USER MOD reduce.3.24.130724 H: found=0, std=0, add=494, rem=0, adj=16 USER MOD reduce.3.24.130724 removed 494 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 Single : A 5 LYS NZ :NH3+ 163:sc= -0.0322 (180deg=-0.417) USER MOD Single : A 12 MET CE :methyl 148:sc= -1.18 (180deg=-2.33!) USER MOD Single : A 20 THR OG1 : rot 180:sc= -0.587 USER MOD Single : A 21 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Single : A 25 THR OG1 : rot 180:sc= 0 USER MOD Single : A 28 MET CE :methyl 153:sc= -0.184 (180deg=-1.3) USER MOD Single : A 30 LYS NZ :NH3+ -159:sc= -0.187 (180deg=-0.986) USER MOD Single : A 31 LYS NZ :NH3+ 163:sc= -0.0328 (180deg=-0.429) USER MOD Single : A 32 LYS NZ :NH3+ 162:sc= 0 (180deg=-0.131) USER MOD Single : B 5 LYS NZ :NH3+ 162:sc= -0.0455 (180deg=-0.424) USER MOD Single : B 12 MET CE :methyl 152:sc= -1.15 (180deg=-2.26!) USER MOD Single : B 20 THR OG1 : rot 180:sc= -0.549 USER MOD Single : B 21 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Single : B 25 THR OG1 : rot 180:sc= 0 USER MOD Single : B 28 MET CE :methyl 155:sc= -0.256 (180deg=-1.33!) USER MOD Single : B 30 LYS NZ :NH3+ -157:sc= -0.135 (180deg=-0.972) USER MOD Single : B 31 LYS NZ :NH3+ 163:sc= -0.0341 (180deg=-0.4) USER MOD Single : B 32 LYS NZ :NH3+ 164:sc=-0.00253 (180deg=-0.124) USER MOD ----------------------------------------------------------------- ATOM 1 N LYS A 5 0.727 -7.991 -0.325 1.00 0.00 N ATOM 2 CA LYS A 5 1.419 -6.862 0.357 1.00 0.00 C ATOM 3 C LYS A 5 2.065 -7.361 1.645 1.00 0.00 C ATOM 4 O LYS A 5 1.996 -6.703 2.683 1.00 0.00 O ATOM 5 CB LYS A 5 0.407 -5.759 0.669 1.00 0.00 C ATOM 6 CG LYS A 5 -0.045 -5.101 -0.635 1.00 0.00 C ATOM 7 CD LYS A 5 -1.046 -3.986 -0.324 1.00 0.00 C ATOM 8 CE LYS A 5 -1.447 -3.280 -1.623 1.00 0.00 C ATOM 9 NZ LYS A 5 -2.130 -4.249 -2.526 1.00 0.00 N ATOM 0 HA LYS A 5 2.195 -6.460 -0.295 1.00 0.00 H new ATOM 0 HB2 LYS A 5 -0.451 -6.176 1.195 1.00 0.00 H new ATOM 0 HB3 LYS A 5 0.855 -5.015 1.328 1.00 0.00 H new ATOM 0 HG2 LYS A 5 0.815 -4.694 -1.167 1.00 0.00 H new ATOM 0 HG3 LYS A 5 -0.503 -5.843 -1.290 1.00 0.00 H new ATOM 0 HD2 LYS A 5 -1.928 -4.401 0.164 1.00 0.00 H new ATOM 0 HD3 LYS A 5 -0.605 -3.270 0.370 1.00 0.00 H new ATOM 0 HE2 LYS A 5 -2.109 -2.442 -1.404 1.00 0.00 H new ATOM 0 HE3 LYS A 5 -0.564 -2.870 -2.114 1.00 0.00 H new ATOM 0 HZ1 LYS A 5 -2.650 -3.730 -3.262 1.00 0.00 H new ATOM 0 HZ2 LYS A 5 -1.422 -4.867 -2.972 1.00 0.00 H new ATOM 0 HZ3 LYS A 5 -2.796 -4.827 -1.975 1.00 0.00 H new ATOM 22 N GLY A 6 2.693 -8.528 1.568 1.00 0.00 N ATOM 23 CA GLY A 6 3.353 -9.112 2.729 1.00 0.00 C ATOM 24 C GLY A 6 4.673 -8.412 3.019 1.00 0.00 C ATOM 25 O GLY A 6 5.192 -8.483 4.131 1.00 0.00 O ATOM 0 H GLY A 6 2.759 -9.087 0.717 1.00 0.00 H new ATOM 0 HA2 GLY A 6 2.700 -9.037 3.598 1.00 0.00 H new ATOM 0 HA3 GLY A 6 3.531 -10.173 2.554 1.00 0.00 H new ATOM 29 N ALA A 7 5.216 -7.739 2.011 1.00 0.00 N ATOM 30 CA ALA A 7 6.478 -7.032 2.175 1.00 0.00 C ATOM 31 C ALA A 7 6.242 -5.670 2.817 1.00 0.00 C ATOM 32 O ALA A 7 7.139 -5.104 3.443 1.00 0.00 O ATOM 33 CB ALA A 7 7.150 -6.840 0.814 1.00 0.00 C ATOM 0 H ALA A 7 4.806 -7.669 1.080 1.00 0.00 H new ATOM 0 HA ALA A 7 7.126 -7.625 2.821 1.00 0.00 H new ATOM 0 HB1 ALA A 7 8.093 -6.310 0.946 1.00 0.00 H new ATOM 0 HB2 ALA A 7 7.340 -7.813 0.362 1.00 0.00 H new ATOM 0 HB3 ALA A 7 6.496 -6.259 0.164 1.00 0.00 H new ATOM 39 N ILE A 8 5.032 -5.143 2.650 1.00 0.00 N ATOM 40 CA ILE A 8 4.701 -3.840 3.212 1.00 0.00 C ATOM 41 C ILE A 8 4.782 -3.879 4.738 1.00 0.00 C ATOM 42 O ILE A 8 5.427 -3.031 5.349 1.00 0.00 O ATOM 43 CB ILE A 8 3.289 -3.427 2.785 1.00 0.00 C ATOM 44 CG1 ILE A 8 3.158 -3.514 1.255 1.00 0.00 C ATOM 45 CG2 ILE A 8 3.014 -1.994 3.245 1.00 0.00 C ATOM 46 CD1 ILE A 8 4.265 -2.708 0.565 1.00 0.00 C ATOM 0 H ILE A 8 4.274 -5.593 2.137 1.00 0.00 H new ATOM 0 HA ILE A 8 5.420 -3.111 2.838 1.00 0.00 H new ATOM 0 HB ILE A 8 2.565 -4.100 3.243 1.00 0.00 H new ATOM 0 HG12 ILE A 8 3.211 -4.556 0.940 1.00 0.00 H new ATOM 0 HG13 ILE A 8 2.183 -3.137 0.947 1.00 0.00 H new ATOM 0 HG21 ILE A 8 2.009 -1.701 2.941 1.00 0.00 H new ATOM 0 HG22 ILE A 8 3.095 -1.938 4.331 1.00 0.00 H new ATOM 0 HG23 ILE A 8 3.741 -1.320 2.792 1.00 0.00 H new ATOM 0 HD11 ILE A 8 4.151 -2.785 -0.516 1.00 0.00 H new ATOM 0 HD12 ILE A 8 4.194 -1.662 0.864 1.00 0.00 H new ATOM 0 HD13 ILE A 8 5.238 -3.103 0.856 1.00 0.00 H new ATOM 58 N ILE A 9 4.136 -4.878 5.341 1.00 0.00 N ATOM 59 CA ILE A 9 4.150 -5.025 6.798 1.00 0.00 C ATOM 60 C ILE A 9 5.550 -5.410 7.277 1.00 0.00 C ATOM 61 O ILE A 9 6.031 -4.931 8.301 1.00 0.00 O ATOM 62 CB ILE A 9 3.126 -6.084 7.230 1.00 0.00 C ATOM 63 CG1 ILE A 9 2.931 -6.037 8.756 1.00 0.00 C ATOM 64 CG2 ILE A 9 3.622 -7.468 6.831 1.00 0.00 C ATOM 65 CD1 ILE A 9 2.265 -4.719 9.179 1.00 0.00 C ATOM 0 H ILE A 9 3.600 -5.593 4.848 1.00 0.00 H new ATOM 0 HA ILE A 9 3.879 -4.072 7.252 1.00 0.00 H new ATOM 0 HB ILE A 9 2.175 -5.877 6.738 1.00 0.00 H new ATOM 0 HG12 ILE A 9 2.317 -6.879 9.075 1.00 0.00 H new ATOM 0 HG13 ILE A 9 3.895 -6.139 9.254 1.00 0.00 H new ATOM 0 HG21 ILE A 9 2.894 -8.218 7.139 1.00 0.00 H new ATOM 0 HG22 ILE A 9 3.752 -7.510 5.750 1.00 0.00 H new ATOM 0 HG23 ILE A 9 4.576 -7.667 7.319 1.00 0.00 H new ATOM 0 HD11 ILE A 9 2.137 -4.707 10.261 1.00 0.00 H new ATOM 0 HD12 ILE A 9 2.894 -3.881 8.879 1.00 0.00 H new ATOM 0 HD13 ILE A 9 1.291 -4.632 8.697 1.00 0.00 H new ATOM 77 N GLY A 10 6.197 -6.288 6.529 1.00 0.00 N ATOM 78 CA GLY A 10 7.536 -6.724 6.896 1.00 0.00 C ATOM 79 C GLY A 10 8.415 -5.515 7.217 1.00 0.00 C ATOM 80 O GLY A 10 8.923 -5.381 8.330 1.00 0.00 O ATOM 0 H GLY A 10 5.825 -6.708 5.677 1.00 0.00 H new ATOM 0 HA2 GLY A 10 7.487 -7.387 7.760 1.00 0.00 H new ATOM 0 HA3 GLY A 10 7.976 -7.297 6.080 1.00 0.00 H new ATOM 84 N LEU A 11 8.589 -4.642 6.229 1.00 0.00 N ATOM 85 CA LEU A 11 9.404 -3.442 6.397 1.00 0.00 C ATOM 86 C LEU A 11 8.740 -2.424 7.321 1.00 0.00 C ATOM 87 O LEU A 11 9.427 -1.643 7.979 1.00 0.00 O ATOM 88 CB LEU A 11 9.674 -2.803 5.021 1.00 0.00 C ATOM 89 CG LEU A 11 10.868 -3.498 4.345 1.00 0.00 C ATOM 90 CD1 LEU A 11 12.178 -3.173 5.102 1.00 0.00 C ATOM 91 CD2 LEU A 11 10.631 -5.017 4.334 1.00 0.00 C ATOM 0 H LEU A 11 8.176 -4.743 5.302 1.00 0.00 H new ATOM 0 HA LEU A 11 10.344 -3.741 6.860 1.00 