USER MOD reduce.3.24.130724 H: found=0, std=0, add=431, rem=0, adj=14 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 9 THR OG1 : rot 180:sc= 0.0887 USER MOD Set 1.2: A 31 ASN : amide:sc= -4.61! C(o=-4.5!,f=-13!) USER MOD Single : A 1 ARG N :NH3+ 130:sc= 0.398 (180deg=-0.584!) USER MOD Single : A 4 TYR OH : rot 30:sc= -2.68! USER MOD Single : A 5 ASN :FLIP amide:sc= -1.59! C(o=-3.4!,f=-1.6!) USER MOD Single : A 6 HIS : no HD1:sc= -5.16! C(o=-5.2!,f=-12!) USER MOD Single : A 10 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 13 THR OG1 : rot 180:sc= 0 USER MOD Single : A 14 THR OG1 : rot 180:sc= 0.00144 USER MOD Single : A 16 THR OG1 : rot 180:sc= 0 USER MOD Single : A 18 GLN : amide:sc= -1.63! X(o=-1.6!,f=-2.1) USER MOD Single : A 21 SER OG : rot 180:sc= -0.683 USER MOD Single : A 23 TYR OH : rot 180:sc= 0.228 USER MOD Single : A 24 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 25 ASN :FLIP amide:sc= -1.87 F(o=-3.5!,f=-1.9) USER MOD Single : A 28 THR OG1 : rot 180:sc= 0 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 40:sc= -2.37! USER MOD Single : A 56 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 58 ASN : amide:sc= -6.95! C(o=-7!,f=-25!) USER MOD ----------------------------------------------------------------- ATOM 1 N ARG A 1 1.912 13.398 4.337 1.00 0.00 N ATOM 2 CA ARG A 1 1.866 13.230 2.860 1.00 0.00 C ATOM 3 C ARG A 1 0.564 12.523 2.461 1.00 0.00 C ATOM 4 O ARG A 1 -0.277 12.243 3.293 1.00 0.00 O ATOM 5 CB ARG A 1 3.061 12.390 2.411 1.00 0.00 C ATOM 6 CG ARG A 1 3.637 12.974 1.122 1.00 0.00 C ATOM 7 CD ARG A 1 3.691 11.883 0.047 1.00 0.00 C ATOM 8 NE ARG A 1 4.929 12.026 -0.779 1.00 0.00 N ATOM 9 CZ ARG A 1 5.561 13.172 -0.847 1.00 0.00 C ATOM 10 NH1 ARG A 1 4.894 14.294 -0.840 1.00 0.00 N ATOM 11 NH2 ARG A 1 6.864 13.190 -0.924 1.00 0.00 N ATOM 0 H1 ARG A 1 2.825 13.054 4.697 1.00 0.00 H new ATOM 0 H2 ARG A 1 1.802 14.404 4.576 1.00 0.00 H new ATOM 0 H3 ARG A 1 1.141 12.853 4.773 1.00 0.00 H new ATOM 0 HA ARG A 1 1.905 14.208 2.381 1.00 0.00 H new ATOM 0 HB2 ARG A 1 3.823 12.377 3.190 1.00 0.00 H new ATOM 0 HB3 ARG A 1 2.753 11.357 2.249 1.00 0.00 H new ATOM 0 HG2 ARG A 1 3.022 13.806 0.780 1.00 0.00 H new ATOM 0 HG3 ARG A 1 4.636 13.370 1.304 1.00 0.00 H new ATOM 0 HD2 ARG A 1 3.671 10.900 0.517 1.00 0.00 H new ATOM 0 HD3 ARG A 1 2.810 11.949 -0.592 1.00 0.00 H new ATOM 0 HE ARG A 1 5.286 11.222 -1.296 1.00 0.00 H new ATOM 0 HH11 ARG A 1 3.876 14.282 -0.781 1.00 0.00 H new ATOM 0 HH12 ARG A 1 5.391 15.183 -0.893 1.00 0.00 H new ATOM 0 HH21 ARG A 1 7.387 12.314 -0.931 1.00 0.00 H new ATOM 0 HH22 ARG A 1 7.359 14.080 -0.977 1.00 0.00 H new ATOM 27 N ILE A 2 0.385 12.227 1.196 1.00 0.00 N ATOM 28 CA ILE A 2 -0.870 11.537 0.764 1.00 0.00 C ATOM 29 C ILE A 2 -0.543 10.366 -0.137 1.00 0.00 C ATOM 30 O ILE A 2 -0.075 10.538 -1.241 1.00 0.00 O ATOM 31 CB ILE A 2 -1.754 12.493 -0.022 1.00 0.00 C ATOM 32 CG1 ILE A 2 -1.963 13.741 0.815 1.00 0.00 C ATOM 33 CG2 ILE A 2 -3.099 11.818 -0.315 1.00 0.00 C ATOM 34 CD1 ILE A 2 -1.477 14.968 0.043 1.00 0.00 C ATOM 0 H ILE A 2 1.049 12.432 0.449 1.00 0.00 H new ATOM 0 HA ILE A 2 -1.386 11.193 1.660 1.00 0.00 H new ATOM 0 HB ILE A 2 -1.285 12.759 -0.970 1.00 0.00 H new ATOM 0 HG12 ILE A 2 -3.019 13.851 1.064 1.00 0.00 H new ATOM 0 HG13 ILE A 2 -1.421 13.654 1.757 1.00 0.00 H new ATOM 0 HG21 ILE A 2 -3.734 12.502 -0.878 1.00 0.00 H new ATOM 0 HG22 ILE A 2 -2.932 10.913 -0.899 1.00 0.00 H new ATOM 0 HG23 ILE A 2 -3.588 11.559 0.624 1.00 0.00 H new ATOM 0 HD11 ILE A 2 -1.629 15.862 0.648 1.00 0.00 H new ATOM 0 HD12 ILE A 2 -0.416 14.859 -0.183 1.00 0.00 H new ATOM 0 HD13 ILE A 2 -2.039 15.059 -0.887 1.00 0.00 H new ATOM 46 N CYS A 3 -0.809 9.175 0.297 1.00 0.00 N ATOM 47 CA CYS A 3 -0.520 8.026 -0.588 1.00 0.00 C ATOM 48 C CYS A 3 -1.833 7.376 -1.012 1.00 0.00 C ATOM 49 O CYS A 3 -2.888 7.955 -0.869 1.00 0.00 O ATOM 50 CB CYS A 3 0.372 7.012 0.126 1.00 0.00 C ATOM 51 SG CYS A 3 1.991 7.758 0.427 1.00 0.00 S ATOM 0 H CYS A 3 -1.207 8.949 1.209 1.00 0.00 H new ATOM 0 HA CYS A 3 0.011 8.378 -1.473 1.00 0.00 H new ATOM 0 HB2 CYS A 3 -0.083 6.709 1.069 1.00 0.00 H new ATOM 0 HB3 CYS A 3 0.479 6.113 -0.480 1.00 0.00 H new ATOM 56 N TYR A 4 -1.789 6.188 -1.545 1.00 0.00 N ATOM 57 CA TYR A 4 -3.062 5.547 -1.971 1.00 0.00 C ATOM 58 C TYR A 4 -3.493 4.502 -0.940 1.00 0.00 C ATOM 59 O TYR A 4 -2.677 3.794 -0.380 1.00 0.00 O ATOM 60 CB TYR A 4 -2.892 4.871 -3.334 1.00 0.00 C ATOM 61 CG TYR A 4 -3.406 5.783 -4.421 1.00 0.00 C ATOM 62 CD1 TYR A 4 -4.783 6.001 -4.568 1.00 0.00 C ATOM 63 CD2 TYR A 4 -2.504 6.405 -5.289 1.00 0.00 C ATOM 64 CE1 TYR A 4 -5.252 6.844 -5.583 1.00 0.00 C ATOM 65 CE2 TYR A 4 -2.972 7.245 -6.305 1.00 0.00 C ATOM 66 CZ TYR A 4 -4.346 7.465 -6.453 1.00 0.00 C ATOM 67 OH TYR A 4 -4.808 8.293 -7.455 1.00 0.00 O ATOM 0 H TYR A 4 -0.942 5.641 -1.702 1.00 0.00 H new ATOM 0 HA TYR A 4 -3.826 6.321 -2.049 1.00 0.00 H new ATOM 0 HB2 TYR A 4 -1.841 4.639 -3.507 1.00 0.00 H new ATOM 0 HB3 TYR A 4 -3.434 3.926 -3.352 1.00 0.00 H new ATOM 0 HD1 TYR A 4 -5.481 5.519 -3.899 1.00 0.00 H new ATOM 0 HD2 TYR A 4 -1.443 6.237 -5.175 1.00 0.00 H new ATOM 0 HE1 TYR A 4 -6.312 7.016 -5.695 1.00 0.00 H new ATOM 0 HE2 TYR A 4 -2.273 7.724 -6.975 1.00 0.00 H new ATOM 0 HH TYR A 4 -5.643 8.718 -7.169 1.00 0.00 H new ATOM 77 N ASN A 5 -4.773 4.408 -0.688 1.00 0.00 N ATOM 78 CA ASN A 5 -5.278 3.413 0.304 1.00 0.00 C ATOM 79 C ASN A 5 -6.112 2.343 -0.411 1.00 0.00 C ATOM 80 O ASN A 5 -6.795 1.559 0.216 1.00 0.00 O ATOM 81 CB ASN A 5 -6.159 4.128 1.331 1.00 0.00 C ATOM 82 CG ASN A 5 -6.781 3.102 2.277 1.00 0.00 C ATOM 83 OD1 ASN A 5 -6.150 1.986 2.514 1.00 0.00 O flip ATOM 84 ND2 ASN A 5 -7.853 3.318 2.807 1.00 0.00 N flip ATOM 0 H ASN A 5 -5.493 4.980 -1.129 1.00 0.00 H new ATOM 0 HA ASN A 5 -4.431 2.941 0.802 1.00 0.00 H new ATOM 0 HB2 ASN A 5 -5.565 4.846 1.897 1.00 0.00 H new ATOM 0 HB3 ASN A 5 -6.942 4.691 0.824 1.00 0.00 H new ATOM 0 HD21 ASN A 5 -8.347 4.191 2.622 1.00 0.00 H new ATOM 0 HD22 ASN A 5 -8.259 2.626 3.437 1.00 0.00 H new ATOM 91 N HIS A 6 -6.080 2.311 -1.716 1.00 0.00 N ATOM 92 CA HIS A 6 -6.895 1.298 -2.447 1.00 0.00 C ATOM 93 C HIS A 6 -6.461 -0.111 -2.047 1.00 0.00 C ATOM 94 O HIS A 6 -5.292 -0.438 -2.006 1.00 0.00 