USER MOD reduce.3.24.130724 H: found=0, std=0, add=699, rem=0, adj=22 USER MOD reduce.3.24.130724 removed 699 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 66 HIS : no HE2:sc= -11.8! C(o=-32!,f=-33!) USER MOD Set 1.2: A 90 MET CE :methyl 170:sc= -20.6! (180deg=-19.7!) USER MOD Set 2.1: A 46 ASN : amide:sc= -14.6! C(o=-19!,f=-9.6!) USER MOD Set 2.2: A 49 ASN : amide:sc= -4.39! C(o=-19!,f=-12!) USER MOD Single : A 7 LYS NZ :NH3+ -114:sc= -0.169 (180deg=-2.33!) USER MOD Single : A 12 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 14 THR OG1 : rot 180:sc= -0.17 USER MOD Single : A 15 THR OG1 : rot 180:sc= 0 USER MOD Single : A 17 SER OG : rot 180:sc= 0 USER MOD Single : A 18 ASN : amide:sc= -2.45! K(o=-2.5!,f=-0.56) USER MOD Single : A 19 GLN : amide:sc= 0.0084 X(o=0.0084,f=0) USER MOD Single : A 21 GLN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 23 THR OG1 : rot 180:sc= 0 USER MOD Single : A 24 SER OG : rot 156:sc= -3.31! USER MOD Single : A 25 ASN : amide:sc= -0.0928 X(o=-0.093,f=-0.036) USER MOD Single : A 27 ASN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 29 THR OG1 : rot 180:sc= 0 USER MOD Single : A 30 SER OG : rot -7:sc= 0.21 USER MOD Single : A 51 THR OG1 : rot 73:sc= -3.56! USER MOD Single : A 54 THR OG1 : rot 60:sc= -1.7 USER MOD Single : A 57 HIS : no HD1:sc= -3.43! C(o=-3.4!,f=-4.2!) USER MOD Single : A 60 GLN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 61 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 64 TYR OH : rot 175:sc= 0.891 USER MOD Single : A 67 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Single : A 71 SER OG : rot 180:sc= 0.0148 USER MOD Single : A 72 SER OG : rot 9:sc= 0.653! USER MOD Single : A 73 SER OG : rot 112:sc= 0.0952 USER MOD Single : A 75 GLN : amide:sc= -0.0187 X(o=-0.019,f=0) USER MOD Single : A 78 MET CE :methyl 175:sc= -8.14! (180deg=-8.35!) USER MOD Single : A 79 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 81 LYS NZ :NH3+ 169:sc= 0.261 (180deg=-0.499) USER MOD Single : A 82 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 88 MET CE :methyl 150:sc= -0.108 (180deg=-0.322) USER MOD Single : A 92 SER OG : rot 112:sc= -1.24 USER MOD Single : A 94 THR OG1 : rot 180:sc= 0 USER MOD Single : A 99 ASN : amide:sc= -8.52! C(o=-8.5!,f=-14!) USER MOD Single : A 105 SER OG : rot 180:sc= 0 USER MOD ----------------------------------------------------------------- ATOM 77 N LEU A 5 11.659 -2.899 -3.051 1.00 0.00 N ATOM 78 CA LEU A 5 12.194 -3.503 -4.256 1.00 0.00 C ATOM 79 C LEU A 5 13.437 -2.746 -4.704 1.00 0.00 C ATOM 80 O LEU A 5 13.404 -1.528 -4.855 1.00 0.00 O ATOM 81 CB LEU A 5 11.129 -3.486 -5.349 1.00 0.00 C ATOM 82 CG LEU A 5 10.413 -4.834 -5.381 1.00 0.00 C ATOM 83 CD1 LEU A 5 9.402 -4.846 -6.524 1.00 0.00 C ATOM 84 CD2 LEU A 5 11.435 -5.947 -5.594 1.00 0.00 C ATOM 0 HA LEU A 5 12.474 -4.537 -4.055 1.00 0.00 H new ATOM 0 HB2 LEU A 5 10.413 -2.686 -5.162 1.00 0.00 H new ATOM 0 HB3 LEU A 5 11.588 -3.283 -6.316 1.00 0.00 H new ATOM 0 HG LEU A 5 9.894 -4.993 -4.436 1.00 0.00 H new ATOM 0 HD11 LEU A 5 8.891 -5.808 -6.547 1.00 0.00 H new ATOM 0 HD12 LEU A 5 8.672 -4.051 -6.373 1.00 0.00 H new ATOM 0 HD13 LEU A 5 9.920 -4.688 -7.470 1.00 0.00 H new ATOM 0 HD21 LEU A 5 10.925 -6.910 -5.617 1.00 0.00 H new ATOM 0 HD22 LEU A 5 11.954 -5.789 -6.539 1.00 0.00 H new ATOM 0 HD23 LEU A 5 12.157 -5.939 -4.778 1.00 0.00 H new ATOM 96 N CYS A 6 14.536 -3.475 -4.915 1.00 0.00 N ATOM 97 CA CYS A 6 15.782 -2.873 -5.343 1.00 0.00 C ATOM 98 C CYS A 6 16.440 -3.749 -6.400 1.00 0.00 C ATOM 99 O CYS A 6 16.169 -4.945 -6.475 1.00 0.00 O ATOM 100 CB CYS A 6 16.702 -2.697 -4.138 1.00 0.00 C ATOM 101 SG CYS A 6 15.827 -2.385 -2.584 1.00 0.00 S ATOM 0 H CYS A 6 14.579 -4.487 -4.793 1.00 0.00 H new ATOM 0 HA CYS A 6 15.587 -1.894 -5.780 1.00 0.00 H new ATOM 0 HB2 CYS A 6 17.313 -3.593 -4.026 1.00 0.00 H new ATOM 0 HB3 CYS A 6 17.384 -1.869 -4.332 1.00 0.00 H new ATOM 106 N LYS A 7 17.306 -3.148 -7.220 1.00 0.00 N ATOM 107 CA LYS A 7 17.995 -3.876 -8.267 1.00 0.00 C ATOM 108 C LYS A 7 19.127 -4.699 -7.667 1.00 0.00 C ATOM 109 O LYS A 7 19.898 -4.198 -6.851 1.00 0.00 O ATOM 110 CB LYS A 7 18.534 -2.890 -9.300 1.00 0.00 C ATOM 111 CG LYS A 7 17.645 -2.918 -10.541 1.00 0.00 C ATOM 112 CD LYS A 7 17.102 -1.518 -10.810 1.00 0.00 C ATOM 113 CE LYS A 7 17.811 -0.922 -12.022 1.00 0.00 C ATOM 114 NZ LYS A 7 17.008 0.150 -12.630 1.00 0.00 N ATOM 0 H LYS A 7 17.541 -2.157 -7.172 1.00 0.00 H new ATOM 0 HA LYS A 7 17.300 -4.556 -8.759 1.00 0.00 H new ATOM 0 HB2 LYS A 7 18.560 -1.884 -8.880 1.00 0.00 H new ATOM 0 HB3 LYS A 7 19.558 -3.150 -9.567 1.00 0.00 H new ATOM 0 HG2 LYS A 7 18.214 -3.270 -11.401 1.00 0.00 H new ATOM 0 HG3 LYS A 7 16.822 -3.617 -10.396 1.00 0.00 H new ATOM 0 HD2 LYS A 7 16.028 -1.561 -10.989 1.00 0.00 H new ATOM 0 HD3 LYS A 7 17.255 -0.883 -9.937 1.00 0.00 H new ATOM 0 HE2 LYS A 7 18.782 -0.528 -11.722 1.00 0.00 H new ATOM 0 HE3 LYS A 7 17.998 -1.703 -12.759 1.00 0.00 H new ATOM 0 HZ1 LYS A 7 16.700 -0.143 -13.579 1.00 0.00 H new ATOM 0 HZ2 LYS A 7 16.174 0.337 -12.038 1.00 0.00 H new ATOM 0 HZ3 LYS A 7 17.582 1.014 -12.703 1.00 0.00 H new ATOM 128 N PHE A 8 19.224 -5.966 -8.075 1.00 0.00 N ATOM 129 CA PHE A 8 20.259 -6.850 -7.577 1.00 0.00 C ATOM 130 C PHE A 8 21.131 -7.325 -8.730 1.00 0.00 C ATOM 131 O PHE A 8 20.939 -8.423 -9.246 1.00 0.00 O ATOM 132 CB PHE A 8 19.614 -8.034 -6.863 1.00 0.00 C ATOM 133 CG PHE A 8 20.521 -8.698 -5.855 1.00 0.00 C ATOM 134 CD1 PHE A 8 21.484 -9.622 -6.280 1.00 0.00 C ATOM 135 CD2 PHE A 8 20.403 -8.386 -4.494 1.00 0.00 C ATOM 136 CE1 PHE A 8 22.326 -10.236 -5.345 1.00 0.00 C ATOM 137 CE2 PHE A 8 21.246 -8.999 -3.560 1.00 0.00 C ATOM 138 CZ PHE A 8 22.207 -9.924 -3.986 1.00 0.00 C ATOM 0 H PHE A 8 18.593 -6.396 -8.751 1.00 0.00 H new ATOM 0 HA PHE A 8 20.890 -6.314 -6.868 1.00 0.00 H new ATOM 0 HB2 PHE A 8 18.710 -7.694 -6.358 1.00 0.00 H new ATOM 0 HB3 PHE A 8 19.307 -8.772 -7.605 1.00 0.00 H new ATOM 0 HD1 PHE A 8 21.577 -9.861 -7.329 1.00 0.00 H new ATOM 0 HD2 PHE A 8 19.662 -7.673 -4.166 1.00 0.00 H new ATOM 0 HE1 PHE A 8 23.067 -10.950 -5.672 1.00 0.00 H new ATOM 0 HE2 PHE A 8 21.155 -8.759 -2.511 1.00 0.00 H new ATOM 0 HZ PHE A 8 22.857 -10.397 -3.265 1.00 0.00 H new ATOM 148 N CYS A 9 22.094 -6.492 -9.133 1.00 0.00 N ATOM 149 CA CYS A 9 22.990 -6.828 -10.221 1.00 0.00 C ATOM 150 C CYS A 9 24.428 -6.836 -9.719 1.00 0.00 C ATOM 151 O CYS A 9 24.793 -6.036 -8.862 1.00 0.00 O ATOM 152 CB CYS A 9 22.819 -5.817 -11.353 1.00 0.00 C ATOM 153 SG CYS A 9 21.432 -6.180 -12.458 1.00 0.00 S ATOM 0 H CYS A 9 22.266 -5.578 -8.714 1.00 0.00 H new ATOM 0 HA CYS A 9 22.751 -7.821 -10.600 1.00 0.00 H new ATOM 0 HB2 CYS A 9 22.678 -4.825 -10.923 1.00 0.00 H new ATOM 0 HB3 CYS A 9 23.738 -5.783 -11.938 1.00 0.00 H new ATOM 158 N ASP A 10 25.243 -7.746 -10.257 1.00 0.00 N ATOM 159 CA ASP A 10 26.633 -7.855 -9.861 1.00 0.00 C ATOM 160 C ASP A 10 27.412 -6.656 -10.383 1.00 0.00 C ATOM 161 O ASP A 10 26.916 -5.908 -11.222 1.00 0.00 O ATOM 162 CB ASP A 10 27.215 -9.157 -10.405 1.00 0.00 C ATOM 163 CG ASP A 10 26.159 -10.252 -10.439 1.00 0.00 C ATOM 164 OD1 ASP A 10 26.021 -10.941 -9.405 1.00 0.00 O ATOM 165 OD2 ASP A 10 25.509 -10.380 -11.500 1.00 0.00 O ATOM 0 H ASP A 10 24.955 -8.416 -10.970 1.00 0.00 H new ATOM 0 HA ASP A 10 26.707 -7.866 -8.774 1.00 0.00 H new ATOM 0 HB2 ASP A 10 27.607 -8.993 -11.409 1.00 0.00 H new ATOM 0 HB3 ASP A 10 28.053 -9.473 -9.783 1.00 0.00 H new ATOM 170 N VAL A 11 28.637 -6.474 -9.883 1.00 0.00 N ATOM 171 CA VAL A 11 29.476 -5.369 -10.299 1.00 0.00 C ATOM 172 C VAL A 11 30.097 -5.677 -11.654 1.00 0.00 C ATOM 173 O VAL A 11 30.929 -6.576 -11.768 1.00 0.00 O ATOM 174 CB VAL A 11 30.558 -5.130 -9.249 1.00 0.00 C ATOM 175 CG1 VAL A 11 30.671 -6.354 -8.346 1.00 0.00 C ATOM 176 CG2 VAL A 11 31.895 -4.885 -9.944 1.00 0.00 C ATOM 0 H VAL A 11 29.063 -7.086 -9.187 1.00 0.00 H new ATOM 0 HA VAL A 11 28.875 -4.465 -10.394 1.00 0.00 H new ATOM 0 HB VAL A 11 30.295 -4.259 -8.648 1.00 0.00 H new ATOM 0 HG11 VAL A 11 31.444 -6.183 -7.596 1.00 0.00 H new ATOM 0 HG12 VAL A 11 29.716 -6.529 -7.850 1.00 0.00 H new ATOM 0 HG13 VAL A 11 30.934 -7.226 -8.946 1.00 0.00 H new ATOM 0 HG21 VAL A 11 32.668 -4.714 -9.195 1.00 0.00 H new ATOM 0 HG22 VAL A 11 32.158 -5.756 -10.545 1.00 0.00 H new ATOM 0 HG23 VAL A 11 31.815 -4.010 -10.589 1.00 0.00 H new ATOM 186 N LYS A 12 29.693 -4.928 -12.682 1.00 0.00 N ATOM 187 CA LYS A 12 30.212 -5.126 -14.021 1.00 0.00 C ATOM 188 C LYS A 12 30.492 -3.778 -14.671 1.00 0.00 C ATOM 189 O LYS A 12 29.961 -2.756 -14.243 1.00 0.00 O ATOM 190 CB LYS A 12 29.204 -5.923 -14.843 1.00 0.00 C ATOM 191 CG LYS A 12 27.828 -5.830 -14.191 1.00 0.00 C ATOM 192 CD LYS A 12 26.749 -5.865 -15.269 1.00 0.00 C ATOM 193 CE LYS A 12 25.548 -6.659 -14.762 1.00 0.00 C ATOM 194 NZ LYS A 12 24.511 -6.768 -15.801 1.00 0.00 N ATOM 0 H LYS A 12 29.006 -4.179 -12.604 1.00 0.00 H new ATOM 0 HA LYS A 12 31.147 -5.685 -13.974 1.00 0.00 H new ATOM 0 HB2 LYS A 12 29.162 -5.536 -15.861 1.00 0.00 H new ATOM 0 HB3 LYS A 12 29.517 -6.965 -14.910 1.00 0.00 H new ATOM 0 HG2 LYS A 12 27.688 -6.657 -13.494 1.00 0.00 H new ATOM 0 HG3 LYS A 12 27.749 -4.909 -13.613 1.00 0.00 H new ATOM 0 HD2 LYS A 12 26.445 -4.851 -15.527 1.00 0.00 H new ATOM 0 HD3 LYS A 12 27.142 -6.321 -16.178 1.00 0.00 H new ATOM 0 HE2 LYS A 12 25.869 -7.655 -14.457 1.00 0.00 H new ATOM 0 HE3 LYS A 12 25.133 -6.173 -13.879 1.00 0.00 H new ATOM 0 HZ1 LYS A 12 23.705 -7.312 -15.432 1.00 0.00 H new ATOM 0 HZ2 LYS A 12 24.191 -5.817 -16.073 1.00 0.00 H new ATOM 0 HZ3 LYS A 12 24.903 -7.252 -16.634 1.00 0.00 H new ATOM 208 N ALA A 13 31.331 -3.779 -15.709 1.00 0.00 N ATOM 209 CA ALA A 13 31.679 -2.561 -16.413 1.00 0.00 C ATOM 210 C ALA A 13 30.420 -1.763 -16.716 1.00 0.00 C ATOM 211 O ALA A 13 29.559 -2.217 -17.465 1.00 0.00 O ATOM 212 CB ALA A 13 32.420 -2.912 -17.699 1.00 0.00 C ATOM 0 H ALA A 13 31.780 -4.618 -16.076 1.00 0.00 H new ATOM 0 HA ALA A 13 32.331 -1.949 -15.789 1.00 0.00 H new ATOM 0 HB1 ALA A 13 32.682 -1.997 -18.229 1.00 0.00 H new ATOM 0 HB2 ALA A 13 33.328 -3.464 -17.457 1.00 0.00 H new ATOM 0 HB3 ALA A 13 31.780 -3.527 -18.332 1.00 0.00 H new ATOM 218 N THR A 14 30.313 -0.569 -16.129 1.00 0.00 N ATOM 219 CA THR A 14 29.161 0.284 -16.341 1.00 0.00 C ATOM 220 C THR A 14 29.565 1.512 -17.143 