USER MOD reduce.3.24.130724 H: found=0, std=0, add=630, rem=0, adj=16 USER MOD reduce.3.24.130724 removed 627 hydrogens (0 hets) USER MOD ----------------------------------------------------------------- USER MOD scores for adjustable sidechains, with "set" totals for H,N and Q USER MOD "o" means original, "f" means flipped, "180deg" is methyl default USER MOD "!" flags a clash with an overlap of 0.40A or greater USER MOD flip categories: "K"=keep, "C"=clashes, "X"=uncertain, "F"=flip USER MOD Set 1.1: A 55 THR OG1 : rot 128:sc= 0.304 USER MOD Set 1.2: A 57 SER OG : rot 180:sc= 0.295 USER MOD Set 2.1: A 22 THR OG1 : rot 180:sc= 0 USER MOD Set 2.2: A 25 ASN : amide:sc= -0.281 K(o=-0.28,f=-1.3!) USER MOD Single : A 1 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Single : A 1 MET N :NH3+ -131:sc= 0.189 (180deg=-0.265) USER MOD Single : A 2 GLN : amide:sc= -0.837 K(o=-0.84,f=-4.6!) USER MOD Single : A 6 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 7 THR OG1 : rot -69:sc= 0.748 USER MOD Single : A 9 THR OG1 : rot 180:sc= 0 USER MOD Single : A 11 LYS NZ :NH3+ -157:sc= -0.0805 (180deg=-0.606) USER MOD Single : A 12 THR OG1 : rot 40:sc= 0.425 USER MOD Single : A 14 THR OG1 : rot -64:sc= 0.318 USER MOD Single : A 20 SER OG : rot 180:sc= 0 USER MOD Single : A 27 LYS NZ :NH3+ -132:sc= 0.607 (180deg=-0.253) USER MOD Single : A 29 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 31 GLN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 33 LYS NZ :NH3+ 172:sc= 0 (180deg=-0.0751) USER MOD Single : A 40 GLN : amide:sc= -4.01! C(o=-4!,f=-5.2!) USER MOD Single : A 41 GLN :FLIP amide:sc= -1.86! C(o=-3.3!,f=-1.9!) USER MOD Single : A 48 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 49 GLN : amide:sc= -0.0762 K(o=-0.076,f=-2.2) USER MOD Single : A 59 TYR OH : rot 70:sc= 0.111 USER MOD Single : A 60 ASN : amide:sc= -0.165 X(o=-0.17,f=-0.0061) USER MOD Single : A 62 GLN : amide:sc= -0.214 X(o=-0.21,f=-0.034) USER MOD Single : A 63 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 65 SER OG : rot -90:sc= 0.625 USER MOD Single : A 66 THR OG1 : rot 180:sc= 0.0122 USER MOD Single : A 68 HIS : no HD1:sc= 0 X(o=0,f=0) USER MOD ----------------------------------------------------------------- ATOM 1 N MET A 1 26.574 24.894 3.073 1.00 49.53 N ATOM 2 CA MET A 1 25.492 25.851 3.362 1.00 50.07 C ATOM 3 C MET A 1 26.166 27.191 3.744 1.00 50.51 C ATOM 4 O MET A 1 27.395 27.248 3.779 1.00 49.49 O ATOM 5 CB MET A 1 24.605 25.341 4.497 1.00 49.82 C ATOM 6 CG MET A 1 23.939 24.000 4.222 1.00 49.86 C ATOM 7 SD MET A 1 23.009 23.383 5.637 1.00 49.91 S ATOM 8 CE MET A 1 22.521 21.766 5.043 1.00 49.78 C ATOM 0 H1 MET A 1 26.385 24.420 2.167 1.00 49.53 H new ATOM 0 H2 MET A 1 27.480 25.401 3.016 1.00 49.53 H new ATOM 0 H3 MET A 1 26.622 24.184 3.832 1.00 49.53 H new ATOM 0 HA MET A 1 24.846 25.980 2.493 1.00 50.07 H new ATOM 0 HB2 MET A 1 25.207 25.255 5.401 1.00 49.82 H new ATOM 0 HB3 MET A 1 23.832 26.082 4.698 1.00 49.82 H new ATOM 0 HG2 MET A 1 23.269 24.100 3.368 1.00 49.86 H new ATOM 0 HG3 MET A 1 24.700 23.270 3.947 1.00 49.86 H new ATOM 0 HE1 MET A 1 21.936 21.258 5.810 1.00 49.78 H new ATOM 0 HE2 MET A 1 21.919 21.876 4.141 1.00 49.78 H new ATOM 0 HE3 MET A 1 23.410 21.178 4.816 1.00 49.78 H new ATOM 18 N GLN A 2 25.331 28.153 4.003 1.00 49.53 N ATOM 19 CA GLN A 2 25.868 29.486 4.422 1.00 50.07 C ATOM 20 C GLN A 2 25.234 29.652 5.796 1.00 50.51 C ATOM 21 O GLN A 2 24.037 29.334 6.038 1.00 49.49 O ATOM 22 CB GLN A 2 25.432 30.601 3.468 1.00 49.82 C ATOM 23 CG GLN A 2 25.820 30.367 2.019 1.00 49.82 C ATOM 24 CD GLN A 2 27.209 30.886 1.700 1.00 50.55 C ATOM 25 OE1 GLN A 2 28.171 30.608 2.422 1.00 49.45 O ATOM 26 NE2 GLN A 2 27.322 31.646 0.617 1.00 49.38 N ATOM 0 H GLN A 2 24.315 28.084 3.946 1.00 49.53 H new ATOM 0 HA GLN A 2 26.957 29.541 4.423 1.00 50.07 H new ATOM 0 HB2 GLN A 2 24.350 30.713 3.529 1.00 49.82 H new ATOM 0 HB3 GLN A 2 25.870 31.542 3.802 1.00 49.82 H new ATOM 0 HG2 GLN A 2 25.775 29.300 1.802 1.00 49.82 H new ATOM 0 HG3 GLN A 2 25.095 30.855 1.368 1.00 49.82 H new ATOM 0 HE21 GLN A 2 26.500 31.850 0.049 1.00 49.38 H new ATOM 0 HE22 GLN A 2 28.231 32.026 0.353 1.00 49.38 H new ATOM 35 N ILE A 3 26.049 30.098 6.740 1.00 49.53 N ATOM 36 CA ILE A 3 25.536 30.444 8.079 1.00 50.07 C ATOM 37 C ILE A 3 26.238 31.767 8.506 1.00 50.51 C ATOM 38 O ILE A 3 27.277 32.033 7.922 1.00 49.49 O ATOM 39 CB ILE A 3 25.825 29.341 9.115 1.00 49.91 C ATOM 40 CG1 ILE A 3 27.321 29.018 9.147 1.00 49.82 C ATOM 41 CG2 ILE A 3 25.014 28.093 8.802 1.00 49.73 C ATOM 42 CD1 ILE A 3 27.694 27.957 10.157 1.00 49.73 C ATOM 0 H ILE A 3 27.053 30.231 6.619 1.00 49.53 H new ATOM 0 HA ILE A 3 24.453 30.555 8.036 1.00 50.07 H new ATOM 0 HB ILE A 3 25.530 29.704 10.100 1.00 49.91 H new ATOM 0 HG12 ILE A 3 27.634 28.689 8.156 1.00 49.82 H new ATOM 0 HG13 ILE A 3 27.875 29.930 9.370 1.00 49.82 H new ATOM 0 HG21 ILE A 3 25.230 27.323 9.543 1.00 49.73 H new ATOM 0 HG22 ILE A 3 23.951 28.334 8.828 1.00 49.73 H new ATOM 0 HG23 ILE A 3 25.279 27.726 7.810 1.00 49.73 H new ATOM 0 HD11 ILE A 3 28.769 27.782 10.121 1.00 49.73 H new ATOM 0 HD12 ILE A 3 27.414 28.291 11.156 1.00 49.73 H new ATOM 0 HD13 ILE A 3 27.168 27.031 9.923 1.00 49.73 H new ATOM 54 N PHE A 4 25.599 32.421 9.445 1.00 49.53 N ATOM 55 CA PHE A 4 26.212 33.714 9.932 1.00 50.07 C ATOM 56 C PHE A 4 26.648 33.608 11.367 1.00 50.51 C ATOM 57 O PHE A 4 25.899 32.967 12.120 1.00 49.49 O ATOM 58 CB PHE A 4 25.222 34.869 9.767 1.00 49.82 C ATOM 59 CG PHE A 4 25.042 35.315 8.344 1.00 50.00 C ATOM 60 CD1 PHE A 4 25.875 36.276 7.792 1.00 49.88 C ATOM 61 CD2 PHE A 4 24.041 34.771 7.554 1.00 49.88 C ATOM 62 CE1 PHE A 4 25.711 36.688 6.483 1.00 49.88 C ATOM 63 CE2 PHE A 4 23.874 35.180 6.244 1.00 49.88 C ATOM 64 CZ PHE A 4 24.709 36.139 5.709 1.00 49.88 C ATOM 0 H PHE A 4 24.721 32.141 9.883 1.00 49.53 H new ATOM 0 HA PHE A 4 27.095 33.912 9.325 1.00 50.07 H new ATOM 0 HB2 PHE A 4 24.255 34.566 10.168 1.00 49.82 H new ATOM 0 HB3 PHE A 4 25.563 35.716 10.363 1.00 49.82 H new ATOM 0 HD1 PHE A 4 26.662 36.708 8.392 1.00 49.88 H new ATOM 0 HD2 PHE A 4 23.384 34.019 7.967 1.00 49.88 H new ATOM 0 HE1 PHE A 4 26.366 37.439 6.066 1.00 49.88 H new ATOM 0 HE2 PHE A 4 23.090 34.749 5.639 1.00 49.88 H new ATOM 0 HZ PHE A 4 24.579 36.460 4.686 1.00 49.88 H new ATOM 74 N VAL A 5 27.749 34.221 11.792 1.00 49.53 N ATOM 75 CA VAL A 5 28.143 34.211 13.186 1.00 50.07 C ATOM 76 C VAL A 5 28.157 35.690 13.639 1.00 50.51 C ATOM 77 O VAL A 5 29.054 36.358 13.109 1.00 49.49 O ATOM 78 CB VAL A 5 29.535 33.584 13.394 1.00 49.91 C ATOM 79 CG1 VAL A 5 29.919 33.617 14.866 1.00 49.73 C ATOM 80 CG2 VAL A 5 29.559 32.155 12.872 1.00 49.73 C ATOM 0 H VAL A 5 28.385 34.733 11.181 1.00 49.53 H new ATOM 0 HA VAL A 5 27.447 33.606 13.767 1.00 50.07 H new ATOM 0 HB VAL A 5 30.263 34.169 12.833 1.00 49.91 H new ATOM 0 HG11 VAL A 5 30.905 33.170 14.995 1.00 49.73 H new ATOM 0 HG12 VAL A 5 29.940 34.650 15.213 1.00 49.73 H new ATOM 0 HG13 VAL A 5 29.187 33.054 15.446 1.00 49.73 H new ATOM 0 HG21 VAL A 5 30.550 31.728 13.027 1.00 49.73 H new ATOM 0 HG22 VAL A 5 28.819 31.560 13.407 1.00 49.73 H new ATOM 0 HG23 VAL A 5 29.325 32.153 11.807 1.00 49.73 H new ATOM 90 N LYS A 6 27.238 36.064 14.460 1.00 49.53 N ATOM 91 CA LYS A 6 27.159 37.496 14.913 1.00 50.07 C ATOM 92 C LYS A 6 28.029 37.904 16.070 1.00 50.51 C ATOM 93 O LYS A 6 28.297 37.085 16.979 1.00 49.49 O ATOM 94 CB LYS A 6 25.706 37.848 15.238 1.00 49.82 C ATOM 95 CG LYS A 6 25.440 39.339 15.395 1.00 49.82 C ATOM 96 CD LYS A 6 23.970 39.612 15.676 1.00 49.82 C ATOM 97 CE LYS A 6 23.704 41.101 15.835 1.00 50.21 C ATOM 98 NZ LYS A 6 22.266 41.385 16.093 1.00 49.70 N ATOM 0 H LYS A 6 26.524 35.448 14.850 1.00 49.53 H new ATOM 0 HA LYS A 6 27.555 38.057 14.067 1.00 50.07 H new ATOM 0 HB2 LYS A 6 25.065 37.458 14.447 1.00 49.82 H new ATOM 0 HB3 LYS A 6 25.420 37.341 16.160 1.00 49.82 H new ATOM 0 HG2 LYS A 6 26.048 39.735 16.209 1.00 49.82 H new ATOM 0 HG3 LYS A 6 25.742 39.862 14.488 1.00 49.82 H new ATOM 0 HD2 LYS A 6 23.363 39.217 14.862 1.00 49.82 H new ATOM 0 HD3 LYS A 6 23.668 39.088 16.583 1.00 49.82 H new ATOM 0 HE2 LYS A 6 24.304 41.491 16.657 1.00 50.21 H new ATOM 0 HE3 LYS A 6 24.021 41.624 14.933 1.00 50.21 H new ATOM 0 HZ1 LYS A 6 22.128 42.411 16.195 1.00 49.70 H new ATOM 0 HZ2 LYS A 6 21.695 41.036 15.297 1.00 49.70 H new ATOM 0 HZ3 LYS A 6 21.969 40.907 16.968 1.00 49.70 H new ATOM 112 N THR A 7 28.447 39.189 16.105 1.00 49.53 N ATOM 113 CA THR A 7 29.300 39.659 17.208 1.00 50.07 C ATOM 114 C THR A 7 28.686 40.902 17.856 1.00 50.51 C ATOM 115 O THR A 7 27.892 41.566 17.188 1.00 49.49 O ATOM 116 CB THR A 7 30.724 39.990 16.724 1.00 50.14 C ATOM 117 OG1 THR A 7 30.673 41.071 15.784 1.00 49.34 O ATOM 118 CG2 THR A 7 31.357 38.776 16.061 1.00 49.73 C ATOM 0 H THR A 7 28.215 39.895 15.406 1.00 49.53 H new ATOM 0 HA THR A 7 29.364 38.852 17.938 1.00 50.07 H new ATOM 0 HB THR A 7 31.327 40.277 