USER MOD reduce.3.24.130724 H: found=0, std=0, add=628, rem=0, adj=20 USER MOD reduce.3.24.130724 removed 629 hydrogens (4 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 NoAdj-H: A 65 SEP H2 : A 65 SEP N : A 64 GLU C :(H bumps) USER MOD NoAdj-H: A 65 SEP H : A 65 SEP N : A 64 GLU C :(H bumps) USER MOD Set 1.1: A 22 THR OG1 : rot 180:sc= 0.445 USER MOD Set 1.2: A 25 ASN : amide:sc= -0.0593 K(o=0.39,f=-1.6!) USER MOD Set 2.1: A 7 THR OG1 : rot -152:sc= 0.8 USER MOD Set 2.2: A 9 THR OG1 : rot -27:sc= 0.657 USER MOD Single : A 1 MET CE :methyl -168:sc= -0.0587 (180deg=-0.261) USER MOD Single : A 1 MET N :NH3+ 162:sc= 0.934 (180deg=0.0229) USER MOD Single : A 2 GLN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 6 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 11 LYS NZ :NH3+ -164:sc= -0.0257 (180deg=-0.433) USER MOD Single : A 12 THR OG1 : rot 180:sc= 0 USER MOD Single : A 14 THR OG1 : rot -75:sc= 1.85 USER MOD Single : A 20 SER OG : rot 180:sc= 0 USER MOD Single : A 27 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 29 LYS NZ :NH3+ 139:sc= -0.507 (180deg=-2.17!) USER MOD Single : A 31 GLN :FLIP amide:sc= -0.794 F(o=-2.1!,f=-0.79) USER MOD Single : A 33 LYS NZ :NH3+ -116:sc= -0.108 (180deg=-1.13) USER MOD Single : A 40 GLN : amide:sc= -0.794 K(o=-0.79,f=-2.1!) USER MOD Single : A 41 GLN :FLIP amide:sc= -1.35 F(o=-2,f=-1.3) USER MOD Single : A 48 LYS NZ :NH3+ -164:sc= -0.0425 (180deg=-0.38) USER MOD Single : A 49 GLN : amide:sc= 0 X(o=0,f=-0.37) USER MOD Single : A 55 THR OG1 : rot 16:sc= 0.175 USER MOD Single : A 57 SER OG : rot 49:sc= 0.274 USER MOD Single : A 59 TYR OH : rot 180:sc= -0.24 USER MOD Single : A 60 ASN : amide:sc= -0.989 K(o=-0.99,f=-4.6!) USER MOD Single : A 62 GLN :FLIP amide:sc= -0.144 F(o=-0.72,f=-0.14) USER MOD Single : A 63 LYS NZ :NH3+ 171:sc= 0 (180deg=-0.0979) USER MOD Single : A 66 THR OG1 : rot 180:sc= 0 USER MOD Single : A 68 HIS : no HD1:sc= 0 X(o=0,f=0) USER MOD ----------------------------------------------------------------- ATOM 1 N MET A 1 32.472 30.698 2.291 1.00 0.00 N ATOM 2 CA MET A 1 32.371 31.956 3.081 1.00 0.00 C ATOM 3 C MET A 1 33.235 31.835 4.330 1.00 0.00 C ATOM 4 O MET A 1 33.423 30.741 4.863 1.00 0.00 O ATOM 5 CB MET A 1 30.911 32.200 3.476 1.00 0.00 C ATOM 6 CG MET A 1 30.313 30.923 4.074 1.00 0.00 C ATOM 7 SD MET A 1 28.562 31.196 4.450 1.00 0.00 S ATOM 8 CE MET A 1 28.741 31.572 6.213 1.00 0.00 C ATOM 0 H1 MET A 1 31.678 30.644 1.622 1.00 0.00 H new ATOM 0 H2 MET A 1 33.369 30.690 1.765 1.00 0.00 H new ATOM 0 H3 MET A 1 32.440 29.881 2.934 1.00 0.00 H new ATOM 0 HA MET A 1 32.720 32.796 2.480 1.00 0.00 H new ATOM 0 HB2 MET A 1 30.852 33.013 4.199 1.00 0.00 H new ATOM 0 HB3 MET A 1 30.335 32.507 2.603 1.00 0.00 H new ATOM 0 HG2 MET A 1 30.421 30.095 3.373 1.00 0.00 H new ATOM 0 HG3 MET A 1 30.852 30.646 4.980 1.00 0.00 H new ATOM 0 HE1 MET A 1 27.760 31.564 6.688 1.00 0.00 H new ATOM 0 HE2 MET A 1 29.378 30.822 6.682 1.00 0.00 H new ATOM 0 HE3 MET A 1 29.193 32.557 6.331 1.00 0.00 H new ATOM 20 N GLN A 2 33.755 32.969 4.803 1.00 0.00 N ATOM 21 CA GLN A 2 34.598 32.989 5.996 1.00 0.00 C ATOM 22 C GLN A 2 33.941 33.819 7.097 1.00 0.00 C ATOM 23 O GLN A 2 33.103 34.680 6.828 1.00 0.00 O ATOM 24 CB GLN A 2 35.958 33.599 5.648 1.00 0.00 C ATOM 25 CG GLN A 2 36.767 32.613 4.802 1.00 0.00 C ATOM 26 CD GLN A 2 37.990 33.311 4.215 1.00 0.00 C ATOM 27 OE1 GLN A 2 37.861 34.133 3.308 1.00 0.00 O ATOM 28 NE2 GLN A 2 39.176 33.031 4.682 1.00 0.00 N ATOM 0 H GLN A 2 33.606 33.884 4.377 1.00 0.00 H new ATOM 0 HA GLN A 2 34.729 31.967 6.352 1.00 0.00 H new ATOM 0 HB2 GLN A 2 35.819 34.532 5.102 1.00 0.00 H new ATOM 0 HB3 GLN A 2 36.502 33.841 6.561 1.00 0.00 H new ATOM 0 HG2 GLN A 2 37.080 31.767 5.414 1.00 0.00 H new ATOM 0 HG3 GLN A 2 36.146 32.214 4.000 1.00 0.00 H new ATOM 0 HE21 GLN A 2 39.280 32.349 5.434 1.00 0.00 H new ATOM 0 HE22 GLN A 2 39.999 33.494 4.295 1.00 0.00 H new ATOM 37 N ILE A 3 34.352 33.567 8.336 1.00 0.00 N ATOM 38 CA ILE A 3 33.827 34.310 9.481 1.00 0.00 C ATOM 39 C ILE A 3 34.825 34.282 10.623 1.00 0.00 C ATOM 40 O ILE A 3 35.839 33.591 10.558 1.00 0.00 O ATOM 41 CB ILE A 3 32.477 33.749 9.961 1.00 0.00 C ATOM 42 CG1 ILE A 3 32.579 32.220 10.157 1.00 0.00 C ATOM 43 CG2 ILE A 3 31.380 34.095 8.940 1.00 0.00 C ATOM 44 CD1 ILE A 3 31.184 31.587 10.126 1.00 0.00 C ATOM 0 H ILE A 3 35.044 32.857 8.574 1.00 0.00 H new ATOM 0 HA ILE A 3 33.666 35.338 9.156 1.00 0.00 H new ATOM 0 HB ILE A 3 32.217 34.200 10.919 1.00 0.00 H new ATOM 0 HG12 ILE A 3 33.200 31.786 9.373 1.00 0.00 H new ATOM 0 HG13 ILE A 3 33.065 32.000 11.107 1.00 0.00 H new ATOM 0 HG21 ILE A 3 30.425 33.696 9.283 1.00 0.00 H new ATOM 0 HG22 ILE A 3 31.306 35.178 8.839 1.00 0.00 H new ATOM 0 HG23 ILE A 3 31.631 33.656 7.974 1.00 0.00 H new ATOM 0 HD11 ILE A 3 31.270 30.509 10.265 1.00 0.00 H new ATOM 0 HD12 ILE A 3 30.575 32.009 10.926 1.00 0.00 H new ATOM 0 HD13 ILE A 3 30.713 31.792 9.165 1.00 0.00 H new ATOM 56 N PHE A 4 34.531 35.048 11.667 1.00 0.00 N ATOM 57 CA PHE A 4 35.406 35.127 12.835 1.00 0.00 C ATOM 58 C PHE A 4 34.755 34.459 14.037 1.00 0.00 C ATOM 59 O PHE A 4 33.553 34.607 14.265 1.00 0.00 O ATOM 60 CB PHE A 4 35.684 36.592 13.171 1.00 0.00 C ATOM 61 CG PHE A 4 36.455 37.239 12.045 1.00 0.00 C ATOM 62 CD1 PHE A 4 35.775 37.961 11.058 1.00 0.00 C ATOM 63 CD2 PHE A 4 37.849 37.126 11.995 1.00 0.00 C ATOM 64 CE1 PHE A 4 36.489 38.571 10.020 1.00 0.00 C ATOM 65 CE2 PHE A 4 38.563 37.734 10.956 1.00 0.00 C ATOM 66 CZ PHE A 4 37.883 38.457 9.968 1.00 0.00 C ATOM 0 H PHE A 4 33.692 35.625 11.730 1.00 0.00 H new ATOM 0 HA PHE A 4 36.339 34.613 12.602 1.00 0.00 H new ATOM 0 HB2 PHE A 4 34.745 37.122 13.332 1.00 0.00 H new ATOM 0 HB3 PHE A 4 36.252 36.660 14.099 1.00 0.00 H new ATOM 0 HD1 PHE A 4 34.699 38.048 11.097 1.00 0.00 H new ATOM 0 HD2 PHE A 4 38.374 36.570 12.758 1.00 0.00 H new ATOM 0 HE1 PHE A 4 35.964 39.130 9.259 1.00 0.00 H new ATOM 0 HE2 PHE A 4 39.639 37.646 10.916 1.00 0.00 H new ATOM 0 HZ PHE A 4 38.434 38.926 9.166 1.00 0.00 H new ATOM 76 N VAL A 5 35.560 33.738 14.820 1.00 0.00 N ATOM 77 CA VAL A 5 35.067 33.064 16.017 1.00 0.00 C ATOM 78 C VAL A 5 35.736 33.666 17.239 1.00 0.00 C ATOM 79 O VAL A 5 36.961 33.796 17.298 1.00 0.00 O ATOM 80 CB VAL A 5 35.354 31.561 15.938 1.00 0.00 C ATOM 81 CG1 VAL A 5 35.119 30.911 17.309 1.00 0.00 C ATOM 82 CG2 VAL A 5 34.401 30.930 14.921 1.00 0.00 C ATOM 0 H VAL A 5 36.556 33.607 14.644 1.00 0.00 H new ATOM 0 HA VAL A 5 33.988 33.201 16.091 1.00 0.00 H new ATOM 0 HB VAL A 5 36.390 31.405 15.637 1.00 0.00 H new ATOM 0 HG11 VAL A 5 35.325 29.843 17.245 1.00 0.00 H new ATOM 0 HG12 VAL A 5 35.782 31.365 18.045 1.00 0.00 H new ATOM 0 HG13 VAL A 5 34.083 31.063 17.611 1.00 0.00 H new ATOM 0 HG21 VAL A 5 34.595 29.859 14.856 1.00 0.00 H new ATOM 0 HG22 VAL A 5 33.371 31.093 15.238 1.00 0.00 H new ATOM 0 HG23 VAL A 5 34.557 31.387 13.944 1.00 0.00 H new ATOM 92 N LYS A 6 34.913 34.043 18.204 1.00 0.00 N ATOM 93 CA LYS A 6 35.402 34.658 19.439 1.00 0.00 C ATOM 94 C LYS A 6 35.160 33.736 20.628 1.00 0.00 C ATOM 95 O LYS A 6 34.058 33.215 20.802 1.00 0.00 O ATOM 96 CB LYS A 6 34.662 35.977 19.660 1.00 0.00 C ATOM 97 CG LYS A 6 35.156 37.032 18.664 1.00 0.00 C ATOM 98 CD LYS A 6 34.652 38.406 19.105 1.00 0.00 C ATOM 99 CE LYS A 6 34.828 39.412 17.967 1.00 0.00 C ATOM 100 NZ LYS A 6 34.326 40.746 18.406 1.00 0.00 N ATOM 0 H LYS A 6 33.900 33.936 18.161 1.00 0.00 H new ATOM 0 HA LYS A 6 36.474 34.836 19.350 1.00 0.00 H new ATOM 0 HB2 LYS A 6 33.589 35.826 19.539 1.00 0.00 H new ATOM 0 HB3 LYS A 6 34.822 36.326 20.680 1.00 0.00 H new ATOM 0 HG2 LYS A 6 36.245 37.027 18.619 1.00 0.00 H new ATOM 0 HG3 LYS A 6 34.795 36.802 17.662 1.00 0.00 H new ATOM 0 HD2 LYS A 6 33.601 38.344 19.389 1.00 0.00 H new ATOM 0 HD3 LYS A 6 35.201 38.739 19.986 1.00 0.00 H new ATOM 0 HE2 LYS A 6 35.879 39.481 17.686 1.00 0.00 H new ATOM 0 HE3 LYS A 6 34.283 39.078 17.084 1.00 0.00 H new ATOM 0 HZ1 LYS A 6 34.444 41.433 17.634 1.00 0.00 H new ATOM 0 HZ2 LYS A 6 33.318 40.674 18.654 1.00 0.00 H new ATOM 0 HZ3 LYS A 6 34.865 41.063 19.237 1.00 0.00 H new ATOM 114 N THR A 7 36.194 33.541 21.453 1.00 0.00 N ATOM 115 CA THR A 7 36.074 32.679 22.637 1.00 0.00 C ATOM 116 C THR A 7 36.059 33.522 23.911 1.00 0.00 C ATOM 117 O THR A 7 36.113 34.751 23.859 1.00 0.00 O ATOM 118 CB THR A 7 37.237 31.686 22.693 1.00 0.00 C ATOM 119 OG1 THR A 7 38.406 32.354 23.142 1.00 0.00 O ATOM 120 CG2 THR A 7 37.481 31.099 21.302 1.00 0.00 C ATOM 0 H THR A 7 37.114 33.962 21.327 1.00 0.00 H new ATOM 0 HA THR A 7 35.137 32.127 22.564 1.00 0.00 H new ATOM 0 HB THR A 7 36.992 30.879 23.384 1.00 0.00 H new ATOM 0 HG1 THR A 7 39.198 31.907 22.777 1.00 0.00 H new ATOM 0 HG21 THR A 7 38.310 30.392 21.346 1.00 0.00 H new ATOM 0 HG22 THR A 7 36.583 30.584 