1.00 0.00 C ATOM 221 O THR A 14 30.750 1.803 -17.288 1.00 0.00 O ATOM 222 CB THR A 14 28.574 0.689 -14.991 1.00 0.00 C ATOM 223 OG1 THR A 14 27.508 1.588 -15.193 1.00 0.00 O ATOM 224 CG2 THR A 14 29.654 1.361 -14.147 1.00 0.00 C ATOM 0 H THR A 14 31.017 -0.178 -15.503 1.00 0.00 H new ATOM 0 HA THR A 14 28.403 -0.259 -16.906 1.00 0.00 H new ATOM 0 HB THR A 14 28.208 -0.198 -14.473 1.00 0.00 H new ATOM 0 HG1 THR A 14 27.130 1.847 -14.327 1.00 0.00 H new ATOM 0 HG21 THR A 14 29.235 1.650 -13.183 1.00 0.00 H new ATOM 0 HG22 THR A 14 30.479 0.666 -13.990 1.00 0.00 H new ATOM 0 HG23 THR A 14 30.021 2.248 -14.664 1.00 0.00 H new ATOM 232 N THR A 15 28.572 2.236 -17.665 1.00 0.00 N ATOM 233 CA THR A 15 28.828 3.428 -18.448 1.00 0.00 C ATOM 234 C THR A 15 28.222 4.641 -17.759 1.00 0.00 C ATOM 235 O THR A 15 27.977 5.664 -18.395 1.00 0.00 O ATOM 236 CB THR A 15 28.243 3.252 -19.846 1.00 0.00 C ATOM 237 OG1 THR A 15 26.849 3.063 -19.752 1.00 0.00 O ATOM 238 CG2 THR A 15 28.877 2.036 -20.515 1.00 0.00 C ATOM 0 H THR A 15 27.584 2.010 -17.554 1.00 0.00 H new ATOM 0 HA THR A 15 29.903 3.586 -18.534 1.00 0.00 H new ATOM 0 HB THR A 15 28.450 4.142 -20.440 1.00 0.00 H new ATOM 0 HG1 THR A 15 26.473 2.952 -20.650 1.00 0.00 H new ATOM 0 HG21 THR A 15 28.459 1.911 -21.514 1.00 0.00 H new ATOM 0 HG22 THR A 15 29.955 2.182 -20.589 1.00 0.00 H new ATOM 0 HG23 THR A 15 28.671 1.145 -19.921 1.00 0.00 H new ATOM 246 N CYS A 16 27.981 4.526 -16.450 1.00 0.00 N ATOM 247 CA CYS A 16 27.406 5.609 -15.679 1.00 0.00 C ATOM 248 C CYS A 16 28.507 6.552 -15.216 1.00 0.00 C ATOM 249 O CYS A 16 29.570 6.107 -14.789 1.00 0.00 O ATOM 250 CB CYS A 16 26.648 5.036 -14.485 1.00 0.00 C ATOM 251 SG CYS A 16 24.996 5.741 -14.256 1.00 0.00 S ATOM 0 H CYS A 16 28.180 3.685 -15.908 1.00 0.00 H new ATOM 0 HA CYS A 16 26.708 6.172 -16.299 1.00 0.00 H new ATOM 0 HB2 CYS A 16 26.558 3.957 -14.609 1.00 0.00 H new ATOM 0 HB3 CYS A 16 27.233 5.205 -13.581 1.00 0.00 H new ATOM 256 N SER A 17 28.251 7.860 -15.302 1.00 0.00 N ATOM 257 CA SER A 17 29.220 8.856 -14.892 1.00 0.00 C ATOM 258 C SER A 17 28.773 9.505 -13.590 1.00 0.00 C ATOM 259 O SER A 17 27.580 9.566 -13.300 1.00 0.00 O ATOM 260 CB SER A 17 29.371 9.901 -15.994 1.00 0.00 C ATOM 261 OG SER A 17 30.247 9.413 -16.986 1.00 0.00 O ATOM 0 H SER A 17 27.375 8.246 -15.654 1.00 0.00 H new ATOM 0 HA SER A 17 30.187 8.382 -14.725 1.00 0.00 H new ATOM 0 HB2 SER A 17 28.399 10.127 -16.431 1.00 0.00 H new ATOM 0 HB3 SER A 17 29.758 10.831 -15.578 1.00 0.00 H new ATOM 0 HG SER A 17 30.344 10.082 -17.695 1.00 0.00 H new ATOM 267 N ASN A 18 29.736 9.995 -12.805 1.00 0.00 N ATOM 268 CA ASN A 18 29.438 10.638 -11.542 1.00 0.00 C ATOM 269 C ASN A 18 28.653 11.920 -11.784 1.00 0.00 C ATOM 270 O ASN A 18 29.152 13.015 -11.532 1.00 0.00 O ATOM 271 CB ASN A 18 30.739 10.933 -10.802 1.00 0.00 C ATOM 272 CG ASN A 18 31.693 11.733 -11.679 1.00 0.00 C ATOM 273 OD1 ASN A 18 31.783 12.951 -11.548 1.00 0.00 O ATOM 274 ND2 ASN A 18 32.405 11.044 -12.573 1.00 0.00 N ATOM 0 H ASN A 18 30.730 9.954 -13.031 1.00 0.00 H new ATOM 0 HA ASN A 18 28.828 9.974 -10.929 1.00 0.00 H new ATOM 0 HB2 ASN A 18 30.525 11.489 -9.889 1.00 0.00 H new ATOM 0 HB3 ASN A 18 31.212 9.998 -10.502 1.00 0.00 H new ATOM 0 HD21 ASN A 18 33.060 11.529 -13.186 1.00 0.00 H new ATOM 0 HD22 ASN A 18 32.294 10.032 -12.643 1.00 0.00 H new ATOM 281 N GLN A 19 27.420 11.781 -12.277 1.00 0.00 N ATOM 282 CA GLN A 19 26.574 12.925 -12.551 1.00 0.00 C ATOM 283 C GLN A 19 25.520 13.062 -11.462 1.00 0.00 C ATOM 284 O GLN A 19 25.307 12.137 -10.681 1.00 0.00 O ATOM 285 CB GLN A 19 25.919 12.754 -13.919 1.00 0.00 C ATOM 286 CG GLN A 19 24.932 13.892 -14.157 1.00 0.00 C ATOM 287 CD GLN A 19 24.407 13.865 -15.586 1.00 0.00 C ATOM 288 OE1 GLN A 19 24.852 14.642 -16.428 1.00 0.00 O ATOM 289 NE2 GLN A 19 23.456 12.969 -15.857 1.00 0.00 N ATOM 0 H GLN A 19 26.992 10.881 -12.492 1.00 0.00 H new ATOM 0 HA GLN A 19 27.176 13.834 -12.560 1.00 0.00 H new ATOM 0 HB2 GLN A 19 26.679 12.749 -14.700 1.00 0.00 H new ATOM 0 HB3 GLN A 19 25.404 11.795 -13.970 1.00 0.00 H new ATOM 0 HG2 GLN A 19 24.100 13.809 -13.458 1.00 0.00 H new ATOM 0 HG3 GLN A 19 25.419 14.848 -13.962 1.00 0.00 H new ATOM 0 HE21 GLN A 19 23.119 12.345 -15.124 1.00 0.00 H new ATOM 0 HE22 GLN A 19 23.066 12.908 -16.798 1.00 0.00 H new ATOM 298 N ASP A 20 24.860 14.221 -11.411 1.00 0.00 N ATOM 299 CA ASP A 20 23.833 14.473 -10.421 1.00 0.00 C ATOM 300 C ASP A 20 22.911 13.266 -10.315 1.00 0.00 C ATOM 301 O ASP A 20 22.407 12.960 -9.236 1.00 0.00 O ATOM 302 CB ASP A 20 23.048 15.723 -10.809 1.00 0.00 C ATOM 303 CG ASP A 20 23.680 16.970 -10.209 1.00 0.00 C ATOM 304 OD1 ASP A 20 23.365 17.256 -9.033 1.00 0.00 O ATOM 305 OD2 ASP A 20 24.466 17.614 -10.937 1.00 0.00 O ATOM 0 H ASP A 20 25.026 14.998 -12.051 1.00 0.00 H new ATOM 0 HA ASP A 20 24.294 14.639 -9.447 1.00 0.00 H new ATOM 0 HB2 ASP A 20 23.015 15.814 -11.895 1.00 0.00 H new ATOM 0 HB3 ASP A 20 22.018 15.631 -10.465 1.00 0.00 H new ATOM 310 N GLN A 21 22.691 12.582 -11.439 1.00 0.00 N ATOM 311 CA GLN A 21 21.831 11.415 -11.467 1.00 0.00 C ATOM 312 C GLN A 21 22.422 10.360 -12.390 1.00 0.00 C ATOM 313 O GLN A 21 22.811 10.663 -13.515 1.00 0.00 O ATOM 314 CB GLN A 21 20.437 11.824 -11.936 1.00 0.00 C ATOM 315 CG GLN A 21 19.450 10.698 -11.644 1.00 0.00 C ATOM 316 CD GLN A 21 18.054 11.059 -12.131 1.00 0.00 C ATOM 317 OE1 GLN A 21 17.136 11.212 -11.330 1.00 0.00 O ATOM 318 NE2 GLN A 21 17.898 11.195 -13.450 1.00 0.00 N ATOM 0 H GLN A 21 23.102 12.823 -12.341 1.00 0.00 H new ATOM 0 HA GLN A 21 21.754 10.991 -10.466 1.00 0.00 H new ATOM 0 HB2 GLN A 21 20.124 12.736 -11.428 1.00 0.00 H new ATOM 0 HB3 GLN A 21 20.451 12.042 -13.004 1.00 0.00 H new ATOM 0 HG2 GLN A 21 19.783 9.781 -12.131 1.00 0.00 H new ATOM 0 HG3 GLN A 21 19.426 10.499 -10.573 1.00 0.00 H new ATOM 0 HE21 GLN A 21 18.693 11.057 -14.074 1.00 0.00 H new ATOM 0 HE22 GLN A 21 16.984 11.437 -13.833 1.00 0.00 H new ATOM 327 N CYS A 22 22.487 9.115 -11.911 1.00 0.00 N ATOM 328 CA CYS A 22 23.029 8.022 -12.692 1.00 0.00 C ATOM 329 C CYS A 22 22.160 6.784 -12.516 1.00 0.00 C ATOM 330 O CYS A 22 21.353 6.715 -11.592 1.00 0.00 O ATOM 331 CB CYS A 22 24.463 7.743 -12.251 1.00 0.00 C ATOM 332 SG CYS A 22 25.638 7.592 -13.620 1.00 0.00 S ATOM 0 H CYS A 22 22.167 8.847 -10.980 1.00 0.00 H new ATOM 0 HA CYS A 22 23.035 8.292 -13.748 1.00 0.00 H new ATOM 0 HB2 CYS A 22 24.792 8.545 -11.590 1.00 0.00 H new ATOM 0 HB3 CYS A 22 24.480 6.822 -11.668 1.00 0.00 H new ATOM 337 N THR A 23 22.327 5.804 -13.407 1.00 0.00 N ATOM 338 CA THR A 23 21.557 4.578 -13.342 1.00 0.00 C ATOM 339 C THR A 23 22.475 3.407 -13.020 1.00 0.00 C ATOM 340 O THR A 23 23.670 3.455 -13.298 1.00 0.00 O ATOM 341 CB THR A 23 20.845 4.355 -14.673 1.00 0.00 C ATOM 342 OG1 THR A 23 20.013 5.460 -14.952 1.00 0.00 O ATOM 343 CG2 THR A 23 19.997 3.088 -14.591 1.00 0.00 C ATOM 0 H THR A 23 22.992 5.844 -14.180 1.00 0.00 H new ATOM 0 HA THR A 23 20.810 4.656 -12.552 1.00 0.00 H new ATOM 0 HB THR A 23 21.584 4.247 -15.467 1.00 0.00 H new ATOM 0 HG1 THR A 23 19.557 5.318 -15.808 1.00 0.00 H new ATOM 0 HG21 THR A 23 19.488 2.929 -15.542 1.00 0.00 H new ATOM 0 HG22 THR A 23 20.639 2.234 -14.375 1.00 0.00 H new ATOM 0 HG23 THR A 23 19.258 3.196 -13.797 1.00 0.00 H new ATOM 351 N SER A 24 21.908 2.351 -12.431 1.00 0.00 N ATOM 352 CA SER A 24 22.675 1.174 -12.074 1.00 0.00 C ATOM 353 C SER A 24 22.850 0.282 -13.295 1.00 0.00 C ATOM 354 O SER A 24 23.777 -0.522 -13.353 1.00 0.00 O ATOM 355 CB SER A 24 21.960 0.423 -10.954 1.00 0.00 C ATOM 356 OG SER A 24 20.713 -0.041 -11.421 1.00 0.00 O ATOM 0 H SER A 24 20.917 2.295 -12.194 1.00 0.00 H new ATOM 0 HA SER A 24 23.663 1.472 -11.722 1.00 0.00 H new ATOM 0 HB2 SER A 24 22.569 -0.416 -10.617 1.00 0.00 H new ATOM 0 HB3 SER A 24 21.818 1.079 -10.095 1.00 0.00 H new ATOM 0 HG SER A 24 20.430 -0.812 -10.887 1.00 0.00 H new ATOM 362 N ASN A 25 21.953 0.428 -14.274 1.00 0.00 N ATOM 363 CA ASN A 25 22.014 -0.362 -15.488 1.00 0.00 C ATOM 364 C ASN A 25 21.601 -1.798 -15.194 1.00 0.00 C ATOM 365 O ASN A 25 21.624 -2.648 -16.081 1.00 0.00 O ATOM 366 CB ASN A 25 23.430 -0.312 -16.055 1.00 0.00 C ATOM 367 CG ASN A 25 23.442 -0.712 -17.523 1.00 0.00 C ATOM 368 OD1 ASN A 25 24.025 -1.730 -17.887 1.00 0.00 O ATOM 369 ND2 ASN A 25 22.792 0.093 -18.368 1.00 0.00 N ATOM 0 H ASN A 25 21.178 1.090 -14.241 1.00 0.00 H new ATOM 0 HA ASN A 25 21.325 0.047 -16.227 1.00 0.00 H new ATOM 0 HB2 ASN A 25 23.835 0.694 -15.945 1.00 0.00 H new ATOM 0 HB3 ASN A 25 24.077 -0.980 -15.487 1.00 0.00 H new ATOM 0 HD21 ASN A 25 22.765 -0.127 -19.364 1.00 0.00 H new ATOM 0 HD22 ASN A 25 22.322 0.928 -18.018 1.00 0.00 H new ATOM 376 N CYS A 26 21.223 -2.065 -13.942 1.00 0.00 N ATOM 377 CA CYS A 26 20.807 -3.392 -13.534 1.00 0.00 C ATOM 378 C CYS A 26 19.503 -3.758 -14.230 1.00 0.00 C ATOM 379 O CYS A 26 18.808 -2.888 -14.750 1.00 0.00 O ATOM 380 CB CYS A 26 20.640 -3.429 -12.018 1.00 0.00 C ATOM 381 SG CYS A 26 20.062 -5.021 -11.381 1.00 0.00 S ATOM 0 H CYS A 26 21.199 -1.370 -13.196 1.00 0.00 H new ATOM 0 HA CYS A 26 21.566 -4.120 -13.819 1.00 0.00 H new ATOM 0 HB2 CYS A 26 21.595 -3.187 -11.551 1.00 0.00 H new ATOM 0 HB3 CYS A 26 19.935 -2.653 -11.721 1.00 0.00 H new ATOM 386 N ASN A 27 19.172 -5.052 -14.238 1.00 0.00 N ATOM 387 CA ASN A 27 17.955 -5.524 -14.867 1.00 0.00 C ATOM 388 C ASN A 27 17.340 -6.640 -14.035 1.00 0.00 C ATOM 389 O ASN A 27 16.698 -7.539 -14.573 1.00 0.00 O ATOM 390 CB ASN A 27 18.272 -6.013 -16.278 1.00 0.00 C ATOM 391 CG ASN A 27 17.225 -5.527 -17.269 1.00 0.00 C ATOM 392 OD1 ASN A 27 16.172 -6.145 -17.416 1.00 0.00 O ATOM 393 ND2 ASN A 27 17.513 -4.416 -17.949 1.00 0.00 N ATOM 0 H ASN A 27 19.738 -5.786 -13.812 1.00 0.00 H new ATOM 0 HA ASN A 27 17.234 -4.709 -14.930 1.00 0.00 H new ATOM 0 HB2 ASN A 27 19.257 -5.655 -16.579 1.00 0.00 H new ATOM 0 HB3 ASN A 27 18.311 -7.102 -16.289 1.00 0.00 H new ATOM 0 HD21 ASN A 27 16.846 -4.045 -18.625 1.00 0.00 H new ATOM 0 HD22 ASN A 27 18.400 -3.938 -17.793 1.00 0.00 H new ATOM 400 N ILE A 28 17.537 -6.578 -12.716 1.00 0.00 N ATOM 401 CA ILE A 28 17.001 -7.577 -11.813 1.00 0.00 C ATOM 402 C ILE A 28 16.188 -6.900 -10.719 1.00 0.00 C ATOM 403 O ILE A 28 16.498 -5.782 -10.314 1.00 0.00 O ATOM 404 CB ILE A 28 18.147 -8.387 -11.214 1.00 0.00 C ATOM 405 CG1 ILE A 