USER MOD reduce.3.24.130724 H: found=0, std=0, add=426, rem=0, adj=14 USER MOD reduce.3.24.130724 removed 427 hydrogens (0 hets) USER MOD ----------------------------------------------------------------- USER MOD scores for adjustable sidechains, with "set" totals for H,N and Q USER MOD "o" means original, "f" means flipped, "180deg" is methyl default USER MOD "!" flags a clash with an overlap of 0.40A or greater USER MOD flip categories: "K"=keep, "C"=clashes, "X"=uncertain, "F"=flip USER MOD Set 1.1: A 18 LYS NZ :NH3+ 163:sc= 1.29 (180deg=1.13) USER MOD Set 1.2: A 46 SER OG : rot 59:sc= 1.22 USER MOD Set 2.1: A 35 THR OG1 : rot 180:sc= 0 USER MOD Set 2.2: A 37 ASN : amide:sc= 0.961 K(o=0.96,f=-0.82) USER MOD Set 3.1: A 19 SER OG : rot 70:sc= 1.31 USER MOD Set 3.2: A 41 THR OG1 : rot -110:sc= 0.00394 USER MOD Single : A 3 CYS SG : rot 166:sc= -1.84 USER MOD Single : A 6 SER OG : rot -38:sc= 0.0388 USER MOD Single : A 8 LYS NZ :NH3+ -174:sc= 0.446 (180deg=0.424) USER MOD Single : A 16 SER OG : rot 165:sc= 0.271 USER MOD Single : A 21 THR OG1 : rot 180:sc= -0.0739 USER MOD Single : A 25 LYS NZ :NH3+ 176:sc= 1.31 (180deg=1.27) USER MOD Single : A 26 SER OG : rot 75:sc= 0.819 USER MOD Single : A 30 GLN : amide:sc= 0.687 K(o=0.69,f=-0.17) USER MOD Single : A 31 TYR OH : rot 180:sc= 0 USER MOD Single : A 33 LYS NZ :NH3+ 170:sc= 1.23 (180deg=1.17) USER MOD Single : A 42 ASN : amide:sc= 0.391 X(o=0.39,f=0) USER MOD ----------------------------------------------------------------- ATOM 18 N LEU A 2 -6.554 -1.598 -7.551 1.00 0.00 N ATOM 19 CA LEU A 2 -6.160 -2.938 -7.100 1.00 0.00 C ATOM 20 C LEU A 2 -4.671 -2.994 -6.753 1.00 0.00 C ATOM 21 O LEU A 2 -3.842 -2.296 -7.342 1.00 0.00 O ATOM 22 CB LEU A 2 -6.534 -3.987 -8.162 1.00 0.00 C ATOM 23 CG LEU A 2 -8.040 -4.088 -8.472 1.00 0.00 C ATOM 24 CD1 LEU A 2 -8.271 -5.170 -9.528 1.00 0.00 C ATOM 25 CD2 LEU A 2 -8.878 -4.443 -7.241 1.00 0.00 C ATOM 0 HA LEU A 2 -6.708 -3.169 -6.186 1.00 0.00 H new ATOM 0 HB2 LEU A 2 -6.003 -3.754 -9.085 1.00 0.00 H new ATOM 0 HB3 LEU A 2 -6.180 -4.963 -7.828 1.00 0.00 H new ATOM 0 HG LEU A 2 -8.354 -3.106 -8.826 1.00 0.00 H new ATOM 0 HD11 LEU A 2 -9.336 -5.242 -9.748 1.00 0.00 H new ATOM 0 HD12 LEU A 2 -7.729 -4.912 -10.438 1.00 0.00 H new ATOM 0 HD13 LEU A 2 -7.912 -6.128 -9.152 1.00 0.00 H new ATOM 0 HD21 LEU A 2 -9.930 -4.500 -7.521 1.00 0.00 H new ATOM 0 HD22 LEU A 2 -8.555 -5.406 -6.846 1.00 0.00 H new ATOM 0 HD23 LEU A 2 -8.747 -3.676 -6.478 1.00 0.00 H new ATOM 37 N CYS A 3 -4.343 -3.850 -5.782 1.00 0.00 N ATOM 38 CA CYS A 3 -3.037 -3.899 -5.150 1.00 0.00 C ATOM 39 C CYS A 3 -1.883 -4.248 -6.105 1.00 0.00 C ATOM 40 O CYS A 3 -2.012 -5.035 -7.039 1.00 0.00 O ATOM 41 CB CYS A 3 -3.214 -4.822 -3.932 1.00 0.00 C ATOM 42 SG CYS A 3 -1.702 -5.331 -3.099 1.00 0.00 S ATOM 0 H CYS A 3 -4.997 -4.540 -5.411 1.00 0.00 H new ATOM 0 HA CYS A 3 -2.708 -2.913 -4.821 1.00 0.00 H new ATOM 0 HB2 CYS A 3 -3.851 -4.315 -3.207 1.00 0.00 H new ATOM 0 HB3 CYS A 3 -3.746 -5.717 -4.254 1.00 0.00 H new ATOM 0 HG CYS A 3 -1.996 -5.844 -1.941 1.00 0.00 H new ATOM 48 N ALA A 4 -0.720 -3.660 -5.833 1.00 0.00 N ATOM 49 CA ALA A 4 0.511 -3.932 -6.586 1.00 0.00 C ATOM 50 C ALA A 4 1.061 -5.330 -6.245 1.00 0.00 C ATOM 51 O ALA A 4 1.641 -6.009 -7.095 1.00 0.00 O ATOM 52 CB ALA A 4 1.602 -2.917 -6.255 1.00 0.00 C ATOM 0 H ALA A 4 -0.600 -2.979 -5.083 1.00 0.00 H new ATOM 0 HA ALA A 4 0.252 -3.868 -7.643 1.00 0.00 H new ATOM 0 HB1 ALA A 4 2.499 -3.147 -6.829 1.00 0.00 H new ATOM 0 HB2 ALA A 4 1.256 -1.915 -6.509 1.00 0.00 H new ATOM 0 HB3 ALA A 4 1.831 -2.963 -5.190 1.00 0.00 H new ATOM 58 N ILE A 5 0.916 -5.726 -4.968 1.00 0.00 N ATOM 59 CA ILE A 5 1.551 -6.916 -4.391 1.00 0.00 C ATOM 60 C ILE A 5 0.863 -8.201 -4.884 1.00 0.00 C ATOM 61 O ILE A 5 1.548 -9.130 -5.318 1.00 0.00 O ATOM 62 CB ILE A 5 1.615 -6.810 -2.843 1.00 0.00 C ATOM 63 CG1 ILE A 5 2.666 -5.782 -2.366 1.00 0.00 C ATOM 64 CG2 ILE A 5 1.982 -8.185 -2.244 1.00 0.00 C ATOM 65 CD1 ILE A 5 2.116 -4.356 -2.239 1.00 0.00 C ATOM 0 H ILE A 5 0.342 -5.215 -4.298 1.00 0.00 H new ATOM 0 HA ILE A 5 2.582 -6.970 -4.739 1.00 0.00 H new ATOM 0 HB ILE A 5 0.632 -6.481 -2.506 1.00 0.00 H new ATOM 0 HG12 ILE A 5 3.059 -6.098 -1.400 1.00 0.00 H new ATOM 0 HG13 ILE A 5 3.502 -5.779 -3.065 1.00 0.00 H new ATOM 0 HG21 ILE A 5 2.026 -8.108 -1.158 1.00 0.00 H new ATOM 0 HG22 ILE A 5 1.226 -8.918 -2.526 1.00 0.00 H new ATOM 0 HG23 ILE A 5 2.953 -8.501 -2.625 1.00 0.00 H new ATOM 0 HD11 ILE A 5 2.909 -3.689 -1.900 1.00 0.00 H new ATOM 0 HD12 ILE A 5 1.749 -4.020 -3.209 1.00 0.00 H new ATOM 0 HD13 ILE A 5 1.299 -4.344 -1.518 1.00 0.00 H new ATOM 77 N SER A 6 -0.476 -8.261 -4.831 1.00 0.00 N ATOM 78 CA SER A 6 -1.255 -9.428 -5.294 1.00 0.00 C ATOM 79 C SER A 6 -2.485 -9.072 -6.141 1.00 0.00 C ATOM 80 O SER A 6 -3.073 -9.954 -6.771 1.00 0.00 O ATOM 81 CB SER A 6 -1.647 -10.311 -4.102 1.00 0.00 C ATOM 82 OG SER A 6 -1.955 -11.642 -4.491 1.00 0.00 O ATOM 0 H SER A 6 -1.053 -7.503 -4.466 1.00 0.00 H new ATOM 0 HA SER A 6 -0.597 -9.982 -5.963 1.00 0.00 H new ATOM 0 HB2 SER A 6 -0.830 -10.326 -3.381 1.00 0.00 H new ATOM 0 HB3 SER A 6 -2.509 -9.874 -3.598 1.00 0.00 H new ATOM 0 HG SER A 6 -2.438 -11.630 -5.344 1.00 0.00 H new ATOM 88 N GLY A 7 -2.886 -7.793 -6.196 1.00 0.00 N ATOM 89 CA GLY A 7 -4.072 -7.370 -6.953 1.00 0.00 C ATOM 90 C GLY A 7 -5.386 -7.546 -6.196 1.00 0.00 C ATOM 91 O GLY A 7 -6.475 -7.426 -6.759 1.00 0.00 O ATOM 0 H GLY A 7 -2.402 -7.030 -5.722 1.00 0.00 H new ATOM 0 HA2 GLY A 7 -3.960 -6.321 -7.228 1.00 0.00 H new ATOM 0 HA3 GLY A 7 -4.120 -7.939 -7.881 1.00 0.00 H new ATOM 95 N LYS A 8 -5.256 -7.810 -4.898 1.00 0.00 N ATOM 96 CA LYS A 8 -6.293 -7.854 -3.877 1.00 0.00 C ATOM 97 C LYS A 8 -7.150 -6.589 -3.894 1.00 0.00 C ATOM 98 O LYS A 8 -6.609 -5.485 -3.976 1.00 0.00 O ATOM 99 CB LYS A 8 -5.545 -8.015 -2.535 1.00 0.00 C ATOM 100 CG LYS A 8 -6.436 -8.164 -1.300 1.00 0.00 C ATOM 101 CD LYS A 8 -7.156 -9.516 -1.308 1.00 0.00 C ATOM 102 CE LYS A 8 -8.132 -9.633 -0.126 1.00 0.00 C ATOM 103 NZ LYS A 8 -9.359 -8.804 -0.318 1.00 0.00 N ATOM 0 H LYS A 8 -4.339 -8.017 -4.502 1.00 0.00 H new ATOM 0 HA LYS A 8 -6.987 -8.677 -4.048 1.00 0.00 H new ATOM 0 HB2 LYS A 8 -4.897 -8.889 -2.602 1.00 0.00 H new ATOM 0 HB3 LYS A 8 -4.898 -7.149 -2.393 1.00 0.00 H new ATOM 0 HG2 LYS A 8 -5.832 -8.074 -0.397 1.00 0.00 H new ATOM 0 HG3 LYS A 8 -7.168 -7.357 -1.275 1.00 0.00 H new ATOM 0 HD2 LYS A 8 -7.700 -9.636 -2.245 1.00 0.00 H new ATOM 0 HD3 LYS A 8 -6.423 -10.322 -1.259 1.00 0.00 H new ATOM 0 HE2 LYS A 8 -8.418 -10.677 0.003 1.00 0.00 H new ATOM 0 HE3 LYS A 8 -7.628 -9.325 0.790 1.00 0.00 H new ATOM 0 HZ1 LYS A 8 -9.938 -8.835 0.546 1.00 0.00 H new ATOM 0 HZ2 LYS A 8 -9.086 -7.820 -0.516 1.00 0.00 H new ATOM 0 HZ3 LYS A 8 -9.909 -9.178 -1.117 1.00 0.00 H new ATOM 117 N VAL A 9 -8.470 -6.755 -3.786 1.00 0.00 N ATOM 118 CA VAL A 9 -9.428 -5.659 -3.542 1.00 0.00 C ATOM 119 C VAL A 9 -9.115 -5.147 -2.126 1.00 0.00 C ATOM 120 O VAL A 9 -9.301 -5.922 -1.179 1.00 0.00 O ATOM 121 CB VAL A 9 -10.889 -6.140 -3.651 1.00 0.00 C ATOM 122 CG1 VAL A 9 -11.870 -4.992 -3.376 1.00 0.00 C ATOM 123 CG2 VAL A 9 -11.194 -6.683 -5.054 1.00 0.00 C ATOM 0 H VAL A 9 -8.917 -7.668 -3.866 1.00 0.00 H new ATOM 0 HA VAL A 9 -9.324 -4.872 -4.289 1.00 0.00 H new ATOM 0 HB VAL A 9 -11.012 -6.929 -2.909 1.00 0.00 H new ATOM 0 HG11 VAL A 9 -12.893 -5.359 -3.460 1.00 0.00 H new ATOM 0 HG12 VAL A 9 -11.705 -4.605 -2.371 1.00 0.00 H new ATOM 0 HG13 VAL A 9 -11.710 -4.195 -4.102 1.00 0.00 H new ATOM 0 HG21 VAL A 9 -12.232 -7.014 -5.098 1.00 0.00 H new ATOM 0 HG22 VAL A 9 -11.032 -5.897 -5.792 1.00 0.00 H new ATOM 0 HG23 VAL A 9 -10.535 -7.524 -5.270 1.00 0.00 H new ATOM 133 N PRO A 10 -8.557 -3.932 -1.946 1.00 0.00 N ATOM 134 CA PRO A 10 -8.027 -3.481 -0.658 1.00 0.00 C ATOM 135 C PRO A 10 -9.005 -3.545 0.530 1.00 0.00 C ATOM 136 O PRO A 10 -9.893 -2.706 0.684 1.00 0.00 O ATOM 137 CB PRO A 10 -7.478 -2.069 -0.901 1.00 0.00 C ATOM 138 CG PRO A 10 -7.153 -2.061 -2.390 1.00 0.00 C ATOM 139 CD PRO A 10 -8.261 -2.934 -2.971 1.00 0.00 C ATOM 0 HA PRO A 10 -7.251 -4.174 -0.334 1.00 0.00 H new ATOM 0 HB2 PRO A 10 -8.212 -1.304 -0.647 1.00 0.00 H new ATOM 0 HB3 PRO A 10 -6.592 -1.874 -0.296 1.00 0.00 H new ATOM 0 HG2 PRO A 10 -7.170 -1.053 -2.804 1.00 0.00 H new ATOM 0 HG3 PRO A 10 -6.164 -2.472 -2.592 1.00 0.00 H new ATOM 0 HD2 PRO A 10 -9.144 -2.340 -3.206 1.00 0.00 H new ATOM 0 HD3 PRO A 10 -7.940 -3.409 -3.898 1.00 0.00 H new ATOM 147 N ARG A 11 -8.802 -4.538 1.409 1.00 0.00 N ATOM 148 CA ARG A 11 -9.454 -4.687 2.727 1.00 0.00 C ATOM 149 C ARG A 11 -9.164 -3.478 3.627 1.00 0.00 C ATOM 150 O ARG A 11 -10.065 -2.979 4.301 1.00 0.00 O ATOM 151 CB ARG A 11 -8.996 -6.028 3.326 1.00 0.00 C ATOM 152 CG ARG A 11 -9.379 -6.270 4.797 1.00 0.00 C ATOM 153 CD ARG A 11 -9.011 -7.689 5.258 1.00 0.00 C ATOM 154 NE ARG A 11 -7.587 -8.011 5.022 1.00 0.00 N ATOM 155 CZ ARG A 11 -6.926 -9.092 5.378 1.00 0.00 C ATOM 156 NH1 ARG A 11 -7.455 -10.040 6.101 1.00 0.00 N ATOM 157 NH2 ARG A 11 -5.698 -9.227 4.980 1.00 0.00 N ATOM 0 H ARG A 11 -8.149 -5.297 1.215 1.00 0.00 H new ATOM 0 HA ARG A 11 -10.539 -4.707 2.629 1.00 0.00 H new ATOM 0 HB2 ARG A 11 -9.414 -6.835 2.724 1.00 0.00 H new ATOM 0 HB3 ARG A 11 -7.912 -6.093 3.237 1.00 0.00 H new ATOM 0 HG2 ARG A 11 -8.873 -5.540 5.429 1.00 0.00 H new ATOM 0 HG3 ARG A 11 -10.450 -6.113 4.924 1.00 0.00 H new ATOM 0 HD2 ARG A 11 -9.232 -7.791 6.321 1.00 0.00 H new ATOM 0 HD3 ARG A 11 -9.635 -8.411 4.732 1.00 0.00 H new ATOM 0 HE ARG A 11 -7.049 -7.305 4.519 1.00 0.00 H new ATOM 0 HH11 ARG A 11 -8.422 -9.962 6.416 1.00 0.00 H new ATOM 0 HH12 ARG A 11 -6.902 -10.859 6.351 1.00 0.00 H new ATOM 0 HH21 ARG A 11 -5.266 -8.504 4.404 1.00 0.00 H new ATOM 0 HH22 ARG A 11 -5.165 -10.056 5.243 1.00 0.00 H new ATOM 171 N ARG A 12 -7.922 -2.985 3.610 1.00 0.00 N ATOM 172 CA ARG A 12 -7.485 -1.715 4.215 1.00 0.00 C ATOM 173 C ARG A 12 -6.632 -0.949 3.190 1.00 0.00 C ATOM 174 O ARG A 12 -5.452 -1.276 3.059 1.00 0.00 O ATOM 175 CB ARG A 12 -6.731 -1.972 5.538 1.00 0.00 C ATOM 176 CG ARG A 12 -7.604 -2.552 6.664 1.00 0.00 C ATOM 177 CD ARG A 12 -8.715 -1.594 7.119 1.00 0.00 C ATOM 178 NE ARG A 12 -9.532 -2.176 8.200 1.00 0.00 N ATOM 179 CZ ARG A 12 -10.641 -2.887 8.088 1.00 0.00 C ATOM 180 NH1 ARG A 12 -11.159 -3.219 6.939 1.00 0.00 N ATOM 181 NH2 ARG A 12 -11.266 -3.290 9.157 1.00 0.00 N ATOM 0 H ARG A 12 -7.156 -3.480 3.154 1.00 0.00 H new ATOM 0 HA ARG A 12 -8.349 -1.101 4.470 1.00 0.00 H new ATOM 0 HB2 ARG A 12 -5.906 -2.658 5.345 1.00 0.00 H new ATOM 0 HB3 ARG A 12 -6.293 -1.035 5.881 1.00 0.00 H new ATOM 0 HG2 ARG A 12 -8.054 -3.485 6.323 1.00 0.00 H new ATOM 0 HG3 ARG A 12 -6.971 -2.796 7.517 1.00 0.00 H new ATOM 0 HD2 ARG A 12 -8.271 -0.659 7.462 1.00 0.00 H new ATOM 0 HD3 ARG A 12 -9.355 -1.351 6.271 1.00 0.00 H new ATOM 0 HE ARG A 12 -9.201 -2.010 9.150 1.00 0.00 H new ATOM 0 HH11 ARG A 12 -10.706 -2.929 6.072 1.00 0.00 H new ATOM 0 HH12 ARG A 12 -12.017 -3.769 6.906 1.00 0.00 H new ATOM 0 HH21 ARG A 12 -10.900 -3.057 10.080 1.00 0.00 H new ATOM 0 HH22 ARG A 12 -12.122 -3.839 9.071 1.00 0.00 H new ATOM 195 N PRO A 13 -7.199 -0.016 2.396 1.00 0.00 N ATOM 196 CA PRO A 13 -6.480 0.697 1.345 1.00 0.00 C ATOM 197 C PRO A 13 -5.302 1.487 1.891 1.00 0.00 C ATOM 198 O PRO A 13 -5.374 2.173 2.910 1.00 0.00 O ATOM 199 CB PRO A 13 -7.497 1.588 0.620 1.00 0.00 C ATOM 200 CG PRO A 13 -8.660 1.672 1.601 1.00 0.00 C ATOM 201 CD PRO A 13 -8.602 0.291 2.242 1.00 0.00 C ATOM 0 HA PRO A 13 -6.040 -0.011 0.643 1.00 0.00 H new ATOM 0 HB2 PRO A 13 -7.084 2.573 0.402 1.00 0.00 H new ATOM 0 HB3 PRO A 13 -7.805 1.154 -0.331 1.00 0.00 H new ATOM 0 HG2 PRO A 13 -8.527 