USER MOD reduce.3.24.130724 H: found=0, std=0, add=426, rem=0, adj=12 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 35 THR OG1 : rot 180:sc= 0.19 USER MOD Set 1.2: A 37 ASN : amide:sc= 0 K(o=0.19,f=-1.2) USER MOD Set 2.1: A 19 SER OG : rot 123:sc= 1.02 USER MOD Set 2.2: A 21 THR OG1 : rot 90:sc= 1.14 USER MOD Set 3.1: A 16 SER OG : rot -166:sc= 0.989 USER MOD Set 3.2: A 46 SER OG : rot 71:sc= 2.09 USER MOD Single : A 3 CYS SG : rot 71:sc= 1.01 USER MOD Single : A 6 SER OG : rot 180:sc= 0 USER MOD Single : A 8 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 18 LYS NZ :NH3+ 170:sc= 2.05 (180deg=1.86) USER MOD Single : A 25 LYS NZ :NH3+ -163:sc= 1.06 (180deg=0.85) USER MOD Single : A 26 SER OG : rot -65:sc= 2.01 USER MOD Single : A 30 GLN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 31 TYR OH : rot 180:sc= 0 USER MOD Single : A 33 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 41 THR OG1 : rot 180:sc= 0.00791 USER MOD Single : A 42 ASN : amide:sc= 0.44 X(o=0.44,f=0) USER MOD ----------------------------------------------------------------- ATOM 18 N LEU A 2 -6.833 -1.506 -7.915 1.00 0.00 N ATOM 19 CA LEU A 2 -6.604 -2.674 -7.051 1.00 0.00 C ATOM 20 C LEU A 2 -5.113 -2.929 -6.838 1.00 0.00 C ATOM 21 O LEU A 2 -4.268 -2.405 -7.567 1.00 0.00 O ATOM 22 CB LEU A 2 -7.371 -3.907 -7.572 1.00 0.00 C ATOM 23 CG LEU A 2 -8.900 -3.733 -7.663 1.00 0.00 C ATOM 24 CD1 LEU A 2 -9.529 -4.994 -8.256 1.00 0.00 C ATOM 25 CD2 LEU A 2 -9.551 -3.495 -6.300 1.00 0.00 C ATOM 0 HA LEU A 2 -7.010 -2.458 -6.063 1.00 0.00 H new ATOM 0 HB2 LEU A 2 -6.990 -4.162 -8.561 1.00 0.00 H new ATOM 0 HB3 LEU A 2 -7.155 -4.753 -6.919 1.00 0.00 H new ATOM 0 HG LEU A 2 -9.073 -2.859 -8.291 1.00 0.00 H new ATOM 0 HD11 LEU A 2 -10.610 -4.867 -8.318 1.00 0.00 H new ATOM 0 HD12 LEU A 2 -9.126 -5.167 -9.254 1.00 0.00 H new ATOM 0 HD13 LEU A 2 -9.301 -5.849 -7.619 1.00 0.00 H new ATOM 0 HD21 LEU A 2 -10.628 -3.380 -6.426 1.00 0.00 H new ATOM 0 HD22 LEU A 2 -9.351 -4.345 -5.648 1.00 0.00 H new ATOM 0 HD23 LEU A 2 -9.139 -2.590 -5.853 1.00 0.00 H new ATOM 37 N CYS A 3 -4.798 -3.727 -5.814 1.00 0.00 N ATOM 38 CA CYS A 3 -3.462 -3.894 -5.288 1.00 0.00 C ATOM 39 C CYS A 3 -2.361 -4.172 -6.312 1.00 0.00 C ATOM 40 O CYS A 3 -2.420 -5.147 -7.057 1.00 0.00 O ATOM 41 CB CYS A 3 -3.484 -4.888 -4.115 1.00 0.00 C ATOM 42 SG CYS A 3 -5.005 -4.891 -3.145 1.00 0.00 S ATOM 0 H CYS A 3 -5.494 -4.286 -5.321 1.00 0.00 H new ATOM 0 HA CYS A 3 -3.162 -2.914 -4.916 1.00 0.00 H new ATOM 0 HB2 CYS A 3 -3.319 -5.892 -4.506 1.00 0.00 H new ATOM 0 HB3 CYS A 3 -2.649 -4.663 -3.452 1.00 0.00 H new ATOM 0 HG CYS A 3 -5.963 -5.425 -3.842 1.00 0.00 H new ATOM 48 N ALA A 4 -1.311 -3.348 -6.289 1.00 0.00 N ATOM 49 CA ALA A 4 -0.165 -3.538 -7.195 1.00 0.00 C ATOM 50 C ALA A 4 0.675 -4.785 -6.841 1.00 0.00 C ATOM 51 O ALA A 4 1.500 -5.241 -7.636 1.00 0.00 O ATOM 52 CB ALA A 4 0.684 -2.264 -7.261 1.00 0.00 C ATOM 0 H ALA A 4 -1.226 -2.549 -5.661 1.00 0.00 H new ATOM 0 HA ALA A 4 -0.563 -3.728 -8.192 1.00 0.00 H new ATOM 0 HB1 ALA A 4 1.526 -2.422 -7.935 1.00 0.00 H new ATOM 0 HB2 ALA A 4 0.074 -1.439 -7.630 1.00 0.00 H new ATOM 0 HB3 ALA A 4 1.056 -2.023 -6.265 1.00 0.00 H new ATOM 58 N ILE A 5 0.441 -5.350 -5.649 1.00 0.00 N ATOM 59 CA ILE A 5 1.079 -6.551 -5.103 1.00 0.00 C ATOM 60 C ILE A 5 0.289 -7.822 -5.486 1.00 0.00 C ATOM 61 O ILE A 5 0.859 -8.708 -6.126 1.00 0.00 O ATOM 62 CB ILE A 5 1.279 -6.373 -3.581 1.00 0.00 C ATOM 63 CG1 ILE A 5 2.239 -5.198 -3.287 1.00 0.00 C ATOM 64 CG2 ILE A 5 1.847 -7.675 -2.985 1.00 0.00 C ATOM 65 CD1 ILE A 5 2.194 -4.752 -1.824 1.00 0.00 C ATOM 0 H ILE A 5 -0.241 -4.955 -5.002 1.00 0.00 H new ATOM 0 HA ILE A 5 2.067 -6.686 -5.543 1.00 0.00 H new ATOM 0 HB ILE A 5 0.315 -6.149 -3.124 1.00 0.00 H new ATOM 0 HG12 ILE A 5 3.257 -5.493 -3.542 1.00 0.00 H new ATOM 0 HG13 ILE A 5 1.982 -4.355 -3.928 1.00 0.00 H new ATOM 0 HG21 ILE A 5 1.989 -7.552 -1.911 1.00 0.00 H new ATOM 0 HG22 ILE A 5 1.150 -8.493 -3.168 1.00 0.00 H new ATOM 0 HG23 ILE A 5 2.804 -7.902 -3.454 1.00 0.00 H new ATOM 0 HD11 ILE A 5 2.888 -3.925 -1.674 1.00 0.00 H new ATOM 0 HD12 ILE A 5 1.184 -4.429 -1.573 1.00 0.00 H new ATOM 0 HD13 ILE A 5 2.479 -5.585 -1.181 1.00 0.00 H new ATOM 77 N SER A 6 -1.008 -7.917 -5.132 1.00 0.00 N ATOM 78 CA SER A 6 -1.849 -9.115 -5.388 1.00 0.00 C ATOM 79 C SER A 6 -3.174 -8.875 -6.126 1.00 0.00 C ATOM 80 O SER A 6 -3.796 -9.841 -6.572 1.00 0.00 O ATOM 81 CB SER A 6 -2.118 -9.935 -4.114 1.00 0.00 C ATOM 82 OG SER A 6 -0.916 -10.262 -3.433 1.00 0.00 O ATOM 0 H SER A 6 -1.508 -7.165 -4.658 1.00 0.00 H new ATOM 0 HA SER A 6 -1.224 -9.684 -6.076 1.00 0.00 H new ATOM 0 HB2 SER A 6 -2.770 -9.369 -3.449 1.00 0.00 H new ATOM 0 HB3 SER A 6 -2.648 -10.851 -4.376 1.00 0.00 H new ATOM 0 HG SER A 6 -1.126 -10.781 -2.629 1.00 0.00 H new ATOM 88 N GLY A 7 -3.618 -7.624 -6.297 1.00 0.00 N ATOM 89 CA GLY A 7 -4.771 -7.287 -7.139 1.00 0.00 C ATOM 90 C GLY A 7 -6.128 -7.631 -6.524 1.00 0.00 C ATOM 91 O GLY A 7 -7.154 -7.678 -7.205 1.00 0.00 O ATOM 0 H GLY A 7 -3.185 -6.814 -5.853 1.00 0.00 H new ATOM 0 HA2 GLY A 7 -4.746 -6.219 -7.357 1.00 0.00 H new ATOM 0 HA3 GLY A 7 -4.675 -7.809 -8.091 1.00 0.00 H new ATOM 95 N LYS A 8 -6.092 -7.901 -5.223 1.00 0.00 N ATOM 96 CA LYS A 8 -7.189 -8.267 -4.331 1.00 0.00 C ATOM 97 C LYS A 8 -8.111 -7.068 -4.049 1.00 0.00 C ATOM 98 O LYS A 8 -7.734 -5.924 -4.293 1.00 0.00 O ATOM 99 CB LYS A 8 -6.464 -8.808 -3.086 1.00 0.00 C ATOM 100 CG LYS A 8 -7.358 -9.205 -1.904 1.00 0.00 C ATOM 101 CD LYS A 8 -6.519 -9.918 -0.839 1.00 0.00 C ATOM 102 CE LYS A 8 -7.403 -10.348 0.338 1.00 0.00 C ATOM 103 NZ LYS A 8 -6.625 -11.098 1.360 1.00 0.00 N ATOM 0 H LYS A 8 -5.207 -7.866 -4.717 1.00 0.00 H new ATOM 0 HA LYS A 8 -7.870 -9.009 -4.748 1.00 0.00 H new ATOM 0 HB2 LYS A 8 -5.879 -9.679 -3.381 1.00 0.00 H new ATOM 0 HB3 LYS A 8 -5.759 -8.051 -2.744 1.00 0.00 H new ATOM 0 HG2 LYS A 8 -7.828 -8.319 -1.477 1.00 0.00 H new ATOM 0 HG3 LYS A 8 -8.161 -9.858 -2.246 1.00 0.00 H new ATOM 0 HD2 LYS A 8 -6.032 -10.791 -1.274 1.00 0.00 H new ATOM 0 HD3 LYS A 8 -5.729 -9.256 -0.486 1.00 0.00 H new ATOM 0 HE2 LYS A 8 -7.854 -9.468 0.796 1.00 0.00 H new ATOM 0 HE3 LYS A 8 -8.220 -10.970 -0.028 1.00 0.00 H new ATOM 0 HZ1 LYS A 8 -7.253 -11.373 2.142 1.00 0.00 H new ATOM 0 HZ2 LYS A 8 -6.216 -11.951 0.928 1.00 0.00 H new ATOM 0 HZ3 LYS A 8 -5.861 -10.495 1.726 1.00 0.00 H new ATOM 117 N VAL A 9 -9.319 -7.310 -3.533 1.00 0.00 N ATOM 118 CA VAL A 9 -10.206 -6.259 -3.001 1.00 0.00 C ATOM 119 C VAL A 9 -9.680 -5.816 -1.620 1.00 0.00 C ATOM 120 O VAL A 9 -9.683 -6.623 -0.685 1.00 0.00 O ATOM 121 CB VAL A 9 -11.684 -6.712 -2.993 1.00 0.00 C ATOM 122 CG1 VAL A 9 -12.002 -7.983 -2.192 1.00 0.00 C ATOM 123 CG2 VAL A 9 -12.599 -5.576 -2.516 1.00 0.00 C ATOM 0 H VAL A 9 -9.717 -8.247 -3.470 1.00 0.00 H new ATOM 0 HA VAL A 9 -10.189 -5.387 -3.655 1.00 0.00 H new ATOM 0 HB VAL A 9 -11.876 -6.971 -4.034 1.00 0.00 H new ATOM 0 HG11 VAL A 9 -13.068 -8.200 -2.261 1.00 0.00 H new ATOM 0 HG12 VAL A 9 -11.434 -8.820 -2.598 1.00 0.00 H new ATOM 0 HG13 VAL A 9 -11.729 -7.832 -1.147 1.00 0.00 H new ATOM 0 HG21 VAL A 9 -13.634 -5.917 -2.518 1.00 0.00 H new ATOM 0 HG22 VAL A 9 -12.316 -5.281 -1.505 1.00 0.00 H new ATOM 0 HG23 VAL A 9 -12.497 -4.722 -3.185 1.00 0.00 H new ATOM 133 N PRO A 10 -9.132 -4.592 -1.463 1.00 0.00 N ATOM 134 CA PRO A 10 -8.425 -4.210 -0.241 1.00 0.00 C ATOM 135 C PRO A 10 -9.379 -4.029 0.950 1.00 0.00 C ATOM 136 O PRO A 10 -10.357 -3.277 0.877 1.00 0.00 O ATOM 137 CB PRO A 10 -7.658 -2.935 -0.603 1.00 0.00 C ATOM 138 CG PRO A 10 -8.529 -2.292 -1.682 1.00 0.00 C ATOM 139 CD PRO A 10 -9.086 -3.501 -2.432 1.00 0.00 C ATOM 0 HA PRO A 10 -7.742 -4.990 0.095 1.00 0.00 H new ATOM 0 HB2 PRO A 10 -7.538 -2.280 0.260 1.00 0.00 H new ATOM 0 HB3 PRO A 10 -6.658 -3.159 -0.975 1.00 0.00 H new ATOM 0 HG2 PRO A 10 -9.323 -1.682 -1.251 1.00 0.00 H new ATOM 0 HG3 PRO A 10 -7.948 -1.642 -2.337 1.00 0.00 H new ATOM 0 HD2 PRO A 10 -10.079 -3.290 -2.829 1.00 0.00 H new ATOM 0 HD3 PRO A 10 -8.452 -3.759 -3.280 1.00 0.00 H new ATOM 147 N ARG A 11 -9.086 -4.719 2.060 1.00 0.00 N ATOM 148 CA ARG A 11 -9.738 -4.540 3.371 1.00 0.00 C ATOM 149 C ARG A 11 -9.202 -3.310 4.111 1.00 0.00 C ATOM 150 O ARG A 11 -9.976 -2.625 4.781 1.00 0.00 O ATOM 151 CB ARG A 11 -9.641 -5.822 4.224 1.00 0.00 C ATOM 152 CG ARG A 11 -8.211 -6.346 4.410 1.00 0.00 C ATOM 153 CD ARG A 11 -8.142 -7.577 5.313 1.00 0.00 C ATOM 154 NE ARG A 11 -6.776 -8.131 5.321 1.00 0.00 N ATOM 155 CZ ARG A 11 -6.395 -9.303 5.793 1.00 0.00 C ATOM 156 NH1 ARG A 11 -7.214 -10.104 6.416 1.00 0.00 N ATOM 157 NH2 ARG A 11 -5.170 -9.707 5.639 1.00 0.00 N ATOM 0 H ARG A 11 -8.366 -5.441 2.074 1.00 0.00 H new ATOM 0 HA ARG A 11 -10.797 -4.355 3.189 1.00 0.00 H new ATOM 0 HB2 ARG A 11 -10.075 -5.626 5.205 1.00 0.00 H new ATOM 0 HB3 ARG A 11 -10.244 -6.601 3.758 1.00 0.00 H new ATOM 0 HG2 ARG A 11 -7.790 -6.592 3.435 1.00 0.00 H new ATOM 0 HG3 ARG A 11 -7.592 -5.555 4.834 1.00 0.00 H new ATOM 0 HD2 ARG A 11 -8.439 -7.309 6.327 1.00 0.00 H new ATOM 0 HD3 ARG A 11 -8.846 -8.332 4.964 1.00 0.00 H new ATOM 0 HE ARG A 11 -6.045 -7.544 4.918 1.00 0.00 H new ATOM 0 HH11 ARG A 11 -8.188 -9.832 6.553 1.00 0.00 H new ATOM 0 HH12 ARG A 11 -6.881 -11.002 6.766 1.00 0.00 H new ATOM 0 HH21 ARG A 11 -4.496 -9.117 5.151 1.00 0.00 H new ATOM 0 HH22 ARG A 11 -4.882 -10.614 6.006 1.00 0.00 H new ATOM 171 N ARG A 12 -7.911 -2.988 3.941 1.00 0.00 N ATOM 172 CA ARG A 12 -7.270 -1.745 4.395 1.00 0.00 C ATOM 173 C ARG A 12 -6.480 -1.113 3.233 1.00 0.00 C ATOM 174 O ARG A 12 -5.278 -1.361 3.119 1.00 0.00 O ATOM 175 CB ARG A 12 -6.393 -2.041 5.626 1.00 0.00 C ATOM 176 CG ARG A 12 -7.211 -2.454 6.859 1.00 0.00 C ATOM 177 CD ARG A 12 -6.297 -2.718 8.060 1.00 0.00 C ATOM 178 NE ARG A 12 -7.061 -3.187 9.231 1.00 0.00 N ATOM 179 CZ ARG A 12 -7.673 -2.462 10.152 1.00 0.00 C ATOM 180 NH1 ARG A 12 -7.683 -1.159 10.124 1.00 0.00 N ATOM 181 NH2 ARG A 12 -8.298 -3.043 11.135 1.00 0.00 N ATOM 0 H ARG A 12 -7.259 -3.611 3.465 1.00 0.00 H new ATOM 0 HA ARG A 12 -8.021 -1.016 4.701 1.00 0.00 H new ATOM 0 HB2 ARG A 12 -5.689 -2.836 5.381 1.00 0.00 H new ATOM 0 HB3 ARG A 12 -5.804 -1.156 5.867 1.00 0.00 H new ATOM 0 HG2 ARG A 12 -7.925 -1.668 7.106 1.00 0.00 H new ATOM 0 HG3 ARG A 12 -7.789 -3.350 6.633 1.00 0.00 H new ATOM 0 HD2 ARG A 12 -5.548 -3.463 7.791 1.00 0.00 H new ATOM 0 HD3 ARG A 12 -5.760 -1.805 8.317 1.00 0.00 H new ATOM 0 HE ARG A 12 -7.125 -4.199 9.345 1.00 0.00 H new ATOM 0 HH11 ARG A 12 -7.207 -0.661 9.372 1.00 0.00 H new ATOM 0 HH12 ARG A 12 -8.167 -0.637 10.854 1.00 0.00 H new ATOM 0 HH21 ARG A 12 -8.317 -4.061 11.197 1.00 0.00 H new ATOM 0 HH22 ARG A 12 -8.769 -2.480 11.844 1.00 0.00 H new ATOM 195 N PRO A 13 -7.122 -0.330 2.341 1.00 0.00 N ATOM 196 CA PRO A 13 -6.456 0.344 1.234 1.00 0.00 C ATOM 197 C PRO A 13 -5.351 1.269 1.735 1.00 0.00 C ATOM 198 O PRO A 13 -5.496 2.038 2.686 1.00 0.00 O ATOM 199 CB PRO A 13 -7.536 1.071 0.423 1.00 0.00 C ATOM 200 CG PRO A 13 -8.746 1.084 1.351 1.00 0.00 C ATOM 201 CD PRO A 13 -8.548 -0.195 2.155 1.00 0.00 C ATOM 0 HA PRO A 13 -5.950 -0.372 0.586 1.00 0.00 H new ATOM 0 HB2 PRO A 13 -7.224 2.082 0.159 1.00 0.00 H new ATOM 0 HB3 PRO A 13 -7.753 0.550 -0.510 1.00 0.00 H new ATOM 0 HG2 PRO A 13 -8.761 1.968 1.989 1.00 0.00 H new ATOM 0 HG3 PRO A 13 -9.684 1.075 0.797 1.00 0.00 H new ATOM 0 HD2 PRO A 13 -9.063 -0.137 3.114 1.00 0.00 H new ATOM 0 HD3 PRO A 13 -8.956 -1.056 1.626 1.00 0.00 H new ATOM 209 N VAL A 14 -4.212 1.144 1.081 1.00 0.00 N ATOM 210 CA VAL A 14 -2.926 1.732 1.467 1.00 0.00 C ATOM 211 C