USER MOD reduce.3.24.130724 H: found=0, std=0, add=628, rem=0, adj=15 USER MOD reduce.3.24.130724 removed 628 hydrogens (10 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 66 TPO H2 : A 66 TPO N : A 65 SEP C :(H bumps) USER MOD Set 1.1: A 55 THR OG1 : rot 119:sc= 0.0466 USER MOD Set 1.2: A 57 SER OG : rot 180:sc= 0.048 USER MOD Single : A 1 MET CE :methyl 180:sc= -0.0221 (180deg=-0.0221) USER MOD Single : A 1 MET N :NH3+ -111:sc= -0.298 (180deg=-0.75!) 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 7 THR OG1 : rot -81:sc= 1.32 USER MOD Single : A 9 THR OG1 : rot 180:sc= 0 USER MOD Single : A 11 LYS NZ :NH3+ -162:sc= -0.0783 (180deg=-0.484) USER MOD Single : A 12 THR OG1 : rot 180:sc= 0 USER MOD Single : A 14 THR OG1 : rot 180:sc= 0 USER MOD Single : A 20 SER OG : rot 13:sc= 0.973 USER MOD Single : A 22 THR OG1 : rot -160:sc= -0.68 USER MOD Single : A 25 ASN : amide:sc= -1.02 K(o=-1,f=-3.2!) USER MOD Single : A 27 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 29 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 31 GLN : amide:sc= -0.0507 K(o=-0.051,f=-2!) USER MOD Single : A 33 LYS NZ :NH3+ -168:sc=-0.00793 (180deg=-0.214) USER MOD Single : A 40 GLN : amide:sc=-0.00575 X(o=-0.0058,f=-0.003) USER MOD Single : A 41 GLN : amide:sc= -4.9 K(o=-4.9,f=-8.1!) USER MOD Single : A 48 LYS NZ :NH3+ -171:sc= 0 (180deg=-0.0312) USER MOD Single : A 49 GLN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 59 TYR OH : rot 70:sc= 0 USER MOD Single : A 60 ASN : amide:sc= -0.131 K(o=-0.13,f=-1.4!) USER MOD Single : A 62 GLN : amide:sc= -1.21 X(o=-1.2,f=-1.1) USER MOD Single : A 63 LYS NZ :NH3+ 163:sc= -0.0497 (180deg=-0.416) USER MOD Single : A 68 HIS : no HE2:sc= 0.238 K(o=0.24,f=-4.3!) USER MOD ----------------------------------------------------------------- ATOM 1 N MET A 1 25.818 24.411 3.179 1.00 0.00 N ATOM 2 CA MET A 1 25.067 25.694 3.074 1.00 0.00 C ATOM 3 C MET A 1 25.958 26.846 3.545 1.00 0.00 C ATOM 4 O MET A 1 27.021 26.637 4.096 1.00 0.00 O ATOM 5 CB MET A 1 23.814 25.624 3.951 1.00 0.00 C ATOM 6 CG MET A 1 22.895 24.514 3.437 1.00 0.00 C ATOM 7 SD MET A 1 21.421 24.414 4.484 1.00 0.00 S ATOM 8 CE MET A 1 22.099 23.290 5.731 1.00 0.00 C ATOM 0 H1 MET A 1 26.022 24.049 2.226 1.00 0.00 H new ATOM 0 H2 MET A 1 26.711 24.572 3.687 1.00 0.00 H new ATOM 0 H3 MET A 1 25.245 23.715 3.698 1.00 0.00 H new ATOM 0 HA MET A 1 24.775 25.862 2.037 1.00 0.00 H new ATOM 0 HB2 MET A 1 24.092 25.430 4.987 1.00 0.00 H new ATOM 0 HB3 MET A 1 23.291 26.580 3.935 1.00 0.00 H new ATOM 0 HG2 MET A 1 22.608 24.715 2.405 1.00 0.00 H new ATOM 0 HG3 MET A 1 23.422 23.560 3.441 1.00 0.00 H new ATOM 0 HE1 MET A 1 21.342 23.089 6.489 1.00 0.00 H new ATOM 0 HE2 MET A 1 22.394 22.354 5.256 1.00 0.00 H new ATOM 0 HE3 MET A 1 22.970 23.749 6.200 1.00 0.00 H new ATOM 20 N GLN A 2 25.532 28.063 3.328 1.00 0.00 N ATOM 21 CA GLN A 2 26.350 29.240 3.756 1.00 0.00 C ATOM 22 C GLN A 2 25.820 29.779 5.086 1.00 0.00 C ATOM 23 O GLN A 2 24.628 29.890 5.291 1.00 0.00 O ATOM 24 CB GLN A 2 26.245 30.341 2.697 1.00 0.00 C ATOM 25 CG GLN A 2 26.665 29.785 1.336 1.00 0.00 C ATOM 26 CD GLN A 2 26.621 30.905 0.294 1.00 0.00 C ATOM 27 OE1 GLN A 2 27.432 31.809 0.322 1.00 0.00 O ATOM 28 NE2 GLN A 2 25.698 30.885 -0.628 1.00 0.00 N ATOM 0 H GLN A 2 24.650 28.295 2.871 1.00 0.00 H new ATOM 0 HA GLN A 2 27.389 28.933 3.873 1.00 0.00 H new ATOM 0 HB2 GLN A 2 25.223 30.716 2.648 1.00 0.00 H new ATOM 0 HB3 GLN A 2 26.881 31.183 2.969 1.00 0.00 H new ATOM 0 HG2 GLN A 2 27.670 29.368 1.396 1.00 0.00 H new ATOM 0 HG3 GLN A 2 26.000 28.973 1.042 1.00 0.00 H new ATOM 0 HE21 GLN A 2 25.017 30.126 -0.652 1.00 0.00 H new ATOM 0 HE22 GLN A 2 25.657 31.628 -1.325 1.00 0.00 H new ATOM 37 N ILE A 3 26.703 30.133 5.986 1.00 0.00 N ATOM 38 CA ILE A 3 26.275 30.688 7.308 1.00 0.00 C ATOM 39 C ILE A 3 27.100 31.944 7.593 1.00 0.00 C ATOM 40 O ILE A 3 28.158 32.134 7.023 1.00 0.00 O ATOM 41 CB ILE A 3 26.514 29.651 8.411 1.00 0.00 C ATOM 42 CG1 ILE A 3 27.950 29.127 8.325 1.00 0.00 C ATOM 43 CG2 ILE A 3 25.538 28.487 8.237 1.00 0.00 C ATOM 44 CD1 ILE A 3 28.257 28.277 9.560 1.00 0.00 C ATOM 0 H ILE A 3 27.713 30.061 5.860 1.00 0.00 H new ATOM 0 HA ILE A 3 25.213 30.933 7.284 1.00 0.00 H new ATOM 0 HB ILE A 3 26.357 30.118 9.383 1.00 0.00 H new ATOM 0 HG12 ILE A 3 28.078 28.533 7.420 1.00 0.00 H new ATOM 0 HG13 ILE A 3 28.650 29.960 8.261 1.00 0.00 H new ATOM 0 HG21 ILE A 3 25.708 27.749 9.021 1.00 0.00 H new ATOM 0 HG22 ILE A 3 24.515 28.857 8.302 1.00 0.00 H new ATOM 0 HG23 ILE A 3 25.695 28.023 7.263 1.00 0.00 H new ATOM 0 HD11 ILE A 3 29.279 27.903 9.500 1.00 0.00 H new ATOM 0 HD12 ILE A 3 28.145 28.886 10.457 1.00 0.00 H new ATOM 0 HD13 ILE A 3 27.565 27.436 9.604 1.00 0.00 H new ATOM 56 N PHE A 4 26.625 32.807 8.459 1.00 0.00 N ATOM 57 CA PHE A 4 27.383 34.063 8.776 1.00 0.00 C ATOM 58 C PHE A 4 27.699 34.106 10.271 1.00 0.00 C ATOM 59 O PHE A 4 26.870 33.782 11.093 1.00 0.00 O ATOM 60 CB PHE A 4 26.527 35.278 8.406 1.00 0.00 C ATOM 61 CG PHE A 4 26.281 35.287 6.916 1.00 0.00 C ATOM 62 CD1 PHE A 4 25.231 34.536 6.375 1.00 0.00 C ATOM 63 CD2 PHE A 4 27.105 36.045 6.075 1.00 0.00 C ATOM 64 CE1 PHE A 4 25.002 34.546 4.994 1.00 0.00 C ATOM 65 CE2 PHE A 4 26.876 36.056 4.695 1.00 0.00 C ATOM 66 CZ PHE A 4 25.825 35.305 4.153 1.00 0.00 C ATOM 0 H PHE A 4 25.744 32.697 8.962 1.00 0.00 H new ATOM 0 HA PHE A 4 28.312 34.080 8.207 1.00 0.00 H new ATOM 0 HB2 PHE A 4 25.578 35.244 8.942 1.00 0.00 H new ATOM 0 HB3 PHE A 4 27.031 36.196 8.708 1.00 0.00 H new ATOM 0 HD1 PHE A 4 24.597 33.949 7.023 1.00 0.00 H new ATOM 0 HD2 PHE A 4 27.918 36.621 6.492 1.00 0.00 H new ATOM 0 HE1 PHE A 4 24.190 33.968 4.577 1.00 0.00 H new ATOM 0 HE2 PHE A 4 27.510 36.644 4.047 1.00 0.00 H new ATOM 0 HZ PHE A 4 25.650 35.311 3.087 1.00 0.00 H new ATOM 76 N VAL A 5 28.891 34.510 10.636 1.00 0.00 N ATOM 77 CA VAL A 5 29.251 34.581 12.085 1.00 0.00 C ATOM 78 C VAL A 5 29.214 36.043 12.533 1.00 0.00 C ATOM 79 O VAL A 5 29.999 36.857 12.090 1.00 0.00 O ATOM 80 CB VAL A 5 30.656 34.014 12.287 1.00 0.00 C ATOM 81 CG1 VAL A 5 30.995 34.009 13.779 1.00 0.00 C ATOM 82 CG2 VAL A 5 30.707 32.581 11.751 1.00 0.00 C ATOM 0 H VAL A 5 29.630 34.794 9.993 1.00 0.00 H new ATOM 0 HA VAL A 5 28.543 33.999 12.675 1.00 0.00 H new ATOM 0 HB VAL A 5 31.377 34.631 11.752 1.00 0.00 H new ATOM 0 HG11 VAL A 5 31.997 33.605 13.923 1.00 0.00 H new ATOM 0 HG12 VAL A 5 30.956 35.028 14.164 1.00 0.00 H new ATOM 0 HG13 VAL A 5 30.274 33.391 14.314 1.00 0.00 H new ATOM 0 HG21 VAL A 5 31.708 32.174 11.894 1.00 0.00 H new ATOM 0 HG22 VAL A 5 29.985 31.966 12.288 1.00 0.00 H new ATOM 0 HG23 VAL A 5 30.464 32.581 10.688 1.00 0.00 H new ATOM 92 N LYS A 6 28.300 36.386 13.403 1.00 0.00 N ATOM 93 CA LYS A 6 28.206 37.797 13.878 1.00 0.00 C ATOM 94 C LYS A 6 29.079 37.966 15.124 1.00 0.00 C ATOM 95 O LYS A 6 28.828 37.370 16.156 1.00 0.00 O ATOM 96 CB LYS A 6 26.748 38.112 14.226 1.00 0.00 C ATOM 97 CG LYS A 6 26.620 39.575 14.658 1.00 0.00 C ATOM 98 CD LYS A 6 25.159 39.878 14.999 1.00 0.00 C ATOM 99 CE LYS A 6 25.032 41.329 15.464 1.00 0.00 C ATOM 100 NZ LYS A 6 23.615 41.610 15.831 1.00 0.00 N ATOM 0 H LYS A 6 27.614 35.748 13.805 1.00 0.00 H new ATOM 0 HA LYS A 6 28.550 38.477 13.098 1.00 0.00 H new ATOM 0 HB2 LYS A 6 26.110 37.921 13.363 1.00 0.00 H new ATOM 0 HB3 LYS A 6 26.406 37.456 15.027 1.00 0.00 H new ATOM 0 HG2 LYS A 6 27.254 39.767 15.523 1.00 0.00 H new ATOM 0 HG3 LYS A 6 26.963 40.233 13.859 1.00 0.00 H new ATOM 0 HD2 LYS A 6 24.528 39.709 14.126 1.00 0.00 H new ATOM 0 HD3 LYS A 6 24.810 39.203 15.780 1.00 0.00 H new ATOM 0 HE2 LYS A 6 25.683 41.506 16.320 1.00 0.00 H new ATOM 0 HE3 LYS A 6 25.355 42.005 14.673 1.00 0.00 H new ATOM 0 HZ1 LYS A 6 23.527 42.597 16.147 1.00 0.00 H new ATOM 0 HZ2 LYS A 6 23.005 41.457 15.003 1.00 0.00 H new ATOM 0 HZ3 LYS A 6 23.322 40.973 16.599 1.00 0.00 H new ATOM 114 N THR A 7 30.112 38.767 15.036 1.00 0.00 N ATOM 115 CA THR A 7 31.010 38.972 16.212 1.00 0.00 C ATOM 116 C THR A 7 30.560 40.213 16.989 1.00 0.00 C ATOM 117 O THR A 7 29.888 41.078 16.462 1.00 0.00 O ATOM 118 CB THR A 7 32.444 39.170 15.719 1.00 0.00 C ATOM 119 OG1 THR A 7 32.491 40.291 14.848 1.00 0.00 O ATOM 120 CG2 THR A 7 32.902 37.918 14.970 1.00 0.00 C ATOM 0 H THR A 7 30.372 39.288 14.199 1.00 0.00 H new ATOM 0 HA THR A 7 30.964 38.101 16.866 1.00 0.00 H new ATOM 0 HB THR A 7 33.103 39.343 16.570 1.00 0.00 H new ATOM 0 HG1 THR A 7 32.186 40.025 13.955 1.00 0.00 H new ATOM 0 HG21 THR A 7 33.924 38.058 14.618 1.00 0.00 H new ATOM 0 HG22 THR A 7 32.863 37.059 15.640 1.00 0.00 H new ATOM 0 HG23 THR A 7 32.246 37.743 14.118 1.00 0.00 H new ATOM 128 N LEU A 8 30.924 40.306 18.240 1.00 0.00 N ATOM 129 CA LEU A 8 30.514 41.489 19.052 1.00 0.00 C ATOM 130 C LEU A 8 31.243 42.738 18.553 1.00 0.00 C