USER MOD reduce.3.24.130724 H: found=0, std=0, add=586, rem=0, adj=15 USER MOD reduce.3.24.130724 removed 587 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 27 GLN : amide:sc= -0.702 K(o=-1.9,f=-2.9) USER MOD Set 1.2: A 41 GLN : amide:sc= -1.22 K(o=-1.9,f=-5!) USER MOD Single : A 1 TRP N :NH3+ 155:sc= 0.135 (180deg=-0.192) USER MOD Single : A 5 CYS SG : rot 180:sc= -1.49 USER MOD Single : A 6 LYS NZ :NH3+ 165:sc= -0.0266 (180deg=-0.261) USER MOD Single : A 11 THR OG1 : rot 31:sc= 0.149 USER MOD Single : A 12 HIS : no HD1:sc= -0.538 K(o=-0.54,f=0) USER MOD Single : A 15 GLN : amide:sc= 0.0448 X(o=0.045,f=0) USER MOD Single : A 18 SER OG : rot 180:sc= 0 USER MOD Single : A 19 SER OG : rot 180:sc= 0 USER MOD Single : A 21 THR OG1 : rot -130:sc= 0.824 USER MOD Single : A 29 GLN : amide:sc= -1.26 K(o=-1.3,f=0.24) USER MOD Single : A 34 THR OG1 : rot -27:sc= 0.251 USER MOD Single : A 40 SER OG : rot 180:sc= 0 USER MOD Single : A 47 TYR OH : rot 180:sc= -0.0294 USER MOD Single : A 51 CYS SG : rot 180:sc= 0 USER MOD Single : A 55 SER OG : rot 112:sc= 0.236 USER MOD Single : A 60 THR OG1 : rot 180:sc= 0 USER MOD Single : A 67 GLN : amide:sc= -0.113 X(o=-0.11,f=0) USER MOD Single : A 68 SER OG : rot 44:sc= 0.202 USER MOD Single : A 71 MET CE :methyl -132:sc= -2.91 (180deg=-8.27!) USER MOD ----------------------------------------------------------------- ATOM 1 N TRP A 1 1.641 -0.422 -0.631 1.00 0.00 N ATOM 2 CA TRP A 1 2.645 -0.208 -1.694 1.00 0.00 C ATOM 3 C TRP A 1 4.059 -0.505 -1.157 1.00 0.00 C ATOM 4 O TRP A 1 4.636 0.308 -0.418 1.00 0.00 O ATOM 5 CB TRP A 1 2.566 1.244 -2.243 1.00 0.00 C ATOM 6 CG TRP A 1 1.376 1.558 -3.120 1.00 0.00 C ATOM 7 CD1 TRP A 1 0.146 0.958 -3.126 1.00 0.00 C ATOM 8 CD2 TRP A 1 1.325 2.580 -4.122 1.00 0.00 C ATOM 9 NE1 TRP A 1 -0.639 1.512 -4.098 1.00 0.00 N ATOM 10 CE2 TRP A 1 0.058 2.515 -4.719 1.00 0.00 C ATOM 11 CE3 TRP A 1 2.241 3.530 -4.577 1.00 0.00 C ATOM 12 CZ2 TRP A 1 -0.324 3.371 -5.743 1.00 0.00 C ATOM 13 CZ3 TRP A 1 1.863 4.379 -5.593 1.00 0.00 C ATOM 14 CH2 TRP A 1 0.592 4.293 -6.173 1.00 0.00 C ATOM 0 H1 TRP A 1 0.797 0.153 -0.829 1.00 0.00 H new ATOM 0 H2 TRP A 1 1.376 -1.427 -0.601 1.00 0.00 H new ATOM 0 H3 TRP A 1 2.042 -0.143 0.287 1.00 0.00 H new ATOM 0 HA TRP A 1 2.430 -0.893 -2.514 1.00 0.00 H new ATOM 0 HB2 TRP A 1 2.560 1.931 -1.397 1.00 0.00 H new ATOM 0 HB3 TRP A 1 3.474 1.446 -2.811 1.00 0.00 H new ATOM 0 HD1 TRP A 1 -0.159 0.164 -2.461 1.00 0.00 H new ATOM 0 HE1 TRP A 1 -1.591 1.225 -4.325 1.00 0.00 H new ATOM 0 HE3 TRP A 1 3.227 3.598 -4.141 1.00 0.00 H new ATOM 0 HZ2 TRP A 1 -1.308 3.312 -6.184 1.00 0.00 H new ATOM 0 HZ3 TRP A 1 2.559 5.124 -5.949 1.00 0.00 H new ATOM 0 HH2 TRP A 1 0.329 4.967 -6.975 1.00 0.00 H new ATOM 27 N ARG A 2 4.599 -1.688 -1.510 1.00 0.00 N ATOM 28 CA ARG A 2 6.008 -2.034 -1.287 1.00 0.00 C ATOM 29 C ARG A 2 6.844 -1.560 -2.500 1.00 0.00 C ATOM 30 O ARG A 2 7.309 -2.360 -3.325 1.00 0.00 O ATOM 31 CB ARG A 2 6.179 -3.567 -1.003 1.00 0.00 C ATOM 32 CG ARG A 2 5.552 -4.522 -2.048 1.00 0.00 C ATOM 33 CD ARG A 2 5.839 -6.010 -1.759 1.00 0.00 C ATOM 34 NE ARG A 2 5.352 -6.428 -0.424 1.00 0.00 N ATOM 35 CZ ARG A 2 4.915 -7.659 -0.103 1.00 0.00 C ATOM 36 NH1 ARG A 2 4.815 -8.611 -1.019 1.00 0.00 N ATOM 37 NH2 ARG A 2 4.566 -7.922 1.142 1.00 0.00 N ATOM 0 H ARG A 2 4.064 -2.431 -1.960 1.00 0.00 H new ATOM 0 HA ARG A 2 6.374 -1.521 -0.398 1.00 0.00 H new ATOM 0 HB2 ARG A 2 7.244 -3.787 -0.931 1.00 0.00 H new ATOM 0 HB3 ARG A 2 5.742 -3.787 -0.029 1.00 0.00 H new ATOM 0 HG2 ARG A 2 4.474 -4.365 -2.074 1.00 0.00 H new ATOM 0 HG3 ARG A 2 5.935 -4.270 -3.037 1.00 0.00 H new ATOM 0 HD2 ARG A 2 5.365 -6.624 -2.525 1.00 0.00 H new ATOM 0 HD3 ARG A 2 6.912 -6.190 -1.825 1.00 0.00 H new ATOM 0 HE ARG A 2 5.348 -5.723 0.314 1.00 0.00 H new ATOM 0 HH11 ARG A 2 5.072 -8.416 -1.987 1.00 0.00 H new ATOM 0 HH12 ARG A 2 4.482 -9.538 -0.756 1.00 0.00 H new ATOM 0 HH21 ARG A 2 4.628 -7.194 1.854 1.00 0.00 H new ATOM 0 HH22 ARG A 2 4.234 -8.853 1.393 1.00 0.00 H new ATOM 51 N VAL A 3 6.996 -0.229 -2.617 1.00 0.00 N ATOM 52 CA VAL A 3 7.711 0.394 -3.745 1.00 0.00 C ATOM 53 C VAL A 3 9.230 0.264 -3.537 1.00 0.00 C ATOM 54 O VAL A 3 9.742 0.458 -2.426 1.00 0.00 O ATOM 55 CB VAL A 3 7.301 1.899 -3.932 1.00 0.00 C ATOM 56 CG1 VAL A 3 8.062 2.566 -5.103 1.00 0.00 C ATOM 57 CG2 VAL A 3 5.768 2.030 -4.121 1.00 0.00 C ATOM 0 H VAL A 3 6.630 0.440 -1.939 1.00 0.00 H new ATOM 0 HA VAL A 3 7.430 -0.132 -4.657 1.00 0.00 H new ATOM 0 HB VAL A 3 7.584 2.429 -3.022 1.00 0.00 H new ATOM 0 HG11 VAL A 3 7.748 3.605 -5.196 1.00 0.00 H new ATOM 0 HG12 VAL A 3 9.134 2.527 -4.909 1.00 0.00 H new ATOM 0 HG13 VAL A 3 7.841 2.036 -6.029 1.00 0.00 H new ATOM 0 HG21 VAL A 3 5.506 3.080 -4.249 1.00 0.00 H new ATOM 0 HG22 VAL A 3 5.461 1.469 -5.004 1.00 0.00 H new ATOM 0 HG23 VAL A 3 5.258 1.633 -3.243 1.00 0.00 H new ATOM 67 N ARG A 4 9.924 -0.074 -4.628 1.00 0.00 N ATOM 68 CA ARG A 4 11.350 -0.413 -4.612 1.00 0.00 C ATOM 69 C ARG A 4 12.182 0.851 -4.908 1.00 0.00 C ATOM 70 O ARG A 4 11.808 1.653 -5.763 1.00 0.00 O ATOM 71 CB ARG A 4 11.604 -1.533 -5.653 1.00 0.00 C ATOM 72 CG ARG A 4 10.615 -2.721 -5.533 1.00 0.00 C ATOM 73 CD ARG A 4 10.829 -3.802 -6.599 1.00 0.00 C ATOM 74 NE ARG A 4 9.748 -4.811 -6.566 1.00 0.00 N ATOM 75 CZ ARG A 4 9.910 -6.139 -6.644 1.00 0.00 C ATOM 76 NH1 ARG A 4 11.114 -6.679 -6.770 1.00 0.00 N ATOM 77 NH2 ARG A 4 8.849 -6.931 -6.598 1.00 0.00 N ATOM 0 H ARG A 4 9.507 -0.120 -5.558 1.00 0.00 H new ATOM 0 HA ARG A 4 11.652 -0.781 -3.632 1.00 0.00 H new ATOM 0 HB2 ARG A 4 11.533 -1.110 -6.655 1.00 0.00 H new ATOM 0 HB3 ARG A 4 12.622 -1.904 -5.535 1.00 0.00 H new ATOM 0 HG2 ARG A 4 10.717 -3.170 -4.545 1.00 0.00 H new ATOM 0 HG3 ARG A 4 9.595 -2.344 -5.608 1.00 0.00 H new ATOM 0 HD2 ARG A 4 10.868 -3.340 -7.586 1.00 0.00 H new ATOM 0 HD3 ARG A 4 11.790 -4.290 -6.437 1.00 0.00 H new ATOM 0 HE ARG A 4 8.793 -4.465 -6.476 1.00 0.00 H new ATOM 0 HH11 ARG A 4 11.940 -6.081 -6.809 1.00 0.00 H new ATOM 0 HH12 ARG A 4 11.215 -7.692 -6.828 1.00 0.00 H new ATOM 0 HH21 ARG A 4 7.916 -6.529 -6.504 1.00 0.00 H new ATOM 0 HH22 ARG A 4 8.965 -7.943 -6.657 1.00 0.00 H new ATOM 91 N CYS A 5 13.309 1.006 -4.200 1.00 0.00 N ATOM 92 CA CYS A 5 14.153 2.217 -4.245 1.00 0.00 C ATOM 93 C CYS A 5 15.590 1.873 -4.667 1.00 0.00 C ATOM 94 O CYS A 5 16.395 1.430 -3.841 1.00 0.00 O ATOM 95 CB CYS A 5 14.140 2.895 -2.854 1.00 0.00 C ATOM 96 SG CYS A 5 15.356 4.211 -2.626 1.00 0.00 S ATOM 0 H CYS A 5 13.668 0.288 -3.571 1.00 0.00 H new ATOM 0 HA CYS A 5 13.750 2.905 -4.988 1.00 0.00 H new ATOM 0 HB2 CYS A 5 13.146 3.307 -2.678 1.00 0.00 H new ATOM 0 HB3 CYS A 5 14.308 2.132 -2.094 1.00 0.00 H new ATOM 0 HG CYS A 5 15.246 4.701 -1.427 1.00 0.00 H new ATOM 102 N LYS A 6 15.903 2.061 -5.961 1.00 0.00 N ATOM 103 CA LYS A 6 17.268 1.885 -6.478 1.00 0.00 C ATOM 104 C LYS A 6 18.105 3.094 -6.030 1.00 0.00 C ATOM 105 O LYS A 6 17.952 4.192 -6.580 1.00 0.00 O ATOM 106 CB LYS A 6 17.279 1.769 -8.028 1.00 0.00 C ATOM 107 CG LYS A 6 18.656 1.382 -8.618 1.00 0.00 C ATOM 108 CD LYS A 6 19.065 -0.084 -8.274 1.00 0.00 C ATOM 109 CE LYS A 6 18.220 -1.130 -9.024 1.00 0.00 C ATOM 110 NZ LYS A 6 18.350 -0.997 -10.489 1.00 0.00 N ATOM 0 H LYS A 6 15.223 2.336 -6.670 1.00 0.00 H new ATOM 0 HA LYS A 6 17.687 0.959 -6.084 1.00 0.00 H new ATOM 0 HB2 LYS A 6 16.542 1.025 -8.332 1.00 0.00 H new ATOM 0 HB3 LYS A 6 16.966 2.721 -8.456 1.00 0.00 H new ATOM 0 HG2 LYS A 6 18.630 1.504 -9.701 1.00 0.00 H new ATOM 0 HG3 LYS A 6 19.415 2.066 -8.238 1.00 0.00 H new ATOM 0 HD2 LYS A 6 20.117 -0.230 -8.519 1.00 0.00 H new ATOM 0 HD3 LYS A 6 18.963 -0.243 -7.200 1.00 0.00 H new ATOM 0 HE2 LYS A 6 18.529 -2.131 -8.722 1.00 0.00 H new ATOM 0 HE3 LYS A 6 17.173 -1.021 -8.741 1.00 0.00 H new ATOM 0 HZ1 LYS A 6 17.983 -1.854 -10.949 1.00 0.00 H new ATOM 0 HZ2 LYS A 6 17.807 -0.171 -10.812 1.00 0.00 H new ATOM 0 HZ3 LYS A 6 19.352 -0.872 -10.739 1.00 0.00 H new ATOM 124 N ALA A 7 18.938 2.891 -4.999 1.00 0.00 N ATOM 125 CA ALA A 7 19.696 3.975 -4.353 1.00 0.00 C ATOM 126 C ALA A 7 21.017 