USER MOD reduce.3.24.130724 H: found=0, std=0, add=375, rem=0, adj=11 USER MOD reduce.3.24.130724 removed 376 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 11 THR OG1 : rot 4:sc= 0.177 USER MOD Single : A 12 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Single : A 13 LYS NZ :NH3+ 158:sc= -0.0814 (180deg=-0.58) USER MOD Single : A 18 LYS NZ :NH3+ 160:sc= -0.0669 (180deg=-0.584) USER MOD Single : A 20 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 22 SER OG : rot 90:sc= 0.85 USER MOD Single : A 23 THR OG1 : rot 180:sc= 0 USER MOD Single : A 25 THR OG1 : rot -13:sc= -2.26! USER MOD Single : A 27 SER OG : rot 180:sc= 0 USER MOD Single : A 31 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Single : A 32 ASN : amide:sc= 0 X(o=0,f=-0.096) USER MOD Single : A 35 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 37 SER OG : rot 180:sc= 0.0449 USER MOD Single : A 38 GLN : amide:sc= -0.109 K(o=-0.11,f=-1.8!) USER MOD Single : A 40 THR OG1 : rot 180:sc= 0.0243 USER MOD Single : A 42 ASN : amide:sc= -0.474 X(o=-0.47,f=0) USER MOD Single : A 46 LYS NZ :NH3+ 160:sc= -0.0274 (180deg=-0.327) USER MOD Single : A 53 TYR OH : rot 180:sc= 0 USER MOD ----------------------------------------------------------------- ATOM 1 N ALA A 9 5.912 -11.285 -14.305 1.00 0.00 N ATOM 2 CA ALA A 9 5.111 -12.525 -14.101 1.00 0.00 C ATOM 3 C ALA A 9 4.319 -12.407 -12.803 1.00 0.00 C ATOM 4 O ALA A 9 4.744 -12.900 -11.758 1.00 0.00 O ATOM 5 CB ALA A 9 6.050 -13.729 -14.030 1.00 0.00 C ATOM 0 HA ALA A 9 4.419 -12.658 -14.933 1.00 0.00 H new ATOM 0 HB1 ALA A 9 5.466 -14.637 -13.881 1.00 0.00 H new ATOM 0 HB2 ALA A 9 6.612 -13.808 -14.961 1.00 0.00 H new ATOM 0 HB3 ALA A 9 6.742 -13.602 -13.198 1.00 0.00 H new ATOM 11 N ALA A 10 3.161 -11.751 -12.877 1.00 0.00 N ATOM 12 CA ALA A 10 2.306 -11.570 -11.703 1.00 0.00 C ATOM 13 C ALA A 10 1.233 -12.653 -11.655 1.00 0.00 C ATOM 14 O ALA A 10 0.363 -12.720 -12.524 1.00 0.00 O ATOM 15 CB ALA A 10 1.639 -10.196 -11.752 1.00 0.00 C ATOM 0 H ALA A 10 2.794 -11.337 -13.734 1.00 0.00 H new ATOM 0 HA ALA A 10 2.925 -11.643 -10.809 1.00 0.00 H new ATOM 0 HB1 ALA A 10 1.004 -10.068 -10.875 1.00 0.00 H new ATOM 0 HB2 ALA A 10 2.404 -9.420 -11.762 1.00 0.00 H new ATOM 0 HB3 ALA A 10 1.032 -10.118 -12.654 1.00 0.00 H new ATOM 21 N THR A 11 1.302 -13.502 -10.635 1.00 0.00 N ATOM 22 CA THR A 11 0.332 -14.581 -10.486 1.00 0.00 C ATOM 23 C THR A 11 -1.068 -14.015 -10.264 1.00 0.00 C ATOM 24 O THR A 11 -1.227 -12.907 -9.752 1.00 0.00 O ATOM 25 CB THR A 11 0.721 -15.479 -9.302 1.00 0.00 C ATOM 26 OG1 THR A 11 1.112 -14.663 -8.206 1.00 0.00 O ATOM 27 CG2 THR A 11 1.887 -16.395 -9.696 1.00 0.00 C ATOM 0 H THR A 11 2.013 -13.465 -9.905 1.00 0.00 H new ATOM 0 HA THR A 11 0.331 -15.173 -11.402 1.00 0.00 H new ATOM 0 HB THR A 11 -0.134 -16.094 -9.021 1.00 0.00 H new ATOM 0 HG1 THR A 11 0.989 -13.719 -8.440 1.00 0.00 H new ATOM 0 HG21 THR A 11 2.155 -17.027 -8.850 1.00 0.00 H new ATOM 0 HG22 THR A 11 1.590 -17.021 -10.537 1.00 0.00 H new ATOM 0 HG23 THR A 11 2.746 -15.788 -9.982 1.00 0.00 H new ATOM 35 N MET A 12 -2.077 -14.787 -10.651 1.00 0.00 N ATOM 36 CA MET A 12 -3.461 -14.359 -10.487 1.00 0.00 C ATOM 37 C MET A 12 -3.714 -13.926 -9.049 1.00 0.00 C ATOM 38 O MET A 12 -4.614 -13.131 -8.779 1.00 0.00 O ATOM 39 CB MET A 12 -4.411 -15.502 -10.855 1.00 0.00 C ATOM 40 CG MET A 12 -5.837 -14.962 -10.974 1.00 0.00 C ATOM 41 SD MET A 12 -6.944 -16.294 -11.503 1.00 0.00 S ATOM 42 CE MET A 12 -8.461 -15.310 -11.581 1.00 0.00 C ATOM 0 H MET A 12 -1.964 -15.707 -11.078 1.00 0.00 H new ATOM 0 HA MET A 12 -3.643 -13.513 -11.149 1.00 0.00 H new ATOM 0 HB2 MET A 12 -4.103 -15.956 -11.797 1.00 0.00 H new ATOM 0 HB3 MET A 12 -4.369 -16.283 -10.096 1.00 0.00 H new ATOM 0 HG2 MET A 12 -6.166 -14.560 -10.016 1.00 0.00 H new ATOM 0 HG3 MET A 12 -5.868 -14.142 -11.692 1.00 0.00 H new ATOM 0 HE1 MET A 12 -9.290 -15.944 -11.894 1.00 0.00 H new ATOM 0 HE2 MET A 12 -8.675 -14.892 -10.597 1.00 0.00 H new ATOM 0 HE3 MET A 12 -8.333 -14.500 -12.299 1.00 0.00 H new ATOM 52 N LYS A 13 -2.914 -14.454 -8.131 1.00 0.00 N ATOM 53 CA LYS A 13 -3.056 -14.115 -6.722 1.00 0.00 C ATOM 54 C LYS A 13 -2.609 -12.680 -6.478 1.00 0.00 C ATOM 55 O LYS A 13 -3.267 -11.928 -5.757 1.00 0.00 O ATOM 56 CB LYS A 13 -2.222 -15.069 -5.865 1.00 0.00 C ATOM 57 CG LYS A 13 -2.909 -16.436 -5.794 1.00 0.00 C ATOM 58 CD LYS A 13 -1.987 -17.437 -5.095 1.00 0.00 C ATOM 59 CE LYS A 13 -2.627 -18.825 -5.125 1.00 0.00 C ATOM 60 NZ LYS A 13 -2.699 -19.311 -6.532 1.00 0.00 N ATOM 0 H LYS A 13 -2.164 -15.115 -8.336 1.00 0.00 H new ATOM 0 HA LYS A 13 -4.106 -14.211 -6.445 1.00 0.00 H new ATOM 0 HB2 LYS A 13 -1.223 -15.175 -6.289 1.00 0.00 H new ATOM 0 HB3 LYS A 13 -2.101 -14.660 -4.862 1.00 0.00 H new ATOM 0 HG2 LYS A 13 -3.851 -16.353 -5.252 1.00 0.00 H new ATOM 0 HG3 LYS A 13 -3.149 -16.786 -6.798 1.00 0.00 H new ATOM 0 HD2 LYS A 13 -1.016 -17.461 -5.591 1.00 0.00 H new ATOM 0 HD3 LYS A 13 -1.811 -17.128 -4.065 1.00 0.00 H new ATOM 0 HE2 LYS A 13 -2.044 -19.519 -4.519 1.00 0.00 H new ATOM 0 HE3 LYS A 13 -3.626 -18.785 -4.691 1.00 0.00 H new ATOM 0 HZ1 LYS A 13 -2.772 -20.348 -6.538 1.00 0.00 H new ATOM 0 HZ2 LYS A 13 -3.534 -18.902 -6.998 1.00 0.00 H new ATOM 0 HZ3 LYS A 13 -1.841 -19.022 -7.043 1.00 0.00 H new ATOM 74 N ASP A 14 -1.482 -12.303 -7.075 1.00 