USER MOD reduce.3.24.130724 H: found=0, std=0, add=335, rem=0, adj=9 USER MOD reduce.3.24.130724 removed 339 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 8 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 13 SER OG : rot 180:sc= 0 USER MOD Single : A 15 GLN : amide:sc= 0 K(o=0,f=-0.94!) USER MOD Single : A 17 SER OG : rot 76:sc= 1.04 USER MOD Single : A 19 THR OG1 : rot 87:sc= -0.76! USER MOD Single : A 21 MET CE :methyl 165:sc=-0.00756 (180deg=-0.226) USER MOD Single : A 24 TYR OH : rot 180:sc= 0 USER MOD Single : A 28 MET CE :methyl 166:sc= -0.0084 (180deg=-0.227) USER MOD Single : A 36 THR OG1 : rot -150:sc= -1.36 USER MOD Single : A 40 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 43 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 44 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 46 THR OG1 : rot 130:sc= 0.961! USER MOD Single : A 47 SER OG : rot 180:sc= 0 USER MOD Single : A 48 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD ----------------------------------------------------------------- ATOM 1 CA PRO A 6 27.595 -32.609 46.519 1.00 0.00 C ATOM 2 C PRO A 6 27.533 -31.513 45.468 1.00 0.00 C ATOM 3 O PRO A 6 26.780 -31.608 44.501 1.00 0.00 O ATOM 5 N ALA A 7 28.335 -30.471 45.675 1.00 0.00 N ATOM 6 CA ALA A 7 28.393 -29.336 44.759 1.00 0.00 C ATOM 7 C ALA A 7 29.065 -29.738 43.456 1.00 0.00 C ATOM 8 O ALA A 7 28.667 -29.297 42.380 1.00 0.00 O ATOM 9 CB ALA A 7 29.185 -28.195 45.378 1.00 0.00 C ATOM 0 H ALA A 7 28.959 -30.390 46.478 1.00 0.00 H new ATOM 0 HA ALA A 7 27.371 -29.013 44.562 1.00 0.00 H new ATOM 0 HB1 ALA A 7 29.219 -27.356 44.683 1.00 0.00 H new ATOM 0 HB2 ALA A 7 28.705 -27.879 46.304 1.00 0.00 H new ATOM 0 HB3 ALA A 7 30.200 -28.530 45.592 1.00 0.00 H new ATOM 15 N LYS A 8 30.088 -30.582 43.573 1.00 0.00 N ATOM 16 CA LYS A 8 30.838 -31.062 42.416 1.00 0.00 C ATOM 17 C LYS A 8 29.894 -31.620 41.364 1.00 0.00 C ATOM 18 O LYS A 8 30.036 -31.339 40.176 1.00 0.00 O ATOM 19 CB LYS A 8 31.810 -32.169 42.829 1.00 0.00 C ATOM 20 CG LYS A 8 32.682 -32.685 41.696 1.00 0.00 C ATOM 21 CD LYS A 8 33.659 -33.740 42.187 1.00 0.00 C ATOM 22 CE LYS A 8 34.521 -34.266 41.051 1.00 0.00 C ATOM 23 NZ LYS A 8 35.492 -35.292 41.520 1.00 0.00 N ATOM 0 H LYS A 8 30.418 -30.950 44.465 1.00 0.00 H new ATOM 0 HA LYS A 8 31.392 -30.217 42.006 1.00 0.00 H new ATOM 0 HB2 LYS A 8 32.453 -31.795 43.626 1.00 0.00 H new ATOM 0 HB3 LYS A 8 31.241 -33.001 43.243 1.00 0.00 H new ATOM 0 HG2 LYS A 8 32.052 -33.106 40.913 1.00 0.00 H new ATOM 0 HG3 LYS A 8 33.232 -31.856 41.251 1.00 0.00 H new ATOM 0 HD2 LYS A 8 34.296 -33.316 42.963 1.00 0.00 H new ATOM 0 HD3 LYS A 8 33.109 -34.564 42.641 1.00 0.00 H new ATOM 0 HE2 LYS A 8 33.882 -34.697 40.280 1.00 0.00 H new ATOM 0 HE3 LYS A 8 35.061 -33.438 40.592 1.00 0.00 H new ATOM 0 HZ1 LYS A 8 36.061 -35.625 40.715 1.00 0.00 H new ATOM 0 HZ2 LYS A 8 36.119 -34.875 42.238 1.00 0.00 H new ATOM 0 HZ3 LYS A 8 34.976 -36.094 41.935 1.00 0.00 H new ATOM 37 N ALA A 9 28.930 -32.414 41.820 1.00 0.00 N ATOM 38 CA ALA A 9 27.942 -33.028 40.937 1.00 0.00 C ATOM 39 C ALA A 9 26.955 -31.988 40.436 1.00 0.00 C ATOM 40 O ALA A 9 26.475 -32.065 39.307 1.00 0.00 O ATOM 41 CB ALA A 9 27.168 -34.108 41.677 1.00 0.00 C ATOM 0 H ALA A 9 28.811 -32.649 42.805 1.00 0.00 H new ATOM 0 HA ALA A 9 28.476 -33.466 40.094 1.00 0.00 H new ATOM 0 HB1 ALA A 9 26.436 -34.556 41.005 1.00 0.00 H new ATOM 0 HB2 ALA A 9 27.858 -34.876 42.026 1.00 0.00 H new ATOM 0 HB3 ALA A 9 26.655 -33.667 42.531 1.00 0.00 H new ATOM 47 N ALA A 10 26.661 -31.013 41.292 1.00 0.00 N ATOM 48 CA ALA A 10 25.731 -29.939 40.962 1.00 0.00 C ATOM 49 C ALA A 10 26.315 -29.041 39.884 1.00 0.00 C ATOM 50 O ALA A 10 25.644 -28.704 38.911 1.00 0.00 O ATOM 51 CB ALA A 10 25.443 -29.091 42.191 1.00 0.00 C ATOM 0 H ALA A 10 27.059 -30.946 42.229 1.00 0.00 H new ATOM 0 HA ALA A 10 24.809 -30.395 40.602 1.00 0.00 H new ATOM 0 HB1 ALA A 10 24.747 -28.294 41.928 1.00 0.00 H new ATOM 0 HB2 ALA A 10 25.003 -29.715 42.969 1.00 0.00 H new ATOM 0 HB3 ALA A 10 26.372 -28.655 42.558 1.00 0.00 H new ATOM 57 N PHE A 11 27.576 -28.661 40.073 1.00 0.00 N ATOM 58 CA PHE A 11 28.281 -27.798 39.129 1.00 0.00 C ATOM 59 C PHE A 11 28.645 -28.572 37.873 1.00 0.00 C ATOM 60 O PHE A 11 28.501 -28.071 36.759 1.00 0.00 O ATOM 61 CB PHE A 11 29.568 -27.258 39.755 1.00 0.00 C ATOM 62 CG PHE A 11 30.333 -26.326 38.859 1.00 0.00 C ATOM 63 CD1 PHE A 11 29.928 -25.013 38.694 1.00 0.00 C ATOM 64 CD2 PHE A 11 31.459 -26.763 38.182 1.00 0.00 C ATOM 65 CE1 PHE A 11 30.632 -24.156 37.870 1.00 0.00 C ATOM 66 CE2 PHE A 11 32.163 -25.905 37.358 1.00 0.00 C ATOM 67 CZ PHE A 11 31.754 -24.607 37.200 1.00 0.00 C ATOM 0 H PHE A 11 28.135 -28.940 40.879 1.00 0.00 H new