USER MOD reduce.3.24.130724 H: found=0, std=0, add=523, rem=0, adj=18 USER MOD reduce.3.24.130724 removed 523 hydrogens (12 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 49 HIS : no HD1:sc= -13.4! C(o=-13!,f=-20!) USER MOD Set 1.2: A1318 ATP O2' : rot -80:sc= 0.611 USER MOD Set 1.3: A1318 ATP O3' : rot 125:sc= 0.0815 USER MOD Set 2.1: A 62 SER OG : rot -82:sc= 0.957 USER MOD Set 2.2: A 64 THR OG1 : rot 180:sc= 0.892 USER MOD Set 3.1: A 30 MET CE :methyl -169:sc= -2.93! (180deg=-2.05) USER MOD Set 3.2: A 38 SER OG : rot -53:sc= 0.563 USER MOD Single : A 1 GLY N :NH3+ -179:sc= 0.05 (180deg=0.0498) USER MOD Single : A 2 SER OG : rot 180:sc= 0 USER MOD Single : A 6 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 12 LYS NZ :NH3+ -131:sc= -0.311 (180deg=-1.52!) USER MOD Single : A 21 LYS NZ :NH3+ 154:sc= -0.16 (180deg=-1.53) USER MOD Single : A 22 ASN : amide:sc= -0.936 K(o=-0.94,f=-0.12) USER MOD Single : A 24 HIS : no HD1:sc= -9.44! C(o=-9.4!,f=-7!) USER MOD Single : A 28 TYR OH : rot -40:sc= 1.07 USER MOD Single : A 29 ASN : amide:sc= -3.7! K(o=-3.7!,f=-1.6) USER MOD Single : A 32 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 33 THR OG1 : rot 180:sc= 0.0627 USER MOD Single : A 36 ASN : amide:sc= -1.62! C(o=-1.6!,f=-1.8!) USER MOD Single : A 37 ASN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 40 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 41 SER OG : rot 180:sc= 0 USER MOD Single : A 45 THR OG1 : rot 180:sc= 0 USER MOD Single : A 46 TYR OH : rot 180:sc= 0 USER MOD Single : A 47 HIS : no HD1:sc= -3.67! C(o=-3.7!,f=-13!) USER MOD Single : A 54 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Single : A 55 TYR OH : rot 180:sc= 0 USER MOD Single : A 56 THR OG1 : rot -84:sc= 1.64 USER MOD Single : A 59 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 63 SER OG : rot 180:sc= 0 USER MOD ----------------------------------------------------------------- ATOM 1 N GLY A 1 12.233 -3.995 -22.813 1.00 0.00 N ATOM 2 CA GLY A 1 12.842 -2.953 -21.936 1.00 0.00 C ATOM 3 C GLY A 1 11.954 -2.729 -20.717 1.00 0.00 C ATOM 4 O GLY A 1 12.420 -2.789 -19.579 1.00 0.00 O ATOM 0 H1 GLY A 1 12.848 -4.159 -23.635 1.00 0.00 H new ATOM 0 H2 GLY A 1 12.127 -4.880 -22.278 1.00 0.00 H new ATOM 0 H3 GLY A 1 11.299 -3.673 -23.138 1.00 0.00 H new ATOM 0 HA2 GLY A 1 13.838 -3.265 -21.621 1.00 0.00 H new ATOM 0 HA3 GLY A 1 12.960 -2.021 -22.489 1.00 0.00 H new ATOM 10 N SER A 2 10.675 -2.470 -20.963 1.00 0.00 N ATOM 11 CA SER A 2 9.731 -2.237 -19.877 1.00 0.00 C ATOM 12 C SER A 2 9.119 -3.552 -19.407 1.00 0.00 C ATOM 13 O SER A 2 8.937 -4.480 -20.197 1.00 0.00 O ATOM 14 CB SER A 2 8.622 -1.293 -20.342 1.00 0.00 C ATOM 15 OG SER A 2 9.192 -0.041 -20.701 1.00 0.00 O ATOM 0 H SER A 2 10.270 -2.416 -21.898 1.00 0.00 H new ATOM 0 HA SER A 2 10.269 -1.782 -19.045 1.00 0.00 H new ATOM 0 HB2 SER A 2 8.095 -1.724 -21.194 1.00 0.00 H new ATOM 0 HB3 SER A 2 7.887 -1.157 -19.548 1.00 0.00 H new ATOM 0 HG SER A 2 8.484 0.567 -21.001 1.00 0.00 H new ATOM 21 N PHE A 3 8.806 -3.630 -18.117 1.00 0.00 N ATOM 22 CA PHE A 3 8.217 -4.841 -17.557 1.00 0.00 C ATOM 23 C PHE A 3 7.243 -4.497 -16.434 1.00 0.00 C ATOM 24 O PHE A 3 7.030 -5.291 -15.519 1.00 0.00 O ATOM 25 CB PHE A 3 9.321 -5.753 -17.020 1.00 0.00 C ATOM 26 CG PHE A 3 10.393 -5.914 -18.071 1.00 0.00 C ATOM 27 CD1 PHE A 3 10.080 -6.482 -19.311 1.00 0.00 C ATOM 28 CD2 PHE A 3 11.702 -5.495 -17.804 1.00 0.00 C ATOM 29 CE1 PHE A 3 11.075 -6.630 -20.285 1.00 0.00 C ATOM 30 CE2 PHE A 3 12.697 -5.642 -18.777 1.00 0.00 C ATOM 31 CZ PHE A 3 12.384 -6.209 -20.019 1.00 0.00 C ATOM 0 H PHE A 3 8.949 -2.876 -17.445 1.00 0.00 H new ATOM 0 HA PHE A 3 7.670 -5.357 -18.346 1.00 0.00 H new ATOM 0 HB2 PHE A 3 9.748 -5.329 -16.111 1.00 0.00 H new ATOM 0 HB3 PHE A 3 8.907 -6.726 -16.754 1.00 0.00 H new ATOM 0 HD1 PHE A 3 9.071 -6.806 -19.517 1.00 0.00 H new ATOM 0 HD2 PHE A 3 11.944 -5.058 -16.846 1.00 0.00 H new ATOM 0 HE1 PHE A 3 10.833 -7.069 -21.242 1.00 0.00 H new ATOM 0 HE2 PHE A 3 13.706 -5.318 -18.570 1.00 0.00 H new ATOM 0 HZ PHE A 3 13.151 -6.321 -20.771 1.00 0.00 H new ATOM 41 N ARG A 4 6.652 -3.308 -16.514 1.00 0.00 N ATOM 42 CA ARG A 4 5.699 -2.868 -15.502 1.00 0.00 C ATOM 43 C ARG A 4 6.352 -2.826 -14.123 1.00 0.00 C ATOM 44 O ARG A 4 7.549 -2.568 -13.998 1.00 0.00 O ATOM 45 CB ARG A 4 4.498 -3.814 -15.471 1.00 0.00 C ATOM 46 CG ARG A 4 3.265 -3.058 -14.975 1.00 0.00 C ATOM 47 CD ARG A 4 2.387 -2.673 -16.167 1.00 0.00 C ATOM 48 NE ARG A 4 1.580 -1.503 -15.840 1.00 0.00 N ATOM 49 CZ ARG A 4 2.100 -0.280 -15.870 1.00 0.00 C ATOM 50 NH1 ARG A 4 3.351 -0.109 -16.199 1.00 0.00 N ATOM 51 NH2 ARG A 4 1.358 0.751 -15.569 1.00 0.00 N ATOM 0 H ARG A 4 6.815 -2.636 -17.264 1.00 0.00 H new ATOM 0 HA ARG A 4 5.366 -1.863 -15.761 1.00 0.00 H new ATOM 0 HB2 ARG A 4 4.314 -4.218 -16.467 1.00 0.00 H new ATOM 0 HB3 ARG A 4 4.706 -4.661 -14.817 1.00 0.00 H new ATOM 0 HG2 ARG A 4 2.700 -3.679 -14.280 1.00 0.00 H new ATOM 0 HG3 ARG A 4 3.569 -2.164 -14.430 1.00 0.00 H new ATOM 0 HD2 ARG A 4 3.012 -2.462 -17.035 1.00 0.00 H new ATOM 0 HD3 ARG A 4 1.739 -3.507 -16.436 1.00 0.00 H new ATOM 0 HE ARG A 4 0.600 -1.625 -15.584 1.00 0.00 H new ATOM 0 HH11 ARG A 4 3.931 -0.914 -16.434 1.00 0.00 H new ATOM 0 HH12 ARG A 4 3.749 0.830 -16.222 1.00 0.00 H new ATOM 0 HH21 ARG A 4 0.380 0.618 -15.311 1.00 0.00 H new ATOM 0 HH22 ARG A 4 1.756 1.690 -15.592 1.00 0.00 H new ATOM 65 N VAL A 5 5.554 -3.083 -13.090 1.00 0.00 N ATOM 66 CA VAL A 5 6.059 -3.072 -11.722 1.00 0.00 C ATOM 67 C VAL A 5 5.578 -4.307 -10.967 1.00 0.00 C ATOM 68 O VAL A 5 5.166 -5.294 -11.576 1.00 0.00 O ATOM 69 CB VAL A 5 5.578 -1.812 -11.000 1.00 0.00 C ATOM 70 CG1 VAL A 5 5.947 -0.576 -11.826 1.00 0.00 C ATOM 71 CG2 VAL A 5 4.059 -1.872 -10.830 1.00 0.00 C ATOM 0 H VAL A 5 4.561 -3.300 -13.174 1.00 0.00 H new ATOM 0 HA VAL A 5 7.149 -3.079 -11.754 1.00 0.00 H new ATOM 0 HB VAL A 5 6.054 -1.751 -10.021 1.00 0.00 H new ATOM 0 HG11 VAL A 5 5.604 0.321 -11.311 1.00 0.00 H new ATOM 0 HG12 VAL A 5 7.029 -0.532 -11.951 1.00 0.00 H new ATOM 0 HG13 VAL A 5 5.471 -0.637 -12.805 1.00 0.00 H new ATOM 0 HG21 VAL A 5 3.715 -0.975 -10.316 1.00 0.00 H new ATOM 0 HG22 VAL A 5 3.585 -1.933 -11.810 1.00 0.00 H new ATOM 0 HG23 VAL A 5 3.793 -2.751 -10.243 1.00 0.00 H new ATOM 81 N LYS A 6 5.631 -4.249 -9.639 1.00 0.00 N ATOM 82 CA LYS A 6 5.194 -5.375 -8.822 1.00 0.00 C ATOM 83 C LYS A 6 3.893 -5.039 -8.096 1.00 0.00 C ATOM 84 O LYS A 6 2.911 -5.776 -8.198 1.00 0.00 O ATOM 85 CB LYS A 6 6.279 -5.748 -7.806 1.00 0.00 C ATOM 86 CG LYS A 6 6.802 -7.155 -8.101 1.00 0.00 C ATOM 87 CD LYS A 6 7.921 -7.500 -7.114 1.00 0.00 C ATOM 88 CE LYS A 6 8.885 -8.502 -7.752 1.00 0.00 C ATOM 89 NZ LYS A 6 10.154 -8.534 -6.972 1.00 0.00 N ATOM 0 H LYS A 6 5.968 -3.444 -9.111 1.00 0.00 H new ATOM 0 HA LYS A 6 5.017 -6.226 -9.479 1.00 0.00 H new ATOM 0 HB2 LYS A 6 7.097 -5.029 -7.853 1.00 0.00 H new ATOM 0 HB3 LYS A 6 5.874 -5.705 -6.795 1.00 0.00 H new ATOM 0 HG2 LYS A 6 5.993 -7.880 -8.018 1.00 0.00 H new ATOM 0 HG3 LYS A 6 7.175 -7.209 -9.124 1.00 0.00 H new ATOM 0 HD2 LYS A 6 8.458 -6.596 -6.829 1.00 0.00 H new ATOM 0 HD3 LYS A 6 7.497 -7.920 -6.202 1.00 0.00 H new ATOM 0 HE2 LYS A 6 8.434 -9.494 -7.774 1.00 0.00 H new ATOM 0 HE3 LYS A 6 9.088 -8.221 -8.785 1.00 0.00 H new ATOM 0 HZ1 LYS A 6 10.810 -9.215 -7.405 1.00 0.00 H new ATOM 0 HZ2 LYS A 6 10.586 -7.588 -6.973 1.00 0.00 H new ATOM 0 HZ3 LYS A 6 9.953 -8.822 -5.993 1.00 0.00 H new ATOM 103 N PRO A 7 3.861 -3.944 -7.377 1.00 0.00 N ATOM 104 CA PRO A 7 2.641 -3.513 -6.633 1.00 0.00 C ATOM 105 C PRO A 7 1.429 -3.409 -7.554 1.00 0.00 C ATOM 106 O PRO A 7 1.478 -3.837 -8.706 1.00 0.00 O ATOM 107 CB PRO A 7 3.011 -2.137 -6.071 1.00 0.00 C ATOM 108 CG PRO A 7 4.503 -2.083 -6.072 1.00 0.00 C ATOM 109 CD PRO A 7 4.977 -3.003 -7.194 1.00 0.00 C ATOM 0 HA PRO A 7 2.362 -4.227 -5.858 1.00 0.00 H new ATOM 0 HB2 PRO A 7 2.591 -1.339 -6.683 1.00 0.00 H new ATOM 0 HB3 PRO A 7 2.616 -2.007 -5.063 1.00 0.00 H new ATOM 0 HG2 PRO A 7 4.853 -1.063 -6.234 1.00 0.00 H new ATOM 0 HG3 PRO A 7 4.902 -2.408 -5.111 1.00 0.00 H new ATOM 0 HD2 PRO A 7 5.183 -2.445 -8.108 1.00 0.00 H new ATOM 0 HD3 PRO A 7 5.897 -3.522 -6.923 1.00 0.00 H new ATOM 117 N CYS A 8 0.348 -2.828 -7.045 1.00 0.00 N ATOM 118 CA CYS A 8 -0.858 -2.666 -7.846 1.00 0.00 C ATOM 119 C CYS A 8 -0.830 -1.336 -8.580 1.00 0.00 C ATOM 120 O CYS A 8 0.151 -0.603 -8.530 1.00 0.00 O ATOM 121 CB CYS A 8 -2.106 -2.724 -6.964 1.00 0.00 C ATOM 122 SG CYS A 8 -2.626 -4.444 -6.758 1.00 0.00 S ATOM 0 H CYS A 8 0.282 -2.466 -6.094 1.00 0.00 H new ATOM 0 HA CYS A 8 -0.892 -3.481 -8.568 1.00 0.00 H new ATOM 0 HB2 CYS A 8 -1.897 -2.278 -5.992 1.00 0.00 H new ATOM 0 HB3 CYS A 8 -2.910 -2.142 -7.415 1.00 0.00 H new ATOM 127 N VAL A 9 -1.933 -1.032 -9.234 1.00 0.00 N ATOM 128 CA VAL A 9 -2.086 0.212 -9.966 1.00 0.00 C ATOM 129 C VAL A 9 -3.557 0.525 -9.987 1.00 0.00 C ATOM 130 O VAL A 9 -4.117 0.948 -10.998 1.00 0.00 O ATOM 131 CB VAL A 9 -1.539 0.085 -11.394 1.00 0.00 C ATOM 132 CG1 VAL A 9 -2.457 -0.821 -12.217 1.00 0.00 C ATOM 133 CG2 VAL A 9 -1.478 1.471 -12.039 1.00 0.00 C ATOM 0 H VAL A 9 -2.751 -1.641 -9.274 1.00 0.00 H new ATOM 0 HA VAL A 9 -1.522 1.011 -9.485 1.00 0.00 H new ATOM 0 HB VAL A 9 -0.539 -0.348 -11.363 1.00 0.00 H new ATOM 0 HG11 VAL A 9 -2.067 -0.910 -13.231 1.00 0.00 H new ATOM 0 HG12 VAL A 9 -2.501 -1.808 -11.757 1.00 0.00 H new ATOM 0 HG13 VAL A 9 -3.458 -0.391 -12.250 1.00 0.00 H new ATOM 0 HG21 VAL A 9 -1.090 1.383 -13.054 1.00 0.00 H new ATOM 0 HG22 VAL A 9 -2.478 1.903 -12.069 1.00 0.00 H new ATOM 0 HG23 VAL A 9 -0.822 2.116 -11.454 1.00 0.00 H new ATOM 143 N VAL A 10 -4.181 0.255 -8.849 1.00 0.00 N ATOM 144 CA VAL A 10 -5.601 0.451 -8.710 1.00 0.00 C ATOM 145 C VAL A 10 -6.304 -0.705 -9.377 1.00 0.00 C ATOM 146 O VAL A 10 -7.493 -0.943 -9.165 1.00 0.00 O ATOM 147 CB VAL A 10 -6.017 1.753 -9.372 1.00 0.00 C ATOM 148 CG1 VAL A 10 -7.297 2.272 -8.721 1.00 0.00 C ATOM 149 CG2 VAL A 10 -4.903 2.790 -9.204 1.00 0.00 C ATOM 0 H VAL A 10 -3.718 -0.101 -8.013 1.00 0.00 H new ATOM 0 HA VAL A 10 -5.868 0.500 -7.654 1.00 0.00 H new ATOM 0 HB VAL A 10 -6.195 1.579 -10.433 1.00 0.00 H new ATOM 0 HG11 VAL A 10 -7.594 3.206 -9.197 1.00 0.00 H new ATOM 0 HG12 VAL A 10 -8.091 1.535 -8.841 1.00 0.00 H new ATOM 0 HG13 VAL A 10 -7.121 2.446 -7.659 1.00 0.00 H new ATOM 0 HG21 VAL A 10 -5.201 3.725 -9.679 1.00 0.00 H new ATOM 0 HG22 VAL A 10 -4.724 2.963 -8.143 1.00 0.00 H new ATOM 0 HG23 VAL A 10 -3.989 2.421 -9.670 1.00 0.00 H new ATOM 159 N CYS A 11 -5.553 -1.406 -10.220 1.00 0.00 N ATOM 160 CA CYS A 11 -6.108 -2.519 -10.953 1.00 0.00 C ATOM 161 C CYS A 11 -7.414 -2.051 -11.543 1.00 0.00 C ATOM 162 O CYS A 11 -8.237 -2.835 -12.015 1.00 0.00 O ATOM 163 CB CYS A 11 -6.314 -3.717 -10.032 1.00 0.00 C ATOM 164 SG CYS A 11 -4.730 -4.556 -9.793 1.00 0.00 S ATOM 0 H CYS A 11 -4.568 -1.219 -10.406 1.00 0.00 H new ATOM 0 HA CYS A 11 -5.431 -2.844 -11.743 1.00 0.00 H new ATOM 0 HB2 CYS A 11 -6.715 -3.390 -9.073 1.00 0.00 H new ATOM 0 HB3 CYS A 11 -7.042 -4.403 -10.464 1.00 0.00 H new ATOM 169 N LYS A 12 -7.568 -0.733 -11.506 1.00 0.00 N ATOM 170 CA LYS A 12 -8.748 -0.086 -12.030 1.00 0.00 C ATOM 171 C LYS A 12 -9.971 -0.854 -11.601 1.00 0.00 C ATOM 172 O LYS A 12 -11.076 -0.654 -12.105 1.00 0.00 O ATOM 173 CB LYS A 12 -8.625 -0.010 -13.543 1.00 0.00 C ATOM 174 CG LYS A 12 -7.161 0.314 -13.867 1.00 0.00 C ATOM 175 CD LYS A 12 -6.383 -0.956 -14.228 1.00 0.00 C ATOM 176 CE LYS A 12 -5.280 -0.610 -15.230 1.00 0.00 C ATOM 177 NZ LYS A 12 -5.890 -0.037 -16.464 1.00 0.00 N ATOM 0 H LYS A 12 -6.879 -0.092 -11.113 1.00 0.00 H new ATOM 0 HA LYS A 12 -8.844 0.928 -11.641 1.00 0.00 H new ATOM 0 HB2 LYS A 12 -8.920 -0.955 -14.000 1.00 0.00 H new ATOM 0 HB3 LYS A 12 -9.286 0.758 -13.944 1.00 0.00 H new ATOM 0 HG2 LYS A 12 -7.116 1.020 -14.696 1.00 0.00 H new ATOM 0 HG3 LYS A 12 -6.694 0.799 -13.010 1.00 0.00 H new ATOM 0 HD2 LYS A 12 -5.949 -1.397 -13.331 1.00 0.00 H new ATOM 0 HD3 LYS A 12 -7.057 -1.699 -14.654 1.00 0.00 H new ATOM 0 HE2 LYS A 12 -4.585 0.105 -14.789 1.00 0.00 H new ATOM 0 HE3 LYS A 12 -4.705 -1.503 -15.477 1.00 0.00 H new ATOM 0 HZ1 LYS A 12 -5.498 -0.516 -17.300 1.00 0.00 H new ATOM 0 HZ2 LYS A 12 -6.920 -0.175 -16.438 1.00 0.00 H new ATOM 0 HZ3 LYS A 12 -5.678 0.980 -16.516 1.00 0.00 H new ATOM 191 N VAL A 13 -9.744 -1.719 -10.635 1.00 0.00 N ATOM 192 CA VAL A 13 -10.807 -2.529 -10.073 1.00 0.00 C ATOM 193 C VAL A 13 -10.769 -2.412 -8.559 1.00 0.00 C ATOM 194 O VAL A 13 -11.504 -3.101 -7.851 1.00 0.00 O ATOM 195 CB VAL A 13 -10.628 -3.989 -10.483 1.00 0.00 C ATOM 196 CG1 VAL A 13 -9.488 -4.593 -9.669 1.00 0.00 C ATOM 197 CG2 VAL A 13 -11.920 -4.764 -10.212 1.00 0.00 C ATOM 0 H VAL A 13 -8.827 -1.881 -10.219 1.00 0.00 H new ATOM 0 HA VAL A 13 -11.768 -2.177 -10.447 1.00 0.00 H new ATOM 0 HB VAL A 13 -10.396 -4.048 -11.546 1.00 0.00 H new ATOM 0 HG11 VAL A 13 -9.351 -5.636 -9.953 1.00 0.00 H new ATOM 0 HG12 VAL A 13 -8.569 -4.040 -9.864 1.00 0.00 H new ATOM 0 HG13 VAL A 13 -9.728 -4.535 -8.607 1.00 0.00 H new ATOM 0 HG21 VAL A 13 -11.788 -5.805 -10.506 1.00 0.00 H new ATOM 0 HG22 VAL A 13 -12.158 -4.714 -9.149 1.00 0.00 H new ATOM 0 HG23 VAL A 13 -12.735 -4.325 -10.787 1.00 0.00 H new ATOM 207 N ALA A 14 -9.895 -1.537 -8.067 1.00 0.00 N ATOM 208 CA ALA A 14 -9.764 -1.346 -6.629 1.00 0.00 C ATOM 209 C ALA A 14 -8.843 -0.163 -6.309 1.00 0.00 C ATOM 210 O ALA A 14 -7.968 0.176 -7.104 1.00 0.00 O ATOM 211 CB ALA A 14 -9.186 -2.614 -6.011 1.00 0.00 C ATOM 0 H ALA A 14 -9.276 -0.958 -8.635 1.00 0.00 H new ATOM 0 HA ALA A 14 -10.750 -1.134 -6.216 1.00 0.00 H new ATOM 0 HB1 ALA A 14 -9.084 -2.480 -4.934 1.00 0.00 H new ATOM 0 HB2 ALA A 14 -9.853 -3.453 -6.211 1.00 0.00 H new ATOM 0 HB3 ALA A 14 -8.207 -2.817 -6.445 1.00 0.00 H new ATOM 217 N PRO A 15 -9.012 0.465 -5.167 1.00 0.00 N ATOM 218 CA PRO A 15 -8.168 1.616 -4.743 1.00 0.00 C ATOM 219 C PRO A 15 -6.958 1.192 -3.905 1.00 0.00 C ATOM 220 O PRO A 15 -7.023 1.217 -2.675 1.00 0.00 O ATOM 221 CB PRO A 15 -9.141 2.425 -3.896 1.00 0.00 C ATOM 222 CG PRO A 15 -9.985 1.395 -3.213 1.00 0.00 C ATOM 223 CD PRO A 15 -10.033 0.171 -4.142 1.00 0.00 C ATOM 0 HA PRO A 15 -7.738 2.152 -5.589 1.00 0.00 H new ATOM 0 HB2 PRO A 15 -8.615 3.050 -3.174 1.00 0.00 H new ATOM 0 HB3 PRO A 15 -9.746 3.090 -4.512 1.00 0.00 H new ATOM 0 HG2 PRO A 15 -9.561 1.129 -2.245 1.00 0.00 H new ATOM 0 HG3 PRO A 15 -10.988 1.779 -3.027 1.00 0.00 H new ATOM 0 HD2 PRO A 15 -9.805 -0.749 -3.603 1.00 0.00 H new ATOM 0 HD3 PRO A 15 -11.020 0.045 -4.586 1.00 0.00 H new ATOM 231 N ARG A 16 -5.865 0.808 -4.574 1.00 0.00 N ATOM 232 CA ARG A 16 -4.646 0.386 -3.880 1.00 0.00 C ATOM 233 C ARG A 16 -4.678 0.855 -2.434 1.00 0.00 C ATOM 234 O ARG A 16 -4.106 1.890 -2.090 1.00 0.00 O ATOM 235 CB ARG A 16 -3.388 0.942 -4.571 1.00 0.00 C ATOM 236 CG ARG A 16 -3.756 1.694 -5.857 1.00 0.00 C ATOM 237 CD ARG A 16 -2.626 2.666 -6.220 1.00 0.00 C ATOM 238 NE ARG A 16 -1.533 1.957 -6.877 1.00 0.00 N ATOM 239 CZ ARG A 16 -0.558 2.618 -7.490 1.00 0.00 C ATOM 240 NH1 ARG A 16 -0.570 3.924 -7.513 1.00 0.00 N ATOM 241 NH2 ARG A 16 0.412 1.965 -8.069 1.00 0.00 N ATOM 0 H ARG A 16 -5.801 0.781 -5.592 1.00 0.00 H new ATOM 