3.450 -3.765 1.00 0.00 C ATOM 127 O ALA A 7 21.393 2.299 -4.005 1.00 0.00 O ATOM 128 CB ALA A 7 18.824 4.634 -3.272 1.00 0.00 C ATOM 0 H ALA A 7 19.106 1.972 -4.589 1.00 0.00 H new ATOM 0 HA ALA A 7 19.954 4.725 -5.100 1.00 0.00 H new ATOM 0 HB1 ALA A 7 19.384 5.437 -2.793 1.00 0.00 H new ATOM 0 HB2 ALA A 7 17.923 5.043 -3.730 1.00 0.00 H new ATOM 0 HB3 ALA A 7 18.546 3.890 -2.526 1.00 0.00 H new ATOM 170 N THR A 11 19.188 -2.032 -4.154 1.00 0.00 N ATOM 171 CA THR A 11 17.729 -1.931 -4.256 1.00 0.00 C ATOM 172 C THR A 11 17.095 -2.086 -2.860 1.00 0.00 C ATOM 173 O THR A 11 17.286 -3.109 -2.198 1.00 0.00 O ATOM 174 CB THR A 11 17.161 -3.015 -5.219 1.00 0.00 C ATOM 175 OG1 THR A 11 17.878 -2.977 -6.453 1.00 0.00 O ATOM 176 CG2 THR A 11 15.665 -2.810 -5.510 1.00 0.00 C ATOM 0 HA THR A 11 17.481 -0.950 -4.661 1.00 0.00 H new ATOM 0 HB THR A 11 17.280 -3.981 -4.728 1.00 0.00 H new ATOM 0 HG1 THR A 11 18.801 -2.694 -6.286 1.00 0.00 H new ATOM 0 HG21 THR A 11 15.316 -3.590 -6.186 1.00 0.00 H new ATOM 0 HG22 THR A 11 15.103 -2.859 -4.577 1.00 0.00 H new ATOM 0 HG23 THR A 11 15.515 -1.835 -5.973 1.00 0.00 H new ATOM 184 N HIS A 12 16.346 -1.065 -2.439 1.00 0.00 N ATOM 185 CA HIS A 12 15.713 -0.995 -1.111 1.00 0.00 C ATOM 186 C HIS A 12 14.199 -1.193 -1.254 1.00 0.00 C ATOM 187 O HIS A 12 13.687 -1.356 -2.372 1.00 0.00 O ATOM 188 CB HIS A 12 16.037 0.362 -0.438 1.00 0.00 C ATOM 189 CG HIS A 12 17.512 0.658 -0.349 1.00 0.00 C ATOM 190 ND1 HIS A 12 18.362 -0.011 0.503 1.00 0.00 N ATOM 191 CD2 HIS A 12 18.287 1.541 -1.027 1.00 0.00 C ATOM 192 CE1 HIS A 12 19.585 0.449 0.349 1.00 0.00 C ATOM 193 NE2 HIS A 12 19.570 1.389 -0.572 1.00 0.00 N ATOM 0 H HIS A 12 16.156 -0.247 -3.018 1.00 0.00 H new ATOM 0 HA HIS A 12 16.108 -1.788 -0.476 1.00 0.00 H new ATOM 0 HB2 HIS A 12 15.548 1.160 -0.997 1.00 0.00 H new ATOM 0 HB3 HIS A 12 15.613 0.370 0.566 1.00 0.00 H new ATOM 0 HD2 HIS A 12 17.954 2.235 -1.785 1.00 0.00 H new ATOM 0 HE1 HIS A 12 20.457 0.111 0.889 1.00 0.00 H new ATOM 0 HE2 HIS A 12 20.381 1.918 -0.894 1.00 0.00 H new ATOM 202 N LEU A 13 13.491 -1.171 -0.118 1.00 0.00 N ATOM 203 CA LEU A 13 12.048 -1.428 -0.071 1.00 0.00 C ATOM 204 C LEU A 13 11.410 -0.523 1.003 1.00 0.00 C ATOM 205 O LEU A 13 11.813 -0.556 2.172 1.00 0.00 O ATOM 206 CB LEU A 13 11.820 -2.951 0.205 1.00 0.00 C ATOM 207 CG LEU A 13 10.423 -3.560 -0.149 1.00 0.00 C ATOM 208 CD1 LEU A 13 9.330 -3.141 0.849 1.00 0.00 C ATOM 209 CD2 LEU A 13 10.033 -3.219 -1.605 1.00 0.00 C ATOM 0 H LEU A 13 13.903 -0.974 0.794 1.00 0.00 H new ATOM 0 HA LEU A 13 11.568 -1.189 -1.020 1.00 0.00 H new ATOM 0 HB2 LEU A 13 12.577 -3.508 -0.348 1.00 0.00 H new ATOM 0 HB3 LEU A 13 12.003 -3.130 1.265 1.00 0.00 H new ATOM 0 HG LEU A 13 10.509 -4.643 -0.067 1.00 0.00 H new ATOM 0 HD11 LEU A 13 8.380 -3.590 0.558 1.00 0.00 H new ATOM 0 HD12 LEU A 13 9.601 -3.480 1.849 1.00 0.00 H new ATOM 0 HD13 LEU A 13 9.233 -2.055 0.848 1.00 0.00 H new ATOM 0 HD21 LEU A 13 9.058 -3.652 -1.831 1.00 0.00 H new ATOM 0 HD22 LEU A 13 9.986 -2.137 -1.725 1.00 0.00 H new ATOM 0 HD23 LEU A 13 10.779 -3.628 -2.287 1.00 0.00 H new ATOM 221 N LEU A 14 10.424 0.294 0.582 1.00 0.00 N ATOM 222 CA LEU A 14 9.680 1.213 1.467 1.00 0.00 C ATOM 223 C LEU A 14 8.306 0.616 1.828 1.00 0.00 C ATOM 224 O LEU A 14 7.677 -0.086 1.018 1.00 0.00 O ATOM 225 CB LEU A 14 9.487 2.612 0.801 1.00 0.00 C ATOM 226 CG LEU A 14 10.726 3.574 0.757 1.00 0.00 C ATOM 227 CD1 LEU A 14 11.904 2.999 -0.062 1.00 0.00 C ATOM 228 CD2 LEU A 14 10.320 4.974 0.234 1.00 0.00 C ATOM 0 H LEU A 14 10.119 0.335 -0.390 1.00 0.00 H new ATOM 0 HA LEU A 14 10.267 1.344 2.376 1.00 0.00 H new ATOM 0 HB2 LEU A 14 9.149 2.453 -0.223 1.00 0.00 H new ATOM 0 HB3 LEU A 14 8.682 3.126 1.326 1.00 0.00 H new ATOM 0 HG LEU A 14 11.080 3.673 1.783 1.00 0.00 H new ATOM 0 HD11 LEU A 14 12.732 3.708 -0.057 1.00 0.00 H new ATOM 0 HD12 LEU A 14 12.230 2.058 0.381 1.00 0.00 H new ATOM 0 HD13 LEU A 14 11.582 2.825 -1.089 1.00 0.00 H new ATOM 0 HD21 LEU A 14 11.196 5.623 0.213 1.00 0.00 H new ATOM 0 HD22 LEU A 14 9.912 4.882 -0.773 1.00 0.00 H new ATOM 0 HD23 LEU A 14 9.566 5.404 0.893 1.00 0.00 H new ATOM 240 N GLN A 15 7.862 0.918 3.052 1.00 0.00 N ATOM 241 CA GLN A 15 6.545 0.539 3.594 1.00 0.00 C ATOM 242 C GLN A 15 5.746 1.812 3.927 1.00 0.00 C ATOM 243 O GLN A 15 6.315 2.906 3.972 1.00 0.00 O ATOM 244 CB GLN A 15 6.747 -0.333 4.870 1.00 0.00 C ATOM 245 CG GLN A 15 7.437 -1.691 4.620 1.00 0.00 C ATOM 246 CD GLN A 15 6.558 -2.678 3.851 1.00 0.00 C ATOM 247 OE1 GLN A 15 5.805 -3.446 4.451 1.00 0.00 O ATOM 248 NE2 GLN A 15 6.613 -2.650 2.526 1.00 0.00 N ATOM 0 H GLN A 15 8.424 1.450 3.717 1.00 0.00 H new ATOM 0 HA GLN A 15 5.988 -0.040 2.857 1.00 0.00 H new ATOM 0 HB2 GLN A 15 7.338 0.233 5.590 1.00 0.00 H new ATOM 0 HB3 GLN A 15 5.774 -0.514 5.328 1.00 0.00 H new ATOM 0 HG2 GLN A 15 8.360 -1.526 4.064 1.00 0.00 H new ATOM 0 HG3 GLN A 15 7.716 -2.132 5.577 1.00 0.00 H new ATOM 0 HE21 GLN A 15 7.246 -2.003 2.055 1.00 0.00 H new ATOM 0 HE22 GLN A 15 6.022 -3.275 1.978 1.00 0.00 H new ATOM 257 N GLY A 16 4.426 1.664 4.141 1.00 0.00 N ATOM 258 CA GLY A 16 3.562 2.791 4.555 1.00 0.00 C ATOM 259 C GLY A 16 3.152 3.719 3.410 1.00 0.00 C ATOM 260 O GLY A 16 2.497 4.745 3.642 1.00 0.00 O ATOM 0 H GLY A 16 3.932 0.778 4.035 1.00 0.00 H new ATOM 0 HA2 GLY A 16 2.663 2.392 5.024 1.00 0.00 H new ATOM 0 HA3 GLY A 16 4.084 3.375 5.313 1.00 0.00 H new ATOM 264 N LEU A 17 3.532 3.354 2.168 1.00 0.00 N ATOM 265 CA LEU A 17 3.198 4.130 0.962 1.00 0.00 C ATOM 266 C LEU A 17 1.778 3.790 0.478 1.00 0.00 C ATOM 267 O LEU A 17 1.395 2.622 0.376 1.00 0.00 O ATOM 268 CB LEU A 17 4.232 3.874 -0.165 1.00 0.00 C ATOM 269 CG LEU A 17 5.672 4.417 0.096 1.00 0.00 C ATOM 270 CD1 LEU A 17 6.636 4.015 -1.039 1.00 0.00 C ATOM 271 CD2 LEU A 17 5.662 5.953 0.295 1.00 0.00 C ATOM 0 H LEU A 17 4.078 2.514 1.976 1.00 0.00 H new ATOM 0 HA LEU A 17 3.232 5.189 1.220 1.00 0.00 H new ATOM 0 HB2 LEU A 17 4.295 2.799 -0.337 1.00 0.00 H new ATOM 0 HB3 LEU A 17 3.857 4.322 -1.085 1.00 0.00 H new ATOM 0 HG LEU A 17 6.034 3.961 1.018 1.00 0.00 H new ATOM 0 HD11 LEU A 17 7.631 4.408 -0.828 1.00 0.00 H new ATOM 0 HD12 LEU A 17 6.683 2.928 -1.109 1.00 0.00 H new ATOM 0 HD13 LEU A 17 6.277 4.424 -1.983 1.00 0.00 H new ATOM 0 HD21 LEU A 17 6.678 6.303 0.475 1.00 0.00 H new ATOM 0 HD22 LEU A 17 5.266 6.433 -0.600 1.00 0.00 H new ATOM 0 HD23 LEU A 17 5.035 6.205 1.150 1.00 0.00 H new ATOM 283 N SER A 18 1.006 4.832 0.228 1.00 0.00 N ATOM 284 CA SER A 18 -0.330 4.769 -0.365 1.00 0.00 C ATOM 285 C SER A 18 -0.307 5.467 -1.739 1.00 0.00 C ATOM 286 O SER A 18 0.731 5.994 -2.155 1.00 0.00 O ATOM 287 CB SER A 18 -1.337 5.448 0.590 1.00 0.00 C ATOM 288 OG SER A 18 -1.291 4.857 1.884 1.00 0.00 O ATOM 0 H SER A 18 1.299 5.786 0.439 1.00 0.00 H new ATOM 0 HA SER A 18 -0.636 3.733 -0.511 1.00 0.00 H new ATOM 0 HB2 SER A 18 -1.113 6.512 0.664 1.00 0.00 H new ATOM 0 HB3 SER A 18 -2.344 5.362 0.183 1.00 0.00 H new ATOM 0 HG SER A 18 -1.936 5.304 2.471 1.00 0.00 H new ATOM 294 N SER A 19 -1.454 5.484 -2.436 1.00 0.00 N ATOM 295 CA SER A 19 -1.585 6.169 -3.740 1.00 0.00 C ATOM 296 C SER A 19 -1.599 7.701 -3.565 1.00 0.00 C ATOM 297 O SER A 19 -1.218 8.446 -4.475 1.00 0.00 O ATOM 298 CB SER A 19 -2.869 5.696 -4.452 1.00 0.00 C ATOM 299 OG SER A 19 -4.011 5.882 -3.630 1.00 0.00 O ATOM 0 H SER A 19 -2.311 5.030 -2.119 1.00 0.00 H new ATOM 0 HA SER A 19 -0.721 5.912 -4.353 1.00 0.00 H new ATOM 0 HB2 SER A 19 -2.995 6.247 -5.384 1.00 0.00 H new ATOM 0 HB3 SER A 19 -2.775 4.642 -4.715 1.00 0.00 H new ATOM 0 HG SER A 19 -4.811 5.576 -4.107 1.00 0.00 H new ATOM 305 N ARG A 20 -2.060 8.155 -2.383 1.00 0.00 N ATOM 306 CA ARG A 20 -2.202 9.590 -2.053 1.00 0.00 C ATOM 307 C ARG A 20 -1.145 10.033 -1.023 1.00 0.00 C ATOM 308 O ARG A 20 -1.352 11.005 -0.283 1.00 0.00 O ATOM 309 CB ARG A 20 -3.644 9.859 -1.536 1.00 0.00 C ATOM 310 CG ARG A 20 -4.761 9.372 -2.493 1.00 0.00 C ATOM 311 CD ARG A 20 -6.174 9.743 -2.021 1.00 0.00 C ATOM 312 NE ARG A 20 -6.397 11.201 -2.044 1.00 0.00 N ATOM 313 CZ ARG A 20 -7.595 11.806 -2.094 