0.00 H new ATOM 0 HB2 LEU A 11 8.789 -2.888 4.391 1.00 0.00 H new ATOM 0 HB3 LEU A 11 9.880 -1.739 5.139 1.00 0.00 H new ATOM 0 HG LEU A 11 10.961 -3.136 3.321 1.00 0.00 H new ATOM 0 HD11 LEU A 11 13.014 -3.672 4.612 1.00 0.00 H new ATOM 0 HD12 LEU A 11 12.344 -2.096 5.096 1.00 0.00 H new ATOM 0 HD13 LEU A 11 12.100 -3.522 6.131 1.00 0.00 H new ATOM 0 HD21 LEU A 11 11.475 -5.514 3.856 1.00 0.00 H new ATOM 0 HD22 LEU A 11 10.531 -5.377 5.358 1.00 0.00 H new ATOM 0 HD23 LEU A 11 9.718 -5.239 3.781 1.00 0.00 H new ATOM 103 N MET A 12 7.413 -2.413 7.355 1.00 0.00 N ATOM 104 CA MET A 12 6.699 -1.471 8.179 1.00 0.00 C ATOM 105 C MET A 12 7.314 -1.358 9.564 1.00 0.00 C ATOM 106 O MET A 12 7.731 -0.278 9.979 1.00 0.00 O ATOM 107 CB MET A 12 5.248 -1.922 8.294 1.00 0.00 C ATOM 108 CG MET A 12 4.452 -0.933 9.128 1.00 0.00 C ATOM 109 SD MET A 12 4.589 -1.356 10.889 1.00 0.00 S ATOM 110 CE MET A 12 5.014 0.289 11.530 1.00 0.00 C ATOM 0 H MET A 12 6.819 -3.047 6.820 1.00 0.00 H new ATOM 0 HA MET A 12 6.757 -0.487 7.713 1.00 0.00 H new ATOM 0 HB2 MET A 12 4.807 -2.008 7.301 1.00 0.00 H new ATOM 0 HB3 MET A 12 5.203 -2.911 8.750 1.00 0.00 H new ATOM 0 HG2 MET A 12 4.821 0.078 8.958 1.00 0.00 H new ATOM 0 HG3 MET A 12 3.406 -0.946 8.822 1.00 0.00 H new ATOM 0 HE1 MET A 12 4.606 0.405 12.534 1.00 0.00 H new ATOM 0 HE2 MET A 12 6.098 0.397 11.564 1.00 0.00 H new ATOM 0 HE3 MET A 12 4.593 1.054 10.877 1.00 0.00 H new ATOM 120 N VAL A 13 7.388 -2.479 10.265 1.00 0.00 N ATOM 121 CA VAL A 13 7.967 -2.479 11.598 1.00 0.00 C ATOM 122 C VAL A 13 9.483 -2.384 11.523 1.00 0.00 C ATOM 123 O VAL A 13 10.083 -1.550 12.190 1.00 0.00 O ATOM 124 CB VAL A 13 7.554 -3.744 12.355 1.00 0.00 C ATOM 125 CG1 VAL A 13 6.028 -3.848 12.356 1.00 0.00 C ATOM 126 CG2 VAL A 13 8.156 -4.981 11.674 1.00 0.00 C ATOM 0 H VAL A 13 7.059 -3.388 9.939 1.00 0.00 H new ATOM 0 HA VAL A 13 7.592 -1.608 12.136 1.00 0.00 H new ATOM 0 HB VAL A 13 7.921 -3.692 13.380 1.00 0.00 H new ATOM 0 HG11 VAL A 13 5.725 -4.747 12.893 1.00 0.00 H new ATOM 0 HG12 VAL A 13 5.604 -2.972 12.846 1.00 0.00 H new ATOM 0 HG13 VAL A 13 5.666 -3.900 11.329 1.00 0.00 H new ATOM 0 HG21 VAL A 13 7.858 -5.877 12.218 1.00 0.00 H new ATOM 0 HG22 VAL A 13 7.795 -5.043 10.647 1.00 0.00 H new ATOM 0 HG23 VAL A 13 9.243 -4.902 11.672 1.00 0.00 H new ATOM 136 N GLY A 14 10.089 -3.239 10.697 1.00 0.00 N ATOM 137 CA GLY A 14 11.546 -3.260 10.528 1.00 0.00 C ATOM 138 C GLY A 14 12.171 -1.880 10.719 1.00 0.00 C ATOM 139 O GLY A 14 13.195 -1.744 11.389 1.00 0.00 O ATOM 0 H GLY A 14 9.593 -3.929 10.132 1.00 0.00 H new ATOM 0 HA2 GLY A 14 11.983 -3.956 11.244 1.00 0.00 H new ATOM 0 HA3 GLY A 14 11.789 -3.632 9.533 1.00 0.00 H new ATOM 143 N GLY A 15 11.579 -0.859 10.108 1.00 0.00 N ATOM 144 CA GLY A 15 12.132 0.489 10.217 1.00 0.00 C ATOM 145 C GLY A 15 12.285 0.917 11.669 1.00 0.00 C ATOM 146 O GLY A 15 12.764 2.015 11.952 1.00 0.00 O ATOM 0 H GLY A 15 10.733 -0.934 9.543 1.00 0.00 H new ATOM 0 HA2 GLY A 15 13.103 0.526 9.722 1.00 0.00 H new ATOM 0 HA3 GLY A 15 11.482 1.192 9.696 1.00 0.00 H new ATOM 150 N VAL A 16 11.898 0.040 12.587 1.00 0.00 N ATOM 151 CA VAL A 16 12.017 0.336 14.003 1.00 0.00 C ATOM 152 C VAL A 16 13.426 0.048 14.482 1.00 0.00 C ATOM 153 O VAL A 16 14.057 0.890 15.118 1.00 0.00 O ATOM 154 CB VAL A 16 11.018 -0.508 14.806 1.00 0.00 C ATOM 155 CG1 VAL A 16 9.567 -0.159 14.378 1.00 0.00 C ATOM 156 CG2 VAL A 16 11.304 -2.018 14.594 1.00 0.00 C ATOM 0 H VAL A 16 11.502 -0.876 12.375 1.00 0.00 H new ATOM 0 HA VAL A 16 11.797 1.393 14.156 1.00 0.00 H new ATOM 0 HB VAL A 16 11.131 -0.283 15.867 1.00 0.00 H new ATOM 0 HG11 VAL A 16 8.863 -0.762 14.952 1.00 0.00 H new ATOM 0 HG12 VAL A 16 9.377 0.898 14.565 1.00 0.00 H new ATOM 0 HG13 VAL A 16 9.441 -0.368 13.316 1.00 0.00 H new ATOM 0 HG21 VAL A 16 10.589 -2.608 15.168 1.00 0.00 H new ATOM 0 HG22 VAL A 16 11.208 -2.261 13.536 1.00 0.00 H new ATOM 0 HG23 VAL A 16 12.316 -2.247 14.929 1.00 0.00 H new ATOM 166 N VAL A 17 13.914 -1.145 14.159 1.00 0.00 N ATOM 167 CA VAL A 17 15.253 -1.554 14.553 1.00 0.00 C ATOM 168 C VAL A 17 16.251 -0.424 14.351 1.00 0.00 C ATOM 169 O VAL A 17 17.179 -0.252 15.137 1.00 0.00 O ATOM 170 CB VAL A 17 15.713 -2.743 13.723 1.00 0.00 C ATOM 171 CG1 VAL A 17 17.131 -3.124 14.156 1.00 0.00 C ATOM 172 CG2 VAL A 17 14.772 -3.929 13.949 1.00 0.00 C ATOM 0 H VAL A 17 13.400 -1.845 13.625 1.00 0.00 H new ATOM 0 HA VAL A 17 15.211 -1.824 15.608 1.00 0.00 H new ATOM 0 HB VAL A 17 15.703 -2.481 12.665 1.00 0.00 H new ATOM 0 HG11 VAL A 17 17.474 -3.976 13.569 1.00 0.00 H new ATOM 0 HG12 VAL A 17 17.800 -2.279 13.995 1.00 0.00 H new ATOM 0 HG13 VAL A 17 17.130 -3.389 15.213 1.00 0.00 H new ATOM 0 HG21 VAL A 17 15.106 -4.778 13.352 1.00 0.00 H new ATOM 0 HG22 VAL A 17 14.778 -4.203 15.004 1.00 0.00 H new ATOM 0 HG23 VAL A 17 13.760 -3.653 13.652 1.00 0.00 H new ATOM 182 N ILE A 18 16.060 0.334 13.281 1.00 0.00 N ATOM 183 CA ILE A 18 16.973 1.430 13.000 1.00 0.00 C ATOM 184 C ILE A 18 16.860 2.491 14.087 1.00 0.00 C ATOM 185 O ILE A 18 17.859 2.959 14.632 1.00 0.00 O ATOM 186 CB ILE A 18 16.660 2.039 11.634 1.00 0.00 C ATOM 187 CG1 ILE A 18 16.642 0.932 10.567 1.00 0.00 C ATOM 188 CG2 ILE A 18 17.728 3.080 11.292 1.00 0.00 C ATOM 189 CD1 ILE A 18 17.948 0.124 10.594 1.00 0.00 C ATOM 0 H ILE A 18 15.302 0.215 12.609 1.00 0.00 H new ATOM 0 HA ILE A 18 17.993 1.046 12.985 1.00 0.00 H new ATOM 0 HB ILE A 18 15.682 2.520 11.660 1.00 0.00 H new ATOM 0 HG12 ILE A 18 15.795 0.268 10.740 1.00 0.00 H new ATOM 0 HG13 ILE A 18 16.504 1.374 9.580 1.00 0.00 H new ATOM 0 HG21 ILE A 18 17.510 3.518 10.318 1.00 0.00 H new ATOM 0 HG22 ILE A 18 17.729 3.863 12.050 1.00 0.00 H new ATOM 0 HG23 ILE A 18 18.707 2.601 11.264 1.00 0.00 H new ATOM 0 HD11 ILE A 18 17.911 -0.653 9.830 1.00 0.00 H new ATOM 0 HD12 ILE A 18 18.790 0.787 10.397 1.00 0.00 H new ATOM 0 HD13 ILE A 18 18.071 -0.336 11.574 1.00 0.00 H new ATOM 201 N ALA A 19 15.627 2.870 14.372 1.00 0.00 N ATOM 202 CA ALA A 19 15.369 3.897 15.375 1.00 0.00 C ATOM 203 C ALA A 19 15.905 3.483 16.741 1.00 0.00 C ATOM 204 O ALA A 19 16.629 4.242 17.382 1.00 0.00 O ATOM 205 CB ALA A 19 13.870 4.165 15.478 1.00 0.00 C ATOM 0 H ALA A 19 14.792 2.488 13.929 1.00 0.00 H new ATOM 0 HA ALA A 19 15.884 4.805 