USER MOD reduce.3.24.130724 H: found=0, std=0, add=245, rem=0, adj=10 USER MOD reduce.3.24.130724 removed 242 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 ALA N :NH3+ 170:sc= 0 (180deg=-0.0977) USER MOD Single : A 2 SER OG : rot 180:sc= 0 USER MOD Single : A 4 GLN : amide:sc= -0.516 K(o=-0.52,f=0) USER MOD Single : A 5 GLN : amide:sc= -1.45! K(o=-1.4!,f=-0.095) USER MOD Single : A 7 LYS NZ :NH3+ 165:sc= -0.0334 (180deg=-0.299) USER MOD Single : A 8 TYR OH : rot 180:sc= 0 USER MOD Single : A 10 TYR OH : rot -135:sc= 1.22 USER MOD Single : A 12 GLN : amide:sc= -0.253 X(o=-0.25,f=-0.054) USER MOD Single : A 14 ASN : amide:sc= -0.416 X(o=-0.42,f=0) USER MOD Single : A 16 ASN : amide:sc= -0.956 K(o=-0.96,f=-0.0005) USER MOD Single : A 17 LYS NZ :NH3+ 169:sc= -0.0211 (180deg=-0.184) USER MOD Single : A 22 GLN : amide:sc= -2.65! C(o=-2.6!,f=-1.9!) USER MOD Single : A 24 TYR OH : rot 180:sc= 0 USER MOD Single : A 25 GLN : amide:sc=-0.00581 K(o=-0.0058,f=-0.57) USER MOD Single : A 26 MET CE :methyl 144:sc= -0.254 (180deg=-1.39) USER MOD Single : A 28 SER OG : rot -85:sc= -2.01! USER MOD Single : A 33 SER OG : rot 52:sc= -2.07! USER MOD ----------------------------------------------------------------- ATOM 1 N ALA A 1 -15.799 2.447 2.881 1.00 0.00 N ATOM 2 CA ALA A 1 -16.639 3.479 2.234 1.00 0.00 C ATOM 3 C ALA A 1 -15.801 4.695 1.847 1.00 0.00 C ATOM 4 O ALA A 1 -16.249 5.837 1.961 1.00 0.00 O ATOM 5 CB ALA A 1 -17.773 3.890 3.158 1.00 0.00 C ATOM 0 H1 ALA A 1 -16.408 1.708 3.286 1.00 0.00 H new ATOM 0 H2 ALA A 1 -15.164 2.024 2.175 1.00 0.00 H new ATOM 0 H3 ALA A 1 -15.234 2.883 3.637 1.00 0.00 H new ATOM 0 HA ALA A 1 -17.064 3.055 1.325 1.00 0.00 H new ATOM 0 HB1 ALA A 1 -18.383 4.650 2.670 1.00 0.00 H new ATOM 0 HB2 ALA A 1 -18.390 3.021 3.386 1.00 0.00 H new ATOM 0 HB3 ALA A 1 -17.361 4.295 4.082 1.00 0.00 H new ATOM 10 N SER A 2 -14.590 4.443 1.374 1.00 0.00 N ATOM 11 CA SER A 2 -13.664 5.513 1.025 1.00 0.00 C ATOM 12 C SER A 2 -12.576 4.964 0.103 1.00 0.00 C ATOM 13 O SER A 2 -11.437 4.780 0.525 1.00 0.00 O ATOM 14 CB SER A 2 -13.032 6.111 2.298 1.00 0.00 C ATOM 15 OG SER A 2 -12.343 7.318 2.011 1.00 0.00 O ATOM 0 H SER A 2 -14.223 3.503 1.222 1.00 0.00 H new ATOM 0 HA SER A 2 -14.209 6.303 0.508 1.00 0.00 H new ATOM 0 HB2 SER A 2 -13.809 6.300 3.039 1.00 0.00 H new ATOM 0 HB3 SER A 2 -12.342 5.391 2.737 1.00 0.00 H new ATOM 0 HG SER A 2 -11.953 7.676 2.836 1.00 0.00 H new ATOM 21 N PRO A 3 -12.915 4.678 -1.172 1.00 0.00 N ATOM 22 CA PRO A 3 -11.966 4.098 -2.139 1.00 0.00 C ATOM 23 C PRO A 3 -10.655 4.881 -2.239 1.00 0.00 C ATOM 24 O PRO A 3 -9.604 4.313 -2.541 1.00 0.00 O ATOM 25 CB PRO A 3 -12.728 4.160 -3.464 1.00 0.00 C ATOM 26 CG PRO A 3 -14.157 4.097 -3.069 1.00 0.00 C ATOM 27 CD PRO A 3 -14.254 4.871 -1.772 1.00 0.00 C ATOM 0 HA PRO A 3 -11.663 3.093 -1.846 1.00 0.00 H new ATOM 0 HB2 PRO A 3 -12.506 5.078 -4.008 1.00 0.00 H new ATOM 0 HB3 PRO A 3 -12.459 3.330 -4.117 1.00 0.00 H new ATOM 0 HG2 PRO A 3 -14.796 4.535 -3.836 1.00 0.00 H new ATOM 0 HG3 PRO A 3 -14.482 3.065 -2.935 1.00 0.00 H new ATOM 0 HD2 PRO A 3 -14.471 5.925 -1.946 1.00 0.00 H new ATOM 0 HD3 PRO A 3 -15.045 4.485 -1.129 1.00 0.00 H new ATOM 35 N GLN A 4 -10.722 6.181 -1.977 1.00 0.00 N ATOM 36 CA GLN A 4 -9.540 7.034 -2.022 1.00 0.00 C ATOM 37 C GLN A 4 -8.487 6.591 -1.003 1.00 0.00 C ATOM 38 O GLN A 4 -7.288 6.735 -1.244 1.00 0.00 O ATOM 39 CB GLN A 4 -9.904 8.513 -1.798 1.00 0.00 C ATOM 40 CG GLN A 4 -10.425 8.843 -0.398 1.00 0.00 C ATOM 41 CD GLN A 4 -10.484 10.338 -0.133 1.00 0.00 C ATOM 42 OE1 GLN A 4 -10.324 10.782 1.004 1.00 