1.00 0.00 C ATOM 314 NH1 ARG A 20 -8.718 11.100 -2.102 1.00 0.00 N ATOM 315 NH2 ARG A 20 -7.657 13.128 -2.144 1.00 0.00 N ATOM 0 H ARG A 20 -2.346 7.535 -1.625 1.00 0.00 H new ATOM 0 HA ARG A 20 -2.034 10.180 -2.954 1.00 0.00 H new ATOM 0 HB2 ARG A 20 -3.769 9.370 -0.570 1.00 0.00 H new ATOM 0 HB3 ARG A 20 -3.765 10.929 -1.369 1.00 0.00 H new ATOM 0 HG2 ARG A 20 -4.593 9.798 -3.482 1.00 0.00 H new ATOM 0 HG3 ARG A 20 -4.693 8.289 -2.597 1.00 0.00 H new ATOM 0 HD2 ARG A 20 -6.910 9.253 -2.659 1.00 0.00 H new ATOM 0 HD3 ARG A 20 -6.329 9.368 -1.009 1.00 0.00 H new ATOM 0 HE ARG A 20 -5.572 11.800 -2.020 1.00 0.00 H new ATOM 0 HH11 ARG A 20 -8.680 10.081 -2.070 1.00 0.00 H new ATOM 0 HH12 ARG A 20 -9.619 11.576 -2.140 1.00 0.00 H new ATOM 0 HH21 ARG A 20 -6.799 13.679 -2.144 1.00 0.00 H new ATOM 0 HH22 ARG A 20 -8.563 13.595 -2.182 1.00 0.00 H new ATOM 329 N THR A 21 -0.005 9.321 -0.994 1.00 0.00 N ATOM 330 CA THR A 21 1.177 9.731 -0.224 1.00 0.00 C ATOM 331 C THR A 21 1.765 11.033 -0.806 1.00 0.00 C ATOM 332 O THR A 21 2.005 11.129 -2.017 1.00 0.00 O ATOM 333 CB THR A 21 2.248 8.584 -0.190 1.00 0.00 C ATOM 334 OG1 THR A 21 1.799 7.557 0.701 1.00 0.00 O ATOM 335 CG2 THR A 21 3.650 9.053 0.240 1.00 0.00 C ATOM 0 H THR A 21 0.120 8.447 -1.504 1.00 0.00 H new ATOM 0 HA THR A 21 0.874 9.925 0.805 1.00 0.00 H new ATOM 0 HB THR A 21 2.347 8.215 -1.211 1.00 0.00 H new ATOM 0 HG1 THR A 21 2.517 7.331 1.328 1.00 0.00 H new ATOM 0 HG21 THR A 21 4.334 8.204 0.239 1.00 0.00 H new ATOM 0 HG22 THR A 21 4.010 9.810 -0.457 1.00 0.00 H new ATOM 0 HG23 THR A 21 3.600 9.477 1.243 1.00 0.00 H new ATOM 343 N ARG A 22 1.961 12.033 0.068 1.00 0.00 N ATOM 344 CA ARG A 22 2.502 13.347 -0.314 1.00 0.00 C ATOM 345 C ARG A 22 4.008 13.260 -0.624 1.00 0.00 C ATOM 346 O ARG A 22 4.670 12.274 -0.289 1.00 0.00 O ATOM 347 CB ARG A 22 2.226 14.376 0.815 1.00 0.00 C ATOM 348 CG ARG A 22 0.725 14.643 1.059 1.00 0.00 C ATOM 349 CD ARG A 22 0.464 15.581 2.252 1.00 0.00 C ATOM 350 NE ARG A 22 -0.943 16.046 2.290 1.00 0.00 N ATOM 351 CZ ARG A 22 -1.867 15.701 3.196 1.00 0.00 C ATOM 352 NH1 ARG A 22 -1.631 14.776 4.108 1.00 0.00 N ATOM 353 NH2 ARG A 22 -3.052 16.278 3.160 1.00 0.00 N ATOM 0 H ARG A 22 1.748 11.953 1.062 1.00 0.00 H new ATOM 0 HA ARG A 22 2.001 13.679 -1.224 1.00 0.00 H new ATOM 0 HB2 ARG A 22 2.677 14.017 1.740 1.00 0.00 H new ATOM 0 HB3 ARG A 22 2.717 15.316 0.565 1.00 0.00 H new ATOM 0 HG2 ARG A 22 0.289 15.078 0.160 1.00 0.00 H new ATOM 0 HG3 ARG A 22 0.217 13.694 1.232 1.00 0.00 H new ATOM 0 HD2 ARG A 22 0.700 15.062 3.181 1.00 0.00 H new ATOM 0 HD3 ARG A 22 1.130 16.442 2.190 1.00 0.00 H new ATOM 0 HE ARG A 22 -1.236 16.691 1.556 1.00 0.00 H new ATOM 0 HH11 ARG A 22 -0.727 14.305 4.134 1.00 0.00 H new ATOM 0 HH12 ARG A 22 -2.353 14.533 4.786 1.00 0.00 H new ATOM 0 HH21 ARG A 22 -3.257 16.979 2.448 1.00 0.00 H new ATOM 0 HH22 ARG A 22 -3.764 16.024 3.845 1.00 0.00 H new ATOM 367 N LEU A 23 4.525 14.327 -1.241 1.00 0.00 N ATOM 368 CA LEU A 23 5.935 14.453 -1.660 1.00 0.00 C ATOM 369 C LEU A 23 6.871 14.375 -0.442 1.00 0.00 C ATOM 370 O LEU A 23 7.878 13.653 -0.457 1.00 0.00 O ATOM 371 CB LEU A 23 6.087 15.799 -2.423 1.00 0.00 C ATOM 372 CG LEU A 23 7.489 16.131 -3.061 1.00 0.00 C ATOM 373 CD1 LEU A 23 7.319 16.960 -4.346 1.00 0.00 C ATOM 374 CD2 LEU A 23 8.442 16.863 -2.072 1.00 0.00 C ATOM 0 H LEU A 23 3.967 15.149 -1.471 1.00 0.00 H new ATOM 0 HA LEU A 23 6.215 13.631 -2.319 1.00 0.00 H new ATOM 0 HB2 LEU A 23 5.344 15.817 -3.220 1.00 0.00 H new ATOM 0 HB3 LEU A 23 5.834 16.605 -1.734 1.00 0.00 H new ATOM 0 HG LEU A 23 7.953 15.176 -3.307 1.00 0.00 H new ATOM 0 HD11 LEU A 23 8.299 17.178 -4.770 1.00 0.00 H new ATOM 0 HD12 LEU A 23 6.729 16.396 -5.068 1.00 0.00 H new ATOM 0 HD13 LEU A 23 6.809 17.894 -4.111 1.00 0.00 H new ATOM 0 HD21 LEU A 23 9.392 17.066 -2.566 1.00 0.00 H new ATOM 0 HD22 LEU A 23 7.988 17.803 -1.758 1.00 0.00 H new ATOM 0 HD23 LEU A 23 8.614 16.233 -1.199 1.00 0.00 H new ATOM 386 N ARG A 24 6.490 15.114 0.616 1.00 0.00 N ATOM 387 CA ARG A 24 7.240 15.187 1.889 1.00 0.00 C ATOM 388 C ARG A 24 7.337 13.799 2.577 1.00 0.00 C ATOM 389 O ARG A 24 8.311 13.507 3.277 1.00 0.00 O ATOM 390 CB ARG A 24 6.560 16.207 2.848 1.00 0.00 C ATOM 391 CG ARG A 24 5.206 15.727 3.420 1.00 0.00 C ATOM 392 CD ARG A 24 4.580 16.694 4.434 1.00 0.00 C ATOM 393 NE ARG A 24 3.730 15.991 5.420 1.00 0.00 N ATOM 394 CZ ARG A 24 2.612 16.472 5.969 1.00 0.00 C ATOM 395 NH1 ARG A 24 2.057 17.590 5.524 1.00 0.00 N ATOM 396 NH2 ARG A 24 2.031 15.799 6.954 1.00 0.00 N ATOM 0 H ARG A 24 5.644 15.684 0.614 1.00 0.00 H new ATOM 0 HA ARG A 24 8.253 15.518 1.660 1.00 0.00 H new ATOM 0 HB2 ARG A 24 7.237 16.419 3.675 1.00 0.00 H new ATOM 0 HB3 ARG A 24 6.405 17.145 2.314 1.00 0.00 H new ATOM 0 HG2 ARG A 24 4.508 15.578 2.597 1.00 0.00 H new ATOM 0 HG3 ARG A 24 5.348 14.757 3.897 1.00 0.00 H new ATOM 0 HD2 ARG A 24 5.370 17.233 4.956 1.00 0.00 H new ATOM 0 HD3 ARG A 24 3.983 17.437 3.905 1.00 0.00 H new ATOM 0 HE ARG A 24 4.024 15.057 5.705 1.00 0.00 H new ATOM 0 HH11 ARG A 24 2.484 18.098 4.750 1.00 0.00 H new ATOM 0 HH12 ARG A 24 1.203 17.942 5.956 1.00 0.00 H new ATOM 0 HH21 ARG A 24 2.439 14.924 7.284 1.00 0.00 H new ATOM 0 HH22 ARG A 24 1.177 16.156 7.381 1.00 0.00 H new ATOM 410 N GLU A 25 6.303 12.963 2.358 1.00 0.00 N ATOM 411 CA GLU A 25 6.186 11.627 2.952 1.00 0.00 C ATOM 412 C GLU A 25 7.053 10.637 2.163 1.00 0.00 C ATOM 413 O GLU A 25 7.780 9.838 2.745 1.00 0.00 O ATOM 414 CB GLU A 25 4.698 11.180 2.923 1.00 0.00 C ATOM 415 CG GLU A 25 3.694 12.182 3.523 1.00 0.00 C ATOM 416 CD GLU A 25 3.805 12.341 5.046 1.00 0.00 C ATOM 417 OE1 GLU A 25 4.652 13.120 5.521 1.00 0.00 O ATOM 418 OE2 GLU A 25 3.026 11.694 5.777 1.00 0.00 O ATOM 0 H GLU A 25 5.517 13.205 1.754 1.00 0.00 H new ATOM 0 HA GLU A 25 6.531 11.651 3.986 1.00 0.00 H new ATOM 0 HB2 GLU A 25 4.415 10.984 1.889 1.00 0.00 H new ATOM 0 HB3 GLU A 25 4.609 10.237 3.462 1.00 0.00 H new ATOM 0 HG2 GLU A 25 3.843 13.155 3.055 1.00 0.00 H new ATOM 0 HG3 GLU A 25 2.683 11.860 3.274 1.00 0.00 H new ATOM 425 N LEU A 26 6.967 10.736 0.821 1.00 0.00 N ATOM 426 CA LEU A 26 7.662 9.841 -0.117 1.00 0.00 C ATOM 427 C LEU A 26 9.186 10.021 0.025 1.00 0.00 C ATOM 428 O LEU A 26 9.880 9.115 0.518 1.00 0.00 O ATOM 429 CB LEU A 26 7.132 10.113 -1.573 1.00 0.00 C ATOM 430 CG LEU A 26 7.665 9.210 -2.756 1.00 0.00 C ATOM 431 CD1 LEU A 26 8.979 9.747 -3.366 1.00 0.00 C ATOM 432 CD2 LEU A 26 7.815 7.731 -2.321 1.00 0.00 C ATOM 0 H LEU A 26 6.405 11.449 0.356 1.00 0.00 H new ATOM 0 HA LEU A 26 7.453 8.796 0.111 1.00 0.00 H new ATOM 0 HB2 LEU A 26 6.046 10.023 -1.552 1.00 0.00 H new ATOM 0 HB3 LEU A 26 7.361 11.150 -1.820 1.00 0.00 H new ATOM 0 HG LEU A 26 6.910 9.255 -3.541 1.00 0.00 H new ATOM 0 HD11 LEU A 26 9.301 9.090 -4.174 1.00 0.00 H new ATOM 0 HD12 LEU A 26 8.814 10.750 -3.759 1.00 0.00 H new ATOM 0 HD13 LEU A 26 9.750 9.780 -2.597 1.00 0.00 H new ATOM 0 HD21 LEU A 26 8.183 7.141 -3.160 1.00 0.00 H new ATOM 0 HD22 LEU A 26 8.521 7.665 -1.493 1.00 0.00 H new ATOM 0 HD23 LEU A 26 6.846 7.345 -2.003 1.00 0.00 H new ATOM 444 N GLN A 27 9.676 11.223 -0.341 1.00 0.00 N ATOM 445 CA GLN A 27 11.112 11.561 -0.262 1.00 0.00 C ATOM 446 C GLN A 27 11.612 11.561 1.192 1.00 0.00 C ATOM 447 O GLN A 27 12.817 11.405 1.439 1.00 0.00 O ATOM 448 CB GLN A 27 11.425 12.935 -0.900 1.00 0.00 C ATOM 449 CG GLN A 27 11.024 13.091 -2.375 1.00 0.00 C ATOM 450 CD GLN A 27 11.765 14.253 -3.048 1.00 0.00 C ATOM 451 OE1 GLN A 27 11.341 15.407 -2.975 1.00 0.00 O ATOM 452 NE2 GLN A 27 12.864 13.953 -3.731 1.00 0.00 N ATOM 0 H GLN A 27 9.093 11.981 -0.697 1.00 0.00 H new ATOM 0 HA GLN A 27 11.634 10.787 -0.825 1.00 0.00 H new ATOM 0 HB2 GLN A 27 10.919 13.708 -0.321 1.00 0.00 H new ATOM 0 HB3 GLN A 27 12.495 13.121 -0.812 1.00 0.00 H new ATOM 0 HG2 GLN A 27 11.238 12.165 -2.909 1.00 0.00 H new ATOM 0 HG3 GLN A 27 9.949 13.257 -2.444 1.00 0.00 H new ATOM 0 HE21 GLN A 27 13.191 12.988 -3.773 1.00 0.00 H new ATOM 0 HE22 GLN A 27 13.381 14.688 -4.213 1.00 0.00 H new ATOM 461 N GLY A 28 10.668 11.748 