USER MOD reduce.3.24.130724 H: found=0, std=0, add=489, rem=0, adj=10 USER MOD reduce.3.24.130724 removed 489 hydrogens (2 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 24 MET CE :methyl 150:sc= -2.84! (180deg=-5.02!) USER MOD Set 1.2: A 51 TYR OH : rot 180:sc= 0 USER MOD Single : A 1 LEU N :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 2 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 4 ASN : amide:sc= -1.49 K(o=-1.5,f=-4.8!) USER MOD Single : A 5 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 11 TYR OH : rot 180:sc= 0 USER MOD Single : A 12 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 13 THR OG1 : rot 180:sc= -3.51! USER MOD Single : A 18 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 19 ASN : amide:sc= -1.27 K(o=-1.3,f=-3.4!) USER MOD Single : A 22 TYR OH : rot 180:sc= 0 USER MOD Single : A 23 LYS NZ :NH3+ -174:sc= -0.839 (180deg=-0.872) USER MOD Single : A 26 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Single : A 27 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Single : A 28 SER OG : rot 180:sc= -0.376 USER MOD Single : A 31 THR OG1 : rot 180:sc= 0 USER MOD Single : A 35 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 44 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 45 ASN : amide:sc= -1.18 K(o=-1.2,f=-6!) USER MOD Single : A 46 SER OG : rot 180:sc= 0.179 USER MOD Single : A 50 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 55 ASN : amide:sc= -2.09 K(o=-2.1,f=-0.37) USER MOD Single : A 56 THR OG1 : rot 180:sc= -0.945 USER MOD Single : A 60 ASN : amide:sc= -5.51 K(o=-5.5,f=-11!) USER MOD ----------------------------------------------------------------- ATOM 1 N LEU A 1 7.011 11.965 -1.412 1.00 0.00 N ATOM 2 CA LEU A 1 6.434 10.876 -0.644 1.00 0.00 C ATOM 3 C LEU A 1 6.920 9.542 -1.214 1.00 0.00 C ATOM 4 O LEU A 1 6.542 9.160 -2.320 1.00 0.00 O ATOM 5 CB LEU A 1 4.909 11.004 -0.595 1.00 0.00 C ATOM 6 CG LEU A 1 4.255 10.697 0.754 1.00 0.00 C ATOM 7 CD1 LEU A 1 4.540 9.258 1.188 1.00 0.00 C ATOM 8 CD2 LEU A 1 4.683 11.713 1.815 1.00 0.00 C ATOM 0 H1 LEU A 1 6.682 12.874 -1.027 1.00 0.00 H new ATOM 0 H2 LEU A 1 8.048 11.919 -1.354 1.00 0.00 H new ATOM 0 H3 LEU A 1 6.716 11.883 -2.406 1.00 0.00 H new ATOM 0 HA LEU A 1 6.769 10.922 0.392 1.00 0.00 H new ATOM 0 HB2 LEU A 1 4.640 12.020 -0.885 1.00 0.00 H new ATOM 0 HB3 LEU A 1 4.484 10.336 -1.344 1.00 0.00 H new ATOM 0 HG LEU A 1 3.175 10.789 0.638 1.00 0.00 H new ATOM 0 HD11 LEU A 1 4.064 9.067 2.150 1.00 0.00 H new ATOM 0 HD12 LEU A 1 4.144 8.568 0.443 1.00 0.00 H new ATOM 0 HD13 LEU A 1 5.616 9.112 1.281 1.00 0.00 H new ATOM 0 HD21 LEU A 1 4.204 11.472 2.764 1.00 0.00 H new ATOM 0 HD22 LEU A 1 5.766 11.679 1.936 1.00 0.00 H new ATOM 0 HD23 LEU A 1 4.385 12.714 1.502 1.00 0.00 H new ATOM 20 N LYS A 2 7.752 8.869 -0.432 1.00 0.00 N ATOM 21 CA LYS A 2 8.294 7.586 -0.845 1.00 0.00 C ATOM 22 C LYS A 2 7.901 6.518 0.178 1.00 0.00 C ATOM 23 O LYS A 2 7.854 6.789 1.377 1.00 0.00 O ATOM 24 CB LYS A 2 9.804 7.692 -1.076 1.00 0.00 C ATOM 25 CG LYS A 2 10.118 8.666 -2.211 1.00 0.00 C ATOM 26 CD LYS A 2 10.814 9.922 -1.681 1.00 0.00 C ATOM 27 CE LYS A 2 12.334 9.802 -1.812 1.00 0.00 C ATOM 28 NZ LYS A 2 13.003 10.946 -1.154 1.00 0.00 N ATOM 0 H LYS A 2 8.064 9.188 0.485 1.00 0.00 H new ATOM 0 HA LYS A 2 7.869 7.282 -1.802 1.00 0.00 H new ATOM 0 HB2 LYS A 2 10.293 8.025 -0.161 1.00 0.00 H new ATOM 0 HB3 LYS A 2 10.209 6.708 -1.314 1.00 0.00 H new ATOM 0 HG2 LYS A 2 10.755 8.177 -2.948 1.00 0.00 H new ATOM 0 HG3 LYS A 2 9.196 8.945 -2.721 1.00 0.00 H new ATOM 0 HD2 LYS A 2 10.466 10.795 -2.232 1.00 0.00 H new ATOM 0 HD3 LYS A 2 10.546 10.077 -0.636 1.00 0.00 H new ATOM 0 HE2 LYS A 2 12.671 8.868 -1.362 1.00 0.00 H new ATOM 0 HE3 LYS A 2 12.612 9.767 -2.865 1.00 0.00 H new ATOM 0 HZ1 LYS A 2 14.034 10.849 -1.252 1.00 0.00 H new ATOM 0 HZ2 LYS A 2 12.695 11.833 -1.601 1.00 0.00 H new ATOM 0 HZ3 LYS A 2 12.751 10.962 -0.145 1.00 0.00 H new ATOM 42 N CYS A 3 7.630 5.326 -0.334 1.00 0.00 N ATOM 43 CA CYS A 3 7.243 4.217 0.521 1.00 0.00 C ATOM 44 C CYS A 3 7.991 2.966 0.052 1.00 0.00 C ATOM 45 O CYS A 3 8.579 2.959 -1.028 1.00 0.00 O ATOM 46 CB CYS A 3 5.727 4.007 0.524 1.00 0.00 C ATOM 47 SG CYS A 3 4.814 5.031 1.734 1.00 0.00 S ATOM 0 H CYS A 3 7.671 5.104 -1.329 1.00 0.00 H new ATOM 0 HA CYS A 3 7.515 4.438 1.553 1.00 0.00 H new ATOM 0 HB2 CYS A 3 5.343 4.219 -0.474 1.00 0.00 H new ATOM 0 HB3 CYS A 3 5.520 2.957 0.729 1.00 0.00 H new ATOM 52 N ASN A 4 7.944 1.939 0.889 1.00 0.00 N ATOM 53 CA ASN A 4 8.610 0.687 0.573 1.00 0.00 C ATOM 54 C ASN A 4 7.808 -0.057 -0.496 1.00 0.00 C ATOM 55 O ASN A 4 6.603 0.150 -0.630 1.00 0.00 O ATOM 56 CB ASN A 4 8.700 -0.214 1.807 1.00 0.00 C ATOM 57 CG ASN A 4 8.900 0.616 3.078 1.00 0.00 C ATOM 58 OD1 ASN A 4 7.965 0.954 3.783 1.00 0.00 O ATOM 59 ND2 ASN A 4 10.170 0.922 3.329 1.00 0.00 N ATOM 0 H ASN A 4 7.456 1.949 1.784 1.00 0.00 H new ATOM 0 HA ASN A 4 9.615 0.919 0.220 1.00 0.00 H new ATOM 0 HB2 ASN A 4 7.790 -0.808 1.895 1.00 0.00 H new ATOM 0 HB3 ASN A 4 9.528 -0.914 1.691 1.00 0.00 H new ATOM 0 HD21 ASN A 4 10.409 1.472 4.154 1.00 0.00 H new ATOM 0 HD22 ASN A 4 10.905 0.607 2.696 1.00 0.00 H new ATOM 66 N LYS A 5 8.509 -0.908 -1.231 1.00 0.00 N ATOM 67 CA LYS A 5 7.878 -1.684 -2.285 1.00 0.00 C ATOM 68 C LYS A 5 7.511 -3.067 -1.745 1.00 0.00 C ATOM 69 O LYS A 5 7.542 -3.294 -0.536 1.00 0.00 O ATOM 70 CB LYS A 5 8.770 -1.726 -3.527 1.00 0.00 C ATOM 71 CG LYS A 5 8.970 -0.323 -4.107 1.00 0.00 C ATOM 72 CD LYS A 5 7.651 0.245 -4.635 1.00 0.00 C ATOM 73 CE LYS A 5 7.023 -0.696 -5.667 1.00 0.00 C ATOM 74 NZ LYS A 5 6.587 0.062 -6.861 1.00 0.00 N ATOM 0 H LYS A 5 9.508 -1.077 -1.117 1.00 0.00 H new ATOM 0 HA LYS A 5 6.950 -1.209 -2.603 1.00 0.00 H new ATOM 0 HB2 LYS A 5 9.737 -2.158 -3.270 1.00 0.00 H new ATOM 0 HB3 LYS A 5 8.321 -2.374 -4.280 1.00 0.00 H new ATOM 0 HG2 LYS A 5 9.373 0.338 -3.339 1.00 0.00 H new ATOM 0 HG3 LYS A 5 9.703 -0.360 -4.913 1.00 0.00 H new ATOM 0 HD2 LYS A 5 6.959 0.397 -3.807 1.00 0.00 H new ATOM 0 HD3 LYS A 5 7.826 1.221 -5.087 1.00 0.00 H new ATOM 0 HE2 LYS A 5 7.744 -1.460 -5.957 1.00 0.00 H new ATOM 0 HE3 LYS A 5 6.171 -1.213 -5.226 1.00 0.00 H new ATOM 0 HZ1 LYS A 5 6.163 -0.591 -7.551 1.00 0.00 H new ATOM 0 HZ2 LYS A 5 5.883 0.775 -6.582 1.00 0.00 H new ATOM 0 HZ3 LYS A 5 7.408 0.535 -7.291 1.00 0.00 H new ATOM 88 N LEU A 6 7.173 -3.957 -2.666 1.00 0.00 N ATOM 89 CA LEU A 6 6.800 -5.311 -2.297 1.00 0.00 C ATOM 90 C LEU A 6 7.767 -5.829 -1.230 1.00 0.00 C ATOM 91 O LEU A 6 7.341 -6.368 -0.210 1.00 0.00 O ATOM 92 CB LEU A 6 6.721 -6.202 -3.538 1.00 0.00 C ATOM 93 CG LEU A 6 5.638 -7.282 -3.521 1.00 0.00 C ATOM 94 CD1 LEU A 6 5.867 -8.271 -2.378 1.00 0.00 C ATOM 95 CD2 