ATOM 131 O LEU A 8 30.855 43.851 18.850 1.00 0.00 O ATOM 132 CB LEU A 8 30.875 41.249 20.521 1.00 0.00 C ATOM 133 CG LEU A 8 30.431 39.845 20.941 1.00 0.00 C ATOM 134 CD1 LEU A 8 30.720 39.647 22.432 1.00 0.00 C ATOM 135 CD2 LEU A 8 28.928 39.678 20.685 1.00 0.00 C ATOM 0 H LEU A 8 31.487 39.614 18.735 1.00 0.00 H new ATOM 0 HA LEU A 8 29.438 41.634 18.955 1.00 0.00 H new ATOM 0 HB2 LEU A 8 31.950 41.358 20.663 1.00 0.00 H new ATOM 0 HB3 LEU A 8 30.392 41.997 21.151 1.00 0.00 H new ATOM 0 HG LEU A 8 30.979 39.103 20.359 1.00 0.00 H new ATOM 0 HD11 LEU A 8 30.405 38.648 22.734 1.00 0.00 H new ATOM 0 HD12 LEU A 8 31.789 39.761 22.614 1.00 0.00 H new ATOM 0 HD13 LEU A 8 30.172 40.391 23.011 1.00 0.00 H new ATOM 0 HD21 LEU A 8 28.617 38.678 20.985 1.00 0.00 H new ATOM 0 HD22 LEU A 8 28.376 40.419 21.263 1.00 0.00 H new ATOM 0 HD23 LEU A 8 28.722 39.819 19.624 1.00 0.00 H new ATOM 147 N THR A 9 32.295 42.568 17.799 1.00 0.00 N ATOM 148 CA THR A 9 33.042 43.755 17.289 1.00 0.00 C ATOM 149 C THR A 9 32.332 44.311 16.054 1.00 0.00 C ATOM 150 O THR A 9 32.642 45.385 15.579 1.00 0.00 O ATOM 151 CB THR A 9 34.469 43.343 16.916 1.00 0.00 C ATOM 152 OG1 THR A 9 35.114 42.796 18.058 1.00 0.00 O ATOM 153 CG2 THR A 9 35.244 44.569 16.428 1.00 0.00 C ATOM 0 H THR A 9 32.669 41.663 17.515 1.00 0.00 H new ATOM 0 HA THR A 9 33.078 44.521 18.064 1.00 0.00 H new ATOM 0 HB THR A 9 34.438 42.596 16.122 1.00 0.00 H new ATOM 0 HG1 THR A 9 36.027 42.530 17.822 1.00 0.00 H new ATOM 0 HG21 THR A 9 36.260 44.275 16.163 1.00 0.00 H new ATOM 0 HG22 THR A 9 34.747 44.989 15.553 1.00 0.00 H new ATOM 0 HG23 THR A 9 35.278 45.317 17.220 1.00 0.00 H new ATOM 161 N GLY A 10 31.370 43.593 15.536 1.00 0.00 N ATOM 162 CA GLY A 10 30.625 44.080 14.335 1.00 0.00 C ATOM 163 C GLY A 10 31.214 43.462 13.065 1.00 0.00 C ATOM 164 O GLY A 10 30.880 43.859 11.966 1.00 0.00 O ATOM 0 H GLY A 10 31.067 42.687 15.894 1.00 0.00 H new ATOM 0 HA2 GLY A 10 29.570 43.818 14.421 1.00 0.00 H new ATOM 0 HA3 GLY A 10 30.680 45.167 14.279 1.00 0.00 H new ATOM 168 N LYS A 11 32.086 42.494 13.193 1.00 0.00 N ATOM 169 CA LYS A 11 32.680 41.862 11.976 1.00 0.00 C ATOM 170 C LYS A 11 31.825 40.666 11.552 1.00 0.00 C ATOM 171 O LYS A 11 31.549 39.778 12.337 1.00 0.00 O ATOM 172 CB LYS A 11 34.098 41.377 12.290 1.00 0.00 C ATOM 173 CG LYS A 11 35.004 42.578 12.574 1.00 0.00 C ATOM 174 CD LYS A 11 36.446 42.097 12.751 1.00 0.00 C ATOM 175 CE LYS A 11 37.345 43.289 13.083 1.00 0.00 C ATOM 176 NZ LYS A 11 37.320 44.261 11.954 1.00 0.00 N ATOM 0 H LYS A 11 32.411 42.116 14.083 1.00 0.00 H new ATOM 0 HA LYS A 11 32.713 42.595 11.170 1.00 0.00 H new ATOM 0 HB2 LYS A 11 34.082 40.710 13.152 1.00 0.00 H new ATOM 0 HB3 LYS A 11 34.491 40.804 11.450 1.00 0.00 H new ATOM 0 HG2 LYS A 11 34.946 43.293 11.754 1.00 0.00 H new ATOM 0 HG3 LYS A 11 34.669 43.096 13.473 1.00 0.00 H new ATOM 0 HD2 LYS A 11 36.498 41.356 13.548 1.00 0.00 H new ATOM 0 HD3 LYS A 11 36.792 41.610 11.840 1.00 0.00 H new ATOM 0 HE2 LYS A 11 37.004 43.771 13.999 1.00 0.00 H new ATOM 0 HE3 LYS A 11 38.365 42.950 13.262 1.00 0.00 H new ATOM 0 HZ1 LYS A 11 38.137 44.901 12.029 1.00 0.00 H new ATOM 0 HZ2 LYS A 11 37.365 43.746 11.052 1.00 0.00 H new ATOM 0 HZ3 LYS A 11 36.441 44.816 11.993 1.00 0.00 H new ATOM 190 N THR A 12 31.406 40.640 10.310 1.00 0.00 N ATOM 191 CA THR A 12 30.567 39.505 9.810 1.00 0.00 C ATOM 192 C THR A 12 31.419 38.606 8.912 1.00 0.00 C ATOM 193 O THR A 12 31.965 39.046 7.919 1.00 0.00 O ATOM 194 CB THR A 12 29.388 40.052 9.003 1.00 0.00 C ATOM 195 OG1 THR A 12 28.627 40.934 9.817 1.00 0.00 O ATOM 196 CG2 THR A 12 28.506 38.889 8.543 1.00 0.00 C ATOM 0 H THR A 12 31.610 41.360 9.617 1.00 0.00 H new ATOM 0 HA THR A 12 30.191 38.932 10.657 1.00 0.00 H new ATOM 0 HB THR A 12 29.759 40.593 8.133 1.00 0.00 H new ATOM 0 HG1 THR A 12 27.872 41.286 9.301 1.00 0.00 H new ATOM 0 HG21 THR A 12 27.665 39.276 7.968 1.00 0.00 H new ATOM 0 HG22 THR A 12 29.091 38.213 7.920 1.00 0.00 H new ATOM 0 HG23 THR A 12 28.133 38.349 9.413 1.00 0.00 H new ATOM 204 N ILE A 13 31.527 37.348 9.256 1.00 0.00 N ATOM 205 CA ILE A 13 32.335 36.389 8.437 1.00 0.00 C ATOM 206 C ILE A 13 31.397 35.366 7.809 1.00 0.00 C ATOM 207 O ILE A 13 30.420 34.971 8.405 1.00 0.00 O ATOM 208 CB ILE A 13 33.347 35.657 9.332 1.00 0.00 C ATOM 209 CG1 ILE A 13 34.066 36.664 10.260 1.00 0.00 C ATOM 210 CG2 ILE A 13 34.376 34.946 8.442 1.00 0.00 C ATOM 211 CD1 ILE A 13 33.300 36.825 11.579 1.00 0.00 C ATOM 0 H ILE A 13 31.085 36.938 10.079 1.00 0.00 H new ATOM 0 HA ILE A 13 32.871 36.937 7.663 1.00 0.00 H new ATOM 0 HB ILE A 13 32.823 34.927 9.950 1.00 0.00 H new ATOM 0 HG12 ILE A 13 35.080 36.320 10.462 1.00 0.00 H new ATOM 0 HG13 ILE A 13 34.150 37.630 9.762 1.00 0.00 H new ATOM 0 HG21 ILE A 13 35.099 34.423 9.068 1.00 0.00 H new ATOM 0 HG22 ILE A 13 33.867 34.228 7.799 1.00 0.00 H new ATOM 0 HG23 ILE A 13 34.894 35.681 7.826 1.00 0.00 H new ATOM 0 HD11 ILE A 13 33.822 37.537 12.218 1.00 0.00 H new ATOM 0 HD12 ILE A 13 32.294 37.191 11.373 1.00 0.00 H new ATOM 0 HD13 ILE A 13 33.239 35.861 12.084 1.00 0.00 H new ATOM 223 N THR A 14 31.692 34.935 6.610 1.00 0.00 N ATOM 224 CA THR A 14 30.821 33.928 5.914 1.00 0.00 C ATOM 225 C THR A 14 31.607 32.637 5.681 1.00 0.00 C ATOM 226 O THR A 14 32.769 32.659 5.324 1.00 0.00 O ATOM 227 CB THR A 14 30.366 34.494 4.564 1.00 0.00 C ATOM 228 OG1 THR A 14 29.675 33.486 3.841 1.00 0.00 O ATOM 229 CG2 THR A 14 31.578 34.963 3.756 1.00 0.00 C ATOM 0 H THR A 14 32.506 35.238 6.075 1.00 0.00 H new ATOM 0 HA THR A 14 29.951 33.715 6.536 1.00 0.00 H new ATOM 0 HB THR A 14 29.704 35.343 4.736 1.00 0.00 H new ATOM 0 HG1 THR A 14 29.381 33.846 2.978 1.00 0.00 H new ATOM 0 HG21 THR A 14 31.244 35.363 2.799 1.00 0.00 H new ATOM 0 HG22 THR A 14 32.106 35.739 4.310 1.00 0.00 H new ATOM 0 HG23 THR A 14 32.248 34.121 3.583 1.00 0.00 H new ATOM 237 N LEU A 15 30.978 31.506 5.885 1.00 0.00 N ATOM 238 CA LEU A 15 31.671 30.199 5.685 1.00 0.00 C ATOM 239 C LEU A 15 30.724 29.212 5.001 1.00 0.00 C ATOM 240 O LEU A 15 29.519 29.375 5.014 1.00 0.00 O ATOM 241 CB LEU A 15 32.089 29.617 7.040 1.00 0.00 C ATOM 242 CG LEU A 15 32.933 30.642 7.838 1.00 0.00 C ATOM 243 CD1 LEU A 15 32.035 31.464 8.773 1.00 0.00 C ATOM 244 CD2 LEU A 15 33.969 29.902 8.688 1.00 0.00 C ATOM 0 H LEU A 15 30.006 31.434 6.184 1.00 0.00 H new ATOM 0 HA LEU A 15 32.552 30.362 5.065 1.00 0.00 H new ATOM 0 HB2 LEU A 15 31.203 29.343 7.613 1.00 0.00 H new ATOM 0 HB3 LEU A 15 32.665 28.704 6.888 1.00 0.00 H new ATOM 0 HG LEU A 15 33.427 31.307 7.130 1.00 0.00 H new ATOM 0 HD11 LEU A 15 32.644 32.179 9.326 1.00 0.00 H new ATOM 0 HD12 LEU A 15 31.291 32.000 8.184 1.00 0.00 H new ATOM 0 HD13 LEU A 15 31.532 30.797 9.474 1.00 0.00 H new ATOM 0 HD21 LEU A 15 34.562 30.624 9.249 1.00 0.00 H new ATOM 0 HD22 LEU A 15 33.460 29.234 9.382 1.00 0.00 H new ATOM 0 HD23 LEU A 15 34.624 29.321 8.039 1.00 0.00 H new ATOM 256 N GLU A 16 31.272 28.167 4.438 1.00 0.00 N ATOM 257 CA GLU A 16 30.438 27.120 3.770 1.00 0.00 C ATOM 258 C GLU A 16 30.577 25.837 4.589 1.00 0.00 C ATOM 259 O GLU A 16 31.673 25.413 4.896 1.00 0.00 O ATOM 260 CB GLU A 16 30.949 26.882 2.348 1.00 0.00 C ATOM 261 CG GLU A 16 30.906 28.195 1.562 1.00 0.00 C ATOM 262 CD GLU A 16 31.180 27.915 0.083 1.00 0.00 C ATOM 263 OE1 GLU A 16 31.041 26.771 -0.319 1.00 0.00 O ATOM 264 OE2 GLU A 16 31.525 28.848 -0.622 1.00 0.00 O ATOM 0 H GLU A 16 32.276 27.991 4.412 1.00 0.00 H new ATOM 0 HA GLU A 16 29.395 27.433 3.714 1.00 0.00 H new ATOM 0 HB2 GLU A 16 31.968 26.496 2.376 1.00 0.00 H new ATOM 0 HB3 GLU A 16 30.337 26.129 1.852 1.00 0.00 H new ATOM 0 HG2 GLU A 16 29.931 28.669 1.679 1.00 0.00 H new ATOM 0 HG3 GLU A 16 31.648 28.890 1.955 1.00 0.00 H new ATOM 271 N VAL A 17 29.485 25.215 4.959 1.00 0.00 N ATOM 272 CA VAL A 17 29.584 23.966 5.777 1.00 0.00 C ATOM 273 C VAL A 17 28.465 22.994 5.394 1.00 0.00 C ATOM 274 O VAL A 17 27.600 23.300 4.597 1.00 0.00 O ATOM 275 CB VAL A 17 29.485 24.323 7.279 1.00 0.00 C ATOM 276 CG1 VAL A 17 30.131 25.689 7.526 1.00 0.00 C ATOM 277 CG2 VAL A 17 28.013 24.373 7.735 1.00 0.00 C ATOM 0 H VAL A 17 28.537 25.515 4.733 1.00 0.00 H new ATOM 0 HA VAL A 17 30.543 23.486 5.583 1.00 0.00 H new ATOM 0 HB VAL A 17 30.005 23.553 7.849 1.00 0.00 H new ATOM 0 HG11 VAL A 17 30.060 25.939 8.585 1.00 0.00 H new ATOM 0 HG12 VAL A 17 31.180 25.654 7.231 1.00 0.00 H new ATOM 0 HG13 VAL A 17 29.614 26.448 6.939 1.00 0.00 H new ATOM 0 HG21 VAL A 17 27.969 24.626 8.794 1.00 0.00 H new ATOM 0 HG22 VAL A 17 27.479 25.129 7.159 1.00 0.00 H new ATOM 0 HG23 VAL A 17 27.549 23.400 7.575 1.00 0.00 H new ATOM 287 N GLU A 18 28.478 21.831 5.987 1.00 0.00 N ATOM 288 CA GLU A 18 27.426 20.809 5.713 1.00 0.00 C ATOM 289 C GLU A 18 26.542 20.693 6.960 1.00 0.00 C ATOM 290 O GLU A 18 26.996 20.932 8.061 