2.131 1.00 0.00 N ATOM 462 CA GLY A 28 10.957 11.711 3.560 1.00 0.00 C ATOM 463 C GLY A 28 11.357 10.316 4.017 1.00 0.00 C ATOM 464 O GLY A 28 12.348 10.159 4.741 1.00 0.00 O ATOM 0 H GLY A 28 9.688 11.928 1.913 1.00 0.00 H new ATOM 0 HA2 GLY A 28 11.760 12.413 3.787 1.00 0.00 H new ATOM 0 HA3 GLY A 28 10.080 12.039 4.117 1.00 0.00 H new ATOM 468 N GLN A 29 10.611 9.292 3.548 1.00 0.00 N ATOM 469 CA GLN A 29 10.910 7.886 3.887 1.00 0.00 C ATOM 470 C GLN A 29 12.227 7.466 3.238 1.00 0.00 C ATOM 471 O GLN A 29 12.995 6.746 3.838 1.00 0.00 O ATOM 472 CB GLN A 29 9.786 6.913 3.456 1.00 0.00 C ATOM 473 CG GLN A 29 8.448 7.095 4.202 1.00 0.00 C ATOM 474 CD GLN A 29 7.458 5.945 3.984 1.00 0.00 C ATOM 475 OE1 GLN A 29 6.639 5.649 4.850 1.00 0.00 O ATOM 476 NE2 GLN A 29 7.515 5.277 2.840 1.00 0.00 N ATOM 0 H GLN A 29 9.803 9.413 2.938 1.00 0.00 H new ATOM 0 HA GLN A 29 10.987 7.830 4.973 1.00 0.00 H new ATOM 0 HB2 GLN A 29 9.609 7.036 2.387 1.00 0.00 H new ATOM 0 HB3 GLN A 29 10.133 5.891 3.606 1.00 0.00 H new ATOM 0 HG2 GLN A 29 8.648 7.193 5.269 1.00 0.00 H new ATOM 0 HG3 GLN A 29 7.985 8.027 3.877 1.00 0.00 H new ATOM 0 HE21 GLN A 29 8.202 5.536 2.132 1.00 0.00 H new ATOM 0 HE22 GLN A 29 6.872 4.504 2.668 1.00 0.00 H new ATOM 485 N ILE A 30 12.471 7.954 2.012 1.00 0.00 N ATOM 486 CA ILE A 30 13.726 7.712 1.274 1.00 0.00 C ATOM 487 C ILE A 30 14.948 8.251 2.070 1.00 0.00 C ATOM 488 O ILE A 30 15.987 7.584 2.173 1.00 0.00 O ATOM 489 CB ILE A 30 13.644 8.384 -0.146 1.00 0.00 C ATOM 490 CG1 ILE A 30 12.515 7.721 -1.009 1.00 0.00 C ATOM 491 CG2 ILE A 30 15.005 8.349 -0.875 1.00 0.00 C ATOM 492 CD1 ILE A 30 12.233 8.407 -2.336 1.00 0.00 C ATOM 0 H ILE A 30 11.803 8.530 1.500 1.00 0.00 H new ATOM 0 HA ILE A 30 13.859 6.637 1.149 1.00 0.00 H new ATOM 0 HB ILE A 30 13.387 9.434 -0.002 1.00 0.00 H new ATOM 0 HG12 ILE A 30 12.789 6.684 -1.204 1.00 0.00 H new ATOM 0 HG13 ILE A 30 11.595 7.702 -0.424 1.00 0.00 H new ATOM 0 HG21 ILE A 30 14.907 8.823 -1.852 1.00 0.00 H new ATOM 0 HG22 ILE A 30 15.748 8.885 -0.285 1.00 0.00 H new ATOM 0 HG23 ILE A 30 15.322 7.314 -1.004 1.00 0.00 H new ATOM 0 HD11 ILE A 30 11.438 7.875 -2.859 1.00 0.00 H new ATOM 0 HD12 ILE A 30 11.923 9.436 -2.155 1.00 0.00 H new ATOM 0 HD13 ILE A 30 13.136 8.402 -2.947 1.00 0.00 H new ATOM 504 N ALA A 31 14.782 9.451 2.660 1.00 0.00 N ATOM 505 CA ALA A 31 15.799 10.091 3.528 1.00 0.00 C ATOM 506 C ALA A 31 16.064 9.260 4.809 1.00 0.00 C ATOM 507 O ALA A 31 17.135 9.366 5.408 1.00 0.00 O ATOM 508 CB ALA A 31 15.365 11.529 3.872 1.00 0.00 C ATOM 0 H ALA A 31 13.935 10.009 2.549 1.00 0.00 H new ATOM 0 HA ALA A 31 16.740 10.132 2.980 1.00 0.00 H new ATOM 0 HB1 ALA A 31 16.117 11.993 4.510 1.00 0.00 H new ATOM 0 HB2 ALA A 31 15.261 12.107 2.954 1.00 0.00 H new ATOM 0 HB3 ALA A 31 14.409 11.505 4.396 1.00 0.00 H new ATOM 514 N ALA A 32 15.064 8.453 5.216 1.00 0.00 N ATOM 515 CA ALA A 32 15.156 7.558 6.390 1.00 0.00 C ATOM 516 C ALA A 32 15.714 6.161 6.001 1.00 0.00 C ATOM 517 O ALA A 32 16.414 5.522 6.797 1.00 0.00 O ATOM 518 CB ALA A 32 13.774 7.425 7.055 1.00 0.00 C ATOM 0 H ALA A 32 14.164 8.403 4.738 1.00 0.00 H new ATOM 0 HA ALA A 32 15.854 8.000 7.101 1.00 0.00 H new ATOM 0 HB1 ALA A 32 13.848 6.765 7.919 1.00 0.00 H new ATOM 0 HB2 ALA A 32 13.429 8.407 7.378 1.00 0.00 H new ATOM 0 HB3 ALA A 32 13.065 7.009 6.340 1.00 0.00 H new ATOM 524 N ILE A 33 15.400 5.702 4.767 1.00 0.00 N ATOM 525 CA ILE A 33 15.789 4.364 4.268 1.00 0.00 C ATOM 526 C ILE A 33 17.264 4.383 3.800 1.00 0.00 C ATOM 527 O ILE A 33 18.143 3.815 4.450 1.00 0.00 O ATOM 528 CB ILE A 33 14.841 3.893 3.076 1.00 0.00 C ATOM 529 CG1 ILE A 33 13.353 3.707 3.543 1.00 0.00 C ATOM 530 CG2 ILE A 33 15.362 2.603 2.391 1.00 0.00 C ATOM 531 CD1 ILE A 33 13.090 2.520 4.458 1.00 0.00 C ATOM 0 H ILE A 33 14.870 6.250 4.090 1.00 0.00 H new ATOM 0 HA ILE A 33 15.679 3.652 5.086 1.00 0.00 H new ATOM 0 HB ILE A 33 14.862 4.694 2.338 1.00 0.00 H new ATOM 0 HG12 ILE A 33 13.037 4.615 4.057 1.00 0.00 H new ATOM 0 HG13 ILE A 33 12.724 3.606 2.658 1.00 0.00 H new ATOM 0 HG21 ILE A 33 14.685 2.320 1.585 1.00 0.00 H new ATOM 0 HG22 ILE A 33 16.356 2.784 1.982 1.00 0.00 H new ATOM 0 HG23 ILE A 33 15.412 1.797 3.123 1.00 0.00 H new ATOM 0 HD11 ILE A 33 12.032 2.488 4.718 1.00 0.00 H new ATOM 0 HD12 ILE A 33 13.366 1.598 3.946 1.00 0.00 H new ATOM 0 HD13 ILE A 33 13.684 2.622 5.366 1.00 0.00 H new ATOM 543 N THR A 34 17.521 5.092 2.691 1.00 0.00 N ATOM 544 CA THR A 34 18.839 5.101 2.015 1.00 0.00 C ATOM 545 C THR A 34 19.667 6.347 2.405 1.00 0.00 C ATOM 546 O THR A 34 20.859 6.433 2.077 1.00 0.00 O ATOM 547 CB THR A 34 18.644 5.005 0.462 1.00 0.00 C ATOM 548 OG1 THR A 34 19.910 5.006 -0.233 1.00 0.00 O ATOM 549 CG2 THR A 34 17.746 6.128 -0.078 1.00 0.00 C ATOM 0 H THR A 34 16.824 5.678 2.232 1.00 0.00 H new ATOM 0 HA THR A 34 19.403 4.230 2.347 1.00 0.00 H new ATOM 0 HB THR A 34 18.145 4.054 0.273 1.00 0.00 H new ATOM 0 HG1 THR A 34 20.578 5.482 0.304 1.00 0.00 H new ATOM 0 HG21 THR A 34 17.639 6.021 -1.157 1.00 0.00 H new ATOM 0 HG22 THR A 34 16.764 6.066 0.392 1.00 0.00 H new ATOM 0 HG23 THR A 34 18.196 7.095 0.148 1.00 0.00 H new ATOM 557 N GLY A 35 19.025 7.301 3.106 1.00 0.00 N ATOM 558 CA GLY A 35 19.715 8.475 3.646 1.00 0.00 C ATOM 559 C GLY A 35 19.980 9.560 2.613 1.00 0.00 C ATOM 560 O GLY A 35 20.855 10.412 2.821 1.00 0.00 O ATOM 0 H GLY A 35 18.026 7.276 3.309 1.00 0.00 H new ATOM 0 HA2 GLY A 35 19.118 8.895 4.456 1.00 0.00 H new ATOM 0 HA3 GLY A 35 20.664 8.160 4.080 1.00 0.00 H new ATOM 564 N ILE A 36 19.240 9.536 1.483 1.00 0.00 N ATOM 565 CA ILE A 36 19.365 10.575 0.444 1.00 0.00 C ATOM 566 C ILE A 36 18.356 11.690 0.738 1.00 0.00 C ATOM 567 O ILE A 36 17.137 11.455 0.690 1.00 0.00 O ATOM 568 CB ILE A 36 19.138 10.031 -1.020 1.00 0.00 C ATOM 569 CG1 ILE A 36 19.969 8.731 -1.288 1.00 0.00 C ATOM 570 CG2 ILE A 36 19.468 11.129 -2.073 1.00 0.00 C ATOM 571 CD1 ILE A 36 21.460 8.835 -1.008 1.00 0.00 C ATOM 0 H ILE A 36 18.554 8.812 1.270 1.00 0.00 H new ATOM 0 HA ILE A 36 20.389 10.946 0.480 1.00 0.00 H new ATOM 0 HB ILE A 36 18.084 9.770 -1.115 1.00 0.00 H new ATOM 0 HG12 ILE A 36 19.558 7.926 -0.678 1.00 0.00 H new ATOM 0 HG13 ILE A 36 19.832 8.442 -2.330 1.00 0.00 H new ATOM 0 HG21 ILE A 36 19.305 10.733 -3.075 1.00 0.00 H new ATOM 0 HG22 ILE A 36 18.821 11.992 -1.914 1.00 0.00 H new ATOM 0 HG23 ILE A 36 20.510 11.432 -1.968 1.00 0.00 H new ATOM 0 HD11 ILE A 36 21.939 7.880 -1.227 1.00 0.00 H new ATOM 0 HD12 ILE A 36 21.895 9.612 -1.637 1.00 0.00 H new ATOM 0 HD13 ILE A 36 21.617 9.088 0.041 1.00 0.00 H new ATOM 583 N ALA A 37 18.883 12.890 1.055 1.00 0.00 N ATOM 584 CA ALA A 37 18.084 14.093 1.328 1.00 0.00 C ATOM 585 C ALA A 37 17.171 14.438 0.126 1.00 0.00 C ATOM 586 O ALA A 37 17.612 14.289 -1.018 1.00 0.00 O ATOM 587 CB ALA A 37 19.023 15.263 1.658 1.00 0.00 C ATOM 0 H ALA A 37 19.888 13.049 1.128 1.00 0.00 H new ATOM 0 HA ALA A 37 17.436 13.903 2.184 1.00 0.00 H new ATOM 0 HB1 ALA A 37 18.433 16.157 1.861 1.00 0.00 H new ATOM 0 HB2 ALA A 37 19.619 15.015 2.536 1.00 0.00 H new ATOM 0 HB3 ALA A 37 19.684 15.449 0.811 1.00 0.00 H new ATOM 593 N PRO A 38 15.895 14.905 0.377 1.00 0.00 N ATOM 594 CA PRO A 38 14.854 15.114 -0.679 1.00 0.00 C ATOM 595 C PRO A 38 15.305 16.010 -1.860 1.00 0.00 C ATOM 596 O PRO A 38 14.838 15.830 -2.991 1.00 0.00 O ATOM 597 CB PRO A 38 13.664 15.742 0.108 1.00 0.00 C ATOM 598 CG PRO A 38 14.261 16.237 1.392 1.00 0.00 C ATOM 599 CD PRO A 38 15.351 15.258 1.723 1.00 0.00 C ATOM 0 HA PRO A 38 14.606 14.177 -1.178 1.00 0.00 H new ATOM 0 HB2 PRO A 38 13.206 16.556 -0.454 1.00 0.00 H new ATOM 0 HB3 PRO A 38 12.883 15.005 0.295 1.00 0.00 H new ATOM 0 HG2 PRO A 38 14.659 17.245 1.278 1.00 0.00 H new ATOM 0 HG3 PRO A 38 13.513 16.277 2.184 1.00 0.00 H new ATOM 0 HD2 PRO A 38 16.113 15.702 2.364 1.00 0.00 H new ATOM 0 HD3 PRO A 38 14.965 14.383 2.246 1.00 0.00 H new ATOM 607 N GLY A 39 16.220 16.952 -1.589 1.00 0.00 N ATOM 608 CA GLY A 39 16.726 17.864 -2.616 1.00 0.00 C ATOM 609 C GLY A 39 17.785 17.240 -3.526 1.00 0.00 C ATOM 610 O GLY A 39 17.986 