USER MOD reduce.3.24.130724 H: found=0, std=0, add=431, rem=0, adj=15 USER MOD reduce.3.24.130724 removed 430 hydrogens (0 hets) USER MOD ----------------------------------------------------------------- USER MOD scores for adjustable sidechains, with "set" totals for H,N and Q USER MOD "o" means original, "f" means flipped, "180deg" is methyl default USER MOD "!" flags a clash with an overlap of 0.40A or greater USER MOD flip categories: "K"=keep, "C"=clashes, "X"=uncertain, "F"=flip USER MOD Set 1.1: A 5 ASN :FLIP amide:sc= -1.43! C(o=-2.4!,f=-1.4!) USER MOD Set 1.2: A 13 THR OG1 : rot 180:sc= 0 USER MOD Single : A 1 ARG N :NH3+ 179:sc= -2.19! (180deg=-2.39!) USER MOD Single : A 4 TYR OH : rot 180:sc= -0.366 USER MOD Single : A 6 HIS : no HD1:sc= -9.33! C(o=-9.3!,f=-12!) USER MOD Single : A 9 THR OG1 : rot 180:sc= 0 USER MOD Single : A 10 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 14 THR OG1 : rot 180:sc= 0.00354 USER MOD Single : A 16 THR OG1 : rot 180:sc= 0 USER MOD Single : A 18 GLN : amide:sc= -1.98! X(o=-2!,f=-1.5) USER MOD Single : A 21 SER OG : rot 180:sc= 0.0615 USER MOD Single : A 23 TYR OH : rot 180:sc= 0 USER MOD Single : A 24 LYS NZ :NH3+ 157:sc= -0.154 (180deg=-1.27!) USER MOD Single : A 25 ASN :FLIP amide:sc= -1.91 F(o=-3.6!,f=-1.9) USER MOD Single : A 28 THR OG1 : rot 180:sc= 0 USER MOD Single : A 31 ASN : amide:sc= -0.569 X(o=-0.57,f=-0.27) USER MOD Single : A 41 THR OG1 : rot 180:sc= 0 USER MOD Single : A 46 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Single : A 50 TYR OH : rot 180:sc= 0 USER MOD Single : A 54 SER OG : rot 180:sc= 0.0763 USER MOD Single : A 56 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 58 ASN : amide:sc= -6.54! C(o=-6.5!,f=-18!) USER MOD ----------------------------------------------------------------- ATOM 1 N ARG A 1 3.132 11.568 2.962 1.00 0.00 N ATOM 2 CA ARG A 1 2.413 12.545 2.100 1.00 0.00 C ATOM 3 C ARG A 1 1.085 11.933 1.648 1.00 0.00 C ATOM 4 O ARG A 1 0.440 11.222 2.393 1.00 0.00 O ATOM 5 CB ARG A 1 3.280 12.880 0.881 1.00 0.00 C ATOM 6 CG ARG A 1 3.246 11.727 -0.133 1.00 0.00 C ATOM 7 CD ARG A 1 4.644 11.138 -0.304 1.00 0.00 C ATOM 8 NE ARG A 1 5.549 12.088 -1.014 1.00 0.00 N ATOM 9 CZ ARG A 1 5.793 13.277 -0.528 1.00 0.00 C ATOM 10 NH1 ARG A 1 4.926 14.240 -0.672 1.00 0.00 N ATOM 11 NH2 ARG A 1 6.914 13.504 0.099 1.00 0.00 N ATOM 0 H1 ARG A 1 4.043 11.972 3.259 1.00 0.00 H new ATOM 0 H2 ARG A 1 2.557 11.357 3.802 1.00 0.00 H new ATOM 0 H3 ARG A 1 3.299 10.691 2.428 1.00 0.00 H new ATOM 0 HA ARG A 1 2.215 13.460 2.658 1.00 0.00 H new ATOM 0 HB2 ARG A 1 2.921 13.796 0.412 1.00 0.00 H new ATOM 0 HB3 ARG A 1 4.307 13.065 1.197 1.00 0.00 H new ATOM 0 HG2 ARG A 1 2.556 10.954 0.206 1.00 0.00 H new ATOM 0 HG3 ARG A 1 2.875 12.087 -1.092 1.00 0.00 H new ATOM 0 HD2 ARG A 1 5.061 10.897 0.674 1.00 0.00 H new ATOM 0 HD3 ARG A 1 4.582 10.205 -0.863 1.00 0.00 H new ATOM 0 HE ARG A 1 5.984 11.806 -1.892 1.00 0.00 H new ATOM 0 HH11 ARG A 1 4.051 14.068 -1.166 1.00 0.00 H new ATOM 0 HH12 ARG A 1 5.123 15.165 -0.290 1.00 0.00 H new ATOM 0 HH21 ARG A 1 7.598 12.755 0.209 1.00 0.00 H new ATOM 0 HH22 ARG A 1 7.107 14.431 0.479 1.00 0.00 H new ATOM 27 N ILE A 2 0.667 12.191 0.436 1.00 0.00 N ATOM 28 CA ILE A 2 -0.619 11.602 -0.030 1.00 0.00 C ATOM 29 C ILE A 2 -0.374 10.227 -0.624 1.00 0.00 C ATOM 30 O ILE A 2 0.257 10.090 -1.654 1.00 0.00 O ATOM 31 CB ILE A 2 -1.245 12.482 -1.106 1.00 0.00 C ATOM 32 CG1 ILE A 2 -1.730 13.765 -0.455 1.00 0.00 C ATOM 33 CG2 ILE A 2 -2.432 11.747 -1.736 1.00 0.00 C ATOM 34 CD1 ILE A 2 -0.626 14.821 -0.517 1.00 0.00 C ATOM 0 H ILE A 2 1.155 12.777 -0.242 1.00 0.00 H new ATOM 0 HA ILE A 2 -1.290 11.529 0.826 1.00 0.00 H new ATOM 0 HB ILE A 2 -0.513 12.709 -1.881 1.00 0.00 H new ATOM 0 HG12 ILE A 2 -2.623 14.128 -0.964 1.00 0.00 H new ATOM 0 HG13 ILE A 2 -2.008 13.576 0.582 1.00 0.00 H new ATOM 0 HG21 ILE A 2 -2.881 12.374 -2.506 1.00 0.00 H new ATOM 0 HG22 ILE A 2 -2.087 10.815 -2.183 1.00 0.00 H new ATOM 0 HG23 ILE A 2 -3.174 11.528 -0.968 1.00 0.00 H new ATOM 0 HD11 ILE A 2 -0.976 15.741 -0.049 1.00 0.00 H new ATOM 0 HD12 ILE A 2 0.255 14.458 0.012 1.00 0.00 H new ATOM 0 HD13 ILE A 2 -0.369 15.018 -1.558 1.00 0.00 H new ATOM 46 N CYS A 3 -0.891 9.205 -0.014 1.00 0.00 N ATOM 47 CA CYS A 3 -0.693 7.860 -0.598 1.00 0.00 C ATOM 48 C CYS A 3 -2.049 7.198 -0.821 1.00 0.00 C ATOM 49 O CYS A 3 -3.051 7.616 -0.275 1.00 0.00 O ATOM 50 CB CYS A 3 0.169 6.993 0.322 1.00 0.00 C ATOM 51 SG CYS A 3 1.756 7.810 0.618 1.00 0.00 S ATOM 0 H CYS A 3 -1.433 9.241 0.849 1.00 0.00 H new ATOM 0 HA CYS A 3 -0.177 7.963 -1.553 1.00 0.00 H new ATOM 0 HB2 CYS A 3 -0.347 6.825 1.268 1.00 0.00 H new ATOM 0 HB3 CYS A 3 0.331 6.015 -0.131 1.00 0.00 H new ATOM 56 N TYR A 4 -2.096 6.179 -1.632 1.00 0.00 N ATOM 57 CA TYR A 4 -3.397 5.511 -1.896 1.00 0.00 C ATOM 58 C TYR A 4 -3.717 4.520 -0.784 1.00 0.00 C ATOM 59 O TYR A 4 -2.848 3.840 -0.268 1.00 0.00 O ATOM 60 CB TYR A 4 -3.350 4.780 -3.237 1.00 0.00 C ATOM 61 CG TYR A 4 -3.816 5.723 -4.316 1.00 0.00 C ATOM 62 CD1 TYR A 4 -3.112 6.908 -4.550 1.00 0.00 C ATOM 63 CD2 TYR A 4 -4.954 5.423 -5.073 1.00 0.00 C ATOM 64 CE1 TYR A 4 -3.543 7.794 -5.542 1.00 0.00 C ATOM 65 CE2 TYR A 4 -5.387 6.310 -6.064 1.00 0.00 C ATOM 66 CZ TYR A 4 -4.681 7.496 -6.298 1.00 0.00 C ATOM 67 OH TYR A 4 -5.107 8.372 -7.275 1.00 0.00 O ATOM 0 H TYR A 4 -1.293 5.782 -2.121 1.00 0.00 H new ATOM 0 HA TYR A 4 -4.177 6.272 -1.930 1.00 0.00 H new ATOM 0 HB2 TYR A 4 -2.336 4.438 -3.446 1.00 0.00 H new ATOM 0 HB3 TYR A 4 -3.986 3.895 -3.208 1.00 0.00 H new ATOM 0 HD1 TYR A 4 -2.235 7.139 -3.964 1.00 0.00 H new ATOM 0 HD2 TYR A 4 -5.497 4.507 -4.892 1.00 0.00 H new ATOM 0 HE1 TYR A 4 -2.997 8.708 -5.724 1.00 0.00 H new ATOM 0 HE2 TYR A 4 -6.266 6.080 -6.648 1.00 0.00 H new ATOM 0 HH TYR A 4 -5.911 8.014 -7.707 1.00 0.00 H new ATOM 77 N ASN A 5 -4.970 4.438 -0.425 1.00 0.00 N ATOM 78 CA ASN A 5 -5.403 3.497 0.642 1.00 0.00 C ATOM 79 C ASN A 5 -6.265 2.395 0.010 1.00 0.00 C ATOM 80 O ASN A 5 -6.738 1.498 0.678 1.00 0.00 O ATOM 81 CB ASN A 5 -6.220 4.269 1.689 1.00 0.00 C ATOM 82 CG ASN A 5 -7.126 3.310 2.465 1.00 0.00 C ATOM 83 OD1 ASN A 5 -6.619 2.222 2.972 1.00 0.00 O flip ATOM 84 ND2 ASN A 5 -8.307 3.555 2.610 1.00 0.00 N flip ATOM 0 H ASN A 5 -5.722 4.993 -0.834 1.00 0.00 H new ATOM 