0.00 O ATOM 43 NE2 GLN A 4 -10.725 11.126 -1.172 1.00 0.00 N ATOM 0 H GLN A 4 -11.584 6.668 -1.731 1.00 0.00 H new ATOM 0 HA GLN A 4 -9.114 6.932 -3.020 1.00 0.00 H new ATOM 0 HB2 GLN A 4 -9.022 9.123 -1.995 1.00 0.00 H new ATOM 0 HB3 GLN A 4 -10.660 8.801 -2.528 1.00 0.00 H new ATOM 0 HG2 GLN A 4 -11.421 8.417 -0.275 1.00 0.00 H new ATOM 0 HG3 GLN A 4 -9.782 8.371 0.345 1.00 0.00 H new ATOM 0 HE21 GLN A 4 -10.852 10.722 -2.100 1.00 0.00 H new ATOM 0 HE22 GLN A 4 -10.783 12.136 -1.043 1.00 0.00 H new ATOM 52 N GLN A 5 -8.927 6.029 0.118 1.00 0.00 N ATOM 53 CA GLN A 5 -7.997 5.620 1.165 1.00 0.00 C ATOM 54 C GLN A 5 -7.235 4.368 0.746 1.00 0.00 C ATOM 55 O GLN A 5 -6.112 4.127 1.193 1.00 0.00 O ATOM 56 CB GLN A 5 -8.704 5.390 2.506 1.00 0.00 C ATOM 57 CG GLN A 5 -9.414 4.049 2.627 1.00 0.00 C ATOM 58 CD GLN A 5 -9.974 3.810 4.016 1.00 0.00 C ATOM 59 OE1 GLN A 5 -10.990 3.132 4.178 1.00 0.00 O ATOM 60 NE2 GLN A 5 -9.313 4.353 5.031 1.00 0.00 N ATOM 0 H GLN A 5 -9.909 5.848 0.324 1.00 0.00 H new ATOM 0 HA GLN A 5 -7.289 6.437 1.304 1.00 0.00 H new ATOM 0 HB2 GLN A 5 -7.970 5.471 3.307 1.00 0.00 H new ATOM 0 HB3 GLN A 5 -9.432 6.187 2.659 1.00 0.00 H new ATOM 0 HG2 GLN A 5 -10.225 4.004 1.900 1.00 0.00 H new ATOM 0 HG3 GLN A 5 -8.717 3.249 2.377 1.00 0.00 H new ATOM 0 HE21 GLN A 5 -8.475 4.908 4.856 1.00 0.00 H new ATOM 0 HE22 GLN A 5 -9.643 4.215 5.986 1.00 0.00 H new ATOM 69 N ALA A 6 -7.852 3.575 -0.117 1.00 0.00 N ATOM 70 CA ALA A 6 -7.194 2.403 -0.677 1.00 0.00 C ATOM 71 C ALA A 6 -6.018 2.839 -1.533 1.00 0.00 C ATOM 72 O ALA A 6 -4.937 2.255 -1.463 1.00 0.00 O ATOM 73 CB ALA A 6 -8.169 1.559 -1.490 1.00 0.00 C ATOM 0 H ALA A 6 -8.807 3.721 -0.445 1.00 0.00 H new ATOM 0 HA ALA A 6 -6.829 1.784 0.143 1.00 0.00 H new ATOM 0 HB1 ALA A 6 -7.649 0.691 -1.895 1.00 0.00 H new ATOM 0 HB2 ALA A 6 -8.985 1.226 -0.848 1.00 0.00 H new ATOM 0 HB3 ALA A 6 -8.572 2.156 -2.309 1.00 0.00 H new ATOM 79 N LYS A 7 -6.224 3.899 -2.306 1.00 0.00 N ATOM 80 CA LYS A 7 -5.173 4.441 -3.152 1.00 0.00 C ATOM 81 C LYS A 7 -4.031 4.981 -2.293 1.00 0.00 C ATOM 82 O LYS A 7 -2.868 4.926 -2.686 1.00 0.00 O ATOM 83 CB LYS A 7 -5.733 5.545 -4.055 1.00 0.00 C ATOM 84 CG LYS A 7 -4.736 6.064 -5.079 1.00 0.00 C ATOM 85 CD LYS A 7 -4.297 4.959 -6.045 1.00 0.00 C ATOM 86 CE LYS A 7 -3.253 5.462 -7.039 1.00 0.00 C ATOM 87 NZ LYS A 7 -2.027 5.946 -6.351 1.00 0.00 N ATOM 0 H LYS A 7 -7.111 4.399 -2.363 1.00 0.00 H new ATOM 0 HA LYS A 7 -4.785 3.642 -3.784 1.00 0.00 H new ATOM 0 HB2 LYS A 7 -6.611 5.164 -4.577 1.00 0.00 H new ATOM 0 HB3 LYS A 7 -6.067 6.376 -3.433 1.00 0.00 H new ATOM 0 HG2 LYS A 7 -5.184 6.884 -5.641 1.00 0.00 H new ATOM 0 HG3 LYS A 7 -3.863 6.468 -4.566 1.00 0.00 H new ATOM 0 HD2 LYS A 7 -3.888 4.122 -5.479 1.00 0.00 H new ATOM 0 HD3 LYS A 7 -5.165 4.583 -6.587 1.00 0.00 H new ATOM 0 HE2 LYS A 7 -2.991 4.660 -7.728 1.00 0.00 H new ATOM 0 HE3 LYS A 7 -3.678 6.269 -7.636 1.00 0.00 H new ATOM 0 HZ1 LYS A 7 -1.255 6.039 -7.042 1.00 0.00 H new ATOM 0 HZ2 LYS A 7 -2.216 6.872 -5.916 1.00 0.00 H new ATOM 0 HZ3 LYS A 7 -1.752 5.266 -5.614 1.00 0.00 H new ATOM 101 N TYR A 8 -4.379 5.486 -1.113 1.00 0.00 N ATOM 102 CA TYR A 8 -3.392 5.979 -0.155 1.00 0.00 C ATOM 103 C TYR A 8 -2.507 4.836 0.320 1.00 0.00 C ATOM 104 O TYR A 8 -1.283 4.963 0.371 1.00 0.00 O ATOM 105 CB TYR A 8 -4.100 6.625 1.043 1.00 0.00 C ATOM 106 CG TYR A 8 -3.176 7.279 2.044 1.00 0.00 C ATOM 107 CD1 TYR A 8 -2.796 8.600 1.890 1.00 0.00 C ATOM 108 CD2 TYR A 8 -2.701 6.583 3.149 1.00 0.00 C ATOM 109 CE1 TYR A 8 -1.967 9.214 2.805 1.00 0.00 C ATOM 110 CE2 TYR A 8 -1.868 7.189 