USER MOD reduce.3.24.130724 H: found=0, std=0, add=494, rem=0, adj=10 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 Set 1.1: B 20 THR OG1 : rot -29:sc= 0.963 USER MOD Set 1.2: B 21 MET CE :methyl -163:sc=-0.00262 (180deg=-0.0716) USER MOD Set 2.1: A 20 THR OG1 : rot -38:sc= 1.04 USER MOD Set 2.2: A 21 MET CE :methyl -164:sc=-0.00111 (180deg=-0.0674) USER MOD Single : A 5 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 12 MET CE :methyl -167:sc= -0.0975 (180deg=-0.403) USER MOD Single : A 25 THR OG1 : rot 180:sc= 0 USER MOD Single : A 28 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Single : A 30 LYS NZ :NH3+ 160:sc= -0.0271 (180deg=-0.292) USER MOD Single : A 31 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 32 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : B 5 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : B 12 MET CE :methyl -167:sc= -0.0969 (180deg=-0.394) USER MOD Single : B 25 THR OG1 : rot 180:sc= 0 USER MOD Single : B 28 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Single : B 30 LYS NZ :NH3+ 159:sc= -0.0255 (180deg=-0.258) USER MOD Single : B 31 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : B 32 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD ----------------------------------------------------------------- ATOM 1 N LYS A 5 5.187 1.202 -4.839 1.00 0.00 N ATOM 2 CA LYS A 5 4.663 1.619 -3.508 1.00 0.00 C ATOM 3 C LYS A 5 5.836 1.862 -2.565 1.00 0.00 C ATOM 4 O LYS A 5 5.783 1.510 -1.387 1.00 0.00 O ATOM 5 CB LYS A 5 3.766 0.511 -2.945 1.00 0.00 C ATOM 6 CG LYS A 5 2.648 0.165 -3.940 1.00 0.00 C ATOM 7 CD LYS A 5 1.705 1.361 -4.127 1.00 0.00 C ATOM 8 CE LYS A 5 0.420 0.892 -4.811 1.00 0.00 C ATOM 9 NZ LYS A 5 -0.510 2.047 -4.963 1.00 0.00 N ATOM 0 HA LYS A 5 4.081 2.535 -3.609 1.00 0.00 H new ATOM 0 HB2 LYS A 5 4.363 -0.377 -2.736 1.00 0.00 H new ATOM 0 HB3 LYS A 5 3.332 0.833 -1.998 1.00 0.00 H new ATOM 0 HG2 LYS A 5 3.082 -0.117 -4.899 1.00 0.00 H new ATOM 0 HG3 LYS A 5 2.086 -0.696 -3.579 1.00 0.00 H new ATOM 0 HD2 LYS A 5 1.473 1.810 -3.161 1.00 0.00 H new ATOM 0 HD3 LYS A 5 2.190 2.130 -4.728 1.00 0.00 H new ATOM 0 HE2 LYS A 5 0.650 0.465 -5.787 1.00 0.00 H new ATOM 0 HE3 LYS A 5 -0.052 0.106 -4.222 1.00 0.00 H new ATOM 0 HZ1 LYS A 5 -1.384 1.730 -5.428 1.00 0.00 H new ATOM 0 HZ2 LYS A 5 -0.738 2.435 -4.025 1.00 0.00 H new ATOM 0 HZ3 LYS A 5 -0.058 2.783 -5.542 1.00 0.00 H new ATOM 22 N GLY A 6 6.894 2.470 -3.093 1.00 0.00 N ATOM 23 CA GLY A 6 8.077 2.759 -2.291 1.00 0.00 C ATOM 24 C GLY A 6 7.751 3.748 -1.179 1.00 0.00 C ATOM 25 O GLY A 6 8.313 3.680 -0.086 1.00 0.00 O ATOM 0 H GLY A 6 6.956 2.770 -4.066 1.00 0.00 H new ATOM 0 HA2 GLY A 6 8.464 1.836 -1.860 1.00 0.00 H new ATOM 0 HA3 GLY A 6 8.862 3.167 -2.928 1.00 0.00 H new ATOM 29 N ALA A 7 6.842 4.668 -1.464 1.00 0.00 N ATOM 30 CA ALA A 7 6.448 5.665 -0.480 1.00 0.00 C ATOM 31 C ALA A 7 5.825 4.994 0.741 1.00 0.00 C ATOM 32 O ALA A 7 5.918 5.509 1.854 1.00 0.00 O ATOM 33 CB ALA A 7 5.447 6.642 -1.098 1.00 0.00 C ATOM 0 H ALA A 7 6.366 4.745 -2.363 1.00 0.00 H new ATOM 0 HA ALA A 7 7.338 6.211 -0.165 1.00 0.00 H new ATOM 0 HB1 ALA A 7 5.157 7.385 -0.355 1.00 0.00 H new ATOM 0 HB2 ALA A 7 5.906 7.142 -1.951 1.00 0.00 H new ATOM 0 HB3 ALA A 7 4.563 6.097 -1.429 1.00 0.00 H new ATOM 39 N ILE A 8 5.185 3.846 0.527 1.00 0.00 N ATOM 40 CA ILE A 8 4.552 3.131 1.631 1.00 0.00 C ATOM 41 C ILE A 8 5.605 2.526 2.560 1.00 0.00 C ATOM 42 O ILE A 8 5.601 2.784 3.763 1.00 0.00 O ATOM 43 CB ILE A 8 3.638 2.025 1.080 1.00 0.00 C ATOM 44 CG1 ILE A 8 2.400 2.658 0.430 1.00 0.00 C ATOM 45 CG2 ILE A 8 3.188 1.101 2.219 1.00 0.00 C ATOM 46 CD1 ILE A 8 2.808 3.509 -0.780 1.00 0.00 C ATOM 0 H ILE A 8 5.092 3.398 -0.385 1.00 0.00 H new ATOM 0 HA ILE A 8 3.955 3.839 2.205 1.00 0.00 H new ATOM 0 HB ILE A 8 4.190 1.446 0.340 1.00 0.00 H new ATOM 0 HG12 ILE A 8 1.707 1.878 0.117 1.00 0.00 H new ATOM 0 HG13 ILE A 8 1.875 3.277 1.158 1.00 0.00 H new ATOM 0 HG21 ILE A 8 2.541 0.320 1.820 1.00 0.00 H new ATOM 0 HG22 ILE A 8 4.062 0.645 2.685 1.00 0.00 H new ATOM 0 HG23 ILE A 8 2.641 1.680 2.963 1.00 0.00 H new ATOM 0 HD11 ILE A 8 1.919 3.951 -1.230 1.00 0.00 H new ATOM 0 HD12 ILE A 8 3.483 4.301 -0.457 1.00 0.00 H new ATOM 0 HD13 ILE A 8 3.312 2.880 -1.514 1.00 0.00 H new ATOM 58 N ILE A 9 6.502 1.713 2.000 1.00 0.00 N ATOM 59 CA ILE A 9 7.539 1.083 2.806 1.00 0.00 C ATOM 60 C ILE A 9 8.541 2.129 3.289 1.00 0.00 C ATOM 61 O ILE A 9 8.962 2.111 4.442 1.00 0.00 O ATOM 62 CB ILE A 9 8.251 -0.011 1.995 1.00 0.00 C ATOM 63 CG1 ILE A 9 9.089 -0.910 2.932 1.00 0.00 C ATOM 64 CG2 ILE A 9 9.164 0.636 0.951 1.00 0.00 C ATOM 65 CD1 ILE A 9 8.208 -2.002 3.554 1.00 0.00 C ATOM 0 H ILE A 9 6.529 1.480 1.007 1.00 0.00 H new ATOM 0 HA ILE A 9 7.075 0.621 3.677 1.00 0.00 H new ATOM 0 HB ILE A 9 7.502 -0.624 1.494 1.00 0.00 H new ATOM 0 HG12 ILE A 9 9.906 -1.367 2.373 1.00 0.00 H new ATOM 0 HG13 ILE A 9 9.540 -0.306 3.719 1.00 0.00 H new ATOM 0 HG21 ILE A 9 9.668 -0.141 0.377 1.00 0.00 H new ATOM 0 HG22 ILE A 9 8.568 1.254 0.280 1.00 0.00 H new ATOM 0 HG23 ILE A 9 9.907 1.257 1.452 1.00 0.00 H new ATOM 0 HD11 ILE A 9 8.813 -2.627 4.211 1.00 0.00 H new ATOM 0 HD12 ILE A 9 7.407 -1.539 4.130 1.00 0.00 H new ATOM 0 HD13 ILE A 9 7.778 -2.617 2.763 1.00 0.00 H new ATOM 77 N GLY A 10 8.909 3.042 2.391 1.00 0.00 N ATOM 78 CA GLY A 10 9.861 4.106 2.721 1.00 0.00 C ATOM 79 C GLY A 10 9.658 4.588 4.156 1.00 0.00 C ATOM 80 O GLY A 10 10.571 4.536 4.978 1.00 0.00 O ATOM 0 H GLY A 10 8.564 3.068 1.431 1.00 0.00 H new ATOM 0 HA2 GLY A 10 10.880 3.740 2.596 1.00 0.00 H new ATOM 0 HA3 GLY A 10 9.735 4.940 2.031 1.00 0.00 H new ATOM 84 N LEU A 11 8.450 5.056 4.439 1.00 0.00 N ATOM 85 CA LEU A 11 8.117 5.545 5.770 1.00 0.00 C ATOM 86 C LEU A 11 8.173 4.413 6.794 1.00 0.00 C ATOM 87 O LEU A 11 8.432 4.650 7.964 1.00 0.00 O ATOM 88 CB LEU A 11 6.722 6.193 5.763 1.00 0.00 C ATOM 89 CG LEU A 11 6.815 7.648 5.269 1.00 0.00 C ATOM 90 CD1 LEU A 11 7.558 8.528 6.301 1.00 0.00 C ATOM 91 CD2 LEU A 11 7.554 7.678 3.923 1.00 0.00 C ATOM 0 H LEU A 11 7.685 5.107 3.766 1.00 0.00 H new ATOM 0 HA LEU A 11 8.853 6.297 6.054 1.00 0.00 H new ATOM 0 HB2 LEU A 11 6.052 5.624 5.118 1.00 0.00 H new ATOM 0 HB3 LEU A 11 6.296 6.168 6.766 1.00 0.00 H new ATOM 0 HG LEU