LEU A 6 4.241 -6.657 -3.467 1.00 0.00 C ATOM 0 H LEU A 6 7.150 -3.766 -3.668 1.00 0.00 H new ATOM 0 HA LEU A 6 5.802 -5.325 -1.858 1.00 0.00 H new ATOM 0 HB2 LEU A 6 6.558 -5.566 -4.408 1.00 0.00 H new ATOM 0 HB3 LEU A 6 7.688 -6.687 -3.675 1.00 0.00 H new ATOM 0 HG LEU A 6 5.704 -7.845 -4.452 1.00 0.00 H new ATOM 0 HD11 LEU A 6 5.083 -9.028 -2.389 1.00 0.00 H new ATOM 0 HD12 LEU A 6 6.837 -8.752 -2.502 1.00 0.00 H new ATOM 0 HD13 LEU A 6 5.844 -7.739 -1.427 1.00 0.00 H new ATOM 0 HD21 LEU A 6 3.489 -7.446 -3.456 1.00 0.00 H new ATOM 0 HD22 LEU A 6 4.147 -6.054 -2.564 1.00 0.00 H new ATOM 0 HD23 LEU A 6 4.091 -6.025 -4.343 1.00 0.00 H new ATOM 107 N VAL A 7 9.051 -5.646 -1.502 1.00 0.00 N ATOM 108 CA VAL A 7 10.082 -6.088 -0.578 1.00 0.00 C ATOM 109 C VAL A 7 10.527 -4.906 0.286 1.00 0.00 C ATOM 110 O VAL A 7 11.177 -3.984 -0.206 1.00 0.00 O ATOM 111 CB VAL A 7 11.236 -6.732 -1.349 1.00 0.00 C ATOM 112 CG1 VAL A 7 12.004 -7.717 -0.466 1.00 0.00 C ATOM 113 CG2 VAL A 7 10.731 -7.416 -2.621 1.00 0.00 C ATOM 0 H VAL A 7 9.401 -5.198 -2.349 1.00 0.00 H new ATOM 0 HA VAL A 7 9.691 -6.853 0.093 1.00 0.00 H new ATOM 0 HB VAL A 7 11.924 -5.940 -1.644 1.00 0.00 H new ATOM 0 HG11 VAL A 7 12.819 -8.160 -1.039 1.00 0.00 H new ATOM 0 HG12 VAL A 7 12.412 -7.191 0.397 1.00 0.00 H new ATOM 0 HG13 VAL A 7 11.330 -8.503 -0.126 1.00 0.00 H new ATOM 0 HG21 VAL A 7 11.571 -7.866 -3.150 1.00 0.00 H new ATOM 0 HG22 VAL A 7 10.012 -8.191 -2.356 1.00 0.00 H new ATOM 0 HG23 VAL A 7 10.250 -6.679 -3.264 1.00 0.00 H new ATOM 123 N PRO A 8 10.159 -4.971 1.557 1.00 0.00 N ATOM 124 CA PRO A 8 10.524 -3.886 2.522 1.00 0.00 C ATOM 125 C PRO A 8 12.031 -3.549 2.796 1.00 0.00 C ATOM 126 O PRO A 8 12.346 -2.807 3.725 1.00 0.00 O ATOM 127 CB PRO A 8 9.771 -4.314 3.802 1.00 0.00 C ATOM 128 CG PRO A 8 8.712 -5.320 3.346 1.00 0.00 C ATOM 129 CD PRO A 8 9.369 -6.059 2.183 1.00 0.00 C ATOM 0 HA PRO A 8 10.244 -2.927 2.085 1.00 0.00 H new ATOM 0 HB2 PRO A 8 10.452 -4.764 4.524 1.00 0.00 H new ATOM 0 HB3 PRO A 8 9.310 -3.455 4.290 1.00 0.00 H new ATOM 0 HG2 PRO A 8 8.441 -6.004 4.150 1.00 0.00 H new ATOM 0 HG3 PRO A 8 7.796 -4.819 3.032 1.00 0.00 H new ATOM 0 HD2 PRO A 8 9.999 -6.882 2.522 1.00 0.00 H new ATOM 0 HD3 PRO A 8 8.635 -6.481 1.497 1.00 0.00 H new ATOM 137 N ILE A 9 12.891 -4.117 1.964 1.00 0.00 N ATOM 138 CA ILE A 9 14.320 -3.893 2.099 1.00 0.00 C ATOM 139 C ILE A 9 14.743 -2.751 1.173 1.00 0.00 C ATOM 140 O ILE A 9 15.896 -2.323 1.197 1.00 0.00 O ATOM 141 CB ILE A 9 15.090 -5.194 1.862 1.00 0.00 C ATOM 142 CG1 ILE A 9 16.601 -4.948 1.878 1.00 0.00 C ATOM 143 CG2 ILE A 9 14.635 -5.874 0.569 1.00 0.00 C ATOM 144 CD1 ILE A 9 17.042 -4.327 3.205 1.00 0.00 C ATOM 0 H ILE A 9 12.626 -4.732 1.194 1.00 0.00 H new ATOM 0 HA ILE A 9 14.563 -3.586 3.116 1.00 0.00 H new ATOM 0 HB ILE A 9 14.865 -5.877 2.681 1.00 0.00 H new ATOM 0 HG12 ILE A 9 17.128 -5.889 1.720 1.00 0.00 H new ATOM 0 HG13 ILE A 9 16.874 -4.288 1.055 1.00 0.00 H new ATOM 0 HG21 ILE A 9 15.198 -6.796 0.425 1.00 0.00 H new ATOM 0 HG22 ILE A 9 13.572 -6.105 0.634 1.00 0.00 H new ATOM 0 HG23 ILE A 9 14.810 -5.206 -0.274 1.00 0.00 H new ATOM 0 HD11 ILE A 9 18.119 -4.163 3.190 1.00 0.00 H new ATOM 0 HD12 ILE A 9 16.532 -3.375 3.348 1.00 0.00 H new ATOM 0 HD13 ILE A 9 16.789 -5.001 4.024 1.00 0.00 H new ATOM 156 N ALA A 10 13.788 -2.290 0.380 1.00 0.00 N ATOM 157 CA ALA A 10 14.047 -1.205 -0.552 1.00 0.00 C ATOM 158 C ALA A 10 12.739 -0.467 -0.843 1.00 0.00 C ATOM 159 O ALA A 10 11.697 -1.092 -1.031 1.00 0.00 O ATOM 160 CB ALA A 10 14.695 -1.766 -1.820 1.00 0.00 C ATOM 0 H ALA A 10 12.833 -2.648 0.363 1.00 0.00 H new ATOM 0 HA ALA A 10 14.743 -0.485 -0.121 1.00 0.00 H new ATOM 0 HB1 ALA A 10 14.890 -0.953 -2.519 1.00 0.00 H new ATOM 0 HB2 ALA A 10 15.634 -2.256 -1.563 1.00 0.00 H new ATOM 0 HB3 ALA A 10 14.023 -2.489 -2.282 1.00 0.00 H new ATOM 166 N TYR A 11 12.838 0.854 -0.873 1.00 0.00 N ATOM 167 CA TYR A 11 11.676 1.686 -1.138 1.00 0.00 C ATOM 168 C TYR A 11 11.944 2.649 -2.297 1.00 0.00 C ATOM 169 O TYR A 11 13.095 2.965 -2.593 1.00 0.00 O ATOM 170 CB TYR A 11 11.436 2.495 0.137 1.00 0.00 C ATOM 171 CG TYR A 11 12.565 3.471 0.476 1.00 0.00 C ATOM 172 CD1 TYR A 11 12.674 4.666 -0.207 1.00 0.00 C ATOM 173 CD2 TYR A 11 13.476 3.156 1.464 1.00 0.00 C ATOM 174 CE1 TYR A 11 13.737 5.584 0.114 1.00 0.00 C ATOM 175 CE2 TYR A 11 14.538 4.074 1.784 1.00 0.00 C ATOM 176 CZ TYR A 11 14.616 5.242 1.093 1.00 0.00 C ATOM 177 OH TYR A 11 15.619 6.109 1.394 1.00 0.00 O ATOM 0 H TYR A 11 13.705 1.369 -0.718 1.00 0.00 H new ATOM 0 HA TYR A 11 10.818 1.071 -1.410 1.00 0.00 H new ATOM 0 HB2 TYR A 11 10.506 3.054 0.031 1.00 0.00 H new ATOM 0 HB3 TYR A 11 11.301 1.807 0.972 1.00 0.00 H new ATOM 0 HD1 TYR A 11 11.963 4.912 -0.981 1.00 0.00 H new ATOM 0 HD2 TYR A 11 13.392 2.221 1.997 1.00 0.00 H new ATOM 0 HE1 TYR A 11 13.833 6.523 -0.411 1.00 0.00 H new ATOM 0 HE2 TYR A 11 15.256 3.840 2.556 1.00 0.00 H new ATOM 0 HH TYR A 11 16.170 5.735 2.113 1.00 0.00 H new ATOM 187 N LYS A 12 10.861 3.088 -2.922 1.00 0.00 N ATOM 188 CA LYS A 12 10.965 4.009 -4.041 1.00 0.00 C ATOM 189 C LYS A 12 9.914 5.111 -3.889 1.00 0.00 C ATOM 190 O LYS A 12 9.221 5.175 -2.876 1.00 0.00 O ATOM 191 CB LYS A 12 10.874 3.251 -5.368 1.00 0.00 C ATOM 192 CG LYS A 12 12.116 2.387 -5.592 1.00 0.00 C ATOM 193 CD LYS A 12 12.661 2.569 -7.010 1.00 0.00 C ATOM 194 CE LYS A 12 14.191 2.535 -7.018 1.00 0.00 C ATOM 195 NZ LYS A 12 14.740 3.824 -6.542 1.00 0.00 N ATOM 0 H LYS A 12 9.908 2.823 -2.675 1.00 0.00 H new ATOM 0 HA LYS A 12 11.940 4.496 -4.044 1.00 0.00 H new ATOM 0 HB2 LYS A 12 9.984 2.622 -5.371 1.00 0.00 H new ATOM 0 HB3 LYS A 12 10.767 3.960 -6.189 1.00 0.00 H new ATOM 0 HG2 LYS A 12 12.884 2.653 -4.866 1.00 0.00 H new ATOM 0 HG3 LYS A 12 11.869 1.339 -5.425 1.00 0.00 H new ATOM 0 HD2 LYS A 12 12.273 1.782 -7.656 1.00 0.00 H new ATOM 0 HD3 LYS A 12 12.313 3.518 -7.418 1.00 0.00 H new ATOM 0 HE2 LYS A 12 14.546 1.724 -6.382 1.00 0.00 H new ATOM 0 HE3 LYS A 12 14.551 2.330 -8.026 1.00 0.00 H new ATOM 0 HZ1 LYS A 12 15.779 3.784 -6.554 1.00 0.00 H new ATOM 0 HZ2 LYS A 12 14.416 4.591 -7.165 1.00 0.00 H new ATOM 0 HZ3 LYS A 12 14.411 4.004 -5.572 1.00 0.00 H new ATOM 209 N THR A 13 9.831 5.949 -4.911 1.00 0.00 N ATOM 210 CA THR A 13 8.877 7.045 -4.904 1.00 0.00 C ATOM 211 C THR A 13 7.508 6.564 -5.388 1.00 0.00 C ATOM 212 O THR A 13 7.422 5.703 -6.262 1.00 0.00 O ATOM 213 CB THR A 13 9.455 8.182 -5.748 1.00 0.00 C ATOM 214 OG1 THR A 13 9.987 9.091 -4.789 1.00 0.00 O ATOM 215 CG2 THR A 13 8.371 8.989 -6.467 1.00 0.00 C ATOM 0 H THR A 13 10.409 5.891 -5.750 1.00 0.00 H new ATOM 0 HA THR A 13 8.716 7.421 -3.894 1.00 0.00 H new ATOM 0 HB THR A 13 10.148 7.772 -6.483 1.00 0.00 H new ATOM 