O ATOM 95 CB HIS A 6 -6.749 1.509 -3.959 1.00 0.00 C ATOM 96 CG HIS A 6 -6.898 0.207 -4.708 1.00 0.00 C ATOM 97 ND1 HIS A 6 -6.151 -0.084 -5.837 1.00 0.00 N ATOM 98 CD2 HIS A 6 -7.706 -0.884 -4.501 1.00 0.00 C ATOM 99 CE1 HIS A 6 -6.521 -1.306 -6.264 1.00 0.00 C ATOM 100 NE2 HIS A 6 -7.465 -1.839 -5.485 1.00 0.00 N ATOM 0 H HIS A 6 -5.530 2.937 -2.304 1.00 0.00 H new ATOM 0 HA HIS A 6 -7.945 1.418 -2.182 1.00 0.00 H new ATOM 0 HB2 HIS A 6 -7.501 2.218 -4.304 1.00 0.00 H new ATOM 0 HB3 HIS A 6 -5.775 1.947 -4.175 1.00 0.00 H new ATOM 0 HD2 HIS A 6 -8.420 -0.986 -3.697 1.00 0.00 H new ATOM 0 HE1 HIS A 6 -6.104 -1.796 -7.132 1.00 0.00 H new ATOM 0 HE2 HIS A 6 -7.913 -2.749 -5.588 1.00 0.00 H new ATOM 108 N LEU A 7 -7.420 -0.938 -1.754 1.00 0.00 N ATOM 109 CA LEU A 7 -7.120 -2.343 -1.350 1.00 0.00 C ATOM 110 C LEU A 7 -7.477 -3.309 -2.486 1.00 0.00 C ATOM 111 O LEU A 7 -8.600 -3.327 -2.947 1.00 0.00 O ATOM 112 CB LEU A 7 -7.936 -2.694 -0.105 1.00 0.00 C ATOM 113 CG LEU A 7 -7.316 -2.017 1.118 1.00 0.00 C ATOM 114 CD1 LEU A 7 -8.262 -0.931 1.637 1.00 0.00 C ATOM 115 CD2 LEU A 7 -7.085 -3.058 2.215 1.00 0.00 C ATOM 0 H LEU A 7 -8.412 -0.701 -1.776 1.00 0.00 H new ATOM 0 HA LEU A 7 -6.056 -2.433 -1.133 1.00 0.00 H new ATOM 0 HB2 LEU A 7 -8.969 -2.368 -0.230 1.00 0.00 H new ATOM 0 HB3 LEU A 7 -7.958 -3.775 0.036 1.00 0.00 H new ATOM 0 HG LEU A 7 -6.364 -1.566 0.838 1.00 0.00 H new ATOM 0 HD11 LEU A 7 -7.819 -0.449 2.509 1.00 0.00 H new ATOM 0 HD12 LEU A 7 -8.427 -0.188 0.856 1.00 0.00 H new ATOM 0 HD13 LEU A 7 -9.215 -1.381 1.916 1.00 0.00 H new ATOM 0 HD21 LEU A 7 -6.643 -2.576 3.087 1.00 0.00 H new ATOM 0 HD22 LEU A 7 -8.037 -3.510 2.494 1.00 0.00 H new ATOM 0 HD23 LEU A 7 -6.410 -3.831 1.847 1.00 0.00 H new ATOM 127 N GLY A 8 -6.524 -4.111 -2.914 1.00 0.00 N ATOM 128 CA GLY A 8 -6.747 -5.117 -4.013 1.00 0.00 C ATOM 129 C GLY A 8 -8.178 -5.077 -4.570 1.00 0.00 C ATOM 130 O GLY A 8 -8.466 -4.376 -5.520 1.00 0.00 O ATOM 0 H GLY A 8 -5.576 -4.110 -2.538 1.00 0.00 H new ATOM 0 HA2 GLY A 8 -6.041 -4.928 -4.822 1.00 0.00 H new ATOM 0 HA3 GLY A 8 -6.537 -6.117 -3.633 1.00 0.00 H new ATOM 134 N THR A 9 -9.071 -5.846 -3.999 1.00 0.00 N ATOM 135 CA THR A 9 -10.478 -5.878 -4.507 1.00 0.00 C ATOM 136 C THR A 9 -11.336 -4.835 -3.787 1.00 0.00 C ATOM 137 O THR A 9 -12.258 -4.282 -4.354 1.00 0.00 O ATOM 138 CB THR A 9 -11.069 -7.270 -4.267 1.00 0.00 C ATOM 139 OG1 THR A 9 -10.131 -8.063 -3.552 1.00 0.00 O ATOM 140 CG2 THR A 9 -11.385 -7.933 -5.609 1.00 0.00 C ATOM 0 H THR A 9 -8.886 -6.454 -3.201 1.00 0.00 H new ATOM 0 HA THR A 9 -10.471 -5.651 -5.573 1.00 0.00 H new ATOM 0 HB THR A 9 -11.987 -7.180 -3.686 1.00 0.00 H new ATOM 0 HG1 THR A 9 -10.508 -8.954 -3.396 1.00 0.00 H new ATOM 0 HG21 THR A 9 -11.805 -8.924 -5.435 1.00 0.00 H new ATOM 0 HG22 THR A 9 -12.105 -7.324 -6.155 1.00 0.00 H new ATOM 0 HG23 THR A 9 -10.470 -8.025 -6.194 1.00 0.00 H new ATOM 148 N LYS A 10 -11.052 -4.566 -2.543 1.00 0.00 N ATOM 149 CA LYS A 10 -11.856 -3.558 -1.791 1.00 0.00 C ATOM 150 C LYS A 10 -11.975 -2.280 -2.634 1.00 0.00 C ATOM 151 O LYS A 10 -11.451 -2.220 -3.728 1.00 0.00 O ATOM 152 CB LYS A 10 -11.150 -3.261 -0.465 1.00 0.00 C ATOM 153 CG LYS A 10 -12.040 -3.707 0.701 1.00 0.00 C ATOM 154 CD LYS A 10 -12.533 -5.135 0.453 1.00 0.00 C ATOM 155 CE LYS A 10 -14.063 -5.153 0.454 1.00 0.00 C ATOM 156 NZ LYS A 10 -14.546 -6.266 1.320 1.00 0.00 N ATOM 0 H LYS A 10 -10.297 -5.001 -2.013 1.00 0.00 H new ATOM 0 HA LYS A 10 -12.857 -3.939 -1.588 1.00 0.00 H new ATOM 0 HB2 LYS A 10 -10.193 -3.782 -0.426 1.00 0.00 H new ATOM 0 HB3 LYS A 10 -10.936 -2.195 -0.386 1.00 0.00 H new ATOM 0 HG2 LYS A 10 -11.482 -3.661 1.636 1.00 0.00 H new ATOM 0 HG3 LYS A 10 -12.889 -3.031 0.803 1.00 0.00 H new ATOM 0 HD2 LYS A 10 -12.155 -5.501 -0.501 1.00 0.00 H new ATOM 0 HD3 LYS A 10 -12.150 -5.803 1.225 1.00 0.00 H new ATOM 0 HE2 LYS A 10 -14.448 -4.201 0.819 1.00 0.00 H new ATOM 0 HE3 LYS A 10 -14.437 -5.280 -0.562 1.00 0.00 H new ATOM 0 HZ1 LYS A 10 -15.586 -6.279 1.321 1.00 0.00 H new ATOM 0 HZ2 LYS A 10 -14.189 -7.171 0.953 1.00 0.00 H new ATOM 0 HZ3 LYS A 10 -14.201 -6.125 2.291 1.00 0.00 H new ATOM 170 N PRO A 11 -12.657 -1.288 -2.112 1.00 0.00 N ATOM 171 CA PRO A 11 -12.846 -0.014 -2.827 1.00 0.00 C ATOM 172 C PRO A 11 -11.535 0.782 -2.821 1.00 0.00 C ATOM 173 O PRO A 11 -10.882 0.887 -1.803 1.00 0.00 O ATOM 174 CB PRO A 11 -13.955 0.689 -2.034 1.00 0.00 C ATOM 175 CG PRO A 11 -13.960 0.047 -0.629 1.00 0.00 C ATOM 176 CD PRO A 11 -13.286 -1.330 -0.773 1.00 0.00 C ATOM 0 HA PRO A 11 -13.117 -0.131 -3.876 1.00 0.00 H new ATOM 0 HB2 PRO A 11 -13.767 1.761 -1.971 1.00 0.00 H new ATOM 0 HB3 PRO A 11 -14.921 0.563 -2.522 1.00 0.00 H new ATOM 0 HG2 PRO A 11 -13.420 0.670 0.084 1.00 0.00 H new ATOM 0 HG3 PRO A 11 -14.978 -0.057 -0.254 1.00 0.00 H new ATOM 0 HD2 PRO A 11 -12.546 -1.495 0.010 1.00 0.00 H new ATOM 0 HD3 PRO A 11 -14.013 -2.139 -0.700 1.00 0.00 H new ATOM 184 N PRO A 12 -11.174 1.293 -3.974 1.00 0.00 N ATOM 185 CA PRO A 12 -9.925 2.054 -4.144 1.00 0.00 C ATOM 186 C PRO A 12 -10.058 3.478 -3.599 1.00 0.00 C ATOM 187 O PRO A 12 -10.845 4.269 -4.080 1.00 0.00 O ATOM 188 CB PRO A 12 -9.715 2.067 -5.660 1.00 0.00 C ATOM 189 CG PRO A 12 -11.106 1.828 -6.294 1.00 0.00 C ATOM 190 CD PRO A 12 -11.975 1.167 -5.209 1.00 0.00 C ATOM 0 HA PRO A 12 -9.090 1.612 -3.601 1.00 0.00 H new ATOM 0 HB2 PRO A 12 -9.298 3.020 -5.986 1.00 0.00 H new ATOM 0 HB3 PRO A 12 -9.012 1.291 -5.962 1.00 0.00 H new ATOM 0 HG2 PRO A 12 -11.548 2.768 -6.625 1.00 0.00 H new ATOM 0 HG3 PRO A 12 -11.027 1.186 -7.172 1.00 0.00 H new ATOM 0 HD2 PRO A 12 -12.938 1.667 -5.111 1.00 0.00 H new ATOM 0 HD3 PRO A 12 -12.181 0.123 -5.445 1.00 0.00 H new ATOM 198 N THR A 13 -9.277 3.809 -2.608 1.00 0.00 N ATOM 199 CA THR A 13 -9.331 5.184 -2.033 1.00 0.00 C ATOM 200 C THR A 13 -7.912 5.616 -1.676 1.00 0.00 C ATOM 201 O THR A 13 -7.096 4.812 -1.274 1.00 0.00 O ATOM 202 CB THR A 13 -10.204 5.207 -0.772 1.00 0.00 C ATOM 203 OG1 THR A 13 -9.596 6.042 0.207 1.00 0.00 O ATOM 204 CG2 THR A 13 -10.356 3.791 -0.208 1.00 0.00 C ATOM 0 H THR A 13 -8.601 3.184 -2.169 1.00 0.00 H new ATOM 0 HA THR A 13 -9.765 5.865 -2.765 1.00 0.00 H new ATOM 0 HB THR A 13 -11.190 5.595 -1.029 1.00 0.00 H new ATOM 0 