A 11 5.808 8.046 5.144 1.00 0.00 H new ATOM 0 HD11 LEU A 11 7.613 9.553 5.933 1.00 0.00 H new ATOM 0 HD12 LEU A 11 7.019 8.511 7.248 1.00 0.00 H new ATOM 0 HD13 LEU A 11 8.566 8.141 6.450 1.00 0.00 H new ATOM 0 HD21 LEU A 11 7.623 8.706 3.568 1.00 0.00 H new ATOM 0 HD22 LEU A 11 8.557 7.270 4.049 1.00 0.00 H new ATOM 0 HD23 LEU A 11 7.008 7.079 3.195 1.00 0.00 H new ATOM 103 N MET A 12 7.910 3.193 6.359 1.00 0.00 N ATOM 104 CA MET A 12 7.932 2.057 7.255 1.00 0.00 C ATOM 105 C MET A 12 9.342 1.792 7.776 1.00 0.00 C ATOM 106 O MET A 12 9.601 1.880 8.978 1.00 0.00 O ATOM 107 CB MET A 12 7.424 0.844 6.475 1.00 0.00 C ATOM 108 CG MET A 12 6.899 -0.231 7.411 1.00 0.00 C ATOM 109 SD MET A 12 8.284 -1.146 8.143 1.00 0.00 S ATOM 110 CE MET A 12 8.014 -0.693 9.878 1.00 0.00 C ATOM 0 H MET A 12 7.679 2.967 5.392 1.00 0.00 H new ATOM 0 HA MET A 12 7.299 2.257 8.120 1.00 0.00 H new ATOM 0 HB2 MET A 12 6.633 1.153 5.792 1.00 0.00 H new ATOM 0 HB3 MET A 12 8.231 0.437 5.865 1.00 0.00 H new ATOM 0 HG2 MET A 12 6.296 0.223 8.197 1.00 0.00 H new ATOM 0 HG3 MET A 12 6.249 -0.915 6.865 1.00 0.00 H new ATOM 0 HE1 MET A 12 8.891 -0.965 10.466 1.00 0.00 H new ATOM 0 HE2 MET A 12 7.847 0.382 9.952 1.00 0.00 H new ATOM 0 HE3 MET A 12 7.142 -1.223 10.261 1.00 0.00 H new ATOM 120 N VAL A 13 10.237 1.450 6.863 1.00 0.00 N ATOM 121 CA VAL A 13 11.617 1.148 7.212 1.00 0.00 C ATOM 122 C VAL A 13 12.359 2.383 7.719 1.00 0.00 C ATOM 123 O VAL A 13 13.376 2.259 8.401 1.00 0.00 O ATOM 124 CB VAL A 13 12.333 0.530 6.014 1.00 0.00 C ATOM 125 CG1 VAL A 13 11.705 -0.837 5.720 1.00 0.00 C ATOM 126 CG2 VAL A 13 12.180 1.436 4.788 1.00 0.00 C ATOM 0 H VAL A 13 10.031 1.374 5.867 1.00 0.00 H new ATOM 0 HA VAL A 13 11.609 0.427 8.029 1.00 0.00 H new ATOM 0 HB VAL A 13 13.394 0.417 6.238 1.00 0.00 H new ATOM 0 HG11 VAL A 13 12.206 -1.292 4.866 1.00 0.00 H new ATOM 0 HG12 VAL A 13 11.815 -1.483 6.591 1.00 0.00 H new ATOM 0 HG13 VAL A 13 10.646 -0.710 5.494 1.00 0.00 H new ATOM 0 HG21 VAL A 13 12.694 0.988 3.938 1.00 0.00 H new ATOM 0 HG22 VAL A 13 11.122 1.553 4.552 1.00 0.00 H new ATOM 0 HG23 VAL A 13 12.615 2.413 5.001 1.00 0.00 H new ATOM 136 N GLY A 14 11.852 3.571 7.402 1.00 0.00 N ATOM 137 CA GLY A 14 12.486 4.806 7.862 1.00 0.00 C ATOM 138 C GLY A 14 11.953 5.217 9.237 1.00 0.00 C ATOM 139 O GLY A 14 12.711 5.660 10.099 1.00 0.00 O ATOM 0 H GLY A 14 11.015 3.706 6.836 1.00 0.00 H new ATOM 0 HA2 GLY A 14 13.566 4.667 7.913 1.00 0.00 H new ATOM 0 HA3 GLY A 14 12.301 5.604 7.143 1.00 0.00 H new ATOM 143 N GLY A 15 10.642 5.073 9.428 1.00 0.00 N ATOM 144 CA GLY A 15 10.024 5.446 10.695 1.00 0.00 C ATOM 145 C GLY A 15 10.741 4.759 11.842 1.00 0.00 C ATOM 146 O GLY A 15 11.107 5.387 12.835 1.00 0.00 O ATOM 0 H GLY A 15 9.996 4.705 8.730 1.00 0.00 H new ATOM 0 HA2 GLY A 15 10.065 6.527 10.825 1.00 0.00 H new ATOM 0 HA3 GLY A 15 8.971 5.165 10.693 1.00 0.00 H new ATOM 150 N VAL A 16 10.918 3.456 11.699 1.00 0.00 N ATOM 151 CA VAL A 16 11.572 2.672 12.732 1.00 0.00 C ATOM 152 C VAL A 16 12.816 3.387 13.242 1.00 0.00 C ATOM 153 O VAL A 16 12.986 3.554 14.446 1.00 0.00 O ATOM 154 CB VAL A 16 11.936 1.278 12.204 1.00 0.00 C ATOM 155 CG1 VAL A 16 10.676 0.411 12.112 1.00 0.00 C ATOM 156 CG2 VAL A 16 12.556 1.396 10.815 1.00 0.00 C ATOM 0 H VAL A 16 10.620 2.922 10.883 1.00 0.00 H new ATOM 0 HA VAL A 16 10.876 2.556 13.563 1.00 0.00 H new ATOM 0 HB VAL A 16 12.650 0.819 12.888 1.00 0.00 H new ATOM 0 HG11 VAL A 16 10.941 -0.577 11.737 1.00 0.00 H new ATOM 0 HG12 VAL A 16 10.227 0.315 13.101 1.00 0.00 H new ATOM 0 HG13 VAL A 16 9.962 0.878 11.433 1.00 0.00 H new ATOM 0 HG21 VAL A 16 12.812 0.403 10.445 1.00 0.00 H new ATOM 0 HG22 VAL A 16 11.842 1.863 10.136 1.00 0.00 H new ATOM 0 HG23 VAL A 16 13.457 2.007 10.870 1.00 0.00 H new ATOM 166 N VAL A 17 13.681 3.806 12.336 1.00 0.00 N ATOM 167 CA VAL A 17 14.903 4.489 12.736 1.00 0.00 C ATOM 168 C VAL A 17 14.582 5.733 13.561 1.00 0.00 C ATOM 169 O VAL A 17 15.210 5.988 14.584 1.00 0.00 O ATOM 170 CB VAL A 17 15.690 4.909 11.497 1.00 0.00 C ATOM 171 CG1 VAL A 17 16.933 5.690 11.930 1.00 0.00 C ATOM 172 CG2 VAL A 17 16.111 3.669 10.702 1.00 0.00 C ATOM 0 H VAL A 17 13.565 3.689 11.329 1.00 0.00 H new ATOM 0 HA VAL A 17 15.494 3.802 13.341 1.00 0.00 H new ATOM 0 HB VAL A 17 15.063 5.539 10.866 1.00 0.00 H new ATOM 0 HG11 VAL A 17 17.498 5.992 11.048 1.00 0.00 H new ATOM 0 HG12 VAL A 17 16.630 6.576 12.488 1.00 0.00 H new ATOM 0 HG13 VAL A 17 17.557 5.059 12.563 1.00 0.00 H new ATOM 0 HG21 VAL A 17 16.672 3.976 9.819 1.00 0.00 H new ATOM 0 HG22 VAL A 17 16.737 3.032 11.326 1.00 0.00 H new ATOM 0 HG23 VAL A 17 15.224 3.116 10.394 1.00 0.00 H new ATOM 182 N ILE A 18 13.595 6.493 13.112 1.00 0.00 N ATOM 183 CA ILE A 18 13.209 7.705 13.834 1.00 0.00 C ATOM 184 C ILE A 18 12.748 7.328 15.240 1.00 0.00 C ATOM 185 O ILE A 18 13.182 7.909 16.231 1.00 0.00 O ATOM 186 CB ILE A 18 12.079 8.437 13.100 1.00 0.00 C ATOM 187 CG1 ILE A 18 12.478 8.691 11.638 1.00 0.00 C ATOM 188 CG2 ILE A 18 11.803 9.772 13.793 1.00 0.00 C ATOM 189 CD1 ILE A 18 13.839 9.393 11.563 1.00 0.00 C ATOM 0 H ILE A 18 13.054 6.302 12.269 1.00 0.00 H new ATOM 0 HA ILE A 18 14.071 8.370 13.891 1.00 0.00 H new ATOM 0 HB ILE A 18 11.181 7.820 13.122 1.00 0.00 H new ATOM 0 HG12 ILE A 18 12.521 7.745 11.098 1.00 0.00 H new ATOM 0 HG13 ILE A 18 11.720 9.303 11.150 1.00 0.00 H new ATOM 0 HG21 ILE A 18 11.000 10.293 13.272 1.00 0.00 H new ATOM 0 HG22 ILE A 18 11.508 9.591 14.827 1.00 0.00 H new ATOM 0 HG23 ILE A 18 12.704 10.384 13.775 1.00 0.00 H new ATOM 0 HD11 ILE A 18 14.103 9.564 10.519 1.00 0.00 H new ATOM 0 HD12 ILE A 18 13.785 10.349 12.085 1.00 0.00 H new ATOM 0 HD13 ILE A 18 14.598 8.766 12.032 1.00 0.00 H new ATOM 201 N ALA A 19 11.855 6.356 15.310 1.00 0.00 N ATOM 202 CA ALA A 19 11.324 5.912 16.596 1.00 0.00 C ATOM 203 C ALA A 19 12.456 5.483 17.535 1.00 0.00 C ATOM 204 O ALA A 19 12.395 5.724 18.741 1.00 0.00 O ATOM 205 CB ALA A 19 10.364 4.748 16.382 1.00 0.00 C ATOM 0 H ALA A 19 11.482 5.860 14.501 1.00 0.00 H new ATOM 0 HA ALA A 19 10.792 6.745 17.055 1.00 0.00 H new ATOM 0 HB1 ALA A 19 9.970 4.420 17.344 1.00 0.00 H new ATOM 0 HB2 ALA A 19 9.541 5.068 15.743 1.00 0.00 H new ATOM 0 HB3 ALA A 19 10.893 3.923 15.906 1.00 0.00 H new ATOM 211 N THR A 20 