0 HA ASN A 5 -4.536 3.046 1.126 1.00 0.00 H new ATOM 0 HB2 ASN A 5 -5.549 4.784 2.377 1.00 0.00 H new ATOM 0 HB3 ASN A 5 -6.823 5.034 1.199 1.00 0.00 H new ATOM 0 HD21 ASN A 5 -8.704 4.407 2.213 1.00 0.00 H new ATOM 0 HD22 ASN A 5 -8.902 2.909 3.129 1.00 0.00 H new ATOM 91 N HIS A 6 -6.482 2.465 -1.274 1.00 0.00 N ATOM 92 CA HIS A 6 -7.319 1.437 -1.946 1.00 0.00 C ATOM 93 C HIS A 6 -6.829 0.036 -1.581 1.00 0.00 C ATOM 94 O HIS A 6 -5.646 -0.224 -1.479 1.00 0.00 O ATOM 95 CB HIS A 6 -7.249 1.641 -3.460 1.00 0.00 C ATOM 96 CG HIS A 6 -7.602 0.367 -4.185 1.00 0.00 C ATOM 97 ND1 HIS A 6 -8.896 -0.131 -4.216 1.00 0.00 N ATOM 98 CD2 HIS A 6 -6.846 -0.514 -4.917 1.00 0.00 C ATOM 99 CE1 HIS A 6 -8.878 -1.262 -4.945 1.00 0.00 C ATOM 100 NE2 HIS A 6 -7.652 -1.541 -5.397 1.00 0.00 N ATOM 0 H HIS A 6 -6.114 3.193 -1.887 1.00 0.00 H new ATOM 0 HA HIS A 6 -8.352 1.539 -1.614 1.00 0.00 H new ATOM 0 HB2 HIS A 6 -7.933 2.436 -3.757 1.00 0.00 H new ATOM 0 HB3 HIS A 6 -6.246 1.961 -3.743 1.00 0.00 H new ATOM 0 HD2 HIS A 6 -5.784 -0.423 -5.094 1.00 0.00 H new ATOM 0 HE1 HIS A 6 -9.749 -1.870 -5.141 1.00 0.00 H new ATOM 0 HE2 HIS A 6 -7.368 -2.336 -5.970 1.00 0.00 H new ATOM 108 N LEU A 7 -7.749 -0.861 -1.398 1.00 0.00 N ATOM 109 CA LEU A 7 -7.377 -2.267 -1.050 1.00 0.00 C ATOM 110 C LEU A 7 -7.607 -3.179 -2.257 1.00 0.00 C ATOM 111 O LEU A 7 -8.534 -2.980 -3.016 1.00 0.00 O ATOM 112 CB LEU A 7 -8.220 -2.770 0.128 1.00 0.00 C ATOM 113 CG LEU A 7 -9.502 -1.948 0.245 1.00 0.00 C ATOM 114 CD1 LEU A 7 -10.524 -2.714 1.087 1.00 0.00 C ATOM 115 CD2 LEU A 7 -9.183 -0.612 0.917 1.00 0.00 C ATOM 0 H LEU A 7 -8.751 -0.686 -1.473 1.00 0.00 H new ATOM 0 HA LEU A 7 -6.324 -2.285 -0.769 1.00 0.00 H new ATOM 0 HB2 LEU A 7 -8.465 -3.823 -0.014 1.00 0.00 H new ATOM 0 HB3 LEU A 7 -7.647 -2.698 1.052 1.00 0.00 H new ATOM 0 HG LEU A 7 -9.915 -1.768 -0.748 1.00 0.00 H new ATOM 0 HD11 LEU A 7 -11.439 -2.128 1.171 1.00 0.00 H new ATOM 0 HD12 LEU A 7 -10.747 -3.668 0.610 1.00 0.00 H new ATOM 0 HD13 LEU A 7 -10.115 -2.893 2.082 1.00 0.00 H new ATOM 0 HD21 LEU A 7 -10.095 -0.021 1.003 1.00 0.00 H new ATOM 0 HD22 LEU A 7 -8.773 -0.793 1.911 1.00 0.00 H new ATOM 0 HD23 LEU A 7 -8.453 -0.068 0.317 1.00 0.00 H new ATOM 127 N GLY A 8 -6.766 -4.178 -2.409 1.00 0.00 N ATOM 128 CA GLY A 8 -6.878 -5.166 -3.541 1.00 0.00 C ATOM 129 C GLY A 8 -8.053 -4.853 -4.479 1.00 0.00 C ATOM 130 O GLY A 8 -7.940 -4.052 -5.386 1.00 0.00 O ATOM 0 H GLY A 8 -5.984 -4.356 -1.779 1.00 0.00 H new ATOM 0 HA2 GLY A 8 -5.950 -5.165 -4.113 1.00 0.00 H new ATOM 0 HA3 GLY A 8 -7.000 -6.169 -3.133 1.00 0.00 H new ATOM 134 N THR A 9 -9.178 -5.495 -4.276 1.00 0.00 N ATOM 135 CA THR A 9 -10.354 -5.250 -5.166 1.00 0.00 C ATOM 136 C THR A 9 -11.510 -4.649 -4.360 1.00 0.00 C ATOM 137 O THR A 9 -12.627 -5.127 -4.402 1.00 0.00 O ATOM 138 CB THR A 9 -10.803 -6.574 -5.790 1.00 0.00 C ATOM 139 OG1 THR A 9 -11.176 -7.481 -4.762 1.00 0.00 O ATOM 140 CG2 THR A 9 -9.655 -7.171 -6.607 1.00 0.00 C ATOM 0 H THR A 9 -9.332 -6.177 -3.533 1.00 0.00 H new ATOM 0 HA THR A 9 -10.067 -4.550 -5.951 1.00 0.00 H new ATOM 0 HB THR A 9 -11.657 -6.395 -6.443 1.00 0.00 H new ATOM 0 HG1 THR A 9 -11.465 -8.328 -5.162 1.00 0.00 H new ATOM 0 HG21 THR A 9 -9.976 -8.113 -7.051 1.00 0.00 H new ATOM 0 HG22 THR A 9 -9.371 -6.476 -7.397 1.00 0.00 H new ATOM 0 HG23 THR A 9 -8.799 -7.349 -5.956 1.00 0.00 H new ATOM 148 N LYS A 10 -11.251 -3.598 -3.638 1.00 0.00 N ATOM 149 CA LYS A 10 -12.325 -2.944 -2.835 1.00 0.00 C ATOM 150 C LYS A 10 -12.503 -1.514 -3.363 1.00 0.00 C ATOM 151 O LYS A 10 -11.912 -1.174 -4.370 1.00 0.00 O ATOM 152 CB LYS A 10 -11.887 -2.933 -1.369 1.00 0.00 C ATOM 153 CG LYS A 10 -12.974 -3.574 -0.502 1.00 0.00 C ATOM 154 CD LYS A 10 -12.745 -5.084 -0.422 1.00 0.00 C ATOM 155 CE LYS A 10 -14.007 -5.763 0.115 1.00 0.00 C ATOM 156 NZ LYS A 10 -14.077 -5.588 1.594 1.00 0.00 N ATOM 0 H LYS A 10 -10.334 -3.158 -3.567 1.00 0.00 H new ATOM 0 HA LYS A 10 -13.272 -3.477 -2.916 1.00 0.00 H new ATOM 0 HB2 LYS A 10 -10.949 -3.477 -1.255 1.00 0.00 H new ATOM 0 HB3 LYS A 10 -11.703 -1.910 -1.042 1.00 0.00 H new ATOM 0 HG2 LYS A 10 -12.958 -3.140 0.498 1.00 0.00 H new ATOM 0 HG3 LYS A 10 -13.958 -3.367 -0.923 1.00 0.00 H new ATOM 0 HD2 LYS A 10 -12.498 -5.478 -1.408 1.00 0.00 H new ATOM 0 HD3 LYS A 10 -11.898 -5.300 0.229 1.00 0.00 H new ATOM 0 HE2 LYS A 10 -14.892 -5.333 -0.355 1.00 0.00 H new ATOM 0 HE3 LYS A 10 -13.997 -6.824 -0.136 1.00 0.00 H new ATOM 0 HZ1 LYS A 10 -14.935 -6.050 1.958 1.00 0.00 H new ATOM 0 HZ2 LYS A 10 -13.239 -6.018 2.035 1.00 0.00 H new ATOM 0 HZ3 LYS A 10 -14.106 -4.574 1.823 1.00 0.00 H new ATOM 170 N PRO A 11 -13.284 -0.695 -2.690 1.00 0.00 N ATOM 171 CA PRO A 11 -13.481 0.692 -3.132 1.00 0.00 C ATOM 172 C PRO A 11 -12.191 1.470 -2.857 1.00 0.00 C ATOM 173 O PRO A 11 -11.790 1.614 -1.719 1.00 0.00 O ATOM 174 CB PRO A 11 -14.668 1.185 -2.297 1.00 0.00 C ATOM 175 CG PRO A 11 -14.749 0.257 -1.066 1.00 0.00 C ATOM 176 CD PRO A 11 -14.017 -1.045 -1.449 1.00 0.00 C ATOM 0 HA PRO A 11 -13.691 0.811 -4.195 1.00 0.00 H new ATOM 0 HB2 PRO A 11 -14.525 2.222 -1.993 1.00 0.00 H new ATOM 0 HB3 PRO A 11 -15.592 1.146 -2.874 1.00 0.00 H new ATOM 0 HG2 PRO A 11 -14.283 0.723 -0.198 1.00 0.00 H new ATOM 0 HG3 PRO A 11 -15.787 0.055 -0.800 1.00 0.00 H new ATOM 0 HD2 PRO A 11 -13.336 -1.366 -0.661 1.00 0.00 H new ATOM 0 HD3 PRO A 11 -14.718 -1.862 -1.617 1.00 0.00 H new ATOM 184 N PRO A 12 -11.546 1.892 -3.915 1.00 0.00 N ATOM 185 CA PRO A 12 -10.256 2.593 -3.823 1.00 0.00 C ATOM 186 C PRO A 12 -10.404 4.031 -3.327 1.00 0.00 C ATOM 187 O PRO A 12 -11.170 4.813 -3.853 1.00 0.00 O ATOM 188 CB PRO A 12 -9.722 2.560 -5.257 1.00 0.00 C ATOM 189 CG PRO A 12 -10.948 2.352 -6.174 1.00 0.00 C ATOM 190 CD PRO A 12 -12.045 1.724 -5.296 1.00 0.00 C ATOM 0 HA PRO A 12 -9.589 2.120 -3.102 1.00 0.00 H new ATOM 0 HB2 PRO A 12 -9.207 3.489 -5.501 1.00 0.00 H new ATOM 0 HB3 PRO A 12 -9.000 1.753 -5.384 1.00 0.00 H new ATOM 0 HG2 PRO A 12 -11.283 3.300 -6.596 1.00 0.00 H new ATOM 0 HG3 PRO A 12 -10.700 1.700 -7.012 1.00 0.00 H new ATOM 0 HD2 PRO A 12 -13.003 2.225 -5.437 1.00 0.00 H new ATOM 0 HD3 PRO A 12 -12.196 0.672 -5.539 1.00 0.00 H new ATOM 198 N THR A 13 -9.644 4.380 -2.326 1.00 0.00 N ATOM 199 CA THR A 13 -9.691 5.771 -1.789 1.00 0.00 C ATOM 200 C THR A 13 -8.272 6.170 -1.391 