ATOM 0 HA PHE A 11 27.619 -26.970 38.875 1.00 0.00 H new ATOM 0 HB2 PHE A 11 29.320 -26.737 40.680 1.00 0.00 H new ATOM 0 HB3 PHE A 11 30.210 -28.097 40.024 1.00 0.00 H new ATOM 0 HD1 PHE A 11 29.052 -24.654 39.215 1.00 0.00 H new ATOM 0 HD2 PHE A 11 31.790 -27.784 38.299 1.00 0.00 H new ATOM 0 HE1 PHE A 11 30.306 -23.134 37.749 1.00 0.00 H new ATOM 0 HE2 PHE A 11 33.040 -26.260 36.836 1.00 0.00 H new ATOM 0 HZ PHE A 11 32.306 -23.939 36.555 1.00 0.00 H new ATOM 77 N ASP A 12 29.118 -29.799 38.071 1.00 0.00 N ATOM 78 CA ASP A 12 29.514 -30.671 36.968 1.00 0.00 C ATOM 79 C ASP A 12 28.289 -31.181 36.226 1.00 0.00 C ATOM 80 O ASP A 12 28.296 -31.298 35.003 1.00 0.00 O ATOM 81 CB ASP A 12 30.298 -31.876 37.492 1.00 0.00 C ATOM 82 CG ASP A 12 30.914 -32.699 36.379 1.00 0.00 C ATOM 83 OD1 ASP A 12 31.676 -32.129 35.570 1.00 0.00 O ATOM 84 OD2 ASP A 12 30.636 -33.915 36.314 1.00 0.00 O ATOM 0 H ASP A 12 29.237 -30.216 38.994 1.00 0.00 H new ATOM 0 HA ASP A 12 30.140 -30.088 36.292 1.00 0.00 H new ATOM 0 HB2 ASP A 12 31.086 -31.529 38.161 1.00 0.00 H new ATOM 0 HB3 ASP A 12 29.634 -32.508 38.082 1.00 0.00 H new ATOM 90 N SER A 13 27.240 -31.480 36.986 1.00 0.00 N ATOM 91 CA SER A 13 25.988 -31.982 36.427 1.00 0.00 C ATOM 92 C SER A 13 25.337 -30.925 35.549 1.00 0.00 C ATOM 93 O SER A 13 24.875 -31.217 34.447 1.00 0.00 O ATOM 94 CB SER A 13 25.012 -32.351 37.546 1.00 0.00 C ATOM 95 OG SER A 13 23.791 -32.840 37.017 1.00 0.00 O ATOM 0 H SER A 13 27.233 -31.382 38.001 1.00 0.00 H new ATOM 0 HA SER A 13 26.219 -32.866 35.832 1.00 0.00 H new ATOM 0 HB2 SER A 13 25.461 -33.107 38.190 1.00 0.00 H new ATOM 0 HB3 SER A 13 24.819 -31.477 38.167 1.00 0.00 H new ATOM 0 HG SER A 13 23.185 -33.070 37.752 1.00 0.00 H new ATOM 101 N LEU A 14 25.308 -29.695 36.054 1.00 0.00 N ATOM 102 CA LEU A 14 24.719 -28.568 35.335 1.00 0.00 C ATOM 103 C LEU A 14 25.507 -28.273 34.070 1.00 0.00 C ATOM 104 O LEU A 14 24.937 -28.112 32.994 1.00 0.00 O ATOM 105 CB LEU A 14 24.723 -27.313 36.210 1.00 0.00 C ATOM 106 CG LEU A 14 24.113 -26.053 35.592 1.00 0.00 C ATOM 107 CD1 LEU A 14 22.634 -26.258 35.302 1.00 0.00 C ATOM 108 CD2 LEU A 14 24.254 -24.869 36.536 1.00 0.00 C ATOM 0 H LEU A 14 25.690 -29.451 36.968 1.00 0.00 H new ATOM 0 HA LEU A 14 23.694 -28.837 35.078 1.00 0.00 H new ATOM 0 HB2 LEU A 14 24.185 -27.537 37.131 1.00 0.00 H new ATOM 0 HB3 LEU A 14 25.754 -27.093 36.488 1.00 0.00 H new ATOM 0 HG LEU A 14 24.648 -25.853 34.664 1.00 0.00 H new ATOM 0 HD11 LEU A 14 22.220 -25.350 34.863 1.00 0.00 H new ATOM 0 HD12 LEU A 14 22.511 -27.087 34.605 1.00 0.00 H new ATOM 0 HD13 LEU A 14 22.109 -26.484 36.230 1.00 0.00 H new ATOM 0 HD21 LEU A 14 23.814 -23.984 36.077 1.00 0.00 H new ATOM 0 HD22 LEU A 14 23.739 -25.087 37.472 1.00 0.00 H new ATOM 0 HD23 LEU A 14 25.310 -24.687 36.736 1.00 0.00 H new ATOM 120 N GLN A 15 26.828 -28.205 34.219 1.00 0.00 N ATOM 121 CA GLN A 15 27.726 -27.927 33.101 1.00 0.00 C ATOM 122 C GLN A 15 27.489 -28.916 31.971 1.00 0.00 C ATOM 123 O GLN A 15 27.485 -28.547 30.799 1.00 0.00 O ATOM 124 CB GLN A 15 29.186 -28.040 33.545 1.00 0.00 C ATOM 125 CG GLN A 15 30.193 -27.684 32.464 1.00 0.00 C ATOM 126 CD GLN A 15 31.625 -27.744 32.959 1.00 0.00 C ATOM 127 OE1 GLN A 15 31.877 -28.069 34.119 1.00 0.00 O ATOM 128 NE2 GLN A 15 32.568 -27.430 32.078 1.00 0.00 N ATOM 0 H GLN A 15 27.303 -28.340 35.111 1.00 0.00 H new ATOM 0 HA GLN A 15 27.523 -26.914 32.755 1.00 0.00 H new ATOM 0 HB2 GLN A 15 29.345 -27.387 34.404 1.00 0.00 H new ATOM 0 HB3 GLN A 15 29.375 -29.060 33.880 1.00 0.00 H new ATOM 0 HG2 GLN A 15 30.074 -28.367 31.623 1.00 0.00 H new ATOM 0 HG3 GLN A 15 29.983 -26.681 32.093 1.00 0.00 H new ATOM 0 HE21 GLN A 15 32.310 -27.167 31.127 1.00 0.00 H new ATOM 0 HE22 GLN A 15 33.550 -27.452 32.352 1.00 0.00 H new ATOM 137 N ALA A 16 27.295 -30.179 32.345 1.00 0.00 N ATOM 138 CA ALA A 16 27.054 -31.249 31.380 1.00 0.00 C ATOM 139 C ALA A 16 25.661 -31.128 30.787 1.00 0.00 C ATOM 140 O ALA A 16 25.484 -31.188 29.572 1.00 0.00 O ATOM 141 CB ALA A 16 27.174 -32.607 32.054 1.00 0.00 C ATOM 0 H ALA A 16 27.300 -30.488 33.317 1.00 0.00 H new ATOM 0 HA ALA A 16 27.800 -31.159 30.590 1.00 0.00 H new ATOM 0 HB1 ALA A 16 26.992 -33.394 31.322 1.00 0.00 H new ATOM 0 HB2 ALA A 16 28.176 -32.721 32.467 1.00 0.00 H new ATOM 0 HB3 ALA A 16 26.440 -32.681 32.857 1.00 0.00 H new ATOM 147 N SER A 17 24.676 -30.959 31.664 1.00 0.00 N ATOM 148 CA SER A 17 23.280 -30.826 31.255 1.00 0.00 C ATOM 149 C SER A 17 23.120 -29.672 30.278 1.00 0.00 C ATOM 150 O SER A 17 22.591 -29.845 29.182 1.00 0.00 O ATOM 151 CB SER A 17 22.389 -30.559 32.470 1.00 0.00 C ATOM 152 OG SER A 17 22.371 -31.674 33.344 1.00 0.00 O ATOM 0 H SER A 17 24.821 -30.910 32.673 1.00 0.00 H