HG1 THR A 13 -10.153 6.060 1.013 1.00 0.00 H new ATOM 0 HG21 THR A 13 -10.978 3.821 0.687 1.00 0.00 H new ATOM 0 HG22 THR A 13 -10.825 3.150 -0.955 1.00 0.00 H new ATOM 0 HG23 THR A 13 -9.373 3.393 0.046 1.00 0.00 H new ATOM 212 N THR A 14 -7.599 6.871 -1.823 1.00 0.00 N ATOM 213 CA THR A 14 -6.224 7.319 -1.491 1.00 0.00 C ATOM 214 C THR A 14 -6.003 7.242 0.020 1.00 0.00 C ATOM 215 O THR A 14 -6.834 6.753 0.758 1.00 0.00 O ATOM 216 CB THR A 14 -6.000 8.754 -1.968 1.00 0.00 C ATOM 217 OG1 THR A 14 -7.064 9.578 -1.513 1.00 0.00 O ATOM 218 CG2 THR A 14 -5.947 8.780 -3.496 1.00 0.00 C ATOM 0 H THR A 14 -8.231 7.599 -2.156 1.00 0.00 H new ATOM 0 HA THR A 14 -5.514 6.664 -1.996 1.00 0.00 H new ATOM 0 HB THR A 14 -5.058 9.128 -1.567 1.00 0.00 H new ATOM 0 HG1 THR A 14 -6.919 10.498 -1.818 1.00 0.00 H new ATOM 0 HG21 THR A 14 -5.787 9.803 -3.837 1.00 0.00 H new ATOM 0 HG22 THR A 14 -5.128 8.150 -3.842 1.00 0.00 H new ATOM 0 HG23 THR A 14 -6.888 8.406 -3.899 1.00 0.00 H new ATOM 226 N GLU A 15 -4.882 7.720 0.480 1.00 0.00 N ATOM 227 CA GLU A 15 -4.587 7.674 1.940 1.00 0.00 C ATOM 228 C GLU A 15 -3.726 8.877 2.323 1.00 0.00 C ATOM 229 O GLU A 15 -2.882 9.313 1.565 1.00 0.00 O ATOM 230 CB GLU A 15 -3.818 6.390 2.261 1.00 0.00 C ATOM 231 CG GLU A 15 -4.305 5.814 3.593 1.00 0.00 C ATOM 232 CD GLU A 15 -3.401 6.310 4.724 1.00 0.00 C ATOM 233 OE1 GLU A 15 -3.138 7.500 4.768 1.00 0.00 O ATOM 234 OE2 GLU A 15 -2.986 5.491 5.527 1.00 0.00 O ATOM 0 H GLU A 15 -4.153 8.143 -0.095 1.00 0.00 H new ATOM 0 HA GLU A 15 -5.522 7.696 2.500 1.00 0.00 H new ATOM 0 HB2 GLU A 15 -3.962 5.660 1.464 1.00 0.00 H new ATOM 0 HB3 GLU A 15 -2.749 6.598 2.313 1.00 0.00 H new ATOM 0 HG2 GLU A 15 -5.336 6.117 3.777 1.00 0.00 H new ATOM 0 HG3 GLU A 15 -4.295 4.725 3.556 1.00 0.00 H new ATOM 241 N THR A 16 -3.921 9.412 3.495 1.00 0.00 N ATOM 242 CA THR A 16 -3.100 10.577 3.920 1.00 0.00 C ATOM 243 C THR A 16 -2.373 10.232 5.220 1.00 0.00 C ATOM 244 O THR A 16 -2.978 9.836 6.197 1.00 0.00 O ATOM 245 CB THR A 16 -3.998 11.793 4.144 1.00 0.00 C ATOM 246 OG1 THR A 16 -5.356 11.421 3.951 1.00 0.00 O ATOM 247 CG2 THR A 16 -3.620 12.895 3.154 1.00 0.00 C ATOM 0 H THR A 16 -4.612 9.094 4.175 1.00 0.00 H new ATOM 0 HA THR A 16 -2.373 10.810 3.142 1.00 0.00 H new ATOM 0 HB THR A 16 -3.866 12.161 5.161 1.00 0.00 H new ATOM 0 HG1 THR A 16 -5.932 12.200 4.096 1.00 0.00 H new ATOM 0 HG21 THR A 16 -4.260 13.763 3.313 1.00 0.00 H new ATOM 0 HG22 THR A 16 -2.579 13.179 3.306 1.00 0.00 H new ATOM 0 HG23 THR A 16 -3.751 12.530 2.135 1.00 0.00 H new ATOM 255 N CYS A 17 -1.077 10.369 5.236 1.00 0.00 N ATOM 256 CA CYS A 17 -0.306 10.040 6.467 1.00 0.00 C ATOM 257 C CYS A 17 0.821 11.051 6.658 1.00 0.00 C ATOM 258 O CYS A 17 0.861 12.085 6.028 1.00 0.00 O ATOM 259 CB CYS A 17 0.310 8.641 6.313 1.00 0.00 C ATOM 260 SG CYS A 17 1.887 8.749 5.404 1.00 0.00 S ATOM 0 H CYS A 17 -0.517 10.695 4.448 1.00 0.00 H new ATOM 0 HA CYS A 17 -0.974 10.069 7.328 1.00 0.00 H new ATOM 0 HB2 CYS A 17 0.477 8.198 7.295 1.00 0.00 H new ATOM 0 HB3 CYS A 17 -0.381 7.987 5.782 1.00 0.00 H new ATOM 265 N GLN A 18 1.768 10.715 7.489 1.00 0.00 N ATOM 266 CA GLN A 18 2.939 11.602 7.684 1.00 0.00 C ATOM 267 C GLN A 18 4.079 11.095 6.820 1.00 0.00 C ATOM 268 O GLN A 18 4.869 11.852 6.292 1.00 0.00 O ATOM 269 CB GLN A 18 3.415 11.566 9.121 1.00 0.00 C ATOM 270 CG GLN A 18 4.620 12.501 9.240 1.00 0.00 C ATOM 271 CD GLN A 18 4.249 13.877 8.673 1.00 0.00 C ATOM 272 OE1 GLN A 18 3.907 14.780 9.411 1.00 0.00 O ATOM 273 NE2 GLN A 18 4.306 14.075 7.377 1.00 0.00 N ATOM 0 H GLN A 18 1.777 9.858 8.043 1.00 0.00 H new ATOM 0 HA GLN A 18 2.646 12.618 7.420 1.00 0.00 H new ATOM 0 HB2 GLN A 18 2.619 11.882 9.795 1.00 0.00 H new ATOM 0 HB3 GLN A 18 3.690 10.551 9.407 1.00 0.00 H new ATOM 0 HG2 GLN A 18 4.922 12.594 10.283 1.00 0.00 H new ATOM 0 HG3 GLN A 18 5.471 12.088 8.698 1.00 0.00 H new ATOM 0 HE21 GLN A 18 4.593 13.317 6.757 1.00 0.00 H new ATOM 0 HE22 GLN A 18 4.063 14.987 6.989 1.00 0.00 H new ATOM 282 N GLU A 19 4.184 9.803 6.703 1.00 0.00 N ATOM 283 CA GLU A 19 5.300 9.230 5.902 1.00 0.00 C ATOM 284 C GLU A 19 5.120 9.642 4.450 1.00 0.00 C ATOM 285 O GLU A 19 4.108 9.379 3.832 1.00 0.00 O ATOM 286 CB GLU A 19 5.338 7.692 5.985 1.00 0.00 C ATOM 287 CG GLU A 19 4.451 7.185 7.126 1.00 0.00 C ATOM 288 CD GLU A 19 4.839 5.746 7.472 1.00 0.00 C ATOM 289 OE1 GLU A 19 5.789 5.252 6.888 1.00 0.00 O ATOM 290 OE2 GLU A 19 4.180 5.163 8.317 1.00 0.00 O ATOM 0 H GLU A 19 3.551 9.123 7.123 1.00 0.00 H new ATOM 0 HA GLU A 19 6.238 9.611 6.306 1.00 0.00 H new ATOM 0 HB2 GLU A 19 5.002 7.264 5.040 1.00 0.00 H new ATOM 0 HB3 GLU A 19 6.364 7.357 6.140 1.00 0.00 H new ATOM 0 HG2 GLU A 19 4.565 7.824 8.001 1.00 0.00 H new ATOM 0 HG3 GLU A 19 3.402 7.230 6.833 1.00 0.00 H new ATOM 297 N ASP A 20 6.107 10.284 3.900 1.00 0.00 N ATOM 298 CA ASP A 20 6.008 10.715 2.477 1.00 0.00 C ATOM 299 C ASP A 20 6.127 9.478 1.601 1.00 0.00 C ATOM 300 O ASP A 20 5.927 9.530 0.403 1.00 0.00 O ATOM 301 CB ASP A 20 7.120 11.712 2.100 1.00 0.00 C ATOM 302 CG ASP A 20 7.927 12.128 3.334 1.00 0.00 C ATOM 303 OD1 ASP A 20 7.492 13.036 4.023 1.00 0.00 O ATOM 304 OD2 ASP A 20 8.963 11.529 3.569 1.00 0.00 O ATOM 0 H ASP A 20 6.978 10.530 4.371 1.00 0.00 H new ATOM 0 HA ASP A 20 5.052 11.217 2.329 1.00 0.00 H new ATOM 0 HB2 ASP A 20 7.784 11.260 1.363 1.00 0.00 H new ATOM 0 HB3 ASP A 20 6.680 12.594 1.635 1.00 0.00 H new ATOM 309 N SER A 21 6.440 8.356 2.190 1.00 0.00 N ATOM 310 CA SER A 21 6.554 7.120 1.391 1.00 0.00 C ATOM 311 C SER A 21 5.152 6.538 1.216 1.00 0.00 C ATOM 312 O SER A 21 4.206 7.000 1.819 1.00 0.00 O ATOM 313 CB SER A 21 7.436 6.113 2.134 1.00 0.00 C ATOM 314 OG SER A 21 7.676 6.583 3.455 1.00 0.00 O ATOM 0 H SER A 21 6.620 8.250 3.188 1.00 0.00 H new ATOM 0 HA SER A 21 7.000 7.334 0.420 1.00 0.00 H new ATOM 0 HB2 SER A 21 6.948 5.139 2.165 1.00 0.00 H new ATOM 0 HB3 SER A 21 8.380 5.980 1.606 1.00 0.00 H new ATOM 0 HG SER A 21 8.239 5.940 3.934 1.00 0.00 H new ATOM 320 N CYS A 22 5.007 5.512 0.425 1.00 0.00 N ATOM 321 CA CYS A 22 3.672 4.886 0.240 1.00 0.00 C ATOM 322 C CYS A 22 3.894 3.384 0.206 1.00 0.00 C ATOM 323 O CYS A 22 4.658 2.892 -0.595 1.00 0.00 O ATOM 324 CB CYS A 22 3.048 5.358 -1.074 1.00 0.00 C ATOM 