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=-0.9) USER MOD Single : A 17 SER OG : rot 76:sc= 1.04 USER MOD Single : A 19 THR OG1 : rot 87:sc= -0.914! USER MOD Single : A 21 MET CE :methyl 166:sc= -0.0101 (180deg=-0.244) USER MOD Single : A 24 TYR OH : rot 180:sc= 0 USER MOD Single : A 28 MET CE :methyl 165:sc= -0.0085 (180deg=-0.246) USER MOD Single : A 36 THR OG1 : rot -150:sc= -1.48! 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 128:sc= 0.976 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 17.273 -45.868 62.519 1.00 0.00 C ATOM 2 C PRO A 6 17.821 -44.917 61.468 1.00 0.00 C ATOM 3 O PRO A 6 17.139 -44.584 60.501 1.00 0.00 O ATOM 5 N ALA A 7 19.063 -44.485 61.675 1.00 0.00 N ATOM 6 CA ALA A 7 19.734 -43.567 60.759 1.00 0.00 C ATOM 7 C ALA A 7 20.076 -44.272 59.456 1.00 0.00 C ATOM 8 O ALA A 7 19.984 -43.685 58.380 1.00 0.00 O ATOM 9 CB ALA A 7 21.022 -43.047 61.379 1.00 0.00 C ATOM 0 H ALA A 7 19.629 -44.760 62.478 1.00 0.00 H new ATOM 0 HA ALA A 7 19.056 -42.736 60.562 1.00 0.00 H new ATOM 0 HB1 ALA A 7 21.511 -42.364 60.684 1.00 0.00 H new ATOM 0 HB2 ALA A 7 20.793 -42.520 62.305 1.00 0.00 H new ATOM 0 HB3 ALA A 7 21.687 -43.884 61.593 1.00 0.00 H new ATOM 15 N LYS A 8 20.469 -45.539 59.573 1.00 0.00 N ATOM 16 CA LYS A 8 20.833 -46.351 58.416 1.00 0.00 C ATOM 17 C LYS A 8 19.738 -46.300 57.364 1.00 0.00 C ATOM 18 O LYS A 8 20.010 -46.143 56.176 1.00 0.00 O ATOM 19 CB LYS A 8 21.039 -47.810 58.829 1.00 0.00 C ATOM 20 CG LYS A 8 21.485 -48.718 57.695 1.00 0.00 C ATOM 21 CD LYS A 8 21.725 -50.137 58.186 1.00 0.00 C ATOM 22 CE LYS A 8 22.157 -51.049 57.049 1.00 0.00 C ATOM 23 NZ LYS A 8 22.406 -52.440 57.517 1.00 0.00 N ATOM 0 H LYS A 8 20.543 -46.028 60.465 1.00 0.00 H new ATOM 0 HA LYS A 8 21.759 -45.948 58.006 1.00 0.00 H new ATOM 0 HB2 LYS A 8 21.782 -47.850 59.626 1.00 0.00 H new ATOM 0 HB3 LYS A 8 20.107 -48.194 59.243 1.00 0.00 H new ATOM 0 HG2 LYS A 8 20.727 -48.725 56.912 1.00 0.00 H new ATOM 0 HG3 LYS A 8 22.399 -48.325 57.250 1.00 0.00 H new ATOM 0 HD2 LYS A 8 22.491 -50.131 58.961 1.00 0.00 H new ATOM 0 HD3 LYS A 8 20.814 -50.526 58.641 1.00 0.00 H new ATOM 0 HE2 LYS A 8 21.387 -51.058 56.278 1.00 0.00 H new ATOM 0 HE3 LYS A 8 23.063 -50.653 56.590 1.00 0.00 H new ATOM 0 HZ1 LYS A 8 22.698 -53.030 56.712 1.00 0.00 H new ATOM 0 HZ2 LYS A 8 23.159 -52.435 58.234 1.00 0.00 H new ATOM 0 HZ3 LYS A 8 21.535 -52.828 57.932 1.00 0.00 H new ATOM 37 N ALA A 9 18.496 -46.436 57.820 1.00 0.00 N ATOM 38 CA ALA A 9 17.333 -46.409 56.937 1.00 0.00 C ATOM 39 C ALA A 9 17.078 -44.998 56.436 1.00 0.00 C ATOM 40 O ALA A 9 16.634 -44.799 55.307 1.00 0.00 O ATOM 41 CB ALA A 9 16.094 -46.889 57.677 1.00 0.00 C ATOM 0 H ALA A 9 18.268 -46.567 58.805 1.00 0.00 H new ATOM 0 HA ALA A 9 17.539 -47.068 56.094 1.00 0.00 H new ATOM 0 HB1 ALA A 9 15.236 -46.863 57.005 1.00 0.00 H new ATOM 0 HB2 ALA A 9 16.251 -47.910 58.026 1.00 0.00 H new ATOM 0 HB3 ALA A 9 15.906 -46.239 58.531 1.00 0.00 H new ATOM 47 N ALA A 10 17.366 -44.021 57.292 1.00 0.00 N ATOM 48 CA ALA A 10 17.177 -42.613 56.962 1.00 0.00 C ATOM 49 C ALA A 10 18.157 -42.182 55.884 1.00 0.00 C ATOM 50 O ALA A 10 17.781 -41.532 54.911 1.00 0.00 O ATOM 51 CB ALA A 10 17.401 -41.746 58.191 1.00 0.00 C ATOM 0 H ALA A 10 17.735 -44.183 58.229 1.00 0.00 H new ATOM 0 HA ALA A 10 16.156 -42.489 56.602 1.00 0.00 H new ATOM 0 HB1 ALA A 10 17.256 -40.698 57.928 1.00 0.00 H new ATOM 0 HB2 ALA A 10 16.691 -42.027 58.969 1.00 0.00 H new ATOM 0 HB3 ALA A 10 18.417 -41.891 58.558 1.00 0.00 H new ATOM 57 N PHE A 11 19.420 -42.555 56.073 1.00 0.00 N ATOM 58 CA PHE A 11 20.483 -42.219 55.129 1.00 0.00 C ATOM 59 C PHE A 11 20.363 -43.066 53.873 1.00 0.00 C ATOM 60 O PHE A 11 20.517 -42.568 52.759 1.00 0.00 O ATOM 61 CB PHE A 11 21.856 -42.472 55.755 1.00 0.00 C ATOM 62 CG PHE A 11 23.006 -42.112 54.860 1.00 0.00 C ATOM 63 CD1 PHE A 11 23.387 -40.792 54.695 1.00 0.00 C ATOM 64 CD2 PHE A 11 23.709 -43.094 54.182 1.00 0.00 C ATOM 65 CE1 PHE A 11 24.446 -40.460 53.871 1.00 0.00 C ATOM 66 CE2 PHE A 11 24.768 -42.762 53.358 1.00 0.00 C ATOM 67 CZ PHE A 11 25.137 -41.452 53.201 1.00 0.00 C ATOM 0 H PHE A 11 19.734 -43.095 56.879 1.00 0.00 H new ATOM 0 HA PHE A 11 20.383 -41.164 54.876 1.00 0.00 H new ATOM 0 HB2 PHE A 11 21.934 -41.900 56.679 1.00 0.00 H new ATOM 0 HB3 PHE A 11 21.933 -43.525 56.025 1.00 0.00 H new ATOM 0 HD1 PHE A 11 22.851 -40.012 55.216 1.00 0.00 H new ATOM 0 HD2 PHE A 11 23.427 -44.130 54.298 1.00 0.00 H new ATOM 0 HE1 PHE A 11 24.733 -39.426 53.751 1.00 0.00 H new ATOM 0 HE2 PHE A 11 25.307 -43.539 52.836 1.00 0.00 H new ATOM 0 HZ PHE A 11 25.965 -41.195 52.556 1.00 0.00 H new ATOM 77 N