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 Set 1.1: A 40 THR OG1 : rot -112:sc= 0.658 USER MOD Set 1.2: A 46 GLN : amide:sc= 0.108 K(o=0.77,f=-3.9!) USER MOD Set 2.1: A 24 TYR OH : rot 180:sc= 0 USER MOD Set 2.2: A 60 MET CE :methyl -139:sc= -6.3! (180deg=-12.4!) USER MOD Single : A 1 VAL N :NH3+ -106:sc= -1.81! (180deg=-2.49!) USER MOD Single : A 5 SER OG : rot 180:sc= -0.156 USER MOD Single : A 9 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Single : A 13 SER OG : rot 180:sc= 0.0596 USER MOD Single : A 14 LYS NZ :NH3+ -129:sc= 0 (180deg=-0.00997) USER MOD Single : A 19 ASN : amide:sc= 0 X(o=0,f=-0.053) USER MOD Single : A 23 SER OG : rot 180:sc= 0 USER MOD Single : A 25 GLN : amide:sc= -2.5! C(o=-2.5!,f=-4.6!) USER MOD Single : A 27 SER OG : rot 131:sc= 0.948 USER MOD Single : A 28 SER OG : rot 180:sc= 0.0696 USER MOD Single : A 30 SER OG : rot 180:sc= 0.00507 USER MOD Single : A 31 THR OG1 : rot 180:sc= -0.558 USER MOD Single : A 34 LYS NZ :NH3+ -155:sc= 0 (180deg=-0.0147) USER MOD Single : A 41 THR OG1 : rot -170:sc= -1.37 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= -0.073 X(o=-0.073,f=-0.096) 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= -0.171 K(o=-0.17,f=-1.5) USER MOD Single : A 57 GLN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 59 TYR OH : rot 123:sc= -0.945 USER MOD Single : A 61 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 62 ASN : amide:sc= 0 K(o=0,f=-1.3) USER MOD Single : A 66 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 67 GLN : amide:sc= 0 K(o=0,f=-0.81) 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 -29:sc= -0.0118 USER MOD ----------------------------------------------------------------- ATOM 1 N VAL A 1 -4.302 11.944 4.232 1.00 0.00 N ATOM 2 CA VAL A 1 -2.946 12.428 4.629 1.00 0.00 C ATOM 3 C VAL A 1 -1.872 11.706 3.812 1.00 0.00 C ATOM 4 O VAL A 1 -2.160 11.063 2.822 1.00 0.00 O ATOM 5 CB VAL A 1 -2.806 12.082 6.114 1.00 0.00 C ATOM 6 CG1 VAL A 1 -3.858 12.846 6.922 1.00 0.00 C ATOM 7 CG2 VAL A 1 -3.008 10.579 6.311 1.00 0.00 C ATOM 0 H1 VAL A 1 -4.777 12.672 3.662 1.00 0.00 H new ATOM 0 H2 VAL A 1 -4.209 11.072 3.673 1.00 0.00 H new ATOM 0 H3 VAL A 1 -4.865 11.750 5.085 1.00 0.00 H new ATOM 0 HA VAL A 1 -2.826 13.497 4.451 1.00 0.00 H new ATOM 0 HB VAL A 1 -1.810 12.364 6.456 1.00 0.00 H new ATOM 0 HG11 VAL A 1 -3.756 12.598 7.978 1.00 0.00 H new ATOM 0 HG12 VAL A 1 -3.714 13.918 6.785 1.00 0.00 H new ATOM 0 HG13 VAL A 1 -4.854 12.567 6.578 1.00 0.00 H new ATOM 0 HG21 VAL A 1 -2.908 10.334 7.368 1.00 0.00 H new ATOM 0 HG22 VAL A 1 -4.003 10.297 5.966 1.00 0.00 H new ATOM 0 HG23 VAL A 1 -2.257 10.033 5.740 1.00 0.00 H new ATOM 19 N VAL A 2 -0.635 11.804 4.217 1.00 0.00 N ATOM 20 CA VAL A 2 0.452 11.120 3.460 1.00 0.00 C ATOM 21 C VAL A 2 1.632 10.819 4.374 1.00 0.00 C ATOM 22 O VAL A 2 1.945 11.559 5.285 1.00 0.00 O ATOM 23 CB VAL A 2 0.859 12.106 2.365 1.00 0.00 C ATOM 24 CG1 VAL A 2 1.337 13.412 3.003 1.00 0.00 C ATOM 25 CG2 VAL A 2 1.993 11.500 1.531 1.00 0.00 C ATOM 0 H VAL A 2 -0.330 12.327 5.038 1.00 0.00 H new ATOM 0 HA VAL A 2 0.123 10.166 3.048 1.00 0.00 H new ATOM 0 HB VAL A 2 0.002 12.310 1.723 1.00 0.00 H new ATOM 0 HG11 VAL A 2 1.627 14.114 2.221 1.00 0.00 H new ATOM 0 HG12 VAL A 2 0.531 13.843 3.597 1.00 0.00 H new ATOM 0 HG13 VAL A 2 2.194 13.211 3.646 1.00 0.00 H new ATOM 0 HG21 VAL A 2 2.285 12.202 0.749 1.00 0.00 H new ATOM 0 HG22 VAL A 2 2.849 11.297 2.174 1.00 0.00 H new ATOM 0 HG23 VAL A 2 1.653 10.570 1.075 1.00 0.00 H new ATOM 35 N ILE A 3 2.277 9.717 4.135 1.00 0.00 N ATOM 36 CA ILE A 3 3.438 9.309 4.969 1.00 0.00 C ATOM 37 C ILE A 3 4.710 9.216 4.106 1.00 0.00 C ATOM 38 O ILE A 3 5.109 8.143 3.702 1.00 0.00 O ATOM 39 CB ILE A 3 3.035 7.933 5.479 1.00 0.00 C ATOM 40 CG1 ILE A 3 4.183 7.335 6.294 1.00 0.00 C ATOM 41 CG2 ILE A 3 2.708 7.035 4.276 1.00 0.00 C ATOM 42 CD1 ILE A 3 3.846 5.894 6.660 1.00 0.00 C ATOM 0 H ILE A 3 2.045 9.069 3.383 1.00 0.00 H new ATOM 0 HA ILE A 3 3.662 10.013 5.771 1.00 0.00 H new ATOM 0 HB ILE A 3 2.157 8.011 6.120 1.00 0.00 H new ATOM 0 HG12 ILE A 3 5.108 7.369 5.719 1.00 0.00 H new ATOM 0 HG13 ILE A 3 4.347 7.923 7.197 1.00 0.00 H new ATOM 0 HG21 ILE A 3 2.418 6.045 4.629 1.00 0.00 H new ATOM 0 HG22 ILE A 3 1.887 7.473 3.708 1.00 0.00 H new ATOM 0 HG23 ILE A 3 3.587 6.949 3.637 1.00 0.00 H new ATOM 0 HD11 ILE A 3 4.663 5.466 7.241 1.00 0.00 H new ATOM 0 HD12 ILE A 3 2.930 5.873 7.251 1.00 0.00 H new ATOM 0 HD13 ILE A 3 3.703 5.311 5.750 1.00 0.00 H new ATOM 54 N PRO A 4 5.299 10.355 3.841 1.00 0.00 N ATOM 55 CA PRO A 4 6.525 10.417 3.016 1.00 0.00 C ATOM 56 C PRO A 4 7.788 10.310 3.886 1.00 0.00 C ATOM 57 O PRO A 4 8.887 10.197 3.379 1.00 0.00 O ATOM 58 CB PRO A 4 6.439 11.806 2.391 1.00 0.00 C ATOM 59 CG PRO A 4 5.603 12.627 3.333 1.00 0.00 C ATOM 60 CD PRO A 4 4.881 11.683 4.270 1.00 0.00 C ATOM 0 HA PRO A 4 6.590 9.606 2.291 1.00 0.00 H new ATOM 0 HB2 PRO A 4 7.431 12.241 2.267 1.00 0.00 H new ATOM 0 HB3 PRO A 4 5.984 11.762 1.401 1.00 0.00 H new ATOM 0 HG2 PRO A 4 6.232 13.316 3.897 1.00 0.00 H new ATOM 0 HG3 PRO A 4 4.887 13.232 2.777 1.00 0.00 H new ATOM 0 HD2 PRO A 4 5.154 11.869 5.309 1.00 0.00 H new ATOM 0 HD3 PRO A 4 3.800 11.802 4.198 1.00 0.00 H new ATOM 68 N SER A 5 7.649 10.368 5.184 1.00 0.00 N ATOM 69 CA SER A 5 8.850 10.299 6.068 1.00 0.00 C ATOM 70 C SER A 5 9.513 8.911 6.016 1.00 0.00 C ATOM 71 O SER A 5 10.673 8.798 5.675 1.00 0.00 O ATOM 72 CB SER A 5 8.322 10.612 7.473 1.00 0.00 C ATOM 73 OG SER A 5 9.047 9.859 8.438 1.00 0.00 O ATOM 0 H SER A 5 6.757 10.460 5.670 1.00 0.00 H new ATOM 0 HA SER A 5 9.623 11.001 5.755 1.00 0.00 H new ATOM 0 HB2 SER A 5 8.421 11.678 7.680 1.00 0.00 H new ATOM 0 HB3 SER A 5 7.260 10.373 7.534 1.00 0.00 H new ATOM 0 HG SER A 5 8.708 10.063 9.334 1.00 0.00 H new ATOM 79 N PRO A 6 8.764 7.900 6.371 1.00 0.00 N ATOM 80 CA PRO A 6 9.311 6.519 6.378 1.00 0.00 C ATOM 81 C PRO A 6 9.473 5.986 4.952 1.00 0.00 C ATOM 82 O PRO A 6 8.507 5.769 4.249 1.00 0.00 O ATOM 83 CB PRO A 6 8.257 5.718 7.131 1.00 0.00 C ATOM 84 CG PRO A 6 6.991 6.483 6.944 1.00 0.00 C ATOM 85 CD PRO A 6 7.361 7.936 6.792 1.00 0.00 C ATOM 0 HA PRO A 6 10.299 6.461 6.835 1.00 0.00 H new ATOM 0 HB2 PRO A 6 8.170 4.707 6.734 1.00 0.00 H new ATOM 0 HB3 PRO A 6 8.511 5.625 8.187 1.00 0.00 H new ATOM 0 HG2 PRO A 6 6.455 6.129 6.063 1.00 0.00 H new ATOM 0 HG3 PRO A 6 6.328 6.343 7.798 1.00 0.00 H new ATOM 0 HD2 PRO A 6 6.734 8.433 6.051 1.00 0.00 H new ATOM 0 HD3 PRO A 6 7.239 8.480 7.729 1.00 0.00 H new ATOM 93 N CYS A 7 10.686 5.768 4.521 1.00 0.00 N ATOM 94 CA CYS A 7 10.905 5.243 3.142 1.00 0.00 C ATOM 95 C CYS A 7 10.802 3.716 3.133 1.00 0.00 C ATOM 96 O CYS A 7 10.084 3.128 3.916 1.00 0.00 O ATOM 97 CB CYS A 7 12.317 5.691 2.764 1.00 0.00 C ATOM 98 SG CYS A 7 12.367 6.084 0.998 1.00 0.00 S ATOM 0 H CYS A 7 11.534 5.930 5.063 1.00 0.00 H new ATOM 0 HA CYS A 7 10.160 5.613 2.437 1.00 0.00 H new ATOM 0 HB2 CYS A 7 12.603 6.564 3.351 1.00 0.00 H new ATOM 0 HB3 CYS A 7 13.035 4.903 2.993 1.00 0.00 H new ATOM 103 N CYS A 8 11.509 3.071 2.247 1.00 0.00 N ATOM 104 CA CYS A 8 11.443 1.583 2.184 1.00 0.00 C ATOM 105 C CYS A 8 12.849 0.983 2.136 1.00 0.00 C ATOM 106 O CYS A 8 13.798 1.621 1.728 1.00 0.00 O ATOM 107 CB CYS A 8 10.695 1.284 0.887 1.00 0.00 C ATOM 108 SG CYS A 8 8.934 1.081 1.240 1.00 0.00 S ATOM 0 H CYS A 8 12.129 3.508 1.565 1.00 0.00 H new ATOM 0 HA CYS A 8 10.950 1.156 3.057 1.00 0.00 H new ATOM 0 HB2 CYS A 8 10.843 2.095 0.174 1.00 0.00 H new ATOM 0 HB3 CYS A 8 11.091 0.379 0.427 1.00 0.00 H new ATOM 113 N MET A 9 12.985 -0.251 2.542 1.00 0.00 N ATOM 114 CA MET A 9 14.324 -0.905 2.516 1.00 0.00 C ATOM 115 C MET A 9 14.351 -1.976 1.421 1.00 0.00 C ATOM 116 O MET A 9 15.265 -2.041 0.623 1.00 0.00 O ATOM 117 CB MET A 9 14.483 -1.542 3.896 1.00 0.00 C ATOM 118 CG MET A 9 15.939 -1.976 4.094 1.00 0.00 C ATOM 119 SD MET A 9 16.612 -1.192 5.580 1.00 0.00 S ATOM 120 CE MET A 9 16.487 -2.629 6.673 1.00 0.00 C ATOM 0 H MET A 9 12.225 -0.835 2.891 1.00 0.00 H new ATOM 0 HA MET A 9 15.130 -0.203 2.303 1.00 0.00 H new ATOM 0 HB2 MET A 9 14.195 -0.832 4.671 1.00 0.00 H new ATOM 0 HB3 MET A 9 13.820 -2.402 3.990 1.00 0.00 H new ATOM 0 HG2 MET A 9 15.996 -3.061 4.186 1.00 0.00 H new ATOM 0 HG3 MET A 9 16.533 -1.698 3.223 1.00 0.00 H new ATOM 0 HE1 MET