USER MOD reduce.3.24.130724 H: found=0, std=0, add=602, rem=0, adj=16 USER MOD reduce.3.24.130724 removed 602 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 25 GLN : amide:sc= 0.543 X(o=-1.5,f=-1.4) USER MOD Set 1.2: A 40 THR OG1 : rot 180:sc= -2 USER MOD Single : A 1 VAL N :NH3+ 142:sc= -0.146 (180deg=-1.24) USER MOD Single : A 5 SER OG : rot -63:sc= 0.579 USER MOD Single : A 9 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Single : A 13 SER OG : rot 180:sc= 0 USER MOD Single : A 14 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 19 ASN : amide:sc= -0.427 K(o=-0.43,f=-2.8!) USER MOD Single : A 23 SER OG : rot 180:sc= 0 USER MOD Single : A 24 TYR OH : rot 180:sc= 0 USER MOD Single : A 27 SER OG : rot 78:sc= 0.979 USER MOD Single : A 28 SER OG : rot 180:sc= -0.0203 USER MOD Single : A 30 SER OG : rot 180:sc= 0.116 USER MOD Single : A 31 THR OG1 : rot 180:sc= 0 USER MOD Single : A 34 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 41 THR OG1 : rot 180:sc= 0.00453 USER MOD Single : A 42 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 43 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 45 GLN : amide:sc= -0.367 K(o=-0.37,f=-3.2!) USER MOD Single : A 46 GLN : amide:sc= -0.222 X(o=-0.22,f=0) USER MOD Single : A 47 SER OG : rot 180:sc= -0.311 USER MOD Single : A 52 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 53 GLN : amide:sc= -0.516 K(o=-0.52,f=-3.1!) USER MOD Single : A 57 GLN : amide:sc= 0 K(o=0,f=-0.69) USER MOD Single : A 59 TYR OH : rot 140:sc= 0.428 USER MOD Single : A 60 MET CE :methyl -117:sc= -14.5! (180deg=-19.6!) USER MOD Single : A 61 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 62 ASN : amide:sc= -0.873 K(o=-0.87,f=-2.3!) USER MOD Single : A 66 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 67 GLN : amide:sc= -0.0361 X(o=-0.036,f=0) USER MOD Single : A 68 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 69 LYS NZ :NH3+ -111:sc= 0 (180deg=-0.0995) USER MOD Single : A 71 SER OG : rot 180:sc= 0 USER MOD ----------------------------------------------------------------- ATOM 1 N VAL A 1 -5.809 13.039 6.884 1.00 0.00 N ATOM 2 CA VAL A 1 -5.434 11.609 6.681 1.00 0.00 C ATOM 3 C VAL A 1 -4.275 11.503 5.686 1.00 0.00 C ATOM 4 O VAL A 1 -4.351 10.795 4.701 1.00 0.00 O ATOM 5 CB VAL A 1 -6.693 10.943 6.124 1.00 0.00 C ATOM 6 CG1 VAL A 1 -7.069 11.580 4.783 1.00 0.00 C ATOM 7 CG2 VAL A 1 -6.429 9.448 5.922 1.00 0.00 C ATOM 0 H1 VAL A 1 -6.842 13.118 6.972 1.00 0.00 H new ATOM 0 H2 VAL A 1 -5.359 13.396 7.751 1.00 0.00 H new ATOM 0 H3 VAL A 1 -5.487 13.601 6.070 1.00 0.00 H new ATOM 0 HA VAL A 1 -5.100 11.133 7.603 1.00 0.00 H new ATOM 0 HB VAL A 1 -7.514 11.080 6.828 1.00 0.00 H new ATOM 0 HG11 VAL A 1 -7.967 11.101 4.392 1.00 0.00 H new ATOM 0 HG12 VAL A 1 -7.258 12.644 4.926 1.00 0.00 H new ATOM 0 HG13 VAL A 1 -6.250 11.449 4.076 1.00 0.00 H new ATOM 0 HG21 VAL A 1 -7.325 8.971 5.525 1.00 0.00 H new ATOM 0 HG22 VAL A 1 -5.606 9.315 5.220 1.00 0.00 H new ATOM 0 HG23 VAL A 1 -6.168 8.992 6.877 1.00 0.00 H new ATOM 19 N VAL A 2 -3.205 12.205 5.938 1.00 0.00 N ATOM 20 CA VAL A 2 -2.043 12.155 5.013 1.00 0.00 C ATOM 21 C VAL A 2 -0.838 11.519 5.702 1.00 0.00 C ATOM 22 O VAL A 2 -0.317 12.019 6.678 1.00 0.00 O ATOM 23 CB VAL A 2 -1.763 13.615 4.656 1.00 0.00 C ATOM 24 CG1 VAL A 2 -2.931 14.170 3.839 1.00 0.00 C ATOM 25 CG2 VAL A 2 -1.601 14.451 5.932 1.00 0.00 C ATOM 0 H VAL A 2 -3.087 12.813 6.749 1.00 0.00 H new ATOM 0 HA VAL A 2 -2.244 11.552 4.127 1.00 0.00 H new ATOM 0 HB VAL A 2 -0.842 13.667 4.075 1.00 0.00 H new ATOM 0 HG11 VAL A 2 -2.734 15.211 3.583 1.00 0.00 H new ATOM 0 HG12 VAL A 2 -3.045 13.587 2.925 1.00 0.00 H new ATOM 0 HG13 VAL A 2 -3.847 14.108 4.426 1.00 0.00 H new ATOM 0 HG21 VAL A 2 -1.402 15.489 5.664 1.00 0.00 H new ATOM 0 HG22 VAL A 2 -2.517 14.397 6.521 1.00 0.00 H new ATOM 0 HG23 VAL A 2 -0.769 14.062 6.519 1.00 0.00 H new ATOM 35 N ILE A 3 -0.399 10.409 5.189 1.00 0.00 N ATOM 36 CA ILE A 3 0.773 9.709 5.788 1.00 0.00 C ATOM 37 C ILE A 3 2.059 10.515 5.541 1.00 0.00 C ATOM 38 O ILE A 3 2.235 11.089 4.483 1.00 0.00 O ATOM 39 CB ILE A 3 0.830 8.353 5.064 1.00 0.00 C ATOM 40 CG1 ILE A 3 2.133 7.634 5.429 1.00 0.00 C ATOM 41 CG2 ILE A 3 0.761 8.564 3.541 1.00 0.00 C ATOM 42 CD1 ILE A 3 2.209 6.308 4.681 1.00 0.00 C ATOM 0 H ILE A 3 -0.803 9.950 4.373 1.00 0.00 H new ATOM 0 HA ILE A 3 0.682 9.592 6.868 1.00 0.00 H new ATOM 0 HB ILE A 3 -0.020 7.745 5.374 1.00 0.00 H new ATOM 0 HG12 ILE A 3 2.989 8.258 5.173 1.00 0.00 H new ATOM 0 HG13 ILE A 3 2.176 7.460 6.504 1.00 0.00 H new ATOM 0 HG21 ILE A 3 0.802 7.598 3.038 1.00 0.00 H new ATOM 0 HG22 ILE A 3 -0.172 9.067 3.285 1.00 0.00 H new ATOM 0 HG23 ILE A 3 1.604 9.177 3.220 1.00 0.00 H new ATOM 0 HD11 ILE A 3 3.136 5.796 4.941 1.00 0.00 H new ATOM 0 HD12 ILE A 3 1.360 5.684 4.960 1.00 0.00 H new ATOM 0 HD13 ILE A 3 2.186 6.494 3.607 1.00 0.00 H new ATOM 54 N PRO A 4 2.926 10.529 6.529 1.00 0.00 N ATOM 55 CA PRO A 4 4.207 11.263 6.401 1.00 0.00 C ATOM 56 C PRO A 4 5.174 10.482 5.506 1.00 0.00 C ATOM 57 O PRO A 4 6.155 9.944 5.977 1.00 0.00 O ATOM 58 CB PRO A 4 4.726 11.338 7.834 1.00 0.00 C ATOM 59 CG PRO A 4 4.098 10.180 8.541 1.00 0.00 C ATOM 60 CD PRO A 4 2.800 9.872 7.838 1.00 0.00 C ATOM 0 HA PRO A 4 4.097 12.248 5.947 1.00 0.00 H new ATOM 0 HB2 PRO A 4 5.814 11.274 7.862 1.00 0.00 H new ATOM 0 HB3 PRO A 4 4.450 12.282 8.304 1.00 0.00 H new ATOM 0 HG2 PRO A 4 4.760 9.314 8.522 1.00 0.00 H new ATOM 0 HG3 PRO A 4 3.919 10.421 9.589 1.00 0.00 H new ATOM 0 HD2 PRO A 4 2.652 8.797 7.730 1.00 0.00 H new ATOM 0 HD3 PRO A 4 1.946 10.257 8.395 1.00 0.00 H new ATOM 68 N SER A 5 4.873 10.430 4.222 1.00 0.00 N ATOM 69 CA SER A 5 5.711 9.698 3.196 1.00 0.00 C ATOM 70 C SER A 5 6.957 9.007 3.783 1.00 0.00 C ATOM 71 O SER A 5 8.064 9.467 3.589 1.00 0.00 O ATOM 72 CB SER A 5 6.138 10.786 2.214 1.00 0.00 C ATOM 73 OG SER A 5 7.067 10.242 1.285 1.00 0.00 O ATOM 0 H SER A 5 4.049 10.882 3.826 1.00 0.00 H new ATOM 0 HA SER A 5 5.133 8.890 2.747 1.00 0.00 H new ATOM 0 HB2 SER A 5 5.268 11.179 1.688 1.00 0.00 H new ATOM 0 HB3 SER A 5 6.589 11.620 2.751 1.00 0.00 H new ATOM 0 HG SER A 5 7.871 9.946 1.761 1.00 0.00 H new ATOM 79 N PRO A 6 6.735 7.911 4.469 1.00 0.00 N ATOM 80 CA PRO A 6 7.863 7.152 5.065 1.00 0.00 C ATOM 81 C PRO A 6 8.672 6.472 3.956 1.00 0.00 C ATOM 82 O PRO A 6 8.599 6.860 2.807 1.00 0.00 O ATOM 83 CB PRO A 6 7.175 6.126 5.960 1.00 0.00 C ATOM 84 CG PRO A 6 5.814 5.962 5.376 1.00 0.00 C ATOM 85 CD PRO A 6 5.441 7.283 4.753 1.00 0.00 C ATOM 0 HA PRO A 6 8.565 7.775 5.619 1.00 0.00 H new ATOM 0 HB2 PRO A 6 7.718 5.181 5.968 1.00 0.00 H new ATOM 0 HB3 PRO A 6 7.123 6.473 6.992 1.00 0.00 H new ATOM 0 HG2 PRO A 6 5.808 5.168 4.629 1.00 0.00 H new ATOM 0 HG3 PRO A 6 5.095 5.682 6.146 1.00 0.00 H new ATOM 0 HD2 PRO A 6 4.854 7.146 3.845 1.00 0.00 H new ATOM 0 HD3 PRO A 6 4.841 7.890 5.431 1.00 0.00 H new ATOM 93 N CYS A 7 9.444 5.466 4.275 1.00 0.00 N ATOM 94 CA CYS A 7 10.244 4.787 3.211 1.00 0.00 C ATOM 95 C CYS A 7 10.974 3.563 3.774 1.00 0.00 C ATOM 96 O CYS A 7 11.558 3.611 4.838 1.00 0.00 O ATOM 97 CB CYS A 7 11.253 5.838 2.747 1.00 0.00 C ATOM 98 SG CYS A 7 11.861 5.402 1.098 1.00 0.00 S ATOM 0 H CYS A 7 9.555 5.088 5.216 1.00 0.00 H new ATOM 0 HA CYS A 7 9.614 4.427 2.397 1.00 0.00 H new ATOM 0 HB2 CYS A 7 10.785 6.822 2.726 1.00 0.00 H new ATOM 0 HB3 CYS A 7 12.084 5.895 3.450 1.00 0.00 H new ATOM 103 N CYS A 8 10.957 2.469 3.060 1.00 0.00 N ATOM 104 CA CYS A 8 11.663 1.250 3.546 1.00 0.00 C ATOM 105 C CYS A 8 12.889 0.974 2.672 1.00 0.00 C ATOM 106 O CYS A 8 13.378 1.849 1.985 1.00 0.00 O ATOM 107 CB CYS A 8 10.642 0.114 3.444 1.00 0.00 C ATOM 108 SG CYS A 8 10.091 -0.084 1.728 1.00 0.00 S ATOM 0 H CYS A 8 10.485 2.368 2.162 1.00 0.00 H new ATOM 0 HA CYS A 8 12.024 1.361 4.569 1.00 0.00 H new ATOM 0 HB2 CYS A 8 11.085 -0.816 3.800 1.00 0.00 H new ATOM 0 HB3 CYS A 8 9.787 0.326 4.086 1.00 0.00 H new ATOM 113 N MET A 9 13.404 -0.226 2.696 1.00 0.00 N ATOM 114 CA MET A 9 14.612 -0.524 1.870 1.00 0.00 C ATOM 115 C MET A 9 14.398 -1.759 0.986 1.00 0.00 C ATOM 116 O MET A 9 15.194 -2.043 0.112 1.00 0.00 O ATOM 117 CB MET A 9 15.730 -0.774 2.885 1.00 0.00 C ATOM 118 CG MET A 9 15.437 -2.049 3.681 1.00 0.00 C ATOM 119 SD MET A 9 16.048 -1.860 5.374 1.00 0.00 S ATOM 120 CE MET A 9 14.553 -1.119 6.074 1.00 0.00 