ASP A 12 20.087 -44.352 54.071 1.00 0.00 N ATOM 78 CA ASP A 12 19.940 -45.298 52.968 1.00 0.00 C ATOM 79 C ASP A 12 18.636 -45.054 52.226 1.00 0.00 C ATOM 80 O ASP A 12 18.577 -45.155 51.003 1.00 0.00 O ATOM 81 CB ASP A 12 19.936 -46.735 53.492 1.00 0.00 C ATOM 82 CG ASP A 12 20.000 -47.762 52.378 1.00 0.00 C ATOM 83 OD1 ASP A 12 20.950 -47.702 51.569 1.00 0.00 O ATOM 84 OD2 ASP A 12 19.100 -48.626 52.314 1.00 0.00 O ATOM 0 H ASP A 12 19.960 -44.766 54.994 1.00 0.00 H new ATOM 0 HA ASP A 12 20.783 -45.152 52.292 1.00 0.00 H new ATOM 0 HB2 ASP A 12 20.785 -46.876 54.161 1.00 0.00 H new ATOM 0 HB3 ASP A 12 19.035 -46.900 54.082 1.00 0.00 H new ATOM 90 N SER A 13 17.594 -44.729 52.986 1.00 0.00 N ATOM 91 CA SER A 13 16.272 -44.463 52.427 1.00 0.00 C ATOM 92 C SER A 13 16.307 -43.222 51.549 1.00 0.00 C ATOM 93 O SER A 13 15.760 -43.213 50.447 1.00 0.00 O ATOM 94 CB SER A 13 15.253 -44.237 53.546 1.00 0.00 C ATOM 95 OG SER A 13 13.964 -43.977 53.017 1.00 0.00 O ATOM 0 H SER A 13 17.641 -44.643 54.001 1.00 0.00 H new ATOM 0 HA SER A 13 15.981 -45.329 51.832 1.00 0.00 H new ATOM 0 HB2 SER A 13 15.215 -45.115 54.190 1.00 0.00 H new ATOM 0 HB3 SER A 13 15.570 -43.400 54.167 1.00 0.00 H new ATOM 0 HG SER A 13 13.331 -43.838 53.752 1.00 0.00 H new ATOM 101 N LEU A 14 16.956 -42.177 52.054 1.00 0.00 N ATOM 102 CA LEU A 14 17.081 -40.912 51.335 1.00 0.00 C ATOM 103 C LEU A 14 17.902 -41.097 50.070 1.00 0.00 C ATOM 104 O LEU A 14 17.514 -40.650 48.994 1.00 0.00 O ATOM 105 CB LEU A 14 17.772 -39.864 52.210 1.00 0.00 C ATOM 106 CG LEU A 14 17.952 -38.477 51.592 1.00 0.00 C ATOM 107 CD1 LEU A 14 16.603 -37.837 51.302 1.00 0.00 C ATOM 108 CD2 LEU A 14 18.719 -37.563 52.535 1.00 0.00 C ATOM 0 H LEU A 14 17.408 -42.182 52.968 1.00 0.00 H new ATOM 0 HA LEU A 14 16.076 -40.576 51.078 1.00 0.00 H new ATOM 0 HB2 LEU A 14 17.199 -39.756 53.131 1.00 0.00 H new ATOM 0 HB3 LEU A 14 18.755 -40.245 52.488 1.00 0.00 H new ATOM 0 HG LEU A 14 18.509 -38.605 50.664 1.00 0.00 H new ATOM 0 HD11 LEU A 14 16.755 -36.851 50.863 1.00 0.00 H new ATOM 0 HD12 LEU A 14 16.046 -38.463 50.605 1.00 0.00 H new ATOM 0 HD13 LEU A 14 16.040 -37.738 52.230 1.00 0.00 H new ATOM 0 HD21 LEU A 14 18.836 -36.582 52.076 1.00 0.00 H new ATOM 0 HD22 LEU A 14 18.170 -37.462 53.471 1.00 0.00 H new ATOM 0 HD23 LEU A 14 19.702 -37.989 52.735 1.00 0.00 H new ATOM 120 N GLN A 15 19.044 -41.764 50.219 1.00 0.00 N ATOM 121 CA GLN A 15 19.948 -42.023 49.101 1.00 0.00 C ATOM 122 C GLN A 15 19.208 -42.721 47.971 1.00 0.00 C ATOM 123 O GLN A 15 19.407 -42.410 46.799 1.00 0.00 O ATOM 124 CB GLN A 15 21.108 -42.917 49.546 1.00 0.00 C ATOM 125 CG GLN A 15 22.146 -43.170 48.464 1.00 0.00 C ATOM 126 CD GLN A 15 23.311 -44.004 48.959 1.00 0.00 C ATOM 127 OE1 GLN A 15 23.344 -44.415 50.120 1.00 0.00 O ATOM 128 NE2 GLN A 15 24.272 -44.258 48.079 1.00 0.00 N ATOM 0 H GLN A 15 19.367 -42.138 51.111 1.00 0.00 H new ATOM 0 HA GLN A 15 20.333 -41.064 48.755 1.00 0.00 H new ATOM 0 HB2 GLN A 15 21.598 -42.458 50.405 1.00 0.00 H new ATOM 0 HB3 GLN A 15 20.708 -43.874 49.881 1.00 0.00 H new ATOM 0 HG2 GLN A 15 21.673 -43.676 47.623 1.00 0.00 H new ATOM 0 HG3 GLN A 15 22.519 -42.215 48.093 1.00 0.00 H new ATOM 0 HE21 GLN A 15 24.201 -43.896 47.128 1.00 0.00 H new ATOM 0 HE22 GLN A 15 25.081 -44.815 48.354 1.00 0.00 H new ATOM 137 N ALA A 16 18.353 -43.671 48.345 1.00 0.00 N ATOM 138 CA ALA A 16 17.565 -44.434 47.380 1.00 0.00 C ATOM 139 C ALA A 16 16.466 -43.569 46.787 1.00 0.00 C ATOM 140 O ALA A 16 16.285 -43.522 45.572 1.00 0.00 O ATOM 141 CB ALA A 16 16.921 -45.636 48.054 1.00 0.00 C ATOM 0 H ALA A 16 18.188 -43.932 49.317 1.00 0.00 H new ATOM 0 HA ALA A 16 18.238 -44.768 46.590 1.00 0.00 H new ATOM 0 HB1 ALA A 16 16.337 -46.194 47.322 1.00 0.00 H new ATOM 0 HB2 ALA A 16 17.697 -46.280 48.467 1.00 0.00 H new ATOM 0 HB3 ALA A 16 16.267 -45.296 48.857 1.00 0.00 H new ATOM 147 N SER A 17 15.735 -42.888 47.664 1.00 0.00 N ATOM 148 CA SER A 17 14.640 -42.012 47.255 1.00 0.00 C ATOM 149 C SER A 17 15.139 -40.959 46.278 1.00 0.00 C ATOM 150 O SER A 17 14.601 -40.814 45.182 1.00 0.00 O ATOM 151 CB SER A 17 14.041 -41.300 48.470 1.00 0.00 C ATOM 152 OG SER A 17 13.415 -42.223 49.344 1.00 0.00 O ATOM 0 H SER A 17 15.883 -42.926 48.673 1.00 0.00 H new ATOM 0 HA SER A 17 13.880 -42.630 46.777 1.00 0.00 H new ATOM 0 HB2 SER A 17 14.825 -40.763 49.004 1.00 0.00 H new ATOM 0 HB3 SER A 17 13.315 -40.558 48.139 1.00 0.00 H new ATOM 0 HG SER A 17 14.098 -42.706 49.854 1.00 0.00 H new ATOM 158 N ALA A 18 16.173 -40.232 46.691 1.00 0.00 N ATOM 159 CA ALA A 18 16.768 -39.183 45.870 1.00 0.00 C ATOM 160 C ALA A 18 17.501 -39.786 44.684 1.00 0.00 C ATOM 