0 HA ARG A 16 -4.605 -0.703 -3.912 1.00 0.00 H new ATOM 0 HB2 ARG A 16 -2.861 1.612 -3.891 1.00 0.00 H new ATOM 0 HB3 ARG A 16 -2.706 0.125 -4.805 1.00 0.00 H new ATOM 0 HG2 ARG A 16 -3.918 0.987 -6.671 1.00 0.00 H new ATOM 0 HG3 ARG A 16 -4.689 2.240 -5.718 1.00 0.00 H new ATOM 0 HD2 ARG A 16 -3.008 3.447 -6.877 1.00 0.00 H new ATOM 0 HD3 ARG A 16 -2.259 3.158 -5.320 1.00 0.00 H new ATOM 0 HE ARG A 16 -1.518 0.937 -6.865 1.00 0.00 H new ATOM 0 HH11 ARG A 16 -1.328 4.435 -7.060 1.00 0.00 H new ATOM 0 HH12 ARG A 16 0.178 4.433 -7.984 1.00 0.00 H new ATOM 0 HH21 ARG A 16 0.422 0.945 -8.051 1.00 0.00 H new ATOM 0 HH22 ARG A 16 1.160 2.474 -8.539 1.00 0.00 H new ATOM 255 N ASP A 17 -5.366 0.083 -1.605 1.00 0.00 N ATOM 256 CA ASP A 17 -5.505 0.402 -0.184 1.00 0.00 C ATOM 257 C ASP A 17 -4.464 1.430 0.242 1.00 0.00 C ATOM 258 O ASP A 17 -3.262 1.190 0.138 1.00 0.00 O ATOM 259 CB ASP A 17 -5.348 -0.867 0.656 1.00 0.00 C ATOM 260 CG ASP A 17 -6.696 -1.273 1.244 1.00 0.00 C ATOM 261 OD1 ASP A 17 -7.691 -1.117 0.557 1.00 0.00 O ATOM 262 OD2 ASP A 17 -6.712 -1.736 2.373 1.00 0.00 O ATOM 0 H ASP A 17 -5.840 -0.774 -1.890 1.00 0.00 H new ATOM 0 HA ASP A 17 -6.498 0.822 -0.023 1.00 0.00 H new ATOM 0 HB2 ASP A 17 -4.953 -1.674 0.040 1.00 0.00 H new ATOM 0 HB3 ASP A 17 -4.629 -0.696 1.457 1.00 0.00 H new ATOM 267 N TRP A 18 -4.927 2.579 0.715 1.00 0.00 N ATOM 268 CA TRP A 18 -4.006 3.622 1.139 1.00 0.00 C ATOM 269 C TRP A 18 -4.502 4.327 2.394 1.00 0.00 C ATOM 270 O TRP A 18 -5.693 4.309 2.706 1.00 0.00 O ATOM 271 CB TRP A 18 -3.814 4.645 0.020 1.00 0.00 C ATOM 272 CG TRP A 18 -5.001 5.554 -0.039 1.00 0.00 C ATOM 273 CD1 TRP A 18 -6.262 5.212 0.317 1.00 0.00 C ATOM 274 CD2 TRP A 18 -5.062 6.945 -0.473 1.00 0.00 C ATOM 275 NE1 TRP A 18 -7.090 6.304 0.130 1.00 0.00 N ATOM 276 CE2 TRP A 18 -6.397 7.396 -0.355 1.00 0.00 C ATOM 277 CE3 TRP A 18 -4.096 7.848 -0.952 1.00 0.00 C ATOM 278 CZ2 TRP A 18 -6.762 8.699 -0.700 1.00 0.00 C ATOM 279 CZ3 TRP A 18 -4.460 9.160 -1.301 1.00 0.00 C ATOM 280 CH2 TRP A 18 -5.790 9.583 -1.174 1.00 0.00 C ATOM 0 H TRP A 18 -5.916 2.809 0.813 1.00 0.00 H new ATOM 0 HA TRP A 18 -3.052 3.146 1.367 1.00 0.00 H new ATOM 0 HB2 TRP A 18 -2.908 5.225 0.195 1.00 0.00 H new ATOM 0 HB3 TRP A 18 -3.686 4.135 -0.935 1.00 0.00 H new ATOM 0 HD1 TRP A 18 -6.571 4.245 0.686 1.00 0.00 H new ATOM 0 HE1 TRP A 18 -8.091 6.303 0.326 1.00 0.00 H new ATOM 0 HE3 TRP A 18 -3.068 7.531 -1.052 1.00 0.00 H new ATOM 0 HZ2 TRP A 18 -7.788 9.021 -0.601 1.00 0.00 H new ATOM 0 HZ3 TRP A 18 -3.711 9.846 -1.669 1.00 0.00 H new ATOM 0 HH2 TRP A 18 -6.063 10.593 -1.443 1.00 0.00 H new ATOM 291 N ARG A 19 -3.571 4.946 3.107 1.00 0.00 N ATOM 292 CA ARG A 19 -3.898 5.661 4.330 1.00 0.00 C ATOM 293 C ARG A 19 -3.068 6.936 4.427 1.00 0.00 C ATOM 294 O ARG A 19 -2.051 7.075 3.748 1.00 0.00 O ATOM 295 CB ARG A 19 -3.633 4.760 5.537 1.00 0.00 C ATOM 296 CG ARG A 19 -3.984 5.504 6.827 1.00 0.00 C ATOM 297 CD ARG A 19 -4.698 4.553 7.789 1.00 0.00 C ATOM 298 NE ARG A 19 -4.201 3.191 7.617 1.00 0.00 N ATOM 299 CZ ARG A 19 -3.361 2.644 8.494 1.00 0.00 C ATOM 300 NH1 ARG A 19 -2.934 3.335 9.517 1.00 0.00 N ATOM 301 NH2 ARG A 19 -2.956 1.415 8.326 1.00 0.00 N ATOM 0 H ARG A 19 -2.582 4.967 2.858 1.00 0.00 H new ATOM 0 HA ARG A 19 -4.953 5.935 4.317 1.00 0.00 H new ATOM 0 HB2 ARG A 19 -4.226 3.849 5.459 1.00 0.00 H new ATOM 0 HB3 ARG A 19 -2.586 4.458 5.554 1.00 0.00 H new ATOM 0 HG2 ARG A 19 -3.079 5.895 7.291 1.00 0.00 H new ATOM 0 HG3 ARG A 19 -4.622 6.359 6.604 1.00 0.00 H new ATOM 0 HD2 ARG A 19 -4.539 4.878 8.817 1.00 0.00 H new ATOM 0 HD3 ARG A 19 -5.773 4.581 7.608 1.00 0.00 H new ATOM 0 HE ARG A 19 -4.503 2.647 6.809 1.00 0.00 H new ATOM 0 HH11 ARG A 19 -3.244 4.298 9.647 1.00 0.00 H new ATOM 0 HH12 ARG A 19 -2.291 2.911 10.186 1.00 0.00 H new ATOM 0 HH21 ARG A 19 -3.283 0.875 7.524 1.00 0.00 H new ATOM 0 HH22 ARG A 19 -2.313 0.994 8.996 1.00 0.00 H new ATOM 315 N VAL A 20 -3.504 7.866 5.269 1.00 0.00 N ATOM 316 CA VAL A 20 -2.786 9.123 5.430 1.00 0.00 C ATOM 317 C VAL A 20 -2.059 9.138 6.768 1.00 0.00 C ATOM 318 O VAL A 20 -2.657 8.912 7.820 1.00 0.00 O ATOM 319 CB VAL A 20 -3.765 10.298 5.342 1.00 0.00 C ATOM 320 CG1 VAL A 20 -4.976 9.891 4.502 1.00 0.00 C ATOM 321 CG2 VAL A 20 -4.235 10.692 6.746 1.00 0.00 C ATOM 0 H VAL A 20 -4.341 7.775 5.844 1.00 0.00 H new ATOM 0 HA VAL A 20 -2.050 9.220 4.631 1.00 0.00 H new ATOM 0 HB VAL A 20 -3.262 11.147 4.878 1.00 0.00 H new ATOM 0 HG11 VAL A 20 -5.673 10.727 4.439 1.00 0.00 H new ATOM 0 HG12 VAL A 20 -4.648 9.616 3.500 1.00 0.00 H new ATOM 0 HG13 VAL A 20 -5.472 9.039 4.968 1.00 0.00 H new ATOM 0 HG21 VAL A 20 -4.931 11.528 6.675 1.00 0.00 H new ATOM 0 HG22 VAL A 20 -4.734 9.843 7.214 1.00 0.00 H new ATOM 0 HG23 VAL A 20 -3.375 10.985 7.349 1.00 0.00 H new ATOM 331 N LYS A 21 -0.754 9.377 6.707 1.00 0.00 N ATOM 332 CA LYS A 21 0.069 9.387 7.907 1.00 0.00 C ATOM 333 C LYS A 21 0.899 10.667 7.995 1.00 0.00 C ATOM 334 O LYS A 21 1.092 11.361 7.001 1.00 0.00 O ATOM 335 CB LYS A 21 0.992 8.165 7.883 1.00 0.00 C ATOM 336 CG LYS A 21 1.446 7.808 9.304 1.00 0.00 C ATOM 337 CD LYS A 21 1.593 6.289 9.423 1.00 0.00 C ATOM 338 CE LYS A 21 0.219 5.657 9.666 1.00 0.00 C ATOM 339 NZ LYS A 21 0.286 4.193 9.388 1.00 0.00 N ATOM 0 H LYS A 21 -0.246 9.565 5.843 1.00 0.00 H new ATOM 0 HA LYS A 21 -0.580 9.350 8.782 1.00 0.00 H new ATOM 0 HB2 LYS A 21 0.472 7.317 7.437 1.00 0.00 H new ATOM 0 HB3 LYS A 21 1.861 8.370 7.258 1.00 0.00 H new ATOM 0 HG2 LYS A 21 2.395 8.295 9.528 1.00 0.00 H new ATOM 0 HG3 LYS A 21 0.721 8.173 10.032 1.00 0.00 H new ATOM 0 HD2 LYS A 21 2.035 5.884 8.513 1.00 0.00 H new ATOM 0 HD3 LYS A 21 2.268 6.042 10.242 1.00 0.00 H new ATOM 0 HE2 LYS A 21 -0.094 5.828 10.696 1.00 0.00 H new ATOM 0 HE3 LYS A 21 -0.527 6.126 9.024 1.00 0.00 H new ATOM 0 HZ1 LYS A 21 -0.445 3.701 9.940 1.00 0.00 H new ATOM 0 HZ2 LYS A 21 0.126 4.024 8.374 1.00 0.00 H new ATOM 0 HZ3 LYS A 21 1.224 3.831 9.656 1.00 0.00 H new ATOM 353 N ASN A 22 1.377 10.964 9.202 1.00 0.00 N ATOM 354 CA ASN A 22 2.188 12.157 9.455 1.00 0.00 C ATOM 355 C ASN A 22 2.623 12.852 8.164 1.00 0.00 C ATOM 356 O ASN A 22 3.677 12.547 7.607 1.00 0.00 O ATOM 357 CB ASN A 22 3.432 11.767 10.255 1.00 0.00 C ATOM 358 CG ASN A 22 3.134 11.835 11.748 1.00 0.00 C ATOM 359 OD1 ASN A 22 3.563 10.967 12.507 1.00 0.00 O ATOM 360 ND2 ASN A 22 2.420 12.822 12.217 1.00 0.00 N ATOM 0 H ASN A 22 1.215 10.389 10.029 1.00 0.00 H new ATOM 0 HA ASN A 22 1.569 12.857 10.017 1.00 0.00 H new ATOM 0 HB2 ASN A 22 3.747 10.759 9.984 1.00 0.00 H new ATOM 0 HB3 ASN A 22 4.257 12.436 10.010 1.00 0.00 H new ATOM 0 HD21 ASN A 22 2.216 12.875 13.215 1.00 0.00 H new ATOM 0 HD22 ASN A 22 2.066 13.540 11.585 1.00 0.00 H new ATOM 367 N ARG A 23 1.809 13.801 7.706 1.00 0.00 N ATOM 368 CA ARG A 23 2.116 14.557 6.491 1.00 0.00 C ATOM 369 C ARG A 23 2.558 13.635 5.356 1.00 0.00 C ATOM 370 O ARG A 23 2.878 14.094 4.260 1.00 0.00 O ATOM 371 CB ARG A 23 3.223 15.575 6.778 1.00 0.00 C ATOM 372 CG ARG A 23 2.597 16.939 7.080 1.00 0.00 C ATOM 373 CD ARG A 23 3.694 17.938 7.455 1.00 0.00 C ATOM 374 NE ARG A 23 3.925 17.916 8.894 1.00 0.00 N ATOM 375 CZ ARG A 23 4.818 17.093 9.434 1.00 0.00 C ATOM 376 NH1 ARG A 23 5.512 16.292 8.673 1.00 0.00 N ATOM 377 NH2 ARG A 23 5.002 17.088 10.727 1.00 0.00 N ATOM 0 H ARG A 23 0.933 14.065 8.156 1.00 0.00 H new ATOM 0 HA ARG A 23 1.207 15.072 6.180 1.00 0.00 H new ATOM 0 HB2 ARG A 23 3.825 15.244 7.624 1.00 0.00 H new ATOM 0 HB3 ARG A 23 3.892 15.652 5.921 1.00 0.00 H new ATOM 0 HG2 ARG A 23 2.047 17.298 6.210 1.00 0.00 H new ATOM 0 HG3 ARG A 23 1.880 16.848 