C ATOM 0 H MET A 9 13.046 -1.007 3.246 1.00 0.00 H new ATOM 0 HA MET A 9 14.844 0.295 1.189 1.00 0.00 H new ATOM 0 HB2 MET A 9 16.686 -0.868 2.370 1.00 0.00 H new ATOM 0 HB3 MET A 9 15.815 0.076 3.562 1.00 0.00 H new ATOM 0 HG2 MET A 9 14.365 -2.246 3.690 1.00 0.00 H new ATOM 0 HG3 MET A 9 15.914 -2.905 3.205 1.00 0.00 H new ATOM 0 HE1 MET A 9 14.710 -0.915 7.133 1.00 0.00 H new ATOM 0 HE2 MET A 9 14.331 -0.187 5.554 1.00 0.00 H new ATOM 0 HE3 MET A 9 13.716 -1.808 5.957 1.00 0.00 H new ATOM 130 N PHE A 10 13.346 -2.502 1.198 1.00 0.00 N ATOM 131 CA PHE A 10 13.121 -3.713 0.355 1.00 0.00 C ATOM 132 C PHE A 10 11.762 -3.647 -0.346 1.00 0.00 C ATOM 133 O PHE A 10 10.844 -2.993 0.109 1.00 0.00 O ATOM 134 CB PHE A 10 13.170 -4.900 1.332 1.00 0.00 C ATOM 135 CG PHE A 10 11.903 -4.947 2.168 1.00 0.00 C ATOM 136 CD1 PHE A 10 10.743 -5.546 1.655 1.00 0.00 C ATOM 137 CD2 PHE A 10 11.891 -4.382 3.448 1.00 0.00 C ATOM 138 CE1 PHE A 10 9.574 -5.578 2.426 1.00 0.00 C ATOM 139 CE2 PHE A 10 10.721 -4.415 4.217 1.00 0.00 C ATOM 140 CZ PHE A 10 9.564 -5.012 3.707 1.00 0.00 C ATOM 0 H PHE A 10 12.638 -2.326 1.911 1.00 0.00 H new ATOM 0 HA PHE A 10 13.870 -3.801 -0.432 1.00 0.00 H new ATOM 0 HB2 PHE A 10 13.283 -5.832 0.778 1.00 0.00 H new ATOM 0 HB3 PHE A 10 14.040 -4.809 1.982 1.00 0.00 H new ATOM 0 HD1 PHE A 10 10.751 -5.982 0.667 1.00 0.00 H new ATOM 0 HD2 PHE A 10 12.784 -3.920 3.843 1.00 0.00 H new ATOM 0 HE1 PHE A 10 8.680 -6.039 2.033 1.00 0.00 H new ATOM 0 HE2 PHE A 10 10.712 -3.979 5.205 1.00 0.00 H new ATOM 0 HZ PHE A 10 8.662 -5.037 4.301 1.00 0.00 H new ATOM 150 N PHE A 11 11.619 -4.348 -1.434 1.00 0.00 N ATOM 151 CA PHE A 11 10.314 -4.356 -2.143 1.00 0.00 C ATOM 152 C PHE A 11 9.601 -5.670 -1.838 1.00 0.00 C ATOM 153 O PHE A 11 10.228 -6.682 -1.601 1.00 0.00 O ATOM 154 CB PHE A 11 10.648 -4.252 -3.631 1.00 0.00 C ATOM 155 CG PHE A 11 10.151 -2.930 -4.162 1.00 0.00 C ATOM 156 CD1 PHE A 11 10.401 -1.752 -3.449 1.00 0.00 C ATOM 157 CD2 PHE A 11 9.435 -2.885 -5.362 1.00 0.00 C ATOM 158 CE1 PHE A 11 9.934 -0.527 -3.940 1.00 0.00 C ATOM 159 CE2 PHE A 11 8.970 -1.660 -5.853 1.00 0.00 C ATOM 160 CZ PHE A 11 9.218 -0.481 -5.142 1.00 0.00 C ATOM 0 H PHE A 11 12.350 -4.916 -1.862 1.00 0.00 H new ATOM 0 HA PHE A 11 9.661 -3.539 -1.836 1.00 0.00 H new ATOM 0 HB2 PHE A 11 11.724 -4.336 -3.781 1.00 0.00 H new ATOM 0 HB3 PHE A 11 10.185 -5.074 -4.178 1.00 0.00 H new ATOM 0 HD1 PHE A 11 10.953 -1.788 -2.522 1.00 0.00 H new ATOM 0 HD2 PHE A 11 9.241 -3.795 -5.910 1.00 0.00 H new ATOM 0 HE1 PHE A 11 10.126 0.383 -3.391 1.00 0.00 H new ATOM 0 HE2 PHE A 11 8.419 -1.625 -6.781 1.00 0.00 H new ATOM 0 HZ PHE A 11 8.857 0.464 -5.520 1.00 0.00 H new ATOM 170 N VAL A 12 8.300 -5.662 -1.827 1.00 0.00 N ATOM 171 CA VAL A 12 7.549 -6.915 -1.521 1.00 0.00 C ATOM 172 C VAL A 12 8.096 -8.090 -2.339 1.00 0.00 C ATOM 173 O VAL A 12 8.333 -7.975 -3.525 1.00 0.00 O ATOM 174 CB VAL A 12 6.094 -6.633 -1.922 1.00 0.00 C ATOM 175 CG1 VAL A 12 5.437 -5.737 -0.874 1.00 0.00 C ATOM 176 CG2 VAL A 12 6.045 -5.941 -3.293 1.00 0.00 C ATOM 0 H VAL A 12 7.721 -4.844 -2.016 1.00 0.00 H new ATOM 0 HA VAL A 12 7.641 -7.185 -0.469 1.00 0.00 H new ATOM 0 HB VAL A 12 5.556 -7.579 -1.983 1.00 0.00 H new ATOM 0 HG11 VAL A 12 4.404 -5.538 -1.161 1.00 0.00 H new ATOM 0 HG12 VAL A 12 5.455 -6.237 0.095 1.00 0.00 H new ATOM 0 HG13 VAL A 12 5.982 -4.796 -0.807 1.00 0.00 H new ATOM 0 HG21 VAL A 12 5.008 -5.747 -3.566 1.00 0.00 H new ATOM 0 HG22 VAL A 12 6.590 -4.998 -3.244 1.00 0.00 H new ATOM 0 HG23 VAL A 12 6.502 -6.586 -4.043 1.00 0.00 H new ATOM 186 N SER A 13 8.288 -9.221 -1.718 1.00 0.00 N ATOM 187 CA SER A 13 8.805 -10.397 -2.472 1.00 0.00 C ATOM 188 C SER A 13 7.836 -10.741 -3.606 1.00 0.00 C ATOM 189 O SER A 13 8.194 -11.386 -4.572 1.00 0.00 O ATOM 190 CB SER A 13 8.866 -11.534 -1.454 1.00 0.00 C ATOM 191 OG SER A 13 10.193 -11.648 -0.958 1.00 0.00 O ATOM 0 H SER A 13 8.110 -9.381 -0.726 1.00 0.00 H new ATOM 0 HA SER A 13 9.781 -10.211 -2.920 1.00 0.00 H new ATOM 0 HB2 SER A 13 8.174 -11.341 -0.634 1.00 0.00 H new ATOM 0 HB3 SER A 13 8.557 -12.471 -1.918 1.00 0.00 H new ATOM 0 HG SER A 13 10.236 -12.376 -0.303 1.00 0.00 H new ATOM 197 N LYS A 14 6.610 -10.303 -3.496 1.00 0.00 N ATOM 198 CA LYS A 14 5.612 -10.587 -4.563 1.00 0.00 C ATOM 199 C LYS A 14 4.355 -9.742 -4.336 1.00 0.00 C ATOM 200 O LYS A 14 4.397 -8.711 -3.693 1.00 0.00 O ATOM 201 CB LYS A 14 5.297 -12.079 -4.430 1.00 0.00 C ATOM 202 CG LYS A 14 4.666 -12.349 -3.061 1.00 0.00 C ATOM 203 CD LYS A 14 4.521 -13.857 -2.851 1.00 0.00 C ATOM 204 CE LYS A 14 3.767 -14.117 -1.545 1.00 0.00 C ATOM 205 NZ LYS A 14 2.695 -15.086 -1.904 1.00 0.00 N ATOM 0 H LYS A 14 6.257 -9.759 -2.709 1.00 0.00 H new ATOM 0 HA LYS A 14 5.984 -10.344 -5.558 1.00 0.00 H new ATOM 0 HB2 LYS A 14 4.617 -12.390 -5.223 1.00 0.00 H new ATOM 0 HB3 LYS A 14 6.209 -12.665 -4.544 1.00 0.00 H new ATOM 0 HG2 LYS A 14 5.285 -11.920 -2.273 1.00 0.00 H new ATOM 0 HG3 LYS A 14 3.690 -11.867 -2.998 1.00 0.00 H new ATOM 0 HD2 LYS A 14 3.984 -14.302 -3.689 1.00 0.00 H new ATOM 0 HD3 LYS A 14 5.504 -14.327 -2.816 1.00 0.00 H new ATOM 0 HE2 LYS A 14 4.429 -14.526 -0.782 1.00 0.00 H new ATOM 0 HE3 LYS A 14 3.347 -13.196 -1.142 1.00 0.00 H new ATOM 0 HZ1 LYS A 14 2.135 -15.313 -1.058 1.00 0.00 H new ATOM 0 HZ2 LYS A 14 2.076 -14.667 -2.627 1.00 0.00 H new ATOM 0 HZ3 LYS A 14 3.125 -15.956 -2.278 1.00 0.00 H new ATOM 219 N ARG A 15 3.240 -10.169 -4.858 1.00 0.00 N ATOM 220 CA ARG A 15 1.982 -9.390 -4.672 1.00 0.00 C ATOM 221 C ARG A 15 1.331 -9.755 -3.333 1.00 0.00 C ATOM 222 O ARG A 15 1.847 -10.558 -2.582 1.00 0.00 O ATOM 223 CB ARG A 15 1.092 -9.813 -5.845 1.00 0.00 C ATOM 224 CG ARG A 15 -0.026 -8.789 -6.040 1.00 0.00 C ATOM 225 CD ARG A 15 -1.366 -9.410 -5.636 1.00 0.00 C ATOM 226 NE ARG A 15 -1.824 -10.156 -6.841 1.00 0.00 N ATOM 227 CZ ARG A 15 -3.077 -10.099 -7.207 1.00 0.00 C ATOM 228 NH1 ARG A 15 -3.616 -8.951 -7.514 1.00 0.00 N ATOM 229 NH2 ARG A 15 -3.790 -11.190 -7.269 1.00 0.00 N ATOM 0 H ARG A 15 3.144 -11.024 -5.406 1.00 0.00 H new ATOM 0 HA ARG A 15 2.150 -8.313 -4.654 1.00 0.00 H new ATOM 0 HB2 ARG A 15 1.687 -9.894 -6.755 1.00 0.00 H new ATOM 0 HB3 ARG A 15 0.666 -10.798 -5.654 1.00 0.00 H new ATOM 0 HG2 ARG A 15 0.171 -7.901 -5.439 1.00 0.00 H new ATOM 0 HG3 ARG A 15 -0.061 -8.468 -7.081 1.00 0.00 H new ATOM 0 HD2 ARG A 15 -1.251 -10.075 -4.780 1.00 0.00 H new ATOM 0 HD3 ARG A 15 -2.086 -8.643 -5.349 1.00 0.00 H new ATOM 0 HE ARG A 15 -1.160 -10.711 -7.380 1.00 0.00 H new ATOM 0 HH11 ARG A 15 -3.059 -8.098 -7.468 1.00 0.00 H new ATOM 0 HH12 ARG A 15 -4.594 -8.907 -7.800 1.00 0.00 H new ATOM 0 HH21 ARG A 15 -3.369 -12.088 -7.032 1.00 0.00 H new ATOM 0 HH22 ARG A 15 -4.768 -11.144 -7.555 1.00 0.00 H new ATOM 243 N ILE A 16 0.206 -9.168 -3.025 1.00 0.00 N ATOM 244 CA ILE A 16 -0.474 -9.479 -1.728 1.00 0.00 C ATOM 245 C ILE A 16 -1.925 -9.895 -2.001 1.00 0.00 C ATOM 246 O ILE A 16 -2.480 -9.544 -3.020 1.00 0.00 O ATOM 247 CB ILE A 16 -0.459 -8.180 -0.887 1.00 0.00 C ATOM 248 CG1 ILE A 16 0.682 -7.236 -1.322 1.00 0.00 C ATOM 249 CG2 ILE A 16 -0.281 -8.546 0.588 1.00 0.00 C ATOM 250 CD1 ILE A 16 0.758 -6.028 -0.379 1.00 0.00 C ATOM 0 H ILE A 16 -0.274 -8.486 -3.613 1.00 0.00 H new ATOM 0 HA ILE A 16 0.030 -10.291 -1.204 1.00 0.00 H new ATOM 0 HB ILE A 16 -1.404 -7.659 -1.042 1.00 0.00 H new ATOM 0 HG12 ILE A 16 1.631 -7.773 -1.315 1.00 0.00 H new ATOM 0 HG13 ILE A 16 0.515 -6.898 -2.345 1.00 0.00 H new ATOM 0 HG21 ILE A 16 -0.269 -7.637 1.190 1.00 0.00 H new ATOM 0 HG22 ILE A 16 -1.107 -9.182 0.907 1.00 0.00 H new ATOM 0 HG23 ILE A 16 0.660 -9.080 0.719 1.00 0.00 H new ATOM 0 HD11 ILE A 16 1.567 -5.369 -0.696 1.00 0.00 H new ATOM 0 HD12 ILE A 16 -0.186 -5.484 -0.408 1.00 0.00 H new ATOM 0 HD13 ILE A 16 0.947 -6.372 0.638 1.00 0.00 H new ATOM 262 N PRO A 17 -2.502 -10.620 -1.074 1.00 0.00 N ATOM 263 CA PRO A 17 -3.901 -11.054 -1.227 1.00 0.00 C ATOM 264 C PRO A 17 -4.839 -9.962 -0.697 1.00 0.00 C ATOM 265 O PRO A 17 -4.846 -9.653 0.476 1.00 0.00 O ATOM 266 CB PRO A 17 -3.976 -12.314 -0.377 1.00 0.00 C ATOM 267 CG PRO A 17 -2.880 -12.183 0.638 1.00 0.00 C ATOM 268 CD PRO A 17 -1.923 -11.108 0.177 1.00 0.00 C ATOM 0 HA PRO A 17 -4.197 -11.237 -2.260 1.00 0.00 H new ATOM 0 HB2 PRO A 17 -4.949 -12.403 0.106 1.00 0.00 H new ATOM 0 HB3 PRO A 17 -3.840 -13.207 -0.987 1.00 