1.00 0.00 O ATOM 291 CB GLU A 18 28.104 19.463 5.440 1.00 0.00 C ATOM 292 CG GLU A 18 28.762 19.490 4.059 1.00 0.00 C ATOM 293 CD GLU A 18 29.463 18.156 3.801 1.00 0.00 C ATOM 294 OE1 GLU A 18 30.105 17.660 4.713 1.00 0.00 O ATOM 295 OE2 GLU A 18 29.347 17.652 2.696 1.00 0.00 O ATOM 0 H GLU A 18 29.186 21.541 6.662 1.00 0.00 H new ATOM 0 HA GLU A 18 26.824 21.093 4.850 1.00 0.00 H new ATOM 0 HB2 GLU A 18 28.852 19.259 6.206 1.00 0.00 H new ATOM 0 HB3 GLU A 18 27.370 18.658 5.489 1.00 0.00 H new ATOM 0 HG2 GLU A 18 28.011 19.673 3.290 1.00 0.00 H new ATOM 0 HG3 GLU A 18 29.481 20.307 4.003 1.00 0.00 H new ATOM 302 N PRO A 19 25.295 20.328 6.809 1.00 0.00 N ATOM 303 CA PRO A 19 24.366 20.181 7.969 1.00 0.00 C ATOM 304 C PRO A 19 24.761 18.981 8.834 1.00 0.00 C ATOM 305 O PRO A 19 24.620 18.989 10.040 1.00 0.00 O ATOM 306 CB PRO A 19 23.003 19.950 7.304 1.00 0.00 C ATOM 307 CG PRO A 19 23.343 19.318 6.000 1.00 0.00 C ATOM 308 CD PRO A 19 24.622 20.006 5.538 1.00 0.00 C ATOM 0 HA PRO A 19 24.375 21.044 8.635 1.00 0.00 H new ATOM 0 HB2 PRO A 19 22.368 19.302 7.908 1.00 0.00 H new ATOM 0 HB3 PRO A 19 22.462 20.886 7.165 1.00 0.00 H new ATOM 0 HG2 PRO A 19 23.493 18.244 6.111 1.00 0.00 H new ATOM 0 HG3 PRO A 19 22.540 19.455 5.276 1.00 0.00 H new ATOM 0 HD2 PRO A 19 25.230 19.352 4.912 1.00 0.00 H new ATOM 0 HD3 PRO A 19 24.411 20.901 4.953 1.00 0.00 H new ATOM 316 N SER A 20 25.257 17.950 8.210 1.00 0.00 N ATOM 317 CA SER A 20 25.671 16.743 8.971 1.00 0.00 C ATOM 318 C SER A 20 27.073 16.963 9.538 1.00 0.00 C ATOM 319 O SER A 20 27.651 16.080 10.140 1.00 0.00 O ATOM 320 CB SER A 20 25.683 15.533 8.035 1.00 0.00 C ATOM 321 OG SER A 20 26.495 14.510 8.598 1.00 0.00 O ATOM 0 H SER A 20 25.393 17.893 7.201 1.00 0.00 H new ATOM 0 HA SER A 20 24.971 16.564 9.787 1.00 0.00 H new ATOM 0 HB2 SER A 20 24.668 15.166 7.884 1.00 0.00 H new ATOM 0 HB3 SER A 20 26.067 15.820 7.056 1.00 0.00 H new ATOM 0 HG SER A 20 26.694 14.728 9.533 1.00 0.00 H new ATOM 327 N ASP A 21 27.630 18.132 9.354 1.00 0.00 N ATOM 328 CA ASP A 21 28.998 18.378 9.898 1.00 0.00 C ATOM 329 C ASP A 21 28.935 18.348 11.429 1.00 0.00 C ATOM 330 O ASP A 21 27.936 18.700 12.028 1.00 0.00 O ATOM 331 CB ASP A 21 29.536 19.741 9.405 1.00 0.00 C ATOM 332 CG ASP A 21 31.063 19.674 9.258 1.00 0.00 C ATOM 333 OD1 ASP A 21 31.531 18.805 8.541 1.00 0.00 O ATOM 334 OD2 ASP A 21 31.736 20.487 9.866 1.00 0.00 O ATOM 0 H ASP A 21 27.205 18.916 8.859 1.00 0.00 H new ATOM 0 HA ASP A 21 29.677 17.601 9.546 1.00 0.00 H new ATOM 0 HB2 ASP A 21 29.080 19.998 8.449 1.00 0.00 H new ATOM 0 HB3 ASP A 21 29.263 20.527 10.110 1.00 0.00 H new ATOM 339 N THR A 22 29.993 17.926 12.068 1.00 0.00 N ATOM 340 CA THR A 22 30.003 17.868 13.559 1.00 0.00 C ATOM 341 C THR A 22 30.491 19.208 14.112 1.00 0.00 C ATOM 342 O THR A 22 31.163 19.954 13.433 1.00 0.00 O ATOM 343 CB THR A 22 30.950 16.755 14.012 1.00 0.00 C ATOM 344 OG1 THR A 22 32.271 17.061 13.587 1.00 0.00 O ATOM 345 CG2 THR A 22 30.511 15.424 13.399 1.00 0.00 C ATOM 0 H THR A 22 30.855 17.617 11.619 1.00 0.00 H new ATOM 0 HA THR A 22 28.997 17.666 13.928 1.00 0.00 H new ATOM 0 HB THR A 22 30.924 16.676 15.099 1.00 0.00 H new ATOM 0 HG1 THR A 22 32.811 16.243 13.583 1.00 0.00 H new ATOM 0 HG21 THR A 22 31.187 14.633 13.723 1.00 0.00 H new ATOM 0 HG22 THR A 22 29.497 15.190 13.724 1.00 0.00 H new ATOM 0 HG23 THR A 22 30.535 15.499 12.312 1.00 0.00 H new ATOM 353 N ILE A 23 30.170 19.518 15.338 1.00 0.00 N ATOM 354 CA ILE A 23 30.636 20.812 15.913 1.00 0.00 C ATOM 355 C ILE A 23 32.170 20.836 15.873 1.00 0.00 C ATOM 356 O ILE A 23 32.775 21.832 15.533 1.00 0.00 O ATOM 357 CB ILE A 23 30.143 20.949 17.368 1.00 0.00 C ATOM 358 CG1 ILE A 23 28.643 21.303 17.395 1.00 0.00 C ATOM 359 CG2 ILE A 23 30.925 22.063 18.083 1.00 0.00 C ATOM 360 CD1 ILE A 23 27.802 20.088 17.001 1.00 0.00 C ATOM 0 H ILE A 23 29.610 18.937 15.962 1.00 0.00 H new ATOM 0 HA ILE A 23 30.236 21.644 15.334 1.00 0.00 H new ATOM 0 HB ILE A 23 30.302 19.997 17.875 1.00 0.00 H new ATOM 0 HG12 ILE A 23 28.360 21.641 18.392 1.00 0.00 H new ATOM 0 HG13 ILE A 23 28.445 22.128 16.711 1.00 0.00 H new ATOM 0 HG21 ILE A 23 30.571 22.154 19.110 1.00 0.00 H new ATOM 0 HG22 ILE A 23 31.987 21.818 18.085 1.00 0.00 H new ATOM 0 HG23 ILE A 23 30.772 23.008 17.561 1.00 0.00 H new ATOM 0 HD11 ILE A 23 26.745 20.354 17.025 1.00 0.00 H new ATOM 0 HD12 ILE A 23 28.073 19.769 15.995 1.00 0.00 H new ATOM 0 HD13 ILE A 23 27.987 19.274 17.702 1.00 0.00 H new ATOM 372 N GLU A 24 32.798 19.747 16.223 1.00 0.00 N ATOM 373 CA GLU A 24 34.289 19.705 16.214 1.00 0.00 C ATOM 374 C GLU A 24 34.814 19.949 14.798 1.00 0.00 C ATOM 375 O GLU A 24 35.803 20.627 14.600 1.00 0.00 O ATOM 376 CB GLU A 24 34.765 18.330 16.688 1.00 0.00 C ATOM 377 CG GLU A 24 34.112 17.234 15.842 1.00 0.00 C ATOM 378 CD GLU A 24 34.407 15.867 16.461 1.00 0.00 C ATOM 379 OE1 GLU A 24 34.211 15.725 17.657 1.00 0.00 O ATOM 380 OE2 GLU A 24 34.826 14.985 15.730 1.00 0.00 O ATOM 0 H GLU A 24 32.342 18.883 16.515 1.00 0.00 H new ATOM 0 HA GLU A 24 34.666 20.481 16.880 1.00 0.00 H new ATOM 0 HB2 GLU A 24 35.850 18.264 16.610 1.00 0.00 H new ATOM 0 HB3 GLU A 24 34.512 18.190 17.739 1.00 0.00 H new ATOM 0 HG2 GLU A 24 33.035 17.395 15.787 1.00 0.00 H new ATOM 0 HG3 GLU A 24 34.493 17.273 14.821 1.00 0.00 H new ATOM 387 N ASN A 25 34.159 19.408 13.812 1.00 0.00 N ATOM 388 CA ASN A 25 34.618 19.606 12.406 1.00 0.00 C ATOM 389 C ASN A 25 34.409 21.064 11.993 1.00 0.00 C ATOM 390 O ASN A 25 35.248 21.668 11.349 1.00 0.00 O ATOM 391 CB ASN A 25 33.811 18.696 11.474 1.00 0.00 C ATOM 392 CG ASN A 25 34.427 18.720 10.074 1.00 0.00 C ATOM 393 OD1 ASN A 25 35.008 19.707 9.669 1.00 0.00 O ATOM 394 ND2 ASN A 25 34.324 17.664 9.312 1.00 0.00 N ATOM 0 H ASN A 25 33.322 18.835 13.917 1.00 0.00 H new ATOM 0 HA ASN A 25 35.677 19.359 12.336 1.00 0.00 H new ATOM 0 HB2 ASN A 25 33.803 17.677 11.861 1.00 0.00 H new ATOM 0 HB3 ASN A 25 32.774 19.029 11.432 1.00 0.00 H new ATOM 0 HD21 ASN A 25 34.731 17.668 8.377 1.00 0.00 H new ATOM 0 HD22 ASN A 25 33.836 16.835 9.652 1.00 0.00 H new ATOM 401 N VAL A 26 33.295 21.636 12.352 1.00 0.00 N ATOM 402 CA VAL A 26 33.031 23.051 11.976 1.00 0.00 C ATOM 403 C VAL A 26 33.978 23.968 12.757 1.00 0.00 C ATOM 404 O VAL A 26 34.378 25.013 12.280 1.00 0.00 O ATOM 405 CB VAL A 26 31.573 23.398 12.288 1.00 0.00 C ATOM 406 CG1 VAL A 26 31.313 24.868 11.970 1.00 0.00 C ATOM 407 CG2 VAL A 26 30.654 22.536 11.423 1.00 0.00 C ATOM 0 H VAL A 26 32.555 21.184 12.890 1.00 0.00 H new ATOM 0 HA VAL A 26 33.204 23.190 10.909 1.00 0.00 H new ATOM 0 HB VAL A 26 31.378 23.212 13.344 1.00 0.00 H new ATOM 0 HG11 VAL A 26 30.274 25.110 12.194 1.00 0.00 H new ATOM 0 HG12 VAL A 26 31.970 25.493 12.575 1.00 0.00 H new ATOM 0 HG13 VAL A 26 31.509 25.052 10.914 1.00 0.00 H new ATOM 0 HG21 VAL A 26 29.614 22.780 11.642 1.00 0.00 H new ATOM 0 HG22 VAL A 26 30.858 22.730 10.370 1.00 0.00 H new ATOM 0 HG23 VAL A 26 30.833 21.483 11.639 1.00 0.00 H new ATOM 417 N LYS A 27 34.353 23.582 13.948 1.00 0.00 N ATOM 418 CA LYS A 27 35.284 24.420 14.752 1.00 0.00 C ATOM 419 C LYS A 27 36.645 24.409 14.060 1.00 0.00 C ATOM 420 O LYS A 27 37.369 25.384 14.049 1.00 0.00 O ATOM 421 CB LYS A 27 35.412 23.815 16.165 1.00 0.00 C ATOM 422 CG LYS A 27 35.766 24.914 17.184 1.00 0.00 C ATOM 423 CD LYS A 27 34.484 25.633 17.651 1.00 0.00 C ATOM 424 CE LYS A 27 33.907 24.932 18.886 1.00 0.00 C ATOM 425 NZ LYS A 27 32.622 25.583 19.271 1.00 0.00 N ATOM 0 H LYS A 27 34.052 22.718 14.399 1.00 0.00 H new ATOM 0 HA LYS A 27 34.914 25.442 14.834 1.00 0.00 H new ATOM 0 HB2 LYS A 27 34.476 23.334 16.449 1.00 0.00 H new ATOM 0 HB3 LYS A 27 36.182 23.043 16.170 1.00 0.00 H new ATOM 0 HG2 LYS A 27 36.280 24.476 18.040 1.00 0.00 H new ATOM 0 HG3 LYS A 27 36.452 25.632 16.734 1.00 0.00 H new ATOM 0 HD2 LYS A 27 34.706 26.674 17.885 1.00 0.00 H new ATOM 0 HD3 LYS A 27 33.747 25.637 16.848 1.00 0.00 H new ATOM 0 HE2 LYS A 27 33.743 23.875 18.674 1.00 0.00 H new ATOM 0 HE3 LYS A 27 34.616 24.985 19.712 1.00 0.00 H new ATOM 0 HZ1 LYS A 27 32.230 25.108 20.109 1.00 0.00 H new ATOM 0 HZ2 LYS A 27 32.792 26.585 19.489 1.00 0.00 H new ATOM 0 HZ3 LYS A 27 31.946 25.510 18.484 1.00 0.00 H new ATOM 439 N ALA A 28 36.974 23.300 13.470 1.00 0.00 N ATOM 440 CA ALA A 28 38.263 23.178 12.751 1.00 0.00 C ATOM 441 C ALA A 28 38.273 24.177 11.594 1.00 0.00 C ATOM 442 O ALA A 28 39.222 24.908 11.390 1.00 0.00 O ATOM 443 CB ALA A 28 38.373 21.753 12.214 1.00 0.00 C ATOM 0 H ALA A 28 36.395 22.461 13.456 1.00 0.00 H new ATOM 0 HA ALA A 28 39.104 23.388 13.413 1.00 0.00 H new ATOM 0 HB1 ALA A 28 39.316 21.637 11.679 1.00 0.00 H new ATOM 0 HB2 ALA A 28 38.338 21.048 13.044 1.00 0.00 H new ATOM 0 HB3 ALA A 28 37.544 21.555 11.535 1.00 0.00 H new ATOM 449 N LYS A 29 37.211 24.204 10.840 1.00 0.00 N ATOM 450 CA LYS A 29 37.129 25.147 9.692 1.00 0.00 C ATOM 451 C LYS A 29 37.308 26.579 10.205 1.00 0.00 C ATOM 452 O LYS A 29 38.005 27.379 9.614 1.00 0.00 O ATOM 453 CB LYS A 29 35.760 25.016 9.029 1.00 0.00 C ATOM 454 CG LYS A 29 35.612 23.618 8.428 1.00 0.00 C ATOM 455 CD LYS A 29 34.229 23.488 7.787 1.00 0.00 C ATOM 456 CE LYS A 29 34.071 22.092 7.184 1.00 0.00 C ATOM 457 NZ LYS A 29 32.743 21.990 6.514 1.00 0.00 N ATOM 0 H LYS A 29 36.392 23.610 10.970 1.00 0.00 H new ATOM 0 HA LYS A 29 37.910 24.915 8.968 1.00 0.00 H new ATOM 0 HB2 LYS A 29 34.972 25.193 9.761 1.00 0.00 H new ATOM 0 HB3 LYS A 29 35.648 25.771 8.251 1.00 0.00 H new ATOM 0 HG2 LYS A 29 36.389 23.446 7.683 1.00 0.00 H new ATOM 0 HG3 LYS A 29 35.739 22.861 9.202 1.00 0.00 H new ATOM 0 HD2 LYS A 29 33.454 23.663 8.533 1.00 0.00 H new ATOM 0 HD3 LYS A 29 34.103 24.245 7.013 1.00 0.00 H new ATOM 0 HE2 LYS A 29 34.869 21.901 6.466 1.00 0.00 H new ATOM 0 HE3 LYS A 29 34.157 21.335 7.964 1.00 0.00 H new ATOM 0 HZ1 LYS A 29 32.633 21.041 6.103 1.00 0.00 H new ATOM 0 HZ2 LYS A 29 31.989 22.155 7.211 1.00 0.00 H new ATOM 0 HZ3 LYS A 29 32.679 22.703 5.760 1.00 0.00 H new ATOM 471 N ILE A 30 36.681 26.905 11.303 1.00 0.00 N ATOM 472 CA ILE A 30 36.806 28.283 11.859 1.00 0.00 C ATOM 473 C ILE A 30 38.258 28.543 12.269 1.00 0.00 C ATOM 474 O ILE A 30 38.799 29.601 12.026 1.00 0.00 O ATOM 475 CB ILE A 30 35.896 28.420 13.089 1.00 0.00 C ATOM 476 CG1 ILE A 30 34.411 28.343 12.659 1.00 0.00 C ATOM 477 CG2 ILE A 30 36.177 29.755 13.799 1.00 0.00 C ATOM 478 CD1 ILE A 30 33.891 29.714 12.202 1.00 0.00 C ATOM 0 H ILE A 30 36.086 26.274 11.840 1.00 0.00 H new ATOM 0 HA ILE A 30 36.509 29.008 11.101 1.00 0.00 H new ATOM 0 HB ILE A 30 36.102 27.603 13.780 1.00 0.00 H new ATOM 0 HG12 ILE A 30 34.302 27.622 11.849 1.00 0.00 H new ATOM 0 HG13 ILE A 30 33.807 27.982 13.492 1.00 0.00 H new ATOM 0 HG21 ILE A 30 35.529 29.847 14.671 1.00 0.00 H new ATOM 0 HG22 ILE A 30 37.219 29.786 14.117 1.00 0.00 H new ATOM 0 HG23 ILE A 30 35.982 30.580 13.113 1.00 0.00 H new ATOM 0 HD11 ILE A 30 32.845 29.627 11.907 1.00 0.00 H new ATOM 0 HD12 ILE A 30 33.978 30.428 13.021 1.00 0.00 H new ATOM 0 HD13 ILE A 30 34.480 30.062 11.353 1.00 0.00 H new ATOM 490 N GLN A 31 38.887 27.589 12.898 1.00 0.00 N ATOM 491 CA GLN A 31 40.298 27.783 13.332 1.00 0.00 C ATOM 492 C GLN A 31 41.196 27.979 12.110 1.00 0.00 C ATOM 493 O GLN A 31 42.068 28.819 12.095 1.00 0.00 O ATOM 494 CB GLN A 31 40.759 26.542 14.100 1.00 0.00 C ATOM 495 CG GLN A 31 42.183 26.751 14.618 1.00 0.00 C ATOM 496 CD GLN A 31 42.606 25.535 15.446 1.00 0.00 C ATOM 497 OE1 GLN A 31 41.805 24.664 15.720 1.00 0.00 O ATOM 498 NE2 GLN A 31 43.841 25.439 15.859 1.00 0.00 N ATOM 0 H GLN A 31 38.483 26.682 13.130 1.00 0.00 H new ATOM 0 HA GLN A 31 40.362 28.664 13.970 1.00 0.00 H new ATOM 0 HB2 GLN A 31 40.084 26.348 14.934 1.00 0.00 H new ATOM 0 HB3 GLN A 31 40.723 25.667 13.451 1.00 0.00 H new ATOM 0 HG2 GLN A 31 42.869 26.892 13.783 1.00 0.00 H new ATOM 0 HG3 GLN A 31 42.232 27.654 15.227 1.00 0.00 H new ATOM 0 HE21 GLN A 31 44.514 26.170 15.629 1.00 0.00 H new ATOM 0 HE22 GLN A 31 44.133 24.633 16.411 1.00 0.00 H new ATOM 507 N ASP A 32 40.995 27.194 11.093 1.00 0.00 N ATOM 508 CA ASP A 32 41.847 27.307 9.874 1.00 0.00 C ATOM 509 C ASP A 32 41.681 28.680 9.206 1.00 0.00 C ATOM 510 O ASP A 32 42.614 29.212 8.639 1.00 0.00 O ATOM 511 CB ASP A 32 41.447 26.214 8.882 1.00 0.00 C ATOM 512 CG ASP A 32 41.773 24.843 9.477 1.00 0.00 C ATOM 513 OD1 ASP A 32 42.936 24.602 9.755 1.00 0.00 O ATOM 514 OD2 ASP A 32 40.854 24.058 9.646 1.00 0.00 O ATOM 0 H ASP A 32 40.274 26.474 11.050 1.00 0.00 H new ATOM 0 HA ASP A 32 42.890 27.192 10.169 1.00 0.00 H new ATOM 0 HB2 ASP A 32 40.382 26.282 8.659 1.00 0.00 H new ATOM 0 HB3 ASP A 32 41.979 26.350 7.940 1.00 0.00 H new ATOM 519 N LYS A 33 40.503 29.249 9.235 1.00 0.00 N ATOM 520 CA LYS A 33 40.297 30.574 8.562 1.00 0.00 C ATOM 521 C LYS A 33 40.530 31.742 9.533 1.00 0.00 C ATOM 522 O LYS A 33 41.087 32.755 9.162 1.00 0.00 O ATOM 523 CB LYS A 33 38.863 30.646 8.024 1.00 0.00 C ATOM 524 CG LYS A 33 38.659 29.598 6.915 1.00 0.00 C ATOM 525 CD LYS A 33 39.176 30.130 5.570 1.00 0.00 C ATOM 526 CE LYS A 33 38.772 29.166 4.451 1.00 0.00 C ATOM 527 NZ LYS A 33 39.466 27.862 4.643 1.00 0.00 N ATOM 0 H LYS A 33 39.678 28.859 9.691 1.00 0.00 H new ATOM 0 HA LYS A 33 41.018 30.659 7.749 1.00 0.00 H new ATOM 0 HB2 LYS A 33 38.154 30.473 8.833 1.00 0.00 H new ATOM 0 HB3 LYS A 33 38.663 31.644 7.633 1.00 0.00 H new ATOM 0 HG2 LYS A 33 39.183 28.678 7.175 1.00 0.00 H new ATOM 0 HG3 LYS A 33 37.601 29.349 6.832 1.00 0.00 H new ATOM 0 HD2 LYS A 33 38.766 31.121 5.377 1.00 0.00 H new ATOM 0 HD3 LYS A 33 40.261 30.235 5.601 1.00 0.00 H new ATOM 0 HE2 LYS A 33 37.692 29.019 4.455 1.00 0.00 H new ATOM 0 HE3 LYS A 33 39.032 29.589 3.481 1.00 0.00 H new ATOM 0 HZ1 LYS A 33 39.357 27.281 3.787 1.00 0.00 H new ATOM 0 HZ2 LYS A 33 40.477 28.030 4.821 1.00 0.00 H new ATOM 0 HZ3 LYS A 33 39.049 27.363 5.455 1.00 0.00 H new ATOM 541 N GLU A 34 40.096 31.627 10.761 1.00 0.00 N ATOM 542 CA GLU A 34 40.286 32.755 11.731 1.00 0.00 C ATOM 543 C GLU A 34 41.579 32.553 12.527 1.00 0.00 C ATOM 544 O GLU A 34 42.105 33.475 13.118 1.00 0.00 O ATOM 545 CB GLU A 34 39.087 32.808 12.680 1.00 0.00 C ATOM 546 CG GLU A 34 37.845 33.232 11.891 1.00 0.00 C ATOM 547 CD GLU A 34 36.623 33.229 12.811 1.00 0.00 C ATOM 548 OE1 GLU A 34 36.760 32.806 13.946 1.00 0.00 O ATOM 549 OE2 GLU A 34 35.569 33.651 12.362 1.00 0.00 O ATOM 0 H GLU A 34 39.620 30.807 11.136 1.00 0.00 H new ATOM 0 HA GLU A 34 40.359 33.695 11.185 1.00 0.00 H new ATOM 0 HB2 GLU A 34 38.927 31.832 13.139 1.00 0.00 H new ATOM 0 HB3 GLU A 34 39.278 33.513 13.489 1.00 0.00 H new ATOM 0 HG2 GLU A 34 37.992 34.226 11.469 1.00 0.00 H new ATOM 0 HG3 GLU A 34 37.684 32.552 11.055 1.00 0.00 H new ATOM 556 N GLY A 35 42.106 31.362 12.525 1.00 0.00 N ATOM 557 CA GLY A 35 43.381 31.106 13.259 1.00 0.00 C ATOM 558 C GLY A 35 43.149 31.095 14.775 1.00 0.00 C ATOM 559 O GLY A 35 44.065 30.871 15.541 1.00 0.00 O ATOM 0 H GLY A 35 41.711 30.552 12.047 1.00 0.00 H new ATOM 0 HA2 GLY A 35 43.800 30.150 12.945 1.00 0.00 H new ATOM 0 HA3 GLY A 35 44.112 31.874 13.005 1.00 0.00 H new ATOM 563 N ILE A 36 41.945 31.336 15.226 1.00 0.00 N ATOM 564 CA ILE A 36 41.696 31.334 16.700 1.00 0.00 C ATOM 565 C ILE A 36 41.520 29.880 17.178 1.00 0.00 C ATOM 566 O ILE A 36 40.807 29.118 16.554 1.00 0.00 O ATOM 567 CB ILE A 36 40.418 32.125 17.003 1.00 0.00 C ATOM 568 CG1 ILE A 36 40.520 33.518 16.373 1.00 0.00 C ATOM 569 CG2 ILE A 36 40.244 32.266 18.520 1.00 0.00 C ATOM 570 CD1 ILE A 36 39.190 34.255 16.546 1.00 0.00 C ATOM 0 H ILE A 36 41.130 31.532 14.645 1.00 0.00 H new ATOM 0 HA ILE A 36 42.539 31.794 17.216 1.00 0.00 H new ATOM 0 HB ILE A 36 39.560 31.596 16.588 1.00 0.00 H new ATOM 0 HG12 ILE A 36 41.325 34.083 16.843 1.00 0.00 H new ATOM 0 HG13 ILE A 36 40.766 33.433 15.314 1.00 0.00 H new ATOM 0 HG21 ILE A 36 39.335 32.829 18.731 1.00 0.00 H new ATOM 0 HG22 ILE A 36 40.171 31.277 18.971 1.00 0.00 H new ATOM 0 HG23 ILE A 36 41.102 32.793 18.937 1.00 0.00 H new ATOM 0 HD11 ILE A 36 39.262 35.246 16.098 1.00 0.00 H new ATOM 0 HD12 ILE A 36 38.396 33.692 16.056 1.00 0.00 H new ATOM 0 HD13 ILE A 36 38.963 34.353 17.608 1.00 0.00 H new ATOM 582 N PRO A 37 42.149 29.479 18.267 1.00 0.00 N ATOM 583 CA PRO A 37 42.020 28.081 18.778 1.00 0.00 C ATOM 584 C PRO A 37 40.624 27.810 19.370 1.00 0.00 C ATOM 585 O PRO A 37 39.889 28.724 19.705 1.00 0.00 O ATOM 586 CB PRO A 37 43.112 27.981 19.855 1.00 0.00 C ATOM 587 CG PRO A 37 43.319 29.383 20.328 1.00 0.00 C ATOM 588 CD PRO A 37 43.048 30.286 19.121 1.00 0.00 C ATOM 0 HA PRO A 37 42.137 27.341 17.986 1.00 0.00 H new ATOM 0 HB2 PRO A 37 42.801 27.331 20.673 1.00 0.00 H new ATOM 0 HB3 PRO A 37 44.032 27.562 19.447 1.00 0.00 H new ATOM 0 HG2 PRO A 37 42.644 29.620 21.151 1.00 0.00 H new ATOM 0 HG3 PRO A 37 44.335 29.523 20.698 1.00 0.00 H new ATOM 0 HD2 PRO A 37 42.579 31.223 19.421 1.00 0.00 H new ATOM 0 HD3 PRO A 37 43.970 30.543 18.599 1.00 0.00 H new ATOM 596 N PRO A 38 40.259 26.559 19.492 1.00 0.00 N ATOM 597 CA PRO A 38 38.932 26.155 20.041 1.00 0.00 C ATOM 598 C PRO A 38 38.806 26.454 21.537 1.00 0.00 C ATOM 599 O PRO A 38 37.720 26.614 22.055 1.00 0.00 O ATOM 600 CB PRO A 38 38.884 24.646 19.774 1.00 0.00 C ATOM 601 CG PRO A 38 40.309 24.243 19.802 1.00 0.00 C ATOM 602 CD PRO A 38 41.064 25.382 19.129 1.00 0.00 C ATOM 0 HA PRO A 38 38.110 26.704 19.580 1.00 0.00 H new ATOM 0 HB2 PRO A 38 38.304 24.122 20.534 1.00 0.00 H new ATOM 0 HB3 PRO A 38 38.423 24.423 18.812 1.00 0.00 H new ATOM 0 HG2 PRO A 38 40.655 24.092 20.825 1.00 0.00 H new ATOM 0 HG3 PRO A 38 40.462 23.303 19.272 1.00 0.00 H new ATOM 0 HD2 PRO A 38 42.087 25.462 