new ATOM 0 HA SER A 17 22.983 -31.759 30.777 1.00 0.00 H new ATOM 0 HB2 SER A 17 22.751 -29.680 33.004 1.00 0.00 H new ATOM 0 HB3 SER A 17 21.375 -30.336 32.139 1.00 0.00 H new ATOM 0 HG SER A 17 23.207 -31.703 33.854 1.00 0.00 H new ATOM 158 N ALA A 18 23.587 -28.497 30.691 1.00 0.00 N ATOM 159 CA ALA A 18 23.510 -27.294 29.870 1.00 0.00 C ATOM 160 C ALA A 18 24.453 -27.397 28.684 1.00 0.00 C ATOM 161 O ALA A 18 24.197 -26.835 27.622 1.00 0.00 O ATOM 162 CB ALA A 18 23.895 -26.070 30.686 1.00 0.00 C ATOM 0 H ALA A 18 24.027 -28.353 31.600 1.00 0.00 H new ATOM 0 HA ALA A 18 22.483 -27.197 29.517 1.00 0.00 H new ATOM 0 HB1 ALA A 18 23.833 -25.180 30.059 1.00 0.00 H new ATOM 0 HB2 ALA A 18 23.214 -25.967 31.531 1.00 0.00 H new ATOM 0 HB3 ALA A 18 24.915 -26.184 31.054 1.00 0.00 H new ATOM 168 N THR A 19 25.551 -28.124 28.883 1.00 0.00 N ATOM 169 CA THR A 19 26.557 -28.320 27.844 1.00 0.00 C ATOM 170 C THR A 19 26.052 -29.295 26.792 1.00 0.00 C ATOM 171 O THR A 19 26.076 -29.003 25.598 1.00 0.00 O ATOM 172 CB THR A 19 27.866 -28.886 28.425 1.00 0.00 C ATOM 173 OG1 THR A 19 28.412 -27.959 29.371 1.00 0.00 O ATOM 174 CG2 THR A 19 28.884 -29.118 27.319 1.00 0.00 C ATOM 0 H THR A 19 25.767 -28.591 29.764 1.00 0.00 H new ATOM 0 HA THR A 19 26.748 -27.343 27.400 1.00 0.00 H new ATOM 0 HB THR A 19 27.645 -29.835 28.914 1.00 0.00 H new ATOM 0 HG1 THR A 19 28.027 -28.130 30.256 1.00 0.00 H new ATOM 0 HG21 THR A 19 29.803 -29.518 27.748 1.00 0.00 H new ATOM 0 HG22 THR A 19 28.481 -29.828 26.597 1.00 0.00 H new ATOM 0 HG23 THR A 19 29.099 -28.174 26.818 1.00 0.00 H new ATOM 182 N GLU A 20 25.597 -30.455 27.256 1.00 0.00 N ATOM 183 CA GLU A 20 25.078 -31.498 26.375 1.00 0.00 C ATOM 184 C GLU A 20 23.853 -31.003 25.627 1.00 0.00 C ATOM 185 O GLU A 20 23.698 -31.251 24.434 1.00 0.00 O ATOM 186 CB GLU A 20 24.683 -32.735 27.184 1.00 0.00 C ATOM 187 CG GLU A 20 25.860 -33.486 27.785 1.00 0.00 C ATOM 188 CD GLU A 20 25.427 -34.673 28.622 1.00 0.00 C ATOM 189 OE1 GLU A 20 24.205 -34.879 28.775 1.00 0.00 O ATOM 190 OE2 GLU A 20 26.310 -35.399 29.126 1.00 0.00 O ATOM 0 H GLU A 20 25.577 -30.698 28.246 1.00 0.00 H new ATOM 0 HA GLU A 20 25.865 -31.755 25.666 1.00 0.00 H new ATOM 0 HB2 GLU A 20 24.011 -32.431 27.987 1.00 0.00 H new ATOM 0 HB3 GLU A 20 24.124 -33.414 26.540 1.00 0.00 H new ATOM 0 HG2 GLU A 20 26.514 -33.830 26.984 1.00 0.00 H new ATOM 0 HG3 GLU A 20 26.444 -32.804 28.403 1.00 0.00 H new ATOM 198 N MET A 21 22.986 -30.298 26.349 1.00 0.00 N ATOM 199 CA MET A 21 21.758 -29.752 25.777 1.00 0.00 C ATOM 200 C MET A 21 22.081 -28.707 24.721 1.00 0.00 C ATOM 201 O MET A 21 21.407 -28.617 23.697 1.00 0.00 O ATOM 202 CB MET A 21 20.907 -29.093 26.865 1.00 0.00 C ATOM 203 CG MET A 21 19.567 -28.570 26.373 1.00 0.00 C ATOM 204 SD MET A 21 18.473 -29.885 25.803 1.00 0.00 S ATOM 205 CE MET A 21 18.031 -30.655 27.359 1.00 0.00 C ATOM 0 H MET A 21 23.113 -30.090 27.339 1.00 0.00 H new ATOM 0 HA MET A 21 21.207 -30.577 25.325 1.00 0.00 H new ATOM 0 HB2 MET A 21 20.732 -29.816 27.662 1.00 0.00 H new ATOM 0 HB3 MET A 21 21.469 -28.267 27.301 1.00 0.00 H new ATOM 0 HG2 MET A 21 19.079 -28.020 27.178 1.00 0.00 H new ATOM 0 HG3 MET A 21 19.734 -27.864 25.560 1.00 0.00 H new ATOM 0 HE1 MET A 21 17.167 -31.303 27.212 1.00 0.00 H new ATOM 0 HE2 MET A 21 18.870 -31.247 27.723 1.00 0.00 H new ATOM 0 HE3 MET A 21 17.786 -29.884 28.090 1.00 0.00 H new ATOM 215 N ILE A 22 23.120 -27.923 24.988 1.00 0.00 N ATOM 216 CA ILE A 22 23.559 -26.871 24.075 1.00 0.00 C ATOM 217 C ILE A 22 23.887 -27.455 22.711 1.00 0.00 C ATOM 218 O ILE A 22 23.702 -26.803 21.685 1.00 0.00 O ATOM 219 CB ILE A 22 24.818 -26.157 24.600 1.00 0.00 C ATOM 220 CG1 ILE A 22 25.048 -24.850 23.838 1.00 0.00 C ATOM 221 CG2 ILE A 22 26.044 -27.040 24.423 1.00 0.00 C ATOM 222 CD1 ILE A 22 26.074 -23.942 24.479 1.00 0.00 C ATOM 0 H ILE A 22 23.679 -27.997 25.838 1.00 0.00 H new ATOM 0 HA ILE A 22 22.740 -26.155 23.998 1.00 0.00 H new ATOM 0 HB ILE A 22 24.665 -25.946 25.658 1.00 0.00 H new ATOM 0 HG12 ILE A 22 25.367 -25.084 22.822 1.00 0.00 H new ATOM 0 HG13 ILE A 22 24.102 -24.315 23.759 1.00 0.00 H new ATOM 0 HG21 ILE A 22 26.925 -26.520 24.799 1.00 0.00 H new ATOM 0 HG22 ILE A 22 25.907 -27.968 24.977 1.00 0.00 H new ATOM 0 HG23 ILE A 22 26.180 -27.266 23.365 1.00 0.00 H new ATOM 0 HD11 ILE A 22 26.182 -23.037 23.882 1.00 0.00 H new ATOM 0 HD12 ILE A 22 25.747 -23.677 25.485 1.00 0.00 H new ATOM 0 HD13 ILE A 22 27.033 -24.458 24.533 1.00 0.00 H new ATOM 234 N GLY A 23 24.380 -28.690 22.717 1.00 0.00 N ATOM 235 CA GLY A 23 24.746 -29.391 21.490 1.00 0.00 C ATOM 236 C GLY A 23 23.501 -29.787 20.711 1.00 0.00 C ATOM 237 O GLY A 23 23.511 -29.821 19.483 1.00 0.00 O ATOM 0 H GLY A 23 24.537 -29.231 