0.00 H new ATOM 0 HG2 PRO A 17 -3.295 -11.927 1.613 1.00 0.00 H new ATOM 0 HG3 PRO A 17 -2.356 -13.132 0.754 1.00 0.00 H new ATOM 0 HD2 PRO A 17 -1.837 -10.309 0.914 1.00 0.00 H new ATOM 0 HD3 PRO A 17 -0.921 -11.508 0.022 1.00 0.00 H new ATOM 276 N GLU A 18 -5.615 -9.362 -1.563 1.00 0.00 N ATOM 277 CA GLU A 18 -6.544 -8.271 -1.129 1.00 0.00 C ATOM 278 C GLU A 18 -7.298 -8.651 0.151 1.00 0.00 C ATOM 279 O GLU A 18 -7.711 -7.798 0.910 1.00 0.00 O ATOM 280 CB GLU A 18 -7.526 -8.110 -2.291 1.00 0.00 C ATOM 281 CG GLU A 18 -7.969 -6.648 -2.387 1.00 0.00 C ATOM 282 CD GLU A 18 -9.135 -6.403 -1.427 1.00 0.00 C ATOM 283 OE1 GLU A 18 -10.075 -7.180 -1.459 1.00 0.00 O ATOM 284 OE2 GLU A 18 -9.069 -5.444 -0.676 1.00 0.00 O ATOM 0 H GLU A 18 -5.646 -9.581 -2.559 1.00 0.00 H new ATOM 0 HA GLU A 18 -6.003 -7.352 -0.903 1.00 0.00 H new ATOM 0 HB2 GLU A 18 -7.056 -8.420 -3.224 1.00 0.00 H new ATOM 0 HB3 GLU A 18 -8.392 -8.754 -2.141 1.00 0.00 H new ATOM 0 HG2 GLU A 18 -7.137 -5.988 -2.141 1.00 0.00 H new ATOM 0 HG3 GLU A 18 -8.270 -6.415 -3.408 1.00 0.00 H new ATOM 291 N ASN A 19 -7.491 -9.916 0.395 1.00 0.00 N ATOM 292 CA ASN A 19 -8.228 -10.331 1.623 1.00 0.00 C ATOM 293 C ASN A 19 -7.373 -10.107 2.878 1.00 0.00 C ATOM 294 O ASN A 19 -7.852 -10.220 3.989 1.00 0.00 O ATOM 295 CB ASN A 19 -8.515 -11.819 1.433 1.00 0.00 C ATOM 296 CG ASN A 19 -9.407 -12.316 2.570 1.00 0.00 C ATOM 297 OD1 ASN A 19 -9.990 -11.530 3.290 1.00 0.00 O ATOM 298 ND2 ASN A 19 -9.540 -13.600 2.765 1.00 0.00 N ATOM 0 H ASN A 19 -7.172 -10.680 -0.200 1.00 0.00 H new ATOM 0 HA ASN A 19 -9.140 -9.750 1.761 1.00 0.00 H new ATOM 0 HB2 ASN A 19 -9.004 -11.986 0.473 1.00 0.00 H new ATOM 0 HB3 ASN A 19 -7.581 -12.381 1.417 1.00 0.00 H new ATOM 0 HD21 ASN A 19 -10.133 -13.942 3.521 1.00 0.00 H new ATOM 0 HD22 ASN A 19 -9.051 -14.261 2.161 1.00 0.00 H new ATOM 305 N ARG A 20 -6.115 -9.801 2.715 1.00 0.00 N ATOM 306 CA ARG A 20 -5.240 -9.585 3.900 1.00 0.00 C ATOM 307 C ARG A 20 -4.803 -8.124 3.983 1.00 0.00 C ATOM 308 O ARG A 20 -4.583 -7.588 5.051 1.00 0.00 O ATOM 309 CB ARG A 20 -4.037 -10.484 3.648 1.00 0.00 C ATOM 310 CG ARG A 20 -4.451 -11.943 3.837 1.00 0.00 C ATOM 311 CD ARG A 20 -3.311 -12.719 4.503 1.00 0.00 C ATOM 312 NE ARG A 20 -3.364 -14.076 3.895 1.00 0.00 N ATOM 313 CZ ARG A 20 -3.802 -15.089 4.592 1.00 0.00 C ATOM 314 NH1 ARG A 20 -5.073 -15.189 4.869 1.00 0.00 N ATOM 315 NH2 ARG A 20 -2.967 -16.001 5.013 1.00 0.00 N ATOM 0 H ARG A 20 -5.656 -9.691 1.811 1.00 0.00 H new ATOM 0 HA ARG A 20 -5.745 -9.814 4.838 1.00 0.00 H new ATOM 0 HB2 ARG A 20 -3.658 -10.329 2.638 1.00 0.00 H new ATOM 0 HB3 ARG A 20 -3.229 -10.231 4.334 1.00 0.00 H new ATOM 0 HG2 ARG A 20 -5.350 -12.000 4.451 1.00 0.00 H new ATOM 0 HG3 ARG A 20 -4.694 -12.390 2.873 1.00 0.00 H new ATOM 0 HD2 ARG A 20 -2.348 -12.242 4.320 1.00 0.00 H new ATOM 0 HD3 ARG A 20 -3.443 -12.765 5.584 1.00 0.00 H new ATOM 0 HE ARG A 20 -3.058 -14.215 2.932 1.00 0.00 H new ATOM 0 HH11 ARG A 20 -5.724 -14.476 4.541 1.00 0.00 H new ATOM 0 HH12 ARG A 20 -5.416 -15.980 5.414 1.00 0.00 H new ATOM 0 HH21 ARG A 20 -1.973 -15.921 4.797 1.00 0.00 H new ATOM 0 HH22 ARG A 20 -3.309 -16.793 5.558 1.00 0.00 H new ATOM 329 N VAL A 21 -4.667 -7.476 2.863 1.00 0.00 N ATOM 330 CA VAL A 21 -4.234 -6.050 2.879 1.00 0.00 C ATOM 331 C VAL A 21 -5.341 -5.169 3.459 1.00 0.00 C ATOM 332 O VAL A 21 -6.514 -5.440 3.289 1.00 0.00 O ATOM 333 CB VAL A 21 -3.982 -5.681 1.417 1.00 0.00 C ATOM 334 CG1 VAL A 21 -3.401 -4.269 1.356 1.00 0.00 C ATOM 335 CG2 VAL A 21 -2.991 -6.669 0.793 1.00 0.00 C ATOM 0 H VAL A 21 -4.836 -7.869 1.937 1.00 0.00 H new ATOM 0 HA VAL A 21 -3.346 -5.904 3.494 1.00 0.00 H new ATOM 0 HB VAL A 21 -4.920 -5.722 0.863 1.00 0.00 H new ATOM 0 HG11 VAL A 21 -3.217 -3.996 0.317 1.00 0.00 H new ATOM 0 HG12 VAL A 21 -4.107 -3.566 1.797 1.00 0.00 H new ATOM 0 HG13 VAL A 21 -2.463 -4.237 1.911 1.00 0.00 H new ATOM 0 HG21 VAL A 21 -2.816 -6.400 -0.249 1.00 0.00 H new ATOM 0 HG22 VAL A 21 -2.049 -6.634 1.340 1.00 0.00 H new ATOM 0 HG23 VAL A 21 -3.402 -7.677 0.843 1.00 0.00 H new ATOM 345 N VAL A 22 -4.982 -4.116 4.141 1.00 0.00 N ATOM 346 CA VAL A 22 -6.017 -3.228 4.726 1.00 0.00 C ATOM 347 C VAL A 22 -5.837 -1.795 4.240 1.00 0.00 C ATOM 348 O VAL A 22 -6.794 -1.084 4.003 1.00 0.00 O ATOM 349 CB VAL A 22 -5.801 -3.293 6.239 1.00 0.00 C ATOM 350 CG1 VAL A 22 -6.208 -4.665 6.755 1.00 0.00 C ATOM 351 CG2 VAL A 22 -4.331 -3.045 6.589 1.00 0.00 C ATOM 0 H VAL A 22 -4.017 -3.835 4.316 1.00 0.00 H new ATOM 0 HA VAL A 22 -7.020 -3.542 4.437 1.00 0.00 H new ATOM 0 HB VAL A 22 -6.412 -2.520 6.706 1.00 0.00 H new ATOM 0 HG11 VAL A 22 -6.053 -4.709 7.833 1.00 0.00 H new ATOM 0 HG12 VAL A 22 -7.261 -4.840 6.532 1.00 0.00 H new ATOM 0 HG13 VAL A 22 -5.602 -5.431 6.270 1.00 0.00 H new ATOM 0 HG21 VAL A 22 -4.201 -3.096 7.670 1.00 0.00 H new ATOM 0 HG22 VAL A 22 -3.711 -3.804 6.113 1.00 0.00 H new ATOM 0 HG23 VAL A 22 -4.034 -2.058 6.234 1.00 0.00 H new ATOM 361 N SER A 23 -4.620 -1.356 4.110 1.00 0.00 N ATOM 362 CA SER A 23 -4.383 0.041 3.661 1.00 0.00 C ATOM 363 C SER A 23 -2.892 0.267 3.425 1.00 0.00 C ATOM 364 O SER A 23 -2.053 -0.263 4.125 1.00 0.00 O ATOM 365 CB SER A 23 -4.881 0.893 4.818 1.00 0.00 C ATOM 366 OG SER A 23 -4.871 2.263 4.439 1.00 0.00 O ATOM 0 H SER A 23 -3.779 -1.903 4.295 1.00 0.00 H new ATOM 0 HA SER A 23 -4.888 0.280 2.725 1.00 0.00 H new ATOM 0 HB2 SER A 23 -5.890 0.590 5.098 1.00 0.00 H new ATOM 0 HB3 SER A 23 -4.248 0.742 5.693 1.00 0.00 H new ATOM 0 HG SER A 23 -5.194 2.811 5.185 1.00 0.00 H new ATOM 372 N TYR A 24 -2.556 1.024 2.422 1.00 0.00 N ATOM 373 CA TYR A 24 -1.123 1.252 2.113 1.00 0.00 C ATOM 374 C TYR A 24 -0.520 2.449 2.854 1.00 0.00 C ATOM 375 O TYR A 24 -1.096 3.011 3.765 1.00 0.00 O ATOM 376 CB TYR A 24 -1.091 1.484 0.601 1.00 0.00 C ATOM 377 CG TYR A 24 -1.690 2.839 0.210 1.00 0.00 C ATOM 378 CD1 TYR A 24 -2.474 3.598 1.106 1.00 0.00 C ATOM 379 CD2 TYR A 24 -1.451 3.339 -1.079 1.00 0.00 C ATOM 380 CE1 TYR A 24 -3.001 4.832 0.710 1.00 0.00 C ATOM 381 CE2 TYR A 24 -1.981 4.576 -1.470 1.00 0.00 C ATOM 382 CZ TYR A 24 -2.757 5.319 -0.577 1.00 0.00 C ATOM 383 OH TYR A 24 -3.278 6.538 -0.965 1.00 0.00 O ATOM 0 H TYR A 24 -3.215 1.495 1.802 1.00 0.00 H new ATOM 0 HA TYR A 24 -0.522 0.402 2.436 1.00 0.00 H new ATOM 0 HB2 TYR A 24 -0.061 1.429 0.249 1.00 0.00 H new ATOM 0 HB3 TYR A 24 -1.642 0.687 0.101 1.00 0.00 H new ATOM 0 HD1 TYR A 24 -2.668 3.225 2.101 1.00 0.00 H new ATOM 0 HD2 TYR A 24 -0.855 2.767 -1.774 1.00 0.00 H new ATOM 0 HE1 TYR A 24 -3.598 5.410 1.400 1.00 0.00 H new ATOM 0 HE2 TYR A 24 -1.789 4.955 -2.463 1.00 0.00 H new ATOM 0 HH TYR A 24 -3.013 6.728 -1.889 1.00 0.00 H new ATOM 393 N GLN A 25 0.653 2.820 2.433 1.00 0.00 N ATOM 394 CA GLN A 25 1.383 3.963 3.031 1.00 0.00 C ATOM 395 C GLN A 25 2.342 4.491 1.964 1.00 0.00 C ATOM 396 O GLN A 25 3.448 4.011 1.815 1.00 0.00 O ATOM 397 CB GLN A 25 2.147 3.366 4.215 1.00 0.00 C ATOM 398 CG GLN A 25 1.253 3.373 5.456 1.00 0.00 C ATOM 399 CD GLN A 25 0.978 1.937 5.899 1.00 0.00 C ATOM 400 OE1 GLN A 25 1.854 1.266 6.406 1.00 0.00 O ATOM 401 NE2 GLN A 25 -0.214 1.434 5.728 1.00 0.00 N ATOM 0 H GLN A 25 1.151 2.360 1.671 1.00 0.00 H new ATOM 0 HA GLN A 25 0.745 4.783 3.361 1.00 0.00 H new ATOM 0 HB2 GLN A 25 2.458 2.347 3.984 1.00 0.00 H new ATOM 0 HB3 GLN A 25 3.053 3.941 4.404 1.00 0.00 H new ATOM 0 HG2 GLN A 25 1.736 3.926 6.261 1.00 0.00 H new ATOM 0 HG3 GLN A 25 0.315 3.883 5.237 1.00 0.00 H new ATOM 0 HE21 GLN A 25 -0.949 1.998 5.302 1.00 0.00 H new ATOM 0 HE22 GLN A 25 -0.410 0.477 6.020 1.00 0.00 H new ATOM 410 N LEU A 26 1.906 5.436 1.184 1.00 0.00 N ATOM 411 CA LEU A 26 2.772 5.950 0.088 1.00 0.00 C ATOM 412 C LEU A 26 4.076 6.537 0.628 1.00 0.00 C ATOM 413 O LEU A 26 4.171 6.953 1.765 1.00 0.00 O ATOM 414 CB LEU A 26 1.939 7.022 -0.617 1.00 0.00 C ATOM 415 CG LEU A 26 1.365 6.452 -1.918 1.00 0.00 C ATOM 416 CD1 LEU A 26 0.597 7.546 -2.658 1.00 0.00 C ATOM 417 CD2 LEU A 26 2.505 5.940 -2.806 1.00 0.00 C ATOM 0 H LEU A 26 0.988 5.875 1.257 1.00 0.00 H new ATOM 0 HA LEU A 26 3.067 5.151 -0.592 1.00 0.00 H new ATOM 0 HB2 LEU A 26 1.131 7.356 0.034 1.00 0.00 H new ATOM 0 HB3 LEU A 26 2.556 7.894 -0.831 1.00 0.00 H new ATOM 0 HG LEU A 26 0.692 5.627 -1.684 1.00 0.00 H new ATOM 0 HD11 LEU A 26 0.188 7.141 -3.584 1.00 0.00 H new ATOM 0 HD12 LEU A 26 -0.217 7.908 -2.030 