USER MOD reduce.3.24.130724 H: found=0, std=0, add=754, rem=0, adj=22 USER MOD reduce.3.24.130724 removed 756 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 5 LYS NZ :NH3+ -161:sc= 1.14 (180deg=0.799) USER MOD Single : A 14 ASN : amide:sc= 0 K(o=0,f=-0.67) USER MOD Single : A 15 TYR OH : rot 30:sc= 0 USER MOD Single : A 17 SER OG : rot 180:sc= 0 USER MOD Single : A 18 SER OG : rot 180:sc= -2.3! USER MOD Single : A 22 LYS NZ :NH3+ -168:sc= -0.0268 (180deg=-0.171) USER MOD Single : A 23 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 26 SER OG : rot 180:sc=0.000792 USER MOD Single : A 32 SER OG : rot -99:sc= 1.24 USER MOD Single : A 34 ASN : amide:sc= 1 K(o=1,f=-0.042) USER MOD Single : A 37 MET CE :methyl -175:sc= -1.69 (180deg=-1.8) USER MOD Single : A 39 CYS SG : rot 70:sc= 1.26 USER MOD Single : A 41 SER OG : rot 3:sc= 0.0867 USER MOD Single : A 52 SER OG : rot 180:sc= 0 USER MOD Single : B 5 LYS NZ :NH3+ -163:sc= 1.12 (180deg=0.748) USER MOD Single : B 14 ASN : amide:sc= 0 K(o=0,f=-0.6) USER MOD Single : B 15 TYR OH : rot 30:sc= 0 USER MOD Single : B 17 SER OG : rot 180:sc= 0 USER MOD Single : B 18 SER OG : rot 180:sc= -2.32! USER MOD Single : B 22 LYS NZ :NH3+ -168:sc= -0.0213 (180deg=-0.165) USER MOD Single : B 23 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : B 26 SER OG : rot 180:sc= 0 USER MOD Single : B 32 SER OG : rot -99:sc= 1.25 USER MOD Single : B 34 ASN : amide:sc= 0.916 K(o=0.92,f=-0.032) USER MOD Single : B 37 MET CE :methyl -173:sc= -1.69 (180deg=-1.9) USER MOD Single : B 39 CYS SG : rot 80:sc= 1.25 USER MOD Single : B 41 SER OG : rot 4:sc= 0.072 USER MOD Single : B 52 SER OG : rot 180:sc= 0 USER MOD ----------------------------------------------------------------- ATOM 74 N LYS A 5 -2.736 9.965 3.727 1.00 0.41 N ATOM 75 CA LYS A 5 -1.616 9.178 3.223 1.00 0.36 C ATOM 76 C LYS A 5 -0.969 8.359 4.340 1.00 0.27 C ATOM 77 O LYS A 5 -0.474 7.260 4.098 1.00 0.25 O ATOM 78 CB LYS A 5 -0.586 10.094 2.547 1.00 0.42 C ATOM 79 CG LYS A 5 -0.343 11.397 3.291 1.00 0.41 C ATOM 80 CD LYS A 5 0.603 12.314 2.540 1.00 0.53 C ATOM 81 CE LYS A 5 0.496 13.744 3.041 1.00 0.73 C ATOM 82 NZ LYS A 5 -0.826 14.356 2.730 1.00 1.14 N ATOM 0 HA LYS A 5 -1.997 8.477 2.481 1.00 0.36 H new ATOM 0 HB2 LYS A 5 0.358 9.558 2.455 1.00 0.42 H new ATOM 0 HB3 LYS A 5 -0.924 10.321 1.536 1.00 0.42 H new ATOM 0 HG2 LYS A 5 -1.293 11.907 3.448 1.00 0.41 H new ATOM 0 HG3 LYS A 5 0.069 11.180 4.277 1.00 0.41 H new ATOM 0 HD2 LYS A 5 1.627 11.960 2.659 1.00 0.53 H new ATOM 0 HD3 LYS A 5 0.376 12.281 1.474 1.00 0.53 H new ATOM 0 HE2 LYS A 5 0.657 13.762 4.119 1.00 0.73 H new ATOM 0 HE3 LYS A 5 1.286 14.344 2.591 1.00 0.73 H new ATOM 0 HZ1 LYS A 5 -0.752 15.392 2.789 1.00 1.14 H new ATOM 0 HZ2 LYS A 5 -1.117 14.084 1.769 1.00 1.14 H new ATOM 0 HZ3 LYS A 5 -1.534 14.020 3.414 1.00 1.14 H new ATOM 96 N GLU A 6 -0.986 8.893 5.559 1.00 0.30 N ATOM 97 CA GLU A 6 -0.504 8.159 6.728 1.00 0.36 C ATOM 98 C GLU A 6 -1.372 6.930 6.976 1.00 0.38 C ATOM 99 O GLU A 6 -0.867 5.830 7.186 1.00 0.41 O ATOM 100 CB GLU A 6 -0.524 9.040 7.982 1.00 0.49 C ATOM 101 CG GLU A 6 0.386 10.257 7.926 1.00 0.99 C ATOM 102 CD GLU A 6 -0.083 11.315 6.946 1.00 1.46 C ATOM 103 OE1 GLU A 6 -1.310 11.444 6.739 1.00 2.11 O ATOM 104 OE2 GLU A 6 0.770 12.033 6.386 1.00 2.00 O ATOM 0 H GLU A 6 -1.328 9.832 5.764 1.00 0.30 H new ATOM 0 HA GLU A 6 0.522 7.854 6.524 1.00 0.36 H new ATOM 0 HB2 GLU A 6 -1.546 9.377 8.155 1.00 0.49 H new ATOM 0 HB3 GLU A 6 -0.239 8.431 8.840 1.00 0.49 H new ATOM 0 HG2 GLU A 6 0.453 10.698 8.921 1.00 0.99 H new ATOM 0 HG3 GLU A 6 1.391 9.938 7.651 1.00 0.99 H new ATOM 111 N GLU A 7 -2.682 7.142 6.942 1.00 0.41 N ATOM 112 CA GLU A 7 -3.659 6.082 7.166 1.00 0.48 C ATOM 113 C GLU A 7 -3.499 4.983 6.122 1.00 0.40 C ATOM 114 O GLU A 7 -3.513 3.794 6.443 1.00 0.40 O ATOM 115 CB GLU A 7 -5.074 6.664 7.104 1.00 0.61 C ATOM 116 CG GLU A 7 -5.355 7.703 8.180 1.00 0.75 C ATOM 117 CD GLU A 7 -6.535 8.593 7.842 1.00 0.95 C ATOM 118 OE1 GLU A 7 -7.377 8.192 7.017 1.00 1.25 O ATOM 119 OE2 GLU A 7 -6.611 9.718 8.376 1.00 1.68 O ATOM 0 H GLU A 7 -3.098 8.055 6.758 1.00 0.41 H new ATOM 0 HA GLU A 7 -3.491 5.649 8.152 1.00 0.48 H new ATOM 0 HB2 GLU A 7 -5.229 7.117 6.125 1.00 0.61 H new ATOM 0 HB3 GLU A 7 -5.796 5.853 7.197 1.00 0.61 H new ATOM 0 HG2 GLU A 7 -5.546 7.197 9.126 1.00 0.75 H new ATOM 0 HG3 GLU A 7 -4.468 8.321 8.323 1.00 0.75 H new ATOM 126 N ILE A 8 -3.328 5.398 4.876 1.00 0.37 N ATOM 127 CA ILE A 8 -3.122 4.463 3.783 1.00 0.36 C ATOM 128 C ILE A 8 -1.818 3.694 3.987 1.00 0.27 C ATOM 129 O ILE A 8 -1.808 2.465 3.959 1.00 0.25 O ATOM 130 CB ILE A 8 -3.087 5.181 2.414 1.00 0.40 C ATOM 131 CG1 ILE A 8 -4.353 6.024 2.209 1.00 0.54 C ATOM 132 CG2 ILE A 8 -2.937 4.169 1.285 1.00 0.42 C ATOM 133 CD1 ILE A 8 -5.637 5.223 2.202 1.00 0.96 C ATOM 0 H ILE A 8 -3.328 6.379 4.597 1.00 0.37 H new ATOM 0 HA ILE A 8 -3.964 3.770 3.783 1.00 0.36 H new ATOM 0 HB ILE A 8 -2.225 5.848 2.402 1.00 0.40 H new ATOM 0 HG12 ILE A 8 -4.409 6.773 2.999 1.00 0.54 H new ATOM 0 HG13 ILE A 8 -4.269 6.562 1.265 1.00 0.54 H new ATOM 0 HG21 ILE A 8 -2.914 4.692 0.329 1.00 0.42 H new ATOM 0 HG22 ILE A 8 -2.009 3.612 1.416 1.00 0.42 H new ATOM 0 HG23 ILE A 8 -3.780 3.478 1.301 1.00 0.42 H new ATOM 0 HD11 ILE A 8 -6.483 5.893 2.052 1.00 0.96 H new ATOM 0 HD12 ILE A 8 -5.605 4.492 1.394 1.00 0.96 H new ATOM 0 HD13 ILE A 8 -5.748 4.706 3.155 1.00 0.96 H new ATOM 145 N ALA A 9 -0.729 4.428 4.216 1.00 0.25 N ATOM 146 CA ALA A 9 0.588 3.824 4.423 1.00 0.20 C ATOM 147 C ALA A 9 0.581 2.854 5.599 1.00 0.19 C ATOM 148 O ALA A 9 1.250 1.819 5.561 1.00 0.16 O ATOM 149 CB ALA A 9 1.636 4.903 4.641 1.00 0.21 C ATOM 0 H ALA A 9 -0.733 5.447 4.263 1.00 0.25 H new ATOM 0 HA ALA A 9 0.838 3.259 3.525 1.00 0.20 H new ATOM 0 HB1 ALA A 9 2.610 4.438 4.794 1.00 0.21 H new ATOM 0 HB2 ALA A 9 1.677 5.553 3.767 1.00 0.21 H new ATOM 0 HB3 ALA A 9 1.374 5.493 5.519 1.00 0.21 H new ATOM 155 N ALA A 10 -0.175 3.194 6.636 1.00 0.24 N ATOM 156 CA ALA A 10 -0.321 2.330 7.797 1.00 0.25 C ATOM 157 C ALA A 10 -0.907 0.983 7.393 1.00 0.24 C ATOM 158 O ALA A 10 -0.378 -0.070 7.748 1.00 0.22 O ATOM 159 CB ALA A 10 -1.195 2.998 8.847 1.00 0.33 C ATOM 0 H ALA A 10 -0.698 4.067 6.695 1.00 0.24 H new ATOM 0 HA ALA A 10 0.666 2.159 8.226 1.00 0.25 H new ATOM 0 HB1 ALA A 10 -1.295 2.339 9.710 1.00 0.33 H new ATOM 0 HB2 ALA A 10 -0.737 3.937 9.158 1.00 0.33 H new ATOM 0 HB3 ALA A 10 -2.181 3.197 8.427 1.00 0.33 H new ATOM 165 N LEU A 11 -1.992 1.020 6.632 1.00 0.27 N ATOM 166 CA LEU A 11 -2.624 -0.198 6.147 1.00 0.30 C ATOM 167 C LEU A 11 -1.665 -0.935 5.217 1.00 0.26 C ATOM 168 O LEU A 11 -1.577 -2.160 5.241 1.00 0.29 O ATOM 169 CB LEU A 11 -3.941 0.145 5.423 1.00 0.38 C ATOM 170 CG LEU A 11 -4.888 -1.029 5.100 1.00 0.75 C ATOM 171 CD1 LEU A 11 -4.407 -1.821 3.891 1.00 1.56 C ATOM 172 CD2 LEU A 11 -5.039 -1.943 6.307 1.00 0.63 C ATOM 0 H LEU A 11 -2.453 1.881 6.337 1.00 0.27 H new ATOM 0 HA LEU A 11 -2.859 -0.849 6.989 1.00 0.30 H new ATOM 0 HB2 LEU A 11 -4.487 0.863 6.035 1.00 0.38 H new ATOM 0 HB3 LEU A 11 -3.693 0.647 4.488 1.00 0.38 H new ATOM 0 HG LEU A 11 -5.863 -0.607 4.855 1.00 0.75 H new ATOM 0 HD11 LEU A 11 -5.099 -2.640 3.694 1.00 1.56 H new ATOM 0 HD12 LEU A 11 -4.363 -1.166 3.021 1.00 1.56 H new ATOM 0 HD13 LEU A 11 -3.415 -2.225 4.092 1.00 1.56 H new ATOM 0 HD21 LEU A 11 -5.711 -2.765 6.059 1.00 0.63 H new ATOM 0 HD22 LEU A 11 -4.064 -2.343 6.585 1.00 0.63 H new ATOM 0 HD23 LEU A 11 -5.451 -1.377 7.143 1.00 0.63 H new ATOM 184 N ILE A 12 -0.935 -0.164 4.422 1.00 0.21 N ATOM 185 CA ILE A 12 0.019 -0.702 3.462 1.00 0.20 C ATOM 186 C ILE A 12 1.095 -1.554 4.137 1.00 0.18 C ATOM 187 O ILE A 12 1.256 -2.731 3.807 1.00 0.20 O ATOM 188 CB ILE A 12 0.671 0.442 2.657 1.00 0.19 C ATOM 189 CG1 ILE A 12 -0.360 1.048 1.701 1.00 0.22 C ATOM 190 CG2 ILE A 12 1.897 -0.046 1.899 1.00 0.20 C ATOM 191 CD1 ILE A 12 0.137 2.252 0.933 1.00 0.25 C ATOM 0 H ILE A 12 -0.988 0.855 4.425 1.00 0.21 H new ATOM 0 HA ILE A 12 -0.533 -1.351 2.783 1.00 0.20 H new ATOM 0 HB ILE A 12 1.006 1.212 3.352 1.00 0.19 H new ATOM 0 HG12 ILE A 12 -0.674 0.283 0.991 1.00 0.22 H new ATOM 0 HG13 ILE A 12 -1.243 1.335 2.272 1.00 0.22 H new ATOM 0 HG21 ILE A 12 2.334 0.783 1.342 1.00 0.20 H new ATOM 0 HG22 ILE A 12 2.630 -0.435 2.605 1.00 0.20 H new ATOM 0 HG23 ILE A 12 1.606 -0.836 1.206 1.00 0.20 H new ATOM 0 HD11 ILE A 12 -0.655 2.619 0.280 1.00 0.25 H new ATOM 0 HD12 ILE A 12 0.423 3.037 1.633 1.00 0.25 H new ATOM 0 HD13 ILE A 12 1.001 1.969 0.332 1.00 0.25 H new ATOM 203 N VAL A 13 1.820 -0.969 5.086 1.00 0.16 N ATOM 204 CA VAL A 13 2.891 -1.695 5.764 1.00 0.16 C ATOM 205 C VAL A 13 2.328 -2.851 6.586 1.00 0.16 C ATOM 206 O VAL A 13 2.914 -3.930 6.645 1.00 0.18 O ATOM 207 CB VAL A 13 3.754 -0.770 6.660 1.00 0.15 C ATOM 208 CG1 VAL A 13 4.474 0.268 5.815 1.00 0.16 C ATOM 209 CG2 VAL A 13 2.915 -0.090 7.730 1.00 0.14 C ATOM 0 H VAL A 13 1.689 -0.008 5.400 1.00 0.16 H new ATOM 0 HA VAL A 13 3.541 -2.096 4.986 1.00 0.16 H new ATOM 0 HB VAL A 13 4.495 -1.393 7.162 1.00 0.15 H new ATOM 0 HG11 VAL A 13 5.075 0.909 6.460 1.00 0.16 H new ATOM 0 HG12 VAL A 13 5.122 -0.234 5.096 1.00 0.16 H new ATOM 0 HG13 VAL A 13 3.742 0.874 5.282 1.00 0.16 H new ATOM 0 HG21 VAL A 13 3.552 0.551 8.340 1.00 0.14 H new ATOM 0 HG22 VAL A 13 2.141 0.514 7.256 1.00 0.14 H new ATOM 0 HG23 VAL A 13 2.450 -0.846 8.362 1.00 0.14 H new ATOM 219 N ASN A 14 1.179 -2.623 7.201 1.00 0.18 N ATOM 220 CA ASN A 14 0.505 -3.652 7.983 1.00 0.21 C ATOM 221 C ASN A 14 0.096 -4.829 7.092 1.00 0.19 C ATOM 222 O ASN A 14 0.129 -5.987 7.512 1.00 0.20 O ATOM 223 CB ASN A 14 -0.715 -3.049 8.681 1.00 0.30 C ATOM 224 CG ASN A 14 -1.401 -4.015 9.626 1.00 0.42 C ATOM 225 OD1 ASN A 14 -0.781 -4.923 10.171 1.00 0.45 O ATOM 226 ND2 ASN A 14 -2.688 -3.807 9.841 1.00 0.57 N ATOM 0 H ASN A 14 0.689 -1.729 7.174 1.00 0.18 H new ATOM 0 HA ASN A 14 1.193 -4.031 8.739 1.00 0.21 H new ATOM 0 HB2 ASN A 14 -0.406 -2.164 9.237 1.00 0.30 H new ATOM 0 HB3 ASN A 14 -1.430 -2.719 7.928 1.00 0.30 H new ATOM 0 HD21 ASN A 14 -3.203 -4.413 10.480 1.00 0.57 H new ATOM 0 HD22 ASN A 14 -3.167 -3.041 9.368 1.00 0.57 H new ATOM 233 N TYR A 15 -0.270 -4.524 5.853 1.00 0.22 N ATOM 234 CA TYR A 15 -0.661 -5.551 4.896 1.00 0.24 C ATOM 235 C TYR A 15 0.538 -6.408 4.503 1.00 0.22 C ATOM 236 O TYR A 15 0.448 -7.635 4.484 1.00 0.23 O ATOM 237 CB TYR A 15 -1.297 -4.929 3.651 1.00 0.30 C ATOM 238 CG TYR A 15 -1.873 -5.952 2.695 1.00 0.39 C ATOM 239 CD1 TYR A 15 -3.069 -6.599 2.984 1.00 1.30 C ATOM 240 CD2 TYR A 15 -1.221 -6.279 1.512 1.00 1.19 C ATOM 241 CE1 TYR A 15 -3.599 -7.540 2.122 1.00 1.40 C ATOM 242 CE2 TYR