23.568 1.00 0.00 H new ATOM 0 HA2 GLY A 23 25.379 -28.752 20.874 1.00 0.00 H new ATOM 0 HA3 GLY A 23 25.329 -30.280 21.732 1.00 0.00 H new ATOM 241 N TYR A 24 22.435 -30.085 21.446 1.00 0.00 N ATOM 242 CA TYR A 24 21.163 -30.484 20.850 1.00 0.00 C ATOM 243 C TYR A 24 20.565 -29.337 20.054 1.00 0.00 C ATOM 244 O TYR A 24 20.117 -29.519 18.924 1.00 0.00 O ATOM 245 CB TYR A 24 20.166 -30.889 21.937 1.00 0.00 C ATOM 246 CG TYR A 24 20.451 -32.238 22.558 1.00 0.00 C ATOM 247 CD1 TYR A 24 20.039 -33.409 21.935 1.00 0.00 C ATOM 248 CD2 TYR A 24 21.132 -32.336 23.765 1.00 0.00 C ATOM 249 CE1 TYR A 24 20.296 -34.646 22.496 1.00 0.00 C ATOM 250 CE2 TYR A 24 21.397 -33.564 24.340 1.00 0.00 C ATOM 251 CZ TYR A 24 20.981 -34.716 23.708 1.00 0.00 C ATOM 252 OH TYR A 24 21.244 -35.940 24.279 1.00 0.00 O ATOM 0 H TYR A 24 22.427 -30.057 22.466 1.00 0.00 H new ATOM 0 HA TYR A 24 21.356 -31.330 20.191 1.00 0.00 H new ATOM 0 HB2 TYR A 24 20.170 -30.131 22.720 1.00 0.00 H new ATOM 0 HB3 TYR A 24 19.163 -30.901 21.510 1.00 0.00 H new ATOM 0 HD1 TYR A 24 19.509 -33.352 20.996 1.00 0.00 H new ATOM 0 HD2 TYR A 24 21.460 -31.436 24.263 1.00 0.00 H new ATOM 0 HE1 TYR A 24 19.970 -35.548 22.001 1.00 0.00 H new ATOM 0 HE2 TYR A 24 21.927 -33.621 25.279 1.00 0.00 H new ATOM 0 HH TYR A 24 21.730 -35.811 25.120 1.00 0.00 H new ATOM 262 N ALA A 25 20.567 -28.153 20.660 1.00 0.00 N ATOM 263 CA ALA A 25 20.029 -26.951 20.029 1.00 0.00 C ATOM 264 C ALA A 25 20.771 -26.650 18.737 1.00 0.00 C ATOM 265 O ALA A 25 20.158 -26.412 17.699 1.00 0.00 O ATOM 266 CB ALA A 25 20.173 -25.755 20.957 1.00 0.00 C ATOM 0 H ALA A 25 20.939 -28.000 21.597 1.00 0.00 H new ATOM 0 HA ALA A 25 18.975 -27.130 19.816 1.00 0.00 H new ATOM 0 HB1 ALA A 25 19.767 -24.867 20.472 1.00 0.00 H new ATOM 0 HB2 ALA A 25 19.628 -25.944 21.882 1.00 0.00 H new ATOM 0 HB3 ALA A 25 21.227 -25.595 21.183 1.00 0.00 H new ATOM 272 N TRP A 26 22.099 -26.665 18.820 1.00 0.00 N ATOM 273 CA TRP A 26 22.953 -26.397 17.668 1.00 0.00 C ATOM 274 C TRP A 26 22.734 -27.443 16.587 1.00 0.00 C ATOM 275 O TRP A 26 22.649 -27.119 15.404 1.00 0.00 O ATOM 276 CB TRP A 26 24.427 -26.425 18.076 1.00 0.00 C ATOM 277 CG TRP A 26 25.368 -26.148 16.944 1.00 0.00 C ATOM 278 CD1 TRP A 26 26.136 -27.057 16.275 1.00 0.00 C ATOM 279 CD2 TRP A 26 25.641 -24.875 16.346 1.00 0.00 C ATOM 280 NE1 TRP A 26 26.871 -26.430 15.298 1.00 0.00 N ATOM 281 CE2 TRP A 26 26.585 -25.088 15.322 1.00 0.00 C ATOM 282 CE3 TRP A 26 25.181 -23.575 16.577 1.00 0.00 C ATOM 283 CZ2 TRP A 26 27.076 -24.051 14.530 1.00 0.00 C ATOM 284 CZ3 TRP A 26 25.670 -22.550 15.790 1.00 0.00 C ATOM 285 CH2 TRP A 26 26.607 -22.790 14.779 1.00 0.00 C ATOM 0 H TRP A 26 22.609 -26.862 19.681 1.00 0.00 H new ATOM 0 HA TRP A 26 22.693 -25.410 17.285 1.00 0.00 H new ATOM 0 HB2 TRP A 26 24.592 -25.689 18.863 1.00 0.00 H new ATOM 0 HB3 TRP A 26 24.659 -27.402 18.500 1.00 0.00 H new ATOM 0 HD1 TRP A 26 26.162 -28.116 16.484 1.00 0.00 H new ATOM 0 HE1 TRP A 26 27.522 -26.887 14.660 1.00 0.00 H new ATOM 0 HE3 TRP A 26 24.458 -23.376 17.355 1.00 0.00 H new ATOM 0 HZ2 TRP A 26 27.799 -24.236 13.749 1.00 0.00 H new ATOM 0 HZ3 TRP A 26 25.321 -21.542 15.959 1.00 0.00 H new ATOM 0 HH2 TRP A 26 26.967 -21.964 14.184 1.00 0.00 H new ATOM 296 N ALA A 27 22.645 -28.699 17.012 1.00 0.00 N ATOM 297 CA ALA A 27 22.435 -29.819 16.099 1.00 0.00 C ATOM 298 C ALA A 27 21.056 -29.735 15.463 1.00 0.00 C ATOM 299 O ALA A 27 20.908 -29.901 14.255 1.00 0.00 O ATOM 300 CB ALA A 27 22.542 -31.139 16.846 1.00 0.00 C ATOM 0 H ALA A 27 22.716 -28.969 17.993 1.00 0.00 H new ATOM 0 HA ALA A 27 23.202 -29.768 15.326 1.00 0.00 H new ATOM 0 HB1 ALA A 27 22.383 -31.964 16.152 1.00 0.00 H new ATOM 0 HB2 ALA A 27 23.533 -31.226 17.292 1.00 0.00 H new ATOM 0 HB3 ALA A 27 21.787 -31.175 17.631 1.00 0.00 H new ATOM 306 N MET A 28 20.053 -29.478 16.297 1.00 0.00 N ATOM 307 CA MET A 28 18.670 -29.365 15.843 1.00 0.00 C ATOM 308 C MET A 28 18.485 -28.112 15.003 1.00 0.00 C ATOM 309 O MET A 28 17.934 -28.163 13.906 1.00 0.00 O ATOM 310 CB MET A 28 17.718 -29.290 17.038 1.00 0.00 C ATOM 311 CG MET A 28 16.248 -29.231 16.658 1.00 0.00 C ATOM 312 SD MET A 28 15.159 -29.175 18.094 1.00 0.00 S ATOM 313 CE MET A 28 15.489 -27.524 18.706 1.00 0.00 C ATOM 0 H MET A 28 20.174 -29.343 17.301 1.00 0.00 H new ATOM 0 HA MET A 28 18.445 -30.248 15.245 1.00 0.00 H new ATOM 0 HB2 MET A 28 17.883 -30.159 17.675 1.00 0.00 H new ATOM 0 HB3 MET A 28 17.965 -28.409 17.630 1.00 0.00 H new ATOM 0 HG2 MET A 28 16.072 -28.351 16.039 1.00 0.00 H new ATOM 0 HG3 MET A 28 15.999 -30.102 16.052 1.00 0.00 H new ATOM 0 HE1 MET A 28 14.724 -27.245 19.431 1.00 0.00 H new ATOM 0 HE2 MET A 28 16.468 -27.502 19.185 1.00 0.00 H new ATOM 0 HE3 MET