A 9 16.856 -2.365 7.664 1.00 0.00 H new ATOM 0 HE2 MET A 9 15.445 -2.942 6.745 1.00 0.00 H new ATOM 0 HE3 MET A 9 17.084 -3.446 6.269 1.00 0.00 H new ATOM 130 N PHE A 10 13.346 -2.810 1.373 1.00 0.00 N ATOM 131 CA PHE A 10 13.303 -3.871 0.327 1.00 0.00 C ATOM 132 C PHE A 10 11.903 -3.936 -0.295 1.00 0.00 C ATOM 133 O PHE A 10 10.919 -3.614 0.343 1.00 0.00 O ATOM 134 CB PHE A 10 13.637 -5.177 1.061 1.00 0.00 C ATOM 135 CG PHE A 10 12.507 -5.558 1.995 1.00 0.00 C ATOM 136 CD1 PHE A 10 12.458 -5.027 3.289 1.00 0.00 C ATOM 137 CD2 PHE A 10 11.509 -6.442 1.564 1.00 0.00 C ATOM 138 CE1 PHE A 10 11.413 -5.380 4.152 1.00 0.00 C ATOM 139 CE2 PHE A 10 10.466 -6.796 2.427 1.00 0.00 C ATOM 140 CZ PHE A 10 10.417 -6.264 3.722 1.00 0.00 C ATOM 0 H PHE A 10 12.553 -2.801 2.014 1.00 0.00 H new ATOM 0 HA PHE A 10 14.003 -3.680 -0.486 1.00 0.00 H new ATOM 0 HB2 PHE A 10 13.806 -5.975 0.338 1.00 0.00 H new ATOM 0 HB3 PHE A 10 14.561 -5.058 1.627 1.00 0.00 H new ATOM 0 HD1 PHE A 10 13.226 -4.345 3.622 1.00 0.00 H new ATOM 0 HD2 PHE A 10 11.545 -6.850 0.565 1.00 0.00 H new ATOM 0 HE1 PHE A 10 11.376 -4.970 5.150 1.00 0.00 H new ATOM 0 HE2 PHE A 10 9.699 -7.479 2.095 1.00 0.00 H new ATOM 0 HZ PHE A 10 9.611 -6.536 4.388 1.00 0.00 H new ATOM 150 N PHE A 11 11.800 -4.357 -1.525 1.00 0.00 N ATOM 151 CA PHE A 11 10.457 -4.444 -2.160 1.00 0.00 C ATOM 152 C PHE A 11 9.833 -5.809 -1.874 1.00 0.00 C ATOM 153 O PHE A 11 10.513 -6.812 -1.789 1.00 0.00 O ATOM 154 CB PHE A 11 10.698 -4.261 -3.661 1.00 0.00 C ATOM 155 CG PHE A 11 10.107 -2.945 -4.121 1.00 0.00 C ATOM 156 CD1 PHE A 11 10.184 -1.809 -3.302 1.00 0.00 C ATOM 157 CD2 PHE A 11 9.476 -2.865 -5.367 1.00 0.00 C ATOM 158 CE1 PHE A 11 9.631 -0.598 -3.733 1.00 0.00 C ATOM 159 CE2 PHE A 11 8.925 -1.653 -5.797 1.00 0.00 C ATOM 160 CZ PHE A 11 9.002 -0.520 -4.979 1.00 0.00 C ATOM 0 H PHE A 11 12.582 -4.643 -2.114 1.00 0.00 H new ATOM 0 HA PHE A 11 9.771 -3.690 -1.774 1.00 0.00 H new ATOM 0 HB2 PHE A 11 11.767 -4.283 -3.872 1.00 0.00 H new ATOM 0 HB3 PHE A 11 10.247 -5.085 -4.214 1.00 0.00 H new ATOM 0 HD1 PHE A 11 10.670 -1.869 -2.339 1.00 0.00 H new ATOM 0 HD2 PHE A 11 9.414 -3.740 -5.998 1.00 0.00 H new ATOM 0 HE1 PHE A 11 9.690 0.277 -3.103 1.00 0.00 H new ATOM 0 HE2 PHE A 11 8.440 -1.592 -6.760 1.00 0.00 H new ATOM 0 HZ PHE A 11 8.575 0.415 -5.311 1.00 0.00 H new ATOM 170 N VAL A 12 8.541 -5.848 -1.718 1.00 0.00 N ATOM 171 CA VAL A 12 7.850 -7.139 -1.430 1.00 0.00 C ATOM 172 C VAL A 12 8.327 -8.238 -2.385 1.00 0.00 C ATOM 173 O VAL A 12 8.830 -7.968 -3.458 1.00 0.00 O ATOM 174 CB VAL A 12 6.362 -6.855 -1.660 1.00 0.00 C ATOM 175 CG1 VAL A 12 5.829 -5.968 -0.533 1.00 0.00 C ATOM 176 CG2 VAL A 12 6.170 -6.141 -3.007 1.00 0.00 C ATOM 0 H VAL A 12 7.927 -5.036 -1.778 1.00 0.00 H new ATOM 0 HA VAL A 12 8.056 -7.488 -0.418 1.00 0.00 H new ATOM 0 HB VAL A 12 5.815 -7.798 -1.671 1.00 0.00 H new ATOM 0 HG11 VAL A 12 4.771 -5.767 -0.698 1.00 0.00 H new ATOM 0 HG12 VAL A 12 5.957 -6.477 0.422 1.00 0.00 H new ATOM 0 HG13 VAL A 12 6.379 -5.027 -0.519 1.00 0.00 H new ATOM 0 HG21 VAL A 12 5.110 -5.942 -3.165 1.00 0.00 H new ATOM 0 HG22 VAL A 12 6.719 -5.200 -3.001 1.00 0.00 H new ATOM 0 HG23 VAL A 12 6.544 -6.775 -3.811 1.00 0.00 H new ATOM 186 N SER A 13 8.163 -9.476 -2.005 1.00 0.00 N ATOM 187 CA SER A 13 8.597 -10.593 -2.893 1.00 0.00 C ATOM 188 C SER A 13 7.686 -10.664 -4.119 1.00 0.00 C ATOM 189 O SER A 13 8.086 -11.102 -5.179 1.00 0.00 O ATOM 190 CB SER A 13 8.454 -11.855 -2.043 1.00 0.00 C ATOM 191 OG SER A 13 8.770 -11.550 -0.691 1.00 0.00 O ATOM 0 H SER A 13 7.748 -9.763 -1.119 1.00 0.00 H new ATOM 0 HA SER A 13 9.616 -10.465 -3.257 1.00 0.00 H new ATOM 0 HB2 SER A 13 7.437 -12.241 -2.113 1.00 0.00 H new ATOM 0 HB3 SER A 13 9.117 -12.636 -2.416 1.00 0.00 H new ATOM 0 HG SER A 13 8.677 -12.357 -0.143 1.00 0.00 H new ATOM 197 N LYS A 14 6.462 -10.234 -3.981 1.00 0.00 N ATOM 198 CA LYS A 14 5.522 -10.274 -5.135 1.00 0.00 C ATOM 199 C LYS A 14 4.240 -9.503 -4.801 1.00 0.00 C ATOM 200 O LYS A 14 4.210 -8.692 -3.898 1.00 0.00 O ATOM 201 CB LYS A 14 5.221 -11.758 -5.353 1.00 0.00 C ATOM 202 CG LYS A 14 4.620 -12.352 -4.075 1.00 0.00 C ATOM 203 CD LYS A 14 5.345 -13.653 -3.724 1.00 0.00 C ATOM 204 CE LYS A 14 4.351 -14.815 -3.742 1.00 0.00 C ATOM 205 NZ LYS A 14 4.162 -15.139 -5.183 1.00 0.00 N ATOM 0 H LYS A 14 6.072 -9.856 -3.117 1.00 0.00 H new ATOM 0 HA LYS A 14 5.944 -9.812 -6.028 1.00 0.00 H new ATOM 0 HB2 LYS A 14 4.527 -11.881 -6.185 1.00 0.00 H new ATOM 0 HB3 LYS A 14 6.135 -12.290 -5.619 1.00 0.00 H new ATOM 0 HG2 LYS A 14 4.710 -11.641 -3.254 1.00 0.00 H new ATOM 0 HG3 LYS A 14 3.556 -12.543 -4.216 1.00 0.00 H new ATOM 0 HD2 LYS A 14 6.148 -13.837 -4.437 1.00 0.00 H new ATOM 0 HD3 LYS A 14 5.806 -13.570 -2.740 1.00 0.00 H new ATOM 0 HE2 LYS A 14 4.737 -15.673 -3.192 1.00 0.00 H new ATOM 0 HE3 LYS A 14 3.408 -14.535 -3.274 1.00 0.00 H new ATOM 0 HZ1 LYS A 14 3.146 -15.169 -5.402 1.00 0.00 H new ATOM 0 HZ2 LYS A 14 4.620 -14.410 -5.766 1.00 0.00 H new ATOM 0 HZ3 LYS A 14 4.588 -16.065 -5.389 1.00 0.00 H new ATOM 219 N ARG A 15 3.181 -9.751 -5.524 1.00 0.00 N ATOM 220 CA ARG A 15 1.901 -9.034 -5.251 1.00 0.00 C ATOM 221 C ARG A 15 1.214 -9.640 -4.018 1.00 0.00 C ATOM 222 O ARG A 15 1.463 -10.771 -3.651 1.00 0.00 O ATOM 223 CB ARG A 15 1.067 -9.257 -6.520 1.00 0.00 C ATOM 224 CG ARG A 15 -0.379 -8.800 -6.301 1.00 0.00 C ATOM 225 CD ARG A 15 -1.261 -10.020 -6.026 1.00 0.00 C ATOM 226 NE ARG A 15 -1.465 -10.652 -7.359 1.00 0.00 N ATOM 227 CZ ARG A 15 -2.376 -11.573 -7.513 1.00 0.00 C ATOM 228 NH1 ARG A 15 -2.278 -12.700 -6.862 1.00 0.00 N ATOM 229 NH2 ARG A 15 -3.385 -11.367 -8.313 1.00 0.00 N ATOM 0 H ARG A 15 3.147 -10.420 -6.293 1.00 0.00 H new ATOM 0 HA ARG A 15 2.039 -7.974 -5.036 1.00 0.00 H new ATOM 0 HB2 ARG A 15 1.506 -8.707 -7.352 1.00 0.00 H new ATOM 0 HB3 ARG A 15 1.084 -10.312 -6.792 1.00 0.00 H new ATOM 0 HG2 ARG A 15 -0.429 -8.105 -5.463 1.00 0.00 H new ATOM 0 HG3 ARG A 15 -0.741 -8.267 -7.180 1.00 0.00 H new ATOM 0 HD2 ARG A 15 -0.779 -10.708 -5.332 1.00 0.00 H new ATOM 0 HD3 ARG A 15 -2.211 -9.728 -5.577 1.00 0.00 H new ATOM 0 HE ARG A 15 -0.892 -10.364 -8.152 1.00 0.00 H new ATOM 0 HH11 ARG A 15 -1.490 -12.859 -6.234 1.00 0.00 H new ATOM 0 HH12 ARG A 15 -2.989 -13.421 -6.981 1.00 0.00 H new ATOM 0 HH21 ARG A 15 -3.463 -10.485 -8.819 1.00 0.00 H new ATOM 0 HH22 ARG A 15 -4.097 -12.088 -8.432 1.00 0.00 H new ATOM 243 N ILE A 16 0.360 -8.892 -3.373 1.00 0.00 N ATOM 244 CA ILE A 16 -0.338 -9.417 -2.154 1.00 0.00 C ATOM 245 C ILE A 16 -1.800 -9.735 -2.481 1.00 0.00 C ATOM 246 O ILE A 16 -2.314 -9.285 -3.482 1.00 0.00 O ATOM 247 CB ILE A 16 -0.295 -8.300 -1.080 1.00 0.00 C ATOM 248 CG1 ILE A 16 0.781 -7.247 -1.406 1.00 0.00 C ATOM 249 CG2 ILE A 16 0.001 -8.932 0.281 1.00 0.00 C ATOM 250 CD1 ILE A 16 0.914 -6.242 -0.257 1.00 0.00 C ATOM 0 H ILE A 16 0.112 -7.938 -3.635 1.00 0.00 H new ATOM 0 HA ILE A 16 0.148 -10.327 -1.802 1.00 0.00 H new ATOM 0 HB ILE A 16 -1.262 -7.797 -1.064 1.00 0.00 H new ATOM 0 HG12 ILE A 16 1.738 -7.738 -1.580 1.00 0.00 H new ATOM 0 HG13 ILE A 16 0.520 -6.724 -2.326 1.00 0.00 H new ATOM 0 HG21 ILE A 16 0.033 -8.154 1.044 1.00 0.00 H new ATOM 0 HG22 ILE A 16 -0.782 -9.649 0.527 1.00 0.00 H new ATOM 0 HG23 ILE A 16 0.963 -9.443 0.243 1.00 0.00 H new ATOM 0 HD11 ILE A 16 1.679 -5.506 -0.504 1.00 0.00 H new ATOM 0 HD12 ILE A 16 -0.040 -5.737 -0.103 1.00 0.00 H new ATOM 0 HD13 ILE A 16 1.198 -6.767 0.655 1.00 0.00 H new ATOM 262 N PRO A 17 -2.431 -10.482 -1.609 1.00 0.00 N ATOM 263 CA PRO A 17 -3.847 -10.832 -1.787 1.00 0.00 C ATOM 264 C PRO A 17 -4.725 -9.800 -1.069 1.00 0.00 C ATOM 265 O PRO A 17 -4.662 -9.654 0.137 1.00 0.00 O ATOM 266 CB PRO A 17 -3.950 -12.196 -1.121 1.00 0.00 C ATOM 267 CG PRO A 17 -2.831 -12.243 -0.120 1.00 0.00 C ATOM 268 CD PRO A 17 -1.896 -11.085 -0.390 1.00 0.00 C ATOM 0 HA PRO A 17 -4.174 -10.847 -2.827 1.00 0.00 H new ATOM 0 HB2 PRO A 17 -4.917 -12.322 -0.634 1.00 0.00 H new ATOM 0 HB3 PRO A 17 -3.855 -12.998 -1.853 1.00 0.00 H new ATOM 0 HG2 PRO A 17 -3.227 -12.182 0.894 1.00 0.00 H new ATOM 0 HG3 PRO A 17 -2.294 -13.189 -0.196 1.00 0.00 H new ATOM 0 HD2 PRO A 17 -1.889 -10.375 0.437 1.00 0.00 H new ATOM 0 HD3 PRO A 17 -0.869 -11.424 -0.529 1.00 0.00 H new ATOM 276 N GLU A 18 -5.529 -9.072 -1.797 1.00 0.00 N ATOM 277 CA