USER MOD reduce.3.24.130724 H: found=0, std=0, add=628, rem=0, adj=19 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 Single : A 1 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Single : A 1 MET N :NH3+ 143:sc= 1 (180deg=0.132!) USER MOD Single : A 2 GLN : amide:sc= -2.88! C(o=-2.9!,f=-5!) USER MOD Single : A 6 LYS NZ :NH3+ -163:sc= -0.0232 (180deg=-0.295) USER MOD Single : A 7 THR OG1 : rot -42:sc= 0.929 USER MOD Single : A 9 THR OG1 : rot 180:sc= 0 USER MOD Single : A 11 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 12 THR OG1 : rot 180:sc= 0 USER MOD Single : A 14 THR OG1 : rot -88:sc= 0.384 USER MOD Single : A 20 SER OG : rot 180:sc= 0 USER MOD Single : A 22 THR OG1 : rot -171:sc= -0.563 USER MOD Single : A 25 ASN : amide:sc= -1.49 K(o=-1.5,f=-4.7!) USER MOD Single : A 27 LYS NZ :NH3+ -157:sc= -0.965 (180deg=-1.52) USER MOD Single : A 29 LYS NZ :NH3+ -167:sc=-0.00821 (180deg=-0.198) USER MOD Single : A 31 GLN :FLIP amide:sc= -0.384 F(o=-1.9!,f=-0.38) USER MOD Single : A 33 LYS NZ :NH3+ 147:sc= 0 (180deg=-1.51) USER MOD Single : A 40 GLN :FLIP amide:sc= 0 F(o=-0.98,f=0) USER MOD Single : A 41 GLN : amide:sc= -2.46 K(o=-2.5,f=-6.3!) USER MOD Single : A 48 LYS NZ :NH3+ 157:sc= -0.283 (180deg=-1.05) USER MOD Single : A 49 GLN : amide:sc= -0.0273 K(o=-0.027,f=-1.8!) USER MOD Single : A 55 THR OG1 : rot 180:sc= 0 USER MOD Single : A 57 SER OG : rot 77:sc= 0.256 USER MOD Single : A 59 TYR OH : rot 180:sc= 0 USER MOD Single : A 60 ASN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 62 GLN : amide:sc= 0 K(o=0,f=-1.4!) USER MOD Single : A 63 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 66 THR OG1 : rot 180:sc= 0 USER MOD Single : A 68 HIS : +bothHN:sc= -3.8! C(o=-3.8!,f=-8.5!) USER MOD ----------------------------------------------------------------- ATOM 1 N MET A 1 31.824 25.232 0.752 1.00 0.00 N ATOM 2 CA MET A 1 30.556 25.974 0.995 1.00 0.00 C ATOM 3 C MET A 1 30.840 27.188 1.871 1.00 0.00 C ATOM 4 O MET A 1 31.976 27.660 1.946 1.00 0.00 O ATOM 5 CB MET A 1 29.545 25.052 1.680 1.00 0.00 C ATOM 6 CG MET A 1 30.134 24.518 2.986 1.00 0.00 C ATOM 7 SD MET A 1 29.086 23.183 3.615 1.00 0.00 S ATOM 8 CE MET A 1 29.631 23.255 5.338 1.00 0.00 C ATOM 0 H1 MET A 1 31.632 24.210 0.746 1.00 0.00 H new ATOM 0 H2 MET A 1 32.222 25.515 -0.166 1.00 0.00 H new ATOM 0 H3 MET A 1 32.505 25.452 1.507 1.00 0.00 H new ATOM 0 HA MET A 1 30.139 26.310 0.046 1.00 0.00 H new ATOM 0 HB2 MET A 1 28.622 25.595 1.882 1.00 0.00 H new ATOM 0 HB3 MET A 1 29.289 24.223 1.020 1.00 0.00 H new ATOM 0 HG2 MET A 1 31.147 24.152 2.818 1.00 0.00 H new ATOM 0 HG3 MET A 1 30.202 25.319 3.722 1.00 0.00 H new ATOM 0 HE1 MET A 1 29.101 22.500 5.919 1.00 0.00 H new ATOM 0 HE2 MET A 1 30.703 23.065 5.389 1.00 0.00 H new ATOM 0 HE3 MET A 1 29.418 24.243 5.746 1.00 0.00 H new ATOM 20 N GLN A 2 29.803 27.693 2.537 1.00 0.00 N ATOM 21 CA GLN A 2 29.948 28.854 3.411 1.00 0.00 C ATOM 22 C GLN A 2 28.988 28.758 4.598 1.00 0.00 C ATOM 23 O GLN A 2 27.975 28.062 4.538 1.00 0.00 O ATOM 24 CB GLN A 2 29.659 30.136 2.623 1.00 0.00 C ATOM 25 CG GLN A 2 28.345 29.980 1.852 1.00 0.00 C ATOM 26 CD GLN A 2 28.556 29.087 0.633 1.00 0.00 C ATOM 27 OE1 GLN A 2 28.134 27.931 0.629 1.00 0.00 O ATOM 28 NE2 GLN A 2 29.187 29.557 -0.408 1.00 0.00 N ATOM 0 H GLN A 2 28.856 27.317 2.488 1.00 0.00 H new ATOM 0 HA GLN A 2 30.971 28.878 3.787 1.00 0.00 H new ATOM 0 HB2 GLN A 2 29.595 30.986 3.302 1.00 0.00 H new ATOM 0 HB3 GLN A 2 30.476 30.342 1.931 1.00 0.00 H new ATOM 0 HG2 GLN A 2 27.582 29.549 2.501 1.00 0.00 H new ATOM 0 HG3 GLN A 2 27.980 30.958 1.538 1.00 0.00 H new ATOM 0 HE21 GLN A 2 29.536 30.515 -0.403 1.00 0.00 H new ATOM 0 HE22 GLN A 2 29.331 28.966 -1.227 1.00 0.00 H new ATOM 37 N ILE A 3 29.318 29.473 5.670 1.00 0.00 N ATOM 38 CA ILE A 3 28.485 29.484 6.871 1.00 0.00 C ATOM 39 C ILE A 3 28.466 30.872 7.505 1.00 0.00 C ATOM 40 O ILE A 3 29.448 31.608 7.446 1.00 0.00 O ATOM 41 CB ILE A 3 29.001 28.464 7.879 1.00 0.00 C ATOM 42 CG1 ILE A 3 30.445 28.796 8.268 1.00 0.00 C ATOM 43 CG2 ILE A 3 28.954 27.064 7.265 1.00 0.00 C ATOM 44 CD1 ILE A 3 30.900 27.852 9.376 1.00 0.00 C ATOM 0 H ILE A 3 30.155 30.052 5.733 1.00 0.00 H new ATOM 0 HA ILE A 3 27.468 29.220 6.581 1.00 0.00 H new ATOM 0 HB ILE A 3 28.371 28.496 8.768 1.00 0.00 H new ATOM 0 HG12 ILE A 3 31.098 28.699 7.401 1.00 0.00 H new ATOM 0 HG13 ILE A 3 30.514 29.830 8.605 1.00 0.00 H new ATOM 0 HG21 ILE A 3 29.324 26.337 7.988 1.00 0.00 H new ATOM 0 HG22 ILE A 3 27.926 26.819 6.997 1.00 0.00 H new ATOM 0 HG23 ILE A 3 29.578 27.037 6.372 1.00 0.00 H new ATOM 0 HD11 ILE A 3 31.927 28.086 9.655 1.00 0.00 H new ATOM 0 HD12 ILE A 3 30.252 27.971 10.245 1.00 0.00 H new ATOM 0 HD13 ILE A 3 30.846 26.823 9.022 1.00 0.00 H new ATOM 56 N PHE A 4 27.331 31.226 8.101 1.00 0.00 N ATOM 57 CA PHE A 4 27.174 32.537 8.736 1.00 0.00 C ATOM 58 C PHE A 4 27.452 32.446 10.230 1.00 0.00 C ATOM 59 O PHE A 4 26.862 31.613 10.918 1.00 0.00 O ATOM 60 CB PHE A 4 25.745 33.042 8.518 1.00 0.00 C ATOM 61 CG PHE A 4 25.553 33.431 7.071 1.00 0.00 C ATOM 62 CD1 PHE A 4 25.123 32.475 6.142 1.00 0.00 C ATOM 63 CD2 PHE A 4 25.796 34.747 6.659 1.00 0.00 C ATOM 64 CE1 PHE A 4 24.936 32.836 4.802 1.00 0.00 C ATOM 65 CE2 PHE A 4 25.609 35.108 5.319 1.00 0.00 C ATOM 66 CZ PHE A 4 25.179 34.151 4.390 1.00 0.00 C ATOM 0 H PHE A 4 26.507 30.628 8.159 1.00 0.00 H new ATOM 0 HA PHE A 4 27.887 33.229 8.287 1.00 0.00 H new ATOM 0 HB2 PHE A 4 25.030 32.267 8.793 1.00 0.00 H new ATOM 0 HB3 PHE A 4 25.550 33.899 9.163 1.00 0.00 H new ATOM 0 HD1 PHE A 4 24.936 31.460 6.459 1.00 0.00 H new ATOM 0 HD2 PHE A 4 26.128 35.484 7.375 1.00 0.00 H new ATOM 0 HE1 PHE A 4 24.604 32.099 4.086 1.00 0.00 H new ATOM 0 HE2 PHE A 4 25.796 36.123 5.002 1.00 0.00 H new ATOM 0 HZ PHE A 4 25.035 34.428 3.356 1.00 0.00 H new ATOM 76 N VAL A 5 28.336 33.314 10.744 1.00 0.00 N ATOM 77 CA VAL A 5 28.660 33.321 12.170 1.00 0.00 C ATOM 78 C VAL A 5 28.103 34.572 12.827 1.00 0.00 C ATOM 79 O VAL A 5 28.516 35.693 12.527 1.00 0.00 O ATOM 80 CB VAL A 5 30.176 33.251 12.367 1.00 0.00 C ATOM 81 CG1 VAL A 5 30.522 33.511 13.840 1.00 0.00 C ATOM 82 CG2 VAL A 5 30.646 31.850 11.991 1.00 0.00 C ATOM 0 H VAL A 5 28.834 34.014 10.194 1.00 0.00 H new ATOM 0 HA VAL A 5 28.205 32.448 12.638 1.00 0.00 H new ATOM 0 HB VAL A 5 30.663 34.001 11.744 1.00 0.00 H new ATOM 0 HG11 VAL A 5 31.602 33.460 13.974 1.00 0.00 H new ATOM 0 HG12 VAL A 5 30.167 34.500 14.128 1.00 0.00 H new ATOM 0 HG13 VAL A 5 30.043 32.757 14.465 1.00 0.00 H new ATOM 0 HG21 VAL A 5 31.725 31.780 12.125 1.00 0.00 H new ATOM 0 HG22 VAL A 5 30.153 31.117 12.630 1.00 0.00 H new ATOM 0 HG23 VAL A 5 30.396 31.650 10.949 1.00 0.00 H new ATOM 92 N LYS A 6 27.153 34.360 13.712 1.00 0.00 N ATOM 93 CA LYS A 6 26.503 35.455 14.422 1.00 0.00 C ATOM 94 C LYS A 6 27.196 35.723 15.760 1.00 0.00 C ATOM 95 O LYS A 6 27.055 34.950 16.709 1.00 0.00 O ATOM 96 CB LYS A 6 25.043 35.069 14.650 1.00 0.00 C ATOM 97 CG LYS A 6 24.222 36.291 15.041 1.00 0.00 C ATOM 98 CD LYS A 6 22.742 35.894 15.054 1.00 0.00 C ATOM 99 CE LYS A 6 21.883 37.074 15.505 1.00 0.00 C ATOM 100 NZ LYS A 6 22.141 37.354 16.945 1.00 0.00 N ATOM 0 H LYS A 6 26.807 33.434 13.963 1.00 0.00 H new ATOM 0 HA LYS A 6 26.566 36.368 13.831 1.00 0.00 H new ATOM 0 HB2 LYS A 6 24.633 34.623 13.744 1.00 0.00 H new ATOM 0 HB3 LYS A 6 24.979 34.314 15.434 1.00 0.00 H new ATOM 0 HG2 LYS A 6 24.526 36.654 16.023 1.00 0.00 H new ATOM 0 HG3 LYS A 6 24.391 37.103 14.334 1.00 0.00 H new ATOM 0 HD2 LYS A 6 22.436 35.571 14.059 1.00 0.00 H new ATOM 0 HD3 LYS A 6 22.591 35.048 15.724 1.00 0.00 H new ATOM 0 HE2 LYS A 6 22.113 37.955 14.905 1.00 0.00 H new ATOM 0 HE3 LYS A 6 20.828 36.849 15.351 1.00 0.00 H new ATOM 0 HZ1 LYS A 6 21.374 37.944 17.327 1.00 0.00 H new ATOM 0 HZ2 LYS A 6 22.183 36.458 17.471 1.00 0.00 H new ATOM 0 HZ3 LYS A 6 23.046 37.856 17.044 1.00 0.00 H new ATOM 114 N THR A 7 27.952 36.816 15.823 1.00 0.00 N ATOM 115 CA THR A 7 28.668 37.171 17.049 1.00 0.00 C ATOM 116 C THR A 7 27.686 37.651 18.109 1.00 0.00 C ATOM 117 O THR A 7 26.516 37.887 17.811 1.00 0.00 O ATOM 118 CB THR A 7 29.701 38.265 16.765 1.00 0.00 C ATOM 119 OG1 THR A 7 29.030 39.473 16.436 1.00 0.00 O ATOM 120 CG2 THR A 7 30.604 37.841 15.599 1.00 0.00 C ATOM 0 H THR A 7 28.085 37.467 15.049 1.00 0.00 H new ATOM 0 HA THR A 7 29.185 36.285 17.417 1.00 0.00 H new ATOM 0 HB THR A 7 30.316 38.419 17.652 1.00 0.00 H new ATOM 0 HG1 THR A 7 28.280 39.278 15.837 1.00 0.00 H new ATOM 0 HG21 THR A 7 31.336 38.624 15.403 1.00 0.00 H new ATOM 0 HG22 THR A 7 31.121 36.917 15.857 1.00 0.00 H new ATOM 0 HG23 THR A 7 29.997 37.681 14.708 1.00 0.00 H new ATOM 128 N LEU A 8 28.153 37.797 19.349 1.00 0.00 N ATOM 129 CA LEU A 8 27.280 38.247 20.425 1.00 0.00 C ATOM 130 C