7.896 1.00 0.00 H new ATOM 0 HD2 ARG A 23 4.616 17.692 6.928 1.00 0.00 H new ATOM 0 HD3 ARG A 23 3.405 18.941 7.141 1.00 0.00 H new ATOM 0 HE ARG A 23 3.392 18.543 9.497 1.00 0.00 H new ATOM 0 HH11 ARG A 23 5.369 16.297 7.663 1.00 0.00 H new ATOM 0 HH12 ARG A 23 6.197 15.661 9.088 1.00 0.00 H new ATOM 0 HH21 ARG A 23 4.461 17.715 11.322 1.00 0.00 H new ATOM 0 HH22 ARG A 23 5.687 16.457 11.142 1.00 0.00 H new ATOM 391 N HIS A 24 2.568 12.337 5.626 1.00 0.00 N ATOM 392 CA HIS A 24 2.966 11.357 4.629 1.00 0.00 C ATOM 393 C HIS A 24 1.763 10.550 4.175 1.00 0.00 C ATOM 394 O HIS A 24 0.740 10.495 4.857 1.00 0.00 O ATOM 395 CB HIS A 24 4.007 10.399 5.213 1.00 0.00 C ATOM 396 CG HIS A 24 5.049 11.182 5.962 1.00 0.00 C ATOM 397 ND1 HIS A 24 5.785 10.630 7.000 1.00 0.00 N ATOM 398 CD2 HIS A 24 5.487 12.477 5.840 1.00 0.00 C ATOM 399 CE1 HIS A 24 6.617 11.583 7.457 1.00 0.00 C ATOM 400 NE2 HIS A 24 6.477 12.728 6.786 1.00 0.00 N ATOM 0 H HIS A 24 2.305 11.940 6.528 1.00 0.00 H new ATOM 0 HA HIS A 24 3.393 11.891 3.780 1.00 0.00 H new ATOM 0 HB2 HIS A 24 3.525 9.685 5.880 1.00 0.00 H new ATOM 0 HB3 HIS A 24 4.475 9.823 4.414 1.00 0.00 H new ATOM 0 HD2 HIS A 24 5.119 13.193 5.119 1.00 0.00 H new ATOM 0 HE1 HIS A 24 7.314 11.439 8.269 1.00 0.00 H new ATOM 0 HE2 HIS A 24 6.986 13.599 6.934 1.00 0.00 H new ATOM 409 N LEU A 25 1.907 9.899 3.034 1.00 0.00 N ATOM 410 CA LEU A 25 0.843 9.067 2.510 1.00 0.00 C ATOM 411 C LEU A 25 1.242 7.619 2.692 1.00 0.00 C ATOM 412 O LEU A 25 2.419 7.320 2.872 1.00 0.00 O ATOM 413 CB LEU A 25 0.622 9.343 1.020 1.00 0.00 C ATOM 414 CG LEU A 25 0.031 10.741 0.833 1.00 0.00 C ATOM 415 CD1 LEU A 25 1.134 11.705 0.393 1.00 0.00 C ATOM 416 CD2 LEU A 25 -1.059 10.696 -0.239 1.00 0.00 C ATOM 0 H LEU A 25 2.747 9.931 2.456 1.00 0.00 H new ATOM 0 HA LEU A 25 -0.083 9.287 3.042 1.00 0.00 H new ATOM 0 HB2 LEU A 25 1.567 9.263 0.482 1.00 0.00 H new ATOM 0 HB3 LEU A 25 -0.049 8.595 0.598 1.00 0.00 H new ATOM 0 HG LEU A 25 -0.398 11.082 1.775 1.00 0.00 H new ATOM 0 HD11 LEU A 25 0.714 12.702 0.259 1.00 0.00 H new ATOM 0 HD12 LEU A 25 1.913 11.739 1.155 1.00 0.00 H new ATOM 0 HD13 LEU A 25 1.562 11.362 -0.549 1.00 0.00 H new ATOM 0 HD21 LEU A 25 -1.480 11.693 -0.372 1.00 0.00 H new ATOM 0 HD22 LEU A 25 -0.629 10.355 -1.181 1.00 0.00 H new ATOM 0 HD23 LEU A 25 -1.846 10.008 0.071 1.00 0.00 H new ATOM 428 N ARG A 26 0.275 6.726 2.659 1.00 0.00 N ATOM 429 CA ARG A 26 0.574 5.318 2.832 1.00 0.00 C ATOM 430 C ARG A 26 -0.200 4.496 1.824 1.00 0.00 C ATOM 431 O ARG A 26 -1.427 4.474 1.842 1.00 0.00 O ATOM 432 CB ARG A 26 0.210 4.871 4.248 1.00 0.00 C ATOM 433 CG ARG A 26 0.376 3.353 4.377 1.00 0.00 C ATOM 434 CD ARG A 26 -0.115 2.905 5.755 1.00 0.00 C ATOM 435 NE ARG A 26 0.599 1.708 6.182 1.00 0.00 N ATOM 436 CZ ARG A 26 1.685 1.790 6.947 1.00 0.00 C ATOM 437 NH1 ARG A 26 2.128 2.957 7.329 1.00 0.00 N ATOM 438 NH2 ARG A 26 2.305 0.703 7.317 1.00 0.00 N ATOM 0 H ARG A 26 -0.711 6.944 2.516 1.00 0.00 H new ATOM 0 HA ARG A 26 1.642 5.166 2.675 1.00 0.00 H new ATOM 0 HB2 ARG A 26 0.847 5.378 4.973 1.00 0.00 H new ATOM 0 HB3 ARG A 26 -0.818 5.153 4.474 1.00 0.00 H new ATOM 0 HG2 ARG A 26 -0.189 2.846 3.595 1.00 0.00 H new ATOM 0 HG3 ARG A 26 1.422 3.078 4.244 1.00 0.00 H new ATOM 0 HD2 ARG A 26 0.036 3.705 6.480 1.00 0.00 H new ATOM 0 HD3 ARG A 26 -1.186 2.705 5.720 1.00 0.00 H new ATOM 0 HE ARG A 26 0.260 0.791 5.889 1.00 0.00 H new ATOM 0 HH11 ARG A 26 1.642 3.806 7.041 1.00 0.00 H new ATOM 0 HH12 ARG A 26 2.960 3.020 7.915 1.00 0.00 H new ATOM 0 HH21 ARG A 26 1.957 -0.209 7.020 1.00 0.00 H new ATOM 0 HH22 ARG A 26 3.137 0.765 7.903 1.00 0.00 H new ATOM 452 N ILE A 27 0.523 3.815 0.951 1.00 0.00 N ATOM 453 CA ILE A 27 -0.114 2.983 -0.053 1.00 0.00 C ATOM 454 C ILE A 27 0.152 1.515 0.262 1.00 0.00 C ATOM 455 O ILE A 27 1.124 1.182 0.940 1.00 0.00 O ATOM 456 CB ILE A 27 0.405 3.344 -1.457 1.00 0.00 C ATOM 457 CG1 ILE A 27 -0.740 3.941 -2.284 1.00 0.00 C ATOM 458 CG2 ILE A 27 0.942 2.099 -2.174 1.00 0.00 C ATOM 459 CD1 ILE A 27 -0.174 4.597 -3.544 1.00 0.00 C ATOM 0 H ILE A 27 1.542 3.822 0.917 1.00 0.00 H new ATOM 0 HA ILE A 27 -1.190 3.158 -0.038 1.00 0.00 H new ATOM 0 HB ILE A 27 1.213 4.068 -1.352 1.00 0.00 H new ATOM 0 HG12 ILE A 27 -1.451 3.161 -2.556 1.00 0.00 H new ATOM 0 HG13 ILE A 27 -1.285 4.677 -1.692 1.00 0.00 H new ATOM 0 HG21 ILE A 27 1.304 2.377 -3.164 1.00 0.00 H new ATOM 0 HG22 ILE A 27 1.761 1.671 -1.596 1.00 0.00 H new ATOM 0 HG23 ILE A 27 0.144 1.363 -2.273 1.00 0.00 H new ATOM 0 HD11 ILE A 27 -0.989 5.021 -4.131 1.00 0.00 H new ATOM 0 HD12 ILE A 27 0.520 5.389 -3.262 1.00 0.00 H new ATOM 0 HD13 ILE A 27 0.351 3.850 -4.139 1.00 0.00 H new ATOM 471 N TYR A 28 -0.714 0.644 -0.231 1.00 0.00 N ATOM 472 CA TYR A 28 -0.565 -0.790 0.003 1.00 0.00 C ATOM 473 C TYR A 28 -0.138 -1.471 -1.291 1.00 0.00 C ATOM 474 O TYR A 28 -0.732 -1.247 -2.345 1.00 0.00 O ATOM 475 CB TYR A 28 -1.888 -1.394 0.492 1.00 0.00 C ATOM 476 CG TYR A 28 -2.050 -1.223 1.995 1.00 0.00 C ATOM 477 CD1 TYR A 28 -1.306 -0.265 2.703 1.00 0.00 C ATOM 478 CD2 TYR A 28 -2.957 -2.041 2.683 1.00 0.00 C ATOM 479 CE1 TYR A 28 -1.469 -0.132 4.087 1.00 0.00 C ATOM 480 CE2 TYR A 28 -3.120 -1.903 4.067 1.00 0.00 C ATOM 481 CZ TYR A 28 -2.375 -0.949 4.769 1.00 0.00 C ATOM 482 OH TYR A 28 -2.531 -0.815 6.133 1.00 0.00 O ATOM 0 H TYR A 28 -1.525 0.900 -0.794 1.00 0.00 H new ATOM 0 HA TYR A 28 0.194 -0.947 0.770 1.00 0.00 H new ATOM 0 HB2 TYR A 28 -2.721 -0.916 -0.023 1.00 0.00 H new ATOM 0 HB3 TYR A 28 -1.923 -2.453 0.238 1.00 0.00 H new ATOM 0 HD1 TYR A 28 -0.607 0.370 2.179 1.00 0.00 H new ATOM 0 HD2 TYR A 28 -3.532 -2.780 2.144 1.00 0.00 H new ATOM 0 HE1 TYR A 28 -0.893 0.604 4.629 1.00 0.00 H new ATOM 0 HE2 TYR A 28 -3.821 -2.534 4.593 1.00 0.00 H new ATOM 0 HH TYR A 28 -1.656 -0.669 6.550 1.00 0.00 H new ATOM 492 N ASN A 29 0.910 -2.281 -1.209 1.00 0.00 N ATOM 493 CA ASN A 29 1.425 -2.964 -2.390 1.00 0.00 C ATOM 494 C ASN A 29 0.292 -3.517 -3.246 1.00 0.00 C ATOM 495 O ASN A 29 0.497 -3.844 -4.415 1.00 0.00 O ATOM 496 CB ASN A 29 2.358 -4.104 -1.980 1.00 0.00 C ATOM 497 CG ASN A 29 3.785 -3.587 -1.845 1.00 0.00 C ATOM 498 OD1 ASN A 29 4.727 -4.235 -2.300 1.00 0.00 O ATOM 499 ND2 ASN A 29 4.002 -2.451 -1.242 1.00 0.00 N ATOM 0 H ASN A 29 1.416 -2.480 -0.346 1.00 0.00 H new ATOM 0 HA ASN A 29 1.980 -2.234 -2.979 1.00 0.00 H new ATOM 0 HB2 ASN A 29 2.027 -4.533 -1.034 1.00 0.00 H new ATOM 0 HB3 ASN A 29 2.320 -4.901 -2.723 1.00 0.00 H new ATOM 0 HD21 ASN A 29 4.954 -2.098 -1.147 1.00 0.00 H new ATOM 0 HD22 ASN A 29 3.220 -1.916 -0.866 1.00 0.00 H new ATOM 506 N MET A 30 -0.901 -3.625 -2.668 1.00 0.00 N ATOM 507 CA MET A 30 -2.036 -4.149 -3.415 1.00 0.00 C ATOM 508 C MET A 30 -3.352 -3.692 -2.810 1.00 0.00 C ATOM 509 O MET A 30 -3.456 -3.477 -1.606 1.00 0.00 O ATOM 510 CB MET A 30 -1.998 -5.680 -3.436 1.00 0.00 C ATOM 511 CG MET A 30 -0.590 -6.177 -3.091 1.00 0.00 C ATOM 512 SD MET A 30 -0.622 -7.971 -2.863 1.00 0.00 S ATOM 513 CE MET A 30 -0.482 -7.972 -1.058 1.00 0.00 C ATOM 0 H MET A 30 -1.104 -3.362 -1.704 1.00 0.00 H new ATOM 0 HA MET A 30 -1.965 -3.765 -4.433 1.00 0.00 H new ATOM 0 HB2 MET A 30 -2.718 -6.079 -2.722 1.00 0.00 H new ATOM 0 HB3 MET A 30 -2.290 -6.045 -4.421 1.00 0.00 H new ATOM 0 HG2 MET A 30 0.106 -5.913 -3.888 1.00 0.00 H new ATOM 0 HG3 MET A 30 -0.234 -5.691 -2.183 1.00 0.00 H new ATOM 0 HE1 MET A 30 -0.286 -8.986 -0.709 1.00 0.00 H new ATOM 0 HE2 MET A 30 0.337 -7.320 -0.756 1.00 0.00 H new ATOM 0 HE3 MET A 30 -1.413 -7.611 -0.621 1.00 0.00 H new ATOM 523 N CYS A 31 -4.357 -3.551 -3.662 1.00 0.00 N ATOM 524 CA CYS A 31 -5.669 -3.128 -3.205 1.00 0.00 C ATOM 525 C CYS A 31 -6.292 -4.196 -2.311 1.00 0.00 C ATOM 526 O CYS A 31 -5.754 -5.294 -2.170 1.00 0.00 O ATOM 527 CB CYS A 31 -6.576 -2.862 -4.402 1.00 0.00 C ATOM 528 SG CYS A 31 -5.623 -2.075 -5.728 1.00 0.00 S ATOM 0 H CYS A 31 -4.289 -3.722 -4.665 1.00 0.00 H new ATOM 0 HA CYS A 31 -5.557 -2.210 -2.628 1.00 0.00 H new ATOM 0 HB2 CYS A 31 -7.008 -3.797 -4.758 1.00 0.00 H new ATOM 0 HB3 CYS A 31 -7.405 -2.219 -4.106 1.00 0.00 H new ATOM 533 N LYS A 32 -7.429 -3.865 -1.708 1.00 0.00 N ATOM 534 CA LYS A 32 -8.120 -4.802 -0.826 1.00 0.00 C ATOM 535 C LYS A 32 -8.462 -6.090 -1.569 1.00 0.00 C ATOM 536 O LYS A 32 -8.254 -7.190 -1.056 1.00 0.00 O ATOM 537 CB LYS A 32 -9.406 -4.166 -0.295 1.00 0.00 C ATOM 538 CG LYS A 32 -9.515 -4.405 1.213 1.00 0.00 C ATOM 539 CD LYS A 32 -10.863 -3.884 1.716 1.00 0.00 C ATOM 540 CE LYS A 32 -11.953 -4.922 1.432 1.00 0.00 C ATOM 541 NZ LYS A 32 -13.230 -4.488 2.064 1.00 0.00 N ATOM 0 H LYS A 32 -7.890 -2.961 -1.812 1.00 0.00 H new ATOM 0 HA LYS A 32 -7.458 -5.040 0.006 1.00 0.00 H new ATOM 0 HB2 LYS A 32 -9.408 -3.096 -0.504 1.00 0.00 H new ATOM 0 HB3 LYS A 32 -10.271 -4.592 -0.804 1.00 0.00 H new ATOM 0 HG2 LYS A 32 -9.420 -5.469 1.431 1.00 0.00 H new ATOM 0 HG3 LYS A 32 -8.701 -3.899 1.732 1.00 0.00 H new ATOM 0 HD2 LYS A 32 -10.810 -3.681 2.786 1.00 0.00 H new ATOM 0 HD3 LYS A 32 -11.107 -2.942 1.225 1.00 0.00 H new ATOM 0 HE2 LYS A 32 -12.088 -5.038 0.357 1.00 0.00 H new ATOM 0 HE3 LYS A 32 -11.654 -5.895 1.822 1.00 0.00 H new ATOM 0 HZ1 LYS A 32 -13.970 -5.193 1.871 1.00 0.00 H new ATOM 0 HZ2 LYS A 32 -13.096 -4.399 3.091 1.00 0.00 H new ATOM 0 HZ3 LYS A 32 -13.517 -3.569 1.671 1.00 0.00 H new ATOM 555 N THR A 33 -8.986 -5.943 -2.778 1.00 0.00 N ATOM 556 CA THR A 33 -9.354 -7.097 -3.591 1.00 0.00 C ATOM 557 C THR A 33 -8.112 -7.896 -3.959 1.00 0.00 C ATOM 558 O THR A 33 -7.928 -9.027 -3.509 1.00 0.00 O ATOM 559 CB THR A 33 -10.056 -6.626 -4.865 1.00 0.00 C ATOM 560 OG1 THR A 33 -10.794 -5.444 -4.585 1.00 0.00 O ATOM 561 CG2 THR A 33 -11.006 -7.716 -5.362 1.00 0.00 C ATOM 0 H THR A 33 -9.166 -5.040 -3.217 1.00 0.00 H new ATOM 0 HA THR A 33 -10.029 -7.733 -3.018 1.00 0.00 H new ATOM 0 HB THR A 33 -9.312 -6.419 -5.635 1.00 0.00 H new ATOM 0 HG1 THR A 33 -11.244 -5.138 -5.400 1.00 0.00 H new ATOM 0 HG21 THR A 33 -11.505 -7.377 -6.270 1.00 0.00 H new ATOM 0 HG22 THR A 33 -10.440 -8.623 -5.575 1.00 0.00 H new ATOM 0 HG23 THR A 33 -11.752 -7.926 -4.595 1.00 0.00 H new ATOM 569 N CYS A 34 -7.261 -7.291 -4.776 1.00 0.00 N ATOM 570 CA CYS A 34 -6.028 -7.940 -5.199 1.00 0.00 C ATOM 571 C CYS A 34 -5.243 -8.424 -3.985 1.00 0.00 C ATOM 572 O CYS A 34 -4.497 -9.399 -4.064 1.00 0.00 O ATOM 573 CB CYS A 34 -5.194 -6.961 -6.015 1.00 0.00 C ATOM 574 SG CYS A 34 -6.233 -5.546 -6.445 1.00 0.00 S ATOM 0 H CYS A 34 -7.401 -6.356 -5.158 1.00 0.00 H new ATOM 0 HA CYS A 34 -6.270 -8.805 -5.817 1.00 0.00 H new ATOM 0 HB2 CYS A 34 -4.326 -6.634 -5.443 1.00 0.00 H new ATOM 0 HB3 CYS A 34 -4.818 -7.443 -6.917 1.00 0.00 H new ATOM 579 N PHE A 35 -5.428 -7.742 -2.858 1.00 0.00 N ATOM 580 CA PHE A 35 -4.743 -8.120 -1.627 1.00 0.00 C ATOM 581 C PHE A 35 -5.168 -9.524 -1.234 1.00 0.00 C ATOM 582 O PHE A 35 -4.342 -10.371 -0.894 1.00 0.00 O ATOM 583 CB PHE A 35 -5.095 -7.146 -0.502 1.00 0.00 C ATOM 584 CG PHE A 35 -4.910 -7.831 0.832 1.00 0.00 C ATOM 585 CD1 PHE A 35 -3.836 -8.709 1.024 1.00 0.00 C ATOM 586 CD2 PHE A 35 -5.813 -7.593 1.876 1.00 0.00 C ATOM 587 CE1 PHE A 35 -3.666 -9.349 2.257 1.00 0.00 C ATOM 588 CE2 PHE A 35 -5.642 -8.233 3.109 1.00 0.00 C ATOM 589 CZ PHE A 35 -4.569 -9.110 3.300 1.00 0.00 C ATOM 0 H PHE A 35 -6.041 -6.932 -2.772 1.00 0.00 H new ATOM 0 HA PHE A 35 -3.666 -8.089 -1.792 1.00 0.00 H new ATOM 0 HB2 PHE A 35 -4.460 -6.262 -0.560 1.00 0.00 H new ATOM 0 HB3 PHE A 35 -6.125 -6.807 -0.609 1.00 0.00 H new ATOM 0 HD1 PHE A 35 -3.138 -8.892 0.220 1.00 0.00 H new ATOM 0 HD2 PHE A 35 -6.641 -6.916 1.730 1.00 0.00 H new ATOM 0 HE1 PHE A 35 -2.838 -10.027 2.404 1.00 0.00 H new ATOM 0 HE2 PHE A 35 -6.339 -8.050 3.913 1.00 0.00 H new ATOM 0 HZ PHE A 35 -4.437 -9.603 4.252 1.00 0.00 H new ATOM 599 N ASN A 36 -6.469 -9.763 -1.312 1.00 0.00 N ATOM 600 CA ASN A 36 -7.018 -11.066 -0.994 1.00 0.00 C ATOM 601 C ASN A 36 -6.485 -12.076 -1.992 1.00 0.00 C ATOM 602 O ASN A 36 -6.140 -13.205 -1.643 1.00 0.00 O ATOM 603 CB ASN A 36 -8.542 -11.016 -1.084 1.00 0.00 C ATOM 604 CG ASN A 36 -9.110 -10.275 0.121 1.00 0.00 C ATOM 605 OD1 ASN A 36 -9.902 -10.834 0.878 1.00 0.00 O ATOM 606 ND2 ASN A 36 -8.747 -9.040 0.343 1.00 0.00 N ATOM 0 H ASN A 36 -7.162 -9.069 -1.593 1.00 0.00 H new ATOM 0 HA ASN A 36 -6.729 -11.353 0.017 1.00 0.00 H new ATOM 0 HB2 ASN A 36 -8.844 -10.516 -2.004 1.00 0.00 H new ATOM 0 HB3 ASN A 36 -8.946 -12.028 -1.123 1.00 0.00 H new ATOM 0 HD21 ASN A 36 -9.121 -8.535 1.147 1.00 0.00 H new ATOM 0 HD22 ASN A 36 -8.090 -8.580 -0.287 1.00 0.00 H new ATOM 613 N ASN A 37 -6.408 -11.634 -3.238 1.00 0.00 N ATOM 614 CA ASN A 37 -5.898 -12.471 -4.314 1.00 0.00 C ATOM 615 C ASN A 37 -4.426 -12.750 -4.082 1.00 0.00 C ATOM 616 O ASN A 37 -3.907 -13.802 -4.456 1.00 0.00 O ATOM 617 CB ASN A 37 -6.081 -11.761 -5.654 1.00 0.00 C ATOM 618 CG ASN A 37 -6.426 -12.776 -6.739 1.00 0.00 C ATOM 619 OD1 ASN A 37 -5.535 -13.302 -7.404 1.00 0.00 O ATOM 620 ND2 ASN A 37 -7.675 -13.083 -6.957 1.00 0.00 N ATOM 0 H ASN A 37 -6.693 -10.699 -3.530 1.00 0.00 H new ATOM 0 HA ASN A 37 -6.448 -13.412 -4.331 1.00 0.00 H new ATOM 0 HB2 ASN A 37 -6.874 -11.017 -5.575 1.00 0.00 H new ATOM 0 HB3 ASN A 37 -5.168 -11.228 -5.920 1.00 0.00 H new ATOM 0 HD21 ASN A 37 -7.915 -13.761 -7.680 1.00 0.00 H new ATOM 0 HD22 ASN A 37 -8.412 -12.645 -6.404 1.00 0.00 H new ATOM 627 N SER A 38 -3.768 -11.793 -3.447 1.00 0.00 N ATOM 628 CA SER A 38 -2.355 -11.925 -3.139 1.00 0.00 C ATOM 629 C SER A 38 -2.168 -13.063 -2.159 1.00 0.00 C ATOM 630 O SER A 38 -1.144 -13.746 -2.163 1.00 0.00 O ATOM 631 CB SER A 38 -1.824 -10.627 -2.537 1.00 0.00 C ATOM 632 OG SER A 38 -2.012 -10.652 -1.127 1.00 0.00 O ATOM 0 H SER A 38 -4.190 -10.918 -3.136 1.00 0.00 H new ATOM 0 HA SER A 38 -1.802 -12.134 -4.055 1.00 0.00 H new ATOM 0 HB2 SER A 38 -0.766 -10.509 -2.772 1.00 0.00 H new ATOM 0 HB3 SER A 38 -2.344 -9.772 -2.970 1.00 0.00 H new ATOM 0 HG SER A 38 -2.951 -10.845 -0.926 1.00 0.00 H new ATOM 638 N ILE A 39 -3.185 -13.287 -1.339 1.00 0.00 N ATOM 639 CA ILE A 39 -3.130 -14.376 -0.384 1.00 0.00 C ATOM 640 C ILE A 39 -3.127 -15.671 -1.164 1.00 0.00 C ATOM 641 O ILE A 39 -2.550 -16.676 -0.752 1.00 0.00 O ATOM 642 CB ILE A 39 -4.331 -14.325 0.560 1.00 0.00 C ATOM 643 CG1 ILE A 39 -4.536 -12.882 1.023 1.00 0.00 C ATOM 644 CG2 ILE A 39 -4.073 -15.220 1.774 1.00 0.00 C ATOM 645 CD1 ILE A 39 -5.703 -12.817 2.009 1.00 0.00 C ATOM 0 H ILE A 39 -4.044 -12.737 -1.317 1.00 0.00 H new ATOM 0 HA ILE A 39 -2.230 -14.297 0.226 1.00 0.00 H new ATOM 0 HB ILE A 39 -5.222 -14.678 0.040 1.00 0.00 H new ATOM 0 HG12 ILE A 39 -3.627 -12.509 1.495 1.00 0.00 H new ATOM 0 HG13 ILE A 39 -4.736 -12.240 0.165 1.00 0.00 H new ATOM 0 HG21 ILE A 39 -4.932 -15.181 2.444 1.00 0.00 H new ATOM 0 HG22 ILE A 39 -3.918 -16.247 1.443 1.00 0.00 H new ATOM 0 HG23 ILE A 39 -3.185 -14.871 2.301 1.00 0.00 H new ATOM 0 HD11 ILE A 39 -5.846 -11.787 2.336 1.00 0.00 H new ATOM 0 HD12 ILE A 39 -6.611 -13.172 1.522 1.00 0.00 H new ATOM 0 HD13 ILE A 39 -5.485 -13.445 2.873 1.00 0.00 H new ATOM 657 N LYS A 40 -3.766 -15.610 -2.322 1.00 0.00 N ATOM 658 CA LYS A 40 -3.832 -16.750 -3.215 1.00 0.00 C ATOM 659 C LYS A 40 -2.519 -16.877 -3.967 1.00 0.00 C ATOM 660 O LYS A 40 -1.725 -17.788 -3.731 