2.471 2.331 1.00 0.00 H new ATOM 0 HG3 PRO A 13 -9.610 1.854 1.099 1.00 0.00 H new ATOM 0 HD2 PRO A 13 -9.111 0.286 3.206 1.00 0.00 H new ATOM 0 HD3 PRO A 13 -9.098 -0.451 1.616 1.00 0.00 H new ATOM 209 N VAL A 14 -4.194 1.366 1.182 1.00 0.00 N ATOM 210 CA VAL A 14 -2.914 1.969 1.564 1.00 0.00 C ATOM 211 C VAL A 14 -2.150 2.432 0.321 1.00 0.00 C ATOM 212 O VAL A 14 -2.240 1.813 -0.740 1.00 0.00 O ATOM 213 CB VAL A 14 -2.146 0.974 2.471 1.00 0.00 C ATOM 214 CG1 VAL A 14 -0.982 0.269 1.781 1.00 0.00 C ATOM 215 CG2 VAL A 14 -1.671 1.656 3.750 1.00 0.00 C ATOM 0 H VAL A 14 -4.150 0.839 0.310 1.00 0.00 H new ATOM 0 HA VAL A 14 -3.060 2.875 2.152 1.00 0.00 H new ATOM 0 HB VAL A 14 -2.866 0.194 2.718 1.00 0.00 H new ATOM 0 HG11 VAL A 14 -0.499 -0.409 2.485 1.00 0.00 H new ATOM 0 HG12 VAL A 14 -1.354 -0.298 0.928 1.00 0.00 H new ATOM 0 HG13 VAL A 14 -0.260 1.010 1.437 1.00 0.00 H new ATOM 0 HG21 VAL A 14 -1.135 0.936 4.369 1.00 0.00 H new ATOM 0 HG22 VAL A 14 -1.007 2.482 3.497 1.00 0.00 H new ATOM 0 HG23 VAL A 14 -2.531 2.038 4.300 1.00 0.00 H new ATOM 225 N LEU A 15 -1.405 3.530 0.441 1.00 0.00 N ATOM 226 CA LEU A 15 -0.742 4.212 -0.677 1.00 0.00 C ATOM 227 C LEU A 15 0.738 4.481 -0.347 1.00 0.00 C ATOM 228 O LEU A 15 1.112 4.668 0.812 1.00 0.00 O ATOM 229 CB LEU A 15 -1.552 5.503 -0.953 1.00 0.00 C ATOM 230 CG LEU A 15 -0.915 6.590 -1.842 1.00 0.00 C ATOM 231 CD1 LEU A 15 -0.731 6.163 -3.297 1.00 0.00 C ATOM 232 CD2 LEU A 15 -1.809 7.831 -1.847 1.00 0.00 C ATOM 0 H LEU A 15 -1.240 3.984 1.339 1.00 0.00 H new ATOM 0 HA LEU A 15 -0.727 3.598 -1.578 1.00 0.00 H new ATOM 0 HB2 LEU A 15 -2.497 5.211 -1.411 1.00 0.00 H new ATOM 0 HB3 LEU A 15 -1.791 5.958 0.008 1.00 0.00 H new ATOM 0 HG LEU A 15 0.069 6.784 -1.416 1.00 0.00 H new ATOM 0 HD11 LEU A 15 -0.278 6.978 -3.861 1.00 0.00 H new ATOM 0 HD12 LEU A 15 -0.083 5.288 -3.340 1.00 0.00 H new ATOM 0 HD13 LEU A 15 -1.701 5.918 -3.730 1.00 0.00 H new ATOM 0 HD21 LEU A 15 -1.360 8.600 -2.475 1.00 0.00 H new ATOM 0 HD22 LEU A 15 -2.792 7.570 -2.240 1.00 0.00 H new ATOM 0 HD23 LEU A 15 -1.913 8.208 -0.830 1.00 0.00 H new ATOM 244 N SER A 16 1.569 4.557 -1.387 1.00 0.00 N ATOM 245 CA SER A 16 2.961 5.006 -1.338 1.00 0.00 C ATOM 246 C SER A 16 3.142 6.226 -2.251 1.00 0.00 C ATOM 247 O SER A 16 2.715 6.169 -3.411 1.00 0.00 O ATOM 248 CB SER A 16 3.871 3.885 -1.835 1.00 0.00 C ATOM 249 OG SER A 16 5.187 4.345 -2.028 1.00 0.00 O ATOM 0 H SER A 16 1.277 4.296 -2.329 1.00 0.00 H new ATOM 0 HA SER A 16 3.216 5.271 -0.312 1.00 0.00 H new ATOM 0 HB2 SER A 16 3.871 3.067 -1.115 1.00 0.00 H new ATOM 0 HB3 SER A 16 3.482 3.485 -2.771 1.00 0.00 H new ATOM 0 HG SER A 16 5.793 3.579 -2.107 1.00 0.00 H new ATOM 255 N PRO A 17 3.809 7.309 -1.800 1.00 0.00 N ATOM 256 CA PRO A 17 4.213 8.426 -2.665 1.00 0.00 C ATOM 257 C PRO A 17 5.072 8.014 -3.878 1.00 0.00 C ATOM 258 O PRO A 17 5.175 8.773 -4.844 1.00 0.00 O ATOM 259 CB PRO A 17 5.009 9.373 -1.757 1.00 0.00 C ATOM 260 CG PRO A 17 4.511 9.049 -0.350 1.00 0.00 C ATOM 261 CD PRO A 17 4.235 7.552 -0.431 1.00 0.00 C ATOM 0 HA PRO A 17 3.324 8.881 -3.102 1.00 0.00 H new ATOM 0 HB2 PRO A 17 6.082 9.204 -1.848 1.00 0.00 H new ATOM 0 HB3 PRO A 17 4.827 10.417 -2.013 1.00 0.00 H new ATOM 0 HG2 PRO A 17 5.258 9.283 0.408 1.00 0.00 H new ATOM 0 HG3 PRO A 17 3.613 9.614 -0.098 1.00 0.00 H new ATOM 0 HD2 PRO A 17 5.127 6.975 -0.189 1.00 0.00 H new ATOM 0 HD3 PRO A 17 3.462 7.256 0.279 1.00 0.00 H new ATOM 269 N LYS A 18 5.695 6.827 -3.827 1.00 0.00 N ATOM 270 CA LYS A 18 6.631 6.299 -4.833 1.00 0.00 C ATOM 271 C LYS A 18 5.924 5.417 -5.864 1.00 0.00 C ATOM 272 O LYS A 18 5.943 5.737 -7.054 1.00 0.00 O ATOM 273 CB LYS A 18 7.773 5.554 -4.123 1.00 0.00 C ATOM 274 CG LYS A 18 8.621 6.445 -3.193 1.00 0.00 C ATOM 275 CD LYS A 18 9.139 5.650 -1.988 1.00 0.00 C ATOM 276 CE LYS A 18 8.041 5.482 -0.936 1.00 0.00 C ATOM 277 NZ LYS A 18 8.364 4.407 0.027 1.00 0.00 N ATOM 0 H LYS A 18 5.555 6.181 -3.051 1.00 0.00 H new ATOM 0 HA LYS A 18 7.053 7.134 -5.393 1.00 0.00 H new ATOM 0 HB2 LYS A 18 7.351 4.735 -3.540 1.00 0.00 H new ATOM 0 HB3 LYS A 18 8.424 5.108 -4.874 1.00 0.00 H new ATOM 0 HG2 LYS A 18 9.463 6.859 -3.749 1.00 0.00 H new ATOM 0 HG3 LYS A 18 8.023 7.288 -2.847 1.00 0.00 H new ATOM 0 HD2 LYS A 18 9.488 4.671 -2.315 1.00 0.00 H new ATOM 0 HD3 LYS A 18 9.995 6.163 -1.549 1.00 0.00 H new ATOM 0 HE2 LYS A 18 7.904 6.421 -0.400 1.00 0.00 H new ATOM 0 HE3 LYS A 18 7.096 5.256 -1.430 1.00 0.00 H new ATOM 0 HZ1 LYS A 18 7.766 4.506 0.872 1.00 0.00 H new ATOM 0 HZ2 LYS A 18 8.189 3.482 -0.414 1.00 0.00 H new ATOM 0 HZ3 LYS A 18 9.365 4.476 0.301 1.00 0.00 H new ATOM 291 N SER A 19 5.268 4.337 -5.431 1.00 0.00 N ATOM 292 CA SER A 19 4.563 3.395 -6.317 1.00 0.00 C ATOM 293 C SER A 19 3.187 3.889 -6.798 1.00 0.00 C ATOM 294 O SER A 19 2.679 3.362 -7.789 1.00 0.00 O ATOM 295 CB SER A 19 4.411 2.042 -5.620 1.00 0.00 C ATOM 296 OG SER A 19 5.686 1.469 -5.400 1.00 0.00 O ATOM 0 H SER A 19 5.208 4.086 -4.444 1.00 0.00 H new ATOM 0 HA SER A 19 5.181 3.304 -7.211 1.00 0.00 H new ATOM 0 HB2 SER A 19 3.890 2.168 -4.671 1.00 0.00 H new ATOM 0 HB3 SER A 19 3.803 1.375 -6.231 1.00 0.00 H new ATOM 0 HG SER A 19 6.159 1.979 -4.710 1.00 0.00 H new ATOM 302 N ARG A 20 2.599 4.911 -6.146 1.00 0.00 N ATOM 303 CA ARG A 20 1.389 5.701 -6.503 1.00 0.00 C ATOM 304 C ARG A 20 0.051 4.958 -6.693 1.00 0.00 C ATOM 305 O ARG A 20 -0.999 5.602 -6.664 1.00 0.00 O ATOM 306 CB ARG A 20 1.716 6.619 -7.697 1.00 0.00 C ATOM 307 CG ARG A 20 2.598 7.810 -7.277 1.00 0.00 C ATOM 308 CD ARG A 20 3.393 8.382 -8.457 1.00 0.00 C ATOM 309 NE ARG A 20 4.532 7.506 -8.780 1.00 0.00 N ATOM 310 CZ ARG A 20 5.163 7.325 -9.921 1.00 0.00 C ATOM 311 NH1 ARG A 20 4.842 7.958 -11.016 1.00 0.00 N ATOM 312 NH2 ARG A 20 6.150 6.478 -9.968 1.00 0.00 N ATOM 0 H ARG A 20 2.994 5.243 -5.266 1.00 0.00 H new ATOM 0 HA