13.486 4.861 16.976 1.00 0.00 N ATOM 212 CA THR A 20 14.633 4.410 17.766 1.00 0.00 C ATOM 213 C THR A 20 15.485 5.583 18.207 1.00 0.00 C ATOM 214 O THR A 20 16.279 5.463 19.140 1.00 0.00 O ATOM 215 CB THR A 20 15.521 3.475 16.930 1.00 0.00 C ATOM 216 OG1 THR A 20 16.180 4.244 15.933 1.00 0.00 O ATOM 217 CG2 THR A 20 14.699 2.374 16.235 1.00 0.00 C ATOM 0 H THR A 20 13.554 4.656 15.979 1.00 0.00 H new ATOM 0 HA THR A 20 14.240 3.888 18.639 1.00 0.00 H new ATOM 0 HB THR A 20 16.235 2.996 17.601 1.00 0.00 H new ATOM 0 HG1 THR A 20 15.566 4.924 15.586 1.00 0.00 H new ATOM 0 HG21 THR A 20 15.364 1.735 15.654 1.00 0.00 H new ATOM 0 HG22 THR A 20 14.185 1.775 16.986 1.00 0.00 H new ATOM 0 HG23 THR A 20 13.965 2.832 15.571 1.00 0.00 H new ATOM 225 N MET A 21 15.327 6.718 17.546 1.00 0.00 N ATOM 226 CA MET A 21 16.097 7.894 17.913 1.00 0.00 C ATOM 227 C MET A 21 15.441 8.607 19.087 1.00 0.00 C ATOM 228 O MET A 21 16.130 9.203 19.916 1.00 0.00 O ATOM 229 CB MET A 21 16.227 8.844 16.719 1.00 0.00 C ATOM 230 CG MET A 21 17.250 8.290 15.713 1.00 0.00 C ATOM 231 SD MET A 21 18.909 8.241 16.456 1.00 0.00 S ATOM 232 CE MET A 21 19.105 6.438 16.531 1.00 0.00 C ATOM 0 H MET A 21 14.684 6.849 16.765 1.00 0.00 H new ATOM 0 HA MET A 21 17.096 7.576 18.211 1.00 0.00 H new ATOM 0 HB2 MET A 21 15.258 8.967 16.235 1.00 0.00 H new ATOM 0 HB3 MET A 21 16.539 9.831 17.061 1.00 0.00 H new ATOM 0 HG2 MET A 21 16.955 7.288 15.400 1.00 0.00 H new ATOM 0 HG3 MET A 21 17.264 8.913 14.819 1.00 0.00 H new ATOM 0 HE1 MET A 21 19.923 6.189 17.206 1.00 0.00 H new ATOM 0 HE2 MET A 21 18.183 5.987 16.897 1.00 0.00 H new ATOM 0 HE3 MET A 21 19.327 6.054 15.535 1.00 0.00 H new ATOM 242 N ILE A 22 14.109 8.555 19.166 1.00 0.00 N ATOM 243 CA ILE A 22 13.406 9.216 20.256 1.00 0.00 C ATOM 244 C ILE A 22 13.786 8.592 21.599 1.00 0.00 C ATOM 245 O ILE A 22 14.065 9.306 22.560 1.00 0.00 O ATOM 246 CB ILE A 22 11.893 9.083 20.038 1.00 0.00 C ATOM 247 CG1 ILE A 22 11.476 9.884 18.796 1.00 0.00 C ATOM 248 CG2 ILE A 22 11.141 9.621 21.260 1.00 0.00 C ATOM 249 CD1 ILE A 22 10.032 9.535 18.414 1.00 0.00 C ATOM 0 H ILE A 22 13.509 8.070 18.499 1.00 0.00 H new ATOM 0 HA ILE A 22 13.688 10.269 20.270 1.00 0.00 H new ATOM 0 HB ILE A 22 11.648 8.031 19.895 1.00 0.00 H new ATOM 0 HG12 ILE A 22 11.561 10.952 18.995 1.00 0.00 H new ATOM 0 HG13 ILE A 22 12.146 9.660 17.966 1.00 0.00 H new ATOM 0 HG21 ILE A 22 10.067 9.524 21.099 1.00 0.00 H new ATOM 0 HG22 ILE A 22 11.428 9.051 22.144 1.00 0.00 H new ATOM 0 HG23 ILE A 22 11.392 10.671 21.408 1.00 0.00 H new ATOM 0 HD11 ILE A 22 9.741 10.106 17.532 1.00 0.00 H new ATOM 0 HD12 ILE A 22 9.961 8.469 18.196 1.00 0.00 H new ATOM 0 HD13 ILE A 22 9.367 9.781 19.242 1.00 0.00 H new ATOM 261 N VAL A 23 13.784 7.261 21.667 1.00 0.00 N ATOM 262 CA VAL A 23 14.119 6.571 22.917 1.00 0.00 C ATOM 263 C VAL A 23 15.552 6.868 23.323 1.00 0.00 C ATOM 264 O VAL A 23 15.864 7.010 24.501 1.00 0.00 O ATOM 265 CB VAL A 23 13.944 5.054 22.768 1.00 0.00 C ATOM 266 CG1 VAL A 23 12.467 4.719 22.482 1.00 0.00 C ATOM 267 CG2 VAL A 23 14.833 4.541 21.629 1.00 0.00 C ATOM 0 H VAL A 23 13.558 6.645 20.886 1.00 0.00 H new ATOM 0 HA VAL A 23 13.440 6.936 23.688 1.00 0.00 H new ATOM 0 HB VAL A 23 14.239 4.566 23.697 1.00 0.00 H new ATOM 0 HG11 VAL A 23 12.352 3.640 22.378 1.00 0.00 H new ATOM 0 HG12 VAL A 23 11.848 5.072 23.307 1.00 0.00 H new ATOM 0 HG13 VAL A 23 12.155 5.208 21.559 1.00 0.00 H new ATOM 0 HG21 VAL A 23 14.706 3.463 21.526 1.00 0.00 H new ATOM 0 HG22 VAL A 23 14.549 5.031 20.697 1.00 0.00 H new ATOM 0 HG23 VAL A 23 15.876 4.764 21.853 1.00 0.00 H new ATOM 277 N ILE A 24 16.415 6.977 22.337 1.00 0.00 N ATOM 278 CA ILE A 24 17.819 7.275 22.596 1.00 0.00 C ATOM 279 C ILE A 24 17.920 8.392 23.655 1.00 0.00 C ATOM 280 O ILE A 24 18.939 8.535 24.334 1.00 0.00 O ATOM 281 CB ILE A 24 18.504 7.672 21.250 1.00 0.00 C ATOM 282 CG1 ILE A 24 19.689 6.732 20.949 1.00 0.00 C ATOM 283 CG2 ILE A 24 19.013 9.124 21.268 1.00 0.00 C ATOM 284 CD1 ILE A 24 19.198 5.274 20.819 1.00 0.00 C ATOM 0 H ILE A 24 16.178 6.866 21.351 1.00 0.00 H new ATOM 0 HA ILE A 24 18.336 6.402 22.994 1.00 0.00 H new ATOM 0 HB ILE A 24 17.746 7.580 20.472 1.00 0.00 H new ATOM 0 HG12 ILE A 24 20.181 7.041 20.027 1.00 0.00 H new ATOM 0 HG13 ILE A 24 20.430 6.804 21.745 1.00 0.00 H new ATOM 0 HG21 ILE A 24 19.482 9.357 20.312 1.00 0.00 H new ATOM 0 HG22 ILE A 24 18.175 9.801 21.436 1.00 0.00 H new ATOM 0 HG23 ILE A 24 19.743 9.244 22.069 1.00 0.00 H new ATOM 0 HD11 ILE A 24 20.045 4.622 20.607 1.00 0.00 H new ATOM 0 HD12 ILE A 24 18.727 4.964 21.752 1.00 0.00 H new ATOM 0 HD13 ILE A 24 18.474 5.205 20.007 1.00 0.00 H new ATOM 296 N THR A 25 16.841 9.165 23.782 1.00 0.00 N ATOM 297 CA THR A 25 16.791 10.263 24.758 1.00 0.00 C ATOM 298 C THR A 25 16.445 9.727 26.152 1.00 0.00 C ATOM 299 O THR A 25 17.037 10.133 27.148 1.00 0.00 O ATOM 300 CB THR A 25 15.779 11.345 24.302 1.00 0.00 C ATOM 301 OG1 THR A 25 16.233 12.621 24.727 1.00 0.00 O ATOM 302 CG2 THR A 25 14.379 11.103 24.887 1.00 0.00 C ATOM 0 H THR A 25 15.993 9.055 23.227 1.00 0.00 H new ATOM 0 HA THR A 25 17.775 10.728 24.815 1.00 0.00 H new ATOM 0 HB THR A 25 15.710 11.297 23.215 1.00 0.00 H new ATOM 0 HG1 THR A 25 15.596 13.308 24.439 1.00 0.00 H new ATOM 0 HG21 THR A 25 13.701 11.884 24.543 1.00 0.00 H new ATOM 0 HG22 THR A 25 14.010 10.131 24.559 1.00 0.00 H new ATOM 0 HG23 THR A 25 14.431 11.122 25.976 1.00 0.00 H new ATOM 310 N LEU A 26 15.483 8.812 26.212 1.00 0.00 N ATOM 311 CA LEU A 26 15.051 8.212 27.472 1.00 0.00 C ATOM 312 C LEU A 26 16.264 7.765 28.297 1.00 0.00 C ATOM 313 O LEU A 26 16.279 7.857 29.522 1.00 0.00 O ATOM 314 CB LEU A 26 14.129 7.031 27.097 1.00 0.00 C ATOM 315 CG LEU A 26 13.800 6.102 28.277 1.00 0.00 C ATOM 316 CD1 LEU A 26 14.999 5.195 28.637 1.00 0.00 C ATOM 317 CD2 LEU A 26 13.330 6.919 29.497 1.00 0.00 C ATOM 0 H LEU A 26 14.982 8.466 25.394 1.00 0.00 H new ATOM 0 HA LEU A 26 14.511 8.923 28.097 1.00 0.00 H new ATOM 0 HB2 LEU A 26 13.199 7.424 26.686 1.00 0.00 H new ATOM 0 HB3 LEU A 26 14.604 6.447 26.309 1.00 0.00 H new ATOM 0 HG LEU A 26 12.983 5.449 27.971 1.00 0.00 H new ATOM 0 HD11 LEU A 26 14.730 4.552 29.475 1.00 0.00 H new ATOM 0 HD12 LEU A 26 15.261 4.579 27.777 1.00 0.00 H new ATOM 0 