4.068 1.00 0.00 C ATOM 111 CZ TYR A 8 -1.505 8.506 3.891 1.00 0.00 C ATOM 112 OH TYR A 8 -0.681 9.121 4.807 1.00 0.00 O ATOM 0 H TYR A 8 -5.345 5.565 -0.795 1.00 0.00 H new ATOM 0 HA TYR A 8 -2.769 6.727 -0.645 1.00 0.00 H new ATOM 0 HB2 TYR A 8 -4.801 7.373 0.673 1.00 0.00 H new ATOM 0 HB3 TYR A 8 -4.687 5.863 1.555 1.00 0.00 H new ATOM 0 HD1 TYR A 8 -3.155 9.160 1.039 1.00 0.00 H new ATOM 0 HD2 TYR A 8 -2.988 5.552 3.291 1.00 0.00 H new ATOM 0 HE1 TYR A 8 -1.681 10.247 2.670 1.00 0.00 H new ATOM 0 HE2 TYR A 8 -1.503 6.634 4.920 1.00 0.00 H new ATOM 0 HH TYR A 8 -0.445 8.484 5.514 1.00 0.00 H new ATOM 122 N CYS A 9 -3.138 3.715 0.646 1.00 0.00 N ATOM 123 CA CYS A 9 -2.423 2.546 1.141 1.00 0.00 C ATOM 124 C CYS A 9 -1.428 2.053 0.097 1.00 0.00 C ATOM 125 O CYS A 9 -0.247 1.871 0.393 1.00 0.00 O ATOM 126 CB CYS A 9 -3.414 1.431 1.517 1.00 0.00 C ATOM 127 SG CYS A 9 -2.648 -0.014 2.324 1.00 0.00 S ATOM 0 H CYS A 9 -4.148 3.591 0.576 1.00 0.00 H new ATOM 0 HA CYS A 9 -1.870 2.828 2.037 1.00 0.00 H new ATOM 0 HB2 CYS A 9 -4.172 1.844 2.182 1.00 0.00 H new ATOM 0 HB3 CYS A 9 -3.928 1.099 0.615 1.00 0.00 H new ATOM 132 N TYR A 10 -1.900 1.884 -1.134 1.00 0.00 N ATOM 133 CA TYR A 10 -1.057 1.382 -2.214 1.00 0.00 C ATOM 134 C TYR A 10 -0.008 2.407 -2.641 1.00 0.00 C ATOM 135 O TYR A 10 1.064 2.044 -3.122 1.00 0.00 O ATOM 136 CB TYR A 10 -1.900 0.990 -3.432 1.00 0.00 C ATOM 137 CG TYR A 10 -2.728 -0.259 -3.244 1.00 0.00 C ATOM 138 CD1 TYR A 10 -2.151 -1.514 -3.366 1.00 0.00 C ATOM 139 CD2 TYR A 10 -4.088 -0.187 -2.974 1.00 0.00 C ATOM 140 CE1 TYR A 10 -2.903 -2.661 -3.225 1.00 0.00 C ATOM 141 CE2 TYR A 10 -4.845 -1.327 -2.826 1.00 0.00 C ATOM 142 CZ TYR A 10 -4.251 -2.562 -2.955 1.00 0.00 C ATOM 143 OH TYR A 10 -5.016 -3.698 -2.819 1.00 0.00 O ATOM 0 H TYR A 10 -2.861 2.087 -1.409 1.00 0.00 H new ATOM 0 HA TYR A 10 -0.545 0.501 -1.826 1.00 0.00 H new ATOM 0 HB2 TYR A 10 -2.565 1.818 -3.680 1.00 0.00 H new ATOM 0 HB3 TYR A 10 -1.238 0.847 -4.286 1.00 0.00 H new ATOM 0 HD1 TYR A 10 -1.094 -1.594 -3.575 1.00 0.00 H new ATOM 0 HD2 TYR A 10 -4.560 0.780 -2.878 1.00 0.00 H new ATOM 0 HE1 TYR A 10 -2.439 -3.631 -3.325 1.00 0.00 H new ATOM 0 HE2 TYR A 10 -5.900 -1.253 -2.610 1.00 0.00 H new ATOM 0 HH TYR A 10 -5.851 -3.592 -3.320 1.00 0.00 H new ATOM 153 N GLU A 11 -0.311 3.687 -2.492 1.00 0.00 N ATOM 154 CA GLU A 11 0.644 4.710 -2.874 1.00 0.00 C ATOM 155 C GLU A 11 1.763 4.819 -1.843 1.00 0.00 C ATOM 156 O GLU A 11 2.940 4.711 -2.187 1.00 0.00 O ATOM 157 CB GLU A 11 -0.033 6.076 -3.073 1.00 0.00 C ATOM 158 CG GLU A 11 0.916 7.140 -3.603 1.00 0.00 C ATOM 159 CD GLU A 11 0.261 8.496 -3.728 1.00 0.00 C ATOM 160 OE1 GLU A 11 0.284 9.265 -2.750 1.00 0.00 O ATOM 161 OE2 GLU A 11 -0.272 8.806 -4.812 1.00 0.00 O ATOM 0 H GLU A 11 -1.193 4.036 -2.117 1.00 0.00 H new ATOM 0 HA GLU A 11 1.075 4.410 -3.829 1.00 0.00 H new ATOM 0 HB2 GLU A 11 -0.867 5.964 -3.766 1.00 0.00 H new ATOM 0 HB3 GLU A 11 -0.450 6.410 -2.123 1.00 0.00 H new ATOM 0 HG2 GLU A 11 1.777 7.217 -2.939 1.00 0.00 H new ATOM 0 HG3 GLU A 11 1.293 6.832 -4.578 1.00 0.00 H new ATOM 168 N GLN A 12 1.399 4.985 -0.575 1.00 0.00 N ATOM 169 CA GLN A 12 2.377 5.289 0.459 1.00 0.00 C ATOM 170 C GLN A 12 3.177 4.058 0.867 1.00 0.00 C ATOM 171 O GLN A 12 4.285 4.188 1.383 1.00 0.00 O ATOM 172 CB GLN A 12 1.700 5.911 1.679 1.00 0.00 C ATOM 173 CG GLN A 12 0.998 7.217 1.370 1.00 0.00 C ATOM 174 CD GLN A 12 1.955 8.323 0.978 1.00 0.00 C ATOM 175 OE1 GLN A 12 2.458 9.059 1.823 1.00 0.00 O ATOM 176 NE2 GLN A 12 2.201 8.456 -0.311 1.00 0.00 N ATOM 0 H GLN A 12 0.438 4.914 -0.242 1.00 0.00 