19.495 1.00 0.00 H new ATOM 0 HD3 PRO A 38 41.122 25.248 18.049 1.00 0.00 H new ATOM 610 N ASP A 39 39.903 26.527 22.239 1.00 0.00 N ATOM 611 CA ASP A 39 39.836 26.810 23.697 1.00 0.00 C ATOM 612 C ASP A 39 39.688 28.313 23.940 1.00 0.00 C ATOM 613 O ASP A 39 39.575 28.749 25.069 1.00 0.00 O ATOM 614 CB ASP A 39 41.122 26.320 24.366 1.00 0.00 C ATOM 615 CG ASP A 39 42.317 27.078 23.784 1.00 0.00 C ATOM 616 OD1 ASP A 39 42.101 27.915 22.923 1.00 0.00 O ATOM 617 OD2 ASP A 39 43.429 26.811 24.210 1.00 0.00 O ATOM 0 H ASP A 39 40.843 26.402 21.864 1.00 0.00 H new ATOM 0 HA ASP A 39 38.973 26.294 24.118 1.00 0.00 H new ATOM 0 HB2 ASP A 39 41.067 26.477 25.443 1.00 0.00 H new ATOM 0 HB3 ASP A 39 41.243 25.249 24.205 1.00 0.00 H new ATOM 622 N GLN A 40 39.678 29.116 22.899 1.00 0.00 N ATOM 623 CA GLN A 40 39.530 30.597 23.084 1.00 0.00 C ATOM 624 C GLN A 40 38.204 31.065 22.490 1.00 0.00 C ATOM 625 O GLN A 40 37.604 32.007 22.969 1.00 0.00 O ATOM 626 CB GLN A 40 40.661 31.318 22.351 1.00 0.00 C ATOM 627 CG GLN A 40 40.548 32.823 22.602 1.00 0.00 C ATOM 628 CD GLN A 40 41.795 33.525 22.062 1.00 0.00 C ATOM 629 OE1 GLN A 40 41.719 34.282 21.115 1.00 0.00 O ATOM 630 NE2 GLN A 40 42.949 33.301 22.628 1.00 0.00 N ATOM 0 H GLN A 40 39.766 28.809 21.930 1.00 0.00 H new ATOM 0 HA GLN A 40 39.562 30.822 24.150 1.00 0.00 H new ATOM 0 HB2 GLN A 40 41.627 30.951 22.699 1.00 0.00 H new ATOM 0 HB3 GLN A 40 40.607 31.111 21.282 1.00 0.00 H new ATOM 0 HG2 GLN A 40 39.656 33.218 22.115 1.00 0.00 H new ATOM 0 HG3 GLN A 40 40.441 33.018 23.669 1.00 0.00 H new ATOM 0 HE21 GLN A 40 43.012 32.665 23.423 1.00 0.00 H new ATOM 0 HE22 GLN A 40 43.788 33.762 22.275 1.00 0.00 H new ATOM 639 N GLN A 41 37.737 30.426 21.448 1.00 0.00 N ATOM 640 CA GLN A 41 36.446 30.850 20.824 1.00 0.00 C ATOM 641 C GLN A 41 35.296 29.963 21.327 1.00 0.00 C ATOM 642 O GLN A 41 35.419 28.757 21.393 1.00 0.00 O ATOM 643 CB GLN A 41 36.552 30.697 19.303 1.00 0.00 C ATOM 644 CG GLN A 41 35.328 31.340 18.645 1.00 0.00 C ATOM 645 CD GLN A 41 35.324 31.038 17.147 1.00 0.00 C ATOM 646 OE1 GLN A 41 36.366 30.876 16.544 1.00 0.00 O ATOM 647 NE2 GLN A 41 34.184 30.956 16.514 1.00 0.00 N ATOM 0 H GLN A 41 38.193 29.630 21.002 1.00 0.00 H new ATOM 0 HA GLN A 41 36.247 31.888 21.092 1.00 0.00 H new ATOM 0 HB2 GLN A 41 37.465 31.170 18.941 1.00 0.00 H new ATOM 0 HB3 GLN A 41 36.612 29.642 19.035 1.00 0.00 H new ATOM 0 HG2 GLN A 41 34.416 30.959 19.104 1.00 0.00 H new ATOM 0 HG3 GLN A 41 35.341 32.418 18.808 1.00 0.00 H new ATOM 0 HE21 GLN A 41 33.309 31.092 17.020 1.00 0.00 H new ATOM 0 HE22 GLN A 41 34.169 30.756 15.514 1.00 0.00 H new ATOM 656 N ARG A 42 34.167 30.557 21.651 1.00 0.00 N ATOM 657 CA ARG A 42 32.980 29.764 22.118 1.00 0.00 C ATOM 658 C ARG A 42 31.787 30.145 21.233 1.00 0.00 C ATOM 659 O ARG A 42 31.313 31.266 21.250 1.00 0.00 O ATOM 660 CB ARG A 42 32.686 30.073 23.588 1.00 0.00 C ATOM 661 CG ARG A 42 33.709 29.356 24.482 1.00 0.00 C ATOM 662 CD ARG A 42 33.263 27.902 24.820 1.00 0.00 C ATOM 663 NE ARG A 42 34.462 26.996 24.996 1.00 0.00 N ATOM 664 CZ ARG A 42 35.646 27.469 25.331 1.00 0.00 C ATOM 665 NH1 ARG A 42 36.701 26.740 25.171 1.00 0.00 N ATOM 666 NH2 ARG A 42 35.762 28.620 25.920 1.00 0.00 N ATOM 0 H ARG A 42 34.017 31.565 21.611 1.00 0.00 H new ATOM 0 HA ARG A 42 33.176 28.695 22.039 1.00 0.00 H new ATOM 0 HB2 ARG A 42 32.730 31.149 23.759 1.00 0.00 H new ATOM 0 HB3 ARG A 42 31.677 29.750 23.843 1.00 0.00 H new ATOM 0 HG2 ARG A 42 34.676 29.332 23.980 1.00 0.00 H new ATOM 0 HG3 ARG A 42 33.843 29.919 25.406 1.00 0.00 H new ATOM 0 HD2 ARG A 42 32.666 27.903 25.732 1.00 0.00 H new ATOM 0 HD3 ARG A 42 32.626 27.518 24.023 1.00 0.00 H new ATOM 0 HE ARG A 42 34.351 25.992 24.852 1.00 0.00 H new ATOM 0 HH11 ARG A 42 36.617 25.799 24.786 1.00 0.00 H new ATOM 0 HH12 ARG A 42 37.617 27.105 25.430 1.00 0.00 H new ATOM 0 HH21 ARG A 42 34.930 29.172 26.130 1.00 0.00 H new ATOM 0 HH22 ARG A 42 36.685 28.973 26.173 1.00 0.00 H new ATOM 680 N LEU A 43 31.338 29.215 20.427 1.00 0.00 N ATOM 681 CA LEU A 43 30.211 29.490 19.477 1.00 0.00 C ATOM 682 C LEU A 43 28.848 29.100 20.069 1.00 0.00 C ATOM 683 O LEU A 43 28.652 27.996 20.556 1.00 0.00 O ATOM 684 CB LEU A 43 30.440 28.672 18.196 1.00 0.00 C ATOM 685 CG LEU A 43 31.507 29.343 17.303 1.00 0.00 C ATOM 686 CD1 LEU A 43 32.138 28.288 16.380 1.00 0.00 C ATOM 687 CD2 LEU A 43 30.865 30.443 16.442 1.00 0.00 C ATOM 0 H LEU A 43 31.708 28.265 20.385 1.00 0.00 H new ATOM 0 HA LEU A 43 30.196 30.560 19.272 1.00 0.00 H new ATOM 0 HB2 LEU A 43 30.758 27.662 18.455 1.00 0.00 H new ATOM 0 HB3 LEU A 43 29.504 28.579 17.645 1.00 0.00 H new ATOM 0 HG LEU A 43 32.271 29.787 17.941 1.00 0.00 H new ATOM 0 HD11 LEU A 43 32.891 28.760 15.749 1.00 0.00 H new ATOM 0 HD12 LEU A 43 32.606 27.510 16.983 1.00 0.00 H new ATOM 0 HD13 LEU A 43 31.365 27.845 15.752 1.00 0.00 H new ATOM 0 HD21 LEU A 43 31.628 30.908 15.817 1.00 0.00 H new ATOM 0 HD22 LEU A 43 30.094 30.005 15.808 1.00 0.00 H new ATOM 0 HD23 LEU A 43 30.417 31.197 17.089 1.00 0.00 H new ATOM 699 N ILE A 44 27.899 30.008 20.009 1.00 0.00 N ATOM 700 CA ILE A 44 26.524 29.731 20.537 1.00 0.00 C ATOM 701 C ILE A 44 25.490 29.966 19.428 1.00 0.00 C ATOM 702 O ILE A 44 25.579 30.911 18.667 1.00 0.00 O ATOM 703 CB ILE A 44 26.234 30.677 21.707 1.00 0.00 C ATOM 704 CG1 ILE A 44 27.360 30.554 22.731 1.00 0.00 C ATOM 705 CG2 ILE A 44 24.894 30.310 22.368 1.00 0.00 C ATOM 706 CD1 ILE A 44 27.035 31.411 23.953 1.00 0.00 C ATOM 0 H ILE A 44 28.022 30.939 19.612 1.00 0.00 H new ATOM 0 HA ILE A 44 26.465 28.696 20.874 1.00 0.00 H new ATOM 0 HB ILE A 44 26.173 31.701 21.339 1.00 0.00 H new ATOM 0 HG12 ILE A 44 27.484 29.512 23.027 1.00 0.00 H new ATOM 0 HG13 ILE A 44 28.304 30.875 22.290 1.00 0.00 H new ATOM 0 HG21 ILE A 44 24.699 30.989 23.198 1.00 0.00 H new ATOM 0 HG22 ILE A 44 24.092 30.394 21.635 1.00 0.00 H new ATOM 0 HG23 ILE A 44 24.940 29.287 22.740 1.00 0.00 H new ATOM 0 HD11 ILE A 44 27.839 31.323 24.684 1.00 0.00 H new ATOM 0 HD12 ILE A 44 26.933 32.453 23.650 1.00 0.00 H new ATOM 0 HD13 ILE A 44 26.101 31.070 24.399 1.00 0.00 H new ATOM 718 N PHE A 45 24.493 29.120 19.358 1.00 0.00 N ATOM 719 CA PHE A 45 23.412 29.275 18.329 1.00 0.00 C ATOM 720 C PHE A 45 22.085 29.450 19.064 1.00 0.00 C ATOM 721 O PHE A 45 21.819 28.781 20.044 1.00 0.00 O ATOM 722 CB PHE A 45 23.350 28.031 17.437 1.00 0.00 C ATOM 723 CG PHE A 45 22.137 28.121 16.537 1.00 0.00 C ATOM 724 CD1 PHE A 45 22.161 28.953 15.411 1.00 0.00 C ATOM 725 CD2 PHE A 45 20.986 27.379 16.833 1.00 0.00 C ATOM 726 CE1 PHE A 45 21.036 29.043 14.582 1.00 0.00 C ATOM 727 CE2 PHE A 45 19.862 27.468 16.003 1.00 0.00 C ATOM 728 CZ PHE A 45 19.887 28.301 14.878 1.00 0.00 C ATOM 0 H PHE A 45 24.378 28.317 19.977 1.00 0.00 H new ATOM 0 HA PHE A 45 23.616 30.140 17.697 1.00 0.00 H new ATOM 0 HB2 PHE A 45 24.257 27.954 16.837 1.00 0.00 H new ATOM 0 HB3 PHE A 45 23.296 27.132 18.051 1.00 0.00 H new ATOM 0 HD1 PHE A 45 23.048 29.526 15.182 1.00 0.00 H new ATOM 0 HD2 PHE A 45 20.966 26.738 17.702 1.00 0.00 H new ATOM 0 HE1 PHE A 45 21.055 29.685 13.714 1.00 0.00 H new ATOM 0 HE2 PHE A 45 18.976 26.894 16.231 1.00 0.00 H new ATOM 0 HZ PHE A 45 19.019 28.371 14.239 1.00 0.00 H new ATOM 738 N ALA A 46 21.251 30.349 18.620 1.00 0.00 N ATOM 739 CA ALA A 46 19.959 30.561 19.326 1.00 0.00 C ATOM 740 C ALA A 46 20.247 30.749 20.819 1.00 0.00 C ATOM 741 O ALA A 46 20.875 31.714 21.213 1.00 0.00 O ATOM 742 CB ALA A 46 19.049 29.346 19.110 1.00 0.00 C ATOM 0 H ALA A 46 21.407 30.942 17.805 1.00 0.00 H new ATOM 0 HA ALA A 46 19.455 31.445 18.935 1.00 0.00 H new ATOM 0 HB1 ALA A 46 18.103 29.503 19.628 1.00 0.00 H new ATOM 0 HB2 ALA A 46 18.862 29.217 18.044 1.00 0.00 H new ATOM 0 HB3 ALA A 46 19.534 28.453 19.504 1.00 0.00 H new ATOM 748 N GLY A 47 19.796 29.845 21.652 1.00 0.00 N ATOM 749 CA GLY A 47 20.039 29.967 23.124 1.00 0.00 C ATOM 750 C GLY A 47 20.744 28.709 23.637 1.00 0.00 C ATOM 751 O GLY A 47 20.581 28.330 24.779 1.00 0.00 O ATOM 0 H GLY A 47 19.265 29.020 21.373 1.00 0.00 H new ATOM 0 HA2 GLY A 47 20.649 30.847 23.330 1.00 0.00 H new ATOM 0 HA3 GLY A 47 19.093 30.105 23.648 1.00 0.00 H new ATOM 755 N LYS A 48 21.540 28.066 22.811 1.00 0.00 N ATOM 756 CA LYS A 48 22.274 26.836 23.264 1.00 0.00 C ATOM 757 C LYS A 48 23.741 26.951 22.892 1.00 0.00 C ATOM 758 O LYS A 48 24.106 27.489 21.865 1.00 0.00 O ATOM 759 CB LYS A 48 21.708 25.558 22.600 1.00 0.00 C ATOM 760 CG LYS A 48 20.424 25.096 23.316 1.00 0.00 C ATOM 761 CD LYS A 48 19.195 25.781 22.699 1.00 0.00 C ATOM 762 CE LYS A 48 18.009 25.695 23.665 1.00 0.00 C ATOM 763 NZ LYS A 48 17.591 24.272 23.814 1.00 0.00 N ATOM 0 H LYS A 48 21.713 28.339 21.844 1.00 0.00 H new ATOM 0 HA LYS A 48 22.150 26.760 24.344 1.00 0.00 H new ATOM 0 HB2 LYS A 48 21.495 25.752 21.549 1.00 