20.962 1.00 0.00 H new ATOM 0 HG23 THR A 7 37.725 31.902 20.606 1.00 0.00 H new ATOM 128 N LEU A 8 36.004 32.858 25.057 1.00 0.00 N ATOM 129 CA LEU A 8 35.991 33.565 26.329 1.00 0.00 C ATOM 130 C LEU A 8 37.359 34.168 26.632 1.00 0.00 C ATOM 131 O LEU A 8 37.463 35.136 27.387 1.00 0.00 O ATOM 132 CB LEU A 8 35.579 32.606 27.457 1.00 0.00 C ATOM 133 CG LEU A 8 34.054 32.398 27.441 1.00 0.00 C ATOM 134 CD1 LEU A 8 33.334 33.683 27.902 1.00 0.00 C ATOM 135 CD2 LEU A 8 33.600 32.034 26.019 1.00 0.00 C ATOM 0 H LEU A 8 35.968 31.841 25.132 1.00 0.00 H new ATOM 0 HA LEU A 8 35.267 34.377 26.262 1.00 0.00 H new ATOM 0 HB2 LEU A 8 36.086 31.649 27.335 1.00 0.00 H new ATOM 0 HB3 LEU A 8 35.889 33.010 28.421 1.00 0.00 H new ATOM 0 HG LEU A 8 33.800 31.588 28.124 1.00 0.00 H new ATOM 0 HD11 LEU A 8 32.256 33.522 27.886 1.00 0.00 H new ATOM 0 HD12 LEU A 8 33.648 33.933 28.915 1.00 0.00 H new ATOM 0 HD13 LEU A 8 33.588 34.503 27.231 1.00 0.00 H new ATOM 0 HD21 LEU A 8 32.520 31.887 26.008 1.00 0.00 H new ATOM 0 HD22 LEU A 8 33.863 32.841 25.335 1.00 0.00 H new ATOM 0 HD23 LEU A 8 34.094 31.115 25.703 1.00 0.00 H new ATOM 147 N THR A 9 38.409 33.602 26.044 1.00 0.00 N ATOM 148 CA THR A 9 39.760 34.109 26.276 1.00 0.00 C ATOM 149 C THR A 9 40.051 35.313 25.384 1.00 0.00 C ATOM 150 O THR A 9 41.185 35.790 25.327 1.00 0.00 O ATOM 151 CB THR A 9 40.795 33.012 26.004 1.00 0.00 C ATOM 152 OG1 THR A 9 40.711 32.605 24.646 1.00 0.00 O ATOM 153 CG2 THR A 9 40.526 31.815 26.917 1.00 0.00 C ATOM 0 H THR A 9 38.354 32.803 25.412 1.00 0.00 H new ATOM 0 HA THR A 9 39.826 34.419 27.319 1.00 0.00 H new ATOM 0 HB THR A 9 41.794 33.400 26.203 1.00 0.00 H new ATOM 0 HG1 THR A 9 39.800 32.753 24.316 1.00 0.00 H new ATOM 0 HG21 THR A 9 41.263 31.036 26.722 1.00 0.00 H new ATOM 0 HG22 THR A 9 40.596 32.129 27.958 1.00 0.00 H new ATOM 0 HG23 THR A 9 39.527 31.426 26.722 1.00 0.00 H new ATOM 161 N GLY A 10 39.023 35.815 24.700 1.00 0.00 N ATOM 162 CA GLY A 10 39.198 36.972 23.831 1.00 0.00 C ATOM 163 C GLY A 10 40.040 36.621 22.611 1.00 0.00 C ATOM 164 O GLY A 10 40.638 37.496 21.986 1.00 0.00 O ATOM 0 H GLY A 10 38.074 35.443 24.731 1.00 0.00 H new ATOM 0 HA2 GLY A 10 38.223 37.340 23.510 1.00 0.00 H new ATOM 0 HA3 GLY A 10 39.676 37.779 24.387 1.00 0.00 H new ATOM 168 N LYS A 11 40.065 35.337 22.262 1.00 0.00 N ATOM 169 CA LYS A 11 40.818 34.883 21.095 1.00 0.00 C ATOM 170 C LYS A 11 39.938 34.975 19.857 1.00 0.00 C ATOM 171 O LYS A 11 38.791 34.520 19.871 1.00 0.00 O ATOM 172 CB LYS A 11 41.270 33.432 21.290 1.00 0.00 C ATOM 173 CG LYS A 11 42.239 33.035 20.170 1.00 0.00 C ATOM 174 CD LYS A 11 42.695 31.588 20.380 1.00 0.00 C ATOM 175 CE LYS A 11 43.799 31.242 19.377 1.00 0.00 C ATOM 176 NZ LYS A 11 43.297 31.454 17.990 1.00 0.00 N ATOM 0 H LYS A 11 39.576 34.597 22.766 1.00 0.00 H new ATOM 0 HA LYS A 11 41.696 35.516 20.971 1.00 0.00 H new ATOM 0 HB2 LYS A 11 41.755 33.320 22.260 1.00 0.00 H new ATOM 0 HB3 LYS A 11 40.405 32.769 21.287 1.00 0.00 H new ATOM 0 HG2 LYS A 11 41.752 33.137 19.200 1.00 0.00 H new ATOM 0 HG3 LYS A 11 43.101 33.702 20.166 1.00 0.00 H new ATOM 0 HD2 LYS A 11 43.062 31.457 21.398 1.00 0.00 H new ATOM 0 HD3 LYS A 11 41.851 30.909 20.255 1.00 0.00 H new ATOM 0 HE2 LYS A 11 44.676 31.864 19.557 1.00 0.00 H new ATOM 0 HE3 LYS A 11 44.111 30.206 19.507 1.00 0.00 H new ATOM 0 HZ1 LYS A 11 43.927 30.974 17.316 1.00 0.00 H new ATOM 0 HZ2 LYS A 11 42.337 31.064 17.905 1.00 0.00 H new ATOM 0 HZ3 LYS A 11 43.277 32.472 17.780 1.00 0.00 H new ATOM 190 N THR A 12 40.477 35.558 18.785 1.00 0.00 N ATOM 191 CA THR A 12 39.735 35.697 17.532 1.00 0.00 C ATOM 192 C THR A 12 40.425 34.893 16.444 1.00 0.00 C ATOM 193 O THR A 12 41.607 35.089 16.162 1.00 0.00 O ATOM 194 CB THR A 12 39.661 37.164 17.108 1.00 0.00 C ATOM 195 OG1 THR A 12 39.120 37.935 18.173 1.00 0.00 O ATOM 196 CG2 THR A 12 38.760 37.289 15.873 1.00 0.00 C ATOM 0 H THR A 12 41.422 35.940 18.760 1.00 0.00 H new ATOM 0 HA THR A 12 38.722 35.325 17.684 1.00 0.00 H new ATOM 0 HB THR A 12 40.660 37.529 16.868 1.00 0.00 H new ATOM 0 HG1 THR A 12 39.073 38.876 17.904 1.00 0.00 H new ATOM 0 HG21 THR A 12 38.705 38.334 15.567 1.00 0.00 H new ATOM 0 HG22 THR A 12 39.174 36.694 15.059 1.00 0.00 H new ATOM 0 HG23 THR A 12 37.760 36.928 16.114 1.00 0.00 H new ATOM 204 N ILE A 13 39.675 33.984 15.838 1.00 0.00 N ATOM 205 CA ILE A 13 40.209 33.137 14.776 1.00 0.00 C ATOM 206 C ILE A 13 39.235 33.072 13.615 1.00 0.00 C ATOM 207 O ILE A 13 38.020 33.064 13.805 1.00 0.00 O ATOM 208 CB ILE A 13 40.476 31.731 15.310 1.00 0.00 C ATOM 209 CG1 ILE A 13 41.158 30.898 14.222 1.00 0.00 C ATOM 210 CG2 ILE A 13 39.155 31.071 15.704 1.00 0.00 C ATOM 211 CD1 ILE A 13 41.533 29.527 14.788 1.00 0.00 C ATOM 0 H ILE A 13 38.695 33.812 16.062 1.00 0.00 H new ATOM 0 HA ILE A 13 41.147 33.568 14.425 1.00 0.00 H new ATOM 0 HB ILE A 13 41.123 31.792 16.185 1.00 0.00 H new ATOM 0 HG12 ILE A 13 40.491 30.780 13.368 1.00 0.00 H new ATOM 0 HG13 ILE A 13 42.050 31.411 13.862 1.00 0.00 H new ATOM 0 HG21 ILE A 13 39.349 30.068 16.085 1.00 0.00 H new ATOM 0 HG22 ILE A 13 38.668 31.665 16.477 1.00 0.00 H new ATOM 0 HG23 ILE A 13 38.505 31.009 14.831 1.00 0.00 H new ATOM 0 HD11 ILE A 13 42.019 28.934 14.013 1.00 0.00 H new ATOM 0 HD12 ILE A 13 42.215 29.655 15.628 1.00 0.00 H new ATOM 0 HD13 ILE A 13 40.633 29.014 15.126 1.00 0.00 H new ATOM 223 N THR A 14 39.779 33.035 12.406 1.00 0.00 N ATOM 224 CA THR A 14 38.948 32.976 11.207 1.00 0.00 C ATOM 225 C THR A 14 38.850 31.545 10.697 1.00 0.00 C ATOM 226 O THR A 14 39.833 30.802 10.690 1.00 0.00 O ATOM 227 CB THR A 14 39.524 33.883 10.118 1.00 0.00 C ATOM 228 OG1 THR A 14 39.896 35.126 10.699 1.00 0.00 O ATOM 229 CG2 THR A 14 38.461 34.123 9.040 1.00 0.00 C ATOM 0 H THR A 14 40.783 33.045 12.228 1.00 0.00 H new ATOM 0 HA THR A 14 37.947 33.324 11.463 1.00 0.00 H new ATOM 0 HB THR A 14 40.397 33.410 9.668 1.00 0.00 H new ATOM 0 HG1 THR A 14 39.092 35.653 10.886 1.00 0.00 H new ATOM 0 HG21 THR A 14 38.870 34.769 8.263 1.00 0.00 H new ATOM 0 HG22 THR A 14 38.166 33.170 8.601 1.00 0.00 H new ATOM 0 HG23 THR A 14 37.590 34.601 9.488 1.00 0.00 H new ATOM 237 N LEU A 15 37.643 31.167 10.287 1.00 0.00 N ATOM 238 CA LEU A 15 37.370 29.821 9.783 1.00 0.00 C ATOM 239 C LEU A 15 36.744 29.902 8.389 1.00 0.00 C ATOM 240 O LEU A 15 36.008 30.841 8.079 1.00 0.00 O ATOM 241 CB LEU A 15 36.392 29.117 10.761 1.00 0.00 C ATOM 242 CG LEU A 15 37.125 28.108 11.662 1.00 0.00 C ATOM 243 CD1 LEU A 15 38.272 28.799 12.416 1.00 0.00 C ATOM 244 CD2 LEU A 15 36.123 27.533 12.670 1.00 0.00 C ATOM 0 H LEU A 15 36.828 31.781 10.294 1.00 0.00 H new ATOM 0 HA LEU A 15 38.299 29.255 9.714 1.00 0.00 H new ATOM 0 HB2 LEU A 15 35.894 29.864 11.379 1.00 0.00 H new ATOM 0 HB3 LEU A 15 35.616 28.603 10.194 1.00 0.00 H new ATOM 0 HG LEU A 15 37.544 27.311 11.048 1.00 0.00 H new ATOM 0 HD11 LEU A 15 38.781 28.072 13.049 1.00 0.00 H new ATOM 0 HD12 LEU A 15 38.980 29.215 11.699 1.00 0.00 H new ATOM 0 HD13 LEU A 15 37.869 29.601 13.035 1.00 0.00 H new ATOM 0 HD21 LEU A 15 36.628 26.815 13.316 1.00 0.00 H new ATOM 0 HD22 LEU A 15 35.712 28.341 13.276 1.00 0.00 H new ATOM 0 HD23 LEU A 15 35.315 27.034 12.135 1.00 0.00 H new ATOM 256 N GLU A 16 37.015 28.888 7.568 1.00 0.00 N ATOM 257 CA GLU A 16 36.447 28.816 6.216 1.00 0.00 C ATOM 258 C GLU A 16 35.379 27.731 6.194 1.00 0.00 C ATOM 259 O GLU A 16 35.653 26.579 6.524 1.00 0.00 O ATOM 260 CB GLU A 16 37.534 28.502 5.180 1.00 0.00 C ATOM 261 CG GLU A 16 38.471 27.421 5.719 1.00 0.00 C ATOM 262 CD GLU A 16 39.577 27.142 4.707 1.00 0.00 C ATOM 263 OE1 GLU A 16 39.278 26.561 3.677 1.00 0.00 O ATOM 264 OE2 GLU A 16 40.706 27.515 4.976 1.00 0.00 O ATOM 0 H GLU A 16 37.622 28.105 7.812 1.00 0.00 H new ATOM 0 HA GLU A 16 36.009 29.781 5.959 1.00 0.00 H new ATOM 0 HB2 GLU A 16 37.076 28.167 4.250 1.00 0.00 H new ATOM 0 HB3 GLU A 16 38.100 29.404 4.950 1.00 0.00 H new ATOM 0 HG2 GLU A 16 38.905 27.743 6.666 1.00 0.00 H new ATOM 0 HG3 GLU A 16 37.910 26.508 5.919 1.00 0.00 H new ATOM 271 N VAL A 17 34.158 28.108 5.827 1.00 0.00 N ATOM 272 CA VAL A 17 33.055 27.147 5.800 1.00 0.00 C ATOM 273 C VAL A 17 32.067 27.453 4.682 1.00 0.00 C ATOM 274 O VAL A 17 32.077 28.539 4.102 1.00 0.00 O ATOM 275 CB VAL A 17 32.333 27.132 7.164 1.00 0.00 C ATOM 276 CG1 VAL A 17 33.350 27.318 8.294 1.00 0.00 C ATOM 277 CG2 VAL A 17 31.306 28.265 7.238 1.00 0.00 C ATOM 0 H VAL A 17 33.907 29.056 5.548 1.00 0.00 H new ATOM 0 HA VAL A 17 33.477 26.161 5.604 1.00 0.00 H new ATOM 0 HB VAL A 17 31.826 26.173 7.271 1.00 0.00 H new ATOM 0 HG11 VAL A 17 32.834 27.306 9.254 1.00 0.00 H new ATOM 0 HG12 VAL A 17 34.079 26.508 8.264 1.00 0.00 H new ATOM 0 HG13 VAL A 17 33.862 28.272 8.169 1.00 0.00 H new ATOM 0 HG21 VAL A 17 30.806 28.240 8.206 1.00 0.00 H new ATOM 0 HG22 VAL A 17 31.811 