ARG A 20 1.173 6.273 -5.600 1.00 0.00 H new ATOM 0 HB2 ARG A 20 2.226 6.043 -8.469 1.00 0.00 H new ATOM 0 HB3 ARG A 20 0.789 6.989 -8.135 1.00 0.00 H new ATOM 0 HG2 ARG A 20 1.971 8.592 -6.850 1.00 0.00 H new ATOM 0 HG3 ARG A 20 3.288 7.492 -6.495 1.00 0.00 H new ATOM 0 HD2 ARG A 20 2.744 8.481 -9.327 1.00 0.00 H new ATOM 0 HD3 ARG A 20 3.752 9.381 -8.212 1.00 0.00 H new ATOM 0 HE ARG A 20 4.887 6.954 -7.999 1.00 0.00 H new ATOM 0 HH11 ARG A 20 4.072 8.627 -11.011 1.00 0.00 H new ATOM 0 HH12 ARG A 20 5.361 7.784 -11.877 1.00 0.00 H new ATOM 0 HH21 ARG A 20 6.424 5.967 -9.129 1.00 0.00 H new ATOM 0 HH22 ARG A 20 6.650 6.325 -10.844 1.00 0.00 H new ATOM 326 N THR A 21 0.053 3.639 -6.859 1.00 0.00 N ATOM 327 CA THR A 21 -1.141 2.774 -6.835 1.00 0.00 C ATOM 328 C THR A 21 -1.658 2.587 -5.391 1.00 0.00 C ATOM 329 O THR A 21 -1.006 3.005 -4.430 1.00 0.00 O ATOM 330 CB THR A 21 -0.833 1.418 -7.501 1.00 0.00 C ATOM 331 OG1 THR A 21 -2.016 0.665 -7.649 1.00 0.00 O ATOM 332 CG2 THR A 21 0.183 0.603 -6.718 1.00 0.00 C ATOM 0 H THR A 21 0.913 3.116 -7.020 1.00 0.00 H new ATOM 0 HA THR A 21 -1.933 3.260 -7.406 1.00 0.00 H new ATOM 0 HB THR A 21 -0.404 1.639 -8.478 1.00 0.00 H new ATOM 0 HG1 THR A 21 -1.807 -0.193 -8.075 1.00 0.00 H new ATOM 0 HG21 THR A 21 0.364 -0.342 -7.230 1.00 0.00 H new ATOM 0 HG22 THR A 21 1.117 1.160 -6.644 1.00 0.00 H new ATOM 0 HG23 THR A 21 -0.202 0.406 -5.718 1.00 0.00 H new ATOM 340 N ILE A 22 -2.814 1.938 -5.219 1.00 0.00 N ATOM 341 CA ILE A 22 -3.404 1.588 -3.922 1.00 0.00 C ATOM 342 C ILE A 22 -3.249 0.082 -3.702 1.00 0.00 C ATOM 343 O ILE A 22 -3.791 -0.715 -4.470 1.00 0.00 O ATOM 344 CB ILE A 22 -4.891 2.003 -3.845 1.00 0.00 C ATOM 345 CG1 ILE A 22 -5.178 3.448 -4.315 1.00 0.00 C ATOM 346 CG2 ILE A 22 -5.442 1.779 -2.423 1.00 0.00 C ATOM 347 CD1 ILE A 22 -4.428 4.543 -3.548 1.00 0.00 C ATOM 0 H ILE A 22 -3.385 1.631 -6.006 1.00 0.00 H new ATOM 0 HA ILE A 22 -2.881 2.132 -3.135 1.00 0.00 H new ATOM 0 HB ILE A 22 -5.411 1.356 -4.552 1.00 0.00 H new ATOM 0 HG12 ILE A 22 -4.923 3.527 -5.372 1.00 0.00 H new ATOM 0 HG13 ILE A 22 -6.248 3.635 -4.230 1.00 0.00 H new ATOM 0 HG21 ILE A 22 -6.490 2.077 -2.388 1.00 0.00 H new ATOM 0 HG22 ILE A 22 -5.355 0.724 -2.161 1.00 0.00 H new ATOM 0 HG23 ILE A 22 -4.871 2.377 -1.713 1.00 0.00 H new ATOM 0 HD11 ILE A 22 -4.696 5.519 -3.952 1.00 0.00 H new ATOM 0 HD12 ILE A 22 -4.700 4.500 -2.493 1.00 0.00 H new ATOM 0 HD13 ILE A 22 -3.354 4.390 -3.653 1.00 0.00 H new ATOM 359 N PHE A 23 -2.537 -0.317 -2.651 1.00 0.00 N ATOM 360 CA PHE A 23 -2.407 -1.711 -2.212 1.00 0.00 C ATOM 361 C PHE A 23 -3.160 -1.956 -0.905 1.00 0.00 C ATOM 362 O PHE A 23 -3.686 -1.034 -0.281 1.00 0.00 O ATOM 363 CB PHE A 23 -0.940 -2.200 -2.194 1.00 0.00 C ATOM 364 CG PHE A 23 0.153 -1.160 -2.304 1.00 0.00 C ATOM 365 CD1 PHE A 23 0.611 -0.484 -1.176 1.00 0.00 C ATOM 366 CD2 PHE A 23 0.760 -0.908 -3.535 1.00 0.00 C ATOM 367 CE1 PHE A 23 1.584 0.530 -1.294 1.00 0.00 C ATOM 368 CE2 PHE A 23 1.767 0.059 -3.667 1.00 0.00 C ATOM 369 CZ PHE A 23 2.175 0.784 -2.541 1.00 0.00 C ATOM 0 H PHE A 23 -2.019 0.336 -2.063 1.00 0.00 H new ATOM 0 HA PHE A 23 -2.892 -2.336 -2.962 1.00 0.00 H new ATOM 0 HB2 PHE A 23 -0.783 -2.754 -1.268 1.00 0.00 H new ATOM 0 HB3 PHE A 23 -0.813 -2.907 -3.014 1.00 0.00 H new ATOM 0 HD1 PHE A 23 0.218 -0.738 -0.203 1.00 0.00 H new ATOM 0 HD2 PHE A 23 0.448 -1.469 -4.404 1.00 0.00 H new ATOM 0 HE1 PHE A 23 1.873 1.108 -0.429 1.00 0.00 H new ATOM 0 HE2 PHE A 23 2.224 0.243 -4.628 1.00 0.00 H new ATOM 0 HZ PHE A 23 2.943 1.538 -2.632 1.00 0.00 H new ATOM 379 N GLU A 24 -3.274 -3.224 -0.513 1.00 0.00 N ATOM 380 CA GLU A 24 -3.777 -3.564 0.817 1.00 0.00 C ATOM 381 C GLU A 24 -2.667 -3.267 1.842 1.00 0.00 C ATOM 382 O GLU A 24 -1.500 -3.582 1.584 1.00 0.00 O ATOM 383 CB GLU A 24 -4.217 -5.038 0.851 1.00 0.00 C ATOM 384 CG GLU A 24 -5.496 -5.287 1.663 1.00 0.00 C ATOM 385 CD GLU A 24 -5.221 -5.795 3.082 1.00 0.00 C ATOM 386 OE1 GLU A 24 -4.813 -4.990 3.945 1.00 0.00 O ATOM 387 OE2 GLU A 24 -5.456 -6.995 3.353 1.00 0.00 O ATOM 0 H GLU A 24 -3.027 -4.027 -1.092 1.00 0.00 H new ATOM 0 HA GLU A 24 -4.653 -2.965 1.067 1.00 0.00 H new ATOM 0 HB2 GLU A 24 -4.374 -5.384 -0.171 1.00 0.00 H new ATOM 0 HB3 GLU A 24 -3.410 -5.638 1.270 1.00 0.00 H new ATOM 0 HG2 GLU A 24 -6.068 -4.361 1.720 1.00 0.00 H new ATOM 0 HG3 GLU A 24 -6.116 -6.013 1.138 1.00 0.00 H new ATOM 394 N LYS A 25 -3.011 -2.713 3.013 1.00 0.00 N ATOM 395 CA LYS A 25 -2.085 -2.467 4.129 1.00 0.00 C ATOM 396 C LYS A 25 -1.324 -3.747 4.446 1.00 0.00 C ATOM 397 O LYS A 25 -0.101 -3.733 4.570 1.00 0.00 O ATOM 398 CB LYS A 25 -2.865 -1.939 5.342 1.00 0.00 C ATOM 399 CG LYS A 25 -1.934 -1.665 6.533 1.00 0.00 C ATOM 400 CD LYS A 25 -2.684 -0.988 7.685 1.00 0.00 C ATOM 401 CE LYS A 25 -1.756 -0.870 8.901 1.00 0.00 C ATOM 402 NZ LYS A 25 -2.384 -0.069 9.981 1.00 0.00 N ATOM 0 H LYS A 25 -3.965 -2.416 3.216 1.00 0.00 H new ATOM 0 HA LYS A 25 -1.354 -1.706 3.855 1.00 0.00 H new ATOM 0 HB2 LYS A 25 -3.388 -1.022 5.069 1.00 0.00 H new ATOM 0 HB3 LYS A 25 -3.625 -2.665 5.632 1.00 0.00 H new ATOM 0 HG2 LYS A 25 -1.500 -2.602 6.881 1.00 0.00 H new ATOM 0 HG3 LYS A 25 -1.108 -1.031 6.212 1.00 0.00 H new ATOM 0 HD2 LYS A 25 -3.027 0.000 7.379 1.00 0.00 H new ATOM 0 HD3 LYS A 25 -3.570 -1.566 7.945 1.00 0.00 H new ATOM 0 HE2 LYS A 25 -1.515 -1.865 9.276 1.00 0.00 H new ATOM 0 HE3 LYS A 25 -0.816 -0.407 8.601 1.00 0.00 H new ATOM 0 HZ1 LYS A 25 -1.763 -0.063 10.815 1.00 0.00 H new ATOM 0 HZ2 LYS A 25 -2.529 0.906 9.650 1.00 0.00 H new ATOM 0 HZ3 LYS A 25 -3.301 -0.488 10.236 1.00 0.00 H new ATOM 416 N SER A 26 -2.053 -4.860 4.513 1.00 0.00 N ATOM 417 CA SER A 26 -1.515 -6.165 4.888 1.00 0.00 C ATOM 418 C SER A 26 -0.522 -6.727 3.862 1.00 0.00 C ATOM 419 O SER A 26 0.518 -7.266 4.244 1.00 0.00 O ATOM 420 CB SER A 26 -2.634 -7.185 5.126 