0.00 N ATOM 75 CA ASP A 14 -0.955 -10.958 -6.908 1.00 0.00 C ATOM 76 C ASP A 14 -1.993 -9.931 -7.325 1.00 0.00 C ATOM 77 O ASP A 14 -2.116 -8.872 -6.709 1.00 0.00 O ATOM 78 CB ASP A 14 0.311 -10.782 -7.749 1.00 0.00 C ATOM 79 CG ASP A 14 1.461 -11.567 -7.131 1.00 0.00 C ATOM 80 OD1 ASP A 14 1.845 -11.241 -6.020 1.00 0.00 O ATOM 81 OD2 ASP A 14 1.942 -12.484 -7.777 1.00 0.00 O ATOM 0 H ASP A 14 -0.921 -12.908 -7.675 1.00 0.00 H new ATOM 0 HA ASP A 14 -0.710 -10.808 -5.856 1.00 0.00 H new ATOM 0 HB2 ASP A 14 0.131 -11.126 -8.768 1.00 0.00 H new ATOM 0 HB3 ASP A 14 0.573 -9.726 -7.810 1.00 0.00 H new ATOM 86 N VAL A 15 -2.737 -10.249 -8.375 1.00 0.00 N ATOM 87 CA VAL A 15 -3.761 -9.344 -8.867 1.00 0.00 C ATOM 88 C VAL A 15 -4.777 -9.050 -7.763 1.00 0.00 C ATOM 89 O VAL A 15 -5.119 -7.895 -7.512 1.00 0.00 O ATOM 90 CB VAL A 15 -4.461 -9.974 -10.080 1.00 0.00 C ATOM 91 CG1 VAL A 15 -5.724 -9.185 -10.434 1.00 0.00 C ATOM 92 CG2 VAL A 15 -3.509 -9.963 -11.279 1.00 0.00 C ATOM 0 H VAL A 15 -2.651 -11.120 -8.898 1.00 0.00 H new ATOM 0 HA VAL A 15 -3.297 -8.405 -9.169 1.00 0.00 H new ATOM 0 HB VAL A 15 -4.738 -10.999 -9.833 1.00 0.00 H new ATOM 0 HG11 VAL A 15 -6.210 -9.643 -11.296 1.00 0.00 H new ATOM 0 HG12 VAL A 15 -6.408 -9.193 -9.585 1.00 0.00 H new ATOM 0 HG13 VAL A 15 -5.455 -8.156 -10.674 1.00 0.00 H new ATOM 0 HG21 VAL A 15 -4.004 -10.410 -12.141 1.00 0.00 H new ATOM 0 HG22 VAL A 15 -3.230 -8.936 -11.513 1.00 0.00 H new ATOM 0 HG23 VAL A 15 -2.614 -10.536 -11.038 1.00 0.00 H new ATOM 102 N ALA A 16 -5.252 -10.105 -7.110 1.00 0.00 N ATOM 103 CA ALA A 16 -6.228 -9.955 -6.035 1.00 0.00 C ATOM 104 C ALA A 16 -5.731 -8.958 -4.991 1.00 0.00 C ATOM 105 O ALA A 16 -6.527 -8.289 -4.329 1.00 0.00 O ATOM 106 CB ALA A 16 -6.488 -11.306 -5.365 1.00 0.00 C ATOM 0 H ALA A 16 -4.979 -11.069 -7.304 1.00 0.00 H new ATOM 0 HA ALA A 16 -7.155 -9.581 -6.468 1.00 0.00 H new ATOM 0 HB1 ALA A 16 -7.218 -11.181 -4.565 1.00 0.00 H new ATOM 0 HB2 ALA A 16 -6.875 -12.009 -6.102 1.00 0.00 H new ATOM 0 HB3 ALA A 16 -5.557 -11.691 -4.950 1.00 0.00 H new ATOM 112 N LEU A 17 -4.415 -8.871 -4.845 1.00 0.00 N ATOM 113 CA LEU A 17 -3.819 -7.960 -3.874 1.00 0.00 C ATOM 114 C LEU A 17 -4.071 -6.505 -4.279 1.00 0.00 C ATOM 115 O LEU A 17 -4.541 -5.700 -3.476 1.00 0.00 O ATOM 116 CB LEU A 17 -2.305 -8.237 -3.777 1.00 0.00 C ATOM 117 CG LEU A 17 -1.746 -7.850 -2.396 1.00 0.00 C ATOM 118 CD1 LEU A 17 -2.098 -6.393 -2.071 1.00 0.00 C ATOM 119 CD2 LEU A 17 -2.303 -8.780 -1.292 1.00 0.00 C ATOM 0 H LEU A 17 -3.742 -9.417 -5.383 1.00 0.00 H new ATOM 0 HA LEU A 17 -4.278 -8.124 -2.899 1.00 0.00 H new ATOM 0 HB2 LEU A 17 -2.115 -9.294 -3.964 1.00 0.00 H new ATOM 0 HB3 LEU A 17 -1.782 -7.677 -4.552 1.00 0.00 H new ATOM 0 HG LEU A 17 -0.662 -7.961 -2.428 1.00 0.00 H new ATOM 0 HD11 LEU A 17 -1.697 -6.132 -1.092 1.00 0.00 H new ATOM 0 HD12 LEU A 17 -1.666 -5.737 -2.827 1.00 0.00 H new ATOM 0 HD13 LEU A 17 -3.181 -6.273 -2.063 1.00 0.00 H new ATOM 0 HD21 LEU A 17 -1.892 -8.485 -0.326 1.00 0.00 H new ATOM 0 HD22 LEU A 17 -3.390 -8.701 -1.264 1.00 0.00 H new ATOM 0 HD23 LEU A 17 -2.020 -9.810 -1.507 1.00 0.00 H new ATOM 131 N LYS A 18 -3.762 -6.178 -5.529 1.00 0.00 N ATOM 132 CA LYS A 18 -3.960 -4.818 -6.022 1.00 0.00 C ATOM 133 C LYS A 18 -5.436 -4.545 -6.304 1.00 0.00 C ATOM 134 O LYS A 18 -5.979 -3.521 -5.889 1.00 0.00 O ATOM 135 CB LYS A 18 -3.149 -4.605 -7.301 1.00 0.00 C ATOM 136 CG LYS A 18 -1.658 -4.782 -6.995 1.00 0.00 C ATOM 137 CD LYS A 18 -0.858 -4.705 -8.298 1.00 0.00 C ATOM 138 CE LYS A 18 0.633 -4.867 -7.992 1.00 0.00 C ATOM 139 NZ LYS A 18 0.874 -6.208 -7.387 1.00 0.00 N ATOM 0 H LYS A 18 -3.377 -6.828 -6.214 1.00 0.00 H new ATOM 0 HA LYS A 18 -3.621 -4.126 -5.251 1.00 0.00 H new ATOM 0 HB2 LYS A 18 -3.461 -5.317 -8.065 1.00 0.00 H new ATOM 0 HB3 LYS A 18 -3.334 -3.607 -7.700 1.00 0.00 H new ATOM 0 HG2 LYS A 18 -1.323 -4.009 -6.304 1.00 0.00 H new ATOM 0 HG3 LYS A 18 -1.487 -5.741 -6.507 1.00 0.00 H new ATOM 0 HD2 LYS A 18 -1.186 -5.485 -8.985 1.00 0.00 H new ATOM 0 HD3 LYS A 18 -1.037 -3.750 -8.791 1.00 0.00 H new ATOM 0 HE2 LYS A 18 1.217 -4.759 -8.906 1.00 0.00 H new ATOM 0 HE3 LYS A 18 0.962 -4.084 -7.309 1.00 0.00 H new ATOM 0 HZ1 LYS A 18 1.878 -6.459 -7.489 1.00 0.00 H new ATOM 0 HZ2 LYS A 18 0.624 -6.184 -6.378 1.00 0.00 H new ATOM 0 HZ3 LYS A 18 0.289 -6.918 -7.872 1.00 0.00 H new ATOM 153 N ALA A 19 -6.080 -5.465 -7.017 1.00 0.00 N ATOM 154 CA ALA A 19 -7.491 -5.309 -7.355 1.00 0.00 C ATOM 155 C ALA A 19 -8.366 -5.477 -6.111 1.00 0.00 C ATOM 156 O ALA A 19 -9.580 -5.287 -6.166 1.00 0.00 O ATOM 157 CB ALA A 19 -7.884 -6.341 -8.421 1.00 0.00 C ATOM 0 H ALA A 19 -5.651 -6.320 -7.370 1.00 0.00 H new ATOM 0 HA ALA A 19 -7.648 -4.305 -7.750 1.00 0.00 H new ATOM 0 HB1 ALA A 19 -8.938 -6.222 -8.671 1.00 0.00 H new ATOM 0 HB2 ALA A 19 -7.279 -6.189 -9.315 1.00 0.00 H new ATOM 0 HB3 ALA A 19 -7.714 -7.346 -8.035 1.00 0.00 H new ATOM 163 N LYS A 20 -7.737 -5.828 -4.994 1.00 0.00 N ATOM 164 CA LYS A 20 -8.462 -6.014 -3.739 1.00 0.00 C ATOM 165 C LYS A 20 -9.766 -6.773 -3.982 1.00 0.00 C ATOM 166 O LYS A 20 -10.828 -6.376 -3.503 1.00 0.00 O ATOM 167 CB LYS A 20 -8.766 -4.652 -3.107 1.00 0.00 C ATOM 168 CG LYS A 20 -9.122 -4.829 -1.623 1.00 0.00 C ATOM 169 CD LYS A 20 -9.769 -3.547 -1.099 1.00 0.00 C ATOM 170 CE LYS A 20 -10.203 -3.751 0.354 1.00 