H new ATOM 0 HA GLN A 12 3.076 6.011 0.037 1.00 0.00 H new ATOM 0 HB2 GLN A 12 0.976 5.204 2.085 1.00 0.00 H new ATOM 0 HB3 GLN A 12 2.448 6.082 2.454 1.00 0.00 H new ATOM 0 HG2 GLN A 12 0.285 7.058 0.562 1.00 0.00 H new ATOM 0 HG3 GLN A 12 0.426 7.531 2.243 1.00 0.00 H new ATOM 0 HE21 GLN A 12 1.763 7.824 -0.982 1.00 0.00 H new ATOM 0 HE22 GLN A 12 2.829 9.191 -0.637 1.00 0.00 H new ATOM 185 N CYS A 13 2.636 2.869 0.615 1.00 0.00 N ATOM 186 CA CYS A 13 3.317 1.633 0.989 1.00 0.00 C ATOM 187 C CYS A 13 4.673 1.545 0.287 1.00 0.00 C ATOM 188 O CYS A 13 5.714 1.413 0.932 1.00 0.00 O ATOM 189 CB CYS A 13 2.442 0.411 0.645 1.00 0.00 C ATOM 190 SG CYS A 13 2.144 0.177 -1.137 1.00 0.00 S ATOM 0 H CYS A 13 1.735 2.735 0.157 1.00 0.00 H new ATOM 0 HA CYS A 13 3.486 1.637 2.066 1.00 0.00 H new ATOM 0 HB2 CYS A 13 2.919 -0.485 1.042 1.00 0.00 H new ATOM 0 HB3 CYS A 13 1.482 0.513 1.151 1.00 0.00 H new ATOM 195 N ASN A 14 4.658 1.654 -1.034 1.00 0.00 N ATOM 196 CA ASN A 14 5.891 1.600 -1.820 1.00 0.00 C ATOM 197 C ASN A 14 6.725 2.862 -1.601 1.00 0.00 C ATOM 198 O ASN A 14 7.954 2.823 -1.687 1.00 0.00 O ATOM 199 CB ASN A 14 5.588 1.414 -3.317 1.00 0.00 C ATOM 200 CG ASN A 14 6.837 1.136 -4.144 1.00 0.00 C ATOM 201 OD1 ASN A 14 6.957 1.608 -5.273 1.00 0.00 O ATOM 202 ND2 ASN A 14 7.759 0.347 -3.607 1.00 0.00 N ATOM 0 H ASN A 14 3.810 1.780 -1.587 1.00 0.00 H new ATOM 0 HA ASN A 14 6.465 0.738 -1.480 1.00 0.00 H new ATOM 0 HB2 ASN A 14 4.885 0.590 -3.441 1.00 0.00 H new ATOM 0 HB3 ASN A 14 5.098 2.310 -3.698 1.00 0.00 H new ATOM 0 HD21 ASN A 14 8.601 0.114 -4.134 1.00 0.00 H new ATOM 0 HD22 ASN A 14 7.626 -0.027 -2.667 1.00 0.00 H new ATOM 209 N VAL A 15 6.059 3.976 -1.302 1.00 0.00 N ATOM 210 CA VAL A 15 6.751 5.236 -1.065 1.00 0.00 C ATOM 211 C VAL A 15 7.597 5.158 0.202 1.00 0.00 C ATOM 212 O VAL A 15 8.749 5.590 0.206 1.00 0.00 O ATOM 213 CB VAL A 15 5.769 6.430 -0.973 1.00 0.00 C ATOM 214 CG1 VAL A 15 6.468 7.676 -0.445 1.00 0.00 C ATOM 215 CG2 VAL A 15 5.151 6.719 -2.336 1.00 0.00 C ATOM 0 H VAL A 15 5.044 4.029 -1.219 1.00 0.00 H new ATOM 0 HA VAL A 15 7.404 5.407 -1.921 1.00 0.00 H new ATOM 0 HB VAL A 15 4.978 6.158 -0.275 1.00 0.00 H new ATOM 0 HG11 VAL A 15 5.754 8.498 -0.391 1.00 0.00 H new ATOM 0 HG12 VAL A 15 6.867 7.476 0.549 1.00 0.00 H new ATOM 0 HG13 VAL A 15 7.284 7.947 -1.115 1.00 0.00 H new ATOM 0 HG21 VAL A 15 4.464 7.561 -2.253 1.00 0.00 H new ATOM 0 HG22 VAL A 15 5.939 6.963 -3.048 1.00 0.00 H new ATOM 0 HG23 VAL A 15 4.608 5.840 -2.683 1.00 0.00 H new ATOM 225 N ASN A 16 7.037 4.596 1.271 1.00 0.00 N ATOM 226 CA ASN A 16 7.804 4.411 2.498 1.00 0.00 C ATOM 227 C ASN A 16 8.928 3.419 2.236 1.00 0.00 C ATOM 228 O ASN A 16 10.086 3.818 2.082 1.00 0.00 O ATOM 229 CB ASN A 16 6.909 3.904 3.640 1.00 0.00 C ATOM 230 CG ASN A 16 5.820 4.889 4.032 1.00 0.00 C ATOM 231 OD1 ASN A 16 4.727 4.493 4.433 1.00 0.00 O ATOM 232 ND2 ASN A 16 6.111 6.176 3.940 1.00 0.00 N ATOM 0 H ASN A 16 6.073 4.267 1.313 1.00 0.00 H new ATOM 0 HA ASN A 16 8.219 5.372 2.802 1.00 0.00 H new ATOM 0 HB2 ASN A 16 6.448 2.963 3.340 1.00 0.00 H new ATOM 0 HB3 ASN A 16 7.529 3.692 4.511 1.00 0.00 H new ATOM 0 HD21 ASN A 16 5.418 6.876 4.206 1.00 0.00 H new ATOM 0 HD22 ASN A 16 7.028 6.469 3.603 1.00 0.00 H new ATOM 239 N LYS A 17 8.570 2.138 2.139 1.00 0.00 N ATOM 240 CA LYS A 17 9.464 1.108 1.622 1.00 0.00 C ATOM 241 C LYS A 17 8.817 -0.271 1.743 1.00 0.00 C ATOM 242 O LYS A 17 9.071 -0.990 2.711 1.00 0.00 O ATOM 243 CB LYS A 17 10.807 1.102 2.361 1.00 0.00 C ATOM 244 CG LYS A 17 11.846 0.198 1.711 1.00 0.00 C ATOM 245 CD LYS A 17 13.214 