15.062 1.00 0.00 H new ATOM 0 HB1 ALA A 19 13.689 4.933 16.230 1.00 0.00 H new ATOM 0 HB2 ALA A 19 13.494 4.505 14.513 1.00 0.00 H new ATOM 0 HB3 ALA A 19 13.355 3.248 15.765 1.00 0.00 H new ATOM 211 N THR A 20 15.533 2.293 17.193 1.00 0.00 N ATOM 212 CA THR A 20 15.968 1.813 18.505 1.00 0.00 C ATOM 213 C THR A 20 17.469 1.639 18.548 1.00 0.00 C ATOM 214 O THR A 20 18.046 1.554 19.622 1.00 0.00 O ATOM 215 CB THR A 20 15.278 0.482 18.863 1.00 0.00 C ATOM 216 OG1 THR A 20 16.244 -0.477 19.280 1.00 0.00 O ATOM 217 CG2 THR A 20 14.549 -0.061 17.643 1.00 0.00 C ATOM 0 H THR A 20 14.937 1.645 16.679 1.00 0.00 H new ATOM 0 HA THR A 20 15.681 2.565 19.240 1.00 0.00 H new ATOM 0 HB THR A 20 14.571 0.664 19.673 1.00 0.00 H new ATOM 0 HG1 THR A 20 15.794 -1.318 19.506 1.00 0.00 H new ATOM 0 HG21 THR A 20 14.062 -1.002 17.899 1.00 0.00 H new ATOM 0 HG22 THR A 20 13.798 0.659 17.317 1.00 0.00 H new ATOM 0 HG23 THR A 20 15.264 -0.230 16.837 1.00 0.00 H new ATOM 225 N MET A 21 18.090 1.564 17.382 1.00 0.00 N ATOM 226 CA MET A 21 19.537 1.398 17.305 1.00 0.00 C ATOM 227 C MET A 21 20.247 2.749 17.405 1.00 0.00 C ATOM 228 O MET A 21 21.307 2.849 18.024 1.00 0.00 O ATOM 229 CB MET A 21 19.905 0.709 15.981 1.00 0.00 C ATOM 230 CG MET A 21 19.732 -0.807 16.118 1.00 0.00 C ATOM 231 SD MET A 21 21.122 -1.488 17.064 1.00 0.00 S ATOM 232 CE MET A 21 20.175 -2.204 18.433 1.00 0.00 C ATOM 0 H MET A 21 17.620 1.615 16.478 1.00 0.00 H new ATOM 0 HA MET A 21 19.862 0.780 18.142 1.00 0.00 H new ATOM 0 HB2 MET A 21 19.272 1.085 15.177 1.00 0.00 H new ATOM 0 HB3 MET A 21 20.935 0.944 15.713 1.00 0.00 H new ATOM 0 HG2 MET A 21 18.791 -1.033 16.619 1.00 0.00 H new ATOM 0 HG3 MET A 21 19.687 -1.270 15.132 1.00 0.00 H new ATOM 0 HE1 MET A 21 20.857 -2.679 19.138 1.00 0.00 H new ATOM 0 HE2 MET A 21 19.618 -1.417 18.941 1.00 0.00 H new ATOM 0 HE3 MET A 21 19.479 -2.947 18.044 1.00 0.00 H new ATOM 242 N ILE A 22 19.677 3.789 16.791 1.00 0.00 N ATOM 243 CA ILE A 22 20.291 5.116 16.828 1.00 0.00 C ATOM 244 C ILE A 22 20.257 5.704 18.233 1.00 0.00 C ATOM 245 O ILE A 22 21.229 6.302 18.683 1.00 0.00 O ATOM 246 CB ILE A 22 19.558 6.056 15.866 1.00 0.00 C ATOM 247 CG1 ILE A 22 19.776 5.577 14.427 1.00 0.00 C ATOM 248 CG2 ILE A 22 20.118 7.480 16.015 1.00 0.00 C ATOM 249 CD1 ILE A 22 18.776 6.270 13.500 1.00 0.00 C ATOM 0 H ILE A 22 18.802 3.739 16.269 1.00 0.00 H new ATOM 0 HA ILE A 22 21.332 5.012 16.524 1.00 0.00 H new ATOM 0 HB ILE A 22 18.493 6.056 16.098 1.00 0.00 H new ATOM 0 HG12 ILE A 22 20.795 5.798 14.110 1.00 0.00 H new ATOM 0 HG13 ILE A 22 19.652 4.496 14.370 1.00 0.00 H new ATOM 0 HG21 ILE A 22 19.597 8.149 15.331 1.00 0.00 H new ATOM 0 HG22 ILE A 22 19.972 7.823 17.039 1.00 0.00 H new ATOM 0 HG23 ILE A 22 21.183 7.479 15.781 1.00 0.00 H new ATOM 0 HD11 ILE A 22 18.932 5.929 12.477 1.00 0.00 H new ATOM 0 HD12 ILE A 22 17.761 6.027 13.813 1.00 0.00 H new ATOM 0 HD13 ILE A 22 18.922 7.349 13.549 1.00 0.00 H new ATOM 261 N VAL A 23 19.126 5.561 18.916 1.00 0.00 N ATOM 262 CA VAL A 23 18.995 6.119 20.255 1.00 0.00 C ATOM 263 C VAL A 23 20.097 5.600 21.158 1.00 0.00 C ATOM 264 O VAL A 23 20.678 6.359 21.931 1.00 0.00 O ATOM 265 CB VAL A 23 17.642 5.765 20.852 1.00 0.00 C ATOM 266 CG1 VAL A 23 16.532 6.387 20.003 1.00 0.00 C ATOM 267 CG2 VAL A 23 17.486 4.242 20.890 1.00 0.00 C ATOM 0 H VAL A 23 18.300 5.072 18.571 1.00 0.00 H new ATOM 0 HA VAL A 23 19.078 7.203 20.177 1.00 0.00 H new ATOM 0 HB VAL A 23 17.574 6.156 21.867 1.00 0.00 H new ATOM 0 HG11 VAL A 23 15.562 6.134 20.430 1.00 0.00 H new ATOM 0 HG12 VAL A 23 16.650 7.471 19.987 1.00 0.00 H new ATOM 0 HG13 VAL A 23 16.592 6.001 18.986 1.00 0.00 H new ATOM 0 HG21 VAL A 23 16.517 3.986 21.318 1.00 0.00 H new ATOM 0 HG22 VAL A 23 17.552 3.844 19.877 1.00 0.00 H new ATOM 0 HG23 VAL A 23 18.278 3.810 21.502 1.00 0.00 H new ATOM 277 N ILE A 24 20.402 4.307 21.057 1.00 0.00 N ATOM 278 CA ILE A 24 21.472 3.734 21.886 1.00 0.00 C ATOM 279 C ILE A 24 22.639 4.726 21.961 1.00 0.00 C ATOM 280 O ILE A 24 23.152 5.022 23.041 1.00 0.00 O ATOM 281 CB ILE A 24 21.958 2.416 21.273 1.00 0.00 C ATOM 282 CG1 ILE A 24 20.765 1.480 21.051 1.00 0.00 C ATOM 283 CG2 ILE A 24 22.980 1.750 22.192 1.00 0.00 C ATOM 284 CD1 ILE A 24 19.981 1.269 22.357 1.00 0.00 C ATOM 0 H ILE A 24 19.941 3.649 20.429 1.00 0.00 H new ATOM 0 HA ILE A 24 21.089 3.540 22.888 1.00 0.00 H new ATOM 0 HB ILE A 24 22.435 2.625 20.315 1.00 0.00 H new ATOM 0 HG12 ILE A 24 20.106 1.899 20.290 1.00 0.00 H new ATOM 0 HG13 ILE A 24 21.117 0.520 20.674 1.00 0.00 H new ATOM 0 HG21 ILE A 24 23.317 0.815 21.744 1.00 0.00 H new ATOM 0 HG22 ILE A 24 23.833 2.414 22.330 1.00 0.00 H new ATOM 0 HG23 ILE A 24 22.521 1.545 23.159 1.00 0.00 H new ATOM 0 HD11 ILE A 24 19.140 0.601 22.172 1.00 0.00 H new ATOM 0 HD12 ILE A 24 20.637 0.828 23.108 1.00 0.00 H new ATOM 0 HD13 ILE A 24 19.610 2.228 22.718 1.00 0.00 H new ATOM 296 N THR A 25 23.019 5.260 20.804 1.00 0.00 N ATOM 297 CA THR A 25 24.095 6.250 20.737 1.00 0.00 C ATOM 298 C THR A 25 23.699 7.522 21.502 1.00 0.00 C ATOM 299 O THR A 25 24.508 8.098 22.230 1.00 0.00 O ATOM 300 CB THR A 25 24.420 6.583 19.262 1.00 0.00 C ATOM 301 OG1 THR A 25 25.220 5.547 18.704 1.00 0.00 O ATOM 302 CG2 THR A 25 25.167 7.920 19.158 1.00 0.00 C ATOM 0 H THR A 25 22.602 5.027 19.903 1.00 0.00 H new ATOM 0 HA THR A 25 24.987 5.832 21.204 1.00 0.00 H new ATOM 0 HB THR A 25 23.483 6.664 18.711 1.00 0.00 H new ATOM 0 HG1 THR A 25 25.424 5.759 17.769 1.00 0.00 H new ATOM 0 HG21 THR A 25 25.385 8.134 18.112 1.00 0.00 H new ATOM 0 HG22 THR A 25 24.547 8.716 19.570 1.00 0.00 H new ATOM 0 HG23 THR A 25 26.100 7.860 19.719 1.00 0.00 H new ATOM 310 N LEU A 26 22.456 7.956 21.316 1.00 0.00 N ATOM 311 CA LEU A 26 21.960 9.172 21.975 1.00 0.00 C ATOM 312 C LEU A 26 22.130 9.053 23.487 1.00 0.00 C ATOM 313 O LEU A 26 22.599 9.983 24.142 1.00 0.00 O ATOM 314 CB LEU A 26 20.480 9.383 21.601 1.00 0.00 C ATOM 315 CG LEU A 26 19.845 10.576 22.352 1.00 0.00 C ATOM 316 CD1 LEU A 26 19.557 10.223 23.832 1.00 0.00 C ATOM 317 CD2 LEU A 26 20.768 11.805 22.267 1.00 0.00 C ATOM 0 H LEU A 26 21.773 7.491 20.719 1.00 0.00 H new ATOM 0 HA LEU A 26 22.534 10.035 21.639 1.00 0.00 H new ATOM 0 HB2 LEU A 26 20.400 9.550 20.527 1.00 0.00 H new ATOM 0 HB3 