325 SG CYS A 22 3.105 7.164 -1.148 1.00 0.00 S ATOM 0 H CYS A 22 5.763 5.078 -0.105 1.00 0.00 H new ATOM 0 HA CYS A 22 2.993 5.162 1.047 1.00 0.00 H new ATOM 0 HB2 CYS A 22 3.587 4.931 -1.920 1.00 0.00 H new ATOM 0 HB3 CYS A 22 2.017 5.012 -1.145 1.00 0.00 H new ATOM 330 N TYR A 23 3.267 2.645 1.074 1.00 0.00 N ATOM 331 CA TYR A 23 3.511 1.181 1.062 1.00 0.00 C ATOM 332 C TYR A 23 2.388 0.466 0.350 1.00 0.00 C ATOM 333 O TYR A 23 1.228 0.718 0.568 1.00 0.00 O ATOM 334 CB TYR A 23 3.673 0.632 2.491 1.00 0.00 C ATOM 335 CG TYR A 23 2.341 0.515 3.207 1.00 0.00 C ATOM 336 CD1 TYR A 23 1.393 -0.419 2.780 1.00 0.00 C ATOM 337 CD2 TYR A 23 2.072 1.315 4.322 1.00 0.00 C ATOM 338 CE1 TYR A 23 0.179 -0.556 3.456 1.00 0.00 C ATOM 339 CE2 TYR A 23 0.853 1.184 5.000 1.00 0.00 C ATOM 340 CZ TYR A 23 -0.094 0.246 4.569 1.00 0.00 C ATOM 341 OH TYR A 23 -1.293 0.114 5.240 1.00 0.00 O ATOM 0 H TYR A 23 2.610 2.982 1.777 1.00 0.00 H new ATOM 0 HA TYR A 23 4.441 1.000 0.524 1.00 0.00 H new ATOM 0 HB2 TYR A 23 4.151 -0.347 2.452 1.00 0.00 H new ATOM 0 HB3 TYR A 23 4.334 1.287 3.059 1.00 0.00 H new ATOM 0 HD1 TYR A 23 1.601 -1.039 1.921 1.00 0.00 H new ATOM 0 HD2 TYR A 23 2.804 2.034 4.660 1.00 0.00 H new ATOM 0 HE1 TYR A 23 -0.548 -1.280 3.120 1.00 0.00 H new ATOM 0 HE2 TYR A 23 0.643 1.807 5.857 1.00 0.00 H new ATOM 0 HH TYR A 23 -1.320 0.745 5.989 1.00 0.00 H new ATOM 351 N LYS A 24 2.733 -0.442 -0.493 1.00 0.00 N ATOM 352 CA LYS A 24 1.696 -1.214 -1.206 1.00 0.00 C ATOM 353 C LYS A 24 2.160 -2.654 -1.291 1.00 0.00 C ATOM 354 O LYS A 24 3.072 -2.992 -2.022 1.00 0.00 O ATOM 355 CB LYS A 24 1.458 -0.631 -2.590 1.00 0.00 C ATOM 356 CG LYS A 24 0.692 -1.639 -3.438 1.00 0.00 C ATOM 357 CD LYS A 24 0.440 -1.038 -4.813 1.00 0.00 C ATOM 358 CE LYS A 24 1.766 -0.594 -5.434 1.00 0.00 C ATOM 359 NZ LYS A 24 1.622 -0.519 -6.915 1.00 0.00 N ATOM 0 H LYS A 24 3.695 -0.688 -0.724 1.00 0.00 H new ATOM 0 HA LYS A 24 0.749 -1.165 -0.669 1.00 0.00 H new ATOM 0 HB2 LYS A 24 0.895 0.299 -2.513 1.00 0.00 H new ATOM 0 HB3 LYS A 24 2.410 -0.389 -3.064 1.00 0.00 H new ATOM 0 HG2 LYS A 24 1.261 -2.564 -3.530 1.00 0.00 H new ATOM 0 HG3 LYS A 24 -0.254 -1.893 -2.959 1.00 0.00 H new ATOM 0 HD2 LYS A 24 -0.047 -1.771 -5.457 1.00 0.00 H new ATOM 0 HD3 LYS A 24 -0.236 -0.187 -4.730 1.00 0.00 H new ATOM 0 HE2 LYS A 24 2.058 0.378 -5.037 1.00 0.00 H new ATOM 0 HE3 LYS A 24 2.556 -1.297 -5.170 1.00 0.00 H new ATOM 0 HZ1 LYS A 24 2.524 -0.217 -7.337 1.00 0.00 H new ATOM 0 HZ2 LYS A 24 1.362 -1.455 -7.286 1.00 0.00 H new ATOM 0 HZ3 LYS A 24 0.879 0.168 -7.157 1.00 0.00 H new ATOM 373 N ASN A 25 1.561 -3.497 -0.514 1.00 0.00 N ATOM 374 CA ASN A 25 1.986 -4.919 -0.500 1.00 0.00 C ATOM 375 C ASN A 25 0.787 -5.850 -0.697 1.00 0.00 C ATOM 376 O ASN A 25 -0.350 -5.423 -0.738 1.00 0.00 O ATOM 377 CB ASN A 25 2.655 -5.207 0.843 1.00 0.00 C ATOM 378 CG ASN A 25 1.921 -4.463 1.951 1.00 0.00 C ATOM 379 OD1 ASN A 25 1.982 -3.164 1.984 1.00 0.00 O flip ATOM 380 ND2 ASN A 25 1.289 -5.066 2.794 1.00 0.00 N flip ATOM 0 H ASN A 25 0.792 -3.266 0.116 1.00 0.00 H new ATOM 0 HA ASN A 25 2.684 -5.097 -1.318 1.00 0.00 H new ATOM 0 HB2 ASN A 25 2.645 -6.278 1.043 1.00 0.00 H new ATOM 0 HB3 ASN A 25 3.700 -4.897 0.814 1.00 0.00 H new ATOM 0 HD21 ASN A 25 1.243 -6.085 2.765 1.00 0.00 H new ATOM 0 HD22 ASN A 25 0.804 -4.554 3.531 1.00 0.00 H new ATOM 387 N ILE A 26 1.045 -7.126 -0.830 1.00 0.00 N ATOM 388 CA ILE A 26 -0.063 -8.101 -1.038 1.00 0.00 C ATOM 389 C ILE A 26 -0.393 -8.818 0.278 1.00 0.00 C ATOM 390 O ILE A 26 -1.409 -9.473 0.397 1.00 0.00 O ATOM 391 CB ILE A 26 0.353 -9.126 -2.106 1.00 0.00 C ATOM 392 CG1 ILE A 26 1.197 -10.247 -1.481 1.00 0.00 C ATOM 393 CG2 ILE A 26 1.174 -8.425 -3.190 1.00 0.00 C ATOM 394 CD1 ILE A 26 2.530 -9.684 -0.987 1.00 0.00 C ATOM 0 H ILE A 26 1.979 -7.534 -0.803 1.00 0.00 H new ATOM 0 HA ILE A 26 -0.952 -7.567 -1.375 1.00 0.00 H new ATOM 0 HB ILE A 26 -0.547 -9.562 -2.540 1.00 0.00 H new ATOM 0 HG12 ILE A 26 0.655 -10.702 -0.652 1.00 0.00 H new ATOM 0 HG13 ILE A 26 1.374 -11.033 -2.215 1.00 0.00 H new ATOM 0 HG21 ILE A 26 1.470 -9.150 -3.948 1.00 0.00 H new ATOM 0 HG22 ILE A 26 0.573 -7.642 -3.652 1.00 0.00 H new ATOM 0 HG23 ILE A 26 2.065 -7.983 -2.743 1.00 0.00 H new ATOM 0 HD11 ILE A 26 3.122 -10.485 -0.545 1.00 0.00 H new ATOM 0 HD12 ILE A 26 3.075 -9.250 -1.825 1.00 0.00 H new ATOM 0 HD13 ILE A 26 2.345 -8.915 -0.238 1.00 0.00 H new ATOM 406 N TRP A 27 0.456 -8.708 1.262 1.00 0.00 N ATOM 407 CA TRP A 27 0.180 -9.394 2.559 1.00 0.00 C ATOM 408 C TRP A 27 -1.211 -9.010 3.063 1.00 0.00 C ATOM 409 O TRP A 27 -1.386 -8.004 3.721 1.00 0.00 O ATOM 410 CB TRP A 27 1.206 -8.965 3.601 1.00 0.00 C ATOM 411 CG TRP A 27 2.578 -8.997 3.014 1.00 0.00 C ATOM 412 CD1 TRP A 27 3.001 -9.841 2.045 1.00 0.00 C ATOM 413 CD2 TRP A 27 3.715 -8.160 3.352 1.00 0.00 C ATOM 414 NE1 TRP A 27 4.330 -9.570 1.765 1.00 0.00 N ATOM 415 CE2 TRP A 27 4.814 -8.542 2.549 1.00 0.00 C ATOM 416 CE3 TRP A 27 3.896 -7.114 4.272 1.00 0.00 C ATOM 417 CZ2 TRP A 27 6.050 -7.907 2.657 1.00 0.00 C ATOM 418 CZ3 TRP A 27 5.137 -6.473 4.382 1.00 0.00 C ATOM 419 CH2 TRP A 27 6.213 -6.869 3.576 1.00 0.00 C ATOM 0 H TRP A 27 1.325 -8.176 1.226 1.00 0.00 H new ATOM 0 HA TRP A 27 0.236 -10.471 2.402 1.00 0.00 H new ATOM 0 HB2 TRP A 27 0.977 -7.960 3.956 1.00 0.00 H new ATOM 0 HB3 TRP A 27 1.156 -9.627 4.465 1.00 0.00 H new ATOM 0 HD1 TRP A 27 2.401 -10.602 1.568 1.00 0.00 H new ATOM 0 HE1 TRP A 27 4.882 -10.068 1.067 1.00 0.00 H new ATOM 0 HE3 TRP A 27 3.073 -6.802 4.898 1.00 0.00 H new ATOM 0 HZ2 TRP A 27 6.876 -8.216 2.034 1.00 0.00 H new ATOM 0 HZ3 TRP A 27 5.265 -5.669 5.092 1.00 0.00 H new ATOM 0 HH2 TRP A 27 7.167 -6.372 3.666 1.00 0.00 H new ATOM 430 N THR A 28 -2.203 -9.802 2.772 1.00 0.00 N ATOM 431 CA THR A 28 -3.573 -9.477 3.252 1.00 0.00 C ATOM 432 C THR A 28 -4.419 -10.758 3.254 1.00 0.00 C ATOM 433 O THR A 28 -4.449 -11.496 2.290 1.00 0.00 O ATOM 434 CB THR A 28 -4.174 -8.384 2.343 1.00 0.00 C ATOM 435 OG1 THR A 28 -4.379 -7.207 3.109 1.00 0.00 O ATOM 436 CG2 THR A 28 -5.511 -8.825 1.735 1.00 0.00 C ATOM 0 H THR A 28 -2.125 -10.659 2.224 1.00 0.00 H new ATOM 0 HA THR A 28 -3.551 -9.091 4.271 1.00 0.00 H new ATOM 0 HB THR A 28 -3.475 -8.199 1.527 1.00 0.00 H new ATOM 