USER MOD reduce.3.24.130724 H: found=0, std=0, add=602, rem=0, adj=17 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 Single : A 1 VAL N :NH3+ -157:sc= -0.114 (180deg=-1.24!) USER MOD Single : A 5 SER OG : rot 180:sc= 0 USER MOD Single : A 9 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Single : A 13 SER OG : rot 180:sc= -0.44 USER MOD Single : A 14 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 19 ASN : amide:sc= -0.016 K(o=-0.016,f=-1.4!) 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 25 GLN : amide:sc= -2.79! C(o=-2.8!,f=-7.5!) USER MOD Single : A 27 SER OG : rot -72:sc= 0.819 USER MOD Single : A 28 SER OG : rot 44:sc= 0.689 USER MOD Single : A 30 SER OG : rot 180:sc= 0 USER MOD Single : A 31 THR OG1 : rot -78:sc= 0.971 USER MOD Single : A 34 LYS NZ :NH3+ 180:sc=-0.00821 (180deg=-0.00821) USER MOD Single : A 40 THR OG1 : rot 180:sc= -2.98! USER MOD Single : A 41 THR OG1 : rot 180:sc= 0 USER MOD Single : A 42 LYS NZ :NH3+ 168:sc= -0.048 (180deg=-0.274) USER MOD Single : A 43 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 45 GLN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 46 GLN : amide:sc= -0.0184 X(o=-0.018,f=-0.21) USER MOD Single : A 47 SER OG : rot 180:sc= 0 USER MOD Single : A 52 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 53 GLN : amide:sc= -1.01 K(o=-1,f=-3.7!) USER MOD Single : A 57 GLN : amide:sc= -0.367 K(o=-0.37,f=-1.9!) USER MOD Single : A 59 TYR OH : rot 108:sc= 0.34 USER MOD Single : A 60 MET CE :methyl -168:sc= -15.8! (180deg=-16.3!) USER MOD Single : A 61 LYS NZ :NH3+ 147:sc= -0.105 (180deg=-0.239) USER MOD Single : A 62 ASN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 66 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 67 GLN : amide:sc= -0.439 K(o=-0.44,f=-2) USER MOD Single : A 68 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 69 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 71 SER OG : rot 180:sc= 0 USER MOD ----------------------------------------------------------------- ATOM 1 N VAL A 1 -4.997 12.890 3.826 1.00 0.00 N ATOM 2 CA VAL A 1 -3.791 12.928 4.702 1.00 0.00 C ATOM 3 C VAL A 1 -2.606 12.254 4.003 1.00 0.00 C ATOM 4 O VAL A 1 -2.380 11.070 4.152 1.00 0.00 O ATOM 5 CB VAL A 1 -4.188 12.152 5.957 1.00 0.00 C ATOM 6 CG1 VAL A 1 -3.007 12.113 6.928 1.00 0.00 C ATOM 7 CG2 VAL A 1 -5.378 12.841 6.630 1.00 0.00 C ATOM 0 H1 VAL A 1 -5.652 13.649 4.103 1.00 0.00 H new ATOM 0 H2 VAL A 1 -4.711 13.024 2.835 1.00 0.00 H new ATOM 0 H3 VAL A 1 -5.471 11.970 3.928 1.00 0.00 H new ATOM 0 HA VAL A 1 -3.482 13.947 4.935 1.00 0.00 H new ATOM 0 HB VAL A 1 -4.466 11.135 5.681 1.00 0.00 H new ATOM 0 HG11 VAL A 1 -3.290 11.559 7.823 1.00 0.00 H new ATOM 0 HG12 VAL A 1 -2.159 11.622 6.450 1.00 0.00 H new ATOM 0 HG13 VAL A 1 -2.729 13.130 7.203 1.00 0.00 H new ATOM 0 HG21 VAL A 1 -5.661 12.287 7.525 1.00 0.00 H new ATOM 0 HG22 VAL A 1 -5.101 13.859 6.905 1.00 0.00 H new ATOM 0 HG23 VAL A 1 -6.221 12.869 5.939 1.00 0.00 H new ATOM 19 N VAL A 2 -1.850 12.999 3.246 1.00 0.00 N ATOM 20 CA VAL A 2 -0.680 12.400 2.542 1.00 0.00 C ATOM 21 C VAL A 2 0.405 12.029 3.550 1.00 0.00 C ATOM 22 O VAL A 2 0.636 12.723 4.519 1.00 0.00 O ATOM 23 CB VAL A 2 -0.189 13.492 1.596 1.00 0.00 C ATOM 24 CG1 VAL A 2 -1.276 13.808 0.568 1.00 0.00 C ATOM 25 CG2 VAL A 2 0.132 14.755 2.400 1.00 0.00 C ATOM 0 H VAL A 2 -1.991 13.996 3.084 1.00 0.00 H new ATOM 0 HA VAL A 2 -0.939 11.487 2.007 1.00 0.00 H new ATOM 0 HB VAL A 2 0.708 13.148 1.081 1.00 0.00 H new ATOM 0 HG11 VAL A 2 -0.923 14.588 -0.107 1.00 0.00 H new ATOM 0 HG12 VAL A 2 -1.507 12.910 -0.005 1.00 0.00 H new ATOM 0 HG13 VAL A 2 -2.174 14.151 1.082 1.00 0.00 H new ATOM 0 HG21 VAL A 2 0.483 15.536 1.726 1.00 0.00 H new ATOM 0 HG22 VAL A 2 -0.766 15.097 2.915 1.00 0.00 H new ATOM 0 HG23 VAL A 2 0.908 14.533 3.133 1.00 0.00 H new ATOM 35 N ILE A 3 1.051 10.921 3.335 1.00 0.00 N ATOM 36 CA ILE A 3 2.103 10.467 4.275 1.00 0.00 C ATOM 37 C ILE A 3 3.405 10.146 3.522 1.00 0.00 C ATOM 38 O ILE A 3 3.861 9.020 3.538 1.00 0.00 O ATOM 39 CB ILE A 3 1.507 9.204 4.888 1.00 0.00 C ATOM 40 CG1 ILE A 3 2.547 8.587 5.857 1.00 0.00 C ATOM 41 CG2 ILE A 3 1.101 8.236 3.755 1.00 0.00 C ATOM 42 CD1 ILE A 3 2.724 7.078 5.632 1.00 0.00 C ATOM 0 H ILE A 3 0.892 10.305 2.538 1.00 0.00 H new ATOM 0 HA ILE A 3 2.365 11.220 5.019 1.00 0.00 H new ATOM 0 HB ILE A 3 0.607 9.426 5.462 1.00 0.00 H new ATOM 0 HG12 ILE A 3 3.506 9.088 5.725 1.00 0.00 H new ATOM 0 HG13 ILE A 3 2.234 8.765 6.886 1.00 0.00 H new ATOM 0 HG21 ILE A 3 0.674 7.330 4.186 1.00 0.00 H new ATOM 0 HG22 ILE A 3 0.362 8.716 3.114 1.00 0.00 H new ATOM 0 HG23 ILE A 3 1.980 7.977 3.165 1.00 0.00 H new ATOM 0 HD11 ILE A 3 3.462 6.690 6.334 1.00 0.00 H new ATOM 0 HD12 ILE A 3 1.772 6.572 5.791 1.00 0.00 H new ATOM 0 HD13 ILE A 3 3.064 6.900 4.612 1.00 0.00 H new ATOM 54 N PRO A 4 3.962 11.147 2.884 1.00 0.00 N ATOM 55 CA PRO A 4 5.219 10.955 2.124 1.00 0.00 C ATOM 56 C PRO A 4 6.426 10.993 3.069 1.00 0.00 C ATOM 57 O PRO A 4 7.483 10.472 2.768 1.00 0.00 O ATOM 58 CB PRO A 4 5.248 12.148 1.176 1.00 0.00 C ATOM 59 CG PRO A 4 4.427 13.210 1.844 1.00 0.00 C ATOM 60 CD PRO A 4 3.482 12.533 2.805 1.00 0.00 C ATOM 0 HA PRO A 4 5.262 9.997 1.606 1.00 0.00 H new ATOM 0 HB2 PRO A 4 6.269 12.490 1.006 1.00 0.00 H new ATOM 0 HB3 PRO A 4 4.834 11.886 0.202 1.00 0.00 H new ATOM 0 HG2 PRO A 4 5.071 13.912 2.374 1.00 0.00 H new ATOM 0 HG3 PRO A 4 3.871 13.784 1.103 1.00 0.00 H new ATOM 0 HD2 PRO A 4 3.499 13.015 3.783 1.00 0.00 H new ATOM 0 HD3 PRO A 4 2.454 12.576 2.446 1.00 0.00 H new ATOM 68 N SER A 5 6.274 11.619 4.205 1.00 0.00 N ATOM 69 CA SER A 5 7.402 11.718 5.180 1.00 0.00 C ATOM 70 C SER A 5 8.123 10.372 5.357 1.00 0.00 C ATOM 71 O SER A 5 9.331 10.304 5.238 1.00 0.00 O ATOM 72 CB SER A 5 6.744 12.141 6.494 1.00 0.00 C ATOM 73 OG SER A 5 6.915 13.540 6.675 1.00 0.00 O ATOM 0 H SER A 5 5.409 12.071 4.503 1.00 0.00 H new ATOM 0 HA SER A 5 8.161 12.423 4.839 1.00 0.00 H new ATOM 0 HB2 SER A 5 5.683 11.891 6.480 1.00 0.00 H new ATOM 0 HB3 SER A 5 7.188 11.598 7.328 1.00 0.00 H new ATOM 0 HG SER A 5 6.493 13.815 7.516 1.00 0.00 H new ATOM 79 N PRO A 6 7.368 9.348 5.661 1.00 0.00 N ATOM 80 CA PRO A 6 7.963 8.007 5.882 1.00 0.00 C ATOM 81 C PRO A 6 8.386 7.356 4.562 1.00 0.00 C ATOM 82 O PRO A 6 7.865 7.657 3.509 1.00 0.00 O ATOM 83 CB PRO A 6 6.837 7.217 6.533 1.00 0.00 C ATOM 84 CG PRO A 6 5.582 7.889 6.087 1.00 0.00 C ATOM 85 CD PRO A 6 5.911 9.336 5.824 1.00 0.00 C ATOM 0 HA PRO A 6 8.866 8.049 6.491 1.00 0.00 H new ATOM 0 HB2 PRO A 6 6.857 6.173 6.222 1.00 0.00 H new ATOM 0 HB3 PRO A 6 6.925 7.227 7.619 1.00 0.00 H new ATOM 0 HG2 PRO A 6 5.193 7.415 5.186 1.00 0.00 H new ATOM 0 HG3 PRO A 6 4.809 7.804 6.851 1.00 0.00 H new ATOM 0 HD2 PRO A 6 5.407 9.703 4.930 1.00 0.00 H new ATOM 0 HD3 PRO A 6 5.597 9.973 6.651 1.00 0.00 H new ATOM 93 N CYS A 7 9.329 6.454 4.625 1.00 0.00 N ATOM 94 CA CYS A 7 9.797 5.759 3.391 1.00 0.00 C ATOM 95 C CYS A 7 10.069 4.284 3.705 1.00 0.00 C ATOM 96 O CYS A 7 10.582 3.950 4.755 1.00 0.00 O ATOM 97 CB CYS A 7 11.091 6.472 2.996 1.00 0.00 C ATOM 98 SG CYS A 7 11.562 5.981 1.318 1.00 0.00 S ATOM 0 H CYS A 7 9.798 6.167 5.484 1.00 0.00 H new ATOM 0 HA CYS A 7 9.061 5.791 2.588 1.00 0.00 H new ATOM 0 HB2 CYS A 7 10.953 7.552 3.045 1.00 0.00 H new ATOM 0 HB3 CYS A 7 11.887 6.220 3.697 1.00 0.00 H new ATOM 103 N CYS A 8 9.725 3.398 2.811 1.00 0.00 N ATOM 104 CA CYS A 8 9.963 1.950 3.074 1.00 0.00 C ATOM 105 C CYS A 8 11.403 1.568 2.714 1.00 0.00 C ATOM 106 O CYS A 8 12.270 2.411 2.597 1.00 0.00 O ATOM 107 CB CYS A 8 8.965 1.214 2.176 1.00 0.00 C ATOM 108 SG CYS A 8 9.330 1.565 0.436 1.00 0.00 S ATOM 0 H CYS A 8 9.291 3.613 1.913 1.00 0.00 H new ATOM 0 HA CYS A 8 9.828 1.696 4.125 1.00 0.00 H new ATOM 0 HB2 CYS A 8 9.020 0.141 2.359 1.00 0.00 H new ATOM 0 HB3 CYS A 8 7.948 1.527 2.414 1.00 0.00 H new ATOM 113 N MET A 9 11.662 0.302 2.534 1.00 0.00 N ATOM 114 CA MET A 9 13.040 -0.140 2.179 1.00 0.00 C ATOM 115 C MET A 9 12.982 -1.096 0.973 1.00 0.00 C ATOM 116 O MET A 9 12.500 -0.732 -0.080 1.00 0.00 O ATOM 117 CB MET A 9 13.565 -0.834 3.443 1.00 0.00 C ATOM 118 CG MET A 9 12.577 -1.913 3.894 1.00 0.00 C ATOM 119 SD MET A 9 11.729 -1.369 5.399 1.00 0.00 S ATOM 120 CE MET A 9 10.102 -2.056 5.008 1.00 0.00 C ATOM 0 H MET A 9 10.976 -0.448 2.618 1.00 0.00 H new ATOM 0 HA