A 15 -1.744 -7.222 0.645 1.00 1.21 C ATOM 243 CZ TYR A 15 -2.934 -7.848 0.956 1.00 0.65 C ATOM 244 OH TYR A 15 -3.456 -8.791 0.098 1.00 0.80 O ATOM 0 H TYR A 15 -0.304 -3.572 5.487 1.00 0.22 H new ATOM 0 HA TYR A 15 -1.402 -6.189 5.377 1.00 0.24 H new ATOM 0 HB2 TYR A 15 -2.088 -4.245 3.959 1.00 0.30 H new ATOM 0 HB3 TYR A 15 -0.548 -4.335 3.128 1.00 0.30 H new ATOM 0 HD1 TYR A 15 -3.593 -6.362 3.898 1.00 1.30 H new ATOM 0 HD2 TYR A 15 -0.291 -5.789 1.265 1.00 1.19 H new ATOM 0 HE1 TYR A 15 -4.530 -8.032 2.362 1.00 1.40 H new ATOM 0 HE2 TYR A 15 -1.224 -7.467 -0.270 1.00 1.21 H new ATOM 0 HH TYR A 15 -4.433 -8.792 0.169 1.00 0.80 H new ATOM 254 N PHE A 16 1.664 -5.767 4.202 1.00 0.20 N ATOM 255 CA PHE A 16 2.874 -6.502 3.845 1.00 0.21 C ATOM 256 C PHE A 16 3.374 -7.320 5.027 1.00 0.20 C ATOM 257 O PHE A 16 3.904 -8.417 4.853 1.00 0.20 O ATOM 258 CB PHE A 16 3.984 -5.566 3.358 1.00 0.20 C ATOM 259 CG PHE A 16 3.703 -4.901 2.036 1.00 0.20 C ATOM 260 CD1 PHE A 16 3.242 -5.636 0.949 1.00 0.91 C ATOM 261 CD2 PHE A 16 3.914 -3.540 1.874 1.00 1.04 C ATOM 262 CE1 PHE A 16 2.997 -5.023 -0.263 1.00 0.91 C ATOM 263 CE2 PHE A 16 3.669 -2.927 0.662 1.00 1.05 C ATOM 264 CZ PHE A 16 3.210 -3.669 -0.407 1.00 0.23 C ATOM 0 H PHE A 16 1.764 -4.752 4.198 1.00 0.20 H new ATOM 0 HA PHE A 16 2.613 -7.173 3.027 1.00 0.21 H new ATOM 0 HB2 PHE A 16 4.148 -4.795 4.111 1.00 0.20 H new ATOM 0 HB3 PHE A 16 4.911 -6.134 3.275 1.00 0.20 H new ATOM 0 HD1 PHE A 16 3.074 -6.698 1.054 1.00 0.91 H new ATOM 0 HD2 PHE A 16 4.274 -2.953 2.706 1.00 1.04 H new ATOM 0 HE1 PHE A 16 2.638 -5.605 -1.099 1.00 0.91 H new ATOM 0 HE2 PHE A 16 3.837 -1.866 0.550 1.00 1.05 H new ATOM 0 HZ PHE A 16 3.018 -3.189 -1.355 1.00 0.23 H new ATOM 274 N SER A 17 3.187 -6.786 6.229 1.00 0.19 N ATOM 275 CA SER A 17 3.550 -7.493 7.446 1.00 0.20 C ATOM 276 C SER A 17 2.738 -8.783 7.562 1.00 0.21 C ATOM 277 O SER A 17 3.217 -9.796 8.073 1.00 0.24 O ATOM 278 CB SER A 17 3.313 -6.597 8.666 1.00 0.21 C ATOM 279 OG SER A 17 3.779 -7.207 9.857 1.00 0.90 O ATOM 0 H SER A 17 2.784 -5.862 6.384 1.00 0.19 H new ATOM 0 HA SER A 17 4.608 -7.750 7.407 1.00 0.20 H new ATOM 0 HB2 SER A 17 3.820 -5.643 8.522 1.00 0.21 H new ATOM 0 HB3 SER A 17 2.249 -6.381 8.759 1.00 0.21 H new ATOM 0 HG SER A 17 3.615 -6.610 10.616 1.00 0.90 H new ATOM 285 N SER A 18 1.510 -8.738 7.070 1.00 0.24 N ATOM 286 CA SER A 18 0.653 -9.908 7.050 1.00 0.25 C ATOM 287 C SER A 18 1.121 -10.885 5.969 1.00 0.25 C ATOM 288 O SER A 18 1.201 -12.091 6.203 1.00 0.29 O ATOM 289 CB SER A 18 -0.798 -9.487 6.805 1.00 0.26 C ATOM 290 OG SER A 18 -1.689 -10.577 6.956 1.00 0.84 O ATOM 0 H SER A 18 1.085 -7.898 6.678 1.00 0.24 H new ATOM 0 HA SER A 18 0.711 -10.410 8.016 1.00 0.25 H new ATOM 0 HB2 SER A 18 -1.070 -8.694 7.502 1.00 0.26 H new ATOM 0 HB3 SER A 18 -0.893 -9.075 5.800 1.00 0.26 H new ATOM 0 HG SER A 18 -2.607 -10.274 6.794 1.00 0.84 H new ATOM 296 N ILE A 19 1.455 -10.350 4.796 1.00 0.23 N ATOM 297 CA ILE A 19 1.896 -11.168 3.667 1.00 0.24 C ATOM 298 C ILE A 19 3.156 -11.960 4.012 1.00 0.25 C ATOM 299 O ILE A 19 3.247 -13.154 3.712 1.00 0.28 O ATOM 300 CB ILE A 19 2.160 -10.307 2.408 1.00 0.24 C ATOM 301 CG1 ILE A 19 0.878 -9.588 1.970 1.00 0.25 C ATOM 302 CG2 ILE A 19 2.705 -11.158 1.263 1.00 0.27 C ATOM 303 CD1 ILE A 19 -0.269 -10.523 1.638 1.00 0.28 C ATOM 0 H ILE A 19 1.428 -9.349 4.602 1.00 0.23 H new ATOM 0 HA ILE A 19 1.086 -11.865 3.452 1.00 0.24 H new ATOM 0 HB ILE A 19 2.912 -9.561 2.665 1.00 0.24 H new ATOM 0 HG12 ILE A 19 0.564 -8.911 2.764 1.00 0.25 H new ATOM 0 HG13 ILE A 19 1.098 -8.974 1.096 1.00 0.25 H new ATOM 0 HG21 ILE A 19 2.881 -10.527 0.392 1.00 0.27 H new ATOM 0 HG22 ILE A 19 3.642 -11.623 1.569 1.00 0.27 H new ATOM 0 HG23 ILE A 19 1.982 -11.933 1.009 1.00 0.27 H new ATOM 0 HD11 ILE A 19 -1.139 -9.939 1.337 1.00 0.28 H new ATOM 0 HD12 ILE A 19 0.025 -11.184 0.822 1.00 0.28 H new ATOM 0 HD13 ILE A 19 -0.518 -11.119 2.516 1.00 0.28 H new ATOM 315 N VAL A 20 4.122 -11.304 4.647 1.00 0.25 N ATOM 316 CA VAL A 20 5.365 -11.966 5.020 1.00 0.28 C ATOM 317 C VAL A 20 5.141 -12.941 6.177 1.00 0.33 C ATOM 318 O VAL A 20 5.789 -13.985 6.251 1.00 0.34 O ATOM 319 CB VAL A 20 6.478 -10.954 5.384 1.00 0.29 C ATOM 320 CG1 VAL A 20 6.774 -10.041 4.204 1.00 0.26 C ATOM 321 CG2 VAL A 20 6.110 -10.132 6.611 1.00 0.30 C ATOM 0 H VAL A 20 4.068 -10.321 4.912 1.00 0.25 H new ATOM 0 HA VAL A 20 5.698 -12.525 4.146 1.00 0.28 H new ATOM 0 HB VAL A 20 7.376 -11.524 5.624 1.00 0.29 H new ATOM 0 HG11 VAL A 20 7.559 -9.336 4.478 1.00 0.26 H new ATOM 0 HG12 VAL A 20 7.104 -10.639 3.355 1.00 0.26 H new ATOM 0 HG13 VAL A 20 5.872 -9.493 3.933 1.00 0.26 H new ATOM 0 HG21 VAL A 20 6.916 -9.433 6.836 1.00 0.30 H new ATOM 0 HG22 VAL A 20 5.192 -9.577 6.416 1.00 0.30 H new ATOM 0 HG23 VAL A 20 5.958 -10.796 7.462 1.00 0.30 H new ATOM 331 N GLU A 21 4.219 -12.594 7.074 1.00 0.39 N ATOM 332 CA GLU A 21 3.863 -13.468 8.189 1.00 0.49 C ATOM 333 C GLU A 21 3.227 -14.762 7.684 1.00 0.48 C ATOM 334 O GLU A 21 3.575 -15.855 8.132 1.00 0.51 O ATOM 335 CB GLU A 21 2.902 -12.758 9.144 1.00 0.59 C ATOM 336 CG GLU A 21 2.562 -13.574 10.381 1.00 1.23 C ATOM 337 CD GLU A 21 1.550 -12.886 11.270 1.00 1.83 C ATOM 338 OE1 GLU A 21 1.933 -11.944 11.997 1.00 2.39 O ATOM 339 OE2 GLU A 21 0.365 -13.275 11.240 1.00 2.49 O ATOM 0 H GLU A 21 3.705 -11.713 7.050 1.00 0.39 H new ATOM 0 HA GLU A 21 4.779 -13.714 8.726 1.00 0.49 H new ATOM 0 HB2 GLU A 21 3.344 -11.811 9.454 1.00 0.59 H new ATOM 0 HB3 GLU A 21 1.981 -12.521 8.611 1.00 0.59 H new ATOM 0 HG2 GLU A 21 2.172 -14.545 10.076 1.00 1.23 H new ATOM 0 HG3 GLU A 21 3.473 -13.761 10.950 1.00 1.23 H new ATOM 346 N LYS A 22 2.292 -14.635 6.747 1.00 0.46 N ATOM 347 CA LYS A 22 1.620 -15.797 6.176 1.00 0.49 C ATOM 348 C LYS A 22 2.510 -16.487 5.149 1.00 0.42 C ATOM 349 O LYS A 22 2.184 -17.561 4.645 1.00 0.44 O ATOM 350 CB LYS A 22 0.298 -15.388 5.525 1.00 0.57 C ATOM 351 CG LYS A 22 -0.649 -14.665 6.469 1.00 0.67 C ATOM 352 CD LYS A 22 -1.962 -14.317 5.789 1.00 0.80 C ATOM 353 CE LYS A 22 -2.852 -13.472 6.688 1.00 0.72 C ATOM 354 NZ LYS A 22 -3.089 -14.112 8.010 1.00 1.42 N ATOM 0 H LYS A 22 1.983 -13.740 6.368 1.00 0.46 H new ATOM 0 HA LYS A 22 1.414 -16.496 6.986 1.00 0.49 H new ATOM 0 HB2 LYS A 22 0.508 -14.744 4.671 1.00 0.57 H new ATOM 0 HB3 LYS A 22 -0.198 -16.279 5.139 1.00 0.57 H new ATOM 0 HG2 LYS A 22 -0.845 -15.292 7.339 1.00 0.67 H new ATOM 0 HG3 LYS A 22 -0.175 -13.754 6.833 1.00 0.67 H new ATOM 0 HD2 LYS A 22 -1.761 -13.777 4.864 1.00 0.80 H new ATOM 0 HD3 LYS A 22 -2.485 -15.234 5.516 1.00 0.80 H new ATOM 0 HE2 LYS A 22 -2.392 -12.495 6.837 1.00 0.72 H new ATOM 0 HE3 LYS A 22 -3.808 -13.302 6.193 1.00 0.72 H new ATOM 0 HZ1 LYS A 22 -3.853 -13.610 8.507 1.00 1.42 H new ATOM 0 HZ2 LYS A 22 -3.361 -15.106 7.871 1.00 1.42 H new ATOM 0 HZ3 LYS A 22 -2.219 -14.068 8.578 1.00 1.42 H new ATOM 368 N LYS A 23 3.644 -15.844 4.860 1.00 0.36 N ATOM 369 CA LYS A 23 4.634 -16.354 3.914 1.00 0.32 C ATOM 370 C LYS A 23 4.020 -16.597 2.540 1.00 0.36 C ATOM 371 O LYS A 23 4.357 -17.564 1.856 1.00 0.41 O ATOM 372 CB LYS A 23 5.286 -17.630 4.453 1.00 0.36 C ATOM 373 CG LYS A 23 6.026 -17.411 5.762 1.00 0.42 C ATOM 374 CD LYS A 23 6.636 -18.698 6.293 1.00 0.57 C ATOM 375 CE LYS A 23 7.286 -18.474 7.647 1.00 1.21 C ATOM 376 NZ LYS A 23 7.850 -19.727 8.216 1.00 1.79 N ATOM 0 H LYS A 23 3.901 -14.950 5.279 1.00 0.36 H new ATOM 0 HA LYS A 23 5.407 -15.594 3.798 1.00 0.32 H new ATOM 0 HB2 LYS A 23 4.518 -18.390 4.599 1.00 0.36 H new ATOM 0 HB3 LYS A 23 5.982 -18.018 3.709 1.00 0.36 H new ATOM 0 HG2 LYS A 23 6.812 -16.671 5.614 1.00 0.42 H new ATOM 0 HG3 LYS A 23 5.339 -17.003 6.503 1.00 0.42 H new ATOM 0 HD2 LYS A 23 5.864 -19.462 6.378 1.00 0.57 H new ATOM 0 HD3 LYS A 23 7.378 -19.072 5.587 1.00 0.57 H new ATOM 0 HE2 LYS A 23 8.079 -17.733 7.549 1.00 1.21 H new ATOM 0 HE3 LYS A 23 6.550 -18.063 8.338 1.00 1.21 H new ATOM 0 HZ1 LYS A 23 8.283 -19.525 9.140 1.00 1.79 H new ATOM 0 HZ2 LYS A 23 7.090 -20.427 8.335 1.00 1.79 H new ATOM 0 HZ3 LYS A 23 8.572 -20.107 7.571 1.00 1.79 H new ATOM 390 N GLU A 24 3.133 -15.695 2.131 1.00 0.37 N ATOM 391 CA GLU A 24 2.482 -15.794 0.828 1.00 0.46 C ATOM 392 C GLU A 24 3.415 -15.341 -0.286 1.00 0.40 C ATOM 393 O GLU A 24 3.083 -15.447 -1.466 1.00 0.43 O ATOM 394 CB GLU A 24 1.206 -14.956 0.785 1.00 0.57 C ATOM 395 CG GLU A 24 0.045 -15.555 1.549 1.00 0.84 C ATOM 396 CD GLU A 24 -1.256 -14.846 1.246 1.00 1.08 C ATOM 397 OE1 GLU A 24 -1.566 -14.662 0.046 1.00 1.65 O ATOM 398 OE2 GLU A 24 -1.969 -14.470 2.194 1.00 1.83 O ATOM 0 H GLU A 24 2.848 -14.886 2.683 1.00 0.37 H new ATOM 0 HA GLU A 24 2.226 -16.843 0.676 1.00 0.46 H new ATOM 0 HB2 GLU A 24 1.421 -13.967 1.189 1.00 0.57 H new ATOM 0 HB3 GLU A 24 0.910 -14.818 -0.255 1.00 0.57 H new ATOM 0 HG2 GLU A 24 -0.050 -16.611 1.296 1.00 0.84 H new ATOM 0 HG3 GLU A 24 0.248 -15.500 2.619 1.00 0.84 H new ATOM 405 N ILE A 25 4.575 -14.837 0.091 1.00 0.36 N ATOM 406 CA ILE A 25 5.538 -14.347 -0.875 1.00 0.33 C ATOM 407 C ILE A 25 6.887 -15.028 -0.654 1.00 0.33 C ATOM 408 O ILE A 25 7.240 -15.370 0.479 1.00 0.34 O ATOM 409 CB ILE A 25 5.685 -12.807 -0.782 1.00 0.29 C ATOM 410 CG1 ILE A 25 6.591 -12.285 -1.904 1.00 0.30 C ATOM 411 CG2 ILE A 25 6.225 -12.399 0.582 1.00 0.27 C ATOM 412 CD1 ILE A 25 6.677 -10.776 -1.970 1.00 0.28 C ATOM 0 H ILE A 25 4.873 -14.756 1.063 1.00 0.36 H new ATOM 0 HA ILE A 25 5.178 -14.588 -1.875 1.00 0.33 H new ATOM 0 HB ILE A 25 4.698 -12.360 -0.903 1.00 0.29 H new ATOM 0 HG12 ILE A 25 7.593 -12.691 -1.767 1.00 0.30 H new ATOM 0 HG13 ILE A 25 6.223 -12.660 -2.859 1.00 0.30 H new ATOM 0 HG21 ILE A 25 6.320 -11.314 0.626 1.00 0.27 H new ATOM 0 HG22 ILE A 25 5.539 -12.735 1.360 1.00 0.27 H new ATOM 0 HG23 ILE A 25 7.202 -12.856 0.738 1.00 0.27 H new ATOM 0 HD11 ILE A 25 7.336 -10.485 -2.788 1.00 0.28 H new ATOM 0 HD12 ILE A 25 5.683 -10.362 -2.139 1.00 0.28 H new ATOM 0 HD13 ILE A 25 7.074 -10.393 -1.030 1.00 0.28 H new ATOM 424 N SER A 26 7.609 -15.252 -1.747 1.00 0.35 N ATOM 425 CA SER A 26 8.919 -15.890 -1.711 1.00 0.38 C ATOM 426 C SER A 26 9.871 -15.163 -0.758 1.00 0.34 C ATOM 427 O SER A 26 9.752 -13.952 -0.570 1.00 0.31 O ATOM 428 CB SER A 26 9.502 -15.916 -3.121 1.00 0.46 C ATOM 429 OG SER A 26 8.572 -16.475 -4.035 1.00 1.45 O ATOM 0 H SER A 26 7.301 -14.995 -2.685 1.00 0.35 H new ATOM 0 HA SER A 26 8.799 -16.908 -1.340 1.00 0.38 H new ATOM 0 HB2 SER A 26 9.762 -14.904 -3.432 1.00 0.46 H new ATOM 0 HB3 SER A 26 10.423 -16.499 -3.129 1.00 0.46 H new ATOM 0 HG SER A 26 8.961 -16.482 -4.934 1.00 1.45 H new ATOM 435 N GLU A 27 10.805 -15.906 -0.167 1.00 0.40 N ATOM 436 CA GLU A 27 11.657 -15.387 