GLU A 18 -6.399 -8.034 -1.157 1.00 0.00 C ATOM 278 C GLU A 18 -7.112 -8.596 0.081 1.00 0.00 C ATOM 279 O GLU A 18 -7.483 -7.865 0.976 1.00 0.00 O ATOM 280 CB GLU A 18 -7.415 -7.651 -2.233 1.00 0.00 C ATOM 281 CG GLU A 18 -8.172 -8.898 -2.691 1.00 0.00 C ATOM 282 CD GLU A 18 -9.629 -8.812 -2.231 1.00 0.00 C ATOM 283 OE1 GLU A 18 -10.373 -8.049 -2.825 1.00 0.00 O ATOM 284 OE2 GLU A 18 -9.976 -9.509 -1.291 1.00 0.00 O ATOM 0 H GLU A 18 -5.623 -9.149 -2.810 1.00 0.00 H new ATOM 0 HA GLU A 18 -5.818 -7.178 -0.813 1.00 0.00 H new ATOM 0 HB2 GLU A 18 -8.114 -6.912 -1.841 1.00 0.00 H new ATOM 0 HB3 GLU A 18 -6.907 -7.190 -3.080 1.00 0.00 H new ATOM 0 HG2 GLU A 18 -8.127 -8.985 -3.777 1.00 0.00 H new ATOM 0 HG3 GLU A 18 -7.703 -9.792 -2.280 1.00 0.00 H new ATOM 291 N ASN A 19 -7.307 -9.885 0.141 1.00 0.00 N ATOM 292 CA ASN A 19 -7.998 -10.477 1.323 1.00 0.00 C ATOM 293 C ASN A 19 -7.151 -10.286 2.586 1.00 0.00 C ATOM 294 O ASN A 19 -7.648 -10.355 3.693 1.00 0.00 O ATOM 295 CB ASN A 19 -8.141 -11.963 0.995 1.00 0.00 C ATOM 296 CG ASN A 19 -9.305 -12.555 1.791 1.00 0.00 C ATOM 297 OD1 ASN A 19 -10.434 -12.135 1.642 1.00 0.00 O ATOM 298 ND2 ASN A 19 -9.073 -13.521 2.639 1.00 0.00 N ATOM 0 H ASN A 19 -7.019 -10.552 -0.575 1.00 0.00 H new ATOM 0 HA ASN A 19 -8.962 -10.006 1.514 1.00 0.00 H new ATOM 0 HB2 ASN A 19 -8.314 -12.095 -0.073 1.00 0.00 H new ATOM 0 HB3 ASN A 19 -7.217 -12.489 1.236 1.00 0.00 H new ATOM 0 HD21 ASN A 19 -9.841 -13.923 3.177 1.00 0.00 H new ATOM 0 HD22 ASN A 19 -8.124 -13.873 2.764 1.00 0.00 H new ATOM 305 N ARG A 20 -5.876 -10.056 2.430 1.00 0.00 N ATOM 306 CA ARG A 20 -4.998 -9.872 3.619 1.00 0.00 C ATOM 307 C ARG A 20 -4.588 -8.405 3.763 1.00 0.00 C ATOM 308 O ARG A 20 -4.422 -7.899 4.855 1.00 0.00 O ATOM 309 CB ARG A 20 -3.781 -10.744 3.328 1.00 0.00 C ATOM 310 CG ARG A 20 -4.174 -12.216 3.452 1.00 0.00 C ATOM 311 CD ARG A 20 -3.146 -12.955 4.312 1.00 0.00 C ATOM 312 NE ARG A 20 -3.778 -14.267 4.623 1.00 0.00 N ATOM 313 CZ ARG A 20 -3.905 -15.169 3.685 1.00 0.00 C ATOM 314 NH1 ARG A 20 -2.855 -15.813 3.254 1.00 0.00 N ATOM 315 NH2 ARG A 20 -5.080 -15.427 3.182 1.00 0.00 N ATOM 0 H ARG A 20 -5.404 -9.988 1.528 1.00 0.00 H new ATOM 0 HA ARG A 20 -5.494 -10.146 4.550 1.00 0.00 H new ATOM 0 HB2 ARG A 20 -3.404 -10.539 2.326 1.00 0.00 H new ATOM 0 HB3 ARG A 20 -2.977 -10.510 4.025 1.00 0.00 H new ATOM 0 HG2 ARG A 20 -5.165 -12.301 3.899 1.00 0.00 H new ATOM 0 HG3 ARG A 20 -4.230 -12.672 2.463 1.00 0.00 H new ATOM 0 HD2 ARG A 20 -2.205 -13.087 3.777 1.00 0.00 H new ATOM 0 HD3 ARG A 20 -2.920 -12.400 5.222 1.00 0.00 H new ATOM 0 HE ARG A 20 -4.112 -14.462 5.567 1.00 0.00 H new ATOM 0 HH11 ARG A 20 -1.936 -15.613 3.649 1.00 0.00 H new ATOM 0 HH12 ARG A 20 -2.953 -16.517 2.522 1.00 0.00 H new ATOM 0 HH21 ARG A 20 -5.901 -14.925 3.520 1.00 0.00 H new ATOM 0 HH22 ARG A 20 -5.178 -16.131 2.450 1.00 0.00 H new ATOM 329 N VAL A 21 -4.419 -7.723 2.667 1.00 0.00 N ATOM 330 CA VAL A 21 -4.012 -6.286 2.734 1.00 0.00 C ATOM 331 C VAL A 21 -5.160 -5.426 3.267 1.00 0.00 C ATOM 332 O VAL A 21 -6.319 -5.754 3.107 1.00 0.00 O ATOM 333 CB VAL A 21 -3.688 -5.898 1.292 1.00 0.00 C ATOM 334 CG1 VAL A 21 -3.110 -4.484 1.267 1.00 0.00 C ATOM 335 CG2 VAL A 21 -2.667 -6.878 0.710 1.00 0.00 C ATOM 0 H VAL A 21 -4.544 -8.095 1.725 1.00 0.00 H new ATOM 0 HA VAL A 21 -3.165 -6.134 3.403 1.00 0.00 H new ATOM 0 HB VAL A 21 -4.599 -5.932 0.694 1.00 0.00 H new ATOM 0 HG11 VAL A 21 -2.878 -4.204 0.240 1.00 0.00 H new ATOM 0 HG12 VAL A 21 -3.839 -3.786 1.677 1.00 0.00 H new ATOM 0 HG13 VAL A 21 -2.200 -4.452 1.866 1.00 0.00 H new ATOM 0 HG21 VAL A 21 -2.439 -6.598 -0.318 1.00 0.00 H new ATOM 0 HG22 VAL A 21 -1.754 -6.849 1.305 1.00 0.00 H new ATOM 0 HG23 VAL A 21 -3.080 -7.887 0.728 1.00 0.00 H new ATOM 345 N VAL A 22 -4.850 -4.324 3.899 1.00 0.00 N ATOM 346 CA VAL A 22 -5.924 -3.448 4.434 1.00 0.00 C ATOM 347 C VAL A 22 -5.742 -2.010 3.953 1.00 0.00 C ATOM 348 O VAL A 22 -6.696 -1.315 3.667 1.00 0.00 O ATOM 349 CB VAL A 22 -5.776 -3.499 5.955 1.00 0.00 C ATOM 350 CG1 VAL A 22 -6.194 -4.872 6.465 1.00 0.00 C ATOM 351 CG2 VAL A 22 -4.323 -3.230 6.363 1.00 0.00 C ATOM 0 H VAL A 22 -3.899 -3.996 4.066 1.00 0.00 H new ATOM 0 HA VAL A 22 -6.906 -3.781 4.100 1.00 0.00 H new ATOM 0 HB VAL A 22 -6.415 -2.731 6.391 1.00 0.00 H new ATOM 0 HG11 VAL A 22 -6.087 -4.905 7.549 1.00 0.00 H new ATOM 0 HG12 VAL A 22 -7.234 -5.059 6.197 1.00 0.00 H new ATOM 0 HG13 VAL A 22 -5.560 -5.636 6.015 1.00 0.00 H new ATOM 0 HG21 VAL A 22 -4.237 -3.270 7.449 1.00 0.00 H new ATOM 0 HG22 VAL A 22 -3.675 -3.985 5.919 1.00 0.00 H new ATOM 0 HG23 VAL A 22 -4.023 -2.243 6.012 1.00 0.00 H new ATOM 361 N SER A 23 -4.526 -1.552 3.882 1.00 0.00 N ATOM 362 CA SER A 23 -4.285 -0.150 3.445 1.00 0.00 C ATOM 363 C SER A 23 -2.787 0.090 3.257 1.00 0.00 C ATOM 364 O SER A 23 -1.967 -0.568 3.867 1.00 0.00 O ATOM 365 CB SER A 23 -4.831 0.689 4.595 1.00 0.00 C ATOM 366 OG SER A 23 -4.645 2.068 4.304 1.00 0.00 O ATOM 0 H SER A 23 -3.688 -2.087 4.108 1.00 0.00 H new ATOM 0 HA SER A 23 -4.758 0.092 2.493 1.00 0.00 H new ATOM 0 HB2 SER A 23 -5.890 0.477 4.743 1.00 0.00 H new ATOM 0 HB3 SER A 23 -4.321 0.430 5.523 1.00 0.00 H new ATOM 0 HG SER A 23 -4.997 2.608 5.042 1.00 0.00 H new ATOM 372 N TYR A 24 -2.412 1.003 2.401 1.00 0.00 N ATOM 373 CA TYR A 24 -0.966 1.240 2.172 1.00 0.00 C ATOM 374 C TYR A 24 -0.471 2.536 2.823 1.00 0.00 C ATOM 375 O TYR A 24 -1.142 3.164 3.617 1.00 0.00 O ATOM 376 CB TYR A 24 -0.833 1.318 0.647 1.00 0.00 C ATOM 377 CG TYR A 24 -1.342 2.653 0.137 1.00 0.00 C ATOM 378 CD1 TYR A 24 -2.693 2.810 -0.182 1.00 0.00 C ATOM 379 CD2 TYR A 24 -0.457 3.731 -0.010 1.00 0.00 C ATOM 380 CE1 TYR A 24 -3.168 4.042 -0.648 1.00 0.00 C ATOM 381 CE2 TYR A 24 -0.932 4.963 -0.476 1.00 0.00 C ATOM 382 CZ TYR A 24 -2.286 5.119 -0.797 1.00 0.00 C ATOM 383 OH TYR A 24 -2.751 6.333 -1.255 1.00 0.00 O ATOM 0 H TYR A 24 -3.044 1.589 1.856 1.00 0.00 H new ATOM 0 HA TYR A 24 -0.360 0.451 2.617 1.00 0.00 H new ATOM 0 HB2 TYR A 24 0.210 1.186 0.360 1.00 0.00 H new ATOM 0 HB3 TYR A 24 -1.396 0.507 0.185 1.00 0.00 H new ATOM 0 HD1 TYR A 24 -3.373 1.979 -0.069 1.00 0.00 H new ATOM 0 HD2 TYR A 24 0.588 3.611 0.236 1.00 0.00 H new ATOM 0 HE1 TYR A 24 -4.213 4.161 -0.892 1.00 0.00 H new ATOM 0 HE2 TYR A 24 -0.252 5.795 -0.588 1.00 0.00 H new ATOM 0 HH TYR A 24 -2.009 6.972 -1.299 1.00 0.00 H new ATOM 393 N GLN A 25 0.717 2.921 2.455 1.00 0.00 N ATOM 394 CA GLN A 25 1.340 4.165 2.980 1.00 0.00 C ATOM 395 C GLN A 25 2.348 4.651 1.935 1.00 0.00 C ATOM 396 O GLN A 25 3.466 4.187 1.879 1.00 0.00 O ATOM 397 CB GLN A 25 2.041 3.732 4.270 1.00 0.00 C ATOM 398 CG GLN A 25 1.189 4.137 5.474 1.00 0.00 C ATOM 399 CD GLN A 25 0.286 2.970 5.879 1.00 0.00 C ATOM 400 OE1 GLN A 25 0.624 1.822 5.663 1.00 0.00 O ATOM 401 NE2 GLN A 25 -0.855 3.217 6.461 1.00 0.00 N ATOM 0 H GLN A 25 1.299 2.409 1.792 1.00 0.00 H new ATOM 0 HA GLN A 25 0.636 4.974 3.175 1.00 0.00 H new ATOM 0 HB2 GLN A 25 2.197 2.653 4.267 1.00 0.00 H new ATOM 0 HB3 GLN A 25 3.025 4.196 4.335 1.00 0.00 H new ATOM 0 HG2 GLN A 25 1.831 4.420 6.308 1.00 0.00 H new ATOM 0 HG3 GLN A 25 0.584 5.010 5.227 1.00 0.00 H new ATOM 0 HE21 GLN A 25 -1.137 4.180 6.642 1.00 0.00 H new ATOM 0 HE22 GLN A 25 -1.465 2.447 6.735 1.00 0.00 H new ATOM 410 N LEU A 26 1.943 5.545 1.076 1.00 0.00 N ATOM 411 CA LEU A 26 2.864 6.013 -0.002 1.00 0.00 C ATOM 412 C LEU A 26 4.032 6.829 0.549 1.00 0.00 C ATOM 413 O LEU A 26 3.872 7.678 1.401 1.00 0.00 O ATOM 414 CB LEU A 26 1.999 6.876 -0.919 1.00 0.00 C ATOM 415 CG LEU A 26 1.635 6.081 -2.176 1.00 0.00 C ATOM 416 CD1 LEU A 26 0.788 6.954 -3.103 1.00 0.00 C ATOM 417 CD2 LEU A 26 2.915 5.660 -2.905 1.00 0.00 C ATOM 0 H LEU A 26 1.017 5.972 1.072 1.00 0.00 H new ATOM 0 HA LEU A 26 3.315 5.167 -0.521 1.00 0.00 H new ATOM 0 HB2 LEU A 26 1.094 7.186 -0.397 1.00 0.00 H new ATOM 0 HB3 LEU A 26 2.535 7.784 -1.193 1.00 0.00 H new ATOM 0 HG LEU A 26 1.070 5.194 -1.892 1.00 0.00 H new ATOM 0 HD11 LEU A 26 0.528 6.389 -3.998 1.00 0.00 H new ATOM 0 HD12 LEU A 26 -0.124 7.255 -2.587 1.00 0.00 H new ATOM 0 HD13 LEU A 26 1.355 7.841 -3.386 1.00 0.00 H new ATOM 0 HD21 LEU A 26 2.655 5.094 -3.800 1.00 0.00 H new ATOM 0 HD22 LEU A 26 3.481 6.547 -3.189 1.00 0.00 H new ATOM 0 HD23 LEU A 26 3.521 5.038 -2.246 1.00 0.00 H new ATOM 429 N SER A 27 