0 HG1 THR A 13 10.384 9.859 -5.251 1.00 0.00 H new ATOM 0 HG21 THR A 13 8.836 9.783 -7.051 1.00 0.00 H new ATOM 0 HG22 THR A 13 7.808 8.332 -7.130 1.00 0.00 H new ATOM 0 HG23 THR A 13 7.696 9.427 -5.732 1.00 0.00 H new ATOM 223 N CYS A 14 6.470 7.141 -4.799 1.00 0.00 N ATOM 224 CA CYS A 14 5.110 6.782 -5.160 1.00 0.00 C ATOM 225 C CYS A 14 4.795 7.399 -6.524 1.00 0.00 C ATOM 226 O CYS A 14 5.021 8.589 -6.738 1.00 0.00 O ATOM 227 CB CYS A 14 4.106 7.219 -4.090 1.00 0.00 C ATOM 228 SG CYS A 14 4.305 6.396 -2.469 1.00 0.00 S ATOM 0 H CYS A 14 6.544 7.855 -4.074 1.00 0.00 H new ATOM 0 HA CYS A 14 5.023 5.697 -5.225 1.00 0.00 H new ATOM 0 HB2 CYS A 14 4.194 8.296 -3.948 1.00 0.00 H new ATOM 0 HB3 CYS A 14 3.098 7.027 -4.458 1.00 0.00 H new ATOM 233 N PRO A 15 4.279 6.562 -7.411 1.00 0.00 N ATOM 234 CA PRO A 15 3.921 7.024 -8.791 1.00 0.00 C ATOM 235 C PRO A 15 3.095 8.342 -8.989 1.00 0.00 C ATOM 236 O PRO A 15 2.507 8.859 -8.040 1.00 0.00 O ATOM 237 CB PRO A 15 3.210 5.785 -9.380 1.00 0.00 C ATOM 238 CG PRO A 15 2.848 4.902 -8.185 1.00 0.00 C ATOM 239 CD PRO A 15 3.976 5.141 -7.184 1.00 0.00 C ATOM 0 HA PRO A 15 4.831 7.352 -9.294 1.00 0.00 H new ATOM 0 HB2 PRO A 15 2.318 6.074 -9.936 1.00 0.00 H new ATOM 0 HB3 PRO A 15 3.861 5.254 -10.075 1.00 0.00 H new ATOM 0 HG2 PRO A 15 1.880 5.177 -7.766 1.00 0.00 H new ATOM 0 HG3 PRO A 15 2.786 3.852 -8.471 1.00 0.00 H new ATOM 0 HD2 PRO A 15 3.661 4.948 -6.158 1.00 0.00 H new ATOM 0 HD3 PRO A 15 4.838 4.502 -7.378 1.00 0.00 H new ATOM 247 N GLU A 16 3.094 8.822 -10.224 1.00 0.00 N ATOM 248 CA GLU A 16 2.370 10.037 -10.554 1.00 0.00 C ATOM 249 C GLU A 16 0.866 9.828 -10.362 1.00 0.00 C ATOM 250 O GLU A 16 0.328 8.788 -10.739 1.00 0.00 O ATOM 251 CB GLU A 16 2.683 10.492 -11.981 1.00 0.00 C ATOM 252 CG GLU A 16 4.122 11.000 -12.091 1.00 0.00 C ATOM 253 CD GLU A 16 4.166 12.529 -12.080 1.00 0.00 C ATOM 254 OE1 GLU A 16 3.386 13.126 -12.854 1.00 0.00 O ATOM 255 OE2 GLU A 16 4.979 13.068 -11.298 1.00 0.00 O ATOM 0 H GLU A 16 3.583 8.391 -11.008 1.00 0.00 H new ATOM 0 HA GLU A 16 2.697 10.826 -9.877 1.00 0.00 H new ATOM 0 HB2 GLU A 16 2.532 9.663 -12.672 1.00 0.00 H new ATOM 0 HB3 GLU A 16 1.991 11.282 -12.275 1.00 0.00 H new ATOM 0 HG2 GLU A 16 4.714 10.610 -11.263 1.00 0.00 H new ATOM 0 HG3 GLU A 16 4.574 10.626 -13.010 1.00 0.00 H new ATOM 262 N GLY A 17 0.231 10.833 -9.778 1.00 0.00 N ATOM 263 CA GLY A 17 -1.199 10.773 -9.531 1.00 0.00 C ATOM 264 C GLY A 17 -1.497 10.107 -8.186 1.00 0.00 C ATOM 265 O GLY A 17 -2.562 10.316 -7.609 1.00 0.00 O ATOM 0 H GLY A 17 0.681 11.694 -9.468 1.00 0.00 H new ATOM 0 HA2 GLY A 17 -1.616 11.780 -9.542 1.00 0.00 H new ATOM 0 HA3 GLY A 17 -1.687 10.217 -10.332 1.00 0.00 H new ATOM 269 N LYS A 18 -0.536 9.319 -7.728 1.00 0.00 N ATOM 270 CA LYS A 18 -0.681 8.621 -6.461 1.00 0.00 C ATOM 271 C LYS A 18 0.351 9.155 -5.468 1.00 0.00 C ATOM 272 O LYS A 18 1.544 8.892 -5.605 1.00 0.00 O ATOM 273 CB LYS A 18 -0.606 7.107 -6.672 1.00 0.00 C ATOM 274 CG LYS A 18 -1.599 6.653 -7.745 1.00 0.00 C ATOM 275 CD LYS A 18 -1.233 5.266 -8.277 1.00 0.00 C ATOM 276 CE LYS A 18 -2.106 4.891 -9.476 1.00 0.00 C ATOM 277 NZ LYS A 18 -3.370 4.269 -9.024 1.00 0.00 N ATOM 0 H LYS A 18 0.346 9.148 -8.211 1.00 0.00 H new ATOM 0 HA LYS A 18 -1.665 8.812 -6.032 1.00 0.00 H new ATOM 0 HB2 LYS A 18 0.406 6.827 -6.966 1.00 0.00 H new ATOM 0 HB3 LYS A 18 -0.819 6.594 -5.734 1.00 0.00 H new ATOM 0 HG2 LYS A 18 -2.606 6.633 -7.329 1.00 0.00 H new ATOM 0 HG3 LYS A 18 -1.607 7.371 -8.565 1.00 0.00 H new ATOM 0 HD2 LYS A 18 -0.183 5.250 -8.568 1.00 0.00 H new ATOM 0 HD3 LYS A 18 -1.356 4.525 -7.487 1.00 0.00 H new ATOM 0 HE2 LYS A 18 -2.323 5.781 -10.067 1.00 0.00 H new ATOM 0 HE3 LYS A 18 -1.566 4.201 -10.124 1.00 0.00 H new ATOM 0 HZ1 LYS A 18 -3.950 4.021 -9.851 1.00 0.00 H new ATOM 0 HZ2 LYS A 18 -3.158 3.409 -8.479 1.00 0.00 H new ATOM 0 HZ3 LYS A 18 -3.892 4.939 -8.424 1.00 0.00 H new ATOM 291 N ASN A 19 -0.145 9.897 -4.489 1.00 0.00 N ATOM 292 CA ASN A 19 0.719 10.471 -3.472 1.00 0.00 C ATOM 293 C ASN A 19 0.448 9.787 -2.131 1.00 0.00 C ATOM 294 O ASN A 19 1.119 10.068 -1.139 1.00 0.00 O ATOM 295 CB ASN A 19 0.452 11.968 -3.303 1.00 0.00 C ATOM 296 CG ASN A 19 1.219 12.530 -2.103 1.00 0.00 C ATOM 297 OD1 ASN A 19 2.330 12.127 -1.801 1.00 0.00 O ATOM 298 ND2 ASN A 19 0.566 13.479 -1.440 1.00 0.00 N ATOM 0 H ASN A 19 -1.135 10.114 -4.379 1.00 0.00 H new ATOM 0 HA ASN A 19 1.752 10.322 -3.785 1.00 0.00 H new ATOM 0 HB2 ASN A 19 0.747 12.498 -4.208 1.00 0.00 H new ATOM 0 HB3 ASN A 19 -0.616 12.138 -3.168 1.00 0.00 H new ATOM 0 HD21 ASN A 19 0.993 13.917 -0.624 1.00 0.00 H new ATOM 0 HD22 ASN A 19 -0.362 13.769 -1.747 1.00 0.00 H new ATOM 305 N LEU A 20 -0.537 8.901 -2.144 1.00 0.00 N ATOM 306 CA LEU A 20 -0.905 8.174 -0.941 1.00 0.00 C ATOM 307 C LEU A 20 -0.295 6.772 -0.991 1.00 0.00 C ATOM 308 O LEU A 20 -0.076 6.224 -2.070 1.00 0.00 O ATOM 309 CB LEU A 20 -2.425 8.177 -0.758 1.00 0.00 C ATOM 310 CG LEU A 20 -3.032 9.471 -0.213 1.00 0.00 C ATOM 311 CD1 LEU A 20 -4.559 9.385 -0.172 1.00 0.00 C ATOM 312 CD2 LEU A 20 -2.440 9.821 1.153 1.00 0.00 C ATOM 0 H LEU A 20 -1.091 8.670 -2.968 1.00 0.00 H new ATOM 0 HA LEU A 20 -0.499 8.667 -0.058 1.00 0.00 H new ATOM 0 HB2 LEU A 20 -2.887 7.959 -1.721 1.00 0.00 H new ATOM 0 HB3 LEU A 20 -2.692 7.362 -0.085 1.00 0.00 H new ATOM 0 HG LEU A 20 -2.774 10.283 -0.893 1.00 0.00 H new ATOM 0 HD11 LEU A 20 -4.966 10.318 0.219 1.00 0.00 H new ATOM 0 HD12 LEU A 20 -4.941 9.217 -1.179 1.00 0.00 H new ATOM 0 HD13 LEU A 20 -4.860 8.559 0.473 1.00 0.00 H new ATOM 0 HD21 LEU A 20 -2.888 10.745 1.518 1.00 0.00 H new ATOM 0 HD22 LEU A 20 -2.647 9.015 1.857 1.00 0.00 H new ATOM 0 HD23 LEU A 20 -1.362 9.953 1.059 1.00 0.00 H new ATOM 324 N CYS A 21 -0.037 6.232 0.191 1.00 0.00 N ATOM 325 CA CYS A 21 0.545 4.904 0.297 1.00 0.00 C ATOM 326 C CYS A 21 -0.552 3.934 0.741 1.00 0.00 C ATOM 327 O CYS A 21 -1.422 4.295 1.531 1.00 0.00 O ATOM 328 CB CYS A 21 1.743 4.886 1.247 1.00 0.00 C ATOM 329 SG CYS A 21 3.308 5.496 0.521 1.00 0.00 S ATOM 0 H CYS A 21 -0.220 6.690 1.084 1.00 0.00 H new ATOM 0 HA CYS A 21 0.931 4.594 -0.674 1.00 0.00 H new ATOM 0 HB2 CYS A 21 1.504 5.491 2.121 1.00 0.00 H new ATOM 0 HB3 CYS A 21 1.895 3.865 1.598 1.00 0.00 H new ATOM 334 N TYR A 22 -0.473 2.721 0.214 1.00 0.00 N ATOM 335 CA TYR A 22 -1.447 1.696 0.547 1.00 0.00 C ATOM 336 C TYR A 22 -0.762 0.357 0.827 1.00 0.00 C ATOM 337 O TYR A 22 0.324 0.092 0.313 1.00 0.00 O ATOM 338 CB TYR A 22 -2.341 1.548 -0.686 1.00 0.00 C ATOM 339 CG TYR A 22 -1.779 0.608 -1.754 1.00 0.00 C ATOM 340 CD1 TYR A 22 -0.832 1.067 -2.647 1.00 0.00 C ATOM 341 CD2 TYR A 22 -2.217 -0.699 -1.824 1.00 0.00 C ATOM 342 CE1 TYR A 22 -0.302 0.183 -3.653 1.00 