LEU A 8 27.088 39.759 20.387 1.00 0.00 C ATOM 131 O LEU A 8 26.073 40.274 20.856 1.00 0.00 O ATOM 132 CB LEU A 8 27.871 37.841 21.782 1.00 0.00 C ATOM 133 CG LEU A 8 26.896 38.233 22.932 1.00 0.00 C ATOM 134 CD1 LEU A 8 26.827 37.111 23.974 1.00 0.00 C ATOM 135 CD2 LEU A 8 27.377 39.524 23.615 1.00 0.00 C ATOM 0 H LEU A 8 29.117 37.613 19.628 1.00 0.00 H new ATOM 0 HA LEU A 8 26.308 37.773 20.288 1.00 0.00 H new ATOM 0 HB2 LEU A 8 28.054 36.767 21.801 1.00 0.00 H new ATOM 0 HB3 LEU A 8 28.834 38.331 21.929 1.00 0.00 H new ATOM 0 HG LEU A 8 25.906 38.393 22.505 1.00 0.00 H new ATOM 0 HD11 LEU A 8 26.142 37.397 24.772 1.00 0.00 H new ATOM 0 HD12 LEU A 8 26.470 36.196 23.501 1.00 0.00 H new ATOM 0 HD13 LEU A 8 27.819 36.940 24.391 1.00 0.00 H new ATOM 0 HD21 LEU A 8 26.689 39.789 24.417 1.00 0.00 H new ATOM 0 HD22 LEU A 8 28.373 39.367 24.029 1.00 0.00 H new ATOM 0 HD23 LEU A 8 27.411 40.332 22.884 1.00 0.00 H new ATOM 147 N THR A 9 28.067 40.468 19.838 1.00 0.00 N ATOM 148 CA THR A 9 27.981 41.921 19.763 1.00 0.00 C ATOM 149 C THR A 9 26.911 42.343 18.763 1.00 0.00 C ATOM 150 O THR A 9 26.570 43.521 18.665 1.00 0.00 O ATOM 151 CB THR A 9 29.331 42.514 19.348 1.00 0.00 C ATOM 152 OG1 THR A 9 30.308 42.192 20.327 1.00 0.00 O ATOM 153 CG2 THR A 9 29.210 44.037 19.226 1.00 0.00 C ATOM 0 H THR A 9 28.918 40.068 19.443 1.00 0.00 H new ATOM 0 HA THR A 9 27.712 42.296 20.750 1.00 0.00 H new ATOM 0 HB THR A 9 29.629 42.099 18.385 1.00 0.00 H new ATOM 0 HG1 THR A 9 31.173 42.569 20.062 1.00 0.00 H new ATOM 0 HG21 THR A 9 30.172 44.456 18.931 1.00 0.00 H new ATOM 0 HG22 THR A 9 28.461 44.283 18.474 1.00 0.00 H new ATOM 0 HG23 THR A 9 28.911 44.456 20.187 1.00 0.00 H new ATOM 161 N GLY A 10 26.382 41.372 18.022 1.00 0.00 N ATOM 162 CA GLY A 10 25.345 41.652 17.029 1.00 0.00 C ATOM 163 C GLY A 10 25.949 41.800 15.639 1.00 0.00 C ATOM 164 O GLY A 10 25.260 42.172 14.691 1.00 0.00 O ATOM 0 H GLY A 10 26.651 40.390 18.089 1.00 0.00 H new ATOM 0 HA2 GLY A 10 24.611 40.846 17.027 1.00 0.00 H new ATOM 0 HA3 GLY A 10 24.815 42.565 17.299 1.00 0.00 H new ATOM 168 N LYS A 11 27.235 41.473 15.515 1.00 0.00 N ATOM 169 CA LYS A 11 27.910 41.540 14.222 1.00 0.00 C ATOM 170 C LYS A 11 27.781 40.198 13.513 1.00 0.00 C ATOM 171 O LYS A 11 27.770 39.149 14.156 1.00 0.00 O ATOM 172 CB LYS A 11 29.390 41.888 14.407 1.00 0.00 C ATOM 173 CG LYS A 11 29.514 43.291 15.006 1.00 0.00 C ATOM 174 CD LYS A 11 30.993 43.655 15.158 1.00 0.00 C ATOM 175 CE LYS A 11 31.116 45.048 15.780 1.00 0.00 C ATOM 176 NZ LYS A 11 32.556 45.389 15.956 1.00 0.00 N ATOM 0 H LYS A 11 27.825 41.162 16.287 1.00 0.00 H new ATOM 0 HA LYS A 11 27.443 42.319 13.620 1.00 0.00 H new ATOM 0 HB2 LYS A 11 29.867 41.158 15.061 1.00 0.00 H new ATOM 0 HB3 LYS A 11 29.908 41.843 13.449 1.00 0.00 H new ATOM 0 HG2 LYS A 11 29.014 44.017 14.364 1.00 0.00 H new ATOM 0 HG3 LYS A 11 29.018 43.328 15.976 1.00 0.00 H new ATOM 0 HD2 LYS A 11 31.497 42.920 15.785 1.00 0.00 H new ATOM 0 HD3 LYS A 11 31.485 43.635 14.186 1.00 0.00 H new ATOM 0 HE2 LYS A 11 30.632 45.787 15.141 1.00 0.00 H new ATOM 0 HE3 LYS A 11 30.605 45.075 16.742 1.00 0.00 H new ATOM 0 HZ1 LYS A 11 32.639 46.336 16.379 1.00 0.00 H new ATOM 0 HZ2 LYS A 11 33.004 44.690 16.582 1.00 0.00 H new ATOM 0 HZ3 LYS A 11 33.030 45.380 15.031 1.00 0.00 H new ATOM 190 N THR A 12 27.688 40.232 12.188 1.00 0.00 N ATOM 191 CA THR A 12 27.562 39.007 11.396 1.00 0.00 C ATOM 192 C THR A 12 28.705 38.908 10.393 1.00 0.00 C ATOM 193 O THR A 12 28.905 39.811 9.580 1.00 0.00 O ATOM 194 CB THR A 12 26.228 39.014 10.646 1.00 0.00 C ATOM 195 OG1 THR A 12 25.163 38.953 11.585 1.00 0.00 O ATOM 196 CG2 THR A 12 26.159 37.804 9.707 1.00 0.00 C ATOM 0 H THR A 12 27.697 41.091 11.638 1.00 0.00 H new ATOM 0 HA THR A 12 27.601 38.149 12.067 1.00 0.00 H new ATOM 0 HB THR A 12 26.144 39.928 10.058 1.00 0.00 H new ATOM 0 HG1 THR A 12 24.306 38.959 11.109 1.00 0.00 H new ATOM 0 HG21 THR A 12 25.208 37.811 9.174 1.00 0.00 H new ATOM 0 HG22 THR A 12 26.978 37.853 8.989 1.00 0.00 H new ATOM 0 HG23 THR A 12 26.242 36.886 10.289 1.00 0.00 H new ATOM 204 N ILE A 13 29.443 37.800 10.440 1.00 0.00 N ATOM 205 CA ILE A 13 30.559 37.585 9.515 1.00 0.00 C ATOM 206 C ILE A 13 30.479 36.185 8.920 1.00 0.00 C ATOM 207 O ILE A 13 30.277 35.202 9.633 1.00 0.00 O ATOM 208 CB ILE A 13 31.891 37.753 10.247 1.00 0.00 C ATOM 209 CG1 ILE A 13 33.041 37.740 9.233 1.00 0.00 C ATOM 210 CG2 ILE A 13 32.070 36.604 11.241 1.00 0.00 C ATOM 211 CD1 ILE A 13 34.383 37.736 9.975 1.00 0.00 C ATOM 0 H ILE A 13 29.291 37.040 11.104 1.00 0.00 H new ATOM 0 HA ILE A 13 30.496 38.322 8.715 1.00 0.00 H new ATOM 0 HB ILE A 13 31.895 38.702 10.782 1.00 0.00 H new ATOM 0 HG12 ILE A 13 32.965 36.860 8.594 1.00 0.00 H new ATOM 0 HG13 ILE A 13 32.976 38.613 8.583 1.00 0.00 H new ATOM 0 HG21 ILE A 13 33.019 36.721 11.765 1.00 0.00 H new ATOM 0 HG22 ILE A 13 31.253 36.617 11.963 1.00 0.00 H new ATOM 0 HG23 ILE A 13 32.066 35.655 10.705 1.00 0.00 H new ATOM 0 HD11 ILE A 13 35.199 37.727 9.252 1.00 0.00 H new ATOM 0 HD12 ILE A 13 34.458 38.629 10.596 1.00 0.00 H new ATOM 0 HD13 ILE A 13 34.447 36.849 10.606 1.00 0.00 H new ATOM 223 N THR A 14 30.611 36.107 7.604 1.00 0.00 N ATOM 224 CA THR A 14 30.529 34.828 6.906 1.00 0.00 C ATOM 225 C THR A 14 31.877 34.113 6.896 1.00 0.00 C ATOM 226 O THR A 14 32.935 34.743 6.893 1.00 0.00 O ATOM 227 CB THR A 14 30.041 35.052 5.472 1.00 0.00 C ATOM 228 OG1 THR A 14 28.813 35.765 5.505 1.00 0.00 O ATOM 229 CG2 THR A 14 29.824 33.699 4.780 1.00 0.00 C ATOM 0 H THR A 14 30.775 36.911 6.998 1.00 0.00 H new ATOM 0 HA THR A 14 29.819 34.194 7.437 1.00 0.00 H new ATOM 0 HB THR A 14 30.787 35.623 4.919 1.00 0.00 H new ATOM 0 HG1 THR A 14 28.068 35.131 5.570 1.00 0.00 H new ATOM 0 HG21 THR A 14 29.477 33.864 3.760 1.00 0.00 H new ATOM 0 HG22 THR A 14 30.763 33.146 4.759 1.00 0.00 H new ATOM 0 HG23 THR A 14 29.078 33.125 5.329 1.00 0.00 H new ATOM 237 N LEU A 15 31.810 32.785 6.911 1.00 0.00 N ATOM 238 CA LEU A 15 32.997 31.933 6.924 1.00 0.00 C ATOM 239 C LEU A 15 32.961 30.938 5.757 1.00 0.00 C ATOM 240 O LEU A 15 31.941 30.298 5.506 1.00 0.00 O ATOM 241 CB LEU A 15 33.029 31.160 8.271 1.00 0.00 C ATOM 242 CG LEU A 15 34.418 31.225 8.922 1.00 0.00 C ATOM 243 CD1 LEU A 15 34.604 32.586 9.599 1.00 0.00 C ATOM 244 CD2 LEU A 15 34.534 30.116 9.975 1.00 0.00 C ATOM 0 H LEU A 15 30.931 32.268 6.914 1.00 0.00 H new ATOM 0 HA LEU A 15 33.890 32.550 6.817 1.00 0.00 H new ATOM 0 HB2 LEU A 15 32.287 31.580 8.951 1.00 0.00 H new ATOM 0 HB3 LEU A 15 32.753 30.119 8.101 1.00 0.00 H new ATOM 0 HG LEU A 15 35.185 31.091 8.159 1.00 0.00 H new ATOM 0 HD11 LEU A 15 35.590 32.631 10.061 1.00 0.00 H new ATOM 0 HD12 LEU A 15 34.515 33.378 8.855 1.00 0.00 H new ATOM 0 HD13 LEU A 15 33.839 32.720 10.364 1.00 0.00 H new ATOM 0 HD21 LEU A 15 35.519 30.158 10.440 1.00 0.00 H new ATOM 0 HD22 LEU A 15 33.767 30.256 10.736 1.00 0.00 H new ATOM 0 HD23 LEU A 15 34.399 29.145 9.498 1.00 0.00 H new ATOM 256 N GLU A 16 34.091 30.794 5.080 1.00 0.00 N ATOM 257 CA GLU A 16 34.195 29.842 3.973 1.00 0.00 C ATOM 258 C GLU A 16 34.845 28.562 4.487 1.00 0.00 C ATOM 259 O GLU A 16 35.928 28.605 5.067 1.00 0.00 O ATOM 260 CB GLU A 16 35.035 30.431 2.833 1.00 0.00 C ATOM 261 CG GLU A 16 34.247 31.542 2.137 1.00 0.00 C ATOM 262 CD GLU A 16 35.149 32.279 1.153 1.00 0.00 C ATOM 263 OE1 GLU A 16 36.323 31.950 1.096 1.00 0.00 O ATOM 264 OE2 GLU A 16 34.654 33.160 0.469 1.00 0.00 O ATOM 0 H GLU A 16 34.945 31.318 5.272 1.00 0.00 H new ATOM 0 HA GLU A 16 33.199 29.627 3.587 1.00 0.00 H new ATOM 0 HB2 GLU A 16 35.972 30.826 3.225 1.00 0.00 H new ATOM 0 HB3 GLU A 16 35.293 29.651 2.117 1.00 0.00 H new ATOM 0 HG2 GLU A 16 33.391 31.119 1.612 1.00 0.00 H new ATOM 0 HG3 GLU A 16 33.854 32.240 2.877 1.00 0.00 H new ATOM 271 N VAL A 17 34.188 27.423 4.271 1.00 0.00 N ATOM 272 CA VAL A 17 34.729 26.142 4.726 1.00 0.00 C ATOM 273 C VAL A 17 34.231 25.002 3.851 1.00 0.00 C ATOM 274 O VAL A 17 33.384 25.178 2.976 1.00 0.00 O ATOM 275 CB VAL A 17 34.343 25.901 6.195 1.00 0.00 C ATOM 276 CG1 VAL A 17 32.816 25.861 6.355 1.00 0.00 C ATOM 277 CG2 VAL A 17 34.935 24.582 6.723 1.00 0.00 C ATOM 0 H VAL A 17 33.291 27.360 3.790 1.00 0.00 H new ATOM 0 HA VAL A 17 35.816 26.177 4.647 1.00 0.00 H new ATOM 0 HB VAL A 17 34.752 26.729 6.774 1.00 0.00 H new ATOM 0 HG11 VAL A 17 32.564 25.689 7.402 1.00 0.00 H new ATOM 0 HG12 VAL A 17 32.391 26.811 6.031 1.00 0.00 H new ATOM 0 HG13 VAL A 17 32.407 25.054 5.747 1.00 0.00 H new ATOM 0 HG21 VAL A 17 34.643 24.443 7.764 1.00 0.00 H new ATOM 0 HG22 VAL A 17 34.560 23.750 6.127 1.00 0.00 H new ATOM 0 HG23 VAL A 17 36.022 24.617 6.653 1.00 0.00 H new ATOM 287 N GLU A 18 34.767 23.836 4.124 1.00 0.00 N ATOM 288 CA GLU A 18 34.400 22.607 3.404 1.00 0.00 C ATOM 289 C