1.00 0.00 C ATOM 421 OG SER A 26 -3.672 -6.645 5.930 1.00 0.00 O ATOM 0 H SER A 26 -3.051 -4.880 4.304 1.00 0.00 H new ATOM 0 HA SER A 26 -0.970 -5.998 5.817 1.00 0.00 H new ATOM 0 HB2 SER A 26 -3.044 -7.506 4.168 1.00 0.00 H new ATOM 0 HB3 SER A 26 -2.222 -8.071 5.609 1.00 0.00 H new ATOM 0 HG SER A 26 -4.214 -6.029 5.394 1.00 0.00 H new ATOM 427 N LEU A 27 -0.815 -6.599 2.560 1.00 0.00 N ATOM 428 CA LEU A 27 0.019 -7.138 1.487 1.00 0.00 C ATOM 429 C LEU A 27 1.305 -6.321 1.309 1.00 0.00 C ATOM 430 O LEU A 27 2.380 -6.897 1.132 1.00 0.00 O ATOM 431 CB LEU A 27 -0.758 -7.173 0.159 1.00 0.00 C ATOM 432 CG LEU A 27 -2.039 -8.035 0.060 1.00 0.00 C ATOM 433 CD1 LEU A 27 -2.066 -8.738 -1.278 1.00 0.00 C ATOM 434 CD2 LEU A 27 -2.201 -9.129 1.121 1.00 0.00 C ATOM 0 H LEU A 27 -1.646 -6.113 2.224 1.00 0.00 H new ATOM 0 HA LEU A 27 0.293 -8.154 1.770 1.00 0.00 H new ATOM 0 HB2 LEU A 27 -1.032 -6.147 -0.089 1.00 0.00 H new ATOM 0 HB3 LEU A 27 -0.071 -7.515 -0.615 1.00 0.00 H new ATOM 0 HG LEU A 27 -2.849 -7.320 0.208 1.00 0.00 H new ATOM 0 HD11 LEU A 27 -2.967 -9.346 -1.351 1.00 0.00 H new ATOM 0 HD12 LEU A 27 -2.062 -7.998 -2.078 1.00 0.00 H new ATOM 0 HD13 LEU A 27 -1.188 -9.377 -1.371 1.00 0.00 H new ATOM 0 HD21 LEU A 27 -3.134 -9.666 0.950 1.00 0.00 H new ATOM 0 HD22 LEU A 27 -1.365 -9.825 1.057 1.00 0.00 H new ATOM 0 HD23 LEU A 27 -2.220 -8.675 2.112 1.00 0.00 H new ATOM 446 N LEU A 28 1.215 -4.988 1.402 1.00 0.00 N ATOM 447 CA LEU A 28 2.395 -4.126 1.397 1.00 0.00 C ATOM 448 C LEU A 28 3.276 -4.470 2.601 1.00 0.00 C ATOM 449 O LEU A 28 4.480 -4.664 2.448 1.00 0.00 O ATOM 450 CB LEU A 28 2.014 -2.647 1.468 1.00 0.00 C ATOM 451 CG LEU A 28 3.273 -1.742 1.431 1.00 0.00 C ATOM 452 CD1 LEU A 28 3.921 -1.705 0.048 1.00 0.00 C ATOM 453 CD2 LEU A 28 2.886 -0.352 1.907 1.00 0.00 C ATOM 0 H LEU A 28 0.331 -4.485 1.482 1.00 0.00 H new ATOM 0 HA LEU A 28 2.932 -4.296 0.464 1.00 0.00 H new ATOM 0 HB2 LEU A 28 1.358 -2.397 0.634 1.00 0.00 H new ATOM 0 HB3 LEU A 28 1.453 -2.457 2.383 1.00 0.00 H new ATOM 0 HG LEU A 28 4.027 -2.160 2.098 1.00 0.00 H new ATOM 0 HD11 LEU A 28 4.798 -1.058 0.074 1.00 0.00 H new ATOM 0 HD12 LEU A 28 4.222 -2.712 -0.240 1.00 0.00 H new ATOM 0 HD13 LEU A 28 3.206 -1.318 -0.678 1.00 0.00 H new ATOM 0 HD21 LEU A 28 3.762 0.297 1.887 1.00 0.00 H new ATOM 0 HD22 LEU A 28 2.117 0.056 1.251 1.00 0.00 H new ATOM 0 HD23 LEU A 28 2.501 -0.410 2.925 1.00 0.00 H new ATOM 465 N GLU A 29 2.671 -4.545 3.797 1.00 0.00 N ATOM 466 CA GLU A 29 3.395 -4.833 5.045 1.00 0.00 C ATOM 467 C GLU A 29 4.175 -6.144 4.927 1.00 0.00 C ATOM 468 O GLU A 29 5.341 -6.191 5.310 1.00 0.00 O ATOM 469 CB GLU A 29 2.435 -4.879 6.247 1.00 0.00 C ATOM 470 CG GLU A 29 3.165 -4.938 7.595 1.00 0.00 C ATOM 471 CD GLU A 29 2.299 -5.608 8.674 1.00 0.00 C ATOM 472 OE1 GLU A 29 1.472 -4.919 9.318 1.00 0.00 O ATOM 473 OE2 GLU A 29 2.455 -6.836 8.889 1.00 0.00 O ATOM 0 H GLU A 29 1.668 -4.408 3.926 1.00 0.00 H new ATOM 0 HA GLU A 29 4.105 -4.023 5.214 1.00 0.00 H new ATOM 0 HB2 GLU A 29 1.793 -3.998 6.226 1.00 0.00 H new ATOM 0 HB3 GLU A 29 1.786 -5.749 6.153 1.00 0.00 H new ATOM 0 HG2 GLU A 29 4.098 -5.490 7.481 1.00 0.00 H new ATOM 0 HG3 GLU A 29 3.428 -3.929 7.912 1.00 0.00 H new ATOM 480 N GLN A 30 3.575 -7.179 4.324 1.00 0.00 N ATOM 481 CA GLN A 30 4.257 -8.445 4.044 1.00 0.00 C ATOM 482 C GLN A 30 5.495 -8.239 3.170 1.00 0.00 C ATOM 483 O GLN A 30 6.593 -8.647 3.540 1.00 0.00 O ATOM 484 CB GLN A 30 3.291 -9.434 3.378 1.00 0.00 C ATOM 485 CG GLN A 30 3.895 -10.840 3.189 1.00 0.00 C ATOM 486 CD GLN A 30 4.447 -11.444 4.482 1.00 0.00 C ATOM 487 OE1 GLN A 30 3.743 -11.620 5.470 1.00 0.00 O ATOM 488 NE2 GLN A 30 5.717 -11.774 4.546 1.00 0.00 N ATOM 0 H GLN A 30 2.602 -7.160 4.017 1.00 0.00 H new ATOM 0 HA GLN A 30 4.591 -8.859 4.996 1.00 0.00 H new ATOM 0 HB2 GLN A 30 2.387 -9.512 3.983 1.00 0.00 H new ATOM 0 HB3 GLN A 30 2.991 -9.041 2.407 1.00 0.00 H new ATOM 0 HG2 GLN A 30 3.131 -11.504 2.784 1.00 0.00 H new ATOM 0 HG3 GLN A 30 4.695 -10.787 2.451 1.00 0.00 H new ATOM 0 HE21 GLN A 30 6.321 -11.636 3.736 1.00 0.00 H new ATOM 0 HE22 GLN A 30 6.099 -12.168 5.406 1.00 0.00 H new ATOM 497 N TYR A 31 5.321 -7.580 2.026 1.00 0.00 N ATOM 498 CA TYR A 31 6.380 -7.365 1.037 1.00 0.00 C ATOM 499 C TYR A 31 7.543 -6.543 1.614 1.00 0.00 C ATOM 500 O TYR A 31 8.722 -6.785 1.341 1.00 0.00 O ATOM 501 CB TYR A 31 5.766 -6.675 -0.189 1.00 0.00 C ATOM 502 CG TYR A 31 6.706 -6.553 -1.372 1.00 0.00 C ATOM 503 CD1 TYR A 31 7.125 -7.715 -2.042 1.00 0.00 C ATOM 504 CD2 TYR A 31 7.163 -5.298 -1.808 1.00 0.00 C ATOM 505 CE1 TYR A 31 7.950 -7.622 -3.180 1.00 0.00 C ATOM 506 CE2 TYR A 31 8.041 -5.214 -2.907 1.00 0.00 C ATOM 507 CZ TYR A 31 8.424 -6.371 -3.608 1.00 0.00 C ATOM 508 OH TYR A 31 9.241 -6.289 -4.695 1.00 0.00 O ATOM 0 H TYR A 31 4.426 -7.173 1.754 1.00 0.00 H new ATOM 0 HA TYR A 31 6.801 -8.328 0.747 1.00 0.00 H new ATOM 0 HB2 TYR A 31 4.881 -7.231 -0.499 1.00 0.00 H new ATOM 0 HB3 TYR A 31 5.432 -5.678 0.099 1.00 0.00 H new ATOM 0 HD1 TYR A 31 6.813 -8.684 -1.683 1.00 0.00 H new ATOM 0 HD2 TYR A 31 6.842 -4.400 -1.302 1.00 0.00 H new ATOM 0 HE1 TYR A 31 8.219 -8.515 -3.725 1.00 0.00 H new ATOM 0 HE2 TYR A 31 8.423 -4.252 -3.214 1.00 0.00 H new ATOM 0 HH TYR A 31 9.477 -5.352 -4.857 1.00 0.00 H new ATOM 518 N VAL A 32 7.209 -5.596 2.486 1.00 0.00 N ATOM 519 CA VAL A 32 8.142 -4.614 3.039 1.00 0.00 C ATOM 520 C VAL A 32 8.744 -5.073 4.393 1.00 0.00 C ATOM 521 O VAL A 32 9.681 -4.471 4.913 1.00 0.00 O ATOM 522 CB VAL A 32 7.443 -3.240 3.025 1.00 0.00 C ATOM 523 CG1 VAL A 32 8.085 -2.108 3.824 1.00 0.00 C ATOM 524 CG2 VAL A 32 7.216 -2.781 1.579 1.00 0.00 C ATOM 0 H VAL A 32 6.258 -5.486 2.838 1.00 0.00 H new ATOM 0 HA VAL A 32 9.035 -4.518 2.422 1.00 0.00 H new ATOM 0 HB VAL A 32 6.509 -3.432 3.553 1.00 0.00 H new ATOM 0 HG11 VAL A 32 7.485 -1.204 