LEU A 26 19.919 8.476 21.825 1.00 0.00 H new ATOM 0 HG LEU A 26 18.894 10.808 21.873 1.00 0.00 H new ATOM 0 HD11 LEU A 26 19.111 11.083 24.331 1.00 0.00 H new ATOM 0 HD12 LEU A 26 18.868 9.380 23.877 1.00 0.00 H new ATOM 0 HD13 LEU A 26 20.489 9.957 24.331 1.00 0.00 H new ATOM 0 HD21 LEU A 26 20.312 12.640 22.799 1.00 0.00 H new ATOM 0 HD22 LEU A 26 21.731 11.569 22.720 1.00 0.00 H new ATOM 0 HD23 LEU A 26 20.916 12.078 21.222 1.00 0.00 H new ATOM 329 N VAL A 27 21.770 7.908 24.047 1.00 0.00 N ATOM 330 CA VAL A 27 21.921 7.716 25.482 1.00 0.00 C ATOM 331 C VAL A 27 23.404 7.767 25.853 1.00 0.00 C ATOM 332 O VAL A 27 23.798 8.396 26.829 1.00 0.00 O ATOM 333 CB VAL A 27 21.313 6.375 25.895 1.00 0.00 C ATOM 334 CG1 VAL A 27 21.557 6.142 27.391 1.00 0.00 C ATOM 335 CG2 VAL A 27 19.805 6.401 25.613 1.00 0.00 C ATOM 0 H VAL A 27 21.379 7.112 23.543 1.00 0.00 H new ATOM 0 HA VAL A 27 21.397 8.512 26.011 1.00 0.00 H new ATOM 0 HB VAL A 27 21.777 5.568 25.328 1.00 0.00 H new ATOM 0 HG11 VAL A 27 21.124 5.186 27.686 1.00 0.00 H new ATOM 0 HG12 VAL A 27 22.629 6.130 27.587 1.00 0.00 H new ATOM 0 HG13 VAL A 27 21.092 6.944 27.965 1.00 0.00 H new ATOM 0 HG21 VAL A 27 19.364 5.448 25.905 1.00 0.00 H new ATOM 0 HG22 VAL A 27 19.342 7.205 26.184 1.00 0.00 H new ATOM 0 HG23 VAL A 27 19.637 6.568 24.549 1.00 0.00 H new ATOM 345 N MET A 28 24.210 7.093 25.049 1.00 0.00 N ATOM 346 CA MET A 28 25.654 7.050 25.272 1.00 0.00 C ATOM 347 C MET A 28 26.243 8.459 25.196 1.00 0.00 C ATOM 348 O MET A 28 27.224 8.768 25.874 1.00 0.00 O ATOM 349 CB MET A 28 26.335 6.145 24.239 1.00 0.00 C ATOM 350 CG MET A 28 26.087 4.679 24.600 1.00 0.00 C ATOM 351 SD MET A 28 26.837 3.613 23.343 1.00 0.00 S ATOM 352 CE MET A 28 28.565 4.044 23.669 1.00 0.00 C ATOM 0 H MET A 28 23.893 6.567 24.235 1.00 0.00 H new ATOM 0 HA MET A 28 25.834 6.641 26.266 1.00 0.00 H new ATOM 0 HB2 MET A 28 25.946 6.356 23.243 1.00 0.00 H new ATOM 0 HB3 MET A 28 27.406 6.348 24.212 1.00 0.00 H new ATOM 0 HG2 MET A 28 26.511 4.458 25.580 1.00 0.00 H new ATOM 0 HG3 MET A 28 25.016 4.485 24.665 1.00 0.00 H new ATOM 0 HE1 MET A 28 29.208 3.212 23.383 1.00 0.00 H new ATOM 0 HE2 MET A 28 28.835 4.927 23.090 1.00 0.00 H new ATOM 0 HE3 MET A 28 28.694 4.253 24.731 1.00 0.00 H new ATOM 362 N LEU A 29 25.627 9.314 24.388 1.00 0.00 N ATOM 363 CA LEU A 29 26.085 10.696 24.251 1.00 0.00 C ATOM 364 C LEU A 29 25.778 11.498 25.514 1.00 0.00 C ATOM 365 O LEU A 29 26.522 12.412 25.871 1.00 0.00 O ATOM 366 CB LEU A 29 25.420 11.357 23.034 1.00 0.00 C ATOM 367 CG LEU A 29 26.105 10.883 21.739 1.00 0.00 C ATOM 368 CD1 LEU A 29 25.286 11.365 20.535 1.00 0.00 C ATOM 369 CD2 LEU A 29 27.546 11.439 21.645 1.00 0.00 C ATOM 0 H LEU A 29 24.813 9.079 23.820 1.00 0.00 H new ATOM 0 HA LEU A 29 27.165 10.684 24.104 1.00 0.00 H new ATOM 0 HB2 LEU A 29 24.360 11.106 23.007 1.00 0.00 H new ATOM 0 HB3 LEU A 29 25.489 12.442 23.116 1.00 0.00 H new ATOM 0 HG LEU A 29 26.158 9.794 21.744 1.00 0.00 H new ATOM 0 HD11 LEU A 29 25.764 11.033 19.613 1.00 0.00 H new ATOM 0 HD12 LEU A 29 24.279 10.951 20.591 1.00 0.00 H new ATOM 0 HD13 LEU A 29 25.232 12.454 20.544 1.00 0.00 H new ATOM 0 HD21 LEU A 29 28.011 11.091 20.722 1.00 0.00 H new ATOM 0 HD22 LEU A 29 27.517 12.529 21.648 1.00 0.00 H new ATOM 0 HD23 LEU A 29 28.127 11.089 22.498 1.00 0.00 H new ATOM 381 N LYS A 30 24.668 11.170 26.177 1.00 0.00 N ATOM 382 CA LYS A 30 24.282 11.894 27.388 1.00 0.00 C ATOM 383 C LYS A 30 25.490 12.108 28.301 1.00 0.00 C ATOM 384 O LYS A 30 25.448 12.933 29.214 1.00 0.00 O ATOM 385 CB LYS A 30 23.197 11.144 28.169 1.00 0.00 C ATOM 386 CG LYS A 30 21.876 11.173 27.397 1.00 0.00 C ATOM 387 CD LYS A 30 20.811 10.411 28.191 1.00 0.00 C ATOM 388 CE LYS A 30 19.483 10.445 27.432 1.00 0.00 C ATOM 389 NZ LYS A 30 19.132 11.859 27.116 1.00 0.00 N ATOM 0 H LYS A 30 24.031 10.422 25.902 1.00 0.00 H new ATOM 0 HA LYS A 30 23.887 12.859 27.070 1.00 0.00 H new ATOM 0 HB2 LYS A 30 23.506 10.112 28.336 1.00 0.00 H new ATOM 0 HB3 LYS A 30 23.064 11.600 29.150 1.00 0.00 H new ATOM 0 HG2 LYS A 30 21.558 12.203 27.235 1.00 0.00 H new ATOM 0 HG3 LYS A 30 22.006 10.721 26.414 1.00 0.00 H new ATOM 0 HD2 LYS A 30 21.127 9.379 28.345 1.00 0.00 H new ATOM 0 HD3 LYS A 30 20.689 10.858 29.178 1.00 0.00 H new ATOM 0 HE2 LYS A 30 19.561 9.864 26.513 1.00 0.00 H new ATOM 0 HE3 LYS A 30 18.696 9.988 28.032 1.00 0.00 H new ATOM 0 HZ1 LYS A 30 18.111 11.931 26.934 1.00 0.00 H new ATOM 0 HZ2 LYS A 30 19.384 12.467 27.921 1.00 0.00 H new ATOM 0 HZ3 LYS A 30 19.656 12.167 26.272 1.00 0.00 H new ATOM 403 N LYS A 31 26.571 11.363 28.047 1.00 0.00 N ATOM 404 CA LYS A 31 27.794 11.485 28.848 1.00 0.00 C ATOM 405 C LYS A 31 28.857 12.265 28.078 1.00 0.00 C ATOM 406 O LYS A 31 30.054 12.071 28.287 1.00 0.00 O ATOM 407 CB LYS A 31 28.336 10.098 29.193 1.00 0.00 C ATOM 408 CG LYS A 31 27.366 9.393 30.142 1.00 0.00 C ATOM 409 CD LYS A 31 27.924 8.020 30.518 1.00 0.00 C ATOM 410 CE LYS A 31 26.991 7.351 31.530 1.00 0.00 C ATOM 411 NZ LYS A 31 25.666 7.103 30.894 1.00 0.00 N ATOM 0 H LYS A 31 26.624 10.673 27.298 1.00 0.00 H new ATOM 0 HA LYS A 31 27.552 12.019 29.767 1.00 0.00 H new ATOM 0 HB2 LYS A 31 28.465 9.510 28.284 1.00 0.00 H new ATOM 0 HB3 LYS A 31 29.318 10.185 29.658 1.00 0.00 H new ATOM 0 HG2 LYS A 31 27.217 9.994 31.039 1.00 0.00 H new ATOM 0 HG3 LYS A 31 26.391 9.283 29.666 1.00 0.00 H new ATOM 0 HD2 LYS A 31 28.019 7.398 29.628 1.00 0.00 H new ATOM 0 HD3 LYS A 31 28.923 8.125 30.942 1.00 0.00 H new ATOM 0 HE2 LYS A 31 27.423 6.411 31.874 1.00 0.00 H new ATOM 0 HE3 LYS A 31 26.872 7.987 32.407 1.00 0.00 H new ATOM 0 HZ1 LYS A 31 25.135 6.408 31.457 1.00 0.00 H new ATOM 0 HZ2 LYS A 31 25.130 7.993 30.849 1.00 0.00 H new ATOM 0 HZ3 LYS A 31 25.806 6.734 29.932 1.00 0.00 H new ATOM 425 N LYS A 32 28.410 13.149 27.188 1.00 0.00 N ATOM 426 CA LYS A 32 29.322 13.967 26.386 1.00 0.00 C ATOM 427 C LYS A 32 28.915 15.435 26.456 1.00 0.00 C ATOM 428 O LYS A 32 27.724 15.700 26.493 1.00 0.00 O ATOM 429 CB LYS A 32 29.287 13.503 24.930 1.00 0.00 C ATOM 430 CG LYS A 32 29.637 12.012 24.839 1.00 0.00 C ATOM 431 CD LYS A 32 31.114 11.785 25.189 1.00 0.00 C ATOM 432 CE LYS A 32 31.552 10.404 24.690 1.00 0.00 C ATOM 433 NZ LYS A 32 31.772 10.453 23.216 1.00 0.00 N ATOM 0 H