161 O ALA A 18 17.594 -39.176 43.622 1.00 0.00 O ATOM 162 CB ALA A 18 17.760 -38.369 46.687 1.00 0.00 C ATOM 0 H ALA A 18 16.620 -40.353 47.600 1.00 0.00 H new ATOM 0 HA ALA A 18 15.963 -38.539 45.516 1.00 0.00 H new ATOM 0 HB1 ALA A 18 18.195 -37.591 46.060 1.00 0.00 H new ATOM 0 HB2 ALA A 18 17.246 -37.910 47.531 1.00 0.00 H new ATOM 0 HB3 ALA A 18 18.551 -39.023 47.055 1.00 0.00 H new ATOM 168 N THR A 19 18.021 -40.996 44.883 1.00 0.00 N ATOM 169 CA THR A 19 18.755 -41.711 43.844 1.00 0.00 C ATOM 170 C THR A 19 17.798 -42.250 42.792 1.00 0.00 C ATOM 171 O THR A 19 17.978 -42.019 41.598 1.00 0.00 O ATOM 172 CB THR A 19 19.540 -42.902 44.425 1.00 0.00 C ATOM 173 OG1 THR A 19 20.505 -42.425 45.371 1.00 0.00 O ATOM 174 CG2 THR A 19 20.264 -43.653 43.319 1.00 0.00 C ATOM 0 H THR A 19 17.945 -41.505 45.764 1.00 0.00 H new ATOM 0 HA THR A 19 19.450 -40.999 43.400 1.00 0.00 H new ATOM 0 HB THR A 19 18.836 -43.575 44.914 1.00 0.00 H new ATOM 0 HG1 THR A 19 20.086 -42.342 46.253 1.00 0.00 H new ATOM 0 HG21 THR A 19 20.813 -44.491 43.748 1.00 0.00 H new ATOM 0 HG22 THR A 19 19.538 -44.026 42.597 1.00 0.00 H new ATOM 0 HG23 THR A 19 20.961 -42.981 42.818 1.00 0.00 H new ATOM 182 N GLU A 20 16.782 -42.971 43.256 1.00 0.00 N ATOM 183 CA GLU A 20 15.776 -43.559 42.375 1.00 0.00 C ATOM 184 C GLU A 20 15.023 -42.474 41.627 1.00 0.00 C ATOM 185 O GLU A 20 14.757 -42.596 40.434 1.00 0.00 O ATOM 186 CB GLU A 20 14.767 -44.377 43.184 1.00 0.00 C ATOM 187 CG GLU A 20 15.340 -45.650 43.785 1.00 0.00 C ATOM 188 CD GLU A 20 14.327 -46.406 44.623 1.00 0.00 C ATOM 189 OE1 GLU A 20 13.192 -45.907 44.775 1.00 0.00 O ATOM 190 OE2 GLU A 20 14.668 -47.496 45.126 1.00 0.00 O ATOM 0 H GLU A 20 16.632 -43.164 44.246 1.00 0.00 H new ATOM 0 HA GLU A 20 16.294 -44.205 41.666 1.00 0.00 H new ATOM 0 HB2 GLU A 20 14.372 -43.755 43.987 1.00 0.00 H new ATOM 0 HB3 GLU A 20 13.927 -44.638 42.540 1.00 0.00 H new ATOM 0 HG2 GLU A 20 15.698 -46.296 42.984 1.00 0.00 H new ATOM 0 HG3 GLU A 20 16.203 -45.400 44.403 1.00 0.00 H new ATOM 198 N MET A 21 14.684 -41.409 42.349 1.00 0.00 N ATOM 199 CA MET A 21 13.956 -40.279 41.777 1.00 0.00 C ATOM 200 C MET A 21 14.798 -39.582 40.721 1.00 0.00 C ATOM 201 O MET A 21 14.284 -39.138 39.697 1.00 0.00 O ATOM 202 CB MET A 21 13.606 -39.261 42.865 1.00 0.00 C ATOM 203 CG MET A 21 12.772 -38.090 42.373 1.00 0.00 C ATOM 204 SD MET A 21 12.355 -36.931 43.690 1.00 0.00 S ATOM 205 CE MET A 21 13.953 -36.190 44.008 1.00 0.00 C ATOM 0 H MET A 21 14.904 -41.305 43.340 1.00 0.00 H new ATOM 0 HA MET A 21 13.043 -40.667 41.325 1.00 0.00 H new ATOM 0 HB2 MET A 21 13.064 -39.769 43.663 1.00 0.00 H new ATOM 0 HB3 MET A 21 14.529 -38.878 43.300 1.00 0.00 H new ATOM 0 HG2 MET A 21 13.318 -37.563 41.591 1.00 0.00 H new ATOM 0 HG3 MET A 21 11.854 -38.467 41.922 1.00 0.00 H new ATOM 0 HE1 MET A 21 13.824 -35.291 44.611 1.00 0.00 H new ATOM 0 HE2 MET A 21 14.583 -36.899 44.545 1.00 0.00 H new ATOM 0 HE3 MET A 21 14.427 -35.928 43.062 1.00 0.00 H new ATOM 215 N ILE A 22 16.097 -39.496 40.988 1.00 0.00 N ATOM 216 CA ILE A 22 17.041 -38.856 40.075 1.00 0.00 C ATOM 217 C ILE A 22 16.995 -39.525 38.711 1.00 0.00 C ATOM 218 O ILE A 22 17.198 -38.878 37.685 1.00 0.00 O ATOM 219 CB ILE A 22 18.486 -38.948 40.601 1.00 0.00 C ATOM 220 CG1 ILE A 22 19.393 -37.981 39.839 1.00 0.00 C ATOM 221 CG2 ILE A 22 19.028 -40.358 40.424 1.00 0.00 C ATOM 222 CD1 ILE A 22 20.750 -37.783 40.480 1.00 0.00 C ATOM 0 H ILE A 22 16.524 -39.865 41.837 1.00 0.00 H new ATOM 0 HA ILE A 22 16.749 -37.809 39.998 1.00 0.00 H new ATOM 0 HB ILE A 22 18.473 -38.688 41.659 1.00 0.00 H new ATOM 0 HG12 ILE A 22 19.532 -38.352 38.823 1.00 0.00 H new ATOM 0 HG13 ILE A 22 18.894 -37.015 39.760 1.00 0.00 H new ATOM 0 HG21 ILE A 22 20.050 -40.405 40.801 1.00 0.00 H new ATOM 0 HG22 ILE A 22 18.404 -41.060 40.978 1.00 0.00 H new ATOM 0 HG23 ILE A 22 19.019 -40.621 39.366 1.00 0.00 H new ATOM 0 HD11 ILE A 22 21.336 -37.085 39.883 1.00 0.00 H new ATOM 0 HD12 ILE A 22 20.622 -37.382 41.486 1.00 0.00 H new ATOM 0 HD13 ILE A 22 21.270 -38.739 40.534 1.00 0.00 H new ATOM 234 N GLY A 23 16.731 -40.828 38.717 1.00 0.00 N ATOM 235 CA GLY A 23 16.653 -41.615 37.490 1.00 0.00 C ATOM 236 C GLY A 23 15.394 -41.264 36.711 1.00 0.00 C ATOM 237 O GLY A 23 15.384 -41.298 35.483 1.00 0.00 O ATOM 0 H GLY A 23 16.566 -41.366 39.568 1.00 0.00 H new ATOM 0 HA2 GLY A 23 17.533 -41.428 36.874 1.00 0.00 H new ATOM 0 HA3 GLY A 23 16.654 -42.678 37.732 1.00 0.00 H new ATOM 241 N TYR A 24 14.339 -40.929 37.446 1.00 0.00 N ATOM 242 CA TYR A 24 13.057 -40.566 36.850 1.00 0.00 C ATOM 243 C TYR A 24 13.185 -39.278 36.054 1.00 0.00 C ATOM 244 O TYR A 24 