17.585 1.00 50.14 H new ATOM 0 HG1 THR A 7 30.247 40.765 14.956 1.00 49.34 H new ATOM 0 HG21 THR A 7 32.363 39.028 15.725 1.00 49.73 H new ATOM 0 HG22 THR A 7 31.408 37.956 16.777 1.00 49.73 H new ATOM 0 HG23 THR A 7 30.754 38.473 15.205 1.00 49.73 H new ATOM 126 N LEU A 8 29.134 41.267 19.038 1.00 49.53 N ATOM 127 CA LEU A 8 28.560 42.432 19.748 1.00 50.07 C ATOM 128 C LEU A 8 28.482 43.750 19.005 1.00 50.51 C ATOM 129 O LEU A 8 27.436 44.424 19.056 1.00 49.49 O ATOM 130 CB LEU A 8 29.321 42.643 21.063 1.00 49.82 C ATOM 131 CG LEU A 8 28.876 41.748 22.226 1.00 49.91 C ATOM 132 CD1 LEU A 8 28.836 40.293 21.779 1.00 49.73 C ATOM 133 CD2 LEU A 8 29.829 41.926 23.398 1.00 49.73 C ATOM 0 H LEU A 8 29.885 40.792 19.538 1.00 49.53 H new ATOM 0 HA LEU A 8 27.515 42.155 19.890 1.00 50.07 H new ATOM 0 HB2 LEU A 8 30.382 42.474 20.881 1.00 49.82 H new ATOM 0 HB3 LEU A 8 29.211 43.685 21.365 1.00 49.82 H new ATOM 0 HG LEU A 8 27.873 42.035 22.543 1.00 49.91 H new ATOM 0 HD11 LEU A 8 28.519 39.665 22.612 1.00 49.73 H new ATOM 0 HD12 LEU A 8 28.132 40.185 20.954 1.00 49.73 H new ATOM 0 HD13 LEU A 8 29.829 39.986 21.451 1.00 49.73 H new ATOM 0 HD21 LEU A 8 29.512 41.290 24.224 1.00 49.73 H new ATOM 0 HD22 LEU A 8 30.838 41.648 23.092 1.00 49.73 H new ATOM 0 HD23 LEU A 8 29.821 42.968 23.719 1.00 49.73 H new ATOM 145 N THR A 9 29.552 44.122 18.276 1.00 49.53 N ATOM 146 CA THR A 9 29.427 45.435 17.558 1.00 50.07 C ATOM 147 C THR A 9 28.406 45.260 16.476 1.00 50.51 C ATOM 148 O THR A 9 27.727 46.214 16.055 1.00 49.49 O ATOM 149 CB THR A 9 30.763 45.890 16.942 1.00 50.14 C ATOM 150 OG1 THR A 9 31.154 44.973 15.912 1.00 49.34 O ATOM 151 CG2 THR A 9 31.849 45.942 18.006 1.00 49.73 C ATOM 0 H THR A 9 30.427 43.610 18.163 1.00 49.53 H new ATOM 0 HA THR A 9 29.129 46.204 18.270 1.00 50.07 H new ATOM 0 HB THR A 9 30.631 46.887 16.521 1.00 50.14 H new ATOM 0 HG1 THR A 9 32.003 45.265 15.520 1.00 49.34 H new ATOM 0 HG21 THR A 9 32.786 46.265 17.554 1.00 49.73 H new ATOM 0 HG22 THR A 9 31.561 46.646 18.786 1.00 49.73 H new ATOM 0 HG23 THR A 9 31.979 44.951 18.442 1.00 49.73 H new ATOM 159 N GLY A 10 28.230 44.069 15.993 1.00 49.53 N ATOM 160 CA GLY A 10 27.277 43.754 14.951 1.00 49.98 C ATOM 161 C GLY A 10 27.868 43.244 13.670 1.00 50.51 C ATOM 162 O GLY A 10 27.125 42.832 12.752 1.00 49.49 O ATOM 0 H GLY A 10 28.757 43.258 16.317 1.00 49.53 H new ATOM 0 HA2 GLY A 10 26.581 43.007 15.333 1.00 49.98 H new ATOM 0 HA3 GLY A 10 26.695 44.649 14.732 1.00 49.98 H new ATOM 166 N LYS A 11 29.174 43.253 13.590 1.00 49.53 N ATOM 167 CA LYS A 11 29.891 42.692 12.453 1.00 50.07 C ATOM 168 C LYS A 11 29.459 41.224 12.231 1.00 50.51 C ATOM 169 O LYS A 11 29.502 40.480 13.205 1.00 49.49 O ATOM 170 CB LYS A 11 31.403 42.774 12.674 1.00 49.82 C ATOM 171 CG LYS A 11 32.238 42.368 11.466 1.00 49.82 C ATOM 172 CD LYS A 11 33.712 42.263 11.823 1.00 49.82 C ATOM 173 CE LYS A 11 34.345 43.638 11.978 1.00 50.21 C ATOM 174 NZ LYS A 11 34.264 44.432 10.723 1.00 49.70 N ATOM 0 H LYS A 11 29.780 43.649 14.309 1.00 49.53 H new ATOM 0 HA LYS A 11 29.645 43.273 11.564 1.00 50.07 H new ATOM 0 HB2 LYS A 11 31.662 43.795 12.953 1.00 49.82 H new ATOM 0 HB3 LYS A 11 31.670 42.136 13.516 1.00 49.82 H new ATOM 0 HG2 LYS A 11 31.885 41.410 11.083 1.00 49.82 H new ATOM 0 HG3 LYS A 11 32.106 43.099 10.668 1.00 49.82 H new ATOM 0 HD2 LYS A 11 33.824 41.702 12.751 1.00 49.82 H new ATOM 0 HD3 LYS A 11 34.237 41.704 11.048 1.00 49.82 H new ATOM 0 HE2 LYS A 11 33.846 44.179 12.782 1.00 50.21 H new ATOM 0 HE3 LYS A 11 35.389 43.526 12.270 1.00 50.21 H new ATOM 0 HZ1 LYS A 11 35.007 45.160 10.724 1.00 49.70 H new ATOM 0 HZ2 LYS A 11 34.396 43.803 9.905 1.00 49.70 H new ATOM 0 HZ3 LYS A 11 33.332 44.889 10.661 1.00 49.70 H new ATOM 188 N THR A 12 29.126 40.889 10.998 1.00 49.53 N ATOM 189 CA THR A 12 28.792 39.476 10.737 1.00 50.07 C ATOM 190 C THR A 12 29.748 38.685 9.845 1.00 50.51 C ATOM 191 O THR A 12 29.863 39.080 8.682 1.00 49.49 O ATOM 192 CB THR A 12 27.378 39.357 10.139 1.00 50.14 C ATOM 193 OG1 THR A 12 27.283 40.178 8.967 1.00 49.34 O ATOM 194 CG2 THR A 12 26.332 39.799 11.150 1.00 49.73 C ATOM 0 H THR A 12 29.077 41.520 10.198 1.00 49.53 H new ATOM 0 HA THR A 12 28.874 39.025 11.726 1.00 50.07 H new ATOM 0 HB THR A 12 27.196 38.315 9.877 1.00 50.14 H new ATOM 0 HG1 THR A 12 28.113 40.108 8.450 1.00 49.34 H new ATOM 0 HG21 THR A 12 25.339 39.708 10.710 1.00 49.73 H new ATOM 0 HG22 THR A 12 26.395 39.169 12.037 1.00 49.73 H new ATOM 0 HG23 THR A 12 26.511 40.837 11.429 1.00 49.73 H new ATOM 202 N ILE A 13 30.321 37.619 10.401 1.00 49.53 N ATOM 203 CA ILE A 13 31.245 36.856 9.511 1.00 50.07 C ATOM 204 C ILE A 13 30.441 35.826 8.766 1.00 50.51 C ATOM 205 O ILE A 13 29.393 35.375 9.268 1.00 49.49 O ATOM 206 CB ILE A 13 32.367 36.162 10.304 1.00 49.91 C ATOM 207 CG1 ILE A 13 33.062 37.162 11.231 1.00 49.82 C ATOM 208 CG2 ILE A 13 33.372 35.524 9.356 1.00 49.73 C ATOM 209 CD1 ILE A 13 33.512 38.427 10.538 1.00 49.73 C ATOM 0 H ILE A 13 30.196 37.277 11.354 1.00 49.53 H new ATOM 0 HA ILE A 13 31.720 37.554 8.822 1.00 50.07 H new ATOM 0 HB ILE A 13 31.924 35.376 10.915 1.00 49.91 H new ATOM 0 HG12 ILE A 13 32.382 37.425 12.041 1.00 49.82 H new ATOM 0 HG13 ILE A 13 33.928 36.680 11.685 1.00 49.82 H new ATOM 0 HG21 ILE A 13 34.159 35.038 9.933 1.00 49.73 H new ATOM 0 HG22 ILE A 13 32.867 34.784 8.735 1.00 49.73 H new ATOM 0 HG23 ILE A 13 33.811 36.293 8.720 1.00 49.73 H new ATOM 0 HD11 ILE A 13 33.995 39.085 11.260 1.00 49.73 H new ATOM 0 HD12 ILE A 13 34.218 38.177 9.746 1.00 49.73 H new ATOM 0 HD13 ILE A 13 32.648 38.933 10.107 1.00 49.73 H new ATOM 221 N THR A 14 30.799 35.537 7.536 1.00 49.53 N ATOM 222 CA THR A 14 30.018 34.481 6.826 1.00 50.07 C ATOM 223 C THR A 14 30.802 33.197 6.760 1.00 50.51 C ATOM 224 O THR A 14 32.039 33.221 6.524 1.00 49.49 O ATOM 225 CB THR A 14 29.641 34.918 5.398 1.00 50.14 C ATOM 226 OG1 THR A 14 28.700 35.998 5.458 1.00 49.34 O ATOM 227 CG2 THR A 14 29.024 33.758 4.631 1.00 49.73 C ATOM 0 H THR A 14 31.563 35.966 7.014 1.00 49.53 H new ATOM 0 HA THR A 14 29.102 34.322 7.394 1.00 50.07 H new ATOM 0 HB THR A 14 30.546 35.242 4.883 1.00 50.14 H new ATOM 0 HG1 THR A 14 27.870 35.686 5.876 1.00 49.34 H new ATOM 0 HG21 THR A 14 28.764 34.085 3.624 1.00 49.73 H new ATOM 0 HG22 THR A 14 29.740 32.938 4.573 1.00 49.73 H new ATOM 0 HG23 THR A 14 28.125 33.418 5.146 1.00 49.73 H new ATOM 235 N LEU A 15 30.153 32.053 6.906 1.00 49.53 N ATOM 236 CA LEU A 15 30.825 30.772 6.873 1.00 50.07 C ATOM 237 C LEU A 15 30.204 29.650 6.034 1.00 50.51 C ATOM 238 O LEU A 15 28.984 29.564 6.091 1.00 49.49 O ATOM 239 CB LEU A 15 31.019 30.271 8.310 1.00 49.82 C ATOM 240 CG LEU A 15 31.859 31.184 9.212 1.00 49.91 C ATOM 241 CD1 LEU A 15 31.707 30.763 10.668 1.00 49.73 C ATOM 242 CD2 LEU A 15 33.317 31.122 8.782 1.00 49.73 C ATOM 0 H LEU A 15 29.145 31.991 7.051 1.00 49.53 H new ATOM 0 HA LEU A 15 31.759 30.990 6.355 1.00 50.07 H new ATOM 0 HB2 LEU A 15 30.038 30.138 8.767 1.00 49.82 H new ATOM 0 HB3 LEU A 15 31.490 29.289 8.275 1.00 49.82 H new ATOM 0 HG LEU A 15 31.509 32.212 9.116 1.00 49.91 H new ATOM 0 HD11 LEU A 15 32.307 31.417 11.300 1.00 49.73 H new ATOM 0 HD12 LEU A 15 30.660 30.836 10.961 1.00 49.73 H new ATOM 0 HD13 LEU A 15 32.045 29.734 10.786 1.00 49.73 H new ATOM 0 HD21 LEU A 15 33.913 31.771 9.423 1.00 49.73 H new ATOM 0 HD22 LEU A 15 33.678 30.097 8.867 1.00 49.73 H new ATOM 0 HD23 LEU A 15 33.406 31.454 7.747 1.00 49.73 H new ATOM 254 N GLU A 16 31.053 28.945 5.326 1.00 49.53 N ATOM 255 CA GLU A 16 30.511 27.750 4.597 1.00 50.07 C ATOM 256 C GLU A 16 30.862 26.448 5.285 1.00 50.51 C ATOM 257 O GLU A 16 32.046 26.143 5.420 1.00 49.49 O ATOM 258 CB GLU A 16 31.024 27.731 3.156 1.00 49.82 C ATOM 259 CG GLU A 16 30.371 28.761 2.243 1.00 49.72 C ATOM 260 CD GLU A 16 31.035 28.795 0.895 1.00 50.62 C ATOM 261 OE1 GLU A 16 32.210 29.070 0.839 1.00 49.24 O ATOM 262 OE2 GLU A 16 30.399 28.436 -0.068 1.00 49.24 O ATOM 0 H GLU A 16 32.051 29.129 5.221 1.00 49.53 H new ATOM 0 HA GLU A 16 29.425 27.839 4.599 1.00 50.07 H new ATOM 0 HB2 GLU A 16 32.101 27.901 3.164 1.00 49.82 H new ATOM 0 HB3 GLU A 16 30.861 26.738 2.738 1.00 49.82 H new ATOM 0 HG2 GLU A 16 29.313 28.526 2.124 1.00 49.72 H new ATOM 0 HG3 GLU A 16 30.428 29.747 2.704 1.00 49.72 H new ATOM 269 N VAL A 17 29.809 25.845 5.814 1.00 49.53 N ATOM 270 CA VAL A 17 29.925 24.599 6.562 1.00 50.07 C ATOM 271 C VAL A 17 29.592 23.366 5.708 1.00 50.51 C ATOM 272 O VAL A 17 29.188 23.472 4.528 1.00 49.49 O ATOM 273 CB VAL A 17 29.016 24.604 7.805 1.00 49.91 C ATOM 274 CG1 VAL A 17 29.463 25.675 8.788 1.00 49.73 C ATOM 275 CG2 VAL A 17 27.566 24.823 7.403 1.00 49.73 C ATOM 0 H VAL A 17 28.856 26.201 5.739 1.00 49.53 H new ATOM 0 HA VAL A 17 30.969 24.534 6.870 1.00 50.07 H new ATOM 0 HB VAL A 17 29.096 23.633 8.294 1.00 49.91 H new ATOM 0 HG11 VAL A 17 28.809 25.664 9.660 1.00 49.73 H new ATOM 0 HG12 VAL A 17 30.488 25.477 9.100 1.00 49.73 H new