1.00 0.00 C ATOM 201 O THR A 13 -7.554 5.395 -0.792 1.00 0.00 O ATOM 202 CB THR A 13 -10.622 5.855 -0.567 1.00 0.00 C ATOM 203 OG1 THR A 13 -9.918 6.413 0.534 1.00 0.00 O ATOM 204 CG2 THR A 13 -11.136 4.464 -0.188 1.00 0.00 C ATOM 0 H THR A 13 -8.988 3.758 -1.853 1.00 0.00 H new ATOM 0 HA THR A 13 -10.081 6.447 -2.550 1.00 0.00 H new ATOM 0 HB THR A 13 -11.472 6.489 -0.820 1.00 0.00 H new ATOM 0 HG1 THR A 13 -10.514 6.467 1.310 1.00 0.00 H new ATOM 0 HG21 THR A 13 -11.793 4.542 0.678 1.00 0.00 H new ATOM 0 HG22 THR A 13 -11.689 4.040 -1.026 1.00 0.00 H new ATOM 0 HG23 THR A 13 -10.292 3.818 0.054 1.00 0.00 H new ATOM 212 N THR A 14 -7.847 7.359 -1.714 1.00 0.00 N ATOM 213 CA THR A 14 -6.465 7.753 -1.336 1.00 0.00 C ATOM 214 C THR A 14 -6.399 7.992 0.166 1.00 0.00 C ATOM 215 O THR A 14 -7.386 7.899 0.867 1.00 0.00 O ATOM 216 CB THR A 14 -6.042 9.022 -2.074 1.00 0.00 C ATOM 217 OG1 THR A 14 -7.060 10.006 -1.953 1.00 0.00 O ATOM 218 CG2 THR A 14 -5.810 8.699 -3.548 1.00 0.00 C ATOM 0 H THR A 14 -8.388 8.064 -2.215 1.00 0.00 H new ATOM 0 HA THR A 14 -5.785 6.948 -1.614 1.00 0.00 H new ATOM 0 HB THR A 14 -5.119 9.406 -1.638 1.00 0.00 H new ATOM 0 HG1 THR A 14 -6.786 10.820 -2.425 1.00 0.00 H new ATOM 0 HG21 THR A 14 -5.508 9.604 -4.076 1.00 0.00 H new ATOM 0 HG22 THR A 14 -5.025 7.948 -3.637 1.00 0.00 H new ATOM 0 HG23 THR A 14 -6.731 8.314 -3.986 1.00 0.00 H new ATOM 226 N GLU A 15 -5.239 8.296 0.667 1.00 0.00 N ATOM 227 CA GLU A 15 -5.109 8.536 2.129 1.00 0.00 C ATOM 228 C GLU A 15 -3.926 9.461 2.395 1.00 0.00 C ATOM 229 O GLU A 15 -2.924 9.418 1.710 1.00 0.00 O ATOM 230 CB GLU A 15 -4.885 7.205 2.850 1.00 0.00 C ATOM 231 CG GLU A 15 -6.203 6.724 3.460 1.00 0.00 C ATOM 232 CD GLU A 15 -6.770 7.813 4.372 1.00 0.00 C ATOM 233 OE1 GLU A 15 -6.325 7.900 5.506 1.00 0.00 O ATOM 234 OE2 GLU A 15 -7.639 8.542 3.923 1.00 0.00 O ATOM 0 H GLU A 15 -4.376 8.389 0.131 1.00 0.00 H new ATOM 0 HA GLU A 15 -6.023 9.001 2.498 1.00 0.00 H new ATOM 0 HB2 GLU A 15 -4.503 6.461 2.151 1.00 0.00 H new ATOM 0 HB3 GLU A 15 -4.134 7.324 3.630 1.00 0.00 H new ATOM 0 HG2 GLU A 15 -6.917 6.488 2.671 1.00 0.00 H new ATOM 0 HG3 GLU A 15 -6.040 5.808 4.027 1.00 0.00 H new ATOM 241 N THR A 16 -4.029 10.292 3.391 1.00 0.00 N ATOM 242 CA THR A 16 -2.906 11.211 3.705 1.00 0.00 C ATOM 243 C THR A 16 -2.277 10.789 5.033 1.00 0.00 C ATOM 244 O THR A 16 -2.951 10.652 6.034 1.00 0.00 O ATOM 245 CB THR A 16 -3.428 12.642 3.824 1.00 0.00 C ATOM 246 OG1 THR A 16 -4.841 12.644 3.677 1.00 0.00 O ATOM 247 CG2 THR A 16 -2.799 13.509 2.737 1.00 0.00 C ATOM 0 H THR A 16 -4.843 10.374 4.001 1.00 0.00 H new ATOM 0 HA THR A 16 -2.163 11.166 2.909 1.00 0.00 H new ATOM 0 HB THR A 16 -3.164 13.044 4.802 1.00 0.00 H new ATOM 0 HG1 THR A 16 -5.177 13.561 3.755 1.00 0.00 H new ATOM 0 HG21 THR A 16 -3.173 14.529 2.824 1.00 0.00 H new ATOM 0 HG22 THR A 16 -1.715 13.508 2.853 1.00 0.00 H new ATOM 0 HG23 THR A 16 -3.059 13.109 1.757 1.00 0.00 H new ATOM 255 N CYS A 17 -0.992 10.583 5.052 1.00 0.00 N ATOM 256 CA CYS A 17 -0.329 10.169 6.319 1.00 0.00 C ATOM 257 C CYS A 17 0.955 10.974 6.511 1.00 0.00 C ATOM 258 O CYS A 17 1.179 11.970 5.851 1.00 0.00 O ATOM 259 CB CYS A 17 0.006 8.679 6.260 1.00 0.00 C ATOM 260 SG CYS A 17 -1.370 7.783 5.500 1.00 0.00 S ATOM 0 H CYS A 17 -0.372 10.683 4.248 1.00 0.00 H new ATOM 0 HA CYS A 17 -1.002 10.355 7.156 1.00 0.00 H new ATOM 0 HB2 CYS A 17 0.918 8.523 5.684 1.00 0.00 H new ATOM 0 HB3 CYS A 17 0.193 8.297 7.264 1.00 0.00 H new ATOM 265 N GLN A 18 1.796 10.556 7.413 1.00 0.00 N ATOM 266 CA GLN A 18 3.058 11.307 7.650 1.00 0.00 C ATOM 267 C GLN A 18 4.190 10.713 6.835 1.00 0.00 C ATOM 268 O GLN A 18 5.032 11.418 6.315 1.00 0.00 O ATOM 269 CB GLN A 18 3.460 11.211 9.108 1.00 0.00 C ATOM 270 CG GLN A 18 4.721 12.053 9.310 1.00 0.00 C ATOM 271 CD GLN A 18 4.486 13.459 8.746 1.00 0.00 C ATOM 272 OE1 GLN A 18 4.152 14.372 9.476 1.00 0.00 O ATOM 273 NE2 GLN A 18 4.645 13.668 7.464 1.00 0.00 N ATOM 0 H GLN A 18 1.665 9.729 7.995 1.00 0.00 H new ATOM 0 HA GLN A 18 2.881 12.344 7.364 1.00 0.00 H new ATOM 0 HB2 GLN A 18 2.655 11.571 9.749 1.00 0.00 H new ATOM 0 HB3 GLN A 18 3.647 10.173 9.384 1.00 0.00 H new ATOM 0 HG2 GLN A 18 4.968 12.110 10.370 1.00 0.00 H new ATOM 0 HG3 GLN A 18 5.569 11.585 8.810 1.00 0.00 H new ATOM 0 HE21 GLN A 18 4.925 12.901 6.853 1.00 0.00 H new ATOM 0 HE22 GLN A 18 4.489 14.598 7.076 1.00 0.00 H new ATOM 282 N GLU A 19 4.240 9.423 6.741 1.00 0.00 N ATOM 283 CA GLU A 19 5.359 8.811 5.974 1.00 0.00 C ATOM 284 C GLU A 19 5.214 9.223 4.522 1.00 0.00 C ATOM 285 O GLU A 19 4.206 8.973 3.890 1.00 0.00 O ATOM 286 CB GLU A 19 5.360 7.276 6.051 1.00 0.00 C ATOM 287 CG GLU A 19 4.336 6.764 7.068 1.00 0.00 C ATOM 288 CD GLU A 19 4.686 7.290 8.462 1.00 0.00 C ATOM 289 OE1 GLU A 19 5.801 7.754 8.635 1.00 0.00 O ATOM 290 OE2 GLU A 19 3.833 7.221 9.331 1.00 0.00 O ATOM 0 H GLU A 19 3.571 8.771 7.151 1.00 0.00 H new ATOM 0 HA GLU A 19 6.296 9.160 6.408 1.00 0.00 H new ATOM 0 HB2 GLU A 19 5.137 6.861 5.068 1.00 0.00 H new ATOM 0 HB3 GLU A 19 6.355 6.925 6.326 1.00 0.00 H new ATOM 0 HG2 GLU A 19 3.335 7.090 6.786 1.00 0.00 H new ATOM 0 HG3 GLU A 19 4.327 5.674 7.072 1.00 0.00 H new ATOM 297 N ASP A 20 6.214 9.852 3.979 1.00 0.00 N ATOM 298 CA ASP A 20 6.105 10.266 2.555 1.00 0.00 C ATOM 299 C ASP A 20 6.154 9.017 1.694 1.00 0.00 C ATOM 300 O ASP A 20 5.916 9.059 0.504 1.00 0.00 O ATOM 301 CB ASP A 20 7.228 11.222 2.115 1.00 0.00 C ATOM 302 CG ASP A 20 8.213 11.473 3.258 1.00 0.00 C ATOM 303 OD1 ASP A 20 8.778 10.510 3.752 1.00 0.00 O ATOM 304 OD2 ASP A 20 8.387 12.625 3.623 1.00 0.00 O ATOM 0 H ASP A 20 7.087 10.094 4.448 1.00 0.00 H new ATOM 0 HA ASP A 20 5.166 10.806 2.437 1.00 0.00 H new ATOM 0 HB2 ASP A 20 7.757 10.799 1.261 1.00 0.00 H new ATOM 0 HB3 ASP A 20 6.797 12.168 1.787 1.00 0.00 H new ATOM 309 N SER A 21 6.439 7.893 2.287 1.00 0.00 N ATOM 310 CA SER A 21 6.481 6.649 1.502 1.00 0.00 C ATOM 311 C SER A 21 5.051 6.158 1.340 1.00 0.00 C ATOM 312 O SER A 21 4.196 6.446 2.152 1.00 0.00 O ATOM 313 CB SER A 21 7.303 5.598 2.253 1.00 0.00 C ATOM 314 OG SER A 21 7.842 6.178 3.435 1.00 0.00 O ATOM 0 H SER A 21 6.643 7.791 3.281 1.00 0.00 H new ATOM 0 HA SER A 21 6.939 6.823 0.529 1.00 0.00 H new ATOM 0 HB2 SER A 21 6.676 4.743 2.507 1.00 0.00 H new ATOM 0 HB3 SER A 21 8.107 5.226 