HD13 LEU A 26 15.853 5.813 28.914 1.00 0.00 H new ATOM 0 HD21 LEU A 26 13.102 6.243 30.321 1.00 0.00 H new ATOM 0 HD22 LEU A 26 14.119 7.608 29.800 1.00 0.00 H new ATOM 0 HD23 LEU A 26 12.436 7.485 29.234 1.00 0.00 H new ATOM 329 N VAL A 27 17.297 7.332 27.603 1.00 0.00 N ATOM 330 CA VAL A 27 18.536 6.911 28.259 1.00 0.00 C ATOM 331 C VAL A 27 19.187 8.122 28.926 1.00 0.00 C ATOM 332 O VAL A 27 19.674 8.050 30.052 1.00 0.00 O ATOM 333 CB VAL A 27 19.488 6.316 27.229 1.00 0.00 C ATOM 334 CG1 VAL A 27 20.761 5.811 27.920 1.00 0.00 C ATOM 335 CG2 VAL A 27 18.787 5.168 26.512 1.00 0.00 C ATOM 0 H VAL A 27 17.311 7.259 26.586 1.00 0.00 H new ATOM 0 HA VAL A 27 18.312 6.156 29.012 1.00 0.00 H new ATOM 0 HB VAL A 27 19.769 7.080 26.504 1.00 0.00 H new ATOM 0 HG11 VAL A 27 21.435 5.387 27.176 1.00 0.00 H new ATOM 0 HG12 VAL A 27 21.254 6.641 28.426 1.00 0.00 H new ATOM 0 HG13 VAL A 27 20.499 5.045 28.650 1.00 0.00 H new ATOM 0 HG21 VAL A 27 19.461 4.735 25.772 1.00 0.00 H new ATOM 0 HG22 VAL A 27 18.505 4.404 27.237 1.00 0.00 H new ATOM 0 HG23 VAL A 27 17.893 5.542 26.013 1.00 0.00 H new ATOM 345 N MET A 28 19.176 9.234 28.199 1.00 0.00 N ATOM 346 CA MET A 28 19.750 10.484 28.693 1.00 0.00 C ATOM 347 C MET A 28 18.952 11.001 29.887 1.00 0.00 C ATOM 348 O MET A 28 19.510 11.608 30.801 1.00 0.00 O ATOM 349 CB MET A 28 19.769 11.547 27.589 1.00 0.00 C ATOM 350 CG MET A 28 20.767 11.149 26.503 1.00 0.00 C ATOM 351 SD MET A 28 20.788 12.417 25.212 1.00 0.00 S ATOM 352 CE MET A 28 21.789 11.505 24.012 1.00 0.00 C ATOM 0 H MET A 28 18.775 9.297 27.263 1.00 0.00 H new ATOM 0 HA MET A 28 20.775 10.283 29.006 1.00 0.00 H new ATOM 0 HB2 MET A 28 18.773 11.655 27.159 1.00 0.00 H new ATOM 0 HB3 MET A 28 20.042 12.515 28.009 1.00 0.00 H new ATOM 0 HG2 MET A 28 21.762 11.035 26.932 1.00 0.00 H new ATOM 0 HG3 MET A 28 20.492 10.185 26.076 1.00 0.00 H new ATOM 0 HE1 MET A 28 21.930 12.113 23.119 1.00 0.00 H new ATOM 0 HE2 MET A 28 22.760 11.273 24.450 1.00 0.00 H new ATOM 0 HE3 MET A 28 21.281 10.579 23.744 1.00 0.00 H new ATOM 362 N LEU A 29 17.644 10.763 29.873 1.00 0.00 N ATOM 363 CA LEU A 29 16.787 11.218 30.962 1.00 0.00 C ATOM 364 C LEU A 29 17.005 10.358 32.204 1.00 0.00 C ATOM 365 O LEU A 29 16.369 10.573 33.236 1.00 0.00 O ATOM 366 CB LEU A 29 15.314 11.139 30.542 1.00 0.00 C ATOM 367 CG LEU A 29 15.068 12.003 29.295 1.00 0.00 C ATOM 368 CD1 LEU A 29 13.603 11.860 28.865 1.00 0.00 C ATOM 369 CD2 LEU A 29 15.372 13.480 29.606 1.00 0.00 C ATOM 0 H LEU A 29 17.159 10.263 29.128 1.00 0.00 H new ATOM 0 HA LEU A 29 17.044 12.252 31.193 1.00 0.00 H new ATOM 0 HB2 LEU A 29 15.043 10.104 30.335 1.00 0.00 H new ATOM 0 HB3 LEU A 29 14.677 11.478 31.359 1.00 0.00 H new ATOM 0 HG LEU A 29 15.724 11.670 28.491 1.00 0.00 H new ATOM 0 HD11 LEU A 29 13.422 12.471 27.981 1.00 0.00 H new ATOM 0 HD12 LEU A 29 13.392 10.816 28.634 1.00 0.00 H new ATOM 0 HD13 LEU A 29 12.952 12.192 29.674 1.00 0.00 H new ATOM 0 HD21 LEU A 29 15.194 14.083 28.716 1.00 0.00 H new ATOM 0 HD22 LEU A 29 14.723 13.823 30.412 1.00 0.00 H new ATOM 0 HD23 LEU A 29 16.414 13.581 29.911 1.00 0.00 H new ATOM 381 N LYS A 30 17.909 9.390 32.102 1.00 0.00 N ATOM 382 CA LYS A 30 18.200 8.513 33.230 1.00 0.00 C ATOM 383 C LYS A 30 18.752 9.315 34.403 1.00 0.00 C ATOM 384 O LYS A 30 18.430 9.038 35.558 1.00 0.00 O ATOM 385 CB LYS A 30 19.223 7.447 32.829 1.00 0.00 C ATOM 386 CG LYS A 30 18.589 6.434 31.860 1.00 0.00 C ATOM 387 CD LYS A 30 17.768 5.387 32.630 1.00 0.00 C ATOM 388 CE LYS A 30 17.490 4.186 31.723 1.00 0.00 C ATOM 389 NZ LYS A 30 18.734 3.375 31.575 1.00 0.00 N ATOM 0 H LYS A 30 18.448 9.194 31.259 1.00 0.00 H new ATOM 0 HA LYS A 30 17.269 8.030 33.528 1.00 0.00 H new ATOM 0 HB2 LYS A 30 20.085 7.920 32.358 1.00 0.00 H new ATOM 0 HB3 LYS A 30 19.588 6.931 33.717 1.00 0.00 H new ATOM 0 HG2 LYS A 30 17.948 6.955 31.149 1.00 0.00 H new ATOM 0 HG3 LYS A 30 19.369 5.939 31.282 1.00 0.00 H new ATOM 0 HD2 LYS A 30 18.311 5.066 33.519 1.00 0.00 H new ATOM 0 HD3 LYS A 30 16.829 5.824 32.970 1.00 0.00 H new ATOM 0 HE2 LYS A 30 16.693 3.575 32.146 1.00 0.00 H new ATOM 0 HE3 LYS A 30 17.147 4.526 30.746 1.00 0.00 H new ATOM 0 HZ1 LYS A 30 18.487 2.415 31.262 1.00 0.00 H new ATOM 0 HZ2 LYS A 30 19.357 3.820 30.871 1.00 0.00 H new ATOM 0 HZ3 LYS A 30 19.226 3.325 32.490 1.00 0.00 H new ATOM 403 N LYS A 31 19.583 10.320 34.105 1.00 0.00 N ATOM 404 CA LYS A 31 20.173 11.164 35.150 1.00 0.00 C ATOM 405 C LYS A 31 20.038 12.640 34.784 1.00 0.00 C ATOM 406 O LYS A 31 20.720 13.494 35.348 1.00 0.00 O ATOM 407 CB LYS A 31 21.650 10.807 35.334 1.00 0.00 C ATOM 408 CG LYS A 31 22.394 10.992 34.010 1.00 0.00 C ATOM 409 CD LYS A 31 23.844 10.530 34.173 1.00 0.00 C ATOM 410 CE LYS A 31 24.584 10.688 32.843 1.00 0.00 C ATOM 411 NZ LYS A 31 25.991 10.222 32.999 1.00 0.00 N ATOM 0 H LYS A 31 19.861 10.568 33.155 1.00 0.00 H new ATOM 0 HA LYS A 31 19.640 10.986 36.084 1.00 0.00 H new ATOM 0 HB2 LYS A 31 22.094 11.439 36.103 1.00 0.00 H new ATOM 0 HB3 LYS A 31 21.745 9.776 35.675 1.00 0.00 H new ATOM 0 HG2 LYS A 31 21.905 10.419 33.222 1.00 0.00 H new ATOM 0 HG3 LYS A 31 22.366 12.039 33.708 1.00 0.00 H new ATOM 0 HD2 LYS A 31 24.338 11.116 34.948 1.00 0.00 H new ATOM 0 HD3 LYS A 31 23.871 9.489 34.495 1.00 0.00 H new ATOM 0 HE2 LYS A 31 24.083 10.112 32.065 1.00 0.00 H new ATOM 0 HE3 LYS A 31 24.568 11.731 32.527 1.00 0.00 H new ATOM 0 HZ1 LYS A 31 26.494 10.329 32.095 1.00 0.00 H new ATOM 0 HZ2 LYS A 31 26.466 10.790 33.729 1.00 0.00 H new ATOM 0 HZ3 LYS A 31 25.996 9.221 33.281 1.00 0.00 H new ATOM 425 N LYS A 32 19.144 12.927 33.841 1.00 0.00 N ATOM 426 CA LYS A 32 18.905 14.307 33.399 1.00 0.00 C ATOM 427 C LYS A 32 17.426 14.650 33.534 1.00 0.00 C ATOM 428 O LYS A 32 17.103 15.472 34.376 1.00 0.00 O ATOM 429 CB LYS A 32 19.328 14.476 31.938 1.00 0.00 C ATOM 430 CG LYS A 32 20.787 14.039 31.743 1.00 0.00 C ATOM 431 CD LYS A 32 21.734 14.989 32.486 1.00 0.00 C ATOM 432 CE LYS A 32 23.162 14.775 31.979 1.00 0.00 C ATOM 433 NZ LYS A 32 24.078 15.743 32.644 1.00 0.00 N ATOM 0 H LYS A 32 18.572 12.228 33.367 1.00 0.00 H new ATOM 0 HA LYS A 32 19.494 14.977 34.026 1.00 0.00 H new ATOM 0 HB2 LYS A 32 18.677 13.885 31.295 1.00 0.00 H new ATOM 0 HB3 LYS A 32 19.212 15.518 31.638 1.00 0.00 H new ATOM 