0 HG1 THR A 28 -4.759 -6.507 2.538 1.00 0.00 H new ATOM 0 HG21 THR A 28 -5.903 -8.029 1.101 1.00 0.00 H new ATOM 0 HG22 THR A 28 -5.360 -9.724 1.137 1.00 0.00 H new ATOM 0 HG23 THR A 28 -6.222 -9.036 2.534 1.00 0.00 H new ATOM 444 N PHE A 29 -5.096 -11.028 4.336 1.00 0.00 N ATOM 445 CA PHE A 29 -5.930 -12.261 4.411 1.00 0.00 C ATOM 446 C PHE A 29 -7.272 -12.027 3.715 1.00 0.00 C ATOM 447 O PHE A 29 -7.905 -12.950 3.242 1.00 0.00 O ATOM 448 CB PHE A 29 -6.173 -12.620 5.879 1.00 0.00 C ATOM 449 CG PHE A 29 -6.634 -14.055 5.982 1.00 0.00 C ATOM 450 CD1 PHE A 29 -7.998 -14.358 5.907 1.00 0.00 C ATOM 451 CD2 PHE A 29 -5.697 -15.080 6.154 1.00 0.00 C ATOM 452 CE1 PHE A 29 -8.427 -15.688 6.005 1.00 0.00 C ATOM 453 CE2 PHE A 29 -6.125 -16.410 6.252 1.00 0.00 C ATOM 454 CZ PHE A 29 -7.489 -16.713 6.177 1.00 0.00 C ATOM 0 H PHE A 29 -5.108 -10.446 5.174 1.00 0.00 H new ATOM 0 HA PHE A 29 -5.408 -13.078 3.914 1.00 0.00 H new ATOM 0 HB2 PHE A 29 -5.258 -12.480 6.454 1.00 0.00 H new ATOM 0 HB3 PHE A 29 -6.923 -11.955 6.307 1.00 0.00 H new ATOM 0 HD1 PHE A 29 -8.720 -13.566 5.774 1.00 0.00 H new ATOM 0 HD2 PHE A 29 -4.644 -14.846 6.211 1.00 0.00 H new ATOM 0 HE1 PHE A 29 -9.480 -15.922 5.948 1.00 0.00 H new ATOM 0 HE2 PHE A 29 -5.402 -17.202 6.385 1.00 0.00 H new ATOM 0 HZ PHE A 29 -7.819 -17.739 6.252 1.00 0.00 H new ATOM 464 N ASP A 30 -7.717 -10.803 3.653 1.00 0.00 N ATOM 465 CA ASP A 30 -9.022 -10.521 2.992 1.00 0.00 C ATOM 466 C ASP A 30 -8.799 -10.250 1.503 1.00 0.00 C ATOM 467 O ASP A 30 -8.881 -11.139 0.679 1.00 0.00 O ATOM 468 CB ASP A 30 -9.668 -9.297 3.642 1.00 0.00 C ATOM 469 CG ASP A 30 -10.167 -9.665 5.040 1.00 0.00 C ATOM 470 OD1 ASP A 30 -9.991 -10.808 5.428 1.00 0.00 O ATOM 471 OD2 ASP A 30 -10.718 -8.799 5.700 1.00 0.00 O ATOM 0 H ASP A 30 -7.235 -9.987 4.030 1.00 0.00 H new ATOM 0 HA ASP A 30 -9.678 -11.384 3.106 1.00 0.00 H new ATOM 0 HB2 ASP A 30 -8.947 -8.482 3.705 1.00 0.00 H new ATOM 0 HB3 ASP A 30 -10.497 -8.942 3.030 1.00 0.00 H new ATOM 476 N ASN A 31 -8.522 -9.025 1.152 1.00 0.00 N ATOM 477 CA ASN A 31 -8.298 -8.689 -0.283 1.00 0.00 C ATOM 478 C ASN A 31 -6.965 -9.286 -0.747 1.00 0.00 C ATOM 479 O ASN A 31 -6.628 -10.404 -0.409 1.00 0.00 O ATOM 480 CB ASN A 31 -8.269 -7.168 -0.436 1.00 0.00 C ATOM 481 CG ASN A 31 -9.421 -6.558 0.363 1.00 0.00 C ATOM 482 OD1 ASN A 31 -10.572 -6.734 0.020 1.00 0.00 O ATOM 483 ND2 ASN A 31 -9.159 -5.845 1.424 1.00 0.00 N ATOM 0 H ASN A 31 -8.441 -8.240 1.798 1.00 0.00 H new ATOM 0 HA ASN A 31 -9.102 -9.102 -0.892 1.00 0.00 H new ATOM 0 HB2 ASN A 31 -7.317 -6.773 -0.082 1.00 0.00 H new ATOM 0 HB3 ASN A 31 -8.356 -6.895 -1.488 1.00 0.00 H new ATOM 0 HD21 ASN A 31 -9.921 -5.436 1.965 1.00 0.00 H new ATOM 0 HD22 ASN A 31 -8.192 -5.697 1.713 1.00 0.00 H new ATOM 490 N ILE A 32 -6.202 -8.556 -1.518 1.00 0.00 N ATOM 491 CA ILE A 32 -4.897 -9.090 -1.993 1.00 0.00 C ATOM 492 C ILE A 32 -3.832 -7.997 -1.873 1.00 0.00 C ATOM 493 O ILE A 32 -2.945 -8.073 -1.046 1.00 0.00 O ATOM 494 CB ILE A 32 -5.024 -9.527 -3.452 1.00 0.00 C ATOM 495 CG1 ILE A 32 -6.400 -10.160 -3.672 1.00 0.00 C ATOM 496 CG2 ILE A 32 -3.935 -10.550 -3.774 1.00 0.00 C ATOM 497 CD1 ILE A 32 -6.459 -11.511 -2.956 1.00 0.00 C ATOM 0 H ILE A 32 -6.428 -7.614 -1.838 1.00 0.00 H new ATOM 0 HA ILE A 32 -4.609 -9.948 -1.386 1.00 0.00 H new ATOM 0 HB ILE A 32 -4.912 -8.661 -4.104 1.00 0.00 H new ATOM 0 HG12 ILE A 32 -7.181 -9.501 -3.293 1.00 0.00 H new ATOM 0 HG13 ILE A 32 -6.585 -10.293 -4.738 1.00 0.00 H new ATOM 0 HG21 ILE A 32 -4.025 -10.862 -4.814 1.00 0.00 H new ATOM 0 HG22 ILE A 32 -2.955 -10.101 -3.613 1.00 0.00 H new ATOM 0 HG23 ILE A 32 -4.047 -11.418 -3.124 1.00 0.00 H new ATOM 0 HD11 ILE A 32 -7.439 -11.963 -3.112 1.00 0.00 H new ATOM 0 HD12 ILE A 32 -5.688 -12.169 -3.357 1.00 0.00 H new ATOM 0 HD13 ILE A 32 -6.293 -11.365 -1.889 1.00 0.00 H new ATOM 509 N ILE A 33 -3.917 -6.974 -2.683 1.00 0.00 N ATOM 510 CA ILE A 33 -2.909 -5.873 -2.603 1.00 0.00 C ATOM 511 C ILE A 33 -3.401 -4.815 -1.632 1.00 0.00 C ATOM 512 O ILE A 33 -4.588 -4.631 -1.449 1.00 0.00 O ATOM 513 CB ILE A 33 -2.730 -5.206 -3.968 1.00 0.00 C ATOM 514 CG1 ILE A 33 -3.153 -6.166 -5.074 1.00 0.00 C ATOM 515 CG2 ILE A 33 -1.267 -4.808 -4.155 1.00 0.00 C ATOM 516 CD1 ILE A 33 -2.469 -7.517 -4.870 1.00 0.00 C ATOM 0 H ILE A 33 -4.638 -6.853 -3.394 1.00 0.00 H new ATOM 0 HA ILE A 33 -1.961 -6.299 -2.274 1.00 0.00 H new ATOM 0 HB ILE A 33 -3.354 -4.314 -4.017 1.00 0.00 H new ATOM 0 HG12 ILE A 33 -4.236 -6.291 -5.067 1.00 0.00 H new ATOM 0 HG13 ILE A 33 -2.886 -5.755 -6.048 1.00 0.00 H new ATOM 0 HG21 ILE A 33 -1.141 -4.333 -5.128 1.00 0.00 H new ATOM 0 HG22 ILE A 33 -0.977 -4.110 -3.370 1.00 0.00 H new ATOM 0 HG23 ILE A 33 -0.638 -5.697 -4.101 1.00 0.00 H new ATOM 0 HD11 ILE A 33 -2.773 -8.202 -5.662 1.00 0.00 H new ATOM 0 HD12 ILE A 33 -1.387 -7.385 -4.899 1.00 0.00 H new ATOM 0 HD13 ILE A 33 -2.758 -7.929 -3.903 1.00 0.00 H new ATOM 528 N ARG A 34 -2.508 -4.095 -1.021 1.00 0.00 N ATOM 529 CA ARG A 34 -2.961 -3.035 -0.086 1.00 0.00 C ATOM 530 C ARG A 34 -2.048 -1.819 -0.164 1.00 0.00 C ATOM 531 O ARG A 34 -0.938 -1.818 0.326 1.00 0.00 O ATOM 532 CB ARG A 34 -2.971 -3.551 1.341 1.00 0.00 C ATOM 533 CG ARG A 34 -3.540 -2.461 2.245 1.00 0.00 C ATOM 534 CD ARG A 34 -3.763 -3.022 3.644 1.00 0.00 C ATOM 535 NE ARG A 34 -3.020 -2.196 4.637 1.00 0.00 N ATOM 536 CZ ARG A 34 -3.223 -2.369 5.915 1.00 0.00 C ATOM 537 NH1 ARG A 34 -4.197 -1.736 6.512 1.00 0.00 N ATOM 538 NH2 ARG A 34 -2.452 -3.172 6.595 1.00 0.00 N ATOM 0 H ARG A 34 -1.498 -4.192 -1.126 1.00 0.00 H new ATOM 0 HA ARG A 34 -3.971 -2.748 -0.378 1.00 0.00 H new ATOM 0 HB2 ARG A 34 -3.574 -4.456 1.413 1.00 0.00 H new ATOM 0 HB3 ARG A 34 -1.961 -3.815 1.655 1.00 0.00 H new ATOM 0 HG2 ARG A 34 -2.855 -1.615 2.287 1.00 0.00 H new ATOM 0 HG3 ARG A 34 -4.480 -2.090 1.837 1.00 0.00 H new ATOM 0 HD2 ARG A 34 -4.827 -3.024 3.881 1.00 0.00 H new ATOM 0 HD3 ARG A 34 -3.424 -4.057 3.690 1.00 0.00 H new ATOM 0 HE ARG A 34 -2.352 -1.494 4.318 1.00 0.00 H new ATOM 0 HH11 ARG A 34 -4.798 -1.107 5.980 1.00 0.00 H new ATOM 0 HH12 ARG A 34 -4.356 -1.871 7.510 1.00 0.00 H new ATOM 0 HH21 ARG A 34 -1.691 -3.665 6.128 1.00 0.00 H new ATOM 0 HH22 ARG A 34 -2.611 -3.307 7.593 1.00 0.00 H new ATOM 