GLU A 18 33.498 21.735 4.289 1.00 0.00 C ATOM 290 O GLU A 18 33.635 21.744 5.509 1.00 0.00 O ATOM 291 CB GLU A 18 35.659 21.823 3.021 1.00 0.00 C ATOM 292 CG GLU A 18 36.468 22.624 1.996 1.00 0.00 C ATOM 293 CD GLU A 18 37.732 21.859 1.616 1.00 0.00 C ATOM 294 OE1 GLU A 18 37.646 21.009 0.744 1.00 0.00 O ATOM 295 OE2 GLU A 18 38.766 22.133 2.202 1.00 0.00 O ATOM 0 H GLU A 18 35.471 23.697 4.849 1.00 0.00 H new ATOM 0 HA GLU A 18 33.862 22.879 2.496 1.00 0.00 H new ATOM 0 HB2 GLU A 18 36.264 21.630 3.907 1.00 0.00 H new ATOM 0 HB3 GLU A 18 35.384 20.853 2.606 1.00 0.00 H new ATOM 0 HG2 GLU A 18 35.864 22.809 1.108 1.00 0.00 H new ATOM 0 HG3 GLU A 18 36.732 23.597 2.410 1.00 0.00 H new ATOM 302 N PRO A 19 32.587 20.979 3.729 1.00 0.00 N ATOM 303 CA PRO A 19 31.685 20.111 4.548 1.00 0.00 C ATOM 304 C PRO A 19 32.462 19.032 5.304 1.00 0.00 C ATOM 305 O PRO A 19 32.014 18.543 6.341 1.00 0.00 O ATOM 306 CB PRO A 19 30.721 19.500 3.512 1.00 0.00 C ATOM 307 CG PRO A 19 31.455 19.580 2.211 1.00 0.00 C ATOM 308 CD PRO A 19 32.305 20.850 2.287 1.00 0.00 C ATOM 0 HA PRO A 19 31.164 20.670 5.326 1.00 0.00 H new ATOM 0 HB2 PRO A 19 30.473 18.469 3.763 1.00 0.00 H new ATOM 0 HB3 PRO A 19 29.783 20.053 3.471 1.00 0.00 H new ATOM 0 HG2 PRO A 19 32.080 18.700 2.060 1.00 0.00 H new ATOM 0 HG3 PRO A 19 30.760 19.625 1.372 1.00 0.00 H new ATOM 0 HD2 PRO A 19 33.221 20.757 1.704 1.00 0.00 H new ATOM 0 HD3 PRO A 19 31.769 21.717 1.902 1.00 0.00 H new ATOM 316 N SER A 20 33.630 18.666 4.780 1.00 0.00 N ATOM 317 CA SER A 20 34.460 17.644 5.415 1.00 0.00 C ATOM 318 C SER A 20 35.407 18.280 6.429 1.00 0.00 C ATOM 319 O SER A 20 36.235 17.598 7.034 1.00 0.00 O ATOM 320 CB SER A 20 35.276 16.907 4.352 1.00 0.00 C ATOM 321 OG SER A 20 36.199 17.811 3.758 1.00 0.00 O ATOM 0 H SER A 20 34.021 19.058 3.924 1.00 0.00 H new ATOM 0 HA SER A 20 33.809 16.939 5.932 1.00 0.00 H new ATOM 0 HB2 SER A 20 35.808 16.069 4.802 1.00 0.00 H new ATOM 0 HB3 SER A 20 34.614 16.493 3.591 1.00 0.00 H new ATOM 0 HG SER A 20 36.725 17.341 3.077 1.00 0.00 H new ATOM 327 N ASP A 21 35.253 19.583 6.632 1.00 0.00 N ATOM 328 CA ASP A 21 36.075 20.299 7.597 1.00 0.00 C ATOM 329 C ASP A 21 35.660 19.932 9.016 1.00 0.00 C ATOM 330 O ASP A 21 34.490 19.654 9.272 1.00 0.00 O ATOM 331 CB ASP A 21 35.941 21.809 7.389 1.00 0.00 C ATOM 332 CG ASP A 21 37.178 22.539 7.905 1.00 0.00 C ATOM 333 OD1 ASP A 21 38.268 22.020 7.733 1.00 0.00 O ATOM 334 OD2 ASP A 21 37.013 23.614 8.458 1.00 0.00 O ATOM 0 H ASP A 21 34.570 20.162 6.144 1.00 0.00 H new ATOM 0 HA ASP A 21 37.116 20.013 7.448 1.00 0.00 H new ATOM 0 HB2 ASP A 21 35.802 22.024 6.329 1.00 0.00 H new ATOM 0 HB3 ASP A 21 35.055 22.175 7.907 1.00 0.00 H new ATOM 339 N THR A 22 36.609 19.964 9.936 1.00 0.00 N ATOM 340 CA THR A 22 36.322 19.662 11.336 1.00 0.00 C ATOM 341 C THR A 22 35.894 20.922 12.082 1.00 0.00 C ATOM 342 O THR A 22 36.025 22.039 11.574 1.00 0.00 O ATOM 343 CB THR A 22 37.557 19.059 12.008 1.00 0.00 C ATOM 344 OG1 THR A 22 38.622 19.996 11.966 1.00 0.00 O ATOM 345 CG2 THR A 22 37.964 17.782 11.272 1.00 0.00 C ATOM 0 H THR A 22 37.584 20.195 9.744 1.00 0.00 H new ATOM 0 HA THR A 22 35.505 18.941 11.370 1.00 0.00 H new ATOM 0 HB THR A 22 37.328 18.819 13.046 1.00 0.00 H new ATOM 0 HG1 THR A 22 39.449 19.564 12.265 1.00 0.00 H new ATOM 0 HG21 THR A 22 38.844 17.351 11.750 1.00 0.00 H new ATOM 0 HG22 THR A 22 37.144 17.065 11.307 1.00 0.00 H new ATOM 0 HG23 THR A 22 38.194 18.018 10.233 1.00 0.00 H new ATOM 353 N ILE A 23 35.413 20.744 13.303 1.00 0.00 N ATOM 354 CA ILE A 23 35.007 21.890 14.108 1.00 0.00 C ATOM 355 C ILE A 23 36.244 22.652 14.567 1.00 0.00 C ATOM 356 O ILE A 23 36.346 23.859 14.362 1.00 0.00 O ATOM 357 CB ILE A 23 34.184 21.431 15.315 1.00 0.00 C ATOM 358 CG1 ILE A 23 33.110 20.435 14.861 1.00 0.00 C ATOM 359 CG2 ILE A 23 33.506 22.635 15.969 1.00 0.00 C ATOM 360 CD1 ILE A 23 32.349 20.993 13.650 1.00 0.00 C ATOM 0 H ILE A 23 35.295 19.836 13.753 1.00 0.00 H new ATOM 0 HA ILE A 23 34.385 22.549 13.503 1.00 0.00 H new ATOM 0 HB ILE A 23 34.848 20.951 16.034 1.00 0.00 H new ATOM 0 HG12 ILE A 23 33.573 19.483 14.602 1.00 0.00 H new ATOM 0 HG13 ILE A 23 32.415 20.240 15.678 1.00 0.00 H new ATOM 0 HG21 ILE A 23 32.922 22.302 16.827 1.00 0.00 H new ATOM 0 HG22 ILE A 23 34.265 23.345 16.300 1.00 0.00 H new ATOM 0 HG23 ILE A 23 32.847 23.118 15.247 1.00 0.00 H new ATOM 0 HD11 ILE A 23 31.589 20.277 13.336 1.00 0.00 H new ATOM 0 HD12 ILE A 23 31.871 21.934 13.923 1.00 0.00 H new ATOM 0 HD13 ILE A 23 33.046 21.165 12.830 1.00 0.00 H new ATOM 372 N GLU A 24 37.198 21.939 15.166 1.00 0.00 N ATOM 373 CA GLU A 24 38.434 22.572 15.622 1.00 0.00 C ATOM 374 C GLU A 24 38.960 23.516 14.544 1.00 0.00 C ATOM 375 O GLU A 24 39.608 24.520 14.837 1.00 0.00 O ATOM 376 CB GLU A 24 39.488 21.508 15.928 1.00 0.00 C ATOM 377 CG GLU A 24 39.518 20.477 14.799 1.00 0.00 C ATOM 378 CD GLU A 24 40.701 19.533 14.987 1.00 0.00 C ATOM 379 OE1 GLU A 24 40.527 18.522 15.646 1.00 0.00 O ATOM 380 OE2 GLU A 24 41.763 19.835 14.468 1.00 0.00 O ATOM 0 H GLU A 24 37.140 20.936 15.345 1.00 0.00 H new ATOM 0 HA GLU A 24 38.225 23.139 16.529 1.00 0.00 H new ATOM 0 HB2 GLU A 24 40.468 21.973 16.036 1.00 0.00 H new ATOM 0 HB3 GLU A 24 39.261 21.019 16.875 1.00 0.00 H new ATOM 0 HG2 GLU A 24 38.587 19.910 14.789 1.00 0.00 H new ATOM 0 HG3 GLU A 24 39.594 20.982 13.836 1.00 0.00 H new ATOM 387 N ASN A 25 38.640 23.194 13.296 1.00 0.00 N ATOM 388 CA ASN A 25 39.054 24.029 12.177 1.00 0.00 C ATOM 389 C ASN A 25 38.230 25.309 12.177 1.00 0.00 C ATOM 390 O ASN A 25 38.767 26.405 12.340 1.00 0.00 O ATOM 391 CB ASN A 25 38.866 23.292 10.850 1.00 0.00 C ATOM 392 CG ASN A 25 39.558 24.061 9.728 1.00 0.00 C ATOM 393 OD1 ASN A 25 38.980 24.989 9.161 1.00 0.00 O ATOM 394 ND2 ASN A 25 40.771 23.731 9.374 1.00 0.00 N ATOM 0 H ASN A 25 38.100 22.369 13.036 1.00 0.00 H new ATOM 0 HA ASN A 25 40.112 24.268 12.288 1.00 0.00 H new ATOM 0 HB2 ASN A 25 39.278 22.285 10.921 1.00 0.00 H new ATOM 0 HB3 ASN A 25 37.804 23.187 10.629 1.00 0.00 H new ATOM 0 HD21 ASN A 25 41.241 24.242 8.627 1.00 0.00 H new ATOM 0 HD22 ASN A 25 41.248 22.962 9.845 1.00 0.00 H new ATOM 401 N VAL A 26 36.918 25.165 11.996 1.00 0.00 N ATOM 402 CA VAL A 26 36.029 26.322 11.985 1.00 0.00 C ATOM 403 C VAL A 26 36.309 27.209 13.186 1.00 0.00 C ATOM 404 O VAL A 26 36.066 28.419 13.161 1.00 0.00 O ATOM 405 CB VAL A 26 34.576 25.855 12.016 1.00 0.00 C ATOM 406 CG1 VAL A 26 33.645 27.065 12.026 1.00 0.00 C ATOM 407 CG2 VAL A 26 34.311 25.018 10.778 1.00 0.00 C ATOM 0 H VAL A 26 36.452 24.268 11.857 1.00 0.00 H new ATOM 0 HA VAL A 26 36.205 26.895 11.075 1.00 0.00 H new ATOM 0 HB VAL A 26 34.395 25.263 12.913 1.00 0.00 H new ATOM 0 HG11 VAL A 26 32.609 26.727 12.048 1.00 0.00 H new ATOM 0 HG12 VAL A 26 33.847 27.672 12.908 1.00 0.00 H new ATOM 0 HG13 VAL A 26 33.813 27.661 11.129 1.00 0.00 H new ATOM 0 HG21 VAL A 26 33.276 24.676 10.785 1.00 0.00 H new ATOM 0 HG22 VAL A 26 34.488 25.620 9.887 1.00 0.00 H new ATOM 0 HG23 VAL A 26 34.978 24.156 10.772 1.00 0.00 H new ATOM 417 N LYS A 27 36.842 26.597 14.224 1.00 0.00 N ATOM 418 CA LYS A 27 37.176 27.328 15.437 1.00 0.00 C ATOM 419 C LYS A 27 38.436 28.133 15.212 1.00 0.00 C ATOM 420 O LYS A 27 38.487 29.331 15.491 1.00 0.00 O ATOM 421 CB LYS A 27 37.392 26.351 16.594 1.00 0.00 C ATOM 422 CG LYS A 27 36.104 25.505 16.831 1.00 0.00 C ATOM 423 CD LYS A 27 35.647 25.609 18.292 1.00 0.00 C ATOM 424 CE LYS A 27 36.605 24.818 19.173 1.00 0.00 C ATOM 425 NZ LYS A 27 36.106 24.827 20.574 1.00 0.00 N ATOM 0 H LYS A 27 37.054 25.600 14.256 1.00 0.00 H new ATOM 0 HA LYS A 27 36.354 27.999 15.686 1.00 0.00 H new ATOM 0 HB2 LYS A 27 38.232 25.693 16.372 1.00 0.00 H new ATOM 0 HB3 LYS A 27 37.647 26.900 17.500 1.00 0.00 H new ATOM 0 HG2 LYS A 27 35.309 25.851 16.171 1.00 0.00 H new ATOM 0 HG3 LYS A 27 36.296 24.462 16.578 1.00 0.00 H new ATOM 0 HD2 LYS A 27 35.624 26.653 18.605 1.00 0.00 H new ATOM 0 HD3 LYS A 27 34.633 25.222 18.397 1.00 0.00 H new ATOM 0 HE2 LYS A 27 36.688 23.793 18.811 1.00 0.00 H new ATOM 0 HE3 LYS A 27 37.603 25.254 19.128 1.00 0.00 H new ATOM 0 HZ1 LYS A 27 36.897 24.650 21.225 1.00 0.00 H new ATOM 0 HZ2 LYS A 27 35.684 25.753 20.786 1.00 0.00 H new ATOM 0 HZ3 LYS A 27 35.388 24.084 20.692 1.00 0.00 H new ATOM 439 N ALA A 28 39.453 27.458 14.702 1.00 0.00 N ATOM 440 CA ALA A 28 40.725 28.098 14.431 1.00 0.00 C ATOM 441 C ALA A 28 40.526 29.325 13.542 1.00 0.00 C ATOM 442 O ALA A 28 41.253 30.310 13.660 1.00 0.00 O ATOM 443 CB ALA A 28 41.647 27.094 13.742 1.00 0.00 C ATOM 0 H ALA A 28 39.420 26.466 14.468 1.00 0.00 H new ATOM 0 HA ALA A 28 41.173 28.426 15.369 1.00 0.00 H new ATOM 0 HB1 ALA A 28 42.607 27.566 13.533 1.00 0.00 H new ATOM 0 HB2 ALA A 28 41.799 26.233 14.393 1.00 0.00 H new