USER MOD reduce.3.24.130724 H: found=0, std=0, add=443, rem=0, adj=10 USER MOD reduce.3.24.130724 removed 440 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 1 MET N :NH3+ 140:sc= -0.285 (180deg=-1.26!) USER MOD Set 1.2: A 14 SER OG : rot 180:sc= 0.0241 USER MOD Set 2.1: A 1 MET CE :methyl -107:sc= -5.16! (180deg=-8.04!) USER MOD Set 2.2: A 8 SER OG : rot 39:sc= 0.866 USER MOD Single : A 11 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 16 TYR OH : rot 180:sc= 0 USER MOD Single : A 18 ASN : amide:sc= -0.209 K(o=-0.21,f=-2.7!) USER MOD Single : A 20 TYR OH : rot -163:sc= 0.691 USER MOD Single : A 21 GLN : amide:sc= -0.152 X(o=-0.15,f=0) USER MOD Single : A 31 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 40 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 42 TYR OH : rot 180:sc= 0 USER MOD Single : A 47 MET CE :methyl -147:sc= -5.08! (180deg=-7.07!) USER MOD Single : A 50 SER OG : rot 180:sc= 0 USER MOD Single : A 51 HIS : no HD1:sc= -0.0066 X(o=-0.0066,f=0) USER MOD Single : A 54 THR OG1 : rot 55:sc= -0.172 USER MOD ----------------------------------------------------------------- ATOM 1 N MET A 1 -7.352 3.715 1.062 1.00 0.00 N ATOM 2 CA MET A 1 -6.270 3.777 2.037 1.00 0.00 C ATOM 3 C MET A 1 -6.798 4.172 3.410 1.00 0.00 C ATOM 4 O MET A 1 -7.999 4.358 3.597 1.00 0.00 O ATOM 5 CB MET A 1 -5.202 4.774 1.589 1.00 0.00 C ATOM 6 CG MET A 1 -5.757 6.146 1.241 1.00 0.00 C ATOM 7 SD MET A 1 -5.403 7.380 2.505 1.00 0.00 S ATOM 8 CE MET A 1 -3.640 7.148 2.720 1.00 0.00 C ATOM 0 H1 MET A 1 -7.027 4.112 0.157 1.00 0.00 H new ATOM 0 H2 MET A 1 -7.638 2.725 0.923 1.00 0.00 H new ATOM 0 H3 MET A 1 -8.164 4.264 1.409 1.00 0.00 H new ATOM 0 HA MET A 1 -5.825 2.785 2.106 1.00 0.00 H new ATOM 0 HB2 MET A 1 -4.462 4.881 2.382 1.00 0.00 H new ATOM 0 HB3 MET A 1 -4.682 4.371 0.720 1.00 0.00 H new ATOM 0 HG2 MET A 1 -5.335 6.474 0.291 1.00 0.00 H new ATOM 0 HG3 MET A 1 -6.836 6.073 1.103 1.00 0.00 H new ATOM 0 HE1 MET A 1 -3.452 6.650 3.671 1.00 0.00 H new ATOM 0 HE2 MET A 1 -3.252 6.535 1.907 1.00 0.00 H new ATOM 0 HE3 MET A 1 -3.142 8.118 2.713 1.00 0.00 H new ATOM 18 N ILE A 2 -5.886 4.301 4.363 1.00 0.00 N ATOM 19 CA ILE A 2 -6.245 4.675 5.723 1.00 0.00 C ATOM 20 C ILE A 2 -5.694 6.059 6.057 1.00 0.00 C ATOM 21 O ILE A 2 -4.578 6.402 5.668 1.00 0.00 O ATOM 22 CB ILE A 2 -5.711 3.640 6.741 1.00 0.00 C ATOM 23 CG1 ILE A 2 -6.354 2.273 6.492 1.00 0.00 C ATOM 24 CG2 ILE A 2 -5.967 4.086 8.175 1.00 0.00 C ATOM 25 CD1 ILE A 2 -5.974 1.655 5.165 1.00 0.00 C ATOM 0 H ILE A 2 -4.888 4.151 4.218 1.00 0.00 H new ATOM 0 HA ILE A 2 -7.333 4.697 5.789 1.00 0.00 H new ATOM 0 HB ILE A 2 -4.633 3.560 6.602 1.00 0.00 H new ATOM 0 HG12 ILE A 2 -6.066 1.594 7.295 1.00 0.00 H new ATOM 0 HG13 ILE A 2 -7.438 2.378 6.537 1.00 0.00 H new ATOM 0 HG21 ILE A 2 -5.579 3.336 8.864 1.00 0.00 H new ATOM 0 HG22 ILE A 2 -5.466 5.037 8.355 1.00 0.00 H new ATOM 0 HG23 ILE A 2 -7.039 4.205 8.333 1.00 0.00 H new ATOM 0 HD11 ILE A 2 -6.467 0.689 5.059 1.00 0.00 H new ATOM 0 HD12 ILE A 2 -6.287 2.313 4.354 1.00 0.00 H new ATOM 0 HD13 ILE A 2 -4.894 1.517 5.124 1.00 0.00 H new ATOM 37 N PRO A 3 -6.482 6.888 6.756 1.00 0.00 N ATOM 38 CA PRO A 3 -6.047 8.222 7.172 1.00 0.00 C ATOM 39 C PRO A 3 -5.045 8.130 8.304 1.00 0.00 C ATOM 40 O PRO A 3 -4.752 7.034 8.778 1.00 0.00 O ATOM 41 CB PRO A 3 -7.342 8.853 7.674 1.00 0.00 C ATOM 42 CG PRO A 3 -8.076 7.696 8.247 1.00 0.00 C ATOM 43 CD PRO A 3 -7.822 6.564 7.287 1.00 0.00 C ATOM 0 HA PRO A 3 -5.560 8.784 6.375 1.00 0.00 H new ATOM 0 HB2 PRO A 3 -7.153 9.622 8.423 1.00 0.00 H new ATOM 0 HB3 PRO A 3 -7.901 9.326 6.866 1.00 0.00 H new ATOM 0 HG2 PRO A 3 -7.715 7.455 9.247 1.00 0.00 H new ATOM 0 HG3 PRO A 3 -9.142 7.908 8.335 1.00 0.00 H new ATOM 0 HD2 PRO A 3 -7.837 5.596 7.788 1.00 0.00 H new ATOM 0 HD3 PRO A 3 -8.573 6.525 6.498 1.00 0.00 H new ATOM 51 N VAL A 4 -4.550 9.271 8.766 1.00 0.00 N ATOM 52 CA VAL A 4 -3.631 9.273 9.893 1.00 0.00 C ATOM 53 C VAL A 4 -2.322 8.555 9.536 1.00 0.00 C ATOM 54 O VAL A 4 -1.290 9.189 9.318 1.00 0.00 O ATOM 55 CB VAL A 4 -4.325 8.610 11.122 1.00 0.00 C ATOM 56 CG1 VAL A 4 -3.348 7.878 12.043 1.00 0.00 C ATOM 57 CG2 VAL A 4 -5.100 9.658 11.907 1.00 0.00 C ATOM 0 H VAL A 4 -4.766 10.192 8.384 1.00 0.00 H new ATOM 0 HA VAL A 4 -3.373 10.302 10.145 1.00 0.00 H new ATOM 0 HB VAL A 4 -5.007 7.856 10.730 1.00 0.00 H new ATOM 0 HG11 VAL A 4 -3.894 7.439 12.878 1.00 0.00 H new ATOM 0 HG12 VAL A 4 -2.843 7.089 11.485 1.00 0.00 H new ATOM 0 HG13 VAL A 4 -2.609 8.583 12.423 1.00 0.00 H new ATOM 0 HG21 VAL A 4 -5.582 9.188 12.764 1.00 0.00 H new ATOM 0 HG22 VAL A 4 -4.416 10.432 12.255 1.00 0.00 H new ATOM 0 HG23 VAL A 4 -5.858 10.106 11.265 1.00 0.00 H new ATOM 67 N ARG A 5 -2.379 7.231 9.528 1.00 0.00 N ATOM 68 CA ARG A 5 -1.217 6.403 9.248 1.00 0.00 C ATOM 69 C ARG A 5 -0.532 6.811 7.948 1.00 0.00 C ATOM 70 O ARG A 5 -0.867 7.832 7.348 1.00 0.00 O ATOM 71 CB ARG A 5 -1.644 4.939 9.179 1.00 0.00 C ATOM 72 CG ARG A 5 -0.790 4.017 10.034 1.00 0.00 C ATOM 73 CD ARG A 5 -1.018 4.265 11.516 1.00 0.00 C ATOM 74 NE ARG A 5 0.148 4.869 12.154 1.00 0.00 N ATOM 75 CZ ARG A 5 0.093 5.573 13.282 1.00 0.00 C ATOM 76 NH1 ARG A 5 -1.067 5.758 13.897 1.00 0.00 N ATOM 77 NH2 ARG A 5 1.200 6.091 13.794 1.00 0.00 N ATOM 0 H ARG A 5 -3.231 6.702 9.715 1.00 0.00 H new ATOM 0 HA ARG A 5 -0.497 6.543 10.054 1.00 0.00 H new ATOM 0 HB2 ARG A 5 -2.683 4.857 9.497 1.00 0.00 H new ATOM 0 HB3 ARG A 5 -1.600 4.604 8.143 1.00 0.00 H new ATOM 0 HG2 ARG A 5 -1.024 2.979 9.797 1.00 0.00 H new ATOM 0 HG3 ARG A 5 0.263 4.169 9.796 1.00 0.00 H new ATOM 0 HD2 ARG A 5 -1.881 4.918 11.646 1.00 0.00 H new ATOM 0 HD3 ARG A 5 -1.254 3.322 12.010 1.00 0.00 H new ATOM 0 HE ARG A 5 1.057 4.744 11.709 1.00 0.00 H new ATOM 0 HH11 ARG A 5 -1.921 5.360 13.506 1.00 0.00 H new ATOM 0 HH12 ARG A 5 -1.106 6.298 14.761 1.00 0.00 H new ATOM 0 HH21 ARG A 5 2.094 5.950 13.324 1.00 0.00 H new ATOM 0 HH22 ARG A 5 1.158 6.631 14.659 1.00 0.00 H new ATOM 91 N CYS A 6 0.440 6.007 7.528 1.00 0.00 N ATOM 92 CA CYS A 6 1.195 6.287 6.314 1.00 0.00 C ATOM 93 C CYS A 6 0.841 5.311 5.201 1.00 0.00 C ATOM 94 O CYS A 6 1.344 4.193 5.157 1.00 0.00 O ATOM 95 CB CYS