3.721 1.00 0.00 H new ATOM 0 HG12 VAL A 32 8.139 -2.390 4.875 1.00 0.00 H new ATOM 0 HG13 VAL A 32 9.090 -1.921 3.446 1.00 0.00 H new ATOM 0 HG21 VAL A 32 6.722 -1.810 1.579 1.00 0.00 H new ATOM 0 HG22 VAL A 32 8.175 -2.700 1.068 1.00 0.00 H new ATOM 0 HG23 VAL A 32 6.589 -3.507 1.061 1.00 0.00 H new ATOM 534 N LYS A 33 8.270 -6.188 4.960 1.00 0.00 N ATOM 535 CA LYS A 33 8.911 -6.890 6.096 1.00 0.00 C ATOM 536 C LYS A 33 9.710 -8.111 5.604 1.00 0.00 C ATOM 537 O LYS A 33 10.518 -8.677 6.340 1.00 0.00 O ATOM 538 CB LYS A 33 7.924 -7.168 7.247 1.00 0.00 C ATOM 539 CG LYS A 33 6.981 -8.369 7.065 1.00 0.00 C ATOM 540 CD LYS A 33 5.890 -8.341 8.145 1.00 0.00 C ATOM 541 CE LYS A 33 4.850 -9.447 7.937 1.00 0.00 C ATOM 542 NZ LYS A 33 3.746 -9.338 8.923 1.00 0.00 N ATOM 0 H LYS A 33 7.414 -6.643 4.642 1.00 0.00 H new ATOM 0 HA LYS A 33 9.648 -6.226 6.548 1.00 0.00 H new ATOM 0 HB2 LYS A 33 8.499 -7.321 8.160 1.00 0.00 H new ATOM 0 HB3 LYS A 33 7.316 -6.276 7.398 1.00 0.00 H new ATOM 0 HG2 LYS A 33 6.526 -8.339 6.075 1.00 0.00 H new ATOM 0 HG3 LYS A 33 7.545 -9.299 7.129 1.00 0.00 H new ATOM 0 HD2 LYS A 33 6.349 -8.454 9.127 1.00 0.00 H new ATOM 0 HD3 LYS A 33 5.394 -7.370 8.135 1.00 0.00 H new ATOM 0 HE2 LYS A 33 4.446 -9.385 6.927 1.00 0.00 H new ATOM 0 HE3 LYS A 33 5.329 -10.422 8.029 1.00 0.00 H new ATOM 0 HZ1 LYS A 33 2.978 -9.987 8.657 1.00 0.00 H new ATOM 0 HZ2 LYS A 33 4.099 -9.589 9.869 1.00 0.00 H new ATOM 0 HZ3 LYS A 33 3.386 -8.362 8.935 1.00 0.00 H new ATOM 556 N ASP A 34 9.524 -8.463 4.328 1.00 0.00 N ATOM 557 CA ASP A 34 10.292 -9.428 3.534 1.00 0.00 C ATOM 558 C ASP A 34 11.627 -8.801 3.089 1.00 0.00 C ATOM 559 O ASP A 34 12.700 -9.278 3.467 1.00 0.00 O ATOM 560 CB ASP A 34 9.471 -9.837 2.294 1.00 0.00 C ATOM 561 CG ASP A 34 9.015 -11.303 2.356 1.00 0.00 C ATOM 562 OD1 ASP A 34 9.871 -12.202 2.169 1.00 0.00 O ATOM 563 OD2 ASP A 34 7.809 -11.569 2.584 1.00 0.00 O ATOM 0 H ASP A 34 8.772 -8.047 3.779 1.00 0.00 H new ATOM 0 HA ASP A 34 10.501 -10.309 4.141 1.00 0.00 H new ATOM 0 HB2 ASP A 34 8.598 -9.190 2.209 1.00 0.00 H new ATOM 0 HB3 ASP A 34 10.070 -9.683 1.397 1.00 0.00 H new ATOM 568 N THR A 35 11.553 -7.726 2.294 1.00 0.00 N ATOM 569 CA THR A 35 12.707 -7.019 1.702 1.00 0.00 C ATOM 570 C THR A 35 12.686 -5.515 1.956 1.00 0.00 C ATOM 571 O THR A 35 13.739 -4.875 1.922 1.00 0.00 O ATOM 572 CB THR A 35 12.807 -7.263 0.186 1.00 0.00 C ATOM 573 OG1 THR A 35 11.652 -6.768 -0.461 1.00 0.00 O ATOM 574 CG2 THR A 35 12.964 -8.740 -0.179 1.00 0.00 C ATOM 0 H THR A 35 10.660 -7.307 2.034 1.00 0.00 H new ATOM 0 HA THR A 35 13.581 -7.436 2.202 1.00 0.00 H new ATOM 0 HB THR A 35 13.703 -6.738 -0.146 1.00 0.00 H new ATOM 0 HG1 THR A 35 11.724 -6.926 -1.426 1.00 0.00 H new ATOM 0 HG21 THR A 35 13.029 -8.842 -1.262 1.00 0.00 H new ATOM 0 HG22 THR A 35 13.872 -9.133 0.277 1.00 0.00 H new ATOM 0 HG23 THR A 35 12.103 -9.299 0.187 1.00 0.00 H new ATOM 582 N GLY A 36 11.517 -4.933 2.248 1.00 0.00 N ATOM 583 CA GLY A 36 11.365 -3.503 2.507 1.00 0.00 C ATOM 584 C GLY A 36 11.096 -2.679 1.257 1.00 0.00 C ATOM 585 O GLY A 36 10.529 -1.601 1.353 1.00 0.00 O ATOM 0 H GLY A 36 10.641 -5.452 2.311 1.00 0.00 H new ATOM 0 HA2 GLY A 36 10.546 -3.356 3.211 1.00 0.00 H new ATOM 0 HA3 GLY A 36 12.270 -3.132 2.988 1.00 0.00 H new ATOM 589 N ASN A 37 11.453 -3.175 0.082 1.00 0.00 N ATOM 590 CA ASN A 37 11.359 -2.407 -1.158 1.00 0.00 C ATOM 591 C ASN A 37 9.892 -2.093 -1.520 1.00 0.00 C ATOM 592 O ASN A 37 8.998 -2.891 -1.250 1.00 0.00 O ATOM 593 CB ASN A 37 12.074 -3.213 -2.255 1.00 0.00 C ATOM 594 CG ASN A 37 13.545 -3.459 -1.952 1.00 0.00 C ATOM 595 OD1 ASN A 37 13.936 -4.498 -1.447 1.00 0.00 O ATOM 596 ND2 ASN A 37 14.415 -2.521 -2.245 1.00 0.00 N ATOM 0 H ASN A 37 11.816 -4.120 -0.043 1.00 0.00 H new ATOM 0 HA ASN A 37 11.842 -1.437 -1.044 1.00 0.00 H new ATOM 0 HB2 ASN A 37 11.570 -4.171 -2.381 1.00 0.00 H new ATOM 0 HB3 ASN A 37 11.988 -2.681 -3.203 1.00 0.00 H new ATOM 0 HD21 ASN A 37 15.406 -2.665 -2.050 1.00 0.00 H new ATOM 0 HD22 ASN A 37 14.100 -1.648 -2.668 1.00 0.00 H new ATOM 603 N ASP A 38 9.623 -0.949 -2.155 1.00 0.00 N ATOM 604 CA ASP A 38 8.314 -0.645 -2.742 1.00 0.00 C ATOM 605 C ASP A 38 7.970 -1.668 -3.850 1.00 0.00 C ATOM 606 O ASP A 38 8.864 -2.127 -4.568 1.00 0.00 O ATOM 607 CB ASP A 38 8.315 0.775 -3.328 1.00 0.00 C ATOM 608 CG ASP A 38 7.496 1.772 -2.499 1.00 0.00 C ATOM 609 OD1 ASP A 38 7.842 2.033 -1.323 1.00 0.00 O ATOM 610 OD2 ASP A 38 6.490 2.296 -3.033 1.00 0.00 O ATOM 0 H ASP A 38 10.309 -0.204 -2.277 1.00 0.00 H new ATOM 0 HA ASP A 38 7.560 -0.708 -1.958 1.00 0.00 H new ATOM 0 HB2 ASP A 38 9.343 1.130 -3.400 1.00 0.00 H new ATOM 0 HB3 ASP A 38 7.917 0.743 -4.342 1.00 0.00 H new ATOM 615 N PRO A 39 6.691 -2.020 -4.056 1.00 0.00 N ATOM 616 CA PRO A 39 6.297 -3.087 -4.984 1.00 0.00 C ATOM 617 C PRO A 39 6.467 -2.732 -6.473 1.00 0.00 C ATOM 618 O PRO A 39 6.370 -3.630 -7.312 1.00 0.00 O ATOM 619 CB PRO A 39 4.838 -3.372 -4.628 1.00 0.00 C ATOM 620 CG PRO A 39 4.332 -2.018 -4.139 1.00 0.00 C ATOM 621 CD PRO A 39 5.530 -1.475 -3.372 1.00 0.00 C ATOM 0 HA PRO A 39 6.946 -3.956 -4.869 1.00 0.00 H new ATOM 0 HB2 PRO A 39 4.274 -3.726 -5.491 1.00 0.00 H new ATOM 0 HB3 PRO A 39 4.753 -4.137 -3.856 1.00 0.00 H new ATOM 0 HG2 PRO A 39 4.051 -1.367 -4.967 1.00 0.00 H new ATOM 0 HG3 PRO A 39 3.454 -2.119 -3.501 1.00 0.00 H new ATOM 0 HD2 PRO A 39 5.543 -0.385 -3.379 1.00 0.00 H new ATOM 0 HD3 PRO A 39 5.505 -1.786 -2.328 1.00 0.00 H new ATOM 629 N ILE A 40 6.733 -1.462 -6.820 1.00 0.00 N ATOM 630 CA ILE A 40 6.865 -0.995 -8.217 1.00 0.00 C ATOM 631 C ILE A 40 8.165 -0.213 -8.430 1.00 0.00 C ATOM 632 O ILE A 40 8.883 -0.466 -9.399 1.00 0.00 O ATOM 633 CB ILE A 40 5.611 -0.189 -8.633 1.00 0.00 C ATOM 634 CG1 ILE A 40 4.402 -1.136 -8.821 1.00 0.00 C ATOM 635 CG2 ILE A 40 5.819 0.626 -9.924 1.00 0.00 C ATOM 636 