ATOM 0 HG13 VAL A 17 29.412 26.653 8.309 1.00 49.73 H new ATOM 0 HG21 VAL A 17 26.938 24.824 8.294 1.00 49.73 H new ATOM 0 HG22 VAL A 17 27.471 25.781 6.891 1.00 49.73 H new ATOM 0 HG23 VAL A 17 27.248 24.022 6.736 1.00 49.73 H new ATOM 285 N GLU A 18 29.961 22.246 6.288 1.00 49.53 N ATOM 286 CA GLU A 18 29.664 20.918 5.748 1.00 50.07 C ATOM 287 C GLU A 18 28.747 20.110 6.655 1.00 50.51 C ATOM 288 O GLU A 18 28.737 20.285 7.864 1.00 49.49 O ATOM 289 CB GLU A 18 30.960 20.145 5.498 1.00 49.82 C ATOM 290 CG GLU A 18 32.000 20.906 4.688 1.00 49.72 C ATOM 291 CD GLU A 18 31.617 20.977 3.236 1.00 50.62 C ATOM 292 OE1 GLU A 18 30.695 20.298 2.850 1.00 49.24 O ATOM 293 OE2 GLU A 18 32.171 21.790 2.536 1.00 49.24 O ATOM 0 H GLU A 18 30.485 22.221 7.163 1.00 49.53 H new ATOM 0 HA GLU A 18 29.138 21.070 4.806 1.00 50.07 H new ATOM 0 HB2 GLU A 18 31.396 19.870 6.459 1.00 49.82 H new ATOM 0 HB3 GLU A 18 30.721 19.217 4.979 1.00 49.82 H new ATOM 0 HG2 GLU A 18 32.108 21.914 5.087 1.00 49.72 H new ATOM 0 HG3 GLU A 18 32.970 20.418 4.787 1.00 49.72 H new ATOM 300 N PRO A 19 27.930 19.255 6.071 1.00 49.71 N ATOM 301 CA PRO A 19 27.032 18.381 6.827 1.00 50.02 C ATOM 302 C PRO A 19 27.775 17.551 7.844 1.00 50.51 C ATOM 303 O PRO A 19 27.202 17.068 8.830 1.00 49.49 O ATOM 304 CB PRO A 19 26.392 17.488 5.740 1.00 49.82 C ATOM 305 CG PRO A 19 26.411 18.368 4.534 1.00 49.82 C ATOM 306 CD PRO A 19 27.807 19.038 4.608 1.00 50.00 C ATOM 0 HA PRO A 19 26.299 18.943 7.405 1.00 50.02 H new ATOM 0 HB2 PRO A 19 26.962 16.573 5.582 1.00 49.82 H new ATOM 0 HB3 PRO A 19 25.378 17.190 6.007 1.00 49.82 H new ATOM 0 HG2 PRO A 19 26.287 17.795 3.615 1.00 49.82 H new ATOM 0 HG3 PRO A 19 25.608 19.105 4.560 1.00 49.82 H new ATOM 0 HD2 PRO A 19 28.596 18.395 4.217 1.00 50.00 H new ATOM 0 HD3 PRO A 19 27.849 19.971 4.046 1.00 50.00 H new ATOM 314 N SER A 20 29.056 17.322 7.609 1.00 49.53 N ATOM 315 CA SER A 20 29.842 16.477 8.523 1.00 50.07 C ATOM 316 C SER A 20 30.782 17.159 9.489 1.00 50.51 C ATOM 317 O SER A 20 31.712 16.491 9.972 1.00 49.49 O ATOM 318 CB SER A 20 30.623 15.465 7.708 1.00 50.05 C ATOM 319 OG SER A 20 31.608 16.072 6.916 1.00 49.34 O ATOM 0 H SER A 20 29.575 17.695 6.814 1.00 49.53 H new ATOM 0 HA SER A 20 29.088 16.030 9.171 1.00 50.07 H new ATOM 0 HB2 SER A 20 31.091 14.744 8.378 1.00 50.05 H new ATOM 0 HB3 SER A 20 29.937 14.908 7.069 1.00 50.05 H new ATOM 0 HG SER A 20 32.089 15.385 6.409 1.00 49.34 H new ATOM 325 N ASP A 21 30.631 18.477 9.645 1.00 49.53 N ATOM 326 CA ASP A 21 31.564 19.166 10.575 1.00 50.07 C ATOM 327 C ASP A 21 30.981 19.247 11.963 1.00 50.51 C ATOM 328 O ASP A 21 29.759 19.429 12.133 1.00 49.49 O ATOM 329 CB ASP A 21 31.897 20.569 10.061 1.00 49.72 C ATOM 330 CG ASP A 21 32.880 20.597 8.900 1.00 50.62 C ATOM 331 OD1 ASP A 21 33.461 19.577 8.614 1.00 49.24 O ATOM 332 OD2 ASP A 21 32.926 21.588 8.210 1.00 49.24 O ATOM 0 H ASP A 21 29.933 19.062 9.185 1.00 49.53 H new ATOM 0 HA ASP A 21 32.483 18.582 10.622 1.00 50.07 H new ATOM 0 HB2 ASP A 21 30.973 21.058 9.751 1.00 49.72 H new ATOM 0 HB3 ASP A 21 32.308 21.156 10.883 1.00 49.72 H new ATOM 337 N THR A 22 31.852 19.217 12.956 1.00 49.53 N ATOM 338 CA THR A 22 31.458 19.376 14.336 1.00 50.07 C ATOM 339 C THR A 22 31.713 20.834 14.787 1.00 50.51 C ATOM 340 O THR A 22 32.547 21.521 14.190 1.00 49.49 O ATOM 341 CB THR A 22 32.223 18.414 15.263 1.00 50.14 C ATOM 342 OG1 THR A 22 33.634 18.587 15.076 1.00 49.34 O ATOM 343 CG2 THR A 22 31.848 16.971 14.962 1.00 49.73 C ATOM 0 H THR A 22 32.854 19.081 12.823 1.00 49.53 H new ATOM 0 HA THR A 22 30.396 19.140 14.407 1.00 50.07 H new ATOM 0 HB THR A 22 31.956 18.639 16.295 1.00 50.14 H new ATOM 0 HG1 THR A 22 34.120 17.975 15.668 1.00 49.34 H new ATOM 0 HG21 THR A 22 32.399 16.306 15.627 1.00 49.73 H new ATOM 0 HG22 THR A 22 30.778 16.834 15.116 1.00 49.73 H new ATOM 0 HG23 THR A 22 32.099 16.738 13.927 1.00 49.73 H new ATOM 351 N ILE A 23 30.969 21.196 15.834 1.00 49.53 N ATOM 352 CA ILE A 23 31.140 22.506 16.456 1.00 50.07 C ATOM 353 C ILE A 23 32.608 22.879 16.671 1.00 50.51 C ATOM 354 O ILE A 23 33.045 24.018 16.427 1.00 49.49 O ATOM 355 CB ILE A 23 30.407 22.581 17.809 1.00 49.91 C ATOM 356 CG1 ILE A 23 28.897 22.426 17.606 1.00 49.82 C ATOM 357 CG2 ILE A 23 30.720 23.893 18.512 1.00 49.73 C ATOM 358 CD1 ILE A 23 28.322 23.354 16.561 1.00 49.73 C ATOM 0 H ILE A 23 30.253 20.609 16.262 1.00 49.53 H new ATOM 0 HA ILE A 23 30.707 23.220 15.756 1.00 50.07 H new ATOM 0 HB ILE A 23 30.756 21.763 18.439 1.00 49.91 H new ATOM 0 HG12 ILE A 23 28.682 21.396 17.321 1.00 49.82 H new ATOM 0 HG13 ILE A 23 28.392 22.606 18.555 1.00 49.82 H new ATOM 0 HG21 ILE A 23 30.194 23.929 19.466 1.00 49.73 H new ATOM 0 HG22 ILE A 23 31.794 23.965 18.687 1.00 49.73 H new ATOM 0 HG23 ILE A 23 30.397 24.726 17.888 1.00 49.73 H new ATOM 0 HD11 ILE A 23 27.249 23.184 16.475 1.00 49.73 H new ATOM 0 HD12 ILE A 23 28.504 24.388 16.853 1.00 49.73 H new ATOM 0 HD13 ILE A 23 28.798 23.160 15.600 1.00 49.73 H new ATOM 370 N GLU A 24 33.385 21.935 17.148 1.00 49.53 N ATOM 371 CA GLU A 24 34.855 22.184 17.330 1.00 50.07 C ATOM 372 C GLU A 24 35.484 22.588 16.019 1.00 50.51 C ATOM 373 O GLU A 24 36.294 23.545 15.955 1.00 49.49 O ATOM 374 CB GLU A 24 35.547 20.939 17.888 1.00 49.82 C ATOM 375 CG GLU A 24 37.066 21.030 17.930 1.00 49.72 C ATOM 376 CD GLU A 24 37.657 19.933 18.772 1.00 50.62 C ATOM 377 OE1 GLU A 24 36.907 19.155 19.312 1.00 49.24 O ATOM 378 OE2 GLU A 24 38.857 19.803 18.786 1.00 49.24 O ATOM 0 H GLU A 24 33.068 21.004 17.419 1.00 49.53 H new ATOM 0 HA GLU A 24 34.980 22.998 18.044 1.00 50.07 H new ATOM 0 HB2 GLU A 24 35.178 20.755 18.897 1.00 49.82 H new ATOM 0 HB3 GLU A 24 35.263 20.078 17.282 1.00 49.82 H new ATOM 0 HG2 GLU A 24 37.464 20.968 16.917 1.00 49.72 H new ATOM 0 HG3 GLU A 24 37.363 21.999 18.331 1.00 49.72 H new ATOM 385 N ASN A 25 35.172 21.858 14.961 1.00 49.53 N ATOM 386 CA ASN A 25 35.693 22.096 13.609 1.00 50.07 C ATOM 387 C ASN A 25 35.316 23.494 13.125 1.00 50.51 C ATOM 388 O ASN A 25 36.124 24.185 12.471 1.00 49.49 O ATOM 389 CB ASN A 25 35.197 21.047 12.629 1.00 49.82 C ATOM 390 CG ASN A 25 35.830 19.696 12.818 1.00 50.55 C ATOM 391 OD1 ASN A 25 36.902 19.570 13.420 1.00 49.45 O ATOM 392 ND2 ASN A 25 35.214 18.699 12.236 1.00 49.38 N ATOM 0 H ASN A 25 34.535 21.063 15.011 1.00 49.53 H new ATOM 0 HA ASN A 25 36.779 22.022 13.658 1.00 50.07 H new ATOM 0 HB2 ASN A 25 34.116 20.949 12.731 1.00 49.82 H new ATOM 0 HB3 ASN A 25 35.392 21.391 11.613 1.00 49.82 H new ATOM 0 HD21 ASN A 25 35.617 17.763 12.266 1.00 49.38 H new ATOM 0 HD22 ASN A 25 34.330 18.858 11.752 1.00 49.38 H new ATOM 399 N VAL A 26 34.087 23.869 13.453 1.00 49.53 N ATOM 400 CA VAL A 26 33.591 25.192 13.088 1.00 50.07 C ATOM 401 C VAL A 26 34.486 26.212 13.784 1.00 50.51 C ATOM 402 O VAL A 26 34.924 27.198 13.181 1.00 49.49 O ATOM 403 CB VAL A 26 32.127 25.402 13.517 1.00 49.91 C ATOM 404 CG1 VAL A 26 31.712 26.850 13.304 1.00 49.73 C ATOM 405 CG2 VAL A 26 31.207 24.467 12.748 1.00 49.73 C ATOM 0 H VAL A 26 33.423 23.287 13.963 1.00 49.53 H new ATOM 0 HA VAL A 26 33.617 25.304 12.004 1.00 50.07 H new ATOM 0 HB VAL A 26 32.043 25.172 14.579 1.00 49.91 H new ATOM 0 HG11 VAL A 26 30.675 26.980 13.612 1.00 49.73 H new ATOM 0 HG12 VAL A 26 32.352 27.503 13.898 1.00 49.73 H new ATOM 0 HG13 VAL A 26 31.812 27.106 12.249 1.00 49.73 H new ATOM 0 HG21 VAL A 26 30.177 24.629 13.064 1.00 49.73 H new ATOM 0 HG22 VAL A 26 31.295 24.667 11.680 1.00 49.73 H new ATOM 0 HG23 VAL A 26 31.489 23.433 12.948 1.00 49.73 H new ATOM 415 N LYS A 27 34.735 25.982 15.068 1.00 49.53 N ATOM 416 CA LYS A 27 35.580 26.897 15.849 1.00 50.07 C ATOM 417 C LYS A 27 36.937 27.091 15.194 1.00 50.51 C ATOM 418 O LYS A 27 37.286 28.249 14.852 1.00 49.49 O ATOM 419 CB LYS A 27 35.755 26.377 17.277 1.00 49.82 C ATOM 420 CG LYS A 27 34.498 26.450 18.132 1.00 49.82 C ATOM 421 CD LYS A 27 34.804 26.156 19.593 1.00 49.82 C ATOM 422 CE LYS A 27 33.545 26.209 20.445 1.00 50.21 C ATOM 423 NZ LYS A 27 33.826 25.898 21.873 1.00 49.70 N ATOM 0 H LYS A 27 34.373 25.184 15.590 1.00 49.53 H new ATOM 0 HA LYS A 27 35.078 27.864 15.883 1.00 50.07 H new ATOM 0 HB2 LYS A 27 36.091 25.341 17.235 1.00 49.82 H new ATOM 0 HB3 LYS A 27 36.545 26.949 17.764 1.00 49.82 H new ATOM 0 HG2 LYS A 27 34.053 27.441 18.044 1.00 49.82 H new ATOM 0 HG3 LYS A 27 33.762 25.736 17.762 1.00 49.82 H new ATOM 0 HD2 LYS A 27 35.262 25.171 19.679 1.00 49.82 H new ATOM 0 HD3 LYS A 27 35.529 26.879 19.967 1.00 49.82 H new ATOM 0 HE2 LYS A 27 33.098 27.200 20.371 1.00 50.21 H new ATOM 0 HE3 LYS A 27 32.814 25.500 20.056 1.00 50.21 H new ATOM 0 HZ1 LYS A 27 33.138 25.198 22.218 1.00 49.70 H new ATOM 0 HZ2 LYS A 27 34.787 25.511 21.961 1.00 49.70 H new ATOM 0 HZ3 LYS A 27 33.749 26.767 22.439 1.00 49.70 H new ATOM 437 N ALA A 28 37.692 26.028 15.008 1.00 49.53 N ATOM 438 CA ALA A 28 38.988 26.100 14.324 1.00 50.07 C ATOM 439 C ALA A 28 38.912 26.678 12.922 1.00 50.51 C