1.618 1.00 0.00 H new ATOM 0 HG SER A 21 8.367 5.507 3.919 1.00 0.00 H new ATOM 320 N CYS A 22 4.781 5.396 0.329 1.00 0.00 N ATOM 321 CA CYS A 22 3.414 4.855 0.153 1.00 0.00 C ATOM 322 C CYS A 22 3.603 3.365 -0.047 1.00 0.00 C ATOM 323 O CYS A 22 4.342 2.944 -0.915 1.00 0.00 O ATOM 324 CB CYS A 22 2.734 5.487 -1.062 1.00 0.00 C ATOM 325 SG CYS A 22 2.887 7.289 -0.973 1.00 0.00 S ATOM 0 H CYS A 22 5.452 5.122 -0.389 1.00 0.00 H new ATOM 0 HA CYS A 22 2.775 5.072 1.009 1.00 0.00 H new ATOM 0 HB2 CYS A 22 3.191 5.118 -1.980 1.00 0.00 H new ATOM 0 HB3 CYS A 22 1.682 5.202 -1.092 1.00 0.00 H new ATOM 330 N TYR A 23 3.014 2.554 0.772 1.00 0.00 N ATOM 331 CA TYR A 23 3.269 1.107 0.618 1.00 0.00 C ATOM 332 C TYR A 23 2.126 0.404 -0.083 1.00 0.00 C ATOM 333 O TYR A 23 0.964 0.670 0.142 1.00 0.00 O ATOM 334 CB TYR A 23 3.507 0.461 1.990 1.00 0.00 C ATOM 335 CG TYR A 23 2.212 0.344 2.768 1.00 0.00 C ATOM 336 CD1 TYR A 23 1.222 -0.552 2.354 1.00 0.00 C ATOM 337 CD2 TYR A 23 2.013 1.115 3.918 1.00 0.00 C ATOM 338 CE1 TYR A 23 0.036 -0.682 3.082 1.00 0.00 C ATOM 339 CE2 TYR A 23 0.824 0.990 4.647 1.00 0.00 C ATOM 340 CZ TYR A 23 -0.165 0.090 4.229 1.00 0.00 C ATOM 341 OH TYR A 23 -1.335 -0.035 4.950 1.00 0.00 O ATOM 0 H TYR A 23 2.381 2.821 1.526 1.00 0.00 H new ATOM 0 HA TYR A 23 4.161 0.998 0.001 1.00 0.00 H new ATOM 0 HB2 TYR A 23 3.947 -0.528 1.859 1.00 0.00 H new ATOM 0 HB3 TYR A 23 4.223 1.056 2.557 1.00 0.00 H new ATOM 0 HD1 TYR A 23 1.375 -1.148 1.466 1.00 0.00 H new ATOM 0 HD2 TYR A 23 2.776 1.806 4.244 1.00 0.00 H new ATOM 0 HE1 TYR A 23 -0.724 -1.378 2.758 1.00 0.00 H new ATOM 0 HE2 TYR A 23 0.669 1.588 5.533 1.00 0.00 H new ATOM 0 HH TYR A 23 -1.312 0.573 5.719 1.00 0.00 H new ATOM 351 N LYS A 24 2.477 -0.519 -0.913 1.00 0.00 N ATOM 352 CA LYS A 24 1.465 -1.324 -1.638 1.00 0.00 C ATOM 353 C LYS A 24 1.968 -2.760 -1.690 1.00 0.00 C ATOM 354 O LYS A 24 2.843 -3.091 -2.465 1.00 0.00 O ATOM 355 CB LYS A 24 1.294 -0.798 -3.051 1.00 0.00 C ATOM 356 CG LYS A 24 -0.186 -0.573 -3.318 1.00 0.00 C ATOM 357 CD LYS A 24 -0.478 -0.808 -4.802 1.00 0.00 C ATOM 358 CE LYS A 24 0.615 -0.160 -5.656 1.00 0.00 C ATOM 359 NZ LYS A 24 0.008 0.432 -6.881 1.00 0.00 N ATOM 0 H LYS A 24 3.445 -0.759 -1.128 1.00 0.00 H new ATOM 0 HA LYS A 24 0.503 -1.267 -1.129 1.00 0.00 H new ATOM 0 HB2 LYS A 24 1.845 0.134 -3.175 1.00 0.00 H new ATOM 0 HB3 LYS A 24 1.703 -1.508 -3.770 1.00 0.00 H new ATOM 0 HG2 LYS A 24 -0.784 -1.250 -2.707 1.00 0.00 H new ATOM 0 HG3 LYS A 24 -0.467 0.442 -3.037 1.00 0.00 H new ATOM 0 HD2 LYS A 24 -0.526 -1.877 -5.007 1.00 0.00 H new ATOM 0 HD3 LYS A 24 -1.450 -0.389 -5.061 1.00 0.00 H new ATOM 0 HE2 LYS A 24 1.128 0.612 -5.083 1.00 0.00 H new ATOM 0 HE3 LYS A 24 1.363 -0.903 -5.932 1.00 0.00 H new ATOM 0 HZ1 LYS A 24 0.630 1.179 -7.251 1.00 0.00 H new ATOM 0 HZ2 LYS A 24 -0.111 -0.308 -7.602 1.00 0.00 H new ATOM 0 HZ3 LYS A 24 -0.920 0.839 -6.647 1.00 0.00 H new ATOM 373 N ASN A 25 1.455 -3.613 -0.854 1.00 0.00 N ATOM 374 CA ASN A 25 1.957 -5.015 -0.861 1.00 0.00 C ATOM 375 C ASN A 25 0.816 -6.005 -1.077 1.00 0.00 C ATOM 376 O ASN A 25 -0.341 -5.700 -0.870 1.00 0.00 O ATOM 377 CB ASN A 25 2.642 -5.314 0.472 1.00 0.00 C ATOM 378 CG ASN A 25 1.941 -4.560 1.595 1.00 0.00 C ATOM 379 OD1 ASN A 25 1.980 -3.260 1.607 1.00 0.00 O flip ATOM 380 ND2 ASN A 25 1.349 -5.160 2.470 1.00 0.00 N flip ATOM 0 H ASN A 25 0.722 -3.408 -0.175 1.00 0.00 H new ATOM 0 HA ASN A 25 2.667 -5.123 -1.681 1.00 0.00 H new ATOM 0 HB2 ASN A 25 2.618 -6.385 0.671 1.00 0.00 H new ATOM 0 HB3 ASN A 25 3.691 -5.022 0.425 1.00 0.00 H new ATOM 0 HD21 ASN A 25 1.319 -6.180 2.459 1.00 0.00 H new ATOM 0 HD22 ASN A 25 0.882 -4.644 3.216 1.00 0.00 H new ATOM 387 N ILE A 26 1.150 -7.197 -1.492 1.00 0.00 N ATOM 388 CA ILE A 26 0.108 -8.235 -1.729 1.00 0.00 C ATOM 389 C ILE A 26 0.046 -9.185 -0.529 1.00 0.00 C ATOM 390 O ILE A 26 -0.919 -9.898 -0.339 1.00 0.00 O ATOM 391 CB ILE A 26 0.444 -9.027 -3.004 1.00 0.00 C ATOM 392 CG1 ILE A 26 1.519 -10.090 -2.718 1.00 0.00 C ATOM 393 CG2 ILE A 26 0.949 -8.070 -4.085 1.00 0.00 C ATOM 394 CD1 ILE A 26 2.873 -9.423 -2.464 1.00 0.00 C ATOM 0 H ILE A 26 2.107 -7.497 -1.678 1.00 0.00 H new ATOM 0 HA ILE A 26 -0.861 -7.751 -1.854 1.00 0.00 H new ATOM 0 HB ILE A 26 -0.460 -9.529 -3.348 1.00 0.00 H new ATOM 0 HG12 ILE A 26 1.231 -10.684 -1.851 1.00 0.00 H new ATOM 0 HG13 ILE A 26 1.596 -10.775 -3.562 1.00 0.00 H new ATOM 0 HG21 ILE A 26 1.187 -8.633 -4.987 1.00 0.00 H new ATOM 0 HG22 ILE A 26 0.177 -7.334 -4.309 1.00 0.00 H new ATOM 0 HG23 ILE A 26 1.844 -7.560 -3.730 1.00 0.00 H new ATOM 0 HD11 ILE A 26 3.623 -10.188 -2.263 1.00 0.00 H new ATOM 0 HD12 ILE A 26 3.166 -8.849 -3.343 1.00 0.00 H new ATOM 0 HD13 ILE A 26 2.795 -8.757 -1.605 1.00 0.00 H new ATOM 406 N TRP A 27 1.071 -9.206 0.278 1.00 0.00 N ATOM 407 CA TRP A 27 1.072 -10.114 1.460 1.00 0.00 C ATOM 408 C TRP A 27 0.043 -9.629 2.481 1.00 0.00 C ATOM 409 O TRP A 27 0.260 -8.664 3.187 1.00 0.00 O ATOM 410 CB TRP A 27 2.459 -10.117 2.098 1.00 0.00 C ATOM 411 CG TRP A 27 3.484 -10.385 1.043 1.00 0.00 C ATOM 412 CD1 TRP A 27 4.240 -9.442 0.435 1.00 0.00 C ATOM 413 CD2 TRP A 27 3.877 -11.663 0.462 1.00 0.00 C ATOM 414 NE1 TRP A 27 5.069 -10.059 -0.484 1.00 0.00 N ATOM 415 CE2 TRP A 27 4.883 -11.428 -0.503 1.00 0.00 C ATOM 416 CE3 TRP A 27 3.459 -12.989 0.677 1.00 0.00 C ATOM 417 CZ2 TRP A 27 5.456 -12.473 -1.231 1.00 0.00 C ATOM 418 CZ3 TRP A 27 4.034 -14.042 -0.052 1.00 0.00 C ATOM 419 CH2 TRP A 27 5.030 -13.784 -1.005 1.00 0.00 C ATOM 0 H TRP A 27 1.908 -8.633 0.170 1.00 0.00 H new ATOM 0 HA TRP A 27 0.816 -11.124 1.140 1.00 0.00 H new ATOM 0 HB2 TRP A 27 2.654 -9.157 2.577 1.00 0.00 H new ATOM 0 HB3 TRP A 27 2.513 -10.878 2.876 1.00 0.00 H new ATOM 0 HD1 TRP A 27 4.202 -8.381 0.635 1.00 0.00 H new ATOM 0 HE1 TRP A 27 5.736 -9.564 -1.076 1.00 0.00 H new ATOM 0 HE3 TRP A 27 2.691 -13.198 1.407 1.00 0.00 H new ATOM 0 HZ2 TRP A 27 6.223 -12.269 -1.963 1.00 0.00 H new ATOM 0 HZ3 TRP A 27 3.707 -15.057 0.122 1.00 0.00 H new ATOM 0 HH2 TRP A 27 5.467 -14.598 -1.564 1.00 0.00 H new ATOM 430 N THR A 28 -1.077 -10.292 2.567 1.00 0.00 N ATOM 431 CA THR A 28 -2.118 -9.870 3.543 1.00 0.00 C ATOM 432 C THR A 28 -3.048 -11.055 3.838 1.00 0.00 C ATOM 433 O THR A 28 -3.016 -12.061 3.158 1.00 0.00 O ATOM 434 CB THR A 28 -2.906 -8.685 