0.906 1.00 0.45 C ATOM 437 C GLU A 27 12.328 -14.068 0.533 1.00 0.40 C ATOM 438 O GLU A 27 12.267 -13.097 1.294 1.00 0.44 O ATOM 439 CB GLU A 27 12.719 -16.420 1.282 1.00 0.69 C ATOM 440 CG GLU A 27 12.135 -17.731 1.778 1.00 0.75 C ATOM 441 CD GLU A 27 11.158 -17.535 2.917 1.00 1.21 C ATOM 442 OE1 GLU A 27 11.600 -17.230 4.042 1.00 1.71 O ATOM 443 OE2 GLU A 27 9.939 -17.682 2.694 1.00 1.87 O ATOM 0 H GLU A 27 10.993 -16.877 -0.415 1.00 0.40 H new ATOM 0 HA GLU A 27 11.010 -15.193 1.761 1.00 0.45 H new ATOM 0 HB2 GLU A 27 13.348 -16.616 0.414 1.00 0.69 H new ATOM 0 HB3 GLU A 27 13.364 -16.002 2.055 1.00 0.69 H new ATOM 0 HG2 GLU A 27 11.631 -18.236 0.954 1.00 0.75 H new ATOM 0 HG3 GLU A 27 12.944 -18.385 2.105 1.00 0.75 H new ATOM 450 N ASP A 28 12.948 -14.027 -0.642 1.00 0.39 N ATOM 451 CA ASP A 28 13.652 -12.827 -1.088 1.00 0.39 C ATOM 452 C ASP A 28 12.678 -11.668 -1.241 1.00 0.35 C ATOM 453 O ASP A 28 12.967 -10.539 -0.840 1.00 0.38 O ATOM 454 CB ASP A 28 14.372 -13.082 -2.412 1.00 0.46 C ATOM 455 CG ASP A 28 15.214 -11.900 -2.844 1.00 1.01 C ATOM 456 OD1 ASP A 28 16.365 -11.783 -2.373 1.00 1.85 O ATOM 457 OD2 ASP A 28 14.733 -11.087 -3.656 1.00 1.63 O ATOM 0 H ASP A 28 12.978 -14.806 -1.300 1.00 0.39 H new ATOM 0 HA ASP A 28 14.395 -12.569 -0.333 1.00 0.39 H new ATOM 0 HB2 ASP A 28 15.008 -13.962 -2.314 1.00 0.46 H new ATOM 0 HB3 ASP A 28 13.637 -13.304 -3.186 1.00 0.46 H new ATOM 462 N GLY A 29 11.513 -11.965 -1.804 1.00 0.31 N ATOM 463 CA GLY A 29 10.478 -10.965 -1.943 1.00 0.30 C ATOM 464 C GLY A 29 10.001 -10.457 -0.598 1.00 0.26 C ATOM 465 O GLY A 29 9.787 -9.257 -0.422 1.00 0.24 O ATOM 0 H GLY A 29 11.268 -12.886 -2.168 1.00 0.31 H new ATOM 0 HA2 GLY A 29 10.856 -10.130 -2.533 1.00 0.30 H new ATOM 0 HA3 GLY A 29 9.636 -11.387 -2.491 1.00 0.30 H new ATOM 469 N ALA A 30 9.835 -11.372 0.353 1.00 0.24 N ATOM 470 CA ALA A 30 9.451 -11.018 1.714 1.00 0.23 C ATOM 471 C ALA A 30 10.445 -10.040 2.325 1.00 0.22 C ATOM 472 O ALA A 30 10.056 -9.030 2.908 1.00 0.21 O ATOM 473 CB ALA A 30 9.346 -12.268 2.577 1.00 0.24 C ATOM 0 H ALA A 30 9.962 -12.373 0.203 1.00 0.24 H new ATOM 0 HA ALA A 30 8.476 -10.533 1.674 1.00 0.23 H new ATOM 0 HB1 ALA A 30 9.059 -11.987 3.590 1.00 0.24 H new ATOM 0 HB2 ALA A 30 8.594 -12.937 2.159 1.00 0.24 H new ATOM 0 HB3 ALA A 30 10.310 -12.776 2.601 1.00 0.24 H new ATOM 479 N ASP A 31 11.729 -10.337 2.183 1.00 0.24 N ATOM 480 CA ASP A 31 12.775 -9.458 2.697 1.00 0.25 C ATOM 481 C ASP A 31 12.713 -8.099 2.014 1.00 0.23 C ATOM 482 O ASP A 31 12.894 -7.060 2.650 1.00 0.22 O ATOM 483 CB ASP A 31 14.155 -10.079 2.492 1.00 0.30 C ATOM 484 CG ASP A 31 15.266 -9.173 2.984 1.00 0.77 C ATOM 485 OD1 ASP A 31 15.470 -9.090 4.215 1.00 1.34 O ATOM 486 OD2 ASP A 31 15.945 -8.546 2.142 1.00 1.46 O ATOM 0 H ASP A 31 12.073 -11.177 1.718 1.00 0.24 H new ATOM 0 HA ASP A 31 12.608 -9.325 3.766 1.00 0.25 H new ATOM 0 HB2 ASP A 31 14.205 -11.032 3.018 1.00 0.30 H new ATOM 0 HB3 ASP A 31 14.303 -10.291 1.433 1.00 0.30 H new ATOM 491 N SER A 32 12.428 -8.116 0.719 1.00 0.24 N ATOM 492 CA SER A 32 12.297 -6.891 -0.050 1.00 0.23 C ATOM 493 C SER A 32 11.112 -6.066 0.461 1.00 0.20 C ATOM 494 O SER A 32 11.141 -4.838 0.437 1.00 0.22 O ATOM 495 CB SER A 32 12.135 -7.221 -1.536 1.00 0.25 C ATOM 496 OG SER A 32 12.327 -6.075 -2.347 1.00 0.92 O ATOM 0 H SER A 32 12.283 -8.969 0.179 1.00 0.24 H new ATOM 0 HA SER A 32 13.201 -6.295 0.073 1.00 0.23 H new ATOM 0 HB2 SER A 32 12.852 -7.992 -1.819 1.00 0.25 H new ATOM 0 HB3 SER A 32 11.140 -7.630 -1.712 1.00 0.25 H new ATOM 0 HG SER A 32 11.456 -5.706 -2.604 1.00 0.92 H new ATOM 502 N LEU A 33 10.076 -6.746 0.941 1.00 0.17 N ATOM 503 CA LEU A 33 8.936 -6.066 1.545 1.00 0.15 C ATOM 504 C LEU A 33 9.307 -5.517 2.916 1.00 0.14 C ATOM 505 O LEU A 33 8.846 -4.447 3.309 1.00 0.13 O ATOM 506 CB LEU A 33 7.738 -7.008 1.678 1.00 0.16 C ATOM 507 CG LEU A 33 7.126 -7.487 0.362 1.00 0.18 C ATOM 508 CD1 LEU A 33 5.955 -8.419 0.634 1.00 0.21 C ATOM 509 CD2 LEU A 33 6.683 -6.302 -0.489 1.00 0.19 C ATOM 0 H LEU A 33 10.002 -7.763 0.924 1.00 0.17 H new ATOM 0 HA LEU A 33 8.659 -5.241 0.889 1.00 0.15 H new ATOM 0 HB2 LEU A 33 8.047 -7.881 2.253 1.00 0.16 H new ATOM 0 HB3 LEU A 33 6.964 -6.503 2.256 1.00 0.16 H new ATOM 0 HG LEU A 33 7.886 -8.037 -0.193 1.00 0.18 H new ATOM 0 HD11 LEU A 33 5.528 -8.753 -0.312 1.00 0.21 H new ATOM 0 HD12 LEU A 33 6.302 -9.283 1.201 1.00 0.21 H new ATOM 0 HD13 LEU A 33 5.195 -7.890 1.208 1.00 0.21 H new ATOM 0 HD21 LEU A 33 6.250 -6.665 -1.421 1.00 0.19 H new ATOM 0 HD22 LEU A 33 5.938 -5.722 0.055 1.00 0.19 H new ATOM 0 HD23 LEU A 33 7.544 -5.671 -0.710 1.00 0.19 H new ATOM 521 N ASN A 34 10.142 -6.256 3.639 1.00 0.15 N ATOM 522 CA ASN A 34 10.611 -5.826 4.953 1.00 0.16 C ATOM 523 C ASN A 34 11.322 -4.485 4.858 1.00 0.16 C ATOM 524 O ASN A 34 11.001 -3.549 5.594 1.00 0.16 O ATOM 525 CB ASN A 34 11.542 -6.871 5.577 1.00 0.18 C ATOM 526 CG ASN A 34 10.794 -7.966 6.317 1.00 0.18 C ATOM 527 OD1 ASN A 34 10.528 -7.854 7.513 1.00 0.19 O ATOM 528 ND2 ASN A 34 10.444 -9.030 5.617 1.00 0.21 N ATOM 0 H ASN A 34 10.509 -7.158 3.337 1.00 0.15 H new ATOM 0 HA ASN A 34 9.738 -5.716 5.596 1.00 0.16 H new ATOM 0 HB2 ASN A 34 12.151 -7.321 4.793 1.00 0.18 H new ATOM 0 HB3 ASN A 34 12.225 -6.375 6.267 1.00 0.18 H new ATOM 0 HD21 ASN A 34 9.937 -9.792 6.067 1.00 0.21 H new ATOM 0 HD22 ASN A 34 10.681 -9.090 4.627 1.00 0.21 H new ATOM 535 N VAL A 35 12.264 -4.379 3.928 1.00 0.17 N ATOM 536 CA VAL A 35 13.007 -3.140 3.752 1.00 0.19 C ATOM 537 C VAL A 35 12.114 -2.060 3.145 1.00 0.18 C ATOM 538 O VAL A 35 12.301 -0.873 3.409 1.00 0.20 O ATOM 539 CB VAL A 35 14.269 -3.338 2.880 1.00 0.22 C ATOM 540 CG1 VAL A 35 15.189 -4.372 3.509 1.00 0.25 C ATOM 541 CG2 VAL A 35 13.906 -3.748 1.462 1.00 0.22 C ATOM 0 H VAL A 35 12.529 -5.130 3.290 1.00 0.17 H new ATOM 0 HA VAL A 35 13.336 -2.820 4.741 1.00 0.19 H new ATOM 0 HB VAL A 35 14.792 -2.383 2.828 1.00 0.22 H new ATOM 0 HG11 VAL A 35 16.073 -4.501 2.884 1.00 0.25 H new ATOM 0 HG12 VAL A 35 15.492 -4.035 4.500 1.00 0.25 H new ATOM 0 HG13 VAL A 35 14.663 -5.323 3.594 1.00 0.25 H new ATOM 0 HG21 VAL A 35 14.816 -3.879 0.877 1.00 0.22 H new ATOM 0 HG22 VAL A 35 13.352 -4.686 1.485 1.00 0.22 H new ATOM 0 HG23 VAL A 35 13.289 -2.974 1.006 1.00 0.22 H new ATOM 551 N ALA A 36 11.135 -2.480 2.346 1.00 0.16 N ATOM 552 CA ALA A 36 10.176 -1.553 1.757 1.00 0.16 C ATOM 553 C ALA A 36 9.348 -0.881 2.842 1.00 0.15 C ATOM 554 O ALA A 36 9.230 0.342 2.872 1.00 0.15 O ATOM 555 CB ALA A 36 9.268 -2.274 0.771 1.00 0.18 C ATOM 0 H ALA A 36 10.987 -3.457 2.093 1.00 0.16 H new ATOM 0 HA ALA A 36 10.731 -0.786 1.218 1.00 0.16 H new ATOM 0 HB1 ALA A 36 8.560 -1.565 0.343 1.00 0.18 H new ATOM 0 HB2 ALA A 36 9.870 -2.711 -0.025 1.00 0.18 H new ATOM 0 HB3 ALA A 36 8.723 -3.063 1.289 1.00 0.18 H new ATOM 561 N MET A 37 8.786 -1.691 3.738 1.00 0.14 N ATOM 562 CA MET A 37 7.980 -1.189 4.840 1.00 0.14 C ATOM 563 C MET A 37 8.754 -0.191 5.686 1.00 0.15 C ATOM 564 O MET A 37 8.207 0.825 6.110 1.00 0.18 O ATOM 565 CB MET A 37 7.509 -2.346 5.719 1.00 0.16 C ATOM 566 CG MET A 37 6.469 -3.235 5.063 1.00 0.16 C ATOM 567 SD MET A 37 5.880 -4.540 6.160 1.00 0.21 S ATOM 568 CE MET A 37 7.352 -5.539 6.349 1.00 0.19 C ATOM 0 H MET A 37 8.878 -2.707 3.718 1.00 0.14 H new ATOM 0 HA MET A 37 7.117 -0.679 4.412 1.00 0.14 H new ATOM 0 HB2 MET A 37 8.371 -2.954 5.994 1.00 0.16 H new ATOM 0 HB3 MET A 37 7.096 -1.942 6.643 1.00 0.16 H new ATOM 0 HG2 MET A 37 5.624 -2.625 4.744 1.00 0.16 H new ATOM 0 HG3 MET A 37 6.894 -3.684 4.166 1.00 0.16 H new ATOM 0 HE1 MET A 37 7.115 -6.430 6.930 1.00 0.19 H new ATOM 0 HE2 MET A 37 7.721 -5.833 5.366 1.00 0.19 H new ATOM 0 HE3 MET A 37 8.119 -4.963 6.866 1.00 0.19 H new ATOM 578 N ASP A 38 10.028 -0.486 5.926 1.00 0.17 N ATOM 579 CA ASP A 38 10.878 0.392 6.722 1.00 0.23 C ATOM 580 C ASP A 38 11.053 1.743 6.039 1.00 0.19 C ATOM 581 O ASP A 38 11.026 2.791 6.689 1.00 0.22 O ATOM 582 CB ASP A 38 12.244 -0.249 6.966 1.00 0.33 C ATOM 583 CG ASP A 38 13.138 0.620 7.827 1.00 0.89 C ATOM 584 OD1 ASP A 38 12.954 0.621 9.063 1.00 1.68 O ATOM 585 OD2 ASP A 38 14.023 1.308 7.273 1.00 1.41 O ATOM 0 H ASP A 38 10.494 -1.325 5.581 1.00 0.17 H new ATOM 0 HA ASP A 38 10.388 0.547 7.683 1.00 0.23 H new ATOM 0 HB2 ASP A 38 12.108 -1.217 7.448 1.00 0.33 H new ATOM 0 HB3 ASP A 38 12.733 -0.435 6.009 1.00 0.33 H new ATOM 590 N CYS A 39 11.215 1.713 4.723 1.00 0.17 N ATOM 591 CA CYS A 39 11.339 2.936 3.943 1.00 0.18 C ATOM 592 C CYS A 39 10.040 3.738 4.001 1.00 0.16 C ATOM 593 O CYS A 39 10.059 4.968 4.026 1.00 0.19 O ATOM 594 CB CYS A 39 11.688 2.609 2.490 1.00 0.20 C ATOM 595 SG CYS A 39 13.233 1.691 2.284 1.00 0.26 S ATOM 0 H CYS A 39 11.264 0.855 4.174 1.00 0.17 H new ATOM 0 HA CYS A 39 12.142 3.537 4.370 1.00 0.18 H new ATOM 0 HB2 CYS A 39 10.874 2.030 2.055 1.00 0.20 H new ATOM 0 HB3 CYS A 39 11.754 3.540 1.926 1.00 0.20 H new ATOM 0 HG CYS A 39 13.086 0.484 2.745 1.00 0.26 H new ATOM 601 N ILE A 40 8.917 3.030 4.037 1.00 0.13 N ATOM 602 CA ILE A 40 7.604 3.665 4.090 1.00 0.13 C ATOM 603 C ILE A 40 7.362 4.314 5.451 1.00 0.15 C ATOM 604 O ILE A 40 6.948 5.474 5.531 1.00 0.16 O ATOM 605 CB ILE A 40 6.475 2.651 3.802 1.00 0.13 C ATOM 606 CG1 ILE A 40 6.661 2.025 2.418 1.00 0.14 C ATOM 607 CG2 ILE A 40 5.112 3.326 3.897 1.00 0.16 C ATOM 608 CD1 ILE A 40 5.686 0.905 2.119 1.00 0.16 C ATOM 0 H ILE A 40 8.889 2.010 4.030 1.00 0.13 H new ATOM 0 HA ILE A 40 7.592 4.435 3.318 1.00 0.13 H new ATOM 0 HB ILE A 40 6.523 1.861 4.552 1.00 0.13 H new ATOM 0 HG12 ILE A 40 6.552 2.801 1.661 1.00 0.14 H new ATOM 0 HG13 ILE A 40 7.678 1.641 2.337 1.00 0.14 H new ATOM 0 HG21 ILE A 40 4.329 2.596 3.691 1.00 0.16 H new ATOM 0 HG22 ILE A 40 4.976 3.731 4.900 1.00 0.16 H new ATOM 0 HG23 ILE A 40 5.055 4.135 3.168 1.00 0.16 H new ATOM 0 HD11 ILE A 40 5.879 0.511 1.121 1.00 0.16 H new ATOM 0 HD12 ILE A 40 5.810 0.109 2.854 1.00 0.16 H new ATOM 0 HD13 ILE A 40 4.667 1.288 2.167 1.00 0.16 H new ATOM 620 N SER A 41 7.631 3.568 6.519 1.00 0.21 N ATOM 621 CA SER A 41 7.397 4.058 7.870 1.00 0.28 C ATOM 622 C SER A 41 8.246 5.293 8.160 1.00 0.30 C ATOM 623 O SER A 41 7.759 6.273 8.721 1.00 0.34 O ATOM 624 CB SER A 41 7.673 2.952 8.895 1.00 0.37 C ATOM 625 OG SER A 41 8.908 2.300 8.637 1.00 1.13 O ATOM 0 H SER A 41 8.011 2.623 6.473 1.00 0.21 H new ATOM 0 HA SER A 41 6.350 4.349 7.951 1.00 0.28 H new ATOM 0 HB2 SER A 41 7.688 3.379 9.898 1.00 0.37 H new ATOM 0 HB3 SER A 41 6.863 2.223 8.872 1.00 0.37 H new ATOM 0 HG SER A 41 9.351 2.727 7.874 1.00 1.13 H new ATOM 631 N GLU A 42 9.507 5.244 7.755 1.00 0.32 N ATOM 632 CA GLU A 42 10.409 6.370 7.951 1.00 0.37 C ATOM 633 C GLU A 42 