ATOM 0 HB3 ALA A 28 41.193 26.766 12.807 1.00 0.00 H new ATOM 449 N LYS A 29 39.521 29.262 12.673 1.00 0.00 N ATOM 450 CA LYS A 29 39.225 30.388 11.796 1.00 0.00 C ATOM 451 C LYS A 29 38.682 31.558 12.619 1.00 0.00 C ATOM 452 O LYS A 29 39.282 32.632 12.662 1.00 0.00 O ATOM 453 CB LYS A 29 38.217 29.976 10.718 1.00 0.00 C ATOM 454 CG LYS A 29 38.963 29.300 9.556 1.00 0.00 C ATOM 455 CD LYS A 29 37.988 28.465 8.736 1.00 0.00 C ATOM 456 CE LYS A 29 38.756 27.675 7.674 1.00 0.00 C ATOM 457 NZ LYS A 29 39.323 28.615 6.667 1.00 0.00 N ATOM 0 H LYS A 29 38.907 28.456 12.558 1.00 0.00 H new ATOM 0 HA LYS A 29 40.144 30.702 11.301 1.00 0.00 H new ATOM 0 HB2 LYS A 29 37.478 29.293 11.137 1.00 0.00 H new ATOM 0 HB3 LYS A 29 37.675 30.850 10.358 1.00 0.00 H new ATOM 0 HG2 LYS A 29 39.431 30.055 8.924 1.00 0.00 H new ATOM 0 HG3 LYS A 29 39.762 28.668 9.943 1.00 0.00 H new ATOM 0 HD2 LYS A 29 37.441 27.783 9.387 1.00 0.00 H new ATOM 0 HD3 LYS A 29 37.250 29.111 8.260 1.00 0.00 H new ATOM 0 HE2 LYS A 29 39.556 27.100 8.141 1.00 0.00 H new ATOM 0 HE3 LYS A 29 38.093 26.960 7.187 1.00 0.00 H new ATOM 0 HZ1 LYS A 29 39.651 28.079 5.838 1.00 0.00 H new ATOM 0 HZ2 LYS A 29 38.591 29.293 6.374 1.00 0.00 H new ATOM 0 HZ3 LYS A 29 40.124 29.130 7.085 1.00 0.00 H new ATOM 471 N ILE A 30 37.532 31.345 13.254 1.00 0.00 N ATOM 472 CA ILE A 30 36.903 32.377 14.058 1.00 0.00 C ATOM 473 C ILE A 30 37.883 32.944 15.089 1.00 0.00 C ATOM 474 O ILE A 30 37.865 34.140 15.376 1.00 0.00 O ATOM 475 CB ILE A 30 35.678 31.774 14.753 1.00 0.00 C ATOM 476 CG1 ILE A 30 34.570 31.529 13.721 1.00 0.00 C ATOM 477 CG2 ILE A 30 35.158 32.732 15.824 1.00 0.00 C ATOM 478 CD1 ILE A 30 33.506 30.605 14.319 1.00 0.00 C ATOM 0 H ILE A 30 37.020 30.463 13.224 1.00 0.00 H new ATOM 0 HA ILE A 30 36.596 33.201 13.415 1.00 0.00 H new ATOM 0 HB ILE A 30 35.966 30.832 15.219 1.00 0.00 H new ATOM 0 HG12 ILE A 30 34.119 32.476 13.425 1.00 0.00 H new ATOM 0 HG13 ILE A 30 34.990 31.081 12.821 1.00 0.00 H new ATOM 0 HG21 ILE A 30 34.287 32.294 16.312 1.00 0.00 H new ATOM 0 HG22 ILE A 30 35.938 32.908 16.564 1.00 0.00 H new ATOM 0 HG23 ILE A 30 34.877 33.678 15.361 1.00 0.00 H new ATOM 0 HD11 ILE A 30 32.720 30.432 13.584 1.00 0.00 H new ATOM 0 HD12 ILE A 30 33.962 29.654 14.593 1.00 0.00 H new ATOM 0 HD13 ILE A 30 33.077 31.070 15.207 1.00 0.00 H new ATOM 490 N GLN A 31 38.730 32.084 15.645 1.00 0.00 N ATOM 491 CA GLN A 31 39.702 32.527 16.643 1.00 0.00 C ATOM 492 C GLN A 31 40.674 33.528 16.027 1.00 0.00 C ATOM 493 O GLN A 31 40.794 34.663 16.487 1.00 0.00 O ATOM 494 CB GLN A 31 40.479 31.326 17.191 1.00 0.00 C ATOM 495 CG GLN A 31 41.545 31.811 18.176 1.00 0.00 C ATOM 496 CD GLN A 31 42.104 30.632 18.966 1.00 0.00 C ATOM 497 OE1 GLN A 31 41.767 29.416 18.633 1.00 0.00 O flip ATOM 498 NE2 GLN A 31 42.870 30.824 19.911 1.00 0.00 N flip ATOM 0 H GLN A 31 38.765 31.088 15.427 1.00 0.00 H new ATOM 0 HA GLN A 31 39.165 33.010 17.459 1.00 0.00 H new ATOM 0 HB2 GLN A 31 39.798 30.635 17.688 1.00 0.00 H new ATOM 0 HB3 GLN A 31 40.947 30.779 16.373 1.00 0.00 H new ATOM 0 HG2 GLN A 31 42.349 32.311 17.636 1.00 0.00 H new ATOM 0 HG3 GLN A 31 41.114 32.544 18.858 1.00 0.00 H new ATOM 0 HE21 GLN A 31 43.132 31.775 20.170 1.00 0.00 H new ATOM 0 HE22 GLN A 31 43.242 30.032 20.435 1.00 0.00 H new ATOM 507 N ASP A 32 41.376 33.079 15.001 1.00 0.00 N ATOM 508 CA ASP A 32 42.358 33.923 14.330 1.00 0.00 C ATOM 509 C ASP A 32 41.761 35.275 13.918 1.00 0.00 C ATOM 510 O ASP A 32 42.451 36.292 13.951 1.00 0.00 O ATOM 511 CB ASP A 32 42.905 33.201 13.095 1.00 0.00 C ATOM 512 CG ASP A 32 43.807 32.045 13.522 1.00 0.00 C ATOM 513 OD1 ASP A 32 44.419 32.152 14.574 1.00 0.00 O ATOM 514 OD2 ASP A 32 43.872 31.069 12.793 1.00 0.00 O ATOM 0 H ASP A 32 41.287 32.140 14.613 1.00 0.00 H new ATOM 0 HA ASP A 32 43.167 34.117 15.035 1.00 0.00 H new ATOM 0 HB2 ASP A 32 42.081 32.825 12.489 1.00 0.00 H new ATOM 0 HB3 ASP A 32 43.465 33.900 12.474 1.00 0.00 H new ATOM 519 N LYS A 33 40.491 35.281 13.507 1.00 0.00 N ATOM 520 CA LYS A 33 39.847 36.524 13.067 1.00 0.00 C ATOM 521 C LYS A 33 39.349 37.396 14.228 1.00 0.00 C ATOM 522 O LYS A 33 39.424 38.622 14.147 1.00 0.00 O ATOM 523 CB LYS A 33 38.668 36.209 12.153 1.00 0.00 C ATOM 524 CG LYS A 33 39.139 35.393 10.948 1.00 0.00 C ATOM 525 CD LYS A 33 37.920 34.954 10.134 1.00 0.00 C ATOM 526 CE LYS A 33 38.376 34.289 8.832 1.00 0.00 C ATOM 527 NZ LYS A 33 37.181 33.880 8.038 1.00 0.00 N ATOM 0 H LYS A 33 39.895 34.454 13.469 1.00 0.00 H new ATOM 0 HA LYS A 33 40.613 37.089 12.536 1.00 0.00 H new ATOM 0 HB2 LYS A 33 37.909 35.653 12.704 1.00 0.00 H new ATOM 0 HB3 LYS A 33 38.202 37.135 11.815 1.00 0.00 H new ATOM 0 HG2 LYS A 33 39.810 35.989 10.329 1.00 0.00 H new ATOM 0 HG3 LYS A 33 39.703 34.521 11.281 1.00 0.00 H new ATOM 0 HD2 LYS A 33 37.315 34.259 10.715 1.00 0.00 H new ATOM 0 HD3 LYS A 33 37.291 35.816 9.912 1.00 0.00 H new ATOM 0 HE2 LYS A 33 38.991 34.979 8.254 1.00 0.00 H new ATOM 0 HE3 LYS A 33 38.995 33.419 9.053 1.00 0.00 H new ATOM 0 HZ1 LYS A 33 37.394 33.961 7.023 1.00 0.00 H new ATOM 0 HZ2 LYS A 33 36.936 32.895 8.263 1.00 0.00 H new ATOM 0 HZ3 LYS A 33 36.379 34.499 8.274 1.00 0.00 H new ATOM 541 N GLU A 34 38.798 36.780 15.282 1.00 0.00 N ATOM 542 CA GLU A 34 38.247 37.551 16.414 1.00 0.00 C ATOM 543 C GLU A 34 39.097 37.442 17.681 1.00 0.00 C ATOM 544 O GLU A 34 38.751 38.026 18.707 1.00 0.00 O ATOM 545 CB GLU A 34 36.833 37.057 16.732 1.00 0.00 C ATOM 546 CG GLU A 34 35.988 37.038 15.457 1.00 0.00 C ATOM 547 CD GLU A 34 34.537 36.720 15.800 1.00 0.00 C ATOM 548 OE1 GLU A 34 34.322 35.862 16.640 1.00 0.00 O ATOM 549 OE2 GLU A 34 33.662 37.341 15.220 1.00 0.00 O ATOM 0 H GLU A 34 38.720 35.768 15.379 1.00 0.00 H new ATOM 0 HA GLU A 34 38.241 38.597 16.107 1.00 0.00 H new ATOM 0 HB2 GLU A 34 36.877 36.057 17.165 1.00 0.00 H new ATOM 0 HB3 GLU A 34 36.370 37.706 17.475 1.00 0.00 H new ATOM 0 HG2 GLU A 34 36.049 38.004 14.956 1.00 0.00 H new ATOM 0 HG3 GLU A 34 36.378 36.294 14.763 1.00 0.00 H new ATOM 556 N GLY A 35 40.222 36.745 17.613 1.00 0.00 N ATOM 557 CA GLY A 35 41.100 36.627 18.777 1.00 0.00 C ATOM 558 C GLY A 35 40.391 36.027 19.998 1.00 0.00 C ATOM 559 O GLY A 35 40.870 36.167 21.124 1.00 0.00 O ATOM 0 H GLY A 35 40.549 36.258 16.779 1.00 0.00 H new ATOM 0 HA2 GLY A 35 41.957 36.005 18.518 1.00 0.00 H new ATOM 0 HA3 GLY A 35 41.488 37.612 19.035 1.00 0.00 H new ATOM 563 N ILE A 36 39.256 35.361 19.781 1.00 0.00 N ATOM 564 CA ILE A 36 38.511 34.752 20.879 1.00 0.00 C ATOM 565 C ILE A 36 39.014 33.324 21.153 1.00 0.00 C ATOM 566 O ILE A 36 39.040 32.502 20.236 1.00 0.00 O ATOM 567 CB ILE A 36 37.038 34.702 20.507 1.00 0.00 C ATOM 568 CG1 ILE A 36 36.568 36.126 20.219 1.00 0.00 C ATOM 569 CG2 ILE A 36 36.244 34.109 21.673 1.00 0.00 C ATOM 570 CD1 ILE A 36 35.106 36.111 19.797 1.00 0.00 C ATOM 0 H ILE A 36 38.836 35.231 18.861 1.00 0.00 H new ATOM 0 HA ILE A 36 38.656 35.350 21.779 1.00 0.00 H new ATOM 0 HB ILE A 36 36.885 34.079 19.626 1.00 0.00 H new ATOM 0 HG12 ILE A 36 36.694 36.747 21.106 1.00 0.00 H new ATOM 0 HG13 ILE A 36 37.179 36.568 19.432 1.00 0.00 H new ATOM 0 HG21 ILE A 36 35.187 34.071 21.411 1.00 0.00 H new ATOM 0 HG22 ILE A 36 36.603 33.101 21.882 1.00 0.00 H new ATOM 0 HG23 ILE A 36 36.377 34.732 22.558 1.00 0.00 H new ATOM 0 HD11 ILE A 36 34.776 37.130 19.593 1.00 0.00 H new ATOM 0 HD12 ILE A 36 34.993 35.506 18.898 1.00 0.00 H new ATOM 0 HD13 ILE A 36 34.500 35.687 20.598 1.00 0.00 H new ATOM 582 N PRO A 37 39.409 32.993 22.372 1.00 0.00 N ATOM 583 CA PRO A 37 39.900 31.621 22.690 1.00 0.00 C ATOM 584 C PRO A 37 38.740 30.608 22.827 1.00 0.00 C ATOM 585 O PRO A 37 37.789 30.844 23.584 1.00 0.00 O ATOM 586 CB PRO A 37 40.630 31.801 24.024 1.00 0.00 C ATOM 587 CG PRO A 37 39.930 32.940 24.687 1.00 0.00 C ATOM 588 CD PRO A 37 39.441 33.862 23.563 1.00 0.00 C ATOM 0 HA PRO A 37 40.536 31.218 21.902 1.00 0.00 H new ATOM 0 HB2 PRO A 37 40.577 30.897 24.630 1.00 0.00 H new ATOM 0 HB3 PRO A 37 41.687 32.020 23.871 1.00 0.00 H new ATOM 0 HG2 PRO A 37 39.094 32.584 25.289 1.00 0.00 H new ATOM 0 HG3 PRO A 37 40.604 33.471 25.359 1.00 0.00 H new ATOM 0 HD2 PRO A 37 38.455 34.272 23.784 1.00 0.00 H new ATOM 0 HD3 PRO A 37 40.113 34.708 23.421 1.00 0.00 H new ATOM 596 N PRO A 38 38.792 29.490 22.128 1.00 0.00 N ATOM 597 CA PRO A 38 37.727 28.445 22.204 1.00 0.00 C ATOM 598 C PRO A 38 37.263 28.171 23.635 1.00 0.00 C ATOM 599 O PRO A 38 36.252 27.500 23.847 1.00 0.00 O ATOM 600 CB PRO A 38 38.393 27.211 21.599 1.00 0.00 C ATOM 601 CG PRO A 38 39.365 27.756 20.612 1.00 0.00 C ATOM 602 CD PRO A 38 39.856 29.089 21.184 1.00 0.00 C ATOM 0 HA PRO A 38 36.822 28.753 21.681 1.00 0.00 H new ATOM 0 HB2 PRO A 38 38.894 26.616 22.363 1.00 0.00 H new ATOM 0 HB3 PRO A 38 37.662 26.561 21.118 