A 28 15.476 -26.819 17.875 1.00 0.00 H new ATOM 323 N VAL A 29 18.955 -26.987 15.538 1.00 0.00 N ATOM 324 CA VAL A 29 18.856 -25.700 14.858 1.00 0.00 C ATOM 325 C VAL A 29 19.656 -25.717 13.566 1.00 0.00 C ATOM 326 O VAL A 29 19.160 -25.325 12.512 1.00 0.00 O ATOM 327 CB VAL A 29 19.397 -24.555 15.735 1.00 0.00 C ATOM 328 CG1 VAL A 29 19.476 -23.264 14.935 1.00 0.00 C ATOM 329 CG2 VAL A 29 18.487 -24.325 16.931 1.00 0.00 C ATOM 0 H VAL A 29 19.412 -26.943 16.449 1.00 0.00 H new ATOM 0 HA VAL A 29 17.799 -25.532 14.651 1.00 0.00 H new ATOM 0 HB VAL A 29 20.392 -24.840 16.077 1.00 0.00 H new ATOM 0 HG11 VAL A 29 19.860 -22.466 15.570 1.00 0.00 H new ATOM 0 HG12 VAL A 29 20.143 -23.404 14.084 1.00 0.00 H new ATOM 0 HG13 VAL A 29 18.482 -22.996 14.577 1.00 0.00 H new ATOM 0 HG21 VAL A 29 18.884 -23.513 17.540 1.00 0.00 H new ATOM 0 HG22 VAL A 29 17.488 -24.062 16.583 1.00 0.00 H new ATOM 0 HG23 VAL A 29 18.435 -25.235 17.529 1.00 0.00 H new ATOM 339 N VAL A 30 20.901 -26.176 13.666 1.00 0.00 N ATOM 340 CA VAL A 30 21.797 -26.256 12.518 1.00 0.00 C ATOM 341 C VAL A 30 21.178 -27.101 11.416 1.00 0.00 C ATOM 342 O VAL A 30 21.253 -26.757 10.239 1.00 0.00 O ATOM 343 CB VAL A 30 23.147 -26.891 12.899 1.00 0.00 C ATOM 344 CG1 VAL A 30 23.981 -27.156 11.655 1.00 0.00 C ATOM 345 CG2 VAL A 30 23.932 -25.965 13.816 1.00 0.00 C ATOM 0 H VAL A 30 21.314 -26.501 14.540 1.00 0.00 H new ATOM 0 HA VAL A 30 21.959 -25.235 12.172 1.00 0.00 H new ATOM 0 HB VAL A 30 22.939 -27.830 13.412 1.00 0.00 H new ATOM 0 HG11 VAL A 30 24.932 -27.605 11.943 1.00 0.00 H new ATOM 0 HG12 VAL A 30 23.444 -27.837 10.995 1.00 0.00 H new ATOM 0 HG13 VAL A 30 24.166 -26.217 11.134 1.00 0.00 H new ATOM 0 HG21 VAL A 30 24.883 -26.430 14.075 1.00 0.00 H new ATOM 0 HG22 VAL A 30 24.117 -25.019 13.306 1.00 0.00 H new ATOM 0 HG23 VAL A 30 23.359 -25.781 14.725 1.00 0.00 H new ATOM 355 N VAL A 31 20.567 -28.212 11.820 1.00 0.00 N ATOM 356 CA VAL A 31 19.922 -29.131 10.886 1.00 0.00 C ATOM 357 C VAL A 31 18.621 -28.539 10.367 1.00 0.00 C ATOM 358 O VAL A 31 18.360 -28.545 9.167 1.00 0.00 O ATOM 359 CB VAL A 31 19.594 -30.478 11.556 1.00 0.00 C ATOM 360 CG1 VAL A 31 18.762 -31.347 10.625 1.00 0.00 C ATOM 361 CG2 VAL A 31 20.872 -31.228 11.898 1.00 0.00 C ATOM 0 H VAL A 31 20.505 -28.499 12.797 1.00 0.00 H new ATOM 0 HA VAL A 31 20.623 -29.292 10.067 1.00 0.00 H new ATOM 0 HB VAL A 31 19.033 -30.268 12.467 1.00 0.00 H new ATOM 0 HG11 VAL A 31 18.539 -32.295 11.114 1.00 0.00 H new ATOM 0 HG12 VAL A 31 17.830 -30.835 10.385 1.00 0.00 H new ATOM 0 HG13 VAL A 31 19.320 -31.535 9.707 1.00 0.00 H new ATOM 0 HG21 VAL A 31 20.621 -32.178 12.371 1.00 0.00 H new ATOM 0 HG22 VAL A 31 21.439 -31.415 10.986 1.00 0.00 H new ATOM 0 HG23 VAL A 31 21.473 -30.629 12.583 1.00 0.00 H new ATOM 371 N ILE A 32 17.815 -28.027 11.292 1.00 0.00 N ATOM 372 CA ILE A 32 16.530 -27.421 10.957 1.00 0.00 C ATOM 373 C ILE A 32 16.729 -26.214 10.055 1.00 0.00 C ATOM 374 O ILE A 32 16.107 -26.103 9.001 1.00 0.00 O ATOM 375 CB ILE A 32 15.782 -26.951 12.218 1.00 0.00 C ATOM 376 CG1 ILE A 32 15.357 -28.152 13.065 1.00 0.00 C ATOM 377 CG2 ILE A 32 14.536 -26.166 11.837 1.00 0.00 C ATOM 378 CD1 ILE A 32 14.837 -27.779 14.436 1.00 0.00 C ATOM 0 H ILE A 32 18.032 -28.020 12.289 1.00 0.00 H new ATOM 0 HA ILE A 32 15.943 -28.186 10.448 1.00 0.00 H new ATOM 0 HB ILE A 32 16.459 -26.315 12.789 1.00 0.00 H new ATOM 0 HG12 ILE A 32 14.584 -28.706 12.532 1.00 0.00 H new ATOM 0 HG13 ILE A 32 16.208 -28.823 13.180 1.00 0.00 H new ATOM 0 HG21 ILE A 32 14.020 -25.842 12.741 1.00 0.00 H new ATOM 0 HG22 ILE A 32 14.821 -25.294 11.249 1.00 0.00 H new ATOM 0 HG23 ILE A 32 13.873 -26.799 11.248 1.00 0.00 H new ATOM 0 HD11 ILE A 32 14.556 -28.683 14.977 1.00 0.00 H new ATOM 0 HD12 ILE A 32 15.615 -27.252 14.989 1.00 0.00 H new ATOM 0 HD13 ILE A 32 13.965 -27.133 14.331 1.00 0.00 H new ATOM 390 N VAL A 33 17.608 -25.312 10.487 1.00 0.00 N ATOM 391 CA VAL A 33 17.912 -24.099 9.737 1.00 0.00 C ATOM 392 C VAL A 33 18.787 -24.420 8.535 1.00 0.00 C ATOM 393 O VAL A 33 18.515 -23.980 7.421 1.00 0.00 O ATOM 394 CB VAL A 33 18.660 -23.071 10.606 1.00 0.00 C ATOM 395 CG1 VAL A 33 19.128 -21.897 9.758 1.00 0.00 C ATOM 396 CG2 VAL A 33 17.752 -22.539 11.704 1.00 0.00 C ATOM 0 H VAL A 33 18.126 -25.402 11.361 1.00 0.00 H new ATOM 0 HA VAL A 33 16.959 -23.679 9.415 1.00 0.00 H new ATOM 0 HB VAL A 33 19.520 -23.574 11.049 1.00 0.00 H new ATOM 0 HG11 VAL A 33 19.655 -21.180 10.388 1.00 0.00 H new ATOM 0 HG12 VAL A 33 19.799 -22.256 8.978 1.00 0.00 H new ATOM 0 HG13 VAL A 33 18.266 -21.413 9.300 1.00 0.00 H new ATOM 0 HG21 VAL A 33 18.298 -21.814 12.308 1.00 0.00 H new ATOM 0 HG22 VAL A 33 16.883 -22.057 11.256 1.00 0.00 H new ATOM 0 HG23 VAL A 