10.000 7.552 7.071 1.00 0.31 C ATOM 634 O GLU A 42 10.173 8.708 7.455 1.00 0.44 O ATOM 635 CB GLU A 42 11.855 5.961 7.657 1.00 0.46 C ATOM 636 CG GLU A 42 12.879 7.013 8.055 1.00 0.59 C ATOM 637 CD GLU A 42 12.840 7.333 9.538 1.00 1.45 C ATOM 638 OE1 GLU A 42 13.542 6.657 10.317 1.00 2.23 O ATOM 639 OE2 GLU A 42 12.114 8.266 9.931 1.00 2.00 O ATOM 0 H GLU A 42 9.928 4.439 7.290 1.00 0.32 H new ATOM 0 HA GLU A 42 10.343 6.679 8.994 1.00 0.37 H new ATOM 0 HB2 GLU A 42 12.076 5.033 8.185 1.00 0.46 H new ATOM 0 HB3 GLU A 42 11.955 5.753 6.592 1.00 0.46 H new ATOM 0 HG2 GLU A 42 13.876 6.663 7.789 1.00 0.59 H new ATOM 0 HG3 GLU A 42 12.698 7.925 7.485 1.00 0.59 H new ATOM 646 N ALA A 43 9.436 7.256 5.903 1.00 0.18 N ATOM 647 CA ALA A 43 9.036 8.293 4.955 1.00 0.16 C ATOM 648 C ALA A 43 7.995 9.232 5.556 1.00 0.17 C ATOM 649 O ALA A 43 8.159 10.452 5.523 1.00 0.25 O ATOM 650 CB ALA A 43 8.498 7.674 3.676 1.00 0.19 C ATOM 0 H ALA A 43 9.245 6.304 5.589 1.00 0.18 H new ATOM 0 HA ALA A 43 9.925 8.878 4.720 1.00 0.16 H new ATOM 0 HB1 ALA A 43 8.206 8.464 2.984 1.00 0.19 H new ATOM 0 HB2 ALA A 43 9.271 7.057 3.217 1.00 0.19 H new ATOM 0 HB3 ALA A 43 7.631 7.056 3.908 1.00 0.19 H new ATOM 656 N PHE A 44 6.926 8.665 6.103 1.00 0.19 N ATOM 657 CA PHE A 44 5.855 9.472 6.679 1.00 0.26 C ATOM 658 C PHE A 44 6.102 9.740 8.160 1.00 0.30 C ATOM 659 O PHE A 44 5.339 10.452 8.812 1.00 0.35 O ATOM 660 CB PHE A 44 4.495 8.797 6.488 1.00 0.27 C ATOM 661 CG PHE A 44 4.080 8.660 5.052 1.00 0.27 C ATOM 662 CD1 PHE A 44 3.452 9.705 4.396 1.00 1.15 C ATOM 663 CD2 PHE A 44 4.313 7.484 4.358 1.00 1.10 C ATOM 664 CE1 PHE A 44 3.066 9.581 3.076 1.00 1.15 C ATOM 665 CE2 PHE A 44 3.927 7.355 3.037 1.00 1.13 C ATOM 666 CZ PHE A 44 3.303 8.406 2.396 1.00 0.31 C ATOM 0 H PHE A 44 6.777 7.658 6.160 1.00 0.19 H new ATOM 0 HA PHE A 44 5.847 10.426 6.152 1.00 0.26 H new ATOM 0 HB2 PHE A 44 4.525 7.807 6.943 1.00 0.27 H new ATOM 0 HB3 PHE A 44 3.737 9.371 7.022 1.00 0.27 H new ATOM 0 HD1 PHE A 44 3.262 10.628 4.923 1.00 1.15 H new ATOM 0 HD2 PHE A 44 4.802 6.659 4.855 1.00 1.10 H new ATOM 0 HE1 PHE A 44 2.578 10.405 2.576 1.00 1.15 H new ATOM 0 HE2 PHE A 44 4.114 6.433 2.507 1.00 1.13 H new ATOM 0 HZ PHE A 44 3.001 8.308 1.364 1.00 0.31 H new ATOM 676 N GLY A 45 7.179 9.163 8.677 1.00 0.29 N ATOM 677 CA GLY A 45 7.558 9.371 10.061 1.00 0.35 C ATOM 678 C GLY A 45 6.602 8.721 11.041 1.00 0.37 C ATOM 679 O GLY A 45 6.039 9.395 11.903 1.00 0.43 O ATOM 0 H GLY A 45 7.803 8.548 8.155 1.00 0.29 H new ATOM 0 HA2 GLY A 45 8.560 8.973 10.221 1.00 0.35 H new ATOM 0 HA3 GLY A 45 7.604 10.441 10.262 1.00 0.35 H new ATOM 683 N PHE A 46 6.414 7.415 10.916 1.00 0.36 N ATOM 684 CA PHE A 46 5.536 6.689 11.821 1.00 0.39 C ATOM 685 C PHE A 46 6.095 5.299 12.101 1.00 0.40 C ATOM 686 O PHE A 46 7.019 4.842 11.426 1.00 0.41 O ATOM 687 CB PHE A 46 4.112 6.595 11.246 1.00 0.37 C ATOM 688 CG PHE A 46 3.964 5.672 10.062 1.00 0.30 C ATOM 689 CD1 PHE A 46 4.381 6.060 8.800 1.00 1.27 C ATOM 690 CD2 PHE A 46 3.389 4.420 10.215 1.00 1.17 C ATOM 691 CE1 PHE A 46 4.232 5.216 7.714 1.00 1.26 C ATOM 692 CE2 PHE A 46 3.239 3.572 9.135 1.00 1.18 C ATOM 693 CZ PHE A 46 3.661 3.970 7.882 1.00 0.22 C ATOM 0 H PHE A 46 6.856 6.839 10.200 1.00 0.36 H new ATOM 0 HA PHE A 46 5.484 7.238 12.761 1.00 0.39 H new ATOM 0 HB2 PHE A 46 3.439 6.260 12.035 1.00 0.37 H new ATOM 0 HB3 PHE A 46 3.788 7.593 10.952 1.00 0.37 H new ATOM 0 HD1 PHE A 46 4.828 7.033 8.662 1.00 1.27 H new ATOM 0 HD2 PHE A 46 3.054 4.103 11.192 1.00 1.17 H new ATOM 0 HE1 PHE A 46 4.562 5.531 6.735 1.00 1.26 H new ATOM 0 HE2 PHE A 46 2.792 2.598 9.271 1.00 1.18 H new ATOM 0 HZ PHE A 46 3.545 3.309 7.036 1.00 0.22 H new ATOM 703 N GLU A 47 5.539 4.638 13.104 1.00 0.42 N ATOM 704 CA GLU A 47 5.958 3.293 13.471 1.00 0.44 C ATOM 705 C GLU A 47 4.987 2.278 12.894 1.00 0.40 C ATOM 706 O GLU A 47 3.806 2.574 12.715 1.00 0.39 O ATOM 707 CB GLU A 47 6.006 3.152 14.990 1.00 0.53 C ATOM 708 CG GLU A 47 7.046 4.035 15.652 1.00 0.59 C ATOM 709 CD GLU A 47 7.024 3.909 17.158 1.00 1.14 C ATOM 710 OE1 GLU A 47 7.490 2.875 17.678 1.00 1.56 O ATOM 711 OE2 GLU A 47 6.527 4.837 17.827 1.00 1.92 O ATOM 0 H GLU A 47 4.789 5.015 13.684 1.00 0.42 H new ATOM 0 HA GLU A 47 6.954 3.112 13.067 1.00 0.44 H new ATOM 0 HB2 GLU A 47 5.025 3.392 15.399 1.00 0.53 H new ATOM 0 HB3 GLU A 47 6.211 2.112 15.243 1.00 0.53 H new ATOM 0 HG2 GLU A 47 8.036 3.769 15.281 1.00 0.59 H new ATOM 0 HG3 GLU A 47 6.869 5.074 15.373 1.00 0.59 H new ATOM 718 N ARG A 48 5.470 1.066 12.648 1.00 0.41 N ATOM 719 CA ARG A 48 4.677 0.057 11.961 1.00 0.40 C ATOM 720 C ARG A 48 3.706 -0.598 12.934 1.00 0.41 C ATOM 721 O ARG A 48 2.735 -1.227 12.529 1.00 0.43 O ATOM 722 CB ARG A 48 5.577 -1.010 11.335 1.00 0.44 C ATOM 723 CG ARG A 48 6.620 -0.454 10.378 1.00 0.61 C ATOM 724 CD ARG A 48 7.436 -1.565 9.738 1.00 0.91 C ATOM 725 NE ARG A 48 8.088 -2.419 10.734 1.00 1.18 N ATOM 726 CZ ARG A 48 8.819 -3.494 10.433 1.00 1.88 C ATOM 727 NH1 ARG A 48 9.012 -3.834 9.165 1.00 2.57 N ATOM 728 NH2 ARG A 48 9.359 -4.225 11.399 1.00 2.20 N ATOM 0 H ARG A 48 6.406 0.759 12.914 1.00 0.41 H new ATOM 0 HA ARG A 48 4.116 0.549 11.166 1.00 0.40 H new ATOM 0 HB2 ARG A 48 6.083 -1.556 12.131 1.00 0.44 H new ATOM 0 HB3 ARG A 48 4.955 -1.728 10.801 1.00 0.44 H new ATOM 0 HG2 ARG A 48 6.128 0.131 9.601 1.00 0.61 H new ATOM 0 HG3 ARG A 48 7.284 0.224 10.915 1.00 0.61 H new ATOM 0 HD2 ARG A 48 6.787 -2.174 9.109 1.00 0.91 H new ATOM 0 HD3 ARG A 48 8.192 -1.128 9.086 1.00 0.91 H new ATOM 0 HE ARG A 48 7.976 -2.177 11.719 1.00 1.18 H new ATOM 0 HH11 ARG A 48 8.601 -3.273 8.418 1.00 2.57 H new ATOM 0 HH12 ARG A 48 9.571 -4.656 8.937 1.00 2.57 H new ATOM 0 HH21 ARG A 48 9.216 -3.966 12.375 1.00 2.20 H new ATOM 0 HH22 ARG A 48 9.917 -5.046 11.166 1.00 2.20 H new ATOM 742 N GLU A 49 3.991 -0.460 14.222 1.00 0.42 N ATOM 743 CA GLU A 49 3.132 -1.021 15.256 1.00 0.46 C ATOM 744 C GLU A 49 2.003 -0.058 15.606 1.00 0.42 C ATOM 745 O GLU A 49 1.030 -0.435 16.257 1.00 0.46 O ATOM 746 CB GLU A 49 3.951 -1.343 16.507 1.00 0.56 C ATOM 747 CG GLU A 49 5.091 -2.317 16.259 1.00 1.14 C ATOM 748 CD GLU A 49 4.619 -3.630 15.674 1.00 1.54 C ATOM 749 OE1 GLU A 49 4.070 -4.461 16.428 1.00 2.06 O ATOM 750 OE2 GLU A 49 4.787 -3.836 14.455 1.00 2.23 O ATOM 0 H GLU A 49 4.810 0.035 14.575 1.00 0.42 H new ATOM 0 HA GLU A 49 2.693 -1.941 14.871 1.00 0.46 H new ATOM 0 HB2 GLU A 49 4.358 -0.417 16.912 1.00 0.56 H new ATOM 0 HB3 GLU A 49 3.289 -1.759 17.267 1.00 0.56 H new ATOM 0 HG2 GLU A 49 5.813 -1.861 15.582 1.00 1.14 H new ATOM 0 HG3 GLU A 49 5.611 -2.508 17.198 1.00 1.14 H new ATOM 757 N ALA A 50 2.129 1.185 15.156 1.00 0.40 N ATOM 758 CA ALA A 50 1.134 2.210 15.452 1.00 0.42 C ATOM 759 C ALA A 50 0.056 2.250 14.375 1.00 0.37 C ATOM 760 O ALA A 50 -0.846 3.089 14.416 1.00 0.41 O ATOM 761 CB ALA A 50 1.804 3.570 15.586 1.00 0.48 C ATOM 0 H ALA A 50 2.910 1.508 14.585 1.00 0.40 H new ATOM 0 HA ALA A 50 0.656 1.960 16.399 1.00 0.42 H new ATOM 0 HB1 ALA A 50 1.051 4.326 15.807 1.00 0.48 H new ATOM 0 HB2 ALA A 50 2.534 3.538 16.395 1.00 0.48 H new ATOM 0 HB3 ALA A 50 2.308 3.821 14.652 1.00 0.48 H new ATOM 767 N VAL A 51 0.171 1.343 13.410 1.00 0.33 N ATOM 768 CA VAL A 51 -0.772 1.263 12.296 1.00 0.31 C ATOM 769 C VAL A 51 -2.228 1.252 12.753 1.00 0.36 C ATOM 770 O VAL A 51 -3.041 1.993 12.214 1.00 0.41 O ATOM 771 CB VAL A 51 -0.512 0.032 11.399 1.00 0.29 C ATOM 772 CG1 VAL A 51 0.784 0.202 10.630 1.00 0.27 C ATOM 773 CG2 VAL A 51 -0.482 -1.253 12.216 1.00 0.33 C ATOM 0 H VAL A 51 0.915 0.646 13.376 1.00 0.33 H new ATOM 0 HA VAL A 51 -0.602 2.169 11.714 1.00 0.31 H new ATOM 0 HB VAL A 51 -1.335 -0.044 10.688 1.00 0.29 H new ATOM 0 HG11 VAL A 51 0.953 -0.674 10.003 1.00 0.27 H new ATOM 0 HG12 VAL A 51 0.721 1.091 10.002 1.00 0.27 H new ATOM 0 HG13 VAL A 51 1.611 0.311 11.331 1.00 0.27 H new ATOM 0 HG21 VAL A 51 -0.297 -2.100 11.555 1.00 0.33 H new ATOM 0 HG22 VAL A 51 0.313 -1.193 12.960 1.00 0.33 H new ATOM 0 HG23 VAL A 51 -1.440 -1.387 12.718 1.00 0.33 H new ATOM 783 N SER A 52 -2.552 0.439 13.755 1.00 0.37 N ATOM 784 CA SER A 52 -3.931 0.302 14.211 1.00 0.45 C ATOM 785 C SER A 52 -4.481 1.646 14.692 1.00 0.48 C ATOM 786 O SER A 52 -5.601 2.030 14.347 1.00 0.51 O ATOM 787 CB SER A 52 -4.013 -0.744 15.325 1.00 0.53 C ATOM 788 OG SER A 52 -5.356 -1.034 15.672 1.00 1.24 O ATOM 0 H SER A 52 -1.880 -0.134 14.265 1.00 0.37 H new ATOM 0 HA SER A 52 -4.543 -0.030 13.372 1.00 0.45 H new ATOM 0 HB2 SER A 52 -3.514 -1.658 15.003 1.00 0.53 H new ATOM 0 HB3 SER A 52 -3.480 -0.382 16.204 1.00 0.53 H new ATOM 0 HG SER A 52 -5.372 -1.706 16.385 1.00 1.24 H new ATOM 794 N GLY A 53 -3.681 2.352 15.485 1.00 0.51 N ATOM 795 CA GLY A 53 -4.058 3.671 15.957 1.00 0.57 C ATOM 796 C GLY A 53 -4.390 4.629 14.826 1.00 0.55 C ATOM 797 O GLY A 53 -5.359 5.387 14.913 1.00 0.59 O ATOM 0 H GLY A 53 -2.770 2.030 15.811 1.00 0.51 H new ATOM 0 HA2 GLY A 53 -4.921 3.583 16.617 1.00 0.57 H new ATOM 0 HA3 GLY A 53 -3.244 4.086 16.551 1.00 0.57 H new ATOM 801 N ILE A 54 -3.593 4.590 13.765 1.00 0.50 N ATOM 802 CA ILE A 54 -3.810 5.460 12.613 1.00 0.51 C ATOM 803 C ILE A 54 -5.002 4.965 11.791 1.00 0.50 C ATOM 804 O ILE A 54 -5.833 5.753 11.345 1.00 0.57 O ATOM 805 CB ILE A 54 -2.554 5.533 11.712 1.00 0.49 C ATOM 806 CG1 ILE A 54 -1.302 5.788 12.559 1.00 0.48 C ATOM 807 CG2 ILE A 54 -2.713 6.633 10.667 1.00 0.55 C ATOM 808 CD1 ILE A 54 -0.015 5.770 11.763 1.00 0.49 C ATOM 0 H ILE A 54 -2.791 3.966 13.677 1.00 0.50 H new ATOM 0 HA ILE A 54 -4.018 6.461 12.992 1.00 0.51 H new ATOM 0 HB ILE A 54 -2.441 4.577 11.200 1.00 0.49 H new ATOM 0 HG12 ILE A 54 -1.399 6.754 13.054 1.00 0.48 H new ATOM 0 HG13 ILE A 54 -1.245 5.033 13.343 1.00 0.48 H new ATOM 0 HG21 ILE A 54 -1.821 6.672 10.041 1.00 0.55 H new ATOM 0 HG22 ILE A 54 -3.584 6.422 10.046 1.00 0.55 H new ATOM 0 HG23 ILE A 54 -2.848 7.592 11.166 1.00 0.55 H new ATOM 0 HD11 ILE A 54 0.827 5.958 12.429 1.00 0.49 H new ATOM 0 HD12 ILE A 54 0.107 4.796 11.290 1.00 0.49 H new ATOM 0 HD13 ILE A 54 -0.051 6.544 10.996 1.00 0.49 H new ATOM 820 N LEU A 55 -5.074 3.649 11.607 1.00 0.47 N ATOM 821 CA LEU A 55 -6.173 3.018 10.872 1.00 0.48 C ATOM 822 C LEU A 55 -7.530 3.373 11.474 1.00 0.55 C ATOM 823 O LEU A 55 -8.529 3.436 10.766 1.00 0.65 O ATOM 824 CB LEU A 55 -5.999 1.497 10.839 1.00 0.48 C ATOM 825 CG LEU A 55 -4.789 0.997 10.047 1.00 0.46 C ATOM 826 CD1 LEU A 55 -4.697 -0.519 10.106 1.00 0.52 C ATOM 827 CD2 LEU A 55 -4.865 1.472 8.606 1.00 0.46 C ATOM 0 H LEU A 55 -4.378 2.992 11.960 1.00 0.47 H new ATOM 0 HA LEU A 55 -6.144 3.403 9.853 1.00 0.48 H new ATOM 0 HB2 LEU A 55 -5.918 1.134 11.864 1.00 0.48 H new ATOM 0 HB3 LEU A 55 -6.900 1.053 10.414 1.00 0.48 H new ATOM 0 HG LEU A 55 -3.888 1.410 10.500 1.00 0.46 H new ATOM 0 HD11 LEU A 55 -3.830 -0.853 9.536 1.00 0.52 H new ATOM 0 HD12 LEU A 55 -4.594 -0.837 11.143 1.00 0.52 H new ATOM 0 HD13 LEU A 55 -5.601 -0.955 9.680 1.00 0.52 H new ATOM 0 HD21 LEU A 55 -3.997 1.108 8.057 1.00 0.46 H new ATOM 0 HD22 LEU A 55 -5.774 1.088 8.144 1.00 0.46 H new ATOM 0 HD23 LEU A 55 -4.878 2.562 8.582 1.00 0.46 H new ATOM 1167 N LYS B 5 -2.584 -9.997 -3.571 1.00 0.41 N ATOM 1168 CA LYS B 5 -1.479 -9.207 -3.037 1.00 0.36 C ATOM 1169 C LYS B 5 -0.809 -8.382 -4.136 1.00 0.27 C ATOM 1170 O LYS B 5 -0.327 -7.282 -3.882 1.00 0.25 O ATOM 1171 CB LYS B 5 -0.462 -10.119 -2.338 1.00 0.42 C ATOM 1172 CG LYS B 5 -0.192 -11.421 -3.080 1.00 0.41 C ATOM 1173 CD LYS B 5 0.740 -12.334 -2.302 1.00 0.54 C ATOM 1174 CE LYS B 5 0.653 -13.768 -2.802 1.00 0.73 C ATOM 1175 NZ LYS B 5 -0.676 -14.381 -2.521 1.00 1.14 N ATOM 0 HA LYS B 5 -1.881 -8.510 -2.301 1.00 0.36 H new ATOM 0 HB2 LYS B 5 0.477 -9.578 -2.220 1.00 0.42 H new ATOM 0 HB3 LYS B 5 -0.824 -10.351 -1.336 1.00 0.42 H new ATOM 0 HG2 LYS B 5 -1.135 -11.936 -3.264 1.00 0.41 H new ATOM 0 HG3 LYS B 5 0.246 -11.200 -4.054 1.00 0.41 H new ATOM 0 HD2 LYS B 5 1.765 -11.976 -2.395 1.00 0.54 H new ATOM 0 HD3 LYS B 5 0.485 -12.300 -1.243 1.00 0.54 H new ATOM 0 HE2 LYS B 5 0.842 -13.789 -3.875 1.00 0.73 H new ATOM 0 HE3 LYS B 5 1.434 -14.364 -2.329 1.00 0.73 H new ATOM 0 HZ1 LYS B 5 -0.607 -15.415 -2.607 1.00 1.14 H new ATOM 0 HZ2 LYS B 5 -0.976 -14.133 -1.556 1.00 1.14 H new ATOM 0 HZ3 LYS B 5 -1.375 -14.023 -3.203 1.00 1.14 H new ATOM 1189 N GLU B 6 -0.792 -8.915 -5.357 1.00 0.29 N ATOM 1190 CA GLU B 6 -0.285 -8.179 -6.511 1.00 0.36 C ATOM 1191 C GLU B 6 -1.153 -6.955 -6.782 1.00 0.38 C ATOM 1192 O GLU B 6 -0.649 -5.852 -6.980 1.00 0.40 O ATOM 1193 CB GLU B 6 -0.267 -9.057 -7.768 1.00 0.49 C ATOM 1194 CG GLU B 6 0.648 -10.270 -7.688 1.00 0.99 C ATOM 1195 CD GLU B 6 0.148 -11.334 -6.731 1.00 1.46 C ATOM 1196 OE1 GLU B 6 -1.085 -11.456 -6.564 1.00 2.11 O ATOM 1197 OE2 GLU B 6 0.978 -12.065 -6.162 1.00 2.00 O ATOM 0 H GLU B 6 -1.124 -9.855 -5.571 1.00 0.29 H new ATOM 0 HA GLU B 6 0.734 -7.870 -6.278 1.00 0.36 H new ATOM 0 HB2 GLU B 6 -1.282 -9.398 -7.970 1.00 0.49 H new ATOM 0 HB3 GLU B 6 0.038 -8.445 -8.617 1.00 0.49 H new ATOM 0 HG2 GLU B 6 0.752 -10.705 -8.682 1.00 0.99 H new ATOM 0 HG3 GLU B 6 1.641 -9.948 -7.376 1.00 0.99 H new ATOM 1204 N GLU B 7 -2.462 -7.175 -6.780 1.00 0.41 N ATOM 1205 CA GLU B 7 -3.439 -6.119 -7.030 1.00 0.48 C ATOM 1206 C GLU B 7 -3.311 -5.020 -5.984 1.00 0.40 C ATOM 1207 O GLU B 7 -3.319 -3.830 -6.307 1.00 0.39 O ATOM 1208 CB GLU B 7 -4.852 -6.709 -7.005 1.00 0.61 C ATOM 1209 CG GLU B 7 -5.099 -7.750 -8.089 1.00 0.74 C ATOM 1210 CD GLU B 7 -6.284 -8.647 -7.783 1.00 0.95 C ATOM 1211 OE1 GLU B 7 -7.145 -8.251 -6.974 1.00 1.25 O ATOM 1212 OE2 GLU B 7 -6.345 -9.770 -8.326 1.00 1.68 O ATOM 0 H GLU B 7 -2.878 -8.090 -6.605 1.00 0.41 H new ATOM 0 HA GLU B 7 -3.249 -5.685 -8.012 1.00 0.48 H new ATOM 0 HB2 GLU B 7 -5.030 -7.163 -6.030 1.00 0.61 H new ATOM 0 HB3 GLU B 7 -5.576 -5.902 -7.117 1.00 0.61 H new ATOM 0 HG2 GLU B 7 -5.267 -7.245 -9.040 1.00 0.74 H new ATOM 0 HG3 GLU B 7 -4.206 -8.363 -8.208 1.00 0.74 H new ATOM 1219 N ILE B 8 -3.172 -5.432 -4.732 1.00 0.37 N ATOM 1220 CA ILE B 8 -2.998 -4.496 -3.635 1.00 0.35 C ATOM 1221 C ILE B 8 -1.694 -3.721 -3.805 1.00 0.27 C ATOM 1222 O ILE B 8 -1.691 -2.492 -3.780 1.00 0.24 O ATOM 1223 CB ILE B 8 -2.996 -5.215 -2.266 1.00 0.39 C ATOM 1224 CG1 ILE B 8 -4.261 -6.066 -2.094 1.00 0.54 C ATOM 1225 CG2 ILE B 8 -2.881 -4.204 -1.133 1.00 0.42 C ATOM 1226 CD1 ILE B 8 -5.550 -5.271 -2.119 1.00 0.96 C ATOM 0 H ILE B 8 -3.177 -6.413 -4.452 1.00 0.37 H new ATOM 0 HA ILE B 8 -3.842 -3.806 -3.656 1.00 0.35 H new ATOM 0 HB ILE B 8 -2.131 -5.877 -2.232 1.00 0.39 H new ATOM 0 HG12 ILE B 8 -4.293 -6.814 -2.886 1.00 0.54 H new ATOM 0 HG13 ILE B 8 -4.197 -6.605 -1.149 1.00 0.54 H new ATOM 0 HG21 ILE B 8 -2.881 -4.727 -0.177 1.00 0.42 H new ATOM 0 HG22 ILE B 8 -1.953 -3.643 -1.239 1.00 0.42 H new ATOM 0 HG23 ILE B 8 -3.727 -3.517 -1.171 1.00 0.42 H new ATOM 0 HD11 ILE B 8 -6.396 -5.946 -1.991 1.00 0.96 H new ATOM 0 HD12 ILE B 8 -5.543 -4.541 -1.310 1.00 0.96 H new ATOM 0 HD13 ILE B 8 -5.640 -4.753 -3.074 1.00 0.96 H new ATOM 1238 N ALA B 9 -0.595 -4.449 -4.005 1.00 0.24 N ATOM 1239 CA ALA B 9 0.723 -3.839 -4.178 1.00 0.20 C ATOM 1240 C ALA B 9 0.742 -2.868 -5.352 1.00 0.19 C ATOM 1241 O ALA B 9 1.404 -1.829 -5.298 1.00 0.16 O ATOM 1242 CB ALA B 9 1.782 -4.913 -4.368 1.00 0.21 C ATOM 0 H ALA B 9 -0.592 -5.468 -4.051 1.00 0.24 H new ATOM 0 HA ALA B 9 0.946 -3.273 -3.274 1.00 0.20 H new ATOM 0 HB1 ALA B 9 2.757 -4.444 -4.495 1.00 0.21 H new ATOM 0 HB2 ALA B 9 1.803 -5.562 -3.493 1.00 0.21 H new ATOM 0 HB3 ALA B 9 1.546 -5.505 -5.252 1.00 0.21 H new ATOM 1248 N ALA B 10 0.014 -3.211 -6.408 1.00 0.23 N ATOM 1249 CA ALA B 10 -0.107 -2.349 -7.573 1.00 0.25 C ATOM 1250 C ALA B 10 -0.710 -1.005 -7.185 1.00 0.23 C ATOM 1251 O ALA B 10 -0.179 0.051 -7.530 1.00 0.22 O ATOM 1252 CB ALA B 10 -0.950 -3.022 -8.646 1.00 0.33 C ATOM 0 H ALA B 10 -0.504 -4.087 -6.479 1.00 0.23 H new ATOM 0 HA ALA B 10 0.890 -2.173 -7.976 1.00 0.25 H new ATOM 0 HB1 ALA B 10 -1.031 -2.364 -9.511 1.00 0.33 H new ATOM 0 HB2 ALA B 10 -0.479 -3.958 -8.945 1.00 0.33 H new ATOM 0 HB3 ALA B 10 -1.945 -3.227 -8.252 1.00 0.33 H new ATOM 1258 N LEU B 11 -1.813 -1.048 -6.450 1.00 0.27 N ATOM 1259 CA LEU B 11 -2.465 0.167 -5.982 1.00 0.29 C ATOM 1260 C LEU B 11 -1.533 0.908 -5.028 1.00 0.26 C ATOM 1261 O LEU B 11 -1.451 2.133 -5.051 1.00 0.29 O ATOM 1262 CB LEU B 11 -3.797 -0.185 -5.292 1.00 0.38 C ATOM 1263 CG LEU B 11 -4.757 0.983 -4.994 1.00 0.75 C ATOM 1264 CD1 LEU B 11 -4.313 1.779 -3.774 1.00 1.56 C ATOM 1265 CD2 LEU B 11 -4.884 1.897 -6.204 1.00 0.63 C ATOM 0 H LEU B 11 -2.275 -1.912 -6.165 1.00 0.27 H new ATOM 0 HA LEU B 11 -2.684 0.817 -6.829 1.00 0.29 H new ATOM 0 HB2 LEU B 11 -4.323 -0.906 -5.918 1.00 0.38 H new ATOM 0 HB3 LEU B 11 -3.570 -0.686 -4.351 1.00 0.38 H new ATOM 0 HG LEU B 11 -5.734 0.553 -4.774 1.00 0.75 H new ATOM 0 HD11 LEU B 11 -5.015 2.594 -3.596 1.00 1.56 H new ATOM 0 HD12 LEU B 11 -4.288 1.125 -2.902 1.00 1.56 H new ATOM 0 HD13 LEU B 11 -3.318 2.189 -3.949 1.00 1.56 H new ATOM 0 HD21 LEU B 11 -5.566 2.715 -5.972 1.00 0.63 H new ATOM 0 HD22 LEU B 11 -3.905 2.302 -6.458 1.00 0.63 H new ATOM 0 HD23 LEU B 11 -5.272 1.329 -7.050 1.00 0.63 H new ATOM 1277 N ILE B 12 -0.821 0.141 -4.214 1.00 0.21 N ATOM 1278 CA ILE B 12 0.107 0.683 -3.231 1.00 0.20 C ATOM 1279 C ILE B 12 1.196 1.541 -3.878 1.00 0.18 C ATOM 1280 O ILE B 12 1.341 2.719 -3.546 1.00 0.20 O ATOM 1281 CB ILE B 12 0.744 -0.458 -2.409 1.00 0.18 C ATOM 1282 CG1 ILE B 12 -0.309 -1.069 -1.480 1.00 0.22 C ATOM 1283 CG2 ILE B 12 1.947 0.037 -1.618 1.00 0.20 C ATOM 1284 CD1 ILE B 12 0.175 -2.273 -0.700 1.00 0.24 C ATOM 0 H ILE B 12 -0.871 -0.878 -4.217 1.00 0.21 H new ATOM 0 HA ILE B 12 -0.466 1.330 -2.566 1.00 0.20 H new ATOM 0 HB ILE B 12 1.102 -1.226 -3.095 1.00 0.18 H new ATOM 0 HG12 ILE B 12 -0.644 -0.306 -0.778 1.00 0.22 H new ATOM 0 HG13 ILE B 12 -1.176 -1.359 -2.073 1.00 0.22 H new ATOM 0 HG21 ILE B 12 2.374 -0.789 -1.050 1.00 0.20 H new ATOM 0 HG22 ILE B 12 2.697 0.431 -2.304 1.00 0.20 H new ATOM 0 HG23 ILE B 12 1.633 0.825 -0.933 1.00 0.20 H new ATOM 0 HD11 ILE B 12 -0.631 -2.644 -0.067 1.00 0.24 H new ATOM 0 HD12 ILE B 12 0.482 -3.056 -1.393 1.00 0.24 H new ATOM 0 HD13 ILE B 12 1.023 -1.986 -0.077 1.00 0.24 H new ATOM 1296 N VAL B 13 1.949 0.962 -4.808 1.00 0.16 N ATOM 1297 CA VAL B 13 3.034 1.693 -5.456 1.00 0.16 C ATOM 1298 C VAL B 13 2.487 2.846 -6.294 1.00 0.16 C ATOM 1299 O VAL B 13 3.068 3.927 -6.339 1.00 0.18 O ATOM 1300 CB VAL B 13 3.922 0.772 -6.330 1.00 0.15 C ATOM 1301 CG1 VAL B 13 4.625 -0.262 -5.467 1.00 0.16 C ATOM 1302 CG2 VAL B 13 3.115 0.087 -7.422 1.00 0.14 C ATOM 0 H VAL B 13 1.831 0.001 -5.127 1.00 0.16 H new ATOM 0 HA VAL B 13 3.661 2.097 -4.661 1.00 0.16 H new ATOM 0 HB VAL B 13 4.671 1.399 -6.814 1.00 0.15 H new ATOM 0 HG11 VAL B 13 5.245 -0.901 -6.096 1.00 0.16 H new ATOM 0 HG12 VAL B 13 5.253 0.243 -4.733 1.00 0.16 H new ATOM 0 HG13 VAL B 13 3.883 -0.871 -4.951 1.00 0.16 H new ATOM 0 HG21 VAL B 13 3.772 -0.550 -8.014 1.00 0.14 H new ATOM 0 HG22 VAL B 13 2.332 -0.521 -6.969 1.00 0.14 H new ATOM 0 HG23 VAL B 13 2.662 0.840 -8.067 1.00 0.14 H new ATOM 1312 N ASN B 14 1.353 2.611 -6.937 1.00 0.18 N ATOM 1313 CA ASN B 14 0.696 3.636 -7.736 1.00 0.21 C ATOM 1314 C ASN B 14 0.258 4.811 -6.857 1.00 0.19 C ATOM 1315 O ASN B 14 0.297 5.969 -7.276 1.00 0.20 O ATOM 1316 CB ASN B 14 -0.502 3.030 -8.468 1.00 0.30 C ATOM 1317 CG ASN B 14 -1.167 3.992 -9.432 1.00 0.42 C ATOM 1318 OD1 ASN B 14 -0.537 4.906 -9.962 1.00 0.45 O ATOM 1319 ND2 ASN B 14 -2.450 3.777 -9.679 1.00 0.57 N ATOM 0 H ASN B 14 0.866 1.715 -6.921 1.00 0.18 H new ATOM 0 HA ASN B 14 1.403 4.017 -8.473 1.00 0.21 H new ATOM 0 HB2 ASN B 14 -0.175 2.146 -9.016 1.00 0.30 H new ATOM 0 HB3 ASN B 14 -1.236 2.697 -7.734 1.00 0.30 H new ATOM 0 HD21 ASN B 14 -2.952 4.381 -10.330 1.00 0.57 H new ATOM 0 HD22 ASN B 14 -2.936 3.008 -9.218 1.00 0.57 H new ATOM 1326 N TYR B 15 -0.139 4.504 -5.628 1.00 0.22 N ATOM 1327 CA TYR B 15 -0.561 5.528 -4.680 1.00 0.24 C ATOM 1328 C TYR B 15 0.624 6.393 -4.256 1.00 0.21 C ATOM 1329 O TYR B 15 0.528 7.619 -4.239 1.00 0.23 O ATOM 1330 CB TYR B 15 -1.226 4.902 -3.451 1.00 0.29 C ATOM 1331 CG TYR B 15 -1.832 5.921 -2.511 1.00 0.38 C ATOM 1332 CD1 TYR B 15 -3.023 6.562 -2.830 1.00 1.30 C ATOM 1333 CD2 TYR B 15 -1.211 6.250 -1.311 1.00 1.19 C ATOM 1334 CE1 TYR B 15 -3.580 7.500 -1.981 1.00 1.39 C ATOM 1335 CE2 TYR B 15 -1.762 7.188 -0.458 1.00 1.21 C ATOM 1336 CZ TYR B 15 -2.946 7.809 -0.797 1.00 0.64 C ATOM 1337 OH TYR B 15 -3.494 8.746 0.048 1.00 0.79 O ATOM 0 H TYR B 15 -0.178 3.552 -5.264 1.00 0.22 H new ATOM 0 HA TYR B 15 -1.294 6.161 -5.180 1.00 0.24 H new ATOM 0 HB2 TYR B 15 -2.005 4.214 -3.780 1.00 0.29 H new ATOM 0 HB3 TYR B 15 -0.487 4.312 -2.908 1.00 0.29 H new ATOM 0 HD1 TYR B 15 -3.522 6.323 -3.757 1.00 1.30 H new ATOM 0 HD2 TYR B 15 -0.284 5.765 -1.041 1.00 1.19 H new ATOM 0 HE1 TYR B 15 -4.507 7.988 -2.244 1.00 1.39 H new ATOM 0 HE2 TYR B 15 -1.267 7.434 0.470 1.00 1.21 H new ATOM 0 HH TYR B 15 -4.469 8.742 -0.048 1.00 0.79 H new ATOM 1347 N PHE B 16 1.746 5.758 -3.926 1.00 0.20 N ATOM 1348 CA PHE B 16 2.943 6.500 -3.538 1.00 0.20 C ATOM 1349 C PHE B 16 3.468 7.320 -4.707 1.00 0.19 C ATOM 1350 O PHE B 16 3.986 8.421 -4.520 1.00 0.20 O ATOM 1351 CB PHE B 16 4.045 5.568 -3.022 1.00 0.20 C ATOM 1352 CG PHE B 16 3.732 4.900 -1.709 1.00 0.20 C ATOM 1353 CD1 PHE B 16 3.239 