0 HG2 LYS A 32 20.921 13.021 32.110 1.00 0.00 H new ATOM 0 HG3 LYS A 32 21.031 14.029 30.681 1.00 0.00 H new ATOM 0 HD2 LYS A 32 21.430 16.023 32.326 1.00 0.00 H new ATOM 0 HD3 LYS A 32 21.685 14.805 33.559 1.00 0.00 H new ATOM 0 HE2 LYS A 32 23.483 13.754 32.186 1.00 0.00 H new ATOM 0 HE3 LYS A 32 23.199 14.908 30.898 1.00 0.00 H new ATOM 0 HZ1 LYS A 32 25.048 15.597 32.299 1.00 0.00 H new ATOM 0 HZ2 LYS A 32 23.775 16.714 32.425 1.00 0.00 H new ATOM 0 HZ3 LYS A 32 24.051 15.596 33.673 1.00 0.00 H new TER 447 LYS A 32 ATOM 448 N LYS B 5 -6.962 -1.257 5.127 1.00 0.00 N ATOM 449 CA LYS B 5 -5.500 -1.498 4.981 1.00 0.00 C ATOM 450 C LYS B 5 -4.841 -1.407 6.353 1.00 0.00 C ATOM 451 O LYS B 5 -3.747 -0.862 6.494 1.00 0.00 O ATOM 452 CB LYS B 5 -4.900 -0.442 4.046 1.00 0.00 C ATOM 453 CG LYS B 5 -5.635 -0.438 2.697 1.00 0.00 C ATOM 454 CD LYS B 5 -5.415 -1.765 1.959 1.00 0.00 C ATOM 455 CE LYS B 5 -5.828 -1.606 0.495 1.00 0.00 C ATOM 456 NZ LYS B 5 -5.589 -2.886 -0.231 1.00 0.00 N ATOM 0 HA LYS B 5 -5.328 -2.488 4.559 1.00 0.00 H new ATOM 0 HB2 LYS B 5 -4.970 0.543 4.508 1.00 0.00 H new ATOM 0 HB3 LYS B 5 -3.841 -0.646 3.889 1.00 0.00 H new ATOM 0 HG2 LYS B 5 -6.701 -0.277 2.858 1.00 0.00 H new ATOM 0 HG3 LYS B 5 -5.277 0.389 2.084 1.00 0.00 H new ATOM 0 HD2 LYS B 5 -4.368 -2.060 2.023 1.00 0.00 H new ATOM 0 HD3 LYS B 5 -5.999 -2.557 2.429 1.00 0.00 H new ATOM 0 HE2 LYS B 5 -6.881 -1.330 0.431 1.00 0.00 H new ATOM 0 HE3 LYS B 5 -5.259 -0.801 0.031 1.00 0.00 H new ATOM 0 HZ1 LYS B 5 -5.870 -2.778 -1.227 1.00 0.00 H new ATOM 0 HZ2 LYS B 5 -4.579 -3.130 -0.181 1.00 0.00 H new ATOM 0 HZ3 LYS B 5 -6.151 -3.644 0.207 1.00 0.00 H new ATOM 469 N GLY B 6 -5.516 -1.946 7.363 1.00 0.00 N ATOM 470 CA GLY B 6 -4.989 -1.923 8.723 1.00 0.00 C ATOM 471 C GLY B 6 -3.703 -2.732 8.821 1.00 0.00 C ATOM 472 O GLY B 6 -2.799 -2.392 9.582 1.00 0.00 O ATOM 0 H GLY B 6 -6.424 -2.401 7.267 1.00 0.00 H new ATOM 0 HA2 GLY B 6 -4.800 -0.893 9.027 1.00 0.00 H new ATOM 0 HA3 GLY B 6 -5.731 -2.327 9.412 1.00 0.00 H new ATOM 476 N ALA B 7 -3.628 -3.805 8.047 1.00 0.00 N ATOM 477 CA ALA B 7 -2.447 -4.655 8.055 1.00 0.00 C ATOM 478 C ALA B 7 -1.221 -3.869 7.601 1.00 0.00 C ATOM 479 O ALA B 7 -0.100 -4.161 8.018 1.00 0.00 O ATOM 480 CB ALA B 7 -2.662 -5.856 7.133 1.00 0.00 C ATOM 0 H ALA B 7 -4.365 -4.106 7.410 1.00 0.00 H new ATOM 0 HA ALA B 7 -2.280 -5.008 9.073 1.00 0.00 H new ATOM 0 HB1 ALA B 7 -1.773 -6.487 7.145 1.00 0.00 H new ATOM 0 HB2 ALA B 7 -3.521 -6.431 7.479 1.00 0.00 H new ATOM 0 HB3 ALA B 7 -2.845 -5.506 6.117 1.00 0.00 H new ATOM 486 N ILE B 8 -1.433 -2.876 6.740 1.00 0.00 N ATOM 487 CA ILE B 8 -0.323 -2.069 6.243 1.00 0.00 C ATOM 488 C ILE B 8 0.230 -1.169 7.349 1.00 0.00 C ATOM 489 O ILE B 8 1.423 -1.208 7.649 1.00 0.00 O ATOM 490 CB ILE B 8 -0.788 -1.216 5.054 1.00 0.00 C ATOM 491 CG1 ILE B 8 -1.025 -2.119 3.836 1.00 0.00 C ATOM 492 CG2 ILE B 8 0.283 -0.175 4.702 1.00 0.00 C ATOM 493 CD1 ILE B 8 -2.164 -3.107 4.117 1.00 0.00 C ATOM 0 H ILE B 8 -2.349 -2.614 6.377 1.00 0.00 H new ATOM 0 HA ILE B 8 0.472 -2.739 5.915 1.00 0.00 H new ATOM 0 HB ILE B 8 -1.713 -0.707 5.326 1.00 0.00 H new ATOM 0 HG12 ILE B 8 -1.270 -1.510 2.966 1.00 0.00 H new ATOM 0 HG13 ILE B 8 -0.112 -2.665 3.597 1.00 0.00 H new ATOM 0 HG21 ILE B 8 -0.056 0.425 3.858 1.00 0.00 H new ATOM 0 HG22 ILE B 8 0.457 0.473 5.561 1.00 0.00 H new ATOM 0 HG23 ILE B 8 1.211 -0.683 4.437 1.00 0.00 H new ATOM 0 HD11 ILE B 8 -2.320 -3.740 3.244 1.00 0.00 H new ATOM 0 HD12 ILE B 8 -1.904 -3.728 4.974 1.00 0.00 H new ATOM 0 HD13 ILE B 8 -3.079 -2.556 4.333 1.00 0.00 H new ATOM 505 N ILE B 9 -0.638 -0.354 7.949 1.00 0.00 N ATOM 506 CA ILE B 9 -0.203 0.545 9.008 1.00 0.00 C ATOM 507 C ILE B 9 0.167 -0.250 10.258 1.00 0.00 C ATOM 508 O ILE B 9 1.171 0.030 10.908 1.00 0.00 O ATOM 509 CB ILE B 9 -1.308 1.566 9.325 1.00 0.00 C ATOM 510 CG1 ILE B 9 -0.737 2.723 10.175 1.00 0.00 C ATOM 511 CG2 ILE B 9 -2.438 0.875 10.090 1.00 0.00 C ATOM 512 CD1 ILE B 9 -0.083 3.778 9.271 1.00 0.00 C ATOM 0 H ILE B 9 -1.631 -0.300 7.722 1.00 0.00 H new ATOM 0 HA ILE B 9 0.681 1.086 8.669 1.00 0.00 H new ATOM 0 HB ILE B 9 -1.695 1.972 8.390 1.00 0.00 H new ATOM 0 HG12 ILE B 9 -1.534 3.180 10.761 1.00 0.00 H new ATOM 0 HG13 ILE B 9 -0.004 2.336 10.882 1.00 0.00 H new ATOM 0 HG21 ILE B 9 -3.221 1.599 10.315 1.00 0.00 H new ATOM 0 HG22 ILE B 9 -2.851 0.071 9.481 1.00 0.00 H new ATOM 0 HG23 ILE B 9 -2.048 0.462 11.020 1.00 0.00 H new ATOM 0 HD11 ILE B 9 0.315 4.587 9.884 1.00 0.00 H new ATOM 0 HD12 ILE B 9 0.728 3.320 8.705 1.00 0.00 H new ATOM 0 HD13 ILE B 9 -0.827 4.178 8.581 1.00 0.00 H new ATOM 524 N GLY B 10 -0.655 -1.248 10.578 1.00 0.00 N ATOM 525 CA GLY B 10 -0.416 -2.096 11.751 1.00 0.00 C ATOM 526 C GLY B 10 1.079 -2.338 11.949 1.00 0.00 C ATOM 527 O GLY B 10 1.641 -2.018 12.994 1.00 0.00 O ATOM 0 H GLY B 10 -1.490 -1.491 10.045 1.00 0.00 H new ATOM 0 HA2 GLY B 10 -0.833 -1.622 12.639 1.00 0.00 H new ATOM 0 HA3 GLY B 10 -0.930 -3.049 11.627 1.00 0.00 H new ATOM 531 N LEU B 11 1.709 -2.908 10.930 1.00 0.00 N ATOM 532 CA LEU B 11 3.135 -3.194 10.982 1.00 0.00 C ATOM 533 C LEU B 11 3.945 -1.901 11.057 1.00 0.00 C ATOM 534 O LEU B 11 5.041 -1.888 11.598 1.00 0.00 O ATOM 535 CB LEU B 11 3.557 -4.019 9.754 1.00 0.00 C ATOM 536 CG LEU B 11 3.267 -5.511 9.992 1.00 0.00 C ATOM 537 CD1 LEU B 11 4.205 -6.083 11.082 1.00 0.00 C ATOM 538 CD2 LEU B 11 1.801 -5.680 10.419 1.00 0.00 C ATOM 0 H LEU B 11 1.255 -3.181 10.059 1.00 0.00 H new ATOM 0 HA LEU B 11 3.336 -3.775 11.882 1.00 0.00 H new ATOM 0 HB2 LEU B 11 3.019 -3.673 8.872 1.00 0.00 H new ATOM 0 HB3 LEU B 11 4.619 -3.874 9.557 1.00 0.00 H new ATOM 0 HG LEU B 11 3.446 -6.059 9.067 1.00 0.00 H new ATOM 0 HD11 LEU B 11 3.983 -7.139 11.235 1.00 0.00 H new ATOM 0 HD12 LEU B 11 5.242 -5.972 10.765 1.00 0.00 H new ATOM 0 HD13 LEU B 11 4.051 -5.541 12.015 1.00 0.00 H new ATOM 0 HD21 LEU B 11 1.591 -6.736 10.589 1.00 0.00 H new ATOM 0 HD22 LEU B 11 1.623 -5.122 11.338 1.00 0.00 H new ATOM 0 HD23 LEU B 11 1.147 -5.302 9.633 1.00 0.00 H new ATOM 550 N MET B 12 3.418 -0.826 10.499 1.00 0.00 N ATOM 551 CA MET B 12 4.113 0.444 10.515 1.00 0.00 C ATOM 552 C MET B 12 4.236 0.989 11.935 1.00 0.00 C ATOM 553 O MET B 12 5.339 1.151 12.459 1.00 0.00 O ATOM 554 CB MET B 12 3.315 