1.00 0.00 H new ATOM 0 HD13 LEU A 26 1.271 8.371 -2.889 1.00 0.00 H new ATOM 0 HD21 LEU A 26 2.093 5.535 -3.730 1.00 0.00 H new ATOM 0 HD22 LEU A 26 3.181 6.762 -3.040 1.00 0.00 H new ATOM 0 HD23 LEU A 26 3.053 5.158 -2.280 1.00 0.00 H new ATOM 429 N SER A 27 5.083 6.565 -0.202 1.00 0.00 N ATOM 430 CA SER A 27 6.401 7.110 0.216 1.00 0.00 C ATOM 431 C SER A 27 7.066 7.811 -0.970 1.00 0.00 C ATOM 432 O SER A 27 7.596 7.176 -1.859 1.00 0.00 O ATOM 433 CB SER A 27 7.212 5.884 0.637 1.00 0.00 C ATOM 434 OG SER A 27 8.597 6.166 0.494 1.00 0.00 O ATOM 0 H SER A 27 5.045 6.228 -1.164 1.00 0.00 H new ATOM 0 HA SER A 27 6.320 7.841 1.020 1.00 0.00 H new ATOM 0 HB2 SER A 27 6.987 5.622 1.671 1.00 0.00 H new ATOM 0 HB3 SER A 27 6.939 5.025 0.024 1.00 0.00 H new ATOM 0 HG SER A 27 8.897 6.719 1.245 1.00 0.00 H new ATOM 440 N SER A 28 7.040 9.114 -0.998 1.00 0.00 N ATOM 441 CA SER A 28 7.666 9.842 -2.138 1.00 0.00 C ATOM 442 C SER A 28 8.424 11.071 -1.635 1.00 0.00 C ATOM 443 O SER A 28 7.914 12.173 -1.636 1.00 0.00 O ATOM 444 CB SER A 28 6.497 10.261 -3.027 1.00 0.00 C ATOM 445 OG SER A 28 5.728 9.114 -3.362 1.00 0.00 O ATOM 0 H SER A 28 6.614 9.705 -0.284 1.00 0.00 H new ATOM 0 HA SER A 28 8.388 9.225 -2.673 1.00 0.00 H new ATOM 0 HB2 SER A 28 5.875 10.992 -2.510 1.00 0.00 H new ATOM 0 HB3 SER A 28 6.868 10.742 -3.932 1.00 0.00 H new ATOM 0 HG SER A 28 4.976 9.379 -3.931 1.00 0.00 H new ATOM 451 N ARG A 29 9.642 10.889 -1.205 1.00 0.00 N ATOM 452 CA ARG A 29 10.435 12.046 -0.703 1.00 0.00 C ATOM 453 C ARG A 29 11.600 12.334 -1.653 1.00 0.00 C ATOM 454 O ARG A 29 11.852 11.596 -2.583 1.00 0.00 O ATOM 455 CB ARG A 29 10.951 11.604 0.663 1.00 0.00 C ATOM 456 CG ARG A 29 10.032 12.154 1.752 1.00 0.00 C ATOM 457 CD ARG A 29 10.875 12.799 2.851 1.00 0.00 C ATOM 458 NE ARG A 29 10.520 14.243 2.806 1.00 0.00 N ATOM 459 CZ ARG A 29 10.695 14.990 3.861 1.00 0.00 C ATOM 460 NH1 ARG A 29 9.876 14.894 4.872 1.00 0.00 N ATOM 461 NH2 ARG A 29 11.691 15.832 3.904 1.00 0.00 N ATOM 0 H ARG A 29 10.122 9.989 -1.180 1.00 0.00 H new ATOM 0 HA ARG A 29 9.845 12.960 -0.638 1.00 0.00 H new ATOM 0 HB2 ARG A 29 10.986 10.516 0.716 1.00 0.00 H new ATOM 0 HB3 ARG A 29 11.969 11.964 0.814 1.00 0.00 H new ATOM 0 HG2 ARG A 29 9.346 12.887 1.328 1.00 0.00 H new ATOM 0 HG3 ARG A 29 9.424 11.352 2.169 1.00 0.00 H new ATOM 0 HD2 ARG A 29 10.651 12.367 3.826 1.00 0.00 H new ATOM 0 HD3 ARG A 29 11.940 12.648 2.673 1.00 0.00 H new ATOM 0 HE ARG A 29 10.140 14.649 1.951 1.00 0.00 H new ATOM 0 HH11 ARG A 29 9.099 14.235 4.838 1.00 0.00 H new ATOM 0 HH12 ARG A 29 10.013 15.478 5.697 1.00 0.00 H new ATOM 0 HH21 ARG A 29 12.331 15.905 3.113 1.00 0.00 H new ATOM 0 HH22 ARG A 29 11.829 16.417 4.728 1.00 0.00 H new ATOM 475 N SER A 30 12.313 13.403 -1.424 1.00 0.00 N ATOM 476 CA SER A 30 13.463 13.734 -2.314 1.00 0.00 C ATOM 477 C SER A 30 14.754 13.122 -1.762 1.00 0.00 C ATOM 478 O SER A 30 15.842 13.540 -2.103 1.00 0.00 O ATOM 479 CB SER A 30 13.547 15.260 -2.303 1.00 0.00 C ATOM 480 OG SER A 30 13.215 15.740 -1.007 1.00 0.00 O ATOM 0 H SER A 30 12.150 14.060 -0.661 1.00 0.00 H new ATOM 0 HA SER A 30 13.331 13.340 -3.322 1.00 0.00 H new ATOM 0 HB2 SER A 30 14.552 15.582 -2.576 1.00 0.00 H new ATOM 0 HB3 SER A 30 12.866 15.678 -3.044 1.00 0.00 H new ATOM 0 HG SER A 30 13.270 16.718 -0.997 1.00 0.00 H new ATOM 486 N THR A 31 14.642 12.138 -0.913 1.00 0.00 N ATOM 487 CA THR A 31 15.865 11.506 -0.342 1.00 0.00 C ATOM 488 C THR A 31 15.898 10.012 -0.676 1.00 0.00 C ATOM 489 O THR A 31 16.948 9.434 -0.875 1.00 0.00 O ATOM 490 CB THR A 31 15.751 11.719 1.168 1.00 0.00 C ATOM 491 OG1 THR A 31 14.509 11.201 1.625 1.00 0.00 O ATOM 492 CG2 THR A 31 15.828 13.213 1.481 1.00 0.00 C ATOM 0 H THR A 31 13.758 11.745 -0.590 1.00 0.00 H new ATOM 0 HA THR A 31 16.780 11.938 -0.747 1.00 0.00 H new ATOM 0 HB THR A 31 16.568 11.202 1.671 1.00 0.00 H new ATOM 0 HG1 THR A 31 14.435 11.335 2.593 1.00 0.00 H new ATOM 0 HG21 THR A 31 15.747 13.364 2.557 1.00 0.00 H new ATOM 0 HG22 THR A 31 16.781 13.610 1.130 1.00 0.00 H new ATOM 0 HG23 THR A 31 15.012 13.732 0.979 1.00 0.00 H new ATOM 500 N CYS A 32 14.757 9.386 -0.739 1.00 0.00 N ATOM 501 CA CYS A 32 14.720 7.930 -1.062 1.00 0.00 C ATOM 502 C CYS A 32 14.831 7.722 -2.575 1.00 0.00 C ATOM 503 O CYS A 32 14.029 8.221 -3.339 1.00 0.00 O ATOM 504 CB CYS A 32 13.361 7.447 -0.550 1.00 0.00 C ATOM 505 SG CYS A 32 13.597 6.422 0.924 1.00 0.00 S ATOM 0 H CYS A 32 13.847 9.818 -0.581 1.00 0.00 H new ATOM 0 HA CYS A 32 15.545 7.383 -0.606 1.00 0.00 H new ATOM 0 HB2 CYS A 32 12.726 8.301 -0.314 1.00 0.00 H new ATOM 0 HB3 CYS A 32 12.851 6.875 -1.325 1.00 0.00 H new ATOM 510 N LEU A 33 15.820 6.991 -3.013 1.00 0.00 N ATOM 511 CA LEU A 33 15.981 6.755 -4.477 1.00 0.00 C ATOM 512 C LEU A 33 14.763 6.017 -5.033 1.00 0.00 C ATOM 513 O LEU A 33 13.961 6.574 -5.756 1.00 0.00 O ATOM 514 CB LEU A 33 17.236 5.890 -4.603 1.00 0.00 C ATOM 515 CG LEU A 33 18.472 6.788 -4.620 1.00 0.00 C ATOM 516 CD1 LEU A 33 19.295 6.546 -3.353 1.00 0.00 C ATOM 517 CD2 LEU A 33 19.320 6.462 -5.852 1.00 0.00 C ATOM 0 H LEU A 33 16.523 6.547 -2.422 1.00 0.00 H new ATOM 0 HA LEU A 33 16.069 7.686 -5.037 1.00 0.00 H new ATOM 0 HB2 LEU A 33 17.293 5.190 -3.770 1.00 0.00 H new ATOM 0 HB3 LEU A 33 17.192 5.296 -5.516 1.00 0.00 H new ATOM 0 HG LEU A 33 18.164 7.833 -4.657 1.00 0.00 H new ATOM 0 HD11 LEU A 33 20.177 7.186 -3.364 1.00 0.00 H new ATOM 0 HD12 LEU A 33 18.690 6.777 -2.476 1.00 0.00 H new ATOM 0 HD13 LEU A 33 19.605 5.502 -3.315 1.00 0.00 H new ATOM 0 HD21 LEU A 33 20.202 7.102 -5.866 1.00 0.00 H new ATOM 0 HD22 LEU A 33 19.630 5.418 -5.815 1.00 0.00 H new ATOM 0 HD23 LEU A 33 18.733 6.634 -6.754 1.00 0.00 H new ATOM 529 N LYS A 34 14.620 4.767 -4.700 1.00 0.00 N ATOM 530 CA LYS A 34 13.455 3.989 -5.208 1.00 0.00 C ATOM 531 C LYS A 34 12.153 4.553 -4.632 1.00 0.00 C ATOM 532 O LYS A 34 12.029 4.766 -3.443 1.00 0.00 O ATOM 533 CB LYS A 34 13.687 2.561 -4.716 1.00 0.00 C ATOM 534 CG LYS A 34 12.849 1.591 -5.550 1.00 0.00 C ATOM 535 CD LYS A 34 12.983 0.179 -4.980 1.00 0.00 C ATOM 536 CE LYS A 34 14.413 -0.322 -5.192 1.00 0.00 C ATOM 537 NZ LYS A 34 14.493 -1.588 -4.415 1.00 0.00 N ATOM 0 H LYS A 34 15.259 4.248 -4.098 1.00 0.00 H new ATOM 0 HA LYS A 34 13.368 4.035 -6.294 1.00 0.00 H new ATOM 0 HB2 LYS A 34 14.744 2.305 -4.794 1.00 0.00 H new ATOM 0 HB3 LYS A 34 13.417 2.479 -3.663 1.00 0.00 H new ATOM 0 HG2 LYS A 34 11.803 1.899 -5.544 1.00 0.00 H new ATOM 0 HG3 LYS A 34 13.180 1.608 -6.588 1.00 0.00 H new ATOM 0 HD2 LYS A 34 12.740 0.180 -3.917 1.00 0.00 H new ATOM 0 HD3 LYS A 34 12.275 -0.491 -5.468 1.00 0.00 H new ATOM 0 HE2 LYS A 34 14.619 -0.493 -6.249 1.00 0.00 H new ATOM 0 HE3 LYS A 34 15.143 0.406 -4.838 1.00 0.00 H new ATOM 0 HZ1 LYS A 34 15.446 -1.994 -4.510 1.00 0.00 H new ATOM 0 HZ2 LYS A 34 14.298 -1.393 -3.412 1.00 0.00 H new ATOM 0 HZ3 LYS A 34 13.791 -2.264 -4.779 1.00 0.00 H new ATOM 551 N ALA A 35 11.184 4.799 -5.470 1.00 0.00 N ATOM 552 CA ALA A 35 9.891 5.350 -4.972 1.00 0.00 C ATOM 553 C ALA A 35 8.767 4.330 -5.173 1.00 0.00 C ATOM 554 O ALA A 35 8.378 4.035 -6.287 1.00 0.00 O ATOM 555 CB ALA A 35 9.643 6.598 -5.820 1.00 0.00 C ATOM 0 H ALA A 35 11.231 4.643 -6.477 1.00 0.00 H new ATOM 0 HA ALA A 35 9.921 5.579 -3.907 1.00 0.00 H new ATOM 0 HB1 ALA A 35 8.706 7.065 -5.515 1.00 0.00 H new ATOM 0 HB2 ALA A 35 10.462 7.303 -5.679 1.00 0.00 H new ATOM 0 HB3 ALA A 35 9.583 6.317 -6.872 1.00 0.00 H new ATOM 561 N GLY A 36 8.238 3.792 -4.107 1.00 0.00 N ATOM 562 CA GLY A 36 7.135 2.795 -4.245 1.00 0.00 C ATOM 563 C GLY A 36 6.107 3.027 -3.139 1.00 0.00 C ATOM 564 O GLY A 36 6.143 4.032 -2.455 1.00 0.00 O ATOM 0 H GLY A 36 8.520 3.998 -3.149 1.00 0.00 H new ATOM 0 HA2 GLY A 36 6.663 2.890 -5.223 1.00 0.00 H new ATOM 0 HA3 GLY A 36 7.534 1.783 -4.181 1.00 0.00 H new ATOM 568 N VAL A 37 5.190 2.115 -2.947 1.00 0.00 N ATOM 569 CA VAL A 37 4.178 2.316 -1.872 1.00 0.00 C ATOM 570 C VAL A 37 4.393 1.280 -0.765 1.00 0.00 C ATOM 571 O VAL A 37 5.197 0.382 -0.900 1.00 0.00 O ATOM 572 CB VAL A 37 2.824 2.099 -2.545 1.00 0.00 C ATOM 573 CG1 VAL A 37 1.712 2.545 -1.599 1.00 0.00 C ATOM 574 CG2 VAL A 37 2.734 2.924 -3.835 1.00 0.00 C ATOM 0 H VAL A 37 5.099 1.251 -3.481 1.00 0.00 H new ATOM 0 HA VAL A 37 4.247 3.304 -1.417 1.00 0.00 H new ATOM 0 HB VAL A 37 2.716 1.041 -2.784 1.00 0.00 H new ATOM 