12.711 -39.185 34.924 1.00 0.00 O ATOM 245 CB TYR A 24 12.000 -40.359 37.937 1.00 0.00 C ATOM 246 CG TYR A 24 11.500 -41.644 38.557 1.00 0.00 C ATOM 247 CD1 TYR A 24 10.514 -42.398 37.934 1.00 0.00 C ATOM 248 CD2 TYR A 24 12.016 -42.099 39.764 1.00 0.00 C ATOM 249 CE1 TYR A 24 10.051 -43.574 38.494 1.00 0.00 C ATOM 250 CE2 TYR A 24 11.565 -43.272 40.339 1.00 0.00 C ATOM 251 CZ TYR A 24 10.586 -44.007 39.706 1.00 0.00 C ATOM 252 OH TYR A 24 10.135 -45.176 40.276 1.00 0.00 O ATOM 0 H TYR A 24 14.347 -40.901 38.466 1.00 0.00 H new ATOM 0 HA TYR A 24 12.756 -41.380 36.191 1.00 0.00 H new ATOM 0 HB2 TYR A 24 12.418 -39.727 38.721 1.00 0.00 H new ATOM 0 HB3 TYR A 24 11.154 -39.820 37.510 1.00 0.00 H new ATOM 0 HD1 TYR A 24 10.102 -42.059 36.995 1.00 0.00 H new ATOM 0 HD2 TYR A 24 12.784 -41.525 40.262 1.00 0.00 H new ATOM 0 HE1 TYR A 24 9.284 -44.150 37.998 1.00 0.00 H new ATOM 0 HE2 TYR A 24 11.977 -43.610 41.278 1.00 0.00 H new ATOM 0 HH TYR A 24 10.611 -45.335 41.118 1.00 0.00 H new ATOM 262 N ALA A 25 13.836 -38.289 36.660 1.00 0.00 N ATOM 263 CA ALA A 25 14.044 -36.989 36.029 1.00 0.00 C ATOM 264 C ALA A 25 14.830 -37.144 34.737 1.00 0.00 C ATOM 265 O ALA A 25 14.448 -36.609 33.699 1.00 0.00 O ATOM 266 CB ALA A 25 14.820 -36.067 36.957 1.00 0.00 C ATOM 0 H ALA A 25 14.232 -38.365 37.597 1.00 0.00 H new ATOM 0 HA ALA A 25 13.064 -36.561 35.816 1.00 0.00 H new ATOM 0 HB1 ALA A 25 14.967 -35.102 36.472 1.00 0.00 H new ATOM 0 HB2 ALA A 25 14.261 -35.927 37.882 1.00 0.00 H new ATOM 0 HB3 ALA A 25 15.790 -36.511 37.183 1.00 0.00 H new ATOM 272 N TRP A 26 15.933 -37.884 34.820 1.00 0.00 N ATOM 273 CA TRP A 26 16.794 -38.128 33.668 1.00 0.00 C ATOM 274 C TRP A 26 16.037 -38.883 32.587 1.00 0.00 C ATOM 275 O TRP A 26 16.144 -38.565 31.404 1.00 0.00 O ATOM 276 CB TRP A 26 18.012 -38.960 34.076 1.00 0.00 C ATOM 277 CG TRP A 26 18.950 -39.244 32.943 1.00 0.00 C ATOM 278 CD1 TRP A 26 19.094 -40.425 32.275 1.00 0.00 C ATOM 279 CD2 TRP A 26 19.877 -38.328 32.346 1.00 0.00 C ATOM 280 NE1 TRP A 26 20.053 -40.304 31.298 1.00 0.00 N ATOM 281 CE2 TRP A 26 20.548 -39.024 31.322 1.00 0.00 C ATOM 282 CE3 TRP A 26 20.204 -36.989 32.577 1.00 0.00 C ATOM 283 CZ2 TRP A 26 21.527 -38.426 30.530 1.00 0.00 C ATOM 284 CZ3 TRP A 26 21.175 -36.400 31.790 1.00 0.00 C ATOM 285 CH2 TRP A 26 21.827 -37.115 30.779 1.00 0.00 C ATOM 0 H TRP A 26 16.252 -38.328 35.681 1.00 0.00 H new ATOM 0 HA TRP A 26 17.118 -37.160 33.285 1.00 0.00 H new ATOM 0 HB2 TRP A 26 18.554 -38.435 34.862 1.00 0.00 H new ATOM 0 HB3 TRP A 26 17.671 -39.904 34.500 1.00 0.00 H new ATOM 0 HD1 TRP A 26 18.535 -41.325 32.484 1.00 0.00 H new ATOM 0 HE1 TRP A 26 20.348 -41.043 30.660 1.00 0.00 H new ATOM 0 HE3 TRP A 26 19.708 -36.427 33.354 1.00 0.00 H new ATOM 0 HZ2 TRP A 26 22.030 -38.977 29.749 1.00 0.00 H new ATOM 0 HZ3 TRP A 26 21.436 -35.366 31.959 1.00 0.00 H new ATOM 0 HH2 TRP A 26 22.582 -36.622 30.184 1.00 0.00 H new ATOM 296 N ALA A 27 15.275 -39.885 33.012 1.00 0.00 N ATOM 297 CA ALA A 27 14.485 -40.706 32.099 1.00 0.00 C ATOM 298 C ALA A 27 13.378 -39.880 31.463 1.00 0.00 C ATOM 299 O ALA A 27 13.163 -39.938 30.255 1.00 0.00 O ATOM 300 CB ALA A 27 13.850 -41.869 32.846 1.00 0.00 C ATOM 0 H ALA A 27 15.187 -40.151 33.993 1.00 0.00 H new ATOM 0 HA ALA A 27 15.154 -41.084 31.326 1.00 0.00 H new ATOM 0 HB1 ALA A 27 13.264 -42.471 32.151 1.00 0.00 H new ATOM 0 HB2 ALA A 27 14.631 -42.485 33.291 1.00 0.00 H new ATOM 0 HB3 ALA A 27 13.199 -41.485 33.631 1.00 0.00 H new ATOM 306 N MET A 28 12.680 -39.116 32.297 1.00 0.00 N ATOM 307 CA MET A 28 11.585 -38.263 31.843 1.00 0.00 C ATOM 308 C MET A 28 12.116 -37.114 31.003 1.00 0.00 C ATOM 309 O MET A 28 11.628 -36.855 29.906 1.00 0.00 O ATOM 310 CB MET A 28 10.830 -37.678 33.039 1.00 0.00 C ATOM 311 CG MET A 28 9.633 -36.822 32.658 1.00 0.00 C ATOM 312 SD MET A 28 8.754 -36.179 34.095 1.00 0.00 S ATOM 313 CE MET A 28 9.935 -34.979 34.706 1.00 0.00 C ATOM 0 H MET A 28 12.855 -39.070 33.301 1.00 0.00 H new ATOM 0 HA MET A 28 10.913 -38.878 31.245 1.00 0.00 H new ATOM 0 HB2 MET A 28 10.491 -38.495 33.676 1.00 0.00 H new ATOM 0 HB3 MET A 28 11.519 -37.077 33.632 1.00 0.00 H new ATOM 0 HG2 MET A 28 9.969 -35.989 32.040 1.00 0.00 H new ATOM 0 HG3 MET A 28 8.947 -37.413 32.052 1.00 0.00 H new ATOM 0 HE1 MET A 28 9.444 -34.316 35.418 1.00 0.00 H new ATOM 0 HE2 MET A 28 10.758 -35.497 35.199 1.00 0.00 H new ATOM 0 HE3 MET A 28 10.323 -34.393 33.873 1.00 0.00 H new ATOM 323 N VAL A 29 13.126 -36.430 31.538 1.00 0.00 N ATOM 324 CA VAL A 29 13.749 -35.300 30.858 1.00 0.00 C ATOM 325 C VAL A 29 14.408 -35.752 29.566 1.00 0.00 C ATOM 326 O VAL A 29 14.208 -35.152 28.512 1.00 0.00 