29.223 7.115 1.00 0.00 H new ATOM 0 HG23 VAL A 17 30.568 28.140 6.445 1.00 0.00 H new ATOM 287 N GLU A 18 31.202 26.480 4.398 1.00 0.00 N ATOM 288 CA GLU A 18 30.182 26.628 3.369 1.00 0.00 C ATOM 289 C GLU A 18 28.850 26.952 4.046 1.00 0.00 C ATOM 290 O GLU A 18 28.616 26.540 5.183 1.00 0.00 O ATOM 291 CB GLU A 18 30.056 25.319 2.578 1.00 0.00 C ATOM 292 CG GLU A 18 31.344 25.071 1.790 1.00 0.00 C ATOM 293 CD GLU A 18 31.493 26.117 0.691 1.00 0.00 C ATOM 294 OE1 GLU A 18 30.572 26.257 -0.097 1.00 0.00 O ATOM 295 OE2 GLU A 18 32.527 26.765 0.653 1.00 0.00 O ATOM 0 H GLU A 18 31.190 25.577 4.871 1.00 0.00 H new ATOM 0 HA GLU A 18 30.455 27.431 2.684 1.00 0.00 H new ATOM 0 HB2 GLU A 18 29.868 24.488 3.258 1.00 0.00 H new ATOM 0 HB3 GLU A 18 29.206 25.373 1.898 1.00 0.00 H new ATOM 0 HG2 GLU A 18 32.203 25.111 2.460 1.00 0.00 H new ATOM 0 HG3 GLU A 18 31.326 24.073 1.353 1.00 0.00 H new ATOM 302 N PRO A 19 27.978 27.674 3.394 1.00 0.00 N ATOM 303 CA PRO A 19 26.658 28.043 3.984 1.00 0.00 C ATOM 304 C PRO A 19 25.789 26.812 4.223 1.00 0.00 C ATOM 305 O PRO A 19 24.783 26.878 4.929 1.00 0.00 O ATOM 306 CB PRO A 19 26.035 28.981 2.934 1.00 0.00 C ATOM 307 CG PRO A 19 26.713 28.625 1.651 1.00 0.00 C ATOM 308 CD PRO A 19 28.133 28.215 2.032 1.00 0.00 C ATOM 0 HA PRO A 19 26.753 28.515 4.962 1.00 0.00 H new ATOM 0 HB2 PRO A 19 24.957 28.836 2.865 1.00 0.00 H new ATOM 0 HB3 PRO A 19 26.200 30.027 3.191 1.00 0.00 H new ATOM 0 HG2 PRO A 19 26.193 27.811 1.146 1.00 0.00 H new ATOM 0 HG3 PRO A 19 26.721 29.472 0.965 1.00 0.00 H new ATOM 0 HD2 PRO A 19 28.533 27.468 1.346 1.00 0.00 H new ATOM 0 HD3 PRO A 19 28.816 29.065 2.012 1.00 0.00 H new ATOM 316 N SER A 20 26.177 25.689 3.619 1.00 0.00 N ATOM 317 CA SER A 20 25.424 24.443 3.752 1.00 0.00 C ATOM 318 C SER A 20 26.106 23.484 4.727 1.00 0.00 C ATOM 319 O SER A 20 25.692 22.331 4.856 1.00 0.00 O ATOM 320 CB SER A 20 25.313 23.774 2.382 1.00 0.00 C ATOM 321 OG SER A 20 24.567 24.612 1.511 1.00 0.00 O ATOM 0 H SER A 20 27.009 25.617 3.033 1.00 0.00 H new ATOM 0 HA SER A 20 24.434 24.680 4.141 1.00 0.00 H new ATOM 0 HB2 SER A 20 26.306 23.594 1.970 1.00 0.00 H new ATOM 0 HB3 SER A 20 24.827 22.803 2.477 1.00 0.00 H new ATOM 0 HG SER A 20 24.495 24.187 0.631 1.00 0.00 H new ATOM 327 N ASP A 21 27.145 23.954 5.414 1.00 0.00 N ATOM 328 CA ASP A 21 27.853 23.114 6.368 1.00 0.00 C ATOM 329 C ASP A 21 26.952 22.807 7.558 1.00 0.00 C ATOM 330 O ASP A 21 26.135 23.638 7.961 1.00 0.00 O ATOM 331 CB ASP A 21 29.128 23.834 6.830 1.00 0.00 C ATOM 332 CG ASP A 21 30.243 23.671 5.796 1.00 0.00 C ATOM 333 OD1 ASP A 21 30.085 22.858 4.897 1.00 0.00 O ATOM 334 OD2 ASP A 21 31.242 24.360 5.923 1.00 0.00 O ATOM 0 H ASP A 21 27.510 24.903 5.327 1.00 0.00 H new ATOM 0 HA ASP A 21 28.129 22.172 5.893 1.00 0.00 H new ATOM 0 HB2 ASP A 21 28.919 24.893 6.983 1.00 0.00 H new ATOM 0 HB3 ASP A 21 29.452 23.431 7.789 1.00 0.00 H new ATOM 339 N THR A 22 27.103 21.609 8.120 1.00 0.00 N ATOM 340 CA THR A 22 26.293 21.206 9.266 1.00 0.00 C ATOM 341 C THR A 22 26.965 21.636 10.559 1.00 0.00 C ATOM 342 O THR A 22 28.190 21.716 10.630 1.00 0.00 O ATOM 343 CB THR A 22 26.103 19.686 9.270 1.00 0.00 C ATOM 344 OG1 THR A 22 27.369 19.053 9.391 1.00 0.00 O ATOM 345 CG2 THR A 22 25.432 19.245 7.967 1.00 0.00 C ATOM 0 H THR A 22 27.772 20.907 7.804 1.00 0.00 H new ATOM 0 HA THR A 22 25.319 21.689 9.189 1.00 0.00 H new ATOM 0 HB THR A 22 25.471 19.403 10.112 1.00 0.00 H new ATOM 0 HG1 THR A 22 27.249 18.080 9.395 1.00 0.00 H new ATOM 0 HG21 THR A 22 25.299 18.163 7.974 1.00 0.00 H new ATOM 0 HG22 THR A 22 24.460 19.730 7.876 1.00 0.00 H new ATOM 0 HG23 THR A 22 26.059 19.528 7.121 1.00 0.00 H new ATOM 353 N ILE A 23 26.164 21.905 11.578 1.00 0.00 N ATOM 354 CA ILE A 23 26.716 22.321 12.857 1.00 0.00 C ATOM 355 C ILE A 23 27.765 21.317 13.316 1.00 0.00 C ATOM 356 O ILE A 23 28.645 21.639 14.110 1.00 0.00 O ATOM 357 CB ILE A 23 25.607 22.428 13.905 1.00 0.00 C ATOM 358 CG1 ILE A 23 24.416 23.203 13.328 1.00 0.00 C ATOM 359 CG2 ILE A 23 26.136 23.155 15.141 1.00 0.00 C ATOM 360 CD1 ILE A 23 24.891 24.523 12.710 1.00 0.00 C ATOM 0 H ILE A 23 25.146 21.844 11.547 1.00 0.00 H new ATOM 0 HA ILE A 23 27.181 23.300 12.738 1.00 0.00 H new ATOM 0 HB ILE A 23 25.283 21.425 14.183 1.00 0.00 H new ATOM 0 HG12 ILE A 23 23.912 22.600 12.572 1.00 0.00 H new ATOM 0 HG13 ILE A 23 23.688 23.403 14.114 1.00 0.00 H new ATOM 0 HG21 ILE A 23 25.344 23.230 15.886 1.00 0.00 H new ATOM 0 HG22 ILE A 23 26.975 22.599 15.559 1.00 0.00 H new ATOM 0 HG23 ILE A 23 26.466 24.155 14.861 1.00 0.00 H new ATOM 0 HD11 ILE A 23 24.036 25.063 12.304 1.00 0.00 H new ATOM 0 HD12 ILE A 23 25.374 25.130 13.476 1.00 0.00 H new ATOM 0 HD13 ILE A 23 25.602 24.315 11.910 1.00 0.00 H new ATOM 372 N GLU A 24 27.677 20.104 12.788 1.00 0.00 N ATOM 373 CA GLU A 24 28.634 19.061 13.135 1.00 0.00 C ATOM 374 C GLU A 24 29.953 19.295 12.399 1.00 0.00 C ATOM 375 O GLU A 24 31.008 19.416 13.019 1.00 0.00 O ATOM 376 CB GLU A 24 28.062 17.690 12.763 1.00 0.00 C ATOM 377 CG GLU A 24 26.656 17.547 13.355 1.00 0.00 C ATOM 378 CD GLU A 24 26.118 16.144 13.092 1.00 0.00 C ATOM 379 OE1 GLU A 24 26.397 15.613 12.030 1.00 0.00 O ATOM 380 OE2 GLU A 24 25.434 15.622 13.957 1.00 0.00 O ATOM 0 H GLU A 24 26.959 19.819 12.123 1.00 0.00 H new ATOM 0 HA GLU A 24 28.820 19.091 14.209 1.00 0.00 H new ATOM 0 HB2 GLU A 24 28.025 17.581 11.679 1.00 0.00 H new ATOM 0 HB3 GLU A 24 28.710 16.899 13.141 1.00 0.00 H new ATOM 0 HG2 GLU A 24 26.683 17.740 14.428 1.00 0.00 H new ATOM 0 HG3 GLU A 24 25.990 18.289 12.915 1.00 0.00 H new ATOM 387 N ASN A 25 29.881 19.357 11.073 1.00 0.00 N ATOM 388 CA ASN A 25 31.066 19.578 10.261 1.00 0.00 C ATOM 389 C ASN A 25 31.809 20.828 10.727 1.00 0.00 C ATOM 390 O ASN A 25 33.036 20.839 10.807 1.00 0.00 O ATOM 391 CB ASN A 25 30.652 19.741 8.798 1.00 0.00 C ATOM 392 CG ASN A 25 30.272 18.391 8.202 1.00 0.00 C ATOM 393 OD1 ASN A 25 30.584 17.347 8.774 1.00 0.00 O ATOM 394 ND2 ASN A 25 29.615 18.350 7.075 1.00 0.00 N ATOM 0 H ASN A 25 29.016 19.257 10.542 1.00 0.00 H new ATOM 0 HA ASN A 25 31.731 18.720 10.364 1.00 0.00 H new ATOM 0 HB2 ASN A 25 29.809 20.428 8.726 1.00 0.00 H new ATOM 0 HB3 ASN A 25 31.471 20.180 8.228 1.00 0.00 H new ATOM 0 HD21 ASN A 25 29.359 17.451 6.666 1.00 0.00 H new ATOM 0 HD22 ASN A 25 29.358 19.217 6.603 1.00 0.00 H new ATOM 401 N VAL A 26 31.060 21.881 11.029 1.00 0.00 N ATOM 402 CA VAL A 26 31.674 23.126 11.479 1.00 0.00 C ATOM 403 C VAL A 26 32.378 22.920 12.819 1.00 0.00 C ATOM 404 O VAL A 26 33.490 23.405 13.027 1.00 0.00 O ATOM 405 CB VAL A 26 30.617 24.229 11.601 1.00 0.00 C ATOM 406 CG1 VAL A 26 31.287 25.522 12.062 1.00 0.00 C ATOM 407 CG2 VAL A 26 29.961 24.464 10.237 1.00 0.00 C ATOM 0 H VAL A 26 30.042 21.900 10.972 1.00 0.00 H new ATOM 0 HA VAL A 26 32.414 23.432 10.740 1.00 0.00 H new ATOM 0 HB VAL A 26 29.860 23.926 12.324 1.00 0.00 H new ATOM 0 HG11 VAL A 26 30.538 26.309 12.150 1.00 0.00 H new ATOM 0 HG12 VAL A 26 31.760 25.361 13.031 1.00 0.00 H new ATOM 0 HG13 VAL A 26 32.042 25.820 11.335 1.00 0.00 H new ATOM 0 HG21 VAL A 26 29.209 25.249 10.325 1.00 0.00 H new ATOM 0 HG22 VAL A 26 30.720 24.768 9.516 1.00 0.00 H new ATOM 0 HG23 VAL A 26 29.486 23.543 9.898 1.00 0.00 H new ATOM 417 N LYS A 27 31.734 22.188 13.722 1.00 0.00 N ATOM 418 CA LYS A 27 32.327 21.925 15.027 1.00 0.00 C ATOM 419 C LYS A 27 33.617 21.150 14.830 1.00 0.00 C ATOM 420 O LYS A 27 34.605 21.362 15.533 1.00 0.00 O ATOM 421 CB LYS A 27 31.353 21.128 15.905 1.00 0.00 C ATOM 422 CG LYS A 27 30.318 22.077 16.520 1.00 0.00 C ATOM 423 CD LYS A 27 29.203 21.264 17.186 1.00 0.00 C ATOM 424 CE LYS A 27 28.414 22.162 18.142 1.00 0.00 C ATOM 425 NZ LYS A 27 27.269 21.396 18.713 1.00 0.00 N ATOM 0 H LYS A 27 30.814 21.772 13.577 1.00 0.00 H new ATOM 0 HA LYS A 27 32.540 22.868 15.530 1.00 0.00 H new ATOM 0 HB2 LYS A 27 30.852 20.365 15.309 1.00 0.00 H new ATOM 0 HB3 LYS A 27 31.899 20.610 16.693 1.00 0.00 H new ATOM 0 HG2 LYS A 27 30.796 22.726 17.254 1.00 0.00 H new ATOM 0 HG3 LYS A 27 29.899 22.723 15.748 1.00 0.00 H new ATOM 0 HD2 LYS A 27 28.538 20.850 16.428 1.00 0.00 H new ATOM 0 HD3 LYS A 27 29.629 20.421 17.731 1.00 0.00 H new ATOM 0 HE2 LYS A 27 29.063 22.518 18.943 1.00 0.00 H new ATOM 0 HE3 LYS A 27 28.049 23.042 17.613 1.00 0.00 H new ATOM 0 HZ1 LYS A 27 26.733 22.006 19.363 1.00 0.00 H new ATOM 0 HZ2 LYS A 27 26.646 21.078 17.943 1.00 0.00 H new ATOM 0 HZ3 LYS A 27 27.629 20.569 19.232 1.00 0.00 H new ATOM 439 N ALA A 28 33.595 20.256 13.855 1.00 0.00 N ATOM 440 CA ALA A 28 34.755 19.448 13.538 1.00 0.00 C ATOM 441 C ALA A 28 35.927 20.351 13.155 1.00 0.00 C ATOM 442 O ALA A 28 37.070 20.094 13.530 1.00 0.00 O ATOM 443 CB ALA A 28 34.403 18.514 12.381 1.00 0.00 C ATOM 0 H ALA A 28 32.781 20.073 13.268 1.00 0.00 H new ATOM 0 