VAL A 14 -2.167 2.168 0.218 1.00 0.00 C ATOM 212 O VAL A 14 -2.284 1.548 -0.834 1.00 0.00 O ATOM 213 CB VAL A 14 -2.158 0.687 2.312 1.00 0.00 C ATOM 214 CG1 VAL A 14 -0.638 0.688 2.175 1.00 0.00 C ATOM 215 CG2 VAL A 14 -2.445 0.920 3.797 1.00 0.00 C ATOM 0 H VAL A 14 -4.146 0.602 0.219 1.00 0.00 H new ATOM 0 HA VAL A 14 -3.058 2.627 2.075 1.00 0.00 H new ATOM 0 HB VAL A 14 -2.518 -0.267 1.926 1.00 0.00 H new ATOM 0 HG11 VAL A 14 -0.215 -0.087 2.814 1.00 0.00 H new ATOM 0 HG12 VAL A 14 -0.366 0.491 1.138 1.00 0.00 H new ATOM 0 HG13 VAL A 14 -0.246 1.660 2.475 1.00 0.00 H new ATOM 0 HG21 VAL A 14 -1.904 0.184 4.392 1.00 0.00 H new ATOM 0 HG22 VAL A 14 -2.121 1.922 4.077 1.00 0.00 H new ATOM 0 HG23 VAL A 14 -3.515 0.820 3.981 1.00 0.00 H new ATOM 225 N LEU A 15 -1.376 3.228 0.334 1.00 0.00 N ATOM 226 CA LEU A 15 -0.552 3.797 -0.733 1.00 0.00 C ATOM 227 C LEU A 15 0.851 4.112 -0.186 1.00 0.00 C ATOM 228 O LEU A 15 1.016 4.401 1.003 1.00 0.00 O ATOM 229 CB LEU A 15 -1.294 5.061 -1.234 1.00 0.00 C ATOM 230 CG LEU A 15 -0.560 5.964 -2.251 1.00 0.00 C ATOM 231 CD1 LEU A 15 -1.570 6.646 -3.176 1.00 0.00 C ATOM 232 CD2 LEU A 15 0.227 7.097 -1.583 1.00 0.00 C ATOM 0 H LEU A 15 -1.285 3.739 1.212 1.00 0.00 H new ATOM 0 HA LEU A 15 -0.410 3.107 -1.565 1.00 0.00 H new ATOM 0 HB2 LEU A 15 -2.234 4.743 -1.684 1.00 0.00 H new ATOM 0 HB3 LEU A 15 -1.546 5.669 -0.365 1.00 0.00 H new ATOM 0 HG LEU A 15 0.122 5.305 -2.788 1.00 0.00 H new ATOM 0 HD11 LEU A 15 -1.041 7.280 -3.888 1.00 0.00 H new ATOM 0 HD12 LEU A 15 -2.138 5.889 -3.716 1.00 0.00 H new ATOM 0 HD13 LEU A 15 -2.251 7.257 -2.584 1.00 0.00 H new ATOM 0 HD21 LEU A 15 0.721 7.697 -2.347 1.00 0.00 H new ATOM 0 HD22 LEU A 15 -0.455 7.727 -1.012 1.00 0.00 H new ATOM 0 HD23 LEU A 15 0.976 6.674 -0.914 1.00 0.00 H new ATOM 244 N SER A 16 1.849 4.132 -1.069 1.00 0.00 N ATOM 245 CA SER A 16 3.206 4.621 -0.790 1.00 0.00 C ATOM 246 C SER A 16 3.573 5.667 -1.854 1.00 0.00 C ATOM 247 O SER A 16 3.576 5.325 -3.037 1.00 0.00 O ATOM 248 CB SER A 16 4.223 3.472 -0.756 1.00 0.00 C ATOM 249 OG SER A 16 4.022 2.681 0.397 1.00 0.00 O ATOM 0 H SER A 16 1.736 3.800 -2.027 1.00 0.00 H new ATOM 0 HA SER A 16 3.231 5.081 0.198 1.00 0.00 H new ATOM 0 HB2 SER A 16 4.120 2.858 -1.651 1.00 0.00 H new ATOM 0 HB3 SER A 16 5.237 3.873 -0.760 1.00 0.00 H new ATOM 0 HG SER A 16 4.797 2.097 0.532 1.00 0.00 H new ATOM 255 N PRO A 17 3.868 6.939 -1.500 1.00 0.00 N ATOM 256 CA PRO A 17 4.112 8.038 -2.454 1.00 0.00 C ATOM 257 C PRO A 17 5.224 7.833 -3.499 1.00 0.00 C ATOM 258 O PRO A 17 5.370 8.649 -4.411 1.00 0.00 O ATOM 259 CB PRO A 17 4.433 9.266 -1.593 1.00 0.00 C ATOM 260 CG PRO A 17 3.690 8.988 -0.293 1.00 0.00 C ATOM 261 CD PRO A 17 3.834 7.478 -0.145 1.00 0.00 C ATOM 0 HA PRO A 17 3.218 8.128 -3.071 1.00 0.00 H new ATOM 0 HB2 PRO A 17 5.505 9.372 -1.428 1.00 0.00 H new ATOM 0 HB3 PRO A 17 4.090 10.188 -2.063 1.00 0.00 H new ATOM 0 HG2 PRO A 17 4.132 9.522 0.549 1.00 0.00 H new ATOM 0 HG3 PRO A 17 2.645 9.292 -0.350 1.00 0.00 H new ATOM 0 HD2 PRO A 17 4.745 7.225 0.398 1.00 0.00 H new ATOM 0 HD3 PRO A 17 3.000 7.061 0.419 1.00 0.00 H new ATOM 269 N LYS A 18 6.014 6.760 -3.393 1.00 0.00 N ATOM 270 CA LYS A 18 7.074 6.394 -4.337 1.00 0.00 C ATOM 271 C LYS A 18 6.486 5.829 -5.632 1.00 0.00 C ATOM 272 O LYS A 18 6.946 6.162 -6.725 1.00 0.00 O ATOM 273 CB LYS A 18 8.020 5.391 -3.659 1.00 0.00 C ATOM 274 CG LYS A 18 8.989 6.068 -2.663 1.00 0.00 C ATOM 275 CD LYS A 18 8.431 6.351 -1.252 1.00 0.00 C ATOM 276 CE LYS A 18 8.152 5.090 -0.422 1.00 0.00 C ATOM 277 NZ LYS A 18 9.418 4.419 -0.063 1.00 0.00 N ATOM 0 H LYS A 18 5.930 6.099 -2.620 1.00 0.00 H new ATOM 0 HA LYS A 18 7.640 7.284 -4.612 1.00 0.00 H new ATOM 0 HB2 LYS A 18 7.431 4.640 -3.133 1.00 0.00 H new ATOM 0 HB3 LYS A 18 8.596 4.868 -4.422 1.00 0.00 H new ATOM 0 HG2 LYS A 18 9.872 5.437 -2.562 1.00 0.00 H new ATOM 0 HG3 LYS A 18 9.320 7.012 -3.096 1.00 0.00 H new ATOM 0 HD2 LYS A 18 9.140 6.978 -0.712 1.00 0.00 H new ATOM 0 HD3 LYS A 18 7.507 6.922 -1.346 1.00 0.00 H new ATOM 0 HE2 LYS A 18 7.605 5.356 0.482 1.00 0.00 H new ATOM 0 HE3 LYS A 18 7.519 4.407 -0.988 1.00 0.00 H new ATOM 0 HZ1 LYS A 18 9.229 3.671 0.634 1.00 0.00 H new ATOM 0 HZ2 LYS A 18 9.842 4.000 -0.915 1.00 0.00 H new ATOM 0 HZ3 LYS A 18 10.076 5.114 0.345 1.00 0.00 H new ATOM 291 N SER A 19 5.437 5.017 -5.503 1.00 0.00 N ATOM 292 CA SER A 19 4.630 4.465 -6.595 1.00 0.00 C ATOM 293 C SER A 19 3.320 5.228 -6.844 1.00 0.00 C ATOM 294 O SER A 19 2.847 5.269 -7.981 1.00 0.00 O ATOM 295 CB SER A 19 4.318 3.006 -6.265 1.00 0.00 C ATOM 296 OG SER A 19 3.424 2.909 -5.171 1.00 0.00 O ATOM 0 H SER A 19 5.109 4.710 -4.587 1.00 0.00 H new ATOM 0 HA SER A 19 5.211 4.559 -7.512 1.00 0.00 H new ATOM 0 HB2 SER A 19 3.884 2.518 -7.137 1.00 0.00 H new ATOM 0 HB3 SER A 19 5.242 2.478 -6.031 1.00 0.00 H new ATOM 0 HG SER A 19 2.630 2.401 -5.441 1.00 0.00 H new ATOM 302 N ARG A 20 2.726 5.830 -5.797 1.00 0.00 N ATOM 303 CA ARG A 20 1.376 6.443 -5.755 1.00 0.00 C ATOM 304 C ARG A 20 0.222 5.504 -6.173 1.00 0.00 C ATOM 305 O ARG A 20 -0.905 5.960 -6.386 1.00 0.00 O ATOM 306 CB ARG A 20 1.376 7.798 -6.499 1.00 0.00 C ATOM 307 CG ARG A 20 2.026 8.913 -5.666 1.00 0.00 C ATOM 308 CD ARG A 20 2.155 10.209 -6.476 1.00 0.00 C ATOM 309 NE ARG A 20 2.328 11.401 -5.619 1.00 0.00 N ATOM 310 CZ ARG A 20 3.444 11.918 -5.136 1.00 0.00 C ATOM 311 NH1 ARG A 20 4.597 11.318 -5.208 1.00 0.00 N ATOM 312 NH2 ARG A 20 3.421 13.080 -4.545 1.00 0.00 N ATOM 0 H ARG A 20 3.202 5.909 -4.899 1.00 0.00 H new ATOM 0 HA ARG A 20 1.156 6.637 -4.705 1.00 0.00 H new ATOM 0 HB2 ARG A 20 1.910 7.693 -7.443 1.00 0.00 H new ATOM 0 HB3 ARG A 20 0.351 8.078 -6.742 1.00 0.00 H new ATOM 0 HG2 ARG A 20 1.429 9.098 -4.773 1.00 0.00 H new ATOM 0 HG3 ARG A 20 3.012 8.592 -5.330 1.00 0.00 