ATOM 440 O ALA A 28 39.795 27.506 12.512 1.00 49.49 O ATOM 441 CB ALA A 28 39.640 24.704 14.283 1.00 49.73 C ATOM 0 H ALA A 28 37.436 25.091 15.320 1.00 49.53 H new ATOM 0 HA ALA A 28 39.601 26.789 14.905 1.00 50.07 H new ATOM 0 HB1 ALA A 28 40.602 24.766 13.774 1.00 49.73 H new ATOM 0 HB2 ALA A 28 39.791 24.343 15.300 1.00 49.73 H new ATOM 0 HB3 ALA A 28 38.989 24.014 13.746 1.00 49.73 H new ATOM 447 N LYS A 29 37.902 26.333 12.137 1.00 49.53 N ATOM 448 CA LYS A 29 37.723 26.926 10.796 1.00 50.07 C ATOM 449 C LYS A 29 37.799 28.453 10.983 1.00 50.51 C ATOM 450 O LYS A 29 38.505 29.194 10.256 1.00 49.49 O ATOM 451 CB LYS A 29 36.382 26.515 10.184 1.00 49.82 C ATOM 452 CG LYS A 29 36.151 27.035 8.772 1.00 49.82 C ATOM 453 CD LYS A 29 37.280 26.623 7.839 1.00 49.82 C ATOM 454 CE LYS A 29 36.990 27.033 6.402 1.00 50.21 C ATOM 455 NZ LYS A 29 38.084 26.634 5.478 1.00 49.70 N ATOM 0 H LYS A 29 37.190 25.649 12.393 1.00 49.53 H new ATOM 0 HA LYS A 29 38.493 26.575 10.109 1.00 50.07 H new ATOM 0 HB2 LYS A 29 36.320 25.427 10.172 1.00 49.82 H new ATOM 0 HB3 LYS A 29 35.578 26.873 10.827 1.00 49.82 H new ATOM 0 HG2 LYS A 29 35.204 26.652 8.392 1.00 49.82 H new ATOM 0 HG3 LYS A 29 36.071 28.122 8.791 1.00 49.82 H new ATOM 0 HD2 LYS A 29 38.212 27.081 8.169 1.00 49.82 H new ATOM 0 HD3 LYS A 29 37.420 25.543 7.890 1.00 49.82 H new ATOM 0 HE2 LYS A 29 36.055 26.576 6.076 1.00 50.21 H new ATOM 0 HE3 LYS A 29 36.851 28.113 6.354 1.00 50.21 H new ATOM 0 HZ1 LYS A 29 37.847 26.932 4.510 1.00 49.70 H new ATOM 0 HZ2 LYS A 29 38.971 27.090 5.773 1.00 49.70 H new ATOM 0 HZ3 LYS A 29 38.200 25.601 5.504 1.00 49.70 H new ATOM 469 N ILE A 30 37.117 28.940 12.019 1.00 49.53 N ATOM 470 CA ILE A 30 37.132 30.391 12.281 1.00 50.07 C ATOM 471 C ILE A 30 38.565 30.812 12.631 1.00 50.51 C ATOM 472 O ILE A 30 39.019 31.895 12.193 1.00 49.49 O ATOM 473 CB ILE A 30 36.185 30.777 13.433 1.00 49.91 C ATOM 474 CG1 ILE A 30 34.730 30.512 13.039 1.00 49.82 C ATOM 475 CG2 ILE A 30 36.379 32.236 13.815 1.00 49.73 C ATOM 476 CD1 ILE A 30 33.780 30.451 14.214 1.00 49.73 C ATOM 0 H ILE A 30 36.566 28.383 12.671 1.00 49.53 H new ATOM 0 HA ILE A 30 36.785 30.906 11.385 1.00 50.07 H new ATOM 0 HB ILE A 30 36.424 30.161 14.300 1.00 49.91 H new ATOM 0 HG12 ILE A 30 34.400 31.296 12.357 1.00 49.82 H new ATOM 0 HG13 ILE A 30 34.677 29.571 12.492 1.00 49.82 H new ATOM 0 HG21 ILE A 30 35.702 32.492 14.630 1.00 49.73 H new ATOM 0 HG22 ILE A 30 37.409 32.394 14.135 1.00 49.73 H new ATOM 0 HG23 ILE A 30 36.165 32.869 12.954 1.00 49.73 H new ATOM 0 HD11 ILE A 30 32.769 30.260 13.855 1.00 49.73 H new ATOM 0 HD12 ILE A 30 34.084 29.649 14.886 1.00 49.73 H new ATOM 0 HD13 ILE A 30 33.802 31.400 14.749 1.00 49.73 H new ATOM 488 N GLN A 31 39.264 30.043 13.427 1.00 49.53 N ATOM 489 CA GLN A 31 40.666 30.448 13.758 1.00 50.07 C ATOM 490 C GLN A 31 41.364 30.919 12.471 1.00 50.51 C ATOM 491 O GLN A 31 41.905 32.037 12.301 1.00 49.49 O ATOM 492 CB GLN A 31 41.439 29.280 14.378 1.00 49.82 C ATOM 493 CG GLN A 31 42.860 29.623 14.790 1.00 49.82 C ATOM 494 CD GLN A 31 43.711 28.388 15.020 1.00 50.55 C ATOM 495 OE1 GLN A 31 44.157 27.740 14.070 1.00 49.45 O ATOM 496 NE2 GLN A 31 43.937 28.054 16.285 1.00 49.38 N ATOM 0 H GLN A 31 38.938 29.175 13.853 1.00 49.53 H new ATOM 0 HA GLN A 31 40.642 31.259 14.486 1.00 50.07 H new ATOM 0 HB2 GLN A 31 40.895 28.923 15.252 1.00 49.82 H new ATOM 0 HB3 GLN A 31 41.468 28.458 13.663 1.00 49.82 H new ATOM 0 HG2 GLN A 31 43.320 30.239 14.018 1.00 49.82 H new ATOM 0 HG3 GLN A 31 42.837 30.220 15.702 1.00 49.82 H new ATOM 0 HE21 GLN A 31 43.548 28.620 17.039 1.00 49.38 H new ATOM 0 HE22 GLN A 31 44.500 27.232 16.503 1.00 49.38 H new ATOM 505 N ASP A 32 41.394 30.010 11.526 1.00 49.53 N ATOM 506 CA ASP A 32 42.014 30.310 10.215 1.00 50.07 C ATOM 507 C ASP A 32 41.788 31.757 9.831 1.00 50.51 C ATOM 508 O ASP A 32 42.630 32.440 9.203 1.00 49.49 O ATOM 509 CB ASP A 32 41.454 29.384 9.131 1.00 49.72 C ATOM 510 CG ASP A 32 41.938 27.943 9.225 1.00 50.62 C ATOM 511 OD1 ASP A 32 42.853 27.691 9.972 1.00 49.24 O ATOM 512 OD2 ASP A 32 41.292 27.084 8.673 1.00 49.24 O ATOM 0 H ASP A 32 41.011 29.069 11.616 1.00 49.53 H new ATOM 0 HA ASP A 32 43.087 30.139 10.302 1.00 50.07 H new ATOM 0 HB2 ASP A 32 40.366 29.394 9.188 1.00 49.72 H new ATOM 0 HB3 ASP A 32 41.725 29.783 8.154 1.00 49.72 H new ATOM 517 N LYS A 33 40.611 32.311 10.178 1.00 49.53 N ATOM 518 CA LYS A 33 40.370 33.701 9.705 1.00 50.07 C ATOM 519 C LYS A 33 40.302 34.822 10.682 1.00 50.51 C ATOM 520 O LYS A 33 40.374 36.008 10.205 1.00 49.49 O ATOM 521 CB LYS A 33 39.094 33.725 8.861 1.00 49.82 C ATOM 522 CG LYS A 33 39.183 32.930 7.565 1.00 49.82 C ATOM 523 CD LYS A 33 40.089 33.618 6.555 1.00 49.82 C ATOM 524 CE LYS A 33 40.205 32.807 5.272 1.00 50.21 C ATOM 525 NZ LYS A 33 38.917 32.751 4.530 1.00 49.70 N ATOM 0 H LYS A 33 39.872 31.876 10.730 1.00 49.53 H new ATOM 0 HA LYS A 33 41.291 33.913 9.162 1.00 50.07 H new ATOM 0 HB2 LYS A 33 38.270 33.333 9.458 1.00 49.82 H new ATOM 0 HB3 LYS A 33 38.850 34.760 8.622 1.00 49.82 H new ATOM 0 HG2 LYS A 33 39.562 31.930 7.775 1.00 49.82 H new ATOM 0 HG3 LYS A 33 38.186 32.810 7.140 1.00 49.82 H new ATOM 0 HD2 LYS A 33 39.696 34.609 6.327 1.00 49.82 H new ATOM 0 HD3 LYS A 33 41.079 33.760 6.989 1.00 49.82 H new ATOM 0 HE2 LYS A 33 40.972 33.246 4.634 1.00 50.21 H new ATOM 0 HE3 LYS A 33 40.530 31.794 5.511 1.00 50.21 H new ATOM 0 HZ1 LYS A 33 39.070 32.308 3.602 1.00 49.70 H new ATOM 0 HZ2 LYS A 33 38.228 32.191 5.072 1.00 49.70 H new ATOM 0 HZ3 LYS A 33 38.551 33.715 4.397 1.00 49.70 H new ATOM 539 N GLU A 34 40.422 34.654 11.969 1.00 49.53 N ATOM 540 CA GLU A 34 40.367 35.707 12.957 1.00 50.07 C ATOM 541 C GLU A 34 41.565 35.572 13.864 1.00 50.51 C ATOM 542 O GLU A 34 42.120 36.587 14.295 1.00 49.49 O ATOM 543 CB GLU A 34 39.070 35.631 13.764 1.00 49.82 C ATOM 544 CG GLU A 34 37.823 36.041 12.991 1.00 49.72 C ATOM 545 CD GLU A 34 36.571 35.670 13.736 1.00 50.62 C ATOM 546 OE1 GLU A 34 36.681 35.105 14.798 1.00 49.24 O ATOM 547 OE2 GLU A 34 35.511 36.049 13.301 1.00 49.24 O ATOM 0 H GLU A 34 40.568 33.734 12.383 1.00 49.53 H new ATOM 0 HA GLU A 34 40.385 36.677 12.460 1.00 50.07 H new ATOM 0 HB2 GLU A 34 38.940 34.611 14.125 1.00 49.82 H new ATOM 0 HB3 GLU A 34 39.165 36.270 14.642 1.00 49.82 H new ATOM 0 HG2 GLU A 34 37.839 37.117 12.815 1.00 49.72 H new ATOM 0 HG3 GLU A 34 37.823 35.558 12.014 1.00 49.72 H new ATOM 554 N GLY A 35 41.953 34.350 14.191 1.00 49.53 N ATOM 555 CA GLY A 35 43.122 34.091 14.989 1.00 49.98 C ATOM 556 C GLY A 35 42.855 33.731 16.396 1.00 50.51 C ATOM 557 O GLY A 35 43.802 33.688 17.227 1.00 49.49 O ATOM 0 H GLY A 35 41.455 33.508 13.903 1.00 49.53 H new ATOM 0 HA2 GLY A 35 43.688 33.283 14.525 1.00 49.98 H new ATOM 0 HA3 GLY A 35 43.758 34.976 14.971 1.00 49.98 H new ATOM 561 N ILE A 36 41.589 33.437 16.742 1.00 49.53 N ATOM 562 CA ILE A 36 41.302 33.069 18.137 1.00 50.07 C ATOM 563 C ILE A 36 41.240 31.564 18.331 1.00 50.51 C ATOM 564 O ILE A 36 40.629 30.844 17.520 1.00 49.49 O ATOM 565 CB ILE A 36 39.979 33.691 18.620 1.00 49.91 C ATOM 566 CG1 ILE A 36 40.003 35.211 18.433 1.00 49.82 C ATOM 567 CG2 ILE A 36 39.725 33.334 20.077 1.00 49.73 C ATOM 568 CD1 ILE A 36 38.635 35.852 18.475 1.00 49.73 C ATOM 0 H ILE A 36 40.787 33.445 16.112 1.00 49.53 H new ATOM 0 HA ILE A 36 42.127 33.463 18.730 1.00 50.07 H new ATOM 0 HB ILE A 36 39.165 33.284 18.020 1.00 49.91 H new ATOM 0 HG12 ILE A 36 40.625 35.654 19.211 1.00 49.82 H new ATOM 0 HG13 ILE A 36 40.474 35.443 17.478 1.00 49.82 H new ATOM 0 HG21 ILE A 36 38.786 33.781 20.403 1.00 49.73 H new ATOM 0 HG22 ILE A 36 39.666 32.251 20.181 1.00 49.73 H new ATOM 0 HG23 ILE A 36 40.541 33.714 20.692 1.00 49.73 H new ATOM 0 HD11 ILE A 36 38.733 36.929 18.335 1.00 49.73 H new ATOM 0 HD12 ILE A 36 38.015 35.438 17.680 1.00 49.73 H new ATOM 0 HD13 ILE A 36 38.169 35.652 19.440 1.00 49.73 H new ATOM 580 N PRO A 37 41.843 31.069 19.405 1.00 49.71 N ATOM 581 CA PRO A 37 41.836 29.635 19.744 1.00 50.02 C ATOM 582 C PRO A 37 40.415 29.115 19.867 1.00 50.51 C ATOM 583 O PRO A 37 39.585 29.800 20.521 1.00 49.49 O ATOM 584 CB PRO A 37 42.512 29.671 21.149 1.00 49.82 C ATOM 585 CG PRO A 37 43.454 30.833 21.053 1.00 49.82 C ATOM 586 CD PRO A 37 42.585 31.899 20.399 1.00 50.00 C ATOM 0 HA PRO A 37 42.323 28.995 19.008 1.00 50.02 H new ATOM 0 HB2 PRO A 37 41.779 29.813 21.944 1.00 49.82 H new ATOM 0 HB3 PRO A 37 43.040 28.742 21.364 1.00 49.82 H new ATOM 0 HG2 PRO A 37 43.815 31.147 22.033 1.00 49.82 H new ATOM 0 HG3 PRO A 37 44.331 30.597 20.451 1.00 49.82 H new ATOM 0 HD2 PRO A 37 41.920 32.387 21.112 1.00 50.00 H new ATOM 0 HD3 PRO A 37 43.176 32.683 19.926 1.00 50.00 H new ATOM 594 N PRO A 38 40.119 27.954 19.337 1.00 49.71 N ATOM 595 CA PRO A 38 38.750 27.419 19.419 1.00 50.02 C ATOM 596 C PRO A 38 38.244 27.286 20.831 1.00 50.51 C ATOM 597 O PRO A 38 37.026 27.435 21.119 1.00 49.49 O ATOM 598 CB PRO A 38 38.830 26.109 