5.631 -0.635 1.00 0.91 C ATOM 1354 CD2 PHE B 16 3.946 3.541 -1.541 1.00 1.04 C ATOM 1355 CE1 PHE B 16 2.965 5.018 0.570 1.00 0.91 C ATOM 1356 CE2 PHE B 16 3.671 2.926 -0.337 1.00 1.04 C ATOM 1357 CZ PHE B 16 3.182 3.664 0.720 1.00 0.22 C ATOM 0 H PHE B 16 1.852 4.744 -3.919 1.00 0.20 H new ATOM 0 HA PHE B 16 2.659 7.171 -2.727 1.00 0.20 H new ATOM 0 HB2 PHE B 16 4.233 4.799 -3.771 1.00 0.20 H new ATOM 0 HB3 PHE B 16 4.966 6.140 -2.914 1.00 0.20 H new ATOM 0 HD1 PHE B 16 3.068 6.692 -0.745 1.00 0.91 H new ATOM 0 HD2 PHE B 16 4.333 2.956 -2.363 1.00 1.04 H new ATOM 0 HE1 PHE B 16 2.581 5.598 1.396 1.00 0.91 H new ATOM 0 HE2 PHE B 16 3.839 1.865 -0.222 1.00 1.04 H new ATOM 0 HZ PHE B 16 2.969 3.183 1.663 1.00 0.22 H new ATOM 1367 N SER B 17 3.314 6.784 -5.913 1.00 0.19 N ATOM 1368 CA SER B 17 3.705 7.493 -7.123 1.00 0.20 C ATOM 1369 C SER B 17 2.891 8.779 -7.257 1.00 0.20 C ATOM 1370 O SER B 17 3.379 9.794 -7.756 1.00 0.24 O ATOM 1371 CB SER B 17 3.502 6.597 -8.349 1.00 0.21 C ATOM 1372 OG SER B 17 3.979 7.216 -9.533 1.00 0.90 O ATOM 0 H SER B 17 2.920 5.858 -6.077 1.00 0.19 H new ATOM 0 HA SER B 17 4.761 7.753 -7.059 1.00 0.20 H new ATOM 0 HB2 SER B 17 4.021 5.650 -8.198 1.00 0.21 H new ATOM 0 HB3 SER B 17 2.443 6.366 -8.460 1.00 0.21 H new ATOM 0 HG SER B 17 3.836 6.617 -10.296 1.00 0.90 H new ATOM 1378 N SER B 18 1.650 8.729 -6.796 1.00 0.24 N ATOM 1379 CA SER B 18 0.787 9.896 -6.797 1.00 0.25 C ATOM 1380 C SER B 18 1.220 10.874 -5.702 1.00 0.25 C ATOM 1381 O SER B 18 1.305 12.081 -5.933 1.00 0.29 O ATOM 1382 CB SER B 18 -0.669 9.466 -6.591 1.00 0.26 C ATOM 1383 OG SER B 18 -1.560 10.553 -6.758 1.00 0.84 O ATOM 0 H SER B 18 1.218 7.887 -6.415 1.00 0.24 H new ATOM 0 HA SER B 18 0.869 10.401 -7.760 1.00 0.25 H new ATOM 0 HB2 SER B 18 -0.920 8.677 -7.299 1.00 0.26 H new ATOM 0 HB3 SER B 18 -0.788 9.047 -5.592 1.00 0.26 H new ATOM 0 HG SER B 18 -2.480 10.245 -6.622 1.00 0.84 H new ATOM 1389 N ILE B 19 1.525 10.340 -4.523 1.00 0.23 N ATOM 1390 CA ILE B 19 1.935 11.159 -3.383 1.00 0.24 C ATOM 1391 C ILE B 19 3.199 11.958 -3.696 1.00 0.25 C ATOM 1392 O ILE B 19 3.277 13.151 -3.394 1.00 0.28 O ATOM 1393 CB ILE B 19 2.170 10.298 -2.117 1.00 0.24 C ATOM 1394 CG1 ILE B 19 0.881 9.572 -1.715 1.00 0.25 C ATOM 1395 CG2 ILE B 19 2.681 11.151 -0.959 1.00 0.27 C ATOM 1396 CD1 ILE B 19 -0.279 10.501 -1.412 1.00 0.27 C ATOM 0 H ILE B 19 1.496 9.339 -4.330 1.00 0.23 H new ATOM 0 HA ILE B 19 1.117 11.853 -3.187 1.00 0.24 H new ATOM 0 HB ILE B 19 2.932 9.555 -2.353 1.00 0.24 H new ATOM 0 HG12 ILE B 19 0.591 8.895 -2.519 1.00 0.25 H new ATOM 0 HG13 ILE B 19 1.080 8.958 -0.837 1.00 0.25 H new ATOM 0 HG21 ILE B 19 2.837 10.520 -0.084 1.00 0.27 H new ATOM 0 HG22 ILE B 19 3.624 11.620 -1.241 1.00 0.27 H new ATOM 0 HG23 ILE B 19 1.948 11.923 -0.724 1.00 0.27 H new ATOM 0 HD11 ILE B 19 -1.154 9.912 -1.136 1.00 0.27 H new ATOM 0 HD12 ILE B 19 -0.011 11.161 -0.587 1.00 0.27 H new ATOM 0 HD13 ILE B 19 -0.507 11.098 -2.295 1.00 0.27 H new ATOM 1408 N VAL B 20 4.185 11.305 -4.305 1.00 0.25 N ATOM 1409 CA VAL B 20 5.432 11.973 -4.645 1.00 0.28 C ATOM 1410 C VAL B 20 5.236 12.947 -5.806 1.00 0.33 C ATOM 1411 O VAL B 20 5.881 13.995 -5.860 1.00 0.34 O ATOM 1412 CB VAL B 20 6.558 10.967 -4.980 1.00 0.28 C ATOM 1413 CG1 VAL B 20 6.830 10.057 -3.793 1.00 0.26 C ATOM 1414 CG2 VAL B 20 6.224 10.145 -6.216 1.00 0.30 C ATOM 0 H VAL B 20 4.143 10.321 -4.571 1.00 0.25 H new ATOM 0 HA VAL B 20 5.738 12.534 -3.762 1.00 0.28 H new ATOM 0 HB VAL B 20 7.460 11.540 -5.197 1.00 0.28 H new ATOM 0 HG11 VAL B 20 7.625 9.356 -4.047 1.00 0.26 H new ATOM 0 HG12 VAL B 20 7.136 10.658 -2.936 1.00 0.26 H new ATOM 0 HG13 VAL B 20 5.924 9.504 -3.543 1.00 0.26 H new ATOM 0 HG21 VAL B 20 7.038 9.449 -6.421 1.00 0.30 H new ATOM 0 HG22 VAL B 20 5.304 9.587 -6.044 1.00 0.30 H new ATOM 0 HG23 VAL B 20 6.091 10.809 -7.070 1.00 0.30 H new ATOM 1424 N GLU B 21 4.339 12.598 -6.729 1.00 0.39 N ATOM 1425 CA GLU B 21 4.008 13.472 -7.849 1.00 0.49 C ATOM 1426 C GLU B 21 3.354 14.761 -7.357 1.00 0.49 C ATOM 1427 O GLU B 21 3.721 15.857 -7.783 1.00 0.53 O ATOM 1428 CB GLU B 21 3.074 12.759 -8.828 1.00 0.60 C ATOM 1429 CG GLU B 21 2.763 13.574 -10.072 1.00 1.24 C ATOM 1430 CD GLU B 21 1.774 12.889 -10.987 1.00 1.84 C ATOM 1431 OE1 GLU B 21 2.171 11.947 -11.702 1.00 2.40 O ATOM 1432 OE2 GLU B 21 0.591 13.291 -10.999 1.00 2.49 O ATOM 0 H GLU B 21 3.829 11.714 -6.721 1.00 0.39 H new ATOM 0 HA GLU B 21 4.936 13.725 -8.363 1.00 0.49 H new ATOM 0 HB2 GLU B 21 3.527 11.814 -9.127 1.00 0.60 H new ATOM 0 HB3 GLU B 21 2.141 12.519 -8.318 1.00 0.60 H new ATOM 0 HG2 GLU B 21 2.365 14.544 -9.775 1.00 1.24 H new ATOM 0 HG3 GLU B 21 3.687 13.762 -10.618 1.00 1.24 H new ATOM 1439 N LYS B 22 2.391 14.627 -6.449 1.00 0.47 N ATOM 1440 CA LYS B 22 1.697 15.786 -5.896 1.00 0.50 C ATOM 1441 C LYS B 22 2.556 16.479 -4.845 1.00 0.43 C ATOM 1442 O LYS B 22 2.209 17.550 -4.350 1.00 0.44 O ATOM 1443 CB LYS B 22 0.359 15.369 -5.282 1.00 0.58 C ATOM 1444 CG LYS B 22 -0.558 14.644 -6.252 1.00 0.68 C ATOM 1445 CD LYS B 22 -1.886 14.289 -5.604 1.00 0.81 C ATOM 1446 CE LYS B 22 -2.748 13.439 -6.524 1.00 0.72 C ATOM 1447 NZ LYS B 22 -2.954 14.078 -7.852 1.00 1.41 N ATOM 0 H LYS B 22 2.074 13.730 -6.081 1.00 0.47 H new ATOM 0 HA LYS B 22 1.509 16.486 -6.710 1.00 0.50 H new ATOM 0 HB2 LYS B 22 0.548 14.724 -4.424 1.00 0.58 H new ATOM 0 HB3 LYS B 22 -0.151 16.256 -4.908 1.00 0.58 H new ATOM 0 HG2 LYS B 22 -0.735 15.272 -7.125 1.00 0.68 H new ATOM 0 HG3 LYS B 22 -0.070 13.736 -6.606 1.00 0.68 H new ATOM 0 HD2 LYS B 22 -1.705 13.751 -4.674 1.00 0.81 H new ATOM 0 HD3 LYS B 22 -2.421 15.203 -5.345 1.00 0.81 H new ATOM 0 HE2 LYS B 22 -2.279 12.465 -6.661 1.00 0.72 H new ATOM 0 HE3 LYS B 22 -3.715 13.264 -6.053 1.00 0.72 H new ATOM 0 HZ1 LYS B 22 -3.702 13.573 -8.368 1.00 1.41 H new ATOM 0 HZ2 LYS B 22 -3.234 15.071 -7.720 1.00 1.41 H new ATOM 0 HZ3 LYS B 22 -2.069 14.038 -8.398 1.00 1.41 H new ATOM 1461 N LYS B 23 3.686 15.844 -4.528 1.00 0.37 N ATOM 1462 CA LYS B 23 4.649 16.357 -3.558 1.00 0.32 C ATOM 1463 C LYS B 23 3.997 16.595 -2.202 1.00 0.36 C ATOM 1464 O LYS B 23 4.308 17.563 -1.511 1.00 0.41 O ATOM 1465 CB LYS B 23 5.309 17.638 -4.081 1.00 0.36 C ATOM 1466 CG LYS B 23 6.080 17.426 -5.374 1.00 0.42 C ATOM 1467 CD LYS B 23 6.696 18.715 -5.890 1.00 0.57 C ATOM 1468 CE LYS B 23 7.384 18.497 -7.229 1.00 1.21 C ATOM 1469 NZ LYS B 23 7.952 19.757 -7.780 1.00 1.79 N ATOM 0 H LYS B 23 3.958 14.952 -4.942 1.00 0.37 H new ATOM 0 HA LYS B 23 5.423 15.602 -3.422 1.00 0.32 H new ATOM 0 HB2 LYS B 23 4.542 18.395 -4.242 1.00 0.36 H new ATOM 0 HB3 LYS B 23 5.986 18.027 -3.321 1.00 0.36 H new ATOM 0 HG2 LYS B 23 6.866 16.689 -5.210 1.00 0.42 H new ATOM 0 HG3 LYS B 23 5.412 17.016 -6.131 1.00 0.42 H new ATOM 0 HD2 LYS B 23 5.922 19.475 -5.995 1.00 0.57 H new ATOM 0 HD3 LYS B 23 7.417 19.093 -5.165 1.00 0.57 H new ATOM 0 HE2 LYS B 23 8.181 17.762 -7.111 1.00 1.21 H new ATOM 0 HE3 LYS B 23 6.669 18.081 -7.939 1.00 1.21 H new ATOM 0 HZ1 LYS B 23 8.411 19.561 -8.693 1.00 1.79 H new ATOM 0 HZ2 LYS B 23 7.189 20.450 -7.918 1.00 1.79 H new ATOM 0 HZ3 LYS B 23 8.653 20.141 -7.115 1.00 1.79 H new ATOM 1483 N GLU B 24 3.105 15.688 -1.816 1.00 0.38 N ATOM 1484 CA GLU B 24 2.422 15.786 -0.529 1.00 0.46 C ATOM 1485 C GLU B 24 3.329 15.340 0.609 1.00 0.40 C ATOM 1486 O GLU B 24 2.970 15.441 1.784 1.00 0.44 O ATOM 1487 CB GLU B 24 1.150 14.938 -0.517 1.00 0.57 C ATOM 1488 CG GLU B 24 0.001 15.528 -1.308 1.00 0.85 C ATOM 1489 CD GLU B 24 -1.304 14.809 -1.032 1.00 1.09 C ATOM 1490 OE1 GLU B 24 -1.650 14.640 0.160 1.00 1.66 O ATOM 1491 OE2 GLU B 24 -1.984 14.411 -1.996 1.00 1.84 O ATOM 0 H GLU B 24 2.838 14.877 -2.375 1.00 0.38 H new ATOM 0 HA GLU B 24 2.157 16.833 -0.385 1.00 0.46 H new ATOM 0 HB2 GLU B 24 1.382 13.951 -0.916 1.00 0.57 H new ATOM 0 HB3 GLU B 24 0.831 14.797 0.516 1.00 0.57 H new ATOM 0 HG2 GLU B 24 -0.107 16.584 -1.059 1.00 0.85 H new ATOM 0 HG3 GLU B 24 0.227 15.473 -2.373 1.00 0.85 H new ATOM 1498 N ILE B 25 4.502 14.842 0.260 1.00 0.36 N ATOM 1499 CA ILE B 25 5.444 14.357 1.249 1.00 0.33 C ATOM 1500 C ILE B 25 6.794 15.047 1.065 1.00 0.33 C ATOM 1501 O ILE B 25 7.171 15.406 -0.056 1.00 0.34 O ATOM 1502 CB ILE B 25 5.601 12.817 1.162 1.00 0.29 C ATOM 1503 CG1 ILE B 25 6.477 12.300 2.310 1.00 0.29 C ATOM 1504 CG2 ILE B 25 6.178 12.410 -0.187 1.00 0.26 C ATOM 1505 CD1 ILE B 25 6.570 10.791 2.378 1.00 0.28 C ATOM 0 H ILE B 25 4.824 14.763 -0.705 1.00 0.36 H new ATOM 0 HA ILE B 25 5.057 14.596 2.240 1.00 0.33 H new ATOM 0 HB ILE B 25 4.614 12.365 1.257 1.00 0.29 H new ATOM 0 HG12 ILE B 25 7.480 12.712 2.202 1.00 0.29 H new ATOM 0 HG13 ILE B 25 6.079 12.673 3.254 1.00 0.29 H new ATOM 0 HG21 ILE B 25 6.280 11.326 -0.227 1.00 0.26 H new ATOM 0 HG22 ILE B 25 5.511 12.741 -0.983 1.00 0.26 H new ATOM 0 HG23 ILE B 25 7.157 12.871 -0.318 1.00 0.26 H new ATOM 0 HD11 ILE B 25 7.206 10.503 3.215 1.00 0.28 H new ATOM 0 HD12 ILE B 25 5.574 10.371 2.518 1.00 0.28 H new ATOM 0 HD13 ILE B 25 6.997 10.411 1.450 1.00 0.28 H new ATOM 1517 N SER B 26 7.485 15.270 2.177 1.00 0.35 N ATOM 1518 CA SER B 26 8.792 15.913 2.178 1.00 0.38 C ATOM 1519 C SER B 26 9.771 15.192 1.248 1.00 0.34 C ATOM 1520 O SER B 26 9.661 13.981 1.054 1.00 0.31 O ATOM 1521 CB SER B 26 9.335 15.939 3.605 1.00 0.46 C ATOM 1522 OG SER B 26 8.377 16.486 4.498 1.00 1.47 O ATOM 0 H SER B 26 7.153 15.009 3.105 1.00 0.35 H new ATOM 0 HA SER B 26 8.681 16.932 1.807 1.00 0.38 H new ATOM 0 HB2 SER B 26 9.596 14.928 3.918 1.00 0.46 H new ATOM 0 HB3 SER B 26 10.251 16.530 3.640 1.00 0.46 H new ATOM 0 HG SER B 26 8.743 16.492 5.407 1.00 1.47 H new ATOM 1528 N GLU B 27 10.714 15.939 0.682 1.00 0.40 N ATOM 1529 CA GLU B 27 11.598 15.426 -0.368 1.00 0.45 C ATOM 1530 C GLU B 27 12.266 14.110 0.021 1.00 0.40 C ATOM 1531 O GLU B 27 12.224 13.139 -0.740 1.00 0.44 O ATOM 1532 CB GLU B 27 12.663 16.466 -0.716 1.00 0.69 C ATOM 1533 CG GLU B 27 12.082 17.772 -1.227 1.00 0.75 C ATOM 1534 CD GLU B 27 11.140 17.565 -2.392 1.00 1.21 C ATOM 1535 OE1 GLU B 27 11.619 17.247 -3.498 1.00 1.70 O ATOM 1536 OE2 GLU B 27 9.911 17.708 -2.207 1.00 1.87 O ATOM 0 H GLU B 27 10.889 16.912 0.934 1.00 0.40 H new ATOM 0 HA GLU B 27 10.975 15.229 -1.240 1.00 0.45 H new ATOM 0 HB2 GLU B 27 13.268 16.667 0.168 1.00 0.69 H new ATOM 0 HB3 GLU B 27 13.331 16.053 -1.472 1.00 0.69 H new ATOM 0 HG2 GLU B 27 11.550 18.272 -0.417 1.00 0.75 H new ATOM 0 HG3 GLU B 27 12.893 18.433 -1.532 1.00 0.75 H new ATOM 1543 N ASP B 28 12.861 14.072 1.209 1.00 0.38 N ATOM 1544 CA ASP B 28 13.557 12.875 1.673 1.00 0.39 C ATOM 1545 C ASP B 28 12.584 11.710 1.799 1.00 0.34 C ATOM 1546 O ASP B 28 12.890 10.583 1.402 1.00 0.38 O ATOM 1547 CB