0.376 2.360 1.00 0.00 C ATOM 246 CE LYS A 17 14.253 -0.539 1.726 1.00 0.00 C ATOM 247 NZ LYS A 17 14.468 -0.223 0.286 1.00 0.00 N ATOM 0 H LYS A 17 7.653 1.788 2.417 1.00 0.00 H new ATOM 0 HA LYS A 17 9.648 1.337 0.572 1.00 0.00 H new ATOM 0 HB2 LYS A 17 11.196 2.119 2.403 1.00 0.00 H new ATOM 0 HB3 LYS A 17 10.647 0.779 3.390 1.00 0.00 H new ATOM 0 HG2 LYS A 17 11.532 -0.842 1.797 1.00 0.00 H new ATOM 0 HG3 LYS A 17 11.913 0.423 0.647 1.00 0.00 H new ATOM 0 HD2 LYS A 17 13.533 1.414 2.262 1.00 0.00 H new ATOM 0 HD3 LYS A 17 13.143 0.164 3.427 1.00 0.00 H new ATOM 0 HE2 LYS A 17 15.197 -0.444 2.263 1.00 0.00 H new ATOM 0 HE3 LYS A 17 13.933 -1.576 1.826 1.00 0.00 H new ATOM 0 HZ1 LYS A 17 15.305 -0.734 -0.060 1.00 0.00 H new ATOM 0 HZ2 LYS A 17 13.633 -0.514 -0.262 1.00 0.00 H new ATOM 0 HZ3 LYS A 17 14.616 0.800 0.173 1.00 0.00 H new ATOM 261 N VAL A 18 7.995 -0.660 0.772 1.00 0.00 N ATOM 262 CA VAL A 18 7.471 -2.021 0.742 1.00 0.00 C ATOM 263 C VAL A 18 7.336 -2.480 -0.709 1.00 0.00 C ATOM 264 O VAL A 18 7.036 -1.674 -1.596 1.00 0.00 O ATOM 265 CB VAL A 18 6.090 -2.181 1.466 1.00 0.00 C ATOM 266 CG1 VAL A 18 5.930 -1.202 2.627 1.00 0.00 C ATOM 267 CG2 VAL A 18 4.934 -2.063 0.488 1.00 0.00 C ATOM 0 H VAL A 18 7.682 -0.062 0.007 1.00 0.00 H new ATOM 0 HA VAL A 18 8.183 -2.640 1.287 1.00 0.00 H new ATOM 0 HB VAL A 18 6.071 -3.185 1.889 1.00 0.00 H new ATOM 0 HG11 VAL A 18 4.958 -1.351 3.097 1.00 0.00 H new ATOM 0 HG12 VAL A 18 6.718 -1.375 3.360 1.00 0.00 H new ATOM 0 HG13 VAL A 18 6.000 -0.180 2.254 1.00 0.00 H new ATOM 0 HG21 VAL A 18 3.991 -2.179 1.023 1.00 0.00 H new ATOM 0 HG22 VAL A 18 4.961 -1.084 0.009 1.00 0.00 H new ATOM 0 HG23 VAL A 18 5.018 -2.841 -0.271 1.00 0.00 H new ATOM 277 N PRO A 19 7.640 -3.754 -0.979 1.00 0.00 N ATOM 278 CA PRO A 19 7.361 -4.387 -2.273 1.00 0.00 C ATOM 279 C PRO A 19 5.860 -4.563 -2.506 1.00 0.00 C ATOM 280 O PRO A 19 5.096 -4.623 -1.539 1.00 0.00 O ATOM 281 CB PRO A 19 8.041 -5.760 -2.170 1.00 0.00 C ATOM 282 CG PRO A 19 8.958 -5.660 -1.000 1.00 0.00 C ATOM 283 CD PRO A 19 8.320 -4.675 -0.064 1.00 0.00 C ATOM 0 HA PRO A 19 7.725 -3.784 -3.105 1.00 0.00 H new ATOM 0 HB2 PRO A 19 7.306 -6.553 -2.027 1.00 0.00 H new ATOM 0 HB3 PRO A 19 8.591 -5.996 -3.081 1.00 0.00 H new ATOM 0 HG2 PRO A 19 9.086 -6.630 -0.519 1.00 0.00 H new ATOM 0 HG3 PRO A 19 9.948 -5.323 -1.307 1.00 0.00 H new ATOM 0 HD2 PRO A 19 7.620 -5.159 0.617 1.00 0.00 H new ATOM 0 HD3 PRO A 19 9.060 -4.162 0.550 1.00 0.00 H new ATOM 291 N PHE A 20 5.434 -4.639 -3.766 1.00 0.00 N ATOM 292 CA PHE A 20 4.004 -4.715 -4.091 1.00 0.00 C ATOM 293 C PHE A 20 3.303 -5.826 -3.304 1.00 0.00 C ATOM 294 O PHE A 20 2.211 -5.620 -2.768 1.00 0.00 O ATOM 295 CB PHE A 20 3.791 -4.932 -5.596 1.00 0.00 C ATOM 296 CG PHE A 20 2.345 -4.865 -6.009 1.00 0.00 C ATOM 297 CD1 PHE A 20 1.757 -3.646 -6.303 1.00 0.00 C ATOM 298 CD2 PHE A 20 1.576 -6.016 -6.101 1.00 0.00 C ATOM 299 CE1 PHE A 20 0.430 -3.574 -6.681 1.00 0.00 C ATOM 300 CE2 PHE A 20 0.248 -5.950 -6.477 1.00 0.00 C ATOM 301 CZ PHE A 20 -0.325 -4.728 -6.769 1.00 0.00 C ATOM 0 H PHE A 20 6.052 -4.650 -4.577 1.00 0.00 H new ATOM 0 HA PHE A 20 3.562 -3.761 -3.804 1.00 0.00 H new ATOM 0 HB2 PHE A 20 4.354 -4.179 -6.148 1.00 0.00 H new ATOM 0 HB3 PHE A 20 4.197 -5.904 -5.877 1.00 0.00 H new ATOM 0 HD1 PHE A 20 2.343 -2.741 -6.236 1.00 0.00 H new ATOM 0 HD2 PHE A 20 2.020 -6.974 -5.876 1.00 0.00 H new ATOM 0 HE1 PHE A 20 -0.017 -2.617 -6.907 1.00 0.00 H new ATOM 0 HE2 PHE A 20 -0.341 -6.853 -6.542 1.00 0.00 H new ATOM 0 HZ PHE A 20 -1.362 -4.674 -7.066 1.00 0.00 H new ATOM 311 N ASP A 21 