17.708 -4.650 1.00 0.00 O ATOM 0 H GLY A 39 16.623 17.100 -0.664 1.00 0.00 H new ATOM 0 HA2 GLY A 39 15.891 18.207 -3.227 1.00 0.00 H new ATOM 0 HA3 GLY A 39 17.149 18.744 -2.131 1.00 0.00 H new ATOM 614 N SER A 40 18.464 16.184 -3.037 1.00 0.00 N ATOM 615 CA SER A 40 19.555 15.500 -3.764 1.00 0.00 C ATOM 616 C SER A 40 19.028 14.290 -4.574 1.00 0.00 C ATOM 617 O SER A 40 19.801 13.595 -5.233 1.00 0.00 O ATOM 618 CB SER A 40 20.642 15.060 -2.750 1.00 0.00 C ATOM 619 OG SER A 40 21.154 16.174 -2.026 1.00 0.00 O ATOM 0 H SER A 40 18.271 15.778 -2.121 1.00 0.00 H new ATOM 0 HA SER A 40 19.990 16.195 -4.482 1.00 0.00 H new ATOM 0 HB2 SER A 40 20.221 14.334 -2.055 1.00 0.00 H new ATOM 0 HB3 SER A 40 21.455 14.562 -3.278 1.00 0.00 H new ATOM 0 HG SER A 40 21.836 15.867 -1.393 1.00 0.00 H new ATOM 625 N GLN A 41 17.702 14.069 -4.521 1.00 0.00 N ATOM 626 CA GLN A 41 17.014 12.979 -5.249 1.00 0.00 C ATOM 627 C GLN A 41 15.849 13.529 -6.076 1.00 0.00 C ATOM 628 O GLN A 41 15.433 14.685 -5.912 1.00 0.00 O ATOM 629 CB GLN A 41 16.523 11.878 -4.264 1.00 0.00 C ATOM 630 CG GLN A 41 15.932 12.413 -2.935 1.00 0.00 C ATOM 631 CD GLN A 41 14.791 11.594 -2.349 1.00 0.00 C ATOM 632 OE1 GLN A 41 14.010 10.982 -3.074 1.00 0.00 O ATOM 633 NE2 GLN A 41 14.673 11.599 -1.027 1.00 0.00 N ATOM 0 H GLN A 41 17.069 14.646 -3.967 1.00 0.00 H new ATOM 0 HA GLN A 41 17.730 12.524 -5.933 1.00 0.00 H new ATOM 0 HB2 GLN A 41 15.767 11.273 -4.764 1.00 0.00 H new ATOM 0 HB3 GLN A 41 17.359 11.217 -4.034 1.00 0.00 H new ATOM 0 HG2 GLN A 41 16.733 12.468 -2.198 1.00 0.00 H new ATOM 0 HG3 GLN A 41 15.579 13.431 -3.098 1.00 0.00 H new ATOM 0 HE21 GLN A 41 15.341 12.119 -0.457 1.00 0.00 H new ATOM 0 HE22 GLN A 41 13.915 11.083 -0.581 1.00 0.00 H new ATOM 642 N ARG A 42 15.313 12.654 -6.943 1.00 0.00 N ATOM 643 CA ARG A 42 14.340 13.020 -7.979 1.00 0.00 C ATOM 644 C ARG A 42 13.548 11.770 -8.428 1.00 0.00 C ATOM 645 O ARG A 42 14.043 10.639 -8.311 1.00 0.00 O ATOM 646 CB ARG A 42 15.114 13.673 -9.161 1.00 0.00 C ATOM 647 CG ARG A 42 14.263 14.138 -10.356 1.00 0.00 C ATOM 648 CD ARG A 42 15.077 14.952 -11.376 1.00 0.00 C ATOM 649 NE ARG A 42 16.256 14.212 -11.870 1.00 0.00 N ATOM 650 CZ ARG A 42 17.044 14.595 -12.884 1.00 0.00 C ATOM 651 NH1 ARG A 42 16.766 15.682 -13.594 1.00 0.00 N ATOM 652 NH2 ARG A 42 18.113 13.881 -13.175 1.00 0.00 N ATOM 0 H ARG A 42 15.548 11.661 -6.942 1.00 0.00 H new ATOM 0 HA ARG A 42 13.614 13.735 -7.594 1.00 0.00 H new ATOM 0 HB2 ARG A 42 15.664 14.532 -8.777 1.00 0.00 H new ATOM 0 HB3 ARG A 42 15.852 12.958 -9.524 1.00 0.00 H new ATOM 0 HG2 ARG A 42 13.831 13.268 -10.851 1.00 0.00 H new ATOM 0 HG3 ARG A 42 13.432 14.743 -9.993 1.00 0.00 H new ATOM 0 HD2 ARG A 42 14.438 15.218 -12.218 1.00 0.00 H new ATOM 0 HD3 ARG A 42 15.403 15.885 -10.916 1.00 0.00 H new ATOM 0 HE ARG A 42 16.490 13.337 -11.401 1.00 0.00 H new ATOM 0 HH11 ARG A 42 15.942 16.240 -13.371 1.00 0.00 H new ATOM 0 HH12 ARG A 42 17.377 15.959 -14.363 1.00 0.00 H new ATOM 0 HH21 ARG A 42 18.333 13.047 -12.631 1.00 0.00 H new ATOM 0 HH22 ARG A 42 18.720 14.163 -13.945 1.00 0.00 H new ATOM 666 N ILE A 43 12.314 11.991 -8.939 1.00 0.00 N ATOM 667 CA ILE A 43 11.405 10.907 -9.359 1.00 0.00 C ATOM 668 C ILE A 43 11.814 10.399 -10.744 1.00 0.00 C ATOM 669 O ILE A 43 11.569 11.040 -11.782 1.00 0.00 O ATOM 670 CB ILE A 43 9.887 11.348 -9.355 1.00 0.00 C ATOM 671 CG1 ILE A 43 9.452 11.813 -7.928 1.00 0.00 C ATOM 672 CG2 ILE A 43 8.956 10.215 -9.876 1.00 0.00 C ATOM 673 CD1 ILE A 43 9.734 10.824 -6.805 1.00 0.00 C ATOM 0 H ILE A 43 11.925 12.925 -9.070 1.00 0.00 H new ATOM 0 HA ILE A 43 11.496 10.102 -8.630 1.00 0.00 H new ATOM 0 HB ILE A 43 9.788 12.191 -10.039 1.00 0.00 H new ATOM 0 HG12 ILE A 43 9.959 12.750 -7.700 1.00 0.00 H new ATOM 0 HG13 ILE A 43 8.383 12.024 -7.943 1.00 0.00 H new ATOM 0 HG21 ILE A 43 7.921 10.557 -9.858 1.00 0.00 H new ATOM 0 HG22 ILE A 43 9.235 9.956 -10.897 1.00 0.00 H new ATOM 0 HG23 ILE A 43 9.059 9.337 -9.238 1.00 0.00 H new ATOM 0 HD11 ILE A 43 9.395 11.243 -5.858 1.00 0.00 H new ATOM 0 HD12 ILE A 43 9.205 9.891 -7.000 1.00 0.00 H new ATOM 0 HD13 ILE A 43 10.805 10.629 -6.752 1.00 0.00 H new ATOM 685 N LEU A 44 12.507 9.270 -10.704 1.00 0.00 N ATOM 686 CA LEU A 44 12.946 8.501 -11.861 1.00 0.00 C ATOM 687 C LEU A 44 12.348 7.102 -11.718 1.00 0.00 C ATOM 688 O LEU A 44 12.216 6.605 -10.599 1.00 0.00 O ATOM 689 CB LEU A 44 14.494 8.473 -11.877 1.00 0.00 C ATOM 690 CG LEU A 44 15.172 9.882 -11.862 1.00 0.00 C ATOM 691 CD1 LEU A 44 16.657 9.795 -11.472 1.00 0.00 C ATOM 692 CD2 LEU A 44 14.980 10.610 -13.214 1.00 0.00 C ATOM 0 H LEU A 44 12.792 8.845 -9.822 1.00 0.00 H new ATOM 0 HA LEU A 44 12.616 8.937 -12.804 1.00 0.00 H new ATOM 0 HB2 LEU A 44 14.843 7.908 -11.013 1.00 0.00 H new ATOM 0 HB3 LEU A 44 14.825 7.935 -12.765 1.00 0.00 H new ATOM 0 HG LEU A 44 14.675 10.476 -11.095 1.00 0.00 H new ATOM 0 HD11 LEU A 44 17.093 10.794 -11.473 1.00 0.00 H new ATOM 0 HD12 LEU A 44 16.747 9.361 -10.476 1.00 0.00 H new ATOM 0 HD13 LEU A 44 17.186 9.168 -12.190 1.00 0.00 H new ATOM 0 HD21 LEU A 44 15.462 11.587 -13.173 1.00 0.00 H new ATOM 0 HD22 LEU A 44 15.427 10.018 -14.013 1.00 0.00 H new ATOM 0 HD23 LEU A 44 13.916 10.739 -13.410 1.00 0.00 H new ATOM 704 N VAL A 45 11.971 6.482 -12.832 1.00 0.00 N ATOM 705 CA VAL A 45 11.232 5.198 -12.843 1.00 0.00 C ATOM 706 C VAL A 45 11.962 4.155 -13.709 1.00 0.00 C ATOM 707 O VAL A 45 12.870 4.504 -14.478 1.00 0.00 O ATOM 708 CB VAL A 45 9.735 5.401 -13.325 1.00 0.00 C ATOM 709 CG1 VAL A 45 8.836 5.954 -12.187 1.00 0.00 C ATOM 710 CG2 VAL A 45 9.669 6.335 -14.558 1.00 0.00 C ATOM 0 H VAL A 45 12.165 6.848 -13.764 1.00 0.00 H new ATOM 0 HA VAL A 45 11.198 4.821 -11.821 1.00 0.00 H new ATOM 0 HB VAL A 45 9.355 4.420 -13.609 1.00 0.00 H new ATOM 0 HG11 VAL A 45 7.818 6.080 -12.556 1.00 0.00 H new ATOM 0 HG12 VAL A 45 8.835 5.254 -11.351 1.00 0.00 H new ATOM 0 HG13 VAL A 45 9.222 6.917 -11.853 1.00 0.00 H new ATOM 0 HG21 VAL A 45 8.631 6.457 -14.867 1.00 0.00 H new ATOM 0 HG22 VAL A 45 10.087 7.308 -14.300 1.00 0.00 H new ATOM 0 HG23 VAL A 45 10.242 5.899 -15.376 1.00 0.00 H new ATOM 720 N GLY A 46 11.575 2.870 -13.536 1.00 0.00 N ATOM 721 CA GLY A 46 12.213 1.742 -14.223 1.00 0.00 C ATOM 722 C GLY A 46 12.029 1.789 -15.734 1.00 0.00 C ATOM 723 O GLY A 46 12.917 1.390 -16.492 1.00 0.00 O ATOM 0 H GLY A 46 10.813 2.595 -12.916 1.00 0.00 H new ATOM 0 HA2 GLY A 46 13.278 1.737 -13.992 1.00 0.00 H new ATOM 0 HA3 GLY A 46 11.800 0.809 -13.840 1.00 0.00 H new ATOM 727 N TYR A 47 10.842 2.260 -16.156 1.00 0.00 N ATOM 728 CA TYR A 47 10.567 2.633 -17.561 1.00 0.00 C ATOM 729 C TYR A 47 11.113 4.071 -17.826 1.00 0.00 C ATOM 730 O TYR A 47 11.285 4.812 -16.863 1.00 0.00 O ATOM 731 CB TYR A 47 9.035 2.509 -17.863 1.00 0.00 C ATOM 732 CG TYR A 47 8.091 3.322 -16.947 1.00 0.00 C ATOM 733 CD1 TYR A 47 7.596 2.787 -15.749 1.00 0.00 C ATOM 734 CD2 TYR A 47 7.681 4.615 -17.290 1.00 0.00 C ATOM 735 CE1 TYR A 47 6.749 3.508 -14.929 1.00 0.00 C ATOM 736 CE2 TYR A 47 6.830 5.338 -16.471 1.00 0.00 C ATOM 737 CZ TYR A 47 6.368 4.780 -15.293 1.00 0.00 C ATOM 738 OH TYR A 47 5.529 5.504 -14.468 1.00 0.00 O ATOM 0 H TYR A 47 10.044 2.394 -15.535 1.00 0.00 H new ATOM 0 HA TYR A 47 11.079 1.951 -18.240 1.00 0.00 H new ATOM 0 HB2 TYR A 47 8.863 2.819 -18.894 1.00 0.00 H new ATOM 0 HB3 TYR A 47 8.756 1.457 -17.795 1.00 0.00 H new ATOM 0 HD1 TYR A 47 7.884 1.787 -15.460 1.00 0.00 H new ATOM 0 HD2 TYR A 47 8.034 5.057 -18.210 1.00 0.00 H new ATOM 0 HE1 TYR A 47 6.388 3.076 -14.007 1.00 0.00 H new ATOM 0 HE2 TYR A 47 6.528 6.336 -16.752 1.00 0.00 H new ATOM 0 HH TYR A 47 5.356 6.382 -14.867 1.00 0.00 H new ATOM 748 N PRO A 48 11.433 4.466 -19.115 1.00 0.00 N ATOM 749 CA PRO A 48 12.011 5.803 -19.468 1.00 0.00 C ATOM 750 C PRO A 48 11.344 7.017 -18.728 1.00 0.00 C ATOM 751 O PRO A 48 10.187 7.348 -19.006 1.00 0.00 O ATOM 752 CB PRO A 48 11.817 5.886 -21.020 1.00 0.00 C ATOM 753 CG PRO A 48 11.012 4.668 -21.398 1.00 0.00 C ATOM 754 CD PRO A 48 11.303 3.635 -20.336 1.00 0.00 C ATOM 0 HA PRO A 48 13.051 5.877 -19.152 1.00 0.00 H new ATOM 0 HB2 PRO A 48 11.296 6.802 -21.301 1.00 0.00 H new ATOM 0 HB3 PRO A 48 12.778 5.895 -21.534 1.00 0.00 H new ATOM 0 HG2 PRO A 48 9.948 4.900 -21.437 1.00 0.00 H new ATOM 0 HG3 PRO A 48 11.295 4.304 -22.386 1.00 0.00 H new ATOM 0 HD2 PRO A 48 10.498 2.905 -20.247 1.00 0.00 H new ATOM 0 HD3 PRO A 48 12.216 3.079 -20.549 1.00 0.00 H new ATOM 762 N PRO A 49 12.062 7.663 -17.742 1.00 0.00 N ATOM 763 CA PRO A 49 11.543 8.840 -17.004 1.00 0.00 C ATOM 764 C PRO A 49 11.812 10.173 -17.744 1.00 0.00 C ATOM 765 O PRO A 49 12.758 10.289 -18.528 1.00 0.00 O ATOM 766 CB PRO A 49 12.334 8.767 -15.678 1.00 0.00 C ATOM 767 CG PRO A 49 13.673 8.213 -16.072 1.00 0.00 C ATOM 768 CD PRO A 49 13.418 7.272 -17.244 1.00 0.00 C ATOM 0 HA PRO A 49 10.460 8.819 -16.881 1.00 0.00 H new ATOM 0 HB2 PRO A 49 12.431 9.751 -15.218 1.00 0.00 H new ATOM 0 HB3 PRO A 49 11.836 8.124 -14.953 1.00 0.00 H new ATOM 0 HG2 PRO A 49 14.356 9.013 -16.357 1.00 0.00 H new ATOM 0 HG3 PRO A 49 14.134 7.681 -15.240 1.00 0.00 H new ATOM 0 HD2 PRO A 49 14.175 7.388 -18.019 1.00 0.00 H new ATOM 0 HD3 PRO A 49 13.441 6.229 -16.929 1.00 0.00 H new ATOM 776 N GLU A 50 10.980 11.182 -17.461 1.00 0.00 N ATOM 777 CA GLU A 50 11.135 12.539 -18.032 1.00 0.00 C ATOM 778 C GLU A 50 12.030 13.412 -17.128 1.00 0.00 C ATOM 779 O GLU A 50 12.173 14.613 -17.393 1.00 0.00 O ATOM 780 CB GLU A 50 9.745 13.229 -18.223 1.00 0.00 C ATOM 781 CG GLU A 50 8.737 12.480 -19.136 1.00 0.00 C ATOM 782 CD GLU A 50 8.213 11.152 -18.553 1.00 0.00 C ATOM 783 OE1 GLU A 50 7.749 11.150 -17.387 1.00 0.00 O ATOM 784 OE2 GLU A 50 8.271 10.109 -19.241 1.00 0.00 O ATOM 0 H GLU A 50 10.181 11.089 -16.833 1.00 0.00 H new ATOM 0 HA GLU A 50 11.610 12.435 -19.008 1.00 0.00 H new ATOM 0 HB2 GLU A 50 9.289 13.361 -17.242 1.00 0.00 H new ATOM 0 HB3 GLU A 50 9.909 14.225 -18.635 1.00 0.00 H new ATOM 0 HG2 GLU A 50 7.889 13.135 -19.334 1.00 0.00 H new ATOM 0 HG3 GLU A 50 9.215 12.278 -20.095 1.00 0.00 H new ATOM 791 N CYS A 51 12.630 12.787 -16.078 1.00 0.00 N ATOM 792 CA CYS A 51 13.458 13.473 -15.063 1.00 0.00 C ATOM 793 C CYS A 51 12.642 14.593 -14.380 1.00 0.00 C ATOM 794 O CYS A 51 13.010 15.771 -14.402 1.00 0.00 O ATOM 795 CB CYS A 51 14.780 13.967 -15.690 1.00 0.00 C ATOM 796 SG CYS A 51 15.798 12.635 -16.378 1.00 0.00 S ATOM 0 H CYS A 51 12.548 11.783 -15.917 1.00 0.00 H new ATOM 0 HA CYS A 51 13.738 12.771 -14.277 1.00 0.00 H new ATOM 0 HB2 CYS A 51 14.553 14.684 -16.479 1.00 0.00 H new ATOM 0 HB3 CYS A 51 15.356 14.499 -14.932 1.00 0.00 H new ATOM 0 HG CYS A 51 16.885 13.137 -16.885 1.00 0.00 H new ATOM 802 N LEU A 52 11.530 14.154 -13.768 1.00 0.00 N ATOM 803 CA LEU A 52 10.434 15.019 -13.276 1.00 0.00 C ATOM 804 C LEU A 52 10.884 16.028 -12.201 1.00 0.00 C ATOM 805 O LEU A 52 11.732 15.718 -11.369 1.00 0.00 O ATOM 806 CB LEU A 52 9.314 14.104 -12.728 1.00 0.00 C ATOM 807 CG LEU A 52 8.733 13.083 -13.762 1.00 0.00 C ATOM 808 CD1 LEU A 52 7.802 12.066 -13.086 1.00 0.00 C ATOM 809 CD2 LEU A 52 8.018 13.809 -14.930 1.00 0.00 C ATOM 0 H LEU A 52 11.360 13.163 -13.595 1.00 0.00 H new ATOM 0 HA LEU A 52 10.077 15.623 -14.110 1.00 0.00 H new ATOM 0 HB2 LEU A 52 9.702 13.551 -11.872 1.00 0.00 H new ATOM 0 HB3 LEU A 52 8.501 14.730 -12.361 1.00 0.00 H new ATOM 0 HG LEU A 52 9.573 12.530 -14.181 1.00 0.00 H new ATOM 0 HD11 LEU A 52 7.417 11.373 -13.833 1.00 0.00 H new ATOM 0 HD12 LEU A 52 8.357 11.512 -12.329 1.00 0.00 H new ATOM 0 HD13 LEU A 52 6.971 12.591 -12.615 1.00 0.00 H new ATOM 0 HD21 LEU A 52 7.626 13.072 -15.631 1.00 0.00 H new ATOM 0 HD22 LEU A 52 7.197 14.409 -14.537 1.00 0.00 H new ATOM 0 HD23 LEU A 52 8.728 14.457 -15.444 1.00 0.00 H new ATOM 821 N ASP A 53 10.286 17.232 -12.233 1.00 0.00 N ATOM 822 CA ASP A 53 10.578 18.305 -11.264 1.00 0.00 C ATOM 823 C ASP A 53 9.624 18.191 -10.061 1.00 0.00 C ATOM 824 O ASP A 53 8.432 17.885 -10.218 1.00 0.00 O ATOM 825 CB ASP A 53 10.461 19.704 -11.938 1.00 0.00 C ATOM 826 CG ASP A 53 9.032 20.054 -12.389 1.00 0.00 C ATOM 827 OD1 ASP A 53 8.555 19.456 -13.377 1.00 0.00 O ATOM 828 OD2 ASP A 53 8.372 20.897 -11.745 1.00 0.00 O ATOM 0 H ASP A 53 9.587 17.489 -12.930 1.00 0.00 H new ATOM 0 HA ASP A 53 11.603 18.194 -10.910 1.00 0.00 H new ATOM 0 HB2 ASP A 53 10.809 20.465 -11.239 1.00 0.00 H new ATOM 0 HB3 ASP A 53 11.124 19.738 -12.802 1.00 0.00 H new ATOM 833 N LEU A 54 10.167 18.397 -8.860 1.00 0.00 N ATOM 834 CA LEU A 54 9.425 18.308 -7.598 1.00 0.00 C ATOM 835 C LEU A 54 9.392 19.698 -6.946 1.00 0.00 C ATOM 836 O LEU A 54 10.273 20.049 -6.151 1.00 0.00 O ATOM 837 CB LEU A 54 10.057 17.222 -6.672 1.00 0.00 C ATOM 838 CG LEU A 54 9.823 15.721 -7.102 1.00 0.00 C ATOM 839 CD1 LEU A 54 10.752 15.295 -8.263 1.00 0.00 C ATOM 840 CD2 LEU A 54 9.975 14.775 -5.899 1.00 0.00 C ATOM 0 H LEU A 54 11.151 18.634 -8.733 1.00 0.00 H new ATOM 0 HA LEU A 54 8.397 17.996 -7.780 1.00 0.00 H new ATOM 0 HB2 LEU A 54 11.131 17.400 -6.618 1.00 0.00 H new ATOM 0 HB3 LEU A 54 9.661 17.356 -5.666 1.00 0.00 H new ATOM 0 HG LEU A 54 8.799 15.648 -7.469 1.00 0.00 H new ATOM 0 HD11 LEU A 54 10.555 14.255 -8.524 1.00 0.00 H new ATOM 0 HD12 LEU A 54 10.565 15.929 -9.130 1.00 0.00 H new ATOM 0 HD13 LEU A 54 11.792 15.400 -7.954 1.00 0.00 H new ATOM 0 HD21 LEU A 54 9.809 13.747 -6.221 1.00 0.00 H new ATOM 0 HD22 LEU A 54 10.980 14.869 -5.487 1.00 0.00 H new ATOM 0 HD23 LEU A 54 9.244 15.038 -5.135 1.00 0.00 H new ATOM 852 N SER A 55 8.381 20.504 -7.330 1.00 0.00 N ATOM 853 CA SER A 55 8.290 21.937 -6.974 1.00 0.00 C ATOM 854 C SER A 55 7.139 22.233 -5.983 1.00 0.00 C ATOM 855 O SER A 55 6.718 23.391 -5.851 1.00 0.00 O ATOM 856 CB SER A 55 8.121 22.751 -8.281 1.00 0.00 C ATOM 857 OG SER A 55 9.169 22.478 -9.195 1.00 0.00 O ATOM 0 H SER A 55 7.600 20.178 -7.899 1.00 0.00 H new ATOM 0 HA SER A 55 9.206 22.229 -6.460 1.00 0.00 H new ATOM 0 HB2 SER A 55 7.162 22.510 -8.741 1.00 0.00 H new ATOM 0 HB3 SER A 55 8.105 23.816 -8.050 1.00 0.00 H new ATOM 0 HG SER A 55 8.812 21.991 -9.967 1.00 0.00 H new ATOM 863 N ASP A 56 6.650 21.199 -5.262 1.00 0.00 N ATOM 864 CA ASP A 56 5.553 21.345 -4.266 1.00 0.00 C ATOM 865 C ASP A 56 5.844 20.430 -3.042 1.00 0.00 C ATOM 866 O ASP A 56 6.857 19.741 -3.029 1.00 0.00 O ATOM 867 CB ASP A 56 4.193 21.018 -4.958 1.00 0.00 C ATOM 868 CG ASP A 56 2.952 21.500 -4.174 1.00 0.00 C ATOM 869 OD1 ASP A 56 2.518 22.650 -4.379 1.00 0.00 O ATOM 870 OD2 ASP A 56 2.407 20.735 -3.346 1.00 0.00 O ATOM 0 H ASP A 56 6.999 20.244 -5.350 1.00 0.00 H new ATOM 0 HA ASP A 56 5.493 22.368 -3.894 1.00 0.00 H new ATOM 0 HB2 ASP A 56 4.183 21.474 -5.948 1.00 0.00 H new ATOM 0 HB3 ASP A 56 4.122 19.940 -5.103 1.00 0.00 H new ATOM 875 N ARG A 57 4.983 20.456 -2.004 1.00 0.00 N ATOM 876 CA ARG A 57 5.171 19.658 -0.759 1.00 0.00 C ATOM 877 C ARG A 57 3.985 18.698 -0.518 1.00 0.00 C ATOM 878 O ARG A 57 4.173 17.542 -0.106 1.00 0.00 O ATOM 879 CB ARG A 57 5.334 20.610 0.465 1.00 0.00 C ATOM 880 CG ARG A 57 4.163 21.607 0.658 1.00 0.00 C ATOM 881 CD ARG A 57 4.207 22.367 1.991 1.00 0.00 C ATOM 882 NE ARG A 57 3.044 23.273 2.137 1.00 0.00 N ATOM 883 CZ ARG A 57 1.845 22.936 2.655 1.00 0.00 C ATOM 884 NH1 ARG A 57 1.584 21.694 3.050 1.00 0.00 N ATOM 885 NH2 ARG A 57 0.895 23.849 2.754 1.00 0.00 N ATOM 0 H ARG A 57 4.138 21.027 -1.998 1.00 0.00 H new ATOM 0 HA ARG A 57 6.073 19.059 -0.880 1.00 0.00 H new ATOM 0 HB2 ARG A 57 5.436 20.008 1.368 1.00 0.00 H new ATOM 0 HB3 ARG A 57 6.260 21.173 0.352 1.00 0.00 H new ATOM 0 HG2 ARG A 57 4.173 22.327 -0.160 1.00 0.00 H new ATOM 0 HG3 ARG A 57 3.221 21.063 0.592 1.00 0.00 H new ATOM 0 HD2 ARG A 57 4.221 21.655 2.817 1.00 0.00 H new ATOM 0 HD3 ARG A 57 5.129 22.944 2.052 1.00 0.00 H new ATOM 0 HE ARG A 57 3.160 24.235 1.818 1.00 0.00 H new ATOM 0 HH11 ARG A 57 2.298 20.971 2.965 1.00 0.00 H new ATOM 0 HH12 ARG A 57 0.669 21.464 3.439 1.00 0.00 H new ATOM 0 HH21 ARG A 57 1.070 24.803 2.439 1.00 0.00 H new ATOM 0 HH22 ARG A 57 -0.013 23.599 3.145 1.00 0.00 H new ATOM 899 N ASP A 58 2.770 19.206 -0.785 1.00 0.00 N ATOM 900 CA ASP A 58 1.500 18.513 -0.479 1.00 0.00 C ATOM 901 C ASP A 