ASP B 28 14.240 13.130 3.016 1.00 0.46 C ATOM 1548 CG ASP B 28 15.086 11.955 3.465 1.00 1.00 C ATOM 1549 OD1 ASP B 28 16.246 11.855 3.026 1.00 1.84 O ATOM 1550 OD2 ASP B 28 14.599 11.129 4.265 1.00 1.64 O ATOM 0 H ASP B 28 12.876 14.852 1.866 1.00 0.38 H new ATOM 0 HA ASP B 28 14.321 12.622 0.938 1.00 0.39 H new ATOM 0 HB2 ASP B 28 14.868 14.018 2.939 1.00 0.46 H new ATOM 0 HB3 ASP B 28 13.483 13.339 3.772 1.00 0.46 H new ATOM 1555 N GLY B 29 11.405 11.998 2.334 1.00 0.30 N ATOM 1556 CA GLY B 29 10.369 10.992 2.445 1.00 0.30 C ATOM 1557 C GLY B 29 9.929 10.486 1.088 1.00 0.26 C ATOM 1558 O GLY B 29 9.726 9.286 0.905 1.00 0.24 O ATOM 0 H GLY B 29 11.147 12.917 2.695 1.00 0.30 H new ATOM 0 HA2 GLY B 29 10.735 10.157 3.043 1.00 0.30 H new ATOM 0 HA3 GLY B 29 9.512 11.410 2.973 1.00 0.30 H new ATOM 1562 N ALA B 30 9.783 11.403 0.135 1.00 0.24 N ATOM 1563 CA ALA B 30 9.438 11.047 -1.235 1.00 0.23 C ATOM 1564 C ALA B 30 10.453 10.075 -1.821 1.00 0.22 C ATOM 1565 O ALA B 30 10.085 9.063 -2.415 1.00 0.21 O ATOM 1566 CB ALA B 30 9.347 12.296 -2.100 1.00 0.24 C ATOM 0 H ALA B 30 9.900 12.404 0.290 1.00 0.24 H new ATOM 0 HA ALA B 30 8.465 10.555 -1.220 1.00 0.23 H new ATOM 0 HB1 ALA B 30 9.089 12.014 -3.121 1.00 0.24 H new ATOM 0 HB2 ALA B 30 8.579 12.959 -1.702 1.00 0.24 H new ATOM 0 HB3 ALA B 30 10.308 12.811 -2.098 1.00 0.24 H new ATOM 1572 N ASP B 31 11.732 10.380 -1.647 1.00 0.24 N ATOM 1573 CA ASP B 31 12.795 9.507 -2.135 1.00 0.25 C ATOM 1574 C ASP B 31 12.723 8.146 -1.453 1.00 0.24 C ATOM 1575 O ASP B 31 12.927 7.108 -2.085 1.00 0.23 O ATOM 1576 CB ASP B 31 14.166 10.136 -1.895 1.00 0.31 C ATOM 1577 CG ASP B 31 15.298 9.228 -2.331 1.00 0.77 C ATOM 1578 OD1 ASP B 31 15.547 9.122 -3.551 1.00 1.34 O ATOM 1579 OD2 ASP B 31 15.947 8.623 -1.453 1.00 1.47 O ATOM 0 H ASP B 31 12.059 11.222 -1.173 1.00 0.24 H new ATOM 0 HA ASP B 31 12.656 9.373 -3.208 1.00 0.25 H new ATOM 0 HB2 ASP B 31 14.231 11.080 -2.437 1.00 0.31 H new ATOM 0 HB3 ASP B 31 14.277 10.368 -0.836 1.00 0.31 H new ATOM 1584 N SER B 32 12.405 8.160 -0.165 1.00 0.24 N ATOM 1585 CA SER B 32 12.258 6.934 0.599 1.00 0.24 C ATOM 1586 C SER B 32 11.091 6.105 0.057 1.00 0.20 C ATOM 1587 O SER B 32 11.125 4.877 0.081 1.00 0.23 O ATOM 1588 CB SER B 32 12.050 7.265 2.079 1.00 0.26 C ATOM 1589 OG SER B 32 12.228 6.121 2.899 1.00 0.92 O ATOM 0 H SER B 32 12.244 9.012 0.372 1.00 0.24 H new ATOM 0 HA SER B 32 13.168 6.342 0.500 1.00 0.24 H new ATOM 0 HB2 SER B 32 12.752 8.043 2.381 1.00 0.26 H new ATOM 0 HB3 SER B 32 11.047 7.666 2.225 1.00 0.26 H new ATOM 0 HG SER B 32 11.353 5.744 3.129 1.00 0.92 H new ATOM 1595 N LEU B 33 10.062 6.780 -0.449 1.00 0.17 N ATOM 1596 CA LEU B 33 8.941 6.094 -1.083 1.00 0.15 C ATOM 1597 C LEU B 33 9.351 5.549 -2.444 1.00 0.14 C ATOM 1598 O LEU B 33 8.906 4.476 -2.849 1.00 0.13 O ATOM 1599 CB LEU B 33 7.740 7.029 -1.245 1.00 0.16 C ATOM 1600 CG LEU B 33 7.093 7.504 0.055 1.00 0.18 C ATOM 1601 CD1 LEU B 33 5.926 8.428 -0.248 1.00 0.21 C ATOM 1602 CD2 LEU B 33 6.636 6.315 0.891 1.00 0.19 C ATOM 0 H LEU B 33 9.982 7.797 -0.432 1.00 0.17 H new ATOM 0 HA LEU B 33 8.651 5.266 -0.436 1.00 0.15 H new ATOM 0 HB2 LEU B 33 8.057 7.904 -1.813 1.00 0.16 H new ATOM 0 HB3 LEU B 33 6.983 6.519 -1.841 1.00 0.16 H new ATOM 0 HG LEU B 33 7.834 8.059 0.631 1.00 0.18 H new ATOM 0 HD11 LEU B 33 5.473 8.760 0.686 1.00 0.21 H new ATOM 0 HD12 LEU B 33 6.283 9.294 -0.806 1.00 0.21 H new ATOM 0 HD13 LEU B 33 5.184 7.894 -0.842 1.00 0.21 H new ATOM 0 HD21 LEU B 33 6.178 6.673 1.813 1.00 0.19 H new ATOM 0 HD22 LEU B 33 5.908 5.732 0.327 1.00 0.19 H new ATOM 0 HD23 LEU B 33 7.495 5.688 1.132 1.00 0.19 H new ATOM 1614 N ASN B 34 10.201 6.292 -3.143 1.00 0.15 N ATOM 1615 CA ASN B 34 10.706 5.866 -4.445 1.00 0.16 C ATOM 1616 C ASN B 34 11.421 4.528 -4.335 1.00 0.16 C ATOM 1617 O ASN B 34 11.121 3.593 -5.082 1.00 0.17 O ATOM 1618 CB ASN B 34 11.649 6.916 -5.044 1.00 0.18 C ATOM 1619 CG ASN B 34 10.914 8.003 -5.805 1.00 0.18 C ATOM 1620 OD1 ASN B 34 10.683 7.882 -7.005 1.00 0.18 O ATOM 1621 ND2 ASN B 34 10.538 9.070 -5.119 1.00 0.21 N ATOM 0 H ASN B 34 10.557 7.195 -2.830 1.00 0.15 H new ATOM 0 HA ASN B 34 9.849 5.754 -5.109 1.00 0.16 H new ATOM 0 HB2 ASN B 34 12.233 7.371 -4.244 1.00 0.18 H new ATOM 0 HB3 ASN B 34 12.354 6.424 -5.714 1.00 0.18 H new ATOM 0 HD21 ASN B 34 10.039 9.827 -5.586 1.00 0.21 H new ATOM 0 HD22 ASN B 34 10.747 9.136 -4.123 1.00 0.21 H new ATOM 1628 N VAL B 35 12.340 4.425 -3.381 1.00 0.18 N ATOM 1629 CA VAL B 35 13.084 3.189 -3.184 1.00 0.20 C ATOM 1630 C VAL B 35 12.182 2.104 -2.600 1.00 0.18 C ATOM 1631 O VAL B 35 12.376 0.918 -2.864 1.00 0.21 O ATOM 1632 CB VAL B 35 14.323 3.394 -2.278 1.00 0.23 C ATOM 1633 CG1 VAL B 35 15.252 4.432 -2.880 1.00 0.26 C ATOM 1634 CG2 VAL B 35 13.923 3.800 -0.869 1.00 0.23 C ATOM 0 H VAL B 35 12.585 5.177 -2.737 1.00 0.18 H new ATOM 0 HA VAL B 35 13.439 2.870 -4.164 1.00 0.20 H new ATOM 0 HB VAL B 35 14.848 2.441 -2.214 1.00 0.23 H new ATOM 0 HG11 VAL B 35 16.118 4.565 -2.232 1.00 0.26 H new ATOM 0 HG12 VAL B 35 15.583 4.098 -3.863 1.00 0.26 H new ATOM 0 HG13 VAL B 35 14.723 5.380 -2.978 1.00 0.26 H new ATOM 0 HG21 VAL B 35 14.818 3.935 -0.261 1.00 0.23 H new ATOM 0 HG22 VAL B 35 13.364 4.735 -0.905 1.00 0.23 H new ATOM 0 HG23 VAL B 35 13.300 3.021 -0.429 1.00 0.23 H new ATOM 1644 N ALA B 36 11.183 2.518 -1.824 1.00 0.17 N ATOM 1645 CA ALA B 36 10.215 1.587 -1.262 1.00 0.17 C ATOM 1646 C ALA B 36 9.418 0.911 -2.369 1.00 0.15 C ATOM 1647 O ALA B 36 9.306 -0.313 -2.403 1.00 0.16 O ATOM 1648 CB ALA B 36 9.276 2.302 -0.300 1.00 0.18 C ATOM 0 H ALA B 36 11.025 3.494 -1.571 1.00 0.17 H new ATOM 0 HA ALA B 36 10.761 0.823 -0.709 1.00 0.17 H new ATOM 0 HB1 ALA B 36 8.561 1.588 0.108 1.00 0.18 H new ATOM 0 HB2 ALA B 36 9.854 2.742 0.513 1.00 0.18 H new ATOM 0 HB3 ALA B 36 8.740 3.088 -0.832 1.00 0.18 H new ATOM 1654 N MET B 37 8.876 1.719 -3.280 1.00 0.14 N ATOM 1655 CA MET B 37 8.100 1.214 -4.403 1.00 0.15 C ATOM 1656 C MET B 37 8.900 0.220 -5.230 1.00 0.15 C ATOM 1657 O MET B 37 8.368 -0.798 -5.667 1.00 0.18 O ATOM 1658 CB MET B 37 7.645 2.367 -5.293 1.00 0.16 C ATOM 1659 CG MET B 37 6.584 3.250 -4.664 1.00 0.16 C ATOM 1660 SD MET B 37 6.016 4.551 -5.776 1.00 0.21 S ATOM 1661 CE MET B 37 7.488 5.560 -5.927 1.00 0.19 C ATOM 0 H MET B 37 8.964 2.735 -3.258 1.00 0.14 H new ATOM 0 HA MET B 37 7.229 0.700 -3.996 1.00 0.15 H new ATOM 0 HB2 MET B 37 8.510 2.980 -5.546 1.00 0.16 H new ATOM 0 HB3 MET B 37 7.258 1.960 -6.227 1.00 0.16 H new ATOM 0 HG2 MET B 37 5.735 2.635 -4.366 1.00 0.16 H new ATOM 0 HG3 MET B 37 6.984 3.702 -3.756 1.00 0.16 H new ATOM 0 HE1 MET B 37 7.252 6.467 -6.483 1.00 0.19 H new ATOM 0 HE2 MET B 37 7.849 5.827 -4.934 1.00 0.19 H new ATOM 0 HE3 MET B 37 8.260 5.001 -6.456 1.00 0.19 H new ATOM 1671 N ASP B 38 10.176 0.522 -5.439 1.00 0.18 N ATOM 1672 CA ASP B 38 11.051 -0.351 -6.217 1.00 0.23 C ATOM 1673 C ASP B 38 11.216 -1.702 -5.530 1.00 0.19 C ATOM 1674 O ASP B 38 11.212 -2.750 -6.181 1.00 0.23 O ATOM 1675 CB ASP B 38 12.416 0.304 -6.421 1.00 0.34 C ATOM 1676 CG ASP B 38 13.344 -0.554 -7.254 1.00 0.90 C ATOM 1677 OD1 ASP B 38 13.207 -0.552 -8.498 1.00 1.68 O ATOM 1678 OD2 ASP B 38 14.214 -1.233 -6.674 1.00 1.42 O ATOM 0 H ASP B 38 10.629 1.363 -5.082 1.00 0.18 H new ATOM 0 HA ASP B 38 10.589 -0.512 -7.191 1.00 0.23 H new ATOM 0 HB2 ASP B 38 12.284 1.271 -6.907 1.00 0.34 H new ATOM 0 HB3 ASP B 38 12.874 0.495 -5.450 1.00 0.34 H new ATOM 1683 N CYS B 39 11.345 -1.672 -4.210 1.00 0.18 N ATOM 1684 CA CYS B 39 11.454 -2.895 -3.425 1.00 0.18 C ATOM 1685 C CYS B 39 10.161 -3.703 -3.515 1.00 0.16 C ATOM 1686 O CYS B 39 10.186 -4.933 -3.543 1.00 0.19 O ATOM 1687 CB CYS B 39 11.766 -2.565 -1.964 1.00 0.21 C ATOM 1688 SG CYS B 39 13.302 -1.644 -1.720 1.00 0.27 S ATOM 0 H CYS B 39 11.377 -0.814 -3.660 1.00 0.18 H new ATOM 0 HA CYS B 39 12.270 -3.493 -3.831 1.00 0.18 H new ATOM 0 HB2 CYS B 39 10.940 -1.987 -1.550 1.00 0.21 H new ATOM 0 HB3 CYS B 39 11.820 -3.495 -1.397 1.00 0.21 H new ATOM 0 HG CYS B 39 13.101 -0.387 -1.983 1.00 0.27 H new ATOM 1694 N ILE B 40 9.035 -3.001 -3.577 1.00 0.14 N ATOM 1695 CA ILE B 40 7.729 -3.645 -3.662 1.00 0.14 C ATOM 1696 C ILE B 40 7.524 -4.293 -5.031 1.00 0.16 C ATOM 1697 O ILE B 40 7.122 -5.456 -5.121 1.00 0.16 O ATOM 1698 CB ILE B 40 6.587 -2.636 -3.404 1.00 0.13 C ATOM 1699 CG1 ILE B 40 6.734 -2.008 -2.015 1.00 0.14 C ATOM 1700 CG2 ILE B 40 5.231 -3.318 -3.536 1.00 0.16 C ATOM 1701 CD1 ILE B 40 5.745 -0.894 -1.742 1.00 0.16 C ATOM 0 H ILE B 40 9.000 -1.982 -3.570 1.00 0.14 H new ATOM 0 HA ILE B 40 7.703 -4.415 -2.891 1.00 0.14 H new ATOM 0 HB ILE B 40 6.650 -1.846 -4.152 1.00 0.13 H new ATOM 0 HG12 ILE B 40 6.610 -2.785 -1.260 1.00 0.14 H new ATOM 0 HG13 ILE B 40 7.746 -1.618 -1.908 1.00 0.14 H new ATOM 0 HG21 ILE B 40 4.439 -2.592 -3.351 1.00 0.16 H new ATOM 0 HG22 ILE B 40 5.124 -3.723 -4.542 1.00 0.16 H new ATOM 0 HG23 ILE B 40 5.158 -4.127 -2.809 1.00 0.16 H new ATOM 0 HD11 ILE B 40 5.910 -0.498 -0.740 1.00 0.16 H new ATOM 0 HD12 ILE B 40 5.883 -0.098 -2.474 1.00 0.16 H new ATOM 0 HD13 ILE B 40 4.729 -1.283 -1.816 1.00 0.16 H new ATOM 1713 N SER B 41 7.816 -3.546 -6.090 1.00 0.21 N ATOM 1714 CA SER B 41 7.618 -4.037 -7.446 1.00 0.28 C ATOM 1715 C SER B 41 8.482 -5.266 -7.718 1.00 0.30 C ATOM 1716 O SER B 41 8.015 -6.247 -8.298 1.00 0.34 O ATOM 1717 CB SER B 41 7.911 -2.927 -8.460 1.00 0.37 C ATOM 1718 OG SER B 41 9.122 -2.260 -8.158 1.00 1.13 O ATOM 0 H SER B 41 8.190 -2.599 -6.034 1.00 0.21 H new ATOM 0 HA SER B 41 6.576 -4.337 -7.553 1.00 0.28 H new ATOM 0 HB2 SER B 41 7.968 -3.353 -9.462 1.00 0.37 H new ATOM 0 HB3 SER B 41 7.090 -2.210 -8.465 1.00 0.37 H new ATOM 0 HG SER B 41 9.556 -2.699 -7.397 1.00 1.13 H new ATOM 1724 N GLU B 42 9.732 -5.213 -7.279 1.00 0.32 N ATOM 1725 CA GLU B 42 10.645 -6.336 -7.451 1.00 0.38 C ATOM 1726 C GLU B 42 10.221 -7.518 -6.577 1.00 0.32 C ATOM 1727 O GLU B 42 10.416 -8.673 -6.948 1.00 0.44 O ATOM 1728 CB GLU B 42 12.079 -5.922 -7.120 1.00 0.46 C ATOM 1729 CG GLU B 42 13.115 -6.971 -7.495 1.00 0.60 C ATOM 1730 CD GLU B 42 13.121 -7.274 -8.981 1.00 1.45 C ATOM 1731 OE1 GLU B 42 13.800 -6.549 -9.737 1.00 2.23 O ATOM 1732 OE2 GLU B 42 12.443 -8.232 -9.407 1.00 2.00 O ATOM 0 H GLU B 42 10.137 -4.407 -6.802 1.00 0.32 H new ATOM 0 HA GLU B 42 10.605 -6.646 -8.495 1.00 0.38 H new ATOM 0 HB2 GLU B 42 12.310 -4.992 -7.640 1.00 0.46 H new ATOM 0 HB3 GLU B 42 12.152 -5.716 -6.052 1.00 0.46 H new ATOM 0 HG2 GLU B 42 14.104 -6.625 -7.194 1.00 0.60 H new ATOM 0 HG3 GLU B 42 12.916 -7.888 -6.941 1.00 0.60 H new ATOM 1739 N ALA B 43 9.625 -7.224 -5.426 1.00 0.19 N ATOM 1740 CA ALA B 43 9.206 -8.265 -4.491 1.00 0.17 C ATOM 1741 C ALA B 43 