0.00 C ATOM 171 NZ LYS A 20 -10.744 -2.471 0.895 1.00 0.00 N ATOM 0 H LYS A 20 -6.732 -5.989 -4.930 1.00 0.00 H new ATOM 0 HA LYS A 20 -7.839 -6.597 -3.060 1.00 0.00 H new ATOM 0 HB2 LYS A 20 -7.902 -3.995 -3.206 1.00 0.00 H new ATOM 0 HB3 LYS A 20 -9.592 -4.174 -3.633 1.00 0.00 H new ATOM 0 HG2 LYS A 20 -9.804 -5.670 -1.499 1.00 0.00 H new ATOM 0 HG3 LYS A 20 -8.225 -5.058 -1.047 1.00 0.00 H new ATOM 0 HD2 LYS A 20 -9.065 -2.718 -1.166 1.00 0.00 H new ATOM 0 HD3 LYS A 20 -10.630 -3.284 -1.713 1.00 0.00 H new ATOM 0 HE2 LYS A 20 -10.961 -4.532 0.412 1.00 0.00 H new ATOM 0 HE3 LYS A 20 -9.356 -4.083 0.955 1.00 0.00 H new ATOM 0 HZ1 LYS A 20 -11.039 -2.609 1.883 1.00 0.00 H new ATOM 0 HZ2 LYS A 20 -10.008 -1.738 0.853 1.00 0.00 H new ATOM 0 HZ3 LYS A 20 -11.563 -2.173 0.327 1.00 0.00 H new ATOM 185 N VAL A 21 -9.673 -7.858 -4.739 1.00 0.00 N ATOM 186 CA VAL A 21 -10.848 -8.662 -5.051 1.00 0.00 C ATOM 187 C VAL A 21 -11.346 -9.379 -3.799 1.00 0.00 C ATOM 188 O VAL A 21 -12.308 -8.945 -3.169 1.00 0.00 O ATOM 189 CB VAL A 21 -10.514 -9.688 -6.144 1.00 0.00 C ATOM 190 CG1 VAL A 21 -11.798 -10.373 -6.626 1.00 0.00 C ATOM 191 CG2 VAL A 21 -9.853 -8.980 -7.331 1.00 0.00 C ATOM 0 H VAL A 21 -8.803 -8.200 -5.146 1.00 0.00 H new ATOM 0 HA VAL A 21 -11.634 -8.001 -5.415 1.00 0.00 H new ATOM 0 HB VAL A 21 -9.834 -10.433 -5.732 1.00 0.00 H new ATOM 0 HG11 VAL A 21 -11.554 -11.099 -7.401 1.00 0.00 H new ATOM 0 HG12 VAL A 21 -12.275 -10.882 -5.789 1.00 0.00 H new ATOM 0 HG13 VAL A 21 -12.479 -9.625 -7.031 1.00 0.00 H new ATOM 0 HG21 VAL A 21 -9.617 -9.710 -8.105 1.00 0.00 H new ATOM 0 HG22 VAL A 21 -10.535 -8.232 -7.734 1.00 0.00 H new ATOM 0 HG23 VAL A 21 -8.936 -8.494 -7.000 1.00 0.00 H new ATOM 201 N SER A 22 -10.680 -10.471 -3.446 1.00 0.00 N ATOM 202 CA SER A 22 -11.056 -11.244 -2.263 1.00 0.00 C ATOM 203 C SER A 22 -10.375 -12.613 -2.287 1.00 0.00 C ATOM 204 O SER A 22 -10.361 -13.294 -3.311 1.00 0.00 O ATOM 205 CB SER A 22 -12.583 -11.411 -2.205 1.00 0.00 C ATOM 206 OG SER A 22 -13.140 -10.335 -1.460 1.00 0.00 O ATOM 0 H SER A 22 -9.880 -10.843 -3.958 1.00 0.00 H new ATOM 0 HA SER A 22 -10.727 -10.707 -1.373 1.00 0.00 H new ATOM 0 HB2 SER A 22 -12.998 -11.426 -3.213 1.00 0.00 H new ATOM 0 HB3 SER A 22 -12.840 -12.363 -1.740 1.00 0.00 H new ATOM 0 HG SER A 22 -13.344 -9.590 -2.064 1.00 0.00 H new ATOM 212 N THR A 23 -9.815 -13.007 -1.151 1.00 0.00 N ATOM 213 CA THR A 23 -9.139 -14.294 -1.053 1.00 0.00 C ATOM 214 C THR A 23 -10.087 -15.430 -1.432 1.00 0.00 C ATOM 215 O THR A 23 -9.653 -16.474 -1.919 1.00 0.00 O ATOM 216 CB THR A 23 -8.626 -14.508 0.373 1.00 0.00 C ATOM 217 OG1 THR A 23 -7.843 -13.390 0.764 1.00 0.00 O ATOM 218 CG2 THR A 23 -7.773 -15.777 0.425 1.00 0.00 C ATOM 0 H THR A 23 -9.815 -12.459 -0.291 1.00 0.00 H new ATOM 0 HA THR A 23 -8.297 -14.294 -1.745 1.00 0.00 H new ATOM 0 HB THR A 23 -9.471 -14.615 1.053 1.00 0.00 H new ATOM 0 HG1 THR A 23 -7.515 -13.524 1.678 1.00 0.00 H new ATOM 0 HG21 THR A 23 -7.408 -15.929 1.441 1.00 0.00 H new ATOM 0 HG22 THR A 23 -8.376 -16.634 0.124 1.00 0.00 H new ATOM 0 HG23 THR A 23 -6.926 -15.674 -0.253 1.00 0.00 H new ATOM 226 N ALA A 24 -11.382 -15.219 -1.208 1.00 0.00 N ATOM 227 CA ALA A 24 -12.381 -16.232 -1.533 1.00 0.00 C ATOM 228 C ALA A 24 -12.689 -16.232 -3.029 1.00 0.00 C ATOM 229 O ALA A 24 -12.836 -17.288 -3.642 1.00 0.00 O ATOM 230 CB ALA A 24 -13.666 -15.965 -0.748 1.00 0.00 C ATOM 0 H ALA A 24 -11.761 -14.362 -0.806 1.00 0.00 H new ATOM 0 HA ALA A 24 -11.980 -17.208 -1.260 1.00 0.00 H new ATOM 0 HB1 ALA A 24 -14.408 -16.725 -0.995 1.00 0.00 H new ATOM 0 HB2 ALA A 24 -13.453 -15.999 0.321 1.00 0.00 H new ATOM 0 HB3 ALA A 24 -14.054 -14.980 -1.009 1.00 0.00 H new ATOM 236 N THR A 25 -12.796 -15.039 -3.606 1.00 0.00 N ATOM 237 CA THR A 25 -13.099 -14.926 -5.029 1.00 0.00 C ATOM 238 C THR A 25 -12.042 -15.662 -5.843 1.00 0.00 C ATOM 239 O THR A 25 -12.337 -16.655 -6.507 1.00 0.00 O ATOM 240 CB THR A 25 -13.139 -13.454 -5.447 1.00 0.00 C ATOM 241 OG1 THR A 25 -12.012 -12.781 -4.908 1.00 0.00 O ATOM 242 CG2 THR A 25 -14.423 -12.806 -4.922 1.00 0.00 C ATOM 0 H THR A 25 -12.680 -14.150 -3.120 1.00 0.00 H new ATOM 0 HA THR A 25 -14.075 -15.373 -5.216 1.00 0.00 H new ATOM 0 HB THR A 25 -13.119 -13.384 -6.535 1.00 0.00 H new ATOM 0 HG1 THR A 25 -11.583 -13.349 -4.235 1.00 0.00 H new ATOM 0 HG21 THR A 25 -14.450 -11.758 -5.220 1.00 0.00 H new ATOM 0 HG22 THR A 25 -15.288 -13.324 -5.337 1.00 0.00 H new ATOM 0 HG23 THR A 25 -14.447 -12.874 -3.834 1.00 0.00 H new ATOM 250 N VAL A 26 -10.812 -15.169 -5.787 1.00 0.00 N ATOM 251 CA VAL A 26 -9.715 -15.786 -6.525 1.00 0.00 C ATOM 252 C VAL A 26 -9.644 -17.289 -6.241 1.00 0.00 C ATOM 253 O VAL A 26 -9.269 -18.077 -7.110 1.00 0.00 O ATOM 254 CB VAL A 26 -8.391 -15.112 -6.139 1.00 0.00 C ATOM 255 CG1 VAL A 26 -7.934 -15.588 -4.754 1.00 0.00 C ATOM 256 CG2 VAL A 26 -7.318 -15.464 -7.174 1.00 0.00 C ATOM 0 H VAL A 26 -10.548 -14.348 -5.242 1.00 0.00 H new ATOM 0 HA VAL A 26 -9.893 -15.651 -7.592 1.00 0.00 H new ATOM 0 HB VAL A 26 -8.541 -14.033 -6.112 1.00 0.00 H new ATOM 0 HG11 VAL A 26 -6.994 -15.102 -4.494 1.00 0.00 H new ATOM 0 HG12 VAL A 26 -8.692 -15.333 -4.013 1.00 0.00 H new ATOM 0 HG13 VAL A 26 -7.791 -16.668 -4.769 1.00 0.00 H new ATOM 0 HG21 VAL A 26 -6.378 -14.986 -6.900 1.00 0.00 H new ATOM 0 HG22 VAL A 26 -7.180 -16.545 -7.202 1.00 0.00 H new ATOM 0 HG23 VAL A 26 -7.631 -15.112 -8.157 1.00 0.00 H new ATOM 266 N SER A 27 -10.000 -17.674 -5.019 1.00 0.00 N ATOM 267 CA SER A 27 -9.966 -19.080 -4.630 1.00 0.00 C ATOM 268 C SER A 27 -11.175 -19.830 -5.182 1.00 0.00 C ATOM 269 O SER A 27 -11.071 -20.995 -5.565 1.00 0.00 O ATOM 270 CB SER A 27 -9.945 -19.196 -3.106 1.00 0.00 C ATOM 271 OG SER A 27 -9.994 -20.569 -2.740 1.00 0.00 O ATOM 0 H SER A 27 -10.313 -17.038 -4.286 1.00 0.00 H new ATOM 0 HA SER A 27 -9.063 -19.526 -5.045 1.00 0.00 H new ATOM 0 HB2 SER A 27 -9.043 -18.733 -2.707 1.00 0.00 H new ATOM 0 HB3 SER A 27 -10.793 -18.663 -2.677 1.00 0.00 H new ATOM 0 HG SER A 27 -9.979 -20.648 -1.763 1.00 0.00 H new ATOM 277 N ARG A 28 -12.317 -19.151 -5.233 1.00 0.00 N ATOM 278 CA ARG A 28 -13.539 -19.759 -5.756 1.00 0.00 C ATOM 279 C ARG A 28 -13.564 -19.662 -7.277 1.00 0.00 C ATOM 280 O ARG A 28 -14.284 -20.398 -7.948 1.00 0.00 O ATOM 281 CB ARG A 28 -14.767 -19.049 -5.176 1.00 0.00 C ATOM 282 CG ARG A 28 -14.860 -19.305 -3.659 1.00 0.00 C ATOM 283 CD ARG A 28 -15.603 -20.620 -3.385 1.00 0.00 C ATOM 284 NE ARG A 28 -15.779 -20.807 -1.950 1.00 0.00 N ATOM 285 CZ ARG A 28 -16.311 -21.922 -1.462 1.00 0.00 C ATOM 286 NH1 ARG A 28 -16.688 -22.873 -2.273 1.00 0.00 N ATOM 287 NH2 ARG A 28 -16.459 -22.066 -0.174 1.00 0.00 N ATOM 0 H ARG A 28 -12.423 -18.186 -4.921 1.00 0.00 H new ATOM 0 HA ARG A 28 -13.559 -20.809 -5.465 1.00 0.00 H new ATOM 0 HB2 ARG A 28 -14.702 -17.978 -5.369 1.00 0.00 H new ATOM 0 HB3 ARG A 28 -15.671 -19.407 -5.669 1.00 0.00 H new ATOM 0 HG2 ARG A 28 -13.859 -19.348 -3.229 1.00 0.00 H new ATOM 0 HG3 ARG A 28 -15.380 -18.478 -3.175 1.00 0.00 H new ATOM 0 HD2 ARG A 28 -16.574 -20.608 -3.880 1.00 0.00 H new ATOM 0 HD3 ARG A 28 -15.043 -21.457 -3.803 1.00 0.00 H new ATOM 0 HE ARG A 28 -15.488 -20.068 -1.309 1.00 0.00 H new ATOM 0 HH11 ARG A 28 -16.574 -22.759 -3.280 1.00 0.00 H new ATOM 0 HH12 ARG A 28 -17.097 -23.730 -1.899 1.00 0.00 H new ATOM 0 HH21 ARG A 28 -16.166 -21.322 0.459 1.00 0.00 H new ATOM 0 HH22 ARG A 28 -16.868 -22.923 0.200 1.00 0.00 H new ATOM 301 N ALA A 29 -12.773 -18.738 -7.808 1.00 0.00 N ATOM 302 CA ALA A 29 -12.700 -18.525 -9.249 1.00 0.00 C ATOM 303 C ALA A 29 -12.366 -19.819 -9.987 1.00 0.00 C ATOM 304 O ALA A 29 -12.602 -19.934 -11.190 1.00 0.00 O ATOM 305 CB ALA A 29 -11.638 -17.469 -9.571 1.00 0.00 C ATOM 0 H ALA A 29 -12.171 -18.122 -7.261 1.00 0.00 H new ATOM 0 HA ALA A 29 -13.678 -18.180 -9.583 1.00 0.00 H new ATOM 0 HB1 ALA A 29 -11.591 -17.317 -10.649 1.00 0.00 H new ATOM 0 HB2 ALA A 29 -11.899 -16.530 -9.083 1.00 0.00 H new ATOM 0 HB3 ALA A 29 -10.667 -17.808 -9.210 1.00 0.00 H new ATOM 311 N LEU A 30 -11.811 -20.791 -9.266 1.00 0.00 N ATOM 312 CA LEU A 30 -11.447 -22.072 -9.875 1.00 0.00 C ATOM 313 C LEU A 30 -12.624 -23.046 -9.825 1.00 0.00 C ATOM 314 O LEU A 30 -12.554 -24.143 -10.378 1.00 0.00 O ATOM 315 CB LEU A 30 -10.241 -22.679 -9.138 1.00 0.00 C ATOM 316 CG LEU A 30 -8.945 -22.008 -9.610 1.00 0.00 C ATOM 317 CD1 LEU A 30 -9.005 -20.504 -9.329 1.00 0.00 C ATOM 318 CD2 LEU A 30 -7.757 -22.618 -8.862 1.00 0.00 C ATOM 0 H LEU A 30 -11.604 -20.720 -8.270 1.00 0.00 H new ATOM 0 HA LEU A 30 -11.183 -21.895 -10.918 1.00 0.00 H new ATOM 0 HB2 LEU A 30 -10.358 -22.547 -8.062 1.00 0.00 H new ATOM 0 HB3 LEU A 30 -10.193 -23.752 -9.324 1.00 0.00 H new ATOM 0 HG LEU A 30 -8.827 -22.168 -10.682 1.00 0.00 H new ATOM 0 HD11 LEU A 30 -8.081 -20.034 -9.667 1.00 0.00 H new ATOM 0 HD12 LEU A 30 -9.850 -20.068 -9.862 1.00 0.00 H new ATOM 0 HD13 LEU A 30 -9.126 -20.338 -8.258 1.00 0.00 H new ATOM 0 HD21 LEU A 30 -6.834 -22.143 -9.195 1.00 0.00 H new ATOM 0 HD22 LEU A 30 -7.881 -22.458 -7.791 1.00 0.00 H new ATOM 0 HD23 LEU A 30 -7.709 -23.688 -9.066 1.00 0.00 H new ATOM 330 N MET A 31 -13.703 -22.641 -9.153 1.00 0.00 N ATOM 331 CA MET A 31 -14.896 -23.488 -9.027 1.00 0.00 C ATOM 332 C MET A 31 -16.124 -22.785 -9.599 1.00 0.00 C ATOM 333 O MET A 31 -16.966 -23.412 -10.241 1.00 0.00 O ATOM 334 CB MET A 31 -15.142 -23.815 -7.553 1.00 0.00 C ATOM 335 CG MET A 31 -13.909 -24.508 -6.970 1.00 0.00 C ATOM 336 SD MET A 31 -13.797 -26.191 -7.625 1.00 0.00 S ATOM 337 CE MET A 31 -12.128 -26.558 -7.026 1.00 0.00 C ATOM 0 H MET A 31 -13.778 -21.736 -8.688 1.00 0.00 H new ATOM 0 HA MET A 31 -14.725 -24.407 -9.588 1.00 0.00 H new ATOM 0 HB2 MET A 31 -15.355 -22.902 -6.998 1.00 0.00 H new ATOM 0 HB3 MET A 31 -16.015 -24.460 -7.454 1.00 0.00 H new ATOM 0 HG2 MET A 31 -13.009 -23.947 -7.223 1.00 0.00 H new ATOM 0 HG3 MET A 31 -13.973 -24.533 -5.882 1.00 0.00 H new ATOM 0 HE1 MET A 31 -11.849 -27.569 -7.324 1.00 0.00 H new ATOM 0 HE2 MET A 31 -11.423 -25.846 -7.454 1.00 0.00 H new ATOM 0 HE3 MET A 31 -12.106 -26.481 -5.939 1.00 0.00 H new ATOM 347 N ASN A 32 -16.225 -21.480 -9.356 1.00 0.00 N ATOM 348 CA ASN A 32 -17.361 -20.703 -9.846 1.00 0.00 C ATOM 349 C ASN A 32 -16.974 -19.235 -10.021 1.00 0.00 C ATOM 350 O ASN A 32 -17.260 -18.407 -9.155 1.00 0.00 O ATOM 351 CB ASN A 32 -18.520 -20.804 -8.851 1.00 0.00 C ATOM 352 CG ASN A 32 -19.802 -20.278 -9.489 1.00 0.00 C ATOM 353 OD1 ASN A 32 -20.219 -20.765 -10.540 1.00 0.00 O ATOM 354 ND2 ASN A 32 -20.454 -19.305 -8.913 1.00 0.00 N ATOM 0 H ASN A 32 -15.539 -20.942 -8.827 1.00 0.00 H new ATOM 0 HA ASN A 32 -17.665 -21.106 -10.812 1.00 0.00 H new ATOM 0 HB2 ASN