0.00 H new ATOM 0 HB3 LYS A 48 22.454 24.764 22.632 1.00 0.00 H new ATOM 0 HG2 LYS A 48 20.324 24.014 23.236 1.00 0.00 H new ATOM 0 HG3 LYS A 48 20.486 25.333 24.378 1.00 0.00 H new ATOM 0 HD2 LYS A 48 19.421 26.824 22.480 1.00 0.00 H new ATOM 0 HD3 LYS A 48 18.939 25.305 21.753 1.00 0.00 H new ATOM 0 HE2 LYS A 48 18.286 26.107 24.635 1.00 0.00 H new ATOM 0 HE3 LYS A 48 17.177 26.292 23.291 1.00 0.00 H new ATOM 0 HZ1 LYS A 48 16.698 24.226 24.344 1.00 0.00 H new ATOM 0 HZ2 LYS A 48 17.457 23.849 22.873 1.00 0.00 H new ATOM 0 HZ3 LYS A 48 18.326 23.746 24.328 1.00 0.00 H new ATOM 777 N GLN A 49 24.575 26.412 23.723 1.00 0.00 N ATOM 778 CA GLN A 49 26.033 26.434 23.449 1.00 0.00 C ATOM 779 C GLN A 49 26.377 25.210 22.620 1.00 0.00 C ATOM 780 O GLN A 49 26.148 24.091 23.029 1.00 0.00 O ATOM 781 CB GLN A 49 26.806 26.394 24.753 1.00 0.00 C ATOM 782 CG GLN A 49 26.291 27.496 25.675 1.00 0.00 C ATOM 783 CD GLN A 49 27.068 27.469 26.993 1.00 0.00 C ATOM 784 OE1 GLN A 49 27.001 26.507 27.732 1.00 0.00 O ATOM 785 NE2 GLN A 49 27.809 28.491 27.320 1.00 0.00 N ATOM 0 H GLN A 49 24.308 25.950 24.592 1.00 0.00 H new ATOM 0 HA GLN A 49 26.298 27.345 22.913 1.00 0.00 H new ATOM 0 HB2 GLN A 49 26.689 25.421 25.229 1.00 0.00 H new ATOM 0 HB3 GLN A 49 27.871 26.530 24.563 1.00 0.00 H new ATOM 0 HG2 GLN A 49 26.404 28.468 25.195 1.00 0.00 H new ATOM 0 HG3 GLN A 49 25.227 27.356 25.866 1.00 0.00 H new ATOM 0 HE21 GLN A 49 27.866 29.299 26.700 1.00 0.00 H new ATOM 0 HE22 GLN A 49 28.332 28.482 28.196 1.00 0.00 H new ATOM 794 N LEU A 50 26.901 25.400 21.450 1.00 0.00 N ATOM 795 CA LEU A 50 27.228 24.226 20.598 1.00 0.00 C ATOM 796 C LEU A 50 28.181 23.299 21.351 1.00 0.00 C ATOM 797 O LEU A 50 29.275 23.680 21.718 1.00 0.00 O ATOM 798 CB LEU A 50 27.872 24.706 19.297 1.00 0.00 C ATOM 799 CG LEU A 50 26.980 25.768 18.643 1.00 0.00 C ATOM 800 CD1 LEU A 50 27.606 26.211 17.320 1.00 0.00 C ATOM 801 CD2 LEU A 50 25.579 25.188 18.382 1.00 0.00 C ATOM 0 H LEU A 50 27.118 26.311 21.045 1.00 0.00 H new ATOM 0 HA LEU A 50 26.317 23.677 20.361 1.00 0.00 H new ATOM 0 HB2 LEU A 50 28.860 25.121 19.500 1.00 0.00 H new ATOM 0 HB3 LEU A 50 28.012 23.866 18.617 1.00 0.00 H new ATOM 0 HG LEU A 50 26.892 26.625 19.311 1.00 0.00 H new ATOM 0 HD11 LEU A 50 26.974 26.966 16.853 1.00 0.00 H new ATOM 0 HD12 LEU A 50 28.594 26.631 17.508 1.00 0.00 H new ATOM 0 HD13 LEU A 50 27.697 25.352 16.655 1.00 0.00 H new ATOM 0 HD21 LEU A 50 24.951 25.948 17.917 1.00 0.00 H new ATOM 0 HD22 LEU A 50 25.659 24.328 17.717 1.00 0.00 H new ATOM 0 HD23 LEU A 50 25.133 24.876 19.326 1.00 0.00 H new ATOM 813 N GLU A 51 27.770 22.076 21.586 1.00 0.00 N ATOM 814 CA GLU A 51 28.641 21.107 22.316 1.00 0.00 C ATOM 815 C GLU A 51 29.402 20.247 21.305 1.00 0.00 C ATOM 816 O GLU A 51 29.124 20.264 20.125 1.00 0.00 O ATOM 817 CB GLU A 51 27.774 20.209 23.204 1.00 0.00 C ATOM 818 CG GLU A 51 26.941 21.074 24.149 1.00 0.00 C ATOM 819 CD GLU A 51 25.892 20.204 24.847 1.00 0.00 C ATOM 820 OE1 GLU A 51 24.828 20.027 24.280 1.00 0.00 O ATOM 821 OE2 GLU A 51 26.173 19.733 25.937 1.00 0.00 O ATOM 0 H GLU A 51 26.863 21.707 21.301 1.00 0.00 H new ATOM 0 HA GLU A 51 29.352 21.652 22.937 1.00 0.00 H new ATOM 0 HB2 GLU A 51 27.120 19.593 22.587 1.00 0.00 H new ATOM 0 HB3 GLU A 51 28.405 19.529 23.777 1.00 0.00 H new ATOM 0 HG2 GLU A 51 27.586 21.548 24.889 1.00 0.00 H new ATOM 0 HG3 GLU A 51 26.453 21.874 23.592 1.00 0.00 H new ATOM 828 N ASP A 52 30.369 19.502 21.761 1.00 0.00 N ATOM 829 CA ASP A 52 31.170 18.649 20.830 1.00 0.00 C ATOM 830 C ASP A 52 30.573 17.243 20.711 1.00 0.00 C ATOM 831 O ASP A 52 30.124 16.662 21.680 1.00 0.00 O ATOM 832 CB ASP A 52 32.597 18.529 21.372 1.00 0.00 C ATOM 833 CG ASP A 52 33.185 19.924 21.586 1.00 0.00 C ATOM 834 OD1 ASP A 52 32.620 20.669 22.372 1.00 0.00 O ATOM 835 OD2 ASP A 52 34.189 20.224 20.963 1.00 0.00 O ATOM 0 H ASP A 52 30.643 19.445 22.742 1.00 0.00 H new ATOM 0 HA ASP A 52 31.163 19.115 19.845 1.00 0.00 H new ATOM 0 HB2 ASP A 52 32.594 17.977 22.312 1.00 0.00 H new ATOM 0 HB3 ASP A 52 33.216 17.966 20.673 1.00 0.00 H new ATOM 840 N GLY A 53 30.605 16.675 19.524 1.00 0.00 N ATOM 841 CA GLY A 53 30.084 15.280 19.328 1.00 0.00 C ATOM 842 C GLY A 53 28.657 15.277 18.752 1.00 0.00 C ATOM 843 O GLY A 53 28.041 14.235 18.651 1.00 0.00 O ATOM 0 H GLY A 53 30.970 17.119 18.681 1.00 0.00 H new ATOM 0 HA2 GLY A 53 30.748 14.735 18.657 1.00 0.00 H new ATOM 0 HA3 GLY A 53 30.092 14.752 20.282 1.00 0.00 H new ATOM 847 N ARG A 54 28.120 16.422 18.385 1.00 0.00 N ATOM 848 CA ARG A 54 26.721 16.468 17.824 1.00 0.00 C ATOM 849 C ARG A 54 26.746 17.079 16.411 1.00 0.00 C ATOM 850 O ARG A 54 27.764 17.562 15.950 1.00 0.00 O ATOM 851 CB ARG A 54 25.823 17.300 18.755 1.00 0.00 C ATOM 852 CG ARG A 54 25.822 16.673 20.165 1.00 0.00 C ATOM 853 CD ARG A 54 25.213 17.639 21.213 1.00 0.00 C ATOM 854 NE ARG A 54 23.820 17.204 21.615 1.00 0.00 N ATOM 855 CZ ARG A 54 23.406 17.359 22.868 1.00 0.00 C ATOM 856 NH1 ARG A 54 22.173 17.091 23.206 1.00 0.00 N ATOM 857 NH2 ARG A 54 24.230 17.761 23.793 1.00 0.00 N ATOM 0 H ARG A 54 28.588 17.326 18.449 1.00 0.00 H new ATOM 0 HA ARG A 54 26.320 15.457 17.758 1.00 0.00 H new ATOM 0 HB2 ARG A 54 26.184 18.328 18.803 1.00 0.00 H new ATOM 0 HB3 ARG A 54 24.807 17.337 18.361 1.00 0.00 H new ATOM 0 HG2 ARG A 54 25.253 15.743 20.151 1.00 0.00 H new ATOM 0 HG3 ARG A 54 26.842 16.418 20.452 1.00 0.00 H new ATOM 0 HD2 ARG A 54 25.854 17.675 22.094 1.00 0.00 H new ATOM 0 HD3 ARG A 54 25.177 18.648 20.803 1.00 0.00 H new ATOM 0 HE ARG A 54 23.197 16.790 20.921 1.00 0.00 H new ATOM 0 HH11 ARG A 54 21.513 16.758 22.504 1.00 0.00 H new ATOM 0 HH12 ARG A 54 21.871 17.215 24.172 1.00 0.00 H new ATOM 0 HH21 ARG A 54 25.203 17.960 23.558 1.00 0.00 H new ATOM 0 HH22 ARG A 54 23.903 17.877 24.752 1.00 0.00 H new ATOM 871 N THR A 55 25.635 17.033 15.705 1.00 0.00 N ATOM 872 CA THR A 55 25.587 17.580 14.304 1.00 0.00 C ATOM 873 C THR A 55 24.817 18.904 14.259 1.00 0.00 C ATOM 874 O THR A 55 23.900 19.128 15.022 1.00 0.00 O ATOM 875 CB THR A 55 24.880 16.569 13.400 1.00 0.00 C ATOM 876 OG1 THR A 55 23.654 16.177 14.003 1.00 0.00 O ATOM 877 CG2 THR A 55 25.773 15.344 13.210 1.00 0.00 C ATOM 0 H THR A 55 24.756 16.639 16.040 1.00 0.00 H new ATOM 0 HA THR A 55 26.608 17.756 13.964 1.00 0.00 H new ATOM 0 HB THR A 55 24.679 17.023 12.429 1.00 0.00 H new ATOM 0 HG1 THR A 55 22.908 16.422 13.417 1.00 0.00 H new ATOM 0 HG21 THR A 55 25.270 14.623 12.566 1.00 0.00 H new ATOM 0 HG22 THR A 55 26.713 15.647 12.750 1.00 0.00 H new ATOM 0 HG23 THR A 55 25.974 14.887 14.179 1.00 0.00 H new ATOM 885 N LEU A 56 25.185 19.777 13.355 1.00 0.00 N ATOM 886 CA LEU A 56 24.482 21.092 13.238 1.00 0.00 C ATOM 887 C LEU A 56 22.979 20.856 13.026 1.00 0.00 C ATOM 888 O LEU A 56 22.153 21.586 13.531 1.00 0.00 O ATOM 889 CB LEU A 56 25.066 21.874 12.042 1.00 0.00 C ATOM 890 CG LEU A 56 26.269 22.709 12.497 1.00 0.00 C ATOM 891 CD1 LEU A 56 27.367 21.787 13.029 1.00 0.00 C ATOM 892 CD2 LEU A 56 26.810 23.512 11.309 1.00 0.00 C ATOM 0 H LEU A 56 25.945 19.635 12.690 1.00 0.00 H new ATOM 0 HA LEU A 56 24.625 21.668 14.152 1.00 0.00 H new ATOM 0 HB2 LEU A 56 25.370 21.181 11.258 1.00 0.00 H new ATOM 0 HB3 LEU A 56 24.303 22.524 11.615 1.00 0.00 H new ATOM 0 HG LEU A 56 25.956 23.390 13.288 1.00 0.00 H new ATOM 0 HD11 LEU A 56 28.220 22.385 13.351 1.00 0.00 H new ATOM 0 HD12 LEU A 56 26.984 21.216 13.875 1.00 0.00 H new ATOM 0 HD13 LEU A 56 27.681 21.102 12.241 1.00 0.00 H new ATOM 0 HD21 LEU A 56 27.665 24.106 11.631 1.00 0.00 H new ATOM 0 HD22 LEU A 56 27.120 22.828 10.519 1.00 0.00 H new ATOM 0 HD23 LEU A 56 26.030 24.173 10.932 1.00 0.00 H new ATOM 904 N SER A 57 22.620 19.844 12.286 1.00 0.00 N ATOM 905 CA SER A 57 21.172 19.572 12.053 1.00 0.00 C ATOM 906 C SER A 57 20.493 19.282 13.394 1.00 0.00 C ATOM 907 O SER A 57 19.291 19.393 13.534 1.00 0.00 O ATOM 908 CB SER A 57 21.019 18.361 11.132 1.00 0.00 C ATOM 909 OG SER A 57 21.501 17.201 11.798 1.00 0.00 O ATOM 0 H SER A 57 23.264 19.195 11.833 1.00 0.00 H new ATOM 0 HA SER A 57 20.708 20.440 11.586 1.00 0.00 H new ATOM 0 HB2 SER A 57 19.973 18.228 10.857 1.00 0.00 H new ATOM 0 HB3 SER A 57 21.574 18.520 10.207 1.00 0.00 H new ATOM 0 HG SER A 57 21.403 16.422 11.211 1.00 0.00 H new ATOM 915 N ASP A 58 21.260 18.899 14.378 1.00 0.00 N ATOM 916 CA ASP A 58 20.666 18.587 15.706 1.00 0.00 C ATOM 917 C ASP A 58 20.063 19.857 16.303 1.00 0.00 C ATOM 918 O ASP A 58 19.271 19.806 17.223 1.00 0.00 O ATOM 919 CB ASP A 58 21.746 18.041 16.641 1.00 0.00 C ATOM 920 CG ASP A 58 21.094 17.530 17.928 1.00 0.00 C ATOM 921 OD1 ASP A 58 20.698 18.355 18.736 1.00 0.00 O ATOM 922 OD2 ASP A 58 20.999 16.324 18.083 1.00 0.00 O ATOM 0 H ASP A 58 22.272 18.789 14.318 1.00 0.00 H new ATOM 0 HA ASP A 58 19.886 17.836 15.586 1.00 0.00 