.962 5.462 -7.366 1.00 0.00 H new ATOM 0 HE ARG A 18 3.571 5.303 -9.750 1.00 0.00 H new ATOM 0 HH11 ARG A 18 3.788 5.498 -6.215 1.00 0.00 H new ATOM 0 HH12 ARG A 18 5.422 6.170 -6.242 1.00 0.00 H new ATOM 0 HH21 ARG A 18 5.677 6.149 -9.763 1.00 0.00 H new ATOM 0 HH22 ARG A 18 6.485 6.537 -8.240 1.00 0.00 H new ATOM 302 N GLY A 19 0.555 0.167 -7.856 1.00 0.00 N ATOM 303 CA GLY A 19 0.913 -1.014 -8.609 1.00 0.00 C ATOM 304 C GLY A 19 1.136 -2.200 -7.703 1.00 0.00 C ATOM 305 O GLY A 19 0.641 -2.230 -6.582 1.00 0.00 O ATOM 0 H GLY A 19 0.245 -0.016 -6.902 1.00 0.00 H new ATOM 0 HA2 GLY A 19 0.123 -1.244 -9.324 1.00 0.00 H new ATOM 0 HA3 GLY A 19 1.818 -0.819 -9.185 1.00 0.00 H new ATOM 309 N THR A 20 1.891 -3.168 -8.179 1.00 0.00 N ATOM 310 CA THR A 20 2.192 -4.358 -7.400 1.00 0.00 C ATOM 311 C THR A 20 3.515 -4.200 -6.658 1.00 0.00 C ATOM 312 O THR A 20 4.462 -3.628 -7.193 1.00 0.00 O ATOM 313 CB THR A 20 2.260 -5.600 -8.303 1.00 0.00 C ATOM 314 OG1 THR A 20 3.010 -5.296 -9.487 1.00 0.00 O ATOM 315 CG2 THR A 20 0.865 -6.073 -8.684 1.00 0.00 C ATOM 0 H THR A 20 2.312 -3.156 -9.108 1.00 0.00 H new ATOM 0 HA THR A 20 1.389 -4.488 -6.674 1.00 0.00 H new ATOM 0 HB THR A 20 2.754 -6.400 -7.752 1.00 0.00 H new ATOM 0 HG1 THR A 20 3.053 -6.090 -10.060 1.00 0.00 H new ATOM 0 HG21 THR A 20 0.941 -6.953 -9.323 1.00 0.00 H new ATOM 0 HG22 THR A 20 0.308 -6.327 -7.782 1.00 0.00 H new ATOM 0 HG23 THR A 20 0.345 -5.279 -9.220 1.00 0.00 H new ATOM 323 N CYS A 21 3.583 -4.717 -5.439 1.00 0.00 N ATOM 324 CA CYS A 21 4.807 -4.635 -4.655 1.00 0.00 C ATOM 325 C CYS A 21 5.654 -5.858 -4.932 1.00 0.00 C ATOM 326 O CYS A 21 6.856 -5.776 -5.175 1.00 0.00 O ATOM 327 CB CYS A 21 4.489 -4.571 -3.164 1.00 0.00 C ATOM 328 SG CYS A 21 5.902 -4.072 -2.125 1.00 0.00 S ATOM 0 H CYS A 21 2.811 -5.194 -4.974 1.00 0.00 H new ATOM 0 HA CYS A 21 5.345 -3.730 -4.936 1.00 0.00 H new ATOM 0 HB2 CYS A 21 3.670 -3.869 -3.007 1.00 0.00 H new ATOM 0 HB3 CYS A 21 4.137 -5.549 -2.836 1.00 0.00 H new ATOM 333 N GLY A 22 4.989 -6.992 -4.897 1.00 0.00 N ATOM 334 CA GLY A 22 5.637 -8.250 -5.140 1.00 0.00 C ATOM 335 C GLY A 22 4.686 -9.392 -4.896 1.00 0.00 C ATOM 336 O GLY A 22 3.466 -9.222 -5.003 1.00 0.00 O ATOM 0 H GLY A 22 3.991 -7.062 -4.700 1.00 0.00 H new ATOM 0 HA2 GLY A 22 6.001 -8.286 -6.167 1.00 0.00 H new ATOM 0 HA3 GLY A 22 6.507 -8.349 -4.490 1.00 0.00 H new ATOM 340 N ILE A 23 5.234 -10.546 -4.557 1.00 0.00 N ATOM 341 CA ILE A 23 4.428 -11.724 -4.296 1.00 0.00 C ATOM 342 C ILE A 23 3.439 -11.478 -3.160 