5.209 6.581 0.044 1.00 0.00 N ATOM 430 CA SER A 27 6.402 7.338 0.506 1.00 0.00 C ATOM 431 C SER A 27 7.162 7.906 -0.696 1.00 0.00 C ATOM 432 O SER A 27 8.283 7.526 -0.968 1.00 0.00 O ATOM 433 CB SER A 27 7.262 6.319 1.249 1.00 0.00 C ATOM 434 OG SER A 27 8.052 6.995 2.220 1.00 0.00 O ATOM 0 H SER A 27 5.395 5.881 -0.674 1.00 0.00 H new ATOM 0 HA SER A 27 6.133 8.181 1.143 1.00 0.00 H new ATOM 0 HB2 SER A 27 6.629 5.574 1.732 1.00 0.00 H new ATOM 0 HB3 SER A 27 7.904 5.786 0.547 1.00 0.00 H new ATOM 0 HG SER A 27 7.968 6.541 3.084 1.00 0.00 H new ATOM 440 N SER A 28 6.561 8.811 -1.419 1.00 0.00 N ATOM 441 CA SER A 28 7.250 9.396 -2.605 1.00 0.00 C ATOM 442 C SER A 28 7.857 10.756 -2.249 1.00 0.00 C ATOM 443 O SER A 28 7.246 11.565 -1.577 1.00 0.00 O ATOM 444 CB SER A 28 6.157 9.558 -3.660 1.00 0.00 C ATOM 445 OG SER A 28 4.993 10.100 -3.051 1.00 0.00 O ATOM 0 H SER A 28 5.623 9.171 -1.240 1.00 0.00 H new ATOM 0 HA SER A 28 8.067 8.767 -2.958 1.00 0.00 H new ATOM 0 HB2 SER A 28 6.502 10.214 -4.460 1.00 0.00 H new ATOM 0 HB3 SER A 28 5.928 8.594 -4.114 1.00 0.00 H new ATOM 0 HG SER A 28 4.290 10.207 -3.726 1.00 0.00 H new ATOM 451 N ARG A 29 9.054 11.015 -2.698 1.00 0.00 N ATOM 452 CA ARG A 29 9.702 12.321 -2.387 1.00 0.00 C ATOM 453 C ARG A 29 11.008 12.464 -3.175 1.00 0.00 C ATOM 454 O ARG A 29 11.258 11.738 -4.116 1.00 0.00 O ATOM 455 CB ARG A 29 9.982 12.277 -0.886 1.00 0.00 C ATOM 456 CG ARG A 29 10.874 11.074 -0.567 1.00 0.00 C ATOM 457 CD ARG A 29 10.077 10.051 0.244 1.00 0.00 C ATOM 458 NE ARG A 29 11.074 9.023 0.656 1.00 0.00 N ATOM 459 CZ ARG A 29 11.676 9.122 1.810 1.00 0.00 C ATOM 460 NH1 ARG A 29 12.734 9.876 1.932 1.00 0.00 N ATOM 461 NH2 ARG A 29 11.221 8.465 2.843 1.00 0.00 N ATOM 0 H ARG A 29 9.612 10.379 -3.267 1.00 0.00 H new ATOM 0 HA ARG A 29 9.074 13.169 -2.658 1.00 0.00 H new ATOM 0 HB2 ARG A 29 10.470 13.199 -0.569 1.00 0.00 H new ATOM 0 HB3 ARG A 29 9.046 12.206 -0.333 1.00 0.00 H new ATOM 0 HG2 ARG A 29 11.236 10.621 -1.490 1.00 0.00 H new ATOM 0 HG3 ARG A 29 11.751 11.396 -0.005 1.00 0.00 H new ATOM 0 HD2 ARG A 29 9.607 10.515 1.111 1.00 0.00 H new ATOM 0 HD3 ARG A 29 9.279 9.610 -0.353 1.00 0.00 H new ATOM 0 HE ARG A 29 11.286 8.241 0.036 1.00 0.00 H new ATOM 0 HH11 ARG A 29 13.091 10.388 1.125 1.00 0.00 H new ATOM 0 HH12 ARG A 29 13.204 9.953 2.834 1.00 0.00 H new ATOM 0 HH21 ARG A 29 10.395 7.874 2.748 1.00 0.00 H new ATOM 0 HH22 ARG A 29 11.692 8.543 3.745 1.00 0.00 H new ATOM 475 N SER A 30 11.843 13.391 -2.793 1.00 0.00 N ATOM 476 CA SER A 30 13.132 13.574 -3.519 1.00 0.00 C ATOM 477 C SER A 30 14.311 13.344 -2.570 1.00 0.00 C ATOM 478 O SER A 30 15.382 13.888 -2.751 1.00 0.00 O ATOM 479 CB SER A 30 13.110 15.023 -4.004 1.00 0.00 C ATOM 480 OG SER A 30 12.811 15.880 -2.911 1.00 0.00 O ATOM 0 H SER A 30 11.689 14.028 -2.012 1.00 0.00 H new ATOM 0 HA SER A 30 13.246 12.869 -4.343 1.00 0.00 H new ATOM 0 HB2 SER A 30 14.075 15.289 -4.436 1.00 0.00 H new ATOM 0 HB3 SER A 30 12.365 15.144 -4.790 1.00 0.00 H new ATOM 0 HG SER A 30 12.798 16.810 -3.219 1.00 0.00 H new ATOM 486 N THR A 31 14.122 12.539 -1.560 1.00 0.00 N ATOM 487 CA THR A 31 15.231 12.271 -0.601 1.00 0.00 C ATOM 488 C THR A 31 15.399 10.763 -0.404 1.00 0.00 C ATOM 489 O THR A 31 15.809 10.305 0.645 1.00 0.00 O ATOM 490 CB THR A 31 14.796 12.936 0.707 1.00 0.00 C ATOM 491 OG1 THR A 31 13.394 12.780 0.871 1.00 0.00 O ATOM 492 CG2 THR A 31 15.147 14.424 0.666 1.00 0.00 C ATOM 0 H THR A 31 13.247 12.055 -1.358 1.00 0.00 H new ATOM 0 HA THR A 31 16.187 12.657 -0.955 1.00 0.00 H new ATOM 0 HB THR A 31 15.314 12.468 1.544 1.00 0.00 H new ATOM 0 HG1 THR A 31 13.114 13.204 1.709 1.00 0.00 H new ATOM 0 HG21 THR A 31 14.837 14.897 1.598 1.00 0.00 H new ATOM 0 HG22 THR A 31 16.223 14.541 0.541 1.00 0.00 H new ATOM 0 HG23 THR A 31 14.631 14.897 -0.170 1.00 0.00 H new ATOM 500 N CYS A 32 15.087 9.989 -1.407 1.00 0.00 N ATOM 501 CA CYS A 32 15.227 8.510 -1.279 1.00 0.00 C ATOM 502 C CYS A 32 15.526 7.888 -2.646 1.00 0.00 C ATOM 503 O CYS A 32 14.847 8.149 -3.619 1.00 0.00 O ATOM 504 CB CYS A 32 13.873 8.033 -0.755 1.00 0.00 C ATOM 505 SG CYS A 32 14.112 7.071 0.759 1.00 0.00 S ATOM 0 H CYS A 32 14.741 10.316 -2.309 1.00 0.00 H new ATOM 0 HA CYS A 32 16.044 8.225 -0.617 1.00 0.00 H new ATOM 0 HB2 CYS A 32 13.227 8.888 -0.556 1.00 0.00 H new ATOM 0 HB3 CYS A 32 13.374 7.425 -1.509 1.00 0.00 H new ATOM 510 N LEU A 33 16.536 7.066 -2.726 1.00 0.00 N ATOM 511 CA LEU A 33 16.878 6.432 -4.031 1.00 0.00 C ATOM 512 C LEU A 33 15.816 5.399 -4.420 1.00 0.00 C ATOM 513 O LEU A 33 15.603 5.121 -5.583 1.00 0.00 O ATOM 514 CB LEU A 33 18.229 5.753 -3.801 1.00 0.00 C ATOM 515 CG LEU A 33 19.222 6.211 -4.870 1.00 0.00 C ATOM 516 CD1 LEU A 33 19.370 7.734 -4.818 1.00 0.00 C ATOM 517 CD2 LEU A 33 20.581 5.561 -4.613 1.00 0.00 C ATOM 0 H LEU A 33 17.139 6.806 -1.945 1.00 0.00 H new ATOM 0 HA LEU A 33 16.919 7.160 -4.841 1.00 0.00 H new ATOM 0 HB2 LEU A 33 18.607 6.000 -2.809 1.00 0.00 H new ATOM 0 HB3 LEU A 33 18.114 4.670 -3.837 1.00 0.00 H new ATOM 0 HG LEU A 33 18.855 5.917 -5.853 1.00 0.00 H new ATOM 0 HD11 LEU A 33 20.078 8.057 -5.581 1.00 0.00 H new ATOM 0 HD12 LEU A 33 18.402 8.200 -5.001 1.00 0.00 H new ATOM 0 HD13 LEU A 33 19.735 8.031 -3.835 1.00 0.00 H new ATOM 0 HD21 LEU A 33 21.290 5.887 -5.374 1.00 0.00 H new ATOM 0 HD22 LEU A 33 20.945 5.856 -3.629 1.00 0.00 H new ATOM 0 HD23 LEU A 33 20.479 4.477 -4.652 1.00 0.00 H new ATOM 529 N LYS A 34 15.147 4.829 -3.455 1.00 0.00 N ATOM 530 CA LYS A 34 14.098 3.817 -3.775 1.00 0.00 C ATOM 531 C LYS A 34 12.706 4.414 -3.551 1.00 0.00 C ATOM 532 O LYS A 34 12.395 4.900 -2.482 1.00 0.00 O ATOM 533 CB LYS A 34 14.350 2.665 -2.802 1.00 0.00 C ATOM 534 CG LYS A 34 13.539 1.442 -3.239 1.00 0.00 C ATOM 535 CD LYS A 34 14.157 0.179 -2.636 1.00 0.00 C ATOM 536 CE LYS A 34 13.675 -1.047 -3.417 1.00 0.00 C ATOM 537 NZ LYS A 34 14.612 -1.164 -4.569 1.00 0.00 N ATOM 0 H LYS A 34 15.280 5.019 -2.462 1.00 0.00 H new ATOM 0 HA LYS A 34 14.141 3.489 -4.814 1.00 0.00 H new ATOM 0 HB2 LYS A 34 15.412 2.421 -2.778 1.00 0.00 H new ATOM 0 HB3 LYS A 34 14.068 2.960 -1.791 1.00 0.00 H new ATOM 0 HG2 LYS A 34 12.503 1.544 -2.914 1.00 0.00 H new ATOM 0 HG3 LYS A 34 13.526 1.370 -4.327 1.00 0.00 H new ATOM 0 HD2 LYS A 34 15.245 0.241 -2.671 1.00 0.00 H new ATOM 0 HD3 LYS A 34 13.876 0.089 -1.587 1.00 0.00 H new ATOM 0 HE2 LYS A 34 13.698 -1.943 -2.797 1.00 0.00 H new ATOM 0 HE3 LYS A 34 12.647 -0.920 -3.756 1.00 0.00 H new ATOM 0 HZ1 LYS A 34 14.142 -1.667 -5.349 1.00 0.00 H new ATOM 0 HZ2 LYS A 34 14.891 -0.214 -4.888 1.00 0.00 H new ATOM 0 HZ3 LYS A 34 15.458 -1.693 -4.276 1.00 0.00 H new ATOM 551 N ALA A 35 11.867 4.383 -4.550 1.00 0.00 N ATOM 552 CA ALA A 35 10.499 4.953 -4.389 1.00 0.00 C ATOM 553 C ALA A 35 9.436 3.870 -4.591 1.00 0.00 C ATOM 554 O ALA A 35 9.239 3.374 -5.682 1.00 0.00 O ATOM 555 CB ALA A 35 10.381 6.021 -5.476 1.00 0.00 C ATOM 0 H ALA A 35 12.069 3.989 -5.469 1.00 0.00 H new ATOM 0 HA ALA A 35 10.346 5.363 -3.391 1.00 0.00 H new ATOM 0 HB1 ALA A 35 9.398 6.488 -5.422 1.00 0.00 H new ATOM 0 HB2 ALA A 35 11.151 6.778 -5.327 1.00 0.00 H new ATOM 0 HB3 ALA A 35 10.510 5.560 -6.455 1.00 0.00 H new ATOM 561 N GLY A 36 8.743 3.507 -3.547 1.00 0.00 N ATOM 562 CA GLY A 36 7.685 2.464 -3.677 1.00 0.00 C ATOM 563 C GLY A 36 6.592 2.744 -2.648 1.00 0.00 C ATOM 564 O GLY A 36 6.677 3.684 -1.883 1.00 0.00 O ATOM 0 H GLY A 36 8.863 3.888 -2.608 1.00 0.00 H new ATOM 0 HA2 GLY A 36 7.267 2.473 -4.684 1.00 0.00 H new ATOM 0 HA3 GLY A 36 8.110 1.473 -3.517 1.00 0.00 H new ATOM 568 N VAL A 37 5.565 1.939 -2.609 1.00 0.00 N ATOM 569 CA VAL A 37 4.484 2.182 -1.616 1.00 0.00 C ATOM 570 C VAL A 37 4.627 1.203 -0.453 1.00 0.00 C ATOM 571 O VAL A 37 5.365 0.242 -0.530 1.00 0.00 O ATOM 572 CB VAL A 37 3.180 1.932 -2.366 1.00 0.00 C ATOM 573 CG1 VAL A 37 2.001 2.313 -1.469 1.00 0.00 C ATOM 574 CG2 VAL A 37 3.151 2.787 -3.633 1.00 0.00 C ATOM 0 H VAL A 37 5.429 1.131 -3.217 1.00 0.00 H new ATOM 0 HA VAL A 37 4.520 3.190 -1.202 1.00 0.00 H new ATOM 0 HB VAL A 37 3.109 0.878 -2.636 1.00 0.00 H new ATOM 0 HG11 VAL A 37 1.067 2.136 -2.001 1.00 0.00 H new ATOM 0 HG12 VAL A 37 2.023 1.708 -0.563 1.00 0.00 H new ATOM 0 HG13 VAL A 37 2.072 3.368 -1.203 1.00 0.00 H new ATOM 0 HG21 VAL A 37 2.219 2.610 -4.170 1.00 0.00 H new ATOM 