2.957 1.00 0.00 C ATOM 435 OG1 THR A 28 -3.355 -7.851 4.014 1.00 0.00 O ATOM 436 CG2 THR A 28 -4.111 -9.181 2.152 1.00 0.00 C ATOM 0 H THR A 28 -1.315 -11.108 2.003 1.00 0.00 H new ATOM 0 HA THR A 28 -1.655 -9.554 4.478 1.00 0.00 H new ATOM 0 HB THR A 28 -2.250 -8.123 2.291 1.00 0.00 H new ATOM 0 HG1 THR A 28 -3.856 -7.094 3.644 1.00 0.00 H new ATOM 0 HG21 THR A 28 -4.654 -8.327 1.747 1.00 0.00 H new ATOM 0 HG22 THR A 28 -3.767 -9.814 1.334 1.00 0.00 H new ATOM 0 HG23 THR A 28 -4.771 -9.756 2.802 1.00 0.00 H new ATOM 444 N PHE A 29 -3.875 -10.946 4.841 1.00 0.00 N ATOM 445 CA PHE A 29 -4.797 -12.071 5.165 1.00 0.00 C ATOM 446 C PHE A 29 -6.187 -11.778 4.596 1.00 0.00 C ATOM 447 O PHE A 29 -6.625 -12.404 3.650 1.00 0.00 O ATOM 448 CB PHE A 29 -4.888 -12.237 6.684 1.00 0.00 C ATOM 449 CG PHE A 29 -4.014 -13.392 7.115 1.00 0.00 C ATOM 450 CD1 PHE A 29 -4.269 -14.681 6.633 1.00 0.00 C ATOM 451 CD2 PHE A 29 -2.948 -13.173 7.996 1.00 0.00 C ATOM 452 CE1 PHE A 29 -3.459 -15.752 7.030 1.00 0.00 C ATOM 453 CE2 PHE A 29 -2.138 -14.243 8.393 1.00 0.00 C ATOM 454 CZ PHE A 29 -2.393 -15.532 7.911 1.00 0.00 C ATOM 0 H PHE A 29 -3.952 -10.130 5.448 1.00 0.00 H new ATOM 0 HA PHE A 29 -4.414 -12.991 4.723 1.00 0.00 H new ATOM 0 HB2 PHE A 29 -4.570 -11.320 7.181 1.00 0.00 H new ATOM 0 HB3 PHE A 29 -5.921 -12.418 6.980 1.00 0.00 H new ATOM 0 HD1 PHE A 29 -5.092 -14.850 5.954 1.00 0.00 H new ATOM 0 HD2 PHE A 29 -2.751 -12.179 8.369 1.00 0.00 H new ATOM 0 HE1 PHE A 29 -3.656 -16.746 6.657 1.00 0.00 H new ATOM 0 HE2 PHE A 29 -1.315 -14.074 9.072 1.00 0.00 H new ATOM 0 HZ PHE A 29 -1.768 -16.357 8.219 1.00 0.00 H new ATOM 464 N ASP A 30 -6.886 -10.833 5.162 1.00 0.00 N ATOM 465 CA ASP A 30 -8.248 -10.505 4.652 1.00 0.00 C ATOM 466 C ASP A 30 -8.186 -10.233 3.145 1.00 0.00 C ATOM 467 O ASP A 30 -8.304 -11.133 2.337 1.00 0.00 O ATOM 468 CB ASP A 30 -8.777 -9.261 5.370 1.00 0.00 C ATOM 469 CG ASP A 30 -9.346 -9.661 6.733 1.00 0.00 C ATOM 470 OD1 ASP A 30 -8.884 -10.652 7.278 1.00 0.00 O ATOM 471 OD2 ASP A 30 -10.232 -8.973 7.208 1.00 0.00 O ATOM 0 H ASP A 30 -6.573 -10.274 5.956 1.00 0.00 H new ATOM 0 HA ASP A 30 -8.913 -11.347 4.840 1.00 0.00 H new ATOM 0 HB2 ASP A 30 -7.975 -8.534 5.498 1.00 0.00 H new ATOM 0 HB3 ASP A 30 -9.549 -8.782 4.768 1.00 0.00 H new ATOM 476 N ASN A 31 -8.007 -8.997 2.762 1.00 0.00 N ATOM 477 CA ASN A 31 -7.943 -8.665 1.309 1.00 0.00 C ATOM 478 C ASN A 31 -6.647 -9.219 0.709 1.00 0.00 C ATOM 479 O ASN A 31 -6.177 -10.272 1.091 1.00 0.00 O ATOM 480 CB ASN A 31 -7.986 -7.145 1.137 1.00 0.00 C ATOM 481 CG ASN A 31 -9.092 -6.562 2.018 1.00 0.00 C ATOM 482 OD1 ASN A 31 -8.823 -6.023 3.073 1.00 0.00 O ATOM 483 ND2 ASN A 31 -10.335 -6.647 1.626 1.00 0.00 N ATOM 0 H ASN A 31 -7.902 -8.202 3.393 1.00 0.00 H new ATOM 0 HA ASN A 31 -8.793 -9.113 0.794 1.00 0.00 H new ATOM 0 HB2 ASN A 31 -7.024 -6.711 1.408 1.00 0.00 H new ATOM 0 HB3 ASN A 31 -8.167 -6.892 0.092 1.00 0.00 H new ATOM 0 HD21 ASN A 31 -11.080 -6.261 2.206 1.00 0.00 H new ATOM 0 HD22 ASN A 31 -10.561 -7.100 0.740 1.00 0.00 H new ATOM 490 N ILE A 32 -6.065 -8.521 -0.232 1.00 0.00 N ATOM 491 CA ILE A 32 -4.804 -9.014 -0.855 1.00 0.00 C ATOM 492 C ILE A 32 -3.813 -7.857 -0.994 1.00 0.00 C ATOM 493 O ILE A 32 -2.799 -7.811 -0.328 1.00 0.00 O ATOM 494 CB ILE A 32 -5.107 -9.580 -2.241 1.00 0.00 C ATOM 495 CG1 ILE A 32 -6.441 -10.330 -2.205 1.00 0.00 C ATOM 496 CG2 ILE A 32 -3.992 -10.540 -2.657 1.00 0.00 C ATOM 497 CD1 ILE A 32 -6.286 -11.606 -1.378 1.00 0.00 C ATOM 0 H ILE A 32 -6.409 -7.632 -0.594 1.00 0.00 H new ATOM 0 HA ILE A 32 -4.373 -9.792 -0.225 1.00 0.00 H new ATOM 0 HB ILE A 32 -5.168 -8.764 -2.961 1.00 0.00 H new ATOM 0 HG12 ILE A 32 -7.215 -9.696 -1.773 1.00 0.00 H new ATOM 0 HG13 ILE A 32 -6.759 -10.577 -3.218 1.00 0.00 H new ATOM 0 HG21 ILE A 32 -4.209 -10.943 -3.646 1.00 0.00 H new ATOM 0 HG22 ILE A 32 -3.043 -10.005 -2.684 1.00 0.00 H new ATOM 0 HG23 ILE A 32 -3.928 -11.357 -1.938 1.00 0.00 H new ATOM 0 HD11 ILE A 32 -7.236 -12.140 -1.352 1.00 0.00 H new ATOM 0 HD12 ILE A 32 -5.524 -12.242 -1.829 1.00 0.00 H new ATOM 0 HD13 ILE A 32 -5.988 -11.347 -0.362 1.00 0.00 H new ATOM 509 N ILE A 33 -4.102 -6.920 -1.856 1.00 0.00 N ATOM 510 CA ILE A 33 -3.178 -5.763 -2.040 1.00 0.00 C ATOM 511 C ILE A 33 -3.596 -4.641 -1.110 1.00 0.00 C ATOM 512 O ILE A 33 -4.766 -4.430 -0.865 1.00 0.00 O ATOM 513 CB ILE A 33 -3.253 -5.242 -3.476 1.00 0.00 C ATOM 514 CG1 ILE A 33 -3.662 -6.374 -4.406 1.00 0.00 C ATOM 515 CG2 ILE A 33 -1.891 -4.690 -3.895 1.00 0.00 C ATOM 516 CD1 ILE A 33 -2.733 -7.568 -4.193 1.00 0.00 C ATOM 0 H ILE A 33 -4.938 -6.905 -2.441 1.00 0.00 H new ATOM 0 HA ILE A 33 -2.162 -6.092 -1.822 1.00 0.00 H new ATOM 0 HB ILE A 33 -3.993 -4.444 -3.535 1.00 0.00 H new ATOM 0 HG12 ILE A 33 -4.695 -6.664 -4.212 1.00 0.00 H new ATOM 0 HG13 ILE A 33 -3.614 -6.042 -5.443 1.00 0.00 H new ATOM 0 HG21 ILE A 33 -1.948 -4.320 -4.919 1.00 0.00 H new ATOM 0 HG22 ILE A 33 -1.608 -3.875 -3.229 1.00 0.00 H new ATOM 0 HG23 ILE A 33 -1.144 -5.482 -3.837 1.00 0.00 H new ATOM 0 HD11 ILE A 33 -3.025 -8.380 -4.859 1.00 0.00 H new ATOM 0 HD12 ILE A 33 -1.706 -7.273 -4.409 1.00 0.00 H new ATOM 0 HD13 ILE A 33 -2.804 -7.904 -3.159 1.00 0.00 H new ATOM 528 N ARG A 34 -2.660 -3.904 -0.603 1.00 0.00 N ATOM 529 CA ARG A 34 -3.043 -2.785 0.292 1.00 0.00 C ATOM 530 C ARG A 34 -2.113 -1.594 0.116 1.00 0.00 C ATOM 531 O ARG A 34 -0.957 -1.615 0.493 1.00 0.00 O ATOM 532 CB ARG A 34 -3.017 -3.225 1.745 1.00 0.00 C ATOM 533 CG ARG A 34 -3.788 -2.196 2.569 1.00 0.00 C ATOM 534 CD ARG A 34 -4.237 -2.820 3.889 1.00 0.00 C ATOM 535 NE ARG A 34 -4.638 -1.745 4.840 1.00 0.00 N ATOM 536 CZ ARG A 34 -5.802 -1.795 5.430 1.00 0.00 C ATOM 537 NH1 ARG A 34 -6.895 -1.778 4.720 1.00 0.00 N ATOM 538 NH2 ARG A 34 -5.870 -1.861 6.732 1.00 0.00 N ATOM 0 H ARG A 34 -1.660 -4.022 -0.764 1.00 0.00 H new ATOM 0 HA ARG A 34 -4.056 -2.487 0.020 1.00 0.00 H new ATOM 0 HB2 ARG A 34 -3.467 -4.212 1.851 1.00 0.00 H new ATOM 0 HB3 ARG A 34 -1.989 -3.304 2.100 1.00 0.00 H new ATOM 0 HG2 ARG A 34 -3.159 -1.327 2.763 1.00 0.00 H new ATOM 0 HG3 ARG A 34 -4.655 -1.844 2.009 1.00 0.00 H new ATOM 0 HD2 ARG A 34 -5.073 -3.497 3.717 1.00 0.00 H new ATOM 0 HD3 ARG A 34 -3.429 -3.414 4.316 1.00 0.00 H new ATOM 0 HE ARG A 34 -4.003 -0.970 5.030 1.00 0.00 H new ATOM 0 HH11 ARG