A 32 -18.656 -21.841 -8.543 1.00 0.00 H new ATOM 0 HB3 ASN A 32 -18.290 -20.232 -7.952 1.00 0.00 H new ATOM 0 HD21 ASN A 32 -21.311 -18.946 -9.334 1.00 0.00 H new ATOM 0 HD22 ASN A 32 -20.106 -18.903 -8.042 1.00 0.00 H new ATOM 361 N PRO A 33 -16.334 -18.893 -11.114 1.00 0.00 N ATOM 362 CA PRO A 33 -15.909 -17.491 -11.384 1.00 0.00 C ATOM 363 C PRO A 33 -17.052 -16.645 -11.945 1.00 0.00 C ATOM 364 O PRO A 33 -17.102 -16.367 -13.143 1.00 0.00 O ATOM 365 CB PRO A 33 -14.781 -17.663 -12.407 1.00 0.00 C ATOM 366 CG PRO A 33 -15.141 -18.900 -13.173 1.00 0.00 C ATOM 367 CD PRO A 33 -15.944 -19.798 -12.212 1.00 0.00 C ATOM 0 HA PRO A 33 -15.596 -16.963 -10.483 1.00 0.00 H new ATOM 0 HB2 PRO A 33 -14.709 -16.797 -13.065 1.00 0.00 H new ATOM 0 HB3 PRO A 33 -13.814 -17.770 -11.915 1.00 0.00 H new ATOM 0 HG2 PRO A 33 -15.732 -18.651 -14.055 1.00 0.00 H new ATOM 0 HG3 PRO A 33 -14.245 -19.412 -13.524 1.00 0.00 H new ATOM 0 HD2 PRO A 33 -16.817 -20.227 -12.704 1.00 0.00 H new ATOM 0 HD3 PRO A 33 -15.342 -20.630 -11.848 1.00 0.00 H new ATOM 375 N ASP A 34 -17.965 -16.240 -11.066 1.00 0.00 N ATOM 376 CA ASP A 34 -19.105 -15.425 -11.476 1.00 0.00 C ATOM 377 C ASP A 34 -19.686 -14.679 -10.279 1.00 0.00 C ATOM 378 O ASP A 34 -20.882 -14.390 -10.239 1.00 0.00 O ATOM 379 CB ASP A 34 -20.186 -16.315 -12.095 1.00 0.00 C ATOM 380 CG ASP A 34 -19.612 -17.102 -13.267 1.00 0.00 C ATOM 381 OD1 ASP A 34 -18.999 -18.128 -13.021 1.00 0.00 O ATOM 382 OD2 ASP A 34 -19.792 -16.668 -14.393 1.00 0.00 O ATOM 0 H ASP A 34 -17.938 -16.461 -10.071 1.00 0.00 H new ATOM 0 HA ASP A 34 -18.763 -14.699 -12.214 1.00 0.00 H new ATOM 0 HB2 ASP A 34 -20.577 -17.001 -11.343 1.00 0.00 H new ATOM 0 HB3 ASP A 34 -21.022 -15.703 -12.433 1.00 0.00 H new ATOM 387 N LYS A 35 -18.831 -14.372 -9.302 1.00 0.00 N ATOM 388 CA LYS A 35 -19.260 -13.657 -8.096 1.00 0.00 C ATOM 389 C LYS A 35 -18.486 -12.351 -7.942 1.00 0.00 C ATOM 390 O LYS A 35 -18.786 -11.542 -7.063 1.00 0.00 O ATOM 391 CB LYS A 35 -19.026 -14.535 -6.865 1.00 0.00 C ATOM 392 CG LYS A 35 -19.930 -15.768 -6.936 1.00 0.00 C ATOM 393 CD LYS A 35 -19.445 -16.820 -5.935 1.00 0.00 C ATOM 394 CE LYS A 35 -19.486 -16.242 -4.517 1.00 0.00 C ATOM 395 NZ LYS A 35 -19.412 -17.352 -3.526 1.00 0.00 N ATOM 0 H LYS A 35 -17.838 -14.606 -9.321 1.00 0.00 H new ATOM 0 HA LYS A 35 -20.322 -13.428 -8.188 1.00 0.00 H new ATOM 0 HB2 LYS A 35 -17.981 -14.840 -6.816 1.00 0.00 H new ATOM 0 HB3 LYS A 35 -19.235 -13.969 -5.957 1.00 0.00 H new ATOM 0 HG2 LYS A 35 -20.960 -15.489 -6.715 1.00 0.00 H new ATOM 0 HG3 LYS A 35 -19.921 -16.180 -7.945 1.00 0.00 H new ATOM 0 HD2 LYS A 35 -20.073 -17.709 -5.994 1.00 0.00 H new ATOM 0 HD3 LYS A 35 -18.430 -17.130 -6.182 1.00 0.00 H new ATOM 0 HE2 LYS A 35 -18.655 -15.553 -4.370 1.00 0.00 H new ATOM 0 HE3 LYS A 35 -20.403 -15.671 -4.372 1.00 0.00 H new ATOM 0 HZ1 LYS A 35 -19.440 -16.960 -2.563 1.00 0.00 H new ATOM 0 HZ2 LYS A 35 -20.219 -17.993 -3.662 1.00 0.00 H new ATOM 0 HZ3 LYS A 35 -18.525 -17.878 -3.660 1.00 0.00 H new ATOM 409 N VAL A 36 -17.493 -12.151 -8.800 1.00 0.00 N ATOM 410 CA VAL A 36 -16.685 -10.938 -8.750 1.00 0.00 C ATOM 411 C VAL A 36 -17.535 -9.722 -9.103 1.00 0.00 C ATOM 412 O VAL A 36 -18.289 -9.740 -10.077 1.00 0.00 O ATOM 413 CB VAL A 36 -15.521 -11.047 -9.734 1.00 0.00 C ATOM 414 CG1 VAL A 36 -14.580 -9.853 -9.556 1.00 0.00 C ATOM 415 CG2 VAL A 36 -14.752 -12.345 -9.475 1.00 0.00 C ATOM 0 H VAL A 36 -17.229 -12.808 -9.534 1.00 0.00 H new ATOM 0 HA VAL A 36 -16.296 -10.820 -7.739 1.00 0.00 H new ATOM 0 HB VAL A 36 -15.910 -11.051 -10.752 1.00 0.00 H new ATOM 0 HG11 VAL A 36 -13.751 -9.935 -10.260 1.00 0.00 H new ATOM 0 HG12 VAL A 36 -15.126 -8.928 -9.744 1.00 0.00 H new ATOM 0 HG13 VAL A 36 -14.192 -9.844 -8.538 1.00 0.00 H new ATOM 0 HG21 VAL A 36 -13.922 -12.422 -10.177 1.00 0.00 H new ATOM 0 HG22 VAL A 36 -14.366 -12.342 -8.456 1.00 0.00 H new ATOM 0 HG23 VAL A 36 -15.420 -13.196 -9.608 1.00 0.00 H new ATOM 425 N SER A 37 -17.413 -8.668 -8.304 1.00 0.00 N ATOM 426 CA SER A 37 -18.176 -7.450 -8.541 1.00 0.00 C ATOM 427 C SER A 37 -18.027 -7.006 -9.991 1.00 0.00 C ATOM 428 O SER A 37 -16.945 -7.092 -10.563 1.00 0.00 O ATOM 429 CB SER A 37 -17.703 -6.337 -7.601 1.00 0.00 C ATOM 430 OG SER A 37 -17.437 -6.889 -6.319 1.00 0.00 O ATOM 0 H SER A 37 -16.797 -8.633 -7.492 1.00 0.00 H new ATOM 0 HA SER A 37 -19.228 -7.656 -8.343 1.00 0.00 H new ATOM 0 HB2 SER A 37 -16.805 -5.865 -8.000 1.00 0.00 H new ATOM 0 HB3 SER A 37 -18.465 -5.561 -7.525 1.00 0.00 H new ATOM 0 HG SER A 37 -17.132 -6.180 -5.715 1.00 0.00 H new ATOM 436 N GLN A 38 -19.122 -6.532 -10.578 1.00 0.00 N ATOM 437 CA GLN A 38 -19.104 -6.085 -11.967 1.00 0.00 C ATOM 438 C GLN A 38 -17.902 -5.183 -12.225 1.00 0.00 C ATOM 439 O GLN A 38 -17.119 -5.428 -13.142 1.00 0.00 O ATOM 440 CB GLN A 38 -20.401 -5.327 -12.292 1.00 0.00 C ATOM 441 CG GLN A 38 -21.552 -6.318 -12.503 1.00 0.00 C ATOM 442 CD GLN A 38 -22.891 -5.593 -12.406 1.00 0.00 C ATOM 443 OE1 GLN A 38 -23.005 -4.594 -11.696 1.00 0.00 O ATOM 444 NE2 GLN A 38 -23.913 -6.038 -13.081 1.00 0.00 N ATOM 0 H GLN A 38 -20.028 -6.448 -10.117 1.00 0.00 H new ATOM 0 HA GLN A 38 -19.028 -6.962 -12.610 1.00 0.00 H new ATOM 0 HB2 GLN A 38 -20.645 -4.642 -11.480 1.00 0.00 H new ATOM 0 HB3 GLN A 38 -20.263 -4.722 -13.188 1.00 0.00 H new ATOM 0 HG2 GLN A 38 -21.458 -6.795 -13.479 1.00 0.00 H new ATOM 0 HG3 GLN A 38 -21.503 -7.109 -11.755 1.00 0.00 H new ATOM 0 HE21 GLN A 38 -23.815 -6.866 -13.668 1.00 0.00 H new ATOM 0 HE22 GLN A 38 -24.811 -5.558 -13.022 1.00 0.00 H new ATOM 453 N ALA A 39 -17.759 -4.143 -11.414 1.00 0.00 N ATOM 454 CA ALA A 39 -16.638 -3.228 -11.585 1.00 0.00 C ATOM 455 C ALA A 39 -15.332 -4.009 -11.522 1.00 0.00 C ATOM 456 O ALA A 39 -14.488 -3.905 -12.411 1.00 0.00 O ATOM 457 CB ALA A 39 -16.653 -2.156 -10.489 1.00 0.00 C ATOM 0 H ALA A 39 -18.391 -3.914 -10.646 1.00 0.00 H new ATOM 0 HA ALA A 39 -16.725 -2.738 -12.555 1.00 0.00 H new ATOM 0 HB1 ALA A 39 -15.810 -1.480 -10.630 1.00 0.00 H new ATOM 0 HB2 ALA A 39 -17.584 -1.592 -10.545 1.00 0.00 H new ATOM 0 HB3 ALA A 39 -16.576 -2.633 -9.512 1.00 0.00 H new ATOM 463 N THR A 40 -15.182 -4.793 -10.463 1.00 0.00 N ATOM 464 CA THR A 40 -13.984 -5.599 -10.277 1.00 0.00 C ATOM 465 C THR A 40 -13.873 -6.665 -11.368 1.00 0.00 C ATOM 466 O THR A 40 -12.786 -7.167 -11.648 1.00 0.00 O ATOM 467 CB THR A 40 -14.031 -6.271 -8.904 1.00 0.00 C ATOM 468 OG1 THR A 40 -14.119 -5.273 -7.896 1.00 0.00 O ATOM 469 CG2 THR A 40 -12.767 -7.105 -8.689 1.00 0.00 C ATOM 0 H THR A 40 -15.875 -4.888 -9.720 1.00 0.00 H new ATOM 0 HA THR A 40 -13.112 -4.948 -10.340 1.00 0.00 H new ATOM 0 HB THR A 40 -14.902 -6.924 -8.851 1.00 0.00 H new ATOM 0 HG1 THR A 40 -14.151 -5.700 -7.015 1.00 0.00 H new ATOM 0 HG21 THR A 40 -12.807 -7.581 -7.709 1.00 0.00 H new ATOM 0 HG22 THR A 40 -12.701 -7.871 -9.462 1.00 0.00 H new ATOM 0 HG23 THR A 40 -11.891 -6.459 -8.743 1.00 0.00 H new ATOM 477 N ARG A 41 -15.004 -7.000 -11.985 1.00 0.00 N ATOM 478 CA ARG A 41 -15.016 -8.003 -13.049 1.00 0.00 C ATOM 479 C ARG A 41 -14.338 -7.452 -14.303 1.00 0.00 C ATOM 480 O ARG A 41 -13.523 -8.127 -14.930 1.00 0.00 O ATOM 481 CB ARG A 41 -16.465 -8.421 -13.375 1.00 0.00 C ATOM 482 CG ARG A 41 -16.499 -9.842 -13.964 1.00 0.00 C ATOM 483 CD ARG A 41 -15.772 -9.886 -15.317 1.00 0.00 C ATOM 484 NE ARG A 41 -16.355 -10.922 -16.163 1.00 0.00 N ATOM 485 CZ ARG A 41 -17.540 -10.751 -16.742 1.00 0.00 C ATOM 486 NH1 ARG A 41 -18.201 -9.641 -16.559 1.00 0.00 N ATOM 487 NH2 ARG A 41 -18.040 -11.693 -17.494 1.00 0.00 N ATOM 0 H ARG A 41 -15.916 -6.597 -11.770 1.00 0.00 H new ATOM 0 HA ARG A 41 -14.466 -8.879 -12.705 1.00 0.00 H new ATOM 0 HB2 ARG A 41 -17.073 -8.382 -12.471 1.00 0.00 H new ATOM 0 HB3 ARG A 41 -16.902 -7.717 -14.084 1.00 0.00 H new ATOM 0 HG2 ARG A 41 -16.030 -10.540 -13.270 1.00 0.00 H new ATOM 0 HG3 ARG A 41 -17.533 -10.164 -14.090 1.00 0.00 H new ATOM 0 HD2 ARG A 41 -15.846 -8.917 -15.811 1.00 0.00 H new ATOM 0 HD3 ARG A 41 -14.711 -10.085 -15.163 1.00 0.00 H new ATOM 0 HE ARG A 41 -15.845 -11.792 -16.313 1.00 0.00 H new ATOM 0 HH11 ARG A 41 -17.809 -8.905 -15.972 1.00 0.00 H new ATOM 0 HH12 ARG A 41 -19.110 -9.510 -17.003 1.00 0.00 H new ATOM 0 HH21 ARG A 41 -17.522 -12.560 -17.637 1.00 0.00 H new ATOM 0 HH22 ARG A 41 -18.949 -11.562 -17.938 1.00 0.00 H new ATOM 501 N ASN A 42 -14.684 -6.220 -14.663 1.00 0.00 N ATOM 502 CA ASN A 42 -14.104 -5.595 -15.847 1.00 0.00 C ATOM 503 C ASN A 42 -12.616 -5.321 -15.645 1.00 0.00 C ATOM 504 O ASN A 42 -11.824 -5.429 -16.581 1.00 0.00 O ATOM 505 CB ASN A 42 -14.829 -4.282 -16.155 1.00 0.00 C ATOM 506 CG ASN A 42 -14.319 -3.703 -17.470 1.00 0.00 C ATOM 507 OD1 ASN A 42 -14.076 -2.500 -17.568 1.00 0.00 O ATOM 508 ND2 ASN A 42 -14.140 -4.493 -18.494 1.00 0.00 N ATOM 0 H ASN A 42 -15.355 -5.640 -14.159 1.00 0.00 H new ATOM 0 HA ASN A 42 -14.221 -6.282 -16.685 1.00 0.00 H new ATOM 0 HB2 ASN A 42 -15.903 -4.456 -16.217 1.00 0.00 H new ATOM 0 HB3 ASN A 42 -14.667 -3.569 -15.347 1.00 0.00 H new ATOM 0 HD21 ASN A 42 -13.798 -4.114 -19.377 1.00 0.00 H new ATOM 0 HD22 ASN A 42 -14.342 -5.489 -18.411 1.00 0.00 H new ATOM 515 N ARG A 43 -12.246 -4.962 -14.423 1.00 0.00 N ATOM 516 CA ARG A 43 -10.851 -4.668 -14.109 1.00 0.00 C ATOM 517 C ARG A 43 -10.007 -5.936 -14.179 1.00 0.00 C ATOM 518 O ARG A 43 -8.845 -5.896 -14.585 1.00 0.00 O ATOM 519 CB ARG A 43 -10.746 -4.058 -12.710 1.00 0.00 C ATOM 520 CG ARG A 43 -11.402 -2.677 -12.703 1.00 0.00 C ATOM 521 CD ARG A 43 -11.176 -2.011 -11.344 1.00 0.00 C ATOM 522 NE ARG A 43 -11.584 -2.907 -10.269 1.00 0.00 N ATOM 523 CZ ARG A 43 -11.833 -2.448 -9.047 1.00 0.00 C ATOM 524 NH1 ARG A 43 -11.712 -1.173 -8.794 1.00 0.00 N ATOM 525 NH2 ARG A 43 -12.198 -3.269 -8.102 1.00 0.00 N ATOM 0 H ARG A 43 -12.887 -4.867 -13.635 1.00 0.00 H new ATOM 0 HA ARG A 43 -10.476 -3.955 -14.843 1.00 0.00 H new ATOM 0 HB2 ARG A 43 -11.233 -4.707 -11.982 1.00 0.00 H new ATOM 0 HB3 ARG A 43 -9.700 -3.976 -12.415 1.00 0.00 H new ATOM 0 HG2 ARG A 43 -10.982 -2.059 -13.497 1.00 0.00 H new ATOM 0 HG3 ARG A 43 -12.470 -2.769 -12.902 1.00 0.00 H new ATOM 0 HD2 ARG A 43 -10.124 -1.750 -11.230 1.00 0.00 H new ATOM 0 HD3 ARG A 43 -11.743 -1.082 -11.288 1.00 0.00 H new ATOM 0 HE ARG A 43 -11.680 -3.905 -10.458 1.00 0.00 H new ATOM 0 HH11 ARG A 43 -11.427 -0.531 -9.534 1.00 0.00 H new ATOM 0 HH12 ARG A 43 -11.903 -0.819 -7.857 1.00 0.00 H new ATOM 0 HH21 ARG A 43 -12.293 -4.265 -8.300 1.00 0.00 H new ATOM 0 HH22 ARG A 43 -12.389 -2.915 -7.165 1.00 0.00 H new ATOM 539 N VAL A 44 -10.596 -7.058 -13.789 1.00 0.00 N ATOM 540 CA VAL A 44 -9.885 -8.329 -13.821 1.00 0.00 C ATOM 541 C VAL A 44 -9.614 -8.728 -15.270 1.00 0.00 C ATOM 542 