28 18.919 -9.081 -12.332 1.00 0.00 C ATOM 406 CG2 ILE A 28 17.584 -9.434 -10.257 1.00 0.00 C ATOM 407 CD1 ILE A 28 19.997 -9.978 -11.726 1.00 0.00 C ATOM 0 H ILE A 28 18.068 -5.839 -12.256 1.00 0.00 H new ATOM 0 HA ILE A 28 16.344 -8.253 -12.360 1.00 0.00 H new ATOM 0 HB ILE A 28 18.817 -7.721 -10.670 1.00 0.00 H new ATOM 0 HG12 ILE A 28 18.239 -9.674 -12.944 1.00 0.00 H new ATOM 0 HG13 ILE A 28 19.375 -8.340 -12.988 1.00 0.00 H new ATOM 0 HG21 ILE A 28 18.402 -10.013 -9.829 1.00 0.00 H new ATOM 0 HG22 ILE A 28 17.033 -8.938 -9.458 1.00 0.00 H new ATOM 0 HG23 ILE A 28 16.914 -10.100 -10.800 1.00 0.00 H new ATOM 0 HD11 ILE A 28 20.549 -10.474 -12.525 1.00 0.00 H new ATOM 0 HD12 ILE A 28 20.683 -9.373 -11.133 1.00 0.00 H new ATOM 0 HD13 ILE A 28 19.530 -10.728 -11.088 1.00 0.00 H new ATOM 419 N THR A 29 15.144 -7.581 -10.241 1.00 0.00 N ATOM 420 CA THR A 29 14.296 -7.040 -9.197 1.00 0.00 C ATOM 421 C THR A 29 14.329 -7.950 -7.978 1.00 0.00 C ATOM 422 O THR A 29 13.683 -8.994 -7.960 1.00 0.00 O ATOM 423 CB THR A 29 12.871 -6.895 -9.725 1.00 0.00 C ATOM 424 OG1 THR A 29 12.887 -6.141 -10.917 1.00 0.00 O ATOM 425 CG2 THR A 29 12.013 -6.182 -8.684 1.00 0.00 C ATOM 0 H THR A 29 14.872 -8.509 -10.566 1.00 0.00 H new ATOM 0 HA THR A 29 14.663 -6.057 -8.900 1.00 0.00 H new ATOM 0 HB THR A 29 12.455 -7.882 -9.924 1.00 0.00 H new ATOM 0 HG1 THR A 29 11.973 -6.049 -11.258 1.00 0.00 H new ATOM 0 HG21 THR A 29 10.995 -6.078 -9.061 1.00 0.00 H new ATOM 0 HG22 THR A 29 12.001 -6.763 -7.762 1.00 0.00 H new ATOM 0 HG23 THR A 29 12.429 -5.194 -8.485 1.00 0.00 H new ATOM 433 N SER A 30 15.086 -7.548 -6.955 1.00 0.00 N ATOM 434 CA SER A 30 15.200 -8.325 -5.737 1.00 0.00 C ATOM 435 C SER A 30 14.243 -7.781 -4.686 1.00 0.00 C ATOM 436 O SER A 30 14.192 -6.575 -4.453 1.00 0.00 O ATOM 437 CB SER A 30 16.639 -8.276 -5.235 1.00 0.00 C ATOM 438 OG SER A 30 17.029 -6.933 -5.057 1.00 0.00 O ATOM 0 H SER A 30 15.628 -6.684 -6.954 1.00 0.00 H new ATOM 0 HA SER A 30 14.935 -9.363 -5.938 1.00 0.00 H new ATOM 0 HB2 SER A 30 16.726 -8.819 -4.294 1.00 0.00 H new ATOM 0 HB3 SER A 30 17.301 -8.767 -5.948 1.00 0.00 H new ATOM 0 HG SER A 30 16.326 -6.340 -5.397 1.00 0.00 H new ATOM 444 N ILE A 31 13.483 -8.675 -4.049 1.00 0.00 N ATOM 445 CA ILE A 31 12.534 -8.285 -3.025 1.00 0.00 C ATOM 446 C ILE A 31 13.226 -8.245 -1.670 1.00 0.00 C ATOM 447 O ILE A 31 13.980 -9.154 -1.329 1.00 0.00 O ATOM 448 CB ILE A 31 11.369 -9.271 -3.009 1.00 0.00 C ATOM 449 CG1 ILE A 31 10.778 -9.383 -4.411 1.00 0.00 C ATOM 450 CG2 ILE A 31 10.297 -8.776 -2.043 1.00 0.00 C ATOM 451 CD1 ILE A 31 9.720 -10.483 -4.430 1.00 0.00 C ATOM 0 H ILE A 31 13.513 -9.678 -4.232 1.00 0.00 H new ATOM 0 HA ILE A 31 12.146 -7.290 -3.243 1.00 0.00 H new ATOM 0 HB ILE A 31 11.725 -10.249 -2.686 1.00 0.00 H new ATOM 0 HG12 ILE A 31 10.335 -8.432 -4.708 1.00 0.00 H new ATOM 0 HG13 ILE A 31 11.564 -9.607 -5.132 1.00 0.00 H new ATOM 0 HG21 ILE A 31 9.465 -9.480 -2.031 1.00 0.00 H new ATOM 0 HG22 ILE A 31 10.719 -8.696 -1.041 1.00 0.00 H new ATOM 0 HG23 ILE A 31 9.940 -7.798 -2.365 1.00 0.00 H new ATOM 0 HD11 ILE A 31 9.297 -10.564 -5.431 1.00 0.00 H new ATOM 0 HD12 ILE A 31 10.177 -11.432 -4.151 1.00 0.00 H new ATOM 0 HD13 ILE A 31 8.929 -10.239 -3.721 1.00 0.00 H new ATOM 463 N CYS A 32 12.971 -7.186 -0.898 1.00 0.00 N ATOM 464 CA CYS A 32 13.569 -7.032 0.413 1.00 0.00 C ATOM 465 C CYS A 32 12.478 -6.848 1.458 1.00 0.00 C ATOM 466 O CYS A 32 12.672 -6.138 2.443 1.00 0.00 O ATOM 467 CB CYS A 32 14.516 -5.836 0.402 1.00 0.00 C ATOM 468 SG CYS A 32 15.873 -5.984 -0.787 1.00 0.00 S ATOM 0 H CYS A 32 12.350 -6.423 -1.168 1.00 0.00 H new ATOM 0 HA CYS A 32 14.139 -7.926 0.665 1.00 0.00 H new ATOM 0 HB2 CYS A 32 13.945 -4.935 0.176 1.00 0.00 H new ATOM 0 HB3 CYS A 32 14.934 -5.707 1.401 1.00 0.00 H new ATOM 538 N GLU A 37 15.571 -4.856 5.000 1.00 0.00 N ATOM 539 CA GLU A 37 16.604 -4.667 4.001 1.00 0.00 C ATOM 540 C GLU A 37 16.409 -3.331 3.298 1.00 0.00 C ATOM 541 O GLU A 37 15.340 -2.731 3.383 1.00 0.00 O ATOM 542 CB GLU A 37 16.557 -5.818 2.999 1.00 0.00 C ATOM 543 CG GLU A 37 17.710 -6.778 3.274 1.00 0.00 C ATOM 544 CD GLU A 37 17.440 -7.609 4.520 1.00 0.00 C ATOM 545 OE1 GLU A 37 16.744 -8.637 4.376 1.00 0.00 O ATOM 546 OE2 GLU A 37 17.934 -7.201 5.592 1.00 0.00 O ATOM 0 HA GLU A 37 17.582 -4.660 4.482 1.00 0.00 H new ATOM 0 HB2 GLU A 37 15.605 -6.344 3.077 1.00 0.00 H new ATOM 0 HB3 GLU A 37 16.626 -5.432 1.982 1.00 0.00 H new ATOM 0 HG2 GLU A 37 17.853 -7.436 2.417 1.00 0.00 H new ATOM 0 HG3 GLU A 37 18.635 -6.215 3.401 1.00 0.00 H new ATOM 553 N VAL A 38 17.449 -2.866 2.601 1.00 0.00 N ATOM 554 CA VAL A 38 17.389 -1.607 1.887 1.00 0.00 C ATOM 555 C VAL A 38 18.118 -1.735 0.557 1.00 0.00 C ATOM 556 O VAL A 38 18.824 -2.714 0.325 1.00 0.00 O ATOM 557 CB VAL A 38 18.013 -0.508 2.742 1.00 0.00 C ATOM 558 CG1 VAL A 38 18.005 0.806 1.967 1.00 0.00 C ATOM 559 CG2 VAL A 38 17.206 -0.345 4.028 1.00 0.00 C ATOM 0 H VAL A 38 18.342 -3.352 2.521 1.00 0.00 H new ATOM 0 HA VAL A 38 16.350 -1.347 1.686 1.00 0.00 H new ATOM 0 HB VAL A 38 19.040 -0.778 2.988 1.00 0.00 H new ATOM 0 HG11 VAL A 38 18.451 1.591 2.578 1.00 0.00 H new ATOM 0 HG12 VAL A 38 18.580 0.690 1.048 1.00 0.00 H new ATOM 0 HG13 VAL A 38 16.978 1.077 1.721 1.00 0.00 H new ATOM 0 HG21 VAL A 38 17.651 0.440 4.640 1.00 0.00 H new ATOM 0 HG22 VAL A 38 16.179 -0.075 3.781 1.00 0.00 H new ATOM 0 HG23 VAL A 38 17.211 -1.284 4.582 1.00 0.00 H new ATOM 569 N CYS A 39 17.945 -0.741 -0.318 1.00 0.00 N ATOM 570 CA CYS A 39 18.586 -0.746 -1.618 1.00 0.00 C ATOM 571 C CYS A 39 19.923 -0.025 -1.535 1.00 0.00 C ATOM 572 O CYS A 39 19.984 1.128 -1.113 1.00 0.00 O ATOM 573 CB CYS A 39 17.671 -0.074 -2.638 1.00 0.00 C ATOM 574 SG CYS A 39 15.921 -0.498 -2.448 1.00 0.00 S ATOM 0 H CYS A 39 17.362 0.077 -0.140 1.00 0.00 H new ATOM 0 HA CYS A 39 18.768 -1.773 -1.935 1.00 0.00 H new ATOM 0 HB2 CYS A 39 17.784 1.007 -2.555 1.00 0.00 H new ATOM 0 HB3 CYS A 39 17.995 -0.352 -3.641 1.00 0.00 H new ATOM 579 N ALA A 40 20.997 -0.706 -1.942 1.00 0.00 N ATOM 580 CA ALA A 40 22.326 -0.129 -1.911 1.00 0.00 C ATOM 581 C ALA A 40 22.971 -0.247 -3.284 1.00 0.00 C ATOM 582 O ALA A 40 23.148 -1.349 -3.798 1.00 0.00 O ATOM 583 CB ALA A 40 23.166 -0.843 -0.856 1.00 0.00 C ATOM 0 H ALA A 40 20.962 -1.662 -2.297 1.00 0.00 H new ATOM 0 HA ALA A 40 22.262 0.928 -1.651 1.00 0.00 H new ATOM 0 HB1 ALA A 40 24.166 -0.409 -0.832 1.00 0.00 H new ATOM 0 HB2 ALA A 40 22.697 -0.728 0.121 1.00 0.00 H new ATOM 0 HB3 ALA A 40 23.236 -1.902 -1.102 1.00 0.00 H new ATOM 589 N ALA A 41 23.322 0.896 -3.881 1.00 0.00 N ATOM 590 CA ALA A 41 23.943 0.917 -5.189 1.00 0.00 C ATOM 591 C ALA A 41 25.259 1.677 -5.123 1.00 0.00 C ATOM 592 O ALA A 41 25.283 2.851 -4.759 1.00 0.00 O ATOM 593 CB ALA A 41 22.993 1.565 -6.191 1.00 0.00 C ATOM 0 H ALA A 41 23.182 1.818 -3.468 1.00 0.00 H new ATOM 0 HA ALA A 41 24.152 -0.102 -5.514 1.00 0.00 H new ATOM 0 HB1 ALA A 41 23.459 1.582 -7.176 1.00 0.00 H new ATOM 0 HB2 ALA A 41 22.067 0.992 -6.237 1.00 0.00 H new ATOM 0 HB3 ALA A 41 22.773 2.585 -5.877 1.00 0.00 H new ATOM 599 N VAL A 42 26.358 1.004 -5.478 1.00 0.00 N ATOM 600 CA VAL A 42 27.670 1.618 -5.456 1.00 0.00 C ATOM 601 C VAL A 42 28.293 1.547 -6.844 1.00 0.00 C ATOM 602 O VAL A 42 28.333 0.483 -7.456 1.00 0.00 O ATOM 603 CB VAL A 42 28.548 0.904 -4.432 1.00 0.00 C ATOM 604 CG1 VAL A 42 28.608 -0.584 -4.762 1.00 0.00 C ATOM 605 CG2 VAL A 42 29.956 1.492 -4.473 1.00 0.00 C ATOM 0 H VAL A 42 26.355 0.031 -5.784 1.00 0.00 H new ATOM 0 HA VAL A 42 27.582 2.666 -5.170 1.00 0.00 H new ATOM 0 HB VAL A 42 28.127 1.037 -3.436 1.00 0.00 H new ATOM 0 HG11 VAL A 42 29.235 -1.094 -4.031 1.00 0.00 H new ATOM 0 HG12 VAL A 42 27.603 -1.004 -4.733 1.00 0.00 H new ATOM 0 HG13 VAL A 42 29.029 -0.719 -5.758 1.00 0.00 H new ATOM 0 HG21 VAL A 42 30.584 0.983 -3.742 1.00 0.00 H new ATOM 0 HG22 VAL A 42 30.377 1.358 -5.469 1.00 0.00 H new ATOM 0 HG23 VAL A 42 29.913 2.555 -4.237 1.00 0.00 H new ATOM 615 N TRP A 43 28.780 2.687 -7.339 1.00 0.00 N ATOM 616 CA TRP A 43 29.399 2.745 -8.648 1.00 0.00 C ATOM 617 C TRP A 43 30.888 3.027 -8.507 1.00 0.00 C ATOM 618 O TRP A 43 31.278 4.066 -7.980 1.00 0.00 O ATOM 619 CB TRP A 43 28.721 3.827 -9.483 1.00 0.00 C ATOM 620 CG TRP A 43 29.528 4.330 -10.637 1.00 0.00 C ATOM 621 CD1 TRP A 43 29.414 3.902 -11.913 1.00 0.00 C ATOM 622 CD2 TRP A 43 30.572 5.350 -10.650 1.00 0.00 C ATOM 623 NE1 TRP A 43 30.312 4.583 -12.709 1.00 0.00 N ATOM 624 CE2 TRP A 43 31.053 5.490 -11.979 1.00 0.00 C ATOM 625 CE3 TRP A 43 31.162 6.172 -9.673 1.00 0.00 C ATOM 626 CZ2 TRP A 43 32.063 6.393 -12.323 1.00 0.00 C ATOM 627 CZ3 TRP A 43 32.176 7.082 -10.006 1.00 0.00 C ATOM 628 CH2 TRP A 43 32.628 7.194 -11.326 1.00 0.00 C ATOM 0 H TRP A 43 28.753 3.579 -6.846 1.00 0.00 H new ATOM 0 HA TRP A 43 29.279 1.786 -9.152 1.00 0.00 H new ATOM 0 HB2 TRP A 43 27.777 3.435 -9.862 1.00 0.00 H new ATOM 0 HB3 TRP A 43 28.479 4.668 -8.834 1.00 0.00 H new ATOM 0 HD1 TRP A 43 28.726 3.144 -12.257 1.00 0.00 H new ATOM 0 HE1 TRP A 43 30.415 4.434 -13.713 1.00 0.00 H new ATOM 0 HE3 TRP A 43 30.828 6.101 -8.648 1.00 0.00 H new ATOM 0 HZ2 TRP A 43 32.402 6.471 -13.345 1.00 0.00 H new ATOM 0 HZ3 TRP A 43 32.612 7.702 -9.237 1.00 0.00 H new ATOM 0 HH2 TRP A 43 33.410 7.896 -11.573 1.00 0.00 H new ATOM 639 N ARG A 44 31.720 2.096 -8.980 1.00 0.00 N ATOM 640 CA ARG A 44 33.159 2.247 -8.904 1.00 0.00 C ATOM 641 C ARG A 44 33.712 2.611 -10.274 1.00 0.00 C ATOM 642 O ARG A 44 33.167 2.198 -11.295 1.00 0.00 O ATOM 643 CB ARG A 44 33.779 0.947 -8.398 1.00 0.00 C ATOM 644 CG ARG A 44 32.674 0.011 -7.916 1.00 0.00 C ATOM 645 CD ARG A 44 33.247 -0.967 -6.895 1.00 0.00 C ATOM 646 NE ARG A 44 34.697 -1.091 -7.040 1.00 0.00 N ATOM 647 CZ ARG A 44 35.278 -1.542 -8.161 1.00 0.00 C ATOM 648 NH1 ARG A 44 34.524 -1.902 -9.208 1.00 0.00 N ATOM 649 NH2 ARG A 44 36.613 -1.633 -8.233 1.00 0.00 N ATOM 0 H ARG A 44 31.411 1.229 -9.420 1.00 0.00 H new ATOM 0 HA ARG A 44 33.409 3.049 -8.209 1.00 0.00 H new ATOM 0 HB2 ARG A 44 34.352 0.471 -9.194 1.00 0.00 H new ATOM 0 HB3 ARG A 44 34.474 1.155 -7.585 1.00 0.00 H new ATOM 0 HG2 ARG A 44 31.864 0.587 -7.469 1.00 0.00 H new ATOM 0 HG3 ARG A 44 32.250 -0.534 -8.760 1.00 0.00 H new ATOM 0 HD2 ARG A 44 33.007 -0.628 -5.887 1.00 0.00 H new ATOM 0 HD3 ARG A 44 32.781 -1.944 -7.022 1.00 