O ATOM 327 CB VAL A 29 14.830 -34.640 31.734 1.00 0.00 C ATOM 328 CG1 VAL A 29 15.605 -33.604 30.934 1.00 0.00 C ATOM 329 CG2 VAL A 29 14.196 -33.948 32.931 1.00 0.00 C ATOM 0 H VAL A 29 13.532 -36.643 32.449 1.00 0.00 H new ATOM 0 HA VAL A 29 12.957 -34.580 30.652 1.00 0.00 H new ATOM 0 HB VAL A 29 15.506 -35.424 32.075 1.00 0.00 H new ATOM 0 HG11 VAL A 29 16.365 -33.148 31.569 1.00 0.00 H new ATOM 0 HG12 VAL A 29 16.085 -34.086 30.083 1.00 0.00 H new ATOM 0 HG13 VAL A 29 14.921 -32.834 30.576 1.00 0.00 H new ATOM 0 HG21 VAL A 29 14.974 -33.487 33.539 1.00 0.00 H new ATOM 0 HG22 VAL A 29 13.505 -33.180 32.583 1.00 0.00 H new ATOM 0 HG23 VAL A 29 13.654 -34.680 33.529 1.00 0.00 H new ATOM 339 N VAL A 30 15.198 -36.818 29.666 1.00 0.00 N ATOM 340 CA VAL A 30 15.904 -37.376 28.518 1.00 0.00 C ATOM 341 C VAL A 30 14.923 -37.744 27.416 1.00 0.00 C ATOM 342 O VAL A 30 15.174 -37.497 26.239 1.00 0.00 O ATOM 343 CB VAL A 30 16.686 -38.647 28.899 1.00 0.00 C ATOM 344 CG1 VAL A 30 17.239 -39.325 27.655 1.00 0.00 C ATOM 345 CG2 VAL A 30 17.849 -38.302 29.816 1.00 0.00 C ATOM 0 H VAL A 30 15.366 -37.316 30.540 1.00 0.00 H new ATOM 0 HA VAL A 30 16.599 -36.611 28.172 1.00 0.00 H new ATOM 0 HB VAL A 30 15.998 -39.319 29.412 1.00 0.00 H new ATOM 0 HG11 VAL A 30 17.789 -40.221 27.943 1.00 0.00 H new ATOM 0 HG12 VAL A 30 16.417 -39.600 26.995 1.00 0.00 H new ATOM 0 HG13 VAL A 30 17.909 -38.640 27.135 1.00 0.00 H new ATOM 0 HG21 VAL A 30 18.390 -39.212 30.075 1.00 0.00 H new ATOM 0 HG22 VAL A 30 18.522 -37.612 29.307 1.00 0.00 H new ATOM 0 HG23 VAL A 30 17.470 -37.834 30.725 1.00 0.00 H new ATOM 355 N VAL A 31 13.803 -38.338 27.820 1.00 0.00 N ATOM 356 CA VAL A 31 12.760 -38.754 26.886 1.00 0.00 C ATOM 357 C VAL A 31 11.996 -37.546 26.367 1.00 0.00 C ATOM 358 O VAL A 31 11.775 -37.408 25.167 1.00 0.00 O ATOM 359 CB VAL A 31 11.748 -39.702 27.556 1.00 0.00 C ATOM 360 CG1 VAL A 31 10.576 -39.973 26.625 1.00 0.00 C ATOM 361 CG2 VAL A 31 12.407 -41.029 27.899 1.00 0.00 C ATOM 0 H VAL A 31 13.593 -38.543 28.797 1.00 0.00 H new ATOM 0 HA VAL A 31 13.258 -39.272 26.066 1.00 0.00 H new ATOM 0 HB VAL A 31 11.393 -39.220 28.467 1.00 0.00 H new ATOM 0 HG11 VAL A 31 9.870 -40.645 27.114 1.00 0.00 H new ATOM 0 HG12 VAL A 31 10.077 -39.034 26.386 1.00 0.00 H new ATOM 0 HG13 VAL A 31 10.940 -40.435 25.707 1.00 0.00 H new ATOM 0 HG21 VAL A 31 11.677 -41.686 28.372 1.00 0.00 H new ATOM 0 HG22 VAL A 31 12.780 -41.496 26.988 1.00 0.00 H new ATOM 0 HG23 VAL A 31 13.237 -40.857 28.584 1.00 0.00 H new ATOM 371 N ILE A 32 11.603 -36.676 27.292 1.00 0.00 N ATOM 372 CA ILE A 32 10.860 -35.465 26.957 1.00 0.00 C ATOM 373 C ILE A 32 11.688 -34.564 26.055 1.00 0.00 C ATOM 374 O ILE A 32 11.228 -34.130 25.001 1.00 0.00 O ATOM 375 CB ILE A 32 10.492 -34.662 28.218 1.00 0.00 C ATOM 376 CG1 ILE A 32 9.478 -35.434 29.065 1.00 0.00 C ATOM 377 CG2 ILE A 32 9.880 -33.323 27.837 1.00 0.00 C ATOM 378 CD1 ILE A 32 9.247 -34.837 30.436 1.00 0.00 C ATOM 0 H ILE A 32 11.789 -36.789 28.289 1.00 0.00 H new ATOM 0 HA ILE A 32 9.950 -35.783 26.448 1.00 0.00 H new ATOM 0 HB ILE A 32 11.406 -34.501 28.789 1.00 0.00 H new ATOM 0 HG12 ILE A 32 8.528 -35.474 28.532 1.00 0.00 H new ATOM 0 HG13 ILE A 32 9.822 -36.462 29.180 1.00 0.00 H new ATOM 0 HG21 ILE A 32 9.626 -32.769 28.741 1.00 0.00 H new ATOM 0 HG22 ILE A 32 10.597 -32.750 27.249 1.00 0.00 H new ATOM 0 HG23 ILE A 32 8.978 -33.490 27.248 1.00 0.00 H new ATOM 0 HD11 ILE A 32 8.516 -35.439 30.977 1.00 0.00 H new ATOM 0 HD12 ILE A 32 10.186 -34.822 30.989 1.00 0.00 H new ATOM 0 HD13 ILE A 32 8.872 -33.819 30.331 1.00 0.00 H new ATOM 390 N VAL A 33 12.917 -34.291 26.487 1.00 0.00 N ATOM 391 CA VAL A 33 13.836 -33.443 25.737 1.00 0.00 C ATOM 392 C VAL A 33 14.392 -34.191 24.535 1.00 0.00 C ATOM 393 O VAL A 33 14.406 -33.674 23.421 1.00 0.00 O ATOM 394 CB VAL A 33 15.025 -32.993 26.606 1.00 0.00 C ATOM 395 CG1 VAL A 33 16.060 -32.268 25.758 1.00 0.00 C ATOM 396 CG2 VAL A 33 14.557 -32.051 27.704 1.00 0.00 C ATOM 0 H VAL A 33 13.301 -34.650 27.361 1.00 0.00 H new ATOM 0 HA VAL A 33 13.269 -32.570 25.415 1.00 0.00 H new ATOM 0 HB VAL A 33 15.469 -33.885 27.049 1.00 0.00 H new ATOM 0 HG11 VAL A 33 16.893 -31.957 26.388 1.00 0.00 H new ATOM 0 HG12 VAL A 33 16.425 -32.937 24.978 1.00 0.00 H new ATOM 0 HG13 VAL A 33 15.604 -31.390 25.299 1.00 0.00 H new ATOM 0 HG21 VAL A 33 15.411 -31.743 28.308 1.00 0.00 H new ATOM 0 HG22 VAL A 33 14.094 -31.172 27.256 1.00 0.00 H new ATOM 0 HG23 VAL A 33 13.830 -32.562 28.336 1.00 0.00 H new ATOM 406 N GLY A 34 14.848 -35.415 24.782 1.00 0.00 N ATOM 407 CA GLY A 34 15.413 -36.262 23.735 1.00 0.00 C ATOM 408 C GLY A 34 14.311 -36.817 