0 HG11 VAL A 37 0.744 2.391 -2.077 1.00 0.00 H new ATOM 0 HG12 VAL A 37 1.760 1.961 -0.680 1.00 0.00 H new ATOM 0 HG13 VAL A 37 1.837 3.602 -1.364 1.00 0.00 H new ATOM 0 HG21 VAL A 37 1.764 2.760 -4.305 1.00 0.00 H new ATOM 0 HG22 VAL A 37 2.849 3.982 -3.599 1.00 0.00 H new ATOM 0 HG23 VAL A 37 3.525 2.617 -4.519 1.00 0.00 H new ATOM 584 N ILE A 38 3.687 1.395 0.324 1.00 0.00 N ATOM 585 CA ILE A 38 3.861 0.405 1.427 1.00 0.00 C ATOM 586 C ILE A 38 2.496 -0.171 1.815 1.00 0.00 C ATOM 587 O ILE A 38 1.598 0.550 2.184 1.00 0.00 O ATOM 588 CB ILE A 38 4.475 1.207 2.578 1.00 0.00 C ATOM 589 CG1 ILE A 38 5.920 1.584 2.223 1.00 0.00 C ATOM 590 CG2 ILE A 38 4.471 0.362 3.855 1.00 0.00 C ATOM 591 CD1 ILE A 38 5.951 2.947 1.521 1.00 0.00 C ATOM 0 H ILE A 38 2.999 2.128 0.500 1.00 0.00 H new ATOM 0 HA ILE A 38 4.493 -0.439 1.150 1.00 0.00 H new ATOM 0 HB ILE A 38 3.889 2.112 2.740 1.00 0.00 H new ATOM 0 HG12 ILE A 38 6.528 1.618 3.127 1.00 0.00 H new ATOM 0 HG13 ILE A 38 6.354 0.822 1.575 1.00 0.00 H new ATOM 0 HG21 ILE A 38 4.909 0.936 4.672 1.00 0.00 H new ATOM 0 HG22 ILE A 38 3.446 0.092 4.109 1.00 0.00 H new ATOM 0 HG23 ILE A 38 5.056 -0.544 3.694 1.00 0.00 H new ATOM 0 HD11 ILE A 38 6.981 3.205 1.273 1.00 0.00 H new ATOM 0 HD12 ILE A 38 5.359 2.899 0.607 1.00 0.00 H new ATOM 0 HD13 ILE A 38 5.535 3.707 2.183 1.00 0.00 H new ATOM 603 N PHE A 39 2.323 -1.463 1.726 1.00 0.00 N ATOM 604 CA PHE A 39 0.997 -2.044 2.082 1.00 0.00 C ATOM 605 C PHE A 39 1.067 -2.849 3.376 1.00 0.00 C ATOM 606 O PHE A 39 1.863 -3.754 3.524 1.00 0.00 O ATOM 607 CB PHE A 39 0.619 -2.937 0.907 1.00 0.00 C ATOM 608 CG PHE A 39 0.066 -2.060 -0.178 1.00 0.00 C ATOM 609 CD1 PHE A 39 0.930 -1.270 -0.938 1.00 0.00 C ATOM 610 CD2 PHE A 39 -1.311 -2.016 -0.411 1.00 0.00 C ATOM 611 CE1 PHE A 39 0.417 -0.433 -1.930 1.00 0.00 C ATOM 612 CE2 PHE A 39 -1.823 -1.180 -1.405 1.00 0.00 C ATOM 613 CZ PHE A 39 -0.958 -0.388 -2.167 1.00 0.00 C ATOM 0 H PHE A 39 3.032 -2.133 1.427 1.00 0.00 H new ATOM 0 HA PHE A 39 0.256 -1.264 2.256 1.00 0.00 H new ATOM 0 HB2 PHE A 39 1.490 -3.485 0.548 1.00 0.00 H new ATOM 0 HB3 PHE A 39 -0.120 -3.678 1.213 1.00 0.00 H new ATOM 0 HD1 PHE A 39 1.994 -1.306 -0.759 1.00 0.00 H new ATOM 0 HD2 PHE A 39 -1.979 -2.628 0.177 1.00 0.00 H new ATOM 0 HE1 PHE A 39 1.085 0.181 -2.515 1.00 0.00 H new ATOM 0 HE2 PHE A 39 -2.887 -1.145 -1.586 1.00 0.00 H new ATOM 0 HZ PHE A 39 -1.353 0.257 -2.938 1.00 0.00 H new ATOM 623 N THR A 40 0.220 -2.524 4.312 1.00 0.00 N ATOM 624 CA THR A 40 0.205 -3.258 5.599 1.00 0.00 C ATOM 625 C THR A 40 -0.860 -4.356 5.548 1.00 0.00 C ATOM 626 O THR A 40 -1.924 -4.177 4.992 1.00 0.00 O ATOM 627 CB THR A 40 -0.150 -2.199 6.652 1.00 0.00 C ATOM 628 OG1 THR A 40 0.980 -1.370 6.886 1.00 0.00 O ATOM 629 CG2 THR A 40 -0.568 -2.876 7.965 1.00 0.00 C ATOM 0 H THR A 40 -0.467 -1.774 4.236 1.00 0.00 H new ATOM 0 HA THR A 40 1.155 -3.743 5.823 1.00 0.00 H new ATOM 0 HB THR A 40 -0.980 -1.596 6.284 1.00 0.00 H new ATOM 0 HG1 THR A 40 0.755 -0.692 7.557 1.00 0.00 H new ATOM 0 HG21 THR A 40 -0.817 -2.114 8.704 1.00 0.00 H new ATOM 0 HG22 THR A 40 -1.438 -3.508 7.788 1.00 0.00 H new ATOM 0 HG23 THR A 40 0.254 -3.487 8.337 1.00 0.00 H new ATOM 637 N THR A 41 -0.584 -5.483 6.133 1.00 0.00 N ATOM 638 CA THR A 41 -1.585 -6.582 6.130 1.00 0.00 C ATOM 639 C THR A 41 -2.500 -6.456 7.349 1.00 0.00 C ATOM 640 O THR A 41 -2.274 -5.642 8.223 1.00 0.00 O ATOM 641 CB THR A 41 -0.769 -7.870 6.207 1.00 0.00 C ATOM 642 OG1 THR A 41 0.460 -7.697 5.516 1.00 0.00 O ATOM 643 CG2 THR A 41 -1.557 -9.014 5.572 1.00 0.00 C ATOM 0 H THR A 41 0.291 -5.692 6.614 1.00 0.00 H new ATOM 0 HA THR A 41 -2.220 -6.559 5.245 1.00 0.00 H new ATOM 0 HB THR A 41 -0.566 -8.107 7.251 1.00 0.00 H new ATOM 0 HG1 THR A 41 0.984 -8.524 5.568 1.00 0.00 H new ATOM 0 HG21 THR A 41 -0.973 -9.933 5.628 1.00 0.00 H new ATOM 0 HG22 THR A 41 -2.497 -9.149 6.106 1.00 0.00 H new ATOM 0 HG23 THR A 41 -1.764 -8.778 4.528 1.00 0.00 H new ATOM 651 N LYS A 42 -3.532 -7.254 7.420 1.00 0.00 N ATOM 652 CA LYS A 42 -4.451 -7.173 8.591 1.00 0.00 C ATOM 653 C LYS A 42 -3.880 -7.958 9.780 1.00 0.00 C ATOM 654 O LYS A 42 -4.391 -7.889 10.880 1.00 0.00 O ATOM 655 CB LYS A 42 -5.768 -7.792 8.114 1.00 0.00 C ATOM 656 CG LYS A 42 -5.565 -9.279 7.813 1.00 0.00 C ATOM 657 CD LYS A 42 -6.345 -10.116 8.830 1.00 0.00 C ATOM 658 CE LYS A 42 -7.814 -10.203 8.405 1.00 0.00 C ATOM 659 NZ LYS A 42 -8.544 -10.626 9.633 1.00 0.00 N ATOM 0 H LYS A 42 -3.777 -7.955 6.721 1.00 0.00 H new ATOM 0 HA LYS A 42 -4.587 -6.147 8.932 1.00 0.00 H new ATOM 0 HB2 LYS A 42 -6.536 -7.668 8.878 1.00 0.00 H new ATOM 0 HB3 LYS A 42 -6.120 -7.276 7.221 1.00 0.00 H new ATOM 0 HG2 LYS A 42 -5.904 -9.506 6.802 1.00 0.00 H new ATOM 0 HG3 LYS A 42 -4.505 -9.529 7.857 1.00 0.00 H new ATOM 0 HD2 LYS A 42 -5.916 -11.116 8.899 1.00 0.00 H new ATOM 0 HD3 LYS A 42 -6.268 -9.667 9.820 1.00 0.00 H new ATOM 0 HE2 LYS A 42 -8.177 -9.242 8.041 1.00 0.00 H new ATOM 0 HE3 LYS A 42 -7.950 -10.922 7.597 1.00 0.00 H new ATOM 0 HZ1 LYS A 42 -9.559 -10.708 9.422 1.00 0.00 H new ATOM 0 HZ2 LYS A 42 -8.181 -11.547 9.953 1.00 0.00 H new ATOM 0 HZ3 LYS A 42 -8.402 -9.919 10.382 1.00 0.00 H new ATOM 673 N LYS A 43 -2.826 -8.705 9.571 1.00 0.00 N ATOM 674 CA LYS A 43 -2.235 -9.489 10.694 1.00 0.00 C ATOM 675 C LYS A 43 -1.271 -8.614 11.502 1.00 0.00 C ATOM 676 O LYS A 43 -1.044 -8.843 12.673 1.00 0.00 O ATOM 677 CB LYS A 43 -1.485 -10.640 10.023 1.00 0.00 C ATOM 678 CG LYS A 43 -1.099 -11.680 11.076 1.00 0.00 C ATOM 679 CD LYS A 43 -0.244 -12.772 10.430 1.00 0.00 C ATOM 680 CE LYS A 43 -0.949 -14.124 10.571 1.00 0.00 C ATOM 681 NZ LYS A 43 -1.364 -14.487 9.187 1.00 0.00 N ATOM 0 H LYS A 43 -2.351 -8.805 8.674 1.00 0.00 H new ATOM 0 HA LYS A 43 -2.993 -9.849 11.390 1.00 0.00 H new ATOM 0 HB2 LYS A 43 -2.110 -11.098 9.257 1.00 0.00 H new ATOM 0 HB3 LYS A 43 -0.592 -10.264 9.523 1.00 0.00 H new ATOM 0 HG2 LYS A 43 -0.547 -11.204 11.887 1.00 0.00 H new ATOM 0 HG3 LYS A 43 -1.995 -12.118 11.515 1.00 0.00 H new ATOM 0 HD2 LYS A 43 -0.079 -12.544 9.377 1.00 0.00 H new ATOM 0 HD3 LYS A 43 0.736 -12.810 10.905 1.00 0.00 H new ATOM 0 HE2 LYS A 43 -0.282 -14.875 10.993 1.00 0.00 H new ATOM 0 HE3 LYS A 43 -1.810 -14.053 11.236 1.00 0.00 H new ATOM 0 HZ1 LYS A 43 -1.855 -15.404 9.201 1.00 0.00 H new ATOM 0 HZ2 LYS A 43 -2.004 -13.757 8.814 1.00 0.00 H new ATOM 0 HZ3 LYS A 43 -0.523 -14.554 8.579 1.00 0.00 H new ATOM 695 N GLY A 44 -0.706 -7.612 10.886 1.00 0.00 N ATOM 696 CA GLY A 44 0.236 -6.722 11.620 1.00 0.00 C ATOM 697 C GLY A 44 1.581 -6.660 10.892 1.00 0.00 C ATOM 698 O GLY A 44 2.617 -6.480 11.501 1.00 0.00 O ATOM 0 H GLY A 44 -0.856 -7.372 9.906 1.00 0.00 H new ATOM 0 HA2 GLY A 44 -0.188 -5.721 11.702 1.00 0.00 H new ATOM 0 HA3 GLY A 44 0.380 -7.092 12.635 1.00 0.00 H new ATOM 702 N GLN A 45 1.579 -6.802 9.593 1.00 0.00 N ATOM 703 CA GLN A 45 2.866 -6.744 8.842 1.00 0.00 C ATOM 704 C GLN A 45 2.940 -5.450 8.028 1.00 0.00 C ATOM 705 O GLN A 45 2.007 -4.675 7.993 1.00 0.00 O ATOM 706 CB GLN A 45 2.838 -7.962 7.919 1.00 0.00 C ATOM 707 CG GLN A 45 3.721 -9.064 8.510 1.00 0.00 C ATOM 708 CD GLN A 45 4.953 -9.275 7.625 1.00 0.00 C ATOM 709 OE1 GLN A 45 5.193 -8.520 6.704 1.00 0.00 O ATOM 710 NE2 GLN A 45 5.751 -10.278 7.871 1.00 0.00 N ATOM 0 H GLN A 45 0.747 -6.955 9.023 1.00 0.00 H new ATOM 0 HA GLN A 45 3.734 -6.754 9.501 1.00 0.00 H new ATOM 0 HB2 GLN A 45 1.816 -8.322 7.804 1.00 0.00 H new ATOM 0 HB3 GLN A 45 3.194 -7.688 6.926 1.00 0.00 H new ATOM 0 HG2 GLN A 45 4.030 -8.793 9.519 1.00 0.00 H new ATOM 0 HG3 GLN A 45 3.155 -9.992 8.588 1.00 0.00 H new ATOM 0 HE21 GLN A 45 5.550 -10.912 8.644 1.00 0.00 H new ATOM 0 HE22 GLN A 45 6.576 -10.428 7.290 1.00 0.00 H new ATOM 719 N GLN A 46 4.042 -5.206 7.376 1.00 0.00 N ATOM 720 CA GLN A 46 4.167 -3.958 6.574 1.00 0.00 C ATOM 721 C GLN A 46 5.195 -4.149 5.457 1.00 0.00 C ATOM 722 O GLN A 46 6.388 -4.082 5.678 1.00 0.00 O ATOM 723 CB GLN A 46 4.642 -2.900 7.569 1.00 0.00 C ATOM 724 CG GLN A 46 3.529 -1.875 7.797 1.00 0.00 C ATOM 725 CD GLN A 46 4.019 -0.799 8.767 1.00 0.00 C ATOM 726 OE1 GLN A 46 3.348 -0.479 9.727 1.00 0.00 O ATOM 727 NE2 GLN A 46 5.171 -0.223 8.554 1.00 0.00 N ATOM 0 H GLN A 46 4.860 -5.815 7.364 1.00 0.00 H new ATOM 0 HA GLN A 46 3.230 -3.676 6.095 1.00 0.00 H new ATOM 0 HB2 GLN A 46 4.916 -3.371 8.513 1.00 0.00 H new ATOM 