8.188 -9.210 -5.120 1.00 0.17 C ATOM 1742 O ALA B 43 8.359 -10.428 -5.089 1.00 0.25 O ATOM 1743 CB ALA B 43 8.632 -7.647 -3.226 1.00 0.20 C ATOM 0 H ALA B 43 9.421 -6.274 -5.117 1.00 0.19 H new ATOM 0 HA ALA B 43 10.091 -8.848 -4.234 1.00 0.17 H new ATOM 0 HB1 ALA B 43 8.325 -8.438 -2.541 1.00 0.20 H new ATOM 0 HB2 ALA B 43 9.390 -7.027 -2.748 1.00 0.20 H new ATOM 0 HB3 ALA B 43 7.768 -7.033 -3.481 1.00 0.20 H new ATOM 1749 N PHE B 44 7.130 -8.649 -5.693 1.00 0.19 N ATOM 1750 CA PHE B 44 6.079 -9.463 -6.295 1.00 0.25 C ATOM 1751 C PHE B 44 6.361 -9.729 -7.769 1.00 0.30 C ATOM 1752 O PHE B 44 5.613 -10.439 -8.441 1.00 0.35 O ATOM 1753 CB PHE B 44 4.713 -8.792 -6.139 1.00 0.27 C ATOM 1754 CG PHE B 44 4.259 -8.657 -4.714 1.00 0.26 C ATOM 1755 CD1 PHE B 44 3.618 -9.706 -4.077 1.00 1.15 C ATOM 1756 CD2 PHE B 44 4.469 -7.481 -4.013 1.00 1.10 C ATOM 1757 CE1 PHE B 44 3.197 -9.584 -2.768 1.00 1.15 C ATOM 1758 CE2 PHE B 44 4.047 -7.354 -2.704 1.00 1.12 C ATOM 1759 CZ PHE B 44 3.411 -8.408 -2.080 1.00 0.31 C ATOM 0 H PHE B 44 6.977 -7.642 -5.754 1.00 0.19 H new ATOM 0 HA PHE B 44 6.065 -10.418 -5.769 1.00 0.25 H new ATOM 0 HB2 PHE B 44 4.752 -7.802 -6.593 1.00 0.27 H new ATOM 0 HB3 PHE B 44 3.971 -9.367 -6.693 1.00 0.27 H new ATOM 0 HD1 PHE B 44 3.446 -10.629 -4.610 1.00 1.15 H new ATOM 0 HD2 PHE B 44 4.968 -6.654 -4.495 1.00 1.10 H new ATOM 0 HE1 PHE B 44 2.700 -10.410 -2.282 1.00 1.15 H new ATOM 0 HE2 PHE B 44 4.215 -6.431 -2.169 1.00 1.12 H new ATOM 0 HZ PHE B 44 3.082 -8.312 -1.056 1.00 0.31 H new ATOM 1769 N GLY B 45 7.452 -9.147 -8.258 1.00 0.29 N ATOM 1770 CA GLY B 45 7.867 -9.351 -9.633 1.00 0.35 C ATOM 1771 C GLY B 45 6.932 -8.707 -10.636 1.00 0.37 C ATOM 1772 O GLY B 45 6.392 -9.389 -11.506 1.00 0.43 O ATOM 0 H GLY B 45 8.061 -8.532 -7.719 1.00 0.29 H new ATOM 0 HA2 GLY B 45 8.870 -8.946 -9.768 1.00 0.35 H new ATOM 0 HA3 GLY B 45 7.925 -10.421 -9.834 1.00 0.35 H new ATOM 1776 N PHE B 46 6.733 -7.400 -10.518 1.00 0.36 N ATOM 1777 CA PHE B 46 5.873 -6.677 -11.446 1.00 0.39 C ATOM 1778 C PHE B 46 6.427 -5.281 -11.705 1.00 0.39 C ATOM 1779 O PHE B 46 7.311 -4.813 -10.988 1.00 0.40 O ATOM 1780 CB PHE B 46 4.435 -6.591 -10.908 1.00 0.36 C ATOM 1781 CG PHE B 46 4.252 -5.670 -9.728 1.00 0.30 C ATOM 1782 CD1 PHE B 46 4.640 -6.056 -8.456 1.00 1.27 C ATOM 1783 CD2 PHE B 46 3.675 -4.420 -9.895 1.00 1.17 C ATOM 1784 CE1 PHE B 46 4.458 -5.213 -7.374 1.00 1.26 C ATOM 1785 CE2 PHE B 46 3.494 -3.574 -8.818 1.00 1.17 C ATOM 1786 CZ PHE B 46 3.885 -3.970 -7.556 1.00 0.21 C ATOM 0 H PHE B 46 7.154 -6.821 -9.791 1.00 0.36 H new ATOM 0 HA PHE B 46 5.852 -7.226 -12.388 1.00 0.39 H new ATOM 0 HB2 PHE B 46 3.780 -6.259 -11.714 1.00 0.36 H new ATOM 0 HB3 PHE B 46 4.109 -7.591 -10.623 1.00 0.36 H new ATOM 0 HD1 PHE B 46 5.090 -7.026 -8.307 1.00 1.27 H new ATOM 0 HD2 PHE B 46 3.363 -4.104 -10.880 1.00 1.17 H new ATOM 0 HE1 PHE B 46 4.764 -5.527 -6.387 1.00 1.26 H new ATOM 0 HE2 PHE B 46 3.046 -2.602 -8.964 1.00 1.17 H new ATOM 0 HZ PHE B 46 3.743 -3.310 -6.713 1.00 0.21 H new ATOM 1796 N GLU B 47 5.904 -4.624 -12.731 1.00 0.41 N ATOM 1797 CA GLU B 47 6.326 -3.276 -13.086 1.00 0.44 C ATOM 1798 C GLU B 47 5.334 -2.264 -12.536 1.00 0.40 C ATOM 1799 O GLU B 47 4.151 -2.565 -12.385 1.00 0.39 O ATOM 1800 CB GLU B 47 6.416 -3.137 -14.604 1.00 0.53 C ATOM 1801 CG GLU B 47 7.483 -4.013 -15.237 1.00 0.59 C ATOM 1802 CD GLU B 47 7.513 -3.886 -16.744 1.00 1.14 C ATOM 1803 OE1 GLU B 47 7.966 -2.839 -17.247 1.00 1.55 O ATOM 1804 OE2 GLU B 47 7.071 -4.826 -17.436 1.00 1.92 O ATOM 0 H GLU B 47 5.179 -5.008 -13.338 1.00 0.41 H new ATOM 0 HA GLU B 47 7.309 -3.088 -12.654 1.00 0.44 H new ATOM 0 HB2 GLU B 47 5.449 -3.386 -15.040 1.00 0.53 H new ATOM 0 HB3 GLU B 47 6.619 -2.095 -14.853 1.00 0.53 H new ATOM 0 HG2 GLU B 47 8.458 -3.742 -14.833 1.00 0.59 H new ATOM 0 HG3 GLU B 47 7.303 -5.053 -14.966 1.00 0.59 H new ATOM 1811 N ARG B 48 5.805 -1.049 -12.278 1.00 0.41 N ATOM 1812 CA ARG B 48 4.990 -0.044 -11.611 1.00 0.40 C ATOM 1813 C ARG B 48 4.042 0.607 -12.607 1.00 0.41 C ATOM 1814 O ARG B 48 3.060 1.238 -12.226 1.00 0.43 O ATOM 1815 CB ARG B 48 5.870 1.025 -10.960 1.00 0.44 C ATOM 1816 CG ARG B 48 6.888 0.472 -9.975 1.00 0.61 C ATOM 1817 CD ARG B 48 7.686 1.587 -9.312 1.00 0.91 C ATOM 1818 NE ARG B 48 8.362 2.440 -10.289 1.00 1.19 N ATOM 1819 CZ ARG B 48 9.069 3.525 -9.969 1.00 1.88 C ATOM 1820 NH1 ARG B 48 9.228 3.871 -8.698 1.00 2.57 N ATOM 1821 NH2 ARG B 48 9.625 4.263 -10.920 1.00 2.20 N ATOM 0 H ARG B 48 6.746 -0.738 -12.521 1.00 0.41 H new ATOM 0 HA ARG B 48 4.410 -0.538 -10.832 1.00 0.40 H new ATOM 0 HB2 ARG B 48 6.396 1.573 -11.741 1.00 0.44 H new ATOM 0 HB3 ARG B 48 5.231 1.741 -10.443 1.00 0.44 H new ATOM 0 HG2 ARG B 48 6.376 -0.114 -9.212 1.00 0.61 H new ATOM 0 HG3 ARG B 48 7.567 -0.204 -10.494 1.00 0.61 H new ATOM 0 HD2 ARG B 48 7.019 2.195 -8.702 1.00 0.91 H new ATOM 0 HD3 ARG B 48 8.425 1.152 -8.639 1.00 0.91 H new ATOM 0 HE ARG B 48 8.288 2.190 -11.275 1.00 1.19 H new ATOM 0 HH11 ARG B 48 8.809 3.306 -7.959 1.00 2.57 H new ATOM 0 HH12 ARG B 48 9.770 4.702 -8.460 1.00 2.57 H new ATOM 0 HH21 ARG B 48 9.513 4.002 -11.900 1.00 2.20 H new ATOM 0 HH22 ARG B 48 10.165 5.092 -10.672 1.00 2.20 H new ATOM 1835 N GLU B 49 4.357 0.468 -13.887 1.00 0.42 N ATOM 1836 CA GLU B 49 3.522 1.025 -14.942 1.00 0.46 C ATOM 1837 C GLU B 49 2.413 0.053 -15.327 1.00 0.43 C ATOM 1838 O GLU B 49 1.465 0.419 -16.021 1.00 0.46 O ATOM 1839 CB GLU B 49 4.372 1.358 -16.169 1.00 0.57 C ATOM 1840 CG GLU B 49 5.499 2.338 -15.886 1.00 1.14 C ATOM 1841 CD GLU B 49 5.005 3.648 -15.308 1.00 1.54 C ATOM 1842 OE1 GLU B 49 4.477 4.484 -16.074 1.00 2.04 O ATOM 1843 OE2 GLU B 49 5.136 3.849 -14.085 1.00 2.24 O ATOM 0 H GLU B 49 5.185 -0.026 -14.220 1.00 0.42 H new ATOM 0 HA GLU B 49 3.064 1.940 -14.565 1.00 0.46 H new ATOM 0 HB2 GLU B 49 4.796 0.436 -16.567 1.00 0.57 H new ATOM 0 HB3 GLU B 49 3.728 1.773 -16.944 1.00 0.57 H new ATOM 0 HG2 GLU B 49 6.205 1.883 -15.191 1.00 1.14 H new ATOM 0 HG3 GLU B 49 6.043 2.536 -16.809 1.00 1.14 H new ATOM 1850 N ALA B 50 2.529 -1.187 -14.867 1.00 0.41 N ATOM 1851 CA ALA B 50 1.548 -2.217 -15.186 1.00 0.42 C ATOM 1852 C ALA B 50 0.444 -2.264 -14.138 1.00 0.37 C ATOM 1853 O ALA B 50 -0.451 -3.108 -14.200 1.00 0.41 O ATOM 1854 CB ALA B 50 2.227 -3.571 -15.304 1.00 0.48 C ATOM 0 H ALA B 50 3.294 -1.504 -14.271 1.00 0.41 H new ATOM 0 HA ALA B 50 1.092 -1.968 -16.144 1.00 0.42 H new ATOM 0 HB1 ALA B 50 1.483 -4.331 -15.542 1.00 0.48 H new ATOM 0 HB2 ALA B 50 2.976 -3.535 -16.095 1.00 0.48 H new ATOM 0 HB3 ALA B 50 2.710 -3.820 -14.359 1.00 0.48 H new ATOM 1860 N VAL B 51 0.529 -1.356 -13.169 1.00 0.33 N ATOM 1861 CA VAL B 51 -0.443 -1.283 -12.081 1.00 0.31 C ATOM 1862 C VAL B 51 -1.888 -1.280 -12.575 1.00 0.36 C ATOM 1863 O VAL B 51 -2.711 -2.021 -12.053 1.00 0.41 O ATOM 1864 CB VAL B 51 -0.215 -0.049 -11.179 1.00 0.29 C ATOM 1865 CG1 VAL B 51 1.062 -0.213 -10.375 1.00 0.26 C ATOM 1866 CG2 VAL B 51 -0.169 1.235 -11.996 1.00 0.33 C ATOM 0 H VAL B 51 1.268 -0.655 -13.115 1.00 0.33 H new ATOM 0 HA VAL B 51 -0.282 -2.189 -11.496 1.00 0.31 H new ATOM 0 HB VAL B 51 -1.058 0.025 -10.492 1.00 0.29 H new ATOM 0 HG11 VAL B 51 1.210 0.664 -9.744 1.00 0.26 H new ATOM 0 HG12 VAL B 51 0.986 -1.102 -9.749 1.00 0.26 H new ATOM 0 HG13 VAL B 51 1.908 -0.318 -11.054 1.00 0.26 H new ATOM 0 HG21 VAL B 51 -0.007 2.084 -11.331 1.00 0.33 H new ATOM 0 HG22 VAL B 51 0.646 1.178 -12.717 1.00 0.33 H new ATOM 0 HG23 VAL B 51 -1.113 1.363 -12.525 1.00 0.33 H new ATOM 1876 N SER B 52 -2.189 -0.473 -13.587 1.00 0.37 N ATOM 1877 CA SER B 52 -3.558 -0.341 -14.076 1.00 0.45 C ATOM 1878 C SER B 52 -4.087 -1.688 -14.572 1.00 0.47 C ATOM 1879 O SER B 52 -5.213 -2.080 -14.254 1.00 0.50 O ATOM 1880 CB SER B 52 -3.621 0.706 -15.191 1.00 0.53 C ATOM 1881 OG SER B 52 -4.960 0.996 -15.549 1.00 1.25 O ATOM 0 H SER B 52 -1.506 0.098 -14.084 1.00 0.37 H new ATOM 0 HA SER B 52 -4.191 -0.011 -13.252 1.00 0.45 H new ATOM 0 HB2 SER B 52 -3.124 1.619 -14.864 1.00 0.53 H new ATOM 0 HB3 SER B 52 -3.079 0.343 -16.064 1.00 0.53 H new ATOM 0 HG SER B 52 -4.970 1.669 -16.262 1.00 1.25 H new ATOM 1887 N GLY B 53 -3.263 -2.389 -15.345 1.00 0.50 N ATOM 1888 CA GLY B 53 -3.618 -3.711 -15.826 1.00 0.57 C ATOM 1889 C GLY B 53 -3.973 -4.669 -14.703 1.00 0.54 C ATOM 1890 O GLY B 53 -4.940 -5.427 -14.808 1.00 0.59 O ATOM 0 H GLY B 53 -2.347 -2.060 -15.649 1.00 0.50 H new ATOM 0 HA2 GLY B 53 -4.464 -3.629 -16.509 1.00 0.57 H new ATOM 0 HA3 GLY B 53 -2.785 -4.121 -16.397 1.00 0.57 H new ATOM 1894 N ILE B 54 -3.204 -4.627 -13.623 1.00 0.50 N ATOM 1895 CA ILE B 54 -3.448 -5.497 -12.478 1.00 0.51 C ATOM 1896 C ILE B 54 -4.664 -5.008 -11.690 1.00 0.50 C ATOM 1897 O ILE B 54 -5.504 -5.799 -11.268 1.00 0.57 O ATOM 1898 CB ILE B 54 -2.218 -5.563 -11.543 1.00 0.49 C ATOM 1899 CG1 ILE B 54 -0.943 -5.811 -12.359 1.00 0.48 C ATOM 1900 CG2 ILE B 54 -2.398 -6.665 -10.505 1.00 0.55 C ATOM 1901 CD1 ILE B 54 0.323 -5.786 -11.530 1.00 0.48 C ATOM 0 H ILE B 54 -2.406 -4.001 -13.515 1.00 0.50 H new ATOM 0 HA ILE B 54 -3.640 -6.499 -12.862 1.00 0.51 H new ATOM 0 HB ILE B 54 -2.125 -4.608 -11.026 1.00 0.49 H new ATOM 0 HG12 ILE B 54 -1.022 -6.778 -12.856 1.00 0.48 H new ATOM 0 HG13 ILE B 54 -0.870 -5.055 -13.141 1.00 0.48 H new ATOM 0 HG21 ILE B 54 -1.524 -6.699 -9.855 1.00 0.55 H new ATOM 0 HG22 ILE B 54 -3.287 -6.461 -9.908 1.00 0.55 H new ATOM 0 HG23 ILE B 54 -2.512 -7.625 -11.009 1.00 0.55 H new ATOM 0 HD11 ILE B 54 1.183 -5.969 -12.174 1.00 0.48 H new ATOM 0 HD12 ILE B 54 0.427 -4.811 -11.054 1.00 0.48 H new ATOM 0 HD13 ILE B 54 0.272 -6.560 -10.764 1.00 0.48 H new ATOM 1913 N LEU B 55 -4.748 -3.692 -11.509 1.00 0.46 N ATOM 1914 CA LEU B 55 -5.869 -3.067 -10.804 1.00 0.48 C ATOM 1915 C LEU B 55 -7.208 -3.426 -11.442 1.00 0.55 C ATOM 1916 O LEU B 55 -8.227 -3.487 -10.759 1.00 0.65 O ATOM 1917 CB LEU B 55 -5.705 -1.545 -10.765 1.00 0.48 C ATOM 1918 CG LEU B 55 -4.520 -1.038 -9.939 1.00 0.46 C ATOM 1919 CD1 LEU B 55 -4.437 0.479 -9.993 1.00 0.51 C ATOM 1920 CD2 LEU B 55 -4.632 -1.515 -8.500 1.00 0.45 C ATOM 0 H LEU B 55 -4.047 -3.031 -11.844 1.00 0.46 H new ATOM 0 HA LEU B 55 -5.863 -3.454 -9.785 1.00 0.48 H new ATOM 0 HB2 LEU B 55 -5.597 -1.181 -11.787 1.00 0.48 H new ATOM 0 HB3 LEU B 55 -6.620 -1.107 -10.365 1.00 0.48 H new ATOM 0 HG LEU B 55 -3.604 -1.445 -10.368 1.00 0.46 H new ATOM 0 HD11 LEU B 55 -3.588 0.818 -9.399 1.00 0.51 H new ATOM 0 HD12 LEU B 55 -4.308 0.800 -11.027 1.00 0.51 H new ATOM 0 HD13 LEU B 55 -5.355 0.908 -9.592 1.00 0.51 H new ATOM 0 HD21 LEU B 55 -3.782 -1.146 -7.927 1.00 0.45 H new ATOM 0 HD22 LEU B 55 -5.556 -1.137 -8.062 1.00 0.45 H new ATOM 0 HD23 LEU B 55 -4.639 -2.605 -8.477 1.00 0.45 H new