O VAL A 44 -8.508 -9.142 -15.618 1.00 0.00 O ATOM 543 CB VAL A 44 -10.719 -9.407 -13.108 1.00 0.00 C ATOM 544 CG1 VAL A 44 -10.201 -10.806 -13.466 1.00 0.00 C ATOM 545 CG2 VAL A 44 -10.622 -9.207 -11.588 1.00 0.00 C ATOM 0 H VAL A 44 -11.556 -7.115 -13.449 1.00 0.00 H new ATOM 0 HA VAL A 44 -8.931 -8.229 -13.303 1.00 0.00 H new ATOM 0 HB VAL A 44 -11.757 -9.318 -13.430 1.00 0.00 H new ATOM 0 HG11 VAL A 44 -10.801 -11.558 -12.954 1.00 0.00 H new ATOM 0 HG12 VAL A 44 -10.273 -10.956 -14.543 1.00 0.00 H new ATOM 0 HG13 VAL A 44 -9.160 -10.899 -13.156 1.00 0.00 H new ATOM 0 HG21 VAL A 44 -11.213 -9.971 -11.082 1.00 0.00 H new ATOM 0 HG22 VAL A 44 -9.581 -9.288 -11.276 1.00 0.00 H new ATOM 0 HG23 VAL A 44 -11.004 -8.220 -11.326 1.00 0.00 H new ATOM 555 N GLU A 45 -10.639 -8.606 -16.107 1.00 0.00 N ATOM 556 CA GLU A 45 -10.513 -8.965 -17.516 1.00 0.00 C ATOM 557 C GLU A 45 -9.295 -8.294 -18.149 1.00 0.00 C ATOM 558 O GLU A 45 -8.437 -8.969 -18.717 1.00 0.00 O ATOM 559 CB GLU A 45 -11.776 -8.555 -18.282 1.00 0.00 C ATOM 560 CG GLU A 45 -11.601 -8.870 -19.770 1.00 0.00 C ATOM 561 CD GLU A 45 -12.941 -8.758 -20.487 1.00 0.00 C ATOM 562 OE1 GLU A 45 -13.728 -7.909 -20.102 1.00 0.00 O ATOM 563 OE2 GLU A 45 -13.161 -9.524 -21.411 1.00 0.00 O ATOM 0 H GLU A 45 -11.561 -8.264 -15.837 1.00 0.00 H new ATOM 0 HA GLU A 45 -10.385 -10.046 -17.574 1.00 0.00 H new ATOM 0 HB2 GLU A 45 -12.642 -9.087 -17.887 1.00 0.00 H new ATOM 0 HB3 GLU A 45 -11.966 -7.490 -18.146 1.00 0.00 H new ATOM 0 HG2 GLU A 45 -10.883 -8.181 -20.214 1.00 0.00 H new ATOM 0 HG3 GLU A 45 -11.196 -9.875 -19.892 1.00 0.00 H new ATOM 570 N LYS A 46 -9.223 -6.968 -18.058 1.00 0.00 N ATOM 571 CA LYS A 46 -8.097 -6.239 -18.640 1.00 0.00 C ATOM 572 C LYS A 46 -6.810 -6.471 -17.841 1.00 0.00 C ATOM 573 O LYS A 46 -5.724 -6.569 -18.411 1.00 0.00 O ATOM 574 CB LYS A 46 -8.420 -4.734 -18.714 1.00 0.00 C ATOM 575 CG LYS A 46 -8.191 -4.062 -17.352 1.00 0.00 C ATOM 576 CD LYS A 46 -8.850 -2.681 -17.346 1.00 0.00 C ATOM 577 CE LYS A 46 -8.443 -1.925 -16.081 1.00 0.00 C ATOM 578 NZ LYS A 46 -7.017 -1.507 -16.188 1.00 0.00 N ATOM 0 H LYS A 46 -9.919 -6.383 -17.595 1.00 0.00 H new ATOM 0 HA LYS A 46 -7.935 -6.617 -19.649 1.00 0.00 H new ATOM 0 HB2 LYS A 46 -7.794 -4.259 -19.469 1.00 0.00 H new ATOM 0 HB3 LYS A 46 -9.455 -4.594 -19.025 1.00 0.00 H new ATOM 0 HG2 LYS A 46 -8.608 -4.679 -16.556 1.00 0.00 H new ATOM 0 HG3 LYS A 46 -7.123 -3.968 -17.156 1.00 0.00 H new ATOM 0 HD2 LYS A 46 -8.549 -2.119 -18.230 1.00 0.00 H new ATOM 0 HD3 LYS A 46 -9.934 -2.784 -17.387 1.00 0.00 H new ATOM 0 HE2 LYS A 46 -9.080 -1.051 -15.946 1.00 0.00 H new ATOM 0 HE3 LYS A 46 -8.582 -2.559 -15.205 1.00 0.00 H new ATOM 0 HZ1 LYS A 46 -6.832 -0.729 -15.523 1.00 0.00 H new ATOM 0 HZ2 LYS A 46 -6.401 -2.313 -15.958 1.00 0.00 H new ATOM 0 HZ3 LYS A 46 -6.821 -1.187 -17.158 1.00 0.00 H new ATOM 592 N ALA A 47 -6.947 -6.546 -16.522 1.00 0.00 N ATOM 593 CA ALA A 47 -5.798 -6.753 -15.647 1.00 0.00 C ATOM 594 C ALA A 47 -5.276 -8.182 -15.755 1.00 0.00 C ATOM 595 O ALA A 47 -4.119 -8.451 -15.437 1.00 0.00 O ATOM 596 CB ALA A 47 -6.184 -6.457 -14.196 1.00 0.00 C ATOM 0 H ALA A 47 -7.840 -6.467 -16.035 1.00 0.00 H new ATOM 0 HA ALA A 47 -5.008 -6.071 -15.962 1.00 0.00 H new ATOM 0 HB1 ALA A 47 -5.320 -6.614 -13.550 1.00 0.00 H new ATOM 0 HB2 ALA A 47 -6.516 -5.422 -14.112 1.00 0.00 H new ATOM 0 HB3 ALA A 47 -6.991 -7.123 -13.891 1.00 0.00 H new ATOM 602 N ALA A 48 -6.132 -9.092 -16.206 1.00 0.00 N ATOM 603 CA ALA A 48 -5.736 -10.490 -16.350 1.00 0.00 C ATOM 604 C ALA A 48 -4.795 -10.665 -17.538 1.00 0.00 C ATOM 605 O ALA A 48 -3.795 -11.377 -17.449 1.00 0.00 O ATOM 606 CB ALA A 48 -6.972 -11.368 -16.541 1.00 0.00 C ATOM 0 H ALA A 48 -7.095 -8.891 -16.476 1.00 0.00 H new ATOM 0 HA ALA A 48 -5.214 -10.792 -15.442 1.00 0.00 H new ATOM 0 HB1 ALA A 48 -6.666 -12.409 -16.647 1.00 0.00 H new ATOM 0 HB2 ALA A 48 -7.626 -11.269 -15.675 1.00 0.00 H new ATOM 0 HB3 ALA A 48 -7.507 -11.054 -17.437 1.00 0.00 H new ATOM 612 N ARG A 49 -5.121 -10.015 -18.650 1.00 0.00 N ATOM 613 CA ARG A 49 -4.293 -10.110 -19.848 1.00 0.00 C ATOM 614 C ARG A 49 -2.941 -9.440 -19.620 1.00 0.00 C ATOM 615 O ARG A 49 -1.921 -9.887 -20.144 1.00 0.00 O ATOM 616 CB ARG A 49 -5.004 -9.441 -21.032 1.00 0.00 C ATOM 617 CG ARG A 49 -4.313 -9.830 -22.357 1.00 0.00 C ATOM 618 CD ARG A 49 -4.893 -11.144 -22.892 1.00 0.00 C ATOM 619 NE ARG A 49 -4.289 -11.476 -24.177 1.00 0.00 N ATOM 620 CZ ARG A 49 -4.650 -12.565 -24.845 1.00 0.00 C ATOM 621 NH1 ARG A 49 -5.566 -13.357 -24.358 1.00 0.00 N ATOM 622 NH2 ARG A 49 -4.092 -12.844 -25.992 1.00 0.00 N ATOM 0 H ARG A 49 -5.945 -9.422 -18.748 1.00 0.00 H new ATOM 0 HA ARG A 49 -4.131 -11.165 -20.071 1.00 0.00 H new ATOM 0 HB2 ARG A 49 -6.051 -9.745 -21.056 1.00 0.00 H new ATOM 0 HB3 ARG A 49 -4.989 -8.358 -20.910 1.00 0.00 H new ATOM 0 HG2 ARG A 49 -4.450 -9.038 -23.093 1.00 0.00 H new ATOM 0 HG3 ARG A 49 -3.240 -9.936 -22.198 1.00 0.00 H new ATOM 0 HD2 ARG A 49 -4.711 -11.947 -22.178 1.00 0.00 H new ATOM 0 HD3 ARG A 49 -5.974 -11.054 -23.002 1.00 0.00 H new ATOM 0 HE ARG A 49 -3.577 -10.861 -24.570 1.00 0.00 H new ATOM 0 HH11 ARG A 49 -6.005 -13.139 -23.463 1.00 0.00 H new ATOM 0 HH12 ARG A 49 -5.843 -14.193 -24.872 1.00 0.00 H new ATOM 0 HH21 ARG A 49 -3.378 -12.225 -26.376 1.00 0.00 H new ATOM 0 HH22 ARG A 