LYS A 32 27.421 13.318 27.003 1.00 0.00 H new ATOM 0 HA LYS A 32 30.331 13.856 26.783 1.00 0.00 H new ATOM 0 HB2 LYS A 32 28.297 13.678 24.509 1.00 0.00 H new ATOM 0 HB3 LYS A 32 29.992 14.086 24.338 1.00 0.00 H new ATOM 0 HG2 LYS A 32 29.004 11.442 25.519 1.00 0.00 H new ATOM 0 HG3 LYS A 32 29.435 11.646 23.832 1.00 0.00 H new ATOM 0 HD2 LYS A 32 31.730 12.560 24.733 1.00 0.00 H new ATOM 0 HD3 LYS A 32 31.258 11.856 26.267 1.00 0.00 H new ATOM 0 HE2 LYS A 32 32.468 10.097 25.195 1.00 0.00 H new ATOM 0 HE3 LYS A 32 30.791 9.661 24.930 1.00 0.00 H new ATOM 0 HZ1 LYS A 32 32.347 9.637 22.924 1.00 0.00 H new ATOM 0 HZ2 LYS A 32 30.855 10.423 22.727 1.00 0.00 H new ATOM 0 HZ3 LYS A 32 32.268 11.333 22.968 1.00 0.00 H new TER 447 LYS A 32 ATOM 448 N LYS B 5 -3.123 6.756 0.178 1.00 0.00 N ATOM 449 CA LYS B 5 -2.450 5.925 1.215 1.00 0.00 C ATOM 450 C LYS B 5 -1.456 6.783 1.988 1.00 0.00 C ATOM 451 O LYS B 5 -0.339 6.353 2.277 1.00 0.00 O ATOM 452 CB LYS B 5 -1.725 4.760 0.539 1.00 0.00 C ATOM 453 CG LYS B 5 -2.756 3.778 -0.021 1.00 0.00 C ATOM 454 CD LYS B 5 -2.033 2.603 -0.685 1.00 0.00 C ATOM 455 CE LYS B 5 -3.062 1.579 -1.170 1.00 0.00 C ATOM 456 NZ LYS B 5 -3.940 2.203 -2.201 1.00 0.00 N ATOM 0 HA LYS B 5 -3.192 5.530 1.909 1.00 0.00 H new ATOM 0 HB2 LYS B 5 -1.086 5.131 -0.263 1.00 0.00 H new ATOM 0 HB3 LYS B 5 -1.077 4.255 1.256 1.00 0.00 H new ATOM 0 HG2 LYS B 5 -3.402 3.416 0.779 1.00 0.00 H new ATOM 0 HG3 LYS B 5 -3.397 4.281 -0.745 1.00 0.00 H new ATOM 0 HD2 LYS B 5 -1.434 2.958 -1.524 1.00 0.00 H new ATOM 0 HD3 LYS B 5 -1.347 2.138 0.023 1.00 0.00 H new ATOM 0 HE2 LYS B 5 -2.555 0.709 -1.587 1.00 0.00 H new ATOM 0 HE3 LYS B 5 -3.662 1.226 -0.331 1.00 0.00 H new ATOM 0 HZ1 LYS B 5 -4.423 1.458 -2.743 1.00 0.00 H new ATOM 0 HZ2 LYS B 5 -4.647 2.807 -1.735 1.00 0.00 H new ATOM 0 HZ3 LYS B 5 -3.363 2.780 -2.845 1.00 0.00 H new ATOM 469 N GLY B 6 -1.873 8.000 2.321 1.00 0.00 N ATOM 470 CA GLY B 6 -1.017 8.916 3.064 1.00 0.00 C ATOM 471 C GLY B 6 -0.935 8.523 4.533 1.00 0.00 C ATOM 472 O GLY B 6 -0.005 8.913 5.237 1.00 0.00 O ATOM 0 H GLY B 6 -2.794 8.373 2.089 1.00 0.00 H new ATOM 0 HA2 GLY B 6 -0.018 8.918 2.629 1.00 0.00 H new ATOM 0 HA3 GLY B 6 -1.404 9.931 2.977 1.00 0.00 H new ATOM 476 N ALA B 7 -1.914 7.755 4.991 1.00 0.00 N ATOM 477 CA ALA B 7 -1.937 7.318 6.382 1.00 0.00 C ATOM 478 C ALA B 7 -1.035 6.105 6.569 1.00 0.00 C ATOM 479 O ALA B 7 -0.551 5.844 7.671 1.00 0.00 O ATOM 480 CB ALA B 7 -3.366 6.956 6.792 1.00 0.00 C ATOM 0 H ALA B 7 -2.696 7.424 4.427 1.00 0.00 H new ATOM 0 HA ALA B 7 -1.575 8.133 7.008 1.00 0.00 H new ATOM 0 HB1 ALA B 7 -3.375 6.631 7.832 1.00 0.00 H new ATOM 0 HB2 ALA B 7 -4.009 7.829 6.679 1.00 0.00 H new ATOM 0 HB3 ALA B 7 -3.734 6.150 6.157 1.00 0.00 H new ATOM 486 N ILE B 8 -0.820 5.359 5.488 1.00 0.00 N ATOM 487 CA ILE B 8 0.019 4.170 5.556 1.00 0.00 C ATOM 488 C ILE B 8 1.454 4.545 5.927 1.00 0.00 C ATOM 489 O ILE B 8 2.032 3.966 6.843 1.00 0.00 O ATOM 490 CB ILE B 8 0.013 3.446 4.206 1.00 0.00 C ATOM 491 CG1 ILE B 8 -1.435 3.183 3.758 1.00 0.00 C ATOM 492 CG2 ILE B 8 0.763 2.118 4.334 1.00 0.00 C ATOM 493 CD1 ILE B 8 -2.219 2.447 4.852 1.00 0.00 C ATOM 0 H ILE B 8 -1.211 5.555 4.566 1.00 0.00 H new ATOM 0 HA ILE B 8 -0.383 3.510 6.324 1.00 0.00 H new ATOM 0 HB ILE B 8 0.507 4.071 3.462 1.00 0.00 H new ATOM 0 HG12 ILE B 8 -1.926 4.128 3.526 1.00 0.00 H new ATOM 0 HG13 ILE B 8 -1.435 2.591 2.843 1.00 0.00 H new ATOM 0 HG21 ILE B 8 0.758 1.603 3.373 1.00 0.00 H new ATOM 0 HG22 ILE B 8 1.792 2.309 4.638 1.00 0.00 H new ATOM 0 HG23 ILE B 8 0.273 1.494 5.082 1.00 0.00 H new ATOM 0 HD11 ILE B 8 -3.240 2.272 4.513 1.00 0.00 H new ATOM 0 HD12 ILE B 8 -1.738 1.492 5.064 1.00 0.00 H new ATOM 0 HD13 ILE B 8 -2.237 3.053 5.758 1.00 0.00 H new ATOM 505 N ILE B 9 2.013 5.527 5.218 1.00 0.00 N ATOM 506 CA ILE B 9 3.380 5.977 5.489 1.00 0.00 C ATOM 507 C ILE B 9 3.443 6.684 6.842 1.00 0.00 C ATOM 508 O ILE B 9 4.389 6.519 7.608 1.00 0.00 O ATOM 509 CB ILE B 9 3.856 6.918 4.371 1.00 0.00 C ATOM 510 CG1 ILE B 9 5.370 7.161 4.496 1.00 0.00 C ATOM 511 CG2 ILE B 9 3.126 8.250 4.476 1.00 0.00 C ATOM 512 CD1 ILE B 9 6.153 5.868 4.222 1.00 0.00 C ATOM 0 H ILE B 9 1.546 6.022 4.459 1.00 0.00 H new ATOM 0 HA ILE B 9 4.039 5.109 5.519 1.00 0.00 H new ATOM 0 HB ILE B 9 3.642 6.456 3.407 1.00 0.00 H new ATOM 0 HG12 ILE B 9 5.678 7.934 3.793 1.00 0.00 H new ATOM 0 HG13 ILE B 9 5.603 7.528 5.496 1.00 0.00 H new ATOM 0 HG21 ILE B 9 3.466 8.915 3.682 1.00 0.00 H new ATOM 0 HG22 ILE B 9 2.053 8.086 4.377 1.00 0.00 H new ATOM 0 HG23 ILE B 9 3.336 8.705 5.444 1.00 0.00 H new ATOM 0 HD11 ILE B 9 7.221 6.063 4.316 1.00 0.00 H new ATOM 0 HD12 ILE B 9 5.859 5.105 4.942 1.00 0.00 H new ATOM 0 HD13 ILE B 9 5.935 5.518 3.213 1.00 0.00 H new ATOM 524 N GLY B 10 2.426 7.481 7.129 1.00 0.00 N ATOM 525 CA GLY B 10 2.387 8.202 8.393 1.00 0.00 C ATOM 526 C GLY B 10 2.693 7.252 9.551 1.00 0.00 C ATOM 527 O GLY B 10 3.661 7.445 10.286 1.00 0.00 O ATOM 0 H GLY B 10 1.628 7.644 6.515 1.00 0.00 H new ATOM 0 HA2 GLY B 10 3.112 9.016 8.379 1.00 0.00 H new ATOM 0 HA3 GLY B 10 1.405 8.653 8.533 1.00 0.00 H new ATOM 531 N LEU B 11 1.857 6.230 9.704 1.00 0.00 N ATOM 532 CA LEU B 11 2.031 5.245 10.770 1.00 0.00 C ATOM 533 C LEU B 11 3.242 4.348 10.527 1.00 0.00 C ATOM 534 O LEU B 11 3.841 3.844 11.478 1.00 0.00 O ATOM 535 CB LEU B 11 0.758 4.387 10.894 1.00 0.00 C ATOM 536 CG LEU B 11 -0.284 5.116 11.761 1.00 0.00 C ATOM 537 CD1 LEU B 11 0.191 5.180 13.231 1.00 0.00 C ATOM 538 CD2 LEU B 11 -0.492 6.538 11.213 1.00 0.00 C ATOM 0 H LEU B 11 1.050 6.061 9.103 1.00 0.00 H new ATOM 0 HA LEU B 11 2.206 5.787 11.699 1.00 0.00 H new ATOM 0 HB2 LEU B 11 0.345 4.188 9.905 1.00 0.00 H new ATOM 0 HB3 LEU B 11 1.002 3.422 11.338 1.00 0.00 H new ATOM 0 HG LEU B 11 -1.226 4.570 11.726 1.00 0.00 H new ATOM 0 HD11 LEU B 11 -0.556 5.698 13.832 1.00 0.00 H new ATOM 0 HD12 LEU B 11 0.327 4.169 13.614 1.00 0.00 H new ATOM 0 HD13 LEU B 11 1.137 5.718 13.284 1.00 0.00 H new ATOM 0 HD21 LEU B 11 -1.229 7.059 11.824 1.00 0.00 H new ATOM 0 HD22 LEU B 11 0.453 7.081 11.243 1.00 0.00 H new ATOM 0 HD23 LEU B 11 -0.847 6.483 10.184 1.00 0.00 H new ATOM 550 N MET B 12 3.589 4.127 9.265 1.00 0.00 N ATOM 551 CA MET B 12 4.704 3.274 8.942 1.00 0.00 C ATOM 