1.416 9.645 1.00 0.00 C ATOM 555 CG MET B 12 4.187 2.558 9.153 1.00 0.00 C ATOM 556 SD MET B 12 4.427 3.772 10.480 1.00 0.00 S ATOM 557 CE MET B 12 6.222 3.600 10.672 1.00 0.00 C ATOM 0 H MET B 12 2.512 -0.809 10.030 1.00 0.00 H new ATOM 0 HA MET B 12 5.125 0.317 10.130 1.00 0.00 H new ATOM 0 HB2 MET B 12 2.894 0.883 8.792 1.00 0.00 H new ATOM 0 HB3 MET B 12 2.477 1.815 10.216 1.00 0.00 H new ATOM 0 HG2 MET B 12 5.152 2.173 8.822 1.00 0.00 H new ATOM 0 HG3 MET B 12 3.722 3.036 8.291 1.00 0.00 H new ATOM 0 HE1 MET B 12 6.538 4.090 11.593 1.00 0.00 H new ATOM 0 HE2 MET B 12 6.484 2.543 10.716 1.00 0.00 H new ATOM 0 HE3 MET B 12 6.725 4.063 9.823 1.00 0.00 H new ATOM 567 N VAL B 13 3.095 1.284 12.537 1.00 0.00 N ATOM 568 CA VAL B 13 3.056 1.830 13.886 1.00 0.00 C ATOM 569 C VAL B 13 3.537 0.818 14.923 1.00 0.00 C ATOM 570 O VAL B 13 3.930 1.201 16.027 1.00 0.00 O ATOM 571 CB VAL B 13 1.644 2.317 14.208 1.00 0.00 C ATOM 572 CG1 VAL B 13 1.320 3.509 13.301 1.00 0.00 C ATOM 573 CG2 VAL B 13 0.633 1.195 13.957 1.00 0.00 C ATOM 0 H VAL B 13 2.178 1.154 12.110 1.00 0.00 H new ATOM 0 HA VAL B 13 3.741 2.676 13.929 1.00 0.00 H new ATOM 0 HB VAL B 13 1.587 2.614 15.255 1.00 0.00 H new ATOM 0 HG11 VAL B 13 0.314 3.869 13.518 1.00 0.00 H new ATOM 0 HG12 VAL B 13 2.038 4.309 13.481 1.00 0.00 H new ATOM 0 HG13 VAL B 13 1.376 3.198 12.258 1.00 0.00 H new ATOM 0 HG21 VAL B 13 -0.371 1.551 14.189 1.00 0.00 H new ATOM 0 HG22 VAL B 13 0.678 0.892 12.911 1.00 0.00 H new ATOM 0 HG23 VAL B 13 0.871 0.342 14.592 1.00 0.00 H new ATOM 583 N GLY B 14 3.522 -0.465 14.576 1.00 0.00 N ATOM 584 CA GLY B 14 3.986 -1.500 15.501 1.00 0.00 C ATOM 585 C GLY B 14 5.494 -1.728 15.356 1.00 0.00 C ATOM 586 O GLY B 14 6.202 -1.899 16.347 1.00 0.00 O ATOM 0 H GLY B 14 3.198 -0.813 13.673 1.00 0.00 H new ATOM 0 HA2 GLY B 14 3.755 -1.207 16.525 1.00 0.00 H new ATOM 0 HA3 GLY B 14 3.453 -2.431 15.308 1.00 0.00 H new ATOM 590 N GLY B 15 5.972 -1.734 14.113 1.00 0.00 N ATOM 591 CA GLY B 15 7.390 -1.956 13.854 1.00 0.00 C ATOM 592 C GLY B 15 8.223 -0.983 14.669 1.00 0.00 C ATOM 593 O GLY B 15 9.177 -1.369 15.343 1.00 0.00 O ATOM 0 H GLY B 15 5.404 -1.589 13.278 1.00 0.00 H new ATOM 0 HA2 GLY B 15 7.659 -2.981 14.109 1.00 0.00 H new ATOM 0 HA3 GLY B 15 7.599 -1.827 12.792 1.00 0.00 H new ATOM 597 N VAL B 16 7.857 0.286 14.583 1.00 0.00 N ATOM 598 CA VAL B 16 8.583 1.322 15.295 1.00 0.00 C ATOM 599 C VAL B 16 8.874 0.887 16.727 1.00 0.00 C ATOM 600 O VAL B 16 10.013 0.962 17.177 1.00 0.00 O ATOM 601 CB VAL B 16 7.793 2.638 15.288 1.00 0.00 C ATOM 602 CG1 VAL B 16 7.883 3.291 13.904 1.00 0.00 C ATOM 603 CG2 VAL B 16 6.325 2.363 15.609 1.00 0.00 C ATOM 0 H VAL B 16 7.067 0.621 14.031 1.00 0.00 H new ATOM 0 HA VAL B 16 9.532 1.485 14.784 1.00 0.00 H new ATOM 0 HB VAL B 16 8.216 3.305 16.039 1.00 0.00 H new ATOM 0 HG11 VAL B 16 7.320 4.225 13.905 1.00 0.00 H new ATOM 0 HG12 VAL B 16 8.927 3.496 13.666 1.00 0.00 H new ATOM 0 HG13 VAL B 16 7.466 2.617 13.156 1.00 0.00 H new ATOM 0 HG21 VAL B 16 5.769 3.301 15.603 1.00 0.00 H new ATOM 0 HG22 VAL B 16 5.909 1.689 14.860 1.00 0.00 H new ATOM 0 HG23 VAL B 16 6.248 1.902 16.594 1.00 0.00 H new ATOM 613 N VAL B 17 7.856 0.437 17.435 1.00 0.00 N ATOM 614 CA VAL B 17 8.042 0.011 18.815 1.00 0.00 C ATOM 615 C VAL B 17 9.087 -1.098 18.901 1.00 0.00 C ATOM 616 O VAL B 17 9.955 -1.079 19.770 1.00 0.00 O ATOM 617 CB VAL B 17 6.722 -0.510 19.378 1.00 0.00 C ATOM 618 CG1 VAL B 17 6.948 -1.023 20.801 1.00 0.00 C ATOM 619 CG2 VAL B 17 5.681 0.616 19.394 1.00 0.00 C ATOM 0 H VAL B 17 6.901 0.356 17.086 1.00 0.00 H new ATOM 0 HA VAL B 17 8.383 0.870 19.394 1.00 0.00 H new ATOM 0 HB VAL B 17 6.356 -1.322 18.750 1.00 0.00 H new ATOM 0 HG11 VAL B 17 6.008 -1.396 21.207 1.00 0.00 H new ATOM 0 HG12 VAL B 17 7.682 -1.829 20.785 1.00 0.00 H new ATOM 0 HG13 VAL B 17 7.316 -0.210 21.427 1.00 0.00 H new ATOM 0 HG21 VAL B 17 4.742 0.237 19.797 1.00 0.00 H new ATOM 0 HG22 VAL B 17 6.040 1.434 20.018 1.00 0.00 H new ATOM 0 HG23 VAL B 17 5.521 0.978 18.378 1.00 0.00 H new ATOM 629 N ILE B 18 8.999 -2.055 17.990 1.00 0.00 N ATOM 630 CA ILE B 18 9.958 -3.160 17.987 1.00 0.00 C ATOM 631 C ILE B 18 11.366 -2.606 17.780 1.00 0.00 C ATOM 632 O ILE B 18 12.295 -2.936 18.511 1.00 0.00 O ATOM 633 CB ILE B 18 9.630 -4.160 16.872 1.00 0.00 C ATOM 634 CG1 ILE B 18 8.166 -4.614 16.984 1.00 0.00 C ATOM 635 CG2 ILE B 18 10.550 -5.376 16.989 1.00 0.00 C ATOM 636 CD1 ILE B 18 7.865 -5.125 18.399 1.00 0.00 C ATOM 0 H ILE B 18 8.292 -2.095 17.256 1.00 0.00 H new ATOM 0 HA ILE B 18 9.900 -3.678 18.944 1.00 0.00 H new ATOM 0 HB ILE B 18 9.781 -3.677 15.906 1.00 0.00 H new ATOM 0 HG12 ILE B 18 7.503 -3.783 16.743 1.00 0.00 H new ATOM 0 HG13 ILE B 18 7.967 -5.402 16.257 1.00 0.00 H new ATOM 0 HG21 ILE B 18 10.316 -6.087 16.196 1.00 0.00 H new ATOM 0 HG22 ILE B 18 11.588 -5.057 16.896 1.00 0.00 H new ATOM 0 HG23 ILE B 18 10.402 -5.852 17.958 1.00 0.00 H new ATOM 0 HD11 ILE B 18 6.824 -5.442 18.458 1.00 0.00 H new ATOM 0 HD12 ILE B 18 8.515 -5.970 18.626 1.00 0.00 H new ATOM 0 HD13 ILE B 18 8.043 -4.327 19.120 1.00 0.00 H new ATOM 648 N ALA B 19 11.509 -1.770 16.768 1.00 0.00 N ATOM 649 CA ALA B 19 12.808 -1.181 16.457 1.00 0.00 C ATOM 650 C ALA B 19 13.379 -0.441 17.671 1.00 0.00 C ATOM 651 O ALA B 19 14.583 -0.472 17.917 1.00 0.00 O ATOM 652 CB ALA B 19 12.671 -0.218 15.284 1.00 0.00 C ATOM 0 H ALA B 19 10.751 -1.482 16.149 1.00 0.00 H new ATOM 0 HA ALA B 19 13.494 -1.985 16.191 1.00 0.00 H new ATOM 0 HB1 ALA B 19 13.643 0.219 15.056 1.00 0.00 H new ATOM 0 HB2 ALA B 19 12.302 -0.757 14.412 1.00 0.00 H new ATOM 0 HB3 ALA B 19 11.969 0.575 15.544 1.00 0.00 H new ATOM 658 N THR B 20 12.505 0.211 18.431 1.00 0.00 N ATOM 659 CA THR B 20 12.924 0.950 19.622 1.00 0.00 C ATOM 660 C THR B 20 13.310 0.002 20.741 1.00 0.00 C ATOM 661 O THR B 20 13.999 0.394 21.683 1.00 0.00 O ATOM 662 CB THR B 20 11.777 1.834 20.133 1.00 0.00 C ATOM 663 OG1 THR B 20 10.771 0.999 20.689 1.00 0.00 O ATOM 664 CG2 THR B 20 11.151 2.670 19.001 1.00 0.00 C ATOM 0 H THR B 20 11.503 0.244 18.246 1.00 0.00 H new ATOM 0 HA THR B 20 13.782 1.561 19.340 1.00 0.00 H new ATOM 0 HB THR B 20 12.182 2.518 20.879 1.00 0.00 H new ATOM 0 HG1 THR B 20 10.778 0.131 20.234 1.00 0.00 H new ATOM 0 HG21 THR B 20 10.344 