CD1 ILE A 40 3.062 -0.443 -8.584 1.00 0.00 C ATOM 0 H ILE A 40 6.865 -0.719 -6.133 1.00 0.00 H new ATOM 0 HA ILE A 40 6.927 -1.865 -8.870 1.00 0.00 H new ATOM 0 HB ILE A 40 5.419 0.517 -7.825 1.00 0.00 H new ATOM 0 HG12 ILE A 40 4.420 -1.544 -9.831 1.00 0.00 H new ATOM 0 HG13 ILE A 40 4.496 -1.978 -8.135 1.00 0.00 H new ATOM 0 HG21 ILE A 40 4.904 1.169 -10.163 1.00 0.00 H new ATOM 0 HG22 ILE A 40 6.634 1.335 -9.779 1.00 0.00 H new ATOM 0 HG23 ILE A 40 6.065 -0.048 -10.744 1.00 0.00 H new ATOM 0 HD11 ILE A 40 2.252 -1.157 -8.730 1.00 0.00 H new ATOM 0 HD12 ILE A 40 3.027 -0.058 -7.565 1.00 0.00 H new ATOM 0 HD13 ILE A 40 2.950 0.382 -9.287 1.00 0.00 H new ATOM 648 N THR A 41 8.498 0.719 -7.531 1.00 0.00 N ATOM 649 CA THR A 41 9.733 1.527 -7.622 1.00 0.00 C ATOM 650 C THR A 41 10.956 0.843 -6.997 1.00 0.00 C ATOM 651 O THR A 41 12.078 1.317 -7.174 1.00 0.00 O ATOM 652 CB THR A 41 9.568 2.918 -7.010 1.00 0.00 C ATOM 653 OG1 THR A 41 9.018 2.776 -5.735 1.00 0.00 O ATOM 654 CG2 THR A 41 8.626 3.800 -7.829 1.00 0.00 C ATOM 0 H THR A 41 7.924 0.939 -6.717 1.00 0.00 H new ATOM 0 HA THR A 41 9.913 1.628 -8.692 1.00 0.00 H new ATOM 0 HB THR A 41 10.550 3.391 -6.985 1.00 0.00 H new ATOM 0 HG1 THR A 41 8.097 3.112 -5.737 1.00 0.00 H new ATOM 0 HG21 THR A 41 8.540 4.778 -7.356 1.00 0.00 H new ATOM 0 HG22 THR A 41 9.023 3.919 -8.837 1.00 0.00 H new ATOM 0 HG23 THR A 41 7.642 3.333 -7.879 1.00 0.00 H new ATOM 662 N ASN A 42 10.755 -0.265 -6.269 1.00 0.00 N ATOM 663 CA ASN A 42 11.716 -0.967 -5.428 1.00 0.00 C ATOM 664 C ASN A 42 12.525 -0.084 -4.459 1.00 0.00 C ATOM 665 O ASN A 42 13.604 -0.472 -4.009 1.00 0.00 O ATOM 666 CB ASN A 42 12.492 -2.002 -6.254 1.00 0.00 C ATOM 667 CG ASN A 42 13.571 -1.443 -7.173 1.00 0.00 C ATOM 668 OD1 ASN A 42 13.473 -1.501 -8.393 1.00 0.00 O ATOM 669 ND2 ASN A 42 14.655 -0.933 -6.634 1.00 0.00 N ATOM 0 H ASN A 42 9.844 -0.723 -6.257 1.00 0.00 H new ATOM 0 HA ASN A 42 11.154 -1.543 -4.692 1.00 0.00 H new ATOM 0 HB2 ASN A 42 12.956 -2.711 -5.569 1.00 0.00 H new ATOM 0 HB3 ASN A 42 11.780 -2.563 -6.860 1.00 0.00 H new ATOM 0 HD21 ASN A 42 15.408 -0.589 -7.230 1.00 0.00 H new ATOM 0 HD22 ASN A 42 14.744 -0.881 -5.619 1.00 0.00 H new ATOM 676 N GLU A 43 11.989 1.075 -4.082 1.00 0.00 N ATOM 677 CA GLU A 43 12.606 1.977 -3.101 1.00 0.00 C ATOM 678 C GLU A 43 12.655 1.327 -1.700 1.00 0.00 C ATOM 679 O GLU A 43 11.593 0.966 -1.190 1.00 0.00 O ATOM 680 CB GLU A 43 11.788 3.266 -3.062 1.00 0.00 C ATOM 681 CG GLU A 43 11.894 4.055 -4.376 1.00 0.00 C ATOM 682 CD GLU A 43 12.942 5.180 -4.290 1.00 0.00 C ATOM 683 OE1 GLU A 43 14.150 4.877 -4.135 1.00 0.00 O ATOM 684 OE2 GLU A 43 12.572 6.376 -4.381 1.00 0.00 O ATOM 0 H GLU A 43 11.104 1.422 -4.451 1.00 0.00 H new ATOM 0 HA GLU A 43 13.634 2.189 -3.395 1.00 0.00 H new ATOM 0 HB2 GLU A 43 10.743 3.026 -2.866 1.00 0.00 H new ATOM 0 HB3 GLU A 43 12.132 3.889 -2.236 1.00 0.00 H new ATOM 0 HG2 GLU A 43 12.157 3.376 -5.187 1.00 0.00 H new ATOM 0 HG3 GLU A 43 10.922 4.483 -4.621 1.00 0.00 H new ATOM 691 N PRO A 44 13.836 1.114 -1.080 1.00 0.00 N ATOM 692 CA PRO A 44 13.961 0.500 0.249 1.00 0.00 C ATOM 693 C PRO A 44 13.103 1.170 1.342 1.00 0.00 C ATOM 694 O PRO A 44 13.202 2.382 1.557 1.00 0.00 O ATOM 695 CB PRO A 44 15.452 0.566 0.597 1.00 0.00 C ATOM 696 CG PRO A 44 16.136 0.585 -0.766 1.00 0.00 C ATOM 697 CD PRO A 44 15.160 1.383 -1.627 1.00 0.00 C ATOM 0 HA PRO A 44 13.583 -0.522 0.214 1.00 0.00 H new ATOM 0 HB2 PRO A 44 15.689 1.457 1.178 1.00 0.00 H new ATOM 0 HB3 PRO A 44 15.764 -0.293 1.191 1.00 0.00 H new ATOM 0 HG2 PRO A 44 17.116 1.061 -0.720 1.00 0.00 H new ATOM 0 HG3 PRO A 44 16.288 -0.422 -1.155 1.00 0.00 H new ATOM 0 HD2 PRO A 44 15.388 2.448 -1.592 1.00 0.00 H new ATOM 0 HD3 PRO A 44 15.221 1.078 -2.672 1.00 0.00 H new ATOM 705 N LEU A 45 12.313 0.355 2.056 1.00 0.00 N ATOM 706 CA LEU A 45 11.276 0.704 3.049 1.00 0.00 C ATOM 707 C LEU A 45 10.058 1.462 2.471 1.00 0.00 C ATOM 708 O LEU A 45 10.166 2.340 1.609 1.00 0.00 O ATOM 709 CB LEU A 45 11.875 1.358 4.309 1.00 0.00 C ATOM 710 CG LEU A 45 12.715 0.378 5.150 1.00 0.00 C ATOM 711 CD1 LEU A 45 13.572 1.154 6.150 1.00 0.00 C ATOM 712 CD2 LEU A 45 11.839 -0.601 5.941 1.00 0.00 C ATOM 0 H LEU A 45 12.387 -0.656 1.946 1.00 0.00 H new ATOM 0 HA LEU A 45 10.851 -0.247 3.369 1.00 0.00 H new ATOM 0 HB2 LEU A 45 12.498 2.202 4.013 1.00 0.00 H new ATOM 0 HB3 LEU A 45 11.068 1.758 4.924 1.00 0.00 H new ATOM 0 HG LEU A 45 13.335 -0.186 4.453 1.00 0.00 H new ATOM 0 HD11 LEU A 45 14.163 0.455 6.742 1.00 0.00 H new ATOM 0 HD12 LEU A 45 14.238 1.828 5.612 1.00 0.00 H new ATOM 0 HD13 LEU A 45 12.926 1.733 6.811 1.00 0.00 H new ATOM 0 HD21 LEU A 45 12.474 -1.272 6.519 1.00 0.00 H new ATOM 0 HD22 LEU A 45 11.190 -0.044 6.617 1.00 0.00 H new ATOM 0 HD23 LEU A 45 11.229 -1.183 5.250 1.00 0.00 H new ATOM 724 N SER A 46 8.871 1.116 2.989 1.00 0.00 N ATOM 725 CA SER A 46 7.558 1.587 2.519 1.00 0.00 C ATOM 726 C SER A 46 6.629 1.968 3.663 1.00 0.00 C ATOM 727 O SER A 46 6.144 3.090 3.731 1.00 0.00 O ATOM 728 CB SER A 46 6.886 0.588 1.583 1.00 0.00 C ATOM 729 OG SER A 46 6.149 1.272 0.590 1.00 0.00 O ATOM 0 H SER A 46 8.795 0.475 3.779 1.00 0.00 H new ATOM 0 HA SER A 46 7.757 2.493 1.947 1.00 0.00 H new ATOM 0 HB2 SER A 46 7.639 -0.047 1.115 1.00 0.00 H new ATOM 0 HB3 SER A 46 6.225 -0.067 2.151 1.00 0.00 H new ATOM 0 HG SER A 46 6.750 1.852 0.078 1.00 0.00 H new ATOM 735 N ILE A 47 6.414 1.044 4.603 1.00 0.00 N ATOM 736 CA ILE A 47 5.574 1.210 5.792 1.00 0.00 C ATOM 737 C ILE A 47 6.047 2.319 6.743 1.00 0.00 C ATOM 738 O ILE A 47 5.242 3.053 7.310 1.00 0.00 O ATOM 739 CB ILE A 47 5.382 -0.166 6.482 1.00 0.00 C ATOM 740 CG1 ILE A 47 4.165 -0.213 7.426 1.00 0.00 C ATOM 741 CG2 ILE A 47 6.643 -0.615 7.240 1.00 0.00 C ATOM 742 CD1 ILE A 47 2.836 -0.231 6.662 1.00 0.00 C ATOM 0 H ILE A 47 6.840 0.118 4.554 1.00 