22.847 1.00 0.00 C ATOM 409 O GLY A 34 14.361 -36.687 21.626 1.00 0.00 O ATOM 0 H GLY A 34 14.837 -35.846 25.706 1.00 0.00 H new ATOM 0 HA2 GLY A 34 16.117 -35.687 23.134 1.00 0.00 H new ATOM 0 HA3 GLY A 34 15.973 -37.082 24.185 1.00 0.00 H new ATOM 413 N ALA A 35 13.318 -37.433 23.480 1.00 0.00 N ATOM 414 CA ALA A 35 12.184 -38.020 22.770 1.00 0.00 C ATOM 415 C ALA A 35 11.288 -36.929 22.203 1.00 0.00 C ATOM 416 O ALA A 35 11.008 -36.901 21.007 1.00 0.00 O ATOM 417 CB ALA A 35 11.357 -38.882 23.712 1.00 0.00 C ATOM 0 H ALA A 35 13.275 -37.540 24.493 1.00 0.00 H new ATOM 0 HA ALA A 35 12.579 -38.632 21.959 1.00 0.00 H new ATOM 0 HB1 ALA A 35 10.516 -39.312 23.168 1.00 0.00 H new ATOM 0 HB2 ALA A 35 11.978 -39.683 24.112 1.00 0.00 H new ATOM 0 HB3 ALA A 35 10.983 -38.269 24.532 1.00 0.00 H new ATOM 423 N THR A 36 10.846 -36.033 23.082 1.00 0.00 N ATOM 424 CA THR A 36 9.979 -34.924 22.697 1.00 0.00 C ATOM 425 C THR A 36 10.698 -33.997 21.734 1.00 0.00 C ATOM 426 O THR A 36 10.210 -33.720 20.640 1.00 0.00 O ATOM 427 CB THR A 36 9.548 -34.094 23.920 1.00 0.00 C ATOM 428 OG1 THR A 36 8.816 -34.924 24.831 1.00 0.00 O ATOM 429 CG2 THR A 36 8.662 -32.934 23.491 1.00 0.00 C ATOM 0 H THR A 36 11.077 -36.055 24.075 1.00 0.00 H new ATOM 0 HA THR A 36 9.099 -35.360 22.224 1.00 0.00 H new ATOM 0 HB THR A 36 10.442 -33.703 24.405 1.00 0.00 H new ATOM 0 HG1 THR A 36 8.164 -34.379 25.319 1.00 0.00 H new ATOM 0 HG21 THR A 36 8.367 -32.358 24.368 1.00 0.00 H new ATOM 0 HG22 THR A 36 9.212 -32.291 22.803 1.00 0.00 H new ATOM 0 HG23 THR A 36 7.772 -33.320 22.994 1.00 0.00 H new ATOM 437 N ILE A 37 11.865 -33.519 22.158 1.00 0.00 N ATOM 438 CA ILE A 37 12.677 -32.614 21.351 1.00 0.00 C ATOM 439 C ILE A 37 13.342 -33.370 20.212 1.00 0.00 C ATOM 440 O ILE A 37 13.479 -32.852 19.105 1.00 0.00 O ATOM 441 CB ILE A 37 13.785 -31.950 22.190 1.00 0.00 C ATOM 442 CG1 ILE A 37 13.174 -31.008 23.229 1.00 0.00 C ATOM 443 CG2 ILE A 37 14.718 -31.145 21.298 1.00 0.00 C ATOM 444 CD1 ILE A 37 14.167 -30.503 24.254 1.00 0.00 C ATOM 0 H ILE A 37 12.272 -33.747 23.065 1.00 0.00 H new ATOM 0 HA ILE A 37 12.007 -31.848 20.962 1.00 0.00 H new ATOM 0 HB ILE A 37 14.345 -32.740 22.690 1.00 0.00 H new ATOM 0 HG12 ILE A 37 12.730 -30.155 22.716 1.00 0.00 H new ATOM 0 HG13 ILE A 37 12.365 -31.526 23.745 1.00 0.00 H new ATOM 0 HG21 ILE A 37 15.495 -30.683 21.907 1.00 0.00 H new ATOM 0 HG22 ILE A 37 15.178 -31.805 20.563 1.00 0.00 H new ATOM 0 HG23 ILE A 37 14.150 -30.369 20.784 1.00 0.00 H new ATOM 0 HD11 ILE A 37 13.660 -29.841 24.956 1.00 0.00 H new ATOM 0 HD12 ILE A 37 14.593 -31.348 24.795 1.00 0.00 H new ATOM 0 HD13 ILE A 37 14.964 -29.956 23.750 1.00 0.00 H new ATOM 456 N GLY A 38 13.753 -34.601 20.502 1.00 0.00 N ATOM 457 CA GLY A 38 14.411 -35.456 19.517 1.00 0.00 C ATOM 458 C GLY A 38 13.436 -35.854 18.422 1.00 0.00 C ATOM 459 O GLY A 38 13.748 -35.771 17.236 1.00 0.00 O ATOM 0 H GLY A 38 13.641 -35.032 21.419 1.00 0.00 H new ATOM 0 HA2 GLY A 38 15.262 -34.931 19.082 1.00 0.00 H new ATOM 0 HA3 GLY A 38 14.803 -36.348 20.005 1.00 0.00 H new ATOM 463 N ILE A 39 12.249 -36.288 18.839 1.00 0.00 N ATOM 464 CA ILE A 39 11.203 -36.708 17.913 1.00 0.00 C ATOM 465 C ILE A 39 10.830 -35.570 16.976 1.00 0.00 C ATOM 466 O ILE A 39 10.654 -35.772 15.777 1.00 0.00 O ATOM 467 CB ILE A 39 9.928 -37.141 18.660 1.00 0.00 C ATOM 468 CG1 ILE A 39 10.185 -38.425 19.453 1.00 0.00 C ATOM 469 CG2 ILE A 39 8.796 -37.400 17.678 1.00 0.00 C ATOM 470 CD1 ILE A 39 10.591 -39.602 18.593 1.00 0.00 C ATOM 0 H ILE A 39 11.987 -36.358 19.822 1.00 0.00 H new ATOM 0 HA ILE A 39 11.601 -37.552 17.350 1.00 0.00 H new ATOM 0 HB ILE A 39 9.649 -36.335 19.339 1.00 0.00 H new ATOM 0 HG12 ILE A 39 10.968 -38.237 20.188 1.00 0.00 H new ATOM 0 HG13 ILE A 39 9.283 -38.686 20.007 1.00 0.00 H new ATOM 0 HG21 ILE A 39 7.903 -37.705 18.224 1.00 0.00 H new ATOM 0 HG22 ILE A 39 8.585 -36.489 17.117 1.00 0.00 H new ATOM 0 HG23 ILE A 39 9.087 -38.192 16.988 1.00 0.00 H new ATOM 0 HD11 ILE A 39 10.756 -40.475 19.225 1.00 0.00 H new ATOM 0 HD12 ILE A 39 9.800 -39.818 17.875 1.00 0.00 H new ATOM 0 HD13 ILE A 39 11.510 -39.362 18.059 1.00 0.00 H new ATOM 482 N LYS A 40 10.715 -34.373 17.545 1.00 0.00 N ATOM 483 CA LYS A 40 10.365 -33.179 16.782 1.00 0.00 C ATOM 484 C LYS A 40 11.348 -32.967 15.643 1.00 0.00 C ATOM 485 O LYS A 40 10.955 -32.684 14.514 1.00 0.00 O ATOM 486 CB LYS A 40 10.393 -31.941 17.681 1.00 0.00 C ATOM 487 CG LYS A 40 9.991 -30.655 16.979 1.00 0.00 C ATOM 488 CD LYS A 40 9.987 -29.478 17.941 1.00 0.00 C ATOM 489 CE LYS A 40 9.599 -28.189 17.235 1.00 0.00 C ATOM 490 NZ LYS A 40 9.579 -27.029 18.169 1.00 0.00 N ATOM 0 H LYS