49 -4.370 -13.681 -26.504 1.00 0.00 H new ATOM 636 N GLU A 50 -2.943 -8.365 -18.839 1.00 0.00 N ATOM 637 CA GLU A 50 -1.709 -7.641 -18.550 1.00 0.00 C ATOM 638 C GLU A 50 -0.700 -8.553 -17.858 1.00 0.00 C ATOM 639 O GLU A 50 0.464 -8.619 -18.253 1.00 0.00 O ATOM 640 CB GLU A 50 -2.009 -6.432 -17.657 1.00 0.00 C ATOM 641 CG GLU A 50 -2.673 -5.327 -18.490 1.00 0.00 C ATOM 642 CD GLU A 50 -1.628 -4.624 -19.350 1.00 0.00 C ATOM 643 OE1 GLU A 50 -0.481 -5.036 -19.306 1.00 0.00 O ATOM 644 OE2 GLU A 50 -1.991 -3.684 -20.038 1.00 0.00 O ATOM 0 H GLU A 50 -3.777 -7.978 -18.398 1.00 0.00 H new ATOM 0 HA GLU A 50 -1.282 -7.298 -19.492 1.00 0.00 H new ATOM 0 HB2 GLU A 50 -2.664 -6.727 -16.837 1.00 0.00 H new ATOM 0 HB3 GLU A 50 -1.087 -6.060 -17.210 1.00 0.00 H new ATOM 0 HG2 GLU A 50 -3.450 -5.755 -19.124 1.00 0.00 H new ATOM 0 HG3 GLU A 50 -3.159 -4.607 -17.832 1.00 0.00 H new ATOM 651 N VAL A 51 -1.152 -9.254 -16.823 1.00 0.00 N ATOM 652 CA VAL A 51 -0.276 -10.156 -16.086 1.00 0.00 C ATOM 653 C VAL A 51 -0.034 -11.437 -16.880 1.00 0.00 C ATOM 654 O VAL A 51 0.804 -12.258 -16.509 1.00 0.00 O ATOM 655 CB VAL A 51 -0.894 -10.503 -14.729 1.00 0.00 C ATOM 656 CG1 VAL A 51 -1.043 -9.229 -13.888 1.00 0.00 C ATOM 657 CG2 VAL A 51 -2.269 -11.140 -14.940 1.00 0.00 C ATOM 0 H VAL A 51 -2.111 -9.215 -16.478 1.00 0.00 H new ATOM 0 HA VAL A 51 0.678 -9.652 -15.929 1.00 0.00 H new ATOM 0 HB VAL A 51 -0.245 -11.206 -14.207 1.00 0.00 H new ATOM 0 HG11 VAL A 51 -1.483 -9.480 -12.923 1.00 0.00 H new ATOM 0 HG12 VAL A 51 -0.063 -8.778 -13.734 1.00 0.00 H new ATOM 0 HG13 VAL A 51 -1.689 -8.523 -14.409 1.00 0.00 H new ATOM 0 HG21 VAL A 51 -2.708 -11.387 -13.973 1.00 0.00 H new ATOM 0 HG22 VAL A 51 -2.918 -10.439 -15.465 1.00 0.00 H new ATOM 0 HG23 VAL A 51 -2.162 -12.049 -15.532 1.00 0.00 H new ATOM 667 N GLY A 52 -0.773 -11.599 -17.971 1.00 0.00 N ATOM 668 CA GLY A 52 -0.630 -12.784 -18.809 1.00 0.00 C ATOM 669 C GLY A 52 -0.683 -14.054 -17.967 1.00 0.00 C ATOM 670 O GLY A 52 0.215 -14.894 -18.036 1.00 0.00 O ATOM 0 H GLY A 52 -1.472 -10.931 -18.295 1.00 0.00 H new ATOM 0 HA2 GLY A 52 -1.424 -12.804 -19.556 1.00 0.00 H new ATOM 0 HA3 GLY A 52 0.315 -12.740 -19.350 1.00 0.00 H new ATOM 674 N TYR A 53 -1.742 -14.188 -17.174 1.00 0.00 N ATOM 675 CA TYR A 53 -1.904 -15.365 -16.321 1.00 0.00 C ATOM 676 C TYR A 53 -2.457 -16.535 -17.129 1.00 0.00 C ATOM 677 O TYR A 53 -3.407 -16.378 -17.895 1.00 0.00 O ATOM 678 CB TYR A 53 -2.850 -15.051 -15.160 1.00 0.00 C ATOM 679 CG TYR A 53 -2.929 -16.249 -14.241 1.00 0.00 C ATOM 680 CD1 TYR A 53 -1.831 -16.591 -13.444 1.00 0.00 C ATOM 681 CD2 TYR A 53 -4.099 -17.020 -14.189 1.00 0.00 C ATOM 682 CE1 TYR A 53 -1.902 -17.700 -12.593 1.00 0.00 C ATOM 683 CE2 TYR A 53 -4.169 -18.129 -13.337 1.00 0.00 C ATOM 684 CZ TYR A 53 -3.071 -18.469 -12.540 1.00 0.00 C ATOM 685 OH TYR A 53 -3.140 -19.563 -11.701 1.00 0.00 O ATOM 0 H TYR A 53 -2.495 -13.504 -17.103 1.00 0.00 H new ATOM 0 HA TYR A 53 -0.927 -15.638 -15.923 1.00 0.00 H new ATOM 0 HB2 TYR A 53 -2.493 -14.180 -14.611 1.00 0.00 H new ATOM 0 HB3 TYR A 53 -3.841 -14.804 -15.540 1.00 0.00 H new ATOM 0 HD1 TYR A 53 -0.929 -15.999 -13.485 1.00 0.00 H new ATOM 0 HD2 TYR A 53 -4.946 -16.759 -14.806 1.00 0.00 H new ATOM 0 HE1 TYR A 53 -1.055 -17.963 -11.977 1.00 0.00 H new ATOM 0 HE2 TYR A 53 -5.071 -18.722 -13.295 1.00 0.00 H new ATOM 0 HH TYR A 53 -4.021 -19.985 -11.785 1.00 0.00 H new ATOM 695 N LEU A 54 -1.854 -17.710 -16.950 1.00 0.00 N ATOM 696 CA LEU A 54 -2.286 -18.914 -17.665 1.00 0.00 C ATOM 697 C LEU A 54 -2.314 -20.110 -16.708 1.00 0.00 C ATOM 698 O LEU A 54 -1.555 -20.146 -15.741 1.00 0.00 O ATOM 699 CB LEU A 54 -1.309 -19.199 -18.818 1.00 0.00 C ATOM 700 CG LEU A 54 -1.573 -18.230 -19.998 1.00 0.00 C ATOM 701 CD1 LEU A 54 -0.275 -17.998 -20.781 1.00 0.00 C ATOM 702 CD2 LEU A 54 -2.622 -18.823 -20.951 1.00 0.00 C ATOM 0 H LEU A 54 -1.067 -17.855 -16.318 1.00 0.00 H new ATOM 0 HA LEU A 54 -3.288 -18.755 -18.064 1.00 0.00 H new ATOM 0 HB2 LEU A 54 -0.282 -19.088 -18.470 1.00 0.00 H new ATOM 0 HB3 LEU A 54 -1.422 -20.230 -19.153 1.00 0.00 H new ATOM 0 HG LEU A 54 -1.939 -17.287 -19.593 1.00 0.00 H new ATOM 0 HD11 LEU A 54 -0.467 -17.316 -21.609 1.00 0.00 H new ATOM 0 HD12 LEU A 54 0.476 -17.565 -20.120 1.00 0.00 H new ATOM 0 HD13 LEU A 54 0.090 -18.948 -21.171 1.00 0.00 H new ATOM 0 HD21 LEU A 54 -2.797 -18.131 -21.775 1.00 0.00 H new ATOM 0 HD22 LEU A 54 -2.260 -19.773 -21.345 1.00 0.00 H new ATOM 0 HD23 LEU A 54 -3.554 -18.986 -20.410 1.00 0.00 H new ATOM 714 N PRO A 55 -3.161 -21.085 -16.951 1.00 0.00 N ATOM 715 CA PRO A 55 -3.259 -22.292 -16.075 1.00 0.00 C ATOM 716 C PRO A 55 -2.048 -23.212 -16.235 1.00 0.00 C ATOM 717 O PRO A 55 -0.937 -22.719 -16.127 1.00 0.00 O ATOM 718 CB PRO A 55 -4.549 -22.975 -16.550 1.00 0.00 C ATOM 719 CG PRO A 55 -4.681 -22.573 -17.985 1.00 0.00 C ATOM 720 CD PRO A 55 -4.117 -21.154 -18.075 1.00 0.00 C ATOM 0 HA PRO A 55 -3.277 -22.039 -15.015 1.00 0.00 H new ATOM 0 HB2 PRO A 55 -4.486 -24.058 -16.446 1.00 0.00 H new ATOM 0 HB3 PRO A 55 -5.409 -22.648 -15.966 1.00 0.00 H new ATOM 0 HG2 PRO A 55 -4.131 -23.254 -18.634 1.00 0.00 H new ATOM 0 HG3 PRO A 55 -5.723 -22.600 -18.304 1.00 0.00 H new ATOM 0 HD2 PRO A 55 -3.624 -20.979 -19.031 1.00 0.00 H new ATOM 0 HD3 PRO A 55 -4.902 -20.404 -17.979 1.00 0.00 H new TER 728 PRO A 55