MET A 9 13.695 0.680 1.885 1.00 0.00 H new ATOM 0 HB2 MET A 9 14.539 -1.281 3.245 1.00 0.00 H new ATOM 0 HB3 MET A 9 13.706 -0.102 4.238 1.00 0.00 H new ATOM 0 HG2 MET A 9 11.850 -2.108 3.105 1.00 0.00 H new ATOM 0 HG3 MET A 9 13.104 -2.849 4.080 1.00 0.00 H new ATOM 0 HE1 MET A 9 9.408 -1.833 5.819 1.00 0.00 H new ATOM 0 HE2 MET A 9 9.733 -1.614 4.083 1.00 0.00 H new ATOM 0 HE3 MET A 9 10.183 -3.136 4.887 1.00 0.00 H new ATOM 130 N PHE A 10 13.458 -2.312 1.102 1.00 0.00 N ATOM 131 CA PHE A 10 13.407 -3.252 -0.057 1.00 0.00 C ATOM 132 C PHE A 10 11.983 -3.317 -0.619 1.00 0.00 C ATOM 133 O PHE A 10 11.027 -2.988 0.053 1.00 0.00 O ATOM 134 CB PHE A 10 13.826 -4.613 0.517 1.00 0.00 C ATOM 135 CG PHE A 10 12.773 -5.114 1.482 1.00 0.00 C ATOM 136 CD1 PHE A 10 11.630 -5.763 0.995 1.00 0.00 C ATOM 137 CD2 PHE A 10 12.938 -4.929 2.860 1.00 0.00 C ATOM 138 CE1 PHE A 10 10.653 -6.225 1.886 1.00 0.00 C ATOM 139 CE2 PHE A 10 11.962 -5.392 3.751 1.00 0.00 C ATOM 140 CZ PHE A 10 10.820 -6.039 3.264 1.00 0.00 C ATOM 0 H PHE A 10 13.876 -2.689 1.953 1.00 0.00 H new ATOM 0 HA PHE A 10 14.057 -2.940 -0.875 1.00 0.00 H new ATOM 0 HB2 PHE A 10 13.962 -5.332 -0.291 1.00 0.00 H new ATOM 0 HB3 PHE A 10 14.785 -4.522 1.027 1.00 0.00 H new ATOM 0 HD1 PHE A 10 11.503 -5.907 -0.068 1.00 0.00 H new ATOM 0 HD2 PHE A 10 13.818 -4.429 3.236 1.00 0.00 H new ATOM 0 HE1 PHE A 10 9.772 -6.724 1.511 1.00 0.00 H new ATOM 0 HE2 PHE A 10 12.090 -5.250 4.814 1.00 0.00 H new ATOM 0 HZ PHE A 10 10.067 -6.395 3.952 1.00 0.00 H new ATOM 150 N PHE A 11 11.831 -3.747 -1.841 1.00 0.00 N ATOM 151 CA PHE A 11 10.462 -3.837 -2.419 1.00 0.00 C ATOM 152 C PHE A 11 9.883 -5.226 -2.158 1.00 0.00 C ATOM 153 O PHE A 11 10.595 -6.209 -2.127 1.00 0.00 O ATOM 154 CB PHE A 11 10.633 -3.603 -3.923 1.00 0.00 C ATOM 155 CG PHE A 11 9.942 -2.319 -4.324 1.00 0.00 C ATOM 156 CD1 PHE A 11 8.673 -2.014 -3.817 1.00 0.00 C ATOM 157 CD2 PHE A 11 10.570 -1.437 -5.209 1.00 0.00 C ATOM 158 CE1 PHE A 11 8.036 -0.827 -4.192 1.00 0.00 C ATOM 159 CE2 PHE A 11 9.933 -0.249 -5.586 1.00 0.00 C ATOM 160 CZ PHE A 11 8.665 0.056 -5.076 1.00 0.00 C ATOM 0 H PHE A 11 12.588 -4.037 -2.459 1.00 0.00 H new ATOM 0 HA PHE A 11 9.781 -3.110 -1.977 1.00 0.00 H new ATOM 0 HB2 PHE A 11 11.692 -3.550 -4.174 1.00 0.00 H new ATOM 0 HB3 PHE A 11 10.215 -4.441 -4.481 1.00 0.00 H new ATOM 0 HD1 PHE A 11 8.186 -2.696 -3.136 1.00 0.00 H new ATOM 0 HD2 PHE A 11 11.548 -1.673 -5.602 1.00 0.00 H new ATOM 0 HE1 PHE A 11 7.058 -0.592 -3.799 1.00 0.00 H new ATOM 0 HE2 PHE A 11 10.419 0.432 -6.269 1.00 0.00 H new ATOM 0 HZ PHE A 11 8.173 0.973 -5.365 1.00 0.00 H new ATOM 170 N VAL A 12 8.597 -5.317 -1.973 1.00 0.00 N ATOM 171 CA VAL A 12 7.973 -6.646 -1.717 1.00 0.00 C ATOM 172 C VAL A 12 8.430 -7.659 -2.766 1.00 0.00 C ATOM 173 O VAL A 12 8.429 -7.381 -3.949 1.00 0.00 O ATOM 174 CB VAL A 12 6.465 -6.413 -1.835 1.00 0.00 C ATOM 175 CG1 VAL A 12 5.987 -5.556 -0.664 1.00 0.00 C ATOM 176 CG2 VAL A 12 6.150 -5.696 -3.154 1.00 0.00 C ATOM 0 H VAL A 12 7.950 -4.529 -1.988 1.00 0.00 H new ATOM 0 HA VAL A 12 8.252 -7.044 -0.741 1.00 0.00 H new ATOM 0 HB VAL A 12 5.952 -7.375 -1.817 1.00 0.00 H new ATOM 0 HG11 VAL A 12 4.913 -5.391 -0.749 1.00 0.00 H new ATOM 0 HG12 VAL A 12 6.202 -6.068 0.274 1.00 0.00 H new ATOM 0 HG13 VAL A 12 6.504 -4.597 -0.680 1.00 0.00 H new ATOM 0 HG21 VAL A 12 5.075 -5.533 -3.232 1.00 0.00 H new ATOM 0 HG22 VAL A 12 6.665 -4.736 -3.178 1.00 0.00 H new ATOM 0 HG23 VAL A 12 6.486 -6.309 -3.990 1.00 0.00 H new ATOM 186 N SER A 13 8.814 -8.834 -2.350 1.00 0.00 N ATOM 187 CA SER A 13 9.257 -9.850 -3.340 1.00 0.00 C ATOM 188 C SER A 13 8.113 -10.122 -4.316 1.00 0.00 C ATOM 189 O SER A 13 8.327 -10.499 -5.450 1.00 0.00 O ATOM 190 CB SER A 13 9.578 -11.097 -2.518 1.00 0.00 C ATOM 191 OG SER A 13 9.409 -12.251 -3.331 1.00 0.00 O ATOM 0 H SER A 13 8.840 -9.131 -1.375 1.00 0.00 H new ATOM 0 HA SER A 13 10.120 -9.530 -3.923 1.00 0.00 H new ATOM 0 HB2 SER A 13 10.601 -11.047 -2.145 1.00 0.00 H new ATOM 0 HB3 SER A 13 8.924 -11.152 -1.648 1.00 0.00 H new ATOM 0 HG SER A 13 9.616 -13.053 -2.807 1.00 0.00 H new ATOM 197 N LYS A 14 6.898 -9.919 -3.880 1.00 0.00 N ATOM 198 CA LYS A 14 5.733 -10.149 -4.778 1.00 0.00 C ATOM 199 C LYS A 14 4.542 -9.295 -4.335 1.00 0.00 C ATOM 200 O LYS A 14 4.588 -8.617 -3.329 1.00 0.00 O ATOM 201 CB LYS A 14 5.407 -11.638 -4.641 1.00 0.00 C ATOM 202 CG LYS A 14 6.555 -12.474 -5.212 1.00 0.00 C ATOM 203 CD LYS A 14 6.073 -13.903 -5.459 1.00 0.00 C ATOM 204 CE LYS A 14 6.291 -14.742 -4.197 1.00 0.00 C ATOM 205 NZ LYS A 14 5.364 -15.900 -4.342 1.00 0.00 N ATOM 0 H LYS A 14 6.664 -9.603 -2.939 1.00 0.00 H new ATOM 0 HA LYS A 14 5.952 -9.875 -5.810 1.00 0.00 H new ATOM 0 HB2 LYS A 14 5.248 -11.890 -3.593 1.00 0.00 H new ATOM 0 HB3 LYS A 14 4.481 -11.867 -5.168 1.00 0.00 H new ATOM 0 HG2 LYS A 14 6.911 -12.033 -6.143 1.00 0.00 H new ATOM 0 HG3 LYS A 14 7.396 -12.478 -4.519 1.00 0.00 H new ATOM 0 HD2 LYS A 14 5.017 -13.900 -5.728 1.00 0.00 H new ATOM 0 HD3 LYS A 14 6.615 -14.341 -6.297 1.00 0.00 H new ATOM 0 HE2 LYS A 14 7.327 -15.073 -4.116 1.00 0.00 H new ATOM 0 HE3 LYS A 14 6.069 -14.168 -3.298 1.00 0.00 H new ATOM 0 HZ1 LYS A 14 5.455 -16.523 -3.514 1.00 0.00 H new ATOM 0 HZ2 LYS A 14 4.385 -15.555 -4.410 1.00 0.00 H new ATOM 0 HZ3 LYS A 14 5.604 -16.431 -5.203 1.00 0.00 H new ATOM 219 N ARG A 15 3.472 -9.326 -5.085 1.00 0.00 N ATOM 220 CA ARG A 15 2.275 -8.518 -4.712 1.00 0.00 C ATOM 221 C ARG A 15 1.712 -8.995 -3.370 1.00 0.00 C ATOM 222 O ARG A 15 2.432 -9.482 -2.520 1.00 0.00 O ATOM 223 CB ARG A 15 1.272 -8.754 -5.844 1.00 0.00 C ATOM 224 CG ARG A 15 0.831 -10.220 -5.848 1.00 0.00 C ATOM 225 CD ARG A 15 -0.656 -10.302 -5.501 1.00 0.00 C ATOM 226 NE ARG A 15 -1.240 -11.222 -6.517 1.00 0.00 N ATOM 227 CZ ARG A 15 -1.269 -10.873 -7.774 1.00 0.00 C ATOM 228 NH1 ARG A 15 -1.791 -9.728 -8.120 1.00 0.00 N ATOM 229 NH2 ARG A 15 -0.779 -11.668 -8.685 1.00 0.00 N ATOM 0 H ARG A 15 3.376 -9.876 -5.939 1.00 0.00 H new ATOM 0 HA ARG A 15 2.507 -7.460 -4.593 1.00 0.00 H new ATOM 0 HB2 ARG A 15 0.406 -8.104 -5.716 1.00 0.00 H new ATOM 0 HB3 ARG A 15 1.724 -8.498 -6.802 1.00 0.00 H new ATOM 0 HG2 ARG A 15 1.013 -10.664 -6.827 1.00 0.00 H new ATOM 0 HG3 ARG A 15 1.416 -10.790 -5.126 1.00 0.00 H new ATOM 0 HD2 ARG A 15 -0.805 -10.684 -4.491 1.00 0.00 H new ATOM 0 HD3 ARG A 15 -1.126 -9.319 -5.543 1.00 0.00 H new ATOM 0 HE ARG A 15 -1.617 -12.125 -6.230 1.00 0.00 H new ATOM 0 HH11 ARG A 15 -2.176 -9.107 -7.408 1.00 0.00 H new ATOM 0 HH12 ARG A 15 -1.814 -9.454 -9.102 1.00 0.00 H new ATOM 0 HH21 ARG A 15 -0.373 -12.564 -8.415 1.00 0.00 H new ATOM 0 HH22 ARG A 15 -0.802 -11.394 -9.667 1.00 0.00 H new ATOM 243 N ILE A 16 0.431 -8.851 -3.171 1.00 0.00 N ATOM 244 CA ILE A 16 -0.182 -9.293 -1.877 1.00 0.00 C ATOM 245 C ILE A 16 -1.624 -9.749 -2.129 1.00 0.00 C ATOM 246 O ILE A 16 -2.187 -9.444 -3.158 1.00 0.00 O ATOM 247 CB ILE A 16 -0.173 -8.063 -0.933 1.00 0.00 C ATOM 248 CG1 ILE A 16 0.906 -7.041 -1.351 1.00 0.00 C ATOM 249 CG2 ILE A 16 0.104 -8.539 0.494 1.00 0.00 C ATOM 250 CD1 ILE A 16 1.002 -5.908 -0.319 1.00 0.00 C ATOM 0 H ILE A 16 -0.221 -8.448 -3.844 1.00 0.00 H new ATOM 0 HA ILE A 16 0.370 -10.124 -1.437 1.00 0.00 H new ATOM 0 HB ILE A 16 -1.144 -7.571 -0.992 1.00 0.00 H new ATOM 0 HG12 ILE A 16 1.871 -7.539 -1.443 1.00 0.00 H new ATOM 0 HG13 ILE A 16 0.665 -6.629 -2.331 1.00 0.00 H new ATOM 0 HG21 ILE A 16 0.113 -7.682 1.168 1.00 0.00 H new ATOM 0 HG22 ILE A 16 -0.675 -9.236 0.803 1.00 0.00 H new ATOM 0 HG23 ILE A 16 1.072 -9.039 0.529 1.00 0.00 H new ATOM 0 HD11 ILE A 16 1.767 -5.197 -0.630 1.00 0.00 H new ATOM 0 HD12 ILE A 16 0.041 -5.399 -0.247 1.00 0.00 H new ATOM 0 HD13 ILE A 16 1.266 -6.323 0.654 1.00 0.00 H new ATOM 262 N PRO A 17 -2.183 -10.461 -1.181 1.00 0.00 N ATOM 263 CA PRO A 17 -3.570 -10.934 -1.309 1.00 0.00 C ATOM 264 C PRO A 17 -4.529 -9.895 -0.718 1.00 0.00 C ATOM 265 O PRO A 17 -4.498 -9.607 0.464 1.00 0.00 O ATOM 266 CB PRO A 17 -3.575 -12.220 -0.495 1.00 0.00 C ATOM 267 CG PRO A 17 -2.451 -12.082 0.489 1.00 0.00 C ATOM 268 CD PRO A 17 -1.596 -10.902 0.081 1.00 0.00 C ATOM 0 HA PRO A 17 -3.891 -11.092 -2.339 1.00 0.00 H new ATOM 0 HB2 PRO A 17 -4.528 -12.356 0.016 1.00 0.00 H new ATOM 0 HB3 PRO A 17 -3.430 -13.090 -1.136 1.00 0.00 H new ATOM 0 HG2 PRO A 17 -2.844 -11.935 1.495 1.00 0.00 H new ATOM 