33 17.424 -23.364 12.336 1.00 0.00 H new ATOM 406 N GLY A 34 19.839 -25.194 8.782 1.00 0.00 N ATOM 407 CA GLY A 34 20.776 -25.593 7.735 1.00 0.00 C ATOM 408 C GLY A 34 20.158 -26.661 6.847 1.00 0.00 C ATOM 409 O GLY A 34 20.128 -26.525 5.626 1.00 0.00 O ATOM 0 H GLY A 34 20.066 -25.561 9.706 1.00 0.00 H new ATOM 0 HA2 GLY A 34 21.050 -24.726 7.134 1.00 0.00 H new ATOM 0 HA3 GLY A 34 21.694 -25.972 8.185 1.00 0.00 H new ATOM 413 N ALA A 35 19.665 -27.721 7.480 1.00 0.00 N ATOM 414 CA ALA A 35 19.038 -28.833 6.770 1.00 0.00 C ATOM 415 C ALA A 35 17.691 -28.411 6.203 1.00 0.00 C ATOM 416 O ALA A 35 17.441 -28.541 5.007 1.00 0.00 O ATOM 417 CB ALA A 35 18.818 -30.007 7.712 1.00 0.00 C ATOM 0 H ALA A 35 19.688 -27.834 8.493 1.00 0.00 H new ATOM 0 HA ALA A 35 19.703 -29.129 5.959 1.00 0.00 H new ATOM 0 HB1 ALA A 35 18.350 -30.827 7.168 1.00 0.00 H new ATOM 0 HB2 ALA A 35 19.777 -30.337 8.112 1.00 0.00 H new ATOM 0 HB3 ALA A 35 18.169 -29.699 8.532 1.00 0.00 H new ATOM 423 N THR A 36 16.830 -27.904 7.082 1.00 0.00 N ATOM 424 CA THR A 36 15.497 -27.452 6.697 1.00 0.00 C ATOM 425 C THR A 36 15.590 -26.282 5.734 1.00 0.00 C ATOM 426 O THR A 36 15.031 -26.318 4.640 1.00 0.00 O ATOM 427 CB THR A 36 14.681 -26.995 7.920 1.00 0.00 C ATOM 428 OG1 THR A 36 14.506 -28.096 8.821 1.00 0.00 O ATOM 429 CG2 THR A 36 13.312 -26.490 7.489 1.00 0.00 C ATOM 0 H THR A 36 17.036 -27.796 8.075 1.00 0.00 H new ATOM 0 HA THR A 36 15.000 -28.299 6.223 1.00 0.00 H new ATOM 0 HB THR A 36 15.222 -26.188 8.414 1.00 0.00 H new ATOM 0 HG1 THR A 36 13.661 -27.991 9.306 1.00 0.00 H new ATOM 0 HG21 THR A 36 12.749 -26.171 8.366 1.00 0.00 H new ATOM 0 HG22 THR A 36 13.433 -25.647 6.809 1.00 0.00 H new ATOM 0 HG23 THR A 36 12.772 -27.290 6.982 1.00 0.00 H new ATOM 437 N ILE A 37 16.305 -25.243 6.158 1.00 0.00 N ATOM 438 CA ILE A 37 16.488 -24.041 5.351 1.00 0.00 C ATOM 439 C ILE A 37 17.459 -24.309 4.212 1.00 0.00 C ATOM 440 O ILE A 37 17.289 -23.800 3.105 1.00 0.00 O ATOM 441 CB ILE A 37 17.050 -22.878 6.190 1.00 0.00 C ATOM 442 CG1 ILE A 37 16.023 -22.425 7.229 1.00 0.00 C ATOM 443 CG2 ILE A 37 17.389 -21.693 5.298 1.00 0.00 C ATOM 444 CD1 ILE A 37 16.576 -21.459 8.254 1.00 0.00 C ATOM 0 H ILE A 37 16.771 -25.211 7.065 1.00 0.00 H new ATOM 0 HA ILE A 37 15.507 -23.768 4.962 1.00 0.00 H new ATOM 0 HB ILE A 37 17.951 -23.232 6.690 1.00 0.00 H new ATOM 0 HG12 ILE A 37 15.184 -21.955 6.716 1.00 0.00 H new ATOM 0 HG13 ILE A 37 15.631 -23.302 7.744 1.00 0.00 H new ATOM 0 HG21 ILE A 37 17.785 -20.880 5.907 1.00 0.00 H new ATOM 0 HG22 ILE A 37 18.136 -21.993 4.563 1.00 0.00 H new ATOM 0 HG23 ILE A 37 16.489 -21.356 4.784 1.00 0.00 H new ATOM 0 HD11 ILE A 37 15.789 -21.184 8.956 1.00 0.00 H new ATOM 0 HD12 ILE A 37 17.396 -21.932 8.795 1.00 0.00 H new ATOM 0 HD13 ILE A 37 16.942 -20.564 7.750 1.00 0.00 H new ATOM 456 N GLY A 38 18.477 -25.113 4.502 1.00 0.00 N ATOM 457 CA GLY A 38 19.496 -25.468 3.517 1.00 0.00 C ATOM 458 C GLY A 38 18.898 -26.335 2.422 1.00 0.00 C ATOM 459 O GLY A 38 19.114 -26.095 1.236 1.00 0.00 O ATOM 0 H GLY A 38 18.620 -25.535 5.420 1.00 0.00 H new ATOM 0 HA2 GLY A 38 19.920 -24.563 3.082 1.00 0.00 H new ATOM 0 HA3 GLY A 38 20.312 -26.000 4.005 1.00 0.00 H new ATOM 463 N ILE A 39 18.143 -27.349 2.839 1.00 0.00 N ATOM 464 CA ILE A 39 17.498 -28.273 1.913 1.00 0.00 C ATOM 465 C ILE A 39 16.563 -27.525 0.976 1.00 0.00 C ATOM 466 O ILE A 39 16.526 -27.791 -0.223 1.00 0.00 O ATOM 467 CB ILE A 39 16.669 -29.334 2.660 1.00 0.00 C ATOM 468 CG1 ILE A 39 17.586 -30.267 3.453 1.00 0.00 C ATOM 469 CG2 ILE A 39 15.863 -30.170 1.677 1.00 0.00 C ATOM 470 CD1 ILE A 39 18.571 -31.030 2.593 1.00 0.00 C ATOM 0 H ILE A 39 17.963 -27.551 3.822 1.00 0.00 H new ATOM 0 HA ILE A 39 18.293 -28.761 1.350 1.00 0.00 H new ATOM 0 HB ILE A 39 15.995 -28.813 3.339 1.00 0.00 H new ATOM 0 HG12 ILE A 39 18.137 -29.681 4.188 1.00 0.00 H new ATOM 0 HG13 ILE A 39 16.974 -30.979 4.007 1.00 0.00 H new ATOM 0 HG21 ILE A 39 15.283 -30.915 2.222 1.00 0.00 H new ATOM 0 HG22 ILE A 39 15.188 -29.523 1.117 1.00 0.00 H new ATOM 0 HG23 ILE A 39 16.540 -30.672 0.986 1.00 0.00 H new ATOM 0 HD11 ILE A 39 19.186 -31.670 3.225 1.00 0.00 H new ATOM 0 HD12 ILE A 39 18.028 -31.644 1.875 1.00 0.00 H new ATOM 0 HD13 ILE A 39 19.209 -30.326 2.059 1.00 0.00 H new ATOM 482 N LYS A 40 15.811 -26.587 1.545 1.00 0.00 N ATOM 483 CA LYS A 40 14.864 -25.780 0.782 1.00 0.00 C ATOM 484 C LYS A 40 15.570 -25.064 -0.357 1.00 0.00 C ATOM 485 O LYS A 40 15.086 -25.043 -1.486 1.00 0.00 O ATOM 486 CB LYS A 40 14.209 -24.729 1.681 1.00 0.00 C ATOM 487 CG LYS A 40 13.168 -23.873 0.979 1.00 0.00 C ATOM 488 CD LYS A 40 12.520 -22.892 1.941 1.00 0.00 C ATOM 489 CE LYS A 40 11.489 -22.026 1.235 1.00 0.00 C ATOM 490 NZ LYS A 