0.00 C ATOM 343 CE2 TYR A 22 -1.687 -1.582 -2.830 1.00 0.00 C ATOM 344 CZ TYR A 22 -0.755 -1.099 -3.694 1.00 0.00 C ATOM 345 OH TYR A 22 -0.256 -1.934 -4.643 1.00 0.00 O ATOM 0 H TYR A 22 0.251 2.425 -0.441 1.00 0.00 H new ATOM 0 HA TYR A 22 -2.007 1.975 1.440 1.00 0.00 H new ATOM 0 HB2 TYR A 22 -3.318 1.181 -0.372 1.00 0.00 H new ATOM 0 HB3 TYR A 22 -2.497 2.532 -1.129 1.00 0.00 H new ATOM 0 HD1 TYR A 22 -0.488 2.089 -2.591 1.00 0.00 H new ATOM 0 HD2 TYR A 22 -2.957 -1.059 -1.125 1.00 0.00 H new ATOM 0 HE1 TYR A 22 0.438 0.530 -4.359 1.00 0.00 H new ATOM 0 HE2 TYR A 22 -2.023 -2.606 -2.897 1.00 0.00 H new ATOM 0 HH TYR A 22 -0.670 -2.818 -4.552 1.00 0.00 H new ATOM 355 N LYS A 23 -1.423 -0.451 1.643 1.00 0.00 N ATOM 356 CA LYS A 23 -0.890 -1.755 1.998 1.00 0.00 C ATOM 357 C LYS A 23 -2.048 -2.726 2.237 1.00 0.00 C ATOM 358 O LYS A 23 -2.951 -2.440 3.022 1.00 0.00 O ATOM 359 CB LYS A 23 0.069 -1.638 3.185 1.00 0.00 C ATOM 360 CG LYS A 23 -0.560 -0.826 4.319 1.00 0.00 C ATOM 361 CD LYS A 23 0.488 0.040 5.021 1.00 0.00 C ATOM 362 CE LYS A 23 0.584 -0.312 6.506 1.00 0.00 C ATOM 363 NZ LYS A 23 1.731 -1.215 6.752 1.00 0.00 N ATOM 0 H LYS A 23 -2.323 -0.228 2.068 1.00 0.00 H new ATOM 0 HA LYS A 23 -0.297 -2.160 1.178 1.00 0.00 H new ATOM 0 HB2 LYS A 23 0.330 -2.633 3.546 1.00 0.00 H new ATOM 0 HB3 LYS A 23 0.996 -1.163 2.863 1.00 0.00 H new ATOM 0 HG2 LYS A 23 -1.353 -0.193 3.921 1.00 0.00 H new ATOM 0 HG3 LYS A 23 -1.022 -1.500 5.040 1.00 0.00 H new ATOM 0 HD2 LYS A 23 1.459 -0.102 4.547 1.00 0.00 H new ATOM 0 HD3 LYS A 23 0.229 1.093 4.909 1.00 0.00 H new ATOM 0 HE2 LYS A 23 0.697 0.598 7.095 1.00 0.00 H new ATOM 0 HE3 LYS A 23 -0.339 -0.790 6.833 1.00 0.00 H new ATOM 0 HZ1 LYS A 23 1.722 -1.525 7.745 1.00 0.00 H new ATOM 0 HZ2 LYS A 23 1.659 -2.045 6.129 1.00 0.00 H new ATOM 0 HZ3 LYS A 23 2.619 -0.710 6.555 1.00 0.00 H new ATOM 377 N MET A 24 -1.984 -3.855 1.546 1.00 0.00 N ATOM 378 CA MET A 24 -3.016 -4.870 1.673 1.00 0.00 C ATOM 379 C MET A 24 -2.469 -6.127 2.352 1.00 0.00 C ATOM 380 O MET A 24 -1.307 -6.483 2.162 1.00 0.00 O ATOM 381 CB MET A 24 -3.551 -5.231 0.285 1.00 0.00 C ATOM 382 CG MET A 24 -4.009 -3.981 -0.468 1.00 0.00 C ATOM 383 SD MET A 24 -3.924 -4.262 -2.228 1.00 0.00 S ATOM 384 CE MET A 24 -4.835 -5.793 -2.342 1.00 0.00 C ATOM 0 H MET A 24 -1.233 -4.089 0.896 1.00 0.00 H new ATOM 0 HA MET A 24 -3.820 -4.468 2.289 1.00 0.00 H new ATOM 0 HB2 MET A 24 -2.775 -5.740 -0.287 1.00 0.00 H new ATOM 0 HB3 MET A 24 -4.384 -5.927 0.382 1.00 0.00 H new ATOM 0 HG2 MET A 24 -5.029 -3.727 -0.181 1.00 0.00 H new ATOM 0 HG3 MET A 24 -3.381 -3.132 -0.196 1.00 0.00 H new ATOM 0 HE1 MET A 24 -5.334 -5.849 -3.310 1.00 0.00 H new ATOM 0 HE2 MET A 24 -4.149 -6.633 -2.239 1.00 0.00 H new ATOM 0 HE3 MET A 24 -5.580 -5.833 -1.547 1.00 0.00 H new ATOM 394 N PHE A 25 -3.330 -6.764 3.130 1.00 0.00 N ATOM 395 CA PHE A 25 -2.948 -7.973 3.838 1.00 0.00 C ATOM 396 C PHE A 25 -4.023 -9.053 3.700 1.00 0.00 C ATOM 397 O PHE A 25 -5.207 -8.785 3.898 1.00 0.00 O ATOM 398 CB PHE A 25 -2.804 -7.600 5.315 1.00 0.00 C ATOM 399 CG PHE A 25 -2.065 -6.282 5.554 1.00 0.00 C ATOM 400 CD1 PHE A 25 -2.629 -5.106 5.169 1.00 0.00 C ATOM 401 CD2 PHE A 25 -0.844 -6.286 6.153 1.00 0.00 C ATOM 402 CE1 PHE A 25 -1.942 -3.884 5.391 1.00 0.00 C ATOM 403 CE2 PHE A 25 -0.158 -5.063 6.376 1.00 0.00 C ATOM 404 CZ PHE A 25 -0.721 -3.888 5.989 1.00 0.00 C ATOM 0 H PHE A 25 -4.293 -6.465 3.286 1.00 0.00 H new ATOM 0 HA PHE A 25 -2.020 -8.368 3.425 1.00 0.00 H new ATOM 0 HB2 PHE A 25 -3.796 -7.534 5.761 1.00 0.00 H new ATOM 0 HB3 PHE A 25 -2.274 -8.401 5.832 1.00 0.00 H new ATOM 0 HD1 PHE A 25 -3.599 -5.102 4.695 1.00 0.00 H new ATOM 0 HD2 PHE A 25 -0.396 -7.220 6.459 1.00 0.00 H new ATOM 0 HE1 PHE A 25 -2.390 -2.950 5.085 1.00 0.00 H new ATOM 0 HE2 PHE A 25 0.811 -5.066 6.853 1.00 0.00 H new ATOM 0 HZ PHE A 25 -0.199 -2.958 6.156 1.00 0.00 H new ATOM 414 N MET A 26 -3.572 -10.252 3.362 1.00 0.00 N ATOM 415 CA MET A 26 -4.481 -11.374 3.195 1.00 0.00 C ATOM 416 C MET A 26 -4.930 -11.923 4.551 1.00 0.00 C ATOM 417 O MET A 26 -4.254 -11.724 5.560 1.00 0.00 O ATOM 418 CB MET A 26 -3.784 -12.482 2.402 1.00 0.00 C ATOM 419 CG MET A 26 -3.481 -12.025 0.973 1.00 0.00 C ATOM 420 SD MET A 26 -2.205 -13.050 0.262 1.00 0.00 S ATOM 421 CE MET A 26 -3.187 -14.443 -0.270 1.00 0.00 C ATOM 0 H MET A 26 -2.589 -10.471 3.199 1.00 0.00 H new ATOM 0 HA MET A 26 -5.362 -11.026 2.655 1.00 0.00 H new ATOM 0 HB2 MET A 26 -2.857 -12.764 2.902 1.00 0.00 H new ATOM 0 HB3 MET A 26 -4.416 -13.370 2.378 1.00 0.00 H new ATOM 0 HG2 MET A 26 -4.384 -12.081 0.365 1.00 0.00 H new ATOM 0 HG3 MET A 26 -3.162 -10.983 0.976 1.00 0.00 H new ATOM 0 HE1 MET A 26 -2.541 -15.185 -0.740 1.00 0.00 H new ATOM 0 HE2 MET A 26 -3.684 -14.888 0.592 1.00 0.00 H new ATOM 0 HE3 MET A 26 -3.936 -14.107 -0.987 1.00 0.00 H new ATOM 431 N MET A 27 -6.066 -12.602 4.532 1.00 0.00 N ATOM 432 CA MET A 27 -6.613 -13.181 5.747 1.00 0.00 C ATOM 433 C MET A 27 -5.674 -14.245 6.319 1.00 0.00 C ATOM 434 O MET A 27 -5.587 -14.413 7.534 1.00 0.00 O ATOM 435 CB MET A 27 -7.974 -13.811 5.445 1.00 0.00 C ATOM 436 CG MET A 27 -9.095 -12.774 5.550 1.00 0.00 C ATOM 437 SD MET A 27 -9.759 -12.759 7.208 1.00 0.00 S ATOM 438 CE MET A 27 -9.887 -10.999 7.474 1.00 0.00 C ATOM 0 H MET A 27 -6.624 -12.765 3.694 1.00 0.00 H new ATOM 0 HA MET A 27 -6.726 -12.388 6.486 1.00 0.00 H new ATOM 0 HB2 MET A 27 -7.965 -14.242 4.444 1.00 0.00 H new ATOM 0 HB3 MET A 27 -8.163 -14.628 6.142 1.00 0.00 H new ATOM 0 HG2 MET A 27 -8.713 -11.786 5.293 1.00 0.00 H new ATOM 0 HG3 MET A 27 -9.885 -13.006 4.835 1.00 0.00 H new ATOM 0 HE1 MET A 27 -10.288 -10.810 8.470 1.00 0.00 H new ATOM 0 HE2 MET A 27 -8.900 -10.545 7.388 1.00 0.00 H new ATOM 0 HE3 MET A 27 -10.552 -10.565 6.727 1.00 0.00 H new ATOM 448 N SER A 28 -4.994 -14.935 5.415 1.00 0.00 N ATOM 449 CA SER A 28 -4.064 -15.977 5.815 1.00 0.00 C ATOM 450 C SER A 28 -2.908 -15.371 6.612 1.00 0.00 C ATOM 451 O SER A 28 -3.025 -15.158 7.818 1.00 0.00 O ATOM 452 CB SER A 28 -3.529 -16.734 4.597 1.00 0.00 C ATOM 453 OG SER A 28 -2.387 -17.523 4.919 1.00 0.00 O ATOM 0 H SER A 28 -5.069 -14.793 4.408 1.00 0.00 H new ATOM 0 HA SER A 28 -4.598 -16.687 6.446 1.00 0.00 H new ATOM 0 HB2 SER A 28 -4.313 -17.377 4.197 1.00 0.00 H new ATOM 0 HB3 SER A 28 -3.269 -16.023 3.813 1.00 0.00 H new ATOM 0 HG SER A 28 -2.076 -17.992 4.116 1.00 0.00 H new ATOM 459 N ASP A 29 -1.817 -15.109 5.907 1.00 0.00 N ATOM 460 CA ASP A 29 -0.641 -14.531 6.533 1.00 0.00 C ATOM 461 C ASP A 29 -0.888 -13.044 6.798 1.00 0.00 C ATOM 462 O ASP A 29 -0.379 -12.188 6.076 1.00 0.00 O ATOM 463 CB ASP A 29 0.584 -14.652 5.625 1.00 0.00 C ATOM 464 CG ASP A 29 1.930 -14.661 6.352 1.00 0.00 C ATOM 