HA ALA A 28 35.046 18.857 14.406 1.00 0.00 H new ATOM 0 HB1 ALA A 28 35.269 17.900 12.133 1.00 0.00 H new ATOM 0 HB2 ALA A 28 33.573 17.870 12.673 1.00 0.00 H new ATOM 0 HB3 ALA A 28 34.116 19.105 11.511 1.00 0.00 H new ATOM 449 N LYS A 29 35.624 21.416 12.413 1.00 0.00 N ATOM 450 CA LYS A 29 36.658 22.363 11.997 1.00 0.00 C ATOM 451 C LYS A 29 37.240 23.054 13.229 1.00 0.00 C ATOM 452 O LYS A 29 38.449 23.276 13.328 1.00 0.00 O ATOM 453 CB LYS A 29 36.077 23.426 11.053 1.00 0.00 C ATOM 454 CG LYS A 29 35.620 22.779 9.742 1.00 0.00 C ATOM 455 CD LYS A 29 35.257 23.873 8.730 1.00 0.00 C ATOM 456 CE LYS A 29 35.059 23.244 7.349 1.00 0.00 C ATOM 457 NZ LYS A 29 34.830 24.320 6.345 1.00 0.00 N ATOM 0 H LYS A 29 34.683 21.643 12.091 1.00 0.00 H new ATOM 0 HA LYS A 29 37.438 21.813 11.470 1.00 0.00 H new ATOM 0 HB2 LYS A 29 35.236 23.927 11.532 1.00 0.00 H new ATOM 0 HB3 LYS A 29 36.828 24.189 10.848 1.00 0.00 H new ATOM 0 HG2 LYS A 29 36.412 22.146 9.341 1.00 0.00 H new ATOM 0 HG3 LYS A 29 34.759 22.136 9.923 1.00 0.00 H new ATOM 0 HD2 LYS A 29 34.347 24.385 9.042 1.00 0.00 H new ATOM 0 HD3 LYS A 29 36.047 24.623 8.690 1.00 0.00 H new ATOM 0 HE2 LYS A 29 35.935 22.656 7.076 1.00 0.00 H new ATOM 0 HE3 LYS A 29 34.210 22.561 7.367 1.00 0.00 H new ATOM 0 HZ1 LYS A 29 35.348 24.096 5.472 1.00 0.00 H new ATOM 0 HZ2 LYS A 29 33.814 24.389 6.136 1.00 0.00 H new ATOM 0 HZ3 LYS A 29 35.168 25.227 6.725 1.00 0.00 H new ATOM 471 N ILE A 30 36.361 23.367 14.174 1.00 0.00 N ATOM 472 CA ILE A 30 36.773 24.013 15.405 1.00 0.00 C ATOM 473 C ILE A 30 37.650 23.072 16.227 1.00 0.00 C ATOM 474 O ILE A 30 38.696 23.472 16.730 1.00 0.00 O ATOM 475 CB ILE A 30 35.531 24.427 16.199 1.00 0.00 C ATOM 476 CG1 ILE A 30 34.838 25.587 15.473 1.00 0.00 C ATOM 477 CG2 ILE A 30 35.943 24.874 17.603 1.00 0.00 C ATOM 478 CD1 ILE A 30 33.500 25.908 16.150 1.00 0.00 C ATOM 0 H ILE A 30 35.360 23.182 14.107 1.00 0.00 H new ATOM 0 HA ILE A 30 37.358 24.902 15.171 1.00 0.00 H new ATOM 0 HB ILE A 30 34.848 23.582 16.280 1.00 0.00 H new ATOM 0 HG12 ILE A 30 35.480 26.468 15.483 1.00 0.00 H new ATOM 0 HG13 ILE A 30 34.672 25.325 14.428 1.00 0.00 H new ATOM 0 HG21 ILE A 30 35.057 25.168 18.166 1.00 0.00 H new ATOM 0 HG22 ILE A 30 36.442 24.051 18.115 1.00 0.00 H new ATOM 0 HG23 ILE A 30 36.624 25.722 17.530 1.00 0.00 H new ATOM 0 HD11 ILE A 30 33.016 26.733 15.627 1.00 0.00 H new ATOM 0 HD12 ILE A 30 32.856 25.030 16.117 1.00 0.00 H new ATOM 0 HD13 ILE A 30 33.676 26.190 17.188 1.00 0.00 H new ATOM 490 N GLN A 31 37.218 21.823 16.356 1.00 0.00 N ATOM 491 CA GLN A 31 37.981 20.841 17.121 1.00 0.00 C ATOM 492 C GLN A 31 39.366 20.649 16.511 1.00 0.00 C ATOM 493 O GLN A 31 40.370 20.623 17.217 1.00 0.00 O ATOM 494 CB GLN A 31 37.250 19.496 17.133 1.00 0.00 C ATOM 495 CG GLN A 31 37.986 18.526 18.062 1.00 0.00 C ATOM 496 CD GLN A 31 37.259 17.187 18.108 1.00 0.00 C ATOM 497 OE1 GLN A 31 36.357 16.912 17.206 1.00 0.00 O flip ATOM 498 NE2 GLN A 31 37.518 16.370 18.992 1.00 0.00 N flip ATOM 0 H GLN A 31 36.354 21.468 15.947 1.00 0.00 H new ATOM 0 HA GLN A 31 38.084 21.211 18.141 1.00 0.00 H new ATOM 0 HB2 GLN A 31 36.222 19.631 17.470 1.00 0.00 H new ATOM 0 HB3 GLN A 31 37.203 19.086 16.124 1.00 0.00 H new ATOM 0 HG2 GLN A 31 39.008 18.381 17.712 1.00 0.00 H new ATOM 0 HG3 GLN A 31 38.049 18.949 19.065 1.00 0.00 H new ATOM 0 HE21 GLN A 31 38.223 16.587 19.696 1.00 0.00 H new ATOM 0 HE22 GLN A 31 37.027 15.476 19.020 1.00 0.00 H new ATOM 507 N ASP A 32 39.405 20.499 15.195 1.00 0.00 N ATOM 508 CA ASP A 32 40.668 20.287 14.498 1.00 0.00 C ATOM 509 C ASP A 32 41.667 21.408 14.784 1.00 0.00 C ATOM 510 O ASP A 32 42.865 21.157 14.905 1.00 0.00 O ATOM 511 CB ASP A 32 40.418 20.194 12.990 1.00 0.00 C ATOM 512 CG ASP A 32 41.678 19.709 12.281 1.00 0.00 C ATOM 513 OD1 ASP A 32 42.601 19.301 12.967 1.00 0.00 O ATOM 514 OD2 ASP A 32 41.702 19.753 11.062 1.00 0.00 O ATOM 0 H ASP A 32 38.584 20.520 14.591 1.00 0.00 H new ATOM 0 HA ASP A 32 41.097 19.354 14.863 1.00 0.00 H new ATOM 0 HB2 ASP A 32 39.593 19.510 12.791 1.00 0.00 H new ATOM 0 HB3 ASP A 32 40.124 21.169 12.601 1.00 0.00 H new ATOM 519 N LYS A 33 41.184 22.649 14.858 1.00 0.00 N ATOM 520 CA LYS A 33 42.077 23.790 15.094 1.00 0.00 C ATOM 521 C LYS A 33 42.309 24.072 16.586 1.00 0.00 C ATOM 522 O LYS A 33 43.415 24.443 16.978 1.00 0.00 O ATOM 523 CB LYS A 33 41.502 25.043 14.429 1.00 0.00 C ATOM 524 CG LYS A 33 41.346 24.799 12.926 1.00 0.00 C ATOM 525 CD LYS A 33 40.891 26.091 12.242 1.00 0.00 C ATOM 526 CE LYS A 33 40.566 25.808 10.773 1.00 0.00 C ATOM 527 NZ LYS A 33 40.170 27.077 10.097 1.00 0.00 N ATOM 0 H LYS A 33 40.198 22.890 14.760 1.00 0.00 H new ATOM 0 HA LYS A 33 43.042 23.529 14.658 1.00 0.00 H new ATOM 0 HB2 LYS A 33 40.536 25.291 14.870 1.00 0.00 H new ATOM 0 HB3 LYS A 33 42.160 25.894 14.603 1.00 0.00 H new ATOM 0 HG2 LYS A 33 42.292 24.464 12.501 1.00 0.00 H new ATOM 0 HG3 LYS A 33 40.619 24.006 12.749 1.00 0.00 H new ATOM 0 HD2 LYS A 33 40.013 26.493 12.748 1.00 0.00 H new ATOM 0 HD3 LYS A 33 41.673 26.847 12.313 1.00 0.00 H new ATOM 0 HE2 LYS A 33 41.433 25.374 10.275 1.00 0.00 H new ATOM 0 HE3 LYS A 33 39.759 25.079 10.702 1.00 0.00 H new ATOM 0 HZ1 LYS A 33 39.180 27.010 9.786 1.00 0.00 H new ATOM 0 HZ2 LYS A 33 40.272 27.871 10.761 1.00 0.00 H new ATOM 0 HZ3 LYS A 33 40.782 27.236 9.271 1.00 0.00 H new ATOM 541 N GLU A 34 41.269 23.939 17.413 1.00 0.00 N ATOM 542 CA GLU A 34 41.400 24.233 18.851 1.00 0.00 C ATOM 543 C GLU A 34 41.579 22.968 19.694 1.00 0.00 C ATOM 544 O GLU A 34 41.937 23.048 20.869 1.00 0.00 O ATOM 545 CB GLU A 34 40.160 24.991 19.339 1.00 0.00 C ATOM 546 CG GLU A 34 39.986 26.274 18.521 1.00 0.00 C ATOM 547 CD GLU A 34 41.129 27.242 18.810 1.00 0.00 C ATOM 548 OE1 GLU A 34 41.533 27.325 19.960 1.00 0.00 O ATOM 549 OE2 GLU A 34 41.584 27.885 17.878 1.00 0.00 O ATOM 0 H GLU A 34 40.340 23.635 17.123 1.00 0.00 H new ATOM 0 HA GLU A 34 42.295 24.842 18.973 1.00 0.00 H new ATOM 0 HB2 GLU A 34 39.275 24.362 19.240 1.00 0.00 H new ATOM 0 HB3 GLU A 34 40.263 25.233 20.397 1.00 0.00 H new ATOM 0 HG2 GLU A 34 39.962 26.036 17.458 1.00 0.00 H new ATOM 0 HG3 GLU A 34 39.032 26.743 18.764 1.00 0.00 H new ATOM 556 N GLY A 35 41.371 21.803 19.092 1.00 0.00 N ATOM 557 CA GLY A 35 41.550 20.540 19.809 1.00 0.00 C ATOM 558 C GLY A 35 40.565 20.380 20.970 1.00 0.00 C ATOM 559 O GLY A 35 40.705 19.465 21.783 1.00 0.00 O ATOM 0 H GLY A 35 41.081 21.703 18.119 1.00 0.00 H new ATOM 0 HA2 GLY A 35 41.425 19.710 19.113 1.00 0.00 H new ATOM 0 HA3 GLY A 35 42.569 20.484 20.191 1.00 0.00 H new ATOM 563 N ILE A 36 39.568 21.261 21.050 1.00 0.00 N ATOM 564 CA ILE A 36 38.575 21.189 22.118 1.00 0.00 C ATOM 565 C ILE A 36 37.398 20.289 21.692 1.00 0.00 C ATOM 566 O ILE A 36 36.693 20.621 20.738 1.00 0.00 O ATOM 567 CB ILE A 36 38.058 22.596 22.418 1.00 0.00 C ATOM 568 CG1 ILE A 36 39.243 23.517 22.715 1.00 0.00 C ATOM 569 CG2 ILE A 36 37.139 22.552 23.634 1.00 0.00 C ATOM 570 CD1 ILE A 36 38.748 24.947 22.950 1.00 0.00 C ATOM 0 H ILE A 36 39.428 22.028 20.392 1.00 0.00 H new ATOM 0 HA ILE A 36 39.038 20.765 23.009 1.00 0.00 H new ATOM 0 HB ILE A 36 37.506 22.972 21.557 1.00 0.00 H new ATOM 0 HG12 ILE A 36 39.780 23.160 23.594 1.00 0.00 H new ATOM 0 HG13 ILE A 36 39.946 23.499 21.882 1.00 0.00 H new ATOM 0 HG21 ILE A 36 36.770 23.555 23.848 1.00 0.00 H new ATOM 0 HG22 ILE A 36 36.296 21.892 23.429 1.00 0.00 H new ATOM 0 HG23 ILE A 36 37.693 22.178 24.495 1.00 0.00 H new ATOM 0 HD11 ILE A 36 39.598 25.596 23.161 1.00 0.00 H new ATOM 0 HD12 ILE A 36 38.231 25.304 22.059 1.00 0.00 H new ATOM 0 HD13 ILE A 36 38.063 24.960 23.797 1.00 0.00 H new ATOM 582 N PRO A 37 37.158 19.172 22.358 1.00 0.00 N ATOM 583 CA PRO A 37 36.032 18.260 21.990 1.00 0.00 C ATOM 584 C PRO A 37 34.729 19.027 21.701 1.00 0.00 C ATOM 585 O PRO A 37 34.454 20.050 22.333 1.00 0.00 O ATOM 586 CB PRO A 37 35.882 17.362 23.223 1.00 0.00 C ATOM 587 CG PRO A 37 37.251 17.300 23.822 1.00 0.00 C ATOM 588 CD PRO A 37 37.919 18.647 23.512 1.00 0.00 C ATOM 0 HA PRO A 37 36.235 17.705 21.074 1.00 0.00 H new ATOM 0 HB2 PRO A 37 35.161 17.776 23.928 1.00 0.00 H new ATOM 0 HB3 PRO A 37 35.526 16.369 22.948 1.00 0.00 H new ATOM 0 HG2 PRO A 37 37.197 17.131 24.897 1.00 0.00 H new ATOM 0 HG3 PRO A 37 37.824 16.475 23.398 1.00 0.00 H new ATOM 0 HD2 PRO A 37 37.866 19.323 24.365 1.00 0.00 H new ATOM 0 HD3 PRO A 37 38.974 18.522 23.270 1.00 0.00 H new ATOM 596 N PRO A 38 33.929 18.563 20.767 1.00 0.00 N ATOM 597 CA PRO A 38 32.646 19.238 20.403 1.00 0.00 C ATOM 598 C PRO A 38 31.588 19.090 21.494 1.00 0.00 C ATOM 599 O PRO A 38 30.647 19.879 21.567 1.00 0.00 O ATOM 600 CB PRO A 38 32.228 18.525 19.111 1.00 0.00 C ATOM 601 CG PRO A 38 32.808 17.162 19.247 1.00 0.00 C ATOM 602 CD PRO A 38 34.145 17.351 19.957 1.00 0.00 C ATOM 0 HA PRO