18.640 1.00 49.82 C ATOM 599 CG PRO A 38 39.946 26.376 17.633 1.00 49.82 C ATOM 600 CD PRO A 38 40.995 27.069 18.528 1.00 50.00 C ATOM 0 HA PRO A 38 38.006 28.091 18.991 1.00 50.02 H new ATOM 0 HB2 PRO A 38 39.066 25.267 19.290 1.00 49.82 H new ATOM 0 HB3 PRO A 38 37.887 25.875 18.145 1.00 49.82 H new ATOM 0 HG2 PRO A 38 40.327 25.457 17.187 1.00 49.82 H new ATOM 0 HG3 PRO A 38 39.617 27.015 16.814 1.00 49.82 H new ATOM 0 HD2 PRO A 38 41.549 26.360 19.143 1.00 50.00 H new ATOM 0 HD3 PRO A 38 41.729 27.629 17.949 1.00 50.00 H new ATOM 608 N ASP A 39 39.112 27.009 21.774 1.00 49.53 N ATOM 609 CA ASP A 39 38.679 26.806 23.183 1.00 50.07 C ATOM 610 C ASP A 39 38.269 28.094 23.886 1.00 50.51 C ATOM 611 O ASP A 39 37.878 28.121 25.086 1.00 49.49 O ATOM 612 CB ASP A 39 39.789 26.117 23.981 1.00 49.72 C ATOM 613 CG ASP A 39 41.132 26.833 23.939 1.00 50.62 C ATOM 614 OD1 ASP A 39 41.150 28.030 24.093 1.00 49.24 O ATOM 615 OD2 ASP A 39 42.137 26.164 23.911 1.00 49.24 O ATOM 0 H ASP A 39 40.116 26.915 21.620 1.00 49.53 H new ATOM 0 HA ASP A 39 37.792 26.174 23.141 1.00 50.07 H new ATOM 0 HB2 ASP A 39 39.471 26.028 25.020 1.00 49.72 H new ATOM 0 HB3 ASP A 39 39.919 25.104 23.599 1.00 49.72 H new ATOM 620 N GLN A 40 38.245 29.191 23.146 1.00 49.53 N ATOM 621 CA GLN A 40 37.828 30.478 23.753 1.00 50.07 C ATOM 622 C GLN A 40 36.475 30.977 23.213 1.00 50.51 C ATOM 623 O GLN A 40 35.952 31.954 23.737 1.00 49.49 O ATOM 624 CB GLN A 40 38.898 31.546 23.517 1.00 49.82 C ATOM 625 CG GLN A 40 40.180 31.329 24.302 1.00 49.82 C ATOM 626 CD GLN A 40 41.099 32.535 24.256 1.00 50.55 C ATOM 627 OE1 GLN A 40 41.739 32.807 23.236 1.00 49.45 O ATOM 628 NE2 GLN A 40 41.174 33.264 25.363 1.00 49.38 N ATOM 0 H GLN A 40 38.496 29.235 22.158 1.00 49.53 H new ATOM 0 HA GLN A 40 37.709 30.298 24.821 1.00 50.07 H new ATOM 0 HB2 GLN A 40 39.137 31.576 22.454 1.00 49.82 H new ATOM 0 HB3 GLN A 40 38.486 32.521 23.778 1.00 49.82 H new ATOM 0 HG2 GLN A 40 39.933 31.103 25.339 1.00 49.82 H new ATOM 0 HG3 GLN A 40 40.704 30.461 23.903 1.00 49.82 H new ATOM 0 HE21 GLN A 40 40.627 33.003 26.184 1.00 49.38 H new ATOM 0 HE22 GLN A 40 41.778 34.085 25.393 1.00 49.38 H new ATOM 637 N GLN A 41 35.927 30.315 22.218 1.00 49.53 N ATOM 638 CA GLN A 41 34.690 30.703 21.586 1.00 50.07 C ATOM 639 C GLN A 41 33.517 29.855 22.029 1.00 50.51 C ATOM 640 O GLN A 41 33.453 28.642 21.897 1.00 49.49 O ATOM 641 CB GLN A 41 34.827 30.629 20.063 1.00 49.82 C ATOM 642 CG GLN A 41 35.992 31.427 19.503 1.00 49.82 C ATOM 643 CD GLN A 41 35.803 31.777 18.039 1.00 50.55 C ATOM 644 OE1 GLN A 41 34.626 31.471 17.506 1.00 49.45 O flip ATOM 645 NE2 GLN A 41 36.705 32.319 17.395 1.00 49.38 N flip ATOM 0 H GLN A 41 36.341 29.473 21.818 1.00 49.53 H new ATOM 0 HA GLN A 41 34.489 31.729 21.895 1.00 50.07 H new ATOM 0 HB2 GLN A 41 34.942 29.585 19.770 1.00 49.82 H new ATOM 0 HB3 GLN A 41 33.904 30.988 19.609 1.00 49.82 H new ATOM 0 HG2 GLN A 41 36.112 32.344 20.080 1.00 49.82 H new ATOM 0 HG3 GLN A 41 36.912 30.854 19.621 1.00 49.82 H new ATOM 0 HE21 GLN A 41 37.594 32.536 17.846 1.00 49.38 H new ATOM 0 HE22 GLN A 41 36.562 32.550 16.412 1.00 49.38 H new ATOM 654 N ARG A 42 32.445 30.547 22.407 1.00 49.53 N ATOM 655 CA ARG A 42 31.145 29.867 22.706 1.00 50.07 C ATOM 656 C ARG A 42 30.149 30.251 21.635 1.00 50.51 C ATOM 657 O ARG A 42 29.938 31.519 21.464 1.00 49.49 O ATOM 658 CB ARG A 42 30.630 30.178 24.104 1.00 49.82 C ATOM 659 CG ARG A 42 29.204 29.724 24.376 1.00 49.82 C ATOM 660 CD ARG A 42 28.724 30.006 25.752 1.00 50.20 C ATOM 661 NE ARG A 42 28.447 31.408 26.020 1.00 49.30 N ATOM 662 CZ ARG A 42 28.345 31.948 27.250 1.00 50.64 C ATOM 663 NH1 ARG A 42 28.461 31.202 28.327 1.00 49.20 N ATOM 664 NH2 ARG A 42 28.104 33.243 27.346 1.00 49.20 N ATOM 0 H ARG A 42 32.429 31.561 22.518 1.00 49.53 H new ATOM 0 HA ARG A 42 31.297 28.788 22.693 1.00 50.07 H new ATOM 0 HB2 ARG A 42 31.291 29.708 24.832 1.00 49.82 H new ATOM 0 HB3 ARG A 42 30.691 31.254 24.267 1.00 49.82 H new ATOM 0 HG2 ARG A 42 28.538 30.212 23.665 1.00 49.82 H new ATOM 0 HG3 ARG A 42 29.136 28.652 24.193 1.00 49.82 H new ATOM 0 HD2 ARG A 42 27.817 29.429 25.932 1.00 50.20 H new ATOM 0 HD3 ARG A 42 29.472 29.654 26.463 1.00 50.20 H new ATOM 0 HE ARG A 42 28.321 32.027 25.219 1.00 49.30 H new ATOM 0 HH11 ARG A 42 28.631 30.200 28.238 1.00 49.20 H new ATOM 0 HH12 ARG A 42 28.381 31.625 29.252 1.00 49.20 H new ATOM 0 HH21 ARG A 42 28.000 33.806 26.502 1.00 49.20 H new ATOM 0 HH22 ARG A 42 28.022 33.680 28.264 1.00 49.20 H new ATOM 678 N LEU A 43 29.605 29.303 20.875 1.00 49.53 N ATOM 679 CA LEU A 43 28.666 29.645 19.777 1.00 50.07 C ATOM 680 C LEU A 43 27.272 29.369 20.329 1.00 50.51 C ATOM 681 O LEU A 43 27.159 28.664 21.342 1.00 49.49 O ATOM 682 CB LEU A 43 28.949 28.803 18.526 1.00 49.82 C ATOM 683 CG LEU A 43 30.345 28.988 17.917 1.00 49.91 C ATOM 684 CD1 LEU A 43 30.530 28.040 16.740 1.00 49.73 C ATOM 685 CD2 LEU A 43 30.521 30.434 17.478 1.00 49.73 C ATOM 0 H LEU A 43 29.786 28.305 20.985 1.00 49.53 H new ATOM 0 HA LEU A 43 28.772 30.685 19.467 1.00 50.07 H new ATOM 0 HB2 LEU A 43 28.816 27.751 18.778 1.00 49.82 H new ATOM 0 HB3 LEU A 43 28.204 29.046 17.768 1.00 49.82 H new ATOM 0 HG LEU A 43 31.102 28.755 18.665 1.00 49.91 H new ATOM 0 HD11 LEU A 43 31.524 28.178 16.314 1.00 49.73 H new ATOM 0 HD12 LEU A 43 30.422 27.011 17.081 1.00 49.73 H new ATOM 0 HD13 LEU A 43 29.777 28.251 15.981 1.00 49.73 H new ATOM 0 HD21 LEU A 43 31.513 30.565 17.045 1.00 49.73 H new ATOM 0 HD22 LEU A 43 29.765 30.683 16.733 1.00 49.73 H new ATOM 0 HD23 LEU A 43 30.412 31.092 18.340 1.00 49.73 H new ATOM 697 N ILE A 44 26.272 29.994 19.718 1.00 49.53 N ATOM 698 CA ILE A 44 24.883 29.882 20.149 1.00 50.07 C ATOM 699 C ILE A 44 23.797 29.713 19.093 1.00 50.51 C ATOM 700 O ILE A 44 23.761 30.389 18.085 1.00 49.49 O ATOM 701 CB ILE A 44 24.498 31.088 21.025 1.00 49.91 C ATOM 702 CG1 ILE A 44 25.379 31.142 22.276 1.00 49.82 C ATOM 703 CG2 ILE A 44 23.027 31.020 21.407 1.00 49.73 C ATOM 704 CD1 ILE A 44 25.055 32.292 23.202 1.00 49.73 C ATOM 0 H ILE A 44 26.403 30.596 18.905 1.00 49.53 H new ATOM 0 HA ILE A 44 24.896 28.931 20.681 1.00 50.07 H new ATOM 0 HB ILE A 44 24.661 32.000 20.451 1.00 49.91 H new ATOM 0 HG12 ILE A 44 25.273 30.206 22.824 1.00 49.82 H new ATOM 0 HG13 ILE A 44 26.423 31.217 21.971 1.00 49.82 H new ATOM 0 HG21 ILE A 44 22.772 31.880 22.026 1.00 49.73 H new ATOM 0 HG22 ILE A 44 22.416 31.028 20.504 1.00 49.73 H new ATOM 0 HG23 ILE A 44 22.838 30.103 21.965 1.00 49.73 H new ATOM 0 HD11 ILE A 44 25.721 32.263 24.065 1.00 49.73 H new ATOM 0 HD12 ILE A 44 25.189 33.235 22.672 1.00 49.73 H new ATOM 0 HD13 ILE A 44 24.022 32.208 23.538 1.00 49.73 H new ATOM 716 N PHE A 45 22.863 28.770 19.388 1.00 49.53 N ATOM 717 CA PHE A 45 21.717 28.517 18.500 1.00 50.07 C ATOM 718 C PHE A 45 20.339 28.548 19.188 1.00 50.51 C ATOM 719 O PHE A 45 20.019 27.740 20.059 1.00 49.49 O ATOM 720 CB PHE A 45 21.899 27.175 17.789 1.00 49.82 C ATOM 721 CG PHE A 45 20.722 26.770 16.948 1.00 50.00 C ATOM 722 CD1 PHE A 45 20.526 27.324 15.691 1.00 49.88 C ATOM 723 CD2 PHE A 45 19.807 25.837 17.412 1.00 49.88 C ATOM 724 CE1 PHE A 45 19.444 26.953 14.917 1.00 49.88 C ATOM 725 CE2 PHE A 45 18.726 25.463 16.639 1.00 49.88 C ATOM 726 CZ PHE A 45 18.543 26.023 15.390 1.00 49.88 C ATOM 0 H PHE A 45 22.887 28.185 20.223 1.00 49.53 H new ATOM 0 HA PHE A 45 21.713 29.346 17.792 1.00 50.07 H new ATOM 0 HB2 PHE A 45 22.785 27.227 17.156 1.00 49.82 H new ATOM 0 HB3 PHE A 45 22.084 26.402 18.534 1.00 49.82 H new ATOM 0 HD1 PHE A 45 21.227 28.053 15.314 1.00 49.88 H new ATOM 0 HD2 PHE A 45 19.942 25.398 18.389 1.00 49.88 H new ATOM 0 HE1 PHE A 45 19.304 27.392 13.940 1.00 49.88 H new ATOM 0 HE2 PHE A 45 18.023 24.732 17.011 1.00 49.88 H new ATOM 0 HZ PHE A 45 17.696 25.733 14.785 1.00 49.88 H new ATOM 736 N ALA A 46 19.610 29.563 18.791 1.00 49.53 N ATOM 737 CA ALA A 46 18.226 29.795 19.252 1.00 50.07 C ATOM 738 C ALA A 46 18.215 29.962 20.764 1.00 50.51 C ATOM 739 O ALA A 46 17.223 29.662 21.446 1.00 49.49 O ATOM 740 CB ALA A 46 17.336 28.668 18.834 1.00 49.73 C ATOM 0 H ALA A 46 19.946 30.267 18.134 1.00 49.53 H new ATOM 0 HA ALA A 46 17.845 30.707 18.794 1.00 50.07 H new ATOM 0 HB1 ALA A 46 16.321 28.857 19.183 1.00 49.73 H new ATOM 0 HB2 ALA A 46 17.337 28.588 17.747 1.00 49.73 H new ATOM 0 HB3 ALA A 46 17.701 27.737 19.267 1.00 49.73 H new ATOM 746 N GLY A 47 19.297 30.491 21.254 1.00 49.53 N ATOM 747 CA GLY A 47 19.610 30.774 22.623 1.00 49.98 C ATOM 748 C GLY A 47 20.063 29.620 23.478 1.00 50.51 C ATOM 749 O GLY A 47 20.049 29.730 24.724 1.00 49.49 O ATOM 0 H GLY A 47 20.063 30.763 20.638 1.00 49.53 H new ATOM 0 HA2 GLY A 47 20.391 31.535 22.641 1.00 49.98 H new ATOM 0 HA3 GLY A 47 18.727 31.213 23.088 1.00 49.98 H new ATOM 753 N LYS A 48 20.511 28.550 22.878 1.00 49.53 N ATOM 754 CA LYS A 48 21.024 27.387 23.616 1.00 50.07 C ATOM 755 C LYS A 48 22.545 27.215 23.441 1.00 50.51 C ATOM 756 O LYS A 48 23.055 