0 HG3 PRO A 17 -1.853 -12.993 0.511 1.00 0.00 H new ATOM 0 HD2 PRO A 17 -1.622 -10.112 0.831 1.00 0.00 H new ATOM 0 HD3 PRO A 17 -0.552 -11.189 -0.043 1.00 0.00 H new ATOM 276 N GLU A 18 -5.365 -9.315 -1.537 1.00 0.00 N ATOM 277 CA GLU A 18 -6.320 -8.275 -1.046 1.00 0.00 C ATOM 278 C GLU A 18 -7.000 -8.704 0.261 1.00 0.00 C ATOM 279 O GLU A 18 -7.286 -7.887 1.115 1.00 0.00 O ATOM 280 CB GLU A 18 -7.354 -8.141 -2.164 1.00 0.00 C ATOM 281 CG GLU A 18 -7.729 -6.669 -2.340 1.00 0.00 C ATOM 282 CD GLU A 18 -9.250 -6.542 -2.439 1.00 0.00 C ATOM 283 OE1 GLU A 18 -9.777 -6.795 -3.510 1.00 0.00 O ATOM 284 OE2 GLU A 18 -9.862 -6.194 -1.443 1.00 0.00 O ATOM 0 H GLU A 18 -5.429 -9.518 -2.535 1.00 0.00 H new ATOM 0 HA GLU A 18 -5.812 -7.336 -0.826 1.00 0.00 H new ATOM 0 HB2 GLU A 18 -6.951 -8.538 -3.096 1.00 0.00 H new ATOM 0 HB3 GLU A 18 -8.241 -8.727 -1.925 1.00 0.00 H new ATOM 0 HG2 GLU A 18 -7.358 -6.084 -1.498 1.00 0.00 H new ATOM 0 HG3 GLU A 18 -7.260 -6.267 -3.238 1.00 0.00 H new ATOM 291 N ASN A 19 -7.271 -9.969 0.422 1.00 0.00 N ATOM 292 CA ASN A 19 -7.943 -10.431 1.673 1.00 0.00 C ATOM 293 C ASN A 19 -7.044 -10.203 2.895 1.00 0.00 C ATOM 294 O ASN A 19 -7.492 -10.272 4.022 1.00 0.00 O ATOM 295 CB ASN A 19 -8.186 -11.925 1.462 1.00 0.00 C ATOM 296 CG ASN A 19 -9.473 -12.123 0.658 1.00 0.00 C ATOM 297 OD1 ASN A 19 -9.989 -11.190 0.078 1.00 0.00 O ATOM 298 ND2 ASN A 19 -10.015 -13.309 0.601 1.00 0.00 N ATOM 0 H ASN A 19 -7.058 -10.702 -0.254 1.00 0.00 H new ATOM 0 HA ASN A 19 -8.867 -9.884 1.862 1.00 0.00 H new ATOM 0 HB2 ASN A 19 -7.343 -12.371 0.935 1.00 0.00 H new ATOM 0 HB3 ASN A 19 -8.264 -12.431 2.424 1.00 0.00 H new ATOM 0 HD21 ASN A 19 -10.873 -13.453 0.069 1.00 0.00 H new ATOM 0 HD22 ASN A 19 -9.580 -14.092 1.089 1.00 0.00 H new ATOM 305 N ARG A 20 -5.783 -9.945 2.687 1.00 0.00 N ATOM 306 CA ARG A 20 -4.868 -9.729 3.842 1.00 0.00 C ATOM 307 C ARG A 20 -4.497 -8.250 3.974 1.00 0.00 C ATOM 308 O ARG A 20 -4.303 -7.742 5.060 1.00 0.00 O ATOM 309 CB ARG A 20 -3.635 -10.561 3.506 1.00 0.00 C ATOM 310 CG ARG A 20 -3.980 -12.047 3.609 1.00 0.00 C ATOM 311 CD ARG A 20 -2.728 -12.838 3.990 1.00 0.00 C ATOM 312 NE ARG A 20 -3.234 -14.041 4.709 1.00 0.00 N ATOM 313 CZ ARG A 20 -2.397 -14.950 5.129 1.00 0.00 C ATOM 314 NH1 ARG A 20 -1.283 -15.160 4.483 1.00 0.00 N ATOM 315 NH2 ARG A 20 -2.674 -15.651 6.195 1.00 0.00 N ATOM 0 H ARG A 20 -5.347 -9.874 1.768 1.00 0.00 H new ATOM 0 HA ARG A 20 -5.323 -10.016 4.790 1.00 0.00 H new ATOM 0 HB2 ARG A 20 -3.288 -10.326 2.500 1.00 0.00 H new ATOM 0 HB3 ARG A 20 -2.821 -10.317 4.189 1.00 0.00 H new ATOM 0 HG2 ARG A 20 -4.760 -12.199 4.355 1.00 0.00 H new ATOM 0 HG3 ARG A 20 -4.374 -12.406 2.658 1.00 0.00 H new ATOM 0 HD2 ARG A 20 -2.155 -13.119 3.106 1.00 0.00 H new ATOM 0 HD3 ARG A 20 -2.067 -12.248 4.625 1.00 0.00 H new ATOM 0 HE ARG A 20 -4.234 -14.154 4.873 1.00 0.00 H new ATOM 0 HH11 ARG A 20 -1.066 -14.614 3.649 1.00 0.00 H new ATOM 0 HH12 ARG A 20 -0.629 -15.871 4.812 1.00 0.00 H new ATOM 0 HH21 ARG A 20 -3.545 -15.488 6.700 1.00 0.00 H new ATOM 0 HH22 ARG A 20 -2.019 -16.361 6.523 1.00 0.00 H new ATOM 329 N VAL A 21 -4.389 -7.560 2.877 1.00 0.00 N ATOM 330 CA VAL A 21 -4.021 -6.113 2.935 1.00 0.00 C ATOM 331 C VAL A 21 -5.167 -5.295 3.538 1.00 0.00 C ATOM 332 O VAL A 21 -6.318 -5.675 3.463 1.00 0.00 O ATOM 333 CB VAL A 21 -3.785 -5.699 1.482 1.00 0.00 C ATOM 334 CG1 VAL A 21 -3.242 -4.271 1.442 1.00 0.00 C ATOM 335 CG2 VAL A 21 -2.774 -6.646 0.834 1.00 0.00 C ATOM 0 H VAL A 21 -4.539 -7.932 1.939 1.00 0.00 H new ATOM 0 HA VAL A 21 -3.143 -5.942 3.557 1.00 0.00 H new ATOM 0 HB VAL A 21 -4.727 -5.748 0.935 1.00 0.00 H new ATOM 0 HG11 VAL A 21 -3.073 -3.975 0.407 1.00 0.00 H new ATOM 0 HG12 VAL A 21 -3.963 -3.594 1.900 1.00 0.00 H new ATOM 0 HG13 VAL A 21 -2.301 -4.224 1.991 1.00 0.00 H new ATOM 0 HG21 VAL A 21 -2.608 -6.348 -0.201 1.00 0.00 H new ATOM 0 HG22 VAL A 21 -1.832 -6.601 1.380 1.00 0.00 H new ATOM 0 HG23 VAL A 21 -3.161 -7.665 0.861 1.00 0.00 H new ATOM 345 N VAL A 22 -4.862 -4.175 4.138 1.00 0.00 N ATOM 346 CA VAL A 22 -5.932 -3.345 4.743 1.00 0.00 C ATOM 347 C VAL A 22 -5.837 -1.901 4.256 1.00 0.00 C ATOM 348 O VAL A 22 -6.832 -1.250 4.007 1.00 0.00 O ATOM 349 CB VAL A 22 -5.672 -3.403 6.245 1.00 0.00 C ATOM 350 CG1 VAL A 22 -5.873 -4.827 6.742 1.00 0.00 C ATOM 351 CG2 VAL A 22 -4.239 -2.961 6.560 1.00 0.00 C ATOM 0 H VAL A 22 -3.917 -3.803 4.233 1.00 0.00 H new ATOM 0 HA VAL A 22 -6.925 -3.707 4.475 1.00 0.00 H new ATOM 0 HB VAL A 22 -6.370 -2.731 6.744 1.00 0.00 H new ATOM 0 HG11 VAL A 22 -5.687 -4.867 7.815 1.00 0.00 H new ATOM 0 HG12 VAL A 22 -6.896 -5.142 6.539 1.00 0.00 H new ATOM 0 HG13 VAL A 22 -5.180 -5.493 6.228 1.00 0.00 H new ATOM 0 HG21 VAL A 22 -4.072 -3.009 7.636 1.00 0.00 H new ATOM 0 HG22 VAL A 22 -3.535 -3.621 6.054 1.00 0.00 H new ATOM 0 HG23 VAL A 22 -4.090 -1.938 6.215 1.00 0.00 H new ATOM 361 N SER A 23 -4.647 -1.391 4.143 1.00 0.00 N ATOM 362 CA SER A 23 -4.480 0.019 3.701 1.00 0.00 C ATOM 363 C SER A 23 -2.998 0.319 3.477 1.00 0.00 C ATOM 364 O SER A 23 -2.140 -0.269 4.106 1.00 0.00 O ATOM 365 CB SER A 23 -5.030 0.834 4.863 1.00 0.00 C ATOM 366 OG SER A 23 -4.974 2.218 4.540 1.00 0.00 O ATOM 0 H SER A 23 -3.779 -1.890 4.338 1.00 0.00 H new ATOM 0 HA SER A 23 -4.989 0.241 2.763 1.00 0.00 H new ATOM 0 HB2 SER A 23 -6.058 0.540 5.073 1.00 0.00 H new ATOM 0 HB3 SER A 23 -4.452 0.637 5.766 1.00 0.00 H new ATOM 0 HG SER A 23 -5.330 2.743 5.287 1.00 0.00 H new ATOM 372 N TYR A 24 -2.684 1.205 2.573 1.00 0.00 N ATOM 373 CA TYR A 24 -1.254 1.499 2.309 1.00 0.00 C ATOM 374 C TYR A 24 -0.826 2.863 2.869 1.00 0.00 C ATOM 375 O TYR A 24 -1.561 3.537 3.563 1.00 0.00 O ATOM 376 CB TYR A 24 -1.145 1.493 0.782 1.00 0.00 C ATOM 377 CG TYR A 24 -1.854 2.701 0.207 1.00 0.00 C ATOM 378 CD1 TYR A 24 -1.167 3.914 0.066 1.00 0.00 C ATOM 379 CD2 TYR A 24 -3.198 2.610 -0.176 1.00 0.00 C ATOM 380 CE1 TYR A 24 -1.824 5.034 -0.457 1.00 0.00 C ATOM 381 CE2 TYR A 24 -3.854 3.731 -0.699 1.00 0.00 C ATOM 382 CZ TYR A 24 -3.166 4.942 -0.841 1.00 0.00 C ATOM 383 OH TYR A 24 -3.814 6.046 -1.355 1.00 0.00 O ATOM 0 H TYR A 24 -3.352 1.733 2.011 1.00 0.00 H new ATOM 0 HA TYR A 24 -0.602 0.771 2.792 1.00 0.00 H new ATOM 0 HB2 TYR A 24 -0.097 1.501 0.484 1.00 0.00 H new ATOM 0 HB3 TYR A 24 -1.584 0.579 0.382 1.00 0.00 H new ATOM 0 HD1 TYR A 24 -0.130 3.985 0.361 1.00 0.00 H new ATOM 0 HD2 TYR A 24 -3.728 1.675 -0.068 1.00 0.00 H new ATOM 0 HE1 TYR A 24 -1.295 5.969 -0.564 1.00 0.00 H new ATOM 0 HE2 TYR A 24 -4.891 3.661 -0.993 1.00 0.00 H new ATOM 0 HH TYR A 24 -4.740 5.810 -1.572 1.00 0.00 H new ATOM 393 N GLN A 25 0.368 3.258 2.531 1.00 0.00 N ATOM 394 CA GLN A 25 0.918 4.568 2.976 1.00 0.00 C ATOM 395 C GLN A 25 1.890 5.049 1.896 1.00 0.00 C ATOM 396 O GLN A 25 3.002 4.570 1.790 1.00 0.00 O ATOM 397 CB GLN A 25 1.647 4.280 4.289 1.00 0.00 C ATOM 398 CG GLN A 25 0.663 4.393 5.457 1.00 0.00 C ATOM 399 CD GLN A 25 1.417 4.244 6.780 1.00 0.00 C ATOM 400 OE1 GLN A 25 1.791 5.224 7.392 1.00 0.00 O ATOM 401 NE2 GLN A 25 1.656 3.050 7.250 1.00 0.00 N ATOM 0 H GLN A 25 1.003 2.712 1.949 1.00 0.00 H new ATOM 0 HA GLN A 25 0.160 5.337 3.125 1.00 0.00 H new ATOM 0 HB2 GLN A 25 2.084 3.282 4.263 1.00 0.00 H new ATOM 0 HB3 GLN A 25 2.469 4.984 4.423 1.00 0.00 H new ATOM 0 HG2 GLN A 25 0.153 5.356 5.424 1.00 0.00 H new ATOM 0 HG3 GLN A 25 -0.104 3.623 5.375 1.00 0.00 H new ATOM 0 HE21 GLN A 25 1.342 2.227 6.736 1.00 0.00 H new ATOM 0 HE22 GLN A 25 2.157 2.940 8.132 1.00 0.00 H new ATOM 410 N LEU A 26 1.460 5.949 1.059 1.00 0.00 N ATOM 411 CA LEU A 26 2.335 6.417 -0.054 1.00 0.00 C ATOM 412 C LEU A 26 3.599 7.113 0.448 1.00 0.00 C ATOM 413 O LEU A 26 3.627 7.708 1.508 1.00 0.00 O ATOM 414 CB LEU A 26 1.468 7.387 -0.856 1.00 0.00 C ATOM 415 CG LEU A 26 0.854 6.657 -2.052 1.00 0.00 C ATOM 416 CD1 LEU A 26 -0.058 7.613 -2.821 1.00 0.00 C ATOM 417 CD2 LEU A 26 1.967 6.162 -2.980 1.00 0.00 C ATOM 0 H LEU A 26 0.538 6.383 1.096 1.00 0.00 H new ATOM 0 HA LEU A 26 2.689 5.576 -0.650 1.00 0.00 H new ATOM 0 HB2 LEU A 26 0.680 7.795 -0.223 1.00 0.00 H new ATOM 0 HB3 LEU A 26 2.069 8.229 -1.200 1.00 0.00 H new ATOM 0 HG LEU A 26 0.274 5.806 -1.695 1.00 0.00 H new ATOM 0 HD11 LEU A 26 -0.495 7.092 -3.673 1.00 0.00 H new ATOM 0 HD12 LEU A 26 -0.853 7.965 -2.164 1.00 0.00 H new ATOM 0 HD13 LEU A 26 0.523 8.464 -3.175 1.00 