3.281 19.404 1.00 0.00 H new ATOM 0 HG22 THR B 20 11.911 3.316 18.563 1.00 0.00 H new ATOM 0 HG23 THR B 20 10.754 2.005 18.234 1.00 0.00 H new ATOM 672 N MET B 21 12.873 -1.244 20.646 1.00 0.00 N ATOM 673 CA MET B 21 13.207 -2.218 21.671 1.00 0.00 C ATOM 674 C MET B 21 14.594 -2.793 21.418 1.00 0.00 C ATOM 675 O MET B 21 15.308 -3.130 22.362 1.00 0.00 O ATOM 676 CB MET B 21 12.164 -3.339 21.705 1.00 0.00 C ATOM 677 CG MET B 21 10.874 -2.838 22.376 1.00 0.00 C ATOM 678 SD MET B 21 11.181 -2.428 24.121 1.00 0.00 S ATOM 679 CE MET B 21 10.951 -0.631 24.009 1.00 0.00 C ATOM 0 H MET B 21 12.296 -1.600 19.884 1.00 0.00 H new ATOM 0 HA MET B 21 13.207 -1.717 22.639 1.00 0.00 H new ATOM 0 HB2 MET B 21 11.949 -3.677 20.691 1.00 0.00 H new ATOM 0 HB3 MET B 21 12.558 -4.197 22.250 1.00 0.00 H new ATOM 0 HG2 MET B 21 10.501 -1.959 21.850 1.00 0.00 H new ATOM 0 HG3 MET B 21 10.100 -3.603 22.307 1.00 0.00 H new ATOM 0 HE1 MET B 21 11.383 -0.153 24.888 1.00 0.00 H new ATOM 0 HE2 MET B 21 11.445 -0.256 23.113 1.00 0.00 H new ATOM 0 HE3 MET B 21 9.886 -0.403 23.959 1.00 0.00 H new ATOM 689 N ILE B 22 14.981 -2.915 20.147 1.00 0.00 N ATOM 690 CA ILE B 22 16.291 -3.460 19.820 1.00 0.00 C ATOM 691 C ILE B 22 17.400 -2.562 20.365 1.00 0.00 C ATOM 692 O ILE B 22 18.358 -3.048 20.964 1.00 0.00 O ATOM 693 CB ILE B 22 16.427 -3.578 18.296 1.00 0.00 C ATOM 694 CG1 ILE B 22 15.448 -4.637 17.769 1.00 0.00 C ATOM 695 CG2 ILE B 22 17.858 -3.989 17.931 1.00 0.00 C ATOM 696 CD1 ILE B 22 15.381 -4.564 16.240 1.00 0.00 C ATOM 0 H ILE B 22 14.414 -2.648 19.342 1.00 0.00 H new ATOM 0 HA ILE B 22 16.386 -4.445 20.278 1.00 0.00 H new ATOM 0 HB ILE B 22 16.200 -2.612 17.845 1.00 0.00 H new ATOM 0 HG12 ILE B 22 15.769 -5.631 18.081 1.00 0.00 H new ATOM 0 HG13 ILE B 22 14.458 -4.474 18.194 1.00 0.00 H new ATOM 0 HG21 ILE B 22 17.948 -4.071 16.848 1.00 0.00 H new ATOM 0 HG22 ILE B 22 18.557 -3.237 18.297 1.00 0.00 H new ATOM 0 HG23 ILE B 22 18.088 -4.951 18.388 1.00 0.00 H new ATOM 0 HD11 ILE B 22 14.685 -5.317 15.870 1.00 0.00 H new ATOM 0 HD12 ILE B 22 15.039 -3.574 15.938 1.00 0.00 H new ATOM 0 HD13 ILE B 22 16.371 -4.749 15.823 1.00 0.00 H new ATOM 708 N VAL B 23 17.278 -1.253 20.145 1.00 0.00 N ATOM 709 CA VAL B 23 18.301 -0.312 20.616 1.00 0.00 C ATOM 710 C VAL B 23 18.388 -0.331 22.131 1.00 0.00 C ATOM 711 O VAL B 23 19.464 -0.217 22.710 1.00 0.00 O ATOM 712 CB VAL B 23 17.987 1.115 20.150 1.00 0.00 C ATOM 713 CG1 VAL B 23 18.022 1.187 18.611 1.00 0.00 C ATOM 714 CG2 VAL B 23 16.607 1.536 20.668 1.00 0.00 C ATOM 0 H VAL B 23 16.496 -0.823 19.652 1.00 0.00 H new ATOM 0 HA VAL B 23 19.256 -0.625 20.194 1.00 0.00 H new ATOM 0 HB VAL B 23 18.739 1.796 20.549 1.00 0.00 H new ATOM 0 HG11 VAL B 23 17.798 2.204 18.289 1.00 0.00 H new ATOM 0 HG12 VAL B 23 19.013 0.904 18.256 1.00 0.00 H new ATOM 0 HG13 VAL B 23 17.280 0.504 18.198 1.00 0.00 H new ATOM 0 HG21 VAL B 23 16.387 2.550 20.335 1.00 0.00 H new ATOM 0 HG22 VAL B 23 15.850 0.855 20.280 1.00 0.00 H new ATOM 0 HG23 VAL B 23 16.602 1.503 21.757 1.00 0.00 H new ATOM 724 N ILE B 24 17.248 -0.493 22.767 1.00 0.00 N ATOM 725 CA ILE B 24 17.203 -0.544 24.224 1.00 0.00 C ATOM 726 C ILE B 24 18.352 -1.431 24.746 1.00 0.00 C ATOM 727 O ILE B 24 18.779 -1.308 25.895 1.00 0.00 O ATOM 728 CB ILE B 24 15.800 -1.076 24.662 1.00 0.00 C ATOM 729 CG1 ILE B 24 15.094 -0.050 25.571 1.00 0.00 C ATOM 730 CG2 ILE B 24 15.900 -2.417 25.410 1.00 0.00 C ATOM 731 CD1 ILE B 24 14.881 1.278 24.815 1.00 0.00 C ATOM 0 H ILE B 24 16.342 -0.592 22.308 1.00 0.00 H new ATOM 0 HA ILE B 24 17.340 0.449 24.653 1.00 0.00 H new ATOM 0 HB ILE B 24 15.222 -1.230 23.751 1.00 0.00 H new ATOM 0 HG12 ILE B 24 14.134 -0.446 25.901 1.00 0.00 H new ATOM 0 HG13 ILE B 24 15.691 0.125 26.466 1.00 0.00 H new ATOM 0 HG21 ILE B 24 14.902 -2.750 25.696 1.00 0.00 H new ATOM 0 HG22 ILE B 24 16.359 -3.163 24.761 1.00 0.00 H new ATOM 0 HG23 ILE B 24 16.510 -2.290 26.304 1.00 0.00 H new ATOM 0 HD11 ILE B 24 14.382 1.993 25.469 1.00 0.00 H new ATOM 0 HD12 ILE B 24 15.846 1.680 24.507 1.00 0.00 H new ATOM 0 HD13 ILE B 24 14.265 1.100 23.934 1.00 0.00 H new ATOM 743 N THR B 25 18.843 -2.310 23.871 1.00 0.00 N ATOM 744 CA THR B 25 19.948 -3.213 24.224 1.00 0.00 C ATOM 745 C THR B 25 21.294 -2.490 24.096 1.00 0.00 C ATOM 746 O THR B 25 22.165 -2.626 24.952 1.00 0.00 O ATOM 747 CB THR B 25 19.906 -4.487 23.342 1.00 0.00 C ATOM 748 OG1 THR B 25 20.384 -5.593 24.092 1.00 0.00 O ATOM 749 CG2 THR B 25 20.770 -4.341 22.080 1.00 0.00 C ATOM 0 H THR B 25 18.498 -2.418 22.917 1.00 0.00 H new ATOM 0 HA THR B 25 19.833 -3.520 25.263 1.00 0.00 H new ATOM 0 HB THR B 25 18.872 -4.641 23.034 1.00 0.00 H new ATOM 0 HG1 THR B 25 20.357 -6.401 23.537 1.00 0.00 H new ATOM 0 HG21 THR B 25 20.712 -5.256 21.491 1.00 0.00 H new ATOM 0 HG22 THR B 25 20.407 -3.503 21.485 1.00 0.00 H new ATOM 0 HG23 THR B 25 21.806 -4.160 22.367 1.00 0.00 H new ATOM 757 N LEU B 26 21.452 -1.719 23.027 1.00 0.00 N ATOM 758 CA LEU B 26 22.682 -0.969 22.778 1.00 0.00 C ATOM 759 C LEU B 26 23.118 -0.219 24.040 1.00 0.00 C ATOM 760 O LEU B 26 24.303 -0.086 24.336 1.00 0.00 O ATOM 761 CB LEU B 26 22.377 -0.013 21.605 1.00 0.00 C ATOM 762 CG LEU B 26 23.458 1.057 21.380 1.00 0.00 C ATOM 763 CD1 LEU B 26 23.386 2.170 22.450 1.00 0.00 C ATOM 764 CD2 LEU B 26 24.858 0.415 21.334 1.00 0.00 C ATOM 0 H LEU B 26 20.737 -1.595 22.310 1.00 0.00 H new ATOM 0 HA LEU B 26 23.513 -1.626 22.520 1.00 0.00 H new ATOM 0 HB2 LEU B 26 22.262 -0.598 20.692 1.00 0.00 H new ATOM 0 HB3 LEU B 26 21.423 0.481 21.789 1.00 0.00 H new ATOM 0 HG LEU B 26 23.268 1.526 20.414 1.00 0.00 H new ATOM 0 HD11 LEU B 26 24.165 2.909 22.260 1.00 0.00 H new ATOM 0 HD12 LEU B 26 22.410 2.653 22.408 1.00 0.00 H new ATOM 0 HD13 LEU B 26 23.533 1.735 23.438 1.00 0.00 H new ATOM 0 HD21 LEU B 26 25.608 1.189 21.174 1.00 0.00 H new ATOM 0 HD22 LEU B 26 25.056 -0.093 22.278 1.00 0.00 H new ATOM 0 HD23 LEU B 26 24.901 -0.306 20.518 1.00 0.00 H new ATOM 776 N VAL B 27 22.140 0.222 24.811 1.00 0.00 N ATOM 777 CA VAL B 27 22.414 0.919 26.067 1.00 0.00 C ATOM 778 C VAL B 27 23.071 -0.052 27.047 1.00 0.00 C ATOM 779 O VAL B 27 24.024 0.287 27.746 1.00 0.00 O ATOM 780 CB VAL B 27 21.111 1.447 26.655 1.00 0.00 C ATOM 781 CG1 VAL B 27 21.396 2.232 27.942 1.00 