1.00 0.00 O ATOM 661 CB LYS A 40 -4.972 -16.551 -4.215 1.00 0.00 C ATOM 662 CG LYS A 40 -6.117 -17.510 -3.889 1.00 0.00 C ATOM 663 CD LYS A 40 -7.326 -17.183 -4.770 1.00 0.00 C ATOM 664 CE LYS A 40 -7.578 -18.336 -5.743 1.00 0.00 C ATOM 665 NZ LYS A 40 -8.205 -19.474 -5.013 1.00 0.00 N ATOM 0 H LYS A 40 -4.247 -14.778 -2.664 1.00 0.00 H new ATOM 0 HA LYS A 40 -4.011 -17.656 -2.635 1.00 0.00 H new ATOM 0 HB2 LYS A 40 -5.326 -15.521 -4.177 1.00 0.00 H new ATOM 0 HB3 LYS A 40 -4.614 -16.728 -5.229 1.00 0.00 H new ATOM 0 HG2 LYS A 40 -5.801 -18.540 -4.055 1.00 0.00 H new ATOM 0 HG3 LYS A 40 -6.387 -17.425 -2.836 1.00 0.00 H new ATOM 0 HD2 LYS A 40 -8.207 -17.018 -4.150 1.00 0.00 H new ATOM 0 HD3 LYS A 40 -7.148 -16.260 -5.322 1.00 0.00 H new ATOM 0 HE2 LYS A 40 -8.229 -18.007 -6.553 1.00 0.00 H new ATOM 0 HE3 LYS A 40 -6.640 -18.654 -6.197 1.00 0.00 H new ATOM 0 HZ1 LYS A 40 -8.377 -20.258 -5.674 1.00 0.00 H new ATOM 0 HZ2 LYS A 40 -7.568 -19.793 -4.255 1.00 0.00 H new ATOM 0 HZ3 LYS A 40 -9.108 -19.166 -4.600 1.00 0.00 H new ATOM 679 N SER A 41 -2.313 -15.932 -4.874 1.00 0.00 N ATOM 680 CA SER A 41 -1.108 -15.888 -5.683 1.00 0.00 C ATOM 681 C SER A 41 0.104 -15.542 -4.831 1.00 0.00 C ATOM 682 O SER A 41 1.118 -16.242 -4.852 1.00 0.00 O ATOM 683 CB SER A 41 -1.268 -14.844 -6.789 1.00 0.00 C ATOM 684 OG SER A 41 -2.125 -15.359 -7.800 1.00 0.00 O ATOM 0 H SER A 41 -2.974 -15.179 -5.067 1.00 0.00 H new ATOM 0 HA SER A 41 -0.954 -16.873 -6.124 1.00 0.00 H new ATOM 0 HB2 SER A 41 -1.683 -13.923 -6.379 1.00 0.00 H new ATOM 0 HB3 SER A 41 -0.295 -14.594 -7.213 1.00 0.00 H new ATOM 0 HG SER A 41 -2.231 -14.692 -8.510 1.00 0.00 H new ATOM 690 N GLY A 42 -0.010 -14.445 -4.089 1.00 0.00 N ATOM 691 CA GLY A 42 1.082 -13.989 -3.238 1.00 0.00 C ATOM 692 C GLY A 42 1.357 -14.982 -2.120 1.00 0.00 C ATOM 693 O GLY A 42 2.504 -15.358 -1.882 1.00 0.00 O ATOM 0 H GLY A 42 -0.844 -13.858 -4.060 1.00 0.00 H new ATOM 0 HA2 GLY A 42 1.982 -13.854 -3.838 1.00 0.00 H new ATOM 0 HA3 GLY A 42 0.834 -13.017 -2.812 1.00 0.00 H new ATOM 697 N ASP A 43 0.298 -15.399 -1.441 1.00 0.00 N ATOM 698 CA ASP A 43 0.432 -16.350 -0.342 1.00 0.00 C ATOM 699 C ASP A 43 1.363 -15.798 0.731 1.00 0.00 C ATOM 700 O ASP A 43 0.965 -15.613 1.881 1.00 0.00 O ATOM 701 CB ASP A 43 0.984 -17.672 -0.870 1.00 0.00 C ATOM 702 CG ASP A 43 1.235 -18.633 0.288 1.00 0.00 C ATOM 703 OD1 ASP A 43 2.166 -18.392 1.039 1.00 0.00 O ATOM 704 OD2 ASP A 43 0.493 -19.594 0.406 1.00 0.00 O ATOM 0 H ASP A 43 -0.658 -15.098 -1.628 1.00 0.00 H new ATOM 0 HA ASP A 43 -0.551 -16.515 0.099 1.00 0.00 H new ATOM 0 HB2 ASP A 43 0.279 -18.114 -1.574 1.00 0.00 H new ATOM 0 HB3 ASP A 43 1.911 -17.496 -1.415 1.00 0.00 H new ATOM 709 N ASP A 44 2.600 -15.534 0.340 1.00 0.00 N ATOM 710 CA ASP A 44 3.593 -14.998 1.262 1.00 0.00 C ATOM 711 C ASP A 44 4.711 -14.304 0.491 1.00 0.00 C ATOM 712 O ASP A 44 5.883 -14.651 0.629 1.00 0.00 O ATOM 713 CB ASP A 44 4.180 -16.125 2.113 1.00 0.00 C ATOM 714 CG ASP A 44 4.658 -15.571 3.451 1.00 0.00 C ATOM 715 OD1 ASP A 44 5.394 -14.598 3.437 1.00 0.00 O ATOM 716 OD2 ASP A 44 4.281 -16.127 4.468 1.00 0.00 O ATOM 0 H ASP A 44 2.942 -15.682 -0.610 1.00 0.00 H new ATOM 0 HA ASP A 44 3.106 -14.272 1.913 1.00 0.00 H new ATOM 0 HB2 ASP A 44 3.429 -16.898 2.277 1.00 0.00 H new ATOM 0 HB3 ASP A 44 5.011 -16.595 1.587 1.00 0.00 H new ATOM 721 N THR A 45 4.336 -13.323 -0.325 1.00 0.00 N ATOM 722 CA THR A 45 5.313 -12.586 -1.119 1.00 0.00 C ATOM 723 C THR A 45 4.642 -11.434 -1.861 1.00 0.00 C ATOM 724 O THR A 45 4.383 -11.522 -3.061 1.00 0.00 O ATOM 725 CB THR A 45 5.981 -13.524 -2.125 1.00 0.00 C ATOM 726 OG1 THR A 45 7.097 -12.870 -2.713 1.00 0.00 O ATOM 727 CG2 THR A 45 4.979 -13.905 -3.215 1.00 0.00 C ATOM 0 H THR A 45 3.370 -13.022 -0.453 1.00 0.00 H new ATOM 0 HA THR A 45 6.067 -12.178 -0.446 1.00 0.00 H new ATOM 0 HB THR A 45 6.317 -14.425 -1.612 1.00 0.00 H new ATOM 0 HG1 THR A 45 7.527 -13.471 -3.357 1.00 0.00 H new ATOM 0 HG21 THR A 45 5.457 -14.574 -3.931 1.00 0.00 H new ATOM 0 HG22 THR A 45 4.124 -14.408 -2.763 1.00 0.00 H new ATOM 0 HG23 THR A 45 4.641 -13.005 -3.729 1.00 0.00 H new ATOM 735 N TYR A 46 4.363 -10.356 -1.137 1.00 0.00 N ATOM 736 CA TYR A 46 3.723 -9.189 -1.731 1.00 0.00 C ATOM 737 C TYR A 46 3.274 -8.224 -0.639 1.00 0.00 C ATOM 738 O TYR A 46 2.993 -7.055 -0.903 1.00 0.00 O ATOM 739 CB TYR A 46 2.515 -9.621 -2.567 1.00 0.00 C ATOM 740 CG TYR A 46 2.854 -9.524 -4.036 1.00 0.00 C ATOM 741 CD1 TYR A 46 3.292 -8.309 -4.576 1.00 0.00 C ATOM 742 CD2 TYR A 46 2.729 -10.649 -4.858 1.00 0.00 C ATOM 743 CE1 TYR A 46 3.606 -8.220 -5.938 1.00 0.00 C ATOM 744 CE2 TYR A 46 3.042 -10.560 -6.221 1.00 0.00 C ATOM 745 CZ TYR A 46 3.481 -9.346 -6.761 1.00 0.00 C ATOM 746 OH TYR A 46 3.790 -9.258 -8.104 1.00 0.00 O ATOM 0 H TYR A 46 4.569 -10.266 -0.142 1.00 0.00 H new ATOM 0 HA TYR A 46 4.443 -8.686 -2.377 1.00 0.00 H new ATOM 0 HB2 TYR A 46 2.233 -10.643 -2.315 1.00 0.00 H new ATOM 0 HB3 TYR A 46 1.657 -8.988 -2.339 1.00 0.00 H new ATOM 0 HD1 TYR A 46 3.388 -7.440 -3.942 1.00 0.00 H new ATOM 0 HD2 TYR A 46 2.391 -11.587 -4.442 1.00 0.00 H new ATOM 0 HE1 TYR A 46 3.945 -7.283 -6.354 1.00 0.00 H new ATOM 0 HE2 TYR A 46 2.944 -11.429 -6.855 1.00 0.00 H new ATOM 0 HH TYR A 46 3.650 -10.129 -8.530 1.00 0.00 H new ATOM 756 N HIS A 47 3.216 -8.725 0.590 1.00 0.00 N ATOM 757 CA HIS A 47 2.807 -7.906 1.724 1.00 0.00 C ATOM 758 C HIS A 47 3.784 -6.754 1.930 1.00 0.00 C ATOM 759 O HIS A 47 4.893 -6.949 2.427 1.00 0.00 O ATOM 760 CB HIS A 47 2.748 -8.763 2.989 1.00 0.00 C ATOM 761 CG HIS A 47 3.735 -9.892 2.871 1.00 0.00 C ATOM 762 ND1 HIS A 47 4.884 -9.792 2.103 1.00 0.00 N ATOM 763 CD2 HIS A 47 3.754 -11.152 3.412 1.00 0.00 C ATOM 764 CE1 HIS A 47 5.540 -10.962 2.200 1.00 0.00 C ATOM 765 NE2 HIS A 47 4.894 -11.828 2.986 1.00 0.00 N ATOM 0 H HIS A 47 3.446 -9.690 0.825 1.00 0.00 H new ATOM 0 HA HIS A 47 1.819 -7.495 1.518 1.00 0.00 H new ATOM 0 HB2 HIS A 47 2.976 -8.155 3.865 1.00 0.00 H new ATOM 0 HB3 HIS A 47 1.742 -9.158 3.128 1.00 0.00 H new ATOM 0 HD2 HIS A 47 2.999 -11.558 4.069 1.00 0.00 H new ATOM 0 HE1 HIS A 47 6.475 -11.175 1.703 1.00 0.00 H new ATOM 0 HE2 HIS A 47 5.175 -12.779 3.223 1.00 0.00 H new ATOM 774 N GLY A 48 3.364 -5.555 1.547 1.00 0.00 N ATOM 775 CA GLY A 48 4.208 -4.376 1.697 1.00 0.00 C ATOM 776 C GLY A 48 3.431 -3.106 1.375 1.00 0.00 C ATOM 777 O GLY A 48 2.376 -3.156 0.740 1.00 0.00 O ATOM 0 H GLY A 48 2.450 -5.373 1.133 1.00 0.00 H new ATOM 0 HA2 GLY A 48 4.590 -4.325 2.717 1.00 0.00 H new ATOM 0 HA3 GLY A 48 5.072 -4.456 1.037 1.00 0.00 H new ATOM 781 N HIS A 49 3.955 -1.969 1.817 1.00 0.00 N ATOM 782 CA HIS A 49 3.298 -0.692 1.569 1.00 0.00 C ATOM 783 C HIS A 49 4.321 0.384 1.230 1.00 0.00 C ATOM 784 O HIS A 49 5.507 0.250 1.529 1.00 0.00 O ATOM 785 CB HIS A 49 2.497 -0.269 2.802 1.00 0.00 C ATOM 786 CG HIS A 49 3.276 -0.609 4.043 1.00 0.00 C ATOM 787 ND1 HIS A 49 3.802 -1.873 4.260 1.00 0.00 N ATOM 788 CD2 HIS A 49 3.630 0.138 5.140 1.00 0.00 C ATOM 789 CE1 HIS A 49 4.437 -1.849 5.446 1.00 0.00 C ATOM 790 NE2 HIS A 49 4.362 -0.648 6.025 1.00 0.00 N ATOM 0 H HIS A 49 4.826 -1.905 2.345 1.00 0.00 H new ATOM 0 HA HIS A 49 2.624 -0.812 0.721 1.00 0.00 H new ATOM 0 HB2 HIS A 49 2.294 0.801 2.768 1.00 0.00 H new ATOM 0 HB3 HIS A 49 1.532 -0.776 2.814 1.00 0.00 H new ATOM 0 HD2 HIS A 49 3.379 1.177 5.293 1.00 0.00 H new ATOM 0 HE1 HIS A 49 4.946 -2.698 5.878 1.00 0.00 H new ATOM 0 HE2 HIS A 49 4.756 -0.367 6.923 1.00 0.00 H new ATOM 799 N VAL A 50 3.845 1.452 0.600 1.00 0.00 N ATOM 800 CA VAL A 50 4.713 2.557 0.211 1.00 0.00 C ATOM 801 C VAL A 50 4.286 