0.00 H new ATOM 0 HD21 LEU A 26 1.527 5.642 -3.831 1.00 0.00 H new ATOM 0 HD22 LEU A 26 2.549 7.012 -3.335 1.00 0.00 H new ATOM 0 HD23 LEU A 26 2.618 5.479 -2.435 1.00 0.00 H new ATOM 429 N SER A 27 4.647 7.037 -0.331 1.00 0.00 N ATOM 430 CA SER A 27 5.934 7.683 0.048 1.00 0.00 C ATOM 431 C SER A 27 6.483 8.487 -1.139 1.00 0.00 C ATOM 432 O SER A 27 5.743 8.911 -2.006 1.00 0.00 O ATOM 433 CB SER A 27 6.867 6.522 0.390 1.00 0.00 C ATOM 434 OG SER A 27 7.023 5.693 -0.756 1.00 0.00 O ATOM 0 H SER A 27 4.663 6.547 -1.226 1.00 0.00 H new ATOM 0 HA SER A 27 5.826 8.377 0.881 1.00 0.00 H new ATOM 0 HB2 SER A 27 7.836 6.902 0.713 1.00 0.00 H new ATOM 0 HB3 SER A 27 6.459 5.944 1.219 1.00 0.00 H new ATOM 0 HG SER A 27 6.198 5.187 -0.909 1.00 0.00 H new ATOM 440 N SER A 28 7.772 8.700 -1.190 1.00 0.00 N ATOM 441 CA SER A 28 8.354 9.474 -2.328 1.00 0.00 C ATOM 442 C SER A 28 9.867 9.245 -2.418 1.00 0.00 C ATOM 443 O SER A 28 10.401 8.326 -1.827 1.00 0.00 O ATOM 444 CB SER A 28 8.055 10.938 -2.010 1.00 0.00 C ATOM 445 OG SER A 28 6.913 11.354 -2.748 1.00 0.00 O ATOM 0 H SER A 28 8.445 8.373 -0.496 1.00 0.00 H new ATOM 0 HA SER A 28 7.932 9.168 -3.285 1.00 0.00 H new ATOM 0 HB2 SER A 28 7.877 11.061 -0.942 1.00 0.00 H new ATOM 0 HB3 SER A 28 8.913 11.560 -2.264 1.00 0.00 H new ATOM 0 HG SER A 28 6.223 10.660 -2.702 1.00 0.00 H new ATOM 451 N ARG A 29 10.560 10.071 -3.154 1.00 0.00 N ATOM 452 CA ARG A 29 12.037 9.900 -3.285 1.00 0.00 C ATOM 453 C ARG A 29 12.770 10.879 -2.361 1.00 0.00 C ATOM 454 O ARG A 29 12.289 11.220 -1.298 1.00 0.00 O ATOM 455 CB ARG A 29 12.341 10.213 -4.752 1.00 0.00 C ATOM 456 CG ARG A 29 13.496 9.332 -5.235 1.00 0.00 C ATOM 457 CD ARG A 29 14.577 10.203 -5.877 1.00 0.00 C ATOM 458 NE ARG A 29 14.544 9.851 -7.323 1.00 0.00 N ATOM 459 CZ ARG A 29 15.087 10.647 -8.204 1.00 0.00 C ATOM 460 NH1 ARG A 29 16.114 11.383 -7.873 1.00 0.00 N ATOM 461 NH2 ARG A 29 14.604 10.707 -9.413 1.00 0.00 N ATOM 0 H ARG A 29 10.168 10.858 -3.671 1.00 0.00 H new ATOM 0 HA ARG A 29 12.364 8.899 -3.005 1.00 0.00 H new ATOM 0 HB2 ARG A 29 11.456 10.037 -5.363 1.00 0.00 H new ATOM 0 HB3 ARG A 29 12.601 11.266 -4.864 1.00 0.00 H new ATOM 0 HG2 ARG A 29 13.915 8.774 -4.398 1.00 0.00 H new ATOM 0 HG3 ARG A 29 13.131 8.600 -5.955 1.00 0.00 H new ATOM 0 HD2 ARG A 29 14.373 11.263 -5.724 1.00 0.00 H new ATOM 0 HD3 ARG A 29 15.556 10.001 -5.443 1.00 0.00 H new ATOM 0 HE ARG A 29 14.096 8.986 -7.626 1.00 0.00 H new ATOM 0 HH11 ARG A 29 16.491 11.336 -6.927 1.00 0.00 H new ATOM 0 HH12 ARG A 29 16.539 12.005 -8.561 1.00 0.00 H new ATOM 0 HH21 ARG A 29 13.802 10.132 -9.671 1.00 0.00 H new ATOM 0 HH22 ARG A 29 15.028 11.329 -10.101 1.00 0.00 H new ATOM 475 N SER A 30 13.932 11.333 -2.756 1.00 0.00 N ATOM 476 CA SER A 30 14.697 12.290 -1.901 1.00 0.00 C ATOM 477 C SER A 30 14.948 11.683 -0.517 1.00 0.00 C ATOM 478 O SER A 30 15.143 12.388 0.453 1.00 0.00 O ATOM 479 CB SER A 30 13.808 13.530 -1.791 1.00 0.00 C ATOM 480 OG SER A 30 14.399 14.598 -2.519 1.00 0.00 O ATOM 0 H SER A 30 14.385 11.082 -3.635 1.00 0.00 H new ATOM 0 HA SER A 30 15.673 12.528 -2.324 1.00 0.00 H new ATOM 0 HB2 SER A 30 12.814 13.315 -2.182 1.00 0.00 H new ATOM 0 HB3 SER A 30 13.685 13.812 -0.745 1.00 0.00 H new ATOM 0 HG SER A 30 13.831 15.394 -2.452 1.00 0.00 H new ATOM 486 N THR A 31 14.951 10.383 -0.419 1.00 0.00 N ATOM 487 CA THR A 31 15.193 9.732 0.902 1.00 0.00 C ATOM 488 C THR A 31 15.651 8.287 0.704 1.00 0.00 C ATOM 489 O THR A 31 16.596 7.833 1.317 1.00 0.00 O ATOM 490 CB THR A 31 13.846 9.770 1.631 1.00 0.00 C ATOM 491 OG1 THR A 31 12.787 9.754 0.681 1.00 0.00 O ATOM 492 CG2 THR A 31 13.756 11.039 2.478 1.00 0.00 C ATOM 0 H THR A 31 14.796 9.741 -1.197 1.00 0.00 H new ATOM 0 HA THR A 31 15.973 10.241 1.468 1.00 0.00 H new ATOM 0 HB THR A 31 13.763 8.897 2.279 1.00 0.00 H new ATOM 0 HG1 THR A 31 12.680 10.649 0.296 1.00 0.00 H new ATOM 0 HG21 THR A 31 12.797 11.064 2.996 1.00 0.00 H new ATOM 0 HG22 THR A 31 14.564 11.046 3.210 1.00 0.00 H new ATOM 0 HG23 THR A 31 13.843 11.914 1.833 1.00 0.00 H new ATOM 500 N CYS A 32 14.986 7.563 -0.147 1.00 0.00 N ATOM 501 CA CYS A 32 15.377 6.145 -0.389 1.00 0.00 C ATOM 502 C CYS A 32 15.942 5.984 -1.803 1.00 0.00 C ATOM 503 O CYS A 32 15.992 6.922 -2.573 1.00 0.00 O ATOM 504 CB CYS A 32 14.080 5.347 -0.233 1.00 0.00 C ATOM 505 SG CYS A 32 13.506 5.460 1.479 1.00 0.00 S ATOM 0 H CYS A 32 14.186 7.890 -0.688 1.00 0.00 H new ATOM 0 HA CYS A 32 16.151 5.806 0.300 1.00 0.00 H new ATOM 0 HB2 CYS A 32 13.318 5.734 -0.910 1.00 0.00 H new ATOM 0 HB3 CYS A 32 14.247 4.304 -0.504 1.00 0.00 H new ATOM 510 N LEU A 33 16.372 4.801 -2.148 1.00 0.00 N ATOM 511 CA LEU A 33 16.936 4.578 -3.511 1.00 0.00 C ATOM 512 C LEU A 33 15.811 4.489 -4.546 1.00 0.00 C ATOM 513 O LEU A 33 16.027 4.676 -5.726 1.00 0.00 O ATOM 514 CB LEU A 33 17.684 3.248 -3.416 1.00 0.00 C ATOM 515 CG LEU A 33 19.118 3.499 -2.947 1.00 0.00 C ATOM 516 CD1 LEU A 33 19.806 2.161 -2.666 1.00 0.00 C ATOM 517 CD2 LEU A 33 19.886 4.246 -4.039 1.00 0.00 C ATOM 0 H LEU A 33 16.357 3.978 -1.545 1.00 0.00 H new ATOM 0 HA LEU A 33 17.588 5.393 -3.825 1.00 0.00 H new ATOM 0 HB2 LEU A 33 17.174 2.581 -2.720 1.00 0.00 H new ATOM 0 HB3 LEU A 33 17.690 2.752 -4.387 1.00 0.00 H new ATOM 0 HG LEU A 33 19.103 4.098 -2.036 1.00 0.00 H new ATOM 0 HD11 LEU A 33 20.828 2.340 -2.332 1.00 0.00 H new ATOM 0 HD12 LEU A 33 19.259 1.627 -1.889 1.00 0.00 H new ATOM 0 HD13 LEU A 33 19.822 1.562 -3.576 1.00 0.00 H new ATOM 0 HD21 LEU A 33 20.908 4.426 -3.707 1.00 0.00 H new ATOM 0 HD22 LEU A 33 19.901 3.646 -4.949 1.00 0.00 H new ATOM 0 HD23 LEU A 33 19.397 5.199 -4.241 1.00 0.00 H new ATOM 529 N LYS A 34 14.613 4.204 -4.113 1.00 0.00 N ATOM 530 CA LYS A 34 13.478 4.102 -5.075 1.00 0.00 C ATOM 531 C LYS A 34 12.180 4.565 -4.410 1.00 0.00 C ATOM 532 O LYS A 34 12.056 4.563 -3.202 1.00 0.00 O ATOM 533 CB LYS A 34 13.399 2.619 -5.435 1.00 0.00 C ATOM 534 CG LYS A 34 13.245 1.790 -4.156 1.00 0.00 C ATOM 535 CD LYS A 34 13.052 0.318 -4.524 1.00 0.00 C ATOM 536 CE LYS A 34 14.401 -0.291 -4.911 1.00 0.00 C ATOM 537 NZ LYS A 34 14.060 -1.503 -5.707 1.00 0.00 N ATOM 0 H LYS A 34 14.371 4.038 -3.136 1.00 0.00 H new ATOM 0 HA LYS A 34 13.623 4.728 -5.956 1.00 0.00 H new ATOM 0 HB2 LYS A 34 12.555 2.440 -6.101 1.00 0.00 H new ATOM 0 HB3 LYS A 34 14.298 2.316 -5.972 1.00 0.00 H new ATOM 0 HG2 LYS A 34 14.127 1.906 -3.526 1.00 0.00 H new ATOM 0 HG3 LYS A 34 12.392 2.147 -3.579 1.00 0.00 H new ATOM 0 HD2 LYS A 34 12.624 -0.225 -3.682 1.00 0.00 H new ATOM 0 HD3 LYS A 34 12.349 0.228 -5.352 1.00 0.00 H new ATOM 0 HE2 LYS A 34 14.998 0.410 -5.495 1.00 0.00 H new ATOM 0 HE3 LYS A 34 14.986 -0.550 -4.028 1.00 0.00 H new ATOM 0 HZ1 LYS A 34 14.935 -1.977 -6.010 1.00 0.00 H new ATOM 0 HZ2 LYS A 34 13.497 -2.155 -5.124 1.00 0.00 H new ATOM 0 HZ3 LYS A 34 13.509 -1.225 -6.544 1.00 0.00 H new ATOM 551 N ALA A 35 11.209 4.960 -5.189 1.00 0.00 N ATOM 552 CA ALA A 35 9.920 5.421 -4.595 1.00 0.00 C ATOM 553 C ALA A 35 8.813 4.402 -4.874 1.00 0.00 C ATOM 554 O ALA A 35 8.874 3.644 -5.822 1.00 0.00 O ATOM 555 CB ALA A 35 9.611 6.749 -5.288 1.00 0.00 C ATOM 0 H ALA A 35 11.252 4.984 -6.208 1.00 0.00 H new ATOM 0 HA ALA A 35 9.985 5.533 -3.513 1.00 0.00 H new ATOM 0 HB1 ALA A 35 8.674 7.151 -4.902 1.00 0.00 H new ATOM 0 HB2 ALA A 35 10.417 7.457 -5.094 1.00 0.00 H new ATOM 0 HB3 ALA A 35 9.521 6.587 -6.362 1.00 0.00 H new ATOM 561 N GLY A 36 7.800 4.383 -4.054 1.00 0.00 N ATOM 562 CA GLY A 36 6.683 3.421 -4.262 1.00 0.00 C ATOM 563 C GLY A 36 5.667 3.597 -3.137 1.00 0.00 C ATOM 564 O GLY A 36 5.672 4.597 -2.447 1.00 0.00 O ATOM 0 H GLY A 36 7.697 4.995 -3.245 1.00 0.00 H new ATOM 0 HA2 GLY A 36 6.210 3.595 -5.228 1.00 0.00 H new ATOM 0 HA3 GLY A 36 7.062 2.399 -4.272 1.00 0.00 H new ATOM 568 N VAL A 37 4.797 2.644 -2.933 1.00 0.00 N ATOM 569 CA VAL A 37 3.803 2.796 -1.836 1.00 0.00 C ATOM 570 C VAL A 37 4.110 1.806 -0.716 1.00 0.00 C ATOM 571 O VAL A 37 4.934 0.928 -0.860 1.00 0.00 O ATOM 572 CB VAL A 37 2.449 2.480 -2.461 1.00 0.00 C ATOM 573 CG1 VAL A 37 1.347 2.804 -1.451 1.00 0.00 C ATOM 574 CG2 VAL A 37 2.243 3.325 -3.718 1.00 0.00 C ATOM 0 H VAL A 37 4.733 1.780 -3.471 1.00 0.00 H new ATOM 0 HA VAL A 37 3.823 3.797 -1.404 1.00 0.00 H new ATOM 0 HB VAL A 37 2.413 1.424 -2.730 1.00 0.00 H new ATOM 0 HG11 VAL A 37 0.374 2.581 -1.890 1.00 0.00 H