H new ATOM 0 HD2 ARG A 20 3.005 10.127 -7.153 1.00 0.00 H new ATOM 0 HD3 ARG A 20 1.266 10.337 -7.094 1.00 0.00 H new ATOM 0 HE ARG A 20 1.470 11.891 -5.366 1.00 0.00 H new ATOM 0 HH11 ARG A 20 4.669 10.404 -5.654 1.00 0.00 H new ATOM 0 HH12 ARG A 20 5.428 11.762 -4.818 1.00 0.00 H new ATOM 0 HH21 ARG A 20 2.542 13.589 -4.456 1.00 0.00 H new ATOM 0 HH22 ARG A 20 4.282 13.480 -4.172 1.00 0.00 H new ATOM 326 N THR A 21 0.466 4.197 -6.266 1.00 0.00 N ATOM 327 CA THR A 21 -0.543 3.148 -6.462 1.00 0.00 C ATOM 328 C THR A 21 -1.295 2.826 -5.162 1.00 0.00 C ATOM 329 O THR A 21 -0.876 3.247 -4.083 1.00 0.00 O ATOM 330 CB THR A 21 0.150 1.884 -6.987 1.00 0.00 C ATOM 331 OG1 THR A 21 1.201 1.467 -6.136 1.00 0.00 O ATOM 332 CG2 THR A 21 0.765 2.118 -8.366 1.00 0.00 C ATOM 0 H THR A 21 1.412 3.821 -6.205 1.00 0.00 H new ATOM 0 HA THR A 21 -1.277 3.509 -7.183 1.00 0.00 H new ATOM 0 HB THR A 21 -0.626 1.120 -7.033 1.00 0.00 H new ATOM 0 HG1 THR A 21 0.852 0.843 -5.466 1.00 0.00 H new ATOM 0 HG21 THR A 21 1.248 1.203 -8.709 1.00 0.00 H new ATOM 0 HG22 THR A 21 -0.017 2.401 -9.070 1.00 0.00 H new ATOM 0 HG23 THR A 21 1.504 2.917 -8.304 1.00 0.00 H new ATOM 340 N ILE A 22 -2.384 2.047 -5.237 1.00 0.00 N ATOM 341 CA ILE A 22 -3.068 1.495 -4.066 1.00 0.00 C ATOM 342 C ILE A 22 -2.725 0.009 -3.962 1.00 0.00 C ATOM 343 O ILE A 22 -2.610 -0.691 -4.969 1.00 0.00 O ATOM 344 CB ILE A 22 -4.600 1.677 -4.196 1.00 0.00 C ATOM 345 CG1 ILE A 22 -5.052 3.116 -4.538 1.00 0.00 C ATOM 346 CG2 ILE A 22 -5.350 1.177 -2.944 1.00 0.00 C ATOM 347 CD1 ILE A 22 -4.676 4.179 -3.500 1.00 0.00 C ATOM 0 H ILE A 22 -2.816 1.782 -6.122 1.00 0.00 H new ATOM 0 HA ILE A 22 -2.740 2.020 -3.169 1.00 0.00 H new ATOM 0 HB ILE A 22 -4.868 1.057 -5.052 1.00 0.00 H new ATOM 0 HG12 ILE A 22 -4.619 3.398 -5.498 1.00 0.00 H new ATOM 0 HG13 ILE A 22 -6.135 3.120 -4.664 1.00 0.00 H new ATOM 0 HG21 ILE A 22 -6.422 1.324 -3.079 1.00 0.00 H new ATOM 0 HG22 ILE A 22 -5.145 0.117 -2.796 1.00 0.00 H new ATOM 0 HG23 ILE A 22 -5.014 1.737 -2.071 1.00 0.00 H new ATOM 0 HD11 ILE A 22 -5.036 5.153 -3.830 1.00 0.00 H new ATOM 0 HD12 ILE A 22 -5.132 3.929 -2.542 1.00 0.00 H new ATOM 0 HD13 ILE A 22 -3.592 4.212 -3.389 1.00 0.00 H new ATOM 359 N PHE A 23 -2.578 -0.478 -2.737 1.00 0.00 N ATOM 360 CA PHE A 23 -2.483 -1.882 -2.370 1.00 0.00 C ATOM 361 C PHE A 23 -3.195 -2.139 -1.051 1.00 0.00 C ATOM 362 O PHE A 23 -3.585 -1.231 -0.319 1.00 0.00 O ATOM 363 CB PHE A 23 -1.047 -2.458 -2.406 1.00 0.00 C ATOM 364 CG PHE A 23 0.085 -1.454 -2.416 1.00 0.00 C ATOM 365 CD1 PHE A 23 0.271 -0.599 -1.327 1.00 0.00 C ATOM 366 CD2 PHE A 23 0.946 -1.359 -3.514 1.00 0.00 C ATOM 367 CE1 PHE A 23 1.237 0.424 -1.380 1.00 0.00 C ATOM 368 CE2 PHE A 23 1.928 -0.360 -3.578 1.00 0.00 C ATOM 369 CZ PHE A 23 2.060 0.550 -2.516 1.00 0.00 C ATOM 0 H PHE A 23 -2.518 0.136 -1.924 1.00 0.00 H new ATOM 0 HA PHE A 23 -3.002 -2.440 -3.149 1.00 0.00 H new ATOM 0 HB2 PHE A 23 -0.919 -3.108 -1.540 1.00 0.00 H new ATOM 0 HB3 PHE A 23 -0.954 -3.086 -3.292 1.00 0.00 H new ATOM 0 HD1 PHE A 23 -0.330 -0.724 -0.438 1.00 0.00 H new ATOM 0 HD2 PHE A 23 0.853 -2.066 -4.325 1.00 0.00 H new ATOM 0 HE1 PHE A 23 1.346 1.110 -0.553 1.00 0.00 H new ATOM 0 HE2 PHE A 23 2.578 -0.291 -4.438 1.00 0.00 H new ATOM 0 HZ PHE A 23 2.790 1.344 -2.570 1.00 0.00 H new ATOM 379 N GLU A 24 -3.406 -3.416 -0.779 1.00 0.00 N ATOM 380 CA GLU A 24 -3.928 -3.872 0.501 1.00 0.00 C ATOM 381 C GLU A 24 -2.794 -3.770 1.543 1.00 0.00 C ATOM 382 O GLU A 24 -1.694 -4.273 1.292 1.00 0.00 O ATOM 383 CB GLU A 24 -4.560 -5.262 0.310 1.00 0.00 C ATOM 384 CG GLU A 24 -4.639 -6.150 1.554 1.00 0.00 C ATOM 385 CD GLU A 24 -5.360 -5.471 2.713 1.00 0.00 C ATOM 386 OE1 GLU A 24 -6.303 -4.693 2.459 1.00 0.00 O ATOM 387 OE2 GLU A 24 -4.961 -5.722 3.874 1.00 0.00 O ATOM 0 H GLU A 24 -3.220 -4.169 -1.441 1.00 0.00 H new ATOM 0 HA GLU A 24 -4.736 -3.252 0.890 1.00 0.00 H new ATOM 0 HB2 GLU A 24 -5.569 -5.128 -0.079 1.00 0.00 H new ATOM 0 HB3 GLU A 24 -3.992 -5.793 -0.454 1.00 0.00 H new ATOM 0 HG2 GLU A 24 -5.155 -7.077 1.302 1.00 0.00 H new ATOM 0 HG3 GLU A 24 -3.631 -6.421 1.867 1.00 0.00 H new ATOM 394 N LYS A 25 -3.035 -3.118 2.698 1.00 0.00 N ATOM 395 CA LYS A 25 -2.076 -2.899 3.791 1.00 0.00 C ATOM 396 C LYS A 25 -1.332 -4.181 4.082 1.00 0.00 C ATOM 397 O LYS A 25 -0.106 -4.170 4.156 1.00 0.00 O ATOM 398 CB LYS A 25 -2.800 -2.434 5.068 1.00 0.00 C ATOM 399 CG LYS A 25 -1.816 -2.156 6.225 1.00 0.00 C ATOM 400 CD LYS A 25 -2.535 -1.538 7.428 1.00 0.00 C ATOM 401 CE LYS A 25 -1.576 -1.202 8.578 1.00 0.00 C ATOM 402 NZ LYS A 25 -1.157 -2.398 9.362 1.00 0.00 N ATOM 0 H LYS A 25 -3.948 -2.712 2.900 1.00 0.00 H new ATOM 0 HA LYS A 25 -1.375 -2.124 3.481 1.00 0.00 H new ATOM 0 HB2 LYS A 25 -3.370 -1.530 4.852 1.00 0.00 H new ATOM 0 HB3 LYS A 25 -3.516 -3.196 5.376 1.00 0.00 H new ATOM 0 HG2 LYS A 25 -1.332 -3.085 6.525 1.00 0.00 H new ATOM 0 HG3 LYS A 25 -1.030 -1.483 5.883 1.00 0.00 H new ATOM 0 HD2 LYS A 25 -3.050 -0.631 7.112 1.00 0.00 H new ATOM 0 HD3 LYS A 25 -3.298 -2.230 7.786 1.00 0.00 H new ATOM 0 HE2 LYS A 25 -0.690 -0.713 8.173 1.00 0.00 H new ATOM 0 HE3 LYS A 25 -2.057 -0.488 9.246 1.00 0.00 H new ATOM 0 HZ1 LYS A 25 -0.759 -2.094 10.273 1.00 0.00 H new ATOM 0 HZ2 LYS A 25 -1.982 -3.008 9.531 1.00 0.00 H new ATOM 0 HZ3 LYS A 25 -0.438 -2.928 8.829 1.00 0.00 H new ATOM 416 N SER A 26 -2.077 -5.280 4.214 1.00 0.00 N ATOM 417 CA SER A 26 -1.463 -6.531 4.633 1.00 0.00 C ATOM 418 C SER A 26 -0.516 -7.154 3.594 1.00 0.00 C ATOM 419 O SER A 26 0.427 -7.845 3.987 1.00 0.00 O ATOM 420 CB SER A 26 -2.485 -7.539 5.163 1.00 0.00 C ATOM 421 OG SER A 26 -3.478 -7.849 4.205 1.00 0.00 O ATOM 0 H SER A 26 -3.081 -5.326 4.041 1.00 0.00 H new ATOM 0 HA SER A 26 -0.821 -6.254 5.469 1.00 0.00 H new ATOM 0 HB2 SER A 26 -1.971 -8.453 5.459 1.00 0.00 H new ATOM 0 HB3 SER A 26 -2.959 -7.136 6.058 1.00 0.00 H new ATOM 0 HG SER A 26 -4.011 -7.049 4.015 1.00 0.00 H new ATOM 427 N LEU A 27 -0.676 -6.865 2.291 1.00 0.00 N ATOM 428 CA LEU A 27 0.286 -7.303 1.266 1.00 0.00 C ATOM 429 C LEU A 27 1.555 -6.439 1.305 1.00 0.00 C ATOM 430 O LEU A 27 2.663 -6.969 1.199 1.00 0.00 O ATOM 431 CB LEU A 27 -0.282 -7.281 -0.171 1.00 0.00 C ATOM 432 CG LEU A 27 -1.788 -7.433 -0.389 1.00 0.00 C ATOM 433 CD1 LEU A 27 -2.104 -7.206 -1.859 1.00 0.00 C ATOM 434 CD2 LEU A 27 -2.370 -8.765 0.074 1.00 0.00 C ATOM 0 H LEU A 27 -1.463 -6.330 1.923 1.00 0.00 H new ATOM 0 HA LEU A 27 0.517 -8.339 1.513 1.00 0.00 H new ATOM 0 HB2 LEU A 27 0.020 -6.338 -0.627 1.00 0.00 H new ATOM 0 HB3 LEU A 27 0.211 -8.077 -0.729 1.00 0.00 H new ATOM 0 HG LEU A 27 -2.265 -6.680 0.239 1.00 0.00 H new ATOM 0 HD11 LEU A 27 -3.177 -7.313 -2.021 1.00 0.00 H new ATOM 0 HD12 LEU A 27 -1.792 -6.202 -2.148 1.00 0.00 H new ATOM 0 HD13 LEU A 27 -1.571 -7.940 -2.463 1.00 0.00 H new ATOM 0 HD21 LEU A 27 -3.442 -8.781 -0.121 1.00 0.00 H new ATOM 0 HD22 LEU A 27 -1.890 -9.580 -0.468 1.00 0.00 H new ATOM 0 HD23 LEU A 27 -2.194 -8.887 1.143 1.00 0.00 H new ATOM 446 N LEU A 28 1.407 -5.116 1.471 1.00 0.00 N ATOM 447 CA LEU A 28 2.561 -4.214 1.579 1.00 0.00 C ATOM 448 C LEU A 28 3.355 -4.545 2.844 1.00 0.00 C ATOM 449 O LEU A 28 4.572 -4.666 2.787 1.00 0.00 O ATOM 450 CB LEU A 28 2.153 -2.730 1.559 1.00 0.00 C ATOM 451 CG LEU A 28 3.385 -1.791 1.487 1.00 0.00 C ATOM 452 CD1 LEU A 28 4.013 -1.775 0.093 1.00 0.00 C ATOM 453 CD2 LEU A 28 2.972 -0.375 1.883 1.00 0.00 C ATOM 0 H LEU A 28 0.502 -4.649 1.533 1.00 0.00 H new ATOM 0 HA LEU A 28 3.190 -4.372 0.703 1.00 0.00 H new ATOM 0 HB2 LEU A 28 1.504 -2.544 0.703 1.00 0.00 H new ATOM 0 HB3 LEU A 28 1.574 -2.501 2.454 1.00 0.00 H new ATOM 0 HG LEU A 28 4.134 -2.171 2.181 1.00 0.00 H new ATOM 0 HD11 LEU A 28 4.872 -1.104 0.089 1.00 0.00 H new ATOM 0 HD12 LEU A 28 4.337 -2.782 -0.172 1.00 0.00 H new ATOM 0 HD13 LEU A 28 3.278 -1.428 -0.633 1.00 0.00 H new ATOM 0 HD21 LEU A 28 3.838 0.284 1.832 1.00 0.00 H new ATOM 0 HD22 LEU A 28 2.202 -0.016 1.200 1.00 0.00 H new ATOM 0 HD23 LEU A 28 2.580 -0.381 2.900 1.00 0.00 H new ATOM 465 N GLU A 29 2.670 -4.747 3.971 1.00 0.00 N ATOM 466 CA GLU A 29 3.242 -5.143 5.261 1.00 0.00 C ATOM 467 C GLU A 29 4.080 -6.431 5.146 1.00 0.00 C ATOM 468 O GLU A 29 5.189 -6.507 5.677 1.00 0.00 O ATOM 469 CB GLU A 29 2.102 -5.280 6.281 1.00 0.00 C ATOM 470 CG GLU A 29 2.595 -5.404 7.727 1.00 0.00 C ATOM 471 CD GLU A 29 1.403 -5.405 8.705 1.00 0.00 C ATOM 472 OE1 GLU A 29 0.672 -4.386 8.776 1.00 0.00 O ATOM 473 OE2 GLU A 29 1.187 -6.422 9.409 1.00 0.00 O ATOM 0 H GLU A 29 1.657 -4.634 4.012 1.00 0.00 H new ATOM 0 HA GLU A 29 3.934 -4.373 5.603 1.00 0.00 H new ATOM 0 HB2 GLU A 29 1.446 -4.413 6.201 1.00 0.00 H new ATOM 0 HB3 GLU A 29 1.504 -6.157 6.032 1.00 0.00 H new ATOM 0 HG2 GLU A 29 3.170 -6.323 7.844 1.00 0.00 H new ATOM 0 HG3 GLU A 29 3.265 -4.577 7.961 1.00 0.00 H new ATOM 480 N GLN A 30 3.598 -7.420 4.384 1.00 0.00 N ATOM 481 CA GLN A 30 4.366 -8.627 4.054 1.00 0.00 C ATOM 482 C GLN A 30 5.650 -8.300 3.274 1.00 0.00 C ATOM 483 O GLN A 30 6.742 -8.729 3.644 1.00 0.00 O ATOM 484 CB GLN A 30 3.477 -9.593 3.254 1.00 0.00 C ATOM 485 CG GLN A 30 4.060 -11.013 3.210 1.00 0.00 C ATOM 486 CD GLN A 30 3.128 -11.986 2.492 1.00 0.00 C ATOM 487 OE1 GLN A 30 2.440 -12.797 3.101 1.00 0.00 O ATOM 488 NE2 GLN A 30 3.061 -11.953 1.177 1.00 0.00 N ATOM 0 H GLN A 30 2.662 -7.406 3.978 1.00 0.00 H new ATOM 0 HA GLN A 30 4.675 -9.099 4.987 1.00 0.00 H new ATOM 0 HB2 GLN A 30 2.483 -9.623 3.700 1.00 0.00 H new ATOM 0 HB3 GLN A 30 3.359 -9.218 2.237 1.00 0.00 H new ATOM 0 HG2 GLN A 30 5.025 -10.994 2.704 1.00 0.00 H new ATOM 0 HG3 GLN A 30 4.239 -11.364 4.226 1.00 0.00 H new ATOM 0 HE21 GLN A 30 3.627 -11.284 0.654 1.00 0.00 H new ATOM 0 HE22 GLN A 30 2.443 -12.596 0.682 1.00 0.00 H new ATOM 497 N TYR A 31 5.529 -7.522 2.198 1.00 0.00 N ATOM 498 CA TYR A 31 6.635 -7.201 1.291 1.00 0.00 C ATOM 499 C TYR A 31 7.705 -6.330 1.970 1.00 0.00 C ATOM 500 O TYR A 31 8.912 -6.498 1.772 1.00 0.00 O ATOM 501 CB TYR A 31 6.043 -6.515 0.053 1.00 0.00 C ATOM 502 CG TYR A 31 7.018 -6.313 -1.089 1.00 0.00 C ATOM 503 CD1 TYR A 31 7.612 -7.422 -1.719 1.00 0.00 C ATOM 504 CD2 TYR A 31 7.311 -5.016 -1.547 1.00 0.00 C ATOM 505 CE1 TYR A 31 8.473 -7.239 -2.820 1.00 0.00 C ATOM 506 CE2 TYR A 31 8.212 -4.833 -2.612 1.00 0.00 C ATOM 507 CZ TYR A 31 8.790 -5.938 -3.261 1.00 0.00 C ATOM 508 OH TYR A 31 9.646 -5.739 -4.301 1.00 0.00 O ATOM 0 H TYR A 31 4.646 -7.089 1.926 1.00 0.00 H new ATOM 0 HA TYR A 31 7.148 -8.117 0.999 1.00 0.00 H new ATOM 0 HB2 TYR A 31 5.202 -7.108 -0.306 1.00 0.00 H new ATOM 0 HB3 TYR A 31 5.645 -5.544 0.348 1.00 0.00 H new ATOM 0 HD1 TYR A 31 7.407 -8.419 -1.357 1.00 0.00 H new ATOM 0 HD2 TYR A 31 6.844 -4.161 -1.081 1.00 0.00 H new ATOM 0 HE1 TYR A 31 8.890 -8.097 -3.326 1.00 0.00 H new ATOM 0 HE2 TYR A 31 8.462 -3.833 -2.934 1.00 0.00 H new ATOM 0 HH TYR A 31 9.744 -4.778 -4.465 1.00 0.00 H new ATOM 518 N VAL A 32 7.258 -5.429 2.844 1.00 0.00 N ATOM 519 CA VAL A 32 8.095 -4.448 3.536 1.00 0.00 C ATOM 520 C VAL A 32 8.771 -5.013 4.802 1.00 0.00 C ATOM 521 O VAL A 32 9.739 -4.447 5.305 1.00 0.00 O ATOM 522 CB VAL A 32 7.272 -3.167 3.787 1.00 0.00 C ATOM 523 CG1 VAL A 32 6.410 -3.276 5.045 1.00 0.00 C ATOM 524 CG2 VAL A 32 8.093 -1.894 3.922 1.00 0.00 C ATOM 0 H VAL A 32 6.273 -5.359 3.098 1.00 0.00 H new ATOM 0 HA VAL A 32 8.935 -4.188 2.893 1.00 0.00 H new ATOM 0 HB VAL A 32 6.661 -3.090 2.888 1.00 0.00 H new ATOM 0 HG11 VAL A 32 5.848 -2.352 5.182 1.00 0.00 H new ATOM 0 HG12 VAL A 32 5.716 -4.110 4.940 1.00 0.00 H new ATOM 0 HG13 VAL A 32 7.050 -3.444 5.911 1.00 0.00 H new ATOM 0 HG21 VAL A 