1.00 0.00 H new ATOM 0 HG2 PRO A 38 40.196 27.067 20.464 1.00 0.00 H new ATOM 0 HG3 PRO A 38 38.893 27.900 19.640 1.00 0.00 H new ATOM 0 HD2 PRO A 38 40.815 28.977 21.689 1.00 0.00 H new ATOM 0 HD3 PRO A 38 39.994 29.833 20.399 1.00 0.00 H new ATOM 610 N ASP A 39 38.009 28.677 24.617 1.00 0.00 N ATOM 611 CA ASP A 39 37.656 28.462 26.019 1.00 0.00 C ATOM 612 C ASP A 39 36.567 29.430 26.475 1.00 0.00 C ATOM 613 O ASP A 39 35.633 29.040 27.173 1.00 0.00 O ATOM 614 CB ASP A 39 38.894 28.641 26.899 1.00 0.00 C ATOM 615 CG ASP A 39 39.870 27.493 26.671 1.00 0.00 C ATOM 616 OD1 ASP A 39 39.473 26.519 26.052 1.00 0.00 O ATOM 617 OD2 ASP A 39 41.000 27.603 27.116 1.00 0.00 O ATOM 0 H ASP A 39 38.852 29.232 24.470 1.00 0.00 H new ATOM 0 HA ASP A 39 37.274 27.446 26.115 1.00 0.00 H new ATOM 0 HB2 ASP A 39 39.378 29.591 26.670 1.00 0.00 H new ATOM 0 HB3 ASP A 39 38.602 28.677 27.948 1.00 0.00 H new ATOM 622 N GLN A 40 36.705 30.694 26.095 1.00 0.00 N ATOM 623 CA GLN A 40 35.737 31.709 26.493 1.00 0.00 C ATOM 624 C GLN A 40 34.476 31.639 25.644 1.00 0.00 C ATOM 625 O GLN A 40 33.448 32.203 26.019 1.00 0.00 O ATOM 626 CB GLN A 40 36.354 33.102 26.351 1.00 0.00 C ATOM 627 CG GLN A 40 37.422 33.290 27.427 1.00 0.00 C ATOM 628 CD GLN A 40 38.095 34.652 27.267 1.00 0.00 C ATOM 629 OE1 GLN A 40 37.549 35.553 26.495 1.00 0.00 O flip ATOM 630 NE2 GLN A 40 39.144 34.901 27.862 1.00 0.00 N flip ATOM 0 H GLN A 40 37.471 31.039 25.517 1.00 0.00 H new ATOM 0 HA GLN A 40 35.469 31.520 27.532 1.00 0.00 H new ATOM 0 HB2 GLN A 40 36.794 33.219 25.361 1.00 0.00 H new ATOM 0 HB3 GLN A 40 35.583 33.866 26.449 1.00 0.00 H new ATOM 0 HG2 GLN A 40 36.970 33.213 28.416 1.00 0.00 H new ATOM 0 HG3 GLN A 40 38.166 32.497 27.354 1.00 0.00 H new ATOM 0 HE21 GLN A 40 39.568 34.196 28.464 1.00 0.00 H new ATOM 0 HE22 GLN A 40 39.588 35.813 27.753 1.00 0.00 H new ATOM 639 N GLN A 41 34.546 30.957 24.498 1.00 0.00 N ATOM 640 CA GLN A 41 33.388 30.843 23.610 1.00 0.00 C ATOM 641 C GLN A 41 32.883 29.405 23.511 1.00 0.00 C ATOM 642 O GLN A 41 33.637 28.447 23.679 1.00 0.00 O ATOM 643 CB GLN A 41 33.767 31.330 22.215 1.00 0.00 C ATOM 644 CG GLN A 41 34.973 30.541 21.706 1.00 0.00 C ATOM 645 CD GLN A 41 35.461 31.125 20.385 1.00 0.00 C ATOM 646 OE1 GLN A 41 35.096 32.245 20.029 1.00 0.00 O ATOM 647 NE2 GLN A 41 36.274 30.433 19.634 1.00 0.00 N ATOM 0 H GLN A 41 35.384 30.480 24.166 1.00 0.00 H new ATOM 0 HA GLN A 41 32.590 31.456 24.029 1.00 0.00 H new ATOM 0 HB2 GLN A 41 32.925 31.206 21.534 1.00 0.00 H new ATOM 0 HB3 GLN A 41 34.001 32.394 22.242 1.00 0.00 H new ATOM 0 HG2 GLN A 41 35.775 30.571 22.444 1.00 0.00 H new ATOM 0 HG3 GLN A 41 34.702 29.494 21.572 1.00 0.00 H new ATOM 0 HE21 GLN A 41 36.576 29.505 19.930 1.00 0.00 H new ATOM 0 HE22 GLN A 41 36.607 30.821 18.751 1.00 0.00 H new ATOM 656 N ARG A 42 31.591 29.282 23.212 1.00 0.00 N ATOM 657 CA ARG A 42 30.938 27.985 23.049 1.00 0.00 C ATOM 658 C ARG A 42 30.142 28.024 21.754 1.00 0.00 C ATOM 659 O ARG A 42 29.434 28.998 21.492 1.00 0.00 O ATOM 660 CB ARG A 42 29.997 27.708 24.230 1.00 0.00 C ATOM 661 CG ARG A 42 30.805 27.543 25.531 1.00 0.00 C ATOM 662 CD ARG A 42 31.263 26.088 25.687 1.00 0.00 C ATOM 663 NE ARG A 42 32.003 25.921 26.934 1.00 0.00 N ATOM 664 CZ ARG A 42 32.286 24.713 27.409 1.00 0.00 C ATOM 665 NH1 ARG A 42 32.957 24.588 28.521 1.00 0.00 N ATOM 666 NH2 ARG A 42 31.891 23.648 26.764 1.00 0.00 N ATOM 0 H ARG A 42 30.968 30.078 23.076 1.00 0.00 H new ATOM 0 HA ARG A 42 31.685 27.191 23.017 1.00 0.00 H new ATOM 0 HB2 ARG A 42 29.286 28.527 24.337 1.00 0.00 H new ATOM 0 HB3 ARG A 42 29.417 26.806 24.037 1.00 0.00 H new ATOM 0 HG2 ARG A 42 31.671 28.205 25.517 1.00 0.00 H new ATOM 0 HG3 ARG A 42 30.195 27.834 26.386 1.00 0.00 H new ATOM 0 HD2 ARG A 42 30.398 25.424 25.678 1.00 0.00 H new ATOM 0 HD3 ARG A 42 31.891 25.805 24.843 1.00 0.00 H new ATOM 0 HE ARG A 42 32.308 26.746 27.450 1.00 0.00 H new ATOM 0 HH11 ARG A 42 33.265 25.418 29.027 1.00 0.00 H new ATOM 0 HH12 ARG A 42 33.173 23.660 28.884 1.00 0.00 H new ATOM 0 HH21 ARG A 42 31.365 23.744 25.895 1.00 0.00 H new ATOM 0 HH22 ARG A 42 32.109 22.721 27.129 1.00 0.00 H new ATOM 680 N LEU A 43 30.262 26.990 20.926 1.00 0.00 N ATOM 681 CA LEU A 43 29.547 26.968 19.652 1.00 0.00 C ATOM 682 C LEU A 43 28.200 26.280 19.783 1.00 0.00 C ATOM 683 O LEU A 43 28.122 25.099 20.143 1.00 0.00 O ATOM 684 CB LEU A 43 30.381 26.230 18.607 1.00 0.00 C ATOM 685 CG LEU A 43 31.818 26.764 18.568 1.00 0.00 C ATOM 686 CD1 LEU A 43 32.489 26.288 17.285 1.00 0.00 C ATOM 687 CD2 LEU A 43 31.829 28.291 18.598 1.00 0.00 C ATOM 0 H LEU A 43 30.838 26.168 21.109 1.00 0.00 H new ATOM 0 HA LEU A 43 29.381 28.001 19.345 1.00 0.00 H new ATOM 0 HB2 LEU A 43 30.392 25.164 18.833 1.00 0.00 H new ATOM 0 HB3 LEU A 43 29.921 26.343 17.625 1.00 0.00 H new ATOM 0 HG LEU A 43 32.354 26.392 19.441 1.00 0.00 H new ATOM 0 HD11 LEU A 43 33.512 26.663 17.249 1.00 0.00 H new ATOM 0 HD12 LEU A 43 32.501 25.198 17.263 1.00 0.00 H new ATOM 0 HD13 LEU A 43 31.935 26.662 16.424 1.00 0.00 H new ATOM 0 HD21 LEU A 43 32.858 28.648 18.570 1.00 0.00 H new ATOM 0 HD22 LEU A 43 31.287 28.676 17.734 1.00 0.00 H new ATOM 0 HD23 LEU A 43 31.349 28.640 19.512 1.00 0.00 H new ATOM 699 N ILE A 44 27.141 27.034 19.485 1.00 0.00 N ATOM 700 CA ILE A 44 25.771 26.513 19.565 1.00 0.00 C ATOM 701 C ILE A 44 25.104 26.475 18.189 1.00 0.00 C ATOM 702 O ILE A 44 25.004 27.497 17.505 1.00 0.00 O ATOM 703 CB ILE A 44 24.935 27.400 20.490 1.00 0.00 C ATOM 704 CG1 ILE A 44 25.660 27.603 21.827 1.00 0.00 C ATOM 705 CG2 ILE A 44 23.573 26.747 20.736 1.00 0.00 C ATOM 706 CD1 ILE A 44 26.003 26.251 22.469 1.00 0.00 C ATOM 0 H ILE A 44 27.203 28.007 19.186 1.00 0.00 H new ATOM 0 HA ILE A 44 25.826 25.497 19.955 1.00 0.00 H new ATOM 0 HB ILE A 44 24.792 28.371 20.015 1.00 0.00 H new ATOM 0 HG12 ILE A 44 26.572 28.178 21.668 1.00 0.00 H new ATOM 0 HG13 ILE A 44 25.032 28.183 22.503 1.00 0.00 H new ATOM 0 HG21 ILE A 44 22.979 27.381 21.395 1.00 0.00 H new ATOM 0 HG22 ILE A 44 23.052 26.623 19.787 1.00 0.00 H new ATOM 0 HG23 ILE A 44 23.716 25.772 21.202 1.00 0.00 H new ATOM 0 HD11 ILE A 44 26.517 26.418 23.416 1.00 0.00 H new ATOM 0 HD12 ILE A 44 25.086 25.690 22.648 1.00 0.00 H new ATOM 0 HD13 ILE A 44 26.651 25.684 21.800 1.00 0.00 H new ATOM 718 N PHE A 45 24.634 25.290 17.800 1.00 0.00 N ATOM 719 CA PHE A 45 23.955 25.105 16.516 1.00 0.00 C ATOM 720 C PHE A 45 22.765 24.171 16.697 1.00 0.00 C ATOM 721 O PHE A 45 22.923 23.029 17.122 1.00 0.00 O ATOM 722 CB PHE A 45 24.917 24.494 15.492 1.00 0.00 C ATOM 723 CG PHE A 45 24.189 24.228 14.197 1.00 0.00 C ATOM 724 CD1 PHE A 45 24.154 25.203 13.193 1.00 0.00 C ATOM 725 CD2 PHE A 45 23.558 22.997 14.000 1.00 0.00 C ATOM 726 CE1 PHE A 45 23.488 24.943 11.989 1.00 0.00 C ATOM 727 CE2 PHE A 45 22.890 22.736 12.798 1.00 0.00 C ATOM 728 CZ PHE A 45 22.856 23.710 11.791 1.00 0.00 C ATOM 0 H PHE A 45 24.711 24.440 18.358 1.00 0.00 H new ATOM 0 HA PHE A 45 23.614 26.076 16.157 1.00 0.00 H new ATOM 0 HB2 PHE A 45 25.753 25.171 15.317 1.00 0.00 H new ATOM 0 HB3 PHE A 45 25.335 23.566 15.882 1.00 0.00 H new ATOM 0 HD1 PHE A 45 24.640 26.155 13.347 1.00 0.00 H new ATOM 0 HD2 PHE A 45 23.586 22.246 14.776 1.00 0.00 H new ATOM 0 HE1 PHE A 45 23.462 25.694 11.213 1.00 0.00 H new ATOM 0 HE2 PHE A 45 22.401 21.785 12.647 1.00 0.00 H new ATOM 0 HZ PHE A 45 22.342 23.509 10.862 1.00 0.00 H new ATOM 738 N ALA A 46 21.574 24.664 16.378 1.00 0.00 N ATOM 739 CA ALA A 46 20.366 23.858 16.514 1.00 0.00 C ATOM 740 C ALA A 46 20.232 23.305 17.934 1.00 0.00 C ATOM 741 O ALA A 46 19.725 22.201 18.135 1.00 0.00 O ATOM 742 CB ALA A 46 20.397 22.704 15.515 1.00 0.00 C ATOM 0 H ALA A 46 21.419 25.609 16.027 1.00 0.00 H new ATOM 0 HA ALA A 46 19.506 24.496 16.310 1.00 0.00 H new ATOM 0 HB1 ALA A 46 19.492 22.106 15.622 1.00 0.00 H new ATOM 0 HB2 ALA A 46 20.452 23.101 14.502 1.00 0.00 H new ATOM 0 HB3 ALA A 46 21.269 22.080 15.707 1.00 0.00 H new ATOM 748 N GLY A 47 20.675 24.087 18.915 1.00 0.00 N ATOM 749 CA GLY A 47 20.585 23.675 20.315 1.00 0.00 C ATOM 750 C GLY A 47 21.538 22.525 20.642 1.00 0.00 C ATOM 751 O GLY A 47 21.387 21.866 21.671 1.00 0.00 O ATOM 0 H GLY A 47 21.097 25.004 18.769 1.00 0.00 H new ATOM 0 HA2 GLY A 47 20.812 24.526 20.957 1.00 0.00 H new ATOM 0 HA3 GLY A 47 19.562 23.371 20.537 1.00 0.00 H new ATOM 755 N LYS A 48 22.526 22.289 19.775 1.00 0.00 N ATOM 756 CA LYS A 48 23.504 21.214 19.997 1.00 0.00 C ATOM 757 C LYS A 48 24.920 21.772 19.985 1.00 0.00 C ATOM 758 O LYS A 48 25.310 22.450 19.033 1.00 0.00 O ATOM 759 CB LYS A 48 23.385 20.159 18.904 1.00 0.00 C ATOM 760 CG LYS A 48 21.938 19.664 18.805 1.00 0.00 C ATOM 761 CD LYS A 48 21.735 18.936 17.472 1.00 0.00 C ATOM 762 CE LYS A 48 22.647 17.707 17.406 1.00 0.00 C ATOM 763 NZ LYS A 48 22.561 16.956 18.690 1.00 0.00 N ATOM 0 H LYS A 48 22.672 22.822 18.918 1.00 0.00 H new ATOM 0 HA LYS A 48 23.297 20.765 20.968 1.00 0.00 H new ATOM 0 HB2 LYS A 48 23.701 20.577 17.948 1.00 0.00 H new ATOM 0 HB3 LYS A 48 24.050 19.323 19.121 1.00 0.00 H new ATOM 0 HG2 LYS A 48 21.715 18.994 19.635 1.00 0.00 H new ATOM 0 HG3 LYS A 48 21.249 20.505 18.880 1.00 0.00 H new ATOM 0 HD2 LYS A 48 20.693 18.633 17.368 1.00 0.00 H new ATOM 0 HD3 LYS A 48 21.955 19.608 16.643 1.00 0.00 H new ATOM 0 HE2 LYS A 48 22.351 17.065 16.576 1.00 0.00 H new ATOM 0 HE3 LYS A 48 23.676 18.014 17.220 1.00 0.00 H new ATOM 0 HZ1 LYS A 48 22.839 15.966 18.533 1.00 0.00 H new ATOM 0 HZ2 LYS A 48 23.199 17.388 19.388 1.00 0.00 H new ATOM 0 HZ3 LYS A 48 21.585 16.988 19.046 1.00 0.00 H new ATOM 777 N GLN A 49 25.703 21.474 21.022 1.00 0.00 N ATOM 778 CA GLN A 49 27.076 21.946 21.077 1.00 0.00 C ATOM 779 C GLN A 49 27.932 21.167 20.094 1.00 0.00 C ATOM 780 O GLN A 49 27.879 19.939 20.046 1.00 0.00 O ATOM 781 CB GLN A 49 27.641 21.779 22.479 1.00 0.00 C ATOM 782 CG GLN A 49 27.026 22.819 23.414 1.00 0.00 C ATOM 783 CD GLN A 49 27.426 22.527 24.855 1.00 0.00 C ATOM 784 OE1 GLN A 49 27.907 21.436 25.161 1.00 0.00 O ATOM 785 NE2 GLN A 49 27.253 23.445 25.766 1.00 0.00 N ATOM 0 H GLN A 49 25.410 20.915 21.823 1.00 0.00 H new ATOM 0 HA GLN A 49 27.087 23.003 20.813 1.00 0.00 H new ATOM 0 HB2 GLN A 49 27.430 20.775 22.848 1.00 0.00 H new ATOM 0 HB3 GLN A 49 28.725 21.891 22.459 1.00 0.00 H new ATOM 0 HG2 GLN A 49 27.360 23.817 23.131 1.00 0.00 H new ATOM 0 HG3 GLN A 49 25.940 22.807 23.320 1.00 0.00 H new ATOM 0 HE21 GLN A 49 26.854 24.348 25.510 1.00 0.00 H new ATOM 0 HE22 GLN A 49 27.517 23.259 26.734 1.00 0.00 H new ATOM 794 N LEU A 50 28.692 21.883 19.288 1.00 0.00 N ATOM 795 CA LEU A 50 29.522 21.240 18.280 1.00 0.00 C ATOM 796 C LEU A 50 30.659 20.470 18.928 1.00 0.00 C ATOM 797 O LEU A 50 31.366 20.988 19.792 1.00 0.00 O ATOM 798 CB LEU A 50 30.061 22.289 17.300 1.00 0.00 C ATOM 799 CG LEU A 50 28.923 22.846 16.416 1.00 0.00 C ATOM 800 CD1 LEU A 50 28.231 21.713 15.630 1.00 0.00 C ATOM 801 CD2 LEU A 50 27.893 23.578 17.289 1.00 0.00 C ATOM 0 H LEU A 50 28.754 22.901 19.308 1.00 0.00 H new ATOM 0 HA LEU A 50 28.911 20.527 17.727 1.00 0.00 H new ATOM 0 HB2 LEU A 50 30.531 23.103 17.853 1.00 0.00 H new ATOM 0 HB3 LEU A 50 30.832 21.844 16.671 1.00 0.00 H new ATOM 0 HG LEU A 50 29.356 23.546 15.701 1.00 0.00 H new ATOM 0 HD11 LEU A 50 27.434 22.131 15.015 1.00 0.00 H new ATOM 0 HD12 LEU A 50 28.960 21.216 14.990 1.00 0.00 H new ATOM 0 HD13 LEU A 50 27.810 20.990 16.329 1.00 0.00 H new ATOM 0 HD21 LEU A 50 27.094 23.968 16.659 1.00 0.00 H new ATOM 0 HD22 LEU A 50 27.475 22.884 18.018 1.00 0.00 H new ATOM 0 HD23 LEU A 50 28.379 24.403 17.811 1.00 0.00 H new ATOM 813 N GLU A 51 30.806 19.215 18.502 1.00 0.00 N ATOM 814 CA GLU A 51 31.835 18.340 19.033 1.00 0.00 C ATOM 815 C GLU A 51 33.222 18.759 18.551 1.00 0.00 C ATOM 816 O GLU A 51 33.430 19.001 17.362 1.00 0.00 O ATOM 817 CB GLU A 51 31.540 16.898 18.608 1.00 0.00 C ATOM 818 CG GLU A 51 32.255 15.936 19.549 1.00 0.00 C ATOM 819 CD GLU A 51 32.194 14.518 18.991 1.00 0.00 C ATOM 820 OE1 GLU A 51 33.096 14.151 18.257 1.00 0.00 O ATOM 821 OE2 GLU A 51 31.244 13.818 19.306 1.00 0.00 O ATOM 0 H GLU A 51 30.219 18.786 17.787 1.00 0.00 H new ATOM 0 HA GLU A 51 31.827 18.413 20.121 1.00 0.00 H new ATOM 0 HB2 GLU A 51 30.466 16.714 18.629 1.00 0.00 H new ATOM 0 HB3 GLU A 51 31.871 16.735 17.583 1.00 0.00 H new ATOM 0 HG2 GLU A 51 33.294 16.242 19.674 1.00 0.00 H new ATOM 0 HG3 GLU A 51 31.792 15.968 20.535 1.00 0.00 H new ATOM 828 N ASP A 52 34.153 18.857 19.493 1.00 0.00 N ATOM 829 CA ASP A 52 35.514 19.266 19.190 1.00 0.00 C ATOM 830 C ASP A 52 36.228 18.293 18.242 1.00 0.00 C ATOM 831 O ASP A 52 37.457 18.287 18.191 1.00 0.00 O ATOM 832 CB ASP A 52 36.316 19.366 20.490 1.00 0.00 C ATOM 833 CG ASP A 52 35.511 20.106 21.553 1.00 0.00 C ATOM 834 OD1 ASP A 52 34.346 19.783 21.719 1.00 0.00 O ATOM 835 OD2 ASP A 52 36.072 20.982 22.189 1.00 0.00 O ATOM 0 H ASP A 52 33.985 18.657 20.479 1.00 0.00 H new ATOM 0 HA ASP A 52 35.454 20.233 18.690 1.00 0.00 H new ATOM 0 HB2 ASP A 52 36.570 18.368 20.846 1.00 0.00 H new ATOM 0 HB3 ASP A 52 37.255 19.888 20.307 1.00 0.00 H new ATOM 840 N GLY A 53 35.486 17.466 17.494 1.00 0.00 N ATOM 841 CA GLY A 53 36.149 16.522 16.587 1.00 0.00 C ATOM 842 C GLY A 53 35.231 15.976 15.489 1.00 0.00 C ATOM 843 O GLY A 53 35.544 14.951 14.884 1.00 0.00 O ATOM 0 H GLY A 53 34.467 17.430 17.496 1.00 0.00 H new ATOM 0 HA2 GLY A 53 37.002 17.016 16.123 1.00 0.00 H new ATOM 0 HA3 GLY A 53 36.542 15.688 17.168 1.00 0.00 H new ATOM 847 N ARG A 54 34.110 16.648 15.213 1.00 0.00 N ATOM 848 CA ARG A 54 33.187 16.179 14.161 1.00 0.00 C ATOM 849 C ARG A 54 33.322 17.021 12.895 1.00 0.00 C ATOM 850 O ARG A 54 33.995 18.053 12.888 1.00 0.00 O ATOM 851 CB ARG A 54 31.733 16.239 14.667 1.00 0.00 C ATOM 852 CG ARG A 54 31.428 15.027 15.566 1.00 0.00 C ATOM 853 CD ARG A 54 30.997 13.821 14.716 1.00 0.00 C ATOM 854 NE ARG A 54 30.665 12.693 15.579 1.00 0.00 N ATOM 855 CZ ARG A 54 29.556 12.692 16.311 1.00 0.00 C ATOM 856 NH1 ARG A 54 29.275 11.668 17.069 1.00 0.00 N ATOM 857 NH2 ARG A 54 28.749 13.717 16.271 1.00 0.00 N ATOM 0 H ARG A 54 33.818 17.502 15.689 1.00 0.00 H new ATOM 0 HA ARG A 54 33.448 15.148 13.921 1.00 0.00 H new ATOM 0 HB2 ARG A 54 31.573 17.162 15.224 1.00 0.00 H new ATOM 0 HB3 ARG A 54 31.047 16.254 13.820 1.00 0.00 H new ATOM 0 HG2 ARG A 54 32.311 14.770 16.152 1.00 0.00 H new ATOM 0 HG3 ARG A 54 30.639 15.281 16.274 1.00 0.00 H new ATOM 0 HD2 ARG A 54 30.135 14.087 14.104 1.00 0.00 H new ATOM 0 HD3 ARG A 54 31.799 13.542 14.033 1.00 0.00 H new ATOM 0 HE ARG A 54 31.295 11.892 15.621 1.00 0.00 H new ATOM 0 HH11 ARG A 54 29.907 10.868 17.100 1.00 0.00 H new ATOM 0 HH12 ARG A 54 28.424 11.668 17.631 1.00 0.00 H new ATOM 0 HH21 ARG A 54 28.970 14.517 15.678 1.00 0.00 H new ATOM 0 HH22 ARG A 54 27.897 13.718 16.832 1.00 0.00 H new ATOM 871 N THR A 55 32.666 16.562 11.824 1.00 0.00 N ATOM 872 CA THR A 55 32.686 17.262 10.538 1.00 0.00 C ATOM 873 C THR A 55 31.342 17.943 10.286 1.00 0.00 C ATOM 874 O THR A 55 30.283 17.458 10.717 1.00 0.00 O ATOM 875 CB THR A 55 32.974 16.265 9.410 1.00 0.00 C ATOM 876 OG1 THR A 55 31.972 15.257 9.404 1.00 0.00 O ATOM 877 CG2 THR A 55 34.347 15.621 9.629 1.00 0.00 C ATOM 0 H THR A 55 32.113 15.705 11.824 1.00 0.00 H new ATOM 0 HA THR A 55 33.469 18.020 10.563 1.00 0.00 H new ATOM 0 HB THR A 55 32.971 16.789 8.454 1.00 0.00 H new ATOM 0 HG1 THR A 55 32.154 14.620 8.682 1.00 0.00 H new ATOM 0 HG21 THR A 55 34.549 14.913 8.826 1.00 0.00 H new ATOM 0 HG22 THR A 55 35.115 16.394 9.633 1.00 0.00 H new ATOM 0 HG23 THR A 55 34.355 15.097 10.585 1.00 0.00 H new ATOM 885 N LEU A 56 31.366 19.054 9.559 1.00 0.00 N ATOM 886 CA LEU A 56 30.137 19.746 9.254 1.00 0.00 C ATOM 887 C LEU A 56 29.195 18.807 8.516 1.00 0.00 C ATOM 888 O LEU A 56 27.987 18.852 8.726 1.00 0.00 O ATOM 889 CB LEU A 56 30.419 20.991 8.411 1.00 0.00 C ATOM 890 CG LEU A 56 30.999 22.107 9.298 1.00 0.00 C ATOM 891 CD1 LEU A 56 32.430 21.750 9.725 1.00 0.00 C ATOM 892 CD2 LEU A 56 31.015 23.410 8.502 1.00 0.00 C ATOM 0 H LEU A 56 32.210 19.482 9.179 1.00 0.00 H new ATOM 0 HA LEU A 56 29.667 20.065 10.184 1.00 0.00 H new ATOM 0 HB2 LEU A 56 31.120 20.748 7.613 1.00 0.00 H new ATOM 0 HB3 LEU A 56 29.500 21.334 7.935 1.00 0.00 H new ATOM 0 HG LEU A 56 30.383 22.221 10.190 1.00 0.00 H new ATOM 0 HD11 LEU A 56 32.832 22.546 10.352 1.00 0.00 H new ATOM 0 HD12 LEU A 56 32.420 20.816 10.286 1.00 0.00 H new ATOM 0 HD13 LEU A 56 33.056 21.635 8.840 1.00 0.00 H new ATOM 0 HD21 LEU A 56 31.424 24.209 9.120 1.00 0.00 H new ATOM 0 HD22 LEU A 56 31.634 23.286 7.613 1.00 0.00 H new ATOM 0 HD23 LEU A 56 29.999 23.667 8.204 1.00 0.00 H new ATOM 904 N SER A 57 29.744 17.962 7.636 1.00 0.00 N ATOM 905 CA SER A 57 28.924 17.030 6.862 1.00 0.00 C ATOM 906 C SER A 57 27.886 16.340 7.740 1.00 0.00 C ATOM 907 O SER A 57 26.723 16.190 7.343 1.00 0.00 O ATOM 908 CB SER A 57 29.819 15.976 6.208 1.00 0.00 C ATOM 909 OG SER A 57 30.723 16.615 5.315 1.00 0.00 O ATOM 0 H SER A 57 30.744 17.906 7.445 1.00 0.00 H new ATOM 0 HA SER A 57 28.398 17.600 6.096 1.00 0.00 H new ATOM 0 HB2 SER A 57 30.371 15.427 6.971 1.00 0.00 H new ATOM 0 HB3 SER A 57 29.211 15.249 5.670 1.00 0.00 H new ATOM 0 HG SER A 57 31.440 17.045 5.827 1.00 0.00 H new ATOM 915 N ASP A 58 28.294 15.947 8.941 1.00 0.00 N ATOM 916 CA ASP A 58 27.364 15.308 9.857 1.00 0.00 C ATOM 917 C ASP A 58 26.250 16.292 10.166 1.00 0.00 C ATOM 918 O ASP A 58 25.082 15.924 10.310 1.00 0.00 O ATOM 919 CB ASP A 58 28.083 14.907 11.151 1.00 0.00 C ATOM 920 CG ASP A 58 27.164 14.055 12.021 1.00 0.00 C ATOM 921 OD1 ASP A 