0.00 C ATOM 782 CG2 VAL B 27 20.432 2.345 25.628 1.00 0.00 C ATOM 0 H VAL B 27 21.149 0.113 24.595 1.00 0.00 H new ATOM 0 HA VAL B 27 23.085 1.758 25.883 1.00 0.00 H new ATOM 0 HB VAL B 27 20.453 0.613 26.899 1.00 0.00 H new ATOM 0 HG11 VAL B 27 20.459 2.606 28.355 1.00 0.00 H new ATOM 0 HG12 VAL B 27 21.878 1.577 28.668 1.00 0.00 H new ATOM 0 HG13 VAL B 27 22.054 3.072 27.718 1.00 0.00 H new ATOM 0 HG21 VAL B 27 19.498 2.728 26.040 1.00 0.00 H new ATOM 0 HG22 VAL B 27 21.089 3.179 25.383 1.00 0.00 H new ATOM 0 HG23 VAL B 27 20.222 1.771 24.725 1.00 0.00 H new ATOM 792 N MET B 28 22.533 -1.266 27.075 1.00 0.00 N ATOM 793 CA MET B 28 23.047 -2.318 27.951 1.00 0.00 C ATOM 794 C MET B 28 24.458 -2.718 27.533 1.00 0.00 C ATOM 795 O MET B 28 25.287 -3.069 28.373 1.00 0.00 O ATOM 796 CB MET B 28 22.132 -3.548 27.919 1.00 0.00 C ATOM 797 CG MET B 28 20.792 -3.216 28.575 1.00 0.00 C ATOM 798 SD MET B 28 19.728 -4.679 28.540 1.00 0.00 S ATOM 799 CE MET B 28 18.205 -3.866 29.083 1.00 0.00 C ATOM 0 H MET B 28 21.739 -1.549 26.500 1.00 0.00 H new ATOM 0 HA MET B 28 23.073 -1.926 28.968 1.00 0.00 H new ATOM 0 HB2 MET B 28 21.973 -3.868 26.889 1.00 0.00 H new ATOM 0 HB3 MET B 28 22.607 -4.379 28.441 1.00 0.00 H new ATOM 0 HG2 MET B 28 20.949 -2.891 29.604 1.00 0.00 H new ATOM 0 HG3 MET B 28 20.312 -2.391 28.049 1.00 0.00 H new ATOM 0 HE1 MET B 28 17.399 -4.599 29.133 1.00 0.00 H new ATOM 0 HE2 MET B 28 18.358 -3.427 30.069 1.00 0.00 H new ATOM 0 HE3 MET B 28 17.939 -3.082 28.374 1.00 0.00 H new ATOM 809 N LEU B 29 24.726 -2.670 26.231 1.00 0.00 N ATOM 810 CA LEU B 29 26.043 -3.037 25.722 1.00 0.00 C ATOM 811 C LEU B 29 27.060 -1.948 26.049 1.00 0.00 C ATOM 812 O LEU B 29 28.236 -2.060 25.700 1.00 0.00 O ATOM 813 CB LEU B 29 25.984 -3.238 24.204 1.00 0.00 C ATOM 814 CG LEU B 29 24.968 -4.334 23.850 1.00 0.00 C ATOM 815 CD1 LEU B 29 24.885 -4.473 22.324 1.00 0.00 C ATOM 816 CD2 LEU B 29 25.402 -5.679 24.466 1.00 0.00 C ATOM 0 H LEU B 29 24.057 -2.384 25.516 1.00 0.00 H new ATOM 0 HA LEU B 29 26.349 -3.968 26.199 1.00 0.00 H new ATOM 0 HB2 LEU B 29 25.705 -2.303 23.717 1.00 0.00 H new ATOM 0 HB3 LEU B 29 26.970 -3.512 23.828 1.00 0.00 H new ATOM 0 HG LEU B 29 23.992 -4.060 24.250 1.00 0.00 H new ATOM 0 HD11 LEU B 29 24.165 -5.250 22.068 1.00 0.00 H new ATOM 0 HD12 LEU B 29 24.566 -3.526 21.889 1.00 0.00 H new ATOM 0 HD13 LEU B 29 25.865 -4.742 21.929 1.00 0.00 H new ATOM 0 HD21 LEU B 29 24.674 -6.449 24.209 1.00 0.00 H new ATOM 0 HD22 LEU B 29 26.380 -5.959 24.075 1.00 0.00 H new ATOM 0 HD23 LEU B 29 25.459 -5.581 25.550 1.00 0.00 H new ATOM 828 N LYS B 30 26.606 -0.897 26.724 1.00 0.00 N ATOM 829 CA LYS B 30 27.495 0.198 27.094 1.00 0.00 C ATOM 830 C LYS B 30 28.602 -0.300 28.016 1.00 0.00 C ATOM 831 O LYS B 30 29.750 0.132 27.908 1.00 0.00 O ATOM 832 CB LYS B 30 26.713 1.306 27.804 1.00 0.00 C ATOM 833 CG LYS B 30 25.791 2.033 26.809 1.00 0.00 C ATOM 834 CD LYS B 30 26.582 3.077 26.002 1.00 0.00 C ATOM 835 CE LYS B 30 25.607 4.047 25.330 1.00 0.00 C ATOM 836 NZ LYS B 30 25.051 4.981 26.351 1.00 0.00 N ATOM 0 H LYS B 30 25.638 -0.781 27.023 1.00 0.00 H new ATOM 0 HA LYS B 30 27.937 0.595 26.180 1.00 0.00 H new ATOM 0 HB2 LYS B 30 26.121 0.880 28.614 1.00 0.00 H new ATOM 0 HB3 LYS B 30 27.405 2.017 28.255 1.00 0.00 H new ATOM 0 HG2 LYS B 30 25.336 1.310 26.132 1.00 0.00 H new ATOM 0 HG3 LYS B 30 24.978 2.521 27.347 1.00 0.00 H new ATOM 0 HD2 LYS B 30 27.260 3.622 26.658 1.00 0.00 H new ATOM 0 HD3 LYS B 30 27.196 2.582 25.250 1.00 0.00 H new ATOM 0 HE2 LYS B 30 26.118 4.609 24.548 1.00 0.00 H new ATOM 0 HE3 LYS B 30 24.800 3.494 24.850 1.00 0.00 H new ATOM 0 HZ1 LYS B 30 24.688 5.834 25.880 1.00 0.00 H new ATOM 0 HZ2 LYS B 30 24.277 4.513 26.864 1.00 0.00 H new ATOM 0 HZ3 LYS B 30 25.800 5.248 27.022 1.00 0.00 H new ATOM 850 N LYS B 31 28.257 -1.215 28.927 1.00 0.00 N ATOM 851 CA LYS B 31 29.240 -1.771 29.866 1.00 0.00 C ATOM 852 C LYS B 31 29.130 -3.292 29.916 1.00 0.00 C ATOM 853 O LYS B 31 29.626 -3.930 30.841 1.00 0.00 O ATOM 854 CB LYS B 31 29.011 -1.187 31.262 1.00 0.00 C ATOM 855 CG LYS B 31 27.587 -1.502 31.725 1.00 0.00 C ATOM 856 CD LYS B 31 27.328 -0.822 33.071 1.00 0.00 C ATOM 857 CE LYS B 31 25.895 -1.111 33.524 1.00 0.00 C ATOM 858 NZ LYS B 31 25.642 -0.438 34.829 1.00 0.00 N ATOM 0 H LYS B 31 27.313 -1.585 29.035 1.00 0.00 H new ATOM 0 HA LYS B 31 30.240 -1.505 29.523 1.00 0.00 H new ATOM 0 HB2 LYS B 31 29.733 -1.604 31.964 1.00 0.00 H new ATOM 0 HB3 LYS B 31 29.168 -0.109 31.246 1.00 0.00 H new ATOM 0 HG2 LYS B 31 26.867 -1.154 30.985 1.00 0.00 H new ATOM 0 HG3 LYS B 31 27.453 -2.580 31.818 1.00 0.00 H new ATOM 0 HD2 LYS B 31 28.036 -1.185 33.816 1.00 0.00 H new ATOM 0 HD3 LYS B 31 27.482 0.253 32.982 1.00 0.00 H new ATOM 0 HE2 LYS B 31 25.187 -0.755 32.776 1.00 0.00 H new ATOM 0 HE3 LYS B 31 25.743 -2.186 33.621 1.00 0.00 H new ATOM 0 HZ1 LYS B 31 24.668 -0.634 35.138 1.00 0.00 H new ATOM 0 HZ2 LYS B 31 26.310 -0.798 35.540 1.00 0.00 H new ATOM 0 HZ3 LYS B 31 25.771 0.588 34.721 1.00 0.00 H new ATOM 872 N LYS B 32 28.481 -3.864 28.903 1.00 0.00 N ATOM 873 CA LYS B 32 28.310 -5.319 28.821 1.00 0.00 C ATOM 874 C LYS B 32 28.843 -5.834 27.488 1.00 0.00 C ATOM 875 O LYS B 32 29.844 -6.529 27.501 1.00 0.00 O ATOM 876 CB LYS B 32 26.829 -5.686 28.945 1.00 0.00 C ATOM 877 CG LYS B 32 26.230 -5.093 30.228 1.00 0.00 C ATOM 878 CD LYS B 32 26.849 -5.756 31.463 1.00 0.00 C ATOM 879 CE LYS B 32 25.985 -5.445 32.688 1.00 0.00 C ATOM 880 NZ LYS B 32 26.540 -6.141 33.883 1.00 0.00 N ATOM 0 H LYS B 32 28.065 -3.347 28.129 1.00 0.00 H new ATOM 0 HA LYS B 32 28.866 -5.778 29.638 1.00 0.00 H new ATOM 0 HB2 LYS B 32 26.283 -5.315 28.077 1.00 0.00 H new ATOM 0 HB3 LYS B 32 26.717 -6.770 28.952 1.00 0.00 H new ATOM 0 HG2 LYS B 32 26.408 -4.018 30.257 1.00 0.00 H new ATOM 0 HG3 LYS B 32 25.150 -5.237 30.233 1.00 0.00 H new ATOM 0 HD2 LYS B 32 26.918 -6.834 31.316 1.00 0.00 H new ATOM 0 HD3 LYS B 32 27.864 -5.390 31.617 1.00 0.00 H new ATOM 0 HE2 LYS B 32 25.957 -4.369 32.862 1.00 0.00 H new ATOM 0 HE3 LYS B 32 24.958 -5.766 32.512 1.00 0.00 H new ATOM 0 HZ1 LYS B 32 25.951 -5.928 34.713 1.00 0.00 H new ATOM 0 HZ2 LYS B 32 26.545 -7.167 33.716 1.00 0.00 H new ATOM 0 HZ3 LYS B 32 27.512 -5.814 34.055 1.00 0.00 H new TER 894 LYS B 32