465 OD1 ASP A 29 1.904 -14.815 7.592 1.00 0.00 O ATOM 466 OD2 ASP A 29 2.954 -14.514 5.651 1.00 0.00 O ATOM 0 H ASP A 29 -1.723 -15.287 4.907 1.00 0.00 H new ATOM 0 HA ASP A 29 -0.455 -15.070 7.462 1.00 0.00 H new ATOM 0 HB2 ASP A 29 0.497 -15.569 5.043 1.00 0.00 H new ATOM 0 HB3 ASP A 29 0.576 -13.823 4.917 1.00 0.00 H new ATOM 471 N LEU A 30 -1.670 -12.782 7.835 1.00 0.00 N ATOM 472 CA LEU A 30 -1.991 -11.413 8.203 1.00 0.00 C ATOM 473 C LEU A 30 -0.766 -10.764 8.850 1.00 0.00 C ATOM 474 O LEU A 30 -0.743 -9.553 9.066 1.00 0.00 O ATOM 475 CB LEU A 30 -3.243 -11.375 9.080 1.00 0.00 C ATOM 476 CG LEU A 30 -4.576 -11.582 8.357 1.00 0.00 C ATOM 477 CD1 LEU A 30 -5.665 -12.032 9.333 1.00 0.00 C ATOM 478 CD2 LEU A 30 -4.982 -10.326 7.584 1.00 0.00 C ATOM 0 H LEU A 30 -2.091 -13.494 8.432 1.00 0.00 H new ATOM 0 HA LEU A 30 -2.233 -10.826 7.317 1.00 0.00 H new ATOM 0 HB2 LEU A 30 -3.147 -12.141 9.849 1.00 0.00 H new ATOM 0 HB3 LEU A 30 -3.275 -10.413 9.591 1.00 0.00 H new ATOM 0 HG LEU A 30 -4.448 -12.381 7.627 1.00 0.00 H new ATOM 0 HD11 LEU A 30 -6.602 -12.172 8.794 1.00 0.00 H new ATOM 0 HD12 LEU A 30 -5.370 -12.973 9.798 1.00 0.00 H new ATOM 0 HD13 LEU A 30 -5.800 -11.273 10.103 1.00 0.00 H new ATOM 0 HD21 LEU A 30 -5.932 -10.500 7.080 1.00 0.00 H new ATOM 0 HD22 LEU A 30 -5.087 -9.491 8.276 1.00 0.00 H new ATOM 0 HD23 LEU A 30 -4.217 -10.091 6.844 1.00 0.00 H new ATOM 490 N THR A 31 0.222 -11.597 9.141 1.00 0.00 N ATOM 491 CA THR A 31 1.447 -11.119 9.759 1.00 0.00 C ATOM 492 C THR A 31 2.428 -10.629 8.691 1.00 0.00 C ATOM 493 O THR A 31 3.356 -9.881 8.992 1.00 0.00 O ATOM 494 CB THR A 31 2.008 -12.244 10.630 1.00 0.00 C ATOM 495 OG1 THR A 31 1.911 -11.739 11.957 1.00 0.00 O ATOM 496 CG2 THR A 31 3.510 -12.454 10.420 1.00 0.00 C ATOM 0 H THR A 31 0.199 -12.601 8.960 1.00 0.00 H new ATOM 0 HA THR A 31 1.257 -10.258 10.399 1.00 0.00 H new ATOM 0 HB THR A 31 1.477 -13.170 10.411 1.00 0.00 H new ATOM 0 HG1 THR A 31 2.253 -12.407 12.587 1.00 0.00 H new ATOM 0 HG21 THR A 31 3.857 -13.264 11.062 1.00 0.00 H new ATOM 0 HG22 THR A 31 3.699 -12.711 9.378 1.00 0.00 H new ATOM 0 HG23 THR A 31 4.044 -11.538 10.671 1.00 0.00 H new ATOM 504 N ILE A 32 2.187 -11.072 7.466 1.00 0.00 N ATOM 505 CA ILE A 32 3.038 -10.689 6.352 1.00 0.00 C ATOM 506 C ILE A 32 2.162 -10.247 5.177 1.00 0.00 C ATOM 507 O ILE A 32 1.427 -11.053 4.608 1.00 0.00 O ATOM 508 CB ILE A 32 4.009 -11.819 6.005 1.00 0.00 C ATOM 509 CG1 ILE A 32 4.268 -12.712 7.220 1.00 0.00 C ATOM 510 CG2 ILE A 32 5.306 -11.266 5.412 1.00 0.00 C ATOM 511 CD1 ILE A 32 5.265 -13.822 6.883 1.00 0.00 C ATOM 0 H ILE A 32 1.415 -11.692 7.220 1.00 0.00 H new ATOM 0 HA ILE A 32 3.662 -9.838 6.624 1.00 0.00 H new ATOM 0 HB ILE A 32 3.547 -12.443 5.240 1.00 0.00 H new ATOM 0 HG12 ILE A 32 4.653 -12.110 8.043 1.00 0.00 H new ATOM 0 HG13 ILE A 32 3.330 -13.152 7.559 1.00 0.00 H new ATOM 0 HG21 ILE A 32 5.978 -12.091 5.175 1.00 0.00 H new ATOM 0 HG22 ILE A 32 5.082 -10.708 4.503 1.00 0.00 H new ATOM 0 HG23 ILE A 32 5.784 -10.605 6.135 1.00 0.00 H new ATOM 0 HD11 ILE A 32 5.431 -14.442 7.764 1.00 0.00 H new ATOM 0 HD12 ILE A 32 4.866 -14.437 6.077 1.00 0.00 H new ATOM 0 HD13 ILE A 32 6.210 -13.379 6.568 1.00 0.00 H new ATOM 523 N PRO A 33 2.271 -8.968 4.848 1.00 0.00 N ATOM 524 CA PRO A 33 1.476 -8.393 3.716 1.00 0.00 C ATOM 525 C PRO A 33 1.387 -9.155 2.349 1.00 0.00 C ATOM 526 O PRO A 33 2.136 -10.101 2.112 1.00 0.00 O ATOM 527 CB PRO A 33 2.085 -6.980 3.569 1.00 0.00 C ATOM 528 CG PRO A 33 2.650 -6.623 4.945 1.00 0.00 C ATOM 529 CD PRO A 33 3.144 -7.953 5.508 1.00 0.00 C ATOM 0 HA PRO A 33 0.418 -8.447 3.974 1.00 0.00 H new ATOM 0 HB2 PRO A 33 2.868 -6.969 2.810 1.00 0.00 H new ATOM 0 HB3 PRO A 33 1.329 -6.259 3.258 1.00 0.00 H new ATOM 0 HG2 PRO A 33 3.461 -5.899 4.866 1.00 0.00 H new ATOM 0 HG3 PRO A 33 1.887 -6.179 5.585 1.00 0.00 H new ATOM 0 HD2 PRO A 33 4.196 -8.119 5.276 1.00 0.00 H new ATOM 0 HD3 PRO A 33 3.048 -7.988 6.593 1.00 0.00 H new ATOM 537 N VAL A 34 0.466 -8.698 1.512 1.00 0.00 N ATOM 538 CA VAL A 34 0.271 -9.309 0.208 1.00 0.00 C ATOM 539 C VAL A 34 0.561 -8.274 -0.882 1.00 0.00 C ATOM 540 O VAL A 34 1.050 -8.620 -1.956 1.00 0.00 O ATOM 541 CB VAL A 34 -1.137 -9.900 0.112 1.00 0.00 C ATOM 542 CG1 VAL A 34 -2.197 -8.850 0.450 1.00 0.00 C ATOM 543 CG2 VAL A 34 -1.384 -10.505 -1.271 1.00 0.00 C ATOM 0 H VAL A 34 -0.153 -7.912 1.712 1.00 0.00 H new ATOM 0 HA VAL A 34 0.966 -10.136 0.065 1.00 0.00 H new ATOM 0 HB VAL A 34 -1.215 -10.702 0.847 1.00 0.00 H new ATOM 0 HG11 VAL A 34 -3.188 -9.296 0.374 1.00 0.00 H new ATOM 0 HG12 VAL A 34 -2.039 -8.487 1.466 1.00 0.00 H new ATOM 0 HG13 VAL A 34 -2.120 -8.017 -0.249 1.00 0.00 H new ATOM 0 HG21 VAL A 34 -2.392 -10.918 -1.313 1.00 0.00 H new ATOM 0 HG22 VAL A 34 -1.277 -9.731 -2.031 1.00 0.00 H new ATOM 0 HG23 VAL A 34 -0.659 -11.298 -1.456 1.00 0.00 H new ATOM 553 N LYS A 35 0.247 -7.026 -0.567 1.00 0.00 N ATOM 554 CA LYS A 35 0.468 -5.941 -1.507 1.00 0.00 C ATOM 555 C LYS A 35 1.013 -4.725 -0.755 1.00 0.00 C ATOM 556 O LYS A 35 0.617 -4.462 0.379 1.00 0.00 O ATOM 557 CB LYS A 35 -0.809 -5.651 -2.300 1.00 0.00 C ATOM 558 CG LYS A 35 -1.463 -6.948 -2.779 1.00 0.00 C ATOM 559 CD LYS A 35 -0.713 -7.531 -3.979 1.00 0.00 C ATOM 560 CE LYS A 35 -1.233 -8.927 -4.326 1.00 0.00 C ATOM 561 NZ LYS A 35 -1.661 -8.984 -5.742 1.00 0.00 N ATOM 0 H LYS A 35 -0.158 -6.742 0.325 1.00 0.00 H new ATOM 0 HA LYS A 35 1.218 -6.223 -2.246 1.00 0.00 H new ATOM 0 HB2 LYS A 35 -1.510 -5.095 -1.677 1.00 0.00 H new ATOM 0 HB3 LYS A 35 -0.574 -5.020 -3.157 1.00 0.00 H new ATOM 0 HG2 LYS A 35 -1.476 -7.674 -1.966 1.00 0.00 H new ATOM 0 HG3 LYS A 35 -2.501 -6.757 -3.052 1.00 0.00 H new ATOM 0 HD2 LYS A 35 -0.828 -6.872 -4.839 1.00 0.00 H new ATOM 0 HD3 LYS A 35 0.353 -7.581 -3.757 1.00 0.00 H new ATOM 0 HE2 LYS A 35 -0.453 -9.667 -4.146 1.00 0.00 H new ATOM 0 HE3 LYS A 35 -2.070 -9.181 -3.676 1.00 0.00 H new ATOM 0 HZ1 LYS A 35 -2.011 -9.939 -5.961 1.00 0.00 H new ATOM 0 HZ2 LYS A 35 -2.420 -8.291 -5.903 1.00 0.00 H new ATOM 0 HZ3 LYS A 35 -0.853 -8.762 -6.358 1.00 0.00 H new ATOM 575 N ARG A 36 1.914 -4.014 -1.418 1.00 0.00 N ATOM 576 CA ARG A 36 2.518 -2.832 -0.826 1.00 0.00 C ATOM 577 C ARG A 36 2.979 -1.868 -1.921 1.00 0.00 C ATOM 578 O ARG A 36 3.911 -2.168 -2.666 1.00 0.00 O ATOM 579 CB ARG A 36 3.714 -3.206 0.051 1.00 0.00 C ATOM 580 CG ARG A 36 3.296 -3.349 1.516 1.00 0.00 C ATOM 581 CD ARG A 36 4.519 -3.406 2.432 1.00 0.00 C ATOM 582 NE ARG A 36 4.143 -3.000 3.805 1.00 0.00 N ATOM 583 CZ ARG A 36 5.017 -2.579 4.729 1.00 0.00 C ATOM 584 NH1 ARG A 36 6.322 -2.505 4.434 1.00 0.00 N ATOM 585 NH2 ARG A 36 4.586 -2.229 5.949 1.00 0.00 N ATOM 0 H ARG A 36 2.240 -4.234 -2.359 1.00 0.00 H new ATOM 0 