3.942 -6.988 -3.213 1.00 0.00 N ATOM 312 CA ASP A 21 3.358 -8.141 -2.524 1.00 0.00 C ATOM 313 C ASP A 21 3.077 -7.828 -1.054 1.00 0.00 C ATOM 314 O ASP A 21 2.049 -8.239 -0.517 1.00 0.00 O ATOM 315 CB ASP A 21 4.269 -9.370 -2.632 1.00 0.00 C ATOM 316 CG ASP A 21 5.613 -9.174 -1.958 1.00 0.00 C ATOM 317 OD1 ASP A 21 6.504 -8.560 -2.575 1.00 0.00 O ATOM 318 OD2 ASP A 21 5.778 -9.632 -0.807 1.00 0.00 O ATOM 0 H ASP A 21 4.867 -7.160 -3.608 1.00 0.00 H new ATOM 0 HA ASP A 21 2.411 -8.364 -3.016 1.00 0.00 H new ATOM 0 HB2 ASP A 21 3.767 -10.228 -2.185 1.00 0.00 H new ATOM 0 HB3 ASP A 21 4.428 -9.606 -3.684 1.00 0.00 H new ATOM 323 N GLN A 22 3.985 -7.105 -0.405 1.00 0.00 N ATOM 324 CA GLN A 22 3.758 -6.677 0.968 1.00 0.00 C ATOM 325 C GLN A 22 2.646 -5.635 1.015 1.00 0.00 C ATOM 326 O GLN A 22 1.842 -5.608 1.948 1.00 0.00 O ATOM 327 CB GLN A 22 5.026 -6.098 1.600 1.00 0.00 C ATOM 328 CG GLN A 22 4.807 -5.644 3.035 1.00 0.00 C ATOM 329 CD GLN A 22 5.978 -4.876 3.614 1.00 0.00 C ATOM 330 OE1 GLN A 22 5.799 -3.999 4.460 1.00 0.00 O ATOM 331 NE2 GLN A 22 7.183 -5.205 3.180 1.00 0.00 N ATOM 0 H GLN A 22 4.875 -6.807 -0.804 1.00 0.00 H new ATOM 0 HA GLN A 22 3.466 -7.557 1.540 1.00 0.00 H new ATOM 0 HB2 GLN A 22 5.815 -6.849 1.577 1.00 0.00 H new ATOM 0 HB3 GLN A 22 5.372 -5.254 1.004 1.00 0.00 H new ATOM 0 HG2 GLN A 22 3.916 -5.018 3.077 1.00 0.00 H new ATOM 0 HG3 GLN A 22 4.612 -6.517 3.658 1.00 0.00 H new ATOM 0 HE21 GLN A 22 7.290 -5.937 2.478 1.00 0.00 H new ATOM 0 HE22 GLN A 22 8.006 -4.727 3.547 1.00 0.00 H new ATOM 340 N CYS A 23 2.601 -4.780 0.001 1.00 0.00 N ATOM 341 CA CYS A 23 1.561 -3.758 -0.076 1.00 0.00 C ATOM 342 C CYS A 23 0.200 -4.427 -0.177 1.00 0.00 C ATOM 343 O CYS A 23 -0.747 -4.037 0.505 1.00 0.00 O ATOM 344 CB CYS A 23 1.779 -2.816 -1.270 1.00 0.00 C ATOM 345 SG CYS A 23 0.766 -1.308 -1.213 1.00 0.00 S ATOM 0 H CYS A 23 3.265 -4.772 -0.773 1.00 0.00 H new ATOM 0 HA CYS A 23 1.608 -3.154 0.830 1.00 0.00 H new ATOM 0 HB2 CYS A 23 2.831 -2.534 -1.310 1.00 0.00 H new ATOM 0 HB3 CYS A 23 1.558 -3.356 -2.191 1.00 0.00 H new ATOM 350 N TYR A 24 0.117 -5.460 -1.007 1.00 0.00 N ATOM 351 CA TYR A 24 -1.106 -6.233 -1.145 1.00 0.00 C ATOM 352 C TYR A 24 -1.494 -6.850 0.196 1.00 0.00 C ATOM 353 O TYR A 24 -2.666 -6.920 0.535 1.00 0.00 O ATOM 354 CB TYR A 24 -0.937 -7.331 -2.204 1.00 0.00 C ATOM 355 CG TYR A 24 -2.240 -7.975 -2.611 1.00 0.00 C ATOM 356 CD1 TYR A 24 -2.968 -7.474 -3.679 1.00 0.00 C ATOM 357 CD2 TYR A 24 -2.745 -9.073 -1.927 1.00 0.00 C ATOM 358 CE1 TYR A 24 -4.162 -8.048 -4.056 1.00 0.00 C ATOM 359 CE2 TYR A 24 -3.940 -9.656 -2.300 1.00 0.00 C ATOM 360 CZ TYR A 24 -4.646 -9.139 -3.365 1.00 0.00 C ATOM 361 OH TYR A 24 -5.842 -9.712 -3.740 1.00 0.00 O ATOM 0 H TYR A 24 0.886 -5.780 -1.595 1.00 0.00 H new ATOM 0 HA TYR A 24 -1.902 -5.562 -1.469 1.00 0.00 H new ATOM 0 HB2 TYR A 24 -0.460 -6.905 -3.086 1.00 0.00 H new ATOM 0 HB3 TYR A 24 -0.266 -8.098 -1.818 1.00 0.00 H new ATOM 0 HD1 TYR A 24 -2.593 -6.620 -4.224 1.00 0.00 H new ATOM 0 HD2 TYR A 24 -2.195 -9.477 -1.090 1.00 0.00 H new ATOM 0 HE1 TYR A 24 -4.717 -7.645 -4.890 1.00 0.00 H new ATOM 0 HE2 TYR A 24 -4.319 -10.512 -1.761 1.00 0.00 H new ATOM 0 HH TYR A 24 -6.040 -10.471 -3.152 1.00 0.00 H new ATOM 371 N GLN A 25 -0.500 -7.258 0.975 1.00 0.00 N ATOM 372 CA GLN A 25 -0.747 -7.909 2.254 1.00 0.00 C ATOM 373 C GLN A 25 -1.410 -6.944 3.235 1.00 0.00 C ATOM 374 O GLN A 25 -2.264 -7.336 4.031 1.00 0.00 O ATOM 375 CB GLN A 25 0.573 -8.433 2.832 1.00 0.00 C ATOM 376 CG GLN A 25 0.430 -9.079 4.207 1.00 0.00 C ATOM 377 CD GLN A 25 -0.497 -10.280 4.205 