58 1.088 17.603 -1.657 1.00 0.00 C ATOM 902 O ASP A 58 0.237 16.716 -1.505 1.00 0.00 O ATOM 903 CB ASP A 58 0.405 19.583 -0.178 1.00 0.00 C ATOM 904 CG ASP A 58 -0.867 18.999 0.478 1.00 0.00 C ATOM 905 OD1 ASP A 58 -0.920 18.919 1.725 1.00 0.00 O ATOM 906 OD2 ASP A 58 -1.821 18.621 -0.242 1.00 0.00 O ATOM 0 H ASP A 58 2.637 20.117 -1.223 1.00 0.00 H new ATOM 0 HA ASP A 58 1.624 17.876 0.397 1.00 0.00 H new ATOM 0 HB2 ASP A 58 0.825 20.346 0.478 1.00 0.00 H new ATOM 0 HB3 ASP A 58 0.129 20.080 -1.108 1.00 0.00 H new ATOM 911 N ILE A 59 1.717 17.845 -2.822 1.00 0.00 N ATOM 912 CA ILE A 59 1.473 17.096 -4.068 1.00 0.00 C ATOM 913 C ILE A 59 1.765 15.589 -3.866 1.00 0.00 C ATOM 914 O ILE A 59 2.702 15.219 -3.154 1.00 0.00 O ATOM 915 CB ILE A 59 2.328 17.710 -5.237 1.00 0.00 C ATOM 916 CG1 ILE A 59 1.829 17.254 -6.646 1.00 0.00 C ATOM 917 CG2 ILE A 59 3.836 17.404 -5.067 1.00 0.00 C ATOM 918 CD1 ILE A 59 2.490 18.002 -7.801 1.00 0.00 C ATOM 0 H ILE A 59 2.419 18.577 -2.925 1.00 0.00 H new ATOM 0 HA ILE A 59 0.421 17.184 -4.341 1.00 0.00 H new ATOM 0 HB ILE A 59 2.191 18.790 -5.177 1.00 0.00 H new ATOM 0 HG12 ILE A 59 2.017 16.187 -6.761 1.00 0.00 H new ATOM 0 HG13 ILE A 59 0.750 17.395 -6.703 1.00 0.00 H new ATOM 0 HG21 ILE A 59 4.392 17.845 -5.894 1.00 0.00 H new ATOM 0 HG22 ILE A 59 4.189 17.826 -4.126 1.00 0.00 H new ATOM 0 HG23 ILE A 59 3.990 16.325 -5.061 1.00 0.00 H new ATOM 0 HD11 ILE A 59 2.095 17.633 -8.747 1.00 0.00 H new ATOM 0 HD12 ILE A 59 2.280 19.068 -7.712 1.00 0.00 H new ATOM 0 HD13 ILE A 59 3.567 17.840 -7.770 1.00 0.00 H new ATOM 930 N THR A 60 0.937 14.736 -4.475 1.00 0.00 N ATOM 931 CA THR A 60 0.889 13.301 -4.155 1.00 0.00 C ATOM 932 C THR A 60 1.412 12.428 -5.311 1.00 0.00 C ATOM 933 O THR A 60 1.808 12.933 -6.372 1.00 0.00 O ATOM 934 CB THR A 60 -0.579 12.896 -3.803 1.00 0.00 C ATOM 935 OG1 THR A 60 -1.447 13.247 -4.889 1.00 0.00 O ATOM 936 CG2 THR A 60 -1.069 13.581 -2.514 1.00 0.00 C ATOM 0 H THR A 60 0.281 15.017 -5.203 1.00 0.00 H new ATOM 0 HA THR A 60 1.542 13.129 -3.299 1.00 0.00 H new ATOM 0 HB THR A 60 -0.597 11.819 -3.638 1.00 0.00 H new ATOM 0 HG1 THR A 60 -2.367 12.991 -4.668 1.00 0.00 H new ATOM 0 HG21 THR A 60 -2.093 13.273 -2.305 1.00 0.00 H new ATOM 0 HG22 THR A 60 -0.426 13.293 -1.682 1.00 0.00 H new ATOM 0 HG23 THR A 60 -1.034 14.663 -2.641 1.00 0.00 H new ATOM 944 N LEU A 61 1.371 11.098 -5.084 1.00 0.00 N ATOM 945 CA LEU A 61 1.782 10.084 -6.077 1.00 0.00 C ATOM 946 C LEU A 61 0.703 9.910 -7.181 1.00 0.00 C ATOM 947 O LEU A 61 0.897 9.143 -8.131 1.00 0.00 O ATOM 948 CB LEU A 61 2.077 8.726 -5.382 1.00 0.00 C ATOM 949 CG LEU A 61 2.974 8.787 -4.102 1.00 0.00 C ATOM 950 CD1 LEU A 61 3.289 7.375 -3.562 1.00 0.00 C ATOM 951 CD2 LEU A 61 4.262 9.609 -4.342 1.00 0.00 C ATOM 0 H LEU A 61 1.050 10.696 -4.203 1.00 0.00 H new ATOM 0 HA LEU A 61 2.697 10.434 -6.555 1.00 0.00 H new ATOM 0 HB2 LEU A 61 1.127 8.265 -5.113 1.00 0.00 H new ATOM 0 HB3 LEU A 61 2.557 8.068 -6.106 1.00 0.00 H new ATOM 0 HG LEU A 61 2.403 9.307 -3.333 1.00 0.00 H new ATOM 0 HD11 LEU A 61 3.914 7.457 -2.673 1.00 0.00 H new ATOM 0 HD12 LEU A 61 2.359 6.867 -3.307 1.00 0.00 H new ATOM 0 HD13 LEU A 61 3.817 6.803 -4.325 1.00 0.00 H new ATOM 0 HD21 LEU A 61 4.857 9.627 -3.429 1.00 0.00 H new ATOM 0 HD22 LEU A 61 4.841 9.152 -5.144 1.00 0.00 H new ATOM 0 HD23 LEU A 61 3.996 10.628 -4.622 1.00 0.00 H new ATOM 963 N GLY A 62 -0.446 10.607 -7.019 1.00 0.00 N ATOM 964 CA GLY A 62 -1.440 10.748 -8.093 1.00 0.00 C ATOM 965 C GLY A 62 -0.928 11.630 -9.237 1.00 0.00 C ATOM 966 O GLY A 62 -1.408 11.528 -10.370 1.00 0.00 O ATOM 0 H GLY A 62 -0.702 11.079 -6.151 1.00 0.00 H new ATOM 0 HA2 GLY A 62 -1.696 9.762 -8.482 1.00 0.00 H new ATOM 0 HA3 GLY A 62 -2.355 11.178 -7.686 1.00 0.00 H new ATOM 970 N ASP A 63 0.058 12.502 -8.919 1.00 0.00 N ATOM 971 CA ASP A 63 0.735 13.360 -9.910 1.00 0.00 C ATOM 972 C ASP A 63 2.064 12.713 -10.338 1.00 0.00 C ATOM 973 O ASP A 63 2.280 12.439 -11.525 1.00 0.00 O ATOM 974 CB ASP A 63 0.987 14.770 -9.327 1.00 0.00 C ATOM 975 CG ASP A 63 1.662 15.727 -10.338 1.00 0.00 C ATOM 976 OD1 ASP A 63 2.913 15.774 -10.408 1.00 0.00 O ATOM 977 OD2 ASP A 63 0.943 16.425 -11.075 1.00 0.00 O ATOM 0 H ASP A 63 0.404 12.627 -7.968 1.00 0.00 H new ATOM 0 HA ASP A 63 0.091 13.462 -10.784 1.00 0.00 H new ATOM 0 HB2 ASP A 63 0.038 15.200 -9.005 1.00 0.00 H new ATOM 0 HB3 ASP A 63 1.615 14.684 -8.440 1.00 0.00 H new ATOM 982 N LEU A 64 2.957 12.485 -9.351 1.00 0.00 N ATOM 983 CA LEU A 64 4.261 11.847 -9.585 1.00 0.00 C ATOM 984 C LEU A 64 4.010 10.328 -9.733 1.00 0.00 C ATOM 985 O LEU A 64 3.534 9.732 -8.777 1.00 0.00 O ATOM 986 CB LEU A 64 5.267 12.134 -8.419 1.00 0.00 C ATOM 987 CG LEU A 64 5.740 13.619 -8.204 1.00 0.00 C ATOM 988 CD1 LEU A 64 6.257 14.252 -9.520 1.00 0.00 C ATOM 989 CD2 LEU A 64 4.650 14.483 -7.532 1.00 0.00 C ATOM 0 H LEU A 64 2.791 12.738 -8.377 1.00 0.00 H new ATOM 0 HA LEU A 64 4.716 12.255 -10.488 1.00 0.00 H new ATOM 0 HB2 LEU A 64 4.810 11.791 -7.491 1.00 0.00 H new ATOM 0 HB3 LEU A 64 6.153 11.521 -8.583 1.00 0.00 H new ATOM 0 HG LEU A 64 6.583 13.589 -7.513 1.00 0.00 H new ATOM 0 HD11 LEU A 64 6.574 15.277 -9.330 1.00 0.00 H new ATOM 0 HD12 LEU A 64 7.102 13.674 -9.894 1.00 0.00 H new ATOM 0 HD13 LEU A 64 5.459 14.251 -10.262 1.00 0.00 H new ATOM 0 HD21 LEU A 64 5.020 15.500 -7.403 1.00 0.00 H new ATOM 0 HD22 LEU A 64 3.759 14.498 -8.160 1.00 0.00 H new ATOM 0 HD23 LEU A 64 4.401 14.062 -6.558 1.00 0.00 H new ATOM 1001 N PRO A 65 4.281 9.690 -10.925 1.00 0.00 N ATOM 1002 CA PRO A 65 3.930 8.271 -11.199 1.00 0.00 C ATOM 1003 C PRO A 65 4.857 7.248 -10.490 1.00 0.00 C ATOM 1004 O PRO A 65 5.612 6.498 -11.125 1.00 0.00 O ATOM 1005 CB PRO A 65 4.014 8.187 -12.742 1.00 0.00 C ATOM 1006 CG PRO A 65 5.080 9.169 -13.095 1.00 0.00 C ATOM 1007 CD PRO A 65 4.927 10.312 -12.103 1.00 0.00 C ATOM 0 HA PRO A 65 2.949 8.005 -10.806 1.00 0.00 H new ATOM 0 HB2 PRO A 65 4.271 7.181 -13.074 1.00 0.00 H new ATOM 0 HB3 PRO A 65 3.063 8.444 -13.209 1.00 0.00 H new ATOM 0 HG2 PRO A 65 6.069 8.717 -13.023 1.00 0.00 H new ATOM 0 HG3 PRO A 65 4.965 9.521 -14.120 1.00 0.00 H new ATOM 0 HD2 PRO A 65 5.893 10.746 -11.844 1.00 0.00 H new ATOM 0 HD3 PRO A 65 4.316 11.116 -12.514 1.00 0.00 H new ATOM 1015 N ILE A 66 4.788 7.260 -9.152 1.00 0.00 N ATOM 1016 CA ILE A 66 5.283 6.194 -8.293 1.00 0.00 C ATOM 1017 C ILE A 66 4.216 5.110 -8.366 1.00 0.00 C ATOM 1018 O ILE A 66 3.026 5.408 -8.182 1.00 0.00 O ATOM 1019 CB ILE A 66 5.479 6.661 -6.790 1.00 0.00 C ATOM 1020 CG1 ILE A 66 6.695 7.635 -6.609 1.00 0.00 C ATOM 1021 CG2 ILE A 66 5.619 5.454 -5.819 1.00 0.00 C ATOM 1022 CD1 ILE A 66 6.562 8.978 -7.291 1.00 0.00 C ATOM 0 H ILE A 66 4.375 8.034 -8.631 1.00 0.00 H new ATOM 0 HA ILE A 66 6.265 5.857 -8.625 1.00 0.00 H new ATOM 0 HB ILE A 66 4.573 7.210 -6.536 1.00 0.00 H new ATOM 0 HG12 ILE A 66 6.848 7.802 -5.543 1.00 0.00 H new ATOM 0 HG13 ILE A 66 7.591 7.143 -6.986 1.00 0.00 H new ATOM 0 HG21 ILE A 66 5.751 5.820 -4.801 1.00 0.00 H new ATOM 0 HG22 ILE A 66 4.720 4.840 -5.870 1.00 0.00 H new ATOM 0 HG23 ILE A 66 6.484 4.855 -6.105 1.00 0.00 H new ATOM 0 HD11 ILE A 66 7.456 9.572 -7.102 1.00 0.00 H new ATOM 0 HD12 ILE A 66 6.444 8.831 -8.365 1.00 0.00 H new ATOM 0 HD13 ILE A 66 5.690 9.501 -6.899 1.00 0.00 H new ATOM 1034 N GLN A 67 4.612 3.886 -8.700 1.00 0.00 N ATOM 1035 CA GLN A 67 3.666 2.776 -8.877 1.00 0.00 C ATOM 1036 C GLN A 67 3.958 1.683 -7.848 1.00 0.00 C ATOM 1037 O GLN A 67 5.087 1.580 -7.338 1.00 0.00 O ATOM 1038 CB GLN A 67 3.731 2.255 -10.338 1.00 0.00 C ATOM 1039 CG GLN A 67 3.551 3.367 -11.409 1.00 0.00 C ATOM 1040 CD GLN A 67 3.500 2.852 -12.854 1.00 0.00 C ATOM 1041 OE1 GLN A 67 2.808 3.414 -13.703 1.00 0.00 O ATOM 1042 NE2 GLN A 67 4.267 1.817 -13.166 1.00 0.00 N ATOM 0 H GLN A 67 5.587 3.631 -8.856 1.00 0.00 H new ATOM 0 HA GLN A 67 2.646 3.119 -8.705 1.00 0.00 H new ATOM 0 HB2 GLN A 67 4.691 1.763 -10.496 1.00 0.00 H new ATOM 0 HB3 GLN A 67 2.958 1.499 -10.479 1.00 0.00 H new ATOM 0 HG2 GLN A 67 2.631 3.913 -11.198 1.00 0.00 H new ATOM 0 HG3 GLN A 67 4.372 