H new ATOM 0 HB2 ASP A 58 22.292 17.234 16.152 1.00 0.00 H new ATOM 0 HB3 ASP A 58 22.471 18.822 16.873 1.00 0.00 H new ATOM 927 N TYR A 59 20.445 21.000 15.792 1.00 0.00 N ATOM 928 CA TYR A 59 19.914 22.292 16.331 1.00 0.00 C ATOM 929 C TYR A 59 18.852 22.872 15.387 1.00 0.00 C ATOM 930 O TYR A 59 18.423 23.994 15.561 1.00 0.00 O ATOM 931 CB TYR A 59 21.078 23.290 16.451 1.00 0.00 C ATOM 932 CG TYR A 59 21.795 23.097 17.768 1.00 0.00 C ATOM 933 CD1 TYR A 59 23.119 22.644 17.793 1.00 0.00 C ATOM 934 CD2 TYR A 59 21.135 23.397 18.965 1.00 0.00 C ATOM 935 CE1 TYR A 59 23.781 22.490 19.019 1.00 0.00 C ATOM 936 CE2 TYR A 59 21.794 23.238 20.188 1.00 0.00 C ATOM 937 CZ TYR A 59 23.117 22.786 20.216 1.00 0.00 C ATOM 938 OH TYR A 59 23.769 22.636 21.422 1.00 0.00 O ATOM 0 H TYR A 59 21.105 21.096 15.020 1.00 0.00 H new ATOM 0 HA TYR A 59 19.458 22.114 17.305 1.00 0.00 H new ATOM 0 HB2 TYR A 59 21.775 23.149 15.625 1.00 0.00 H new ATOM 0 HB3 TYR A 59 20.701 24.310 16.379 1.00 0.00 H new ATOM 0 HD1 TYR A 59 23.630 22.414 16.870 1.00 0.00 H new ATOM 0 HD2 TYR A 59 20.115 23.752 18.944 1.00 0.00 H new ATOM 0 HE1 TYR A 59 24.803 22.143 19.040 1.00 0.00 H new ATOM 0 HE2 TYR A 59 21.281 23.464 21.111 1.00 0.00 H new ATOM 0 HH TYR A 59 24.458 23.327 21.509 1.00 0.00 H new ATOM 948 N ASN A 60 18.426 22.144 14.390 1.00 0.00 N ATOM 949 CA ASN A 60 17.400 22.701 13.462 1.00 0.00 C ATOM 950 C ASN A 60 17.919 24.007 12.853 1.00 0.00 C ATOM 951 O ASN A 60 17.230 25.007 12.816 1.00 0.00 O ATOM 952 CB ASN A 60 16.102 22.969 14.231 1.00 0.00 C ATOM 953 CG ASN A 60 14.949 23.152 13.243 1.00 0.00 C ATOM 954 OD1 ASN A 60 14.896 22.494 12.223 1.00 0.00 O ATOM 955 ND2 ASN A 60 14.017 24.028 13.503 1.00 0.00 N ATOM 0 H ASN A 60 18.740 21.197 14.179 1.00 0.00 H new ATOM 0 HA ASN A 60 17.203 21.984 12.665 1.00 0.00 H new ATOM 0 HB2 ASN A 60 15.889 22.139 14.905 1.00 0.00 H new ATOM 0 HB3 ASN A 60 16.211 23.861 14.848 1.00 0.00 H new ATOM 0 HD21 ASN A 60 13.245 24.160 12.850 1.00 0.00 H new ATOM 0 HD22 ASN A 60 14.061 24.581 14.359 1.00 0.00 H new ATOM 962 N ILE A 61 19.133 24.000 12.374 1.00 0.00 N ATOM 963 CA ILE A 61 19.714 25.231 11.764 1.00 0.00 C ATOM 964 C ILE A 61 19.195 25.373 10.325 1.00 0.00 C ATOM 965 O ILE A 61 18.513 24.504 9.818 1.00 0.00 O ATOM 966 CB ILE A 61 21.247 25.109 11.788 1.00 0.00 C ATOM 967 CG1 ILE A 61 21.724 25.192 13.243 1.00 0.00 C ATOM 968 CG2 ILE A 61 21.895 26.240 10.980 1.00 0.00 C ATOM 969 CD1 ILE A 61 23.188 24.751 13.339 1.00 0.00 C ATOM 0 H ILE A 61 19.752 23.189 12.379 1.00 0.00 H new ATOM 0 HA ILE A 61 19.420 26.119 12.324 1.00 0.00 H new ATOM 0 HB ILE A 61 21.535 24.156 11.343 1.00 0.00 H new ATOM 0 HG12 ILE A 61 21.618 26.212 13.612 1.00 0.00 H new ATOM 0 HG13 ILE A 61 21.102 24.558 13.875 1.00 0.00 H new ATOM 0 HG21 ILE A 61 22.979 26.134 11.011 1.00 0.00 H new ATOM 0 HG22 ILE A 61 21.555 26.190 9.946 1.00 0.00 H new ATOM 0 HG23 ILE A 61 21.612 27.202 11.409 1.00 0.00 H new ATOM 0 HD11 ILE A 61 23.519 24.813 14.376 1.00 0.00 H new ATOM 0 HD12 ILE A 61 23.282 23.723 12.989 1.00 0.00 H new ATOM 0 HD13 ILE A 61 23.806 25.403 12.721 1.00 0.00 H new ATOM 981 N GLN A 62 19.508 26.456 9.659 1.00 0.00 N ATOM 982 CA GLN A 62 19.030 26.639 8.256 1.00 0.00 C ATOM 983 C GLN A 62 19.997 27.546 7.485 1.00 0.00 C ATOM 984 O GLN A 62 20.712 28.357 8.054 1.00 0.00 O ATOM 985 CB GLN A 62 17.629 27.259 8.265 1.00 0.00 C ATOM 986 CG GLN A 62 17.636 28.538 9.103 1.00 0.00 C ATOM 987 CD GLN A 62 16.204 29.053 9.262 1.00 0.00 C ATOM 988 OE1 GLN A 62 15.541 29.350 8.288 1.00 0.00 O ATOM 989 NE2 GLN A 62 15.696 29.172 10.458 1.00 0.00 N ATOM 0 H GLN A 62 20.074 27.221 10.027 1.00 0.00 H new ATOM 0 HA GLN A 62 18.990 25.667 7.764 1.00 0.00 H new ATOM 0 HB2 GLN A 62 17.313 27.482 7.246 1.00 0.00 H new ATOM 0 HB3 GLN A 62 16.909 26.549 8.673 1.00 0.00 H new ATOM 0 HG2 GLN A 62 18.074 28.342 10.082 1.00 0.00 H new ATOM 0 HG3 GLN A 62 18.255 29.296 8.623 1.00 0.00 H new ATOM 0 HE21 GLN A 62 16.253 28.923 11.276 1.00 0.00 H new ATOM 0 HE22 GLN A 62 14.742 29.514 10.575 1.00 0.00 H new ATOM 998 N LYS A 63 20.034 27.405 6.190 1.00 0.00 N ATOM 999 CA LYS A 63 20.956 28.238 5.373 1.00 0.00 C ATOM 1000 C LYS A 63 20.720 29.722 5.660 1.00 0.00 C ATOM 1001 O LYS A 63 19.620 30.140 5.954 1.00 0.00 O ATOM 1002 CB LYS A 63 20.715 27.960 3.885 1.00 0.00 C ATOM 1003 CG LYS A 63 19.246 28.213 3.537 1.00 0.00 C ATOM 1004 CD LYS A 63 19.026 27.939 2.047 1.00 0.00 C ATOM 1005 CE LYS A 63 17.550 28.140 1.698 1.00 0.00 C ATOM 1006 NZ LYS A 63 17.178 29.567 1.910 1.00 0.00 N ATOM 0 H LYS A 63 19.463 26.746 5.661 1.00 0.00 H new ATOM 0 HA LYS A 63 21.984 27.986 5.631 1.00 0.00 H new ATOM 0 HB2 LYS A 63 21.356 28.599 3.278 1.00 0.00 H new ATOM 0 HB3 LYS A 63 20.980 26.929 3.651 1.00 0.00 H new ATOM 0 HG2 LYS A 63 18.602 27.569 4.136 1.00 0.00 H new ATOM 0 HG3 LYS A 63 18.976 29.242 3.773 1.00 0.00 H new ATOM 0 HD2 LYS A 63 19.645 28.608 1.449 1.00 0.00 H new ATOM 0 HD3 LYS A 63 19.331 26.921 1.806 1.00 0.00 H new ATOM 0 HE2 LYS A 63 17.369 27.856 0.661 1.00 0.00 H new ATOM 0 HE3 LYS A 63 16.928 27.495 2.318 1.00 0.00 H new ATOM 0 HZ1 LYS A 63 16.287 29.771 1.414 1.00 0.00 H new ATOM 0 HZ2 LYS A 63 17.057 29.747 2.927 1.00 0.00 H new ATOM 0 HZ3 LYS A 63 17.930 30.181 1.537 1.00 0.00 H new ATOM 1020 N GLU A 64 21.764 30.508 5.576 1.00 0.00 N ATOM 1021 CA GLU A 64 21.666 31.979 5.830 1.00 0.00 C ATOM 1022 C GLU A 64 21.396 32.268 7.311 1.00 0.00 C ATOM 1023 O GLU A 64 21.057 33.377 7.674 1.00 0.00 O ATOM 1024 CB GLU A 64 20.567 32.608 4.964 1.00 0.00 C ATOM 1025 CG GLU A 64 20.731 32.144 3.514 1.00 0.00 C ATOM 1026 CD GLU A 64 19.746 32.898 2.620 1.00 0.00 C ATOM 1027 OE1 GLU A 64 18.618 33.087 3.042 1.00 0.00 O ATOM 1028 OE2 GLU A 64 20.138 33.274 1.527 1.00 0.00 O ATOM 0 H GLU A 64 22.701 30.184 5.337 1.00 0.00 H new ATOM 0 HA GLU A 64 22.624 32.425 5.561 1.00 0.00 H new ATOM 0 HB2 GLU A 64 19.585 32.322 5.340 1.00 0.00 H new ATOM 0 HB3 GLU A 64 20.624 33.695 5.018 1.00 0.00 H new ATOM 0 HG2 GLU A 64 21.752 32.322 3.178 1.00 0.00 H new ATOM 0 HG3 GLU A 64 20.554 31.071 3.443 1.00 0.00 H new HETATM 1035 N SEP A 65 21.578 31.308 8.184 1.00 0.00 N HETATM 1036 CA SEP A 65 21.365 31.585 9.637 1.00 0.00 C HETATM 1037 CB SEP A 65 21.075 30.273 10.376 1.00 0.00 C HETATM 1038 OG SEP A 65 19.686 29.995 10.299 1.00 0.00 O HETATM 1039 C SEP A 65 22.644 32.226 10.194 1.00 0.00 C HETATM 1040 O SEP A 65 23.732 31.952 9.724 1.00 0.00 O HETATM 1041 P SEP A 65 18.708 30.688 11.261 1.00 0.00 P HETATM 1042 O1P SEP A 65 17.552 31.233 10.353 1.00 0.00 O HETATM 1043 O2P SEP A 65 18.241 29.568 12.252 1.00 0.00 O HETATM 1044 O3P SEP A 65 19.541 31.821 11.951 1.00 0.00 O HETATM 0 HB3 SEP A 65 21.647 29.458 9.933 1.00 0.00 H new HETATM 0 HB2 SEP A 65 21.386 30.351 11.418 1.00 0.00 H new HETATM 0 HA SEP A 65 20.518 32.257 9.774 1.00 0.00 H new HETATM 0 H SEP A 65 21.518 30.352 7.833 1.00 0.00 H new HETATM 1049 N TPO A 66 22.526 33.086 11.181 1.00 0.00 N HETATM 1050 CA TPO A 66 23.745 33.753 11.753 1.00 0.00 C HETATM 1051 CB TPO A 66 23.500 35.257 11.894 1.00 0.00 C HETATM 1052 CG2 TPO A 66 22.884 35.806 10.608 1.00 0.00 C HETATM 1053 OG1 TPO A 66 22.618 35.493 12.986 1.00 0.00 O HETATM 1054 P TPO A 66 22.737 36.783 13.819 1.00 0.00 P HETATM 1055 O1P TPO A 66 21.376 36.908 14.585 1.00 0.00 O HETATM 1056 O2P TPO A 66 23.963 36.552 14.766 1.00 0.00 O HETATM 1057 O3P TPO A 66 22.967 37.930 12.775 1.00 0.00 O HETATM 1058 C TPO A 66 24.073 33.179 13.133 1.00 0.00 C HETATM 1059 O TPO A 66 23.229 33.098 14.003 1.00 0.00 O HETATM 0 HG23 TPO A 66 23.564 35.629 9.775 1.00 0.00 H new HETATM 0 HG22 TPO A 66 21.936 35.304 10.416 1.00 0.00 H new HETATM 0 HG21 TPO A 66 22.712 36.877 10.715 1.00 0.00 H new HETATM 0 HB TPO A 66 24.449 35.761 12.077 1.00 0.00 H new HETATM 0 HA TPO A 66 24.580 33.572 11.076 1.00 0.00 H new HETATM 0 H TPO A 66 21.702 33.641 10.951 1.00 0.00 H new ATOM 1066 N LEU A 67 25.306 32.787 13.335 1.00 0.00 N ATOM 1067 CA LEU A 67 25.721 32.221 14.654 1.00 0.00 C ATOM 1068 C LEU A 67 26.337 33.338 15.505 1.00 0.00 C ATOM 1069 O LEU A 67 26.968 34.241 14.992 1.00 0.00 O ATOM 1070 CB LEU A 67 26.773 31.128 14.430 1.00 0.00 C ATOM 1071 CG LEU A 67 26.098 29.847 13.931 1.00 0.00 C ATOM 1072 CD1 LEU A 67 25.334 30.130 12.633 1.00 0.00 C ATOM 1073 CD2 LEU A 67 27.170 28.783 13.672 1.00 0.00 C ATOM 0 H LEU A 67 26.048 32.835 12.637 1.00 0.00 H new ATOM 0 HA LEU A 67 24.854 31.799 15.161 1.00 0.00 H new ATOM 0 HB2 LEU A 67 27.512 31.466 13.704 1.00 0.00 H new ATOM 0 HB3 LEU A 67 27.307 30.929 15.359 1.00 0.00 H new ATOM 0 HG LEU A 67 25.397 29.490 14.685 1.00 0.00 H new ATOM 0 HD11 LEU A 67 24.857 29.214 12.285 1.00 0.00 H new ATOM 0 HD12 LEU A 67 24.573 30.888 12.817 1.00 0.00 H new ATOM 0 HD13 LEU A 67 26.028 30.489 11.873 1.00 0.00 H new ATOM 0 HD21 