1.00 0.00 C ATOM 343 O ILE A 23 3.823 -11.401 -1.996 1.00 0.00 O ATOM 344 CB ILE A 23 5.310 -12.946 -3.952 1.00 0.00 C ATOM 345 CG1 ILE A 23 6.320 -13.211 -5.077 1.00 0.00 C ATOM 346 CG2 ILE A 23 4.451 -14.181 -3.705 1.00 0.00 C ATOM 347 CD1 ILE A 23 5.682 -13.467 -6.428 1.00 0.00 C ATOM 0 H ILE A 23 6.238 -10.692 -4.456 1.00 0.00 H new ATOM 0 HA ILE A 23 3.873 -11.936 -5.210 1.00 0.00 H new ATOM 0 HB ILE A 23 5.859 -12.724 -3.037 1.00 0.00 H new ATOM 0 HG12 ILE A 23 6.990 -12.355 -5.159 1.00 0.00 H new ATOM 0 HG13 ILE A 23 6.933 -14.071 -4.807 1.00 0.00 H new ATOM 0 HG21 ILE A 23 5.093 -15.029 -3.465 1.00 0.00 H new ATOM 0 HG22 ILE A 23 3.773 -13.992 -2.873 1.00 0.00 H new ATOM 0 HG23 ILE A 23 3.872 -14.407 -4.601 1.00 0.00 H new ATOM 0 HD11 ILE A 23 6.460 -13.646 -7.170 1.00 0.00 H new ATOM 0 HD12 ILE A 23 5.034 -14.341 -6.365 1.00 0.00 H new ATOM 0 HD13 ILE A 23 5.092 -12.599 -6.722 1.00 0.00 H new ATOM 359 N ARG A 24 2.163 -11.374 -3.531 1.00 0.00 N ATOM 360 CA ARG A 24 1.061 -11.162 -2.589 1.00 0.00 C ATOM 361 C ARG A 24 1.064 -9.774 -1.939 1.00 0.00 C ATOM 362 O ARG A 24 0.476 -9.604 -0.870 1.00 0.00 O ATOM 363 CB ARG A 24 1.087 -12.240 -1.494 1.00 0.00 C ATOM 364 CG ARG A 24 0.839 -13.649 -2.013 1.00 0.00 C ATOM 365 CD ARG A 24 -0.576 -13.811 -2.545 1.00 0.00 C ATOM 366 NE ARG A 24 -0.789 -15.111 -3.197 1.00 0.00 N ATOM 367 CZ ARG A 24 -0.733 -16.295 -2.575 1.00 0.00 C ATOM 368 NH1 ARG A 24 -0.467 -16.366 -1.272 1.00 0.00 N ATOM 369 NH2 ARG A 24 -0.944 -17.413 -3.263 1.00 0.00 N ATOM 0 H ARG A 24 1.861 -11.435 -4.503 1.00 0.00 H new ATOM 0 HA ARG A 24 0.145 -11.233 -3.176 1.00 0.00 H new ATOM 0 HB2 ARG A 24 2.055 -12.212 -0.993 1.00 0.00 H new ATOM 0 HB3 ARG A 24 0.333 -12.001 -0.744 1.00 0.00 H new ATOM 0 HG2 ARG A 24 1.554 -13.876 -2.804 1.00 0.00 H new ATOM 0 HG3 ARG A 24 1.011 -14.368 -1.212 1.00 0.00 H new ATOM 0 HD2 ARG A 24 -1.284 -13.700 -1.724 1.00 0.00 H new ATOM 0 HD3 ARG A 24 -0.786 -13.013 -3.257 1.00 0.00 H new ATOM 0 HE ARG A 24 -0.994 -15.111 -4.196 1.00 0.00 H new ATOM 0 HH11 ARG A 24 -0.303 -15.513 -0.738 1.00 0.00 H new ATOM 0 HH12 ARG A 24 -0.427 -17.274 -0.808 1.00 0.00 H new ATOM 0 HH21 ARG A 24 -1.148 -17.367 -4.261 1.00 0.00 H new ATOM 0 HH22 ARG A 24 -0.902 -18.317 -2.792 1.00 0.00 H new ATOM 383 N PHE A 25 1.685 -8.772 -2.567 1.00 0.00 N ATOM 384 CA PHE A 25 1.685 -7.437 -1.985 1.00 0.00 C ATOM 385 C PHE A 25 1.355 -6.387 -3.015 1.00 0.00 C ATOM 386 O PHE A 25 1.856 -6.404 -4.141 1.00 0.00 O ATOM 387 CB PHE A 25 3.008 -7.124 -1.292 