552 C MET B 12 5.904 3.560 9.828 1.00 0.00 C ATOM 553 O MET B 12 6.386 2.676 10.537 1.00 0.00 O ATOM 554 CB MET B 12 5.080 3.490 7.480 1.00 0.00 C ATOM 555 CG MET B 12 6.233 2.581 7.092 1.00 0.00 C ATOM 556 SD MET B 12 7.814 3.383 7.488 1.00 0.00 S ATOM 557 CE MET B 12 8.606 2.002 8.362 1.00 0.00 C ATOM 0 H MET B 12 3.111 4.529 8.458 1.00 0.00 H new ATOM 0 HA MET B 12 4.409 2.238 9.112 1.00 0.00 H new ATOM 0 HB2 MET B 12 4.219 3.289 6.843 1.00 0.00 H new ATOM 0 HB3 MET B 12 5.359 4.531 7.319 1.00 0.00 H new ATOM 0 HG2 MET B 12 6.154 1.632 7.623 1.00 0.00 H new ATOM 0 HG3 MET B 12 6.187 2.355 6.027 1.00 0.00 H new ATOM 0 HE1 MET B 12 9.688 2.076 8.255 1.00 0.00 H new ATOM 0 HE2 MET B 12 8.343 2.041 9.419 1.00 0.00 H new ATOM 0 HE3 MET B 12 8.263 1.058 7.938 1.00 0.00 H new ATOM 567 N VAL B 13 6.370 4.798 9.804 1.00 0.00 N ATOM 568 CA VAL B 13 7.510 5.176 10.623 1.00 0.00 C ATOM 569 C VAL B 13 7.098 5.319 12.080 1.00 0.00 C ATOM 570 O VAL B 13 7.737 4.753 12.959 1.00 0.00 O ATOM 571 CB VAL B 13 8.116 6.486 10.114 1.00 0.00 C ATOM 572 CG1 VAL B 13 8.463 6.332 8.632 1.00 0.00 C ATOM 573 CG2 VAL B 13 7.112 7.633 10.295 1.00 0.00 C ATOM 0 H VAL B 13 5.982 5.550 9.234 1.00 0.00 H new ATOM 0 HA VAL B 13 8.261 4.390 10.552 1.00 0.00 H new ATOM 0 HB VAL B 13 9.018 6.715 10.682 1.00 0.00 H new ATOM 0 HG11 VAL B 13 8.895 7.261 8.261 1.00 0.00 H new ATOM 0 HG12 VAL B 13 9.182 5.522 8.509 1.00 0.00 H new ATOM 0 HG13 VAL B 13 7.559 6.102 8.069 1.00 0.00 H new ATOM 0 HG21 VAL B 13 7.551 8.562 9.930 1.00 0.00 H new ATOM 0 HG22 VAL B 13 6.205 7.415 9.732 1.00 0.00 H new ATOM 0 HG23 VAL B 13 6.866 7.738 11.352 1.00 0.00 H new ATOM 583 N GLY B 14 6.023 6.071 12.318 1.00 0.00 N ATOM 584 CA GLY B 14 5.515 6.297 13.676 1.00 0.00 C ATOM 585 C GLY B 14 5.785 5.113 14.603 1.00 0.00 C ATOM 586 O GLY B 14 6.208 5.296 15.743 1.00 0.00 O ATOM 0 H GLY B 14 5.484 6.536 11.587 1.00 0.00 H new ATOM 0 HA2 GLY B 14 5.979 7.192 14.090 1.00 0.00 H new ATOM 0 HA3 GLY B 14 4.442 6.484 13.633 1.00 0.00 H new ATOM 590 N GLY B 15 5.514 3.902 14.127 1.00 0.00 N ATOM 591 CA GLY B 15 5.716 2.720 14.963 1.00 0.00 C ATOM 592 C GLY B 15 7.143 2.643 15.488 1.00 0.00 C ATOM 593 O GLY B 15 7.486 1.727 16.236 1.00 0.00 O ATOM 0 H GLY B 15 5.162 3.713 13.189 1.00 0.00 H new ATOM 0 HA2 GLY B 15 5.020 2.743 15.801 1.00 0.00 H new ATOM 0 HA3 GLY B 15 5.491 1.823 14.386 1.00 0.00 H new ATOM 597 N VAL B 16 7.966 3.615 15.111 1.00 0.00 N ATOM 598 CA VAL B 16 9.342 3.651 15.568 1.00 0.00 C ATOM 599 C VAL B 16 9.419 4.264 16.953 1.00 0.00 C ATOM 600 O VAL B 16 10.021 3.693 17.859 1.00 0.00 O ATOM 601 CB VAL B 16 10.200 4.468 14.595 1.00 0.00 C ATOM 602 CG1 VAL B 16 10.194 3.801 13.192 1.00 0.00 C ATOM 603 CG2 VAL B 16 9.671 5.924 14.511 1.00 0.00 C ATOM 0 H VAL B 16 7.702 4.383 14.493 1.00 0.00 H new ATOM 0 HA VAL B 16 9.721 2.630 15.609 1.00 0.00 H new ATOM 0 HB VAL B 16 11.226 4.495 14.961 1.00 0.00 H new ATOM 0 HG11 VAL B 16 10.806 4.388 12.507 1.00 0.00 H new ATOM 0 HG12 VAL B 16 10.600 2.792 13.267 1.00 0.00 H new ATOM 0 HG13 VAL B 16 9.172 3.754 12.816 1.00 0.00 H new ATOM 0 HG21 VAL B 16 10.287 6.496 13.817 1.00 0.00 H new ATOM 0 HG22 VAL B 16 8.640 5.917 14.158 1.00 0.00 H new ATOM 0 HG23 VAL B 16 9.714 6.384 15.498 1.00 0.00 H new ATOM 613 N VAL B 17 8.792 5.426 17.106 1.00 0.00 N ATOM 614 CA VAL B 17 8.786 6.126 18.381 1.00 0.00 C ATOM 615 C VAL B 17 8.549 5.162 19.532 1.00 0.00 C ATOM 616 O VAL B 17 9.110 5.318 20.613 1.00 0.00 O ATOM 617 CB VAL B 17 7.681 7.173 18.409 1.00 0.00 C ATOM 618 CG1 VAL B 17 7.702 7.870 19.770 1.00 0.00 C ATOM 619 CG2 VAL B 17 7.915 8.203 17.302 1.00 0.00 C ATOM 0 H VAL B 17 8.282 5.901 16.361 1.00 0.00 H new ATOM 0 HA VAL B 17 9.761 6.601 18.493 1.00 0.00 H new ATOM 0 HB VAL B 17 6.715 6.695 18.249 1.00 0.00 H new ATOM 0 HG11 VAL B 17 6.915 8.624 19.805 1.00 0.00 H new ATOM 0 HG12 VAL B 17 7.536 7.135 20.558 1.00 0.00 H new ATOM 0 HG13 VAL B 17 8.670 8.349 19.919 1.00 0.00 H new ATOM 0 HG21 VAL B 17 7.122 8.950 17.326 1.00 0.00 H new ATOM 0 HG22 VAL B 17 8.877 8.691 17.456 1.00 0.00 H new ATOM 0 HG23 VAL B 17 7.913 7.703 16.333 1.00 0.00 H new ATOM 629 N ILE B 18 7.699 4.173 19.296 1.00 0.00 N ATOM 630 CA ILE B 18 7.402 3.211 20.344 1.00 0.00 C ATOM 631 C ILE B 18 8.647 2.399 20.672 1.00 0.00 C ATOM 632 O ILE B 18 9.014 2.228 21.835 1.00 0.00 O ATOM 633 CB ILE B 18 6.270 2.282 19.902 1.00 0.00 C ATOM 634 CG1 ILE B 18 5.065 3.121 19.444 1.00 0.00 C ATOM 635 CG2 ILE B 18 5.871 1.383 21.074 1.00 0.00 C ATOM 636 CD1 ILE B 18 4.648 4.120 20.534 1.00 0.00 C ATOM 0 H ILE B 18 7.215 4.018 18.412 1.00 0.00 H new ATOM 0 HA ILE B 18 7.085 3.749 21.237 1.00 0.00 H new ATOM 0 HB ILE B 18 6.604 1.661 19.071 1.00 0.00 H new ATOM 0 HG12 ILE B 18 5.317 3.658 18.530 1.00 0.00 H new ATOM 0 HG13 ILE B 18 4.228 2.464 19.207 1.00 0.00 H new ATOM 0 HG21 ILE B 18 5.064 0.719 20.765 1.00 0.00 H new ATOM 0 HG22 ILE B 18 6.730 0.790 21.386 1.00 0.00 H new ATOM 0 HG23 ILE B 18 5.534 2.000 21.907 1.00 0.00 H new ATOM 0 HD11 ILE B 18 3.794 4.702 20.187 1.00 0.00 H new ATOM 0 HD12 ILE B 18 4.374 3.578 21.439 1.00 0.00 H new ATOM 0 HD13 ILE B 18 5.480 4.790 20.751 1.00 0.00 H new ATOM 648 N ALA B 19 9.275 1.891 19.627 1.00 0.00 N ATOM 649 CA ALA B 19 10.470 1.072 19.793 1.00 0.00 C ATOM 650 C ALA B 19 11.581 1.850 20.490 1.00 0.00 C ATOM 651 O ALA B 19 12.153 1.377 21.471 1.00 0.00 O ATOM 652 CB ALA B 19 10.966 0.584 18.436 1.00 0.00 C ATOM 0 H ALA B 19 8.983 2.028 18.659 1.00 0.00 H new ATOM 0 HA ALA B 19 10.204 0.217 20.415 1.00 0.00 H new ATOM 0 HB1 ALA B 19 11.859 -0.026 18.573 1.00 0.00 H new ATOM 0 HB2 ALA B 19 10.189 -0.012 17.957 1.00 0.00 H new ATOM 0 HB3 ALA B 19 11.206 1.441 17.806 1.00 0.00 H new ATOM 658 N THR B 20 11.901 3.028 19.972 1.00 0.00 N ATOM 659 CA THR B 20 12.972 3.841 20.548 1.00 0.00 C ATOM 660 C THR B 20 12.631 4.269 21.957 1.00 0.00 C ATOM 661 O THR B 20 13.511 4.672 22.706 1.00 0.00 O ATOM 662 CB THR B 20 13.250 5.085 19.680 1.00 0.00 C ATOM 663 OG1 THR B 20 13.259 6.257 20.488 1.00 0.00 O ATOM 664 CG2 THR B 20 12.161 5.227 18.626 1.00 0.00 C ATOM 0 H THR B 20 11.441 3.442 19.161 1.00 0.00 H new ATOM 0 HA THR B 20 13.870 3.224 20.576 1.00 0.00 H new ATOM 0 HB THR B 20 14.222 4.965 19.201 1.00 0.00 H new ATOM 0 HG1 THR B 20 13.438 