0 HB3 GLN A 46 5.535 -2.404 7.189 1.00 0.00 H new ATOM 0 HG2 GLN A 46 3.238 -1.421 6.850 1.00 0.00 H new ATOM 0 HG3 GLN A 46 2.644 -2.367 8.200 1.00 0.00 H new ATOM 0 HE21 GLN A 46 5.734 -0.492 7.747 1.00 0.00 H new ATOM 0 HE22 GLN A 46 5.508 0.496 9.194 1.00 0.00 H new ATOM 736 N SER A 47 4.740 -4.392 4.261 1.00 0.00 N ATOM 737 CA SER A 47 5.687 -4.597 3.127 1.00 0.00 C ATOM 738 C SER A 47 5.679 -3.383 2.189 1.00 0.00 C ATOM 739 O SER A 47 4.857 -2.498 2.308 1.00 0.00 O ATOM 740 CB SER A 47 5.159 -5.833 2.404 1.00 0.00 C ATOM 741 OG SER A 47 6.220 -6.761 2.223 1.00 0.00 O ATOM 0 H SER A 47 3.752 -4.458 4.017 1.00 0.00 H new ATOM 0 HA SER A 47 6.716 -4.721 3.466 1.00 0.00 H new ATOM 0 HB2 SER A 47 4.355 -6.290 2.981 1.00 0.00 H new ATOM 0 HB3 SER A 47 4.738 -5.552 1.439 1.00 0.00 H new ATOM 0 HG SER A 47 5.883 -7.557 1.760 1.00 0.00 H new ATOM 747 N CYS A 48 6.592 -3.344 1.254 1.00 0.00 N ATOM 748 CA CYS A 48 6.648 -2.192 0.301 1.00 0.00 C ATOM 749 C CYS A 48 6.060 -2.624 -1.049 1.00 0.00 C ATOM 750 O CYS A 48 6.592 -3.488 -1.717 1.00 0.00 O ATOM 751 CB CYS A 48 8.141 -1.841 0.163 1.00 0.00 C ATOM 752 SG CYS A 48 8.906 -1.720 1.807 1.00 0.00 S ATOM 0 H CYS A 48 7.303 -4.061 1.108 1.00 0.00 H new ATOM 0 HA CYS A 48 6.075 -1.332 0.648 1.00 0.00 H new ATOM 0 HB2 CYS A 48 8.649 -2.603 -0.428 1.00 0.00 H new ATOM 0 HB3 CYS A 48 8.253 -0.897 -0.370 1.00 0.00 H new ATOM 757 N GLY A 49 4.958 -2.043 -1.449 1.00 0.00 N ATOM 758 CA GLY A 49 4.336 -2.441 -2.742 1.00 0.00 C ATOM 759 C GLY A 49 5.031 -1.737 -3.900 1.00 0.00 C ATOM 760 O GLY A 49 5.439 -0.597 -3.800 1.00 0.00 O ATOM 0 H GLY A 49 4.465 -1.312 -0.936 1.00 0.00 H new ATOM 0 HA2 GLY A 49 4.405 -3.521 -2.870 1.00 0.00 H new ATOM 0 HA3 GLY A 49 3.276 -2.188 -2.737 1.00 0.00 H new ATOM 764 N ASP A 50 5.147 -2.407 -5.006 1.00 0.00 N ATOM 765 CA ASP A 50 5.794 -1.783 -6.191 1.00 0.00 C ATOM 766 C ASP A 50 4.715 -1.059 -7.017 1.00 0.00 C ATOM 767 O ASP A 50 3.719 -1.655 -7.376 1.00 0.00 O ATOM 768 CB ASP A 50 6.405 -2.958 -6.969 1.00 0.00 C ATOM 769 CG ASP A 50 6.807 -2.503 -8.376 1.00 0.00 C ATOM 770 OD1 ASP A 50 7.127 -1.335 -8.529 1.00 0.00 O ATOM 771 OD2 ASP A 50 6.786 -3.327 -9.274 1.00 0.00 O ATOM 0 H ASP A 50 4.821 -3.364 -5.143 1.00 0.00 H new ATOM 0 HA ASP A 50 6.556 -1.046 -5.937 1.00 0.00 H new ATOM 0 HB2 ASP A 50 7.277 -3.342 -6.439 1.00 0.00 H new ATOM 0 HB3 ASP A 50 5.686 -3.775 -7.034 1.00 0.00 H new ATOM 776 N PRO A 51 4.935 0.206 -7.281 1.00 0.00 N ATOM 777 CA PRO A 51 3.945 0.993 -8.058 1.00 0.00 C ATOM 778 C PRO A 51 3.897 0.509 -9.507 1.00 0.00 C ATOM 779 O PRO A 51 2.914 0.693 -10.198 1.00 0.00 O ATOM 780 CB PRO A 51 4.461 2.427 -7.955 1.00 0.00 C ATOM 781 CG PRO A 51 5.924 2.290 -7.684 1.00 0.00 C ATOM 782 CD PRO A 51 6.102 1.014 -6.902 1.00 0.00 C ATOM 0 HA PRO A 51 2.926 0.897 -7.684 1.00 0.00 H new ATOM 0 HB2 PRO A 51 4.280 2.979 -8.877 1.00 0.00 H new ATOM 0 HB3 PRO A 51 3.960 2.971 -7.154 1.00 0.00 H new ATOM 0 HG2 PRO A 51 6.489 2.255 -8.616 1.00 0.00 H new ATOM 0 HG3 PRO A 51 6.295 3.145 -7.119 1.00 0.00 H new ATOM 0 HD2 PRO A 51 7.036 0.514 -7.159 1.00 0.00 H new ATOM 0 HD3 PRO A 51 6.127 1.203 -5.829 1.00 0.00 H new ATOM 790 N LYS A 52 4.939 -0.126 -9.970 1.00 0.00 N ATOM 791 CA LYS A 52 4.929 -0.636 -11.369 1.00 0.00 C ATOM 792 C LYS A 52 3.947 -1.806 -11.477 1.00 0.00 C ATOM 793 O LYS A 52 3.432 -2.103 -12.536 1.00 0.00 O ATOM 794 CB LYS A 52 6.359 -1.106 -11.633 1.00 0.00 C ATOM 795 CG LYS A 52 7.125 -0.012 -12.379 1.00 0.00 C ATOM 796 CD LYS A 52 7.619 1.039 -11.383 1.00 0.00 C ATOM 797 CE LYS A 52 9.038 0.690 -10.930 1.00 0.00 C ATOM 798 NZ LYS A 52 9.384 1.724 -9.913 1.00 0.00 N ATOM 0 H LYS A 52 5.792 -0.313 -9.443 1.00 0.00 H new ATOM 0 HA LYS A 52 4.617 0.119 -12.090 1.00 0.00 H new ATOM 0 HB2 LYS A 52 6.857 -1.336 -10.691 1.00 0.00 H new ATOM 0 HB3 LYS A 52 6.349 -2.024 -12.221 1.00 0.00 H new ATOM 0 HG2 LYS A 52 7.970 -0.446 -12.914 1.00 0.00 H new ATOM 0 HG3 LYS A 52 6.480 0.454 -13.125 1.00 0.00 H new ATOM 0 HD2 LYS A 52 7.606 2.026 -11.845 1.00 0.00 H new ATOM 0 HD3 LYS A 52 6.952 1.081 -10.522 1.00 0.00 H new ATOM 0 HE2 LYS A 52 9.081 -0.312 -10.504 1.00 0.00 H new ATOM 0 HE3 LYS A 52 9.736 0.711 -11.767 1.00 0.00 H new ATOM 0 HZ1 LYS A 52 10.345 1.551 -9.555 1.00 0.00 H new ATOM 0 HZ2 LYS A 52 9.342 2.667 -10.349 1.00 0.00 H new ATOM 0 HZ3 LYS A 52 8.707 1.676 -9.125 1.00 0.00 H new ATOM 812 N GLN A 53 3.680 -2.464 -10.381 1.00 0.00 N ATOM 813 CA GLN A 53 2.727 -3.608 -10.409 1.00 0.00 C ATOM 814 C GLN A 53 1.291 -3.085 -10.521 1.00 0.00 C ATOM 815 O GLN A 53 1.023 -1.926 -10.271 1.00 0.00 O ATOM 816 CB GLN A 53 2.938 -4.332 -9.080 1.00 0.00 C ATOM 817 CG GLN A 53 3.811 -5.568 -9.304 1.00 0.00 C ATOM 818 CD GLN A 53 3.046 -6.593 -10.142 1.00 0.00 C ATOM 819 OE1 GLN A 53 1.830 -6.589 -10.166 1.00 0.00 O ATOM 820 NE2 GLN A 53 3.708 -7.478 -10.834 1.00 0.00 N ATOM 0 H GLN A 53 4.082 -2.257 -9.467 1.00 0.00 H new ATOM 0 HA GLN A 53 2.893 -4.270 -11.259 1.00 0.00 H new ATOM 0 HB2 GLN A 53 3.413 -3.664 -8.361 1.00 0.00 H new ATOM 0 HB3 GLN A 53 1.977 -4.624 -8.657 1.00 0.00 H new ATOM 0 HG2 GLN A 53 4.734 -5.286 -9.810 1.00 0.00 H new ATOM 0 HG3 GLN A 53 4.093 -6.005 -8.346 1.00 0.00 H new ATOM 0 HE21 GLN A 53 4.728 -7.482 -10.814 1.00 0.00 H new ATOM 0 HE22 GLN A 53 3.206 -8.166 -11.395 1.00 0.00 H new ATOM 829 N GLU A 54 0.371 -3.922 -10.909 1.00 0.00 N ATOM 830 CA GLU A 54 -1.041 -3.461 -11.055 1.00 0.00 C ATOM 831 C GLU A 54 -1.840 -3.665 -9.764 1.00 0.00 C ATOM 832 O GLU A 54 -2.945 -3.176 -9.642 1.00 0.00 O ATOM 833 CB GLU A 54 -1.619 -4.319 -12.179 1.00 0.00 C ATOM 834 CG GLU A 54 -1.327 -3.654 -13.525 1.00 0.00 C ATOM 835 CD GLU A 54 -2.609 -3.019 -14.065 1.00 0.00 C ATOM 836 OE1 GLU A 54 -3.650 -3.640 -13.945 1.00 0.00 O ATOM 837 OE2 GLU A 54 -2.527 -1.920 -14.588 1.00 0.00 O ATOM 0 H GLU A 54 0.533 -4.904 -11.132 1.00 0.00 H new ATOM 0 HA GLU A 54 -1.090 -2.394 -11.273 1.00 0.00 H new ATOM 0 HB2 GLU A 54 -1.182 -5.317 -12.151 1.00 0.00 H new ATOM 0 HB3 GLU A 54 -2.694 -4.438 -12.045 1.00 0.00 H new ATOM 0 HG2 GLU A 54 -0.553 -2.895 -13.408 1.00 0.00 H new ATOM 0 HG3 GLU A 54 -0.947 -4.391 -14.233 1.00 0.00 H new ATOM 844 N TRP A 55 -1.314 -4.376 -8.797 1.00 0.00 N ATOM 845 CA TRP A 55 -2.096 -4.574 -7.547 1.00 0.00 C ATOM 846 C TRP A 55 -1.904 -3.382 -6.612 1.00 0.00 C ATOM 847 O TRP A 55 -2.842 -2.947 -5.976 1.00 0.00 O ATOM 848 CB TRP A 55 -1.611 -5.889 -6.943 1.00 0.00 C ATOM 849 CG TRP A 55 -0.200 -5.799 -6.471 1.00 0.00 C ATOM 850 CD1 TRP A 55 0.883 -6.185 -7.184 1.00 0.00 C ATOM 851 CD2 TRP A 55 0.300 -5.348 -5.180 1.00 0.00 C ATOM 852 NE1 TRP A 55 2.014 -5.999 -6.409 1.00 0.00 N ATOM 853 CE2 TRP A 55 1.705 -5.484 -5.173 1.00 0.00 C ATOM 854 CE3 TRP A 55 -0.321 -4.834 -4.026 1.00 0.00 C ATOM 855 CZ2 TRP A 55 2.468 -5.135 -4.070 1.00 0.00 C ATOM 856 CZ3 TRP A 55 0.448 -4.476 -2.907 1.00 0.00 C ATOM 857 CH2 TRP A 55 1.842 -4.628 -2.928 1.00 0.00 C ATOM 0 H TRP A 55 -0.395 -4.818 -8.820 1.00 0.00 H new ATOM 0 HA TRP A 55 -3.169 -4.632 -7.733 1.00 0.00 H new ATOM 0 HB2 TRP A 55 -2.256 -6.164 -6.108 1.00 0.00 H new ATOM 0 HB3 TRP A 55 -1.695 -6.682 -7.686 1.00 0.00 H new ATOM 0 HD1 TRP A 55 0.867 -6.574 -8.191 1.00 0.00 H new ATOM 0 HE1 TRP A 55 2.961 -6.217 -6.717 1.00 0.00 H new ATOM 0 HE3 TRP A 55 -1.394 -4.714 -4.001 1.00 0.00 H new ATOM 0 HZ2 TRP A 55 3.541 -5.254 -4.093 1.00 0.00 H new ATOM 0 HZ3 TRP A 55 -0.036 -4.082 -2.026 1.00 0.00 H new ATOM 0 HH2 TRP A 55 2.430 -4.354 -2.064 1.00 0.00 H new ATOM 868 N VAL A 56 -0.729 -2.799 -6.556 1.00 0.00 N ATOM 869 CA VAL A 56 -0.583 -1.594 -5.691 1.00 0.00 C ATOM 870 C VAL A 56 -1.491 -0.520 -6.289 1.00 0.00 C ATOM 871 O VAL A 56 -2.166 0.212 -5.594 1.00 0.00 O ATOM 872 CB VAL A 56 0.882 -1.149 -5.761 1.00 0.00 C ATOM 873 CG1 VAL A 56 1.051 0.098 -4.893 1.00 0.00 C ATOM 874 CG2 VAL A 56 1.799 -2.248 -5.222 1.00 0.00 C ATOM 0 H VAL A 56 0.109 -3.096 -7.056 1.00 0.00 H new ATOM 0 HA VAL A 56 -0.852 -1.783 -4.652 1.00 0.00 H new ATOM 0 HB VAL A 56 1.146 -0.942 -6.798 1.00 0.00 H new ATOM 0 HG11 VAL A 56 2.089 0.430 -4.931 1.00 0.00 H new ATOM 0 HG12 VAL A 56 0.403 0.891 -5.266 1.00 0.00 H new ATOM 0 HG13 VAL A 56 0.782 -0.136 -3.863 1.00 0.00 H new ATOM 0 HG21 VAL A 56 2.836 -1.917 -5.278 1.00 0.00 H new ATOM 0 HG22 VAL A 56 1.542 -2.460 -4.184 1.00 0.00 H new ATOM 0 HG23 VAL A 56 1.674 -3.152 -5.819 1.00 0.00 H new ATOM 884 N GLN A 57 -1.531 -0.467 -7.596 1.00 0.00 N ATOM 885 CA GLN A 57 -2.409 0.508 -8.296 1.00 0.00 C ATOM 886 C GLN A 57 -3.860 0.060 -8.145 1.00 0.00 C ATOM 887 O GLN A 57 -4.710 0.803 -7.697 1.00 0.00 O ATOM 888 CB GLN A 57 -1.976 0.435 -9.762 1.00 0.00 C ATOM 889 CG GLN A 57 -1.622 1.835 -10.260 1.00 0.00 C ATOM 890 CD GLN A 57 -1.261 1.767 -11.744 1.00 0.00 C ATOM 891 OE1 GLN A 57 -0.669 0.807 -12.192 1.00 0.00 O ATOM 892 NE2 GLN A 57 -1.595 2.754 -12.530 1.00 0.00 N ATOM 0 H GLN A 57 -0.984 -1.068 -8.213 1.00 0.00 H new ATOM 0 HA GLN A 57 -2.330 1.521 -7.901 1.00 0.00 H new ATOM 0 HB2 GLN A 57 -1.117 -0.227 -9.866 1.00 0.00 H new ATOM 0 HB3 GLN A 57 -2.778 0.014 -10.368 1.00 0.00 H new ATOM 0 HG2 GLN A 57 -2.464 2.511 -10.109 1.00 0.00 H new ATOM 0 HG3 GLN A 57 -0.785 2.236 -9.688 1.00 0.00 H new ATOM 0 HE21 GLN A 57 -2.093 3.561 -12.153 1.00 0.00 H new ATOM 0 HE22 GLN A 57 -1.358 2.719 -13.522 1.00 0.00 H new ATOM 901 N ARG A 58 -4.144 -1.167 -8.495 1.00 0.00 N ATOM 902 CA ARG A 58 -5.533 -1.682 -8.348 1.00 0.00 C ATOM 903 C ARG A 58 -5.976 -1.481 -6.902 1.00 0.00 C ATOM 904 O ARG A 58 -7.109 -1.144 -6.622 1.00 0.00 O ATOM 905 CB ARG A 58 -5.436 -3.169 -8.684 1.00 0.00 C ATOM 906 CG ARG A 58 -6.793 -3.837 -8.478 1.00 0.00 C ATOM 907 CD ARG A 58 -6.594 -5.226 -7.869 1.00 0.00 C ATOM 908 NE ARG A 58 -7.513 -6.113 -8.632 1.00 0.00 N ATOM 909 CZ ARG A 58 -7.029 -7.058 -9.390 1.00 0.00 C ATOM 910 NH1 ARG A 58 -6.573 -8.155 -8.853 1.00 0.00 N ATOM 911 NH2 ARG A 58 -6.997 -6.905 -10.687 1.00 0.00 N ATOM 0 H ARG A 58 -3.472 -1.833 -8.876 1.00 0.00 H new ATOM 0 HA ARG A 58 -6.254 -1.176 -8.990 1.00 0.00 H new ATOM 0 HB2 ARG A 58 -5.111 -3.297 -9.716 1.00 0.00 H new ATOM 0 HB3 ARG A 58 -4.686 -3.646 -8.052 1.00 0.00 H new ATOM 0 HG2 ARG A 58 -7.414 -3.227 -7.822 1.00 0.00 H new ATOM 0 HG3 ARG A 58 -7.318 -3.918 -9.430 1.00 0.00 H new ATOM 0 HD2 ARG A 58 -5.559 -5.554 -7.963 1.00 0.00 H new ATOM 0 HD3 ARG A 58 -6.834 -5.229 -6.806 1.00 0.00 H new ATOM 0 HE ARG A 58 -8.522 -5.982 -8.562 1.00 0.00 H new ATOM 0 HH11 ARG A 58 -6.595 -8.274 -7.840 1.00 0.00 H new ATOM 0 HH12 ARG A 58 -6.195 -8.894 -9.446 1.00 0.00 H new ATOM 0 HH21 ARG A 58 -7.351 -6.046 -11.108 1.00 0.00 H new ATOM 0 HH22 ARG A 58 -6.618 -7.645 -11.279 1.00 0.00 H new ATOM 925 N TYR A 59 -5.068 -1.661 -5.981 1.00 0.00 N ATOM 926 CA TYR A 59 -5.408 -1.458 -4.549 1.00 0.00 C ATOM 927 C TYR A 59 -5.659 0.028 -4.307 1.00 0.00 C ATOM 928 O TYR A 59 -6.688 0.425 -3.797 1.00 0.00 O ATOM 929 CB TYR A 59 -4.169 -1.909 -3.770 1.00 0.00 C ATOM 930 CG TYR A 59 -4.086 -3.422 -3.664 1.00 0.00 C ATOM 931 CD1 TYR A 59 -4.767 -4.254 -4.570 1.00 0.00 C ATOM 932 CD2 TYR A 59 -3.311 -3.994 -2.644 1.00 0.00 C ATOM 933 CE1 TYR A 59 -4.669 -5.646 -4.448 1.00 0.00 C ATOM 934 CE2 TYR A 59 -3.215 -5.385 -2.527 1.00 0.00 C ATOM 935 CZ TYR A 59 -3.895 -6.209 -3.428 1.00 0.00 C ATOM 936 OH TYR A 59 -3.808 -7.579 -3.312 1.00 0.00 O ATOM 0 H TYR A 59 -4.104 -1.941 -6.162 1.00 0.00 H new ATOM 0 HA TYR A 59 -6.298 -2.011 -4.247 1.00 0.00 H new ATOM 0 HB2 TYR A 59 -3.273 -1.530 -4.262 1.00 0.00 H new ATOM 0 HB3 TYR A 59 -4.191 -1.476 -2.770 1.00 0.00 H new ATOM 0 HD1 TYR A 59 -5.364 -3.821 -5.358 1.00 0.00 H new ATOM 0 HD2 TYR A 59 -2.786 -3.358 -1.946 1.00 0.00 H new ATOM 0 HE1 TYR A 59 -5.192 -6.286 -5.143 1.00 0.00 H new ATOM 0 HE2 TYR A 59 -2.616 -5.821 -1.741 1.00 0.00 H new ATOM 0 HH TYR A 59 -2.889 -7.830 -3.084 1.00 0.00 H new ATOM 946 N MET A 60 -4.717 0.855 -4.680 1.00 0.00 N ATOM 947 CA MET A 60 -4.881 2.325 -4.489 1.00 0.00 C ATOM 948 C MET A 60 -6.237 2.773 -5.037 1.00 0.00 C ATOM 949 O MET A 60 -6.856 3.689 -4.529 1.00 0.00 O ATOM 950 CB MET A 60 -3.751 2.962 -5.287 1.00 0.00 C ATOM 951 CG MET A 60 -2.912 3.847 -4.362 1.00 0.00 C ATOM 952 SD MET A 60 -1.270 4.054 -5.070 1.00 0.00 S ATOM 953 CE MET A 60 -0.773 2.342 -4.828 1.00 0.00 C ATOM 0 H MET A 60 -3.837 0.573 -5.111 1.00 0.00 H new ATOM 0 HA MET A 60 -4.845 2.611 -3.438 1.00 0.00 H new ATOM 0 HB2 MET A 60 -3.126 2.189 -5.734 1.00 0.00 H new ATOM 0 HB3 MET A 60 -4.158 3.556 -6.105 1.00 0.00 H new ATOM 0 HG2 MET A 60 -3.391 4.818 -4.235 1.00 0.00 H new ATOM 0 HG3 MET A 60 -2.840 3.395 -3.373 1.00 0.00 H new ATOM 0 HE1 MET A 60 0.073 2.302 -4.142 1.00 0.00 H new ATOM 0 HE2 MET A 60 -1.606 1.777 -4.410 1.00 0.00 H new ATOM 0 HE3 MET A 60 -0.484 1.908 -5.785 1.00 0.00 H new ATOM 963 N LYS A 61 -6.703 2.126 -6.071 1.00 0.00 N ATOM 964 CA LYS A 61 -8.021 2.497 -6.658 1.00 0.00 C ATOM 965 C LYS A 61 -9.118 2.362 -5.603 1.00 0.00 C ATOM 966 O LYS A 61 -9.906 3.263 -5.392 1.00 0.00 O ATOM 967 CB LYS A 61 -8.243 1.496 -7.793 1.00 0.00 C ATOM 968 CG LYS A 61 -8.727 2.236 -9.040 1.00 0.00 C ATOM 969 CD LYS A 61 -10.169 1.830 -9.348 1.00 0.00 C ATOM 970 CE LYS A 61 -11.131 2.805 -8.668 1.00 0.00 C ATOM 971 NZ LYS A 61 -11.452 3.816 -9.712 1.00 0.00 N ATOM 0 H LYS A 61 -6.225 1.354 -6.535 1.00 0.00 H new ATOM 0 HA LYS A 61 -8.043 3.527 -7.014 1.00 0.00 H new ATOM 0 HB2 LYS A 61 -7.316 0.965 -8.010 1.00 0.00 H new ATOM 0 HB3 LYS A 61 -8.977 0.748 -7.494 1.00 0.00 H new ATOM 0 HG2 LYS A 61 -8.667 3.313 -8.883 1.00 0.00 H new ATOM 0 HG3 LYS A 61 -8.083 2.001 -9.888 1.00 0.00 H new ATOM 0 HD2 LYS A 61 -10.336 1.830 -10.425 1.00 0.00 H new ATOM 0 HD3 LYS A 61 -10.355 0.815 -8.997 1.00 0.00 H new ATOM 0 HE2 LYS A 61 -12.030 2.296 -8.321 1.00 0.00 H new ATOM 0 HE3 LYS A 61 -10.672 3.270 -7.796 1.00 0.00 H new ATOM 0 HZ1 LYS A 61 -12.109 4.522 -9.322 1.00 0.00 H new ATOM 0 HZ2 LYS A 61 -10.578 4.289 -10.018 1.00 0.00 H new ATOM 0 HZ3 LYS A 61 -11.894 3.345 -10.527 1.00 0.00 H new ATOM 985 N ASN A 62 -9.172 1.245 -4.930 1.00 0.00 N ATOM 986 CA ASN A 62 -10.214 1.058 -3.883 1.00 0.00 C ATOM 987 C ASN A 62 -9.909 1.960 -2.686 1.00 0.00 C ATOM 988 O ASN A 62 -10.787 2.587 -2.127 1.00 0.00 O ATOM 989 CB ASN A 62 -10.118 -0.415 -3.486 1.00 0.00 C ATOM 990 CG ASN A 62 -11.093 -0.699 -2.344 1.00 0.00 C ATOM 991 OD1 ASN A 62 -11.819 0.176 -1.917 1.00 0.00 O ATOM 992 ND2 ASN A 62 -11.140 -1.895 -1.826 1.00 0.00 N ATOM 0 H ASN A 62 -8.540 0.455 -5.060 1.00 0.00 H new ATOM 0 HA ASN A 62 -11.213 1.316 -4.235 1.00 0.00 H new ATOM 0 HB2 ASN A 62 -10.349 -1.049 -4.342 1.00 0.00 H new ATOM 0 HB3 ASN A 62 -9.100 -0.654 -3.178 1.00 0.00 H new ATOM 0 HD21 ASN A 62 -11.786 -2.095 -1.063 1.00 0.00 H new ATOM 0 HD22 ASN A 62 -10.531 -2.630 -2.184 1.00 0.00 H new ATOM 999 N LEU A 63 -8.667 2.033 -2.296 1.00 0.00 N ATOM 1000 CA LEU A 63 -8.290 2.895 -1.141 1.00 0.00 C ATOM 1001 C LEU A 63 -8.836 4.311 -1.336 1.00 0.00 C ATOM 1002 O LEU A 63 -9.230 4.973 -0.395 1.00 0.00 O ATOM 1003 CB LEU A 63 -6.762 2.905 -1.145 1.00 0.00 C ATOM 1004 CG LEU A 63 -6.247 1.875 -0.143 1.00 0.00 C ATOM 1005 CD1 LEU A 63 -4.904 1.324 -0.621 1.00 0.00 C ATOM 1006 CD2 LEU A 63 -6.069 2.543 1.222 1.00 0.00 C ATOM 0 H LEU A 63 -7.893 1.530 -2.730 1.00 0.00 H new ATOM 0 HA LEU A 63 -8.696 2.527 -0.199 1.00 0.00 H new ATOM 0 HB2 LEU A 63 -6.388 2.677 -2.143 1.00 0.00 H new ATOM 0 HB3 LEU A 63 -6.393 3.897 -0.886 1.00 0.00 H new ATOM 0 HG LEU A 63 -6.963 1.058 -0.059 1.00 0.00 H new ATOM 0 HD11 LEU A 63 -4.537 0.589 0.095 1.00 0.00 H new ATOM 0 HD12 LEU A 63 -5.031 0.851 -1.595 1.00 0.00 H new ATOM 0 HD13 LEU A 63 -4.185 2.139 -0.705 1.00 0.00 H new ATOM 0 HD21 LEU A 63 -5.701 1.810 1.940 1.00 0.00 H new ATOM 0 HD22 LEU A 63 -5.352 3.359 1.137 1.00 0.00 H new ATOM 0 HD23 LEU A 63 -7.027 2.936 1.563 1.00 0.00 H new ATOM 1018 N ASP A 64 -8.862 4.779 -2.551 1.00 0.00 N ATOM 1019 CA ASP A 64 -9.383 6.151 -2.810 1.00 0.00 C ATOM 1020 C ASP A 64 -10.888 6.203 -2.533 1.00 0.00 C ATOM 1021 O ASP A 64 -11.401 7.176 -2.017 1.00 0.00 O ATOM 1022 CB ASP A 64 -9.099 6.412 -4.290 1.00 0.00 C ATOM 1023 CG ASP A 64 -9.098 7.918 -4.552 1.00 0.00 C ATOM 1024 OD1 ASP A 64 -9.782 8.625 -3.831 1.00 0.00 O ATOM 1025 OD2 ASP A 64 -8.412 8.339 -5.469 1.00 0.00 O ATOM 0 H ASP A 64 -8.545 4.272 -3.377 1.00 0.00 H new ATOM 0 HA ASP A 64 -8.915 6.899 -2.170 1.00 0.00 H new ATOM 0 HB2 ASP A 64 -8.136 5.983 -4.567 1.00 0.00 H new ATOM 0 HB3 ASP A 64 -9.854 5.925 -4.907 1.00 0.00 H new ATOM 1030 N ALA A 65 -11.597 5.159 -2.869 1.00 0.00 N ATOM 1031 CA ALA A 65 -13.068 5.148 -2.623 1.00 0.00 C ATOM 1032 C ALA A 65 -13.357 5.357 -1.134 1.00 0.00 C ATOM 1033 O ALA A 65 -14.414 5.825 -0.757 1.00 0.00 O ATOM 1034 