4.078 -11.318 1.00 0.00 H new ATOM 0 HE21 GLN A 67 4.833 1.366 -12.447 1.00 0.00 H new ATOM 0 HE22 GLN A 67 4.292 1.471 -14.125 1.00 0.00 H new ATOM 1051 N SER A 68 2.923 0.893 -7.523 1.00 0.00 N ATOM 1052 CA SER A 68 2.987 -0.125 -6.466 1.00 0.00 C ATOM 1053 C SER A 68 3.996 -1.240 -6.819 1.00 0.00 C ATOM 1054 O SER A 68 3.705 -2.116 -7.640 1.00 0.00 O ATOM 1055 CB SER A 68 1.572 -0.699 -6.215 1.00 0.00 C ATOM 1056 OG SER A 68 0.969 -1.140 -7.422 1.00 0.00 O ATOM 0 H SER A 68 2.016 0.943 -7.988 1.00 0.00 H new ATOM 0 HA SER A 68 3.343 0.342 -5.548 1.00 0.00 H new ATOM 0 HB2 SER A 68 1.635 -1.531 -5.513 1.00 0.00 H new ATOM 0 HB3 SER A 68 0.946 0.063 -5.751 1.00 0.00 H new ATOM 0 HG SER A 68 1.625 -1.640 -7.951 1.00 0.00 H new ATOM 1062 N GLY A 69 5.187 -1.180 -6.190 1.00 0.00 N ATOM 1063 CA GLY A 69 6.247 -2.180 -6.397 1.00 0.00 C ATOM 1064 C GLY A 69 7.118 -1.895 -7.611 1.00 0.00 C ATOM 1065 O GLY A 69 7.850 -2.775 -8.066 1.00 0.00 O ATOM 0 H GLY A 69 5.437 -0.443 -5.531 1.00 0.00 H new ATOM 0 HA2 GLY A 69 6.877 -2.220 -5.508 1.00 0.00 H new ATOM 0 HA3 GLY A 69 5.791 -3.164 -6.509 1.00 0.00 H new ATOM 1069 N ASP A 70 7.046 -0.652 -8.117 1.00 0.00 N ATOM 1070 CA ASP A 70 7.809 -0.209 -9.299 1.00 0.00 C ATOM 1071 C ASP A 70 9.246 0.126 -8.898 1.00 0.00 C ATOM 1072 O ASP A 70 9.539 0.363 -7.709 1.00 0.00 O ATOM 1073 CB ASP A 70 7.123 1.034 -9.936 1.00 0.00 C ATOM 1074 CG ASP A 70 7.577 1.346 -11.380 1.00 0.00 C ATOM 1075 OD1 ASP A 70 8.577 2.075 -11.584 1.00 0.00 O ATOM 1076 OD2 ASP A 70 6.930 0.846 -12.321 1.00 0.00 O ATOM 0 H ASP A 70 6.455 0.077 -7.717 1.00 0.00 H new ATOM 0 HA ASP A 70 7.830 -1.014 -10.033 1.00 0.00 H new ATOM 0 HB2 ASP A 70 6.044 0.879 -9.933 1.00 0.00 H new ATOM 0 HB3 ASP A 70 7.322 1.904 -9.310 1.00 0.00 H new ATOM 1081 N MET A 71 10.131 0.153 -9.896 1.00 0.00 N ATOM 1082 CA MET A 71 11.525 0.511 -9.702 1.00 0.00 C ATOM 1083 C MET A 71 11.667 2.042 -9.738 1.00 0.00 C ATOM 1084 O MET A 71 11.643 2.647 -10.804 1.00 0.00 O ATOM 1085 CB MET A 71 12.423 -0.157 -10.773 1.00 0.00 C ATOM 1086 CG MET A 71 13.945 0.055 -10.597 1.00 0.00 C ATOM 1087 SD MET A 71 14.722 -0.996 -9.339 1.00 0.00 S ATOM 1088 CE MET A 71 14.250 -0.208 -7.804 1.00 0.00 C ATOM 0 H MET A 71 9.894 -0.074 -10.862 1.00 0.00 H new ATOM 0 HA MET A 71 11.855 0.147 -8.729 1.00 0.00 H new ATOM 0 HB2 MET A 71 12.221 -1.228 -10.773 1.00 0.00 H new ATOM 0 HB3 MET A 71 12.133 0.222 -11.753 1.00 0.00 H new ATOM 0 HG2 MET A 71 14.435 -0.126 -11.554 1.00 0.00 H new ATOM 0 HG3 MET A 71 14.124 1.099 -10.339 1.00 0.00 H new ATOM 0 HE1 MET A 71 15.128 -0.096 -7.168 1.00 0.00 H new ATOM 0 HE2 MET A 71 13.826 0.774 -8.014 1.00 0.00 H new ATOM 0 HE3 MET A 71 13.508 -0.822 -7.293 1.00 0.00 H new ATOM 1098 N LEU A 72 11.759 2.648 -8.557 1.00 0.00 N ATOM 1099 CA LEU A 72 11.956 4.102 -8.395 1.00 0.00 C ATOM 1100 C LEU A 72 13.444 4.362 -8.119 1.00 0.00 C ATOM 1101 O LEU A 72 13.979 3.914 -7.101 1.00 0.00 O ATOM 1102 CB LEU A 72 11.042 4.679 -7.257 1.00 0.00 C ATOM 1103 CG LEU A 72 9.607 5.157 -7.680 1.00 0.00 C ATOM 1104 CD1 LEU A 72 9.682 6.413 -8.579 1.00 0.00 C ATOM 1105 CD2 LEU A 72 8.800 4.034 -8.367 1.00 0.00 C ATOM 0 H LEU A 72 11.699 2.146 -7.671 1.00 0.00 H new ATOM 0 HA LEU A 72 11.665 4.618 -9.310 1.00 0.00 H new ATOM 0 HB2 LEU A 72 10.933 3.915 -6.487 1.00 0.00 H new ATOM 0 HB3 LEU A 72 11.560 5.521 -6.799 1.00 0.00 H new ATOM 0 HG LEU A 72 9.076 5.422 -6.766 1.00 0.00 H new ATOM 0 HD11 LEU A 72 8.674 6.722 -8.857 1.00 0.00 H new ATOM 0 HD12 LEU A 72 10.172 7.221 -8.036 1.00 0.00 H new ATOM 0 HD13 LEU A 72 10.252 6.183 -9.479 1.00 0.00 H new ATOM 0 HD21 LEU A 72 7.815 4.410 -8.642 1.00 0.00 H new ATOM 0 HD22 LEU A 72 9.326 3.704 -9.263 1.00 0.00 H new ATOM 0 HD23 LEU A 72 8.689 3.194 -7.681 1.00 0.00 H new ATOM 1117 N ILE A 73 14.107 5.078 -9.045 1.00 0.00 N ATOM 1118 CA ILE A 73 15.549 5.329 -8.993 1.00 0.00 C ATOM 1119 C ILE A 73 15.777 6.642 -8.244 1.00 0.00 C ATOM 1120 O ILE A 73 15.520 7.739 -8.761 1.00 0.00 O ATOM 1121 CB ILE A 73 16.230 5.365 -10.425 1.00 0.00 C ATOM 1122 CG1 ILE A 73 16.157 3.963 -11.139 1.00 0.00 C ATOM 1123 CG2 ILE A 73 17.709 5.851 -10.336 1.00 0.00 C ATOM 1124 CD1 ILE A 73 14.778 3.524 -11.600 1.00 0.00 C ATOM 0 H ILE A 73 13.649 5.499 -9.854 1.00 0.00 H new ATOM 0 HA ILE A 73 16.023 4.499 -8.469 1.00 0.00 H new ATOM 0 HB ILE A 73 15.668 6.079 -11.027 1.00 0.00 H new ATOM 0 HG12 ILE A 73 16.819 3.983 -12.005 1.00 0.00 H new ATOM 0 HG13 ILE A 73 16.548 3.209 -10.456 1.00 0.00 H new ATOM 0 HG21 ILE A 73 18.148 5.865 -11.334 1.00 0.00 H new ATOM 0 HG22 ILE A 73 17.737 6.855 -9.913 1.00 0.00 H new ATOM 0 HG23 ILE A 73 18.277 5.173 -9.699 1.00 0.00 H new ATOM 0 HD11 ILE A 73 14.848 2.546 -12.077 1.00 0.00 H new ATOM 0 HD12 ILE A 73 14.110 3.462 -10.741 1.00 0.00 H new ATOM 0 HD13 ILE A 73 14.385 4.248 -12.314 1.00 0.00 H new ATOM 1136 N VAL A 74 16.187 6.491 -6.990 1.00 0.00 N ATOM 1137 CA VAL A 74 16.627 7.585 -6.148 1.00 0.00 C ATOM 1138 C VAL A 74 18.091 7.884 -6.470 1.00 0.00 C ATOM 1139 O VAL A 74 18.981 7.077 -6.163 1.00 0.00 O ATOM 1140 CB VAL A 74 16.445 7.209 -4.637 1.00 0.00 C ATOM 1141 CG1 VAL A 74 17.071 8.259 -3.693 1.00 0.00 C ATOM 1142 CG2 VAL A 74 14.946 6.978 -4.321 1.00 0.00 C ATOM 0 H VAL A 74 16.222 5.584 -6.525 1.00 0.00 H new ATOM 0 HA VAL A 74 16.028 8.475 -6.340 1.00 0.00 H new ATOM 0 HB VAL A 74 16.984 6.279 -4.457 1.00 0.00 H new ATOM 0 HG11 VAL A 74 16.919 7.954 -2.658 1.00 0.00 H new ATOM 0 HG12 VAL A 74 18.139 8.339 -3.895 1.00 0.00 H new ATOM 0 HG13 VAL A 74 16.597 9.226 -3.860 1.00 0.00 H new ATOM 0 HG21 VAL A 74 14.832 6.717 -3.269 1.00 0.00 H new ATOM 0 HG22 VAL A 74 14.385 7.888 -4.532 1.00 0.00 H new ATOM 0 HG23 VAL A 74 14.565 6.165 -4.939 1.00 0.00 H new ATOM 1152 N GLU A 75 18.328 9.013 -7.133 1.00 0.00 N ATOM 1153 CA GLU A 75 19.680 9.483 -7.416 1.00 0.00 C ATOM 1154 C GLU A 75 20.268 10.149 -6.172 1.00 0.00 C ATOM 1155 O GLU A 75 19.534 10.668 -5.321 1.00 0.00 O ATOM 1156 CB GLU A 75 19.676 10.471 -8.610 1.00 0.00 C ATOM 1157 CG GLU A 75 18.868 11.772 -8.386 1.00 0.00 C ATOM 1158 CD GLU A 75 18.997 12.754 -9.554 1.00 0.00 C ATOM 1159 OE1 GLU A 75 18.318 12.556 -10.579 1.00 0.00 O ATOM 1160 OE2 GLU A 75 19.785 13.718 -9.453 1.00 0.00 O ATOM 0 H GLU A 75 17.592 9.624 -7.487 1.00 0.00 H new ATOM 0 HA GLU A 75 20.300 8.628 -7.686 1.00 0.00 H new ATOM 0 HB2 GLU A 75 20.707 10.738 -8.843 1.00 0.00 H new ATOM 0 HB3 GLU A 75 19.274 9.958 -9.484 1.00 0.00 H new ATOM 0 HG2 GLU A 75 17.817 11.522 -8.241 1.00 0.00 H new ATOM 0 HG3 GLU A 75 19.210 12.255 -7.471 1.00 0.00 H new ATOM 1167 N GLU A 76 21.590 10.088 -6.054 1.00 0.00 N ATOM 1168 CA GLU A 76 22.342 10.890 -5.099 1.00 0.00 C ATOM 1169 C GLU A 76 23.111 11.926 -5.912 1.00 0.00 C ATOM 1170 O GLU A 76 24.079 11.587 -6.607 1.00 0.00 O ATOM 1171 CB GLU A 76 23.308 10.025 -4.250 1.00 0.00 C ATOM 1172 CG GLU A 76 24.084 10.826 -3.177 1.00 0.00 C ATOM 1173 CD GLU A 76 25.121 9.981 -2.424 1.00 0.00 C ATOM 1174 OE1 GLU A 76 26.182 9.674 -3.008 1.00 0.00 O ATOM 1175 OE2 GLU A 76 24.891 9.619 -1.250 1.00 0.00 O ATOM 0 H GLU A 76 22.173 9.475 -6.624 1.00 0.00 H new ATOM 0 HA GLU A 76 21.665 11.366 -4.389 1.00 0.00 H new ATOM 0 HB2 GLU A 76 22.738 9.236 -3.759 1.00 0.00 H new ATOM 0 HB3 GLU A 76 24.022 9.537 -4.913 1.00 0.00 H new ATOM 0 HG2 GLU A 76 24.587 11.667 -3.654 1.00 0.00 H new ATOM 0 HG3 GLU A 76 23.376 11.243 -2.461 1.00 0.00 H new ATOM 1182 N ASP A 77 22.634 13.178 -5.875 1.00 0.00 N ATOM 1183 CA ASP A 77 23.272 14.304 -6.580 1.00 0.00 C ATOM 1184 C ASP A 77 24.663 14.606 -5.973 1.00 0.00 C ATOM 1185 O ASP A 77 25.497 15.240 -6.619 1.00 0.00 O ATOM 1186 CB ASP A 77 22.358 15.565 -6.516 1.00 0.00 C ATOM 1187 CG ASP A 77 22.824 16.705 -7.449 1.00 0.00 C ATOM 1188 OD1 ASP A 77 23.645 17.557 -7.032 1.00 0.00 O ATOM 1189 OD2 ASP A 77 22.398 16.732 -8.619 1.00 0.00 O ATOM 0 H ASP A 77 21.796 13.441 -5.357 1.00 0.00 H new ATOM 0 HA ASP A 77 23.410 14.029 -7.626 1.00 0.00 H new ATOM 0 HB2 ASP A 77 21.340 15.281 -6.781 1.00 0.00 H new ATOM 0 HB3 ASP A 77 22.329 15.933 -5.490 1.00 0.00 H new