1.00 0.00 C ATOM 388 CG PHE A 25 3.145 -7.859 0.009 1.00 0.00 C ATOM 389 CD1 PHE A 25 3.655 -9.146 0.050 1.00 0.00 C ATOM 390 CD2 PHE A 25 2.727 -7.272 1.192 1.00 0.00 C ATOM 391 CE1 PHE A 25 3.747 -9.833 1.244 1.00 0.00 C ATOM 392 CE2 PHE A 25 2.810 -7.955 2.388 1.00 0.00 C ATOM 393 CZ PHE A 25 3.320 -9.237 2.414 1.00 0.00 C ATOM 0 H PHE A 25 2.180 -8.859 -3.454 1.00 0.00 H new ATOM 0 HA PHE A 25 0.903 -7.419 -1.226 1.00 0.00 H new ATOM 0 HB2 PHE A 25 3.835 -7.392 -1.950 1.00 0.00 H new ATOM 0 HB3 PHE A 25 3.079 -6.051 -1.112 1.00 0.00 H new ATOM 0 HD1 PHE A 25 3.985 -9.618 -0.864 1.00 0.00 H new ATOM 0 HD2 PHE A 25 2.331 -6.267 1.178 1.00 0.00 H new ATOM 0 HE1 PHE A 25 4.152 -10.834 1.263 1.00 0.00 H new ATOM 0 HE2 PHE A 25 2.476 -7.487 3.302 1.00 0.00 H new ATOM 0 HZ PHE A 25 3.385 -9.774 3.349 1.00 0.00 H new ATOM 403 N LEU A 26 0.505 -5.479 -2.600 1.00 0.00 N ATOM 404 CA LEU A 26 0.058 -4.389 -3.426 1.00 0.00 C ATOM 405 C LEU A 26 0.756 -3.125 -2.975 1.00 0.00 C ATOM 406 O LEU A 26 0.998 -2.930 -1.792 1.00 0.00 O ATOM 407 CB LEU A 26 -1.460 -4.257 -3.314 1.00 0.00 C ATOM 408 CG LEU A 26 -2.116 -3.231 -4.229 1.00 0.00 C ATOM 409 CD1 LEU A 26 -1.969 -3.642 -5.686 1.00 0.00 C ATOM 410 CD2 LEU A 26 -3.585 -3.064 -3.871 1.00 0.00 C ATOM 0 H LEU A 26 0.100 -5.479 -1.664 1.00 0.00 H new ATOM 0 HA LEU A 26 0.303 -4.571 -4.472 1.00 0.00 H new ATOM 0 HB2 LEU A 26 -1.904 -5.231 -3.518 1.00 0.00 H new ATOM 0 HB3 LEU A 26 -1.707 -4.004 -2.283 1.00 0.00 H new ATOM 0 HG LEU A 26 -1.613 -2.274 -4.089 1.00 0.00 H new ATOM 0 HD11 LEU A 26 -2.444 -2.897 -6.324 1.00 0.00 H new ATOM 0 HD12 LEU A 26 -0.911 -3.715 -5.939 1.00 0.00 H new ATOM 0 HD13 LEU A 26 -2.446 -4.610 -5.841 1.00 0.00 H new ATOM 0 HD21 LEU A 26 -4.040 -2.328 -4.534 1.00 0.00 H new ATOM 0 HD22 LEU A 26 -4.098 -4.019 -3.984 1.00 0.00 H new ATOM 0 HD23 LEU A 26 -3.672 -2.725 -2.839 1.00 0.00 H new ATOM 422 N TYR A 27 1.092 -2.289 -3.914 1.00 0.00 N ATOM 423 CA TYR A 27 1.783 -1.048 -3.621 1.00 0.00 C ATOM 424 C TYR A 27 0.815 0.111 -3.787 1.00 0.00 C ATOM 425 O TYR A 27 0.357 0.392 -4.896 1.00 0.00 O ATOM 426 CB TYR A 27 2.970 -0.902 -4.571 1.00 0.00 C ATOM 427 CG TYR A 27 3.957 0.187 -4.216 1.00 0.00 C ATOM 428 CD1 TYR A 27 4.429 0.338 -2.920 1.00 0.00 C ATOM 429 CD2 TYR A 27 4.434 1.052 -5.193 1.00 0.00 C ATOM 430 CE1 TYR A 27 5.345 1.323 -2.605 1.00 0.00 C ATOM 431 CE2 TYR A 27 5.351 2.037 -4.887 1.00 0.00 C ATOM 432 CZ TYR A 27 5.804 2.168 -3.593 1.00 0.00 C ATOM 433 OH TYR A 27 6.715 3.152 -3.285 1.00 0.00 