32 7.427 -1.049 4.096 1.00 0.00 H new ATOM 0 HG22 VAL A 32 8.782 -1.993 4.761 1.00 0.00 H new ATOM 0 HG23 VAL A 32 8.659 -1.727 3.006 1.00 0.00 H new ATOM 534 N LYS A 33 8.303 -6.160 5.304 1.00 0.00 N ATOM 535 CA LYS A 33 8.988 -6.947 6.353 1.00 0.00 C ATOM 536 C LYS A 33 9.851 -8.070 5.747 1.00 0.00 C ATOM 537 O LYS A 33 10.711 -8.628 6.427 1.00 0.00 O ATOM 538 CB LYS A 33 8.007 -7.432 7.439 1.00 0.00 C ATOM 539 CG LYS A 33 7.205 -8.692 7.079 1.00 0.00 C ATOM 540 CD LYS A 33 6.101 -9.011 8.100 1.00 0.00 C ATOM 541 CE LYS A 33 6.610 -9.329 9.516 1.00 0.00 C ATOM 542 NZ LYS A 33 7.393 -10.593 9.571 1.00 0.00 N ATOM 0 H LYS A 33 7.427 -6.580 4.994 1.00 0.00 H new ATOM 0 HA LYS A 33 9.685 -6.286 6.868 1.00 0.00 H new ATOM 0 HB2 LYS A 33 8.569 -7.627 8.353 1.00 0.00 H new ATOM 0 HB3 LYS A 33 7.307 -6.626 7.660 1.00 0.00 H new ATOM 0 HG2 LYS A 33 6.756 -8.561 6.095 1.00 0.00 H new ATOM 0 HG3 LYS A 33 7.885 -9.541 7.009 1.00 0.00 H new ATOM 0 HD2 LYS A 33 5.419 -8.162 8.155 1.00 0.00 H new ATOM 0 HD3 LYS A 33 5.523 -9.861 7.737 1.00 0.00 H new ATOM 0 HE2 LYS A 33 7.231 -8.505 9.869 1.00 0.00 H new ATOM 0 HE3 LYS A 33 5.761 -9.402 10.196 1.00 0.00 H new ATOM 0 HZ1 LYS A 33 7.713 -10.761 10.546 1.00 0.00 H new ATOM 0 HZ2 LYS A 33 6.795 -11.385 9.261 1.00 0.00 H new ATOM 0 HZ3 LYS A 33 8.219 -10.517 8.944 1.00 0.00 H new ATOM 556 N ASP A 34 9.663 -8.357 4.455 1.00 0.00 N ATOM 557 CA ASP A 34 10.508 -9.233 3.629 1.00 0.00 C ATOM 558 C ASP A 34 11.829 -8.546 3.256 1.00 0.00 C ATOM 559 O ASP A 34 12.914 -9.058 3.545 1.00 0.00 O ATOM 560 CB ASP A 34 9.763 -9.623 2.336 1.00 0.00 C ATOM 561 CG ASP A 34 9.474 -11.132 2.246 1.00 0.00 C ATOM 562 OD1 ASP A 34 10.435 -11.935 2.319 1.00 0.00 O ATOM 563 OD2 ASP A 34 8.297 -11.526 2.071 1.00 0.00 O ATOM 0 H ASP A 34 8.881 -7.967 3.929 1.00 0.00 H new ATOM 0 HA ASP A 34 10.730 -10.125 4.215 1.00 0.00 H new ATOM 0 HB2 ASP A 34 8.823 -9.074 2.284 1.00 0.00 H new ATOM 0 HB3 ASP A 34 10.357 -9.320 1.474 1.00 0.00 H new ATOM 568 N THR A 35 11.729 -7.383 2.602 1.00 0.00 N ATOM 569 CA THR A 35 12.872 -6.610 2.071 1.00 0.00 C ATOM 570 C THR A 35 12.784 -5.129 2.414 1.00 0.00 C ATOM 571 O THR A 35 13.795 -4.423 2.404 1.00 0.00 O ATOM 572 CB THR A 35 12.971 -6.715 0.540 1.00 0.00 C ATOM 573 OG1 THR A 35 11.787 -6.218 -0.054 1.00 0.00 O ATOM 574 CG2 THR A 35 13.201 -8.136 0.031 1.00 0.00 C ATOM 0 H THR A 35 10.830 -6.937 2.420 1.00 0.00 H new ATOM 0 HA THR A 35 13.752 -7.048 2.543 1.00 0.00 H new ATOM 0 HB THR A 35 13.841 -6.122 0.259 1.00 0.00 H new ATOM 0 HG1 THR A 35 11.857 -6.286 -1.029 1.00 0.00 H new ATOM 0 HG21 THR A 35 13.260 -8.128 -1.057 1.00 0.00 H new ATOM 0 HG22 THR A 35 14.134 -8.523 0.442 1.00 0.00 H new ATOM 0 HG23 THR A 35 12.374 -8.773 0.345 1.00 0.00 H new ATOM 582 N GLY A 36 11.573 -4.649 2.708 1.00 0.00 N ATOM 583 CA GLY A 36 11.274 -3.234 2.875 1.00 0.00 C ATOM 584 C GLY A 36 10.957 -2.523 1.559 1.00 0.00 C ATOM 585 O GLY A 36 10.500 -1.389 1.586 1.00 0.00 O ATOM 0 H GLY A 36 10.759 -5.250 2.838 1.00 0.00 H new ATOM 0 HA2 GLY A 36 10.426 -3.126 3.551 1.00 0.00 H new ATOM 0 HA3 GLY A 36 12.124 -2.744 3.349 1.00 0.00 H new ATOM 589 N ASN A 37 11.186 -3.139 0.407 1.00 0.00 N ATOM 590 CA ASN A 37 11.107 -2.451 -0.878 1.00 0.00 C ATOM 591 C ASN A 37 9.695 -1.935 -1.231 1.00 0.00 C ATOM 592 O ASN A 37 8.677 -2.445 -0.765 1.00 0.00 O ATOM 593 CB ASN A 37 11.619 -3.426 -1.954 1.00 0.00 C ATOM 594 CG ASN A 37 13.116 -3.703 -1.888 1.00 0.00 C ATOM 595 OD1 ASN A 37 13.898 -3.006 -1.255 1.00 0.00 O ATOM 596 ND2 ASN A 37 13.568 -4.737 -2.564 1.00 0.00 N ATOM 0 H ASN A 37 11.431 -4.126 0.335 1.00 0.00 H new ATOM 0 HA ASN A 37 11.722 -1.553 -0.823 1.00 0.00 H new ATOM 0 HB2 ASN A 37 11.082 -4.370 -1.858 1.00 0.00 H new ATOM 0 HB3 ASN A 37 11.379 -3.022 -2.938 1.00 0.00 H new ATOM 0 HD21 ASN A 37 14.565 -4.954 -2.558 1.00 0.00 H new ATOM 0 HD22 ASN A 37 12.922 -5.322 -3.094 1.00 0.00 H new ATOM 603 N ASP A 38 9.637 -0.918 -2.088 1.00 0.00 N ATOM 604 CA ASP A 38 8.415 -0.444 -2.744 1.00 0.00 C ATOM 605 C ASP A 38 8.075 -1.407 -3.909 1.00 0.00 C ATOM 606 O ASP A 38 8.964 -1.691 -4.716 1.00 0.00 O ATOM 607 CB ASP A 38 8.633 0.962 -3.313 1.00 0.00 C ATOM 608 CG ASP A 38 8.744 2.020 -2.216 1.00 0.00 C ATOM 609 OD1 ASP A 38 7.827 2.102 -1.364 1.00 0.00 O ATOM 610 OD2 ASP A 38 9.722 2.801 -2.234 1.00 0.00 O ATOM 0 H ASP A 38 10.463 -0.383 -2.355 1.00 0.00 H new ATOM 0 HA ASP A 38 7.602 -0.415 -2.018 1.00 0.00 H new ATOM 0 HB2 ASP A 38 9.541 0.971 -3.916 1.00 0.00 H new ATOM 0 HB3 ASP A 38 7.806 1.215 -3.977 1.00 0.00 H new ATOM 615 N PRO A 39 6.838 -1.919 -4.057 1.00 0.00 N ATOM 616 CA PRO A 39 6.487 -2.980 -5.027 1.00 0.00 C ATOM 617 C PRO A 39 6.783 -2.742 -6.524 1.00 0.00 C ATOM 618 O PRO A 39 6.604 -3.664 -7.322 1.00 0.00 O ATOM 619 CB PRO A 39 4.978 -3.173 -4.858 1.00 0.00 C ATOM 620 CG PRO A 39 4.729 -2.797 -3.404 1.00 0.00 C ATOM 621 CD PRO A 39 5.718 -1.667 -3.160 1.00 0.00 C ATOM 0 HA PRO A 39 7.125 -3.833 -4.794 1.00 0.00 H new ATOM 0 HB2 PRO A 39 4.414 -2.536 -5.539 1.00 0.00 H new ATOM 0 HB3 PRO A 39 4.680 -4.201 -5.063 1.00 0.00 H new ATOM 0 HG2 PRO A 39 3.701 -2.473 -3.243 1.00 0.00 H new ATOM 0 HG3 PRO A 39 4.907 -3.639 -2.735 1.00 0.00 H new ATOM 0 HD2 PRO A 39 5.263 -0.698 -3.365 1.00 0.00 H new ATOM 0 HD3 PRO A 39 6.045 -1.652 -2.120 1.00 0.00 H new ATOM 629 N ILE A 40 7.190 -1.532 -6.933 1.00 0.00 N ATOM 630 CA ILE A 40 7.298 -1.103 -8.344 1.00 0.00 C ATOM 631 C ILE A 40 8.679 -0.516 -8.670 1.00 0.00 C ATOM 632 O ILE A 40 9.260 -0.855 -9.702 1.00 0.00 O ATOM 633 CB ILE A 40 6.144 -0.125 -8.667 1.00 0.00 C ATOM 634 CG1 ILE A 40 4.798 -0.882 -8.731 1.00 0.00 C ATOM 635 CG2 ILE A 40 6.350 0.634 -9.993 1.00 0.00 C ATOM 636 CD1 ILE A 40 3.608 0.011 -8.381 1.00 0.00 C ATOM 0 H ILE A 40 7.462 -0.800 -6.276 1.00 0.00 H