HA ARG A 36 1.764 -2.349 -0.205 1.00 0.00 H new ATOM 0 HB2 ARG A 36 4.148 -4.142 -0.300 1.00 0.00 H new ATOM 0 HB3 ARG A 36 4.487 -2.443 -0.037 1.00 0.00 H new ATOM 0 HG2 ARG A 36 2.663 -2.509 1.801 1.00 0.00 H new ATOM 0 HG3 ARG A 36 2.701 -4.254 1.641 1.00 0.00 H new ATOM 0 HD2 ARG A 36 4.929 -4.416 2.442 1.00 0.00 H new ATOM 0 HD3 ARG A 36 5.300 -2.748 2.051 1.00 0.00 H new ATOM 0 HE ARG A 36 3.157 -3.043 4.064 1.00 0.00 H new ATOM 0 HH11 ARG A 36 6.651 -2.769 3.505 1.00 0.00 H new ATOM 0 HH12 ARG A 36 6.987 -2.184 5.138 1.00 0.00 H new ATOM 0 HH21 ARG A 36 3.593 -2.283 6.174 1.00 0.00 H new ATOM 0 HH22 ARG A 36 5.251 -1.909 6.652 1.00 0.00 H new ATOM 599 N GLY A 37 2.304 -0.729 -1.984 1.00 0.00 N ATOM 600 CA GLY A 37 2.633 0.281 -2.975 1.00 0.00 C ATOM 601 C GLY A 37 1.976 1.621 -2.632 1.00 0.00 C ATOM 602 O GLY A 37 1.736 1.916 -1.462 1.00 0.00 O ATOM 0 H GLY A 37 1.531 -0.484 -1.365 1.00 0.00 H new ATOM 0 HA2 GLY A 37 3.715 0.405 -3.028 1.00 0.00 H new ATOM 0 HA3 GLY A 37 2.302 -0.049 -3.960 1.00 0.00 H new ATOM 606 N CYS A 38 1.704 2.394 -3.672 1.00 0.00 N ATOM 607 CA CYS A 38 1.080 3.694 -3.496 1.00 0.00 C ATOM 608 C CYS A 38 -0.210 3.724 -4.317 1.00 0.00 C ATOM 609 O CYS A 38 -0.358 2.965 -5.274 1.00 0.00 O ATOM 610 CB CYS A 38 2.027 4.833 -3.880 1.00 0.00 C ATOM 611 SG CYS A 38 3.738 4.653 -3.255 1.00 0.00 S ATOM 0 H CYS A 38 1.904 2.145 -4.641 1.00 0.00 H new ATOM 0 HA CYS A 38 0.843 3.846 -2.443 1.00 0.00 H new ATOM 0 HB2 CYS A 38 2.058 4.910 -4.967 1.00 0.00 H new ATOM 0 HB3 CYS A 38 1.615 5.770 -3.506 1.00 0.00 H new ATOM 616 N ILE A 39 -1.111 4.607 -3.915 1.00 0.00 N ATOM 617 CA ILE A 39 -2.384 4.745 -4.602 1.00 0.00 C ATOM 618 C ILE A 39 -2.865 6.193 -4.490 1.00 0.00 C ATOM 619 O ILE A 39 -2.245 7.005 -3.805 1.00 0.00 O ATOM 620 CB ILE A 39 -3.391 3.720 -4.075 1.00 0.00 C ATOM 621 CG1 ILE A 39 -4.422 3.365 -5.148 1.00 0.00 C ATOM 622 CG2 ILE A 39 -4.051 4.212 -2.786 1.00 0.00 C ATOM 623 CD1 ILE A 39 -4.686 1.857 -5.177 1.00 0.00 C ATOM 0 H ILE A 39 -0.985 5.235 -3.121 1.00 0.00 H new ATOM 0 HA ILE A 39 -2.269 4.528 -5.664 1.00 0.00 H new ATOM 0 HB ILE A 39 -2.852 2.805 -3.830 1.00 0.00 H new ATOM 0 HG12 ILE A 39 -5.353 3.897 -4.953 1.00 0.00 H new ATOM 0 HG13 ILE A 39 -4.065 3.694 -6.124 1.00 0.00 H new ATOM 0 HG21 ILE A 39 -4.762 3.465 -2.433 1.00 0.00 H new ATOM 0 HG22 ILE A 39 -3.287 4.374 -2.025 1.00 0.00 H new ATOM 0 HG23 ILE A 39 -4.575 5.148 -2.980 1.00 0.00 H new ATOM 0 HD11 ILE A 39 -5.422 1.631 -5.948 1.00 0.00 H new ATOM 0 HD12 ILE A 39 -3.758 1.329 -5.396 1.00 0.00 H new ATOM 0 HD13 ILE A 39 -5.066 1.535 -4.207 1.00 0.00 H new ATOM 635 N ASP A 40 -3.965 6.473 -5.173 1.00 0.00 N ATOM 636 CA ASP A 40 -4.536 7.808 -5.159 1.00 0.00 C ATOM 637 C ASP A 40 -5.720 7.842 -4.190 1.00 0.00 C ATOM 638 O ASP A 40 -5.779 8.694 -3.306 1.00 0.00 O ATOM 639 CB ASP A 40 -5.048 8.203 -6.546 1.00 0.00 C ATOM 640 CG ASP A 40 -5.907 7.147 -7.243 1.00 0.00 C ATOM 641 OD1 ASP A 40 -5.623 5.949 -7.024 1.00 0.00 O ATOM 642 OD2 ASP A 40 -6.828 7.561 -7.980 1.00 0.00 O ATOM 0 H ASP A 40 -4.476 5.797 -5.740 1.00 0.00 H new ATOM 0 HA ASP A 40 -3.756 8.505 -4.851 1.00 0.00 H new ATOM 0 HB2 ASP A 40 -5.630 9.120 -6.454 1.00 0.00 H new ATOM 0 HB3 ASP A 40 -4.192 8.431 -7.181 1.00 0.00 H new ATOM 647 N VAL A 41 -6.635 6.905 -4.392 1.00 0.00 N ATOM 648 CA VAL A 41 -7.814 6.817 -3.548 1.00 0.00 C ATOM 649 C VAL A 41 -7.695 5.591 -2.639 1.00 0.00 C ATOM 650 O VAL A 41 -7.071 4.597 -3.009 1.00 0.00 O ATOM 651 CB VAL A 41 -9.076 6.798 -4.413 1.00 0.00 C ATOM 652 CG1 VAL A 41 -10.220 7.551 -3.730 1.00 0.00 C ATOM 653 CG2 VAL A 41 -8.796 7.371 -5.804 1.00 0.00 C ATOM 0 H VAL A 41 -6.583 6.200 -5.128 1.00 0.00 H new ATOM 0 HA VAL A 41 -7.889 7.694 -2.905 1.00 0.00 H new ATOM 0 HB VAL A 41 -9.384 5.759 -4.534 1.00 0.00 H new ATOM 0 HG11 VAL A 41 -11.105 7.522 -4.366 1.00 0.00 H new ATOM 0 HG12 VAL A 41 -10.445 7.080 -2.773 1.00 0.00 H new ATOM 0 HG13 VAL A 41 -9.926 8.587 -3.564 1.00 0.00 H new ATOM 0 HG21 VAL A 41 -9.709 7.346 -6.398 1.00 0.00 H new ATOM 0 HG22 VAL A 41 -8.452 8.401 -5.711 1.00 0.00 H new ATOM 0 HG23 VAL A 41 -8.027 6.775 -6.295 1.00 0.00 H new ATOM 663 N CYS A 42 -8.302 5.702 -1.467 1.00 0.00 N ATOM 664 CA CYS A 42 -8.271 4.617 -0.502 1.00 0.00 C ATOM 665 C CYS A 42 -9.245 3.532 -0.970 1.00 0.00 C ATOM 666 O CYS A 42 -10.448 3.770 -1.062 1.00 0.00 O ATOM 667 CB CYS A 42 -8.598 5.106 0.910 1.00 0.00 C ATOM 668 SG CYS A 42 -7.774 4.176 2.254 1.00 0.00 S ATOM 0 H CYS A 42 -8.819 6.528 -1.164 1.00 0.00 H new ATOM 0 HA CYS A 42 -7.264 4.203 -0.448 1.00 0.00 H new ATOM 0 HB2 CYS A 42 -8.318 6.156 0.990 1.00 0.00 H new ATOM 0 HB3 CYS A 42 -9.677 5.051 1.058 1.00 0.00 H new ATOM 673 N PRO A 43 -8.687 2.364 -1.252 1.00 0.00 N ATOM 674 CA PRO A 43 -9.514 1.207 -1.722 1.00 0.00 C ATOM 675 C PRO A 43 -10.482 0.477 -0.728 1.00 0.00 C ATOM 676 O PRO A 43 -10.226 0.437 0.475 1.00 0.00 O ATOM 677 CB PRO A 43 -8.448 0.258 -2.317 1.00 0.00 C ATOM 678 CG PRO A 43 -7.146 1.060 -2.350 1.00 0.00 C ATOM 679 CD PRO A 43 -7.260 2.014 -1.164 1.00 0.00 C ATOM 0 HA PRO A 43 -10.274 1.581 -2.408 1.00 0.00 H new ATOM 0 HB2 PRO A 43 -8.339 -0.639 -1.707 1.00 0.00 H new ATOM 0 HB3 PRO A 43 -8.731 -0.069 -3.317 1.00 0.00 H new ATOM 0 HG2 PRO A 43 -6.276 0.410 -2.255 1.00 0.00 H new ATOM 0 HG3 PRO A 43 -7.037 1.603 -3.289 1.00 0.00 H new ATOM 0 HD2 PRO A 43 -7.006 1.535 -0.218 1.00 0.00 H new ATOM 0 HD3 PRO A 43 -6.611 2.884 -1.265 1.00 0.00 H new ATOM 687 N LYS A 44 -11.551 -0.068 -1.286 1.00 0.00 N ATOM 688 CA LYS A 44 -12.535 -0.778 -0.485 1.00 0.00 C ATOM 689 C LYS A 44 -11.930 -2.094 0.010 1.00 0.00 C ATOM 690 O LYS A 44 -11.312 -2.824 -0.761 1.00 0.00 O ATOM 691 CB LYS A 44 -13.837 -0.956 -1.269 1.00 0.00 C ATOM 692 CG LYS A 44 -14.272 0.360 -1.918 1.00 0.00 C ATOM 693 CD LYS A 44 -15.676 0.758 -1.462 1.00 0.00 C ATOM 694 CE LYS A 44 -15.699 2.201 -0.952 1.00 0.00 C ATOM 695 NZ LYS A 44 -16.578 2.317 0.233 1.00 0.00 N ATOM 0 H LYS A 44 -11.759 -0.033 -2.284 1.00 0.00 H new ATOM 0 HA LYS A 44 -12.799 -0.196 0.398 1.00 0.00 H new ATOM 0 HB2 LYS A 44 -13.702 -1.717 -2.038 1.00 0.00 H new ATOM 0 HB3 LYS A 44 -14.621 -1.313 -0.602 1.00 0.00 H new ATOM 0 HG2 LYS A 44 -13.565 1.148 -1.660 1.00 0.00 H new ATOM 0 HG3 LYS A 44 -14.253 0.258 -3.003 1.00 0.00 H new ATOM 0 HD2 LYS A 44 -16.376 0.650 -2.291 1.00 0.00 H new ATOM 0 HD3 LYS A 44 -16.011 0.084 -0.673 1.00 0.00 H new ATOM 0 HE2 LYS A 44 -14.688 2.518 -0.695 1.00 0.00 H new ATOM 0 HE3 LYS A 44 -16.051 2.866 -1.740 1.00 0.00 H new ATOM 0 HZ1 LYS A 44 -16.583 3.302 0.567 1.00 0.00 H new ATOM 0 HZ2 LYS A 44 -17.545 2.034 -0.023 1.00 0.00 H new ATOM 0 HZ3 LYS A 44 -16.225 1.697 0.989 1.00 0.00 H new ATOM 709 N ASN A 45 -12.130 -2.353 1.294 1.00 0.00 N ATOM 710 CA ASN A 45 -11.613 -3.567 1.901 1.00 0.00 C ATOM 711 C ASN A 45 -12.609 -4.707 1.682 1.00 0.00 C ATOM 712 O ASN A 45 -13.805 -4.468 1.526 1.00 0.00 O ATOM 713 CB ASN A 45 -11.419 -3.390 3.408 1.00 0.00 C ATOM 714 CG ASN A 45 -10.911 -1.985 3.734 1.00 0.00 C ATOM 715 OD1 ASN A 45 -9.730 -1.689 3.658 1.00 0.00 O ATOM 716 ND2 ASN A 45 -11.867 -1.137 4.104 1.00 0.00 N ATOM 0 H ASN A 45 -12.643 -1.743 1.930 1.00 0.00 H new ATOM 0 HA ASN A 45 -10.652 -3.792 1.438 1.00 0.00 H new ATOM 0 HB2 ASN A 45 -12.363 -3.568 3.923 1.00 0.00 H new ATOM 0 HB3 ASN A 45 -10.710 -4.131 3.777 1.00 0.00 H new ATOM 0 HD21 ASN A 45 -11.630 -0.175 4.345 1.00 0.00 H new ATOM 0 HD22 ASN A 45 -12.837 -1.449 4.147 1.00 0.00 H new ATOM 723 N SER A 46 -12.080 -5.921 1.677 1.00 0.00 N ATOM 724 CA SER A 46 -12.908 -7.099 1.480 1.00 0.00 C ATOM 725 C SER A 46 -12.772 -8.040 2.678 1.00 0.00 C ATOM 726 O SER A 46 -11.967 -7.797 3.576 1.00 0.00 O ATOM 727 CB SER A 46 -12.532 -7.826 0.188 1.00 0.00 C ATOM 728 OG SER A 46 -11.156 -8.197 0.164 1.00 0.00 O ATOM 0 H SER A 46 -11.087 -6.115 1.806 1.00 0.00 H new ATOM 0 HA SER A 46 -13.946 -6.778 1.395 1.00 0.00 H new ATOM 0 HB2 SER A 46 -13.150 -8.718 0.081 1.00 0.00 H new ATOM 0 HB3 SER A 46 -12.749 -7.184 -0.666 1.00 0.00 H new ATOM 0 HG SER A 46 -10.957 -8.660 -0.676 1.00 0.00 H new ATOM 734 N LEU A 47 -13.572 -9.096 2.654 1.00 0.00 N ATOM 735 CA LEU A 47 -13.552 -10.076 3.727 1.00 0.00 C ATOM 736 C LEU A 47 -12.424 -11.079 3.475 1.00 0.00 C ATOM 737 O LEU A 47 -12.289 -12.062 4.202 1.00 0.00 O ATOM 738 CB LEU A 47 -14.927 -10.725 3.887 1.00 0.00 C ATOM 739 CG LEU A 47 -16.049 -9.808 4.379 1.00 0.00 C ATOM 740 CD1 LEU A 47 -17.421 -10.444 4.144 1.00 0.00 C ATOM 741 CD2 LEU A 47 -15.838 -9.425 5.846 1.00 0.00 C ATOM 0 H LEU A 47 -14.239 -9.295 1.908 1.00 0.00 H new ATOM 0 HA LEU A 47 -13.342 -9.592 4.681 1.00 0.00 H new ATOM 0 HB2 LEU A 47 -15.223 -11.144 2.925 1.00 0.00 H new ATOM 0 HB3 LEU A 47 -14.834 -11.559 4.583 1.00 0.00 H new ATOM 0 HG LEU A 47 -16.018 -8.887 3.797 1.00 0.00 H new ATOM 0 HD11 LEU A 47 -18.200 -9.771 4.503 1.00 0.00 H new ATOM 0 HD12 LEU A 47 -17.560 -10.625 3.078 1.00 0.00 H new ATOM 0 HD13 LEU A 47 -17.481 -11.389 4.683 1.00 0.00 H new ATOM 0 HD21 LEU A 47 -16.648 -8.773 6.172 1.00 0.00 H new ATOM 0 HD22 LEU A 47 -15.828 -10.326 6.459 1.00 0.00 H new ATOM 0 HD23 LEU A 47 -14.887 -8.903 5.953 1.00 0.00 H new ATOM 753 N LEU A 48 -11.643 -10.794 2.444 1.00 0.00 N ATOM 754 CA LEU A 48 -10.531 -11.659 2.086 1.00 0.00 C ATOM 755 C LEU A 48 -9.217 -10.975 2.466 1.00 0.00 C ATOM 756 O LEU A 48 -8.373 -11.571 3.135 1.00 0.00 O ATOM 757 CB LEU A 48 -10.614 -12.058 0.611 1.00 0.00 C ATOM 758 CG LEU A 48 -11.939 -12.672 0.156 1.00 0.00 C ATOM 759 CD1 LEU A 48 -12.516 -11.910 -1.038 1.00 0.00 C ATOM 760 CD2 LEU A 48 -11.778 -14.165 -0.140 1.00 0.00 C ATOM 0 H LEU A 48 -11.758 -9.977 1.845 1.00 0.00 H new ATOM 0 HA LEU A 48 -10.579 -12.593 2.646 1.00 0.00 H new ATOM 0 HB2 LEU A 48 -10.419 -11.174 0.004 1.00 0.00 H new ATOM 0 HB3 LEU A 48 -9.816 -12.770 0.402 1.00 0.00 H new ATOM 0 HG LEU A 48 -12.656 -12.581 0.972 1.00 0.00 H new ATOM 0 HD11 LEU A 48 -13.458 -12.368 -1.341 1.00 0.00 H new ATOM 0 HD12 LEU A 48 -12.691 -10.872 -0.757 1.00 0.00 H new ATOM 0 HD13 LEU A 48 -11.811 -11.947 -1.868 1.00 0.00 H new ATOM 0 HD21 LEU A 48 -12.734 -14.577 -0.461 1.00 0.00 H new ATOM 0 HD22 LEU A 48 -11.040 -14.302 -0.930 1.00 0.00 H new ATOM 0 HD23 LEU A 48 -11.445 -14.681 0.761 1.00 0.00 H new ATOM 772 N VAL A 49 -9.082 -9.734 2.022 1.00 0.00 N ATOM 773 CA VAL A 49 -7.884 -8.962 2.307 1.00 0.00 C ATOM 774 C VAL A 49 -8.284 -7.596 2.866 1.00 0.00 C ATOM 775 O VAL A 49 -9.352 -7.077 2.543 1.00 0.00 O ATOM 776 CB VAL A 49 -7.015 -8.864 1.052 1.00 0.00 C ATOM 777 CG1 VAL A 49 -6.931 -10.213 0.335 1.00 0.00 C ATOM 778 CG2 VAL A 49 -7.533 -7.775 0.110 1.00 0.00 C ATOM 0 H VAL A 49 -9.783 -9.244 1.467 1.00 0.00 H new ATOM 0 HA VAL A 49 -7.280 -9.459 3.066 1.00 0.00 H new ATOM 0 HB VAL A 49 -6.008 -8.587 1.364 1.00 0.00 H new ATOM 0 HG11 VAL A 49 -6.307 -10.115 -0.553 1.00 0.00 H new ATOM 0 HG12 VAL A 49 -6.495 -10.954 1.004 1.00 0.00 H new ATOM 0 HG13 VAL A 49 -7.931 -10.533 0.043 1.00 0.00 H new ATOM 0 HG21 VAL A 49 -6.897 -7.726 -0.774 1.00 0.00 H new ATOM 0 HG22 VAL A 49 -8.554 -8.009 -0.190 1.00 0.00 H new ATOM 0 HG23 VAL A 49 -7.517 -6.813 0.622 1.00 0.00 H new ATOM 788 N LYS A 50 -7.406 -7.051 3.695 1.00 0.00 N ATOM 789 CA LYS A 50 -7.654 -5.755 4.302 1.00 0.00 C ATOM 790 C LYS A 50 -6.698 -4.723 3.699 1.00 0.00 C ATOM 791 O LYS A 50 -5.503 -4.981 3.566 1.00 0.00 O ATOM 792 CB LYS A 50 -7.569 -5.853 5.827 1.00 0.00 C ATOM 793 CG LYS A 50 -7.825 -4.492 6.479 1.00 0.00 C ATOM 794 CD LYS A 50 -8.397 -4.657 7.887 1.00 0.00 C ATOM 795 CE LYS A 50 -8.082 -3.437 8.754 1.00 0.00 C ATOM 796 NZ LYS A 50 -7.861 -3.843 10.160 1.00 0.00 N ATOM 0 H LYS A 50 -6.521 -7.484 3.961 1.00 0.00 H new ATOM 0 HA LYS A 50 -8.667 -5.419 4.082 1.00 0.00 H new ATOM 0 HB2 LYS A 50 -8.299 -6.577 6.190 1.00 0.00 H new ATOM 0 HB3 LYS A 50 -6.584 -6.220 6.117 1.00 0.00 H new ATOM 0 HG2 LYS A 50 -6.895 -3.926 6.525 1.00 0.00 H new ATOM 0 HG3 LYS A 50 -8.518 -3.916 5.866 1.00 0.00 H new ATOM 0 HD2 LYS A 50 -9.476 -4.798 7.830 1.00 0.00 H new ATOM 0 HD3 LYS A 50 -7.982 -5.553 8.349 1.00 0.00 H new ATOM 0 HE2 LYS A 50 -7.195 -2.931 8.372 1.00 0.00 H new ATOM 0 HE3 LYS A 50 -8.904 -2.723 8.700 1.00 0.00 H new ATOM 0 HZ1 LYS A 50 -7.648 -3.003 10.735 1.00 0.00 H new ATOM 0 HZ2 LYS A 50 -8.717 -4.305 10.527 1.00 0.00 H new ATOM 0 HZ3 LYS A 50 -7.062 -4.507 10.208 1.00 0.00 H new ATOM 810 N TYR A 51 -7.261 -3.576 3.349 1.00 0.00 N ATOM 811 CA TYR A 51 -6.475 -2.504 2.762 1.00 0.00 C ATOM 812 C TYR A 51 -6.231 -1.385 3.777 1.00 0.00 C ATOM 813 O TYR A 51 -7.125 -1.031 4.543 1.00 0.00 O ATOM 814 CB TYR A 51 -7.310 -1.953 1.605 1.00 0.00 C ATOM 815 CG TYR A 51 -7.594 -2.973 0.501 1.00 0.00 C ATOM 816 CD1 TYR A 51 -8.361 -4.089 0.772 1.00 0.00 C ATOM 817 CD2 TYR A 51 -7.083 -2.780 -0.766 1.00 0.00 C ATOM 818 CE1 TYR A 51 -8.628 -5.049 -0.266 1.00 0.00 C ATOM 819 CE2 TYR A 51 -7.350 -3.740 -1.805 1.00 0.00 C ATOM 820 CZ TYR A 51 -8.110 -4.828 -1.504 1.00 0.00 C ATOM 821 OH TYR A 51 -8.362 -5.735 -2.485 1.00 0.00 O ATOM 0 H TYR A 51 -8.253 -3.365 3.461 1.00 0.00 H new ATOM 0 HA TYR A 51 -5.503 -2.875 2.436 1.00 0.00 H new ATOM 0 HB2 TYR A 51 -8.258 -1.585 1.998 1.00 0.00 H new ATOM 0 HB3 TYR A 51 -6.791 -1.098 1.171 1.00 0.00 H new ATOM 0 HD1 TYR A 51 -8.761 -4.241 1.764 1.00 0.00 H new ATOM 0 HD2 TYR A 51 -6.482 -1.908 -0.978 1.00 0.00 H new ATOM 0 HE1 TYR A 51 -9.226 -5.926 -0.066 1.00 0.00 H new ATOM 0 HE2 TYR A 51 -6.956 -3.600 -2.801 1.00 0.00 H new