1.00 0.00 C ATOM 378 OE1 GLN A 25 -0.620 -10.988 3.205 1.00 0.00 O ATOM 379 NE2 GLN A 25 -1.159 -10.513 5.326 1.00 0.00 N ATOM 0 H GLN A 25 0.487 -7.149 0.742 1.00 0.00 H new ATOM 0 HA GLN A 25 -1.425 -8.747 2.094 1.00 0.00 H new ATOM 0 HB2 GLN A 25 0.998 -9.161 2.141 1.00 0.00 H new ATOM 0 HB3 GLN A 25 1.282 -7.608 2.901 1.00 0.00 H new ATOM 0 HG2 GLN A 25 1.414 -9.387 4.562 1.00 0.00 H new ATOM 0 HG3 GLN A 25 0.054 -8.338 4.913 1.00 0.00 H new ATOM 0 HE21 GLN A 25 -1.028 -9.902 6.132 1.00 0.00 H new ATOM 0 HE22 GLN A 25 -1.800 -11.304 5.385 1.00 0.00 H new ATOM 388 N MET A 26 -1.017 -5.683 3.172 1.00 0.00 N ATOM 389 CA MET A 26 -1.548 -4.679 4.080 1.00 0.00 C ATOM 390 C MET A 26 -2.842 -4.062 3.547 1.00 0.00 C ATOM 391 O MET A 26 -3.799 -3.868 4.297 1.00 0.00 O ATOM 392 CB MET A 26 -0.496 -3.589 4.314 1.00 0.00 C ATOM 393 CG MET A 26 -1.008 -2.378 5.089 1.00 0.00 C ATOM 394 SD MET A 26 0.265 -1.123 5.343 1.00 0.00 S ATOM 395 CE MET A 26 0.790 -0.788 3.660 1.00 0.00 C ATOM 0 H MET A 26 -0.333 -5.330 2.503 1.00 0.00 H new ATOM 0 HA MET A 26 -1.785 -5.168 5.025 1.00 0.00 H new ATOM 0 HB2 MET A 26 0.345 -4.023 4.855 1.00 0.00 H new ATOM 0 HB3 MET A 26 -0.116 -3.254 3.349 1.00 0.00 H new ATOM 0 HG2 MET A 26 -1.846 -1.935 4.551 1.00 0.00 H new ATOM 0 HG3 MET A 26 -1.388 -2.705 6.057 1.00 0.00 H new ATOM 0 HE1 MET A 26 1.026 0.271 3.556 1.00 0.00 H new ATOM 0 HE2 MET A 26 1.675 -1.381 3.430 1.00 0.00 H new ATOM 0 HE3 MET A 26 -0.012 -1.050 2.970 1.00 0.00 H new ATOM 405 N CYS A 27 -2.877 -3.767 2.258 1.00 0.00 N ATOM 406 CA CYS A 27 -4.005 -3.045 1.679 1.00 0.00 C ATOM 407 C CYS A 27 -5.174 -3.961 1.297 1.00 0.00 C ATOM 408 O CYS A 27 -6.293 -3.481 1.119 1.00 0.00 O ATOM 409 CB CYS A 27 -3.549 -2.241 0.457 1.00 0.00 C ATOM 410 SG CYS A 27 -2.088 -1.197 0.772 1.00 0.00 S ATOM 0 H CYS A 27 -2.143 -4.013 1.593 1.00 0.00 H new ATOM 0 HA CYS A 27 -4.372 -2.370 2.452 1.00 0.00 H new ATOM 0 HB2 CYS A 27 -3.324 -2.930 -0.357 1.00 0.00 H new ATOM 0 HB3 CYS A 27 -4.371 -1.609 0.121 1.00 0.00 H new ATOM 415 N SER A 28 -4.939 -5.268 1.169 1.00 0.00 N ATOM 416 CA SER A 28 -6.024 -6.184 0.805 1.00 0.00 C ATOM 417 C SER A 28 -7.150 -6.219 1.857 1.00 0.00 C ATOM 418 O SER A 28 -8.322 -6.175 1.482 1.00 0.00 O ATOM 419 CB SER A 28 -5.509 -7.598 0.481 1.00 0.00 C ATOM 420 OG SER A 28 -4.752 -8.153 1.543 1.00 0.00 O ATOM 0 H SER A 28 -4.030 -5.709 1.308 1.00 0.00 H new ATOM 0 HA SER A 28 -6.461 -5.782 -0.109 1.00 0.00 H new ATOM 0 HB2 SER A 28 -6.356 -8.249 0.263 1.00 0.00 H new ATOM 0 HB3 SER A 28 -4.895 -7.561 -0.419 1.00 0.00 H new ATOM 0 HG SER A 28 -3.822 -7.852 1.474 1.00 0.00 H new ATOM 426 N PRO A 29 -6.849 -6.283 3.183 1.00 0.00 N ATOM 427 CA PRO A 29 -7.889 -6.200 4.224 1.00 0.00 C ATOM 428 C PRO A 29 -8.734 -4.929 4.110 1.00 0.00 C ATOM 429 O PRO A 29 -9.855 -4.859 4.616 1.00 0.00 O ATOM 430 CB PRO A 29 -7.092 -6.194 5.530 1.00 0.00 C ATOM 431 CG PRO A 29 -5.831 -6.910 5.193 1.00 0.00 C ATOM 432 CD PRO A 29 -5.514 -6.503 3.779 1.00 0.00 C ATOM 0 HA PRO A 29 -8.601 -7.022 4.147 1.00 0.00 H new ATOM 0 HB2 PRO A 29 -6.894 -5.178 5.871 1.00 0.00 H new ATOM 0 HB3 PRO A 29 -7.635 -6.698 6.330 1.00 0.00 H new ATOM 0 HG2 PRO A 29 -5.026 -6.632 5.873 1.00 0.00 H new ATOM 0 HG3 PRO A 29 -5.957 -7.990 5.273 1.00 0.00 H new ATOM 0 HD2 PRO A 29 -4.905 -5.600 3.747 1.00 0.00 H new ATOM 0 HD3 PRO A 29 -4.960 -7.279 3.251 1.00 0.00 H new ATOM 440 N LEU A 30 -8.185 -3.935 3.433 1.00 0.00 N ATOM 441 CA LEU A 30 -8.857 -2.663 3.236 1.00 0.00 C ATOM 442 C LEU A 30 -9.674 -2.701 1.944 1.00 0.00 C ATOM 443 O LEU A 30 -10.902 -2.613 1.966 1.00 