A 34 -6.842 -1.726 3.703 1.00 0.00 H new ATOM 0 HH12 ARG A 34 -7.804 -1.817 5.182 1.00 0.00 H new ATOM 0 HH21 ARG A 34 -5.015 -1.873 7.287 1.00 0.00 H new ATOM 0 HH22 ARG A 34 -6.779 -1.900 7.194 1.00 0.00 H new ATOM 552 N ARG A 35 -2.642 -0.546 -0.432 1.00 0.00 N ATOM 553 CA ARG A 35 -1.854 0.698 -0.628 1.00 0.00 C ATOM 554 C ARG A 35 -1.923 1.521 0.662 1.00 0.00 C ATOM 555 O ARG A 35 -2.985 1.734 1.208 1.00 0.00 O ATOM 556 CB ARG A 35 -2.456 1.503 -1.781 1.00 0.00 C ATOM 557 CG ARG A 35 -2.777 0.567 -2.950 1.00 0.00 C ATOM 558 CD ARG A 35 -4.212 0.799 -3.424 1.00 0.00 C ATOM 559 NE ARG A 35 -4.195 1.299 -4.828 1.00 0.00 N ATOM 560 CZ ARG A 35 -3.736 0.539 -5.787 1.00 0.00 C ATOM 561 NH1 ARG A 35 -3.523 -0.730 -5.567 1.00 0.00 N ATOM 562 NH2 ARG A 35 -3.487 1.048 -6.962 1.00 0.00 N ATOM 0 H ARG A 35 -3.606 -0.495 -0.760 1.00 0.00 H new ATOM 0 HA ARG A 35 -0.818 0.456 -0.864 1.00 0.00 H new ATOM 0 HB2 ARG A 35 -3.362 2.010 -1.449 1.00 0.00 H new ATOM 0 HB3 ARG A 35 -1.757 2.275 -2.102 1.00 0.00 H new ATOM 0 HG2 ARG A 35 -2.081 0.743 -3.770 1.00 0.00 H new ATOM 0 HG3 ARG A 35 -2.650 -0.471 -2.642 1.00 0.00 H new ATOM 0 HD2 ARG A 35 -4.781 -0.129 -3.364 1.00 0.00 H new ATOM 0 HD3 ARG A 35 -4.709 1.521 -2.775 1.00 0.00 H new ATOM 0 HE ARG A 35 -4.542 2.234 -5.040 1.00 0.00 H new ATOM 0 HH11 ARG A 35 -3.715 -1.127 -4.647 1.00 0.00 H new ATOM 0 HH12 ARG A 35 -3.165 -1.324 -6.315 1.00 0.00 H new ATOM 0 HH21 ARG A 35 -3.651 2.040 -7.133 1.00 0.00 H new ATOM 0 HH22 ARG A 35 -3.129 0.454 -7.710 1.00 0.00 H new ATOM 576 N GLY A 36 -0.809 1.974 1.163 1.00 0.00 N ATOM 577 CA GLY A 36 -0.836 2.773 2.424 1.00 0.00 C ATOM 578 C GLY A 36 0.286 3.815 2.413 1.00 0.00 C ATOM 579 O GLY A 36 0.835 4.145 1.381 1.00 0.00 O ATOM 0 H GLY A 36 0.116 1.828 0.758 1.00 0.00 H new ATOM 0 HA2 GLY A 36 -1.801 3.268 2.529 1.00 0.00 H new ATOM 0 HA3 GLY A 36 -0.721 2.113 3.284 1.00 0.00 H new ATOM 583 N CYS A 37 0.623 4.341 3.562 1.00 0.00 N ATOM 584 CA CYS A 37 1.700 5.370 3.631 1.00 0.00 C ATOM 585 C CYS A 37 2.915 4.810 4.379 1.00 0.00 C ATOM 586 O CYS A 37 2.869 4.558 5.567 1.00 0.00 O ATOM 587 CB CYS A 37 1.173 6.606 4.363 1.00 0.00 C ATOM 588 SG CYS A 37 -0.545 6.907 3.879 1.00 0.00 S ATOM 0 H CYS A 37 0.197 4.101 4.457 1.00 0.00 H new ATOM 0 HA CYS A 37 2.001 5.642 2.619 1.00 0.00 H new ATOM 0 HB2 CYS A 37 1.238 6.459 5.441 1.00 0.00 H new ATOM 0 HB3 CYS A 37 1.787 7.474 4.122 1.00 0.00 H new ATOM 593 N GLY A 38 3.996 4.605 3.679 1.00 0.00 N ATOM 594 CA GLY A 38 5.223 4.055 4.309 1.00 0.00 C ATOM 595 C GLY A 38 5.637 2.825 3.517 1.00 0.00 C ATOM 596 O GLY A 38 5.321 2.694 2.353 1.00 0.00 O ATOM 0 H GLY A 38 4.080 4.799 2.681 1.00 0.00 H new ATOM 0 HA2 GLY A 38 6.020 4.798 4.306 1.00 0.00 H new ATOM 0 HA3 GLY A 38 5.034 3.794 5.350 1.00 0.00 H new ATOM 600 N CYS A 39 6.329 1.922 4.135 1.00 0.00 N ATOM 601 CA CYS A 39 6.735 0.682 3.414 1.00 0.00 C ATOM 602 C CYS A 39 6.074 -0.522 4.078 1.00 0.00 C ATOM 603 O CYS A 39 5.509 -0.426 5.148 1.00 0.00 O ATOM 604 CB CYS A 39 8.255 0.506 3.445 1.00 0.00 C ATOM 605 SG CYS A 39 9.046 1.893 2.595 1.00 0.00 S ATOM 0 H CYS A 39 6.634 1.982 5.106 1.00 0.00 H new ATOM 0 HA CYS A 39 6.417 0.762 2.375 1.00 0.00 H new ATOM 0 HB2 CYS A 39 8.604 0.452 4.476 1.00 0.00 H new ATOM 0 HB3 CYS A 39 8.532 -0.433 2.965 1.00 0.00 H new ATOM 610 N PHE A 40 6.145 -1.656 3.445 1.00 0.00 N ATOM 611 CA PHE A 40 5.523 -2.880 4.033 1.00 0.00 C ATOM 612 C PHE A 40 6.284 -3.264 5.298 1.00 0.00 C ATOM 613 O PHE A 40 7.206 -2.589 5.710 1.00 0.00 O ATOM 614 CB PHE A 40 5.563 -4.054 3.040 1.00 0.00 C ATOM 615 CG PHE A 40 6.604 -3.798 1.985 1.00 0.00 C ATOM 616 CD1 PHE A 40 7.918 -4.228 2.179 1.00 0.00 C ATOM 617 CD2 PHE A 40 6.254 -3.102 0.825 1.00 0.00 C ATOM 618 CE1 PHE A 40 8.890 -3.962 1.209 1.00 0.00 C ATOM 619 CE2 PHE A 40 7.220 -2.837 -0.152 1.00 0.00 C ATOM 620 CZ PHE A 40 8.542 -3.266 0.039 1.00 0.00 C ATOM 0 H PHE A 40 6.606 -1.793 2.545 1.00 0.00 H new ATOM 0 HA PHE A 40 4.480 -2.663 4.266 1.00 0.00 H new ATOM 0 HB2 PHE A 40 5.788 -4.981 3.568 1.00 0.00 H new ATOM 0 HB3 PHE A 40 4.585 -4.182 2.575 1.00 0.00 H new ATOM 0 HD1 PHE A 40 8.184 -4.766 3.077 1.00 0.00 H new ATOM 0 HD2 PHE A 40 5.237 -2.768 0.682 1.00 0.00 H new ATOM 0 HE1 PHE A 40 9.908 -4.291 1.359 1.00 0.00 H new ATOM 0 HE2 PHE A 40 6.949 -2.304 -1.051 1.00 0.00 H new ATOM 0 HZ PHE A 40 9.291 -3.062 -0.712 1.00 0.00 H new ATOM 630 N THR A 41 5.888 -4.326 5.932 1.00 0.00 N ATOM 631 CA THR A 41 6.578 -4.732 7.190 1.00 0.00 C ATOM 632 C THR A 41 7.731 -5.712 6.931 1.00 0.00 C ATOM 633 O THR A 41 8.813 -5.517 7.448 1.00 0.00 O ATOM 634 CB THR A 41 5.581 -5.375 8.153 1.00 0.00 C ATOM 635 OG1 THR A 41 4.312 -4.749 8.015 1.00 0.00 O ATOM 636 CG2 THR A 41 6.092 -5.198 9.581 1.00 0.00 C ATOM 0 H THR A 41 5.121 -4.931 5.639 1.00 0.00 H new ATOM 0 HA THR A 41 6.997 -3.827 7.630 1.00 0.00 H new ATOM 0 HB THR A 41 5.478 -6.436 7.927 1.00 0.00 H new ATOM 0 HG1 THR A 41 3.674 -5.164 8.632 1.00 0.00 H new ATOM 0 HG21 THR A 41 5.389 -5.653 10.278 1.00 0.00 H new ATOM 0 HG22 THR A 41 7.065 -5.679 9.682 1.00 0.00 H new ATOM 0 HG23 THR A 41 6.188 -4.135 9.804 1.00 0.00 H new ATOM 644 N PRO A 42 7.479 -6.752 6.175 1.00 0.00 N ATOM 645 CA PRO A 42 8.494 -7.770 5.895 1.00 0.00 C ATOM 646 C PRO A 42 9.353 -7.351 4.708 1.00 0.00 C ATOM 647 O PRO A 42 9.665 -8.145 3.843 1.00 0.00 O ATOM 648 CB PRO A 42 7.665 -9.016 5.572 1.00 0.00 C ATOM 649 CG PRO A 42 6.267 -8.510 5.133 1.00 0.00 C ATOM 650 CD PRO A 42 6.185 -7.022 5.526 1.00 0.00 C ATOM 0 HA PRO A 42 9.187 -7.931 6.720 1.00 0.00 H new ATOM 0 HB2 PRO A 42 8.133 -9.599 4.779 1.00 0.00 H new ATOM 0 HB3 PRO A 42 7.587 -9.667 6.443 1.00 0.00 H new ATOM 0 HG2 PRO A 42 6.132 -8.633 4.059 1.00 0.00 H new ATOM 0 HG3 PRO A 42 5.478 -9.082 5.621 1.00 0.00 H new ATOM 0 HD2 PRO A 42 6.036 -6.386 4.653 1.00 0.00 H new ATOM 0 HD3 PRO A 42 5.352 -6.834 6.203 1.00 0.00 H new ATOM 658 N ARG A 43 9.743 -6.109 4.660 1.00 0.00 N ATOM 659 CA ARG A 43 10.590 -5.654 3.524 1.00 0.00 C ATOM 660 C ARG A 43 11.801 -6.565 3.412 1.00 0.00 C ATOM 661 O ARG A 43 12.323 -7.042 4.399 1.00 0.00 O ATOM 662 CB ARG A 43 11.082 -4.233 3.770 1.00 0.00 C ATOM 663 CG ARG A 43 11.678 -4.135 5.175 1.00 0.00 C ATOM 664 CD ARG A 43 12.021 -2.678 5.485 1.00 0.00 C ATOM 665 NE ARG A 43 11.031 -2.130 6.453 1.00 0.00 N