ATOM 0 HH TYR A 51 -7.930 -5.447 -3.316 1.00 0.00 H new ATOM 831 N VAL A 52 -5.014 -0.860 3.749 1.00 0.00 N ATOM 832 CA VAL A 52 -4.642 0.211 4.657 1.00 0.00 C ATOM 833 C VAL A 52 -3.899 1.299 3.878 1.00 0.00 C ATOM 834 O VAL A 52 -2.991 1.002 3.103 1.00 0.00 O ATOM 835 CB VAL A 52 -3.825 -0.352 5.823 1.00 0.00 C ATOM 836 CG1 VAL A 52 -2.922 0.724 6.429 1.00 0.00 C ATOM 837 CG2 VAL A 52 -4.738 -0.964 6.887 1.00 0.00 C ATOM 0 H VAL A 52 -4.274 -1.156 3.112 1.00 0.00 H new ATOM 0 HA VAL A 52 -5.530 0.670 5.091 1.00 0.00 H new ATOM 0 HB VAL A 52 -3.187 -1.145 5.433 1.00 0.00 H new ATOM 0 HG11 VAL A 52 -2.353 0.298 7.255 1.00 0.00 H new ATOM 0 HG12 VAL A 52 -2.235 1.094 5.668 1.00 0.00 H new ATOM 0 HG13 VAL A 52 -3.534 1.548 6.797 1.00 0.00 H new ATOM 0 HG21 VAL A 52 -4.132 -1.357 7.704 1.00 0.00 H new ATOM 0 HG22 VAL A 52 -5.413 -0.199 7.271 1.00 0.00 H new ATOM 0 HG23 VAL A 52 -5.320 -1.773 6.445 1.00 0.00 H new ATOM 847 N CYS A 53 -4.314 2.535 4.111 1.00 0.00 N ATOM 848 CA CYS A 53 -3.700 3.669 3.440 1.00 0.00 C ATOM 849 C CYS A 53 -2.811 4.400 4.448 1.00 0.00 C ATOM 850 O CYS A 53 -2.971 4.235 5.656 1.00 0.00 O ATOM 851 CB CYS A 53 -4.748 4.597 2.824 1.00 0.00 C ATOM 852 SG CYS A 53 -5.910 3.784 1.667 1.00 0.00 S ATOM 0 H CYS A 53 -5.068 2.777 4.755 1.00 0.00 H new ATOM 0 HA CYS A 53 -3.090 3.316 2.608 1.00 0.00 H new ATOM 0 HB2 CYS A 53 -5.321 5.058 3.628 1.00 0.00 H new ATOM 0 HB3 CYS A 53 -4.235 5.401 2.296 1.00 0.00 H new ATOM 857 N CYS A 54 -1.895 5.194 3.914 1.00 0.00 N ATOM 858 CA CYS A 54 -0.981 5.951 4.753 1.00 0.00 C ATOM 859 C CYS A 54 -0.386 7.084 3.913 1.00 0.00 C ATOM 860 O CYS A 54 -0.061 6.890 2.744 1.00 0.00 O ATOM 861 CB CYS A 54 0.105 5.057 5.356 1.00 0.00 C ATOM 862 SG CYS A 54 0.858 3.868 4.187 1.00 0.00 S ATOM 0 H CYS A 54 -1.766 5.330 2.911 1.00 0.00 H new ATOM 0 HA CYS A 54 -1.524 6.373 5.599 1.00 0.00 H new ATOM 0 HB2 CYS A 54 0.892 5.691 5.765 1.00 0.00 H new ATOM 0 HB3 CYS A 54 -0.323 4.502 6.191 1.00 0.00 H new ATOM 867 N ASN A 55 -0.262 8.242 4.545 1.00 0.00 N ATOM 868 CA ASN A 55 0.288 9.406 3.871 1.00 0.00 C ATOM 869 C ASN A 55 1.719 9.641 4.356 1.00 0.00 C ATOM 870 O ASN A 55 2.330 10.657 4.027 1.00 0.00 O ATOM 871 CB ASN A 55 -0.530 10.662 4.186 1.00 0.00 C ATOM 872 CG ASN A 55 -1.113 10.596 5.599 1.00 0.00 C ATOM 873 OD1 ASN A 55 -2.314 10.652 5.806 1.00 0.00 O ATOM 874 ND2 ASN A 55 -0.197 10.476 6.557 1.00 0.00 N ATOM 0 H ASN A 55 -0.533 8.399 5.516 1.00 0.00 H new ATOM 0 HA ASN A 55 0.263 9.218 2.798 1.00 0.00 H new ATOM 0 HB2 ASN A 55 0.102 11.545 4.090 1.00 0.00 H new ATOM 0 HB3 ASN A 55 -1.337 10.767 3.460 1.00 0.00 H new ATOM 0 HD21 ASN A 55 -0.485 10.425 7.534 1.00 0.00 H new ATOM 0 HD22 ASN A 55 0.793 10.435 6.314 1.00 0.00 H new ATOM 881 N THR A 56 2.213 8.685 5.128 1.00 0.00 N ATOM 882 CA THR A 56 3.563 8.775 5.661 1.00 0.00 C ATOM 883 C THR A 56 4.546 8.041 4.748 1.00 0.00 C ATOM 884 O THR A 56 4.139 7.245 3.903 1.00 0.00 O ATOM 885 CB THR A 56 3.543 8.236 7.092 1.00 0.00 C ATOM 886 OG1 THR A 56 2.873 6.983 6.982 1.00 0.00 O ATOM 887 CG2 THR A 56 2.644 9.060 8.016 1.00 0.00 C ATOM 0 H THR A 56 1.703 7.844 5.398 1.00 0.00 H new ATOM 0 HA THR A 56 3.908 9.808 5.693 1.00 0.00 H new ATOM 0 HB THR A 56 4.558 8.225 7.489 1.00 0.00 H new ATOM 0 HG1 THR A 56 2.817 6.563 7.866 1.00 0.00 H new ATOM 0 HG21 THR A 56 2.666 8.634 9.019 1.00 0.00 H new ATOM 0 HG22 THR A 56 3.003 10.089 8.050 1.00 0.00 H new ATOM 0 HG23 THR A 56 1.622 9.045 7.638 1.00 0.00 H new ATOM 895 N ASP A 57 5.823 8.334 4.949 1.00 0.00 N ATOM 896 CA ASP A 57 6.867 7.712 4.154 1.00 0.00 C ATOM 897 C ASP A 57 7.229 6.357 4.766 1.00 0.00 C ATOM 898 O ASP A 57 6.979 6.119 5.947 1.00 0.00 O ATOM 899 CB ASP A 57 8.131 8.574 4.134 1.00 0.00 C ATOM 900 CG ASP A 57 7.891 10.078 4.278 1.00 0.00 C ATOM 901 OD1 ASP A 57 7.079 10.601 3.484 1.00 0.00 O ATOM 902 OD2 ASP A 57 8.525 10.671 5.178 1.00 0.00 O ATOM 0 H ASP A 57 6.157 8.994 5.651 1.00 0.00 H new ATOM 0 HA ASP A 57 6.493 7.596 3.137 1.00 0.00 H new ATOM 0 HB2 ASP A 57 8.788 8.247 4.940 1.00 0.00 H new ATOM 0 HB3 ASP A 57 8.661 8.394 3.198 1.00 0.00 H new ATOM 907 N ARG A 58 7.811 5.504 3.936 1.00 0.00 N ATOM 908 CA ARG A 58 8.209 4.180 4.381 1.00 0.00 C ATOM 909 C ARG A 58 7.155 3.597 5.324 1.00 0.00 C ATOM 910 O ARG A 58 7.492 2.962 6.322 1.00 0.00 O ATOM 911 CB ARG A 58 9.559 4.223 5.101 1.00 0.00 C ATOM 912 CG ARG A 58 10.685 4.590 4.132 1.00 0.00 C ATOM 913 CD ARG A 58 11.771 5.406 4.838 1.00 0.00 C ATOM 914 NE ARG A 58 12.645 4.510 5.628 1.00 0.00 N ATOM 915 CZ ARG A 58 13.514 4.935 6.554 1.00 0.00 C ATOM 916 NH1 ARG A 58 13.632 6.244 6.812 1.00 0.00 N ATOM 917 NH2 ARG A 58 14.267 4.049 7.222 1.00 0.00 N ATOM 0 H ARG A 58 8.016 5.704 2.957 1.00 0.00 H new ATOM 0 HA ARG A 58 8.301 3.548 3.498 1.00 0.00 H new ATOM 0 HB2 ARG A 58 9.520 4.951 5.911 1.00 0.00 H new ATOM 0 HB3 ARG A 58 9.765 3.253 5.553 1.00 0.00 H new ATOM 0 HG2 ARG A 58 11.121 3.682 3.714 1.00 0.00 H new ATOM 0 HG3 ARG A 58 10.280 5.162 3.298 1.00 0.00 H new ATOM 0 HD2 ARG A 58 12.364 5.950 4.103 1.00 0.00 H new ATOM 0 HD3 ARG A 58 11.313 6.149 5.491 1.00 0.00 H new ATOM 0 HE ARG A 58 12.581 3.507 5.456 1.00 0.00 H new ATOM 0 HH11 ARG A 58 13.060 6.918 6.303 1.00 0.00 H new ATOM 0 HH12 ARG A 58 14.294 6.567 7.517 1.00 0.00 H new ATOM 0 HH21 ARG A 58 14.178 3.052 7.025 1.00 0.00 H new ATOM 0 HH22 ARG A 58 14.929 4.372 7.927 1.00 0.00 H new ATOM 931 N CYS A 59 5.899 3.834 4.974 1.00 0.00 N ATOM 932 CA CYS A 59 4.793 3.341 5.777 1.00 0.00 C ATOM 933 C CYS A 59 4.489 1.905 5.345 1.00 0.00 C ATOM 934 O CYS A 59 4.334 1.020 6.184 1.00 0.00 O ATOM 935 CB CYS A 59 3.563 4.245 5.662 1.00 0.00 C ATOM 936 SG CYS A 59 2.799 4.292 4.000 1.00 0.00 S ATOM 0 H CYS A 59 5.623 4.361 4.145 1.00 0.00 H new ATOM 0 HA CYS A 59 5.072 3.351 6.831 1.00 0.00 H new ATOM 0 HB2 CYS A 59 2.815 3.911 6.381 1.00 0.00 H new ATOM 0 HB3 CYS A 59 3.847 5.259 5.945 1.00 0.00 H new ATOM 941 N ASN A 60 4.411 1.720 4.036 1.00 0.00 N ATOM 942 CA ASN A 60 4.127 0.407 3.481 1.00 0.00 C ATOM 943 C ASN A 60 5.392 -0.149 2.823 1.00 0.00 C ATOM 944 O ASN A 60 6.132 0.589 2.174 1.00 0.00 O ATOM 945 CB ASN A 60 3.034 0.484 2.414 1.00 0.00 C ATOM 946 CG ASN A 60 3.532 1.223 1.171 1.00 0.00 C ATOM 947 OD1 ASN A 60 3.437 2.434 1.059 1.00 0.00 O ATOM 948 ND2 ASN A 60 4.066 0.430 0.247 1.00 0.00 N ATOM 0 H ASN A 60 4.539 2.457 3.343 1.00 0.00 H new ATOM 0 HA ASN A 60 3.792 -0.237 4.294 1.00 0.00 H new ATOM 0 HB2 ASN A 60 2.717 -0.522 2.140 1.00 0.00 H new ATOM 0 HB3 ASN A 60 2.160 0.995 2.819 1.00 0.00 H new ATOM 0 HD21 ASN A 60 4.427 0.828 -0.620 1.00 0.00 H new ATOM 0 HD22 ASN A 60 4.114 -0.577 0.405 1.00 0.00 H new TER 955 ASN A 60 HETATM 956 O HOH A 61 -0.870 -11.666 3.249 1.00 0.00 O