A 40 10.861 -34.204 18.540 1.00 0.00 H new ATOM 0 HA LYS A 40 9.361 -33.324 16.382 1.00 0.00 H new ATOM 0 HB2 LYS A 40 9.725 -32.104 18.527 1.00 0.00 H new ATOM 0 HB3 LYS A 40 11.398 -31.822 18.086 1.00 0.00 H new ATOM 0 HG2 LYS A 40 10.681 -30.455 16.159 1.00 0.00 H new ATOM 0 HG3 LYS A 40 9.000 -30.772 16.540 1.00 0.00 H new ATOM 0 HD2 LYS A 40 9.289 -29.673 18.755 1.00 0.00 H new ATOM 0 HD3 LYS A 40 10.975 -29.367 18.388 1.00 0.00 H new ATOM 0 HE2 LYS A 40 10.303 -27.992 16.426 1.00 0.00 H new ATOM 0 HE3 LYS A 40 8.615 -28.306 16.780 1.00 0.00 H new ATOM 0 HZ1 LYS A 40 9.310 -26.169 17.649 1.00 0.00 H new ATOM 0 HZ2 LYS A 40 8.889 -27.205 18.927 1.00 0.00 H new ATOM 0 HZ3 LYS A 40 10.524 -26.901 18.584 1.00 0.00 H new ATOM 504 N LEU A 41 12.633 -33.107 15.958 1.00 0.00 N ATOM 505 CA LEU A 41 13.701 -32.936 14.978 1.00 0.00 C ATOM 506 C LEU A 41 13.473 -33.844 13.780 1.00 0.00 C ATOM 507 O LEU A 41 13.804 -33.492 12.650 1.00 0.00 O ATOM 508 CB LEU A 41 15.057 -33.282 15.597 1.00 0.00 C ATOM 509 CG LEU A 41 16.288 -32.993 14.737 1.00 0.00 C ATOM 510 CD1 LEU A 41 16.415 -31.503 14.461 1.00 0.00 C ATOM 511 CD2 LEU A 41 17.556 -33.456 15.439 1.00 0.00 C ATOM 0 H LEU A 41 12.962 -33.341 16.895 1.00 0.00 H new ATOM 0 HA LEU A 41 13.696 -31.894 14.659 1.00 0.00 H new ATOM 0 HB2 LEU A 41 15.156 -32.732 16.533 1.00 0.00 H new ATOM 0 HB3 LEU A 41 15.057 -34.342 15.849 1.00 0.00 H new ATOM 0 HG LEU A 41 16.163 -33.535 13.799 1.00 0.00 H new ATOM 0 HD11 LEU A 41 17.297 -31.320 13.848 1.00 0.00 H new ATOM 0 HD12 LEU A 41 15.528 -31.154 13.933 1.00 0.00 H new ATOM 0 HD13 LEU A 41 16.511 -30.965 15.404 1.00 0.00 H new ATOM 0 HD21 LEU A 41 18.420 -33.241 14.810 1.00 0.00 H new ATOM 0 HD22 LEU A 41 17.659 -32.930 16.388 1.00 0.00 H new ATOM 0 HD23 LEU A 41 17.499 -34.529 15.623 1.00 0.00 H new ATOM 523 N PHE A 42 12.903 -35.016 14.046 1.00 0.00 N ATOM 524 CA PHE A 42 12.618 -35.998 13.005 1.00 0.00 C ATOM 525 C PHE A 42 11.641 -35.430 11.991 1.00 0.00 C ATOM 526 O PHE A 42 11.824 -35.582 10.785 1.00 0.00 O ATOM 527 CB PHE A 42 12.004 -37.261 13.613 1.00 0.00 C ATOM 528 CG PHE A 42 11.694 -38.330 12.605 1.00 0.00 C ATOM 529 CD1 PHE A 42 12.699 -39.132 12.093 1.00 0.00 C ATOM 530 CD2 PHE A 42 10.396 -38.534 12.168 1.00 0.00 C ATOM 531 CE1 PHE A 42 12.413 -40.115 11.165 1.00 0.00 C ATOM 532 CE2 PHE A 42 10.111 -39.517 11.240 1.00 0.00 C ATOM 533 CZ PHE A 42 11.113 -40.307 10.739 1.00 0.00 C ATOM 0 H PHE A 42 12.627 -35.310 14.983 1.00 0.00 H new ATOM 0 HA PHE A 42 13.560 -36.244 12.514 1.00 0.00 H new ATOM 0 HB2 PHE A 42 12.690 -37.665 14.358 1.00 0.00 H new ATOM 0 HB3 PHE A 42 11.087 -36.992 14.137 1.00 0.00 H new ATOM 0 HD1 PHE A 42 13.717 -38.988 12.422 1.00 0.00 H new ATOM 0 HD2 PHE A 42 9.598 -37.918 12.557 1.00 0.00 H new ATOM 0 HE1 PHE A 42 13.206 -40.734 10.772 1.00 0.00 H new ATOM 0 HE2 PHE A 42 9.094 -39.664 10.908 1.00 0.00 H new ATOM 0 HZ PHE A 42 10.887 -41.076 10.015 1.00 0.00 H new ATOM 543 N LYS A 43 10.600 -34.773 12.498 1.00 0.00 N ATOM 544 CA LYS A 43 9.574 -34.168 11.656 1.00 0.00 C ATOM 545 C LYS A 43 10.128 -32.954 10.928 1.00 0.00 C ATOM 546 O LYS A 43 9.882 -32.764 9.740 1.00 0.00 O ATOM 547 CB LYS A 43 8.381 -33.720 12.503 1.00 0.00 C ATOM 548 CG LYS A 43 7.559 -34.865 13.072 1.00 0.00 C ATOM 549 CD LYS A 43 6.385 -34.349 13.888 1.00 0.00 C ATOM 550 CE LYS A 43 5.563 -35.494 14.457 1.00 0.00 C ATOM 551 NZ LYS A 43 4.417 -35.004 15.272 1.00 0.00 N ATOM 0 H LYS A 43 10.446 -34.646 13.498 1.00 0.00 H new ATOM 0 HA LYS A 43 9.254 -34.918 10.933 1.00 0.00 H new ATOM 0 HB2 LYS A 43 8.744 -33.104 13.326 1.00 0.00 H new ATOM 0 HB3 LYS A 43 7.733 -33.089 11.894 1.00 0.00 H new ATOM 0 HG2 LYS A 43 7.192 -35.491 12.259 1.00 0.00 H new ATOM 0 HG3 LYS A 43 8.192 -35.494 13.698 1.00 0.00 H new ATOM 0 HD2 LYS A 43 6.752 -33.723 14.701 1.00 0.00 H new ATOM 0 HD3 LYS A 43 5.752 -33.720 13.262 1.00 0.00 H new ATOM 0 HE2 LYS A 43 5.190 -36.113 13.641 1.00 0.00 H new ATOM 0 HE3 LYS A 43 6.201 -36.128 15.072 1.00 0.00 H new ATOM 0 HZ1 LYS A 43 3.882 -35.815 15.642 1.00 0.00 H new ATOM 0 HZ2 LYS A 43 4.774 -34.434 16.065 1.00 0.00 H new ATOM 0 HZ3 LYS A 43 3.794 -34.420 14.679 1.00 0.00 H new ATOM 565 N LYS A 44 10.880 -32.138 11.662 1.00 0.00 N ATOM 566 CA LYS A 44 11.486 -30.929 11.112 1.00 0.00 C ATOM 567 C LYS A 44 12.666 -31.284 10.221 1.00 0.00 C ATOM 568 O LYS A 44 12.811 -30.751 9.123 1.00 0.00 O ATOM 569 CB LYS A 44 11.985 -30.020 12.237 1.00 0.00 C ATOM 570 CG LYS A 44 10.876 -29.360 13.040 1.00 0.00 C ATOM 571 CD LYS A 44 11.434 -28.605 14.235 1.00 0.00 C ATOM 572 CE LYS A 44 12.241 -27.395 13.796 1.00 0.00 C ATOM 573 NZ LYS A 44 12.714 -26.591 