40 10.837 -21.066 2.169 1.00 0.00 N ATOM 0 H LYS A 40 15.840 -26.366 2.540 1.00 0.00 H new ATOM 0 HA LYS A 40 14.104 -26.451 0.382 1.00 0.00 H new ATOM 0 HB2 LYS A 40 13.740 -25.232 2.527 1.00 0.00 H new ATOM 0 HB3 LYS A 40 14.985 -24.079 2.086 1.00 0.00 H new ATOM 0 HG2 LYS A 40 13.636 -23.327 0.160 1.00 0.00 H new ATOM 0 HG3 LYS A 40 12.403 -24.514 0.540 1.00 0.00 H new ATOM 0 HD2 LYS A 40 12.043 -23.438 2.755 1.00 0.00 H new ATOM 0 HD3 LYS A 40 13.286 -22.258 2.388 1.00 0.00 H new ATOM 0 HE2 LYS A 40 11.970 -21.476 0.426 1.00 0.00 H new ATOM 0 HE3 LYS A 40 10.730 -22.663 0.781 1.00 0.00 H new ATOM 0 HZ1 LYS A 40 10.141 -20.494 1.649 1.00 0.00 H new ATOM 0 HZ2 LYS A 40 10.357 -21.591 2.927 1.00 0.00 H new ATOM 0 HZ3 LYS A 40 11.558 -20.441 2.584 1.00 0.00 H new ATOM 504 N LEU A 41 16.721 -24.477 -0.042 1.00 0.00 N ATOM 505 CA LEU A 41 17.521 -23.749 -1.022 1.00 0.00 C ATOM 506 C LEU A 41 17.828 -24.633 -2.220 1.00 0.00 C ATOM 507 O LEU A 41 17.912 -24.157 -3.350 1.00 0.00 O ATOM 508 CB LEU A 41 18.845 -23.296 -0.403 1.00 0.00 C ATOM 509 CG LEU A 41 19.717 -22.380 -1.263 1.00 0.00 C ATOM 510 CD1 LEU A 41 19.006 -21.064 -1.539 1.00 0.00 C ATOM 511 CD2 LEU A 41 21.031 -22.073 -0.561 1.00 0.00 C ATOM 0 H LEU A 41 17.124 -24.492 0.895 1.00 0.00 H new ATOM 0 HA LEU A 41 16.946 -22.880 -1.341 1.00 0.00 H new ATOM 0 HB2 LEU A 41 18.627 -22.781 0.533 1.00 0.00 H new ATOM 0 HB3 LEU A 41 19.426 -24.183 -0.151 1.00 0.00 H new ATOM 0 HG LEU A 41 19.910 -22.901 -2.201 1.00 0.00 H new ATOM 0 HD11 LEU A 41 19.644 -20.427 -2.152 1.00 0.00 H new ATOM 0 HD12 LEU A 41 18.072 -21.259 -2.067 1.00 0.00 H new ATOM 0 HD13 LEU A 41 18.791 -20.562 -0.596 1.00 0.00 H new ATOM 0 HD21 LEU A 41 21.636 -21.420 -1.190 1.00 0.00 H new ATOM 0 HD22 LEU A 41 20.829 -21.577 0.388 1.00 0.00 H new ATOM 0 HD23 LEU A 41 21.571 -23.002 -0.377 1.00 0.00 H new ATOM 523 N PHE A 42 17.993 -25.926 -1.954 1.00 0.00 N ATOM 524 CA PHE A 42 18.293 -26.904 -2.995 1.00 0.00 C ATOM 525 C PHE A 42 17.164 -26.964 -4.009 1.00 0.00 C ATOM 526 O PHE A 42 17.401 -26.991 -5.215 1.00 0.00 O ATOM 527 CB PHE A 42 18.471 -28.296 -2.387 1.00 0.00 C ATOM 528 CG PHE A 42 18.798 -29.361 -3.395 1.00 0.00 C ATOM 529 CD1 PHE A 42 20.078 -29.481 -3.906 1.00 0.00 C ATOM 530 CD2 PHE A 42 17.824 -30.243 -3.832 1.00 0.00 C ATOM 531 CE1 PHE A 42 20.378 -30.461 -4.834 1.00 0.00 C ATOM 532 CE2 PHE A 42 18.125 -31.222 -4.759 1.00 0.00 C ATOM 533 CZ PHE A 42 19.395 -31.333 -5.260 1.00 0.00 C ATOM 0 H PHE A 42 17.923 -26.323 -1.017 1.00 0.00 H new ATOM 0 HA PHE A 42 19.216 -26.594 -3.486 1.00 0.00 H new ATOM 0 HB2 PHE A 42 19.266 -28.258 -1.642 1.00 0.00 H new ATOM 0 HB3 PHE A 42 17.556 -28.573 -1.863 1.00 0.00 H new ATOM 0 HD1 PHE A 42 20.851 -28.802 -3.577 1.00 0.00 H new ATOM 0 HD2 PHE A 42 16.819 -30.165 -3.444 1.00 0.00 H new ATOM 0 HE1 PHE A 42 21.381 -30.545 -5.226 1.00 0.00 H new ATOM 0 HE2 PHE A 42 17.355 -31.903 -5.090 1.00 0.00 H new ATOM 0 HZ PHE A 42 19.627 -32.099 -5.985 1.00 0.00 H new ATOM 543 N LYS A 43 15.934 -26.985 -3.502 1.00 0.00 N ATOM 544 CA LYS A 43 14.744 -27.041 -4.344 1.00 0.00 C ATOM 545 C LYS A 43 14.542 -25.722 -5.072 1.00 0.00 C ATOM 546 O LYS A 43 14.232 -25.698 -6.260 1.00 0.00 O ATOM 547 CB LYS A 43 13.501 -27.320 -3.497 1.00 0.00 C ATOM 548 CG LYS A 43 13.440 -28.728 -2.928 1.00 0.00 C ATOM 549 CD LYS A 43 12.176 -28.940 -2.112 1.00 0.00 C ATOM 550 CE LYS A 43 12.116 -30.348 -1.543 1.00 0.00 C ATOM 551 NZ LYS A 43 10.888 -30.566 -0.728 1.00 0.00 N ATOM 0 H LYS A 43 15.735 -26.964 -2.502 1.00 0.00 H new ATOM 0 HA LYS A 43 14.888 -27.844 -5.067 1.00 0.00 H new ATOM 0 HB2 LYS A 43 13.467 -26.606 -2.674 1.00 0.00 H new ATOM 0 HB3 LYS A 43 12.614 -27.147 -4.106 1.00 0.00 H new ATOM 0 HG2 LYS A 43 13.476 -29.453 -3.741 1.00 0.00 H new ATOM 0 HG3 LYS A 43 14.314 -28.908 -2.302 1.00 0.00 H new ATOM 0 HD2 LYS A 43 12.140 -28.215 -1.299 1.00 0.00 H new ATOM 0 HD3 LYS A 43 11.302 -28.761 -2.738 1.00 0.00 H new ATOM 0 HE2 LYS A 43 12.143 -31.071 -2.359 1.00 0.00 H new ATOM 0 HE3 LYS A 43 12.997 -30.529 -0.927 1.00 0.00 H new ATOM 0 HZ1 LYS A 43 10.885 -31.538 -0.358 1.00 0.00 H new ATOM 0 HZ2 LYS A 43 10.874 -29.894 0.065 1.00 0.00 H new ATOM 0 HZ3 LYS A 43 10.047 -30.419 -1.322 1.00 0.00 H new ATOM 565 N LYS A 44 14.724 -24.627 -4.338 1.00 0.00 N ATOM 566 CA LYS A 44 14.569 -23.284 -4.888 1.00 0.00 C ATOM 567 C LYS A 44 15.750 -22.934 -5.779 1.00 0.00 C ATOM 568 O LYS A 44 15.579 -22.409 -6.877 1.00 0.00 O ATOM 569 CB LYS A 44 14.489 -22.250 -3.763 1.00 0.00 C ATOM 570 CG LYS A 44 13.200 -22.305 -2.960 1.00 0.00 C ATOM 571 CD LYS A 44 12.000 -21.933 -3.816 1.00 0.00 C ATOM 572 CE LYS A 44 10.716 -21.943 -3.001 1.00 0.00 C ATOM 573 NZ LYS A 44 9.527 -21.617 -3.835 1.00 0.00 