3.836 0.931 1.00 0.00 C ATOM 802 O VAL A 50 3.094 4.079 1.119 1.00 0.00 O ATOM 803 CB VAL A 50 4.636 2.743 -1.315 1.00 0.00 C ATOM 804 CG1 VAL A 50 4.304 4.196 -1.663 1.00 0.00 C ATOM 805 CG2 VAL A 50 5.980 2.370 -1.944 1.00 0.00 C ATOM 0 H VAL A 50 2.864 1.576 0.348 1.00 0.00 H new ATOM 0 HA VAL A 50 5.742 2.335 0.493 1.00 0.00 H new ATOM 0 HB VAL A 50 3.850 2.097 -1.705 1.00 0.00 H new ATOM 0 HG11 VAL A 50 4.254 4.308 -2.746 1.00 0.00 H new ATOM 0 HG12 VAL A 50 3.342 4.464 -1.225 1.00 0.00 H new ATOM 0 HG13 VAL A 50 5.079 4.851 -1.266 1.00 0.00 H new ATOM 0 HG21 VAL A 50 5.925 2.502 -3.025 1.00 0.00 H new ATOM 0 HG22 VAL A 50 6.762 3.013 -1.539 1.00 0.00 H new ATOM 0 HG23 VAL A 50 6.212 1.329 -1.717 1.00 0.00 H new ATOM 815 N ASP A 51 5.258 4.655 1.325 1.00 0.00 N ATOM 816 CA ASP A 51 4.941 5.902 2.010 1.00 0.00 C ATOM 817 C ASP A 51 5.608 7.086 1.325 1.00 0.00 C ATOM 818 O ASP A 51 6.785 7.034 0.968 1.00 0.00 O ATOM 819 CB ASP A 51 5.383 5.849 3.476 1.00 0.00 C ATOM 820 CG ASP A 51 4.848 4.584 4.139 1.00 0.00 C ATOM 821 OD1 ASP A 51 4.531 3.650 3.421 1.00 0.00 O ATOM 822 OD2 ASP A 51 4.763 4.569 5.356 1.00 0.00 O ATOM 0 H ASP A 51 6.253 4.482 1.185 1.00 0.00 H new ATOM 0 HA ASP A 51 3.859 6.030 1.968 1.00 0.00 H new ATOM 0 HB2 ASP A 51 6.471 5.869 3.537 1.00 0.00 H new ATOM 0 HB3 ASP A 51 5.018 6.729 4.006 1.00 0.00 H new ATOM 827 N TRP A 52 4.841 8.152 1.153 1.00 0.00 N ATOM 828 CA TRP A 52 5.349 9.360 0.518 1.00 0.00 C ATOM 829 C TRP A 52 5.481 10.471 1.552 1.00 0.00 C ATOM 830 O TRP A 52 4.586 10.669 2.373 1.00 0.00 O ATOM 831 CB TRP A 52 4.390 9.803 -0.590 1.00 0.00 C ATOM 832 CG TRP A 52 5.153 10.073 -1.847 1.00 0.00 C ATOM 833 CD1 TRP A 52 6.392 10.615 -1.904 1.00 0.00 C ATOM 834 CD2 TRP A 52 4.752 9.827 -3.226 1.00 0.00 C ATOM 835 NE1 TRP A 52 6.775 10.716 -3.229 1.00 0.00 N ATOM 836 CE2 TRP A 52 5.799 10.243 -4.082 1.00 0.00 C ATOM 837 CE3 TRP A 52 3.591 9.286 -3.813 1.00 0.00 C ATOM 838 CZ2 TRP A 52 5.700 10.128 -5.469 1.00 0.00 C ATOM 839 CZ3 TRP A 52 3.488 9.170 -5.208 1.00 0.00 C ATOM 840 CH2 TRP A 52 4.540 9.591 -6.035 1.00 0.00 C ATOM 0 H TRP A 52 3.865 8.206 1.444 1.00 0.00 H new ATOM 0 HA TRP A 52 6.328 9.152 0.087 1.00 0.00 H new ATOM 0 HB2 TRP A 52 3.643 9.029 -0.767 1.00 0.00 H new ATOM 0 HB3 TRP A 52 3.853 10.700 -0.281 1.00 0.00 H new ATOM 0 HD1 TRP A 52 6.985 10.919 -1.054 1.00 0.00 H new ATOM 0 HE1 TRP A 52 7.670 11.094 -3.538 1.00 0.00 H new ATOM 0 HE3 TRP A 52 2.775 8.959 -3.186 1.00 0.00 H new ATOM 0 HZ2 TRP A 52 6.514 10.452 -6.101 1.00 0.00 H new ATOM 0 HZ3 TRP A 52 2.593 8.754 -5.647 1.00 0.00 H new ATOM 0 HH2 TRP A 52 4.454 9.500 -7.108 1.00 0.00 H new ATOM 851 N LEU A 53 6.398 11.205 1.561 1.00 0.00 N ATOM 852 CA LEU A 53 6.614 12.289 2.509 1.00 0.00 C ATOM 853 C LEU A 53 6.517 13.637 1.806 1.00 0.00 C ATOM 854 O LEU A 53 6.762 13.742 0.604 1.00 0.00 O ATOM 855 CB LEU A 53 7.985 12.149 3.175 1.00 0.00 C ATOM 856 CG LEU A 53 7.968 10.956 4.134 1.00 0.00 C ATOM 857 CD1 LEU A 53 8.053 9.653 3.336 1.00 0.00 C ATOM 858 CD2 LEU A 53 9.163 11.050 5.085 1.00 0.00 C ATOM 0 H LEU A 53 7.148 11.136 0.873 1.00 0.00 H new ATOM 0 HA LEU A 53 5.841 12.234 3.275 1.00 0.00 H new ATOM 0 HB2 LEU A 53 8.756 12.009 2.418 1.00 0.00 H new ATOM 0 HB3 LEU A 53 8.232 13.062 3.717 1.00 0.00 H new ATOM 0 HG LEU A 53 7.042 10.968 4.709 1.00 0.00 H new ATOM 0 HD11 LEU A 53 8.041 8.805 4.021 1.00 0.00 H new ATOM 0 HD12 LEU A 53 7.201 9.585 2.659 1.00 0.00 H new ATOM 0 HD13 LEU A 53 8.977 9.640 2.759 1.00 0.00 H new ATOM 0 HD21 LEU A 53 9.152 10.201 5.768 1.00 0.00 H new ATOM 0 HD22 LEU A 53 10.088 11.040 4.509 1.00 0.00 H new ATOM 0 HD23 LEU A 53 9.101 11.976 5.656 1.00 0.00 H new ATOM 870 N MET A 54 6.341 14.648 2.514 1.00 0.00 N ATOM 871 CA MET A 54 6.203 15.988 1.962 1.00 0.00 C ATOM 872 C MET A 54 7.358 16.304 1.020 1.00 0.00 C ATOM 873 O MET A 54 7.329 17.307 0.306 1.00 0.00 O ATOM 874 CB MET A 54 6.163 17.010 3.099 1.00 0.00 C ATOM 875 CG MET A 54 7.584 17.278 3.593 1.00 0.00 C ATOM 876 SD MET A 54 7.567 17.496 5.391 1.00 0.00 S ATOM 877 CE MET A 54 8.819 18.800 5.473 1.00 0.00 C ATOM 0 H MET A 54 6.280 14.614 3.532 1.00 0.00 H new ATOM 0 HA MET A 54 5.273 16.038 1.395 1.00 0.00 H new ATOM 0 HB2 MET A 54 5.706 17.937 2.753 1.00 0.00 H new ATOM 0 HB3 MET A 54 5.547 16.636 3.917 1.00 0.00 H new ATOM 0 HG2 MET A 54 8.237 16.448 3.323 1.00 0.00 H new ATOM 0 HG3 MET A 54 7.986 18.170 3.112 1.00 0.00 H new ATOM 0 HE1 MET A 54 8.971 19.093 6.512 1.00 0.00 H new ATOM 0 HE2 MET A 54 9.757 18.430 5.059 1.00 0.00 H new ATOM 0 HE3 MET A 54 8.484 19.663 4.898 1.00 0.00 H new ATOM 887 N TYR A 55 8.373 15.443 1.019 1.00 0.00 N ATOM 888 CA TYR A 55 9.527 15.651 0.152 1.00 0.00 C ATOM 889 C TYR A 55 10.437 14.421 0.141 1.00 0.00 C ATOM 890 O TYR A 55 11.572 14.485 -0.332 1.00 0.00 O ATOM 891 CB TYR A 55 10.309 16.887 0.617 1.00 0.00 C ATOM 892 CG TYR A 55 11.513 16.469 1.431 1.00 0.00 C ATOM 893 CD1 TYR A 55 11.345 15.979 2.732 1.00 0.00 C ATOM 894 CD2 TYR A 55 12.798 16.571 0.882 1.00 0.00 C ATOM 895 CE1 TYR A 55 12.460 15.592 3.484 1.00 0.00 C ATOM 896 CE2 TYR A 55 13.913 16.185 1.634 1.00 0.00 C ATOM 897 CZ TYR A 55 13.745 15.694 2.936 1.00 0.00 C ATOM 898 OH TYR A 55 14.845 15.313 3.676 1.00 0.00 O ATOM 0 H TYR A 55 8.420 14.606 1.601 1.00 0.00 H new ATOM 0 HA TYR A 55 9.170 15.812 -0.865 1.00 0.00 H new ATOM 0 HB2 TYR A 55 10.630 17.469 -0.247 1.00 0.00 H new ATOM 0 HB3 TYR A 55 9.663 17.531 1.214 1.00 0.00 H new ATOM 0 HD1 TYR A 55 10.355 15.900 3.155 1.00 0.00 H new ATOM 0 HD2 TYR A 55 12.928 16.948 -0.122 1.00 0.00 H new ATOM 0 HE1 TYR A 55 12.330 15.214 4.487 1.00 0.00 H new ATOM 0 HE2 TYR A 55 14.903 16.265 1.211 1.00 0.00 H new ATOM 0 HH TYR A 55 15.658 15.447 3.146 1.00 0.00 H new ATOM 908 N THR A 56 10.134 13.290 0.623 1.00 0.00 N ATOM 909 CA THR A 56 10.919 12.059 0.656 1.00 0.00 C ATOM 910 C THR A 56 10.048 10.845 0.338 1.00 0.00 C ATOM 911 O THR A 56 8.823 10.897 0.447 1.00 0.00 O ATOM 912 CB THR A 56 11.562 11.883 2.037 1.00 0.00 C ATOM 913 OG1 THR A 56 11.094 12.903 2.909 1.00 0.00 O ATOM 914 CG2 THR A 56 13.085 11.973 1.917 1.00 0.00 C ATOM 0 H THR A 56 9.226 13.151 1.066 1.00 0.00 H new ATOM 0 HA THR A 56 11.698 12.134 -0.102 1.00 0.00 H new ATOM 0 HB THR A 56 11.292 10.906 2.438 1.00 0.00 H new ATOM 0 HG1 THR A 56 11.634 13.712 2.786 1.00 0.00 H new ATOM 0 HG21 THR A 56 13.536 11.847 2.901 1.00 0.00 H new ATOM 0 HG22 THR A 56 13.444 11.189 1.251 1.00 0.00 H new ATOM 0 HG23 THR A 56 13.361 12.947 1.513 1.00 0.00 H new ATOM 922 N ASP A 57 10.501 9.762 0.004 1.00 0.00 N ATOM 923 CA ASP A 57 9.784 8.530 -0.314 1.00 0.00 C ATOM 924 C ASP A 57 10.427 7.346 0.402 1.00 0.00 C ATOM 925 O ASP A 57 11.640 7.150 0.327 1.00 0.00 O ATOM 926 CB ASP A 57 9.801 8.285 -1.824 1.00 0.00 C ATOM 927 CG ASP A 57 10.027 9.600 -2.565 1.00 0.00 C ATOM 928 OD1 ASP A 57 11.001 10.268 -2.262 1.00 0.00 O ATOM 929 OD2 ASP A 57 9.222 9.918 -3.426 1.00 0.00 O ATOM 0 H ASP A 57 11.509 9.632 -0.084 1.00 0.00 H new ATOM 0 HA ASP A 57 8.752 8.633 0.021 1.00 0.00 H new ATOM 0 HB2 ASP A 57 10.589 7.576 -2.077 1.00 0.00 H new ATOM 0 HB3 ASP A 57 8.858 7.838 -2.139 1.00 0.00 H new ATOM 934 N ALA A 58 9.612 6.562 1.101 1.00 0.00 N ATOM 935 CA ALA A 58 10.122 5.405 1.829 1.00 0.00 C ATOM 936 C ALA A 58 9.328 4.151 1.476 1.00 0.00 C ATOM 937 O ALA A 58 8.203 4.235 0.984 1.00 0.00 O ATOM 938 CB ALA A 58 10.035 5.656 3.336 1.00 0.00 C ATOM 0 H ALA A 58 8.605 6.704 1.179 1.00 0.00 H new ATOM 0 HA ALA A 58 11.163 5.253 1.543 1.00 0.00 H new ATOM 0 HB1 ALA A 58 10.418 4.788 3.872 1.00 0.00 H new ATOM 0 HB2 ALA A 58 10.629 6.533 3.594 1.00 0.00 