new ATOM 0 HG12 VAL A 37 1.487 2.201 -0.554 1.00 0.00 H new ATOM 0 HG13 VAL A 37 1.393 3.861 -1.189 1.00 0.00 H new ATOM 0 HG21 VAL A 37 1.273 3.093 -4.158 1.00 0.00 H new ATOM 0 HG22 VAL A 37 2.278 4.382 -3.455 1.00 0.00 H new ATOM 0 HG23 VAL A 37 3.030 3.104 -4.438 1.00 0.00 H new ATOM 584 N ILE A 38 3.450 1.938 0.398 1.00 0.00 N ATOM 585 CA ILE A 38 3.698 0.996 1.525 1.00 0.00 C ATOM 586 C ILE A 38 2.381 0.333 1.921 1.00 0.00 C ATOM 587 O ILE A 38 1.431 0.998 2.271 1.00 0.00 O ATOM 588 CB ILE A 38 4.236 1.869 2.660 1.00 0.00 C ATOM 589 CG1 ILE A 38 5.636 2.368 2.292 1.00 0.00 C ATOM 590 CG2 ILE A 38 4.313 1.048 3.950 1.00 0.00 C ATOM 591 CD1 ILE A 38 5.534 3.727 1.595 1.00 0.00 C ATOM 0 H ILE A 38 2.749 2.657 0.578 1.00 0.00 H new ATOM 0 HA ILE A 38 4.399 0.201 1.272 1.00 0.00 H new ATOM 0 HB ILE A 38 3.570 2.718 2.812 1.00 0.00 H new ATOM 0 HG12 ILE A 38 6.249 2.454 3.189 1.00 0.00 H new ATOM 0 HG13 ILE A 38 6.128 1.649 1.637 1.00 0.00 H new ATOM 0 HG21 ILE A 38 4.697 1.673 4.757 1.00 0.00 H new ATOM 0 HG22 ILE A 38 3.318 0.688 4.212 1.00 0.00 H new ATOM 0 HG23 ILE A 38 4.979 0.198 3.801 1.00 0.00 H new ATOM 0 HD11 ILE A 38 6.532 4.078 1.335 1.00 0.00 H new ATOM 0 HD12 ILE A 38 4.937 3.627 0.689 1.00 0.00 H new ATOM 0 HD13 ILE A 38 5.060 4.445 2.265 1.00 0.00 H new ATOM 603 N PHE A 39 2.302 -0.971 1.859 1.00 0.00 N ATOM 604 CA PHE A 39 1.023 -1.642 2.225 1.00 0.00 C ATOM 605 C PHE A 39 1.166 -2.453 3.510 1.00 0.00 C ATOM 606 O PHE A 39 2.182 -3.071 3.765 1.00 0.00 O ATOM 607 CB PHE A 39 0.691 -2.553 1.045 1.00 0.00 C ATOM 608 CG PHE A 39 0.022 -1.738 -0.028 1.00 0.00 C ATOM 609 CD1 PHE A 39 0.766 -0.826 -0.782 1.00 0.00 C ATOM 610 CD2 PHE A 39 -1.349 -1.887 -0.264 1.00 0.00 C ATOM 611 CE1 PHE A 39 0.140 -0.064 -1.772 1.00 0.00 C ATOM 612 CE2 PHE A 39 -1.973 -1.125 -1.254 1.00 0.00 C ATOM 613 CZ PHE A 39 -1.230 -0.212 -2.009 1.00 0.00 C ATOM 0 H PHE A 39 3.059 -1.593 1.574 1.00 0.00 H new ATOM 0 HA PHE A 39 0.234 -0.914 2.414 1.00 0.00 H new ATOM 0 HB2 PHE A 39 1.600 -3.013 0.657 1.00 0.00 H new ATOM 0 HB3 PHE A 39 0.036 -3.363 1.367 1.00 0.00 H new ATOM 0 HD1 PHE A 39 1.824 -0.710 -0.600 1.00 0.00 H new ATOM 0 HD2 PHE A 39 -1.924 -2.591 0.319 1.00 0.00 H new ATOM 0 HE1 PHE A 39 0.715 0.640 -2.355 1.00 0.00 H new ATOM 0 HE2 PHE A 39 -3.031 -1.241 -1.437 1.00 0.00 H new ATOM 0 HZ PHE A 39 -1.714 0.378 -2.774 1.00 0.00 H new ATOM 623 N THR A 40 0.142 -2.456 4.316 1.00 0.00 N ATOM 624 CA THR A 40 0.186 -3.221 5.587 1.00 0.00 C ATOM 625 C THR A 40 -0.796 -4.392 5.519 1.00 0.00 C ATOM 626 O THR A 40 -1.836 -4.312 4.899 1.00 0.00 O ATOM 627 CB THR A 40 -0.242 -2.218 6.665 1.00 0.00 C ATOM 628 OG1 THR A 40 0.770 -1.235 6.824 1.00 0.00 O ATOM 629 CG2 THR A 40 -0.465 -2.944 7.996 1.00 0.00 C ATOM 0 H THR A 40 -0.730 -1.956 4.145 1.00 0.00 H new ATOM 0 HA THR A 40 1.171 -3.640 5.792 1.00 0.00 H new ATOM 0 HB THR A 40 -1.172 -1.739 6.360 1.00 0.00 H new ATOM 0 HG1 THR A 40 0.497 -0.592 7.512 1.00 0.00 H new ATOM 0 HG21 THR A 40 -0.769 -2.225 8.756 1.00 0.00 H new ATOM 0 HG22 THR A 40 -1.246 -3.695 7.875 1.00 0.00 H new ATOM 0 HG23 THR A 40 0.461 -3.430 8.305 1.00 0.00 H new ATOM 637 N THR A 41 -0.473 -5.476 6.160 1.00 0.00 N ATOM 638 CA THR A 41 -1.383 -6.650 6.149 1.00 0.00 C ATOM 639 C THR A 41 -2.176 -6.703 7.458 1.00 0.00 C ATOM 640 O THR A 41 -1.703 -6.288 8.496 1.00 0.00 O ATOM 641 CB THR A 41 -0.465 -7.863 6.034 1.00 0.00 C ATOM 642 OG1 THR A 41 0.602 -7.566 5.144 1.00 0.00 O ATOM 643 CG2 THR A 41 -1.257 -9.058 5.505 1.00 0.00 C ATOM 0 H THR A 41 0.387 -5.600 6.694 1.00 0.00 H new ATOM 0 HA THR A 41 -2.105 -6.609 5.333 1.00 0.00 H new ATOM 0 HB THR A 41 -0.061 -8.106 7.017 1.00 0.00 H new ATOM 0 HG1 THR A 41 1.193 -8.344 5.071 1.00 0.00 H new ATOM 0 HG21 THR A 41 -0.599 -9.923 5.424 1.00 0.00 H new ATOM 0 HG22 THR A 41 -2.073 -9.286 6.191 1.00 0.00 H new ATOM 0 HG23 THR A 41 -1.664 -8.818 4.523 1.00 0.00 H new ATOM 651 N LYS A 42 -3.378 -7.212 7.421 1.00 0.00 N ATOM 652 CA LYS A 42 -4.187 -7.286 8.671 1.00 0.00 C ATOM 653 C LYS A 42 -3.404 -8.025 9.761 1.00 0.00 C ATOM 654 O LYS A 42 -3.666 -7.874 10.937 1.00 0.00 O ATOM 655 CB LYS A 42 -5.445 -8.066 8.286 1.00 0.00 C ATOM 656 CG LYS A 42 -5.054 -9.434 7.722 1.00 0.00 C ATOM 657 CD LYS A 42 -6.166 -10.443 8.020 1.00 0.00 C ATOM 658 CE LYS A 42 -5.548 -11.779 8.440 1.00 0.00 C ATOM 659 NZ LYS A 42 -5.542 -11.747 9.929 1.00 0.00 N ATOM 0 H LYS A 42 -3.832 -7.578 6.584 1.00 0.00 H new ATOM 0 HA LYS A 42 -4.429 -6.300 9.067 1.00 0.00 H new ATOM 0 HB2 LYS A 42 -6.087 -8.192 9.158 1.00 0.00 H new ATOM 0 HB3 LYS A 42 -6.018 -7.508 7.546 1.00 0.00 H new ATOM 0 HG2 LYS A 42 -4.891 -9.363 6.647 1.00 0.00 H new ATOM 0 HG3 LYS A 42 -4.116 -9.768 8.166 1.00 0.00 H new ATOM 0 HD2 LYS A 42 -6.812 -10.064 8.812 1.00 0.00 H new ATOM 0 HD3 LYS A 42 -6.791 -10.581 7.138 1.00 0.00 H new ATOM 0 HE2 LYS A 42 -6.132 -12.620 8.065 1.00 0.00 H new ATOM 0 HE3 LYS A 42 -4.539 -11.890 8.043 1.00 0.00 H new ATOM 0 HZ1 LYS A 42 -5.326 -12.696 10.296 1.00 0.00 H new ATOM 0 HZ2 LYS A 42 -4.819 -11.076 10.259 1.00 0.00 H new ATOM 0 HZ3 LYS A 42 -6.476 -11.447 10.274 1.00 0.00 H new ATOM 673 N LYS A 43 -2.442 -8.822 9.377 1.00 0.00 N ATOM 674 CA LYS A 43 -1.642 -9.567 10.391 1.00 0.00 C ATOM 675 C LYS A 43 -0.776 -8.598 11.200 1.00 0.00 C ATOM 676 O LYS A 43 -0.338 -8.903 12.290 1.00 0.00 O ATOM 677 CB LYS A 43 -0.760 -10.516 9.576 1.00 0.00 C ATOM 678 CG LYS A 43 -1.608 -11.666 9.027 1.00 0.00 C ATOM 679 CD LYS A 43 -1.234 -12.964 9.747 1.00 0.00 C ATOM 680 CE LYS A 43 -2.504 -13.649 10.258 1.00 0.00 C ATOM 681 NZ LYS A 43 -2.250 -15.106 10.085 1.00 0.00 N ATOM 0 H LYS A 43 -2.176 -8.989 8.406 1.00 0.00 H new ATOM 0 HA LYS A 43 -2.272 -10.100 11.103 1.00 0.00 H new ATOM 0 HB2 LYS A 43 -0.289 -9.975 8.755 1.00 0.00 H new ATOM 0 HB3 LYS A 43 0.042 -10.909 10.201 1.00 0.00 H new ATOM 0 HG2 LYS A 43 -2.667 -11.451 9.169 1.00 0.00 H new ATOM 0 HG3 LYS A 43 -1.445 -11.772 7.955 1.00 0.00 H new ATOM 0 HD2 LYS A 43 -0.698 -13.627 9.068 1.00 0.00 H new ATOM 0 HD3 LYS A 43 -0.563 -12.750 10.579 1.00 0.00 H new ATOM 0 HE2 LYS A 43 -2.693 -13.402 11.303 1.00 0.00 H new ATOM 0 HE3 LYS A 43 -3.380 -13.331 9.692 1.00 0.00 H new ATOM 0 HZ1 LYS A 43 -3.077 -15.644 10.414 1.00 0.00 H new ATOM 0 HZ2 LYS A 43 -2.080 -15.312 9.080 1.00 0.00 H new ATOM 0 HZ3 LYS A 43 -1.415 -15.381 10.641 1.00 0.00 H new ATOM 695 N GLY A 44 -0.525 -7.430 10.671 1.00 0.00 N ATOM 696 CA GLY A 44 0.312 -6.444 11.406 1.00 0.00 C ATOM 697 C GLY A 44 1.635 -6.216 10.661 1.00 0.00 C ATOM 698 O GLY A 44 2.493 -5.487 11.120 1.00 0.00 O ATOM 0 H GLY A 44 -0.865 -7.118 9.761 1.00 0.00 H new ATOM 0 HA2 GLY A 44 -0.226 -5.501 11.505 1.00 0.00 H new ATOM 0 HA3 GLY A 44 0.511 -6.805 12.415 1.00 0.00 H new ATOM 702 N GLN A 45 1.813 -6.825 9.517 1.00 0.00 N ATOM 703 CA GLN A 45 3.083 -6.632 8.760 1.00 0.00 C ATOM 704 C GLN A 45 3.043 -5.306 7.997 1.00 0.00 C ATOM 705 O GLN A 45 2.046 -4.613 7.987 1.00 0.00 O ATOM 706 CB GLN A 45 3.141 -7.809 7.785 1.00 0.00 C ATOM 707 CG GLN A 45 4.350 -8.685 8.114 1.00 0.00 C ATOM 708 CD GLN A 45 4.036 -10.140 7.760 1.00 0.00 C ATOM 709 OE1 GLN A 45 3.977 -10.989 8.629 1.00 0.00 O ATOM 710 NE2 GLN A 45 3.830 -10.466 6.515 1.00 0.00 N ATOM 0 H GLN A 45 1.135 -7.446 9.076 1.00 0.00 H new ATOM 0 HA GLN A 45 3.955 -6.598 9.413 1.00 0.00 H new ATOM 0 HB2 GLN A 45 2.225 -8.396 7.852 1.00 0.00 H new ATOM 0 HB3 GLN A 45 3.212 -7.443 6.761 1.00 0.00 H new ATOM 0 HG2 GLN A 45 5.222 -8.344 7.557 1.00 0.00 H new ATOM 0 HG3 GLN A 45 4.596 -8.602 9.173 1.00 0.00 H new ATOM 0 HE21 GLN A 45 3.880 -9.754 5.786 1.00 0.00 H new ATOM 0 HE22 GLN A 45 3.619 -11.433 6.269 1.00 0.00 H new ATOM 719 N GLN A 46 4.121 -4.947 7.357 1.00 0.00 N ATOM 720 CA GLN A 46 4.140 -3.667 6.593 1.00 0.00 C ATOM 721 C GLN A 46 5.266 -3.691 5.557 1.00 0.00 C ATOM 722 O GLN A 46 6.421 -3.499 5.876 1.00 0.00 O ATOM 723 CB GLN A 46 4.398 -2.581 7.640 1.00 0.00 C ATOM 724 CG GLN A 46 3.347 -1.478 7.502 1.00 0.00 C ATOM 725 CD GLN A 46 4.001 -0.114 7.731 1.00 0.00 C ATOM 726 OE1 GLN A 46 4.960 0.230 7.070 1.00 0.00 O ATOM 727 NE2 GLN A 46 3.521 0.682 8.647 1.00 0.00 N ATOM 0 H GLN A 46 4.988 -5.483 7.330 1.00 0.00 H new ATOM 0 HA GLN A 46 3.210 -3.495 6.051 1.00 0.00 H new ATOM 0 HB2 GLN A 46 4.361 -3.010 8.641 1.00 0.00 H new ATOM 0 HB3 GLN A 46 5.397 -2.165 7.509 1.00 0.00 H