14.956 1.00 0.00 N ATOM 0 H LYS A 44 11.086 -32.295 12.649 1.00 0.00 H new ATOM 0 HA LYS A 44 10.725 -30.411 10.529 1.00 0.00 H new ATOM 0 HB2 LYS A 44 12.609 -30.605 12.912 1.00 0.00 H new ATOM 0 HB3 LYS A 44 12.620 -29.244 11.808 1.00 0.00 H new ATOM 0 HG2 LYS A 44 10.320 -28.674 12.401 1.00 0.00 H new ATOM 0 HG3 LYS A 44 10.172 -30.118 13.383 1.00 0.00 H new ATOM 0 HD2 LYS A 44 10.616 -28.284 14.880 1.00 0.00 H new ATOM 0 HD3 LYS A 44 12.064 -29.270 14.826 1.00 0.00 H new ATOM 0 HE2 LYS A 44 13.098 -27.724 13.209 1.00 0.00 H new ATOM 0 HE3 LYS A 44 11.631 -26.769 13.145 1.00 0.00 H new ATOM 0 HZ1 LYS A 44 13.260 -25.775 14.613 1.00 0.00 H new ATOM 0 HZ2 LYS A 44 11.895 -26.255 15.502 1.00 0.00 H new ATOM 0 HZ3 LYS A 44 13.317 -27.181 15.564 1.00 0.00 H new ATOM 587 N PHE A 45 13.504 -32.190 10.713 1.00 0.00 N ATOM 588 CA PHE A 45 14.685 -32.641 9.981 1.00 0.00 C ATOM 589 C PHE A 45 14.288 -33.576 8.851 1.00 0.00 C ATOM 590 O PHE A 45 14.806 -33.481 7.741 1.00 0.00 O ATOM 591 CB PHE A 45 15.640 -33.389 10.913 1.00 0.00 C ATOM 592 CG PHE A 45 16.902 -33.852 10.244 1.00 0.00 C ATOM 593 CD1 PHE A 45 17.934 -32.965 9.989 1.00 0.00 C ATOM 594 CD2 PHE A 45 17.058 -35.175 9.868 1.00 0.00 C ATOM 595 CE1 PHE A 45 19.095 -33.391 9.373 1.00 0.00 C ATOM 596 CE2 PHE A 45 18.220 -35.601 9.252 1.00 0.00 C ATOM 597 CZ PHE A 45 19.236 -34.715 9.004 1.00 0.00 C ATOM 0 H PHE A 45 13.386 -32.631 11.625 1.00 0.00 H new ATOM 0 HA PHE A 45 15.179 -31.759 9.574 1.00 0.00 H new ATOM 0 HB2 PHE A 45 15.900 -32.739 11.749 1.00 0.00 H new ATOM 0 HB3 PHE A 45 15.123 -34.253 11.330 1.00 0.00 H new ATOM 0 HD1 PHE A 45 17.830 -31.929 10.275 1.00 0.00 H new ATOM 0 HD2 PHE A 45 16.264 -35.882 10.058 1.00 0.00 H new ATOM 0 HE1 PHE A 45 19.893 -32.689 9.180 1.00 0.00 H new ATOM 0 HE2 PHE A 45 18.328 -36.637 8.965 1.00 0.00 H new ATOM 0 HZ PHE A 45 20.143 -35.050 8.522 1.00 0.00 H new ATOM 607 N THR A 46 13.360 -34.480 9.152 1.00 0.00 N ATOM 608 CA THR A 46 12.871 -35.451 8.178 1.00 0.00 C ATOM 609 C THR A 46 11.935 -34.782 7.184 1.00 0.00 C ATOM 610 O THR A 46 12.020 -35.018 5.981 1.00 0.00 O ATOM 611 CB THR A 46 12.098 -36.595 8.861 1.00 0.00 C ATOM 612 OG1 THR A 46 12.960 -37.274 9.782 1.00 0.00 O ATOM 613 CG2 THR A 46 11.600 -37.592 7.826 1.00 0.00 C ATOM 0 H THR A 46 12.928 -34.560 10.072 1.00 0.00 H new ATOM 0 HA THR A 46 13.745 -35.856 7.668 1.00 0.00 H new ATOM 0 HB THR A 46 11.245 -36.170 9.390 1.00 0.00 H new ATOM 0 HG1 THR A 46 12.525 -37.327 10.659 1.00 0.00 H new ATOM 0 HG21 THR A 46 11.056 -38.394 8.325 1.00 0.00 H new ATOM 0 HG22 THR A 46 10.937 -37.087 7.123 1.00 0.00 H new ATOM 0 HG23 THR A 46 12.449 -38.011 7.286 1.00 0.00 H new ATOM 621 N SER A 47 11.046 -33.943 7.705 1.00 0.00 N ATOM 622 CA SER A 47 10.078 -33.222 6.884 1.00 0.00 C ATOM 623 C SER A 47 10.756 -32.084 6.138 1.00 0.00 C ATOM 624 O SER A 47 10.495 -31.859 4.959 1.00 0.00 O ATOM 625 CB SER A 47 8.967 -32.634 7.757 1.00 0.00 C ATOM 626 OG SER A 47 8.026 -31.921 6.973 1.00 0.00 O ATOM 0 H SER A 47 10.975 -33.744 8.703 1.00 0.00 H new ATOM 0 HA SER A 47 9.653 -33.930 6.172 1.00 0.00 H new ATOM 0 HB2 SER A 47 8.462 -33.435 8.297 1.00 0.00 H new ATOM 0 HB3 SER A 47 9.401 -31.969 8.504 1.00 0.00 H new ATOM 0 HG SER A 47 7.326 -31.557 7.554 1.00 0.00 H new ATOM 632 N LYS A 48 11.628 -31.374 6.846 1.00 0.00 N ATOM 633 CA LYS A 48 12.364 -30.248 6.276 1.00 0.00 C ATOM 634 C LYS A 48 13.468 -30.744 5.356 1.00 0.00 C ATOM 635 O LYS A 48 13.703 -30.178 4.290 1.00 0.00 O ATOM 636 CB LYS A 48 13.000 -29.407 7.385 1.00 0.00 C ATOM 637 CG LYS A 48 12.001 -28.623 8.220 1.00 0.00 C ATOM 638 CD LYS A 48 11.296 -27.565 7.388 1.00 0.00 C ATOM 639 CE LYS A 48 10.331 -26.750 8.233 1.00 0.00 C ATOM 640 NZ LYS A 48 9.604 -25.734 7.423 1.00 0.00 N ATOM 0 H LYS A 48 11.845 -31.560 7.825 1.00 0.00 H new ATOM 0 HA LYS A 48 11.657 -29.641 5.711 1.00 0.00 H new ATOM 0 HB2 LYS A 48 13.570 -30.063 8.042 1.00 0.00 H new ATOM 0 HB3 LYS A 48 13.709 -28.710 6.937 1.00 0.00 H new ATOM 0 HG2 LYS A 48 11.264 -29.305 8.645 1.00 0.00 H new ATOM 0 HG3 LYS A 48 12.515 -28.148 9.056 1.00 0.00 H new ATOM 0 HD2 LYS A 48 12.035 -26.903 6.936 1.00 0.00 H new ATOM 0 HD3 LYS A 48 10.754 -28.043 6.572 1.00 0.00 H new ATOM 0 HE2 LYS A 48 9.612 -27.417 8.708 1.00 0.00 H new ATOM 0 HE3 LYS A 48 10.880 -26.252 9.032 1.00 0.00 H new ATOM 0 HZ1 LYS A 48 8.956 -25.200 8.037 1.00 0.00 H new ATOM 0 HZ2 LYS A 48 10.288 -25.081 6.990 1.00 0.00 H new ATOM 0 HZ3 LYS A 48 9.059 -26.210 6.676 1.00 0.00 H new ATOM 654 N ALA A 49 14.139 -31.810 5.785 1.00 0.00 N ATOM 655 CA ALA A 49 15.227 -32.406 5.017 1.00 0.00 C ATOM 0 H ALA A 49 13.945 -32.282 6.668 1.00 0.00 H new