A 38 32.760 20.315 20.280 1.00 0.00 H new ATOM 0 HB2 PRO A 38 31.143 18.489 19.008 1.00 0.00 H new ATOM 0 HB3 PRO A 38 32.615 19.037 18.230 1.00 0.00 H new ATOM 0 HG2 PRO A 38 32.148 16.511 19.821 1.00 0.00 H new ATOM 0 HG3 PRO A 38 32.945 16.696 18.271 1.00 0.00 H new ATOM 0 HD2 PRO A 38 34.396 16.491 20.578 1.00 0.00 H new ATOM 0 HD3 PRO A 38 34.962 17.481 19.248 1.00 0.00 H new ATOM 610 N ASP A 39 31.747 18.074 22.334 1.00 0.00 N ATOM 611 CA ASP A 39 30.792 17.835 23.409 1.00 0.00 C ATOM 612 C ASP A 39 31.026 18.809 24.559 1.00 0.00 C ATOM 613 O ASP A 39 30.206 18.908 25.471 1.00 0.00 O ATOM 614 CB ASP A 39 30.921 16.400 23.918 1.00 0.00 C ATOM 615 CG ASP A 39 30.599 15.419 22.794 1.00 0.00 C ATOM 616 OD1 ASP A 39 31.511 15.065 22.065 1.00 0.00 O ATOM 617 OD2 ASP A 39 29.448 15.034 22.682 1.00 0.00 O ATOM 0 H ASP A 39 32.519 17.409 22.293 1.00 0.00 H new ATOM 0 HA ASP A 39 29.787 17.989 23.016 1.00 0.00 H new ATOM 0 HB2 ASP A 39 31.932 16.225 24.287 1.00 0.00 H new ATOM 0 HB3 ASP A 39 30.244 16.240 24.757 1.00 0.00 H new ATOM 622 N GLN A 40 32.153 19.531 24.515 1.00 0.00 N ATOM 623 CA GLN A 40 32.483 20.494 25.567 1.00 0.00 C ATOM 624 C GLN A 40 32.209 21.920 25.104 1.00 0.00 C ATOM 625 O GLN A 40 32.278 22.858 25.897 1.00 0.00 O ATOM 626 CB GLN A 40 33.963 20.369 25.932 1.00 0.00 C ATOM 627 CG GLN A 40 34.230 18.996 26.551 1.00 0.00 C ATOM 628 CD GLN A 40 33.609 18.922 27.941 1.00 0.00 C ATOM 629 OE1 GLN A 40 32.736 18.090 28.187 1.00 0.00 O ATOM 630 NE2 GLN A 40 34.011 19.747 28.869 1.00 0.00 N ATOM 0 H GLN A 40 32.845 19.466 23.768 1.00 0.00 H new ATOM 0 HA GLN A 40 31.860 20.277 26.435 1.00 0.00 H new ATOM 0 HB2 GLN A 40 34.579 20.503 25.043 1.00 0.00 H new ATOM 0 HB3 GLN A 40 34.241 21.155 26.634 1.00 0.00 H new ATOM 0 HG2 GLN A 40 33.814 18.214 25.916 1.00 0.00 H new ATOM 0 HG3 GLN A 40 35.304 18.818 26.613 1.00 0.00 H new ATOM 0 HE21 GLN A 40 34.735 20.435 28.661 1.00 0.00 H new ATOM 0 HE22 GLN A 40 33.601 19.704 29.802 1.00 0.00 H new ATOM 639 N GLN A 41 31.918 22.084 23.812 1.00 0.00 N ATOM 640 CA GLN A 41 31.663 23.415 23.250 1.00 0.00 C ATOM 641 C GLN A 41 30.238 23.553 22.729 1.00 0.00 C ATOM 642 O GLN A 41 29.645 22.601 22.220 1.00 0.00 O ATOM 643 CB GLN A 41 32.631 23.674 22.094 1.00 0.00 C ATOM 644 CG GLN A 41 34.055 23.806 22.633 1.00 0.00 C ATOM 645 CD GLN A 41 35.042 23.842 21.472 1.00 0.00 C ATOM 646 OE1 GLN A 41 35.824 24.875 21.323 1.00 0.00 O flip ATOM 647 NE2 GLN A 41 35.100 22.903 20.677 1.00 0.00 N flip ATOM 0 H GLN A 41 31.853 21.320 23.139 1.00 0.00 H new ATOM 0 HA GLN A 41 31.807 24.140 24.051 1.00 0.00 H new ATOM 0 HB2 GLN A 41 32.579 22.858 21.374 1.00 0.00 H new ATOM 0 HB3 GLN A 41 32.346 24.584 21.566 1.00 0.00 H new ATOM 0 HG2 GLN A 41 34.146 24.714 23.229 1.00 0.00 H new ATOM 0 HG3 GLN A 41 34.284 22.968 23.292 1.00 0.00 H new ATOM 0 HE21 GLN A 41 34.488 22.096 20.795 1.00 0.00 H new ATOM 0 HE22 GLN A 41 35.761 22.932 19.900 1.00 0.00 H new ATOM 656 N ARG A 42 29.715 24.772 22.838 1.00 0.00 N ATOM 657 CA ARG A 42 28.372 25.101 22.362 1.00 0.00 C ATOM 658 C ARG A 42 28.463 26.358 21.501 1.00 0.00 C ATOM 659 O ARG A 42 29.156 27.310 21.865 1.00 0.00 O ATOM 660 CB ARG A 42 27.429 25.349 23.547 1.00 0.00 C ATOM 661 CG ARG A 42 27.448 24.135 24.508 1.00 0.00 C ATOM 662 CD ARG A 42 26.047 23.889 25.077 1.00 0.00 C ATOM 663 NE ARG A 42 25.527 25.104 25.697 1.00 0.00 N ATOM 664 CZ ARG A 42 25.893 25.464 26.924 1.00 0.00 C ATOM 665 NH1 ARG A 42 25.405 26.550 27.460 1.00 0.00 N ATOM 666 NH2 ARG A 42 26.742 24.733 27.594 1.00 0.00 N ATOM 0 H ARG A 42 30.209 25.559 23.258 1.00 0.00 H new ATOM 0 HA ARG A 42 27.975 24.270 21.779 1.00 0.00 H new ATOM 0 HB2 ARG A 42 27.733 26.249 24.081 1.00 0.00 H new ATOM 0 HB3 ARG A 42 26.415 25.520 23.185 1.00 0.00 H new ATOM 0 HG2 ARG A 42 27.794 23.248 23.978 1.00 0.00 H new ATOM 0 HG3 ARG A 42 28.152 24.316 25.320 1.00 0.00 H new ATOM 0 HD2 ARG A 42 25.377 23.564 24.281 1.00 0.00 H new ATOM 0 HD3 ARG A 42 26.082 23.085 25.812 1.00 0.00 H new ATOM 0 HE ARG A 42 24.870 25.688 25.179 1.00 0.00 H new ATOM 0 HH11 ARG A 42 24.742 27.123 26.938 1.00 0.00 H new ATOM 0 HH12 ARG A 42 25.686 26.825 28.401 1.00 0.00 H new ATOM 0 HH21 ARG A 42 27.125 23.885 27.177 1.00 0.00 H new ATOM 0 HH22 ARG A 42 27.022 25.010 28.535 1.00 0.00 H new ATOM 680 N LEU A 43 27.781 26.365 20.353 1.00 0.00 N ATOM 681 CA LEU A 43 27.820 27.523 19.450 1.00 0.00 C ATOM 682 C LEU A 43 26.479 28.256 19.456 1.00 0.00 C ATOM 683 O LEU A 43 25.427 27.644 19.255 1.00 0.00 O ATOM 684 CB LEU A 43 28.139 27.054 18.026 1.00 0.00 C ATOM 685 CG LEU A 43 29.270 26.019 18.053 1.00 0.00 C ATOM 686 CD1 LEU A 43 29.586 25.575 16.623 1.00 0.00 C ATOM 687 CD2 LEU A 43 30.525 26.634 18.683 1.00 0.00 C ATOM 0 H LEU A 43 27.201 25.592 20.027 1.00 0.00 H new ATOM 0 HA LEU A 43 28.595 28.207 19.796 1.00 0.00 H new ATOM 0 HB2 LEU A 43 27.249 26.620 17.570 1.00 0.00 H new ATOM 0 HB3 LEU A 43 28.429 27.906 17.411 1.00 0.00 H new ATOM 0 HG LEU A 43 28.956 25.159 18.645 1.00 0.00 H new ATOM 0 HD11 LEU A 43 30.390 24.839 16.640 1.00 0.00 H new ATOM 0 HD12 LEU A 43 28.697 25.131 16.175 1.00 0.00 H new ATOM 0 HD13 LEU A 43 29.897 26.438 16.034 1.00 0.00 H new ATOM 0 HD21 LEU A 43 31.324 25.893 18.699 1.00 0.00 H new ATOM 0 HD22 LEU A 43 30.841 27.497 18.096 1.00 0.00 H new ATOM 0 HD23 LEU A 43 30.303 26.950 19.702 1.00 0.00 H new ATOM 699 N ILE A 44 26.519 29.571 19.702 1.00 0.00 N ATOM 700 CA ILE A 44 25.299 30.386 19.747 1.00 0.00 C ATOM 701 C ILE A 44 25.408 31.607 18.826 1.00 0.00 C ATOM 702 O ILE A 44 26.475 32.221 18.692 1.00 0.00 O ATOM 703 CB ILE A 44 25.043 30.847 21.187 1.00 0.00 C ATOM 704 CG1 ILE A 44 25.182 29.643 22.129 1.00 0.00 C ATOM 705 CG2 ILE A 44 23.629 31.432 21.295 1.00 0.00 C ATOM 706 CD1 ILE A 44 24.657 29.998 23.524 1.00 0.00 C ATOM 0 H ILE A 44 27.379 30.092 19.872 1.00 0.00 H new ATOM 0 HA ILE A 44 24.467 29.773 19.399 1.00 0.00 H new ATOM 0 HB ILE A 44 25.767 31.613 21.465 1.00 0.00 H new ATOM 0 HG12 ILE A 44 24.628 28.794 21.729 1.00 0.00 H new ATOM 0 HG13 ILE A 44 26.227 29.340 22.192 1.00 0.00 H new ATOM 0 HG21 ILE A 44 23.448 31.759 22.319 1.00 0.00 H new ATOM 0 HG22 ILE A 44 23.535 32.283 20.620 1.00 0.00 H new ATOM 0 HG23 ILE A 44 22.898 30.670 21.023 1.00 0.00 H new ATOM 0 HD11 ILE A 44 24.761 29.136 24.182 1.00 0.00 H new ATOM 0 HD12 ILE A 44 25.230 30.833 23.927 1.00 0.00 H new ATOM 0 HD13 ILE A 44 23.606 30.278 23.457 1.00 0.00 H new ATOM 718 N PHE A 45 24.274 31.953 18.214 1.00 0.00 N ATOM 719 CA PHE A 45 24.182 33.101 17.311 1.00 0.00 C ATOM 720 C PHE A 45 22.779 33.687 17.405 1.00 0.00 C ATOM 721 O PHE A 45 21.808 32.946 17.550 1.00 0.00 O ATOM 722 CB PHE A 45 24.451 32.662 15.870 1.00 0.00 C ATOM 723 CG PHE A 45 24.289 33.839 14.931 1.00 0.00 C ATOM 724 CD1 PHE A 45 25.341 34.745 14.752 1.00 0.00 C ATOM 725 CD2 PHE A 45 23.088 34.016 14.230 1.00 0.00 C ATOM 726 CE1 PHE A 45 25.193 35.829 13.877 1.00 0.00 C ATOM 727 CE2 PHE A 45 22.940 35.102 13.355 1.00 0.00 C ATOM 728 CZ PHE A 45 23.993 36.006 13.177 1.00 0.00 C ATOM 0 H PHE A 45 23.396 31.447 18.330 1.00 0.00 H new ATOM 0 HA PHE A 45 24.923 33.847 17.597 1.00 0.00 H new ATOM 0 HB2 PHE A 45 25.459 32.256 15.787 1.00 0.00 H new ATOM 0 HB3 PHE A 45 23.762 31.865 15.589 1.00 0.00 H new ATOM 0 HD1 PHE A 45 26.268 34.608 15.289 1.00 0.00 H new ATOM 0 HD2 PHE A 45 22.277 33.316 14.364 1.00 0.00 H new ATOM 0 HE1 PHE A 45 26.005 36.529 13.742 1.00 0.00 H new ATOM 0 HE2 PHE A 45 22.013 35.241 12.818 1.00 0.00 H new ATOM 0 HZ PHE A 45 23.880 36.840 12.500 1.00 0.00 H new ATOM 738 N ALA A 46 22.658 35.007 17.327 1.00 0.00 N ATOM 739 CA ALA A 46 21.341 35.625 17.421 1.00 0.00 C ATOM 740 C ALA A 46 20.618 35.086 18.653 1.00 0.00 C ATOM 741 O ALA A 46 19.412 34.834 18.631 1.00 0.00 O ATOM 742 CB ALA A 46 20.531 35.328 16.156 1.00 0.00 C ATOM 0 H ALA A 46 23.435 35.656 17.202 1.00 0.00 H new ATOM 0 HA ALA A 46 21.451 36.705 17.514 1.00 0.00 H new ATOM 0 HB1 ALA A 46 19.549 35.794 16.235 1.00 0.00 H new ATOM 0 HB2 ALA A 46 21.053 35.728 15.287 1.00 0.00 H new ATOM 0 HB3 ALA A 46 20.414 34.250 16.044 1.00 0.00 H new ATOM 748 N GLY A 47 21.389 34.918 19.722 1.00 0.00 N ATOM 749 CA GLY A 47 20.874 34.424 20.995 1.00 0.00 C ATOM 750 C GLY A 47 20.309 33.003 20.912 1.00 0.00 C ATOM 751 O GLY A 47 19.676 32.543 21.862 1.00 0.00 O ATOM 0 H GLY A 47 22.389 35.120 19.731 1.00 0.00 H new ATOM 0 HA2 GLY A 47 21.674 34.446 21.735 1.00 0.00 H new ATOM 0 HA3 GLY A 47 20.093 35.097 21.349 1.00 0.00 H new ATOM 755 N LYS A 48 20.526 32.302 19.791 1.00 0.00 N ATOM 756 CA LYS A 48 20.009 30.926 19.643 1.00 0.00 C ATOM 757 C LYS A 48 21.137 29.913 19.470 1.00 0.00 C ATOM 758 O LYS A 48 22.112 30.160 18.760 1.00 0.00 O ATOM 759 CB LYS A 48 19.082 30.825 18.433 1.00 0.00 C ATOM 760 CG LYS A 48 17.821 31.655 18.666 1.00 0.00 C