0.00 H new ATOM 0 HE ARG A 44 35.291 -0.823 -6.255 1.00 0.00 H new ATOM 0 HH11 ARG A 44 33.508 -1.833 -9.152 1.00 0.00 H new ATOM 0 HH12 ARG A 44 34.966 -2.245 -10.061 1.00 0.00 H new ATOM 0 HH21 ARG A 44 37.187 -1.359 -7.435 1.00 0.00 H new ATOM 0 HH22 ARG A 44 37.056 -1.976 -9.086 1.00 0.00 H new ATOM 663 N ARG A 45 34.799 3.386 -10.293 1.00 0.00 N ATOM 664 CA ARG A 45 35.420 3.801 -11.535 1.00 0.00 C ATOM 665 C ARG A 45 36.935 3.776 -11.387 1.00 0.00 C ATOM 666 O ARG A 45 37.506 4.610 -10.690 1.00 0.00 O ATOM 667 CB ARG A 45 34.936 5.201 -11.901 1.00 0.00 C ATOM 668 CG ARG A 45 35.964 5.875 -12.804 1.00 0.00 C ATOM 669 CD ARG A 45 35.257 6.841 -13.750 1.00 0.00 C ATOM 670 NE ARG A 45 35.606 6.560 -15.144 1.00 0.00 N ATOM 671 CZ ARG A 45 36.620 7.168 -15.773 1.00 0.00 C ATOM 672 NH1 ARG A 45 37.366 8.073 -15.125 1.00 0.00 N ATOM 673 NH2 ARG A 45 36.890 6.869 -17.052 1.00 0.00 N ATOM 0 H ARG A 45 35.262 3.735 -9.454 1.00 0.00 H new ATOM 0 HA ARG A 45 35.141 3.114 -12.334 1.00 0.00 H new ATOM 0 HB2 ARG A 45 33.973 5.143 -12.408 1.00 0.00 H new ATOM 0 HB3 ARG A 45 34.786 5.793 -10.998 1.00 0.00 H new ATOM 0 HG2 ARG A 45 36.697 6.411 -12.201 1.00 0.00 H new ATOM 0 HG3 ARG A 45 36.509 5.124 -13.375 1.00 0.00 H new ATOM 0 HD2 ARG A 45 34.178 6.760 -13.618 1.00 0.00 H new ATOM 0 HD3 ARG A 45 35.533 7.866 -13.502 1.00 0.00 H new ATOM 0 HE ARG A 45 35.054 5.873 -15.657 1.00 0.00 H new ATOM 0 HH11 ARG A 45 37.162 8.299 -14.152 1.00 0.00 H new ATOM 0 HH12 ARG A 45 38.138 8.535 -15.605 1.00 0.00 H new ATOM 0 HH21 ARG A 45 36.323 6.179 -17.545 1.00 0.00 H new ATOM 0 HH22 ARG A 45 37.662 7.332 -17.532 1.00 0.00 H new ATOM 687 N ASN A 46 37.584 2.815 -12.049 1.00 0.00 N ATOM 688 CA ASN A 46 39.026 2.688 -11.988 1.00 0.00 C ATOM 689 C ASN A 46 39.637 3.072 -13.328 1.00 0.00 C ATOM 690 O ASN A 46 39.206 2.588 -14.373 1.00 0.00 O ATOM 691 CB ASN A 46 39.393 1.254 -11.617 1.00 0.00 C ATOM 692 CG ASN A 46 38.784 0.265 -12.600 1.00 0.00 C ATOM 693 OD1 ASN A 46 37.771 -0.364 -12.302 1.00 0.00 O ATOM 694 ND2 ASN A 46 39.402 0.130 -13.775 1.00 0.00 N ATOM 0 H ASN A 46 37.124 2.116 -12.633 1.00 0.00 H new ATOM 0 HA ASN A 46 39.422 3.360 -11.227 1.00 0.00 H new ATOM 0 HB2 ASN A 46 40.477 1.143 -11.608 1.00 0.00 H new ATOM 0 HB3 ASN A 46 39.042 1.034 -10.609 1.00 0.00 H new ATOM 0 HD21 ASN A 46 39.036 -0.518 -14.472 1.00 0.00 H new ATOM 0 HD22 ASN A 46 40.241 0.675 -13.976 1.00 0.00 H new ATOM 701 N ASP A 47 40.647 3.944 -13.295 1.00 0.00 N ATOM 702 CA ASP A 47 41.313 4.389 -14.503 1.00 0.00 C ATOM 703 C ASP A 47 40.280 4.687 -15.579 1.00 0.00 C ATOM 704 O ASP A 47 39.672 5.756 -15.581 1.00 0.00 O ATOM 705 CB ASP A 47 42.287 3.312 -14.972 1.00 0.00 C ATOM 706 CG ASP A 47 43.599 3.394 -14.204 1.00 0.00 C ATOM 707 OD1 ASP A 47 43.544 3.219 -12.967 1.00 0.00 O ATOM 708 OD2 ASP A 47 44.631 3.629 -14.868 1.00 0.00 O ATOM 0 H ASP A 47 41.017 4.353 -12.437 1.00 0.00 H new ATOM 0 HA ASP A 47 41.872 5.302 -14.300 1.00 0.00 H new ATOM 0 HB2 ASP A 47 41.841 2.327 -14.833 1.00 0.00 H new ATOM 0 HB3 ASP A 47 42.478 3.428 -16.039 1.00 0.00 H new ATOM 713 N GLU A 48 40.081 3.740 -16.499 1.00 0.00 N ATOM 714 CA GLU A 48 39.123 3.909 -17.573 1.00 0.00 C ATOM 715 C GLU A 48 38.075 2.808 -17.511 1.00 0.00 C ATOM 716 O GLU A 48 37.319 2.611 -18.461 1.00 0.00 O ATOM 717 CB GLU A 48 39.854 3.886 -18.913 1.00 0.00 C ATOM 718 CG GLU A 48 40.504 2.520 -19.114 1.00 0.00 C ATOM 719 CD GLU A 48 41.885 2.663 -19.738 1.00 0.00 C ATOM 720 OE1 GLU A 48 42.778 3.170 -19.027 1.00 0.00 O ATOM 721 OE2 GLU A 48 42.020 2.263 -20.914 1.00 0.00 O ATOM 0 H GLU A 48 40.577 2.849 -16.514 1.00 0.00 H new ATOM 0 HA GLU A 48 38.617 4.868 -17.465 1.00 0.00 H new ATOM 0 HB2 GLU A 48 39.155 4.091 -19.724 1.00 0.00 H new ATOM 0 HB3 GLU A 48 40.612 4.669 -18.939 1.00 0.00 H new ATOM 0 HG2 GLU A 48 40.585 2.007 -18.156 1.00 0.00 H new ATOM 0 HG3 GLU A 48 39.873 1.903 -19.754 1.00 0.00 H new ATOM 728 N ASN A 49 38.030 2.088 -16.387 1.00 0.00 N ATOM 729 CA ASN A 49 37.075 1.013 -16.207 1.00 0.00 C ATOM 730 C ASN A 49 36.235 1.268 -14.964 1.00 0.00 C ATOM 731 O ASN A 49 36.767 1.370 -13.860 1.00 0.00 O ATOM 732 CB ASN A 49 37.821 -0.313 -16.092 1.00 0.00 C ATOM 733 CG ASN A 49 39.247 -0.181 -16.605 1.00 0.00 C ATOM 734 OD1 ASN A 49 40.012 0.646 -16.111 1.00 0.00 O ATOM 735 ND2 ASN A 49 39.605 -0.998 -17.599 1.00 0.00 N ATOM 0 H ASN A 49 38.650 2.238 -15.591 1.00 0.00 H new ATOM 0 HA ASN A 49 36.407 0.968 -17.067 1.00 0.00 H new ATOM 0 HB2 ASN A 49 37.833 -0.639 -15.052 1.00 0.00 H new ATOM 0 HB3 ASN A 49 37.296 -1.081 -16.660 1.00 0.00 H new ATOM 0 HD21 ASN A 49 40.549 -0.952 -17.982 1.00 0.00 H new ATOM 0 HD22 ASN A 49 38.934 -1.668 -17.976 1.00 0.00 H new ATOM 742 N VAL A 50 34.916 1.372 -15.146 1.00 0.00 N ATOM 743 CA VAL A 50 34.009 1.614 -14.043 1.00 0.00 C ATOM 744 C VAL A 50 33.008 0.472 -13.940 1.00 0.00 C ATOM 745 O VAL A 50 32.498 -0.005 -14.952 1.00 0.00 O ATOM 746 CB VAL A 50 33.291 2.944 -14.258 1.00 0.00 C ATOM 747 CG1 VAL A 50 34.316 4.031 -14.565 1.00 0.00 C ATOM 748 CG2 VAL A 50 32.321 2.815 -15.428 1.00 0.00 C ATOM 0 H VAL A 50 34.460 1.291 -16.055 1.00 0.00 H new ATOM 0 HA VAL A 50 34.570 1.666 -13.110 1.00 0.00 H new ATOM 0 HB VAL A 50 32.739 3.209 -13.356 1.00 0.00 H new ATOM 0 HG11 VAL A 50 33.804 4.981 -14.719 1.00 0.00 H new ATOM 0 HG12 VAL A 50 35.010 4.124 -13.729 1.00 0.00 H new ATOM 0 HG13 VAL A 50 34.868 3.766 -15.467 1.00 0.00 H new ATOM 0 HG21 VAL A 50 31.808 3.764 -15.582 1.00 0.00 H new ATOM 0 HG22 VAL A 50 32.872 2.550 -16.330 1.00 0.00 H new ATOM 0 HG23 VAL A 50 31.588 2.038 -15.209 1.00 0.00 H new ATOM 758 N THR A 51 32.725 0.033 -12.712 1.00 0.00 N ATOM 759 CA THR A 51 31.788 -1.049 -12.487 1.00 0.00 C ATOM 760 C THR A 51 30.623 -0.558 -11.639 1.00 0.00 C ATOM 761 O THR A 51 30.784 0.343 -10.819 1.00 0.00 O ATOM 762 CB THR A 51 32.505 -2.209 -11.800 1.00 0.00 C ATOM 763 OG1 THR A 51 32.308 -2.123 -10.407 1.00 0.00 O ATOM 764 CG2 THR A 51 33.998 -2.138 -12.110 1.00 0.00 C ATOM 0 H THR A 51 33.137 0.417 -11.861 1.00 0.00 H new ATOM 0 HA THR A 51 31.394 -1.396 -13.442 1.00 0.00 H new ATOM 0 HB THR A 51 32.103 -3.154 -12.165 1.00 0.00 H new ATOM 0 HG1 THR A 51 31.385 -2.372 -10.191 1.00 0.00 H new ATOM 0 HG21 THR A 51 34.511 -2.966 -11.620 1.00 0.00 H new ATOM 0 HG22 THR A 51 34.149 -2.204 -13.187 1.00 0.00 H new ATOM 0 HG23 THR A 51 34.401 -1.194 -11.744 1.00 0.00 H new ATOM 772 N LEU A 52 29.446 -1.155 -11.841 1.00 0.00 N ATOM 773 CA LEU A 52 28.260 -0.779 -11.097 1.00 0.00 C ATOM 774 C LEU A 52 27.715 -1.987 -10.349 1.00 0.00 C ATOM 775 O LEU A 52 27.402 -3.008 -10.956 1.00 0.00 O ATOM 776 CB LEU A 52 27.214 -0.221 -12.057 1.00 0.00 C ATOM 777 CG LEU A 52 25.892 -0.038 -11.318 1.00 0.00 C ATOM 778 CD1 LEU A 52 25.190 -1.387 -11.189 1.00 0.00 C ATOM 779 CD2 LEU A 52 26.160 0.532 -9.929 1.00 0.00 C ATOM 0 H LEU A 52 29.297 -1.903 -12.518 1.00 0.00 H new ATOM 0 HA LEU A 52 28.513 -0.009 -10.368 1.00 0.00 H new ATOM 0 HB2 LEU A 52 27.550 0.733 -12.464 1.00 0.00 H new ATOM 0 HB3 LEU A 52 27.081 -0.898 -12.900 1.00 0.00 H new ATOM 0 HG LEU A 52 25.256 0.650 -11.876 1.00 0.00 H new ATOM 0 HD11 LEU A 52 24.245 -1.257 -10.661 1.00 0.00 H new ATOM 0 HD12 LEU A 52 24.998 -1.793 -12.182 1.00 0.00 H new ATOM 0 HD13 LEU A 52 25.825 -2.076 -10.632 1.00 0.00 H new ATOM 0 HD21 LEU A 52 25.215 0.663 -9.401 1.00 0.00 H new ATOM 0 HD22 LEU A 52 26.796 -0.155 -9.370 1.00 0.00 H new ATOM 0 HD23 LEU A 52 26.660 1.496 -10.022 1.00 0.00 H new ATOM 791 N GLU A 53 27.601 -1.868 -9.024 1.00 0.00 N ATOM 792 CA GLU A 53 27.094 -2.949 -8.202 1.00 0.00 C ATOM 793 C GLU A 53 25.823 -2.507 -7.489 1.00 0.00 C ATOM 794 O GLU A 53 25.818 -1.496 -6.790 1.00 0.00 O ATOM 795 CB GLU A 53 28.162 -3.364 -7.195 1.00 0.00 C ATOM 796 CG GLU A 53 28.018 -4.851 -6.886 1.00 0.00 C ATOM 797 CD GLU A 53 28.892 -5.248 -5.705 1.00 0.00 C ATOM 798 OE1 GLU A 53 29.387 -4.320 -5.028 1.00 0.00 O ATOM 799 OE2 GLU A 53 29.050 -6.471 -5.500 1.00 0.00 O ATOM 0 H GLU A 53 27.856 -1.028 -8.504 1.00 0.00 H new ATOM 0 HA GLU A 53 26.853 -3.806 -8.831 1.00 0.00 H new ATOM 0 HB2 GLU A 53 29.155 -3.159 -7.596 1.00 0.00 H new ATOM 0 HB3 GLU A 53 28.061 -2.780 -6.280 1.00 0.00 H new ATOM 0 HG2 GLU A 53 26.976 -5.081 -6.666 1.00 0.00 H new ATOM 0 HG3 GLU A 53 28.296 -5.437 -7.762 1.00 0.00 H new ATOM 806 N THR A 54 24.742 -3.270 -7.669 1.00 0.00 N ATOM 807 CA THR A 54 23.475 -2.954 -7.041 1.00 0.00 C ATOM 808 C THR A 54 22.928 -4.183 -6.331 1.00 0.00 C ATOM 809 O THR A 54 22.823 -5.253 -6.925 1.00 0.00 O ATOM 810 CB THR A 54 22.494 -2.460 -8.101 1.00 0.00 C ATOM 811 OG1 THR A 54 23.089 -2.559 -9.375 1.00 0.00 O ATOM 812 CG2 THR A 54 22.133 -1.004 -7.820 1.00 0.00 C ATOM 0 H THR A 54 24.728 -4.110 -8.247 1.00 0.00 H new ATOM 0 HA THR A 54 23.618 -2.167 -6.300 1.00 0.00 H new ATOM 0 HB THR A 54 21.591 -3.070 -8.073 1.00 0.00 H new ATOM 0 HG1 THR A 54 23.323 -3.493 -9.555 1.00 0.00 H new ATOM 0 HG21 THR A 54 21.432 -0.650 -8.576 1.00 0.00 H new ATOM 0 HG22 THR A 54 21.673 -0.927 -6.835 1.00 0.00 H new ATOM 0 HG23 THR A 54 23.036 -0.394 -7.848 1.00 0.00 H new ATOM 820 N ILE A 55 22.578 -4.026 -5.052 1.00 0.00 N ATOM 821 CA ILE A 55 22.040 -5.117 -4.264 1.00 0.00 C ATOM 822 C ILE A 55 21.422 -4.573 -2.984 1.00 0.00 C ATOM 823 O ILE A 55 21.491 -3.374 -2.721 1.00 0.00 O ATOM 824 CB ILE A 55 23.155 -6.110 -3.947 1.00 0.00 C ATOM 825 CG1 ILE A 55 24.481 -5.366 -3.822 1.00 0.00 C ATOM 826 CG2 ILE A 55 23.253 -7.140 -5.069 1.00 0.00 C ATOM 827 CD1 ILE A 55 25.183 -5.790 -2.536 1.00 0.00 C ATOM 0 H ILE A 55 22.662 -3.145 -4.545 1.00 0.00 H new ATOM 0 HA ILE A 55 21.262 -5.631 -4.829 1.00 0.00 H new ATOM 0 HB ILE A 55 22.934 -6.616 -3.007 1.00 0.00 H new ATOM 0 HG12 ILE A 55 25.114 -5.582 -4.683 1.00 0.00 H new ATOM 0 HG13 ILE A 55 24.307 -4.290 -3.816 1.00 0.00 H new ATOM 0 HG21 ILE A 55 24.049 -7.849 -4.843 1.00 0.00 H new ATOM 0 HG22 ILE A 55 22.306 -7.673 -5.157 1.00 0.00 H new ATOM 0 HG23 ILE A 55 23.474 -6.634 -6.009 1.00 0.00 H new ATOM 0 HD11 ILE A 55 26.130 -5.259 -2.446 1.00 0.00 H new ATOM 0 HD12 ILE A 55 24.551 -5.551 -1.681 1.00 0.00 H new ATOM 0 HD13 ILE A 55 25.370 -6.864 -2.561 1.00 0.00 H new ATOM 839 N CYS A 56 20.816 -5.456 -2.188 1.00 0.00 N ATOM 840 CA CYS A 56 20.189 -5.061 -0.943 1.00 0.00 C ATOM 841 C CYS A 56 21.199 -5.150 0.192 1.00 0.00 C ATOM 842 O CYS A 