A 6 2.695 6.230 6.601 1.00 0.00 C ATOM 96 SG CYS A 6 3.529 7.830 6.488 1.00 0.00 S ATOM 0 H CYS A 6 0.723 5.155 8.012 1.00 0.00 H new ATOM 0 HA CYS A 6 0.929 7.290 5.980 1.00 0.00 H new ATOM 0 HB2 CYS A 6 2.848 5.822 7.600 1.00 0.00 H new ATOM 0 HB3 CYS A 6 3.162 5.538 5.900 1.00 0.00 H new ATOM 101 N LEU A 7 -0.021 5.756 4.296 1.00 0.00 N ATOM 102 CA LEU A 7 -0.418 4.956 3.150 1.00 0.00 C ATOM 103 C LEU A 7 -0.447 5.835 1.906 1.00 0.00 C ATOM 104 O LEU A 7 -1.343 5.724 1.072 1.00 0.00 O ATOM 105 CB LEU A 7 -1.798 4.327 3.372 1.00 0.00 C ATOM 106 CG LEU A 7 -1.949 3.389 4.579 1.00 0.00 C ATOM 107 CD1 LEU A 7 -0.719 2.516 4.790 1.00 0.00 C ATOM 108 CD2 LEU A 7 -2.250 4.193 5.831 1.00 0.00 C ATOM 0 H LEU A 7 -0.461 6.675 4.337 1.00 0.00 H new ATOM 0 HA LEU A 7 0.306 4.152 3.019 1.00 0.00 H new ATOM 0 HB2 LEU A 7 -2.525 5.132 3.475 1.00 0.00 H new ATOM 0 HB3 LEU A 7 -2.065 3.770 2.474 1.00 0.00 H new ATOM 0 HG LEU A 7 -2.784 2.720 4.370 1.00 0.00 H new ATOM 0 HD11 LEU A 7 -0.875 1.871 5.655 1.00 0.00 H new ATOM 0 HD12 LEU A 7 -0.552 1.902 3.905 1.00 0.00 H new ATOM 0 HD13 LEU A 7 0.151 3.149 4.962 1.00 0.00 H new ATOM 0 HD21 LEU A 7 -2.355 3.518 6.680 1.00 0.00 H new ATOM 0 HD22 LEU A 7 -1.434 4.890 6.020 1.00 0.00 H new ATOM 0 HD23 LEU A 7 -3.177 4.749 5.692 1.00 0.00 H new ATOM 120 N SER A 8 0.522 6.738 1.817 1.00 0.00 N ATOM 121 CA SER A 8 0.619 7.658 0.689 1.00 0.00 C ATOM 122 C SER A 8 1.895 8.490 0.777 1.00 0.00 C ATOM 123 O SER A 8 2.705 8.502 -0.150 1.00 0.00 O ATOM 124 CB SER A 8 -0.602 8.579 0.647 1.00 0.00 C ATOM 125 OG SER A 8 -1.715 7.924 0.063 1.00 0.00 O ATOM 0 H SER A 8 1.256 6.853 2.516 1.00 0.00 H new ATOM 0 HA SER A 8 0.651 7.069 -0.227 1.00 0.00 H new ATOM 0 HB2 SER A 8 -0.854 8.900 1.658 1.00 0.00 H new ATOM 0 HB3 SER A 8 -0.364 9.477 0.077 1.00 0.00 H new ATOM 0 HG SER A 8 -1.737 6.990 0.359 1.00 0.00 H new ATOM 131 N CYS A 9 2.069 9.182 1.899 1.00 0.00 N ATOM 132 CA CYS A 9 3.250 10.013 2.112 1.00 0.00 C ATOM 133 C CYS A 9 3.348 11.111 1.058 1.00 0.00 C ATOM 134 O CYS A 9 4.431 11.633 0.792 1.00 0.00 O ATOM 135 CB CYS A 9 4.515 9.152 2.084 1.00 0.00 C ATOM 136 SG CYS A 9 5.385 9.066 3.666 1.00 0.00 S ATOM 0 H CYS A 9 1.407 9.184 2.675 1.00 0.00 H new ATOM 0 HA CYS A 9 3.157 10.484 3.090 1.00 0.00 H new ATOM 0 HB2 CYS A 9 4.247 8.142 1.774 1.00 0.00 H new ATOM 0 HB3 CYS A 9 5.194 9.548 1.329 1.00 0.00 H new ATOM 141 N GLY A 10 2.212 11.462 0.465 1.00 0.00 N ATOM 142 CA GLY A 10 2.198 12.492 -0.556 1.00 0.00 C ATOM 143 C GLY A 10 1.640 11.991 -1.871 1.00 0.00 C ATOM 144 O GLY A 10 1.187 12.777 -2.703 1.00 0.00 O ATOM 0 H GLY A 10 1.302 11.052 0.673 1.00 0.00 H new ATOM 0 HA2 GLY A 10 1.602 13.336 -0.209 1.00 0.00 H new ATOM 0 HA3 GLY A 10 3.212 12.860 -0.711 1.00 0.00 H new ATOM 148 N LYS A 11 1.678 10.677 -2.061 1.00 0.00 N ATOM 149 CA LYS A 11 1.183 10.066 -3.285 1.00 0.00 C ATOM 150 C LYS A 11 0.036 9.103 -2.987 1.00 0.00 C ATOM 151 O LYS A 11 0.099 8.331 -2.031 1.00 0.00 O ATOM 152 CB LYS A 11 2.317 9.324 -3.991 1.00 0.00 C ATOM 153 CG LYS A 11 2.915 10.096 -5.154 1.00 0.00 C ATOM 154 CD LYS A 11 3.516 11.409 -4.684 1.00 0.00 C ATOM 155 CE LYS A 11 3.008 12.581 -5.509 1.00 0.00 C ATOM 156 NZ LYS A 11 3.987 13.700 -5.548 1.00 0.00 N ATOM 0 H LYS A 11 2.048 10.014 -1.380 1.00 0.00 H new ATOM 0 HA LYS A 11 0.808 10.855 -3.936 1.00 0.00 H new ATOM 0 HB2 LYS A 11 3.103 9.105 -3.268 1.00 0.00 H new ATOM 0 HB3 LYS A 11 1.943 8.367 -4.355 1.00 0.00 H new ATOM 0 HG2 LYS A 11 3.683 9.493 -5.639 1.00 0.00 H new ATOM 0 HG3 LYS A 11 2.145 10.291 -5.900 1.00 0.00 H new ATOM 0 HD2 LYS A 11 3.270 11.568 -3.634 1.00 0.00 H new ATOM 0 HD3 LYS A 11 4.603 11.358 -4.753 1.00 0.00 H new ATOM 0 HE2 LYS A 11 2.800 12.246 -6.525 1.00 0.00 H new ATOM 0 HE3 LYS A 11 2.066 12.937 -5.091 1.00 0.00 H new ATOM 0 HZ1 LYS A 11 3.602 14.478 -6.120 1.00 0.00 H new ATOM 0 HZ2 LYS A 11 4.167 14.038 -4.581 1.00 0.00 H new ATOM 0 HZ3 LYS A 11 4.877 13.368 -5.970 1.00 0.00 H new ATOM 170 N PRO A 12 -1.032 9.138 -3.801 1.00 0.00 N ATOM 171 CA PRO A 12 -2.191 8.259 -3.616 1.00 0.00 C ATOM 172 C PRO A 12 -1.840 6.791 -3.821 1.00 0.00 C ATOM 173 O PRO A 12 -1.212 6.425 -4.815 1.00 0.00 O ATOM 174 CB PRO A 12 -3.176 8.725 -4.691 1.00 0.00 C ATOM 175 CG PRO A 12 -2.333 9.398 -5.719 1.00 0.00 C ATOM 176 CD PRO A 12 -1.192 10.025 -4.968 1.00 0.00 C ATOM 0 HA PRO A 12 -2.588 8.322 -2.603 1.00 0.00 H new ATOM 0 HB2 PRO A 12 -3.722 7.884 -5.117 1.00 0.00 H new ATOM 0 HB3 PRO A 12 -3.917 9.410 -4.278 1.00 0.00 H new ATOM 0 HG2 PRO A 12 -1.969 8.682 -6.456 1.00 0.00 H new ATOM 0 HG3 PRO A 12 -2.905 10.151 -6.261 1.00 0.00 H new ATOM 0 HD2 PRO A 12 -0.285 10.064 -5.572 1.00 0.00 H new ATOM 0 HD3 PRO A 12 -1.420 11.048 -4.669 1.00 0.00 H new ATOM 184 N VAL A 13 -2.248 5.953 -2.876 1.00 0.00 N ATOM 185 CA VAL A 13 -1.979 4.523 -2.956 1.00 0.00 C ATOM 186 C VAL A 13 -3.252 3.734 -3.275 1.00 0.00 C ATOM 187 O VAL A 13 -3.186 2.585 -3.708 1.00 0.00 O ATOM 188 CB VAL A 13 -1.342 3.995 -1.647 1.00 0.00 C ATOM 189 CG1 VAL A 13 -0.206 4.909 -1.209 1.00 0.00 C ATOM 190 CG2 VAL A 13 -2.376 3.865 -0.536 1.00 0.00 C ATOM 0 H VAL A 13 -2.766 6.239 -2.045 1.00 0.00 H new ATOM 0 HA VAL A 13 -1.268 4.376 -3.769 1.00 0.00 H new ATOM 0 HB VAL A 13 -0.942 3.001 -1.847 1.00 0.00 H new ATOM 0 HG11 VAL A 13 0.234 4.527 -0.288 1.00 0.00 H new ATOM 0 HG12 VAL A 13 0.556 4.942 -1.988 1.00 0.00 H new ATOM 0 HG13 VAL A 13 -0.593 5.913 -1.037 1.00 0.00 H new ATOM 0 HG21 VAL A 13 -1.894 3.492 0.368 1.00 0.00 H new ATOM 0 HG22 VAL A 13 -2.819 4.841 -0.335 1.00 0.00 H new ATOM 0 HG23 VAL A 13 -3.156 3.169 -0.845 1.00 0.00 H new ATOM 200 N SER A 14 -4.407 4.359 -3.059 1.00 0.00 N ATOM 201 CA SER A 14 -5.689 3.713 -3.320 1.00 0.00 C ATOM 202 C SER A 14 -5.811 3.305 -4.784 1.00 0.00 C ATOM 203 O SER A 14 -6.119 2.154 -5.095 1.00 0.00 O ATOM 204 CB SER A 14 -6.839 4.649 -2.945 1.00 0.00 C ATOM 205 OG SER A 14 -6.535 5.387 -1.773 1.00 0.00 O ATOM 0 H SER A 14 -4.481 5.312 -2.704 1.00 0.00 H new ATOM 0 HA SER A 14 -5.742 2.813 -2.707 1.00 0.00 H new ATOM 0 HB2 SER A 14 -7.037 5.335 -3.769 1.00 0.00 H new ATOM 0 HB3 SER A 14 -7.748 4.068 -2.787 1.00 0.00 H new ATOM 0 HG SER A 14 -7.285 5.979 -1.555 