7.040 19.927 1.00 0.00 H new ATOM 0 HG21 THR B 20 12.360 6.107 18.014 1.00 0.00 H new ATOM 0 HG22 THR B 20 12.149 4.340 17.993 1.00 0.00 H new ATOM 0 HG23 THR B 20 11.193 5.336 19.115 1.00 0.00 H new ATOM 672 N MET B 21 11.357 4.196 22.306 1.00 0.00 N ATOM 673 CA MET B 21 10.915 4.580 23.642 1.00 0.00 C ATOM 674 C MET B 21 11.072 3.419 24.624 1.00 0.00 C ATOM 675 O MET B 21 11.432 3.631 25.782 1.00 0.00 O ATOM 676 CB MET B 21 9.445 5.025 23.588 1.00 0.00 C ATOM 677 CG MET B 21 9.361 6.486 23.133 1.00 0.00 C ATOM 678 SD MET B 21 9.828 7.571 24.511 1.00 0.00 S ATOM 679 CE MET B 21 11.236 8.395 23.723 1.00 0.00 C ATOM 0 H MET B 21 10.611 3.876 21.688 1.00 0.00 H new ATOM 0 HA MET B 21 11.535 5.406 23.990 1.00 0.00 H new ATOM 0 HB2 MET B 21 8.888 4.388 22.901 1.00 0.00 H new ATOM 0 HB3 MET B 21 8.985 4.913 24.570 1.00 0.00 H new ATOM 0 HG2 MET B 21 10.023 6.653 22.283 1.00 0.00 H new ATOM 0 HG3 MET B 21 8.349 6.717 22.799 1.00 0.00 H new ATOM 0 HE1 MET B 21 11.672 9.114 24.417 1.00 0.00 H new ATOM 0 HE2 MET B 21 11.986 7.653 23.451 1.00 0.00 H new ATOM 0 HE3 MET B 21 10.898 8.915 22.826 1.00 0.00 H new ATOM 689 N ILE B 22 10.796 2.193 24.174 1.00 0.00 N ATOM 690 CA ILE B 22 10.913 1.026 25.049 1.00 0.00 C ATOM 691 C ILE B 22 12.365 0.753 25.418 1.00 0.00 C ATOM 692 O ILE B 22 12.668 0.436 26.564 1.00 0.00 O ATOM 693 CB ILE B 22 10.324 -0.206 24.357 1.00 0.00 C ATOM 694 CG1 ILE B 22 8.814 -0.013 24.178 1.00 0.00 C ATOM 695 CG2 ILE B 22 10.577 -1.451 25.223 1.00 0.00 C ATOM 696 CD1 ILE B 22 8.279 -1.043 23.182 1.00 0.00 C ATOM 0 H ILE B 22 10.494 1.984 23.222 1.00 0.00 H new ATOM 0 HA ILE B 22 10.359 1.237 25.964 1.00 0.00 H new ATOM 0 HB ILE B 22 10.796 -0.337 23.383 1.00 0.00 H new ATOM 0 HG12 ILE B 22 8.307 -0.122 25.137 1.00 0.00 H new ATOM 0 HG13 ILE B 22 8.606 0.995 23.821 1.00 0.00 H new ATOM 0 HG21 ILE B 22 10.158 -2.328 24.730 1.00 0.00 H new ATOM 0 HG22 ILE B 22 11.650 -1.589 25.358 1.00 0.00 H new ATOM 0 HG23 ILE B 22 10.103 -1.320 26.196 1.00 0.00 H new ATOM 0 HD11 ILE B 22 7.205 -0.904 23.056 1.00 0.00 H new ATOM 0 HD12 ILE B 22 8.777 -0.913 22.221 1.00 0.00 H new ATOM 0 HD13 ILE B 22 8.473 -2.048 23.558 1.00 0.00 H new ATOM 708 N VAL B 23 13.260 0.844 24.442 1.00 0.00 N ATOM 709 CA VAL B 23 14.667 0.568 24.701 1.00 0.00 C ATOM 710 C VAL B 23 15.182 1.445 25.826 1.00 0.00 C ATOM 711 O VAL B 23 15.915 0.977 26.695 1.00 0.00 O ATOM 712 CB VAL B 23 15.497 0.809 23.449 1.00 0.00 C ATOM 713 CG1 VAL B 23 15.047 -0.154 22.347 1.00 0.00 C ATOM 714 CG2 VAL B 23 15.317 2.259 22.989 1.00 0.00 C ATOM 0 H VAL B 23 13.042 1.102 23.480 1.00 0.00 H new ATOM 0 HA VAL B 23 14.758 -0.478 24.993 1.00 0.00 H new ATOM 0 HB VAL B 23 16.551 0.634 23.666 1.00 0.00 H new ATOM 0 HG11 VAL B 23 15.641 0.017 21.449 1.00 0.00 H new ATOM 0 HG12 VAL B 23 15.186 -1.182 22.683 1.00 0.00 H new ATOM 0 HG13 VAL B 23 13.994 0.016 22.123 1.00 0.00 H new ATOM 0 HG21 VAL B 23 15.911 2.433 22.092 1.00 0.00 H new ATOM 0 HG22 VAL B 23 14.265 2.443 22.769 1.00 0.00 H new ATOM 0 HG23 VAL B 23 15.646 2.935 23.779 1.00 0.00 H new ATOM 724 N ILE B 24 14.795 2.720 25.823 1.00 0.00 N ATOM 725 CA ILE B 24 15.237 3.629 26.890 1.00 0.00 C ATOM 726 C ILE B 24 15.205 2.886 28.232 1.00 0.00 C ATOM 727 O ILE B 24 16.167 2.916 28.999 1.00 0.00 O ATOM 728 CB ILE B 24 14.311 4.849 26.957 1.00 0.00 C ATOM 729 CG1 ILE B 24 14.216 5.499 25.573 1.00 0.00 C ATOM 730 CG2 ILE B 24 14.840 5.861 27.973 1.00 0.00 C ATOM 731 CD1 ILE B 24 15.613 5.847 25.032 1.00 0.00 C ATOM 0 H ILE B 24 14.193 3.142 25.116 1.00 0.00 H new ATOM 0 HA ILE B 24 16.252 3.966 26.679 1.00 0.00 H new ATOM 0 HB ILE B 24 13.319 4.525 27.272 1.00 0.00 H new ATOM 0 HG12 ILE B 24 13.713 4.822 24.883 1.00 0.00 H new ATOM 0 HG13 ILE B 24 13.609 6.403 25.632 1.00 0.00 H new ATOM 0 HG21 ILE B 24 14.173 6.722 28.010 1.00 0.00 H new ATOM 0 HG22 ILE B 24 14.888 5.397 28.958 1.00 0.00 H new ATOM 0 HG23 ILE B 24 15.837 6.187 27.677 1.00 0.00 H new ATOM 0 HD11 ILE B 24 15.518 6.307 24.048 1.00 0.00 H new ATOM 0 HD12 ILE B 24 16.104 6.543 25.712 1.00 0.00 H new ATOM 0 HD13 ILE B 24 16.209 4.938 24.951 1.00 0.00 H new ATOM 743 N THR B 25 14.100 2.187 28.478 1.00 0.00 N ATOM 744 CA THR B 25 13.951 1.398 29.701 1.00 0.00 C ATOM 745 C THR B 25 14.993 0.267 29.739 1.00 0.00 C ATOM 746 O THR B 25 15.595 0.001 30.780 1.00 0.00 O ATOM 747 CB THR B 25 12.520 0.820 29.793 1.00 0.00 C ATOM 748 OG1 THR B 25 11.622 1.836 30.230 1.00 0.00 O ATOM 749 CG2 THR B 25 12.472 -0.361 30.771 1.00 0.00 C ATOM 0 H THR B 25 13.297 2.150 27.850 1.00 0.00 H new ATOM 0 HA THR B 25 14.118 2.049 30.559 1.00 0.00 H new ATOM 0 HB THR B 25 12.225 0.466 28.805 1.00 0.00 H new ATOM 0 HG1 THR B 25 10.715 1.469 30.286 1.00 0.00 H new ATOM 0 HG21 THR B 25 11.456 -0.752 30.820 1.00 0.00 H new ATOM 0 HG22 THR B 25 13.146 -1.145 30.428 1.00 0.00 H new ATOM 0 HG23 THR B 25 12.780 -0.026 31.761 1.00 0.00 H new ATOM 757 N LEU B 26 15.181 -0.398 28.603 1.00 0.00 N ATOM 758 CA LEU B 26 16.135 -1.514 28.515 1.00 0.00 C ATOM 759 C LEU B 26 17.521 -1.051 28.954 1.00 0.00 C ATOM 760 O LEU B 26 18.192 -1.730 29.728 1.00 0.00 O ATOM 761 CB LEU B 26 16.162 -2.041 27.067 1.00 0.00 C ATOM 762 CG LEU B 26 17.231 -3.138 26.857 1.00 0.00 C ATOM 763 CD1 LEU B 26 18.656 -2.534 26.803 1.00 0.00 C ATOM 764 CD2 LEU B 26 17.140 -4.186 27.980 1.00 0.00 C ATOM 0 H LEU B 26 14.692 -0.190 27.732 1.00 0.00 H new ATOM 0 HA LEU B 26 15.824 -2.321 29.178 1.00 0.00 H new ATOM 0 HB2 LEU B 26 15.181 -2.440 26.811 1.00 0.00 H new ATOM 0 HB3 LEU B 26 16.357 -1.213 26.386 1.00 0.00 H new ATOM 0 HG LEU B 26 17.036 -3.620 25.899 1.00 0.00 H new ATOM 0 HD11 LEU B 26 19.384 -3.332 26.654 1.00 0.00 H new ATOM 0 HD12 LEU B 26 18.720 -1.826 25.977 1.00 0.00 H new ATOM 0 HD13 LEU B 26 18.869 -2.019 27.740 1.00 0.00 H new ATOM 0 HD21 LEU B 26 17.897 -4.954 27.823 1.00 0.00 H new ATOM 0 HD22 LEU B 26 17.307 -3.703 28.943 1.00 0.00 H new ATOM 0 HD23 LEU B 26 16.151 -4.644 27.971 1.00 0.00 H new ATOM 776 N VAL B 27 17.949 0.110 28.481 1.00 0.00 N ATOM 777 CA VAL B 27 19.255 0.622 28.871 1.00 0.00 C ATOM 778 C VAL B 27 19.268 0.898 30.375 1.00 0.00 C ATOM 779 O VAL B 27 20.216 0.565 31.079 1.00 0.00 O ATOM 780 CB VAL B 27 19.569 1.898 28.091 1.00 0.00 C ATOM 781 CG1 VAL B 27 20.904 2.478 28.572 