56 21.322 -6.187 0.839 1.00 0.00 O ATOM 843 CB CYS A 56 18.989 -5.963 -0.670 1.00 0.00 C ATOM 844 SG CYS A 56 17.444 -5.064 -0.382 1.00 0.00 S ATOM 0 H CYS A 56 20.751 -6.453 -2.393 1.00 0.00 H new ATOM 0 HA CYS A 56 19.843 -4.030 -1.016 1.00 0.00 H new ATOM 0 HB2 CYS A 56 18.853 -6.636 -1.516 1.00 0.00 H new ATOM 0 HB3 CYS A 56 19.204 -6.584 0.200 1.00 0.00 H new ATOM 849 N HIS A 57 21.926 -4.057 0.434 1.00 0.00 N ATOM 850 CA HIS A 57 22.921 -4.019 1.486 1.00 0.00 C ATOM 851 C HIS A 57 22.480 -3.063 2.585 1.00 0.00 C ATOM 852 O HIS A 57 21.894 -2.020 2.306 1.00 0.00 O ATOM 853 CB HIS A 57 24.263 -3.588 0.902 1.00 0.00 C ATOM 854 CG HIS A 57 25.145 -2.909 1.912 1.00 0.00 C ATOM 855 ND1 HIS A 57 26.113 -3.512 2.681 1.00 0.00 N ATOM 856 CD2 HIS A 57 25.129 -1.578 2.232 1.00 0.00 C ATOM 857 CE1 HIS A 57 26.667 -2.558 3.449 1.00 0.00 C ATOM 858 NE2 HIS A 57 26.101 -1.362 3.212 1.00 0.00 N ATOM 0 H HIS A 57 21.837 -3.187 -0.092 1.00 0.00 H new ATOM 0 HA HIS A 57 23.030 -5.013 1.921 1.00 0.00 H new ATOM 0 HB2 HIS A 57 24.779 -4.462 0.505 1.00 0.00 H new ATOM 0 HB3 HIS A 57 24.090 -2.912 0.065 1.00 0.00 H new ATOM 0 HD2 HIS A 57 24.480 -0.828 1.803 1.00 0.00 H new ATOM 0 HE1 HIS A 57 27.461 -2.729 4.161 1.00 0.00 H new ATOM 0 HE2 HIS A 57 26.334 -0.475 3.658 1.00 0.00 H new ATOM 866 N ASP A 58 22.765 -3.421 3.839 1.00 0.00 N ATOM 867 CA ASP A 58 22.397 -2.597 4.972 1.00 0.00 C ATOM 868 C ASP A 58 23.359 -1.423 5.089 1.00 0.00 C ATOM 869 O ASP A 58 24.572 -1.616 5.127 1.00 0.00 O ATOM 870 CB ASP A 58 22.417 -3.441 6.243 1.00 0.00 C ATOM 871 CG ASP A 58 21.013 -3.611 6.806 1.00 0.00 C ATOM 872 OD1 ASP A 58 20.477 -2.600 7.310 1.00 0.00 O ATOM 873 OD2 ASP A 58 20.501 -4.748 6.720 1.00 0.00 O ATOM 0 H ASP A 58 23.252 -4.282 4.087 1.00 0.00 H new ATOM 0 HA ASP A 58 21.390 -2.204 4.829 1.00 0.00 H new ATOM 0 HB2 ASP A 58 22.847 -4.419 6.028 1.00 0.00 H new ATOM 0 HB3 ASP A 58 23.057 -2.968 6.988 1.00 0.00 H new ATOM 878 N PRO A 59 22.814 -0.205 5.146 1.00 0.00 N ATOM 879 CA PRO A 59 23.573 1.022 5.259 1.00 0.00 C ATOM 880 C PRO A 59 24.151 1.138 6.662 1.00 0.00 C ATOM 881 O PRO A 59 24.483 2.233 7.110 1.00 0.00 O ATOM 882 CB PRO A 59 22.559 2.133 4.990 1.00 0.00 C ATOM 883 CG PRO A 59 21.251 1.527 5.491 1.00 0.00 C ATOM 884 CD PRO A 59 21.393 0.056 5.103 1.00 0.00 C ATOM 0 HA PRO A 59 24.413 1.068 4.565 1.00 0.00 H new ATOM 0 HB2 PRO A 59 22.811 3.049 5.525 1.00 0.00 H new ATOM 0 HB3 PRO A 59 22.508 2.386 3.931 1.00 0.00 H new ATOM 0 HG2 PRO A 59 21.133 1.652 6.567 1.00 0.00 H new ATOM 0 HG3 PRO A 59 20.384 1.989 5.019 1.00 0.00 H new ATOM 0 HD2 PRO A 59 20.852 -0.589 5.795 1.00 0.00 H new ATOM 0 HD3 PRO A 59 20.987 -0.131 4.109 1.00 0.00 H new ATOM 892 N GLN A 60 24.266 0.004 7.357 1.00 0.00 N ATOM 893 CA GLN A 60 24.799 -0.016 8.705 1.00 0.00 C ATOM 894 C GLN A 60 26.255 -0.458 8.677 1.00 0.00 C ATOM 895 O GLN A 60 27.083 0.076 9.412 1.00 0.00 O ATOM 896 CB GLN A 60 23.963 -0.957 9.567 1.00 0.00 C ATOM 897 CG GLN A 60 23.945 -0.449 11.006 1.00 0.00 C ATOM 898 CD GLN A 60 22.577 -0.655 11.637 1.00 0.00 C ATOM 899 OE1 GLN A 60 21.690 0.182 11.489 1.00 0.00 O ATOM 900 NE2 GLN A 60 22.407 -1.774 12.346 1.00 0.00 N ATOM 0 H GLN A 60 23.994 -0.912 6.999 1.00 0.00 H new ATOM 0 HA GLN A 60 24.753 0.985 9.134 1.00 0.00 H new ATOM 0 HB2 GLN A 60 22.946 -1.016 9.178 1.00 0.00 H new ATOM 0 HB3 GLN A 60 24.377 -1.965 9.531 1.00 0.00 H new ATOM 0 HG2 GLN A 60 24.702 -0.972 11.590 1.00 0.00 H new ATOM 0 HG3 GLN A 60 24.203 0.610 11.025 1.00 0.00 H new ATOM 0 HE21 GLN A 60 23.174 -2.440 12.440 1.00 0.00 H new ATOM 0 HE22 GLN A 60 21.510 -1.963 12.793 1.00 0.00 H new ATOM 909 N LYS A 61 26.566 -1.439 7.827 1.00 0.00 N ATOM 910 CA LYS A 61 27.917 -1.947 7.710 1.00 0.00 C ATOM 911 C LYS A 61 28.716 -1.081 6.745 1.00 0.00 C ATOM 912 O LYS A 61 28.160 -0.523 5.802 1.00 0.00 O ATOM 913 CB LYS A 61 27.876 -3.394 7.226 1.00 0.00 C ATOM 914 CG LYS A 61 27.092 -4.241 8.225 1.00 0.00 C ATOM 915 CD LYS A 61 27.555 -5.693 8.134 1.00 0.00 C ATOM 916 CE LYS A 61 26.745 -6.419 7.064 1.00 0.00 C ATOM 917 NZ LYS A 61 25.645 -7.189 7.665 1.00 0.00 N ATOM 0 H LYS A 61 25.891 -1.893 7.211 1.00 0.00 H new ATOM 0 HA LYS A 61 28.404 -1.915 8.684 1.00 0.00 H new ATOM 0 HB2 LYS A 61 27.409 -3.447 6.242 1.00 0.00 H new ATOM 0 HB3 LYS A 61 28.889 -3.782 7.119 1.00 0.00 H new ATOM 0 HG2 LYS A 61 27.243 -3.863 9.236 1.00 0.00 H new ATOM 0 HG3 LYS A 61 26.024 -4.175 8.016 1.00 0.00 H new ATOM 0 HD2 LYS A 61 28.617 -5.733 7.891 1.00 0.00 H new ATOM 0 HD3 LYS A 61 27.430 -6.187 9.098 1.00 0.00 H new ATOM 0 HE2 LYS A 61 26.342 -5.696 6.355 1.00 0.00 H new ATOM 0 HE3 LYS A 61 27.396 -7.088 6.501 1.00 0.00 H new ATOM 0 HZ1 LYS A 61 25.110 -7.673 6.916 1.00 0.00 H new ATOM 0 HZ2 LYS A 61 26.034 -7.894 8.323 1.00 0.00 H new ATOM 0 HZ3 LYS A 61 25.012 -6.545 8.181 1.00 0.00 H new ATOM 931 N ARG A 62 30.024 -0.967 6.986 1.00 0.00 N ATOM 932 CA ARG A 62 30.891 -0.170 6.143 1.00 0.00 C ATOM 933 C ARG A 62 31.328 -0.986 4.935 1.00 0.00 C ATOM 934 O ARG A 62 32.052 -1.970 5.077 1.00 0.00 O ATOM 935 CB ARG A 62 32.101 0.291 6.951 1.00 0.00 C ATOM 936 CG ARG A 62 31.845 1.693 7.495 1.00 0.00 C ATOM 937 CD ARG A 62 30.576 1.687 8.343 1.00 0.00 C ATOM 938 NE ARG A 62 30.649 2.689 9.407 1.00 0.00 N ATOM 939 CZ ARG A 62 29.968 2.578 10.555 1.00 0.00 C ATOM 940 NH1 ARG A 62 29.180 1.516 10.768 1.00 0.00 N ATOM 941 NH2 ARG A 62 30.076 3.530 11.492 1.00 0.00 N ATOM 0 H ARG A 62 30.500 -1.423 7.765 1.00 0.00 H new ATOM 0 HA ARG A 62 30.352 0.708 5.787 1.00 0.00 H new ATOM 0 HB2 ARG A 62 32.288 -0.401 7.772 1.00 0.00 H new ATOM 0 HB3 ARG A 62 32.992 0.290 6.324 1.00 0.00 H new ATOM 0 HG2 ARG A 62 32.694 2.023 8.094 1.00 0.00 H new ATOM 0 HG3 ARG A 62 31.742 2.400 6.672 1.00 0.00 H new ATOM 0 HD2 ARG A 62 29.711 1.886 7.710 1.00 0.00 H new ATOM 0 HD3 ARG A 62 30.431 0.699 8.779 1.00 0.00 H new ATOM 0 HE ARG A 62 31.243 3.506 9.269 1.00 0.00 H new ATOM 0 HH11 ARG A 62 29.098 0.791 10.056 1.00 0.00 H new ATOM 0 HH12 ARG A 62 28.662 1.433 11.643 1.00 0.00 H new ATOM 0 HH21 ARG A 62 30.677 4.339 11.331 1.00 0.00 H new ATOM 0 HH22 ARG A 62 29.558 3.446 12.366 1.00 0.00 H new ATOM 955 N LEU A 63 30.888 -0.575 3.744 1.00 0.00 N ATOM 956 CA LEU A 63 31.235 -1.267 2.519 1.00 0.00 C ATOM 957 C LEU A 63 32.346 -0.517 1.799 1.00 0.00 C ATOM 958 O LEU A 63 32.309 0.707 1.699 1.00 0.00 O ATOM 959 CB LEU A 63 29.998 -1.383 1.633 1.00 0.00 C ATOM 960 CG LEU A 63 30.390 -1.990 0.290 1.00 0.00 C ATOM 961 CD1 LEU A 63 30.399 -3.512 0.401 1.00 0.00 C ATOM 962 CD2 LEU A 63 29.383 -1.564 -0.775 1.00 0.00 C ATOM 0 H LEU A 63 30.288 0.239 3.611 1.00 0.00 H new ATOM 0 HA LEU A 63 31.594 -2.269 2.753 1.00 0.00 H new ATOM 0 HB2 LEU A 63 29.246 -2.004 2.119 1.00 0.00 H new ATOM 0 HB3 LEU A 63 29.551 -0.400 1.483 1.00 0.00 H new ATOM 0 HG LEU A 63 31.384 -1.641 0.011 1.00 0.00 H new ATOM 0 HD11 LEU A 63 30.679 -3.945 -0.559 1.00 0.00 H new ATOM 0 HD12 LEU A 63 31.119 -3.817 1.161 1.00 0.00 H new ATOM 0 HD13 LEU A 63 29.406 -3.862 0.681 1.00 0.00 H new ATOM 0 HD21 LEU A 63 29.663 -1.998 -1.735 1.00 0.00 H new ATOM 0 HD22 LEU A 63 28.389 -1.912 -0.496 1.00 0.00 H new ATOM 0 HD23 LEU A 63 29.377 -0.477 -0.856 1.00 0.00 H new ATOM 974 N TYR A 64 33.337 -1.256 1.295 1.00 0.00 N ATOM 975 CA TYR A 64 34.452 -0.657 0.589 1.00 0.00 C ATOM 976 C TYR A 64 35.046 0.469 1.423 1.00 0.00 C ATOM 977 O TYR A 64 35.697 1.364 0.889 1.00 0.00 O ATOM 978 CB TYR A 64 33.974 -0.136 -0.763 1.00 0.00 C ATOM 979 CG TYR A 64 33.475 -1.223 -1.686 1.00 0.00 C ATOM 980 CD1 TYR A 64 34.330 -2.263 -2.070 1.00 0.00 C ATOM 981 CD2 TYR A 64 32.157 -1.189 -2.158 1.00 0.00 C ATOM 982 CE1 TYR A 64 33.868 -3.269 -2.925 1.00 0.00 C ATOM 983 CE2 TYR A 64 31.695 -2.195 -3.014 1.00 0.00 C ATOM 984 CZ TYR A 64 32.550 -3.236 -3.398 1.00 0.00 C ATOM 985 OH TYR A 64 32.099 -4.216 -4.232 1.00 0.00 O ATOM 0 H TYR A 64 33.382 -2.272 1.367 1.00 0.00 H new ATOM 0 HA TYR A 64 35.227 -1.405 0.422 1.00 0.00 H new ATOM 0 HB2 TYR A 64 33.175 0.588 -0.603 1.00 0.00 H new ATOM 0 HB3 TYR A 64 34.793 0.395 -1.249 1.00 0.00 H new ATOM 0 HD1 TYR A 64 35.346 -2.289 -1.706 1.00 0.00 H new ATOM 0 HD2 TYR A 64 31.497 -0.387 -1.862 1.00 0.00 H new ATOM 0 HE1 TYR A 64 34.528 -4.071 -3.221 1.00 0.00 H new ATOM 0 HE2 TYR A 64 30.679 -2.169 -3.379 1.00 0.00 H new ATOM 0 HH TYR A 64 31.141 -4.092 -4.395 1.00 0.00 H new ATOM 995 N GLY A 65 34.821 0.422 2.738 1.00 0.00 N ATOM 996 CA GLY A 65 35.336 1.438 3.634 1.00 0.00 C ATOM 997 C GLY A 65 34.477 2.693 3.558 1.00 0.00 C ATOM 998 O GLY A 65 34.901 3.768 3.973 1.00 0.00 O ATOM 0 H GLY A 65 34.284 -0.313 3.198 1.00 0.00 H new ATOM 0 HA2 GLY A 65 35.349 1.059 4.656 1.00 0.00 H new ATOM 0 HA3 GLY A 65 36.366 1.677 3.370 1.00 0.00 H new ATOM 1002 N HIS A 66 33.261 2.552 3.023 1.00 0.00 N ATOM 1003 CA HIS A 66 32.352 3.673 2.893 1.00 0.00 C ATOM 1004 C HIS A 66 31.051 3.374 3.625 1.00 0.00 C ATOM 1005 O HIS A 66 30.514 2.274 3.520 1.00 0.00 O ATOM 1006 CB HIS A 66 32.090 3.945 1.414 1.00 0.00 C ATOM 1007 CG HIS A 66 33.322 3.784 0.567 1.00 0.00 C ATOM 1008 ND1 HIS A 66 34.610 4.092 0.943 1.00 0.00 N ATOM 1009 CD2 HIS A 66 33.364 3.308 -0.715 1.00 0.00 C ATOM 1010 CE1 HIS A 66 35.410 3.803 -0.099 1.00 0.00 C ATOM 1011 NE2 HIS A 66 34.698 3.323 -1.133 1.00 0.00 N ATOM 0 H HIS A 66 32.891 1.667 2.675 1.00 0.00 H new ATOM 0 HA HIS A 66 32.799 4.561 3.340 1.00 0.00 H new ATOM 0 HB2 HIS A 66 31.316 3.266 1.055 1.00 0.00 H new ATOM 0 HB3 HIS A 66 31.704 4.958 1.298 1.00 0.00 H new ATOM 0 HD1 HIS A 66 34.903 4.469 1.844 1.00 0.00 H new ATOM 0 HD2 HIS A 66 32.518 2.979 -1.300 1.00 0.00 H new ATOM 0 HE1 HIS A 66 36.481 3.939 -0.104 1.00 0.00 H new ATOM 1019 N MET A 67 30.545 4.360 4.369 1.00 0.00 N ATOM 1020 CA MET A 67 29.313 4.197 5.115 1.00 0.00 C ATOM 1021 C MET A 67 28.269 5.184 4.612 1.00 0.00 C ATOM 1022 O MET A 67 28.416 6.392 4.787 1.00 0.00 O ATOM 1023 CB MET A 67 29.587 4.411 6.601 1.00 0.00 C ATOM 1024 CG MET A 67 30.408 5.684 6.789 1.00 0.00 C ATOM 1025 SD MET A 67 30.887 6.002 8.505 1.00 0.00 S ATOM 1026 CE MET A 67 29.850 7.449 8.831 1.00 0.00 C ATOM 0 H MET A 67 30.977 5.279 4.466 1.00 0.00 H new ATOM 0 HA MET A 67 28.928 3.187 4.971 1.00 0.00 H new ATOM 0 HB2 MET A 67 28.647 4.488 7.148 1.00 0.00 H new ATOM 0 HB3 MET A 67 30.124 3.555 7.010 1.00 0.00 H new ATOM 0 HG2 MET A 67 31.308 5.618 