0 HG22 VAL A 37 3.219 3.841 -3.362 1.00 0.00 H new ATOM 0 HG23 VAL A 37 3.994 2.521 -4.271 1.00 0.00 H new ATOM 584 N ILE A 38 3.929 1.430 0.622 1.00 0.00 N ATOM 585 CA ILE A 38 4.033 0.496 1.775 1.00 0.00 C ATOM 586 C ILE A 38 2.662 -0.094 2.095 1.00 0.00 C ATOM 587 O ILE A 38 1.747 0.612 2.464 1.00 0.00 O ATOM 588 CB ILE A 38 4.539 1.342 2.943 1.00 0.00 C ATOM 589 CG1 ILE A 38 5.966 1.811 2.646 1.00 0.00 C ATOM 590 CG2 ILE A 38 4.537 0.491 4.216 1.00 0.00 C ATOM 591 CD1 ILE A 38 5.930 3.192 1.983 1.00 0.00 C ATOM 0 H ILE A 38 3.294 2.217 0.752 1.00 0.00 H new ATOM 0 HA ILE A 38 4.702 -0.339 1.566 1.00 0.00 H new ATOM 0 HB ILE A 38 3.892 2.208 3.080 1.00 0.00 H new ATOM 0 HG12 ILE A 38 6.544 1.855 3.569 1.00 0.00 H new ATOM 0 HG13 ILE A 38 6.465 1.096 1.992 1.00 0.00 H new ATOM 0 HG21 ILE A 38 4.897 1.088 5.054 1.00 0.00 H new ATOM 0 HG22 ILE A 38 3.523 0.149 4.423 1.00 0.00 H new ATOM 0 HG23 ILE A 38 5.190 -0.371 4.078 1.00 0.00 H new ATOM 0 HD11 ILE A 38 6.948 3.522 1.774 1.00 0.00 H new ATOM 0 HD12 ILE A 38 5.368 3.133 1.051 1.00 0.00 H new ATOM 0 HD13 ILE A 38 5.448 3.905 2.653 1.00 0.00 H new ATOM 603 N PHE A 39 2.511 -1.382 1.959 1.00 0.00 N ATOM 604 CA PHE A 39 1.191 -1.999 2.256 1.00 0.00 C ATOM 605 C PHE A 39 1.250 -2.815 3.544 1.00 0.00 C ATOM 606 O PHE A 39 2.233 -3.461 3.843 1.00 0.00 O ATOM 607 CB PHE A 39 0.890 -2.903 1.067 1.00 0.00 C ATOM 608 CG PHE A 39 0.347 -2.068 -0.061 1.00 0.00 C ATOM 609 CD1 PHE A 39 1.215 -1.298 -0.843 1.00 0.00 C ATOM 610 CD2 PHE A 39 -1.024 -2.064 -0.329 1.00 0.00 C ATOM 611 CE1 PHE A 39 0.710 -0.525 -1.892 1.00 0.00 C ATOM 612 CE2 PHE A 39 -1.530 -1.291 -1.377 1.00 0.00 C ATOM 613 CZ PHE A 39 -0.665 -0.521 -2.158 1.00 0.00 C ATOM 0 H PHE A 39 3.239 -2.029 1.657 1.00 0.00 H new ATOM 0 HA PHE A 39 0.419 -1.243 2.400 1.00 0.00 H new ATOM 0 HB2 PHE A 39 1.795 -3.421 0.750 1.00 0.00 H new ATOM 0 HB3 PHE A 39 0.167 -3.668 1.350 1.00 0.00 H new ATOM 0 HD1 PHE A 39 2.275 -1.301 -0.636 1.00 0.00 H new ATOM 0 HD2 PHE A 39 -1.693 -2.659 0.275 1.00 0.00 H new ATOM 0 HE1 PHE A 39 1.379 0.069 -2.497 1.00 0.00 H new ATOM 0 HE2 PHE A 39 -2.590 -1.289 -1.583 1.00 0.00 H new ATOM 0 HZ PHE A 39 -1.057 0.078 -2.967 1.00 0.00 H new ATOM 623 N THR A 40 0.194 -2.787 4.303 1.00 0.00 N ATOM 624 CA THR A 40 0.167 -3.554 5.570 1.00 0.00 C ATOM 625 C THR A 40 -0.901 -4.649 5.487 1.00 0.00 C ATOM 626 O THR A 40 -1.903 -4.504 4.818 1.00 0.00 O ATOM 627 CB THR A 40 -0.190 -2.520 6.643 1.00 0.00 C ATOM 628 OG1 THR A 40 0.915 -1.649 6.841 1.00 0.00 O ATOM 629 CG2 THR A 40 -0.526 -3.224 7.962 1.00 0.00 C ATOM 0 H THR A 40 -0.656 -2.262 4.097 1.00 0.00 H new ATOM 0 HA THR A 40 1.113 -4.050 5.787 1.00 0.00 H new ATOM 0 HB THR A 40 -1.058 -1.948 6.314 1.00 0.00 H new ATOM 0 HG1 THR A 40 1.296 -1.801 7.731 1.00 0.00 H new ATOM 0 HG21 THR A 40 -0.778 -2.480 8.718 1.00 0.00 H new ATOM 0 HG22 THR A 40 -1.375 -3.891 7.812 1.00 0.00 H new ATOM 0 HG23 THR A 40 0.336 -3.802 8.296 1.00 0.00 H new ATOM 637 N THR A 41 -0.692 -5.741 6.165 1.00 0.00 N ATOM 638 CA THR A 41 -1.693 -6.838 6.133 1.00 0.00 C ATOM 639 C THR A 41 -2.627 -6.726 7.343 1.00 0.00 C ATOM 640 O THR A 41 -2.372 -5.977 8.267 1.00 0.00 O ATOM 641 CB THR A 41 -0.873 -8.126 6.209 1.00 0.00 C ATOM 642 OG1 THR A 41 0.308 -7.981 5.433 1.00 0.00 O ATOM 643 CG2 THR A 41 -1.703 -9.286 5.668 1.00 0.00 C ATOM 0 H THR A 41 0.131 -5.920 6.741 1.00 0.00 H new ATOM 0 HA THR A 41 -2.317 -6.806 5.240 1.00 0.00 H new ATOM 0 HB THR A 41 -0.601 -8.327 7.245 1.00 0.00 H new ATOM 0 HG1 THR A 41 0.754 -8.850 5.351 1.00 0.00 H new ATOM 0 HG21 THR A 41 -1.121 -10.206 5.721 1.00 0.00 H new ATOM 0 HG22 THR A 41 -2.609 -9.395 6.265 1.00 0.00 H new ATOM 0 HG23 THR A 41 -1.974 -9.087 4.631 1.00 0.00 H new ATOM 651 N LYS A 42 -3.704 -7.463 7.347 1.00 0.00 N ATOM 652 CA LYS A 42 -4.650 -7.397 8.498 1.00 0.00 C ATOM 653 C LYS A 42 -4.012 -8.012 9.746 1.00 0.00 C ATOM 654 O LYS A 42 -4.373 -7.696 10.862 1.00 0.00 O ATOM 655 CB LYS A 42 -5.863 -8.218 8.061 1.00 0.00 C ATOM 656 CG LYS A 42 -7.143 -7.444 8.375 1.00 0.00 C ATOM 657 CD LYS A 42 -8.018 -8.264 9.324 1.00 0.00 C ATOM 658 CE LYS A 42 -9.190 -8.867 8.548 1.00 0.00 C ATOM 659 NZ LYS A 42 -10.211 -9.185 9.584 1.00 0.00 N ATOM 0 H LYS A 42 -3.970 -8.108 6.603 1.00 0.00 H new ATOM 0 HA LYS A 42 -4.919 -6.371 8.751 1.00 0.00 H new ATOM 0 HB2 LYS A 42 -5.806 -8.430 6.993 1.00 0.00 H new ATOM 0 HB3 LYS A 42 -5.870 -9.178 8.577 1.00 0.00 H new ATOM 0 HG2 LYS A 42 -6.897 -6.484 8.829 1.00 0.00 H new ATOM 0 HG3 LYS A 42 -7.687 -7.232 7.455 1.00 0.00 H new ATOM 0 HD2 LYS A 42 -7.428 -9.056 9.786 1.00 0.00 H new ATOM 0 HD3 LYS A 42 -8.389 -7.632 10.130 1.00 0.00 H new ATOM 0 HE2 LYS A 42 -9.580 -8.164 7.812 1.00 0.00 H new ATOM 0 HE3 LYS A 42 -8.886 -9.762 8.005 1.00 0.00 H new ATOM 0 HZ1 LYS A 42 -11.048 -9.603 9.130 1.00 0.00 H new ATOM 0 HZ2 LYS A 42 -9.814 -9.861 10.267 1.00 0.00 H new ATOM 0 HZ3 LYS A 42 -10.486 -8.313 10.080 1.00 0.00 H new ATOM 673 N LYS A 43 -3.062 -8.888 9.565 1.00 0.00 N ATOM 674 CA LYS A 43 -2.400 -9.527 10.739 1.00 0.00 C ATOM 675 C LYS A 43 -1.492 -8.517 11.448 1.00 0.00 C ATOM 676 O LYS A 43 -1.190 -8.653 12.617 1.00 0.00 O ATOM 677 CB LYS A 43 -1.574 -10.672 10.155 1.00 0.00 C ATOM 678 CG LYS A 43 -1.302 -11.716 11.241 1.00 0.00 C ATOM 679 CD LYS A 43 0.042 -12.392 10.971 1.00 0.00 C ATOM 680 CE LYS A 43 0.046 -13.789 11.598 1.00 0.00 C ATOM 681 NZ LYS A 43 1.418 -13.959 12.151 1.00 0.00 N ATOM 0 H LYS A 43 -2.715 -9.189 8.654 1.00 0.00 H new ATOM 0 HA LYS A 43 -3.120 -9.880 11.477 1.00 0.00 H new ATOM 0 HB2 LYS A 43 -2.107 -11.130 9.322 1.00 0.00 H new ATOM 0 HB3 LYS A 43 -0.633 -10.290 9.760 1.00 0.00 H new ATOM 0 HG2 LYS A 43 -1.292 -11.242 12.222 1.00 0.00 H new ATOM 0 HG3 LYS A 43 -2.099 -12.459 11.254 1.00 0.00 H new ATOM 0 HD2 LYS A 43 0.216 -12.463 9.897 1.00 0.00 H new ATOM 0 HD3 LYS A 43 0.852 -11.793 11.386 1.00 0.00 H new ATOM 0 HE2 LYS A 43 -0.708 -13.873 12.381 1.00 0.00 H new ATOM 0 HE3 LYS A 43 -0.178 -14.555 10.856 1.00 0.00 H new ATOM 0 HZ1 LYS A 43 1.499 -14.895 12.598 1.00 0.00 H new ATOM 0 HZ2 LYS A 43 2.114 -13.881 11.382 1.00 0.00 H new ATOM 0 HZ3 LYS A 43 1.601 -13.220 12.860 1.00 0.00 H new ATOM 695 N GLY A 44 -1.053 -7.508 10.748 1.00 0.00 N ATOM 696 CA GLY A 44 -0.166 -6.494 11.379 1.00 0.00 C ATOM 697 C GLY A 44 1.159 -6.396 10.611 1.00 0.00 C ATOM 698 O GLY A 44 2.044 -5.652 10.983 1.00 0.00 O ATOM 0 H GLY A 44 -1.271 -7.343 9.765 1.00 0.00 H new ATOM 0 HA2 GLY A 44 -0.661 -5.523 11.389 1.00 0.00 H new ATOM 0 HA3 GLY A 44 0.026 -6.764 12.417 1.00 0.00 H new ATOM 702 N GLN A 45 1.308 -7.134 9.541 1.00 0.00 N ATOM 703 CA GLN A 45 2.581 -7.068 8.766 1.00 0.00 C ATOM 704 C GLN A 45 2.672 -5.737 8.014 1.00 0.00 C ATOM 705 O GLN A 45 1.722 -4.984 7.952 1.00 0.00 O ATOM 706 CB GLN A 45 2.505 -8.236 7.780 1.00 0.00 C ATOM 707 CG GLN A 45 2.452 -9.556 8.554 1.00 0.00 C ATOM 708 CD GLN A 45 2.514 -10.724 7.567 1.00 0.00 C ATOM 709 OE1 GLN A 45 1.637 -11.566 7.548 1.00 0.00 O ATOM 710 NE2 GLN A 45 3.521 -10.812 6.743 1.00 0.00 N ATOM 0 H GLN A 45 0.606 -7.776 9.173 1.00 0.00 H new ATOM 0 HA GLN A 45 3.460 -7.132 9.408 1.00 0.00 H new ATOM 0 HB2 GLN A 45 1.622 -8.136 7.149 1.00 0.00 H new ATOM 0 HB3 GLN A 45 3.372 -8.224 7.119 1.00 0.00 H new ATOM 0 HG2 GLN A 45 3.284 -9.613 9.256 1.00 0.00 H new ATOM 0 HG3 GLN A 45 1.536 -9.610 9.142 1.00 0.00 H new ATOM 0 HE21 GLN A 45 4.256 -10.105 6.759 1.00 0.00 H new ATOM 0 HE22 GLN A 45 3.573 -11.587 6.082 1.00 0.00 H new ATOM 719 N GLN A 46 3.807 -5.444 7.442 1.00 0.00 N ATOM 720 CA GLN A 46 3.952 -4.161 6.693 1.00 0.00 C ATOM 721 C GLN A 46 5.127 -4.254 5.717 1.00 0.00 C ATOM 722 O GLN A 46 6.276 -4.141 6.096 1.00 0.00 O ATOM 723 CB GLN A 46 4.224 -3.101 7.762 1.00 0.00 C ATOM 724 CG GLN A 46 4.514 -1.758 7.087 1.00 0.00 C ATOM 725 CD GLN A 46 3.807 -0.639 7.852 1.00 0.00 C ATOM 726 OE1 GLN A 46 2.704 -0.818 8.330 1.00 0.00 O ATOM 727 NE2 GLN A 46 4.398 0.516 7.987 1.00 0.00 N ATOM 0 H GLN A 46 4.639 -6.034 7.460 1.00 0.00 H new ATOM 0 HA GLN A 46 3.065 -3.923 6.105 1.00 0.00 H new ATOM 0 HB2 GLN A 46 3.364 -3.009 8.425 1.00 0.00 H new ATOM 0 HB3 GLN A 46 5.071 -3.400 8.379 1.00 0.00 H new ATOM 0 HG2 GLN A 46 5.588 -1.575 7.064 1.00 0.00 H new ATOM 0 HG3 GLN A 46 4.172 -1.778 6.052 1.00 0.00 H new ATOM 0 HE21 GLN A 46 5.324 0.665 