552 N ARG A 35 -2.539 -0.776 -0.754 1.00 0.00 N ATOM 553 CA ARG A 35 -1.753 0.482 -0.864 1.00 0.00 C ATOM 554 C ARG A 35 -1.924 1.274 0.428 1.00 0.00 C ATOM 555 O ARG A 35 -3.014 1.424 0.941 1.00 0.00 O ATOM 556 CB ARG A 35 -2.253 1.308 -2.046 1.00 0.00 C ATOM 557 CG ARG A 35 -2.235 0.447 -3.308 1.00 0.00 C ATOM 558 CD ARG A 35 -3.623 0.433 -3.946 1.00 0.00 C ATOM 559 NE ARG A 35 -3.529 0.933 -5.347 1.00 0.00 N ATOM 560 CZ ARG A 35 -3.170 0.124 -6.308 1.00 0.00 C ATOM 561 NH1 ARG A 35 -2.293 -0.814 -6.081 1.00 0.00 N ATOM 562 NH2 ARG A 35 -3.686 0.260 -7.499 1.00 0.00 N ATOM 0 H ARG A 35 -3.468 -0.737 -1.174 1.00 0.00 H new ATOM 0 HA ARG A 35 -0.700 0.248 -1.023 1.00 0.00 H new ATOM 0 HB2 ARG A 35 -3.264 1.667 -1.852 1.00 0.00 H new ATOM 0 HB3 ARG A 35 -1.623 2.187 -2.183 1.00 0.00 H new ATOM 0 HG2 ARG A 35 -1.504 0.838 -4.015 1.00 0.00 H new ATOM 0 HG3 ARG A 35 -1.928 -0.569 -3.061 1.00 0.00 H new ATOM 0 HD2 ARG A 35 -4.030 -0.578 -3.936 1.00 0.00 H new ATOM 0 HD3 ARG A 35 -4.306 1.057 -3.370 1.00 0.00 H new ATOM 0 HE ARG A 35 -3.745 1.908 -5.556 1.00 0.00 H new ATOM 0 HH11 ARG A 35 -1.886 -0.917 -5.152 1.00 0.00 H new ATOM 0 HH12 ARG A 35 -2.014 -1.444 -6.833 1.00 0.00 H new ATOM 0 HH21 ARG A 35 -4.368 0.997 -7.678 1.00 0.00 H new ATOM 0 HH22 ARG A 35 -3.407 -0.371 -8.251 1.00 0.00 H new ATOM 576 N GLY A 36 -0.848 1.760 0.967 1.00 0.00 N ATOM 577 CA GLY A 36 -0.923 2.521 2.235 1.00 0.00 C ATOM 578 C GLY A 36 0.116 3.633 2.229 1.00 0.00 C ATOM 579 O GLY A 36 0.426 4.213 1.207 1.00 0.00 O ATOM 0 H GLY A 36 0.090 1.661 0.578 1.00 0.00 H new ATOM 0 HA2 GLY A 36 -1.920 2.943 2.358 1.00 0.00 H new ATOM 0 HA3 GLY A 36 -0.752 1.855 3.081 1.00 0.00 H new ATOM 583 N CYS A 37 0.632 3.951 3.372 1.00 0.00 N ATOM 584 CA CYS A 37 1.622 5.053 3.459 1.00 0.00 C ATOM 585 C CYS A 37 2.923 4.581 4.126 1.00 0.00 C ATOM 586 O CYS A 37 2.917 4.059 5.223 1.00 0.00 O ATOM 587 CB CYS A 37 0.995 6.155 4.293 1.00 0.00 C ATOM 588 SG CYS A 37 1.547 7.757 3.692 1.00 0.00 S ATOM 0 H CYS A 37 0.412 3.495 4.257 1.00 0.00 H new ATOM 0 HA CYS A 37 1.875 5.403 2.458 1.00 0.00 H new ATOM 0 HB2 CYS A 37 -0.092 6.091 4.240 1.00 0.00 H new ATOM 0 HB3 CYS A 37 1.271 6.034 5.340 1.00 0.00 H new ATOM 593 N GLY A 38 4.039 4.766 3.466 1.00 0.00 N ATOM 594 CA GLY A 38 5.338 4.341 4.045 1.00 0.00 C ATOM 595 C GLY A 38 5.770 3.059 3.358 1.00 0.00 C ATOM 596 O GLY A 38 5.392 2.785 2.236 1.00 0.00 O ATOM 0 H GLY A 38 4.100 5.197 2.544 1.00 0.00 H new ATOM 0 HA2 GLY A 38 6.089 5.119 3.904 1.00 0.00 H new ATOM 0 HA3 GLY A 38 5.241 4.182 5.119 1.00 0.00 H new ATOM 600 N CYS A 39 6.546 2.267 4.023 1.00 0.00 N ATOM 601 CA CYS A 39 6.980 0.976 3.413 1.00 0.00 C ATOM 602 C CYS A 39 6.541 -0.181 4.302 1.00 0.00 C ATOM 603 O CYS A 39 6.214 -0.005 5.459 1.00 0.00 O ATOM 604 CB CYS A 39 8.503 0.928 3.254 1.00 0.00 C ATOM 605 SG CYS A 39 9.074 2.456 2.476 1.00 0.00 S ATOM 0 H CYS A 39 6.903 2.449 4.961 1.00 0.00 H new ATOM 0 HA CYS A 39 6.520 0.894 2.428 1.00 0.00 H new ATOM 0 HB2 CYS A 39 8.977 0.803 4.227 1.00 0.00 H new ATOM 0 HB3 CYS A 39 8.789 0.069 2.647 1.00 0.00 H new ATOM 610 N PHE A 40 6.555 -1.368 3.771 1.00 0.00 N ATOM 611 CA PHE A 40 6.161 -2.553 4.586 1.00 0.00 C ATOM 612 C PHE A 40 7.193 -2.710 5.696 1.00 0.00 C ATOM 613 O PHE A 40 8.094 -1.907 5.833 1.00 0.00 O ATOM 614 CB PHE A 40 6.139 -3.830 3.721 1.00 0.00 C ATOM 615 CG PHE A 40 6.914 -3.583 2.455 1.00 0.00 C ATOM 616 CD1 PHE A 40 8.285 -3.835 2.415 1.00 0.00 C ATOM 617 CD2 PHE A 40 6.261 -3.049 1.339 1.00 0.00 C ATOM 618 CE1 PHE A 40 9.013 -3.556 1.252 1.00 0.00 C ATOM 619 CE2 PHE A 40 6.983 -2.773 0.173 1.00 0.00 C ATOM 620 CZ PHE A 40 8.363 -3.024 0.128 1.00 0.00 C ATOM 0 H PHE A 40 6.822 -1.572 2.808 1.00 0.00 H new ATOM 0 HA PHE A 40 5.161 -2.406 4.994 1.00 0.00 H new ATOM 0 HB2 PHE A 40 6.574 -4.664 4.271 1.00 0.00 H new ATOM 0 HB3 PHE A 40 5.111 -4.106 3.485 1.00 0.00 H new ATOM 0 HD1 PHE A 40 8.785 -4.245 3.280 1.00 0.00 H new ATOM 0 HD2 PHE A 40 5.200 -2.850 1.378 1.00 0.00 H new ATOM 0 HE1 PHE A 40 10.075 -3.750 1.220 1.00 0.00 H new ATOM 0 HE2 PHE A 40 6.479 -2.367 -0.692 1.00 0.00 H new ATOM 0 HZ PHE A 40 8.923 -2.808 -0.770 1.00 0.00 H new ATOM 630 N THR A 41 7.062 -3.709 6.507 1.00 0.00 N ATOM 631 CA THR A 41 8.036 -3.870 7.626 1.00 0.00 C ATOM 632 C THR A 41 9.126 -4.911 7.311 1.00 0.00 C ATOM 633 O THR A 41 10.289 -4.653 7.552 1.00 0.00 O ATOM 634 CB THR A 41 7.305 -4.269 8.912 1.00 0.00 C ATOM 635 OG1 THR A 41 6.189 -3.411 9.114 1.00 0.00 O ATOM 636 CG2 THR A 41 8.269 -4.141 10.091 1.00 0.00 C ATOM 0 H THR A 41 6.332 -4.420 6.452 1.00 0.00 H new ATOM 0 HA THR A 41 8.527 -2.906 7.760 1.00 0.00 H new ATOM 0 HB THR A 41 6.954 -5.298 8.832 1.00 0.00 H new ATOM 0 HG1 THR A 41 5.722 -3.669 9.936 1.00 0.00 H new ATOM 0 HG21 THR A 41 7.758 -4.423 11.011 1.00 0.00 H new ATOM 0 HG22 THR A 41 9.124 -4.799 9.935 1.00 0.00 H new ATOM 0 HG23 THR A 41 8.614 -3.110 10.169 1.00 0.00 H new ATOM 644 N PRO A 42 8.739 -6.065 6.825 1.00 0.00 N ATOM 645 CA PRO A 42 9.687 -7.144 6.532 1.00 0.00 C ATOM 646 C PRO A 42 10.224 -7.021 5.108 1.00 0.00 C ATOM 647 O PRO A 42 10.322 -7.997 4.391 1.00 0.00 O ATOM 648 CB PRO A 42 8.831 -8.404 6.678 1.00 0.00 C ATOM 649 CG PRO A 42 7.360 -7.960 6.469 1.00 0.00 C ATOM 650 CD PRO A 42 7.347 -6.419 6.517 1.00 0.00 C ATOM 0 HA PRO A 42 10.561 -7.137 7.184 1.00 0.00 H new ATOM 0 HB2 PRO A 42 9.118 -9.156 5.943 1.00 0.00 H new ATOM 0 HB3 PRO A 42 8.965 -8.853 7.662 1.00 0.00 H new ATOM 0 HG2 PRO A 42 6.980 -8.320 5.513 1.00 0.00 H new ATOM 0 HG3 PRO A 42 6.717 -8.376 7.245 1.00 0.00 H new ATOM 0 HD2 PRO A 42 7.027 -5.992 5.567 1.00 0.00 H new ATOM 0 HD3 PRO A 42 6.662 -6.049 7.280 1.00 0.00 H new ATOM 658 N ARG A 43 10.579 -5.841 4.687 1.00 0.00 N ATOM 659 CA ARG A 43 11.112 -5.701 3.304 1.00 0.00 C ATOM 660 C ARG A 43 12.255 -6.687 3.120 1.00 0.00 C ATOM 661 O ARG A 43 12.994 -6.971 4.040 1.00 0.00 O ATOM 662 CB ARG A 43 11.647 -4.291 3.090 1.00 0.00 C ATOM 663 CG ARG A 43 12.781 -4.018 4.080 1.00 0.00 C ATOM 664 CD ARG A 43 13.404 -2.654 3.778 1.00 0.00 C ATOM 665 NE ARG A 43 12.335 -1.616 3.767 1.00 0.00 N ATOM 666 CZ ARG A 43 12.584 -0.427 3.290 1.00 0.00 C ATOM 667 NH1 ARG A 43 13.205 -0.298 2.149 1.00 0.00 N ATOM 668 NH2 ARG A 43 12.210 0.632 