58 27.086 12.862 11.775 1.00 0.00 O ATOM 922 OD2 ASP A 58 26.552 14.607 12.921 1.00 0.00 O ATOM 0 H ASP A 58 29.244 16.057 9.296 1.00 0.00 H new ATOM 0 HA ASP A 58 26.955 14.406 9.402 1.00 0.00 H new ATOM 0 HB2 ASP A 58 28.990 14.351 10.914 1.00 0.00 H new ATOM 0 HB3 ASP A 58 28.389 15.799 11.697 1.00 0.00 H new ATOM 927 N TYR A 59 26.639 17.560 10.253 1.00 0.00 N ATOM 928 CA TYR A 59 25.693 18.633 10.535 1.00 0.00 C ATOM 929 C TYR A 59 25.026 19.153 9.253 1.00 0.00 C ATOM 930 O TYR A 59 24.131 19.997 9.317 1.00 0.00 O ATOM 931 CB TYR A 59 26.430 19.779 11.226 1.00 0.00 C ATOM 932 CG TYR A 59 26.797 19.374 12.638 1.00 0.00 C ATOM 933 CD1 TYR A 59 28.084 18.901 12.920 1.00 0.00 C ATOM 934 CD2 TYR A 59 25.848 19.472 13.666 1.00 0.00 C ATOM 935 CE1 TYR A 59 28.425 18.527 14.228 1.00 0.00 C ATOM 936 CE2 TYR A 59 26.188 19.098 14.973 1.00 0.00 C ATOM 937 CZ TYR A 59 27.476 18.625 15.253 1.00 0.00 C ATOM 938 OH TYR A 59 27.811 18.255 16.541 1.00 0.00 O ATOM 0 H TYR A 59 27.603 17.869 10.132 1.00 0.00 H new ATOM 0 HA TYR A 59 24.910 18.237 11.182 1.00 0.00 H new ATOM 0 HB2 TYR A 59 27.329 20.036 10.666 1.00 0.00 H new ATOM 0 HB3 TYR A 59 25.801 20.669 11.245 1.00 0.00 H new ATOM 0 HD1 TYR A 59 28.815 18.824 12.129 1.00 0.00 H new ATOM 0 HD2 TYR A 59 24.854 19.836 13.450 1.00 0.00 H new ATOM 0 HE1 TYR A 59 29.419 18.164 14.445 1.00 0.00 H new ATOM 0 HE2 TYR A 59 25.457 19.175 15.764 1.00 0.00 H new ATOM 0 HH TYR A 59 27.039 18.386 17.130 1.00 0.00 H new ATOM 948 N ASN A 60 25.459 18.656 8.091 1.00 0.00 N ATOM 949 CA ASN A 60 24.881 19.098 6.818 1.00 0.00 C ATOM 950 C ASN A 60 23.580 18.360 6.543 1.00 0.00 C ATOM 951 O ASN A 60 22.615 18.948 6.062 1.00 0.00 O ATOM 952 CB ASN A 60 25.855 18.858 5.664 1.00 0.00 C ATOM 953 CG ASN A 60 25.247 19.364 4.358 1.00 0.00 C ATOM 954 OD1 ASN A 60 24.967 20.555 4.222 1.00 0.00 O ATOM 955 ND2 ASN A 60 25.023 18.525 3.382 1.00 0.00 N ATOM 0 H ASN A 60 26.197 17.957 8.004 1.00 0.00 H new ATOM 0 HA ASN A 60 24.682 20.167 6.894 1.00 0.00 H new ATOM 0 HB2 ASN A 60 26.797 19.370 5.859 1.00 0.00 H new ATOM 0 HB3 ASN A 60 26.081 17.795 5.582 1.00 0.00 H new ATOM 0 HD21 ASN A 60 24.616 18.857 2.507 1.00 0.00 H new ATOM 0 HD22 ASN A 60 25.255 17.538 3.494 1.00 0.00 H new ATOM 962 N ILE A 61 23.551 17.074 6.861 1.00 0.00 N ATOM 963 CA ILE A 61 22.335 16.288 6.646 1.00 0.00 C ATOM 964 C ILE A 61 21.204 16.870 7.490 1.00 0.00 C ATOM 965 O ILE A 61 20.113 17.152 6.988 1.00 0.00 O ATOM 966 CB ILE A 61 22.576 14.825 7.032 1.00 0.00 C ATOM 967 CG1 ILE A 61 23.617 14.222 6.088 1.00 0.00 C ATOM 968 CG2 ILE A 61 21.267 14.039 6.924 1.00 0.00 C ATOM 969 CD1 ILE A 61 24.080 12.872 6.636 1.00 0.00 C ATOM 0 H ILE A 61 24.335 16.557 7.260 1.00 0.00 H new ATOM 0 HA ILE A 61 22.061 16.329 5.592 1.00 0.00 H new ATOM 0 HB ILE A 61 22.938 14.774 8.059 1.00 0.00 H new ATOM 0 HG12 ILE A 61 23.191 14.096 5.093 1.00 0.00 H new ATOM 0 HG13 ILE A 61 24.467 14.897 5.988 1.00 0.00 H new ATOM 0 HG21 ILE A 61 21.443 12.999 7.199 1.00 0.00 H new ATOM 0 HG22 ILE A 61 20.526 14.472 7.596 1.00 0.00 H new ATOM 0 HG23 ILE A 61 20.898 14.085 5.899 1.00 0.00 H new ATOM 0 HD11 ILE A 61 24.822 12.442 5.964 1.00 0.00 H new ATOM 0 HD12 ILE A 61 24.522 13.012 7.622 1.00 0.00 H new ATOM 0 HD13 ILE A 61 23.226 12.199 6.713 1.00 0.00 H new ATOM 981 N GLN A 62 21.489 17.048 8.774 1.00 0.00 N ATOM 982 CA GLN A 62 20.512 17.599 9.702 1.00 0.00 C ATOM 983 C GLN A 62 20.271 19.081 9.399 1.00 0.00 C ATOM 984 O GLN A 62 20.284 19.916 10.306 1.00 0.00 O ATOM 985 CB GLN A 62 21.030 17.447 11.138 1.00 0.00 C ATOM 986 CG GLN A 62 21.349 15.975 11.421 1.00 0.00 C ATOM 987 CD GLN A 62 21.713 15.795 12.891 1.00 0.00 C ATOM 988 OE1 GLN A 62 21.875 16.777 13.616 1.00 0.00 O ATOM 989 NE2 GLN A 62 21.852 14.592 13.379 1.00 0.00 N ATOM 0 H GLN A 62 22.389 16.819 9.196 1.00 0.00 H new ATOM 0 HA GLN A 62 19.572 17.058 9.591 1.00 0.00 H new ATOM 0 HB2 GLN A 62 21.923 18.056 11.279 1.00 0.00 H new ATOM 0 HB3 GLN A 62 20.283 17.809 11.844 1.00 0.00 H new ATOM 0 HG2 GLN A 62 20.489 15.353 11.172 1.00 0.00 H new ATOM 0 HG3 GLN A 62 22.174 15.645 10.790 1.00 0.00 H new ATOM 0 HE21 GLN A 62 21.718 13.779 12.778 1.00 0.00 H new ATOM 0 HE22 GLN A 62 22.095 14.465 14.361 1.00 0.00 H new ATOM 998 N LYS A 63 20.046 19.406 8.120 1.00 0.00 N ATOM 999 CA LYS A 63 19.797 20.792 7.719 1.00 0.00 C ATOM 1000 C LYS A 63 18.383 21.241 8.112 1.00 0.00 C ATOM 1001 O LYS A 63 17.575 21.591 7.252 1.00 0.00 O ATOM 1002 CB LYS A 63 19.989 20.954 6.200 1.00 0.00 C ATOM 1003 CG LYS A 63 20.024 22.444 5.832 1.00 0.00 C ATOM 1004 CD LYS A 63 20.506 22.618 4.387 1.00 0.00 C ATOM 1005 CE LYS A 63 20.756 24.103 4.112 1.00 0.00 C ATOM 1006 NZ LYS A 63 21.251 24.277 2.717 1.00 0.00 N ATOM 0 H LYS A 63 20.032 18.734 7.353 1.00 0.00 H new ATOM 0 HA LYS A 63 20.516 21.422 8.243 1.00 0.00 H new ATOM 0 HB2 LYS A 63 20.916 20.472 5.889 1.00 0.00 H new ATOM 0 HB3 LYS A 63 19.177 20.458 5.667 1.00 0.00 H new ATOM 0 HG2 LYS A 63 19.031 22.879 5.947 1.00 0.00 H new ATOM 0 HG3 LYS A 63 20.687 22.979 6.512 1.00 0.00 H new ATOM 0 HD2 LYS A 63 21.421 22.048 4.225 1.00 0.00 H new ATOM 0 HD3 LYS A 63 19.761 22.228 3.694 1.00 0.00 H new ATOM 0 HE2 LYS A 63 19.836 24.670 4.255 1.00 0.00 H new ATOM 0 HE3 LYS A 63 21.486 24.496 4.819 1.00 0.00 H new ATOM 0 HZ1 LYS A 63 21.420 25.286 2.532 1.00 0.00 H new ATOM 0 HZ2 LYS A 63 22.139 23.749 2.595 1.00 0.00 H new ATOM 0 HZ3 LYS A 63 20.540 23.917 2.049 1.00 0.00 H new ATOM 1020 N GLU A 64 18.098 21.239 9.409 1.00 0.00 N ATOM 1021 CA GLU A 64 16.782 21.657 9.890 1.00 0.00 C ATOM 1022 C GLU A 64 16.472 23.069 9.394 1.00 0.00 C ATOM 1023 O GLU A 64 15.359 23.356 8.952 1.00 0.00 O ATOM 1024 CB GLU A 64 16.757 21.644 11.422 1.00 0.00 C ATOM 1025 CG GLU A 64 16.874 20.204 11.931 1.00 0.00 C ATOM 1026 CD GLU A 64 16.676 20.169 13.444 1.00 0.00 C ATOM 1027 OE1 GLU A 64 16.537 21.231 14.030 1.00 0.00 O ATOM 1028 OE2 GLU A 64 16.668 19.080 13.996 1.00 0.00 O ATOM 0 H GLU A 64 18.750 20.957 10.141 1.00 0.00 H new ATOM 0 HA GLU A 64 16.032 20.964 9.509 1.00 0.00 H new ATOM 0 HB2 GLU A 64 17.578 22.245 11.813 1.00 0.00 H new ATOM 0 HB3 GLU A 64 15.832 22.093 11.784 1.00 0.00 H new ATOM 0 HG2 GLU A 64 16.129 19.575 11.444 1.00 0.00 H new ATOM 0 HG3 GLU A 64 17.852 19.797 11.674 1.00 0.00 H new HETATM 1035 N SEP A 65 17.471 23.944 9.472 1.00 0.00 N HETATM 1036 CA SEP A 65 17.336 25.335 9.029 1.00 0.00 C HETATM 1037 CB SEP A 65 17.367 26.276 10.228 1.00 0.00 C HETATM 1038 OG SEP A 65 16.828 27.534 9.850 1.00 0.00 O HETATM 1039 C SEP A 65 18.473 25.672 8.079 1.00 0.00 C HETATM 1040 O SEP A 65 18.946 24.810 7.339 1.00 0.00 O HETATM 1041 P SEP A 65 16.458 28.559 10.932 1.00 0.00 P HETATM 1042 O1P SEP A 65 14.893 28.531 11.013 1.00 0.00 O HETATM 1043 O2P SEP A 65 17.029 29.926 10.422 1.00 0.00 O HETATM 1044 O3P SEP A 65 17.155 28.045 12.237 1.00 0.00 O HETATM 0 HB3 SEP A 65 16.792 25.853 11.052 1.00 0.00 H new HETATM 0 HB2 SEP A 65 18.390 26.398 10.583 1.00 0.00 H new HETATM 0 HA SEP A 65 16.382 25.457 8.515 1.00 0.00 H new ATOM 1049 N THR A 66 18.934 26.925 8.107 1.00 0.00 N ATOM 1050 CA THR A 66 20.045 27.343 7.251 1.00 0.00 C ATOM 1051 C THR A 66 21.330 27.334 8.073 1.00 0.00 C ATOM 1052 O THR A 66 21.279 27.135 9.288 1.00 0.00 O ATOM 1053 CB THR A 66 19.786 28.751 6.703 1.00 0.00 C ATOM 1054 OG1 THR A 66 18.466 28.819 6.177 1.00 0.00 O ATOM 1055 CG2 THR A 66 20.797 29.081 5.598 1.00 0.00 C ATOM 0 H THR A 66 18.559 27.660 8.707 1.00 0.00 H new ATOM 0 HA THR A 66 20.139 26.655 6.411 1.00 0.00 H new ATOM 0 HB THR A 66 19.896 29.474 7.511 1.00 0.00 H new ATOM 0 HG1 THR A 66 18.299 29.719 5.828 1.00 0.00 H new ATOM 0 HG21 THR A 66 20.604 30.083 5.216 1.00 0.00 H new ATOM 0 HG22 THR A 66 21.808 29.036 6.004 1.00 0.00 H new ATOM 0 HG23 THR A 66 20.699 28.359 4.788 1.00 0.00 H new ATOM 1063 N LEU A 67 22.483 27.532 7.431 1.00 0.00 N ATOM 1064 CA LEU A 67 23.753 27.513 8.138 1.00 0.00 C ATOM 1065 C LEU A 67 23.988 28.828 8.873 1.00 0.00 C ATOM 1066 O LEU A 67 24.414 29.829 8.289 1.00 0.00 O ATOM 1067 CB LEU A 67 24.883 27.295 7.120 1.00 0.00 C ATOM 1068 CG LEU A 67 24.518 26.154 6.160 1.00 0.00 C ATOM 1069 CD1 LEU A 67 25.639 25.958 5.132 1.00 0.00 C ATOM 1070 CD2 LEU A 67 24.328 24.858 6.951 1.00 0.00 C ATOM 0 H LEU A 67 22.558 27.706 6.429 1.00 0.00 H new ATOM 0 HA LEU A 67 23.735 26.707 8.871 1.00 0.00 H new ATOM 0 HB2 LEU A 67 25.057 28.212 6.557 1.00 0.00 H new ATOM 0 HB3 LEU A 67 25.811 27.059 7.641 1.00 0.00 H new ATOM 0 HG LEU A 67 23.593 26.408 5.643 1.00 0.00 H new ATOM 0 HD11 LEU A 67 25.373 25.147 4.454 1.00 0.00 H new ATOM 0 HD12 LEU A 67 25.775 26.877 4.562 1.00 0.00 H new ATOM 0 HD13 LEU A 67 26.567 25.710 5.648 1.00 0.00 H new ATOM 0 HD21 LEU A 67 24.069 24.049 6.268 1.00 0.00 H new ATOM 0 HD22 LEU A 67 25.253 24.611 