ATOM 761 CD LYS A 48 16.846 31.400 17.516 1.00 0.00 C ATOM 762 CE LYS A 48 15.651 32.346 17.629 1.00 0.00 C ATOM 763 NZ LYS A 48 14.960 32.121 18.929 1.00 0.00 N ATOM 0 H LYS A 48 21.045 32.652 18.986 1.00 0.00 H new ATOM 0 HA LYS A 48 19.461 30.697 20.557 1.00 0.00 H new ATOM 0 HB2 LYS A 48 19.598 31.177 17.540 1.00 0.00 H new ATOM 0 HB3 LYS A 48 18.814 29.783 18.257 1.00 0.00 H new ATOM 0 HG2 LYS A 48 17.362 31.386 19.617 1.00 0.00 H new ATOM 0 HG3 LYS A 48 18.071 32.714 18.721 1.00 0.00 H new ATOM 0 HD2 LYS A 48 17.350 31.549 16.561 1.00 0.00 H new ATOM 0 HD3 LYS A 48 16.505 30.365 17.539 1.00 0.00 H new ATOM 0 HE2 LYS A 48 15.985 33.381 17.557 1.00 0.00 H new ATOM 0 HE3 LYS A 48 14.960 32.176 16.803 1.00 0.00 H new ATOM 0 HZ1 LYS A 48 14.014 32.552 18.898 1.00 0.00 H new ATOM 0 HZ2 LYS A 48 14.870 31.099 19.102 1.00 0.00 H new ATOM 0 HZ3 LYS A 48 15.513 32.554 19.696 1.00 0.00 H new ATOM 777 N GLN A 49 20.974 28.756 20.112 1.00 0.00 N ATOM 778 CA GLN A 49 21.950 27.682 20.024 1.00 0.00 C ATOM 779 C GLN A 49 21.712 26.863 18.757 1.00 0.00 C ATOM 780 O GLN A 49 20.574 26.522 18.437 1.00 0.00 O ATOM 781 CB GLN A 49 21.826 26.776 21.252 1.00 0.00 C ATOM 782 CG GLN A 49 23.039 25.850 21.337 1.00 0.00 C ATOM 783 CD GLN A 49 22.830 24.816 22.439 1.00 0.00 C ATOM 784 OE1 GLN A 49 22.259 25.127 23.485 1.00 0.00 O ATOM 785 NE2 GLN A 49 23.261 23.596 22.267 1.00 0.00 N ATOM 0 H GLN A 49 20.169 28.543 20.701 1.00 0.00 H new ATOM 0 HA GLN A 49 22.951 28.111 19.988 1.00 0.00 H new ATOM 0 HB2 GLN A 49 21.755 27.381 22.156 1.00 0.00 H new ATOM 0 HB3 GLN A 49 20.911 26.187 21.190 1.00 0.00 H new ATOM 0 HG2 GLN A 49 23.192 25.349 20.381 1.00 0.00 H new ATOM 0 HG3 GLN A 49 23.938 26.432 21.539 1.00 0.00 H new ATOM 0 HE21 GLN A 49 23.734 23.340 21.400 1.00 0.00 H new ATOM 0 HE22 GLN A 49 23.125 22.899 22.999 1.00 0.00 H new ATOM 794 N LEU A 50 22.783 26.564 18.033 1.00 0.00 N ATOM 795 CA LEU A 50 22.661 25.797 16.793 1.00 0.00 C ATOM 796 C LEU A 50 22.454 24.310 17.084 1.00 0.00 C ATOM 797 O LEU A 50 23.179 23.715 17.882 1.00 0.00 O ATOM 798 CB LEU A 50 23.909 25.993 15.932 1.00 0.00 C ATOM 799 CG LEU A 50 24.300 27.474 15.931 1.00 0.00 C ATOM 800 CD1 LEU A 50 25.485 27.690 14.988 1.00 0.00 C ATOM 801 CD2 LEU A 50 23.112 28.323 15.460 1.00 0.00 C ATOM 0 H LEU A 50 23.736 26.835 18.276 1.00 0.00 H new ATOM 0 HA LEU A 50 21.789 26.162 16.251 1.00 0.00 H new ATOM 0 HB2 LEU A 50 24.730 25.389 16.319 1.00 0.00 H new ATOM 0 HB3 LEU A 50 23.718 25.655 14.913 1.00 0.00 H new ATOM 0 HG LEU A 50 24.579 27.772 16.942 1.00 0.00 H new ATOM 0 HD11 LEU A 50 25.762 28.744 14.988 1.00 0.00 H new ATOM 0 HD12 LEU A 50 26.332 27.092 15.325 1.00 0.00 H new ATOM 0 HD13 LEU A 50 25.206 27.388 13.978 1.00 0.00 H new ATOM 0 HD21 LEU A 50 23.394 29.376 15.461 1.00 0.00 H new ATOM 0 HD22 LEU A 50 22.829 28.024 14.451 1.00 0.00 H new ATOM 0 HD23 LEU A 50 22.268 28.173 16.133 1.00 0.00 H new ATOM 813 N GLU A 51 21.437 23.728 16.445 1.00 0.00 N ATOM 814 CA GLU A 51 21.108 22.315 16.644 1.00 0.00 C ATOM 815 C GLU A 51 21.878 21.416 15.683 1.00 0.00 C ATOM 816 O GLU A 51 22.089 21.750 14.513 1.00 0.00 O ATOM 817 CB GLU A 51 19.600 22.099 16.442 1.00 0.00 C ATOM 818 CG GLU A 51 18.845 22.497 17.712 1.00 0.00 C ATOM 819 CD GLU A 51 17.355 22.212 17.548 1.00 0.00 C ATOM 820 OE1 GLU A 51 17.024 21.318 16.786 1.00 0.00 O ATOM 821 OE2 GLU A 51 16.568 22.889 18.187 1.00 0.00 O ATOM 0 H GLU A 51 20.828 24.213 15.786 1.00 0.00 H new ATOM 0 HA GLU A 51 21.393 22.049 17.662 1.00 0.00 H new ATOM 0 HB2 GLU A 51 19.248 22.692 15.598 1.00 0.00 H new ATOM 0 HB3 GLU A 51 19.402 21.054 16.202 1.00 0.00 H new ATOM 0 HG2 GLU A 51 19.237 21.944 18.566 1.00 0.00 H new ATOM 0 HG3 GLU A 51 19.000 23.556 17.920 1.00 0.00 H new ATOM 828 N ASP A 52 22.273 20.257 16.190 1.00 0.00 N ATOM 829 CA ASP A 52 22.999 19.291 15.394 1.00 0.00 C ATOM 830 C ASP A 52 22.117 18.745 14.274 1.00 0.00 C ATOM 831 O ASP A 52 20.938 18.461 14.484 1.00 0.00 O ATOM 832 CB ASP A 52 23.476 18.141 16.282 1.00 0.00 C ATOM 833 CG ASP A 52 24.460 18.661 17.324 1.00 0.00 C ATOM 834 OD1 ASP A 52 24.048 19.450 18.158 1.00 0.00 O ATOM 835 OD2 ASP A 52 25.612 18.262 17.273 1.00 0.00 O ATOM 0 H ASP A 52 22.100 19.967 17.152 1.00 0.00 H new ATOM 0 HA ASP A 52 23.861 19.787 14.948 1.00 0.00 H new ATOM 0 HB2 ASP A 52 22.624 17.674 16.776 1.00 0.00 H new ATOM 0 HB3 ASP A 52 23.951 17.373 15.672 1.00 0.00 H new ATOM 840 N GLY A 53 22.697 18.594 13.085 1.00 0.00 N ATOM 841 CA GLY A 53 21.958 18.072 11.934 1.00 0.00 C ATOM 842 C GLY A 53 21.409 19.196 11.055 1.00 0.00 C ATOM 843 O GLY A 53 20.924 18.942 9.952 1.00 0.00 O ATOM 0 H GLY A 53 23.672 18.824 12.892 1.00 0.00 H new ATOM 0 HA2 GLY A 53 22.613 17.433 11.341 1.00 0.00 H new ATOM 0 HA3 GLY A 53 21.135 17.448 12.283 1.00 0.00 H new ATOM 847 N ARG A 54 21.489 20.442 11.534 1.00 0.00 N ATOM 848 CA ARG A 54 21.000 21.582 10.746 1.00 0.00 C ATOM 849 C ARG A 54 22.150 22.243 9.986 1.00 0.00 C ATOM 850 O ARG A 54 23.310 22.137 10.381 1.00 0.00 O ATOM 851 CB ARG A 54 20.335 22.614 11.659 1.00 0.00 C ATOM 852 CG ARG A 54 19.080 22.007 12.295 1.00 0.00 C ATOM 853 CD ARG A 54 18.211 23.124 12.872 1.00 0.00 C ATOM 854 NE ARG A 54 17.113 22.560 13.648 1.00 0.00 N ATOM 855 CZ ARG A 54 16.140 23.333 14.118 1.00 0.00 C ATOM 856 NH1 ARG A 54 15.186 22.814 14.843 1.00 0.00 N ATOM 857 NH2 ARG A 54 16.134 24.609 13.848 1.00 0.00 N ATOM 0 H ARG A 54 21.879 20.686 12.444 1.00 0.00 H new ATOM 0 HA ARG A 54 20.268 21.209 10.030 1.00 0.00 H new ATOM 0 HB2 ARG A 54 21.032 22.930 12.436 1.00 0.00 H new ATOM 0 HB3 ARG A 54 20.071 23.503 11.087 1.00 0.00 H new ATOM 0 HG2 ARG A 54 18.519 21.442 11.551 1.00 0.00 H new ATOM 0 HG3 ARG A 54 19.360 21.306 13.082 1.00 0.00 H new ATOM 0 HD2 ARG A 54 18.815 23.775 13.504 1.00 0.00 H new ATOM 0 HD3 ARG A 54 17.816 23.741 12.065 1.00 0.00 H new ATOM 0 HE ARG A 54 17.092 21.557 13.833 1.00 0.00 H new ATOM 0 HH11 ARG A 54 15.188 21.815 15.049 1.00 0.00 H new ATOM 0 HH12 ARG A 54 14.439 23.408 15.204 1.00 0.00 H new ATOM 0 HH21 ARG A 54 16.876 25.013 13.276 1.00 0.00 H new ATOM 0 HH22 ARG A 54 15.387 25.203 14.208 1.00 0.00 H new ATOM 871 N THR A 55 21.817 22.929 8.892 1.00 0.00 N ATOM 872 CA THR A 55 22.823 23.619 8.076 1.00 0.00 C ATOM 873 C THR A 55 22.842 25.102 8.431 1.00 0.00 C ATOM 874 O THR A 55 21.883 25.613 9.001 1.00 0.00 O ATOM 875 CB THR A 55 22.491 23.453 6.590 1.00 0.00 C ATOM 876 OG1 THR A 55 21.158 23.885 6.356 1.00 0.00 O ATOM 877 CG2 THR A 55 22.631 21.981 6.191 1.00 0.00 C ATOM 0 H THR A 55 20.861 23.023 8.549 1.00 0.00 H new ATOM 0 HA THR A 55 23.803 23.185 8.276 1.00 0.00 H new ATOM 0 HB THR A 55 23.180 24.053 5.995 1.00 0.00 H new ATOM 0 HG1 THR A 55 20.850 24.422 7.116 1.00 0.00 H new ATOM 0 HG21 THR A 55 22.394 21.867 5.133 1.00 0.00 H new ATOM 0 HG22 THR A 55 23.654 21.651 6.371 1.00 0.00 H new ATOM 0 HG23 THR A 55 21.945 21.376 6.784 1.00 0.00 H new ATOM 885 N LEU A 56 23.925 25.799 8.092 1.00 0.00 N ATOM 886 CA LEU A 56 24.004 27.223 8.402 1.00 0.00 C ATOM 887 C LEU A 56 22.839 27.967 7.741 1.00 0.00 C ATOM 888 O LEU A 56 22.250 28.857 8.352 1.00 0.00 O ATOM 889 CB LEU A 56 25.364 27.815 7.951 1.00 0.00 C ATOM 890 CG LEU A 56 26.384 27.779 9.108 1.00 0.00 C ATOM 891 CD1 LEU A 56 26.785 26.330 9.402 1.00 0.00 C ATOM 892 CD2 LEU A 56 27.628 28.590 8.716 1.00 0.00 C ATOM 0 H LEU A 56 24.740 25.413 7.615 1.00 0.00 H new ATOM 0 HA LEU A 56 23.931 27.348 9.482 1.00 0.00 H new ATOM 0 HB2 LEU A 56 25.749 27.250 7.102 1.00 0.00 H new ATOM 0 HB3 LEU A 56 25.225 28.842 7.613 1.00 0.00 H new ATOM 0 HG LEU A 56 25.933 28.212 10.001 1.00 0.00 H new ATOM 0 HD11 LEU A 56 27.505 26.311 10.220 1.00 0.00 H new ATOM 0 HD12 LEU A 56 25.901 25.758 9.683 1.00 0.00 H new ATOM 0 HD13 LEU A 56 27.234 25.889 8.512 1.00 0.00 H new ATOM 0 HD21 LEU A 56 28.350 28.566 9.532 1.00 0.00 H new ATOM 0 HD22 LEU A 56 28.077 28.158 7.821 1.00 0.00 H new ATOM 0 HD23 LEU A 56 27.341 29.622 8.516 1.00 0.00 H new ATOM 904 N SER A 57 22.515 27.613 6.495 1.00 0.00 N ATOM 905 CA SER A 57 21.420 28.276 5.791 1.00 0.00 C ATOM 906 C SER A 57 20.199 28.380 6.692 1.00 0.00 C ATOM 907 O SER A 57 19.459 29.363 6.638 1.00 0.00 O ATOM 908 CB SER A 57 21.045 27.499 4.527 1.00 0.00 C ATOM 909 OG SER A 57 22.161 27.456 3.649 1.00 0.00 O ATOM 0 H SER A 57 22.988 26.883 5.962 1.00 0.00 H new ATOM 0 HA SER A 57 21.754 29.276 5.513 1.00 0.00 H new ATOM 0 HB2 SER A 57 20.735 26.487 4.788 1.00 0.00 H new ATOM 0 HB3 SER A 57 20.198 27.975 4.033 1.00 0.00 H new ATOM 0 HG SER A 57 22.956 27.169 4.144 1.00 0.00 H new ATOM 915 N ASP A 58 19.995 27.366 7.528 1.00 0.00 N ATOM 916 CA ASP A 58 18.863 27.370 8.442 1.00 0.00 C ATOM 917 C ASP A 58 18.909 28.633 9.291 1.00 0.00 C ATOM 918 O ASP A 58 17.898 29.307 9.485 1.00 0.00 O ATOM 919 CB ASP A 58 18.917 26.134 9.346 1.00 