0.00 H new ATOM 0 HA ILE A 47 4.598 1.569 5.466 1.00 0.00 H new ATOM 0 HB ILE A 47 5.192 -0.863 5.666 1.00 0.00 H new ATOM 0 HG12 ILE A 47 4.231 -1.100 8.056 1.00 0.00 H new ATOM 0 HG13 ILE A 47 4.189 0.652 8.089 1.00 0.00 H new ATOM 0 HG21 ILE A 47 6.462 -1.583 7.707 1.00 0.00 H new ATOM 0 HG22 ILE A 47 7.476 -0.699 6.542 1.00 0.00 H new ATOM 0 HG23 ILE A 47 6.886 0.119 8.009 1.00 0.00 H new ATOM 0 HD11 ILE A 47 2.009 -0.264 7.371 1.00 0.00 H new ATOM 0 HD12 ILE A 47 2.755 0.669 6.052 1.00 0.00 H new ATOM 0 HD13 ILE A 47 2.798 -1.110 6.019 1.00 0.00 H new ATOM 754 N GLU A 48 7.359 2.538 6.811 1.00 0.00 N ATOM 755 CA GLU A 48 8.007 3.654 7.512 1.00 0.00 C ATOM 756 C GLU A 48 7.736 5.007 6.823 1.00 0.00 C ATOM 757 O GLU A 48 8.083 6.063 7.355 1.00 0.00 O ATOM 758 CB GLU A 48 9.524 3.394 7.597 1.00 0.00 C ATOM 759 CG GLU A 48 9.902 2.175 8.454 1.00 0.00 C ATOM 760 CD GLU A 48 9.569 2.393 9.945 1.00 0.00 C ATOM 761 OE1 GLU A 48 10.356 3.070 10.651 1.00 0.00 O ATOM 762 OE2 GLU A 48 8.524 1.889 10.424 1.00 0.00 O ATOM 0 H GLU A 48 8.032 1.918 6.361 1.00 0.00 H new ATOM 0 HA GLU A 48 7.583 3.713 8.515 1.00 0.00 H new ATOM 0 HB2 GLU A 48 9.915 3.252 6.589 1.00 0.00 H new ATOM 0 HB3 GLU A 48 10.012 4.279 8.007 1.00 0.00 H new ATOM 0 HG2 GLU A 48 9.371 1.296 8.088 1.00 0.00 H new ATOM 0 HG3 GLU A 48 10.967 1.972 8.346 1.00 0.00 H new ATOM 769 N GLU A 49 7.103 4.981 5.646 1.00 0.00 N ATOM 770 CA GLU A 49 6.797 6.152 4.806 1.00 0.00 C ATOM 771 C GLU A 49 5.335 6.140 4.300 1.00 0.00 C ATOM 772 O GLU A 49 4.954 6.896 3.403 1.00 0.00 O ATOM 773 CB GLU A 49 7.858 6.208 3.689 1.00 0.00 C ATOM 774 CG GLU A 49 7.983 7.565 2.982 1.00 0.00 C ATOM 775 CD GLU A 49 9.331 7.687 2.242 1.00 0.00 C ATOM 776 OE1 GLU A 49 9.675 6.776 1.450 1.00 0.00 O ATOM 777 OE2 GLU A 49 10.049 8.699 2.441 1.00 0.00 O ATOM 0 H GLU A 49 6.774 4.109 5.232 1.00 0.00 H new ATOM 0 HA GLU A 49 6.856 7.074 5.385 1.00 0.00 H new ATOM 0 HB2 GLU A 49 8.827 5.946 4.115 1.00 0.00 H new ATOM 0 HB3 GLU A 49 7.621 5.448 2.945 1.00 0.00 H new ATOM 0 HG2 GLU A 49 7.164 7.685 2.273 1.00 0.00 H new ATOM 0 HG3 GLU A 49 7.893 8.368 3.713 1.00 0.00 H new ATOM 784 N ILE A 50 4.507 5.265 4.879 1.00 0.00 N ATOM 785 CA ILE A 50 3.146 4.940 4.455 1.00 0.00 C ATOM 786 C ILE A 50 2.167 6.122 4.429 1.00 0.00 C ATOM 787 O ILE A 50 2.235 7.056 5.233 1.00 0.00 O ATOM 788 CB ILE A 50 2.625 3.807 5.370 1.00 0.00 C ATOM 789 CG1 ILE A 50 1.431 3.029 4.796 1.00 0.00 C ATOM 790 CG2 ILE A 50 2.293 4.281 6.794 1.00 0.00 C ATOM 791 CD1 ILE A 50 1.814 2.313 3.501 1.00 0.00 C ATOM 0 H ILE A 50 4.787 4.735 5.704 1.00 0.00 H new ATOM 0 HA ILE A 50 3.199 4.627 3.412 1.00 0.00 H new ATOM 0 HB ILE A 50 3.469 3.119 5.420 1.00 0.00 H new ATOM 0 HG12 ILE A 50 1.081 2.301 5.528 1.00 0.00 H new ATOM 0 HG13 ILE A 50 0.604 3.713 4.606 1.00 0.00 H new ATOM 0 HG21 ILE A 50 1.933 3.438 7.384 1.00 0.00 H new ATOM 0 HG22 ILE A 50 3.189 4.692 7.259 1.00 0.00 H new ATOM 0 HG23 ILE A 50 1.521 5.049 6.751 1.00 0.00 H new ATOM 0 HD11 ILE A 50 0.951 1.770 3.116 1.00 0.00 H new ATOM 0 HD12 ILE A 50 2.140 3.046 2.763 1.00 0.00 H new ATOM 0 HD13 ILE A 50 2.625 1.612 3.699 1.00 0.00 H new ATOM 803 N VAL A 51 1.202 6.017 3.516 1.00 0.00 N ATOM 804 CA VAL A 51 0.008 6.870 3.411 1.00 0.00 C ATOM 805 C VAL A 51 -1.234 5.981 3.539 1.00 0.00 C ATOM 806 O VAL A 51 -1.742 5.444 2.556 1.00 0.00 O ATOM 807 CB VAL A 51 0.016 7.728 2.126 1.00 0.00 C ATOM 808 CG1 VAL A 51 -1.205 8.656 2.071 1.00 0.00 C ATOM 809 CG2 VAL A 51 1.263 8.620 2.047 1.00 0.00 C ATOM 0 H VAL A 51 1.229 5.300 2.791 1.00 0.00 H new ATOM 0 HA VAL A 51 0.000 7.596 4.224 1.00 0.00 H new ATOM 0 HB VAL A 51 0.003 7.024 1.294 1.00 0.00 H new ATOM 0 HG11 VAL A 51 -1.172 9.247 1.156 1.00 0.00 H new ATOM 0 HG12 VAL A 51 -2.117 8.059 2.084 1.00 0.00 H new ATOM 0 HG13 VAL A 51 -1.195 9.322 2.934 1.00 0.00 H new ATOM 0 HG21 VAL A 51 1.232 9.208 1.130 1.00 0.00 H new ATOM 0 HG22 VAL A 51 1.286 9.290 2.907 1.00 0.00 H new ATOM 0 HG23 VAL A 51 2.157 7.996 2.049 1.00 0.00 H new ATOM 819 N GLU A 52 -1.695 5.739 4.767 1.00 0.00 N ATOM 820 CA GLU A 52 -2.872 4.888 5.012 1.00 0.00 C ATOM 821 C GLU A 52 -4.182 5.621 4.671 1.00 0.00 C ATOM 822 O GLU A 52 -4.362 6.791 5.022 1.00 0.00 O ATOM 823 CB GLU A 52 -2.929 4.379 6.464 1.00 0.00 C ATOM 824 CG GLU A 52 -1.630 3.771 7.005 1.00 0.00 C ATOM 825 CD GLU A 52 -1.784 3.432 8.499 1.00 0.00 C ATOM 826 OE1 GLU A 52 -2.475 2.440 8.831 1.00 0.00 O ATOM 827 OE2 GLU A 52 -1.220 4.153 9.357 1.00 0.00 O ATOM 0 H GLU A 52 -1.273 6.120 5.614 1.00 0.00 H new ATOM 0 HA GLU A 52 -2.766 4.027 4.351 1.00 0.00 H new ATOM 0 HB2 GLU A 52 -3.217 5.209 7.110 1.00 0.00 H new ATOM 0 HB3 GLU A 52 -3.717 3.630 6.537 1.00 0.00 H new ATOM 0 HG2 GLU A 52 -1.380 2.870 6.444 1.00 0.00 H new ATOM 0 HG3 GLU A 52 -0.807 4.472 6.866 1.00 0.00 H new ATOM 834 N ILE A 53 -5.113 4.922 4.015 1.00 0.00 N ATOM 835 CA ILE A 53 -6.440 5.427 3.616 1.00 0.00 C ATOM 836 C ILE A 53 -7.546 4.653 4.366 1.00 0.00 C ATOM 837 O ILE A 53 -7.411 3.466 4.668 1.00 0.00 O ATOM 838 CB ILE A 53 -6.565 5.352 2.072 1.00 0.00 C ATOM 839 CG1 ILE A 53 -5.511 6.258 1.383 1.00 0.00 C ATOM 840 CG2 ILE A 53 -7.970 5.746 1.584 1.00 0.00 C ATOM 841 CD1 ILE A 53 -5.262 5.896 -0.084 1.00 0.00 C ATOM 0 H ILE A 53 -4.963 3.953 3.735 1.00 0.00 H new ATOM 0 HA ILE A 53 -6.561 6.473 3.897 1.00 0.00 H new ATOM 0 HB ILE A 53 -6.386 4.312 1.798 1.00 0.00 H new ATOM 0 HG12 ILE A 53 -5.840 7.295 1.442 1.00 0.00 H new ATOM 0 HG13 ILE A 53 -4.571 6.190 1.931 1.00 0.00 H new ATOM 0 HG21 ILE A 53 -8.010 5.678 0.497 1.00 0.00 H new ATOM 0 HG22 ILE A 53 -8.708 5.071 2.017 1.00 0.00 H new ATOM 0 HG23 ILE A 53 -8.189 6.768 1.892 1.00 0.00 H new ATOM 0 HD11 ILE A 53 -4.514 6.569 -0.503 1.00 0.00 H new ATOM 0 HD12 ILE A 53 -4.903 4.869 -0.149 1.00 0.00 H new ATOM 0 HD13 ILE A 53 -6.192 5.992 -0.645 1.00 0.00 H new