ATOM 666 CZ ARG A 43 11.439 -1.614 7.580 1.00 0.00 C ATOM 667 NH1 ARG A 43 11.998 -0.436 7.592 1.00 0.00 N ATOM 668 NH2 ARG A 43 11.288 -2.277 8.694 1.00 0.00 N ATOM 0 H ARG A 43 9.515 -5.395 5.351 1.00 0.00 H new ATOM 0 HA ARG A 43 9.998 -5.683 2.609 1.00 0.00 H new ATOM 0 HB2 ARG A 43 11.831 -3.962 3.026 1.00 0.00 H new ATOM 0 HB3 ARG A 43 10.258 -3.528 3.663 1.00 0.00 H new ATOM 0 HG2 ARG A 43 10.969 -4.517 5.909 1.00 0.00 H new ATOM 0 HG3 ARG A 43 12.573 -4.753 5.245 1.00 0.00 H new ATOM 0 HD2 ARG A 43 13.027 -2.610 5.900 1.00 0.00 H new ATOM 0 HD3 ARG A 43 12.014 -2.089 4.568 1.00 0.00 H new ATOM 0 HE ARG A 43 10.035 -2.158 6.235 1.00 0.00 H new ATOM 0 HH11 ARG A 43 12.116 0.081 6.721 1.00 0.00 H new ATOM 0 HH12 ARG A 43 12.317 -0.032 8.472 1.00 0.00 H new ATOM 0 HH21 ARG A 43 10.851 -3.199 8.684 1.00 0.00 H new ATOM 0 HH22 ARG A 43 11.607 -1.874 9.575 1.00 0.00 H new ATOM 682 N GLY A 44 12.263 -6.809 2.224 1.00 0.00 N ATOM 683 CA GLY A 44 13.442 -7.683 2.075 1.00 0.00 C ATOM 684 C GLY A 44 13.579 -8.129 0.619 1.00 0.00 C ATOM 685 O GLY A 44 12.900 -7.632 -0.259 1.00 0.00 O ATOM 0 H GLY A 44 11.875 -6.441 1.355 1.00 0.00 H new ATOM 0 HA2 GLY A 44 14.341 -7.152 2.388 1.00 0.00 H new ATOM 0 HA3 GLY A 44 13.344 -8.554 2.723 1.00 0.00 H new ATOM 689 N ASP A 45 14.454 -9.059 0.355 1.00 0.00 N ATOM 690 CA ASP A 45 14.639 -9.532 -1.045 1.00 0.00 C ATOM 691 C ASP A 45 13.763 -10.762 -1.303 1.00 0.00 C ATOM 692 O ASP A 45 13.726 -11.282 -2.401 1.00 0.00 O ATOM 693 CB ASP A 45 16.107 -9.898 -1.272 1.00 0.00 C ATOM 694 CG ASP A 45 16.474 -11.099 -0.400 1.00 0.00 C ATOM 695 OD1 ASP A 45 16.897 -10.884 0.724 1.00 0.00 O ATOM 696 OD2 ASP A 45 16.327 -12.215 -0.873 1.00 0.00 O ATOM 0 H ASP A 45 15.049 -9.512 1.049 1.00 0.00 H new ATOM 0 HA ASP A 45 14.349 -8.735 -1.730 1.00 0.00 H new ATOM 0 HB2 ASP A 45 16.276 -10.133 -2.323 1.00 0.00 H new ATOM 0 HB3 ASP A 45 16.746 -9.049 -1.028 1.00 0.00 H new ATOM 701 N MET A 46 13.061 -11.241 -0.311 1.00 0.00 N ATOM 702 CA MET A 46 12.202 -12.441 -0.533 1.00 0.00 C ATOM 703 C MET A 46 10.857 -12.002 -1.121 1.00 0.00 C ATOM 704 O MET A 46 10.433 -12.517 -2.135 1.00 0.00 O ATOM 705 CB MET A 46 11.967 -13.206 0.779 1.00 0.00 C ATOM 706 CG MET A 46 13.009 -12.808 1.830 1.00 0.00 C ATOM 707 SD MET A 46 14.671 -13.041 1.153 1.00 0.00 S ATOM 708 CE MET A 46 15.402 -13.832 2.607 1.00 0.00 C ATOM 0 H MET A 46 13.044 -10.858 0.634 1.00 0.00 H new ATOM 0 HA MET A 46 12.713 -13.107 -1.228 1.00 0.00 H new ATOM 0 HB2 MET A 46 10.965 -12.996 1.154 1.00 0.00 H new ATOM 0 HB3 MET A 46 12.020 -14.279 0.595 1.00 0.00 H new ATOM 0 HG2 MET A 46 12.867 -11.768 2.122 1.00 0.00 H new ATOM 0 HG3 MET A 46 12.883 -13.412 2.729 1.00 0.00 H new ATOM 0 HE1 MET A 46 16.447 -14.067 2.406 1.00 0.00 H new ATOM 0 HE2 MET A 46 15.339 -13.155 3.459 1.00 0.00 H new ATOM 0 HE3 MET A 46 14.860 -14.751 2.832 1.00 0.00 H new ATOM 718 N PRO A 47 10.229 -11.057 -0.469 1.00 0.00 N ATOM 719 CA PRO A 47 8.933 -10.522 -0.905 1.00 0.00 C ATOM 720 C PRO A 47 9.164 -9.448 -1.971 1.00 0.00 C ATOM 721 O PRO A 47 10.279 -9.016 -2.188 1.00 0.00 O ATOM 722 CB PRO A 47 8.352 -9.918 0.378 1.00 0.00 C ATOM 723 CG PRO A 47 9.556 -9.627 1.309 1.00 0.00 C ATOM 724 CD PRO A 47 10.748 -10.435 0.762 1.00 0.00 C ATOM 0 HA PRO A 47 8.269 -11.264 -1.349 1.00 0.00 H new ATOM 0 HB2 PRO A 47 7.799 -9.004 0.161 1.00 0.00 H new ATOM 0 HB3 PRO A 47 7.654 -10.609 0.851 1.00 0.00 H new ATOM 0 HG2 PRO A 47 9.785 -8.561 1.323 1.00 0.00 H new ATOM 0 HG3 PRO A 47 9.330 -9.918 2.335 1.00 0.00 H new ATOM 0 HD2 PRO A 47 11.603 -9.792 0.553 1.00 0.00 H new ATOM 0 HD3 PRO A 47 11.082 -11.186 1.478 1.00 0.00 H new ATOM 732 N GLY A 48 8.135 -9.006 -2.639 1.00 0.00 N ATOM 733 CA GLY A 48 8.336 -7.964 -3.676 1.00 0.00 C ATOM 734 C GLY A 48 7.142 -7.008 -3.725 1.00 0.00 C ATOM 735 O GLY A 48 6.568 -6.800 -4.776 1.00 0.00 O ATOM 0 H GLY A 48 7.173 -9.320 -2.511 1.00 0.00 H new ATOM 0 HA2 GLY A 48 9.247 -7.404 -3.464 1.00 0.00 H new ATOM 0 HA3 GLY A 48 8.471 -8.435 -4.650 1.00 0.00 H new ATOM 739 N PRO A 49 6.810 -6.434 -2.594 1.00 0.00 N ATOM 740 CA PRO A 49 5.700 -5.476 -2.498 1.00 0.00 C ATOM 741 C PRO A 49 6.145 -4.104 -3.019 1.00 0.00 C ATOM 742 O PRO A 49 7.152 -3.994 -3.691 1.00 0.00 O ATOM 743 CB PRO A 49 5.380 -5.446 -1.006 1.00 0.00 C ATOM 744 CG PRO A 49 6.646 -5.943 -0.271 1.00 0.00 C ATOM 745 CD PRO A 49 7.497 -6.688 -1.311 1.00 0.00 C ATOM 0 HA PRO A 49 4.829 -5.749 -3.094 1.00 0.00 H new ATOM 0 HB2 PRO A 49 5.118 -4.437 -0.687 1.00 0.00 H new ATOM 0 HB3 PRO A 49 4.526 -6.084 -0.780 1.00 0.00 H new ATOM 0 HG2 PRO A 49 7.200 -5.106 0.154 1.00 0.00 H new ATOM 0 HG3 PRO A 49 6.380 -6.602 0.555 1.00 0.00 H new ATOM 0 HD2 PRO A 49 8.521 -6.315 -1.328 1.00 0.00 H new ATOM 0 HD3 PRO A 49 7.549 -7.754 -1.092 1.00 0.00 H new ATOM 753 N TYR A 50 5.402 -3.058 -2.754 1.00 0.00 N ATOM 754 CA TYR A 50 5.813 -1.726 -3.293 1.00 0.00 C ATOM 755 C TYR A 50 5.807 -0.625 -2.218 1.00 0.00 C ATOM 756 O TYR A 50 4.859 -0.452 -1.483 1.00 0.00 O ATOM 757 CB TYR A 50 4.849 -1.326 -4.412 1.00 0.00 C ATOM 758 CG TYR A 50 5.518 -1.521 -5.752 1.00 0.00 C ATOM 759 CD1 TYR A 50 6.372 -0.532 -6.258 1.00 0.00 C ATOM 760 CD2 TYR A 50 5.284 -2.688 -6.489 1.00 0.00 C ATOM 761 CE1 TYR A 50 6.991 -0.713 -7.501 1.00 0.00 C ATOM 762 CE2 TYR A 50 5.902 -2.869 -7.731 1.00 0.00 C ATOM 763 CZ TYR A 50 6.756 -1.881 -8.238 1.00 0.00 C ATOM 764 OH TYR A 50 7.367 -2.060 -9.463 1.00 0.00 O ATOM 0 H TYR A 50 4.546 -3.067 -2.199 1.00 0.00 H new ATOM 0 HA TYR A 50 6.834 -1.822 -3.662 1.00 0.00 H new ATOM 0 HB2 TYR A 50 3.942 -1.928 -4.356 1.00 0.00 H new ATOM 0 HB3 TYR A 50 4.549 -0.285 -4.292 1.00 0.00 H new ATOM 0 HD1 TYR A 50 6.553 0.369 -5.690 1.00 0.00 H new ATOM 0 HD2 TYR A 50 4.625 -3.450 -6.098 1.00 0.00 H new ATOM 0 HE1 TYR A 50 7.650 0.048 -7.892 1.00 0.00 H new ATOM 0 HE2 TYR A 50 5.721 -3.770 -8.299 1.00 0.00 H new ATOM 0 HH TYR A 50 7.097 -2.923 -9.840 1.00 0.00 H new ATOM 774 N CYS A 51 6.855 0.158 -2.188 1.00 0.00 N ATOM 775 CA CYS A 51 6.949 1.314 -1.243 1.00 0.00 C ATOM 776 C CYS A 51 7.575 2.460 -2.026 1.00 0.00 C ATOM 777 O CYS A 51 8.460 2.257 -2.833 1.00 0.00 O ATOM 778 CB CYS A 51 7.853 1.007 -0.055 1.00 0.00 C ATOM 779 SG CYS A 51 7.748 2.378 1.125 1.00 0.00 S ATOM 0 H CYS A 51 7.668 0.042 -2.793 1.00 0.00 H new ATOM 0 HA CYS A 51 