3.952 1.00 0.00 N ATOM 0 H ARG A 43 10.525 -4.979 5.230 1.00 0.00 H new ATOM 0 HA ARG A 43 10.314 -5.897 2.588 1.00 0.00 H new ATOM 0 HB2 ARG A 43 12.008 -4.179 2.068 1.00 0.00 H new ATOM 0 HB3 ARG A 43 10.848 -3.563 3.227 1.00 0.00 H new ATOM 0 HG2 ARG A 43 12.399 -4.037 5.101 1.00 0.00 H new ATOM 0 HG3 ARG A 43 13.537 -4.799 4.007 1.00 0.00 H new ATOM 0 HD2 ARG A 43 14.156 -2.410 4.529 1.00 0.00 H new ATOM 0 HD3 ARG A 43 13.913 -2.679 2.814 1.00 0.00 H new ATOM 0 HE ARG A 43 11.408 -1.835 4.132 1.00 0.00 H new ATOM 0 HH11 ARG A 43 13.496 -1.127 1.630 1.00 0.00 H new ATOM 0 HH12 ARG A 43 13.399 0.631 1.776 1.00 0.00 H new ATOM 0 HH21 ARG A 43 11.723 0.531 4.843 1.00 0.00 H new ATOM 0 HH22 ARG A 43 12.404 1.561 3.579 1.00 0.00 H new ATOM 682 N GLY A 44 12.415 -7.212 1.942 1.00 0.00 N ATOM 683 CA GLY A 44 13.518 -8.170 1.729 1.00 0.00 C ATOM 684 C GLY A 44 13.386 -8.833 0.356 1.00 0.00 C ATOM 685 O GLY A 44 12.730 -8.324 -0.530 1.00 0.00 O ATOM 0 H GLY A 44 11.833 -7.019 1.127 1.00 0.00 H new ATOM 0 HA2 GLY A 44 14.476 -7.655 1.801 1.00 0.00 H new ATOM 0 HA3 GLY A 44 13.505 -8.930 2.510 1.00 0.00 H new ATOM 689 N ASP A 45 14.015 -9.963 0.173 1.00 0.00 N ATOM 690 CA ASP A 45 13.936 -10.655 -1.145 1.00 0.00 C ATOM 691 C ASP A 45 12.801 -11.686 -1.144 1.00 0.00 C ATOM 692 O ASP A 45 12.320 -12.082 -2.187 1.00 0.00 O ATOM 693 CB ASP A 45 15.265 -11.362 -1.425 1.00 0.00 C ATOM 694 CG ASP A 45 15.390 -11.644 -2.924 1.00 0.00 C ATOM 695 OD1 ASP A 45 15.820 -10.755 -3.640 1.00 0.00 O ATOM 696 OD2 ASP A 45 15.053 -12.744 -3.330 1.00 0.00 O ATOM 0 H ASP A 45 14.579 -10.436 0.879 1.00 0.00 H new ATOM 0 HA ASP A 45 13.736 -9.915 -1.920 1.00 0.00 H new ATOM 0 HB2 ASP A 45 16.096 -10.741 -1.091 1.00 0.00 H new ATOM 0 HB3 ASP A 45 15.318 -12.295 -0.863 1.00 0.00 H new ATOM 701 N MET A 46 12.372 -12.137 0.007 1.00 0.00 N ATOM 702 CA MET A 46 11.277 -13.150 0.031 1.00 0.00 C ATOM 703 C MET A 46 9.997 -12.549 -0.569 1.00 0.00 C ATOM 704 O MET A 46 9.523 -13.019 -1.585 1.00 0.00 O ATOM 705 CB MET A 46 11.028 -13.633 1.463 1.00 0.00 C ATOM 706 CG MET A 46 11.532 -15.071 1.614 1.00 0.00 C ATOM 707 SD MET A 46 10.122 -16.204 1.675 1.00 0.00 S ATOM 708 CE MET A 46 10.722 -17.244 3.030 1.00 0.00 C ATOM 0 H MET A 46 12.728 -11.852 0.919 1.00 0.00 H new ATOM 0 HA MET A 46 11.575 -14.009 -0.570 1.00 0.00 H new ATOM 0 HB2 MET A 46 11.539 -12.981 2.172 1.00 0.00 H new ATOM 0 HB3 MET A 46 9.964 -13.583 1.695 1.00 0.00 H new ATOM 0 HG2 MET A 46 12.183 -15.329 0.779 1.00 0.00 H new ATOM 0 HG3 MET A 46 12.127 -15.165 2.522 1.00 0.00 H new ATOM 0 HE1 MET A 46 9.992 -18.026 3.239 1.00 0.00 H new ATOM 0 HE2 MET A 46 11.671 -17.699 2.746 1.00 0.00 H new ATOM 0 HE3 MET A 46 10.865 -16.633 3.922 1.00 0.00 H new ATOM 718 N PRO A 47 9.479 -11.522 0.058 1.00 0.00 N ATOM 719 CA PRO A 47 8.265 -10.845 -0.419 1.00 0.00 C ATOM 720 C PRO A 47 8.639 -9.859 -1.529 1.00 0.00 C ATOM 721 O PRO A 47 9.799 -9.681 -1.842 1.00 0.00 O ATOM 722 CB PRO A 47 7.758 -10.108 0.822 1.00 0.00 C ATOM 723 CG PRO A 47 8.981 -9.922 1.750 1.00 0.00 C ATOM 724 CD PRO A 47 10.040 -10.942 1.293 1.00 0.00 C ATOM 0 HA PRO A 47 7.516 -11.519 -0.835 1.00 0.00 H new ATOM 0 HB2 PRO A 47 7.326 -9.145 0.552 1.00 0.00 H new ATOM 0 HB3 PRO A 47 6.976 -10.680 1.321 1.00 0.00 H new ATOM 0 HG2 PRO A 47 9.368 -8.905 1.682 1.00 0.00 H new ATOM 0 HG3 PRO A 47 8.706 -10.089 2.791 1.00 0.00 H new ATOM 0 HD2 PRO A 47 11.000 -10.462 1.106 1.00 0.00 H new ATOM 0 HD3 PRO A 47 10.208 -11.707 2.051 1.00 0.00 H new ATOM 732 N GLY A 48 7.677 -9.215 -2.127 1.00 0.00 N ATOM 733 CA GLY A 48 8.004 -8.249 -3.204 1.00 0.00 C ATOM 734 C GLY A 48 6.922 -7.170 -3.296 1.00 0.00 C ATOM 735 O GLY A 48 6.356 -6.955 -4.349 1.00 0.00 O ATOM 0 H GLY A 48 6.684 -9.317 -1.916 1.00 0.00 H new ATOM 0 HA2 GLY A 48 8.972 -7.788 -3.007 1.00 0.00 H new ATOM 0 HA3 GLY A 48 8.088 -8.771 -4.157 1.00 0.00 H new ATOM 739 N PRO A 49 6.674 -6.513 -2.191 1.00 0.00 N ATOM 740 CA PRO A 49 5.673 -5.437 -2.125 1.00 0.00 C ATOM 741 C PRO A 49 6.251 -4.163 -2.748 1.00 0.00 C ATOM 742 O PRO A 49 7.362 -4.164 -3.239 1.00 0.00 O ATOM 743 CB PRO A 49 5.427 -5.275 -0.630 1.00 0.00 C ATOM 744 CG PRO A 49 6.679 -5.829 0.084 1.00 0.00 C ATOM 745 CD PRO A 49 7.358 -6.779 -0.909 1.00 0.00 C ATOM 0 HA PRO A 49 4.752 -5.649 -2.669 1.00 0.00 H new ATOM 0 HB2 PRO A 49 5.267 -4.228 -0.375 1.00 0.00 H new ATOM 0 HB3 PRO A 49 4.533 -5.818 -0.323 1.00 0.00 H new ATOM 0 HG2 PRO A 49 7.352 -5.021 0.371 1.00 0.00 H new ATOM 0 HG3 PRO A 49 6.404 -6.355 0.998 1.00 0.00 H new ATOM 0 HD2 PRO A 49 8.428 -6.582 -0.980 1.00 0.00 H new ATOM 0 HD3 PRO A 49 7.245 -7.820 -0.606 1.00 0.00 H new ATOM 753 N TYR A 50 5.512 -3.083 -2.773 1.00 0.00 N ATOM 754 CA TYR A 50 6.065 -1.855 -3.418 1.00 0.00 C ATOM 755 C TYR A 50 5.897 -0.589 -2.559 1.00 0.00 C ATOM 756 O TYR A 50 4.865 0.052 -2.581 1.00 0.00 O ATOM 757 CB TYR A 50 5.357 -1.642 -4.757 1.00 0.00 C ATOM 758 CG TYR A 50 6.385 -1.391 -5.834 1.00 0.00 C ATOM 759 CD1 TYR A 50 7.461 -2.273 -5.996 1.00 0.00 C ATOM 760 CD2 TYR A 50 6.260 -0.277 -6.673 1.00 0.00 C ATOM 761 CE1 TYR A 50 8.412 -2.039 -6.995 1.00 0.00 C ATOM 762 CE2 TYR A 50 7.212 -0.044 -7.672 1.00 0.00 C ATOM 763 CZ TYR A 50 8.288 -0.926 -7.834 1.00 0.00 C ATOM 764 OH TYR A 50 9.227 -0.695 -8.820 1.00 0.00 O ATOM 0 H TYR A 50 4.573 -2.998 -2.385 1.00 0.00 H new ATOM 0 HA TYR A 50 7.136 -2.013 -3.548 1.00 0.00 H new ATOM 0 HB2 TYR A 50 4.758 -2.518 -5.008 1.00 0.00 H new ATOM 0 HB3 TYR A 50 4.672 -0.797 -4.688 1.00 0.00 H new ATOM 0 HD1 TYR A 50 7.556 -3.133 -5.350 1.00 0.00 H new ATOM 0 HD2 TYR A 50 5.429 0.402 -6.549 1.00 0.00 H new ATOM 0 HE1 TYR A 50 9.243 -2.718 -7.119 1.00 0.00 H new ATOM 0 HE2 TYR A 50 7.117 0.816 -8.318 1.00 0.00 H new ATOM 0 HH TYR A 50 8.991 0.119 -9.313 1.00 0.00 H new ATOM 774 N CYS A 51 6.936 -0.176 -1.876 1.00 0.00 N ATOM 775 CA CYS A 51 6.871 1.103 -1.103 1.00 0.00 C ATOM 776 C CYS A 51 7.175 2.209 -2.109 1.00 0.00 C ATOM 777 O CYS A 51 7.734 1.954 -3.157 1.00 0.00 O ATOM 778 CB CYS A 51 7.944 1.123 -0.011 1.00 0.00 C ATOM 779 SG CYS A 51 7.832 2.687 0.899 1.00 0.00 S ATOM 0 H CYS A 51 7.827 -0.670 -1.820 1.00 0.00 H new ATOM 0 HA CYS A 51 5.898 1.224 -0.626 1.00 0.00 H new ATOM 0 HB2 CYS A 51 7.806 0.282 0.668 