6.177 1.00 0.00 H new ATOM 0 HG3 MET A 67 29.833 6.533 6.419 1.00 0.00 H new ATOM 0 HE1 MET A 67 30.012 7.790 9.854 1.00 0.00 H new ATOM 0 HE2 MET A 67 30.111 8.248 8.137 1.00 0.00 H new ATOM 0 HE3 MET A 67 28.801 7.182 8.700 1.00 0.00 H new ATOM 1036 N LEU A 68 27.210 4.666 3.987 1.00 0.00 N ATOM 1037 CA LEU A 68 26.147 5.500 3.463 1.00 0.00 C ATOM 1038 C LEU A 68 25.025 5.609 4.485 1.00 0.00 C ATOM 1039 O LEU A 68 24.410 4.607 4.846 1.00 0.00 O ATOM 1040 CB LEU A 68 25.631 4.904 2.156 1.00 0.00 C ATOM 1041 CG LEU A 68 25.999 3.424 2.091 1.00 0.00 C ATOM 1042 CD1 LEU A 68 25.150 2.644 3.089 1.00 0.00 C ATOM 1043 CD2 LEU A 68 25.742 2.898 0.682 1.00 0.00 C ATOM 0 H LEU A 68 27.073 3.667 3.835 1.00 0.00 H new ATOM 0 HA LEU A 68 26.530 6.501 3.265 1.00 0.00 H new ATOM 0 HB2 LEU A 68 24.550 5.024 2.091 1.00 0.00 H new ATOM 0 HB3 LEU A 68 26.062 5.434 1.307 1.00 0.00 H new ATOM 0 HG LEU A 68 27.053 3.300 2.338 1.00 0.00 H new ATOM 0 HD11 LEU A 68 25.413 1.587 3.043 1.00 0.00 H new ATOM 0 HD12 LEU A 68 25.334 3.020 4.095 1.00 0.00 H new ATOM 0 HD13 LEU A 68 24.095 2.767 2.843 1.00 0.00 H new ATOM 0 HD21 LEU A 68 26.005 1.841 0.635 1.00 0.00 H new ATOM 0 HD22 LEU A 68 24.688 3.021 0.434 1.00 0.00 H new ATOM 0 HD23 LEU A 68 26.350 3.455 -0.031 1.00 0.00 H new ATOM 1055 N ASP A 69 24.757 6.831 4.952 1.00 0.00 N ATOM 1056 CA ASP A 69 23.713 7.065 5.929 1.00 0.00 C ATOM 1057 C ASP A 69 22.740 8.110 5.402 1.00 0.00 C ATOM 1058 O ASP A 69 22.846 9.286 5.742 1.00 0.00 O ATOM 1059 CB ASP A 69 24.340 7.522 7.243 1.00 0.00 C ATOM 1060 CG ASP A 69 25.275 8.701 7.018 1.00 0.00 C ATOM 1061 OD1 ASP A 69 26.415 8.444 6.571 1.00 0.00 O ATOM 1062 OD2 ASP A 69 24.834 9.836 7.296 1.00 0.00 O ATOM 0 H ASP A 69 25.256 7.672 4.662 1.00 0.00 H new ATOM 0 HA ASP A 69 23.162 6.142 6.108 1.00 0.00 H new ATOM 0 HB2 ASP A 69 23.556 7.804 7.946 1.00 0.00 H new ATOM 0 HB3 ASP A 69 24.891 6.697 7.694 1.00 0.00 H new ATOM 1067 N ASP A 70 21.790 7.679 4.569 1.00 0.00 N ATOM 1068 CA ASP A 70 20.807 8.579 4.000 1.00 0.00 C ATOM 1069 C ASP A 70 19.882 7.808 3.068 1.00 0.00 C ATOM 1070 O ASP A 70 19.779 8.130 1.887 1.00 0.00 O ATOM 1071 CB ASP A 70 21.519 9.700 3.250 1.00 0.00 C ATOM 1072 CG ASP A 70 20.824 11.035 3.481 1.00 0.00 C ATOM 1073 OD1 ASP A 70 19.580 11.013 3.605 1.00 0.00 O ATOM 1074 OD2 ASP A 70 21.550 12.051 3.528 1.00 0.00 O ATOM 0 H ASP A 70 21.688 6.707 4.278 1.00 0.00 H new ATOM 0 HA ASP A 70 20.205 9.018 4.796 1.00 0.00 H new ATOM 0 HB2 ASP A 70 22.556 9.763 3.581 1.00 0.00 H new ATOM 0 HB3 ASP A 70 21.538 9.475 2.184 1.00 0.00 H new ATOM 1079 N SER A 71 19.209 6.786 3.603 1.00 0.00 N ATOM 1080 CA SER A 71 18.299 5.978 2.817 1.00 0.00 C ATOM 1081 C SER A 71 16.862 6.387 3.109 1.00 0.00 C ATOM 1082 O SER A 71 15.924 5.787 2.589 1.00 0.00 O ATOM 1083 CB SER A 71 18.518 4.503 3.144 1.00 0.00 C ATOM 1084 OG SER A 71 18.537 4.330 4.543 1.00 0.00 O ATOM 0 H SER A 71 19.284 6.505 4.581 1.00 0.00 H new ATOM 0 HA SER A 71 18.492 6.134 1.756 1.00 0.00 H new ATOM 0 HB2 SER A 71 17.724 3.900 2.703 1.00 0.00 H new ATOM 0 HB3 SER A 71 19.458 4.159 2.711 1.00 0.00 H new ATOM 0 HG SER A 71 18.676 3.383 4.754 1.00 0.00 H new ATOM 1090 N SER A 72 16.692 7.415 3.945 1.00 0.00 N ATOM 1091 CA SER A 72 15.372 7.899 4.299 1.00 0.00 C ATOM 1092 C SER A 72 14.931 8.965 3.306 1.00 0.00 C ATOM 1093 O SER A 72 13.807 9.459 3.379 1.00 0.00 O ATOM 1094 CB SER A 72 15.402 8.461 5.718 1.00 0.00 C ATOM 1095 OG SER A 72 14.291 9.307 5.912 1.00 0.00 O ATOM 0 H SER A 72 17.459 7.923 4.385 1.00 0.00 H new ATOM 0 HA SER A 72 14.656 7.078 4.262 1.00 0.00 H new ATOM 0 HB2 SER A 72 15.384 7.647 6.443 1.00 0.00 H new ATOM 0 HB3 SER A 72 16.327 9.014 5.882 1.00 0.00 H new ATOM 0 HG SER A 72 13.683 9.229 5.147 1.00 0.00 H new ATOM 1101 N SER A 73 15.819 9.319 2.375 1.00 0.00 N ATOM 1102 CA SER A 73 15.515 10.321 1.373 1.00 0.00 C ATOM 1103 C SER A 73 14.995 9.649 0.111 1.00 0.00 C ATOM 1104 O SER A 73 15.295 8.485 -0.145 1.00 0.00 O ATOM 1105 CB SER A 73 16.771 11.136 1.073 1.00 0.00 C ATOM 1106 OG SER A 73 16.969 12.087 2.094 1.00 0.00 O ATOM 0 H SER A 73 16.755 8.920 2.301 1.00 0.00 H new ATOM 0 HA SER A 73 14.742 10.992 1.748 1.00 0.00 H new ATOM 0 HB2 SER A 73 17.637 10.477 1.002 1.00 0.00 H new ATOM 0 HB3 SER A 73 16.671 11.636 0.110 1.00 0.00 H new ATOM 0 HG SER A 73 17.766 11.850 2.612 1.00 0.00 H new ATOM 1112 N GLU A 74 14.213 10.387 -0.680 1.00 0.00 N ATOM 1113 CA GLU A 74 13.658 9.859 -1.911 1.00 0.00 C ATOM 1114 C GLU A 74 14.766 9.656 -2.936 1.00 0.00 C ATOM 1115 O GLU A 74 14.775 8.660 -3.655 1.00 0.00 O ATOM 1116 CB GLU A 74 12.599 10.820 -2.443 1.00 0.00 C ATOM 1117 CG GLU A 74 13.272 12.099 -2.932 1.00 0.00 C ATOM 1118 CD GLU A 74 12.410 13.317 -2.632 1.00 0.00 C ATOM 1119 OE1 GLU A 74 11.244 13.310 -3.082 1.00 0.00 O ATOM 1120 OE2 GLU A 74 12.932 14.229 -1.957 1.00 0.00 O ATOM 0 H GLU A 74 13.954 11.354 -0.482 1.00 0.00 H new ATOM 0 HA GLU A 74 13.191 8.893 -1.717 1.00 0.00 H new ATOM 0 HB2 GLU A 74 12.046 10.353 -3.258 1.00 0.00 H new ATOM 0 HB3 GLU A 74 11.877 11.053 -1.660 1.00 0.00 H new ATOM 0 HG2 GLU A 74 14.244 12.210 -2.451 1.00 0.00 H new ATOM 0 HG3 GLU A 74 13.453 12.032 -4.005 1.00 0.00 H new ATOM 1127 N GLN A 75 15.702 10.606 -2.997 1.00 0.00 N ATOM 1128 CA GLN A 75 16.808 10.527 -3.931 1.00 0.00 C ATOM 1129 C GLN A 75 18.066 10.073 -3.205 1.00 0.00 C ATOM 1130 O GLN A 75 18.599 10.797 -2.366 1.00 0.00 O ATOM 1131 CB GLN A 75 17.021 11.892 -4.578 1.00 0.00 C ATOM 1132 CG GLN A 75 17.423 12.906 -3.511 1.00 0.00 C ATOM 1133 CD GLN A 75 17.132 14.326 -3.975 1.00 0.00 C ATOM 1134 OE1 GLN A 75 18.053 15.095 -4.240 1.00 0.00 O ATOM 1135 NE2 GLN A 75 15.846 14.673 -4.069 1.00 0.00 N ATOM 0 H GLN A 75 15.709 11.437 -2.406 1.00 0.00 H new ATOM 0 HA GLN A 75 16.581 9.800 -4.710 1.00 0.00 H new ATOM 0 HB2 GLN A 75 17.795 11.827 -5.342 1.00 0.00 H new ATOM 0 HB3 GLN A 75 16.107 12.216 -5.077 1.00 0.00 H new ATOM 0 HG2 GLN A 75 16.881 12.703 -2.587 1.00 0.00 H new ATOM 0 HG3 GLN A 75 18.485 12.803 -3.287 1.00 0.00 H new ATOM 0 HE21 GLN A 75 15.117 13.998 -3.838 1.00 0.00 H new ATOM 0 HE22 GLN A 75 15.592 15.613 -4.372 1.00 0.00 H new ATOM 1144 N CYS A 76 18.541 8.867 -3.529 1.00 0.00 N ATOM 1145 CA CYS A 76 19.732 8.322 -2.909 1.00 0.00 C ATOM 1146 C CYS A 76 20.970 8.961 -3.522 1.00 0.00 C ATOM 1147 O CYS A 76 21.136 8.954 -4.740 1.00 0.00 O ATOM 1148 CB CYS A 76 19.754 6.808 -3.098 1.00 0.00 C ATOM 1149 SG CYS A 76 21.025 5.965 -2.122 1.00 0.00 S ATOM 0 H CYS A 76 18.110 8.254 -4.221 1.00 0.00 H new ATOM 0 HA CYS A 76 19.725 8.542 -1.841 1.00 0.00 H new ATOM 0 HB2 CYS A 76 18.777 6.404 -2.831 1.00 0.00 H new ATOM 0 HB3 CYS A 76 19.913 6.586 -4.153 1.00 0.00 H new ATOM 1154 N VAL A 77 21.840 9.515 -2.675 1.00 0.00 N ATOM 1155 CA VAL A 77 23.056 10.153 -3.136 1.00 0.00 C ATOM 1156 C VAL A 77 24.266 9.458 -2.529 1.00 0.00 C ATOM 1157 O VAL A 77 24.337 9.277 -1.315 1.00 0.00 O ATOM 1158 CB VAL A 77 23.031 11.630 -2.752 1.00 0.00 C ATOM 1159 CG1 VAL A 77 23.389 11.777 -1.275 1.00 0.00 C ATOM 1160 CG2 VAL A 77 24.046 12.393 -3.599 1.00 0.00 C ATOM 0 H VAL A 77 21.716 9.530 -1.663 1.00 0.00 H new ATOM 0 HA VAL A 77 23.124 10.074 -4.221 1.00 0.00 H new ATOM 0 HB VAL A 77 22.034 12.034 -2.927 1.00 0.00 H new ATOM 0 HG11 VAL A 77 23.371 12.831 -1.000 1.00 0.00 H new ATOM 0 HG12 VAL A 77 22.665 11.232 -0.669 1.00 0.00 H new ATOM 0 HG13 VAL A 77 24.386 11.373 -1.100 1.00 0.00 H new ATOM 0 HG21 VAL A 77 24.029 13.448 -3.325 1.00 0.00 H new ATOM 0 HG22 VAL A 77 25.043 11.989 -3.424 1.00 0.00 H new ATOM 0 HG23 VAL A 77 23.792 12.288 -4.654 1.00 0.00 H new ATOM 1170 N MET A 78 25.220 9.067 -3.377 1.00 0.00 N ATOM 1171 CA MET A 78 26.418 8.394 -2.918 1.00 0.00 C ATOM 1172 C MET A 78 27.549 9.399 -2.755 1.00 0.00 C ATOM 1173 O MET A 78 27.953 10.045 -3.720 1.00 0.00 O ATOM 1174 CB MET A 78 26.803 7.306 -3.917 1.00 0.00 C ATOM 1175 CG MET A 78 26.220 7.644 -5.286 1.00 0.00 C ATOM 1176 SD MET A 78 26.973 6.726 -6.652 1.00 0.00 S ATOM 1177 CE MET A 78 26.742 5.042 -6.032 1.00 0.00 C ATOM 0 H MET A 78 25.178 9.209 -4.386 1.00 0.00 H new ATOM 0 HA MET A 78 26.229 7.932 -1.949 1.00 0.00 H new ATOM 0 HB2 MET A 78 27.888 7.224 -3.982 1.00 0.00 H new ATOM 0 HB3 MET A 78 26.430 6.339 -3.580 1.00 0.00 H new ATOM 0 HG2 MET A 78 25.149 7.443 -5.273 1.00 0.00 H new ATOM 0 HG3 MET A 78 26.342 8.712 -5.468 1.00 0.00 H new ATOM 0 HE1 MET A 78 27.069 4.328 -6.788 1.00 0.00 H new ATOM 0 HE2 MET A 78 27.330 4.904 -5.125 1.00 0.00 H new ATOM 0 HE3 MET A 78 25.688 4.878 -5.809 1.00 0.00 H new ATOM 1187 N LYS A 79 28.060 9.531 -1.529 1.00 0.00 N ATOM 1188 CA LYS A 79 29.139 10.456 -1.247 1.00 0.00 C ATOM 1189 C LYS A 79 30.471 9.833 -1.642 1.00 0.00 C ATOM 1190 O LYS A 79 30.757 8.692 -1.284 1.00 0.00 O ATOM 1191 CB LYS A 79 29.128 10.812 0.237 1.00 0.00 C ATOM 1192 CG LYS A 79 29.417 12.301 0.404 1.00 0.00 C ATOM 1193 CD LYS A 79 30.067 12.544 1.763 1.00 0.00 C ATOM 1194 CE LYS A 79 31.558 12.812 1.572 1.00 0.00 C ATOM 1195 NZ LYS A 79 31.844 14.254 1.617 1.00 0.00 N ATOM 0 H LYS A 79 27.737 9.003 -0.719 1.00 0.00 H new ATOM 0 HA LYS A 79 29.001 11.368 -1.828 1.00 0.00 H new ATOM 0 HB2 LYS A 79 28.160 10.567 0.674 1.00 0.00 H new ATOM 0 HB3 LYS A 79 29.876 10.223 0.769 1.00 0.00 H new ATOM 0 HG2 LYS A 79 30.076 12.646 -0.393 1.00 0.00 H new ATOM 0 HG3 LYS A 79 28.493 12.873 0.324 1.00 0.00 H new ATOM 0 HD2 LYS A 79 29.594 13.392 2.258 1.00 0.00 H new ATOM 0 HD3 LYS A 79 29.922 11.677 2.408 1.00 0.00 H new ATOM 0 HE2 LYS A 79 32.126 12.301 2.349 1.00 0.00 H new ATOM 0 HE3 LYS A 79 31.885 12.402 0.616 1.00 0.00 H new ATOM 0 HZ1 LYS A 79 32.864 14.410 1.485 1.00 0.00 H new ATOM 0 HZ2 LYS A 79 31.319 14.736 0.860 1.00 0.00 H new ATOM 0 HZ3 LYS A 79 31.552 14.637 2.539 1.00 0.00 H new ATOM 1209 N GLU A 80 31.286 10.587 -2.383 1.00 0.00 N ATOM 1210 CA GLU A 80 32.581 10.106 -2.820 1.00 0.00 C ATOM 1211 C GLU A 80 33.504 9.937 -1.621 1.00 0.00 C ATOM 1212 O GLU A 80 33.752 10.889 -0.885 1.00 0.00 O ATOM 1213 CB GLU A 80 33.174 11.088 -3.825 1.00 0.00 C ATOM 1214 CG GLU A 80 33.374 12.444 -3.154 1.00 0.00 C ATOM 1215 CD GLU A 80 34.833 12.654 -2.776 1.00 0.00 C ATOM 1216 OE1 GLU A 80 35.685 12.454 -3.669 1.00 0.00 O ATOM 1217 OE2 GLU A 80 35.070 13.010 -1.601 1.00 0.00 O ATOM 0 H GLU A 80 31.063 11.534 -2.689 1.00 0.00 H new ATOM 0 HA GLU A 80 32.467 9.135 -3.303 1.00 0.00 H new ATOM 0 HB2 GLU A 80 34.126 10.711 -4.199 1.00 0.00 H new ATOM 0 HB3 GLU A 80 32.511 11.190 -4.685 1.00 0.00 H new ATOM 0 HG2 GLU A 80 33.051 13.238 -3.827 1.00 0.00 H new ATOM 0 HG3 GLU A 80 32.750 12.508 -2.262 1.00 0.00 H new ATOM 1224 N LYS A 81 34.013 8.718 -1.428 1.00 0.00 N ATOM 1225 CA LYS A 81 34.906 8.432 -0.322 1.00 0.00 C ATOM 1226 C LYS A 81 36.323 8.224 -0.840 1.00 0.00 C ATOM 1227 O LYS A 81 36.518 7.887 -2.005 1.00 0.00 O ATOM 1228 CB LYS A 81 34.415 7.191 0.418 1.00 0.00 C ATOM 1229 CG LYS A 81 32.889 7.196 0.462 1.00 0.00 C ATOM 1230 CD LYS A 81 32.341 6.490 -0.774 1.00 0.00 C ATOM 1231 CE LYS A 81 30.875 6.131 -0.547 1.00 0.00 C ATOM 1232 NZ LYS A 81 30.266 7.013 0.461 1.00 0.00 N ATOM 0 H LYS A 81 33.817 7.917 -2.029 1.00 0.00 H new ATOM 0 HA LYS A 81 34.914 9.274 0.370 1.00 0.00 H new ATOM 0 HB2 LYS A 81 34.772 6.291 -0.082 1.00 0.00 H new ATOM 0 HB3 LYS A 81 34.819 7.174 1.430 1.00 0.00 H new ATOM 0 HG2 LYS A 81 32.539 6.695 1.365 1.00 0.00 H new ATOM 0 HG3 LYS A 81 32.519 8.221 0.502 1.00 0.00 H new ATOM 0 HD2 LYS A 81 32.437 7.135 -1.647 1.00 0.00 H new ATOM 0 HD3 LYS A 81 32.920 5.589 -0.978 1.00 0.00 H new ATOM 0 HE2 LYS A 81 30.327 6.213 -1.486 1.00 0.00 H new ATOM 0 HE3 LYS A 81 30.797 5.093 -0.222 1.00 0.00 H new ATOM 0 HZ1 LYS A 81 29.235 6.877 0.464 1.00 0.00 H new ATOM 0 HZ2 LYS A 81 30.649 6.783 1.400 1.00 0.00 H new ATOM 0 HZ3 LYS A 81 30.483 8.004 0.232 1.00 0.00 H new ATOM 1246 N LYS A 82 37.313 8.427 0.033 1.00 0.00 N ATOM 1247 CA LYS A 82 38.704 8.263 -0.340 1.00 0.00 C ATOM 1248 C LYS A 82 38.913 6.890 -0.964 1.00 0.00 C ATOM 1249 O LYS A 82 38.949 5.883 -0.261 1.00 0.00 O ATOM 1250 CB LYS A 82 39.583 8.434 0.894 1.00 0.00 C ATOM 1251 CG LYS A 82 38.931 7.739 2.085 1.00 0.00 C ATOM 1252 CD LYS A 82 39.759 6.521 2.481 1.00 0.00 C ATOM 1253 CE LYS A 82 38.876 5.523 3.224 1.00 0.00 C ATOM 1254 NZ LYS A 82 38.880 5.790 4.670 1.00 0.00 N ATOM 0 H LYS A 82 37.168 8.706 1.003 1.00 0.00 H new ATOM 0 HA LYS A 82 38.979 9.020 -1.075 1.00 0.00 H new ATOM 0 HB2 LYS A 82 40.571 8.013 0.710 1.00 0.00 H new ATOM 0 HB3 LYS A 82 39.723 9.493 1.110 1.00 0.00 H new ATOM 0 HG2 LYS A 82 38.856 8.429 2.925 1.00 0.00 H new ATOM 0 HG3 LYS A 82 37.916 7.434 1.830 1.00 0.00 H new ATOM 0 HD2 LYS A 82 40.186 6.054 1.593 1.00 0.00 H new ATOM 0 HD3 LYS A 82 40.593 6.825 3.113 1.00 0.00 H new ATOM 0 HE2 LYS A 82 37.856 5.580 2.843 1.00 0.00 H new ATOM 0 HE3 LYS A 82 39.230 4.509 3.037 1.00 0.00 H new ATOM 0 HZ1 LYS A 82 38.272 5.098 5.153 1.00 0.00 H new ATOM 0 HZ2 LYS A 82 39.851 5.712 5.035 1.00 0.00 H new ATOM 0 HZ3 LYS A 82 38.520 6.749 4.847 1.00 0.00 H new ATOM 1268 N ASP A 83 39.053 6.853 -2.292 1.00 0.00 N ATOM 1269 CA ASP A 83 39.257 5.607 -3.004 1.00 0.00 C ATOM 1270 C ASP A 83 40.548 5.680 -3.808 1.00 0.00 C ATOM 1271 O ASP A 83 40.629 6.412 -4.790 1.00 0.00 O ATOM 1272 CB ASP A 83 38.065 5.345 -3.919 1.00 0.00 C ATOM 1273 CG ASP A 83 36.753 5.531 -3.170 1.00 0.00 C ATOM 1274 OD1 ASP A 83 36.708 5.112 -1.993 1.00 0.00 O ATOM 1275 OD2 ASP A 83 35.821 6.088 -3.788 1.00 0.00 O ATOM 0 H ASP A 83 39.027 7.679 -2.890 1.00 0.00 H new ATOM 0 HA ASP A 83 39.340 4.785 -2.293 1.00 0.00 H new ATOM 0 HB2 ASP A 83 38.101 6.023 -4.772 1.00 0.00 H new ATOM 0 HB3 ASP A 83 38.122 4.331 -4.315 1.00 0.00 H new ATOM 1280 N ASP A 84 41.559 4.917 -3.386 1.00 0.00 N ATOM 1281 CA ASP A 84 42.839 4.900 -4.066 1.00 0.00 C ATOM 1282 C ASP A 84 42.856 3.786 -5.103 1.00 0.00 C ATOM 1283 O ASP A 84 42.521 2.644 -4.797 1.00 0.00 O ATOM 1284 CB ASP A 84 43.955 4.705 -3.044 1.00 0.00 C ATOM 1285 CG ASP A 84 44.153 3.228 -2.730 1.00 0.00 C ATOM 1286 OD1 ASP A 84 43.176 2.615 -2.247 1.00 0.00 O ATOM 1287 OD2 ASP A 84 45.276 2.740 -2.981 1.00 0.00 O ATOM 0 H ASP A 84 41.507 4.304 -2.573 1.00 0.00 H new ATOM 0 HA ASP A 84 42.996 5.849 -4.578 1.00 0.00 H new ATOM 0 HB2 ASP A 84 44.884 5.127 -3.429 1.00 0.00 H new ATOM 0 HB3 ASP A 84 43.714 5.246 -2.129 1.00 0.00 H new ATOM 1292 N GLY A 85 43.247 4.121 -6.335 1.00 0.00 N ATOM 1293 CA GLY A 85 43.304 3.146 -7.407 1.00 0.00 C ATOM 1294 C GLY A 85 42.043 3.222 -8.256 1.00 0.00 C ATOM 1295 O GLY A 85 41.975 2.627 -9.329 1.00 0.00 O ATOM 0 H GLY A 85 43.527 5.063 -6.607 1.00 0.00 H new ATOM 0 HA2 GLY A 85 44.181 3.329 -8.028 1.00 0.00 H new ATOM 0 HA3 GLY A 85 43.411 2.144 -6.991 1.00 0.00 H new ATOM 1299 N GLY A 86 41.042 3.960 -7.771 1.00 0.00 N ATOM 1300 CA GLY A 86 39.790 4.110 -8.488 1.00 0.00 C ATOM 1301 C GLY A 86 38.747 4.765 -7.596 1.00 0.00 C ATOM 1302 O GLY A 86 38.857 4.726 -6.372 1.00 0.00 O ATOM 0 H GLY A 86 41.082 4.461 -6.883 1.00 0.00 H new ATOM 0 HA2 GLY A 86 39.945 4.714 -9.382 1.00 0.00 H new ATOM 0 HA3 GLY A 86 39.434 3.135 -8.820 1.00 0.00 H new ATOM 1306 N LEU A 87 37.728 5.369 -8.213 1.00 0.00 N ATOM 1307 CA LEU A 87 36.670 6.030 -7.476 1.00 0.00 C ATOM 1308 C LEU A 87 35.565 5.034 -7.156 1.00 0.00 C ATOM 1309 O LEU A 87 35.124 4.288 -8.027 1.00 0.00 O ATOM 1310 CB LEU A 87 36.127 7.194 -8.301 1.00 0.00 C ATOM 1311 CG LEU A 87 36.749 8.498 -7.813 1.00 0.00 C ATOM 1312 CD1 LEU A 87 38.257 8.316 -7.659 1.00 0.00 C ATOM 1313 CD2 LEU A 87 36.471 9.606 -8.825 1.00 0.00 C ATOM 0 H LEU A 87 37.621 5.409 -9.227 1.00 0.00 H new ATOM 0 HA LEU A 87 37.064 6.420 -6.537 1.00 0.00 H new ATOM 0 HB2 LEU A 87 36.355 7.043 -9.356 1.00 0.00 H new ATOM 0 HB3 LEU A 87 35.042 7.241 -8.213 1.00 0.00 H new ATOM 0 HG LEU A 87 36.315 8.769 -6.850 1.00 0.00 H new ATOM 0 HD11 LEU A 87 38.702 9.248 -7.310 1.00 0.00 H new ATOM 0 HD12 LEU A 87 38.456 7.526 -6.935 1.00 0.00 H new ATOM 0 HD13 LEU A 87 38.691 8.045 -8.621 1.00 0.00 H new ATOM 0 HD21 LEU A 87 36.916 10.538 -8.476 1.00 0.00 H new ATOM 0 HD22 LEU A 87 36.904 9.336 -9.788 1.00 0.00 H new ATOM 0 HD23 LEU A 87 35.394 9.737 -8.935 1.00 0.00 H new ATOM 1325 N MET A 88 35.115 5.025 -5.898 1.00 0.00 N ATOM 1326 CA MET A 88 34.066 4.121 -5.471 1.00 0.00 C ATOM 1327 C MET A 88 33.049 4.872 -4.623 1.00 0.00 C ATOM 1328 O MET A 88 33.369 5.346 -3.536 1.00 0.00 O ATOM 1329 CB MET A 88 34.680 2.969 -4.681 1.00 0.00 C ATOM 1330 CG MET A 88 36.140 2.795 -5.087 1.00 0.00 C ATOM 1331 SD MET A 88 37.101 1.764 -3.951 1.00 0.00 S ATOM 1332 CE MET A 88 37.758 0.563 -5.134 1.00 0.00 C ATOM 0 H MET A 88 35.467 5.638 -5.163 1.00 0.00 H new ATOM 0 HA MET A 88 33.553 3.716 -6.344 1.00 0.00 H new ATOM 0 HB2 MET A 88 34.610 3.169 -3.612 1.00 0.00 H new ATOM 0 HB3 MET A 88 34.127 2.049 -4.870 1.00 0.00 H new ATOM 0 HG2 MET A 88 36.180 2.354 -6.083 1.00 0.00 H new ATOM 0 HG3 MET A 88 36.608 3.777 -5.154 1.00 0.00 H new ATOM 0 HE1 MET A 88 38.727 0.203 -4.787 1.00 0.00 H new ATOM 0 HE2 MET A 88 37.069 -0.277 -5.220 1.00 0.00 H new ATOM 0 HE3 MET A 88 37.875 1.038 -6.108 1.00 0.00 H new ATOM 1342 N PHE A 89 31.816 4.980 -5.127 1.00 0.00 N ATOM 1343 CA PHE A 89 30.760 5.672 -4.416 1.00 0.00 C ATOM 1344 C PHE A 89 29.567 4.742 -4.233 1.00 0.00 C ATOM 1345 O PHE A 89 29.129 4.097 -5.181 1.00 0.00 O ATOM 1346 CB PHE A 89 30.358 6.921 -5.193 1.00 0.00 C ATOM 1347 CG PHE A 89 31.531 7.779 -5.603 1.00 0.00 C ATOM 1348 CD1 PHE A 89 32.662 7.859 -4.781 1.00 0.00 C ATOM 1349 CD2 PHE A 89 31.491 8.492 -6.807 1.00 0.00 C ATOM 1350 CE1 PHE A 89 33.750 8.653 -5.162 1.00 0.00 C ATOM 1351 CE2 PHE A 89 32.579 9.285 -7.189 1.00 0.00 C ATOM 1352 CZ PHE A 89 33.708 9.367 -6.366 1.00 0.00 C ATOM 0 H PHE A 89 31.534 4.593 -6.027 1.00 0.00 H new ATOM 0 HA PHE A 89 31.116 5.973 -3.431 1.00 0.00 H new ATOM 0 HB2 PHE A 89 29.807 6.623 -6.085 1.00 0.00 H new ATOM 0 HB3 PHE A 89 29.679 7.516 -4.583 1.00 0.00 H new ATOM 0 HD1 PHE A 89 32.695 7.308 -3.853 1.00 0.00 H new ATOM 0 HD2 PHE A 89 30.619 8.430 -7.442 1.00 0.00 H new ATOM 0 HE1 PHE A 89 34.622 8.715 -4.528 1.00 0.00 H new ATOM 0 HE2 PHE A 89 32.547 9.834 -8.119 1.00 0.00 H new ATOM 0 HZ PHE A 89 34.547 9.981 -6.659 1.00 0.00 H new ATOM 1362 N MET A 90 29.044 4.678 -3.006 1.00 0.00 N ATOM 1363 CA MET A 90 27.908 3.829 -2.707 1.00 0.00 C ATOM 1364 C MET A 90 26.810 4.647 -2.043 1.00 0.00 C ATOM 1365 O MET A 90 27.089 5.639 -1.373 1.00 0.00 O ATOM 1366 CB MET A 90 28.354 2.687 -1.798 1.00 0.00 C ATOM 1367 CG MET A 90 28.656 3.232 -0.406 1.00 0.00 C ATOM 1368 SD MET A 90 29.205 1.974 0.774 1.00 0.00 S ATOM 1369 CE MET A 90 30.470 1.163 -0.236 1.00 0.00 C ATOM 0 H MET A 90 29.396 5.208 -2.209 1.00 0.00 H new ATOM 0 HA MET A 90 27.511 3.409 -3.631 1.00 0.00 H new ATOM 0 HB2 MET A 90 27.574 1.928 -1.741 1.00 0.00 H new ATOM 0 HB3 MET A 90 29.240 2.204 -2.211 1.00 0.00 H new ATOM 0 HG2 MET A 90 29.425 4.000 -0.487 1.00 0.00 H new ATOM 0 HG3 MET A 90 27.761 3.717 -0.015 1.00 0.00 H new ATOM 0 HE1 MET A 90 31.044 0.474 0.384 1.00 0.00 H new ATOM 0 HE2 MET A 90 29.991 0.611 -1.045 1.00 0.00 H new ATOM 0 HE3 MET A 90 31.138 1.915 -0.656 1.00 0.00 H new ATOM 1379 N CYS A 91 25.557 4.228 -2.230 1.00 0.00 N ATOM 1380 CA CYS A 91 24.423 4.919 -1.652 1.00 0.00 C ATOM 1381 C CYS A 91 23.379 3.908 -1.199 1.00 0.00 C ATOM 1382 O CYS A 91 23.331 2.791 -1.710 1.00 0.00 O ATOM 1383 CB CYS A 91 23.836 5.880 -2.680 1.00 0.00 C ATOM 1384 SG CYS A 91 22.397 5.225 -3.562 1.00 0.00 S ATOM 0 H CYS A 91 25.310 3.407 -2.783 1.00 0.00 H new ATOM 0 HA CYS A 91 24.746 5.492 -0.783 1.00 0.00 H new ATOM 0 HB2 CYS A 91 23.551 6.804 -2.177 1.00 0.00 H new ATOM 0 HB3 CYS A 91 24.608 6.136 -3.405 1.00 0.00 H new ATOM 1389 N SER A 92 22.541 4.302 -0.237 1.00 0.00 N ATOM 1390 CA SER A 92 21.504 3.430 0.275 1.00 0.00 C ATOM 1391 C SER A 92 20.178 4.176 0.321 1.00 0.00 C ATOM 1392 O SER A 92 20.152 5.393 0.493 1.00 0.00 O ATOM 1393 CB SER A 92 21.896 2.938 1.666 1.00 0.00 C ATOM 1394 OG SER A 92 22.238 4.041 2.475 1.00 0.00 O ATOM 0 H SER A 92 22.568 5.224 0.198 1.00 0.00 H new ATOM 0 HA SER A 92 21.390 2.568 -0.383 1.00 0.00 H new ATOM 0 HB2 SER A 92 21.070 2.386 2.115 1.00 0.00 H new ATOM 0 HB3 SER A 92 22.738 2.250 1.596 1.00 0.00 H new ATOM 0 HG SER A 92 21.566 4.151 3.180 1.00 0.00 H new ATOM 1400 N CYS A 93 19.073 3.441 0.169 1.00 0.00 N ATOM 1401 CA CYS A 93 17.751 4.033 0.194 1.00 0.00 C ATOM 1402 C CYS A 93 16.703 2.943 0.374 1.00 0.00 C ATOM 1403 O CYS A 93 16.709 1.947 -0.347 1.00 0.00 O ATOM 1404 CB CYS A 93 17.514 4.803 -1.102 1.00 0.00 C ATOM 1405 SG CYS A 93 17.884 3.855 -2.598 1.00 0.00 S ATOM 0 H CYS A 93 19.078 2.431 0.027 1.00 0.00 H new ATOM 0 HA CYS A 93 17.674 4.727 1.031 1.00 0.00 