1.00 0.00 H new ATOM 211 N ALA A 15 -5.581 4.257 -5.682 1.00 0.00 N ATOM 212 CA ALA A 15 -5.673 3.991 -7.113 1.00 0.00 C ATOM 213 C ALA A 15 -4.668 2.926 -7.537 1.00 0.00 C ATOM 214 O ALA A 15 -4.906 2.175 -8.484 1.00 0.00 O ATOM 215 CB ALA A 15 -5.453 5.273 -7.903 1.00 0.00 C ATOM 0 H ALA A 15 -5.330 5.217 -5.445 1.00 0.00 H new ATOM 0 HA ALA A 15 -6.674 3.614 -7.325 1.00 0.00 H new ATOM 0 HB1 ALA A 15 -5.524 5.060 -8.970 1.00 0.00 H new ATOM 0 HB2 ALA A 15 -6.212 6.005 -7.628 1.00 0.00 H new ATOM 0 HB3 ALA A 15 -4.465 5.674 -7.678 1.00 0.00 H new ATOM 221 N TYR A 16 -3.545 2.866 -6.830 1.00 0.00 N ATOM 222 CA TYR A 16 -2.500 1.900 -7.133 1.00 0.00 C ATOM 223 C TYR A 16 -2.747 0.577 -6.416 1.00 0.00 C ATOM 224 O TYR A 16 -2.305 -0.480 -6.872 1.00 0.00 O ATOM 225 CB TYR A 16 -1.142 2.470 -6.733 1.00 0.00 C ATOM 226 CG TYR A 16 -0.467 3.247 -7.840 1.00 0.00 C ATOM 227 CD1 TYR A 16 0.153 2.593 -8.898 1.00 0.00 C ATOM 228 CD2 TYR A 16 -0.466 4.637 -7.838 1.00 0.00 C ATOM 229 CE1 TYR A 16 0.768 3.302 -9.914 1.00 0.00 C ATOM 230 CE2 TYR A 16 0.147 5.353 -8.850 1.00 0.00 C ATOM 231 CZ TYR A 16 0.761 4.680 -9.886 1.00 0.00 C ATOM 232 OH TYR A 16 1.370 5.389 -10.896 1.00 0.00 O ATOM 0 H TYR A 16 -3.336 3.478 -6.041 1.00 0.00 H new ATOM 0 HA TYR A 16 -2.511 1.706 -8.206 1.00 0.00 H new ATOM 0 HB2 TYR A 16 -1.270 3.121 -5.868 1.00 0.00 H new ATOM 0 HB3 TYR A 16 -0.490 1.653 -6.423 1.00 0.00 H new ATOM 0 HD1 TYR A 16 0.155 1.513 -8.927 1.00 0.00 H new ATOM 0 HD2 TYR A 16 -0.952 5.167 -7.032 1.00 0.00 H new ATOM 0 HE1 TYR A 16 1.251 2.778 -10.725 1.00 0.00 H new ATOM 0 HE2 TYR A 16 0.145 6.433 -8.829 1.00 0.00 H new ATOM 0 HH TYR A 16 1.274 6.349 -10.726 1.00 0.00 H new ATOM 242 N PHE A 17 -3.461 0.637 -5.294 1.00 0.00 N ATOM 243 CA PHE A 17 -3.773 -0.564 -4.520 1.00 0.00 C ATOM 244 C PHE A 17 -4.282 -1.678 -5.430 1.00 0.00 C ATOM 245 O PHE A 17 -4.103 -2.860 -5.138 1.00 0.00 O ATOM 246 CB PHE A 17 -4.814 -0.253 -3.439 1.00 0.00 C ATOM 247 CG PHE A 17 -4.231 0.167 -2.112 1.00 0.00 C ATOM 248 CD1 PHE A 17 -2.899 0.544 -1.998 1.00 0.00 C ATOM 249 CD2 PHE A 17 -5.024 0.182 -0.975 1.00 0.00 C ATOM 250 CE1 PHE A 17 -2.374 0.922 -0.777 1.00 0.00 C ATOM 251 CE2 PHE A 17 -4.503 0.562 0.247 1.00 0.00 C ATOM 252 CZ PHE A 17 -3.177 0.934 0.347 1.00 0.00 C ATOM 0 H PHE A 17 -3.834 1.501 -4.901 1.00 0.00 H new ATOM 0 HA PHE A 17 -2.856 -0.901 -4.038 1.00 0.00 H new ATOM 0 HB2 PHE A 17 -5.469 0.539 -3.801 1.00 0.00 H new ATOM 0 HB3 PHE A 17 -5.435 -1.136 -3.286 1.00 0.00 H new ATOM 0 HD1 PHE A 17 -2.267 0.542 -2.873 1.00 0.00 H new ATOM 0 HD2 PHE A 17 -6.062 -0.107 -1.045 1.00 0.00 H new ATOM 0 HE1 PHE A 17 -1.335 1.208 -0.701 1.00 0.00 H new ATOM 0 HE2 PHE A 17 -5.133 0.568 1.124 1.00 0.00 H new ATOM 0 HZ PHE A 17 -2.769 1.233 1.301 1.00 0.00 H new ATOM 262 N ASN A 18 -4.900 -1.291 -6.542 1.00 0.00 N ATOM 263 CA ASN A 18 -5.401 -2.258 -7.507 1.00 0.00 C ATOM 264 C ASN A 18 -4.250 -3.082 -8.069 1.00 0.00 C ATOM 265 O ASN A 18 -4.382 -4.286 -8.293 1.00 0.00 O ATOM 266 CB ASN A 18 -6.140 -1.545 -8.642 1.00 0.00 C ATOM 267 CG ASN A 18 -7.367 -2.305 -9.103 1.00 0.00 C ATOM 268 OD1 ASN A 18 -7.751 -3.310 -8.505 1.00 0.00 O ATOM 269 ND2 ASN A 18 -7.991 -1.828 -10.174 1.00 0.00 N ATOM 0 H ASN A 18 -5.064 -0.317 -6.795 1.00 0.00 H new ATOM 0 HA ASN A 18 -6.099 -2.925 -7.001 1.00 0.00 H new ATOM 0 HB2 ASN A 18 -6.436 -0.550 -8.310 1.00 0.00 H new ATOM 0 HB3 ASN A 18 -5.462 -1.411 -9.485 1.00 0.00 H new ATOM 0 HD21 ASN A 18 -8.823 -2.298 -10.531 1.00 0.00 H new ATOM 0 HD22 ASN A 18 -7.638 -0.992 -10.639 1.00 0.00 H new ATOM 276 N GLU A 19 -3.114 -2.425 -8.275 1.00 0.00 N ATOM 277 CA GLU A 19 -1.920 -3.095 -8.771 1.00 0.00 C ATOM 278 C GLU A 19 -1.476 -4.168 -7.791 1.00 0.00 C ATOM 279 O GLU A 19 -1.275 -5.325 -8.160 1.00 0.00 O ATOM 280 CB GLU A 19 -0.792 -2.080 -8.978 1.00 0.00 C ATOM 281 CG GLU A 19 0.195 -2.470 -10.066 1.00 0.00 C ATOM 282 CD GLU A 19 1.629 -2.150 -9.693 1.00 0.00 C ATOM 283 OE1 GLU A 19 1.835 -1.333 -8.772 1.00 0.00 O ATOM 284 OE2 GLU A 19 2.547 -2.714 -10.325 1.00 0.00 O ATOM 0 H GLU A 19 -2.996 -1.426 -8.105 1.00 0.00 H new ATOM 0 HA GLU A 19 -2.155 -3.563 -9.727 1.00 0.00 H new ATOM 0 HB2 GLU A 19 -1.228 -1.112 -9.226 1.00 0.00 H new ATOM 0 HB3 GLU A 19 -0.252 -1.955 -8.039 1.00 0.00 H new ATOM 0 HG2 GLU A 19 0.105 -3.537 -10.267 1.00 0.00 H new ATOM 0 HG3 GLU A 19 -0.062 -1.949 -10.988 1.00 0.00 H new ATOM 291 N TYR A 20 -1.346 -3.774 -6.530 1.00 0.00 N ATOM 292 CA TYR A 20 -0.959 -4.700 -5.473 1.00 0.00 C ATOM 293 C TYR A 20 -1.950 -5.851 -5.387 1.00 0.00 C ATOM 294 O TYR A 20 -1.563 -7.017 -5.297 1.00 0.00 O ATOM 295 CB TYR A 20 -0.903 -3.966 -4.134 1.00 0.00 C ATOM 296 CG TYR A 20 -0.686 -4.873 -2.944 1.00 0.00 C ATOM 297 CD1 TYR A 20 -1.751 -5.545 -2.356 1.00 0.00 C ATOM 298 CD2 TYR A 20 0.580 -5.051 -2.404 1.00 0.00 C ATOM 299 CE1 TYR A 20 -1.558 -6.372 -1.266 1.00 0.00 C ATOM 300 CE2 TYR A 20 0.781 -5.875 -1.312 1.00 0.00 C ATOM 301 CZ TYR A 20 -0.290 -6.534 -0.748 1.00 0.00 C ATOM 302 OH TYR A 20 -0.093 -7.357 0.336 1.00 0.00 O ATOM 0 H TYR A 20 -1.503 -2.817 -6.214 1.00 0.00 H new ATOM 0 HA TYR A 20 0.027 -5.102 -5.706 1.00 0.00 H new ATOM 0 HB2 TYR A 20 -0.100 -3.230 -4.168 1.00 0.00 H new ATOM 0 HB3 TYR A 20 -1.834 -3.416 -3.994 1.00 0.00 H new ATOM 0 HD1 TYR A 20 -2.746 -5.419 -2.758 1.00 0.00 H new ATOM 0 HD2 TYR A 20 1.422 -4.537 -2.844 1.00 0.00 H new ATOM 0 HE1 TYR A 20 -2.396 -6.889 -0.822 1.00 0.00 H new ATOM 0 HE2 TYR A 20 1.773 -6.002 -0.903 1.00 0.00 H new ATOM 0 HH TYR A 20 0.776 -7.159 0.744 1.00 0.00 H new ATOM 312 N GLN A 21 -3.231 -5.510 -5.410 1.00 0.00 N ATOM 313 CA GLN A 21 -4.292 -6.506 -5.335 1.00 0.00 C ATOM 314 C GLN A 21 -4.186 -7.496 -6.489 1.00 0.00 C ATOM 315 O GLN A 21 -4.092 -8.705 -6.277 1.00 0.00 O ATOM 316 CB GLN A 21 -5.661 -5.823 -5.358 1.00 0.00 C ATOM 317 CG GLN A 21 -6.827 -6.798 -5.350 1.00 0.00 C ATOM 318 CD GLN A 21 -7.967 -6.335 -4.464 1.00 0.00 C ATOM 319 OE1 GLN A 21 -8.571 -7.131 -3.745 1.00 0.00 O ATOM 320 NE2 GLN A 21 -8.266 -5.042 -4.510 1.00 0.00 N ATOM 0 H GLN A 21 -3.562 -4.548 -5.480 1.00 0.00 H new ATOM 0 HA GLN A 21 -4.182 -7.052 -4.398 1.00 0.00 H new ATOM 0 HB2 GLN A 21 -5.743 -5.164 -4.494 1.00 0.00 H new ATOM 0 HB3 GLN A 21 -5.730 -5.195 -6.246 1.00 0.00 H new ATOM 0 HG2 GLN A 21 -7.193 -6.929 -6.368 1.00 0.00 H new ATOM 0 HG3 GLN A 21 -6.479 -7.773 -5.008 1.00 0.00 H new ATOM 0 HE21 GLN A 21 -7.739 -4.418 -5.121 1.00 0.00 H new ATOM 0 HE22 GLN A 21 -9.023 -4.673 -3.935 1.00 0.00 H new ATOM 329 N ARG A 22 -4.195 -6.975 -7.712 1.00 0.00 N ATOM 330 CA ARG A 22 -4.095 -7.813 -8.900 1.00 0.00 C ATOM 331 C ARG A 22 -2.849 -8.690 -8.842 1.00 0.00 C ATOM 332 O ARG A 22 -2.925 -9.906 -9.021 1.00 0.00 O ATOM 333 CB ARG A 22 -4.064 -6.947 -10.161 1.00 0.00 C ATOM 334 CG ARG A 22 -3.839 -7.742 -11.437 1.00 0.00 C ATOM 335 CD ARG A 22 -4.133 -6.909 -12.674 1.00 0.00 C ATOM 336 NE ARG A 22 -4.448 -7.743 -13.832 1.00 0.00 N ATOM 337 CZ ARG A 22 -5.581 -8.425 -13.961 1.00 0.00 C ATOM 338 NH1 ARG A 22 -6.504 -8.371 -13.011 1.00 0.00 N ATOM 339 NH2 ARG A 22 -5.793 -9.162 -15.044 1.00 0.00 N ATOM 0 H ARG A 22 -4.271 -5.976 -7.905 1.00 0.00 H new ATOM 0 HA ARG A 22 -4.972 -8.459 -8.933 1.00 0.00 H new ATOM 0 HB2 ARG A 22 -5.005 -6.403 -10.242 1.00 0.00 H new ATOM 0 HB3 ARG A 22 -3.274 -6.203 -10.062 1.00 0.00 H new ATOM 0 HG2 ARG A 22 -2.808 -8.093 -11.471 1.00 0.00 H new ATOM 0 HG3 ARG A 22 -4.477 -8.626 -11.433 1.00 0.00 H new ATOM 0 HD2 ARG A 22 -4.969 -6.240 -12.471 1.00 0.00 H new ATOM 0 HD3 ARG A 22 -3.271 -6.282 -12.902 1.00 0.00 H new ATOM 0 HE ARG A 22 -3.760 -7.805 -14.583 1.00 0.00 H new ATOM 0 HH11 ARG A 22 -6.346 -7.805 -12.178 1.00 0.00 H new ATOM 0 HH12 ARG A 22 -7.373 -8.896 -13.113 1.00 0.00 H new ATOM 0 HH21 ARG A 22 -5.086 -9.205 -15.778 1.00 0.00 H new ATOM 0 HH22 ARG A 22 -6.663 -9.685 -15.142 1.00 0.00 H new ATOM 353 N ARG A 23 -1.702 -8.065 -8.592 1.00 0.00 N ATOM 354 CA ARG A 23 -0.440 -8.791 -8.513 1.00 0.00 C ATOM 355 C ARG A 23 -0.473 -9.817 -7.384 1.00 0.00 C ATOM 356 O ARG A 23 -0.444 -11.024 -7.627 1.00 0.00 O ATOM 357 CB ARG A 23 0.723 -7.820 -8.300 1.00 0.00 C ATOM 358 CG ARG A 23 1.483 -7.501 -9.577 1.00 0.00 C ATOM 359 CD ARG A 23 0.639 -6.681 -10.539 1.00 0.00 C ATOM 360 NE ARG A 23 1.458 -5.982 -11.526 1.00 0.00 N ATOM 361 CZ ARG A 23 2.072 -6.589 -12.537 1.00 0.00 C ATOM 362 NH1 ARG A 23 1.960 -7.901 -12.692 1.00 0.00 N ATOM 363 NH2 ARG A 23 2.798 -5.883 -13.394 1.00 0.00 N ATOM 0 H ARG A 23 -1.621 -7.059 -8.441 1.00 0.00 H new ATOM 0 HA ARG A 23 -0.295 -9.317 -9.456 1.00 0.00 H new ATOM 0 HB2 ARG A 23 0.340 -6.893 -7.873 1.00 0.00 H new ATOM 0 HB3 ARG A 23 1.413 -8.245 -7.571 1.00 0.00 H new ATOM 0 HG2 ARG A 23 2.393 -6.953 -9.333 1.00 0.00 H new ATOM 0 HG3 ARG A 23 1.789 -8.429 -10.060 1.00 0.00 H new ATOM 0 HD2 ARG A 23 -0.066 -7.336 -11.051 1.00 0.00 H new ATOM 0 HD3 ARG A 23 0.050 -5.956 -9.977 1.00 0.00 H new ATOM 0 HE ARG A 23 1.565 -4.972 -11.434 1.00 0.00 H new ATOM 0 HH11 ARG A 23 1.402 -8.446 -12.035 1.00 0.00 H new ATOM 0 HH12 ARG A 23 2.432 -8.365 -13.468 1.00 0.00 H new ATOM 0 HH21 ARG A 23 2.886 -4.873 -13.278 1.00 0.00 H new ATOM 0 HH22 ARG A 23 3.269 -6.350 -14.169 1.00 0.00 H new ATOM 377 N VAL A 24 -0.537 -9.327 -6.150 1.00 0.00 N ATOM 378 CA VAL A 24 -0.574 -10.200 -4.982 1.00 0.00 C ATOM 379 C VAL A 24 -1.633 -11.287 -5.142 1.00 0.00 C ATOM 380 O VAL A 24 -1.497 -12.385 -4.602 1.00 0.00 O ATOM 381 CB VAL A 24 -0.860 -9.404 -3.695 1.00 0.00 C ATOM 382 CG1 VAL A 24 -0.878 -10.328 -2.486 1.00 0.00 C ATOM 383 CG2 VAL A 24 0.169 -8.297 -3.512 1.00 0.00 C ATOM 0 H VAL A 24 -0.564 -8.331 -5.933 1.00 0.00 H new ATOM 0 HA VAL A 24 0.409 -10.664 -4.902 1.00 0.00 H new ATOM 0 HB VAL A 24 -1.844 -8.944 -3.786 1.00 0.00 H new ATOM 0 HG11 VAL A 24 -1.082 -9.747 -1.587 1.00 0.00 H new ATOM 0 HG12 VAL A 24 -1.655 -11.081 -2.615 1.00 0.00 H new ATOM 0 HG13 VAL A 24 0.090 -10.819 -2.389 1.00 0.00 H new ATOM 0 HG21 VAL A 24 -0.049 -7.745 -2.598 1.00 0.00 H new ATOM 0 HG22 VAL A 24 1.165 -8.734 -3.443 1.00 0.00 H new ATOM 0 HG23 VAL A 24 0.129 -7.618 -4.364 1.00 0.00 H new ATOM 393 N ALA A 25 -2.688 -10.974 -5.888 1.00 0.00 N ATOM 394 CA ALA A 25 -3.768 -11.925 -6.121 1.00 0.00 C ATOM 395 C ALA A 25 -3.262 -13.151 -6.872 1.00 0.00 C ATOM 396 O ALA A 25 -3.515 -14.287 -6.469 1.00 0.00 O ATOM 397 CB ALA A 25 -4.899 -11.262 -6.890 1.00 0.00 C ATOM 0 H ALA A 25 -2.817 -10.069 -6.341 1.00 0.00 H new ATOM 0 HA ALA A 25 -4.147 -12.253 -5.153 1.00 0.00 H new ATOM 0 HB1 ALA A 25 -5.698 -11.984 -7.057 1.00 0.00 H new ATOM 0 HB2 ALA A 25 -5.285 -10.420 -6.316 1.00 0.00 H new ATOM 0 HB3 ALA A 25 -4.526 -10.906 -7.850 1.00 0.00 H new ATOM 403 N ASP A 26 -2.545 -12.915 -7.966 1.00 0.00 N ATOM 404 CA ASP A 26 -2.002 -14.000 -8.774 1.00 0.00 C ATOM 405 C ASP A 26 -0.795 -14.637 -8.093 1.00 0.00 C ATOM 406 O ASP A 26 -0.519 -15.822 -8.281 1.00 0.00 O ATOM 407 CB ASP A 26 -1.605 -13.483 -10.158 1.00 0.00 C ATOM 408 CG ASP A 26 -1.251 -14.602 -11.116 1.00 0.00 C ATOM 409 OD1 ASP A 26 -2.157 -15.381 -11.480 1.00 0.00 O ATOM 410 OD2 ASP A 26 -0.068 -14.700 -11.504 1.00 0.00 O ATOM 0 H ASP A 26 -2.327 -11.981 -8.313 1.00 0.00 H new ATOM 0 HA ASP A 26 -2.777 -14.759 -8.884 1.00 0.00 H new ATOM 0 HB2 ASP A 26 -2.427 -12.900 -10.574 1.00 0.00 H new ATOM 0 HB3 ASP A 26 -0.753 -12.810 -10.060 1.00 0.00 H new ATOM 415 N GLY A 27 -0.080 -13.843 -7.303 1.00 0.00 N ATOM 416 CA GLY A 27 1.086 -14.351 -6.604 1.00 0.00 C ATOM 417 C GLY A 27 2.362 -13.632 -6.997 1.00 0.00 C ATOM 418 O GLY A 27 3.454 -14.189 -6.889 1.00 0.00 O ATOM 0 H GLY A 27 -0.287 -12.858 -7.134 1.00 0.00 H new ATOM 0 HA2 GLY A 27 0.933 -14.250 -5.529 1.00 0.00 H new ATOM 0 HA3 GLY A 27 1.194 -15.415 -6.812 1.00 0.00 H new ATOM 422 N GLU A 28 2.227 -12.388 -7.449 1.00 0.00 N ATOM 423 CA GLU A 28 3.377 -11.596 -7.859 1.00 0.00 C ATOM 424 C GLU A 28 4.028 -10.917 -6.659 1.00 0.00 C ATOM 425 O GLU A 28 3.361 -10.603 -5.674 1.00 0.00 O ATOM 426 CB GLU A 28 2.956 -10.541 -8.883 1.00 0.00 C ATOM 427 CG GLU A 28 2.259 -11.123 -10.103 1.00 0.00 C ATOM 428 CD GLU A 28 2.667 -10.435 -11.390 1.00 0.00 C ATOM 429 OE1 GLU A 28 3.469 -9.480 -11.324 1.00 0.00 O ATOM 430 OE2 GLU A 28 2.188 -10.854 -12.464 1.00 0.00 O ATOM 0 H GLU A 28 1.331 -11.909 -7.540 1.00 0.00 H new ATOM 0 HA GLU A 28 4.104 -12.269 -8.314 1.00 0.00 H new ATOM 0 HB2 GLU A 28 2.290 -9.824 -8.402 1.00 0.00 H new ATOM 0 HB3 GLU A 28 3.838 -9.989 -9.207 1.00 0.00 H new ATOM 0 HG2 GLU A 28 2.488 -12.186 -10.175 1.00 0.00 H new ATOM 0 HG3 GLU A 28 1.180 -11.037 -9.976 1.00 0.00 H new ATOM 437 N ASP A 29 5.333 -10.689 -6.754 1.00 0.00 N ATOM 438 CA ASP A 29 6.073 -10.035 -5.682 1.00 0.00 C ATOM 439 C ASP A 29 5.499 -8.648 -5.398 1.00 0.00 C ATOM 440 O ASP A 29 5.659 -7.731 -6.202 1.00 0.00 O ATOM 441 CB ASP A 29 7.551 -9.915 -6.059 1.00 0.00 C ATOM 442 CG ASP A 29 8.451 -10.721 -5.144 1.00 0.00 C ATOM 443 OD1 ASP A 29 8.597 -10.336 -3.965 1.00 0.00 O ATOM 444 OD2 ASP A 29 9.010 -11.739 -5.606 1.00 0.00 O ATOM 0 H ASP A 29 5.900 -10.947 -7.562 1.00 0.00 H new ATOM 0 HA ASP A 29 5.980 -10.643 -4.782 1.00 0.00 H new ATOM 0 HB2 ASP A 29 7.689 -10.251 -7.087 1.00 0.00 H new ATOM 0 HB3 ASP A 29 7.848 -8.867 -6.024 1.00 0.00 H new ATOM 449 N PRO A 30 4.808 -8.475 -4.257 1.00 0.00 N ATOM 450 CA PRO A 30 4.215 -7.185 -3.889 1.00 0.00 C ATOM 451 C PRO A 30 5.261 -6.084 -3.791 1.00 0.00 C ATOM 452 O PRO A 30 5.052 -4.972 -4.275 1.00 0.00 O ATOM 453 CB PRO A 30 3.583 -7.443 -2.520 1.00 0.00 C ATOM 454 CG PRO A 30 3.433 -8.924 -2.433 1.00 0.00 C ATOM 455 CD PRO A 30 4.562 -9.504 -3.235 1.00 0.00 C ATOM 0 HA PRO A 30 3.499 -6.842 -4.636 1.00 0.00 H new ATOM 0 HB2 PRO A 30 4.214 -7.063 -1.717 1.00 0.00 H new ATOM 0 HB3 PRO A 30 2.618 -6.943 -2.431 1.00 0.00 H new ATOM 0 HG2 PRO A 30 3.478 -9.260 -1.397 1.00 0.00 H new ATOM 0 HG3 PRO A 30 2.469 -9.242 -2.830 1.00 0.00 H new ATOM 0 HD2 PRO A 30 5.444 -9.680 -2.620 1.00 0.00 H new ATOM 0 HD3 PRO A 30 4.289 -10.460 -3.683 1.00 0.00 H new ATOM 463 N LYS A 31 6.398 -6.403 -3.174 1.00 0.00 N ATOM 464 CA LYS A 31 7.484 -5.440 -3.030 1.00 0.00 C ATOM 465 C LYS A 31 7.770 -4.761 -4.364 1.00 0.00 C ATOM 466 O LYS A 31 7.968 -3.548 -4.427 1.00 0.00 O ATOM 467 CB LYS A 31 8.740 -6.129 -2.502 1.00 0.00 C ATOM 468 CG LYS A 31 9.170 -5.639 -1.127 1.00 0.00 C ATOM 469 CD LYS A 31 10.097 -4.439 -1.226 1.00 0.00 C ATOM 470 CE LYS A 31 9.376 -3.146 -0.879 1.00 0.00 C ATOM 471 NZ LYS A 31 9.289 -2.934 0.593 1.00 0.00 N ATOM 0 H LYS A 31 6.589 -7.319 -2.768 1.00 0.00 H new ATOM 0 HA LYS A 31 7.180 -4.679 -2.312 1.00 0.00 H new ATOM 0 HB2 LYS A 31 8.563 -7.204 -2.457 1.00 0.00 H new ATOM 0 HB3 LYS A 31 9.556 -5.969 -3.207 1.00 0.00 H new ATOM 0 HG2 LYS A 31 8.289 -5.372 -0.543 1.00 0.00 H new ATOM 0 HG3 LYS A 31 9.673 -6.445 -0.594 1.00 0.00 H new ATOM 0 HD2 LYS A 31 10.944 -4.576 -0.554 1.00 0.00 H new ATOM 0 HD3 LYS A 31 10.500 -4.372 -2.237 1.00 0.00 H new ATOM 0 HE2 LYS A 31 9.898 -2.306 -1.336 1.00 0.00 H new ATOM 0 HE3 LYS A 31 8.372 -3.166 -1.303 1.00 0.00 H new ATOM 0 HZ1 LYS A 31 8.791 -2.042 0.786 1.00 0.00 H new ATOM 0 HZ2 LYS A 31 8.768 -3.723 1.027 1.00 0.00 H new ATOM 0 HZ3 LYS A 31 10.247 -2.889 0.995 1.00 0.00 H new ATOM 485 N ASP A 32 7.740 -5.546 -5.437 1.00 0.00 N ATOM 486 CA ASP A 32 7.916 -5.002 -6.774 1.00 0.00 C ATOM 487 C ASP A 32 6.760 -4.069 -7.090 1.00 0.00 C ATOM 488 O ASP A 32 6.952 -2.967 -7.608 1.00 0.00 O ATOM 489 CB ASP A 32 7.975 -6.124 -7.812 1.00 0.00 C ATOM 490 CG ASP A 32 9.120 -5.947 -8.789 1.00 0.00 C ATOM 491 OD1 ASP A 32 10.149 -5.357 -8.399 1.00 0.00 O ATOM 492 OD2 ASP A 32 8.987 -6.399 -9.946 1.00 0.00 O ATOM 0 H ASP A 32 7.596 -6.555 -5.405 1.00 0.00 H new ATOM 0 HA ASP A 32 8.856 -4.452 -6.811 1.00 0.00 H new ATOM 0 HB2 ASP A 32 8.081 -7.082 -7.302 1.00 0.00 H new ATOM 0 HB3 ASP A 32 7.034 -6.157 -8.361 1.00 0.00 H new ATOM 497 N VAL A 33 5.555 -4.510 -6.740 1.00 0.00 N ATOM 498 CA VAL A 33 4.364 -3.703 -6.946 1.00 0.00 C ATOM 499 C VAL A 33 4.519 -2.356 -6.259 1.00 0.00 C ATOM 500 O VAL A 33 4.202 -1.321 -6.834 1.00 0.00 O ATOM 501 CB VAL A 33 3.099 -4.397 -6.407 1.00 0.00 C ATOM 502 CG1 VAL A 33 1.867 -3.542 -6.674 1.00 0.00 C ATOM 503 CG2 VAL A 33 2.944 -5.781 -7.019 1.00 0.00 C ATOM 0 H VAL A 33 5.381 -5.420 -6.314 1.00 0.00 H new ATOM 0 HA VAL A 33 4.250 -3.567 -8.021 1.00 0.00 H new ATOM 0 HB VAL A 33 3.203 -4.516 -5.328 1.00 0.00 H new ATOM 0 HG11 VAL A 33 0.982 -4.048 -6.287 1.00 0.00 H new ATOM 0 HG12 VAL A 33 1.979 -2.577 -6.179 1.00 0.00 H new ATOM 0 HG13 VAL A 33 1.756 -3.389 -7.747 1.00 0.00 H new ATOM 0 HG21 VAL A 33 2.045 -6.254 -6.625 1.00 0.00 H new ATOM 0 HG22 VAL A 33 2.863 -5.693 -8.102 1.00 0.00 H new ATOM 0 HG23 VAL A 33 3.813 -6.389 -6.769 1.00 0.00 H new ATOM 513 N LEU A 34 5.031 -2.377 -5.029 1.00 0.00 N ATOM 514 CA LEU A 34 5.248 -1.148 -4.272 1.00 0.00 C ATOM 515 C LEU A 34 6.002 -0.133 -5.117 1.00 0.00 C ATOM 516 O LEU A 34 5.660 1.050 -5.140 1.00 0.00 O ATOM 517 CB LEU A 34 6.027 -1.434 -2.987 1.00 0.00 C ATOM 518 CG LEU A 34 5.186 -1.927 -1.806 1.00 0.00 C ATOM 519 CD1 LEU A 34 4.458 -0.763 -1.152 1.00 0.00 C ATOM 520 CD2 LEU A 34 4.197 -2.992 -2.253 1.00 0.00 C ATOM 0 H LEU A 34 5.302 -3.229 -4.538 1.00 0.00 H new ATOM 0 HA LEU A 34 4.274 -0.737 -4.006 1.00 0.00 H new ATOM 0 HB2 LEU A 34 6.791 -2.180 -3.204 1.00 0.00 H new ATOM 0 HB3 LEU A 34 6.546 -0.524 -2.687 1.00 0.00 H new ATOM 0 HG LEU A 34 5.856 -2.374 -1.072 1.00 0.00 H new ATOM 0 HD11 LEU A 34 3.865 -1.129 -0.314 1.00 0.00 H new ATOM 0 HD12 LEU A 34 5.185 -0.036 -0.791 1.00 0.00 H new ATOM 0 HD13 LEU A 34 3.802 -0.288 -1.881 1.00 0.00 H new ATOM 0 HD21 LEU A 34 3.611 -3.327 -1.397 1.00 0.00 H new ATOM 0 HD22 LEU A 34 3.531 -2.576 -3.008 1.00 0.00 H new ATOM 0 HD23 LEU A 34 4.739 -3.838 -2.675 1.00 0.00 H new ATOM 532 N ASP A 35 7.014 -0.609 -5.832 1.00 0.00 N ATOM 533 CA ASP A 35 7.786 0.253 -6.711 1.00 0.00 C ATOM 534 C ASP A 35 6.872 0.865 -7.766 1.00 0.00 C ATOM 535 O ASP A 35 7.092 1.986 -8.225 1.00 0.00 O ATOM 536 CB ASP A 35 8.912 -0.535 -7.384 1.00 0.00 C ATOM 537 CG ASP A 35 10.151 0.309 -7.612 1.00 0.00 C ATOM 538 OD1 ASP A 35 10.990 0.395 -6.692 1.00 0.00 O ATOM 539 OD2 ASP A 35 10.282 0.882 -8.715 1.00 0.00 O ATOM 0 H ASP A 35 7.316 -1.583 -5.819 1.00 0.00 H new ATOM 0 HA ASP A 35 8.232 1.050 -6.116 1.00 0.00 H new ATOM 0 HB2 ASP A 35 9.170 -1.395 -6.766 1.00 0.00 H new ATOM 0 HB3 ASP A 35 8.559 -0.924 -8.339 1.00 0.00 H new ATOM 544 N ASP A 36 5.829 0.120 -8.127 1.00 0.00 N ATOM 545 CA ASP A 36 4.858 0.578 -9.113 1.00 0.00 C ATOM 546 C ASP A 36 3.766 1.414 -8.448 1.00 0.00 C ATOM 547 O ASP A 36 3.341 2.439 -8.981 1.00 0.00 O ATOM 548 CB ASP A 36 4.232 -0.621 -9.832 1.00 0.00 C ATOM 549 CG ASP A 36 5.067 -1.090 -11.007 1.00 0.00 C ATOM 550 OD1 ASP A 36 6.142 -0.500 -11.245 1.00 0.00 O ATOM 551 OD2 ASP A 36 4.648 -2.049 -11.689 1.00 0.00 O ATOM 0 H ASP A 36 5.636 -0.807 -7.748 1.00 0.00 H new ATOM 0 HA ASP A 36 5.377 1.201 -9.841 1.00 0.00 H new ATOM 0 HB2 ASP A 36 4.110 -1.442 -9.125 1.00 0.00 H new ATOM 0 HB3 ASP A 36 3.236 -0.352 -10.182 1.00 0.00 H new ATOM 556 N LEU A 37 3.323 0.970 -7.275 1.00 0.00 N ATOM 557 CA LEU A 37 2.293 1.671 -6.520 1.00 0.00 C ATOM 558 C LEU A 37 2.632 3.151 -6.393 1.00 0.00 C ATOM 559 O LEU A 37 1.758 4.012 -6.493 1.00 0.00 O ATOM 560 CB LEU A 37 2.156 1.060 -5.124 1.00 0.00 C ATOM 561 CG LEU A 37 1.274 -0.187 -5.033 1.00 0.00 C ATOM 562 CD1 LEU A 37 1.925 -1.235 -4.145 1.00 0.00 C ATOM 563 CD2 LEU A 37 -0.106 0.172 -4.503 1.00 0.00 C ATOM 0 H LEU A 37 3.666 0.121 -6.825 1.00 0.00 H new ATOM 0 HA LEU A 37 1.350 1.569 -7.056 1.00 0.00 H new ATOM 0 HB2 LEU A 37 3.151 0.807 -4.758 1.00 0.00 H new ATOM 0 HB3 LEU A 37 1.753 1.818 -4.453 1.00 0.00 H new ATOM 0 HG LEU A 37 1.162 -0.602 -6.035 1.00 0.00 H new ATOM 0 HD11 LEU A 37 1.284 -2.115 -4.091 1.00 0.00 H new ATOM 0 HD12 LEU A 37 2.892 -1.515 -4.562 1.00 0.00 H new ATOM 0 HD13 LEU A 37 2.066 -0.827 -3.144 1.00 0.00 H new ATOM 0 HD21 LEU A 37 -0.719 -0.727 -4.445 1.00 0.00 H new ATOM 0 HD22 LEU A 37 -0.011 0.611 -3.510 1.00 0.00 H new ATOM 0 HD23 LEU A 37 -0.578 0.890 -5.174 1.00 0.00 H new ATOM 575 N GLY A 38 3.907 3.434 -6.157 1.00 0.00 N ATOM 576 CA GLY A 38 4.348 4.805 -6.007 1.00 0.00 C ATOM 577 C GLY A 38 3.854 5.432 -4.718 1.00 0.00 C ATOM 578 O GLY A 38 3.157 6.445 -4.739 1.00 0.00 O ATOM 0 H GLY A 38 4.645 2.735 -6.067 1.00 0.00 H new ATOM 0 HA2 GLY A 38 5.437 4.838 -6.030 1.00 0.00 H new ATOM 0 HA3 GLY A 38 3.993 5.393 -6.853 1.00 0.00 H new ATOM 582 N LEU A 39 4.216 4.823 -3.593 1.00 0.00 N ATOM 583 CA LEU A 39 3.803 5.321 -2.288 1.00 0.00 C ATOM 584 C LEU A 39 4.938 6.078 -1.604 1.00 0.00 C ATOM 585 O LEU A 39 4.702 6.929 -0.747 1.00 0.00 O ATOM 586 CB LEU A 39 3.337 4.159 -1.408 1.00 0.00 C ATOM 587 CG LEU A 39 2.584 3.055 -2.149 1.00 0.00 C ATOM 588 CD1 LEU A 39 3.554 2.033 -2.721 1.00 0.00 C ATOM 589 CD2 LEU A 39 1.582 2.379 -1.227 1.00 0.00 C ATOM 0 H LEU A 39 4.795 3.984 -3.560 1.00 0.00 H new ATOM 0 HA LEU A 39 2.975 6.015 -2.434 1.00 0.00 H new ATOM 0 HB2 LEU A 39 4.207 3.721 -0.919 1.00 0.00 H new ATOM 0 HB3 LEU A 39 2.694 4.553 -0.621 1.00 0.00 H new ATOM 0 HG LEU A 39 2.039 3.511 -2.976 1.00 0.00 H new ATOM 0 HD11 LEU A 39 2.997 1.256 -3.244 1.00 0.00 H new ATOM 0 HD12 LEU A 39 4.232 2.525 -3.418 1.00 0.00 H new ATOM 0 HD13 LEU A 39 4.129 1.584 -1.911 1.00 0.00 H new ATOM 0 HD21 LEU A 39 1.056 1.596 -1.773 1.00 0.00 H new ATOM 0 HD22 LEU A 39 2.107 1.940 -0.379 1.00 0.00 H new ATOM 0 HD23 LEU A 39 0.864 3.116 -0.867 1.00 0.00 H new ATOM 601 N LYS A 40 6.171 5.769 -1.996 1.00 0.00 N ATOM 602 CA LYS A 40 7.341 6.429 -1.427 1.00 0.00 C ATOM 603 C LYS A 40 7.509 6.078 0.046 1.00 0.00 C ATOM 604 O LYS A 40 6.529 5.932 0.776 1.00 0.00 O ATOM 605 CB LYS A 40 7.223 7.945 -1.588 1.00 0.00 C ATOM 606 CG LYS A 40 6.798 8.379 -2.980 1.00 0.00 C ATOM 607 CD LYS A 40 7.986 8.461 -3.925 1.00 0.00 C ATOM 608 CE LYS A 40 7.649 9.261 -5.174 1.00 0.00 C ATOM 609 NZ LYS A 40 8.858 9.892 -5.773 1.00 0.00 N ATOM 0 H LYS A 40 6.385 5.067 -2.704 1.00 0.00 H new ATOM 0 HA LYS A 40 8.220 6.076 -1.966 1.00 0.00 H new ATOM 0 HB2 LYS A 40 6.503 8.324 -0.863 1.00 0.00 H new ATOM 0 HB3 LYS A 40 8.184 8.403 -1.352 1.00 0.00 H new ATOM 0 HG2 LYS A 40 6.066 7.674 -3.374 1.00 0.00 H new ATOM 0 HG3 LYS A 40 6.307 9.351 -2.925 1.00 0.00 H new ATOM 0 HD2 LYS A 40 8.829 8.923 -3.412 1.00 0.00 H new ATOM 0 HD3 LYS A 40 8.297 7.456 -4.208 1.00 0.00 H new ATOM 0 HE2 LYS A 40 7.180 8.607 -5.908 1.00 0.00 H new ATOM 0 HE3 LYS A 40 6.922 10.034 -4.925 1.00 0.00 H new ATOM 0 HZ1 LYS A 40 8.586 10.428 -6.622 1.00 0.00 H new ATOM 0 HZ2 LYS A 40 9.292 10.536 -5.081 1.00 0.00 H new ATOM 0 HZ3 LYS A 40 9.542 9.153 -6.035 1.00 0.00 H new ATOM 623 N ARG A 41 8.760 5.957 0.480 1.00 0.00 N ATOM 624 CA ARG A 41 9.063 5.627 1.867 1.00 0.00 C ATOM 625 C ARG A 41 8.483 4.267 2.243 1.00 0.00 C ATOM 626 O ARG A 41 7.366 3.929 1.854 1.00 0.00 O ATOM 627 CB ARG A 41 8.511 6.704 2.803 1.00 0.00 C ATOM 628 CG ARG A 41 9.215 8.045 2.669 1.00 0.00 C ATOM 629 CD ARG A 41 10.021 8.379 3.914 1.00 0.00 C ATOM 630 NE ARG A 41 11.458 8.273 3.682 1.00 0.00 N ATOM 631 CZ ARG A 41 12.168 9.184 3.026 1.00 0.00 C ATOM 632 NH1 ARG A 41 11.575 10.266 2.538 1.00 0.00 N ATOM 633 NH2 ARG A 41 13.472 9.015 2.858 1.00 0.00 N ATOM 0 H ARG A 41 9.582 6.083 -0.111 1.00 0.00 H new ATOM 0 HA ARG A 41 10.147 5.583 1.974 1.00 0.00 H new ATOM 0 HB2 ARG A 41 7.448 6.839 2.601 1.00 0.00 H new ATOM 0 HB3 ARG A 41 8.599 6.358 3.833 1.00 0.00 H new ATOM 0 HG2 ARG A 41 9.875 8.025 1.802 1.00 0.00 H new ATOM 0 HG3 ARG A 41 8.478 8.828 2.491 1.00 0.00 H new ATOM 0 HD2 ARG A 41 9.781 9.391 4.240 1.00 0.00 H new ATOM 0 HD3 ARG A 41 9.734 7.707 4.722 1.00 0.00 H new ATOM 0 HE ARG A 41 11.945 7.453 4.044 1.00 0.00 H new ATOM 0 HH11 ARG A 41 10.572 10.400 2.666 1.00 0.00 H new ATOM 0 HH12 ARG A 41 12.122 10.964 2.035 1.00 0.00 H new ATOM 0 HH21 ARG A 41 13.931 8.185 3.233 1.00 0.00 H new ATOM 0 HH22 ARG A 41 14.016 9.715 2.354 1.00 0.00 H new ATOM 647 N TYR A 42 9.250 3.492 2.999 1.00 0.00 N ATOM 648 CA TYR A 42 8.809 2.172 3.429 1.00 0.00 C ATOM 649 C TYR A 42 7.869 2.268 4.625 1.00 0.00 C ATOM 650 O TYR A 42 7.120 1.333 4.910 1.00 0.00 O ATOM 651 CB TYR A 42 10.014 1.297 3.781 1.00 0.00 C ATOM 652 CG TYR A 42 10.704 1.705 5.065 1.00 0.00 C ATOM 653 CD1 TYR A 42 10.226 1.280 6.297 1.00 0.00 C ATOM 654 CD2 TYR A 42 11.830 2.518 5.041 1.00 0.00 C ATOM 655 CE1 TYR A 42 10.853 1.652 7.472 1.00 0.00 C ATOM 656 CE2 TYR A 42 12.462 2.893 6.212 1.00 0.00 C ATOM 657 CZ TYR A 42 11.969 2.459 7.424 1.00 0.00 C ATOM 658 OH TYR A 42 12.596 2.830 8.591 1.00 0.00 O ATOM 0 H TYR A 42 10.180 3.755 3.327 1.00 0.00 H new ATOM 0 HA TYR A 42 8.265 1.715 2.602 1.00 0.00 H new ATOM 0 HB2 TYR A 42 9.687 0.261 