CB ALA A 65 -13.535 3.762 -3.068 1.00 0.00 C ATOM 0 H ALA A 65 -11.222 4.315 -3.302 1.00 0.00 H new ATOM 0 HA ALA A 65 -13.582 5.944 -3.162 1.00 0.00 H new ATOM 0 HB1 ALA A 65 -14.611 3.675 -2.918 1.00 0.00 H new ATOM 0 HB2 ALA A 65 -13.303 3.622 -4.124 1.00 0.00 H new ATOM 0 HB3 ALA A 65 -13.024 3.000 -2.480 1.00 0.00 H new ATOM 1040 N LYS A 66 -12.428 5.012 -0.286 1.00 0.00 N ATOM 1041 CA LYS A 66 -12.651 5.190 1.177 1.00 0.00 C ATOM 1042 C LYS A 66 -13.066 6.633 1.478 1.00 0.00 C ATOM 1043 O LYS A 66 -13.721 6.909 2.463 1.00 0.00 O ATOM 1044 CB LYS A 66 -11.303 4.873 1.825 1.00 0.00 C ATOM 1045 CG LYS A 66 -11.479 4.769 3.342 1.00 0.00 C ATOM 1046 CD LYS A 66 -11.965 3.366 3.706 1.00 0.00 C ATOM 1047 CE LYS A 66 -11.597 3.060 5.158 1.00 0.00 C ATOM 1048 NZ LYS A 66 -11.720 1.581 5.285 1.00 0.00 N ATOM 0 H LYS A 66 -11.524 4.615 -0.542 1.00 0.00 H new ATOM 0 HA LYS A 66 -13.446 4.547 1.554 1.00 0.00 H new ATOM 0 HB2 LYS A 66 -10.908 3.938 1.429 1.00 0.00 H new ATOM 0 HB3 LYS A 66 -10.579 5.652 1.584 1.00 0.00 H new ATOM 0 HG2 LYS A 66 -10.534 4.979 3.843 1.00 0.00 H new ATOM 0 HG3 LYS A 66 -12.196 5.514 3.687 1.00 0.00 H new ATOM 0 HD2 LYS A 66 -13.044 3.297 3.571 1.00 0.00 H new ATOM 0 HD3 LYS A 66 -11.513 2.629 3.042 1.00 0.00 H new ATOM 0 HE2 LYS A 66 -10.585 3.393 5.387 1.00 0.00 H new ATOM 0 HE3 LYS A 66 -12.265 3.572 5.851 1.00 0.00 H new ATOM 0 HZ1 LYS A 66 -11.483 1.295 6.256 1.00 0.00 H new ATOM 0 HZ2 LYS A 66 -12.696 1.294 5.068 1.00 0.00 H new ATOM 0 HZ3 LYS A 66 -11.068 1.120 4.619 1.00 0.00 H new ATOM 1062 N GLN A 67 -12.692 7.554 0.633 1.00 0.00 N ATOM 1063 CA GLN A 67 -13.063 8.979 0.866 1.00 0.00 C ATOM 1064 C GLN A 67 -14.323 9.332 0.070 1.00 0.00 C ATOM 1065 O GLN A 67 -14.304 10.186 -0.793 1.00 0.00 O ATOM 1066 CB GLN A 67 -11.867 9.786 0.361 1.00 0.00 C ATOM 1067 CG GLN A 67 -11.512 10.871 1.381 1.00 0.00 C ATOM 1068 CD GLN A 67 -10.043 10.732 1.783 1.00 0.00 C ATOM 1069 OE1 GLN A 67 -9.190 11.425 1.264 1.00 0.00 O ATOM 1070 NE2 GLN A 67 -9.708 9.859 2.692 1.00 0.00 N ATOM 0 H GLN A 67 -12.145 7.381 -0.210 1.00 0.00 H new ATOM 0 HA GLN A 67 -13.280 9.185 1.914 1.00 0.00 H new ATOM 0 HB2 GLN A 67 -11.012 9.128 0.202 1.00 0.00 H new ATOM 0 HB3 GLN A 67 -12.102 10.240 -0.601 1.00 0.00 H new ATOM 0 HG2 GLN A 67 -11.692 11.858 0.955 1.00 0.00 H new ATOM 0 HG3 GLN A 67 -12.151 10.782 2.260 1.00 0.00 H new ATOM 0 HE21 GLN A 67 -10.423 9.277 3.128 1.00 0.00 H new ATOM 0 HE22 GLN A 67 -8.731 9.758 2.967 1.00 0.00 H new ATOM 1079 N LYS A 68 -15.417 8.679 0.354 1.00 0.00 N ATOM 1080 CA LYS A 68 -16.676 8.977 -0.390 1.00 0.00 C ATOM 1081 C LYS A 68 -17.849 9.116 0.583 1.00 0.00 C ATOM 1082 O LYS A 68 -17.916 8.442 1.591 1.00 0.00 O ATOM 1083 CB LYS A 68 -16.887 7.772 -1.310 1.00 0.00 C ATOM 1084 CG LYS A 68 -16.441 8.130 -2.728 1.00 0.00 C ATOM 1085 CD LYS A 68 -17.368 7.454 -3.741 1.00 0.00 C ATOM 1086 CE LYS A 68 -16.605 6.348 -4.472 1.00 0.00 C ATOM 1087 NZ LYS A 68 -17.659 5.488 -5.077 1.00 0.00 N ATOM 0 H LYS A 68 -15.494 7.954 1.067 1.00 0.00 H new ATOM 0 HA LYS A 68 -16.613 9.912 -0.946 1.00 0.00 H new ATOM 0 HB2 LYS A 68 -16.319 6.917 -0.943 1.00 0.00 H new ATOM 0 HB3 LYS A 68 -17.937 7.480 -1.310 1.00 0.00 H new ATOM 0 HG2 LYS A 68 -16.462 9.211 -2.865 1.00 0.00 H new ATOM 0 HG3 LYS A 68 -15.412 7.808 -2.889 1.00 0.00 H new ATOM 0 HD2 LYS A 68 -18.237 7.036 -3.232 1.00 0.00 H new ATOM 0 HD3 LYS A 68 -17.740 8.188 -4.456 1.00 0.00 H new ATOM 0 HE2 LYS A 68 -15.946 6.761 -5.236 1.00 0.00 H new ATOM 0 HE3 LYS A 68 -15.979 5.780 -3.784 1.00 0.00 H new ATOM 0 HZ1 LYS A 68 -17.213 4.705 -5.596 1.00 0.00 H new ATOM 0 HZ2 LYS A 68 -18.267 5.103 -4.326 1.00 0.00 H new ATOM 0 HZ3 LYS A 68 -18.235 6.054 -5.732 1.00 0.00 H new ATOM 1101 N LYS A 69 -18.775 9.987 0.287 1.00 0.00 N ATOM 1102 CA LYS A 69 -19.942 10.169 1.193 1.00 0.00 C ATOM 1103 C LYS A 69 -21.245 9.902 0.435 1.00 0.00 C ATOM 1104 O LYS A 69 -21.956 10.814 0.063 1.00 0.00 O ATOM 1105 CB LYS A 69 -19.868 11.628 1.639 1.00 0.00 C ATOM 1106 CG LYS A 69 -20.796 11.843 2.835 1.00 0.00 C ATOM 1107 CD LYS A 69 -20.086 11.406 4.119 1.00 0.00 C ATOM 1108 CE LYS A 69 -20.481 12.339 5.267 1.00 0.00 C ATOM 1109 NZ LYS A 69 -19.647 13.559 5.078 1.00 0.00 N ATOM 0 H LYS A 69 -18.773 10.580 -0.543 1.00 0.00 H new ATOM 0 HA LYS A 69 -19.922 9.482 2.039 1.00 0.00 H new ATOM 0 HB2 LYS A 69 -18.844 11.885 1.909 1.00 0.00 H new ATOM 0 HB3 LYS A 69 -20.156 12.285 0.819 1.00 0.00 H new ATOM 0 HG2 LYS A 69 -21.080 12.893 2.904 1.00 0.00 H new ATOM 0 HG3 LYS A 69 -21.715 11.272 2.703 1.00 0.00 H new ATOM 0 HD2 LYS A 69 -20.355 10.378 4.363 1.00 0.00 H new ATOM 0 HD3 LYS A 69 -19.006 11.427 3.975 1.00 0.00 H new ATOM 0 HE2 LYS A 69 -21.544 12.578 5.233 1.00 0.00 H new ATOM 0 HE3 LYS A 69 -20.289 11.876 6.235 1.00 0.00 H new ATOM 0 HZ1 LYS A 69 -18.944 13.621 5.842 1.00 0.00 H new ATOM 0 HZ2 LYS A 69 -19.158 13.507 4.161 1.00 0.00 H new ATOM 0 HZ3 LYS A 69 -20.256 14.402 5.098 1.00 0.00 H new ATOM 1123 N ALA A 70 -21.563 8.657 0.201 1.00 0.00 N ATOM 1124 CA ALA A 70 -22.820 8.332 -0.534 1.00 0.00 C ATOM 1125 C ALA A 70 -22.857 9.075 -1.873 1.00 0.00 C ATOM 1126 O ALA A 70 -23.818 9.744 -2.195 1.00 0.00 O ATOM 1127 CB ALA A 70 -23.950 8.811 0.377 1.00 0.00 C ATOM 0 H ALA A 70 -21.007 7.851 0.487 1.00 0.00 H new ATOM 0 HA ALA A 70 -22.903 7.269 -0.758 1.00 0.00 H new ATOM 0 HB1 ALA A 70 -24.910 8.606 -0.096 1.00 0.00 H new ATOM 0 HB2 ALA A 70 -23.896 8.286 1.331 1.00 0.00 H new ATOM 0 HB3 ALA A 70 -23.851 9.883 0.547 1.00 0.00 H new ATOM 1133 N SER A 71 -21.818 8.960 -2.655 1.00 0.00 N ATOM 1134 CA SER A 71 -21.796 9.659 -3.972 1.00 0.00 C ATOM 1135 C SER A 71 -22.728 8.959 -4.969 1.00 0.00 C ATOM 1136 O SER A 71 -23.600 9.584 -5.540 1.00 0.00 O ATOM 1137 CB SER A 71 -20.344 9.578 -4.443 1.00 0.00 C ATOM 1138 OG SER A 71 -19.788 10.887 -4.483 1.00 0.00 O ATOM 0 H SER A 71 -20.984 8.413 -2.439 1.00 0.00 H new ATOM 0 HA SER A 71 -22.141 10.690 -3.893 1.00 0.00 H new ATOM 0 HB2 SER A 71 -19.766 8.946 -3.769 1.00 0.00 H new ATOM 0 HB3 SER A 71 -20.295 9.120 -5.431 1.00 0.00 H new ATOM 0 HG SER A 71 -18.856 10.838 -4.783 1.00 0.00 H new ATOM 1144 N PRO A 72 -22.512 7.680 -5.154 1.00 0.00 N ATOM 1145 CA PRO A 72 -23.347 6.901 -6.100 1.00 0.00 C ATOM 1146 C PRO A 72 -24.725 6.624 -5.493 1.00 0.00 C ATOM 1147 O PRO A 72 -25.729 6.628 -6.179 1.00 0.00 O ATOM 1148 CB PRO A 72 -22.565 5.609 -6.293 1.00 0.00 C ATOM 1149 CG PRO A 72 -21.739 5.465 -5.059 1.00 0.00 C ATOM 1150 CD PRO A 72 -21.487 6.848 -4.515 1.00 0.00 C ATOM 0 HA PRO A 72 -23.530 7.423 -7.039 1.00 0.00 H new ATOM 0 HB2 PRO A 72 -23.235 4.758 -6.420 1.00 0.00 H new ATOM 0 HB3 PRO A 72 -21.938 5.657 -7.183 1.00 0.00 H new ATOM 0 HG2 PRO A 72 -22.257 4.852 -4.321 1.00 0.00 H new ATOM 0 HG3 PRO A 72 -20.797 4.965 -5.285 1.00 0.00 H new ATOM 0 HD2 PRO A 72 -21.576 6.871 -3.429 1.00 0.00 H new ATOM 0 HD3 PRO A 72 -20.483 7.195 -4.760 1.00 0.00 H new ATOM 1158 N ARG A 73 -24.782 6.383 -4.212 1.00 0.00 N ATOM 1159 CA ARG A 73 -26.095 6.107 -3.563 1.00 0.00 C ATOM 1160 C ARG A 73 -26.079 6.588 -2.109 1.00 0.00 C ATOM 1161 O ARG A 73 -25.393 7.559 -1.837 1.00 0.00 O ATOM 1162 CB ARG A 73 -26.254 4.587 -3.622 1.00 0.00 C ATOM 1163 CG ARG A 73 -27.625 4.240 -4.205 1.00 0.00 C ATOM 1164 CD ARG A 73 -28.248 3.094 -3.403 1.00 0.00 C ATOM 1165 NE ARG A 73 -28.353 3.609 -2.011 1.00 0.00 N ATOM 1166 CZ ARG A 73 -29.015 2.933 -1.112 1.00 0.00 C ATOM 1167 NH1 ARG A 73 -28.628 1.730 -0.784 1.00 0.00 N ATOM 1168 NH2 ARG A 73 -30.064 3.459 -0.541 1.00 0.00 N ATOM 1169 OXT ARG A 73 -26.752 5.978 -1.296 1.00 0.00 O ATOM 0 H ARG A 73 -23.976 6.365 -3.587 1.00 0.00 H new ATOM 0 HA ARG A 73 -26.917 6.623 -4.059 1.00 0.00 H new ATOM 0 HB2 ARG A 73 -25.465 4.152 -4.236 1.00 0.00 H new ATOM 0 HB3 ARG A 73 -26.153 4.161 -2.624 1.00 0.00 H new ATOM 0 HG2 ARG A 73 -28.276 5.114 -4.176 1.00 0.00 H new ATOM 0 HG3 ARG A 73 -27.524 3.952 -5.252 1.00 0.00 H new ATOM 0 HD2 ARG A 73 -29.227 2.823 -3.798 1.00 0.00 H new ATOM 0 HD3 ARG A 73 -27.627 2.199 -3.447 1.00 0.00 H new ATOM 0 HE ARG A 73 -27.907 4.491 -1.759 1.00 0.00 H new ATOM 0 HH11 ARG A 73 -27.808 1.319 -1.230 1.00 0.00 H new ATOM 0 HH12 ARG A 73 -29.145 1.202 -0.081 1.00 0.00 H new ATOM 0 HH21 ARG A 73 -30.367 4.399 -0.797 1.00 0.00 H new ATOM 0 HH22 ARG A 73 -30.581 2.930 0.162 1.00 0.00 H new TER 1183 ARG A 73