new ATOM 0 HA ILE A 40 7.201 -1.977 -8.987 1.00 0.00 H new ATOM 0 HB ILE A 40 6.134 0.608 -7.861 1.00 0.00 H new ATOM 0 HG12 ILE A 40 4.661 -1.289 -9.733 1.00 0.00 H new ATOM 0 HG13 ILE A 40 4.828 -1.728 -8.045 1.00 0.00 H new ATOM 0 HG21 ILE A 40 5.507 1.304 -10.163 1.00 0.00 H new ATOM 0 HG22 ILE A 40 7.271 1.215 -9.940 1.00 0.00 H new ATOM 0 HG23 ILE A 40 6.418 -0.080 -10.814 1.00 0.00 H new ATOM 0 HD11 ILE A 40 2.687 -0.569 -8.441 1.00 0.00 H new ATOM 0 HD12 ILE A 40 3.728 0.397 -7.369 1.00 0.00 H new ATOM 0 HD13 ILE A 40 3.559 0.843 -9.083 1.00 0.00 H new ATOM 648 N THR A 41 9.221 0.344 -7.800 1.00 0.00 N ATOM 649 CA THR A 41 10.555 0.963 -7.965 1.00 0.00 C ATOM 650 C THR A 41 11.645 0.245 -7.162 1.00 0.00 C ATOM 651 O THR A 41 12.827 0.546 -7.328 1.00 0.00 O ATOM 652 CB THR A 41 10.541 2.458 -7.617 1.00 0.00 C ATOM 653 OG1 THR A 41 9.795 2.657 -6.444 1.00 0.00 O ATOM 654 CG2 THR A 41 9.870 3.285 -8.715 1.00 0.00 C ATOM 0 H THR A 41 8.744 0.638 -6.948 1.00 0.00 H new ATOM 0 HA THR A 41 10.799 0.856 -9.022 1.00 0.00 H new ATOM 0 HB THR A 41 11.578 2.773 -7.499 1.00 0.00 H new ATOM 0 HG1 THR A 41 9.787 3.611 -6.220 1.00 0.00 H new ATOM 0 HG21 THR A 41 9.879 4.338 -8.434 1.00 0.00 H new ATOM 0 HG22 THR A 41 10.413 3.155 -9.651 1.00 0.00 H new ATOM 0 HG23 THR A 41 8.840 2.952 -8.843 1.00 0.00 H new ATOM 662 N ASN A 42 11.262 -0.719 -6.312 1.00 0.00 N ATOM 663 CA ASN A 42 12.072 -1.481 -5.370 1.00 0.00 C ATOM 664 C ASN A 42 13.066 -0.660 -4.528 1.00 0.00 C ATOM 665 O ASN A 42 14.105 -1.169 -4.103 1.00 0.00 O ATOM 666 CB ASN A 42 12.609 -2.748 -6.055 1.00 0.00 C ATOM 667 CG ASN A 42 13.712 -2.520 -7.079 1.00 0.00 C ATOM 668 OD1 ASN A 42 13.525 -2.696 -8.275 1.00 0.00 O ATOM 669 ND2 ASN A 42 14.902 -2.167 -6.651 1.00 0.00 N ATOM 0 H ASN A 42 10.284 -1.006 -6.268 1.00 0.00 H new ATOM 0 HA ASN A 42 11.423 -1.824 -4.564 1.00 0.00 H new ATOM 0 HB2 ASN A 42 12.984 -3.424 -5.287 1.00 0.00 H new ATOM 0 HB3 ASN A 42 11.779 -3.254 -6.547 1.00 0.00 H new ATOM 0 HD21 ASN A 42 15.666 -2.041 -7.315 1.00 0.00 H new ATOM 0 HD22 ASN A 42 15.062 -2.019 -5.655 1.00 0.00 H new ATOM 676 N GLU A 43 12.736 0.605 -4.256 1.00 0.00 N ATOM 677 CA GLU A 43 13.522 1.429 -3.328 1.00 0.00 C ATOM 678 C GLU A 43 13.309 0.944 -1.881 1.00 0.00 C ATOM 679 O GLU A 43 12.177 0.592 -1.533 1.00 0.00 O ATOM 680 CB GLU A 43 13.187 2.923 -3.458 1.00 0.00 C ATOM 681 CG GLU A 43 13.287 3.417 -4.906 1.00 0.00 C ATOM 682 CD GLU A 43 13.629 4.918 -4.972 1.00 0.00 C ATOM 683 OE1 GLU A 43 12.707 5.768 -4.922 1.00 0.00 O ATOM 684 OE2 GLU A 43 14.833 5.260 -5.081 1.00 0.00 O ATOM 0 H GLU A 43 11.932 1.082 -4.663 1.00 0.00 H new ATOM 0 HA GLU A 43 14.574 1.315 -3.591 1.00 0.00 H new ATOM 0 HB2 GLU A 43 12.179 3.101 -3.084 1.00 0.00 H new ATOM 0 HB3 GLU A 43 13.866 3.501 -2.831 1.00 0.00 H new ATOM 0 HG2 GLU A 43 14.051 2.846 -5.434 1.00 0.00 H new ATOM 0 HG3 GLU A 43 12.342 3.236 -5.419 1.00 0.00 H new ATOM 691 N PRO A 44 14.355 0.884 -1.036 1.00 0.00 N ATOM 692 CA PRO A 44 14.257 0.289 0.295 1.00 0.00 C ATOM 693 C PRO A 44 13.411 1.134 1.259 1.00 0.00 C ATOM 694 O PRO A 44 13.569 2.357 1.334 1.00 0.00 O ATOM 695 CB PRO A 44 15.701 0.137 0.779 1.00 0.00 C ATOM 696 CG PRO A 44 16.452 1.238 0.033 1.00 0.00 C ATOM 697 CD PRO A 44 15.725 1.297 -1.310 1.00 0.00 C ATOM 0 HA PRO A 44 13.743 -0.671 0.258 1.00 0.00 H new ATOM 0 HB2 PRO A 44 15.776 0.262 1.859 1.00 0.00 H new ATOM 0 HB3 PRO A 44 16.100 -0.850 0.544 1.00 0.00 H new ATOM 0 HG2 PRO A 44 16.403 2.190 0.561 1.00 0.00 H new ATOM 0 HG3 PRO A 44 17.508 0.996 -0.089 1.00 0.00 H new ATOM 0 HD2 PRO A 44 15.754 2.304 -1.727 1.00 0.00 H new ATOM 0 HD3 PRO A 44 16.195 0.636 -2.039 1.00 0.00 H new ATOM 705 N LEU A 45 12.556 0.445 2.026 1.00 0.00 N ATOM 706 CA LEU A 45 11.545 0.948 2.977 1.00 0.00 C ATOM 707 C LEU A 45 10.318 1.552 2.255 1.00 0.00 C ATOM 708 O LEU A 45 10.418 2.127 1.172 1.00 0.00 O ATOM 709 CB LEU A 45 12.126 1.863 4.079 1.00 0.00 C ATOM 710 CG LEU A 45 12.973 1.139 5.145 1.00 0.00 C ATOM 711 CD1 LEU A 45 14.334 0.645 4.646 1.00 0.00 C ATOM 712 CD2 LEU A 45 13.241 2.098 6.308 1.00 0.00 C ATOM 0 H LEU A 45 12.551 -0.575 1.997 1.00 0.00 H new ATOM 0 HA LEU A 45 11.181 0.075 3.519 1.00 0.00 H new ATOM 0 HB2 LEU A 45 12.740 2.630 3.607 1.00 0.00 H new ATOM 0 HB3 LEU A 45 11.303 2.375 4.577 1.00 0.00 H new ATOM 0 HG LEU A 45 12.391 0.264 5.436 1.00 0.00 H new ATOM 0 HD11 LEU A 45 14.862 0.149 5.460 1.00 0.00 H new ATOM 0 HD12 LEU A 45 14.188 -0.058 3.826 1.00 0.00 H new ATOM 0 HD13 LEU A 45 14.923 1.493 4.296 1.00 0.00 H new ATOM 0 HD21 LEU A 45 13.840 1.593 7.066 1.00 0.00 H new ATOM 0 HD22 LEU A 45 13.781 2.972 5.942 1.00 0.00 H new ATOM 0 HD23 LEU A 45 12.294 2.414 6.745 1.00 0.00 H new ATOM 724 N SER A 46 9.138 1.412 2.870 1.00 0.00 N ATOM 725 CA SER A 46 7.826 1.764 2.305 1.00 0.00 C ATOM 726 C SER A 46 6.891 2.275 3.397 1.00 0.00 C ATOM 727 O SER A 46 6.434 3.415 3.364 1.00 0.00 O ATOM 728 CB SER A 46 7.207 0.582 1.547 1.00 0.00 C ATOM 729 OG SER A 46 6.341 1.074 0.545 1.00 0.00 O ATOM 0 H SER A 46 9.066 1.035 3.815 1.00 0.00 H new ATOM 0 HA SER A 46 7.974 2.567 1.583 1.00 0.00 H new ATOM 0 HB2 SER A 46 7.991 -0.029 1.099 1.00 0.00 H new ATOM 0 HB3 SER A 46 6.658 -0.060 2.236 1.00 0.00 H new ATOM 0 HG SER A 46 6.869 1.480 -0.174 1.00 0.00 H new ATOM 735 N ILE A 47 6.662 1.449 4.420 1.00 0.00 N ATOM 736 CA ILE A 47 5.771 1.700 5.551 1.00 0.00 C ATOM 737 C ILE A 47 6.135 2.883 6.453 1.00 0.00 C ATOM 738 O ILE A 47 5.255 3.539 7.003 1.00 0.00 O ATOM 739 CB ILE A 47 5.599 0.384 6.324 1.00 0.00 C ATOM 740 CG1 ILE A 47 4.331 0.374 7.197 1.00 0.00 C ATOM 741 CG2 ILE A 47 6.845 -0.005 7.141 1.00 0.00 C ATOM 742 CD1 ILE A 47 3.735 -1.035 7.214 1.00 0.00 C ATOM 0 H ILE A 47 7.118 0.539 4.484 1.00 0.00 H new ATOM 0 HA ILE A 47 4.818 2.032 5.138 1.00 