1.00 0.00 H new ATOM 0 HB3 CYS A 51 8.934 1.015 -0.454 1.00 0.00 H new ATOM 784 N CYS A 52 6.829 3.422 -1.827 1.00 0.00 N ATOM 785 CA CYS A 52 7.129 4.500 -2.812 1.00 0.00 C ATOM 786 C CYS A 52 7.299 5.819 -2.092 1.00 0.00 C ATOM 787 O CYS A 52 6.873 5.980 -0.976 1.00 0.00 O ATOM 788 CB CYS A 52 5.988 4.617 -3.820 1.00 0.00 C ATOM 789 SG CYS A 52 6.362 5.904 -5.036 1.00 0.00 S ATOM 0 H CYS A 52 6.358 3.720 -0.973 1.00 0.00 H new ATOM 0 HA CYS A 52 8.051 4.251 -3.338 1.00 0.00 H new ATOM 0 HB2 CYS A 52 5.838 3.662 -4.324 1.00 0.00 H new ATOM 0 HB3 CYS A 52 5.058 4.854 -3.303 1.00 0.00 H new ATOM 794 N GLU A 53 7.920 6.762 -2.726 1.00 0.00 N ATOM 795 CA GLU A 53 8.118 8.083 -2.070 1.00 0.00 C ATOM 796 C GLU A 53 7.455 9.183 -2.899 1.00 0.00 C ATOM 797 O GLU A 53 8.102 10.094 -3.377 1.00 0.00 O ATOM 798 CB GLU A 53 9.610 8.367 -1.923 1.00 0.00 C ATOM 799 CG GLU A 53 10.323 7.096 -1.459 1.00 0.00 C ATOM 800 CD GLU A 53 11.819 7.379 -1.300 1.00 0.00 C ATOM 801 OE1 GLU A 53 12.521 7.319 -2.295 1.00 0.00 O ATOM 802 OE2 GLU A 53 12.235 7.652 -0.186 1.00 0.00 O ATOM 0 H GLU A 53 8.301 6.681 -3.669 1.00 0.00 H new ATOM 0 HA GLU A 53 7.660 8.063 -1.081 1.00 0.00 H new ATOM 0 HB2 GLU A 53 10.023 8.703 -2.874 1.00 0.00 H new ATOM 0 HB3 GLU A 53 9.770 9.171 -1.204 1.00 0.00 H new ATOM 0 HG2 GLU A 53 9.904 6.756 -0.512 1.00 0.00 H new ATOM 0 HG3 GLU A 53 10.168 6.295 -2.182 1.00 0.00 H new ATOM 809 N SER A 54 6.166 9.108 -3.055 1.00 0.00 N ATOM 810 CA SER A 54 5.434 10.146 -3.833 1.00 0.00 C ATOM 811 C SER A 54 3.964 10.087 -3.433 1.00 0.00 C ATOM 812 O SER A 54 3.448 9.037 -3.099 1.00 0.00 O ATOM 813 CB SER A 54 5.572 9.876 -5.331 1.00 0.00 C ATOM 814 OG SER A 54 6.120 8.581 -5.528 1.00 0.00 O ATOM 0 H SER A 54 5.581 8.365 -2.674 1.00 0.00 H new ATOM 0 HA SER A 54 5.847 11.132 -3.622 1.00 0.00 H new ATOM 0 HB2 SER A 54 4.599 9.949 -5.816 1.00 0.00 H new ATOM 0 HB3 SER A 54 6.214 10.628 -5.790 1.00 0.00 H new ATOM 0 HG SER A 54 5.724 7.957 -4.884 1.00 0.00 H new ATOM 820 N ASP A 55 3.276 11.191 -3.447 1.00 0.00 N ATOM 821 CA ASP A 55 1.850 11.151 -3.040 1.00 0.00 C ATOM 822 C ASP A 55 1.047 10.381 -4.087 1.00 0.00 C ATOM 823 O ASP A 55 1.377 10.370 -5.256 1.00 0.00 O ATOM 824 CB ASP A 55 1.299 12.571 -2.908 1.00 0.00 C ATOM 825 CG ASP A 55 2.385 13.495 -2.361 1.00 0.00 C ATOM 826 OD1 ASP A 55 3.303 13.804 -3.103 1.00 0.00 O ATOM 827 OD2 ASP A 55 2.278 13.881 -1.207 1.00 0.00 O ATOM 0 H ASP A 55 3.634 12.107 -3.719 1.00 0.00 H new ATOM 0 HA ASP A 55 1.767 10.652 -2.075 1.00 0.00 H new ATOM 0 HB2 ASP A 55 0.957 12.930 -3.878 1.00 0.00 H new ATOM 0 HB3 ASP A 55 0.435 12.576 -2.244 1.00 0.00 H new ATOM 832 N LYS A 56 0.001 9.720 -3.671 1.00 0.00 N ATOM 833 CA LYS A 56 -0.815 8.933 -4.636 1.00 0.00 C ATOM 834 C LYS A 56 0.121 8.144 -5.556 1.00 0.00 C ATOM 835 O LYS A 56 -0.134 7.993 -6.734 1.00 0.00 O ATOM 836 CB LYS A 56 -1.677 9.882 -5.470 1.00 0.00 C ATOM 837 CG LYS A 56 -3.035 10.061 -4.791 1.00 0.00 C ATOM 838 CD LYS A 56 -3.613 11.432 -5.154 1.00 0.00 C ATOM 839 CE LYS A 56 -4.526 11.295 -6.372 1.00 0.00 C ATOM 840 NZ LYS A 56 -4.385 12.503 -7.233 1.00 0.00 N ATOM 0 H LYS A 56 -0.323 9.692 -2.704 1.00 0.00 H new ATOM 0 HA LYS A 56 -1.463 8.244 -4.095 1.00 0.00 H new ATOM 0 HB2 LYS A 56 -1.180 10.846 -5.574 1.00 0.00 H new ATOM 0 HB3 LYS A 56 -1.810 9.482 -6.475 1.00 0.00 H new ATOM 0 HG2 LYS A 56 -3.718 9.272 -5.107 1.00 0.00 H new ATOM 0 HG3 LYS A 56 -2.927 9.975 -3.710 1.00 0.00 H new ATOM 0 HD2 LYS A 56 -4.172 11.837 -4.311 1.00 0.00 H new ATOM 0 HD3 LYS A 56 -2.806 12.133 -5.368 1.00 0.00 H new ATOM 0 HE2 LYS A 56 -4.266 10.400 -6.937 1.00 0.00 H new ATOM 0 HE3 LYS A 56 -5.562 11.181 -6.053 1.00 0.00 H new ATOM 0 HZ1 LYS A 56 -5.005 12.412 -8.063 1.00 0.00 H new ATOM 0 HZ2 LYS A 56 -4.653 13.349 -6.691 1.00 0.00 H new ATOM 0 HZ3 LYS A 56 -3.398 12.592 -7.547 1.00 0.00 H new ATOM 854 N CYS A 57 1.213 7.653 -5.029 1.00 0.00 N ATOM 855 CA CYS A 57 2.172 6.889 -5.879 1.00 0.00 C ATOM 856 C CYS A 57 1.824 5.394 -5.887 1.00 0.00 C ATOM 857 O CYS A 57 2.181 4.682 -6.804 1.00 0.00 O ATOM 858 CB CYS A 57 3.589 7.070 -5.329 1.00 0.00 C ATOM 859 SG CYS A 57 4.723 5.971 -6.213 1.00 0.00 S ATOM 0 H CYS A 57 1.481 7.748 -4.049 1.00 0.00 H new ATOM 0 HA CYS A 57 2.110 7.268 -6.899 1.00 0.00 H new ATOM 0 HB2 CYS A 57 3.906 8.107 -5.444 1.00 0.00 H new ATOM 0 HB3 CYS A 57 3.608 6.848 -4.262 1.00 0.00 H new ATOM 864 N ASN A 58 1.146 4.900 -4.884 1.00 0.00 N ATOM 865 CA ASN A 58 0.813 3.456 -4.875 1.00 0.00 C ATOM 866 C ASN A 58 -0.591 3.245 -5.443 1.00 0.00 C ATOM 867 O ASN A 58 -1.488 2.793 -4.761 1.00 0.00 O ATOM 868 CB ASN A 58 0.899 2.896 -3.448 1.00 0.00 C ATOM 869 CG ASN A 58 0.348 3.904 -2.432 1.00 0.00 C ATOM 870 OD1 ASN A 58 0.030 5.026 -2.772 1.00 0.00 O ATOM 871 ND2 ASN A 58 0.242 3.550 -1.178 1.00 0.00 N ATOM 0 H ASN A 58 0.814 5.433 -4.080 1.00 0.00 H new ATOM 0 HA ASN A 58 1.532 2.924 -5.498 1.00 0.00 H new ATOM 0 HB2 ASN A 58 0.337 1.964 -3.384 1.00 0.00 H new ATOM 0 HB3 ASN A 58 1.936 2.660 -3.207 1.00 0.00 H new ATOM 0 HD21 ASN A 58 -0.107 4.215 -0.488 1.00 0.00 H new ATOM 0 HD22 ASN A 58 0.508 2.609 -0.890 1.00 0.00 H new ATOM 878 N LEU A 59 -0.783 3.566 -6.694 1.00 0.00 N ATOM 879 CA LEU A 59 -2.121 3.381 -7.321 1.00 0.00 C ATOM 880 C LEU A 59 -2.058 2.206 -8.297 1.00 0.00 C ATOM 881 O LEU A 59 -1.450 1.206 -7.952 1.00 0.00 O ATOM 882 CB LEU A 59 -2.507 4.649 -8.083 1.00 0.00 C ATOM 883 CG LEU A 59 -4.011 4.895 -7.944 1.00 0.00 C ATOM 884 CD1 LEU A 59 -4.433 6.013 -8.897 1.00 0.00 C ATOM 885 CD2 LEU A 59 -4.773 3.615 -8.293 1.00 0.00 C ATOM 886 OXT LEU A 59 -2.617 2.325 -9.375 1.00 0.00 O ATOM 0 H LEU A 59 -0.067 3.950 -7.310 1.00 0.00 H new ATOM 0 HA LEU A 59 -2.863 3.181 -6.548 1.00 0.00 H new ATOM 0 HB2 LEU A 59 -1.951 5.502 -7.694 1.00 0.00 H new ATOM 0 HB3 LEU A 59 -2.241 4.548 -9.135 1.00 0.00 H new ATOM 0 HG LEU A 59 -4.238 5.184 -6.918 1.00 0.00 H new ATOM 0 HD11 LEU A 59 -5.504 6.189 -8.799 1.00 0.00 H new ATOM 0 HD12 LEU A 59 -3.891 6.926 -8.650 1.00 0.00 H new ATOM 0 HD13 LEU A 59 -4.205 5.722 -9.923 1.00 0.00 H new ATOM 0 HD21 LEU A 59 -5.844 3.791 -8.194 1.00 0.00 H new ATOM 0 HD22 LEU A 59 -4.546 3.325 -9.319 1.00 0.00 H new ATOM 0 HD23 LEU A 59 -4.472 2.816 -7.615 1.00 0.00 H new