0.00 O ATOM 444 CB LEU A 30 -7.807 -1.535 3.177 1.00 0.00 C ATOM 445 CG LEU A 30 -8.304 -0.099 3.442 1.00 0.00 C ATOM 446 CD1 LEU A 30 -7.136 0.872 3.352 1.00 0.00 C ATOM 447 CD2 LEU A 30 -9.397 0.314 2.463 1.00 0.00 C ATOM 0 H LEU A 30 -7.261 -3.987 3.005 1.00 0.00 H new ATOM 0 HA LEU A 30 -9.535 -2.474 4.068 1.00 0.00 H new ATOM 0 HB2 LEU A 30 -7.025 -1.762 3.902 1.00 0.00 H new ATOM 0 HB3 LEU A 30 -7.343 -1.556 2.191 1.00 0.00 H new ATOM 0 HG LEU A 30 -8.732 -0.074 4.444 1.00 0.00 H new ATOM 0 HD11 LEU A 30 -7.490 1.886 3.540 1.00 0.00 H new ATOM 0 HD12 LEU A 30 -6.384 0.607 4.095 1.00 0.00 H new ATOM 0 HD13 LEU A 30 -6.696 0.820 2.356 1.00 0.00 H new ATOM 0 HD21 LEU A 30 -9.719 1.332 2.685 1.00 0.00 H new ATOM 0 HD22 LEU A 30 -9.010 0.270 1.445 1.00 0.00 H new ATOM 0 HD23 LEU A 30 -10.246 -0.364 2.558 1.00 0.00 H new ATOM 459 N GLU A 31 -8.977 -2.858 0.828 1.00 0.00 N ATOM 460 CA GLU A 31 -9.584 -2.714 -0.493 1.00 0.00 C ATOM 461 C GLU A 31 -10.538 -3.869 -0.817 1.00 0.00 C ATOM 462 O GLU A 31 -11.729 -3.649 -1.046 1.00 0.00 O ATOM 463 CB GLU A 31 -8.490 -2.603 -1.568 1.00 0.00 C ATOM 464 CG GLU A 31 -9.023 -2.313 -2.966 1.00 0.00 C ATOM 465 CD GLU A 31 -7.927 -2.306 -4.013 1.00 0.00 C ATOM 466 OE1 GLU A 31 -7.710 -1.254 -4.650 1.00 0.00 O ATOM 467 OE2 GLU A 31 -7.272 -3.352 -4.203 1.00 0.00 O ATOM 0 H GLU A 31 -7.983 -3.087 0.809 1.00 0.00 H new ATOM 0 HA GLU A 31 -10.176 -1.799 -0.486 1.00 0.00 H new ATOM 0 HB2 GLU A 31 -7.795 -1.813 -1.284 1.00 0.00 H new ATOM 0 HB3 GLU A 31 -7.923 -3.533 -1.592 1.00 0.00 H new ATOM 0 HG2 GLU A 31 -9.769 -3.063 -3.230 1.00 0.00 H new ATOM 0 HG3 GLU A 31 -9.528 -1.347 -2.966 1.00 0.00 H new ATOM 474 N ARG A 32 -10.028 -5.093 -0.818 1.00 0.00 N ATOM 475 CA ARG A 32 -10.839 -6.253 -1.194 1.00 0.00 C ATOM 476 C ARG A 32 -10.725 -7.372 -0.167 1.00 0.00 C ATOM 477 O ARG A 32 -9.707 -8.062 -0.088 1.00 0.00 O ATOM 478 CB ARG A 32 -10.436 -6.791 -2.582 1.00 0.00 C ATOM 479 CG ARG A 32 -10.893 -5.934 -3.778 1.00 0.00 C ATOM 480 CD ARG A 32 -12.399 -6.026 -4.028 1.00 0.00 C ATOM 481 NE ARG A 32 -12.895 -7.399 -3.913 1.00 0.00 N ATOM 482 CZ ARG A 32 -14.096 -7.728 -3.432 1.00 0.00 C ATOM 483 NH1 ARG A 32 -14.936 -6.788 -3.022 1.00 0.00 N ATOM 484 NH2 ARG A 32 -14.456 -9.004 -3.364 1.00 0.00 N ATOM 0 H ARG A 32 -9.064 -5.312 -0.565 1.00 0.00 H new ATOM 0 HA ARG A 32 -11.874 -5.914 -1.230 1.00 0.00 H new ATOM 0 HB2 ARG A 32 -9.351 -6.884 -2.616 1.00 0.00 H new ATOM 0 HB3 ARG A 32 -10.846 -7.794 -2.698 1.00 0.00 H new ATOM 0 HG2 ARG A 32 -10.621 -4.894 -3.599 1.00 0.00 H new ATOM 0 HG3 ARG A 32 -10.360 -6.253 -4.673 1.00 0.00 H new ATOM 0 HD2 ARG A 32 -12.924 -5.391 -3.314 1.00 0.00 H new ATOM 0 HD3 ARG A 32 -12.625 -5.642 -5.023 1.00 0.00 H new ATOM 0 HE ARG A 32 -12.282 -8.154 -4.221 1.00 0.00 H new ATOM 0 HH11 ARG A 32 -14.666 -5.806 -3.073 1.00 0.00 H new ATOM 0 HH12 ARG A 32 -15.852 -7.047 -2.656 1.00 0.00 H new ATOM 0 HH21 ARG A 32 -13.815 -9.732 -3.679 1.00 0.00 H new ATOM 0 HH22 ARG A 32 -15.374 -9.256 -2.997 1.00 0.00 H new ATOM 498 N SER A 33 -11.777 -7.546 0.613 1.00 0.00 N ATOM 499 CA SER A 33 -11.856 -8.647 1.563 1.00 0.00 C ATOM 500 C SER A 33 -13.245 -9.276 1.519 1.00 0.00 C ATOM 501 CB SER A 33 -11.526 -8.171 2.982 1.00 0.00 C ATOM 502 OG SER A 33 -10.181 -7.729 3.070 1.00 0.00 O ATOM 0 H SER A 33 -12.594 -6.936 0.608 1.00 0.00 H new ATOM 0 HA SER A 33 -11.119 -9.399 1.282 1.00 0.00 H new ATOM 0 HB2 SER A 33 -12.198 -7.360 3.263 1.00 0.00 H new ATOM 0 HB3 SER A 33 -11.693 -8.983 3.690 1.00 0.00 H new ATOM 0 HG SER A 33 -10.002 -7.080 2.357 1.00 0.00 H new TER 508 SER A 33