0.00 H new ATOM 0 HB ILE A 47 5.474 -0.384 5.561 1.00 0.00 H new ATOM 0 HG12 ILE A 47 4.573 0.691 8.212 1.00 0.00 H new ATOM 0 HG13 ILE A 47 3.602 1.084 6.807 1.00 0.00 H new ATOM 0 HG21 ILE A 47 6.659 -0.943 7.664 1.00 0.00 H new ATOM 0 HG22 ILE A 47 7.696 -0.125 6.471 1.00 0.00 H new ATOM 0 HG23 ILE A 47 7.063 0.778 7.868 1.00 0.00 H new ATOM 0 HD11 ILE A 47 2.837 -1.043 7.832 1.00 0.00 H new ATOM 0 HD12 ILE A 47 3.479 -1.334 6.198 1.00 0.00 H new ATOM 0 HD13 ILE A 47 4.464 -1.734 7.625 1.00 0.00 H new ATOM 754 N GLU A 48 7.415 3.243 6.524 1.00 0.00 N ATOM 755 CA GLU A 48 7.897 4.466 7.173 1.00 0.00 C ATOM 756 C GLU A 48 7.507 5.735 6.387 1.00 0.00 C ATOM 757 O GLU A 48 7.699 6.855 6.864 1.00 0.00 O ATOM 758 CB GLU A 48 9.423 4.394 7.372 1.00 0.00 C ATOM 759 CG GLU A 48 9.861 3.306 8.367 1.00 0.00 C ATOM 760 CD GLU A 48 9.297 3.539 9.785 1.00 0.00 C ATOM 761 OE1 GLU A 48 9.708 4.518 10.454 1.00 0.00 O ATOM 762 OE2 GLU A 48 8.446 2.742 10.249 1.00 0.00 O ATOM 0 H GLU A 48 8.166 2.681 6.123 1.00 0.00 H new ATOM 0 HA GLU A 48 7.413 4.535 8.147 1.00 0.00 H new ATOM 0 HB2 GLU A 48 9.899 4.207 6.409 1.00 0.00 H new ATOM 0 HB3 GLU A 48 9.782 5.362 7.723 1.00 0.00 H new ATOM 0 HG2 GLU A 48 9.531 2.332 8.004 1.00 0.00 H new ATOM 0 HG3 GLU A 48 10.950 3.277 8.413 1.00 0.00 H new ATOM 769 N GLU A 49 6.925 5.563 5.196 1.00 0.00 N ATOM 770 CA GLU A 49 6.471 6.625 4.286 1.00 0.00 C ATOM 771 C GLU A 49 5.000 6.436 3.850 1.00 0.00 C ATOM 772 O GLU A 49 4.510 7.133 2.960 1.00 0.00 O ATOM 773 CB GLU A 49 7.440 6.714 3.087 1.00 0.00 C ATOM 774 CG GLU A 49 8.861 7.124 3.502 1.00 0.00 C ATOM 775 CD GLU A 49 9.775 7.301 2.274 1.00 0.00 C ATOM 776 OE1 GLU A 49 10.336 6.293 1.779 1.00 0.00 O ATOM 777 OE2 GLU A 49 9.932 8.450 1.794 1.00 0.00 O ATOM 0 H GLU A 49 6.748 4.632 4.819 1.00 0.00 H new ATOM 0 HA GLU A 49 6.489 7.576 4.818 1.00 0.00 H new ATOM 0 HB2 GLU A 49 7.478 5.748 2.583 1.00 0.00 H new ATOM 0 HB3 GLU A 49 7.054 7.435 2.366 1.00 0.00 H new ATOM 0 HG2 GLU A 49 8.823 8.056 4.066 1.00 0.00 H new ATOM 0 HG3 GLU A 49 9.281 6.367 4.164 1.00 0.00 H new ATOM 784 N ILE A 50 4.289 5.493 4.481 1.00 0.00 N ATOM 785 CA ILE A 50 2.922 5.076 4.149 1.00 0.00 C ATOM 786 C ILE A 50 1.869 6.189 4.231 1.00 0.00 C ATOM 787 O ILE A 50 1.931 7.114 5.047 1.00 0.00 O ATOM 788 CB ILE A 50 2.527 3.884 5.046 1.00 0.00 C ATOM 789 CG1 ILE A 50 1.371 3.054 4.455 1.00 0.00 C ATOM 790 CG2 ILE A 50 2.228 4.304 6.498 1.00 0.00 C ATOM 791 CD1 ILE A 50 1.313 1.642 5.053 1.00 0.00 C ATOM 0 H ILE A 50 4.670 4.976 5.274 1.00 0.00 H new ATOM 0 HA ILE A 50 2.935 4.787 3.098 1.00 0.00 H new ATOM 0 HB ILE A 50 3.405 3.238 5.075 1.00 0.00 H new ATOM 0 HG12 ILE A 50 0.426 3.565 4.640 1.00 0.00 H new ATOM 0 HG13 ILE A 50 1.490 2.985 3.374 1.00 0.00 H new ATOM 0 HG21 ILE A 50 1.956 3.425 7.082 1.00 0.00 H new ATOM 0 HG22 ILE A 50 3.113 4.768 6.932 1.00 0.00 H new ATOM 0 HG23 ILE A 50 1.403 5.016 6.508 1.00 0.00 H new ATOM 0 HD11 ILE A 50 0.484 1.092 4.608 1.00 0.00 H new ATOM 0 HD12 ILE A 50 2.247 1.120 4.845 1.00 0.00 H new ATOM 0 HD13 ILE A 50 1.167 1.709 6.131 1.00 0.00 H new ATOM 803 N VAL A 51 0.856 6.025 3.388 1.00 0.00 N ATOM 804 CA VAL A 51 -0.416 6.759 3.342 1.00 0.00 C ATOM 805 C VAL A 51 -1.560 5.746 3.439 1.00 0.00 C ATOM 806 O VAL A 51 -1.931 5.116 2.450 1.00 0.00 O ATOM 807 CB VAL A 51 -0.513 7.641 2.082 1.00 0.00 C ATOM 808 CG1 VAL A 51 -1.844 8.401 2.019 1.00 0.00 C ATOM 809 CG2 VAL A 51 0.611 8.685 2.032 1.00 0.00 C ATOM 0 H VAL A 51 0.901 5.317 2.655 1.00 0.00 H new ATOM 0 HA VAL A 51 -0.481 7.446 4.186 1.00 0.00 H new ATOM 0 HB VAL A 51 -0.431 6.956 1.238 1.00 0.00 H new ATOM 0 HG11 VAL A 51 -1.872 9.011 1.116 1.00 0.00 H new ATOM 0 HG12 VAL A 51 -2.669 7.689 2.002 1.00 0.00 H new ATOM 0 HG13 VAL A 51 -1.938 9.044 2.894 1.00 0.00 H new ATOM 0 HG21 VAL A 51 0.508 9.287 1.129 1.00 0.00 H new ATOM 0 HG22 VAL A 51 0.547 9.330 2.908 1.00 0.00 H new ATOM 0 HG23 VAL A 51 1.577 8.180 2.023 1.00 0.00 H new ATOM 819 N GLU A 52 -2.092 5.518 4.641 1.00 0.00 N ATOM 820 CA GLU A 52 -3.193 4.566 4.866 1.00 0.00 C ATOM 821 C GLU A 52 -4.558 5.242 4.638 1.00 0.00 C ATOM 822 O GLU A 52 -4.906 6.212 5.320 1.00 0.00 O ATOM 823 CB GLU A 52 -3.136 3.937 6.275 1.00 0.00 C ATOM 824 CG GLU A 52 -1.753 3.475 6.757 1.00 0.00 C ATOM 825 CD GLU A 52 -1.826 3.000 8.220 1.00 0.00 C ATOM 826 OE1 GLU A 52 -2.355 1.893 8.477 1.00 0.00 O ATOM 827 OE2 GLU A 52 -1.361 3.734 9.126 1.00 0.00 O ATOM 0 H GLU A 52 -1.775 5.986 5.490 1.00 0.00 H new ATOM 0 HA GLU A 52 -3.072 3.762 4.140 1.00 0.00 H new ATOM 0 HB2 GLU A 52 -3.523 4.663 6.990 1.00 0.00 H new ATOM 0 HB3 GLU A 52 -3.809 3.080 6.295 1.00 0.00 H new ATOM 0 HG2 GLU A 52 -1.391 2.666 6.123 1.00 0.00 H new ATOM 0 HG3 GLU A 52 -1.038 4.293 6.669 1.00 0.00 H new ATOM 834 N ILE A 53 -5.343 4.740 3.680 1.00 0.00 N ATOM 835 CA ILE A 53 -6.719 5.176 3.409 1.00 0.00 C ATOM 836 C ILE A 53 -7.662 4.436 4.374 1.00 0.00 C ATOM 837 O ILE A 53 -8.017 3.276 4.153 1.00 0.00 O ATOM 838 CB ILE A 53 -7.107 4.967 1.922 1.00 0.00 C ATOM 839 CG1 ILE A 53 -6.142 5.663 0.928 1.00 0.00 C ATOM 840 CG2 ILE A 53 -8.522 5.525 1.682 1.00 0.00 C ATOM 841 CD1 ILE A 53 -4.959 4.793 0.474 1.00 0.00 C ATOM 0 H ILE A 53 -5.031 3.998 3.053 1.00 0.00 H new ATOM 0 HA ILE A 53 -6.806 6.249 3.582 1.00 0.00 H new ATOM 0 HB ILE A 53 -7.054 3.894 1.738 1.00 0.00 H new ATOM 0 HG12 ILE A 53 -6.707 5.973 0.049 1.00 0.00 H new ATOM 0 HG13 ILE A 53 -5.753 6.569 1.393 1.00 0.00 H new ATOM 0 HG21 ILE A 53 -8.798 5.380 0.638 1.00 0.00 H new ATOM 0 HG22 ILE A 53 -9.233 5.002 2.321 1.00 0.00 H new ATOM 0 HG23 ILE A 53 -8.538 6.589 1.917 1.00 0.00 H new ATOM 0 HD11 ILE A 53 -4.336 5.359 -0.219 1.00 0.00 H new ATOM 0 HD12 ILE A 53 -4.366 4.504 1.342 1.00 0.00 H new ATOM 0 HD13 ILE A 53 -5.335 3.899 -0.023 1.00 0.00 H new