H new ATOM 0 HB2 CYS A 93 16.473 5.125 -1.136 1.00 0.00 H new ATOM 0 HB3 CYS A 93 18.127 5.705 -1.094 1.00 0.00 H new ATOM 1410 N THR A 94 15.800 3.133 1.338 1.00 0.00 N ATOM 1411 CA THR A 94 14.754 2.167 1.603 1.00 0.00 C ATOM 1412 C THR A 94 13.672 2.269 0.538 1.00 0.00 C ATOM 1413 O THR A 94 12.660 1.573 0.605 1.00 0.00 O ATOM 1414 CB THR A 94 14.172 2.418 2.992 1.00 0.00 C ATOM 1415 OG1 THR A 94 13.269 3.499 2.934 1.00 0.00 O ATOM 1416 CG2 THR A 94 15.300 2.749 3.965 1.00 0.00 C ATOM 0 H THR A 94 15.780 3.952 1.945 1.00 0.00 H new ATOM 0 HA THR A 94 15.169 1.160 1.573 1.00 0.00 H new ATOM 0 HB THR A 94 13.649 1.525 3.334 1.00 0.00 H new ATOM 0 HG1 THR A 94 12.894 3.660 3.825 1.00 0.00 H new ATOM 0 HG21 THR A 94 14.884 2.928 4.957 1.00 0.00 H new ATOM 0 HG22 THR A 94 15.999 1.914 4.010 1.00 0.00 H new ATOM 0 HG23 THR A 94 15.824 3.642 3.624 1.00 0.00 H new ATOM 1424 N GLY A 95 13.887 3.141 -0.449 1.00 0.00 N ATOM 1425 CA GLY A 95 12.930 3.329 -1.521 1.00 0.00 C ATOM 1426 C GLY A 95 12.972 2.145 -2.478 1.00 0.00 C ATOM 1427 O GLY A 95 13.652 1.155 -2.218 1.00 0.00 O ATOM 0 H GLY A 95 14.720 3.725 -0.521 1.00 0.00 H new ATOM 0 HA2 GLY A 95 11.927 3.437 -1.108 1.00 0.00 H new ATOM 0 HA3 GLY A 95 13.153 4.250 -2.060 1.00 0.00 H new ATOM 1431 N GLU A 96 12.241 2.252 -3.590 1.00 0.00 N ATOM 1432 CA GLU A 96 12.199 1.193 -4.579 1.00 0.00 C ATOM 1433 C GLU A 96 13.191 1.485 -5.696 1.00 0.00 C ATOM 1434 O GLU A 96 13.086 2.505 -6.374 1.00 0.00 O ATOM 1435 CB GLU A 96 10.782 1.071 -5.132 1.00 0.00 C ATOM 1436 CG GLU A 96 10.762 0.040 -6.256 1.00 0.00 C ATOM 1437 CD GLU A 96 10.029 0.580 -7.475 1.00 0.00 C ATOM 1438 OE1 GLU A 96 10.300 1.748 -7.829 1.00 0.00 O ATOM 1439 OE2 GLU A 96 9.213 -0.185 -8.032 1.00 0.00 O ATOM 0 H GLU A 96 11.672 3.066 -3.821 1.00 0.00 H new ATOM 0 HA GLU A 96 12.477 0.247 -4.114 1.00 0.00 H new ATOM 0 HB2 GLU A 96 10.095 0.774 -4.339 1.00 0.00 H new ATOM 0 HB3 GLU A 96 10.441 2.037 -5.504 1.00 0.00 H new ATOM 0 HG2 GLU A 96 11.783 -0.226 -6.529 1.00 0.00 H new ATOM 0 HG3 GLU A 96 10.277 -0.872 -5.909 1.00 0.00 H new ATOM 1446 N GLU A 97 14.158 0.584 -5.886 1.00 0.00 N ATOM 1447 CA GLU A 97 15.161 0.749 -6.919 1.00 0.00 C ATOM 1448 C GLU A 97 15.870 2.085 -6.745 1.00 0.00 C ATOM 1449 O GLU A 97 16.791 2.405 -7.495 1.00 0.00 O ATOM 1450 CB GLU A 97 14.495 0.666 -8.290 1.00 0.00 C ATOM 1451 CG GLU A 97 14.004 -0.760 -8.530 1.00 0.00 C ATOM 1452 CD GLU A 97 13.164 -0.838 -9.797 1.00 0.00 C ATOM 1453 OE1 GLU A 97 13.777 -0.819 -10.887 1.00 0.00 O ATOM 1454 OE2 GLU A 97 11.926 -0.916 -9.653 1.00 0.00 O ATOM 0 H GLU A 97 14.260 -0.266 -5.332 1.00 0.00 H new ATOM 0 HA GLU A 97 15.903 -0.045 -6.839 1.00 0.00 H new ATOM 0 HB2 GLU A 97 13.659 1.364 -8.343 1.00 0.00 H new ATOM 0 HB3 GLU A 97 15.202 0.955 -9.068 1.00 0.00 H new ATOM 0 HG2 GLU A 97 14.857 -1.434 -8.612 1.00 0.00 H new ATOM 0 HG3 GLU A 97 13.414 -1.095 -7.677 1.00 0.00 H new ATOM 1461 N CYS A 98 15.439 2.866 -5.752 1.00 0.00 N ATOM 1462 CA CYS A 98 16.032 4.160 -5.483 1.00 0.00 C ATOM 1463 C CYS A 98 17.548 4.056 -5.556 1.00 0.00 C ATOM 1464 O CYS A 98 18.219 5.003 -5.962 1.00 0.00 O ATOM 1465 CB CYS A 98 15.589 4.644 -4.105 1.00 0.00 C ATOM 1466 SG CYS A 98 15.766 3.406 -2.797 1.00 0.00 S ATOM 0 H CYS A 98 14.677 2.615 -5.123 1.00 0.00 H new ATOM 0 HA CYS A 98 15.700 4.880 -6.231 1.00 0.00 H new ATOM 0 HB2 CYS A 98 16.170 5.526 -3.837 1.00 0.00 H new ATOM 0 HB3 CYS A 98 14.545 4.954 -4.159 1.00 0.00 H new ATOM 1471 N ASN A 99 18.089 2.901 -5.161 1.00 0.00 N ATOM 1472 CA ASN A 99 19.521 2.682 -5.185 1.00 0.00 C ATOM 1473 C ASN A 99 20.008 2.589 -6.624 1.00 0.00 C ATOM 1474 O ASN A 99 21.025 3.180 -6.979 1.00 0.00 O ATOM 1475 CB ASN A 99 19.852 1.404 -4.419 1.00 0.00 C ATOM 1476 CG ASN A 99 19.487 0.172 -5.235 1.00 0.00 C ATOM 1477 OD1 ASN A 99 18.434 0.133 -5.867 1.00 0.00 O ATOM 1478 ND2 ASN A 99 20.363 -0.836 -5.222 1.00 0.00 N ATOM 0 H ASN A 99 17.548 2.106 -4.821 1.00 0.00 H new ATOM 0 HA ASN A 99 20.027 3.520 -4.706 1.00 0.00 H new ATOM 0 HB2 ASN A 99 20.915 1.384 -4.179 1.00 0.00 H new ATOM 0 HB3 ASN A 99 19.311 1.392 -3.473 1.00 0.00 H new ATOM 0 HD21 ASN A 99 20.171 -1.686 -5.753 1.00 0.00 H new ATOM 0 HD22 ASN A 99 21.224 -0.756 -4.681 1.00 0.00 H new ATOM 1485 N ASP A 100 19.276 1.841 -7.454 1.00 0.00 N ATOM 1486 CA ASP A 100 19.635 1.673 -8.848 1.00 0.00 C ATOM 1487 C ASP A 100 20.075 3.007 -9.431 1.00 0.00 C ATOM 1488 O ASP A 100 20.952 3.051 -10.291 1.00 0.00 O ATOM 1489 CB ASP A 100 18.439 1.114 -9.615 1.00 0.00 C ATOM 1490 CG ASP A 100 17.750 2.209 -10.418 1.00 0.00 C ATOM 1491 OD1 ASP A 100 18.360 2.651 -11.415 1.00 0.00 O ATOM 1492 OD2 ASP A 100 16.626 2.582 -10.019 1.00 0.00 O ATOM 0 H ASP A 100 18.430 1.344 -7.175 1.00 0.00 H new ATOM 0 HA ASP A 100 20.465 0.972 -8.933 1.00 0.00 H new ATOM 0 HB2 ASP A 100 18.770 0.320 -10.284 1.00 0.00 H new ATOM 0 HB3 ASP A 100 17.730 0.668 -8.917 1.00 0.00 H new ATOM 1497 N VAL A 101 19.464 4.098 -8.962 1.00 0.00 N ATOM 1498 CA VAL A 101 19.795 5.425 -9.437 1.00 0.00 C ATOM 1499 C VAL A 101 20.824 6.062 -8.514 1.00 0.00 C ATOM 1500 O VAL A 101 20.481 6.541 -7.435 1.00 0.00 O ATOM 1501 CB VAL A 101 18.527 6.273 -9.501 1.00 0.00 C ATOM 1502 CG1 VAL A 101 18.598 7.204 -10.707 1.00 0.00 C ATOM 1503 CG2 VAL A 101 17.312 5.360 -9.635 1.00 0.00 C ATOM 0 H VAL A 101 18.734 4.078 -8.250 1.00 0.00 H new ATOM 0 HA VAL A 101 20.224 5.361 -10.437 1.00 0.00 H new ATOM 0 HB VAL A 101 18.439 6.865 -8.590 1.00 0.00 H new ATOM 0 HG11 VAL A 101 17.693 7.810 -10.753 1.00 0.00 H new ATOM 0 HG12 VAL A 101 19.466 7.856 -10.613 1.00 0.00 H new ATOM 0 HG13 VAL A 101 18.686 6.613 -11.618 1.00 0.00 H new ATOM 0 HG21 VAL A 101 16.406 5.964 -9.681 1.00 0.00 H new ATOM 0 HG22 VAL A 101 17.400 4.769 -10.546 1.00 0.00 H new ATOM 0 HG23 VAL A 101 17.261 4.694 -8.774 1.00 0.00 H new ATOM 1513 N LEU A 102 22.090 6.067 -8.941 1.00 0.00 N ATOM 1514 CA LEU A 102 23.160 6.644 -8.153 1.00 0.00 C ATOM 1515 C LEU A 102 23.302 8.124 -8.479 1.00 0.00 C ATOM 1516 O LEU A 102 23.555 8.488 -9.625 1.00 0.00 O ATOM 1517 CB LEU A 102 24.460 5.900 -8.442 1.00 0.00 C ATOM 1518 CG LEU A 102 24.343 5.171 -9.776 1.00 0.00 C ATOM 1519 CD1 LEU A 102 25.726 5.041 -10.409 1.00 0.00 C ATOM 1520 CD2 LEU A 102 23.757 3.781 -9.547 1.00 0.00 C ATOM 0 H LEU A 102 22.390 5.674 -9.833 1.00 0.00 H new ATOM 0 HA LEU A 102 22.928 6.547 -7.092 1.00 0.00 H new ATOM 0 HB2 LEU A 102 25.294 6.601 -8.471 1.00 0.00 H new ATOM 0 HB3 LEU A 102 24.669 5.188 -7.644 1.00 0.00 H new ATOM 0 HG LEU A 102 23.690 5.736 -10.442 1.00 0.00 H new ATOM 0 HD11 LEU A 102 25.642 4.520 -11.363 1.00 0.00 H new ATOM 0 HD12 LEU A 102 26.146 6.033 -10.574 1.00 0.00 H new ATOM 0 HD13 LEU A 102 26.379 4.477 -9.743 1.00 0.00 H new ATOM 0 HD21 LEU A 102 23.673 3.260 -10.501 1.00 0.00 H new ATOM 0 HD22 LEU A 102 24.409 3.216 -8.881 1.00 0.00 H new ATOM 0 HD23 LEU A 102 22.769 3.872 -9.096 1.00 0.00 H new ATOM 1532 N ILE A 103 23.136 8.977 -7.465 1.00 0.00 N ATOM 1533 CA ILE A 103 23.248 10.411 -7.644 1.00 0.00 C ATOM 1534 C ILE A 103 24.639 10.875 -7.237 1.00 0.00 C ATOM 1535 O ILE A 103 25.117 10.535 -6.157 1.00 0.00 O ATOM 1536 CB ILE A 103 22.178 11.112 -6.813 1.00 0.00 C ATOM 1537 CG1 ILE A 103 20.838 11.039 -7.541 1.00 0.00 C ATOM 1538 CG2 ILE A 103 22.568 12.573 -6.610 1.00 0.00 C ATOM 1539 CD1 ILE A 103 19.703 11.096 -6.522 1.00 0.00 C ATOM 0 H ILE A 103 22.923 8.689 -6.510 1.00 0.00 H new ATOM 0 HA ILE A 103 23.096 10.663 -8.693 1.00 0.00 H new ATOM 0 HB ILE A 103 22.091 10.621 -5.844 1.00 0.00 H new ATOM 0 HG12 ILE A 103 20.750 11.865 -8.247 1.00 0.00 H new ATOM 0 HG13 ILE A 103 20.776 10.117 -8.120 1.00 0.00 H new ATOM 0 HG21 ILE A 103 21.804 13.074 -6.016 1.00 0.00 H new ATOM 0 HG22 ILE A 103 23.524 12.625 -6.090 1.00 0.00 H new ATOM 0 HG23 ILE A 103 22.655 13.064 -7.579 1.00 0.00 H new ATOM 0 HD11 ILE A 103 18.746 11.044 -7.040 1.00 0.00 H new ATOM 0 HD12 ILE A 103 19.789 10.255 -5.834 1.00 0.00 H new ATOM 0 HD13 ILE A 103 19.763 12.030 -5.963 1.00 0.00 H new ATOM 1551 N PHE A 104 25.289 11.653 -8.105 1.00 0.00 N ATOM 1552 CA PHE A 104 26.620 12.158 -7.828 1.00 0.00 C ATOM 1553 C PHE A 104 26.597 13.678 -7.783 1.00 0.00 C ATOM 1554 O PHE A 104 26.334 14.329 -8.792 1.00 0.00 O ATOM 1555 CB PHE A 104 27.583 11.663 -8.904 1.00 0.00 C ATOM 1556 CG PHE A 104 27.556 10.165 -9.095 1.00 0.00 C ATOM 1557 CD1 PHE A 104 26.413 9.546 -9.611 1.00 0.00 C ATOM 1558 CD2 PHE A 104 28.677 9.396 -8.756 1.00 0.00 C ATOM 1559 CE1 PHE A 104 26.389 8.157 -9.790 1.00 0.00 C ATOM 1560 CE2 PHE A 104 28.653 8.009 -8.935 1.00 0.00 C ATOM 1561 CZ PHE A 104 27.509 7.388 -9.452 1.00 0.00 C ATOM 0 H PHE A 104 24.908 11.943 -9.005 1.00 0.00 H new ATOM 0 HA PHE A 104 26.958 11.792 -6.858 1.00 0.00 H new ATOM 0 HB2 PHE A 104 27.338 12.146 -9.850 1.00 0.00 H new ATOM 0 HB3 PHE A 104 28.596 11.970 -8.643 1.00 0.00 H new ATOM 0 HD1 PHE A 104 25.549 10.139 -9.871 1.00 0.00 H new ATOM 0 HD2 PHE A 104 29.559 9.874 -8.357 1.00 0.00 H new ATOM 0 HE1 PHE A 104 25.506 7.679 -10.189 1.00 0.00 H new ATOM 0 HE2 PHE A 104 29.517 7.416 -8.674 1.00 0.00 H new ATOM 0 HZ PHE A 104 27.491 6.317 -9.590 1.00 0.00 H new ATOM 1571 N SER A 105 26.872 14.246 -6.606 1.00 0.00 N ATOM 1572 CA SER A 105 26.883 15.685 -6.436 1.00 0.00 C ATOM 1573 C SER A 105 28.119 16.104 -5.654 1.00 0.00 C ATOM 1574 O SER A 105 28.515 15.431 -4.705 1.00 0.00 O ATOM 1575 CB SER A 105 25.612 16.120 -5.711 1.00 0.00 C ATOM 1576 OG SER A 105 25.780 15.943 -4.322 1.00 0.00 O ATOM 0 H SER A 105 27.090 13.721 -5.759 1.00 0.00 H new ATOM 0 HA SER A 105 26.914 16.169 -7.412 1.00 0.00 H new ATOM 0 HB2 SER A 105 25.394 17.165 -5.932 1.00 0.00 H new ATOM 0 HB3 SER A 105 24.762 15.536 -6.063 1.00 0.00 H new ATOM 0 HG SER A 105 24.965 16.224 -3.856 1.00 0.00 H new ATOM 1582 N ALA A 106 28.731 17.221 -6.056 1.00 0.00 N ATOM 1583 CA ALA A 106 29.918 17.724 -5.394 1.00 0.00 C ATOM 1584 C ALA A 106 29.800 19.230 -5.202 1.00 0.00 C ATOM 1585 O ALA A 106 30.809 19.929 -5.142 1.00 0.00 O ATOM 1586 CB ALA A 106 31.148 17.378 -6.227 1.00 0.00 C ATOM 0 H ALA A 106 28.415 17.790 -6.841 1.00 0.00 H new ATOM 0 HA ALA A 106 30.019 17.260 -4.413 1.00 0.00 H new ATOM 0 HB1 ALA A 106 32.042 17.756 -5.730 1.00 0.00 H new ATOM 0 HB2 ALA A 106 31.222 16.296 -6.334 1.00 0.00 H new ATOM 0 HB3 ALA A 106 31.060 17.835 -7.213 1.00 0.00 H new