27.613 22.404 1.00 49.49 O ATOM 757 CB LYS A 48 20.300 26.114 23.173 1.00 49.82 C ATOM 758 CG LYS A 48 18.781 26.208 23.213 1.00 49.82 C ATOM 759 CD LYS A 48 18.258 26.126 24.639 1.00 49.82 C ATOM 760 CE LYS A 48 16.737 26.125 24.672 1.00 50.21 C ATOM 761 NZ LYS A 48 16.174 27.477 24.402 1.00 49.70 N ATOM 0 H LYS A 48 20.538 28.443 21.864 1.00 49.53 H new ATOM 0 HA LYS A 48 20.831 27.565 24.674 1.00 50.07 H new ATOM 0 HB2 LYS A 48 20.610 25.869 22.157 1.00 49.82 H new ATOM 0 HB3 LYS A 48 20.618 25.289 23.811 1.00 49.82 H new ATOM 0 HG2 LYS A 48 18.461 27.146 22.760 1.00 49.82 H new ATOM 0 HG3 LYS A 48 18.349 25.403 22.618 1.00 49.82 H new ATOM 0 HD2 LYS A 48 18.635 25.221 25.115 1.00 49.82 H new ATOM 0 HD3 LYS A 48 18.636 26.970 25.216 1.00 49.82 H new ATOM 0 HE2 LYS A 48 16.358 25.420 23.932 1.00 50.21 H new ATOM 0 HE3 LYS A 48 16.395 25.778 25.647 1.00 50.21 H new ATOM 0 HZ1 LYS A 48 15.135 27.433 24.434 1.00 49.70 H new ATOM 0 HZ2 LYS A 48 16.514 28.145 25.123 1.00 49.70 H new ATOM 0 HZ3 LYS A 48 16.478 27.798 23.461 1.00 49.70 H new ATOM 775 N GLN A 49 23.207 26.641 24.408 1.00 49.53 N ATOM 776 CA GLN A 49 24.657 26.338 24.245 1.00 50.07 C ATOM 777 C GLN A 49 24.949 25.221 23.247 1.00 50.51 C ATOM 778 O GLN A 49 24.044 24.383 23.000 1.00 49.49 O ATOM 779 CB GLN A 49 25.273 25.977 25.599 1.00 49.82 C ATOM 780 CG GLN A 49 25.575 27.173 26.485 1.00 49.82 C ATOM 781 CD GLN A 49 24.318 27.811 27.045 1.00 50.55 C ATOM 782 OE1 GLN A 49 23.319 27.130 27.295 1.00 49.45 O ATOM 783 NE2 GLN A 49 24.358 29.124 27.241 1.00 49.38 N ATOM 0 H GLN A 49 22.806 26.368 25.305 1.00 49.53 H new ATOM 0 HA GLN A 49 25.107 27.245 23.842 1.00 50.07 H new ATOM 0 HB2 GLN A 49 24.593 25.310 26.128 1.00 49.82 H new ATOM 0 HB3 GLN A 49 26.196 25.423 25.429 1.00 49.82 H new ATOM 0 HG2 GLN A 49 26.217 26.859 27.308 1.00 49.82 H new ATOM 0 HG3 GLN A 49 26.131 27.915 25.912 1.00 49.82 H new ATOM 0 HE21 GLN A 49 25.205 29.647 27.020 1.00 49.38 H new ATOM 0 HE22 GLN A 49 23.541 29.609 27.612 1.00 49.38 H new ATOM 792 N LEU A 50 26.119 25.220 22.652 1.00 49.53 N ATOM 793 CA LEU A 50 26.472 24.242 21.609 1.00 50.07 C ATOM 794 C LEU A 50 27.636 23.395 22.093 1.00 50.51 C ATOM 795 O LEU A 50 28.545 23.958 22.670 1.00 49.49 O ATOM 796 CB LEU A 50 26.828 24.958 20.301 1.00 49.82 C ATOM 797 CG LEU A 50 25.696 25.787 19.680 1.00 49.91 C ATOM 798 CD1 LEU A 50 26.202 26.519 18.444 1.00 49.73 C ATOM 799 CD2 LEU A 50 24.533 24.872 19.326 1.00 49.73 C ATOM 0 H LEU A 50 26.861 25.887 22.865 1.00 49.53 H new ATOM 0 HA LEU A 50 25.616 23.596 21.413 1.00 50.07 H new ATOM 0 HB2 LEU A 50 27.679 25.614 20.485 1.00 49.82 H new ATOM 0 HB3 LEU A 50 27.152 24.213 19.574 1.00 49.82 H new ATOM 0 HG LEU A 50 25.352 26.530 20.399 1.00 49.91 H new ATOM 0 HD11 LEU A 50 25.391 27.105 18.011 1.00 49.73 H new ATOM 0 HD12 LEU A 50 27.020 27.183 18.724 1.00 49.73 H new ATOM 0 HD13 LEU A 50 26.558 25.794 17.712 1.00 49.73 H new ATOM 0 HD21 LEU A 50 23.728 25.460 18.885 1.00 49.73 H new ATOM 0 HD22 LEU A 50 24.866 24.120 18.611 1.00 49.73 H new ATOM 0 HD23 LEU A 50 24.170 24.380 20.228 1.00 49.73 H new ATOM 811 N GLU A 51 27.606 22.092 21.805 1.00 49.53 N ATOM 812 CA GLU A 51 28.676 21.192 22.286 1.00 50.07 C ATOM 813 C GLU A 51 29.676 20.801 21.233 1.00 50.51 C ATOM 814 O GLU A 51 29.274 20.477 20.117 1.00 49.49 O ATOM 815 CB GLU A 51 28.062 19.933 22.901 1.00 49.82 C ATOM 816 CG GLU A 51 29.075 18.967 23.499 1.00 49.72 C ATOM 817 CD GLU A 51 28.397 17.773 24.112 1.00 50.62 C ATOM 818 OE1 GLU A 51 27.549 17.962 24.950 1.00 49.24 O ATOM 819 OE2 GLU A 51 28.646 16.679 23.664 1.00 49.24 O ATOM 0 H GLU A 51 26.876 21.638 21.256 1.00 49.53 H new ATOM 0 HA GLU A 51 29.228 21.761 23.034 1.00 50.07 H new ATOM 0 HB2 GLU A 51 27.358 20.229 23.679 1.00 49.82 H new ATOM 0 HB3 GLU A 51 27.489 19.411 22.134 1.00 49.82 H new ATOM 0 HG2 GLU A 51 29.767 18.637 22.724 1.00 49.72 H new ATOM 0 HG3 GLU A 51 29.667 19.481 24.257 1.00 49.72 H new ATOM 826 N ASP A 52 30.955 20.808 21.517 1.00 49.53 N ATOM 827 CA ASP A 52 32.045 20.540 20.586 1.00 50.07 C ATOM 828 C ASP A 52 31.958 19.185 19.906 1.00 50.51 C ATOM 829 O ASP A 52 32.080 19.131 18.650 1.00 49.49 O ATOM 830 CB ASP A 52 33.392 20.667 21.303 1.00 49.72 C ATOM 831 CG ASP A 52 33.797 22.098 21.631 1.00 50.62 C ATOM 832 OD1 ASP A 52 33.059 22.995 21.297 1.00 49.24 O ATOM 833 OD2 ASP A 52 34.753 22.274 22.346 1.00 49.24 O ATOM 0 H ASP A 52 31.292 21.012 22.458 1.00 49.53 H new ATOM 0 HA ASP A 52 31.955 21.288 19.798 1.00 50.07 H new ATOM 0 HB2 ASP A 52 33.353 20.092 22.228 1.00 49.72 H new ATOM 0 HB3 ASP A 52 34.165 20.217 20.680 1.00 49.72 H new ATOM 838 N GLY A 53 31.883 18.118 20.671 1.00 49.53 N ATOM 839 CA GLY A 53 31.851 16.732 20.169 1.00 49.98 C ATOM 840 C GLY A 53 30.570 16.313 19.528 1.00 50.51 C ATOM 841 O GLY A 53 30.358 15.110 19.245 1.00 49.49 O ATOM 0 H GLY A 53 31.841 18.175 21.689 1.00 49.53 H new ATOM 0 HA2 GLY A 53 32.657 16.607 19.446 1.00 49.98 H new ATOM 0 HA3 GLY A 53 32.060 16.058 21.000 1.00 49.98 H new ATOM 845 N ARG A 54 29.658 17.233 19.238 1.00 49.53 N ATOM 846 CA ARG A 54 28.401 16.904 18.536 1.00 50.07 C ATOM 847 C ARG A 54 28.442 17.411 17.102 1.00 50.51 C ATOM 848 O ARG A 54 29.268 18.282 16.760 1.00 49.49 O ATOM 849 CB ARG A 54 27.174 17.417 19.277 1.00 49.82 C ATOM 850 CG ARG A 54 27.032 16.911 20.704 1.00 49.82 C ATOM 851 CD ARG A 54 25.804 17.376 21.399 1.00 50.20 C ATOM 852 NE ARG A 54 24.562 16.909 20.806 1.00 49.30 N ATOM 853 CZ ARG A 54 24.039 15.682 20.995 1.00 50.64 C ATOM 854 NH1 ARG A 54 24.661 14.785 21.728 1.00 49.20 N ATOM 855 NH2 ARG A 54 22.891 15.394 20.405 1.00 49.20 N ATOM 0 H ARG A 54 29.757 18.220 19.475 1.00 49.53 H new ATOM 0 HA ARG A 54 28.313 15.818 18.512 1.00 50.07 H new ATOM 0 HB2 ARG A 54 27.207 18.506 19.294 1.00 49.82 H new ATOM 0 HB3 ARG A 54 26.283 17.134 18.716 1.00 49.82 H new ATOM 0 HG2 ARG A 54 27.038 15.821 20.693 1.00 49.82 H new ATOM 0 HG3 ARG A 54 27.902 17.229 21.278 1.00 49.82 H new ATOM 0 HD2 ARG A 54 25.843 17.046 22.437 1.00 50.20 H new ATOM 0 HD3 ARG A 54 25.799 18.466 21.411 1.00 50.20 H new ATOM 0 HE ARG A 54 24.051 17.555 20.205 1.00 49.30 H new ATOM 0 HH11 ARG A 54 25.554 15.013 22.164 1.00 49.20 H new ATOM 0 HH12 ARG A 54 24.250 13.861 21.860 1.00 49.20 H new ATOM 0 HH21 ARG A 54 22.426 16.093 19.825 1.00 49.20 H new ATOM 0 HH22 ARG A 54 22.471 14.473 20.530 1.00 49.20 H new ATOM 869 N THR A 55 27.516 16.958 16.294 1.00 49.53 N ATOM 870 CA THR A 55 27.364 17.387 14.885 1.00 50.07 C ATOM 871 C THR A 55 26.427 18.605 14.714 1.00 50.51 C ATOM 872 O THR A 55 25.637 18.909 15.601 1.00 49.49 O ATOM 873 CB THR A 55 26.841 16.235 14.006 1.00 50.14 C ATOM 874 OG1 THR A 55 25.459 15.997 14.300 1.00 49.34 O ATOM 875 CG2 THR A 55 27.637 14.965 14.261 1.00 49.73 C ATOM 0 H THR A 55 26.823 16.267 16.582 1.00 49.53 H new ATOM 0 HA THR A 55 28.363 17.683 14.565 1.00 50.07 H new ATOM 0 HB THR A 55 26.954 16.516 12.959 1.00 50.14 H new ATOM 0 HG1 THR A 55 24.940 16.012 13.469 1.00 49.34 H new ATOM 0 HG21 THR A 55 27.253 14.162 13.631 1.00 49.73 H new ATOM 0 HG22 THR A 55 28.687 15.140 14.026 1.00 49.73 H new ATOM 0 HG23 THR A 55 27.542 14.681 15.309 1.00 49.73 H new ATOM 883 N LEU A 56 26.587 19.292 13.600 1.00 49.53 N ATOM 884 CA LEU A 56 25.735 20.443 13.254 1.00 50.07 C ATOM 885 C LEU A 56 24.329 19.967 12.902 1.00 50.51 C ATOM 886 O LEU A 56 23.397 20.664 13.199 1.00 49.49 O ATOM 887 CB LEU A 56 26.347 21.229 12.087 1.00 49.82 C ATOM 888 CG LEU A 56 27.651 21.968 12.410 1.00 49.91 C ATOM 889 CD1 LEU A 56 28.345 22.391 11.123 1.00 49.73 C ATOM 890 CD2 LEU A 56 27.347 23.179 13.281 1.00 49.73 C ATOM 0 H LEU A 56 27.303 19.080 12.905 1.00 49.53 H new ATOM 0 HA LEU A 56 25.672 21.106 14.117 1.00 50.07 H new ATOM 0 HB2 LEU A 56 26.533 20.539 11.264 1.00 49.82 H new ATOM 0 HB3 LEU A 56 25.614 21.955 11.735 1.00 49.82 H new ATOM 0 HG LEU A 56 28.320 21.302 12.955 1.00 49.91 H new ATOM 0 HD11 LEU A 56 29.270 22.915 11.364 1.00 49.73 H new ATOM 0 HD12 LEU A 56 28.573 21.508 10.525 1.00 49.73 H new ATOM 0 HD13 LEU A 56 27.690 23.053 10.557 1.00 49.73 H new ATOM 0 HD21 LEU A 56 28.274 23.704 13.510 1.00 49.73 H new ATOM 0 HD22 LEU A 56 26.672 23.850 12.749 1.00 49.73 H new ATOM 0 HD23 LEU A 56 26.877 22.851 14.208 1.00 49.73 H new ATOM 902 N SER A 57 24.208 18.729 12.379 1.00 49.53 N ATOM 903 CA SER A 57 22.842 18.270 12.025 1.00 50.07 C ATOM 904 C SER A 57 21.958 18.021 13.227 1.00 50.51 C ATOM 905 O SER A 57 20.696 18.062 13.113 1.00 49.49 O ATOM 906 CB SER A 57 22.927 17.015 11.179 1.00 50.05 C ATOM 907 OG SER A 57 23.658 16.001 11.813 1.00 49.34 O ATOM 0 H SER A 57 24.969 18.073 12.202 1.00 49.53 H new ATOM 0 HA SER A 57 22.377 19.079 11.462 1.00 50.07 H new ATOM 0 HB2 SER A 57 21.921 16.655 10.963 1.00 50.05 H new ATOM 0 HB3 SER A 57 23.393 17.254 10.223 1.00 50.05 H new ATOM 0 HG SER A 57 23.688 15.210 11.236 1.00 49.34 H new ATOM 913 N ASP A 58 22.561 17.799 14.382 1.00 49.53 N ATOM 914 CA ASP A 58 