1.00 0.00 C ATOM 782 CG2 VAL B 27 19.657 1.563 26.596 1.00 0.00 C ATOM 0 H VAL B 27 17.424 0.705 27.840 1.00 0.00 H new ATOM 0 HA VAL B 27 20.019 -0.121 28.641 1.00 0.00 H new ATOM 0 HB VAL B 27 18.781 2.634 28.254 1.00 0.00 H new ATOM 0 HG11 VAL B 27 21.127 3.388 28.015 1.00 0.00 H new ATOM 0 HG12 VAL B 27 20.838 2.710 29.635 1.00 0.00 H new ATOM 0 HG13 VAL B 27 21.698 1.749 28.408 1.00 0.00 H new ATOM 0 HG21 VAL B 27 19.881 2.469 26.033 1.00 0.00 H new ATOM 0 HG22 VAL B 27 20.447 0.830 26.433 1.00 0.00 H new ATOM 0 HG23 VAL B 27 18.706 1.152 26.259 1.00 0.00 H new ATOM 792 N MET B 28 18.195 1.514 30.847 1.00 0.00 N ATOM 793 CA MET B 28 18.062 1.844 32.265 1.00 0.00 C ATOM 794 C MET B 28 18.089 0.569 33.109 1.00 0.00 C ATOM 795 O MET B 28 18.556 0.580 34.248 1.00 0.00 O ATOM 796 CB MET B 28 16.761 2.613 32.524 1.00 0.00 C ATOM 797 CG MET B 28 16.917 4.060 32.052 1.00 0.00 C ATOM 798 SD MET B 28 15.359 4.949 32.300 1.00 0.00 S ATOM 799 CE MET B 28 15.341 4.889 34.108 1.00 0.00 C ATOM 0 H MET B 28 17.402 1.797 30.272 1.00 0.00 H new ATOM 0 HA MET B 28 18.902 2.478 32.548 1.00 0.00 H new ATOM 0 HB2 MET B 28 15.934 2.136 31.998 1.00 0.00 H new ATOM 0 HB3 MET B 28 16.519 2.591 33.587 1.00 0.00 H new ATOM 0 HG2 MET B 28 17.719 4.549 32.605 1.00 0.00 H new ATOM 0 HG3 MET B 28 17.197 4.082 30.999 1.00 0.00 H new ATOM 0 HE1 MET B 28 14.747 5.718 34.494 1.00 0.00 H new ATOM 0 HE2 MET B 28 14.904 3.946 34.436 1.00 0.00 H new ATOM 0 HE3 MET B 28 16.361 4.967 34.485 1.00 0.00 H new ATOM 809 N LEU B 29 17.608 -0.530 32.537 1.00 0.00 N ATOM 810 CA LEU B 29 17.605 -1.811 33.238 1.00 0.00 C ATOM 811 C LEU B 29 19.023 -2.368 33.362 1.00 0.00 C ATOM 812 O LEU B 29 19.345 -3.046 34.337 1.00 0.00 O ATOM 813 CB LEU B 29 16.708 -2.817 32.500 1.00 0.00 C ATOM 814 CG LEU B 29 15.227 -2.519 32.796 1.00 0.00 C ATOM 815 CD1 LEU B 29 14.349 -3.373 31.875 1.00 0.00 C ATOM 816 CD2 LEU B 29 14.890 -2.831 34.275 1.00 0.00 C ATOM 0 H LEU B 29 17.217 -0.561 31.595 1.00 0.00 H new ATOM 0 HA LEU B 29 17.210 -1.649 34.241 1.00 0.00 H new ATOM 0 HB2 LEU B 29 16.891 -2.761 31.427 1.00 0.00 H new ATOM 0 HB3 LEU B 29 16.953 -3.832 32.813 1.00 0.00 H new ATOM 0 HG LEU B 29 15.036 -1.461 32.616 1.00 0.00 H new ATOM 0 HD11 LEU B 29 13.298 -3.167 32.080 1.00 0.00 H new ATOM 0 HD12 LEU B 29 14.570 -3.132 30.835 1.00 0.00 H new ATOM 0 HD13 LEU B 29 14.553 -4.429 32.054 1.00 0.00 H new ATOM 0 HD21 LEU B 29 13.839 -2.613 34.462 1.00 0.00 H new ATOM 0 HD22 LEU B 29 15.084 -3.884 34.478 1.00 0.00 H new ATOM 0 HD23 LEU B 29 15.510 -2.215 34.927 1.00 0.00 H new ATOM 828 N LYS B 30 19.862 -2.098 32.361 1.00 0.00 N ATOM 829 CA LYS B 30 21.235 -2.604 32.383 1.00 0.00 C ATOM 830 C LYS B 30 21.861 -2.414 33.765 1.00 0.00 C ATOM 831 O LYS B 30 22.883 -3.024 34.080 1.00 0.00 O ATOM 832 CB LYS B 30 22.109 -1.896 31.341 1.00 0.00 C ATOM 833 CG LYS B 30 21.687 -2.308 29.930 1.00 0.00 C ATOM 834 CD LYS B 30 22.567 -1.585 28.906 1.00 0.00 C ATOM 835 CE LYS B 30 22.159 -2.000 27.492 1.00 0.00 C ATOM 836 NZ LYS B 30 22.182 -3.487 27.390 1.00 0.00 N ATOM 0 H LYS B 30 19.622 -1.543 31.540 1.00 0.00 H new ATOM 0 HA LYS B 30 21.188 -3.667 32.144 1.00 0.00 H new ATOM 0 HB2 LYS B 30 22.020 -0.816 31.454 1.00 0.00 H new ATOM 0 HB3 LYS B 30 23.157 -2.148 31.503 1.00 0.00 H new ATOM 0 HG2 LYS B 30 21.782 -3.387 29.810 1.00 0.00 H new ATOM 0 HG3 LYS B 30 20.639 -2.060 29.765 1.00 0.00 H new ATOM 0 HD2 LYS B 30 22.466 -0.506 29.022 1.00 0.00 H new ATOM 0 HD3 LYS B 30 23.616 -1.827 29.078 1.00 0.00 H new ATOM 0 HE2 LYS B 30 21.162 -1.624 27.263 1.00 0.00 H new ATOM 0 HE3 LYS B 30 22.840 -1.563 26.761 1.00 0.00 H new ATOM 0 HZ1 LYS B 30 22.294 -3.765 26.394 1.00 0.00 H new ATOM 0 HZ2 LYS B 30 22.978 -3.861 27.946 1.00 0.00 H new ATOM 0 HZ3 LYS B 30 21.290 -3.874 27.759 1.00 0.00 H new ATOM 850 N LYS B 31 21.238 -1.569 34.594 1.00 0.00 N ATOM 851 CA LYS B 31 21.738 -1.313 35.949 1.00 0.00 C ATOM 852 C LYS B 31 20.883 -2.048 36.979 1.00 0.00 C ATOM 853 O LYS B 31 20.768 -1.614 38.125 1.00 0.00 O ATOM 854 CB LYS B 31 21.705 0.187 36.245 1.00 0.00 C ATOM 855 CG LYS B 31 22.727 0.903 35.362 1.00 0.00 C ATOM 856 CD LYS B 31 22.715 2.400 35.674 1.00 0.00 C ATOM 857 CE LYS B 31 23.794 3.102 34.848 1.00 0.00 C ATOM 858 NZ LYS B 31 23.460 2.987 33.400 1.00 0.00 N ATOM 0 H LYS B 31 20.392 -1.054 34.352 1.00 0.00 H new ATOM 0 HA LYS B 31 22.764 -1.675 36.011 1.00 0.00 H new ATOM 0 HB2 LYS B 31 20.707 0.583 36.059 1.00 0.00 H new ATOM 0 HB3 LYS B 31 21.928 0.366 37.297 1.00 0.00 H new ATOM 0 HG2 LYS B 31 23.722 0.493 35.535 1.00 0.00 H new ATOM 0 HG3 LYS B 31 22.493 0.739 34.310 1.00 0.00 H new ATOM 0 HD2 LYS B 31 21.736 2.822 35.447 1.00 0.00 H new ATOM 0 HD3 LYS B 31 22.893 2.562 36.737 1.00 0.00 H new ATOM 0 HE2 LYS B 31 23.862 4.151 35.135 1.00 0.00 H new ATOM 0 HE3 LYS B 31 24.768 2.654 35.045 1.00 0.00 H new ATOM 0 HZ1 LYS B 31 24.009 3.687 32.861 1.00 0.00 H new ATOM 0 HZ2 LYS B 31 23.694 2.031 33.065 1.00 0.00 H new ATOM 0 HZ3 LYS B 31 22.444 3.163 33.263 1.00 0.00 H new ATOM 872 N LYS B 32 20.286 -3.164 36.560 1.00 0.00 N ATOM 873 CA LYS B 32 19.443 -3.967 37.447 1.00 0.00 C ATOM 874 C LYS B 32 19.856 -5.435 37.383 1.00 0.00 C ATOM 875 O LYS B 32 20.188 -5.890 36.301 1.00 0.00 O ATOM 876 CB LYS B 32 17.979 -3.837 37.025 1.00 0.00 C ATOM 877 CG LYS B 32 17.555 -2.363 37.026 1.00 0.00 C ATOM 878 CD LYS B 32 17.506 -1.820 38.462 1.00 0.00 C ATOM 879 CE LYS B 32 16.686 -0.526 38.494 1.00 0.00 C ATOM 880 NZ LYS B 32 15.233 -0.856 38.439 1.00 0.00 N ATOM 0 H LYS B 32 20.370 -3.533 35.613 1.00 0.00 H new ATOM 0 HA LYS B 32 19.565 -3.605 38.468 1.00 0.00 H new ATOM 0 HB2 LYS B 32 17.841 -4.262 36.031 1.00 0.00 H new ATOM 0 HB3 LYS B 32 17.345 -4.406 37.706 1.00 0.00 H new ATOM 0 HG2 LYS B 32 18.256 -1.776 36.432 1.00 0.00 H new ATOM 0 HG3 LYS B 32 16.576 -2.259 36.558 1.00 0.00 H new ATOM 0 HD2 LYS B 32 17.062 -2.561 39.127 1.00 0.00 H new ATOM 0 HD3 LYS B 32 18.516 -1.631 38.825 1.00 0.00 H new ATOM 0 HE2 LYS B 32 16.908 0.035 39.402 1.00 0.00 H new ATOM 0 HE3 LYS B 32 16.957 0.110 37.651 1.00 0.00 H new ATOM 0 HZ1 LYS B 32 14.677 -0.026 38.729 1.00 0.00 H new ATOM 0 HZ2 LYS B 32 14.974 -1.124 37.468 1.00 0.00 H new ATOM 0 HZ3 LYS B 32 15.033 -1.649 39.082 1.00 0.00 H new TER 894 LYS B 32