0.00 C ATOM 920 CG ASP A 58 18.920 24.861 8.503 1.00 0.00 C ATOM 921 OD1 ASP A 58 19.066 24.971 7.297 1.00 0.00 O ATOM 922 OD2 ASP A 58 18.775 23.793 9.077 1.00 0.00 O ATOM 0 H ASP A 58 20.592 26.541 7.590 1.00 0.00 H new ATOM 0 HA ASP A 58 17.935 27.348 7.871 1.00 0.00 H new ATOM 0 HB2 ASP A 58 19.812 26.169 9.968 1.00 0.00 H new ATOM 0 HB3 ASP A 58 18.060 26.130 10.020 1.00 0.00 H new ATOM 927 N TYR A 59 20.108 28.944 9.777 1.00 0.00 N ATOM 928 CA TYR A 59 20.341 30.128 10.598 1.00 0.00 C ATOM 929 C TYR A 59 21.006 31.213 9.751 1.00 0.00 C ATOM 930 O TYR A 59 22.188 31.106 9.460 1.00 0.00 O ATOM 931 CB TYR A 59 21.277 29.757 11.751 1.00 0.00 C ATOM 932 CG TYR A 59 20.648 28.675 12.597 1.00 0.00 C ATOM 933 CD1 TYR A 59 20.925 27.325 12.335 1.00 0.00 C ATOM 934 CD2 TYR A 59 19.793 29.021 13.646 1.00 0.00 C ATOM 935 CE1 TYR A 59 20.345 26.325 13.126 1.00 0.00 C ATOM 936 CE2 TYR A 59 19.212 28.023 14.436 1.00 0.00 C ATOM 937 CZ TYR A 59 19.487 26.675 14.177 1.00 0.00 C ATOM 938 OH TYR A 59 18.915 25.692 14.957 1.00 0.00 O ATOM 0 H TYR A 59 20.944 28.383 9.613 1.00 0.00 H new ATOM 0 HA TYR A 59 19.392 30.496 10.987 1.00 0.00 H new ATOM 0 HB2 TYR A 59 22.234 29.413 11.358 1.00 0.00 H new ATOM 0 HB3 TYR A 59 21.481 30.636 12.362 1.00 0.00 H new ATOM 0 HD1 TYR A 59 21.585 27.057 11.524 1.00 0.00 H new ATOM 0 HD2 TYR A 59 19.580 30.060 13.848 1.00 0.00 H new ATOM 0 HE1 TYR A 59 20.559 25.285 12.926 1.00 0.00 H new ATOM 0 HE2 TYR A 59 18.551 28.293 15.246 1.00 0.00 H new ATOM 0 HH TYR A 59 18.348 26.106 15.641 1.00 0.00 H new ATOM 948 N ASN A 60 20.225 32.210 9.314 1.00 0.00 N ATOM 949 CA ASN A 60 20.736 33.288 8.442 1.00 0.00 C ATOM 950 C ASN A 60 22.070 33.900 8.913 1.00 0.00 C ATOM 951 O ASN A 60 22.134 35.076 9.272 1.00 0.00 O ATOM 952 CB ASN A 60 19.687 34.400 8.311 1.00 0.00 C ATOM 953 CG ASN A 60 19.373 34.996 9.680 1.00 0.00 C ATOM 954 OD1 ASN A 60 19.842 34.489 10.697 1.00 0.00 O ATOM 955 ND2 ASN A 60 18.601 36.046 9.765 1.00 0.00 N ATOM 0 H ASN A 60 19.236 32.297 9.548 1.00 0.00 H new ATOM 0 HA ASN A 60 20.931 32.821 7.477 1.00 0.00 H new ATOM 0 HB2 ASN A 60 20.055 35.179 7.643 1.00 0.00 H new ATOM 0 HB3 ASN A 60 18.777 34.000 7.864 1.00 0.00 H new ATOM 0 HD21 ASN A 60 18.385 36.448 10.677 1.00 0.00 H new ATOM 0 HD22 ASN A 60 18.214 36.464 8.919 1.00 0.00 H new ATOM 962 N ILE A 61 23.127 33.091 8.871 1.00 0.00 N ATOM 963 CA ILE A 61 24.475 33.520 9.246 1.00 0.00 C ATOM 964 C ILE A 61 25.262 33.835 7.972 1.00 0.00 C ATOM 965 O ILE A 61 25.757 32.926 7.309 1.00 0.00 O ATOM 966 CB ILE A 61 25.184 32.386 9.997 1.00 0.00 C ATOM 967 CG1 ILE A 61 24.488 32.121 11.334 1.00 0.00 C ATOM 968 CG2 ILE A 61 26.646 32.766 10.251 1.00 0.00 C ATOM 969 CD1 ILE A 61 25.021 30.812 11.924 1.00 0.00 C ATOM 0 H ILE A 61 23.074 32.116 8.575 1.00 0.00 H new ATOM 0 HA ILE A 61 24.416 34.401 9.885 1.00 0.00 H new ATOM 0 HB ILE A 61 25.143 31.483 9.387 1.00 0.00 H new ATOM 0 HG12 ILE A 61 24.670 32.946 12.023 1.00 0.00 H new ATOM 0 HG13 ILE A 61 23.409 32.057 11.191 1.00 0.00 H new ATOM 0 HG21 ILE A 61 27.145 31.957 10.785 1.00 0.00 H new ATOM 0 HG22 ILE A 61 27.148 32.936 9.299 1.00 0.00 H new ATOM 0 HG23 ILE A 61 26.687 33.675 10.851 1.00 0.00 H new ATOM 0 HD11 ILE A 61 24.530 30.616 12.877 1.00 0.00 H new ATOM 0 HD12 ILE A 61 24.816 29.992 11.235 1.00 0.00 H new ATOM 0 HD13 ILE A 61 26.097 30.895 12.080 1.00 0.00 H new ATOM 981 N GLN A 62 25.357 35.114 7.612 1.00 0.00 N ATOM 982 CA GLN A 62 26.067 35.494 6.385 1.00 0.00 C ATOM 983 C GLN A 62 27.574 35.598 6.592 1.00 0.00 C ATOM 984 O GLN A 62 28.078 35.454 7.706 1.00 0.00 O ATOM 985 CB GLN A 62 25.538 36.820 5.845 1.00 0.00 C ATOM 986 CG GLN A 62 24.014 36.763 5.757 1.00 0.00 C ATOM 987 CD GLN A 62 23.591 35.668 4.783 1.00 0.00 C ATOM 988 OE1 GLN A 62 24.273 35.487 3.685 1.00 0.00 O flip ATOM 989 NE2 GLN A 62 22.616 34.959 5.030 1.00 0.00 N flip ATOM 0 H GLN A 62 24.961 35.893 8.138 1.00 0.00 H new ATOM 0 HA GLN A 62 25.882 34.700 5.661 1.00 0.00 H new ATOM 0 HB2 GLN A 62 25.845 37.638 6.496 1.00 0.00 H new ATOM 0 HB3 GLN A 62 25.962 37.019 4.861 1.00 0.00 H new ATOM 0 HG2 GLN A 62 23.591 36.568 6.743 1.00 0.00 H new ATOM 0 HG3 GLN A 62 23.624 37.726 5.427 1.00 0.00 H new ATOM 0 HE21 GLN A 62 22.085 35.103 5.889 1.00 0.00 H new ATOM 0 HE22 GLN A 62 22.339 34.227 4.376 1.00 0.00 H new ATOM 998 N LYS A 63 28.279 35.825 5.486 1.00 0.00 N ATOM 999 CA LYS A 63 29.733 35.922 5.517 1.00 0.00 C ATOM 1000 C LYS A 63 30.208 37.068 6.404 1.00 0.00 C ATOM 1001 O LYS A 63 29.563 38.112 6.508 1.00 0.00 O ATOM 1002 CB LYS A 63 30.298 36.072 4.097 1.00 0.00 C ATOM 1003 CG LYS A 63 29.782 37.348 3.422 1.00 0.00 C ATOM 1004 CD LYS A 63 30.251 37.349 1.961 1.00 0.00 C ATOM 1005 CE LYS A 63 29.718 38.585 1.232 1.00 0.00 C ATOM 1006 NZ LYS A 63 30.428 39.799 1.724 1.00 0.00 N ATOM 0 H LYS A 63 27.867 35.945 4.561 1.00 0.00 H new ATOM 0 HA LYS A 63 30.110 34.995 5.949 1.00 0.00 H new ATOM 0 HB2 LYS A 63 31.387 36.095 4.138 1.00 0.00 H new ATOM 0 HB3 LYS A 63 30.019 35.204 3.499 1.00 0.00 H new ATOM 0 HG2 LYS A 63 28.694 37.389 3.471 1.00 0.00 H new ATOM 0 HG3 LYS A 63 30.158 38.230 3.941 1.00 0.00 H new ATOM 0 HD2 LYS A 63 31.340 37.337 1.922 1.00 0.00 H new ATOM 0 HD3 LYS A 63 29.904 36.445 1.460 1.00 0.00 H new ATOM 0 HE2 LYS A 63 29.863 38.477 0.157 1.00 0.00 H new ATOM 0 HE3 LYS A 63 28.646 38.685 1.400 1.00 0.00 H new ATOM 0 HZ1 LYS A 63 30.178 40.613 1.127 1.00 0.00 H new ATOM 0 HZ2 LYS A 63 30.147 39.991 2.707 1.00 0.00 H new ATOM 0 HZ3 LYS A 63 31.455 39.641 1.682 1.00 0.00 H new ATOM 1020 N GLU A 64 31.359 36.844 7.033 1.00 0.00 N ATOM 1021 CA GLU A 64 31.975 37.829 7.916 1.00 0.00 C ATOM 1022 C GLU A 64 31.041 38.235 9.056 1.00 0.00 C ATOM 1023 O GLU A 64 30.597 39.380 9.133 1.00 0.00 O ATOM 1024 CB GLU A 64 32.400 39.057 7.112 1.00 0.00 C ATOM 1025 CG GLU A 64 33.391 38.619 6.031 1.00 0.00 C ATOM 1026 CD GLU A 64 33.883 39.825 5.240 1.00 0.00 C ATOM 1027 OE1 GLU A 64 33.055 40.498 4.649 1.00 0.00 O ATOM 1028 OE2 GLU A 64 35.081 40.055 5.236 1.00 0.00 O ATOM 0 H GLU A 64 31.889 35.977 6.945 1.00 0.00 H new ATOM 0 HA GLU A 64 32.855 37.369 8.365 1.00 0.00 H new ATOM 0 HB2 GLU A 64 31.530 39.530 6.657 1.00 0.00 H new ATOM 0 HB3 GLU A 64 32.859 39.797 7.767 1.00 0.00 H new ATOM 0 HG2 GLU A 64 34.237 38.108 6.490 1.00 0.00 H new ATOM 0 HG3 GLU A 64 32.914 37.906 5.359 1.00 0.00 H new HETATM 1035 N SEP A 65 30.780 37.289 9.963 1.00 0.00 N HETATM 1036 CA SEP A 65 29.931 37.533 11.132 1.00 0.00 C HETATM 1037 CB SEP A 65 28.590 36.809 10.973 1.00 0.00 C HETATM 1038 OG SEP A 65 27.791 37.498 10.017 1.00 0.00 O HETATM 1039 C SEP A 65 30.654 37.009 12.371 1.00 0.00 C HETATM 1040 O SEP A 65 31.574 36.201 12.248 1.00 0.00 O HETATM 1041 P SEP A 65 27.185 38.873 10.351 1.00 0.00 P HETATM 1042 O1P SEP A 65 28.190 39.920 9.762 1.00 0.00 O HETATM 1043 O2P SEP A 65 27.087 38.921 11.914 1.00 0.00 O HETATM 1044 O3P SEP A 65 25.786 38.891 9.644 1.00 0.00 O HETATM 0 HB3 SEP A 65 28.755 35.781 10.652 1.00 0.00 H new HETATM 0 HB2 SEP A 65 28.072 36.764 11.931 1.00 0.00 H new HETATM 0 HA SEP A 65 29.738 38.601 11.230 1.00 0.00 H new ATOM 1049 N THR A 66 30.261 37.462 13.560 1.00 0.00 N ATOM 1050 CA THR A 66 30.917 37.004 14.790 1.00 0.00 C ATOM 1051 C THR A 66 30.091 35.921 15.476 1.00 0.00 C ATOM 1052 O THR A 66 28.942 36.149 15.856 1.00 0.00 O ATOM 1053 CB THR A 66 31.118 38.179 15.748 1.00 0.00 C ATOM 1054 OG1 THR A 66 31.993 39.128 15.149 1.00 0.00 O ATOM 1055 CG2 THR A 66 31.732 37.672 17.054 1.00 0.00 C ATOM 0 H THR A 66 29.506 38.133 13.701 1.00 0.00 H new ATOM 0 HA THR A 66 31.887 36.585 14.521 1.00 0.00 H new ATOM 0 HB THR A 66 30.157 38.649 15.958 1.00 0.00 H new ATOM 0 HG1 THR A 66 32.123 39.884 15.759 1.00 0.00 H new ATOM 0 HG21 THR A 66 31.876 38.509 17.737 1.00 0.00 H new ATOM 0 HG22 THR A 66 31.064 36.941 17.510 1.00 0.00 H new ATOM 0 HG23 THR A 66 32.694 37.204 16.846 1.00 0.00 H new ATOM 1063 N LEU A 67 30.693 34.740 15.634 1.00 0.00 N ATOM 1064 CA LEU A 67 30.024 33.610 16.279 1.00 0.00 C ATOM 1065 C LEU A 67 30.476 33.510 17.735 1.00 0.00 C ATOM 1066 O LEU A 67 31.642 33.789 18.046 1.00 0.00 O ATOM 1067 CB LEU A 67 30.371 32.312 15.538 1.00 0.00 C ATOM 1068 CG LEU A 67 29.558 31.137 16.105 1.00 0.00 C ATOM 1069 CD1 LEU A 67 28.055 31.352 15.840 1.00 0.00 C ATOM 1070 CD2 LEU A 67 30.027 29.830 15.442 1.00 0.00 C ATOM 0 H LEU A 67 31.644 34.542 15.323 1.00 0.00 H new ATOM 0 HA LEU A 67 28.945 33.763 16.247 1.00 0.00 H new ATOM 0 HB2 LEU A 67 30.163 32.426 14.474 1.00 0.00 H new ATOM 0 HB3 LEU A 67 31.437 32.105 15.634 1.00 0.00 H new ATOM 0 HG LEU A 67 29.715 31.077 17.182 1.00 0.00 H new ATOM 0 HD11 LEU A 67 27.490 30.513 16.246 1.00 0.00 H new ATOM 0 HD12 LEU A 67 27.729 32.275 16.320 1.00 0.00 H new ATOM 0 HD13 LEU A 67 27.881 31.420 14.766 1.00 0.00 H new ATOM 0 HD21 