N ATOM 0 H LYS A 44 14.982 -24.645 -3.351 1.00 0.00 H new ATOM 0 HA LYS A 44 13.648 -23.268 -5.471 1.00 0.00 H new ATOM 0 HB2 LYS A 44 15.332 -22.398 -3.088 1.00 0.00 H new ATOM 0 HB3 LYS A 44 14.595 -21.254 -4.192 1.00 0.00 H new ATOM 0 HG2 LYS A 44 13.064 -23.308 -2.555 1.00 0.00 H new ATOM 0 HG3 LYS A 44 13.269 -21.625 -2.111 1.00 0.00 H new ATOM 0 HD2 LYS A 44 12.151 -20.944 -4.248 1.00 0.00 H new ATOM 0 HD3 LYS A 44 11.912 -22.633 -4.646 1.00 0.00 H new ATOM 0 HE2 LYS A 44 10.582 -22.924 -2.546 1.00 0.00 H new ATOM 0 HE3 LYS A 44 10.797 -21.223 -2.187 1.00 0.00 H new ATOM 0 HZ1 LYS A 44 8.672 -21.634 -3.243 1.00 0.00 H new ATOM 0 HZ2 LYS A 44 9.642 -20.670 -4.249 1.00 0.00 H new ATOM 0 HZ3 LYS A 44 9.434 -22.319 -4.597 1.00 0.00 H new ATOM 587 N PHE A 45 16.948 -23.233 -5.287 1.00 0.00 N ATOM 588 CA PHE A 45 18.182 -22.963 -6.019 1.00 0.00 C ATOM 589 C PHE A 45 18.363 -23.963 -7.149 1.00 0.00 C ATOM 590 O PHE A 45 18.744 -23.599 -8.259 1.00 0.00 O ATOM 591 CB PHE A 45 19.391 -23.064 -5.087 1.00 0.00 C ATOM 592 CG PHE A 45 20.700 -22.760 -5.757 1.00 0.00 C ATOM 593 CD1 PHE A 45 21.076 -21.452 -6.012 1.00 0.00 C ATOM 594 CD2 PHE A 45 21.556 -23.780 -6.133 1.00 0.00 C ATOM 595 CE1 PHE A 45 22.281 -21.172 -6.628 1.00 0.00 C ATOM 596 CE2 PHE A 45 22.761 -23.500 -6.749 1.00 0.00 C ATOM 597 CZ PHE A 45 23.124 -22.202 -6.998 1.00 0.00 C ATOM 0 H PHE A 45 17.091 -23.667 -4.375 1.00 0.00 H new ATOM 0 HA PHE A 45 18.111 -21.954 -6.426 1.00 0.00 H new ATOM 0 HB2 PHE A 45 19.253 -22.377 -4.252 1.00 0.00 H new ATOM 0 HB3 PHE A 45 19.433 -24.070 -4.669 1.00 0.00 H new ATOM 0 HD1 PHE A 45 20.421 -20.642 -5.727 1.00 0.00 H new ATOM 0 HD2 PHE A 45 21.279 -24.807 -5.943 1.00 0.00 H new ATOM 0 HE1 PHE A 45 22.564 -20.148 -6.820 1.00 0.00 H new ATOM 0 HE2 PHE A 45 23.419 -24.307 -7.035 1.00 0.00 H new ATOM 0 HZ PHE A 45 24.065 -21.985 -7.481 1.00 0.00 H new ATOM 607 N THR A 46 18.082 -25.227 -6.848 1.00 0.00 N ATOM 608 CA THR A 46 18.205 -26.308 -7.822 1.00 0.00 C ATOM 609 C THR A 46 17.056 -26.261 -8.816 1.00 0.00 C ATOM 610 O THR A 46 17.256 -26.412 -10.019 1.00 0.00 O ATOM 611 CB THR A 46 18.185 -27.688 -7.139 1.00 0.00 C ATOM 612 OG1 THR A 46 19.277 -27.784 -6.217 1.00 0.00 O ATOM 613 CG2 THR A 46 18.314 -28.796 -8.173 1.00 0.00 C ATOM 0 H THR A 46 17.764 -25.531 -5.928 1.00 0.00 H new ATOM 0 HA THR A 46 19.158 -26.168 -8.332 1.00 0.00 H new ATOM 0 HB THR A 46 17.238 -27.799 -6.611 1.00 0.00 H new ATOM 0 HG1 THR A 46 18.946 -28.097 -5.349 1.00 0.00 H new ATOM 0 HG21 THR A 46 18.298 -29.764 -7.673 1.00 0.00 H new ATOM 0 HG22 THR A 46 17.483 -28.737 -8.875 1.00 0.00 H new ATOM 0 HG23 THR A 46 19.254 -28.682 -8.713 1.00 0.00 H new ATOM 621 N SER A 47 15.852 -26.046 -8.295 1.00 0.00 N ATOM 622 CA SER A 47 14.647 -25.974 -9.116 1.00 0.00 C ATOM 623 C SER A 47 14.591 -24.650 -9.862 1.00 0.00 C ATOM 624 O SER A 47 14.249 -24.605 -11.041 1.00 0.00 O ATOM 625 CB SER A 47 13.396 -26.091 -8.243 1.00 0.00 C ATOM 626 OG SER A 47 12.218 -26.011 -9.026 1.00 0.00 O ATOM 0 H SER A 47 15.684 -25.917 -7.297 1.00 0.00 H new ATOM 0 HA SER A 47 14.679 -26.799 -9.828 1.00 0.00 H new ATOM 0 HB2 SER A 47 13.413 -27.037 -7.702 1.00 0.00 H new ATOM 0 HB3 SER A 47 13.394 -25.297 -7.496 1.00 0.00 H new ATOM 0 HG SER A 47 11.433 -26.090 -8.445 1.00 0.00 H new ATOM 632 N LYS A 48 14.931 -23.578 -9.154 1.00 0.00 N ATOM 633 CA LYS A 48 14.930 -22.233 -9.724 1.00 0.00 C ATOM 634 C LYS A 48 16.125 -22.043 -10.644 1.00 0.00 C ATOM 635 O LYS A 48 16.011 -21.441 -11.710 1.00 0.00 O ATOM 636 CB LYS A 48 15.002 -21.181 -8.615 1.00 0.00 C ATOM 637 CG LYS A 48 13.737 -21.072 -7.780 1.00 0.00 C ATOM 638 CD LYS A 48 12.567 -20.573 -8.612 1.00 0.00 C ATOM 639 CE LYS A 48 11.313 -20.420 -7.766 1.00 0.00 C ATOM 640 NZ LYS A 48 10.148 -19.968 -8.577 1.00 0.00 N ATOM 0 H LYS A 48 15.214 -23.615 -8.175 1.00 0.00 H new ATOM 0 HA LYS A 48 14.006 -22.113 -10.289 1.00 0.00 H new ATOM 0 HB2 LYS A 48 15.839 -21.418 -7.958 1.00 0.00 H new ATOM 0 HB3 LYS A 48 15.213 -20.210 -9.063 1.00 0.00 H new ATOM 0 HG2 LYS A 48 13.494 -22.046 -7.355 1.00 0.00 H new ATOM 0 HG3 LYS A 48 13.908 -20.393 -6.945 1.00 0.00 H new ATOM 0 HD2 LYS A 48 12.822 -19.615 -9.064 1.00 0.00 H new ATOM 0 HD3 LYS A 48 12.375 -21.270 -9.428 1.00 0.00 H new ATOM 0 HE2 LYS A 48 11.077 -21.372 -7.291 1.00 0.00 H new ATOM 0 HE3 LYS A 48 11.499 -19.703 -6.967 1.00 0.00 H new ATOM 0 HZ1 LYS A 48 9.313 -19.876 -7.964 1.00 0.00 H new ATOM 0 HZ2 LYS A 48 10.363 -19.047 -9.010 1.00 0.00 H new ATOM 0 HZ3 LYS A 48 9.954 -20.665 -9.324 1.00 0.00 H new ATOM 654 N ALA A 49 17.270 -22.567 -10.215 1.00 0.00 N ATOM 655 CA ALA A 49 18.507 -22.470 -10.983 1.00 0.00 C ATOM 0 H ALA A 49 17.366 -23.067 -9.331 1.00 0.00 H new TER 658 ALA A 49