5.957 1.547 -0.857 1.00 0.00 H new ATOM 0 HB2 CYS A 51 7.548 0.075 0.421 1.00 0.00 H new ATOM 0 HB3 CYS A 51 8.882 0.873 -0.388 1.00 0.00 H new ATOM 784 N CYS A 52 7.137 3.653 -1.804 1.00 0.00 N ATOM 785 CA CYS A 52 7.739 4.808 -2.563 1.00 0.00 C ATOM 786 C CYS A 52 7.435 6.128 -1.862 1.00 0.00 C ATOM 787 O CYS A 52 6.361 6.329 -1.334 1.00 0.00 O ATOM 788 CB CYS A 52 7.199 4.884 -4.005 1.00 0.00 C ATOM 789 SG CYS A 52 6.099 3.495 -4.375 1.00 0.00 S ATOM 0 H CYS A 52 6.399 3.896 -1.143 1.00 0.00 H new ATOM 0 HA CYS A 52 8.815 4.639 -2.594 1.00 0.00 H new ATOM 0 HB2 CYS A 52 6.662 5.822 -4.145 1.00 0.00 H new ATOM 0 HB3 CYS A 52 8.033 4.886 -4.707 1.00 0.00 H new ATOM 794 N GLU A 53 8.383 7.033 -1.860 1.00 0.00 N ATOM 795 CA GLU A 53 8.168 8.347 -1.190 1.00 0.00 C ATOM 796 C GLU A 53 7.438 9.318 -2.117 1.00 0.00 C ATOM 797 O GLU A 53 7.189 10.452 -1.761 1.00 0.00 O ATOM 798 CB GLU A 53 9.512 8.946 -0.775 1.00 0.00 C ATOM 799 CG GLU A 53 10.495 7.828 -0.414 1.00 0.00 C ATOM 800 CD GLU A 53 11.614 7.774 -1.455 1.00 0.00 C ATOM 801 OE1 GLU A 53 11.328 8.008 -2.618 1.00 0.00 O ATOM 802 OE2 GLU A 53 12.740 7.500 -1.072 1.00 0.00 O ATOM 0 H GLU A 53 9.298 6.915 -2.295 1.00 0.00 H new ATOM 0 HA GLU A 53 7.553 8.183 -0.305 1.00 0.00 H new ATOM 0 HB2 GLU A 53 9.917 9.549 -1.588 1.00 0.00 H new ATOM 0 HB3 GLU A 53 9.375 9.611 0.078 1.00 0.00 H new ATOM 0 HG2 GLU A 53 10.914 8.004 0.577 1.00 0.00 H new ATOM 0 HG3 GLU A 53 9.975 6.871 -0.374 1.00 0.00 H new ATOM 809 N SER A 54 7.075 8.890 -3.291 1.00 0.00 N ATOM 810 CA SER A 54 6.345 9.808 -4.210 1.00 0.00 C ATOM 811 C SER A 54 4.859 9.782 -3.847 1.00 0.00 C ATOM 812 O SER A 54 4.343 8.783 -3.381 1.00 0.00 O ATOM 813 CB SER A 54 6.531 9.347 -5.653 1.00 0.00 C ATOM 814 OG SER A 54 7.397 8.220 -5.680 1.00 0.00 O ATOM 0 H SER A 54 7.249 7.953 -3.654 1.00 0.00 H new ATOM 0 HA SER A 54 6.735 10.821 -4.111 1.00 0.00 H new ATOM 0 HB2 SER A 54 5.567 9.089 -6.091 1.00 0.00 H new ATOM 0 HB3 SER A 54 6.949 10.155 -6.254 1.00 0.00 H new ATOM 0 HG SER A 54 7.516 7.921 -6.606 1.00 0.00 H new ATOM 820 N ASP A 55 4.160 10.864 -4.049 1.00 0.00 N ATOM 821 CA ASP A 55 2.716 10.868 -3.697 1.00 0.00 C ATOM 822 C ASP A 55 1.958 9.963 -4.661 1.00 0.00 C ATOM 823 O ASP A 55 2.330 9.797 -5.805 1.00 0.00 O ATOM 824 CB ASP A 55 2.139 12.281 -3.794 1.00 0.00 C ATOM 825 CG ASP A 55 3.048 13.275 -3.075 1.00 0.00 C ATOM 826 OD1 ASP A 55 4.170 13.451 -3.518 1.00 0.00 O ATOM 827 OD2 ASP A 55 2.602 13.847 -2.089 1.00 0.00 O ATOM 0 H ASP A 55 4.522 11.735 -4.438 1.00 0.00 H new ATOM 0 HA ASP A 55 2.610 10.509 -2.673 1.00 0.00 H new ATOM 0 HB2 ASP A 55 2.032 12.567 -4.841 1.00 0.00 H new ATOM 0 HB3 ASP A 55 1.142 12.305 -3.354 1.00 0.00 H new ATOM 832 N LYS A 56 0.890 9.386 -4.200 1.00 0.00 N ATOM 833 CA LYS A 56 0.081 8.490 -5.075 1.00 0.00 C ATOM 834 C LYS A 56 0.974 7.413 -5.699 1.00 0.00 C ATOM 835 O LYS A 56 0.684 6.902 -6.763 1.00 0.00 O ATOM 836 CB LYS A 56 -0.560 9.318 -6.191 1.00 0.00 C ATOM 837 CG LYS A 56 -1.092 10.630 -5.614 1.00 0.00 C ATOM 838 CD LYS A 56 -2.202 11.172 -6.518 1.00 0.00 C ATOM 839 CE LYS A 56 -1.823 12.572 -7.009 1.00 0.00 C ATOM 840 NZ LYS A 56 -1.981 13.550 -5.897 1.00 0.00 N ATOM 0 H LYS A 56 0.537 9.495 -3.249 1.00 0.00 H new ATOM 0 HA LYS A 56 -0.691 8.010 -4.474 1.00 0.00 H new ATOM 0 HB2 LYS A 56 0.172 9.523 -6.972 1.00 0.00 H new ATOM 0 HB3 LYS A 56 -1.372 8.757 -6.654 1.00 0.00 H new ATOM 0 HG2 LYS A 56 -1.475 10.468 -4.607 1.00 0.00 H new ATOM 0 HG3 LYS A 56 -0.285 11.358 -5.534 1.00 0.00 H new ATOM 0 HD2 LYS A 56 -2.352 10.505 -7.367 1.00 0.00 H new ATOM 0 HD3 LYS A 56 -3.145 11.209 -5.972 1.00 0.00 H new ATOM 0 HE2 LYS A 56 -0.794 12.577 -7.368 1.00 0.00 H new ATOM 0 HE3 LYS A 56 -2.455 12.857 -7.850 1.00 0.00 H new ATOM 0 HZ1 LYS A 56 -1.723 14.500 -6.231 1.00 0.00 H new ATOM 0 HZ2 LYS A 56 -2.970 13.553 -5.575 1.00 0.00 H new ATOM 0 HZ3 LYS A 56 -1.360 13.281 -5.107 1.00 0.00 H new ATOM 854 N CYS A 57 2.057 7.062 -5.060 1.00 0.00 N ATOM 855 CA CYS A 57 2.948 6.019 -5.646 1.00 0.00 C ATOM 856 C CYS A 57 2.178 4.697 -5.780 1.00 0.00 C ATOM 857 O CYS A 57 2.432 3.915 -6.674 1.00 0.00 O ATOM 858 CB CYS A 57 4.202 5.846 -4.751 1.00 0.00 C ATOM 859 SG CYS A 57 4.258 4.205 -3.959 1.00 0.00 S ATOM 0 H CYS A 57 2.362 7.448 -4.166 1.00 0.00 H new ATOM 0 HA CYS A 57 3.274 6.326 -6.640 1.00 0.00 H new ATOM 0 HB2 CYS A 57 5.099 5.988 -5.353 1.00 0.00 H new ATOM 0 HB3 CYS A 57 4.208 6.619 -3.983 1.00 0.00 H new ATOM 864 N ASN A 58 1.264 4.424 -4.887 1.00 0.00 N ATOM 865 CA ASN A 58 0.530 3.136 -4.971 1.00 0.00 C ATOM 866 C ASN A 58 -0.707 3.257 -5.866 1.00 0.00 C ATOM 867 O ASN A 58 -1.685 2.564 -5.673 1.00 0.00 O ATOM 868 CB ASN A 58 0.106 2.659 -3.577 1.00 0.00 C ATOM 869 CG ASN A 58 -0.149 3.845 -2.642 1.00 0.00 C ATOM 870 OD1 ASN A 58 -0.356 4.955 -3.092 1.00 0.00 O ATOM 871 ND2 ASN A 58 -0.127 3.657 -1.345 1.00 0.00 N ATOM 0 H ASN A 58 0.999 5.032 -4.112 1.00 0.00 H new ATOM 0 HA ASN A 58 1.209 2.405 -5.410 1.00 0.00 H new ATOM 0 HB2 ASN A 58 -0.797 2.053 -3.656 1.00 0.00 H new ATOM 0 HB3 ASN A 58 0.883 2.020 -3.156 1.00 0.00 H new ATOM 0 HD21 ASN A 58 -0.284 4.442 -0.713 1.00 0.00 H new ATOM 0 HD22 ASN A 58 0.047 2.725 -0.968 1.00 0.00 H new ATOM 878 N LEU A 59 -0.673 4.105 -6.856 1.00 0.00 N ATOM 879 CA LEU A 59 -1.850 4.223 -7.762 1.00 0.00 C ATOM 880 C LEU A 59 -1.429 3.826 -9.177 1.00 0.00 C ATOM 881 O LEU A 59 -2.077 2.963 -9.747 1.00 0.00 O ATOM 882 CB LEU A 59 -2.368 5.663 -7.766 1.00 0.00 C ATOM 883 CG LEU A 59 -3.664 5.742 -8.580 1.00 0.00 C ATOM 884 CD1 LEU A 59 -3.350 5.629 -10.073 1.00 0.00 C ATOM 885 CD2 LEU A 59 -4.597 4.601 -8.164 1.00 0.00 C ATOM 886 OXT LEU A 59 -0.464 4.389 -9.666 1.00 0.00 O ATOM 0 H LEU A 59 0.112 4.717 -7.076 1.00 0.00 H new ATOM 0 HA LEU A 59 -2.645 3.565 -7.412 1.00 0.00 H new ATOM 0 HB2 LEU A 59 -2.548 5.998 -6.744 1.00 0.00 H new ATOM 0 HB3 LEU A 59 -1.618 6.329 -8.193 1.00 0.00 H new ATOM 0 HG LEU A 59 -4.150 6.699 -8.390 1.00 0.00 H new ATOM 0 HD11 LEU A 59 -4.276 5.686 -10.645 1.00 0.00 H new ATOM 0 HD12 LEU A 59 -2.690 6.445 -10.369 1.00 0.00 H new ATOM 0 HD13 LEU A 59 -2.860 4.676 -10.271 1.00 0.00 H new ATOM 0 HD21 LEU A 59 -5.519 4.656 -8.742 1.00 0.00 H new ATOM 0 HD22 LEU A 59 -4.108 3.645 -8.351 1.00 0.00 H new ATOM 0 HD23 LEU A 59 -4.829 4.689 -7.103 1.00 0.00 H new