3.867 1.00 0.00 H new ATOM 0 HB3 TYR A 42 10.733 1.337 2.963 1.00 0.00 H new ATOM 0 HD1 TYR A 42 9.351 0.649 6.338 1.00 0.00 H new ATOM 0 HD2 TYR A 42 12.218 2.862 4.094 1.00 0.00 H new ATOM 0 HE1 TYR A 42 10.470 1.312 8.423 1.00 0.00 H new ATOM 0 HE2 TYR A 42 13.338 3.523 6.177 1.00 0.00 H new ATOM 0 HH TYR A 42 13.367 3.398 8.382 1.00 0.00 H new ATOM 668 N CYS A 43 7.902 3.404 5.320 1.00 0.00 N ATOM 669 CA CYS A 43 7.037 3.615 6.476 1.00 0.00 C ATOM 670 C CYS A 43 5.601 3.205 6.156 1.00 0.00 C ATOM 671 O CYS A 43 4.872 2.722 7.022 1.00 0.00 O ATOM 672 CB CYS A 43 7.089 5.081 6.914 1.00 0.00 C ATOM 673 SG CYS A 43 6.685 6.263 5.608 1.00 0.00 S ATOM 0 H CYS A 43 8.516 4.189 5.103 1.00 0.00 H new ATOM 0 HA CYS A 43 7.396 2.992 7.295 1.00 0.00 H new ATOM 0 HB2 CYS A 43 6.398 5.225 7.744 1.00 0.00 H new ATOM 0 HB3 CYS A 43 8.088 5.300 7.290 1.00 0.00 H new ATOM 678 N CYS A 44 5.215 3.382 4.896 1.00 0.00 N ATOM 679 CA CYS A 44 3.888 2.988 4.435 1.00 0.00 C ATOM 680 C CYS A 44 3.892 1.533 3.983 1.00 0.00 C ATOM 681 O CYS A 44 3.137 0.709 4.497 1.00 0.00 O ATOM 682 CB CYS A 44 3.428 3.886 3.282 1.00 0.00 C ATOM 683 SG CYS A 44 3.969 5.607 3.409 1.00 0.00 S ATOM 0 H CYS A 44 5.804 3.797 4.174 1.00 0.00 H new ATOM 0 HA CYS A 44 3.193 3.100 5.267 1.00 0.00 H new ATOM 0 HB2 CYS A 44 3.798 3.470 2.345 1.00 0.00 H new ATOM 0 HB3 CYS A 44 2.339 3.863 3.233 1.00 0.00 H new ATOM 688 N ARG A 45 4.761 1.221 3.022 1.00 0.00 N ATOM 689 CA ARG A 45 4.862 -0.132 2.480 1.00 0.00 C ATOM 690 C ARG A 45 4.836 -1.183 3.583 1.00 0.00 C ATOM 691 O ARG A 45 4.005 -2.087 3.561 1.00 0.00 O ATOM 692 CB ARG A 45 6.144 -0.282 1.659 1.00 0.00 C ATOM 693 CG ARG A 45 6.407 0.881 0.720 1.00 0.00 C ATOM 694 CD ARG A 45 7.473 0.537 -0.310 1.00 0.00 C ATOM 695 NE ARG A 45 8.717 1.264 -0.074 1.00 0.00 N ATOM 696 CZ ARG A 45 9.822 1.086 -0.792 1.00 0.00 C ATOM 697 NH1 ARG A 45 9.834 0.211 -1.788 1.00 0.00 N ATOM 698 NH2 ARG A 45 10.914 1.785 -0.516 1.00 0.00 N ATOM 0 H ARG A 45 5.407 1.890 2.602 1.00 0.00 H new ATOM 0 HA ARG A 45 3.996 -0.291 1.837 1.00 0.00 H new ATOM 0 HB2 ARG A 45 6.990 -0.387 2.338 1.00 0.00 H new ATOM 0 HB3 ARG A 45 6.087 -1.202 1.077 1.00 0.00 H new ATOM 0 HG2 ARG A 45 5.483 1.155 0.211 1.00 0.00 H new ATOM 0 HG3 ARG A 45 6.723 1.751 1.296 1.00 0.00 H new ATOM 0 HD2 ARG A 45 7.669 -0.535 -0.284 1.00 0.00 H new ATOM 0 HD3 ARG A 45 7.101 0.769 -1.308 1.00 0.00 H new ATOM 0 HE ARG A 45 8.740 1.946 0.684 1.00 0.00 H new ATOM 0 HH11 ARG A 45 8.995 -0.327 -2.004 1.00 0.00 H new ATOM 0 HH12 ARG A 45 10.682 0.076 -2.338 1.00 0.00 H new ATOM 0 HH21 ARG A 45 10.907 2.461 0.248 1.00 0.00 H new ATOM 0 HH22 ARG A 45 11.761 1.647 -1.068 1.00 0.00 H new ATOM 712 N ARG A 46 5.748 -1.057 4.548 1.00 0.00 N ATOM 713 CA ARG A 46 5.846 -2.009 5.658 1.00 0.00 C ATOM 714 C ARG A 46 4.469 -2.438 6.156 1.00 0.00 C ATOM 715 O ARG A 46 4.226 -3.620 6.402 1.00 0.00 O ATOM 716 CB ARG A 46 6.634 -1.397 6.815 1.00 0.00 C ATOM 717 CG ARG A 46 5.924 -0.234 7.489 1.00 0.00 C ATOM 718 CD ARG A 46 6.840 0.487 8.463 1.00 0.00 C ATOM 719 NE ARG A 46 6.134 1.521 9.216 1.00 0.00 N ATOM 720 CZ ARG A 46 6.549 1.997 10.385 1.00 0.00 C ATOM 721 NH1 ARG A 46 7.663 1.535 10.937 1.00 0.00 N ATOM 722 NH2 ARG A 46 5.848 2.936 11.006 1.00 0.00 N ATOM 0 H ARG A 46 6.433 -0.302 4.584 1.00 0.00 H new ATOM 0 HA ARG A 46 6.366 -2.891 5.284 1.00 0.00 H new ATOM 0 HB2 ARG A 46 6.832 -2.170 7.557 1.00 0.00 H new ATOM 0 HB3 ARG A 46 7.601 -1.056 6.445 1.00 0.00 H new ATOM 0 HG2 ARG A 46 5.572 0.467 6.732 1.00 0.00 H new ATOM 0 HG3 ARG A 46 5.044 -0.600 8.018 1.00 0.00 H new ATOM 0 HD2 ARG A 46 7.272 -0.235 9.156 1.00 0.00 H new ATOM 0 HD3 ARG A 46 7.668 0.938 7.916 1.00 0.00 H new ATOM 0 HE ARG A 46 5.273 1.899 8.821 1.00 0.00 H new ATOM 0 HH11 ARG A 46 8.205 0.812 10.464 1.00 0.00 H new ATOM 0 HH12 ARG A 46 7.978 1.903 11.835 1.00 0.00 H new ATOM 0 HH21 ARG A 46 4.990 3.293 10.586 1.00 0.00 H new ATOM 0 HH22 ARG A 46 6.167 3.301 11.903 1.00 0.00 H new ATOM 736 N MET A 47 3.573 -1.470 6.298 1.00 0.00 N ATOM 737 CA MET A 47 2.221 -1.747 6.758 1.00 0.00 C ATOM 738 C MET A 47 1.356 -2.270 5.617 1.00 0.00 C ATOM 739 O MET A 47 0.431 -3.054 5.831 1.00 0.00 O ATOM 740 CB MET A 47 1.591 -0.479 7.334 1.00 0.00 C ATOM 741 CG MET A 47 2.347 0.103 8.517 1.00 0.00 C ATOM 742 SD MET A 47 1.459 1.457 9.315 1.00 0.00 S ATOM 743 CE MET A 47 0.667 2.232 7.906 1.00 0.00 C ATOM 0 H MET A 47 3.759 -0.487 6.101 1.00 0.00 H new ATOM 0 HA MET A 47 2.278 -2.510 7.534 1.00 0.00 H new ATOM 0 HB2 MET A 47 1.531 0.274 6.548 1.00 0.00 H new ATOM 0 HB3 MET A 47 0.569 -0.701 7.642 1.00 0.00 H new ATOM 0 HG2 MET A 47 2.532 -0.685 9.247 1.00 0.00 H new ATOM 0 HG3 MET A 47 3.320 0.461 8.180 1.00 0.00 H new ATOM 0 HE1 MET A 47 0.595 3.306 8.075 1.00 0.00 H new ATOM 0 HE2 MET A 47 1.256 2.044 7.009 1.00 0.00 H new ATOM 0 HE3 MET A 47 -0.333 1.817 7.777 1.00 0.00 H new ATOM 753 N LEU A 48 1.660 -1.815 4.407 1.00 0.00 N ATOM 754 CA LEU A 48 0.894 -2.196 3.226 1.00 0.00 C ATOM 755 C LEU A 48 1.285 -3.576 2.707 1.00 0.00 C ATOM 756 O LEU A 48 0.477 -4.504 2.721 1.00 0.00 O ATOM 757 CB LEU A 48 1.091 -1.164 2.116 1.00 0.00 C ATOM 758 CG LEU A 48 0.851 0.283 2.536 1.00 0.00 C ATOM 759 CD1 LEU A 48 1.627 1.236 1.641 1.00 0.00 C ATOM 760 CD2 LEU A 48 -0.633 0.607 2.502 1.00 0.00 C ATOM 0 H LEU A 48 2.435 -1.179 4.218 1.00 0.00 H new ATOM 0 HA LEU A 48 -0.155 -2.233 3.522 1.00 0.00 H new ATOM 0 HB2 LEU A 48 2.108 -1.252 1.734 1.00 0.00 H new ATOM 0 HB3 LEU A 48 0.419 -1.405 1.292 1.00 0.00 H new ATOM 0 HG LEU A 48 1.207 0.408 3.558 1.00 0.00 H new ATOM 0 HD11 LEU A 48 1.443 2.263 1.957 1.00 0.00 H new ATOM 0 HD12 LEU A 48 2.693 1.019 1.716 1.00 0.00 H new ATOM 0 HD13 LEU A 48 1.303 1.110 0.608 1.00 0.00 H new ATOM 0 HD21 LEU A 48 -0.786 1.643 2.804 1.00 0.00 H new ATOM 0 HD22 LEU A 48 -1.014 0.464 1.491 1.00 0.00 H new ATOM 0 HD23 LEU A 48 -1.165 -0.053 3.187 1.00 0.00 H new ATOM 772 N ILE A 49 2.519 -3.699 2.213 1.00 0.00 N ATOM 773 CA ILE A 49 2.995 -4.958 1.627 1.00 0.00 C ATOM 774 C ILE A 49 2.536 -6.176 2.425 1.00 0.00 C ATOM 775 O ILE A 49 2.352 -7.259 1.869 1.00 0.00 O ATOM 776 CB ILE A 49 4.533 -5.002 1.502 1.00 0.00 C ATOM 777 CG1 ILE A 49 5.197 -4.293 2.681 1.00 0.00 C ATOM 778 CG2 ILE A 49 4.978 -4.379 0.188 1.00 0.00 C ATOM 779 CD1 ILE A 49 6.412 -5.019 3.215 1.00 0.00 C ATOM 0 H ILE A 49 3.206 -2.946 2.206 1.00 0.00 H new ATOM 0 HA ILE A 49 2.555 -4.995 0.631 1.00 0.00 H new ATOM 0 HB ILE A 49 4.844 -6.046 1.515 1.00 0.00 H new ATOM 0 HG12 ILE A 49 5.490 -3.289 2.373 1.00 0.00 H new ATOM 0 HG13 ILE A 49 4.469 -4.180 3.484 1.00 0.00 H new ATOM 0 HG21 ILE A 49 6.065 -4.418 0.116 1.00 0.00 H new ATOM 0 HG22 ILE A 49 4.539 -4.931 -0.643 1.00 0.00 H new ATOM 0 HG23 ILE A 49 4.649 -3.341 0.148 1.00 0.00 H new ATOM 0 HD11 ILE A 49 6.832 -4.459 4.050 1.00 0.00 H new ATOM 0 HD12 ILE A 49 6.122 -6.013 3.554 1.00 0.00 H new ATOM 0 HD13 ILE A 49 7.159 -5.108 2.426 1.00 0.00 H new ATOM 791 N SER A 50 2.342 -5.996 3.727 1.00 0.00 N ATOM 792 CA SER A 50 1.921 -7.094 4.588 1.00 0.00 C ATOM 793 C SER A 50 0.407 -7.275 4.569 1.00 0.00 C ATOM 794 O SER A 50 -0.114 -8.185 3.924 1.00 0.00 O ATOM 795 CB SER A 50 2.383 -6.838 6.025 1.00 0.00 C ATOM 796 OG SER A 50 3.275 -7.848 6.463 1.00 0.00 O ATOM 0 H SER A 50 2.469 -5.105 4.207 1.00 0.00 H new ATOM 0 HA SER A 50 2.379 -8.007 4.206 1.00 0.00 H new ATOM 0 HB2 SER A 50 2.872 -5.866 6.085 1.00 0.00 H new ATOM 0 HB3 SER A 50 1.518 -6.801 6.687 1.00 0.00 H new ATOM 0 HG SER A 50 3.556 -7.660 7.383 1.00 0.00 H new ATOM 802 N HIS A 51 -0.290 -6.420 5.310 1.00 0.00 N ATOM 803 CA HIS A 51 -1.740 -6.503 5.425 1.00 0.00 C ATOM 804 C HIS A 51 -2.451 -5.704 4.339 1.00 0.00 C ATOM 805 O HIS A 51 -3.124 -6.270 3.477 1.00 0.00 O ATOM 806 CB HIS A 51 -2.170 -5.994 6.799 1.00 0.00 C ATOM 807 CG HIS A 51 -1.640 -6.810 7.933 1.00 0.00 C ATOM 808 ND1 HIS A 51 -2.301 -7.926 8.389 1.00 0.00 N ATOM 809 CD2 HIS A 51 -0.516 -6.630 8.664 1.00 0.00 C ATOM 810 CE1 HIS A 51 -1.568 -8.399 9.381 1.00 0.00 C ATOM 811 NE2 HIS A 51 -0.478 -7.646 9.584 1.00 0.00 N ATOM 0 H HIS A 51 0.130 -5.658 5.842 1.00 0.00 H new ATOM 0 HA HIS A 51 -2.023 -7.548 5.301 1.00 0.00 H new ATOM 0 HB2 HIS A 51 -1.835 -4.963 6.916 1.00 0.00 H new ATOM 0 HB3 HIS A 51 -3.259 -5.983 6.848 1.00 0.00 H new ATOM 0 HD2 HIS A 51 0.210 -5.840 8.546 1.00 0.00 H new ATOM 0 HE1 HIS A 51 -1.815 -9.280 9.955 1.00 0.00 H new ATOM 0 HE2 HIS A 51 0.243 -7.800 10.289 1.00 0.00 H new ATOM 819 N VAL A 52 -2.354 -4.382 4.434 1.00 0.00 N ATOM 820 CA VAL A 52 -3.024 -3.481 3.500 1.00 0.00 C ATOM 821 C VAL A 52 -4.476 -3.905 3.275 1.00 0.00 C ATOM 822 O VAL A 52 -5.044 -3.676 2.207 1.00 0.00 O ATOM 823 CB VAL A 52 -2.294 -3.412 2.145 1.00 0.00 C ATOM 824 CG1 VAL A 52 -2.405 -4.734 1.406 1.00 0.00 C ATOM 825 CG2 VAL A 52 -2.838 -2.265 1.308 1.00 0.00 C ATOM 0 H VAL A 52 -1.812 -3.906 5.156 1.00 0.00 H new ATOM 0 HA VAL A 52 -3.004 -2.489 3.952 1.00 0.00 H new ATOM 0 HB VAL A 52 -1.236 -3.224 2.329 1.00 0.00 H new ATOM 0 HG11 VAL A 52 -1.883 -4.663 0.452 1.00 0.00 H new ATOM 0 HG12 VAL A 52 -1.957 -5.525 2.007 1.00 0.00 H new ATOM 0 HG13 VAL A 52 -3.455 -4.964 1.228 1.00 0.00 H new ATOM 0 HG21 VAL A 52 -2.312 -2.229 0.354 1.00 0.00 H new ATOM 0 HG22 VAL A 52 -3.903 -2.417 1.130 1.00 0.00 H new ATOM 0 HG23 VAL A 52 -2.690 -1.325 1.839 1.00 0.00 H new ATOM 835 N GLU A 53 -5.065 -4.526 4.293 1.00 0.00 N ATOM 836 CA GLU A 53 -6.447 -4.987 4.218 1.00 0.00 C ATOM 837 C GLU A 53 -6.632 -5.981 3.072 1.00 0.00 C ATOM 838 O GLU A 53 -6.514 -7.191 3.268 1.00 0.00 O ATOM 839 CB GLU A 53 -7.398 -3.799 4.053 1.00 0.00 C ATOM 840 CG GLU A 53 -7.854 -3.199 5.372 1.00 0.00 C ATOM 841 CD GLU A 53 -8.240 -1.738 5.244 1.00 0.00 C ATOM 842 OE1 GLU A 53 -7.694 -1.055 4.353 1.00 0.00 O ATOM 843 OE2 GLU A 53 -9.090 -1.278 6.036 1.00 0.00 O ATOM 0 H GLU A 53 -4.605 -4.722 5.182 1.00 0.00 H new ATOM 0 HA GLU A 53 -6.684 -5.498 5.151 1.00 0.00 H new ATOM 0 HB2 GLU A 53 -6.903 -3.027 3.464 1.00 0.00 H new ATOM 0 HB3 GLU A 53 -8.273 -4.120 3.487 1.00 0.00 H new ATOM 0 HG2 GLU A 53 -8.706 -3.765 5.749 1.00 0.00 H new ATOM 0 HG3 GLU A 53 -7.055 -3.297 6.107 1.00 0.00 H new ATOM 850 N THR A 54 -6.933 -5.470 1.880 1.00 0.00 N ATOM 851 CA THR A 54 -7.133 -6.318 0.706 1.00 0.00 C ATOM 852 C THR A 54 -7.979 -7.545 1.037 1.00 0.00 C ATOM 853 O THR A 54 -7.637 -8.667 0.662 1.00 0.00 O ATOM 854 CB THR A 54 -5.789 -6.783 0.114 1.00 0.00 C ATOM 855 OG1 THR A 54 -4.840 -7.006 1.165 1.00 0.00 O ATOM 856 CG2 THR A 54 -5.241 -5.753 -0.861 1.00 0.00 C ATOM 0 H THR A 54 -7.044 -4.472 1.701 1.00 0.00 H new ATOM 0 HA THR A 54 -7.660 -5.710 -0.029 1.00 0.00 H new ATOM 0 HB THR A 54 -5.959 -7.715 -0.425 1.00 0.00 H new ATOM 0 HG1 THR A 54 -5.212 -7.641 1.812 1.00 0.00 H new ATOM 0 HG21 THR A 54 -4.292 -6.104 -1.266 1.00 0.00 H new ATOM 0 HG22 THR A 54 -5.951 -5.609 -1.675 1.00 0.00 H new ATOM 0 HG23 THR A 54 -5.087 -4.807 -0.342 1.00 0.00 H new ATOM 864 N TRP A 55 -9.085 -7.327 1.742 1.00 0.00 N ATOM 865 CA TRP A 55 -9.977 -8.417 2.125 1.00 0.00 C ATOM 866 C TRP A 55 -10.316 -9.295 0.925 1.00 0.00 C ATOM 867 O TRP A 55 -10.076 -8.851 -0.218 1.00 0.00 O ATOM 868 CB TRP A 55 -11.261 -7.859 2.740 1.00 0.00 C ATOM 869 CG TRP A 55 -11.425 -8.201 4.190 1.00 0.00 C ATOM 870 CD1 TRP A 55 -10.429 -8.384 5.106 1.00 0.00 C ATOM 871 CD2 TRP A 55 -12.658 -8.399 4.890 1.00 0.00 C ATOM 872 NE1 TRP A 55 -10.967 -8.684 6.334 1.00 0.00 N ATOM 873 CE2 TRP A 55 -12.334 -8.700 6.227 1.00 0.00 C ATOM 874 CE3 TRP A 55 -14.005 -8.352 4.518 1.00 0.00 C ATOM 875 CZ2 TRP A 55 -13.307 -8.953 7.191 1.00 0.00 C ATOM 876 CZ3 TRP A 55 -14.970 -8.603 5.475 1.00 0.00 C ATOM 877 CH2 TRP A 55 -14.617 -8.900 6.797 1.00 0.00 C ATOM 878 OXT TRP A 55 -10.816 -10.419 1.137 1.00 0.00 O ATOM 0 H TRP A 55 -9.385 -6.405 2.060 1.00 0.00 H new ATOM 0 HA TRP A 55 -9.462 -9.030 2.865 1.00 0.00 H new ATOM 0 HB2 TRP A 55 -11.268 -6.775 2.627 1.00 0.00 H new ATOM 0 HB3 TRP A 55 -12.117 -8.242 2.185 1.00 0.00 H new ATOM 0 HD1 TRP A 55 -9.373 -8.305 4.896 1.00 0.00 H new ATOM 0 HE1 TRP A 55 -10.436 -8.865 7.186 1.00 0.00 H new ATOM 0 HE3 TRP A 55 -14.286 -8.124 3.501 1.00 0.00 H new ATOM 0 HZ2 TRP A 55 -13.038 -9.182 8.211 1.00 0.00 H new ATOM 0 HZ3 TRP A 55 -16.013 -8.570 5.199 1.00 0.00 H new ATOM 0 HH2 TRP A 55 -15.395 -9.091 7.521 1.00 0.00 H new TER 889 TRP A 55 HETATM 890 ZN ZN A 56 4.888 7.226 4.782 1.00 0.00 ZN