7.585 1.00 0.00 H new ATOM 0 HE22 GLN A 46 3.934 1.270 8.494 1.00 0.00 H new ATOM 736 N SER A 47 4.848 -4.459 4.460 1.00 0.00 N ATOM 737 CA SER A 47 5.947 -4.560 3.460 1.00 0.00 C ATOM 738 C SER A 47 5.851 -3.415 2.448 1.00 0.00 C ATOM 739 O SER A 47 4.893 -2.670 2.427 1.00 0.00 O ATOM 740 CB SER A 47 5.725 -5.904 2.771 1.00 0.00 C ATOM 741 OG SER A 47 6.046 -6.953 3.674 1.00 0.00 O ATOM 0 H SER A 47 3.906 -4.561 4.082 1.00 0.00 H new ATOM 0 HA SER A 47 6.933 -4.492 3.919 1.00 0.00 H new ATOM 0 HB2 SER A 47 4.688 -5.992 2.446 1.00 0.00 H new ATOM 0 HB3 SER A 47 6.346 -5.975 1.878 1.00 0.00 H new ATOM 0 HG SER A 47 5.903 -7.818 3.235 1.00 0.00 H new ATOM 747 N CYS A 48 6.838 -3.273 1.607 1.00 0.00 N ATOM 748 CA CYS A 48 6.800 -2.179 0.594 1.00 0.00 C ATOM 749 C CYS A 48 6.232 -2.709 -0.727 1.00 0.00 C ATOM 750 O CYS A 48 6.782 -3.608 -1.332 1.00 0.00 O ATOM 751 CB CYS A 48 8.255 -1.748 0.425 1.00 0.00 C ATOM 752 SG CYS A 48 8.781 -0.825 1.891 1.00 0.00 S ATOM 0 H CYS A 48 7.668 -3.865 1.577 1.00 0.00 H new ATOM 0 HA CYS A 48 6.166 -1.347 0.900 1.00 0.00 H new ATOM 0 HB2 CYS A 48 8.891 -2.622 0.284 1.00 0.00 H new ATOM 0 HB3 CYS A 48 8.362 -1.129 -0.466 1.00 0.00 H new ATOM 757 N GLY A 49 5.136 -2.162 -1.177 1.00 0.00 N ATOM 758 CA GLY A 49 4.535 -2.640 -2.452 1.00 0.00 C ATOM 759 C GLY A 49 5.119 -1.862 -3.628 1.00 0.00 C ATOM 760 O GLY A 49 5.459 -0.701 -3.515 1.00 0.00 O ATOM 0 H GLY A 49 4.631 -1.405 -0.716 1.00 0.00 H new ATOM 0 HA2 GLY A 49 4.729 -3.705 -2.578 1.00 0.00 H new ATOM 0 HA3 GLY A 49 3.453 -2.514 -2.423 1.00 0.00 H new ATOM 764 N ASP A 50 5.222 -2.492 -4.761 1.00 0.00 N ATOM 765 CA ASP A 50 5.766 -1.796 -5.958 1.00 0.00 C ATOM 766 C ASP A 50 4.620 -1.072 -6.681 1.00 0.00 C ATOM 767 O ASP A 50 3.606 -1.674 -6.974 1.00 0.00 O ATOM 768 CB ASP A 50 6.351 -2.918 -6.831 1.00 0.00 C ATOM 769 CG ASP A 50 6.681 -2.377 -8.227 1.00 0.00 C ATOM 770 OD1 ASP A 50 6.815 -1.173 -8.359 1.00 0.00 O ATOM 771 OD2 ASP A 50 6.794 -3.179 -9.141 1.00 0.00 O ATOM 0 H ASP A 50 4.952 -3.464 -4.911 1.00 0.00 H new ATOM 0 HA ASP A 50 6.520 -1.047 -5.717 1.00 0.00 H new ATOM 0 HB2 ASP A 50 7.251 -3.321 -6.366 1.00 0.00 H new ATOM 0 HB3 ASP A 50 5.638 -3.739 -6.909 1.00 0.00 H new ATOM 776 N PRO A 51 4.807 0.200 -6.940 1.00 0.00 N ATOM 777 CA PRO A 51 3.751 0.986 -7.628 1.00 0.00 C ATOM 778 C PRO A 51 3.605 0.514 -9.073 1.00 0.00 C ATOM 779 O PRO A 51 2.561 0.647 -9.679 1.00 0.00 O ATOM 780 CB PRO A 51 4.262 2.422 -7.556 1.00 0.00 C ATOM 781 CG PRO A 51 5.743 2.291 -7.409 1.00 0.00 C ATOM 782 CD PRO A 51 5.989 1.019 -6.640 1.00 0.00 C ATOM 0 HA PRO A 51 2.765 0.879 -7.176 1.00 0.00 H new ATOM 0 HB2 PRO A 51 4.001 2.981 -8.455 1.00 0.00 H new ATOM 0 HB3 PRO A 51 3.826 2.956 -6.711 1.00 0.00 H new ATOM 0 HG2 PRO A 51 6.227 2.253 -8.385 1.00 0.00 H new ATOM 0 HG3 PRO A 51 6.157 3.150 -6.880 1.00 0.00 H new ATOM 0 HD2 PRO A 51 6.908 0.529 -6.960 1.00 0.00 H new ATOM 0 HD3 PRO A 51 6.084 1.209 -5.571 1.00 0.00 H new ATOM 790 N LYS A 52 4.640 -0.053 -9.627 1.00 0.00 N ATOM 791 CA LYS A 52 4.555 -0.550 -11.026 1.00 0.00 C ATOM 792 C LYS A 52 3.580 -1.730 -11.091 1.00 0.00 C ATOM 793 O LYS A 52 3.031 -2.042 -12.128 1.00 0.00 O ATOM 794 CB LYS A 52 5.970 -1.005 -11.379 1.00 0.00 C ATOM 795 CG LYS A 52 6.480 -0.202 -12.575 1.00 0.00 C ATOM 796 CD LYS A 52 6.151 -0.953 -13.867 1.00 0.00 C ATOM 797 CE LYS A 52 7.165 -0.577 -14.949 1.00 0.00 C ATOM 798 NZ LYS A 52 6.345 -0.170 -16.122 1.00 0.00 N ATOM 0 H LYS A 52 5.541 -0.193 -9.170 1.00 0.00 H new ATOM 0 HA LYS A 52 4.195 0.211 -11.718 1.00 0.00 H new ATOM 0 HB2 LYS A 52 6.632 -0.865 -10.525 1.00 0.00 H new ATOM 0 HB3 LYS A 52 5.973 -2.069 -11.614 1.00 0.00 H new ATOM 0 HG2 LYS A 52 6.019 0.786 -12.588 1.00 0.00 H new ATOM 0 HG3 LYS A 52 7.556 -0.050 -12.493 1.00 0.00 H new ATOM 0 HD2 LYS A 52 6.174 -2.028 -13.691 1.00 0.00 H new ATOM 0 HD3 LYS A 52 5.142 -0.705 -14.197 1.00 0.00 H new ATOM 0 HE2 LYS A 52 7.811 0.236 -14.618 1.00 0.00 H new ATOM 0 HE3 LYS A 52 7.812 -1.420 -15.193 1.00 0.00 H new ATOM 0 HZ1 LYS A 52 6.972 0.102 -16.906 1.00 0.00 H new ATOM 0 HZ2 LYS A 52 5.745 -0.966 -16.419 1.00 0.00 H new ATOM 0 HZ3 LYS A 52 5.744 0.638 -15.862 1.00 0.00 H new ATOM 812 N GLN A 53 3.361 -2.385 -9.980 1.00 0.00 N ATOM 813 CA GLN A 53 2.420 -3.540 -9.968 1.00 0.00 C ATOM 814 C GLN A 53 0.976 -3.038 -10.006 1.00 0.00 C ATOM 815 O GLN A 53 0.702 -1.888 -9.724 1.00 0.00 O ATOM 816 CB GLN A 53 2.700 -4.269 -8.655 1.00 0.00 C ATOM 817 CG GLN A 53 4.110 -4.863 -8.688 1.00 0.00 C ATOM 818 CD GLN A 53 4.092 -6.174 -9.476 1.00 0.00 C ATOM 819 OE1 GLN A 53 3.974 -6.169 -10.685 1.00 0.00 O ATOM 820 NE2 GLN A 53 4.206 -7.307 -8.837 1.00 0.00 N ATOM 0 H GLN A 53 3.794 -2.169 -9.082 1.00 0.00 H new ATOM 0 HA GLN A 53 2.555 -4.193 -10.830 1.00 0.00 H new ATOM 0 HB2 GLN A 53 2.605 -3.579 -7.817 1.00 0.00 H new ATOM 0 HB3 GLN A 53 1.965 -5.059 -8.502 1.00 0.00 H new ATOM 0 HG2 GLN A 53 4.802 -4.159 -9.149 1.00 0.00 H new ATOM 0 HG3 GLN A 53 4.465 -5.041 -7.673 1.00 0.00 H new ATOM 0 HE21 GLN A 53 4.305 -7.312 -7.822 1.00 0.00 H new ATOM 0 HE22 GLN A 53 4.196 -8.187 -9.353 1.00 0.00 H new ATOM 829 N GLU A 54 0.052 -3.882 -10.370 1.00 0.00 N ATOM 830 CA GLU A 54 -1.369 -3.439 -10.443 1.00 0.00 C ATOM 831 C GLU A 54 -2.106 -3.672 -9.119 1.00 0.00 C ATOM 832 O GLU A 54 -3.211 -3.200 -8.947 1.00 0.00 O ATOM 833 CB GLU A 54 -1.989 -4.289 -11.552 1.00 0.00 C ATOM 834 CG GLU A 54 -2.516 -3.379 -12.661 1.00 0.00 C ATOM 835 CD GLU A 54 -4.026 -3.198 -12.495 1.00 0.00 C ATOM 836 OE1 GLU A 54 -4.423 -2.550 -11.542 1.00 0.00 O ATOM 837 OE2 GLU A 54 -4.758 -3.710 -13.325 1.00 0.00 O ATOM 0 H GLU A 54 0.218 -4.857 -10.620 1.00 0.00 H new ATOM 0 HA GLU A 54 -1.441 -2.370 -10.642 1.00 0.00 H new ATOM 0 HB2 GLU A 54 -1.246 -4.977 -11.955 1.00 0.00 H new ATOM 0 HB3 GLU A 54 -2.800 -4.895 -11.149 1.00 0.00 H new ATOM 0 HG2 GLU A 54 -2.016 -2.411 -12.621 1.00 0.00 H new ATOM 0 HG3 GLU A 54 -2.296 -3.811 -13.637 1.00 0.00 H new ATOM 844 N TRP A 55 -1.526 -4.376 -8.173 1.00 0.00 N ATOM 845 CA TRP A 55 -2.257 -4.580 -6.893 1.00 0.00 C ATOM 846 C TRP A 55 -2.079 -3.355 -6.009 1.00 0.00 C ATOM 847 O TRP A 55 -2.955 -3.010 -5.239 1.00 0.00 O ATOM 848 CB TRP A 55 -1.705 -5.861 -6.273 1.00 0.00 C ATOM 849 CG TRP A 55 -0.256 -5.748 -5.940 1.00 0.00 C ATOM 850 CD1 TRP A 55 0.759 -6.142 -6.742 1.00 0.00 C ATOM 851 CD2 TRP A 55 0.355 -5.263 -4.714 1.00 0.00 C ATOM 852 NE1 TRP A 55 1.954 -5.930 -6.081 1.00 0.00 N ATOM 853 CE2 TRP A 55 1.755 -5.394 -4.833 1.00 0.00 C ATOM 854 CE3 TRP A 55 -0.161 -4.728 -3.524 1.00 0.00 C ATOM 855 CZ2 TRP A 55 2.613 -5.017 -3.810 1.00 0.00 C ATOM 856 CZ3 TRP A 55 0.702 -4.340 -2.486 1.00 0.00 C ATOM 857 CH2 TRP A 55 2.088 -4.488 -2.627 1.00 0.00 C ATOM 0 H TRP A 55 -0.603 -4.805 -8.233 1.00 0.00 H new ATOM 0 HA TRP A 55 -3.332 -4.694 -7.034 1.00 0.00 H new ATOM 0 HB2 TRP A 55 -2.266 -6.096 -5.369 1.00 0.00 H new ATOM 0 HB3 TRP A 55 -1.853 -6.690 -6.965 1.00 0.00 H new ATOM 0 HD1 TRP A 55 0.653 -6.554 -7.735 1.00 0.00 H new ATOM 0 HE1 TRP A 55 2.871 -6.145 -6.472 1.00 0.00 H new ATOM 0 HE3 TRP A 55 -1.228 -4.614 -3.405 1.00 0.00 H new ATOM 0 HZ2 TRP A 55 3.681 -5.132 -3.927 1.00 0.00 H new ATOM 0 HZ3 TRP A 55 0.295 -3.926 -1.575 1.00 0.00 H new ATOM 0 HH2 TRP A 55 2.749 -4.194 -1.825 1.00 0.00 H new ATOM 868 N VAL A 56 -0.994 -2.638 -6.160 1.00 0.00 N ATOM 869 CA VAL A 56 -0.856 -1.389 -5.369 1.00 0.00 C ATOM 870 C VAL A 56 -1.883 -0.423 -5.942 1.00 0.00 C ATOM 871 O VAL A 56 -2.722 0.102 -5.248 1.00 0.00 O ATOM 872 CB VAL A 56 0.565 -0.869 -5.607 1.00 0.00 C ATOM 873 CG1 VAL A 56 0.692 0.550 -5.038 1.00 0.00 C ATOM 874 CG2 VAL A 56 1.571 -1.779 -4.905 1.00 0.00 C ATOM 0 H VAL A 56 -0.217 -2.860 -6.783 1.00 0.00 H new ATOM 0 HA VAL A 56 -1.017 -1.523 -4.299 1.00 0.00 H new ATOM 0 HB VAL A 56 0.767 -0.858 -6.678 1.00 0.00 H new ATOM 0 HG11 VAL A 56 1.703 0.921 -5.207 1.00 0.00 H new ATOM 0 HG12 VAL A 56 -0.023 1.206 -5.534 1.00 0.00 H new ATOM 0 HG13 VAL A 56 0.486 0.533 -3.968 1.00 0.00 H new ATOM 0 HG21 VAL A 56 2.581 -1.406 -5.077 1.00 0.00 H new ATOM 0 HG22 VAL A 56 1.366 -1.791 -3.835 1.00 0.00 H new ATOM 0 HG23 VAL A 56 1.486 -2.790 -5.302 1.00 0.00 H new ATOM 884 N GLN A 57 -1.838 -0.229 -7.230 1.00 0.00 N ATOM 885 CA GLN A 57 -2.824 0.665 -7.892 1.00 0.00 C ATOM 886 C GLN A 57 -4.236 