21.787 17.548 15.626 1.00 50.07 C ATOM 915 C ASP A 58 21.181 18.774 16.317 1.00 50.51 C ATOM 916 O ASP A 58 20.594 18.701 17.400 1.00 49.49 O ATOM 917 CB ASP A 58 22.660 16.791 16.630 1.00 49.72 C ATOM 918 CG ASP A 58 22.784 15.298 16.356 1.00 50.62 C ATOM 919 OD1 ASP A 58 22.038 14.799 15.547 1.00 49.24 O ATOM 920 OD2 ASP A 58 23.719 14.703 16.835 1.00 49.24 O ATOM 0 H ASP A 58 23.574 17.784 14.504 1.00 49.53 H new ATOM 0 HA ASP A 58 20.930 16.963 15.293 1.00 50.07 H new ATOM 0 HB2 ASP A 58 23.657 17.232 16.631 1.00 49.72 H new ATOM 0 HB3 ASP A 58 22.248 16.932 17.629 1.00 49.72 H new ATOM 925 N TYR A 59 21.506 19.920 15.791 1.00 49.53 N ATOM 926 CA TYR A 59 21.030 21.212 16.282 1.00 50.07 C ATOM 927 C TYR A 59 20.084 21.935 15.350 1.00 50.51 C ATOM 928 O TYR A 59 19.731 23.091 15.662 1.00 49.49 O ATOM 929 CB TYR A 59 22.220 22.119 16.600 1.00 49.82 C ATOM 930 CG TYR A 59 22.941 21.759 17.880 1.00 50.00 C ATOM 931 CD1 TYR A 59 22.431 22.137 19.114 1.00 49.88 C ATOM 932 CD2 TYR A 59 24.129 21.043 17.852 1.00 49.88 C ATOM 933 CE1 TYR A 59 23.084 21.812 20.285 1.00 49.88 C ATOM 934 CE2 TYR A 59 24.791 20.711 19.018 1.00 49.88 C ATOM 935 CZ TYR A 59 24.264 21.098 20.234 1.00 50.11 C ATOM 936 OH TYR A 59 24.920 20.772 21.399 1.00 49.46 O ATOM 0 H TYR A 59 22.126 20.000 14.985 1.00 49.53 H new ATOM 0 HA TYR A 59 20.454 20.986 17.179 1.00 50.07 H new ATOM 0 HB2 TYR A 59 22.928 22.077 15.772 1.00 49.82 H new ATOM 0 HB3 TYR A 59 21.871 23.149 16.669 1.00 49.82 H new ATOM 0 HD1 TYR A 59 21.507 22.695 19.158 1.00 49.88 H new ATOM 0 HD2 TYR A 59 24.543 20.740 16.902 1.00 49.88 H new ATOM 0 HE1 TYR A 59 22.674 22.115 21.237 1.00 49.88 H new ATOM 0 HE2 TYR A 59 25.715 20.152 18.979 1.00 49.88 H new ATOM 0 HH TYR A 59 24.403 20.098 21.888 1.00 49.46 H new ATOM 946 N ASN A 60 19.513 21.321 14.335 1.00 49.53 N ATOM 947 CA ASN A 60 18.593 22.067 13.452 1.00 50.07 C ATOM 948 C ASN A 60 19.160 23.375 12.913 1.00 50.51 C ATOM 949 O ASN A 60 18.410 24.303 12.549 1.00 49.49 O ATOM 950 CB ASN A 60 17.272 22.334 14.148 1.00 49.82 C ATOM 951 CG ASN A 60 16.436 21.101 14.353 1.00 50.55 C ATOM 952 OD1 ASN A 60 16.055 20.765 15.479 1.00 49.45 O ATOM 953 ND2 ASN A 60 16.218 20.382 13.281 1.00 49.38 N ATOM 0 H ASN A 60 19.652 20.340 14.092 1.00 49.53 H new ATOM 0 HA ASN A 60 18.441 21.418 12.590 1.00 50.07 H new ATOM 0 HB2 ASN A 60 17.468 22.794 15.116 1.00 49.82 H new ATOM 0 HB3 ASN A 60 16.702 23.055 13.562 1.00 49.82 H new ATOM 0 HD21 ASN A 60 15.712 19.499 13.353 1.00 49.38 H new ATOM 0 HD22 ASN A 60 16.554 20.705 12.374 1.00 49.38 H new ATOM 960 N ILE A 61 20.468 23.447 12.777 1.00 49.53 N ATOM 961 CA ILE A 61 21.121 24.647 12.170 1.00 50.07 C ATOM 962 C ILE A 61 20.808 24.614 10.677 1.00 50.51 C ATOM 963 O ILE A 61 21.513 23.812 9.996 1.00 49.49 O ATOM 964 CB ILE A 61 22.645 24.650 12.387 1.00 49.91 C ATOM 965 CG1 ILE A 61 22.973 24.697 13.882 1.00 49.82 C ATOM 966 CG2 ILE A 61 23.283 25.825 11.662 1.00 49.73 C ATOM 967 CD1 ILE A 61 24.436 24.485 14.193 1.00 49.73 C ATOM 0 H ILE A 61 21.115 22.713 13.066 1.00 49.53 H new ATOM 0 HA ILE A 61 20.738 25.551 12.644 1.00 50.07 H new ATOM 0 HB ILE A 61 23.055 23.728 11.974 1.00 49.91 H new ATOM 0 HG12 ILE A 61 22.662 25.662 14.282 1.00 49.82 H new ATOM 0 HG13 ILE A 61 22.388 23.935 14.397 1.00 49.82 H new ATOM 0 HG21 ILE A 61 24.361 25.812 11.826 1.00 49.73 H new ATOM 0 HG22 ILE A 61 23.077 25.749 10.594 1.00 49.73 H new ATOM 0 HG23 ILE A 61 22.869 26.757 12.046 1.00 49.73 H new ATOM 0 HD11 ILE A 61 24.589 24.532 15.271 1.00 49.73 H new ATOM 0 HD12 ILE A 61 24.748 23.508 13.824 1.00 49.73 H new ATOM 0 HD13 ILE A 61 25.027 25.262 13.708 1.00 49.73 H new ATOM 979 N GLN A 62 19.855 25.376 10.222 1.00 49.53 N ATOM 980 CA GLN A 62 19.413 25.381 8.796 1.00 50.07 C ATOM 981 C GLN A 62 20.040 26.543 8.023 1.00 50.51 C ATOM 982 O GLN A 62 20.559 27.488 8.643 1.00 49.49 O ATOM 983 CB GLN A 62 17.887 25.467 8.710 1.00 49.82 C ATOM 984 CG GLN A 62 17.165 24.204 9.147 1.00 49.82 C ATOM 985 CD GLN A 62 17.316 23.075 8.145 1.00 50.55 C ATOM 986 OE1 GLN A 62 17.744 21.971 8.494 1.00 49.45 O ATOM 987 NE2 GLN A 62 16.970 23.346 6.893 1.00 49.38 N ATOM 0 H GLN A 62 19.338 26.029 10.810 1.00 49.53 H new ATOM 0 HA GLN A 62 19.747 24.447 8.343 1.00 50.07 H new ATOM 0 HB2 GLN A 62 17.546 26.298 9.327 1.00 49.82 H new ATOM 0 HB3 GLN A 62 17.605 25.696 7.682 1.00 49.82 H new ATOM 0 HG2 GLN A 62 17.553 23.883 10.113 1.00 49.82 H new ATOM 0 HG3 GLN A 62 16.106 24.424 9.286 1.00 49.82 H new ATOM 0 HE21 GLN A 62 16.621 24.273 6.650 1.00 49.38 H new ATOM 0 HE22 GLN A 62 17.053 22.627 6.174 1.00 49.38 H new ATOM 996 N LYS A 63 20.027 26.480 6.692 1.00 49.53 N ATOM 997 CA LYS A 63 20.645 27.485 5.857 1.00 50.07 C ATOM 998 C LYS A 63 20.237 28.932 6.118 1.00 50.51 C ATOM 999 O LYS A 63 19.090 29.335 6.000 1.00 49.49 O ATOM 1000 CB LYS A 63 20.396 27.153 4.384 1.00 49.82 C ATOM 1001 CG LYS A 63 18.971 27.414 3.913 1.00 49.82 C ATOM 1002 CD LYS A 63 18.861 27.304 2.400 1.00 49.82 C ATOM 1003 CE LYS A 63 17.444 27.593 1.926 1.00 50.21 C ATOM 1004 NZ LYS A 63 17.293 27.377 0.461 1.00 49.70 N ATOM 0 H LYS A 63 19.584 25.724 6.170 1.00 49.53 H new ATOM 0 HA LYS A 63 21.702 27.441 6.120 1.00 50.07 H new ATOM 0 HB2 LYS A 63 21.081 27.738 3.771 1.00 49.82 H new ATOM 0 HB3 LYS A 63 20.635 26.103 4.215 1.00 49.82 H new ATOM 0 HG2 LYS A 63 18.294 26.700 4.382 1.00 49.82 H new ATOM 0 HG3 LYS A 63 18.657 28.408 4.231 1.00 49.82 H new ATOM 0 HD2 LYS A 63 19.553 28.003 1.931 1.00 49.82 H new ATOM 0 HD3 LYS A 63 19.156 26.303 2.084 1.00 49.82 H new ATOM 0 HE2 LYS A 63 16.744 26.951 2.461 1.00 50.21 H new ATOM 0 HE3 LYS A 63 17.183 28.623 2.170 1.00 50.21 H new ATOM 0 HZ1 LYS A 63 16.314 27.585 0.179 1.00 49.70 H new ATOM 0 HZ2 LYS A 63 17.942 28.007 -0.052 1.00 49.70 H new ATOM 0 HZ3 LYS A 63 17.517 26.388 0.231 1.00 49.70 H new ATOM 1018 N GLU A 64 21.271 29.697 6.497 1.00 49.53 N ATOM 1019 CA GLU A 64 21.198 31.102 6.803 1.00 50.07 C ATOM 1020 C GLU A 64 20.494 31.378 8.098 1.00 50.51 C ATOM 1021 O GLU A 64 19.604 32.259 8.202 1.00 49.49 O ATOM 1022 CB GLU A 64 20.505 31.855 5.665 1.00 49.82 C ATOM 1023 CG GLU A 64 21.058 31.550 4.281 1.00 49.72 C ATOM 1024 CD GLU A 64 20.169 32.107 3.203 1.00 50.62 C ATOM 1025 OE1 GLU A 64 20.114 33.306 3.065 1.00 49.24 O ATOM 1026 OE2 GLU A 64 19.634 31.334 2.444 1.00 49.24 O ATOM 0 H GLU A 64 22.214 29.321 6.598 1.00 49.53 H new ATOM 0 HA GLU A 64 22.224 31.455 6.912 1.00 50.07 H new ATOM 0 HB2 GLU A 64 19.442 31.613 5.680 1.00 49.82 H new ATOM 0 HB3 GLU A 64 20.591 32.926 5.849 1.00 49.82 H new ATOM 0 HG2 GLU A 64 22.058 31.973 4.185 1.00 49.72 H new ATOM 0 HG3 GLU A 64 21.154 30.472 4.155 1.00 49.72 H new ATOM 1033 N SER A 65 20.881 30.621 9.112 1.00 49.53 N ATOM 1034 CA SER A 65 20.402 30.802 10.488 1.00 50.07 C ATOM 1035 C SER A 65 21.601 31.530 11.139 1.00 50.51 C ATOM 1036 O SER A 65 22.735 31.370 10.698 1.00 49.49 O ATOM 1037 CB SER A 65 20.108 29.471 11.156 1.00 50.05 C ATOM 1038 OG SER A 65 21.235 28.639 11.188 1.00 49.34 O ATOM 0 H SER A 65 21.544 29.853 9.010 1.00 49.53 H new ATOM 0 HA SER A 65 19.463 31.350 10.567 1.00 50.07 H new ATOM 0 HB2 SER A 65 19.757 29.646 12.173 1.00 50.05 H new ATOM 0 HB3 SER A 65 19.301 28.968 10.623 1.00 50.05 H new ATOM 0 HG SER A 65 21.259 28.089 10.377 1.00 49.34 H new ATOM 1044 N THR A 66 21.338 32.324 12.143 1.00 49.53 N ATOM 1045 CA THR A 66 22.385 33.010 12.909 1.00 50.07 C ATOM 1046 C THR A 66 22.889 32.337 14.185 1.00 50.51 C ATOM 1047 O THR A 66 22.058 31.743 14.909 1.00 49.49 O ATOM 1048 CB THR A 66 21.937 34.437 13.275 1.00 50.14 C ATOM 1049 OG1 THR A 66 20.598 34.402 13.785 1.00 49.34 O ATOM 1050 CG2 THR A 66 21.988 35.342 12.055 1.00 49.73 C ATOM 0 H THR A 66 20.392 32.524 12.467 1.00 49.53 H new ATOM 0 HA THR A 66 23.229 32.986 12.220 1.00 50.07 H new ATOM 0 HB THR A 66 22.613 34.831 14.034 1.00 50.14 H new ATOM 0 HG1 THR A 66 20.313 35.310 14.020 1.00 49.34 H new ATOM 0 HG21 THR A 66 21.668 36.346 12.333 1.00 49.73 H new ATOM 0 HG22 THR A 66 23.008 35.379 11.672 1.00 49.73 H new ATOM 0 HG23 THR A 66 21.325 34.951 11.284 1.00 49.73 H new ATOM 1058 N LEU A 67 24.202 32.379 14.435 1.00 49.53 N ATOM 1059 CA LEU A 67 24.735 31.847 15.694 1.00 50.07 C ATOM 1060 C LEU A 67 25.168 33.117 16.457 1.00 50.51 C ATOM 1061 O LEU A 67 25.482 34.075 15.732 1.00 49.49 O ATOM 1062 CB LEU A 67 25.916 30.901 15.446 1.00 49.82 C ATOM 1063 CG LEU A 67 25.660 29.794 14.415 1.00 49.91 C ATOM 1064 CD1 LEU A 67 26.930 28.982 14.195 1.00 49.73 C ATOM 1065 CD2 LEU A 67 24.526 28.902 14.898 1.00 49.73 C ATOM 0 H LEU A 67 24.900 32.766 13.800 1.00 49.53 H new ATOM 0 HA LEU A 67 24.011 31.249 16.247 1.00 50.07 H new ATOM 0 HB2 LEU A 67 26.771 31.491 15.117 1.00 49.82 H new ATOM 0 HB3 LEU A 67 26.194 30.437 16.392 1.00 49.82 H new ATOM 0 HG LEU A 67 25.373 30.242 13.464 1.00 49.91 H new ATOM 0 HD11 LEU A 67 26.739 28.199 13.462 1.00 49.73 H new ATOM 0 HD12 LEU A 67 27.721 29.636 13.829 1.00 49.73 H