LEU A 67 26.696 27.868 13.316 1.00 0.00 H new ATOM 0 HD22 LEU A 67 27.869 29.146 12.918 1.00 0.00 H new ATOM 0 HD23 LEU A 67 27.709 28.577 14.597 1.00 0.00 H new ATOM 1085 N HIS A 68 26.171 33.276 16.800 1.00 0.00 N ATOM 1086 CA HIS A 68 26.759 34.327 17.684 1.00 0.00 C ATOM 1087 C HIS A 68 28.155 33.886 18.109 1.00 0.00 C ATOM 1088 O HIS A 68 28.354 32.753 18.502 1.00 0.00 O ATOM 1089 CB HIS A 68 25.895 34.493 18.935 1.00 0.00 C ATOM 1090 CG HIS A 68 24.440 34.428 18.557 1.00 0.00 C ATOM 1091 ND1 HIS A 68 23.791 33.226 18.308 1.00 0.00 N ATOM 1092 CD2 HIS A 68 23.493 35.409 18.384 1.00 0.00 C ATOM 1093 CE1 HIS A 68 22.512 33.512 18.000 1.00 0.00 C ATOM 1094 NE2 HIS A 68 22.281 34.826 18.032 1.00 0.00 N ATOM 0 H HIS A 68 25.653 32.543 17.285 1.00 0.00 H new ATOM 0 HA HIS A 68 26.805 35.273 17.144 1.00 0.00 H new ATOM 0 HB2 HIS A 68 26.129 33.710 19.657 1.00 0.00 H new ATOM 0 HB3 HIS A 68 26.114 35.446 19.416 1.00 0.00 H new ATOM 0 HD1 HIS A 68 24.207 32.296 18.351 1.00 0.00 H new ATOM 0 HD2 HIS A 68 23.664 36.469 18.503 1.00 0.00 H new ATOM 0 HE1 HIS A 68 21.766 32.770 17.757 1.00 0.00 H new ATOM 1103 N LEU A 69 29.123 34.764 18.034 1.00 0.00 N ATOM 1104 CA LEU A 69 30.514 34.387 18.437 1.00 0.00 C ATOM 1105 C LEU A 69 30.906 35.117 19.723 1.00 0.00 C ATOM 1106 O LEU A 69 30.875 36.329 19.794 1.00 0.00 O ATOM 1107 CB LEU A 69 31.486 34.771 17.309 1.00 0.00 C ATOM 1108 CG LEU A 69 32.932 34.309 17.647 1.00 0.00 C ATOM 1109 CD1 LEU A 69 33.643 33.839 16.374 1.00 0.00 C ATOM 1110 CD2 LEU A 69 33.746 35.465 18.258 1.00 0.00 C ATOM 0 H LEU A 69 29.011 35.725 17.711 1.00 0.00 H new ATOM 0 HA LEU A 69 30.559 33.313 18.615 1.00 0.00 H new ATOM 0 HB2 LEU A 69 31.163 34.315 16.373 1.00 0.00 H new ATOM 0 HB3 LEU A 69 31.470 35.851 17.160 1.00 0.00 H new ATOM 0 HG LEU A 69 32.863 33.492 18.365 1.00 0.00 H new ATOM 0 HD11 LEU A 69 34.655 33.517 16.620 1.00 0.00 H new ATOM 0 HD12 LEU A 69 33.093 33.005 15.937 1.00 0.00 H new ATOM 0 HD13 LEU A 69 33.687 34.660 15.658 1.00 0.00 H new ATOM 0 HD21 LEU A 69 34.754 35.119 18.487 1.00 0.00 H new ATOM 0 HD22 LEU A 69 33.798 36.289 17.547 1.00 0.00 H new ATOM 0 HD23 LEU A 69 33.263 35.806 19.174 1.00 0.00 H new ATOM 1122 N VAL A 70 31.288 34.377 20.738 1.00 0.00 N ATOM 1123 CA VAL A 70 31.707 34.996 22.037 1.00 0.00 C ATOM 1124 C VAL A 70 33.095 34.451 22.409 1.00 0.00 C ATOM 1125 O VAL A 70 33.423 33.322 22.105 1.00 0.00 O ATOM 1126 CB VAL A 70 30.691 34.623 23.120 1.00 0.00 C ATOM 1127 CG1 VAL A 70 31.026 35.366 24.414 1.00 0.00 C ATOM 1128 CG2 VAL A 70 29.285 35.015 22.656 1.00 0.00 C ATOM 0 H VAL A 70 31.328 33.358 20.721 1.00 0.00 H new ATOM 0 HA VAL A 70 31.750 36.082 21.948 1.00 0.00 H new ATOM 0 HB VAL A 70 30.730 33.548 23.299 1.00 0.00 H new ATOM 0 HG11 VAL A 70 30.302 35.100 25.184 1.00 0.00 H new ATOM 0 HG12 VAL A 70 32.027 35.088 24.745 1.00 0.00 H new ATOM 0 HG13 VAL A 70 30.988 36.441 24.237 1.00 0.00 H new ATOM 0 HG21 VAL A 70 28.561 34.750 23.426 1.00 0.00 H new ATOM 0 HG22 VAL A 70 29.247 36.090 22.477 1.00 0.00 H new ATOM 0 HG23 VAL A 70 29.045 34.485 21.734 1.00 0.00 H new ATOM 1138 N LEU A 71 33.921 35.242 23.049 1.00 0.00 N ATOM 1139 CA LEU A 71 35.294 34.757 23.418 1.00 0.00 C ATOM 1140 C LEU A 71 35.281 34.178 24.839 1.00 0.00 C ATOM 1141 O LEU A 71 34.442 34.523 25.647 1.00 0.00 O ATOM 1142 CB LEU A 71 36.274 35.937 23.357 1.00 0.00 C ATOM 1143 CG LEU A 71 36.749 36.145 21.919 1.00 0.00 C ATOM 1144 CD1 LEU A 71 35.535 36.334 21.010 1.00 0.00 C ATOM 1145 CD2 LEU A 71 37.640 37.388 21.854 1.00 0.00 C ATOM 0 H LEU A 71 33.708 36.199 23.332 1.00 0.00 H new ATOM 0 HA LEU A 71 35.603 33.979 22.720 1.00 0.00 H new ATOM 0 HB2 LEU A 71 35.790 36.842 23.724 1.00 0.00 H new ATOM 0 HB3 LEU A 71 37.128 35.746 24.007 1.00 0.00 H new ATOM 0 HG LEU A 71 37.318 35.276 21.589 1.00 0.00 H new ATOM 0 HD11 LEU A 71 35.869 36.483 19.983 1.00 0.00 H new ATOM 0 HD12 LEU A 71 34.901 35.449 21.061 1.00 0.00 H new ATOM 0 HD13 LEU A 71 34.968 37.206 21.337 1.00 0.00 H new ATOM 0 HD21 LEU A 71 37.980 37.539 20.829 1.00 0.00 H new ATOM 0 HD22 LEU A 71 37.073 38.260 22.180 1.00 0.00 H new ATOM 0 HD23 LEU A 71 38.503 37.252 22.506 1.00 0.00 H new ATOM 1157 N ARG A 72 36.207 33.298 25.151 1.00 0.00 N ATOM 1158 CA ARG A 72 36.233 32.708 26.527 1.00 0.00 C ATOM 1159 C ARG A 72 36.342 33.834 27.554 1.00 0.00 C ATOM 1160 O ARG A 72 37.238 34.656 27.497 1.00 0.00 O ATOM 1161 CB ARG A 72 37.435 31.731 26.723 1.00 0.00 C ATOM 1162 CG ARG A 72 37.452 31.292 28.211 1.00 0.00 C ATOM 1163 CD ARG A 72 38.416 30.109 28.567 1.00 0.00 C ATOM 1164 NE ARG A 72 39.468 29.814 27.518 1.00 0.00 N ATOM 1165 CZ ARG A 72 40.748 29.706 27.874 1.00 0.00 C ATOM 1166 NH1 ARG A 72 41.613 29.119 27.091 1.00 0.00 N ATOM 1167 NH2 ARG A 72 41.176 30.219 28.998 1.00 0.00 N ATOM 0 H ARG A 72 36.937 32.967 24.520 1.00 0.00 H new ATOM 0 HA ARG A 72 35.311 32.143 26.663 1.00 0.00 H new ATOM 0 HB2 ARG A 72 37.333 30.864 26.070 1.00 0.00 H new ATOM 0 HB3 ARG A 72 38.372 32.221 26.458 1.00 0.00 H new ATOM 0 HG2 ARG A 72 37.726 32.153 28.820 1.00 0.00 H new ATOM 0 HG3 ARG A 72 36.439 31.008 28.497 1.00 0.00 H new ATOM 0 HD2 ARG A 72 38.915 30.336 29.509 1.00 0.00 H new ATOM 0 HD3 ARG A 72 37.822 29.210 28.729 1.00 0.00 H new ATOM 0 HE ARG A 72 39.198 29.698 26.541 1.00 0.00 H new ATOM 0 HH11 ARG A 72 41.312 28.736 26.195 1.00 0.00 H new ATOM 0 HH12 ARG A 72 42.589 29.043 27.376 1.00 0.00 H new ATOM 0 HH21 ARG A 72 40.528 30.709 29.614 1.00 0.00 H new ATOM 0 HH22 ARG A 72 42.158 30.129 29.258 1.00 0.00 H new ATOM 1181 N LEU A 73 35.454 33.867 28.507 1.00 0.00 N ATOM 1182 CA LEU A 73 35.533 34.915 29.558 1.00 0.00 C ATOM 1183 C LEU A 73 36.767 34.626 30.403 1.00 0.00 C ATOM 1184 O LEU A 73 36.995 33.504 30.808 1.00 0.00 O ATOM 1185 CB LEU A 73 34.289 34.841 30.448 1.00 0.00 C ATOM 1186 CG LEU A 73 33.033 34.805 29.575 1.00 0.00 C ATOM 1187 CD1 LEU A 73 31.794 34.894 30.468 1.00 0.00 C ATOM 1188 CD2 LEU A 73 33.050 35.987 28.594 1.00 0.00 C ATOM 0 H LEU A 73 34.677 33.213 28.603 1.00 0.00 H new ATOM 0 HA LEU A 73 35.591 35.906 29.108 1.00 0.00 H new ATOM 0 HB2 LEU A 73 34.332 33.952 31.077 1.00 0.00 H new ATOM 0 HB3 LEU A 73 34.255 35.702 31.115 1.00 0.00 H new ATOM 0 HG LEU A 73 33.009 33.873 29.010 1.00 0.00 H new ATOM 0 HD11 LEU A 73 30.897 34.869 29.849 1.00 0.00 H new ATOM 0 HD12 LEU A 73 31.782 34.051 31.159 1.00 0.00 H new ATOM 0 HD13 LEU A 73 31.819 35.826 31.033 1.00 0.00 H new ATOM 0 HD21 LEU A 73 32.154 35.958 27.974 1.00 0.00 H new ATOM 0 HD22 LEU A 73 33.075 36.923 29.152 1.00 0.00 H new ATOM 0 HD23 LEU A 73 33.933 35.920 27.959 1.00 0.00 H new ATOM 1200 N ARG A 74 37.574 35.610 30.673 1.00 0.00 N ATOM 1201 CA ARG A 74 38.794 35.358 31.499 1.00 0.00 C ATOM 1202 C ARG A 74 39.522 36.682 31.737 1.00 0.00 C ATOM 1203 O ARG A 74 40.014 37.307 30.819 1.00 0.00 O ATOM 1204 CB ARG A 74 39.716 34.347 30.766 1.00 0.00 C ATOM 1205 CG ARG A 74 40.122 33.166 31.695 1.00 0.00 C ATOM 1206 CD ARG A 74 41.238 33.597 32.687 1.00 0.00 C ATOM 1207 NE ARG A 74 40.848 33.313 34.114 1.00 0.00 N ATOM 1208 CZ ARG A 74 41.228 34.128 35.087 1.00 0.00 C ATOM 1209 NH1 ARG A 74 40.994 33.822 36.333 1.00 0.00 N ATOM 1210 NH2 ARG A 74 41.821 35.257 34.820 1.00 0.00 N ATOM 0 H ARG A 74 37.447 36.573 30.362 1.00 0.00 H new ATOM 0 HA ARG A 74 38.513 34.933 32.463 1.00 0.00 H new ATOM 0 HB2 ARG A 74 39.204 33.959 29.885 1.00 0.00 H new ATOM 0 HB3 ARG A 74 40.612 34.859 30.414 1.00 0.00 H new ATOM 0 HG2 ARG A 74 39.251 32.819 32.250 1.00 0.00 H new ATOM 0 HG3 ARG A 74 40.470 32.327 31.092 1.00 0.00 H new ATOM 0 HD2 ARG A 74 42.161 33.069 32.449 1.00 0.00 H new ATOM 0 HD3 ARG A 74 41.440 34.662 32.569 1.00 0.00 H new ATOM 0 HE ARG A 74 40.288 32.489 34.332 1.00 0.00 H new ATOM 0 HH11 ARG A 74 40.516 32.951 36.563 1.00 0.00 H new ATOM 0 HH12 ARG A 74 41.289 34.454 37.077 1.00 0.00 H new ATOM 0 HH21 ARG A 74 41.998 35.523 33.851 1.00 0.00 H new ATOM 0 HH22 ARG A 74 42.108 35.874 35.579 1.00 0.00 H new ATOM 1224 N GLY A 75 39.598 37.105 32.965 1.00 0.00 N ATOM 1225 CA GLY A 75 40.300 38.382 33.264 1.00 0.00 C ATOM 1226 C GLY A 75 39.791 39.472 32.322 1.00 0.00 C ATOM 1227 O GLY A 75 40.555 40.126 31.640 1.00 0.00 O ATOM 0 H GLY A 75 39.205 36.623 33.774 1.00 0.00 H new ATOM 0 HA2 GLY A 75 40.127 38.671 34.301 1.00 0.00 H new ATOM 0 HA3 GLY A 75 41.376 38.255 33.144 1.00 0.00 H new ATOM 1231 N GLY A 76 38.503 39.669 32.275 1.00 0.00 N ATOM 1232 CA GLY A 76 37.941 40.713 31.376 1.00 0.00 C ATOM 1233 C GLY A 76 36.429 40.528 31.269 1.00 0.00 C ATOM 1234 O GLY A 76 36.004 39.731 30.448 1.00 0.00 O ATOM 1235 OXT GLY A 76 35.716 41.184 32.014 1.00 0.00 O ATOM 0 H GLY A 76 37.815 39.151 32.821 1.00 0.00 H new ATOM 0 HA2 GLY A 76 38.171 41.705 31.764 1.00 0.00 H new ATOM 0 HA3 GLY A 76 38.398 40.643 30.389 1.00 0.00 H new TER 1239 GLY A 76