H new ATOM 0 HB3 ALA A 58 8.996 5.827 3.617 1.00 0.00 H new ATOM 944 N LYS A 59 9.920 2.990 1.737 1.00 0.00 N ATOM 945 CA LYS A 59 9.260 1.722 1.452 1.00 0.00 C ATOM 946 C LYS A 59 9.385 0.781 2.640 1.00 0.00 C ATOM 947 O LYS A 59 10.409 0.759 3.324 1.00 0.00 O ATOM 948 CB LYS A 59 9.888 1.057 0.226 1.00 0.00 C ATOM 949 CG LYS A 59 9.110 1.443 -1.034 1.00 0.00 C ATOM 950 CD LYS A 59 10.090 1.684 -2.183 1.00 0.00 C ATOM 951 CE LYS A 59 10.597 3.125 -2.123 1.00 0.00 C ATOM 952 NZ LYS A 59 12.021 3.170 -2.559 1.00 0.00 N ATOM 0 H LYS A 59 10.851 2.901 2.144 1.00 0.00 H new ATOM 0 HA LYS A 59 8.207 1.926 1.257 1.00 0.00 H new ATOM 0 HB2 LYS A 59 10.929 1.364 0.129 1.00 0.00 H new ATOM 0 HB3 LYS A 59 9.885 -0.026 0.348 1.00 0.00 H new ATOM 0 HG2 LYS A 59 8.410 0.651 -1.299 1.00 0.00 H new ATOM 0 HG3 LYS A 59 8.521 2.341 -0.850 1.00 0.00 H new ATOM 0 HD2 LYS A 59 10.927 0.989 -2.114 1.00 0.00 H new ATOM 0 HD3 LYS A 59 9.600 1.499 -3.139 1.00 0.00 H new ATOM 0 HE2 LYS A 59 9.989 3.763 -2.765 1.00 0.00 H new ATOM 0 HE3 LYS A 59 10.504 3.512 -1.108 1.00 0.00 H new ATOM 0 HZ1 LYS A 59 12.366 4.150 -2.518 1.00 0.00 H new ATOM 0 HZ2 LYS A 59 12.596 2.574 -1.929 1.00 0.00 H new ATOM 0 HZ3 LYS A 59 12.097 2.817 -3.534 1.00 0.00 H new ATOM 966 N GLU A 60 8.341 -0.001 2.876 1.00 0.00 N ATOM 967 CA GLU A 60 8.351 -0.947 3.982 1.00 0.00 C ATOM 968 C GLU A 60 7.690 -2.258 3.568 1.00 0.00 C ATOM 969 O GLU A 60 6.530 -2.512 3.893 1.00 0.00 O ATOM 970 CB GLU A 60 7.618 -0.350 5.186 1.00 0.00 C ATOM 971 CG GLU A 60 6.625 0.710 4.707 1.00 0.00 C ATOM 972 CD GLU A 60 7.374 1.954 4.237 1.00 0.00 C ATOM 973 OE1 GLU A 60 8.391 2.269 4.832 1.00 0.00 O ATOM 974 OE2 GLU A 60 6.919 2.573 3.289 1.00 0.00 O ATOM 0 H GLU A 60 7.484 0.000 2.322 1.00 0.00 H new ATOM 0 HA GLU A 60 9.386 -1.150 4.258 1.00 0.00 H new ATOM 0 HB2 GLU A 60 7.093 -1.135 5.731 1.00 0.00 H new ATOM 0 HB3 GLU A 60 8.334 0.094 5.877 1.00 0.00 H new ATOM 0 HG2 GLU A 60 6.019 0.311 3.893 1.00 0.00 H new ATOM 0 HG3 GLU A 60 5.941 0.971 5.515 1.00 0.00 H new ATOM 981 N PHE A 61 8.442 -3.087 2.849 1.00 0.00 N ATOM 982 CA PHE A 61 7.926 -4.375 2.396 1.00 0.00 C ATOM 983 C PHE A 61 8.414 -5.495 3.310 1.00 0.00 C ATOM 984 O PHE A 61 9.388 -5.327 4.046 1.00 0.00 O ATOM 985 CB PHE A 61 8.380 -4.647 0.960 1.00 0.00 C ATOM 986 CG PHE A 61 9.854 -4.346 0.828 1.00 0.00 C ATOM 987 CD1 PHE A 61 10.283 -3.034 0.600 1.00 0.00 C ATOM 988 CD2 PHE A 61 10.792 -5.381 0.932 1.00 0.00 C ATOM 989 CE1 PHE A 61 11.650 -2.756 0.478 1.00 0.00 C ATOM 990 CE2 PHE A 61 12.159 -5.103 0.810 1.00 0.00 C ATOM 991 CZ PHE A 61 12.588 -3.791 0.582 1.00 0.00 C ATOM 0 H PHE A 61 9.403 -2.892 2.569 1.00 0.00 H new ATOM 0 HA PHE A 61 6.837 -4.342 2.428 1.00 0.00 H new ATOM 0 HB2 PHE A 61 8.186 -5.687 0.698 1.00 0.00 H new ATOM 0 HB3 PHE A 61 7.809 -4.031 0.265 1.00 0.00 H new ATOM 0 HD1 PHE A 61 9.560 -2.236 0.518 1.00 0.00 H new ATOM 0 HD2 PHE A 61 10.461 -6.394 1.106 1.00 0.00 H new ATOM 0 HE1 PHE A 61 11.981 -1.743 0.304 1.00 0.00 H new ATOM 0 HE2 PHE A 61 12.882 -5.901 0.892 1.00 0.00 H new ATOM 0 HZ PHE A 61 13.642 -3.576 0.486 1.00 0.00 H new ATOM 1001 N SER A 62 7.734 -6.634 3.260 1.00 0.00 N ATOM 1002 CA SER A 62 8.110 -7.771 4.092 1.00 0.00 C ATOM 1003 C SER A 62 9.515 -8.252 3.749 1.00 0.00 C ATOM 1004 O SER A 62 9.705 -9.023 2.807 1.00 0.00 O ATOM 1005 CB SER A 62 7.118 -8.917 3.893 1.00 0.00 C ATOM 1006 OG SER A 62 6.960 -9.619 5.120 1.00 0.00 O ATOM 0 H SER A 62 6.926 -6.795 2.658 1.00 0.00 H new ATOM 0 HA SER A 62 8.093 -7.450 5.133 1.00 0.00 H new ATOM 0 HB2 SER A 62 6.157 -8.527 3.557 1.00 0.00 H new ATOM 0 HB3 SER A 62 7.477 -9.593 3.117 1.00 0.00 H new ATOM 0 HG SER A 62 7.695 -10.258 5.228 1.00 0.00 H new ATOM 1012 N SER A 63 10.498 -7.794 4.517 1.00 0.00 N ATOM 1013 CA SER A 63 11.880 -8.189 4.282 1.00 0.00 C ATOM 1014 C SER A 63 11.975 -9.700 4.091 1.00 0.00 C ATOM 1015 O SER A 63 13.011 -10.217 3.674 1.00 0.00 O ATOM 1016 CB SER A 63 12.755 -7.764 5.462 1.00 0.00 C ATOM 1017 OG SER A 63 13.965 -7.207 4.968 1.00 0.00 O ATOM 0 H SER A 63 10.365 -7.155 5.300 1.00 0.00 H new ATOM 0 HA SER A 63 12.232 -7.695 3.377 1.00 0.00 H new ATOM 0 HB2 SER A 63 12.228 -7.034 6.076 1.00 0.00 H new ATOM 0 HB3 SER A 63 12.969 -8.622 6.099 1.00 0.00 H new ATOM 0 HG SER A 63 14.529 -6.931 5.720 1.00 0.00 H new ATOM 1023 N THR A 64 10.887 -10.402 4.395 1.00 0.00 N ATOM 1024 CA THR A 64 10.859 -11.854 4.250 1.00 0.00 C ATOM 1025 C THR A 64 10.339 -12.243 2.870 1.00 0.00 C ATOM 1026 CB THR A 64 9.962 -12.475 5.325 1.00 0.00 C ATOM 1027 OG1 THR A 64 8.958 -11.541 5.698 1.00 0.00 O ATOM 1028 CG2 THR A 64 10.801 -12.840 6.549 1.00 0.00 C ATOM 0 H THR A 64 10.019 -9.993 4.741 1.00 0.00 H new ATOM 0 HA THR A 64 11.876 -12.229 4.366 1.00 0.00 H new ATOM 0 HB THR A 64 9.494 -13.376 4.929 1.00 0.00 H new ATOM 0 HG1 THR A 64 8.382 -11.937 6.385 1.00 0.00 H new ATOM 0 HG21 THR A 64 10.159 -13.281 7.311 1.00 0.00 H new ATOM 0 HG22 THR A 64 11.570 -13.557 6.262 1.00 0.00 H new ATOM 0 HG23 THR A 64 11.273 -11.942 6.948 1.00 0.00 H new TER 1036 THR A 64 HETATM 1037 ZN ZN A1319 -5.191 -3.854 -7.405 1.00 0.00 ZN HETATM 1038 PG ATP A1318 2.971 1.684 10.889 1.00 0.00 P HETATM 1039 O1G ATP A1318 3.202 1.469 12.336 1.00 0.00 O HETATM 1040 O2G ATP A1318 4.361 2.072 10.176 1.00 0.00 O HETATM 1041 O3G ATP A1318 1.903 2.870 10.679 1.00 0.00 O HETATM 1042 PB ATP A1318 0.806 0.340 10.480 1.00 0.00 P HETATM 1043 O1B ATP A1318 0.521 0.708 11.886 1.00 0.00 O HETATM 1044 O2B ATP A1318 0.109 1.410 9.497 1.00 0.00 O HETATM 1045 O3B ATP A1318 2.396 0.329 10.235 1.00 0.00 O HETATM 1046 PA ATP A1318 0.497 -1.454 8.636 1.00 0.00 P HETATM 1047 O1A ATP A1318 1.952 -1.381 8.365 1.00 0.00 O HETATM 1048 O2A ATP A1318 -0.266 -0.379 7.709 1.00 0.00 O HETATM 1049 O3A ATP A1318 0.212 -1.130 10.187 1.00 0.00 O HETATM 1050 O5' ATP A1318 -0.054 -2.933 8.288 1.00 0.00 O HETATM 1051 C5' ATP A1318 0.928 -3.881 8.720 1.00 0.00 C HETATM 1052 C4' ATP A1318 1.390 -4.713 7.520 1.00 0.00 C HETATM 1053 O4' ATP A1318 0.253 -5.076 6.692 1.00 0.00 O HETATM 1054 C3' ATP A1318 2.360 -3.913 6.625 1.00 0.00 C HETATM 1055 O3' ATP A1318 3.692 -4.420 6.743 1.00 0.00 O HETATM 1056 C2' ATP A1318 1.806 -4.063 5.200 1.00 0.00 C HETATM 1057 O2' ATP A1318 2.844 -4.435 4.291 1.00 0.00 O HETATM 1058 C1' ATP A1318 0.714 -5.140 5.315 1.00 0.00 C HETATM 1059 N9 ATP A1318 -0.402 -4.835 4.414 1.00 0.00 N HETATM 1060 C8 ATP A1318 -1.598 -4.284 4.782 1.00 0.00 C HETATM 1061 N7 ATP A1318 -2.438 -4.334 3.790 1.00 0.00 N HETATM 1062 C5 ATP A1318 -1.781 -4.728 2.678 1.00 0.00 C HETATM 1063 C6 ATP A1318 -2.110 -4.882 1.306 1.00 0.00 C HETATM 1064 N6 ATP A1318 -3.427 -4.834 0.891 1.00 0.00 N HETATM 1065 N1 ATP A1318 -1.109 -5.084 0.415 1.00 0.00 N HETATM 1066 C2 ATP A1318 0.107 -5.483 0.812 1.00 0.00 C HETATM 1067 N3 ATP A1318 0.435 -5.459 2.109 1.00 0.00 N HETATM 1068 C4 ATP A1318 -0.451 -5.047 3.056 1.00 0.00 C HETATM 0 HO3' ATP A1318 4.035 -4.648 5.854 1.00 0.00 H new HETATM 0 HO2' ATP A1318 3.363 -3.641 4.045 1.00 0.00 H new HETATM 0 HN62 ATP A1318 -3.655 -4.946 -0.097 1.00 0.00 H new HETATM 0 HN61 ATP A1318 -4.171 -4.687 1.573 1.00 0.00 H new HETATM 0 H5'2 ATP A1318 1.777 -3.364 9.167 1.00 0.00 H new HETATM 0 H5'1 ATP A1318 0.509 -4.531 9.488 1.00 0.00 H new HETATM 0 H8 ATP A1318 -1.816 -3.864 5.764 1.00 0.00 H new HETATM 0 H4' ATP A1318 1.887 -5.597 7.919 1.00 0.00 H new HETATM 0 H3' ATP A1318 2.422 -2.863 6.912 1.00 0.00 H new HETATM 0 H2' ATP A1318 1.399 -3.132 4.805 1.00 0.00 H new HETATM 0 H2 ATP A1318 0.832 -5.829 0.075 1.00 0.00 H new HETATM 0 H1' ATP A1318 1.095 -6.126 5.048 1.00 0.00 H new