new ATOM 0 HD13 LEU A 67 27.240 28.529 15.137 1.00 49.73 H new ATOM 0 HD21 LEU A 67 24.344 28.116 14.165 1.00 49.73 H new ATOM 0 HD22 LEU A 67 24.798 28.452 15.853 1.00 49.73 H new ATOM 0 HD23 LEU A 67 23.622 29.498 15.022 1.00 49.73 H new ATOM 1077 N HIS A 68 25.155 33.080 17.740 1.00 49.53 N ATOM 1078 CA HIS A 68 25.610 34.265 18.508 1.00 50.07 C ATOM 1079 C HIS A 68 26.947 33.841 19.112 1.00 50.51 C ATOM 1080 O HIS A 68 27.022 32.841 19.859 1.00 49.49 O ATOM 1081 CB HIS A 68 24.606 34.651 19.600 1.00 49.92 C ATOM 1082 CG HIS A 68 23.406 35.381 19.083 1.00 50.22 C ATOM 1083 ND1 HIS A 68 22.369 34.742 18.436 1.00 49.30 N ATOM 1084 CD2 HIS A 68 23.078 36.693 19.115 1.00 49.95 C ATOM 1085 CE1 HIS A 68 21.453 35.631 18.094 1.00 50.25 C ATOM 1086 NE2 HIS A 68 21.860 36.822 18.494 1.00 49.64 N ATOM 0 H HIS A 68 24.850 32.284 18.301 1.00 49.53 H new ATOM 0 HA HIS A 68 25.702 35.148 17.876 1.00 50.07 H new ATOM 0 HB2 HIS A 68 24.277 33.748 20.115 1.00 49.92 H new ATOM 0 HB3 HIS A 68 25.109 35.274 20.340 1.00 49.92 H new ATOM 0 HD2 HIS A 68 23.664 37.490 19.548 1.00 49.95 H new ATOM 0 HE1 HIS A 68 20.529 35.420 17.576 1.00 50.25 H new ATOM 0 HE2 HIS A 68 21.352 37.697 18.363 1.00 49.64 H new ATOM 1094 N LEU A 69 27.987 34.616 18.854 1.00 49.53 N ATOM 1095 CA LEU A 69 29.303 34.364 19.431 1.00 50.07 C ATOM 1096 C LEU A 69 29.552 35.246 20.617 1.00 50.51 C ATOM 1097 O LEU A 69 29.534 36.515 20.429 1.00 49.49 O ATOM 1098 CB LEU A 69 30.394 34.573 18.373 1.00 49.82 C ATOM 1099 CG LEU A 69 31.834 34.542 18.904 1.00 49.91 C ATOM 1100 CD1 LEU A 69 32.203 33.127 19.330 1.00 49.73 C ATOM 1101 CD2 LEU A 69 32.784 35.046 17.829 1.00 49.73 C ATOM 0 H LEU A 69 27.947 35.432 18.244 1.00 49.53 H new ATOM 0 HA LEU A 69 29.332 33.328 19.770 1.00 50.07 H new ATOM 0 HB2 LEU A 69 30.289 33.803 17.609 1.00 49.82 H new ATOM 0 HB3 LEU A 69 30.225 35.532 17.884 1.00 49.82 H new ATOM 0 HG LEU A 69 31.914 35.192 19.775 1.00 49.91 H new ATOM 0 HD11 LEU A 69 33.226 33.115 19.705 1.00 49.73 H new ATOM 0 HD12 LEU A 69 31.525 32.795 20.116 1.00 49.73 H new ATOM 0 HD13 LEU A 69 32.123 32.457 18.474 1.00 49.73 H new ATOM 0 HD21 LEU A 69 33.806 35.024 18.207 1.00 49.73 H new ATOM 0 HD22 LEU A 69 32.709 34.408 16.949 1.00 49.73 H new ATOM 0 HD23 LEU A 69 32.519 36.068 17.560 1.00 49.73 H new ATOM 1113 N VAL A 70 29.733 34.713 21.782 1.00 49.53 N ATOM 1114 CA VAL A 70 30.089 35.544 22.968 1.00 50.07 C ATOM 1115 C VAL A 70 31.585 35.362 23.268 1.00 50.51 C ATOM 1116 O VAL A 70 32.122 34.254 23.039 1.00 49.49 O ATOM 1117 CB VAL A 70 29.265 35.156 24.209 1.00 49.91 C ATOM 1118 CG1 VAL A 70 29.692 35.983 25.413 1.00 49.73 C ATOM 1119 CG2 VAL A 70 27.779 35.337 23.941 1.00 49.73 C ATOM 0 H VAL A 70 29.649 33.715 21.974 1.00 49.53 H new ATOM 0 HA VAL A 70 29.865 36.585 22.737 1.00 50.07 H new ATOM 0 HB VAL A 70 29.450 34.105 24.429 1.00 49.91 H new ATOM 0 HG11 VAL A 70 29.099 35.695 26.281 1.00 49.73 H new ATOM 0 HG12 VAL A 70 30.747 35.806 25.620 1.00 49.73 H new ATOM 0 HG13 VAL A 70 29.536 37.041 25.202 1.00 49.73 H new ATOM 0 HG21 VAL A 70 27.212 35.058 24.829 1.00 49.73 H new ATOM 0 HG22 VAL A 70 27.578 36.380 23.695 1.00 49.73 H new ATOM 0 HG23 VAL A 70 27.480 34.703 23.106 1.00 49.73 H new ATOM 1129 N LEU A 71 32.242 36.400 23.731 1.00 49.53 N ATOM 1130 CA LEU A 71 33.677 36.302 24.077 1.00 50.07 C ATOM 1131 C LEU A 71 34.042 36.489 25.527 1.00 50.51 C ATOM 1132 O LEU A 71 33.763 37.543 26.132 1.00 49.49 O ATOM 1133 CB LEU A 71 34.474 37.297 23.224 1.00 49.82 C ATOM 1134 CG LEU A 71 34.598 36.931 21.740 1.00 49.91 C ATOM 1135 CD1 LEU A 71 35.112 38.125 20.948 1.00 49.73 C ATOM 1136 CD2 LEU A 71 35.533 35.740 21.587 1.00 49.73 C ATOM 0 H LEU A 71 31.829 37.320 23.882 1.00 49.53 H new ATOM 0 HA LEU A 71 33.934 35.264 23.864 1.00 50.07 H new ATOM 0 HB2 LEU A 71 34.003 38.277 23.302 1.00 49.82 H new ATOM 0 HB3 LEU A 71 35.476 37.390 23.644 1.00 49.82 H new ATOM 0 HG LEU A 71 33.617 36.660 21.349 1.00 49.91 H new ATOM 0 HD11 LEU A 71 35.196 37.854 19.896 1.00 49.73 H new ATOM 0 HD12 LEU A 71 34.417 38.958 21.054 1.00 49.73 H new ATOM 0 HD13 LEU A 71 36.091 38.419 21.327 1.00 49.73 H new ATOM 0 HD21 LEU A 71 35.621 35.480 20.532 1.00 49.73 H new ATOM 0 HD22 LEU A 71 36.516 35.997 21.981 1.00 49.73 H new ATOM 0 HD23 LEU A 71 35.132 34.889 22.138 1.00 49.73 H new ATOM 1148 N ARG A 72 34.640 35.521 26.113 1.00 49.53 N ATOM 1149 CA ARG A 72 35.113 35.580 27.513 1.00 50.07 C ATOM 1150 C ARG A 72 36.627 35.396 27.591 1.00 50.51 C ATOM 1151 O ARG A 72 36.981 34.183 27.741 1.00 49.49 O ATOM 1152 CB ARG A 72 34.384 34.588 28.407 1.00 49.82 C ATOM 1153 CG ARG A 72 34.723 34.692 29.886 1.00 49.82 C ATOM 1154 CD ARG A 72 34.152 33.605 30.722 1.00 50.20 C ATOM 1155 NE ARG A 72 32.698 33.584 30.774 1.00 49.30 N ATOM 1156 CZ ARG A 72 31.952 34.329 31.613 1.00 50.64 C ATOM 1157 NH1 ARG A 72 32.515 35.123 32.496 1.00 49.20 N ATOM 1158 NH2 ARG A 72 30.637 34.220 31.541 1.00 49.20 N ATOM 0 H ARG A 72 34.836 34.631 25.655 1.00 49.53 H new ATOM 0 HA ARG A 72 34.877 36.575 27.890 1.00 50.07 H new ATOM 0 HB2 ARG A 72 33.310 34.731 28.284 1.00 49.82 H new ATOM 0 HB3 ARG A 72 34.612 33.578 28.067 1.00 49.82 H new ATOM 0 HG2 ARG A 72 35.807 34.690 29.999 1.00 49.82 H new ATOM 0 HG3 ARG A 72 34.365 35.650 30.262 1.00 49.82 H new ATOM 0 HD2 ARG A 72 34.503 32.647 30.339 1.00 50.20 H new ATOM 0 HD3 ARG A 72 34.538 33.703 31.737 1.00 50.20 H new ATOM 0 HE ARG A 72 32.209 32.962 30.130 1.00 49.30 H new ATOM 0 HH11 ARG A 72 33.532 35.182 32.554 1.00 49.20 H new ATOM 0 HH12 ARG A 72 31.935 35.680 33.124 1.00 49.20 H new ATOM 0 HH21 ARG A 72 30.214 33.585 30.864 1.00 49.20 H new ATOM 0 HH22 ARG A 72 30.045 34.771 32.163 1.00 49.20 H new ATOM 1172 N LEU A 73 37.421 36.413 27.533 1.00 49.53 N ATOM 1173 CA LEU A 73 38.890 36.213 27.595 1.00 50.07 C ATOM 1174 C LEU A 73 39.239 35.453 28.868 1.00 50.51 C ATOM 1175 O LEU A 73 38.423 35.344 29.795 1.00 49.49 O ATOM 1176 CB LEU A 73 39.618 37.563 27.551 1.00 49.82 C ATOM 1177 CG LEU A 73 39.247 38.467 26.369 1.00 49.91 C ATOM 1178 CD1 LEU A 73 39.964 39.804 26.489 1.00 49.73 C ATOM 1179 CD2 LEU A 73 39.614 37.774 25.065 1.00 49.73 C ATOM 0 H LEU A 73 37.118 37.383 27.445 1.00 49.53 H new ATOM 0 HA LEU A 73 39.213 35.631 26.732 1.00 50.07 H new ATOM 0 HB2 LEU A 73 39.411 38.100 28.477 1.00 49.82 H new ATOM 0 HB3 LEU A 73 40.692 37.378 27.523 1.00 49.82 H new ATOM 0 HG LEU A 73 38.173 38.654 26.377 1.00 49.91 H new ATOM 0 HD11 LEU A 73 39.694 40.439 25.645 1.00 49.73 H new ATOM 0 HD12 LEU A 73 39.671 40.292 27.418 1.00 49.73 H new ATOM 0 HD13 LEU A 73 41.042 39.640 26.490 1.00 49.73 H new ATOM 0 HD21 LEU A 73 39.350 38.416 24.225 1.00 49.73 H new ATOM 0 HD22 LEU A 73 40.686 37.575 25.048 1.00 49.73 H new ATOM 0 HD23 LEU A 73 39.069 36.833 24.987 1.00 49.73 H new ATOM 1191 N ARG A 74 40.453 34.923 28.856 1.00 49.53 N ATOM 1192 CA ARG A 74 40.978 34.143 29.987 1.00 50.07 C ATOM 1193 C ARG A 74 41.659 35.007 31.044 1.00 50.51 C ATOM 1194 O ARG A 74 42.778 35.510 30.832 1.00 49.49 O ATOM 1195 CB ARG A 74 41.896 33.022 29.522 1.00 49.82 C ATOM 1196 CG ARG A 74 41.264 32.036 28.552 1.00 49.82 C ATOM 1197 CD ARG A 74 42.132 30.886 28.194 1.00 50.20 C ATOM 1198 NE ARG A 74 41.554 29.977 27.217 1.00 49.30 N ATOM 1199 CZ ARG A 74 40.683 28.992 27.509 1.00 50.64 C ATOM 1200 NH1 ARG A 74 40.314 28.760 28.749 1.00 49.20 N ATOM 1201 NH2 ARG A 74 40.226 28.248 26.517 1.00 49.20 N ATOM 0 H ARG A 74 41.103 35.015 28.075 1.00 49.53 H new ATOM 0 HA ARG A 74 40.109 33.691 30.466 1.00 50.07 H new ATOM 0 HB2 ARG A 74 42.773 33.463 29.048 1.00 49.82 H new ATOM 0 HB3 ARG A 74 42.248 32.474 30.396 1.00 49.82 H new ATOM 0 HG2 ARG A 74 40.341 31.656 28.989 1.00 49.82 H new ATOM 0 HG3 ARG A 74 40.990 32.567 27.640 1.00 49.82 H new ATOM 0 HD2 ARG A 74 43.076 31.267 27.804 1.00 50.20 H new ATOM 0 HD3 ARG A 74 42.364 30.326 29.100 1.00 50.20 H new ATOM 0 HE ARG A 74 41.828 30.094 26.241 1.00 49.30 H new ATOM 0 HH11 ARG A 74 40.688 29.330 29.508 1.00 49.20 H new ATOM 0 HH12 ARG A 74 39.653 28.010 28.953 1.00 49.20 H new ATOM 0 HH21 ARG A 74 40.534 28.427 25.561 1.00 49.20 H new ATOM 0 HH22 ARG A 74 39.565 27.495 26.707 1.00 49.20 H new ATOM 1215 N GLY A 75 40.871 35.377 32.048 1.00 49.53 N ATOM 1216 CA GLY A 75 41.332 36.192 33.163 1.00 49.98 C ATOM 1217 C GLY A 75 40.660 37.551 33.114 1.00 50.51 C ATOM 1218 O GLY A 75 39.794 37.831 32.267 1.00 49.49 O ATOM 0 H GLY A 75 39.887 35.117 32.110 1.00 49.53 H new ATOM 0 HA2 GLY A 75 41.104 35.697 34.107 1.00 49.98 H new ATOM 0 HA3 GLY A 75 42.415 36.309 33.118 1.00 49.98 H new ATOM 1222 N GLY A 76 40.879 38.291 34.184 1.00 49.53 N ATOM 1223 CA GLY A 76 40.358 39.652 34.382 1.00 49.98 C ATOM 1224 C GLY A 76 40.062 39.784 35.885 1.00 50.51 C ATOM 1225 O GLY A 76 38.963 40.290 36.190 1.00 49.49 O ATOM 0 H GLY A 76 41.440 37.962 34.970 1.00 49.53 H new ATOM 0 HA2 GLY A 76 41.086 40.398 34.062 1.00 49.98 H new ATOM 0 HA3 GLY A 76 39.456 39.813 33.792 1.00 49.98 H new