O ATOM 0 H TYR A 27 0.900 -2.439 -4.904 1.00 0.00 H new ATOM 0 HA TYR A 27 2.153 -1.051 -2.596 1.00 0.00 H new ATOM 0 HB2 TYR A 27 3.502 -1.853 -4.609 1.00 0.00 H new ATOM 0 HB3 TYR A 27 2.589 -0.710 -5.574 1.00 0.00 H new ATOM 0 HD1 TYR A 27 4.075 -0.325 -2.145 1.00 0.00 H new ATOM 0 HD2 TYR A 27 4.081 0.952 -6.209 1.00 0.00 H new ATOM 0 HE1 TYR A 27 5.700 1.431 -1.591 1.00 0.00 H new ATOM 0 HE2 TYR A 27 5.711 2.702 -5.658 1.00 0.00 H new ATOM 0 HH TYR A 27 6.936 3.659 -4.094 1.00 0.00 H new ATOM 443 N CYS A 28 0.487 0.756 -2.689 1.00 0.00 N ATOM 444 CA CYS A 28 -0.457 1.865 -2.722 1.00 0.00 C ATOM 445 C CYS A 28 0.172 3.153 -2.215 1.00 0.00 C ATOM 446 O CYS A 28 0.878 3.162 -1.210 1.00 0.00 O ATOM 447 CB CYS A 28 -1.690 1.539 -1.880 1.00 0.00 C ATOM 448 SG CYS A 28 -2.327 -0.149 -2.116 1.00 0.00 S ATOM 0 H CYS A 28 0.855 0.537 -1.763 1.00 0.00 H new ATOM 0 HA CYS A 28 -0.749 2.011 -3.762 1.00 0.00 H new ATOM 0 HB2 CYS A 28 -1.445 1.679 -0.827 1.00 0.00 H new ATOM 0 HB3 CYS A 28 -2.480 2.251 -2.121 1.00 0.00 H new ATOM 453 N CYS A 29 -0.114 4.245 -2.900 1.00 0.00 N ATOM 454 CA CYS A 29 0.388 5.548 -2.503 1.00 0.00 C ATOM 455 C CYS A 29 -0.731 6.315 -1.820 1.00 0.00 C ATOM 456 O CYS A 29 -1.781 6.556 -2.419 1.00 0.00 O ATOM 457 CB CYS A 29 0.907 6.323 -3.712 1.00 0.00 C ATOM 458 SG CYS A 29 2.270 5.492 -4.589 1.00 0.00 S ATOM 0 H CYS A 29 -0.695 4.255 -3.739 1.00 0.00 H new ATOM 0 HA CYS A 29 1.221 5.419 -1.812 1.00 0.00 H new ATOM 0 HB2 CYS A 29 0.084 6.485 -4.409 1.00 0.00 H new ATOM 0 HB3 CYS A 29 1.245 7.306 -3.384 1.00 0.00 H new ATOM 463 N PRO A 30 -0.543 6.680 -0.550 1.00 0.00 N ATOM 464 CA PRO A 30 -1.553 7.395 0.223 1.00 0.00 C ATOM 465 C PRO A 30 -1.876 8.758 -0.346 1.00 0.00 C ATOM 466 O PRO A 30 -0.985 9.532 -0.690 1.00 0.00 O ATOM 467 CB PRO A 30 -0.928 7.547 1.606 1.00 0.00 C ATOM 468 CG PRO A 30 0.150 6.524 1.651 1.00 0.00 C ATOM 469 CD PRO A 30 0.659 6.407 0.247 1.00 0.00 C ATOM 0 HA PRO A 30 -2.498 6.851 0.222 1.00 0.00 H new ATOM 0 HB2 PRO A 30 -0.527 8.550 1.751 1.00 0.00 H new ATOM 0 HB3 PRO A 30 -1.664 7.381 2.393 1.00 0.00 H new ATOM 0 HG2 PRO A 30 0.946 6.824 2.332 1.00 0.00 H new ATOM 0 HG3 PRO A 30 -0.232 5.568 2.009 1.00 0.00 H new ATOM 0 HD2 PRO A 30 1.453 7.125 0.042 1.00 0.00 H new ATOM 0 HD3 PRO A 30 1.064 5.416 0.044 1.00 0.00 H new ATOM 477 N ARG A 31 -3.160 9.056 -0.407 1.00 0.00 N ATOM 478 CA ARG A 31 -3.604 10.344 -0.889 1.00 0.00 C ATOM 479 C ARG A 31 -3.386 11.358 0.228 1.00 0.00 C ATOM 480 O ARG A 31 -3.121 12.538 -0.011 