7.472 1.00 0.00 H new ATOM 0 HD23 LEU A 67 23.526 24.990 7.678 1.00 0.00 H new ATOM 1082 N HIS A 68 23.733 28.791 10.173 1.00 0.00 N ATOM 1083 CA HIS A 68 23.919 29.949 11.037 1.00 0.00 C ATOM 1084 C HIS A 68 24.445 29.479 12.382 1.00 0.00 C ATOM 1085 O HIS A 68 23.855 28.613 13.028 1.00 0.00 O ATOM 1086 CB HIS A 68 22.593 30.687 11.224 1.00 0.00 C ATOM 1087 CG HIS A 68 21.549 29.721 11.709 1.00 0.00 C ATOM 1088 ND1 HIS A 68 21.498 29.290 13.025 1.00 0.00 N ATOM 1089 CD2 HIS A 68 20.511 29.092 11.066 1.00 0.00 C ATOM 1090 CE1 HIS A 68 20.461 28.440 13.132 1.00 0.00 C ATOM 1091 NE2 HIS A 68 19.825 28.283 11.968 1.00 0.00 N ATOM 0 H HIS A 68 23.392 27.961 10.658 1.00 0.00 H new ATOM 0 HA HIS A 68 24.633 30.634 10.580 1.00 0.00 H new ATOM 0 HB2 HIS A 68 22.714 31.499 11.941 1.00 0.00 H new ATOM 0 HB3 HIS A 68 22.279 31.137 10.282 1.00 0.00 H new ATOM 0 HD1 HIS A 68 22.131 29.567 13.775 1.00 0.00 H new ATOM 0 HD2 HIS A 68 20.265 29.207 10.021 1.00 0.00 H new ATOM 0 HE1 HIS A 68 20.177 27.944 14.048 1.00 0.00 H new ATOM 0 HE2 HIS A 68 19.012 27.697 11.780 1.00 0.00 H new ATOM 1100 N LEU A 69 25.573 30.045 12.793 1.00 0.00 N ATOM 1101 CA LEU A 69 26.206 29.680 14.055 1.00 0.00 C ATOM 1102 C LEU A 69 26.059 30.804 15.071 1.00 0.00 C ATOM 1103 O LEU A 69 26.328 31.965 14.766 1.00 0.00 O ATOM 1104 CB LEU A 69 27.687 29.391 13.783 1.00 0.00 C ATOM 1105 CG LEU A 69 28.455 29.191 15.096 1.00 0.00 C ATOM 1106 CD1 LEU A 69 27.780 28.097 15.933 1.00 0.00 C ATOM 1107 CD2 LEU A 69 29.897 28.776 14.776 1.00 0.00 C ATOM 0 H LEU A 69 26.071 30.763 12.267 1.00 0.00 H new ATOM 0 HA LEU A 69 25.724 28.795 14.470 1.00 0.00 H new ATOM 0 HB2 LEU A 69 27.780 28.499 13.163 1.00 0.00 H new ATOM 0 HB3 LEU A 69 28.126 30.216 13.222 1.00 0.00 H new ATOM 0 HG LEU A 69 28.456 30.122 15.662 1.00 0.00 H new ATOM 0 HD11 LEU A 69 28.330 27.960 16.864 1.00 0.00 H new ATOM 0 HD12 LEU A 69 26.755 28.391 16.157 1.00 0.00 H new ATOM 0 HD13 LEU A 69 27.775 27.162 15.373 1.00 0.00 H new ATOM 0 HD21 LEU A 69 30.449 28.632 15.705 1.00 0.00 H new ATOM 0 HD22 LEU A 69 29.890 27.845 14.210 1.00 0.00 H new ATOM 0 HD23 LEU A 69 30.378 29.556 14.186 1.00 0.00 H new ATOM 1119 N VAL A 70 25.661 30.447 16.288 1.00 0.00 N ATOM 1120 CA VAL A 70 25.513 31.427 17.359 1.00 0.00 C ATOM 1121 C VAL A 70 26.694 31.321 18.312 1.00 0.00 C ATOM 1122 O VAL A 70 26.999 30.240 18.831 1.00 0.00 O ATOM 1123 CB VAL A 70 24.201 31.192 18.112 1.00 0.00 C ATOM 1124 CG1 VAL A 70 24.151 32.074 19.363 1.00 0.00 C ATOM 1125 CG2 VAL A 70 23.026 31.546 17.198 1.00 0.00 C ATOM 0 H VAL A 70 25.436 29.489 16.557 1.00 0.00 H new ATOM 0 HA VAL A 70 25.490 32.428 16.929 1.00 0.00 H new ATOM 0 HB VAL A 70 24.139 30.145 18.409 1.00 0.00 H new ATOM 0 HG11 VAL A 70 23.214 31.901 19.893 1.00 0.00 H new ATOM 0 HG12 VAL A 70 24.988 31.827 20.016 1.00 0.00 H new ATOM 0 HG13 VAL A 70 24.215 33.122 19.072 1.00 0.00 H new ATOM 0 HG21 VAL A 70 22.089 31.380 17.729 1.00 0.00 H new ATOM 0 HG22 VAL A 70 23.096 32.593 16.904 1.00 0.00 H new ATOM 0 HG23 VAL A 70 23.055 30.917 16.308 1.00 0.00 H new ATOM 1135 N LEU A 71 27.359 32.453 18.537 1.00 0.00 N ATOM 1136 CA LEU A 71 28.516 32.493 19.426 1.00 0.00 C ATOM 1137 C LEU A 71 28.104 32.893 20.839 1.00 0.00 C ATOM 1138 O LEU A 71 27.635 34.008 21.075 1.00 0.00 O ATOM 1139 CB LEU A 71 29.557 33.484 18.894 1.00 0.00 C ATOM 1140 CG LEU A 71 30.908 33.247 19.594 1.00 0.00 C ATOM 1141 CD1 LEU A 71 31.597 31.986 19.035 1.00 0.00 C ATOM 1142 CD2 LEU A 71 31.814 34.463 19.375 1.00 0.00 C ATOM 0 H LEU A 71 27.117 33.351 18.117 1.00 0.00 H new ATOM 0 HA LEU A 71 28.951 31.494 19.460 1.00 0.00 H new ATOM 0 HB2 LEU A 71 29.669 33.364 17.816 1.00 0.00 H new ATOM 0 HB3 LEU A 71 29.221 34.506 19.068 1.00 0.00 H new ATOM 0 HG LEU A 71 30.729 33.103 20.660 1.00 0.00 H new ATOM 0 HD11 LEU A 71 32.550 31.837 19.543 1.00 0.00 H new ATOM 0 HD12 LEU A 71 30.958 31.119 19.200 1.00 0.00 H new ATOM 0 HD13 LEU A 71 31.771 32.110 17.966 1.00 0.00 H new ATOM 0 HD21 LEU A 71 32.771 34.297 19.870 1.00 0.00 H new ATOM 0 HD22 LEU A 71 31.978 34.607 18.307 1.00 0.00 H new ATOM 0 HD23 LEU A 71 31.339 35.351 19.792 1.00 0.00 H new ATOM 1154 N ARG A 72 28.305 31.974 21.775 1.00 0.00 N ATOM 1155 CA ARG A 72 27.981 32.213 23.180 1.00 0.00 C ATOM 1156 C ARG A 72 29.258 32.548 23.945 1.00 0.00 C ATOM 1157 O ARG A 72 30.314 31.982 23.671 1.00 0.00 O ATOM 1158 CB ARG A 72 27.333 30.957 23.784 1.00 0.00 C ATOM 1159 CG ARG A 72 25.851 30.851 23.371 1.00 0.00 C ATOM 1160 CD ARG A 72 25.090 29.983 24.380 1.00 0.00 C ATOM 1161 NE ARG A 72 24.917 30.709 25.634 1.00 0.00 N ATOM 1162 CZ ARG A 72 23.969 31.630 25.767 1.00 0.00 C ATOM 1163 NH1 ARG A 72 23.829 32.265 26.900 1.00 0.00 N ATOM 1164 NH2 ARG A 72 23.179 31.904 24.765 1.00 0.00 N ATOM 0 H ARG A 72 28.693 31.050 21.587 1.00 0.00 H new ATOM 0 HA ARG A 72 27.283 33.047 23.253 1.00 0.00 H new ATOM 0 HB2 ARG A 72 27.872 30.069 23.452 1.00 0.00 H new ATOM 0 HB3 ARG A 72 27.411 30.989 24.871 1.00 0.00 H new ATOM 0 HG2 ARG A 72 25.405 31.845 23.324 1.00 0.00 H new ATOM 0 HG3 ARG A 72 25.772 30.419 22.374 1.00 0.00 H new ATOM 0 HD2 ARG A 72 24.117 29.707 23.973 1.00 0.00 H new ATOM 0 HD3 ARG A 72 25.635 29.056 24.559 1.00 0.00 H new ATOM 0 HE ARG A 72 25.534 30.506 26.421 1.00 0.00 H new ATOM 0 HH11 ARG A 72 24.448 32.054 27.683 1.00 0.00 H new ATOM 0 HH12 ARG A 72 23.101 32.972 27.002 1.00 0.00 H new ATOM 0 HH21 ARG A 72 23.289 31.411 23.879 1.00 0.00 H new ATOM 0 HH22 ARG A 72 22.451 32.611 24.868 1.00 0.00 H new ATOM 1178 N LEU A 73 29.158 33.466 24.907 1.00 0.00 N ATOM 1179 CA LEU A 73 30.322 33.867 25.713 1.00 0.00 C ATOM 1180 C LEU A 73 30.125 33.449 27.168 1.00 0.00 C ATOM 1181 O LEU A 73 29.065 33.679 27.752 1.00 0.00 O ATOM 1182 CB LEU A 73 30.526 35.395 25.627 1.00 0.00 C ATOM 1183 CG LEU A 73 31.367 35.750 24.389 1.00 0.00 C ATOM 1184 CD1 LEU A 73 30.642 35.309 23.106 1.00 0.00 C ATOM 1185 CD2 LEU A 73 31.601 37.263 24.352 1.00 0.00 C ATOM 0 H LEU A 73 28.291 33.946 25.150 1.00 0.00 H new ATOM 0 HA LEU A 73 31.208 33.368 25.320 1.00 0.00 H new ATOM 0 HB2 LEU A 73 29.559 35.896 25.575 1.00 0.00 H new ATOM 0 HB3 LEU A 73 31.023 35.754 26.528 1.00 0.00 H new ATOM 0 HG LEU A 73 32.323 35.230 24.448 1.00 0.00 H new ATOM 0 HD11 LEU A 73 31.249 35.567 22.238 1.00 0.00 H new ATOM 0 HD12 LEU A 73 30.483 34.231 23.130 1.00 0.00 H new ATOM 0 HD13 LEU A 73 29.680 35.816 23.039 1.00 0.00 H new ATOM 0 HD21 LEU A 73 32.197 37.518 23.476 1.00 0.00 H new ATOM 0 HD22 LEU A 73 30.642 37.778 24.301 1.00 0.00 H new ATOM 0 HD23 LEU A 73 32.131 37.571 25.253 1.00 0.00 H new ATOM 1197 N ARG A 74 31.151 32.829 27.748 1.00 0.00 N ATOM 1198 CA ARG A 74 31.081 32.381 29.132 1.00 0.00 C ATOM 1199 C ARG A 74 30.901 33.571 30.069 1.00 0.00 C ATOM 1200 O ARG A 74 30.205 33.477 31.080 1.00 0.00 O ATOM 1201 CB ARG A 74 32.363 31.627 29.501 1.00 0.00 C ATOM 1202 CG ARG A 74 32.167 30.902 30.834 1.00 0.00 C ATOM 1203 CD ARG A 74 33.500 30.314 31.300 1.00 0.00 C ATOM 1204 NE ARG A 74 33.313 29.553 32.531 1.00 0.00 N ATOM 1205 CZ ARG A 74 33.178 30.164 33.703 1.00 0.00 C ATOM 1206 NH1 ARG A 74 33.005 29.461 34.789 1.00 0.00 N ATOM 1207 NH2 ARG A 74 33.223 31.466 33.770 1.00 0.00 N ATOM 0 H ARG A 74 32.035 32.627 27.281 1.00 0.00 H new ATOM 0 HA ARG A 74 30.224 31.715 29.238 1.00 0.00 H new ATOM 0 HB2 ARG A 74 32.613 30.910 28.719 1.00 0.00 H new ATOM 0 HB3 ARG A 74 33.198 32.323 29.574 1.00 0.00 H new ATOM 0 HG2 ARG A 74 31.782 31.594 31.583 1.00 0.00 H new ATOM 0 HG3 ARG A 74 31.427 30.109 30.723 1.00 0.00 H new ATOM 0 HD2 ARG A 74 33.912 29.669 30.524 1.00 0.00 H new ATOM 0 HD3 ARG A 74 34.221 31.115 31.465 1.00 0.00 H new ATOM 0 HE ARG A 74 33.285 28.534 32.491 1.00 0.00 H new ATOM 0 HH11 ARG A 74 32.973 28.443 34.738 1.00 0.00 H new ATOM 0 HH12 ARG A 74 32.901 29.930 35.689 1.00 0.00 H new ATOM 0 HH21 ARG A 74 33.362 32.016 32.922 1.00 0.00 H new ATOM 0 HH22 ARG A 74 33.119 31.934 34.670 1.00 0.00 H new ATOM 1221 N GLY A 75 31.535 34.689 29.727 1.00 0.00 N ATOM 1222 CA GLY A 75 31.438 35.892 30.547 1.00 0.00 C ATOM 1223 C GLY A 75 30.018 36.443 30.540 1.00 0.00 C ATOM 1224 O GLY A 75 29.222 36.125 29.655 1.00 0.00 O ATOM 0 H GLY A 75 32.117 34.787 28.895 1.00 0.00 H new ATOM 0 HA2 GLY A 75 31.739 35.665 31.570 1.00 0.00 H new ATOM 0 HA3 GLY A 75 32.128 36.649 30.172 1.00 0.00 H new ATOM 1228 N GLY A 76 29.704 37.271 31.532 1.00 0.00 N ATOM 1229 CA GLY A 76 28.374 37.860 31.630 1.00 0.00 C ATOM 1230 C GLY A 76 27.369 36.850 32.172 1.00 0.00 C ATOM 1231 O GLY A 76 26.792 36.131 31.373 1.00 0.00 O ATOM 1232 OXT GLY A 76 27.191 36.810 33.379 1.00 0.00 O ATOM 0 H GLY A 76 30.347 37.547 32.274 1.00 0.00 H new ATOM 0 HA2 GLY A 76 28.406 38.733 32.282 1.00 0.00 H new ATOM 0 HA3 GLY A 76 28.053 38.207 30.648 1.00 0.00 H new TER 1236 GLY A 76