new ATOM 0 HG2 GLN A 46 2.895 -1.514 6.511 1.00 0.00 H new ATOM 0 HG3 GLN A 46 2.545 -1.634 8.224 1.00 0.00 H new ATOM 0 HE21 GLN A 46 2.716 0.393 9.202 1.00 0.00 H new ATOM 0 HE22 GLN A 46 3.951 1.593 8.808 1.00 0.00 H new ATOM 736 N SER A 47 4.936 -3.934 4.319 1.00 0.00 N ATOM 737 CA SER A 47 5.989 -3.975 3.264 1.00 0.00 C ATOM 738 C SER A 47 5.798 -2.816 2.285 1.00 0.00 C ATOM 739 O SER A 47 4.881 -2.029 2.411 1.00 0.00 O ATOM 740 CB SER A 47 5.790 -5.316 2.559 1.00 0.00 C ATOM 741 OG SER A 47 5.627 -6.339 3.532 1.00 0.00 O ATOM 0 H SER A 47 3.985 -4.106 3.992 1.00 0.00 H new ATOM 0 HA SER A 47 6.994 -3.879 3.676 1.00 0.00 H new ATOM 0 HB2 SER A 47 4.915 -5.272 1.910 1.00 0.00 H new ATOM 0 HB3 SER A 47 6.647 -5.536 1.923 1.00 0.00 H new ATOM 0 HG SER A 47 5.497 -7.200 3.083 1.00 0.00 H new ATOM 747 N CYS A 48 6.657 -2.700 1.311 1.00 0.00 N ATOM 748 CA CYS A 48 6.520 -1.589 0.331 1.00 0.00 C ATOM 749 C CYS A 48 5.879 -2.095 -0.963 1.00 0.00 C ATOM 750 O CYS A 48 6.385 -2.995 -1.604 1.00 0.00 O ATOM 751 CB CYS A 48 7.945 -1.106 0.067 1.00 0.00 C ATOM 752 SG CYS A 48 7.893 0.582 -0.587 1.00 0.00 S ATOM 0 H CYS A 48 7.447 -3.326 1.152 1.00 0.00 H new ATOM 0 HA CYS A 48 5.883 -0.789 0.709 1.00 0.00 H new ATOM 0 HB2 CYS A 48 8.527 -1.134 0.988 1.00 0.00 H new ATOM 0 HB3 CYS A 48 8.440 -1.768 -0.643 1.00 0.00 H new ATOM 757 N GLY A 49 4.781 -1.515 -1.362 1.00 0.00 N ATOM 758 CA GLY A 49 4.128 -1.958 -2.621 1.00 0.00 C ATOM 759 C GLY A 49 4.715 -1.162 -3.775 1.00 0.00 C ATOM 760 O GLY A 49 4.964 0.023 -3.666 1.00 0.00 O ATOM 0 H GLY A 49 4.310 -0.755 -0.871 1.00 0.00 H new ATOM 0 HA2 GLY A 49 4.289 -3.025 -2.776 1.00 0.00 H new ATOM 0 HA3 GLY A 49 3.051 -1.803 -2.564 1.00 0.00 H new ATOM 764 N ASP A 50 4.938 -1.801 -4.878 1.00 0.00 N ATOM 765 CA ASP A 50 5.517 -1.083 -6.047 1.00 0.00 C ATOM 766 C ASP A 50 4.388 -0.492 -6.905 1.00 0.00 C ATOM 767 O ASP A 50 3.458 -1.188 -7.264 1.00 0.00 O ATOM 768 CB ASP A 50 6.298 -2.152 -6.813 1.00 0.00 C ATOM 769 CG ASP A 50 7.078 -1.502 -7.956 1.00 0.00 C ATOM 770 OD1 ASP A 50 6.552 -0.581 -8.559 1.00 0.00 O ATOM 771 OD2 ASP A 50 8.191 -1.936 -8.209 1.00 0.00 O ATOM 0 H ASP A 50 4.746 -2.792 -5.027 1.00 0.00 H new ATOM 0 HA ASP A 50 6.158 -0.250 -5.760 1.00 0.00 H new ATOM 0 HB2 ASP A 50 6.983 -2.668 -6.140 1.00 0.00 H new ATOM 0 HB3 ASP A 50 5.614 -2.903 -7.208 1.00 0.00 H new ATOM 776 N PRO A 51 4.495 0.783 -7.205 1.00 0.00 N ATOM 777 CA PRO A 51 3.455 1.459 -8.020 1.00 0.00 C ATOM 778 C PRO A 51 3.484 0.931 -9.454 1.00 0.00 C ATOM 779 O PRO A 51 2.509 1.006 -10.174 1.00 0.00 O ATOM 780 CB PRO A 51 3.845 2.936 -7.955 1.00 0.00 C ATOM 781 CG PRO A 51 5.310 2.932 -7.658 1.00 0.00 C ATOM 782 CD PRO A 51 5.579 1.703 -6.832 1.00 0.00 C ATOM 0 HA PRO A 51 2.441 1.287 -7.659 1.00 0.00 H new ATOM 0 HB2 PRO A 51 3.634 3.443 -8.897 1.00 0.00 H new ATOM 0 HB3 PRO A 51 3.286 3.459 -7.179 1.00 0.00 H new ATOM 0 HG2 PRO A 51 5.892 2.914 -8.580 1.00 0.00 H new ATOM 0 HG3 PRO A 51 5.598 3.833 -7.117 1.00 0.00 H new ATOM 0 HD2 PRO A 51 6.558 1.278 -7.055 1.00 0.00 H new ATOM 0 HD3 PRO A 51 5.564 1.927 -5.765 1.00 0.00 H new ATOM 790 N LYS A 52 4.592 0.382 -9.867 1.00 0.00 N ATOM 791 CA LYS A 52 4.676 -0.169 -11.246 1.00 0.00 C ATOM 792 C LYS A 52 3.811 -1.426 -11.343 1.00 0.00 C ATOM 793 O LYS A 52 3.334 -1.787 -12.401 1.00 0.00 O ATOM 794 CB LYS A 52 6.152 -0.513 -11.445 1.00 0.00 C ATOM 795 CG LYS A 52 6.989 0.764 -11.349 1.00 0.00 C ATOM 796 CD LYS A 52 8.296 0.578 -12.122 1.00 0.00 C ATOM 797 CE LYS A 52 8.065 0.898 -13.600 1.00 0.00 C ATOM 798 NZ LYS A 52 9.057 1.963 -13.922 1.00 0.00 N ATOM 0 H LYS A 52 5.441 0.292 -9.309 1.00 0.00 H new ATOM 0 HA LYS A 52 4.321 0.530 -12.004 1.00 0.00 H new ATOM 0 HB2 LYS A 52 6.475 -1.230 -10.690 1.00 0.00 H new ATOM 0 HB3 LYS A 52 6.299 -0.985 -12.416 1.00 0.00 H new ATOM 0 HG2 LYS A 52 6.431 1.608 -11.755 1.00 0.00 H new ATOM 0 HG3 LYS A 52 7.201 0.994 -10.305 1.00 0.00 H new ATOM 0 HD2 LYS A 52 9.068 1.230 -11.714 1.00 0.00 H new ATOM 0 HD3 LYS A 52 8.653 -0.446 -12.012 1.00 0.00 H new ATOM 0 HE2 LYS A 52 8.216 0.016 -14.223 1.00 0.00 H new ATOM 0 HE3 LYS A 52 7.046 1.242 -13.775 1.00 0.00 H new ATOM 0 HZ1 LYS A 52 8.961 2.236 -14.921 1.00 0.00 H new ATOM 0 HZ2 LYS A 52 8.885 2.792 -13.318 1.00 0.00 H new ATOM 0 HZ3 LYS A 52 10.018 1.605 -13.752 1.00 0.00 H new ATOM 812 N GLN A 53 3.598 -2.090 -10.237 1.00 0.00 N ATOM 813 CA GLN A 53 2.755 -3.320 -10.252 1.00 0.00 C ATOM 814 C GLN A 53 1.280 -2.931 -10.353 1.00 0.00 C ATOM 815 O GLN A 53 0.910 -1.799 -10.117 1.00 0.00 O ATOM 816 CB GLN A 53 3.041 -4.019 -8.923 1.00 0.00 C ATOM 817 CG GLN A 53 4.531 -4.355 -8.831 1.00 0.00 C ATOM 818 CD GLN A 53 4.855 -5.505 -9.788 1.00 0.00 C ATOM 819 OE1 GLN A 53 4.720 -5.369 -10.987 1.00 0.00 O ATOM 820 NE2 GLN A 53 5.281 -6.639 -9.303 1.00 0.00 N ATOM 0 H GLN A 53 3.972 -1.833 -9.324 1.00 0.00 H new ATOM 0 HA GLN A 53 2.976 -3.968 -11.100 1.00 0.00 H new ATOM 0 HB2 GLN A 53 2.751 -3.376 -8.092 1.00 0.00 H new ATOM 0 HB3 GLN A 53 2.447 -4.929 -8.844 1.00 0.00 H new ATOM 0 HG2 GLN A 53 5.128 -3.479 -9.083 1.00 0.00 H new ATOM 0 HG3 GLN A 53 4.789 -4.634 -7.809 1.00 0.00 H new ATOM 0 HE21 GLN A 53 5.394 -6.752 -8.296 1.00 0.00 H new ATOM 0 HE22 GLN A 53 5.501 -7.412 -9.931 1.00 0.00 H new ATOM 829 N GLU A 54 0.435 -3.854 -10.716 1.00 0.00 N ATOM 830 CA GLU A 54 -1.012 -3.523 -10.847 1.00 0.00 C ATOM 831 C GLU A 54 -1.772 -3.775 -9.539 1.00 0.00 C ATOM 832 O GLU A 54 -2.897 -3.345 -9.393 1.00 0.00 O ATOM 833 CB GLU A 54 -1.527 -4.445 -11.951 1.00 0.00 C ATOM 834 CG GLU A 54 -2.549 -3.693 -12.807 1.00 0.00 C ATOM 835 CD GLU A 54 -3.925 -3.773 -12.142 1.00 0.00 C ATOM 836 OE1 GLU A 54 -4.332 -4.867 -11.794 1.00 0.00 O ATOM 837 OE2 GLU A 54 -4.548 -2.734 -11.994 1.00 0.00 O ATOM 0 H GLU A 54 0.682 -4.821 -10.927 1.00 0.00 H new ATOM 0 HA GLU A 54 -1.159 -2.468 -11.079 1.00 0.00 H new ATOM 0 HB2 GLU A 54 -0.698 -4.786 -12.571 1.00 0.00 H new ATOM 0 HB3 GLU A 54 -1.985 -5.333 -11.514 1.00 0.00 H new ATOM 0 HG2 GLU A 54 -2.248 -2.652 -12.922 1.00 0.00 H new ATOM 0 HG3 GLU A 54 -2.590 -4.125 -13.807 1.00 0.00 H new ATOM 844 N TRP A 55 -1.190 -4.461 -8.585 1.00 0.00 N ATOM 845 CA TRP A 55 -1.933 -4.703 -7.316 1.00 0.00 C ATOM 846 C TRP A 55 -1.885 -3.459 -6.429 1.00 0.00 C ATOM 847 O TRP A 55 -2.869 -3.107 -5.811 1.00 0.00 O ATOM 848 CB TRP A 55 -1.270 -5.918 -6.660 1.00 0.00 C ATOM 849 CG TRP A 55 0.120 -5.606 -6.217 1.00 0.00 C ATOM 850 CD1 TRP A 55 1.235 -5.798 -6.960 1.00 0.00 C ATOM 851 CD2 TRP A 55 0.570 -5.085 -4.934 1.00 0.00 C ATOM 852 NE1 TRP A 55 2.337 -5.426 -6.210 1.00 0.00 N ATOM 853 CE2 TRP A 55 1.978 -4.982 -4.961 1.00 0.00 C ATOM 854 CE3 TRP A 55 -0.099 -4.691 -3.761 1.00 0.00 C ATOM 855 CZ2 TRP A 55 2.698 -4.516 -3.871 1.00 0.00 C ATOM 856 CZ3 TRP A 55 0.626 -4.215 -2.656 1.00 0.00 C ATOM 857 CH2 TRP A 55 2.025 -4.131 -2.710 1.00 0.00 C ATOM 0 H TRP A 55 -0.251 -4.856 -8.630 1.00 0.00 H new ATOM 0 HA TRP A 55 -2.990 -4.904 -7.488 1.00 0.00 H new ATOM 0 HB2 TRP A 55 -1.863 -6.240 -5.804 1.00 0.00 H new ATOM 0 HB3 TRP A 55 -1.251 -6.749 -7.365 1.00 0.00 H new ATOM 0 HD1 TRP A 55 1.260 -6.178 -7.970 1.00 0.00 H new ATOM 0 HE1 TRP A 55 3.299 -5.476 -6.544 1.00 0.00 H new ATOM 0 HE3 TRP A 55 -1.176 -4.755 -3.710 1.00 0.00 H new ATOM 0 HZ2 TRP A 55 3.775 -4.451 -3.920 1.00 0.00 H new ATOM 0 HZ3 TRP A 55 0.104 -3.912 -1.761 1.00 0.00 H new ATOM 0 HH2 TRP A 55 2.580 -3.770 -1.857 1.00 0.00 H new ATOM 868 N VAL A 56 -0.779 -2.754 -6.389 1.00 0.00 N ATOM 869 CA VAL A 56 -0.767 -1.512 -5.568 1.00 0.00 C ATOM 870 C VAL A 56 -1.760 -0.543 -6.202 1.00 0.00 C ATOM 871 O VAL A 56 -2.520 0.127 -5.532 1.00 0.00 O ATOM 872 CB VAL A 56 0.652 -0.936 -5.635 1.00 0.00 C ATOM 873 CG1 VAL A 56 0.707 0.315 -4.759 1.00 0.00 C ATOM 874 CG2 VAL A 56 1.666 -1.949 -5.108 1.00 0.00 C ATOM 0 H VAL A 56 0.089 -2.979 -6.875 1.00 0.00 H new ATOM 0 HA VAL A 56 -1.041 -1.694 -4.529 1.00 0.00 H new ATOM 0 HB VAL A 56 0.895 -0.699 -6.671 1.00 0.00 H new ATOM 0 HG11 VAL A 56 1.710 0.740 -4.794 1.00 0.00 H new ATOM 0 HG12 VAL A 56 -0.011 1.048 -5.127 1.00 0.00 H new ATOM 0 HG13 VAL A 56 0.461 0.050 -3.731 1.00 0.00 H new ATOM 0 HG21 VAL A 56 2.668 -1.523 -5.163 1.00 0.00 H new ATOM 0 HG22 VAL A 56 1.432 -2.193 -4.072 1.00 0.00 H new ATOM 0 HG23 VAL A 56 1.623 -2.855 -5.713 1.00 0.00 H new ATOM 884 N GLN A 57 -1.768 -0.496 -7.508 1.00 0.00 N ATOM 885 CA GLN A 57 -2.720 0.391 -8.227 1.00 0.00 C ATOM 886 C GLN A 57 -4.132 -0.177 -8.084 1.00 0.00 C ATOM 887 O GLN A 57 -5.059 0.512 -7.709 1.00 0.00 O ATOM 888 CB GLN A 57 -2.266 0.349 -9.689 1.00 0.00 C ATOM 889 CG GLN A 57 -2.185 1.775 -10.239 1.00 0.00 C ATOM 890 CD GLN A 57 -3.315 1.996 -11.244 1.00 0.00 C ATOM 891 OE1 GLN A 57 -3.763 1.069 -11.889 1.00 0.00 O ATOM 892 NE2 GLN A 57 -3.799 3.197 -11.408 1.00 0.00 N ATOM 0 H GLN A 57 -1.149 -1.040 -8.110 1.00 0.00 H new ATOM 0 HA GLN A 57 -2.733 1.410 -7.841 1.00 0.00 H new ATOM 0 HB2 GLN A 57 -1.294 -0.137 -9.765 1.00 0.00 H new ATOM 0 HB3 GLN A 57 -2.965 -0.242 -10.281 1.00 0.00 H new ATOM 0 HG2 GLN A 57 -2.261 2.496 -9.425 1.00 0.00 H new ATOM 0 HG3 GLN A 57 -1.220 1.937 -10.719 1.00 0.00 H new ATOM 0 HE21 GLN A 57 -3.424 3.976 -10.867 1.00 0.00 H new ATOM 0 HE22 GLN A 57 -4.552 3.356 -12.077 1.00 0.00 H new ATOM 901 N ARG A 58 -4.291 -1.445 -8.358 1.00 0.00 N ATOM 902 CA ARG A 58 -5.630 -2.079 -8.213 1.00 0.00 C ATOM 903 C ARG A 58 -6.116 -1.872 -6.781 1.00 0.00 C ATOM 904 O ARG A 58 -7.295 -1.748 -6.517 1.00 0.00 O ATOM 905 CB ARG A 58 -5.390 -3.564 -8.501 1.00 0.00 C ATOM 906 CG ARG A 58 -6.642 -4.373 -8.163 1.00 0.00 C ATOM 907 CD ARG A 58 -6.301 -5.438 -7.116 1.00 0.00 C ATOM 908 NE ARG A 58 -6.359 -6.731 -7.851 1.00 0.00 N ATOM 909 CZ ARG A 58 -5.474 -7.000 -8.771 1.00 0.00 C ATOM 910 NH1 ARG A 58 -4.204 -7.014 -8.471 1.00 0.00 N ATOM 911 NH2 ARG A 58 -5.857 -7.256 -9.992 1.00 0.00 N ATOM 0 H ARG A 58 -3.549 -2.068 -8.676 1.00 0.00 H new ATOM 0 HA ARG A 58 -6.384 -1.662 -8.880 1.00 0.00 H new ATOM 0 HB2 ARG A 58 -5.131 -3.702 -9.551 1.00 0.00 H new ATOM 0 HB3 ARG A 58 -4.545 -3.924 -7.914 1.00 0.00 H new ATOM 0 HG2 ARG A 58 -7.422 -3.713 -7.784 1.00 0.00 H new ATOM 0 HG3 ARG A 58 -7.035 -4.846 -9.063 1.00 0.00 H new ATOM 0 HD2 ARG A 58 -5.312 -5.270 -6.690 1.00 0.00 H new ATOM 0 HD3 ARG A 58 -7.012 -5.421 -6.290 1.00 0.00 H new ATOM 0 HE ARG A 58 -7.091 -7.407 -7.635 1.00 0.00 H new ATOM 0 HH11 ARG A 58 -3.903 -6.815 -7.517 1.00 0.00 H new ATOM 0 HH12 ARG A 58 -3.512 -7.224 -9.191 1.00 0.00 H new ATOM 0 HH21 ARG A 58 -6.849 -7.246 -10.228 1.00 0.00 H new ATOM 0 HH22 ARG A 58 -5.164 -7.466 -10.710 1.00 0.00 H new ATOM 925 N TYR A 59 -5.198 -1.822 -5.856 1.00 0.00 N ATOM 926 CA TYR A 59 -5.573 -1.604 -4.436 1.00 0.00 C ATOM 927 C TYR A 59 -5.913 -0.129 -4.221 1.00 0.00 C ATOM 928 O TYR A 59 -7.006 0.218 -3.817 1.00 0.00 O ATOM 929 CB TYR A 59 -4.323 -1.978 -3.636 1.00 0.00 C ATOM 930 CG TYR A 59 -4.166 -3.485 -3.508 1.00 0.00 C ATOM 931 CD1 TYR A 59 -4.859 -4.366 -4.358 1.00 0.00 C ATOM 932 CD2 TYR A 59 -3.317 -4.001 -2.519 1.00 0.00 C ATOM 933 CE1 TYR A 59 -4.697 -5.749 -4.211 1.00 0.00 C ATOM 934 CE2 TYR A 59 -3.159 -5.383 -2.375 1.00 0.00 C ATOM 935 CZ TYR A 59 -3.851 -6.255 -3.221 1.00 0.00 C ATOM 936 OH TYR A 59 -3.704 -7.616 -3.077 1.00 0.00 O ATOM 0 H TYR A 59 -4.198 -1.924 -6.027 1.00 0.00 H new ATOM 0 HA TYR A 59 -6.441 -2.192 -4.136 1.00 0.00 H new ATOM 0 HB2 TYR A 59 -3.441 -1.560 -4.122 1.00 0.00 H new ATOM 0 HB3 TYR A 59 -4.380 -1.533 -2.643 1.00 0.00 H new ATOM 0 HD1 TYR A 59 -5.515 -3.976 -5.123 1.00 0.00 H new ATOM 0 HD2 TYR A 59 -2.782 -3.328 -1.865 1.00 0.00 H new ATOM 0 HE1 TYR A 59 -5.227 -6.426 -4.864 1.00 0.00 H new ATOM 0 HE2 TYR A 59 -2.504 -5.776 -1.612 1.00 0.00 H new ATOM 0 HH TYR A 59 -2.816 -7.884 -3.393 1.00 0.00 H new ATOM 946 N MET A 60 -4.977 0.739 -4.494 1.00 0.00 N ATOM 947 CA MET A 60 -5.225 2.200 -4.318 1.00 0.00 C ATOM 948 C MET A 60 -6.556 2.597 -4.964 1.00 0.00 C ATOM 949 O MET A 60 -7.280 3.432 -4.459 1.00 0.00 O ATOM 950 CB MET A 60 -4.063 2.888 -5.025 1.00 0.00 C ATOM 951 CG MET A 60 -3.384 3.856 -4.058 1.00 0.00 C ATOM 952 SD MET A 60 -1.664 4.079 -4.547 1.00 0.00 S ATOM 953 CE MET A 60 -1.087 2.517 -3.855 1.00 0.00 C ATOM 0 H MET A 60 -4.046 0.498 -4.833 1.00 0.00 H new ATOM 0 HA MET A 60 -5.287 2.481 -3.267 1.00 0.00 H new ATOM 0 HB2 MET A 60 -3.347 2.146 -5.378 1.00 0.00 H new ATOM 0 HB3 MET A 60 -4.423 3.425 -5.902 1.00 0.00 H new ATOM 0 HG2 MET A 60 -3.902 4.815 -4.062 1.00 0.00 H new ATOM 0 HG3 MET A 60 -3.437 3.469 -3.041 1.00 0.00 H new ATOM 0 HE1 MET A 60 0.003 2.506 -3.840 1.00 0.00 H new ATOM 0 HE2 MET A 60 -1.465 2.408 -2.839 1.00 0.00 H new ATOM 0 HE3 MET A 60 -1.449 1.692 -4.468 1.00 0.00 H new ATOM 963 N LYS A 61 -6.888 1.995 -6.075 1.00 0.00 N ATOM 964 CA LYS A 61 -8.176 2.331 -6.747 1.00 0.00 C ATOM 965 C LYS A 61 -9.342 2.061 -5.794 1.00 0.00 C ATOM 966 O LYS A 61 -10.248 2.861 -5.665 1.00 0.00 O ATOM 967 CB LYS A 61 -8.244 1.401 -7.960 1.00 0.00 C ATOM 968 CG LYS A 61 -9.459 1.764 -8.815 1.00 0.00 C ATOM 969 CD LYS A 61 -9.089 2.900 -9.772 1.00 0.00 C ATOM 970 CE LYS A 61 -8.508 2.316 -11.061 1.00 0.00 C ATOM 971 NZ LYS A 61 -7.073 2.715 -11.052 1.00 0.00 N ATOM 0 H LYS A 61 -6.324 1.287 -6.545 1.00 0.00 H new ATOM 0 HA LYS A 61 -8.235 3.380 -7.039 1.00 0.00 H new ATOM 0 HB2 LYS A 61 -7.332 1.489 -8.550 1.00 0.00 H new ATOM 0 HB3 LYS A 61 -8.313 0.364 -7.633 1.00 0.00 H new ATOM 0 HG2 LYS A 61 -9.793 0.893 -9.379 1.00 0.00 H new ATOM 0 HG3 LYS A 61 -10.289 2.068 -8.177 1.00 0.00 H new ATOM 0 HD2 LYS A 61 -9.970 3.501 -9.998 1.00 0.00 H new ATOM 0 HD3 LYS A 61 -8.363 3.563 -9.302 1.00 0.00 H new ATOM 0 HE2 LYS A 61 -8.616 1.232 -11.087 1.00 0.00 H new ATOM 0 HE3 LYS A 61 -9.021 2.709 -11.939 1.00 0.00 H new ATOM 0 HZ1 LYS A 61 -6.504 1.974 -11.509 1.00 0.00 H new ATOM 0 HZ2 LYS A 61 -6.958 3.609 -11.571 1.00 0.00 H new ATOM 0 HZ3 LYS A 61 -6.754 2.841 -10.070 1.00 0.00 H new ATOM 985 N ASN A 62 -9.322 0.944 -5.120 1.00 0.00 N ATOM 986 CA ASN A 62 -10.425 0.627 -4.170 1.00 0.00 C ATOM 987 C ASN A 62 -10.218 1.396 -2.864 1.00 0.00 C ATOM 988 O ASN A 62 -11.156 1.857 -2.244 1.00 0.00 O ATOM 989 CB ASN A 62 -10.324 -0.879 -3.931 1.00 0.00 C ATOM 990 CG ASN A 62 -11.687 -1.420 -3.498 1.00 0.00 C ATOM 991 OD1 ASN A 62 -12.583 -1.561 -4.307 1.00 0.00 O ATOM 992 ND2 ASN A 62 -11.885 -1.734 -2.247 1.00 0.00 N ATOM 0 H ASN A 62 -8.589 0.237 -5.186 1.00 0.00 H new ATOM 0 HA ASN A 62 -11.404 0.908 -4.557 1.00 0.00 H new ATOM 0 HB2 ASN A 62 -9.994 -1.381 -4.841 1.00 0.00 H new ATOM 0 HB3 ASN A 62 -9.578 -1.087 -3.164 1.00 0.00 H new ATOM 0 HD21 ASN A 62 -12.791 -2.097 -1.949 1.00 0.00 H new ATOM 0 HD22 ASN A 62 -11.134 -1.616 -1.567 1.00 0.00 H new ATOM 999 N LEU A 63 -8.990 1.543 -2.448 1.00 0.00 N ATOM 1000 CA LEU A 63 -8.711 2.284 -1.188 1.00 0.00 C ATOM 1001 C LEU A 63 -9.148 3.744 -1.331 1.00 0.00 C ATOM 1002 O LEU A 63 -9.568 4.375 -0.381 1.00 0.00 O ATOM 1003 CB LEU A 63 -7.197 2.189 -1.006 1.00 0.00 C ATOM 1004 CG LEU A 63 -6.859 0.922 -0.226 1.00 0.00 C ATOM 1005 CD1 LEU A 63 -5.637 0.246 -0.849 1.00 0.00 C ATOM 1006 CD2 LEU A 63 -6.558 1.284 1.229 1.00 0.00 C ATOM 0 H LEU A 63 -8.167 1.180 -2.929 1.00 0.00 H new ATOM 0 HA LEU A 63 -9.250 1.874 -0.334 1.00 0.00 H new ATOM 0 HB2 LEU A 63 -6.703 2.174 -1.978 1.00 0.00 H new ATOM 0 HB3 LEU A 63 -6.828 3.066 -0.474 1.00 0.00 H new ATOM 0 HG LEU A 63 -7.707 0.238 -0.262 1.00 0.00 H new ATOM 0 HD11 LEU A 63 -5.397 -0.659 -0.290 1.00 0.00 H new ATOM 0 HD12 LEU A 63 -5.854 -0.014 -1.885 1.00 0.00 H new ATOM 0 HD13 LEU A 63 -4.788 0.928 -0.816 1.00 0.00 H new ATOM 0 HD21 LEU A 63 -6.317 0.379 1.787 1.00 0.00 H new ATOM 0 HD22 LEU A 63 -5.711 1.970 1.266 1.00 0.00 H new ATOM 0 HD23 LEU A 63 -7.431 1.762 1.673 1.00 0.00 H new ATOM 1018 N ASP A 64 -9.052 4.283 -2.513 1.00 0.00 N ATOM 1019 CA ASP A 64 -9.463 5.702 -2.725 1.00 0.00 C ATOM 1020 C ASP A 64 -10.988 5.830 -2.652 1.00 0.00 C ATOM 1021 O ASP A 64 -11.519 6.903 -2.447 1.00 0.00 O ATOM 1022 CB ASP A 64 -8.961 6.051 -4.126 1.00 0.00 C ATOM 1023 CG ASP A 64 -7.651 6.836 -4.018 1.00 0.00 C ATOM 1024 OD1 ASP A 64 -6.644 6.225 -3.704 1.00 0.00 O ATOM 1025 OD2 ASP A 64 -7.679 8.032 -4.252 1.00 0.00 O ATOM 0 H ASP A 64 -8.706 3.803 -3.344 1.00 0.00 H new ATOM 0 HA ASP A 64 -9.054 6.369 -1.966 1.00 0.00 H new ATOM 0 HB2 ASP A 64 -8.805 5.141 -4.705 1.00 0.00 H new ATOM 0 HB3 ASP A 64 -9.709 6.642 -4.655 1.00 0.00 H new ATOM 1030 N ALA A 65 -11.695 4.746 -2.819 1.00 0.00 N ATOM 1031 CA ALA A 65 -13.184 4.811 -2.758 1.00 0.00 C ATOM 1032 C ALA A 65 -13.674 4.740 -1.305 1.00 0.00 C ATOM 1033 O ALA A 65 -14.858 4.802 -1.040 1.00 0.00 O ATOM 1034 CB ALA A 65 -13.663 3.589 -3.541 1.00 0.00 C ATOM 