1.00 0.00 O ATOM 481 CB ARG A 31 -5.077 10.305 -1.313 1.00 0.00 C ATOM 482 CG ARG A 31 -5.633 11.652 -1.750 1.00 0.00 C ATOM 483 CD ARG A 31 -4.779 12.288 -2.837 1.00 0.00 C ATOM 484 NE ARG A 31 -5.305 13.587 -3.264 1.00 0.00 N ATOM 485 CZ ARG A 31 -4.669 14.411 -4.097 1.00 0.00 C ATOM 486 NH1 ARG A 31 -3.465 14.092 -4.560 1.00 0.00 N ATOM 487 NH2 ARG A 31 -5.231 15.564 -4.454 1.00 0.00 N ATOM 0 H ARG A 31 -3.910 8.423 -0.129 1.00 0.00 H new ATOM 0 HA ARG A 31 -3.032 10.626 -1.773 1.00 0.00 H new ATOM 0 HB2 ARG A 31 -5.190 9.594 -2.132 1.00 0.00 H new ATOM 0 HB3 ARG A 31 -5.674 9.930 -0.481 1.00 0.00 H new ATOM 0 HG2 ARG A 31 -6.652 11.524 -2.116 1.00 0.00 H new ATOM 0 HG3 ARG A 31 -5.685 12.320 -0.890 1.00 0.00 H new ATOM 0 HD2 ARG A 31 -3.760 12.413 -2.470 1.00 0.00 H new ATOM 0 HD3 ARG A 31 -4.728 11.618 -3.695 1.00 0.00 H new ATOM 0 HE ARG A 31 -6.213 13.879 -2.902 1.00 0.00 H new ATOM 0 HH11 ARG A 31 -3.026 13.216 -4.278 1.00 0.00 H new ATOM 0 HH12 ARG A 31 -2.980 14.724 -5.197 1.00 0.00 H new ATOM 0 HH21 ARG A 31 -6.149 15.818 -4.090 1.00 0.00 H new ATOM 0 HH22 ARG A 31 -4.743 16.193 -5.091 1.00 0.00 H new ATOM 501 N ARG A 32 -3.490 10.849 1.450 1.00 0.00 N ATOM 502 CA ARG A 32 -3.304 11.621 2.660 1.00 0.00 C ATOM 503 C ARG A 32 -3.313 10.655 3.838 1.00 0.00 C ATOM 504 O ARG A 32 -2.971 11.061 4.963 1.00 0.00 O ATOM 505 CB ARG A 32 -4.405 12.678 2.813 1.00 0.00 C ATOM 506 CG ARG A 32 -4.127 13.696 3.908 1.00 0.00 C ATOM 507 CD ARG A 32 -2.761 14.344 3.727 1.00 0.00 C ATOM 508 NE ARG A 32 -2.497 15.380 4.728 1.00 0.00 N ATOM 509 CZ ARG A 32 -3.080 16.581 4.739 1.00 0.00 C ATOM 510 NH1 ARG A 32 -3.929 16.922 3.772 1.00 0.00 N ATOM 511 NH2 ARG A 32 -2.801 17.447 5.710 1.00 0.00 N ATOM 512 OXT ARG A 32 -3.652 9.468 3.611 1.00 0.00 O ATOM 0 H ARG A 32 -3.710 9.869 1.624 1.00 0.00 H new ATOM 0 HA ARG A 32 -2.354 12.154 2.619 1.00 0.00 H new ATOM 0 HB2 ARG A 32 -4.528 13.202 1.865 1.00 0.00 H new ATOM 0 HB3 ARG A 32 -5.350 12.178 3.026 1.00 0.00 H new ATOM 0 HG2 ARG A 32 -4.900 14.464 3.898 1.00 0.00 H new ATOM 0 HG3 ARG A 32 -4.174 13.208 4.882 1.00 0.00 H new ATOM 0 HD2 ARG A 32 -1.988 13.578 3.788 1.00 0.00 H new ATOM 0 HD3 ARG A 32 -2.699 14.781 2.730 1.00 0.00 H new ATOM 0 HE ARG A 32 -1.824 15.170 5.465 1.00 0.00 H new ATOM 0 HH11 ARG A 32 -4.136 16.265 3.020 1.00 0.00 H new ATOM 0 HH12 ARG A 32 -4.373 17.840 3.783 1.00 0.00 H new ATOM 0 HH21 ARG A 32 -2.142 17.193 6.446 1.00 0.00 H new ATOM 0 HH22 ARG A 32 -3.246 18.365 5.718 1.00 0.00 H new TER 526 ARG A 32