0.139 -7.624 1.00 0.00 C ATOM 887 O GLN A 57 -5.132 0.885 -7.291 1.00 0.00 O ATOM 888 CB GLN A 57 -2.487 0.580 -9.383 1.00 0.00 C ATOM 889 CG GLN A 57 -2.355 1.993 -9.957 1.00 0.00 C ATOM 890 CD GLN A 57 -2.168 1.912 -11.473 1.00 0.00 C ATOM 891 OE1 GLN A 57 -1.098 2.183 -11.981 1.00 0.00 O ATOM 892 NE2 GLN A 57 -3.172 1.548 -12.223 1.00 0.00 N ATOM 0 H GLN A 57 -1.155 -0.655 -7.856 1.00 0.00 H new ATOM 0 HA GLN A 57 -2.784 1.692 -7.529 1.00 0.00 H new ATOM 0 HB2 GLN A 57 -1.557 0.029 -9.526 1.00 0.00 H new ATOM 0 HB3 GLN A 57 -3.266 0.032 -9.912 1.00 0.00 H new ATOM 0 HG2 GLN A 57 -3.244 2.578 -9.720 1.00 0.00 H new ATOM 0 HG3 GLN A 57 -1.507 2.504 -9.502 1.00 0.00 H new ATOM 0 HE21 GLN A 57 -4.070 1.320 -11.797 1.00 0.00 H new ATOM 0 HE22 GLN A 57 -3.058 1.491 -13.235 1.00 0.00 H new ATOM 901 N ARG A 58 -4.437 -1.147 -7.752 1.00 0.00 N ATOM 902 CA ARG A 58 -5.789 -1.715 -7.483 1.00 0.00 C ATOM 903 C ARG A 58 -6.204 -1.359 -6.058 1.00 0.00 C ATOM 904 O ARG A 58 -7.218 -0.730 -5.831 1.00 0.00 O ATOM 905 CB ARG A 58 -5.627 -3.228 -7.638 1.00 0.00 C ATOM 906 CG ARG A 58 -6.954 -3.920 -7.323 1.00 0.00 C ATOM 907 CD ARG A 58 -6.753 -5.438 -7.333 1.00 0.00 C ATOM 908 NE ARG A 58 -7.483 -5.907 -8.543 1.00 0.00 N ATOM 909 CZ ARG A 58 -7.899 -7.141 -8.617 1.00 0.00 C ATOM 910 NH1 ARG A 58 -8.726 -7.605 -7.721 1.00 0.00 N ATOM 911 NH2 ARG A 58 -7.488 -7.909 -9.587 1.00 0.00 N ATOM 0 H ARG A 58 -3.727 -1.824 -8.030 1.00 0.00 H new ATOM 0 HA ARG A 58 -6.554 -1.328 -8.156 1.00 0.00 H new ATOM 0 HB2 ARG A 58 -5.312 -3.468 -8.653 1.00 0.00 H new ATOM 0 HB3 ARG A 58 -4.848 -3.591 -6.968 1.00 0.00 H new ATOM 0 HG2 ARG A 58 -7.322 -3.598 -6.349 1.00 0.00 H new ATOM 0 HG3 ARG A 58 -7.707 -3.637 -8.058 1.00 0.00 H new ATOM 0 HD2 ARG A 58 -5.695 -5.697 -7.383 1.00 0.00 H new ATOM 0 HD3 ARG A 58 -7.151 -5.896 -6.428 1.00 0.00 H new ATOM 0 HE ARG A 58 -7.658 -5.263 -9.314 1.00 0.00 H new ATOM 0 HH11 ARG A 58 -9.047 -7.003 -6.963 1.00 0.00 H new ATOM 0 HH12 ARG A 58 -9.052 -8.570 -7.779 1.00 0.00 H new ATOM 0 HH21 ARG A 58 -6.842 -7.545 -10.287 1.00 0.00 H new ATOM 0 HH22 ARG A 58 -7.813 -8.874 -9.646 1.00 0.00 H new ATOM 925 N TYR A 59 -5.412 -1.736 -5.091 1.00 0.00 N ATOM 926 CA TYR A 59 -5.746 -1.393 -3.683 1.00 0.00 C ATOM 927 C TYR A 59 -5.872 0.127 -3.562 1.00 0.00 C ATOM 928 O TYR A 59 -6.862 0.656 -3.095 1.00 0.00 O ATOM 929 CB TYR A 59 -4.554 -1.893 -2.854 1.00 0.00 C ATOM 930 CG TYR A 59 -4.391 -3.407 -2.933 1.00 0.00 C ATOM 931 CD1 TYR A 59 -5.263 -4.202 -3.701 1.00 0.00 C ATOM 932 CD2 TYR A 59 -3.354 -4.016 -2.215 1.00 0.00 C ATOM 933 CE1 TYR A 59 -5.089 -5.592 -3.740 1.00 0.00 C ATOM 934 CE2 TYR A 59 -3.186 -5.405 -2.253 1.00 0.00 C ATOM 935 CZ TYR A 59 -4.054 -6.191 -3.017 1.00 0.00 C ATOM 936 OH TYR A 59 -3.895 -7.557 -3.054 1.00 0.00 O ATOM 0 H TYR A 59 -4.550 -2.266 -5.217 1.00 0.00 H new ATOM 0 HA TYR A 59 -6.683 -1.839 -3.349 1.00 0.00 H new ATOM 0 HB2 TYR A 59 -3.641 -1.412 -3.207 1.00 0.00 H new ATOM 0 HB3 TYR A 59 -4.688 -1.598 -1.813 1.00 0.00 H new ATOM 0 HD1 TYR A 59 -6.065 -3.741 -4.259 1.00 0.00 H new ATOM 0 HD2 TYR A 59 -2.680 -3.410 -1.628 1.00 0.00 H new ATOM 0 HE1 TYR A 59 -5.757 -6.202 -4.330 1.00 0.00 H new ATOM 0 HE2 TYR A 59 -2.387 -5.869 -1.693 1.00 0.00 H new ATOM 0 HH TYR A 59 -2.993 -7.773 -3.370 1.00 0.00 H new ATOM 946 N MET A 60 -4.863 0.822 -4.004 1.00 0.00 N ATOM 947 CA MET A 60 -4.871 2.314 -3.958 1.00 0.00 C ATOM 948 C MET A 60 -6.119 2.855 -4.659 1.00 0.00 C ATOM 949 O MET A 60 -6.672 3.867 -4.273 1.00 0.00 O ATOM 950 CB MET A 60 -3.606 2.710 -4.719 1.00 0.00 C ATOM 951 CG MET A 60 -2.394 2.518 -3.805 1.00 0.00 C ATOM 952 SD MET A 60 -0.966 3.358 -4.520 1.00 0.00 S ATOM 953 CE MET A 60 -1.424 5.007 -3.954 1.00 0.00 C ATOM 0 H MET A 60 -4.017 0.414 -4.403 1.00 0.00 H new ATOM 0 HA MET A 60 -4.889 2.712 -2.943 1.00 0.00 H new ATOM 0 HB2 MET A 60 -3.501 2.101 -5.617 1.00 0.00 H new ATOM 0 HB3 MET A 60 -3.672 3.748 -5.044 1.00 0.00 H new ATOM 0 HG2 MET A 60 -2.606 2.917 -2.813 1.00 0.00 H new ATOM 0 HG3 MET A 60 -2.181 1.456 -3.682 1.00 0.00 H new ATOM 0 HE1 MET A 60 -1.224 5.731 -4.744 1.00 0.00 H new ATOM 0 HE2 MET A 60 -2.485 5.025 -3.705 1.00 0.00 H new ATOM 0 HE3 MET A 60 -0.840 5.264 -3.070 1.00 0.00 H new ATOM 963 N LYS A 61 -6.570 2.184 -5.684 1.00 0.00 N ATOM 964 CA LYS A 61 -7.788 2.650 -6.406 1.00 0.00 C ATOM 965 C LYS A 61 -9.013 2.467 -5.512 1.00 0.00 C ATOM 966 O LYS A 61 -9.807 3.370 -5.336 1.00 0.00 O ATOM 967 CB LYS A 61 -7.882 1.753 -7.643 1.00 0.00 C ATOM 968 CG LYS A 61 -6.995 2.318 -8.752 1.00 0.00 C ATOM 969 CD LYS A 61 -7.826 3.231 -9.657 1.00 0.00 C ATOM 970 CE LYS A 61 -7.625 2.824 -11.119 1.00 0.00 C ATOM 971 NZ LYS A 61 -7.123 4.049 -11.794 1.00 0.00 N ATOM 0 H LYS A 61 -6.147 1.332 -6.053 1.00 0.00 H new ATOM 0 HA LYS A 61 -7.740 3.705 -6.677 1.00 0.00 H new ATOM 0 HB2 LYS A 61 -7.570 0.739 -7.394 1.00 0.00 H new ATOM 0 HB3 LYS A 61 -8.915 1.694 -7.984 1.00 0.00 H new ATOM 0 HG2 LYS A 61 -6.165 2.876 -8.319 1.00 0.00 H new ATOM 0 HG3 LYS A 61 -6.563 1.505 -9.336 1.00 0.00 H new ATOM 0 HD2 LYS A 61 -8.881 3.161 -9.391 1.00 0.00 H new ATOM 0 HD3 LYS A 61 -7.529 4.270 -9.514 1.00 0.00 H new ATOM 0 HE2 LYS A 61 -6.911 2.005 -11.206 1.00 0.00 H new ATOM 0 HE3 LYS A 61 -8.559 2.482 -11.565 1.00 0.00 H new ATOM 0 HZ1 LYS A 61 -6.961 3.849 -12.802 1.00 0.00 H new ATOM 0 HZ2 LYS A 61 -7.826 4.810 -11.701 1.00 0.00 H new ATOM 0 HZ3 LYS A 61 -6.230 4.347 -11.353 1.00 0.00 H new ATOM 985 N ASN A 62 -9.164 1.307 -4.934 1.00 0.00 N ATOM 986 CA ASN A 62 -10.327 1.069 -4.033 1.00 0.00 C ATOM 987 C ASN A 62 -10.142 1.868 -2.741 1.00 0.00 C ATOM 988 O ASN A 62 -11.090 2.196 -2.057 1.00 0.00 O ATOM 989 CB ASN A 62 -10.304 -0.433 -3.746 1.00 0.00 C ATOM 990 CG ASN A 62 -10.624 -1.204 -5.028 1.00 0.00 C ATOM 991 OD1 ASN A 62 -11.245 -0.676 -5.928 1.00 0.00 O ATOM 992 ND2 ASN A 62 -10.226 -2.440 -5.147 1.00 0.00 N ATOM 0 H ASN A 62 -8.533 0.514 -5.047 1.00 0.00 H new ATOM 0 HA ASN A 62 -11.274 1.379 -4.475 1.00 0.00 H new ATOM 0 HB2 ASN A 62 -9.325 -0.726 -3.368 1.00 0.00 H new ATOM 0 HB3 ASN A 62 -11.031 -0.677 -2.972 1.00 0.00 H new ATOM 0 HD21 ASN A 62 -10.436 -2.964 -5.997 1.00 0.00 H new ATOM 0 HD22 ASN A 62 -9.704 -2.883 -4.391 1.00 0.00 H new ATOM 999 N LEU A 63 -8.920 2.184 -2.411 1.00 0.00 N ATOM 1000 CA LEU A 63 -8.648 2.964 -1.172 1.00 0.00 C ATOM 1001 C LEU A 63 -8.960 4.446 -1.403 1.00 0.00 C ATOM 1002 O LEU A 63 -9.347 5.159 -0.499 1.00 0.00 O ATOM 1003 CB LEU A 63 -7.155 2.757 -0.910 1.00 0.00 C ATOM 1004 CG LEU A 63 -6.955 1.475 -0.100 1.00 0.00 C ATOM 1005 CD1 LEU A 63 -5.617 0.835 -0.480 1.00 0.00 C ATOM 1006 CD2 LEU A 63 -6.954 1.807 1.393 1.00 0.00 C ATOM 0 H LEU A 63 -8.092 1.933 -2.951 1.00 0.00 H new ATOM 0 HA LEU A 63 -9.260 2.644 -0.329 1.00 0.00 H new ATOM 0 HB2 LEU A 63 -6.614 2.692 -1.854 1.00 0.00 H new ATOM 0 HB3 LEU A 63 -6.748 3.610 -0.368 1.00 0.00 H new ATOM 0 HG LEU A 63 -7.766 0.780 -0.316 1.00 0.00 H new ATOM 0 HD11 LEU A 63 -5.474 -0.079 0.097 1.00 0.00 H new ATOM 0 HD12 LEU A 63 -5.617 0.596 -1.544 1.00 0.00 H new ATOM 0 HD13 LEU A 63 -4.806 1.531 -0.264 1.00 0.00 H new ATOM 0 HD21 LEU A 63 -6.811 0.893 1.969 1.00 0.00 H new ATOM 0 HD22 LEU A 63 -6.144 2.503 1.610 1.00 0.00 H new ATOM 0 HD23 LEU A 63 -7.906 2.262 1.665 1.00 0.00 H new ATOM 1018 N ASP A 64 -8.794 4.908 -2.611 1.00 0.00 N ATOM 1019 CA ASP A 64 -9.081 6.342 -2.907 1.00 0.00 C ATOM 1020 C ASP A 64 -10.586 6.556 -3.085 1.00 0.00 C ATOM 1021 O ASP A 64 -11.100 7.638 -2.877 1.00 0.00 O ATOM 1022 CB ASP A 64 -8.340 6.630 -4.214 1.00 0.00 C ATOM 1023 CG ASP A 64 -7.300 7.728 -3.981 1.00 0.00 C ATOM 1024 OD1 ASP A 64 -7.509 8.535 -3.089 1.00 0.00 O ATOM 1025 OD2 ASP A 64 -6.314 7.743 -4.699 1.00 0.00 O ATOM 0 H ASP A 64 -8.472 4.356 -3.406 1.00 0.00 H new ATOM 0 HA ASP A 64 -8.761 7.003 -2.101 1.00 0.00 H new ATOM 0 HB2 ASP A 64 -7.853 5.724 -4.575 1.00 0.00 H new ATOM 0 HB3 ASP A 64 -9.046 6.941 -4.984 1.00 0.00 H new ATOM 1030 N ALA A 65 -11.300 5.532 -3.470 1.00 0.00 N ATOM 1031 CA ALA A 65 -12.771 5.676 -3.660 1.00 0.00 C ATOM 1032 C ALA A 65 -13.480 5.745 -2.302 1.00 0.00 C ATOM 1033 O ALA A 65 -14.411 6.503 -2.116 1.00 0.00 O ATOM 1034 CB ALA A 65 -13.197 4.422 -4.423 1.00 0.00 C ATOM 0 H ALA A 65 -10.927 4.602 -3.661 1.00 0.00 H new ATOM 0 HA ALA A 65 -13.028 6.589 -4.198 1.00 0.00 H new ATOM 0 HB1 ALA A 65 -14.272 4.453 -4.602 1.00 0.00 H new ATOM 0 HB2 ALA A 65 -12.671 4.380 -5.377 1.00 0.00 H new ATOM 0 HB3 ALA A 65 -12.953 3.538 -3.835 1.00 0.00 H new ATOM 1040 N LYS A 66 -13.046 4.960 -1.356 1.00 0.00 N ATOM 1041 CA LYS A 66 -13.696 4.983 -0.014 1.00 0.00 C ATOM 1042 C LYS A 66 -13.140 6.134 0.827 1.00 0.00 C ATOM 1043 O LYS A 66 -13.835 7.077 1.146 1.00 0.00 O ATOM 1044 CB LYS A 66 -13.347 3.637 0.619 1.00 0.00 C ATOM 1045 CG LYS A 66 -14.561 3.105 1.383 1.00 0.00 C ATOM 1046 CD LYS A 66 -15.155 1.914 0.629 1.00 0.00 C ATOM 1047 CE LYS A 66 -16.270 1.285 1.467 1.00 0.00 C ATOM 1048 NZ LYS A 66 -15.805 -0.102 1.745 1.00 0.00 N ATOM 0 H LYS A 66 -12.271 4.304 -1.453 1.00 0.00 H new ATOM 0 HA LYS A 66 -14.773 5.134 -0.081 1.00 0.00 H new ATOM 0 HB2 LYS A 66 -13.049 2.927 -0.152 1.00 0.00 H new ATOM 0 HB3 LYS A 66 -12.499 3.749 1.294 1.00 0.00 H new ATOM 0 HG2 LYS A 66 -14.268 2.803 2.389 1.00 0.00 H new ATOM 0 HG3 LYS A 66 -15.309 3.890 1.491 1.00 0.00 H new ATOM 0 HD2 LYS A 66 -15.549 2.239 -0.334 1.00 0.00 H new ATOM 0 HD3 LYS A 66 -14.379 1.176 0.424 1.00 0.00 H new ATOM 0 HE2 LYS A 66 -16.431 1.840 2.391 1.00 0.00 H new ATOM 0 HE3 LYS A 66 -17.217 1.283 0.927 1.00 0.00 H new ATOM 0 HZ1 LYS A 66 -16.518 -0.599 2.317 1.00 0.00 H new ATOM 0 HZ2 LYS A 66 -15.667 -0.608 0.847 1.00 0.00 H new ATOM 0 HZ3 LYS A 66 -14.905 -0.069 2.266 1.00 0.00 H new ATOM 1062 N GLN A 67 -11.892 6.059 1.190 1.00 0.00 N ATOM 1063 CA GLN A 67 -11.284 7.145 2.012 1.00 0.00 C ATOM 1064 C GLN A 67 -11.518 8.507 1.354 1.00 0.00 C ATOM 1065 O GLN A 67 -12.010 9.429 1.972 1.00 0.00 O ATOM 1066 CB GLN A 67 -9.789 6.818 2.052 1.00 0.00 C ATOM 1067 CG GLN A 67 -9.263 6.983 3.480 1.00 0.00 C ATOM 1068 CD GLN A 67 -9.535 5.705 4.276 1.00 0.00 C ATOM 1069 OE1 GLN A 67 -10.657 5.438 4.654 1.00 0.00 O ATOM 1070 NE2 GLN A 67 -8.546 4.898 4.547 1.00 0.00 N ATOM 0 H GLN A 67 -11.263 5.291 0.953 1.00 0.00 H new ATOM 0 HA GLN A 67 -11.719 7.199 3.010 1.00 0.00 H new ATOM 0 HB2 GLN A 67 -9.621 5.798 1.708 1.00 0.00 H new ATOM 0 HB3 GLN A 67 -9.245 7.477 1.375 1.00 0.00 H new ATOM 0 HG2 GLN A 67 -8.193 7.192 3.463 1.00 0.00 H new ATOM 0 HG3 GLN A 67 -9.747 7.833 3.961 1.00 0.00 H new ATOM 0 HE21 GLN A 67 -7.603 5.122 4.229 1.00 0.00 H new ATOM 0 HE22 GLN A 67 -8.716 4.043 5.076 1.00 0.00 H new ATOM 1079 N LYS A 68 -11.167 8.641 0.103 1.00 0.00 N ATOM 1080 CA LYS A 68 -11.368 9.945 -0.590 1.00 0.00 C ATOM 1081 C LYS A 68 -12.685 9.930 -1.373 1.00 0.00 C ATOM 1082 O LYS A 68 -13.333 8.911 -1.497 1.00 0.00 O ATOM 1083 CB LYS A 68 -10.178 10.083 -1.539 1.00 0.00 C ATOM 1084 CG LYS A 68 -9.128 11.002 -0.912 1.00 0.00 C ATOM 1085 CD LYS A 68 -9.236 12.402 -1.524 1.00 0.00 C ATOM 1086 CE LYS A 68 -7.865 12.845 -2.041 1.00 0.00 C ATOM 1087 NZ LYS A 68 -8.055 14.257 -2.465 1.00 0.00 N ATOM 0 H LYS A 68 -10.751 7.905 -0.467 1.00 0.00 H new ATOM 0 HA LYS A 68 -11.425 10.779 0.110 1.00 0.00 H new ATOM 0 HB2 LYS A 68 -9.745 9.103 -1.741 1.00 0.00 H new ATOM 0 HB3 LYS A 68 -10.507 10.489 -2.495 1.00 0.00 H new ATOM 0 HG2 LYS A 68 -9.274 11.054 0.167 1.00 0.00 H new ATOM 0 HG3 LYS A 68 -8.130 10.597 -1.080 1.00 0.00 H new ATOM 0 HD2 LYS A 68 -9.959 12.398 -2.339 1.00 0.00 H new ATOM 0 HD3 LYS A 68 -9.600 13.109 -0.778 1.00 0.00 H new ATOM 0 HE2 LYS A 68 -7.105 12.765 -1.264 1.00 0.00 H new ATOM 0 HE3 LYS A 68 -7.537 12.223 -2.874 1.00 0.00 H new ATOM 0 HZ1 LYS A 68 -7.158 14.633 -2.832 1.00 0.00 H new ATOM 0 HZ2 LYS A 68 -8.780 14.301 -3.210 1.00 0.00 H new ATOM 0 HZ3 LYS A 68 -8.361 14.826 -1.650 1.00 0.00 H new ATOM 1101 N LYS A 69 -13.084 11.056 -1.898 1.00 0.00 N ATOM 1102 CA LYS A 69 -14.359 11.112 -2.671 1.00 0.00 C ATOM 1103 C LYS A 69 -14.075 11.009 -4.172 1.00 0.00 C ATOM 1104 O LYS A 69 -13.055 10.494 -4.587 1.00 0.00 O ATOM 1105 CB LYS A 69 -14.965 12.475 -2.333 1.00 0.00 C ATOM 1106 CG LYS A 69 -16.405 12.290 -1.852 1.00 0.00 C ATOM 1107 CD LYS A 69 -17.012 13.654 -1.521 1.00 0.00 C ATOM 1108 CE LYS A 69 -18.365 13.793 -2.222 1.00 0.00 C ATOM 1109 NZ LYS A 69 -19.332 14.105 -1.133 1.00 0.00 N ATOM 0 H LYS A 69 -12.582 11.941 -1.825 1.00 0.00 H new ATOM 0 HA LYS A 69 -15.031 10.291 -2.419 1.00 0.00 H new ATOM 0 HB2 LYS A 69 -14.373 12.966 -1.561 1.00 0.00 H new ATOM 0 HB3 LYS A 69 -14.944 13.122 -3.210 1.00 0.00 H new ATOM 0 HG2 LYS A 69 -16.996 11.794 -2.622 1.00 0.00 H new ATOM 0 HG3 LYS A 69 -16.426 11.648 -0.972 1.00 0.00 H new ATOM 0 HD2 LYS A 69 -17.136 13.757 -0.443 1.00 0.00 H new ATOM 0 HD3 LYS A 69 -16.341 14.450 -1.842 1.00 0.00 H new ATOM 0 HE2 LYS A 69 -18.343 14.586 -2.969 1.00 0.00 H new ATOM 0 HE3 LYS A 69 -18.637 12.874 -2.741 1.00 0.00 H new ATOM 0 HZ1 LYS A 69 -20.285 14.215 -1.536 1.00 0.00 H new ATOM 0 HZ2 LYS A 69 -19.336 13.330 -0.440 1.00 0.00 H new ATOM 0 HZ3 LYS A 69 -19.051 14.989 -0.662 1.00 0.00 H new ATOM 1123 N ALA A 70 -14.969 11.497 -4.988 1.00 0.00 N ATOM 1124 CA ALA A 70 -14.750 11.428 -6.461 1.00 0.00 C ATOM 1125 C ALA A 70 -15.859 12.184 -7.199 1.00 0.00 C ATOM 1126 O ALA A 70 -16.477 13.081 -6.659 1.00 0.00 O ATOM 1127 CB ALA A 70 -14.797 9.938 -6.802 1.00 0.00 C ATOM 0 H ALA A 70 -15.841 11.940 -4.699 1.00 0.00 H new ATOM 0 HA ALA A 70 -13.805 11.883 -6.758 1.00 0.00 H new ATOM 0 HB1 ALA A 70 -14.643 9.805 -7.873 1.00 0.00 H new ATOM 0 HB2 ALA A 70 -14.013 9.415 -6.255 1.00 0.00 H new ATOM 0 HB3 ALA A 70 -15.768 9.531 -6.522 1.00 0.00 H new ATOM 1133 N SER A 71 -16.115 11.828 -8.427 1.00 0.00 N ATOM 1134 CA SER A 71 -17.185 12.525 -9.197 1.00 0.00 C ATOM 1135 C SER A 71 -17.760 11.592 -10.269 1.00 0.00 C ATOM 1136 O SER A 71 -17.463 11.740 -11.438 1.00 0.00 O ATOM 1137 CB SER A 71 -16.489 13.721 -9.847 1.00 0.00 C ATOM 1138 OG SER A 71 -15.750 14.427 -8.860 1.00 0.00 O ATOM 0 H SER A 71 -15.631 11.085 -8.931 1.00 0.00 H new ATOM 0 HA SER A 71 -18.017 12.831 -8.563 1.00 0.00 H new ATOM 0 HB2 SER A 71 -15.825 13.382 -10.642 1.00 0.00 H new ATOM 0 HB3 SER A 71 -17.226 14.380 -10.307 1.00 0.00 H new ATOM 0 HG SER A 71 -16.183 14.318 -7.987 1.00 0.00 H new ATOM 1144 N PRO A 72 -18.567 10.656 -9.836 1.00 0.00 N ATOM 1145 CA PRO A 72 -19.185 9.694 -10.779 1.00 0.00 C ATOM 1146 C PRO A 72 -20.258 10.382 -11.631 1.00 0.00 C ATOM 1147 O PRO A 72 -20.682 9.865 -12.645 1.00 0.00 O ATOM 1148 CB PRO A 72 -19.807 8.642 -9.869 1.00 0.00 C ATOM 1149 CG PRO A 72 -20.042 9.344 -8.574 1.00 0.00 C ATOM 1150 CD PRO A 72 -18.981 10.405 -8.448 1.00 0.00 C ATOM 0 HA PRO A 72 -18.468 9.271 -11.482 1.00 0.00 H new ATOM 0 HB2 PRO A 72 -20.739 8.260 -10.286 1.00 0.00 H new ATOM 0 HB3 PRO A 72 -19.142 7.788 -9.740 1.00 0.00 H new ATOM 0 HG2 PRO A 72 -21.037 9.789 -8.552 1.00 0.00 H new ATOM 0 HG3 PRO A 72 -19.988 8.644 -7.741 1.00 0.00 H new ATOM 0 HD2 PRO A 72 -19.372 11.307 -7.978 1.00 0.00 H new ATOM 0 HD3 PRO A 72 -18.145 10.064 -7.837 1.00 0.00 H new ATOM 1158 N ARG A 73 -20.704 11.543 -11.229 1.00 0.00 N ATOM 1159 CA ARG A 73 -21.748 12.253 -12.023 1.00 0.00 C ATOM 1160 C ARG A 73 -21.212 13.598 -12.525 1.00 0.00 C ATOM 1161 O ARG A 73 -21.080 13.748 -13.729 1.00 0.00 O ATOM 1162 CB ARG A 73 -22.910 12.467 -11.051 1.00 0.00 C ATOM 1163 CG ARG A 73 -24.210 11.971 -11.686 1.00 0.00 C ATOM 1164 CD ARG A 73 -25.307 13.021 -11.495 1.00 0.00 C ATOM 1165 NE ARG A 73 -26.527 12.417 -12.100 1.00 0.00 N ATOM 1166 CZ ARG A 73 -27.548 13.172 -12.399 1.00 0.00 C ATOM 1167 NH1 ARG A 73 -28.345 13.597 -11.455 1.00 0.00 N ATOM 1168 NH2 ARG A 73 -27.774 13.503 -13.641 1.00 0.00 N ATOM 1169 OXT ARG A 73 -20.945 14.453 -11.696 1.00 0.00 O ATOM 0 H ARG A 73 -20.391 12.028 -10.388 1.00 0.00 H new ATOM 0 HA ARG A 73 -22.052 11.686 -12.903 1.00 0.00 H new ATOM 0 HB2 ARG A 73 -22.721 11.932 -10.120 1.00 0.00 H new ATOM 0 HB3 ARG A 73 -22.997 13.524 -10.800 1.00 0.00 H new ATOM 0 HG2 ARG A 73 -24.058 11.778 -12.748 1.00 0.00 H new ATOM 0 HG3 ARG A 73 -24.512 11.028 -11.231 1.00 0.00 H new ATOM 0 HD2 ARG A 73 -25.459 13.245 -10.439 1.00 0.00 H new ATOM 0 HD3 ARG A 73 -25.046 13.959 -11.986 1.00 0.00 H new ATOM 0 HE ARG A 73 -26.564 11.414 -12.280 1.00 0.00 H new ATOM 0 HH11 ARG A 73 -28.169 13.339 -10.484 1.00 0.00 H new ATOM 0 HH12 ARG A 73 -29.143 14.187 -11.689 1.00 0.00 H new ATOM 0 HH21 ARG A 73 -27.152 13.171 -14.378 1.00 0.00 H new ATOM 0 HH22 ARG A 73 -28.572 14.093 -13.874 1.00 0.00 H new TER 1183 ARG A 73