0 H ALA A 65 -11.307 3.819 -2.995 1.00 0.00 H new ATOM 0 HA ALA A 65 -13.568 5.744 -3.171 1.00 0.00 H new ATOM 0 HB1 ALA A 65 -14.753 3.563 -3.544 1.00 0.00 H new ATOM 0 HB2 ALA A 65 -13.299 3.648 -4.567 1.00 0.00 H new ATOM 0 HB3 ALA A 65 -13.280 2.683 -3.072 1.00 0.00 H new ATOM 1040 N LYS A 66 -12.779 4.612 -0.360 1.00 0.00 N ATOM 1041 CA LYS A 66 -13.210 4.538 1.066 1.00 0.00 C ATOM 1042 C LYS A 66 -12.774 5.799 1.815 1.00 0.00 C ATOM 1043 O LYS A 66 -13.380 6.191 2.793 1.00 0.00 O ATOM 1044 CB LYS A 66 -12.502 3.306 1.629 1.00 0.00 C ATOM 1045 CG LYS A 66 -13.008 3.029 3.046 1.00 0.00 C ATOM 1046 CD LYS A 66 -14.494 2.671 2.997 1.00 0.00 C ATOM 1047 CE LYS A 66 -14.761 1.470 3.905 1.00 0.00 C ATOM 1048 NZ LYS A 66 -15.203 0.385 2.986 1.00 0.00 N ATOM 0 H LYS A 66 -11.772 4.556 -0.514 1.00 0.00 H new ATOM 0 HA LYS A 66 -14.293 4.467 1.169 1.00 0.00 H new ATOM 0 HB2 LYS A 66 -12.688 2.443 0.990 1.00 0.00 H new ATOM 0 HB3 LYS A 66 -11.424 3.467 1.641 1.00 0.00 H new ATOM 0 HG2 LYS A 66 -12.441 2.212 3.493 1.00 0.00 H new ATOM 0 HG3 LYS A 66 -12.855 3.905 3.676 1.00 0.00 H new ATOM 0 HD2 LYS A 66 -15.095 3.523 3.317 1.00 0.00 H new ATOM 0 HD3 LYS A 66 -14.789 2.439 1.974 1.00 0.00 H new ATOM 0 HE2 LYS A 66 -13.864 1.182 4.453 1.00 0.00 H new ATOM 0 HE3 LYS A 66 -15.528 1.697 4.645 1.00 0.00 H new ATOM 0 HZ1 LYS A 66 -15.406 -0.474 3.536 1.00 0.00 H new ATOM 0 HZ2 LYS A 66 -16.062 0.685 2.483 1.00 0.00 H new ATOM 0 HZ3 LYS A 66 -14.450 0.186 2.297 1.00 0.00 H new ATOM 1062 N GLN A 67 -11.727 6.434 1.368 1.00 0.00 N ATOM 1063 CA GLN A 67 -11.253 7.668 2.058 1.00 0.00 C ATOM 1064 C GLN A 67 -11.639 8.910 1.251 1.00 0.00 C ATOM 1065 O GLN A 67 -12.340 9.779 1.730 1.00 0.00 O ATOM 1066 CB GLN A 67 -9.732 7.527 2.126 1.00 0.00 C ATOM 1067 CG GLN A 67 -9.219 8.144 3.430 1.00 0.00 C ATOM 1068 CD GLN A 67 -9.298 9.668 3.340 1.00 0.00 C ATOM 1069 OE1 GLN A 67 -8.997 10.245 2.313 1.00 0.00 O ATOM 1070 NE2 GLN A 67 -9.696 10.350 4.378 1.00 0.00 N ATOM 0 H GLN A 67 -11.179 6.153 0.555 1.00 0.00 H new ATOM 0 HA GLN A 67 -11.697 7.781 3.047 1.00 0.00 H new ATOM 0 HB2 GLN A 67 -9.451 6.475 2.074 1.00 0.00 H new ATOM 0 HB3 GLN A 67 -9.272 8.023 1.271 1.00 0.00 H new ATOM 0 HG2 GLN A 67 -9.813 7.788 4.272 1.00 0.00 H new ATOM 0 HG3 GLN A 67 -8.190 7.833 3.612 1.00 0.00 H new ATOM 0 HE21 GLN A 67 -9.949 9.866 5.240 1.00 0.00 H new ATOM 0 HE22 GLN A 67 -9.755 11.367 4.328 1.00 0.00 H new ATOM 1079 N LYS A 68 -11.185 9.003 0.032 1.00 0.00 N ATOM 1080 CA LYS A 68 -11.525 10.191 -0.803 1.00 0.00 C ATOM 1081 C LYS A 68 -12.788 9.919 -1.624 1.00 0.00 C ATOM 1082 O LYS A 68 -13.129 8.787 -1.900 1.00 0.00 O ATOM 1083 CB LYS A 68 -10.319 10.389 -1.721 1.00 0.00 C ATOM 1084 CG LYS A 68 -9.955 11.874 -1.769 1.00 0.00 C ATOM 1085 CD LYS A 68 -9.124 12.236 -0.537 1.00 0.00 C ATOM 1086 CE LYS A 68 -9.451 13.667 -0.102 1.00 0.00 C ATOM 1087 NZ LYS A 68 -8.433 14.514 -0.781 1.00 0.00 N ATOM 0 H LYS A 68 -10.593 8.308 -0.423 1.00 0.00 H new ATOM 0 HA LYS A 68 -11.726 11.076 -0.199 1.00 0.00 H new ATOM 0 HB2 LYS A 68 -9.472 9.807 -1.357 1.00 0.00 H new ATOM 0 HB3 LYS A 68 -10.548 10.027 -2.723 1.00 0.00 H new ATOM 0 HG2 LYS A 68 -9.393 12.092 -2.677 1.00 0.00 H new ATOM 0 HG3 LYS A 68 -10.860 12.480 -1.801 1.00 0.00 H new ATOM 0 HD2 LYS A 68 -9.336 11.540 0.275 1.00 0.00 H new ATOM 0 HD3 LYS A 68 -8.061 12.147 -0.763 1.00 0.00 H new ATOM 0 HE2 LYS A 68 -10.461 13.949 -0.398 1.00 0.00 H new ATOM 0 HE3 LYS A 68 -9.395 13.773 0.981 1.00 0.00 H new ATOM 0 HZ1 LYS A 68 -8.590 15.512 -0.533 1.00 0.00 H new ATOM 0 HZ2 LYS A 68 -7.482 14.226 -0.474 1.00 0.00 H new ATOM 0 HZ3 LYS A 68 -8.515 14.397 -1.811 1.00 0.00 H new ATOM 1101 N LYS A 69 -13.485 10.951 -2.015 1.00 0.00 N ATOM 1102 CA LYS A 69 -14.724 10.751 -2.816 1.00 0.00 C ATOM 1103 C LYS A 69 -14.579 11.409 -4.193 1.00 0.00 C ATOM 1104 O LYS A 69 -15.443 12.138 -4.638 1.00 0.00 O ATOM 1105 CB LYS A 69 -15.827 11.439 -2.010 1.00 0.00 C ATOM 1106 CG LYS A 69 -17.031 10.506 -1.899 1.00 0.00 C ATOM 1107 CD LYS A 69 -17.090 9.912 -0.492 1.00 0.00 C ATOM 1108 CE LYS A 69 -18.520 10.007 0.046 1.00 0.00 C ATOM 1109 NZ LYS A 69 -18.506 9.226 1.313 1.00 0.00 N ATOM 0 H LYS A 69 -13.249 11.923 -1.814 1.00 0.00 H new ATOM 0 HA LYS A 69 -14.938 9.696 -2.989 1.00 0.00 H new ATOM 0 HB2 LYS A 69 -15.460 11.697 -1.017 1.00 0.00 H new ATOM 0 HB3 LYS A 69 -16.119 12.371 -2.494 1.00 0.00 H new ATOM 0 HG2 LYS A 69 -17.949 11.053 -2.113 1.00 0.00 H new ATOM 0 HG3 LYS A 69 -16.956 9.709 -2.639 1.00 0.00 H new ATOM 0 HD2 LYS A 69 -16.767 8.871 -0.512 1.00 0.00 H new ATOM 0 HD3 LYS A 69 -16.406 10.446 0.168 1.00 0.00 H new ATOM 0 HE2 LYS A 69 -18.807 11.043 0.224 1.00 0.00 H new ATOM 0 HE3 LYS A 69 -19.237 9.595 -0.664 1.00 0.00 H new ATOM 0 HZ1 LYS A 69 -19.453 9.244 1.742 1.00 0.00 H new ATOM 0 HZ2 LYS A 69 -18.236 8.242 1.111 1.00 0.00 H new ATOM 0 HZ3 LYS A 69 -17.819 9.645 1.972 1.00 0.00 H new ATOM 1123 N ALA A 70 -13.492 11.156 -4.869 1.00 0.00 N ATOM 1124 CA ALA A 70 -13.295 11.765 -6.215 1.00 0.00 C ATOM 1125 C ALA A 70 -13.814 10.824 -7.305 1.00 0.00 C ATOM 1126 O ALA A 70 -13.113 10.488 -8.238 1.00 0.00 O ATOM 1127 CB ALA A 70 -11.782 11.954 -6.346 1.00 0.00 C ATOM 0 H ALA A 70 -12.733 10.555 -4.548 1.00 0.00 H new ATOM 0 HA ALA A 70 -13.836 12.705 -6.325 1.00 0.00 H new ATOM 0 HB1 ALA A 70 -11.553 12.400 -7.314 1.00 0.00 H new ATOM 0 HB2 ALA A 70 -11.427 12.611 -5.552 1.00 0.00 H new ATOM 0 HB3 ALA A 70 -11.286 10.987 -6.266 1.00 0.00 H new ATOM 1133 N SER A 71 -15.043 10.395 -7.194 1.00 0.00 N ATOM 1134 CA SER A 71 -15.604 9.475 -8.225 1.00 0.00 C ATOM 1135 C SER A 71 -17.133 9.414 -8.104 1.00 0.00 C ATOM 1136 O SER A 71 -17.683 8.389 -7.752 1.00 0.00 O ATOM 1137 CB SER A 71 -14.987 8.113 -7.918 1.00 0.00 C ATOM 1138 OG SER A 71 -15.415 7.171 -8.892 1.00 0.00 O ATOM 0 H SER A 71 -15.681 10.641 -6.437 1.00 0.00 H new ATOM 0 HA SER A 71 -15.379 9.804 -9.239 1.00 0.00 H new ATOM 0 HB2 SER A 71 -13.899 8.185 -7.919 1.00 0.00 H new ATOM 0 HB3 SER A 71 -15.283 7.783 -6.922 1.00 0.00 H new ATOM 0 HG SER A 71 -15.019 6.296 -8.697 1.00 0.00 H new ATOM 1144 N PRO A 72 -17.776 10.519 -8.400 1.00 0.00 N ATOM 1145 CA PRO A 72 -19.256 10.578 -8.319 1.00 0.00 C ATOM 1146 C PRO A 72 -19.890 9.777 -9.459 1.00 0.00 C ATOM 1147 O PRO A 72 -20.116 10.288 -10.539 1.00 0.00 O ATOM 1148 CB PRO A 72 -19.567 12.063 -8.461 1.00 0.00 C ATOM 1149 CG PRO A 72 -18.399 12.631 -9.195 1.00 0.00 C ATOM 1150 CD PRO A 72 -17.199 11.798 -8.833 1.00 0.00 C ATOM 0 HA PRO A 72 -19.649 10.152 -7.396 1.00 0.00 H new ATOM 0 HB2 PRO A 72 -20.495 12.222 -9.011 1.00 0.00 H new ATOM 0 HB3 PRO A 72 -19.689 12.536 -7.487 1.00 0.00 H new ATOM 0 HG2 PRO A 72 -18.573 12.609 -10.271 1.00 0.00 H new ATOM 0 HG3 PRO A 72 -18.241 13.674 -8.919 1.00 0.00 H new ATOM 0 HD2 PRO A 72 -16.531 11.667 -9.685 1.00 0.00 H new ATOM 0 HD3 PRO A 72 -16.615 12.262 -8.038 1.00 0.00 H new ATOM 1158 N ARG A 73 -20.181 8.526 -9.227 1.00 0.00 N ATOM 1159 CA ARG A 73 -20.802 7.694 -10.297 1.00 0.00 C ATOM 1160 C ARG A 73 -21.711 6.627 -9.677 1.00 0.00 C ATOM 1161 O ARG A 73 -21.434 5.455 -9.868 1.00 0.00 O ATOM 1162 CB ARG A 73 -19.625 7.043 -11.022 1.00 0.00 C ATOM 1163 CG ARG A 73 -18.830 6.187 -10.035 1.00 0.00 C ATOM 1164 CD ARG A 73 -18.650 4.780 -10.608 1.00 0.00 C ATOM 1165 NE ARG A 73 -17.300 4.792 -11.237 1.00 0.00 N ATOM 1166 CZ ARG A 73 -16.717 3.670 -11.556 1.00 0.00 C ATOM 1167 NH1 ARG A 73 -16.972 3.106 -12.705 1.00 0.00 N ATOM 1168 NH2 ARG A 73 -15.880 3.111 -10.726 1.00 0.00 N ATOM 1169 OXT ARG A 73 -22.668 7.003 -9.021 1.00 0.00 O ATOM 0 H ARG A 73 -20.016 8.044 -8.343 1.00 0.00 H new ATOM 0 HA ARG A 73 -21.422 8.283 -10.973 1.00 0.00 H new ATOM 0 HB2 ARG A 73 -19.987 6.427 -11.845 1.00 0.00 H new ATOM 0 HB3 ARG A 73 -18.982 7.809 -11.456 1.00 0.00 H new ATOM 0 HG2 ARG A 73 -17.857 6.641 -9.845 1.00 0.00 H new ATOM 0 HG3 ARG A 73 -19.351 6.138 -9.079 1.00 0.00 H new ATOM 0 HD2 ARG A 73 -18.715 4.024 -9.826 1.00 0.00 H new ATOM 0 HD3 ARG A 73 -19.425 4.549 -11.339 1.00 0.00 H new ATOM 0 HE ARG A 73 -16.831 5.679 -11.419 1.00 0.00 H new ATOM 0 HH11 ARG A 73 -17.627 3.543 -13.353 1.00 0.00 H new ATOM 0 HH12 ARG A 73 -16.516 2.228 -12.955 1.00 0.00 H new ATOM 0 HH21 ARG A 73 -15.682 3.552 -9.828 1.00 0.00 H new ATOM 0 HH22 ARG A 73 -15.424 2.233 -10.975 1.00 0.00 H new TER 1183 ARG A 73