LEU A 67 29.453 28.993 15.841 1.00 0.00 H new ATOM 0 HD22 LEU A 67 29.875 29.894 14.365 1.00 0.00 H new ATOM 0 HD23 LEU A 67 31.086 29.676 15.650 1.00 0.00 H new ATOM 1082 N HIS A 68 29.566 33.113 18.636 1.00 0.00 N ATOM 1083 CA HIS A 68 29.918 32.991 20.049 1.00 0.00 C ATOM 1084 C HIS A 68 30.270 31.538 20.383 1.00 0.00 C ATOM 1085 O HIS A 68 29.447 30.641 20.197 1.00 0.00 O ATOM 1086 CB HIS A 68 28.742 33.445 20.917 1.00 0.00 C ATOM 1087 CG HIS A 68 28.392 34.871 20.585 1.00 0.00 C ATOM 1088 ND1 HIS A 68 29.201 35.937 20.949 1.00 0.00 N ATOM 1089 CD2 HIS A 68 27.322 35.423 19.924 1.00 0.00 C ATOM 1090 CE1 HIS A 68 28.611 37.064 20.508 1.00 0.00 C ATOM 1091 NE2 HIS A 68 27.463 36.807 19.876 1.00 0.00 N ATOM 0 H HIS A 68 28.599 32.876 18.413 1.00 0.00 H new ATOM 0 HA HIS A 68 30.783 33.622 20.251 1.00 0.00 H new ATOM 0 HB2 HIS A 68 27.881 32.799 20.747 1.00 0.00 H new ATOM 0 HB3 HIS A 68 29.001 33.359 21.972 1.00 0.00 H new ATOM 0 HD2 HIS A 68 26.496 34.867 19.505 1.00 0.00 H new ATOM 0 HE1 HIS A 68 29.017 38.055 20.648 1.00 0.00 H new ATOM 0 HE2 HIS A 68 26.826 37.480 19.450 1.00 0.00 H new ATOM 1100 N LEU A 69 31.488 31.306 20.888 1.00 0.00 N ATOM 1101 CA LEU A 69 31.930 29.974 21.253 1.00 0.00 C ATOM 1102 C LEU A 69 31.982 29.890 22.765 1.00 0.00 C ATOM 1103 O LEU A 69 32.855 30.471 23.412 1.00 0.00 O ATOM 1104 CB LEU A 69 33.311 29.700 20.652 1.00 0.00 C ATOM 1105 CG LEU A 69 33.632 28.195 20.715 1.00 0.00 C ATOM 1106 CD1 LEU A 69 34.918 27.912 19.932 1.00 0.00 C ATOM 1107 CD2 LEU A 69 33.814 27.749 22.181 1.00 0.00 C ATOM 0 H LEU A 69 32.182 32.036 21.050 1.00 0.00 H new ATOM 0 HA LEU A 69 31.239 29.225 20.866 1.00 0.00 H new ATOM 0 HB2 LEU A 69 33.339 30.042 19.617 1.00 0.00 H new ATOM 0 HB3 LEU A 69 34.070 30.264 21.195 1.00 0.00 H new ATOM 0 HG LEU A 69 32.804 27.639 20.275 1.00 0.00 H new ATOM 0 HD11 LEU A 69 35.144 26.847 19.977 1.00 0.00 H new ATOM 0 HD12 LEU A 69 34.784 28.211 18.892 1.00 0.00 H new ATOM 0 HD13 LEU A 69 35.742 28.477 20.369 1.00 0.00 H new ATOM 0 HD21 LEU A 69 34.040 26.683 22.212 1.00 0.00 H new ATOM 0 HD22 LEU A 69 34.634 28.307 22.632 1.00 0.00 H new ATOM 0 HD23 LEU A 69 32.896 27.941 22.736 1.00 0.00 H new ATOM 1119 N VAL A 70 31.034 29.157 23.312 1.00 0.00 N ATOM 1120 CA VAL A 70 30.933 28.966 24.757 1.00 0.00 C ATOM 1121 C VAL A 70 31.368 27.553 25.129 1.00 0.00 C ATOM 1122 O VAL A 70 31.107 26.600 24.396 1.00 0.00 O ATOM 1123 CB VAL A 70 29.489 29.202 25.200 1.00 0.00 C ATOM 1124 CG1 VAL A 70 29.385 29.064 26.719 1.00 0.00 C ATOM 1125 CG2 VAL A 70 29.057 30.611 24.785 1.00 0.00 C ATOM 0 H VAL A 70 30.312 28.676 22.776 1.00 0.00 H new ATOM 0 HA VAL A 70 31.587 29.677 25.262 1.00 0.00 H new ATOM 0 HB VAL A 70 28.840 28.464 24.728 1.00 0.00 H new ATOM 0 HG11 VAL A 70 28.354 29.233 27.030 1.00 0.00 H new ATOM 0 HG12 VAL A 70 29.694 28.061 27.015 1.00 0.00 H new ATOM 0 HG13 VAL A 70 30.033 29.799 27.196 1.00 0.00 H new ATOM 0 HG21 VAL A 70 28.028 30.783 25.099 1.00 0.00 H new ATOM 0 HG22 VAL A 70 29.709 31.346 25.258 1.00 0.00 H new ATOM 0 HG23 VAL A 70 29.127 30.709 23.702 1.00 0.00 H new ATOM 1135 N LEU A 71 32.040 27.429 26.269 1.00 0.00 N ATOM 1136 CA LEU A 71 32.518 26.132 26.730 1.00 0.00 C ATOM 1137 C LEU A 71 31.418 25.392 27.478 1.00 0.00 C ATOM 1138 O LEU A 71 30.282 25.860 27.559 1.00 0.00 O ATOM 1139 CB LEU A 71 33.737 26.305 27.640 1.00 0.00 C ATOM 1140 CG LEU A 71 34.656 27.406 27.086 1.00 0.00 C ATOM 1141 CD1 LEU A 71 35.994 27.379 27.833 1.00 0.00 C ATOM 1142 CD2 LEU A 71 34.904 27.180 25.586 1.00 0.00 C ATOM 0 H LEU A 71 32.265 28.208 26.888 1.00 0.00 H new ATOM 0 HA LEU A 71 32.807 25.546 25.858 1.00 0.00 H new ATOM 0 HB2 LEU A 71 33.414 26.563 28.649 1.00 0.00 H new ATOM 0 HB3 LEU A 71 34.284 25.365 27.711 1.00 0.00 H new ATOM 0 HG LEU A 71 34.176 28.374 27.227 1.00 0.00 H new ATOM 0 HD11 LEU A 71 36.646 28.160 27.440 1.00 0.00 H new ATOM 0 HD12 LEU A 71 35.821 27.551 28.895 1.00 0.00 H new ATOM 0 HD13 LEU A 71 36.468 26.407 27.695 1.00 0.00 H new ATOM 0 HD21 LEU A 71 35.556 27.965 25.203 1.00 0.00 H new ATOM 0 HD22 LEU A 71 35.378 26.210 25.438 1.00 0.00 H new ATOM 0 HD23 LEU A 71 33.954 27.205 25.052 1.00 0.00 H new ATOM 1154 N ARG A 72 31.770 24.237 28.023 1.00 0.00 N ATOM 1155 CA ARG A 72 30.809 23.436 28.771 1.00 0.00 C ATOM 1156 C ARG A 72 30.252 24.238 29.940 1.00 0.00 C ATOM 1157 O ARG A 72 29.039 24.325 30.126 1.00 0.00 O ATOM 1158 CB ARG A 72 31.487 22.169 29.295 1.00 0.00 C ATOM 1159 CG ARG A 72 30.471 21.323 30.064 1.00 0.00 C ATOM 1160 CD ARG A 72 31.109 19.989 30.452 1.00 0.00 C ATOM 1161 NE ARG A 72 30.160 19.178 31.207 1.00 0.00 N ATOM 1162 CZ ARG A 72 30.001 19.345 32.515 1.00 0.00 C ATOM 1163 NH1 ARG A 72 29.144 18.609 33.168 1.00 0.00 N ATOM 1164 NH2 ARG A 72 30.702 20.246 33.148 1.00 0.00 N ATOM 0 H ARG A 72 32.705 23.835 27.963 1.00 0.00 H new ATOM 0 HA ARG A 72 29.990 23.161 28.107 1.00 0.00 H new ATOM 0 HB2 ARG A 72 31.899 21.595 28.465 1.00 0.00 H new ATOM 0 HB3 ARG A 72 32.321 22.433 29.945 1.00 0.00 H new ATOM 0 HG2 ARG A 72 30.141 21.854 30.957 1.00 0.00 H new ATOM 0 HG3 ARG A 72 29.587 21.151 29.451 1.00 0.00 H new ATOM 0 HD2 ARG A 72 31.424 19.454 29.556 1.00 0.00 H new ATOM 0 HD3 ARG A 72 32.004 20.165 31.049 1.00 0.00 H new ATOM 0 HE ARG A 72 29.609 18.470 30.722 1.00 0.00 H new ATOM 0 HH11 ARG A 72 28.596 17.905 32.674 1.00 0.00 H new ATOM 0 HH12 ARG A 72 29.022 18.738 34.173 1.00 0.00 H new ATOM 0 HH21 ARG A 72 31.372 20.822 32.638 1.00 0.00 H new ATOM 0 HH22 ARG A 72 30.580 20.374 34.153 1.00 0.00 H new ATOM 1178 N LEU A 73 31.149 24.830 30.725 1.00 0.00 N ATOM 1179 CA LEU A 73 30.733 25.627 31.872 1.00 0.00 C ATOM 1180 C LEU A 73 30.065 26.918 31.406 1.00 0.00 C ATOM 1181 O LEU A 73 30.577 27.614 30.529 1.00 0.00 O ATOM 1182 CB LEU A 73 31.947 25.960 32.752 1.00 0.00 C ATOM 1183 CG LEU A 73 32.766 24.688 33.019 1.00 0.00 C ATOM 1184 CD1 LEU A 73 34.002 25.033 33.860 1.00 0.00 C ATOM 1185 CD2 LEU A 73 31.907 23.668 33.776 1.00 0.00 C ATOM 0 H LEU A 73 32.158 24.773 30.589 1.00 0.00 H new ATOM 0 HA LEU A 73 30.017 25.048 32.455 1.00 0.00 H new ATOM 0 HB2 LEU A 73 32.570 26.707 32.260 1.00 0.00 H new ATOM 0 HB3 LEU A 73 31.615 26.394 33.695 1.00 0.00 H new ATOM 0 HG LEU A 73 33.082 24.263 32.066 1.00 0.00 H new ATOM 0 HD11 LEU A 73 34.579 24.128 34.047 1.00 0.00 H new ATOM 0 HD12 LEU A 73 34.619 25.752 33.322 1.00 0.00 H new ATOM 0 HD13 LEU A 73 33.687 25.465 34.810 1.00 0.00 H new ATOM 0 HD21 LEU A 73 32.492 22.767 33.963 1.00 0.00 H new ATOM 0 HD22 LEU A 73 31.586 24.096 34.726 1.00 0.00 H new ATOM 0 HD23 LEU A 73 31.032 23.414 33.178 1.00 0.00 H new ATOM 1197 N ARG A 74 28.913 27.224 31.994 1.00 0.00 N ATOM 1198 CA ARG A 74 28.171 28.428 31.634 1.00 0.00 C ATOM 1199 C ARG A 74 29.001 29.677 31.915 1.00 0.00 C ATOM 1200 O ARG A 74 29.012 30.619 31.123 1.00 0.00 O ATOM 1201 CB ARG A 74 26.869 28.490 32.435 1.00 0.00 C ATOM 1202 CG ARG A 74 25.945 27.353 31.996 1.00 0.00 C ATOM 1203 CD ARG A 74 24.711 27.320 32.900 1.00 0.00 C ATOM 1204 NE ARG A 74 23.883 28.497 32.666 1.00 0.00 N ATOM 1205 CZ ARG A 74 22.971 28.883 33.553 1.00 0.00 C ATOM 1206 NH1 ARG A 74 22.239 29.938 33.321 1.00 0.00 N ATOM 1207 NH2 ARG A 74 22.809 28.207 34.658 1.00 0.00 N ATOM 0 H ARG A 74 28.474 26.657 32.720 1.00 0.00 H new ATOM 0 HA ARG A 74 27.946 28.390 30.568 1.00 0.00 H new ATOM 0 HB2 ARG A 74 27.081 28.409 33.501 1.00 0.00 H new ATOM 0 HB3 ARG A 74 26.379 29.451 32.279 1.00 0.00 H new ATOM 0 HG2 ARG A 74 25.645 27.495 30.958 1.00 0.00 H new ATOM 0 HG3 ARG A 74 26.473 26.401 32.048 1.00 0.00 H new ATOM 0 HD2 ARG A 74 24.134 26.416 32.706 1.00 0.00 H new ATOM 0 HD3 ARG A 74 25.018 27.284 33.945 1.00 0.00 H new ATOM 0 HE ARG A 74 24.006 29.033 31.807 1.00 0.00 H new ATOM 0 HH11 ARG A 74 22.366 30.467 32.458 1.00 0.00 H new ATOM 0 HH12 ARG A 74 21.540 30.233 34.002 1.00 0.00 H new ATOM 0 HH21 ARG A 74 23.382 27.383 34.841 1.00 0.00 H new ATOM 0 HH22 ARG A 74 22.109 28.503 35.339 1.00 0.00 H new ATOM 1221 N GLY A 75 29.696 29.677 33.048 1.00 0.00 N ATOM 1222 CA GLY A 75 30.525 30.817 33.423 1.00 0.00 C ATOM 1223 C GLY A 75 31.118 30.627 34.815 1.00 0.00 C ATOM 1224 O GLY A 75 31.045 29.540 35.389 1.00 0.00 O ATOM 0 H GLY A 75 29.702 28.907 33.717 1.00 0.00 H new ATOM 0 HA2 GLY A 75 31.327 30.942 32.696 1.00 0.00 H new ATOM 0 HA3 GLY A 75 29.928 31.729 33.399 1.00 0.00 H new ATOM 1228 N GLY A 76 31.708 31.691 35.353 1.00 0.00 N ATOM 1229 CA GLY A 76 32.312 31.627 36.679 1.00 0.00 C ATOM 1230 C GLY A 76 31.245 31.490 37.759 1.00 0.00 C ATOM 1231 O GLY A 76 30.273 30.793 37.518 1.00 0.00 O ATOM 1232 OXT GLY A 76 31.415 32.084 38.811 1.00 0.00 O ATOM 0 H GLY A 76 31.780 32.600 34.896 1.00 0.00 H new ATOM 0 HA2 GLY A 76 32.997 30.781 36.730 1.00 0.00 H new ATOM 0 HA3 GLY A 76 32.902 32.526 36.858 1.00 0.00 H new TER 1236 GLY A 76