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=-0.87) USER MOD Single : A 17 SER OG : rot 76:sc= 1.04 USER MOD Single : A 19 THR OG1 : rot 89:sc= -0.834! USER MOD Single : A 21 MET CE :methyl -164:sc= -0.022 (180deg=-0.331) USER MOD Single : A 24 TYR OH : rot 180:sc= 0 USER MOD Single : A 28 MET CE :methyl 166:sc=-0.00672 (180deg=-0.227) 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 124:sc= 1.1 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 14.882 -47.403 30.519 1.00 0.00 C ATOM 2 C PRO A 6 15.520 -46.509 29.468 1.00 0.00 C ATOM 3 O PRO A 6 14.874 -46.111 28.501 1.00 0.00 O ATOM 5 N ALA A 7 16.797 -46.199 29.675 1.00 0.00 N ATOM 6 CA ALA A 7 17.553 -45.351 28.759 1.00 0.00 C ATOM 7 C ALA A 7 17.825 -46.084 27.456 1.00 0.00 C ATOM 8 O ALA A 7 17.791 -45.492 26.380 1.00 0.00 O ATOM 9 CB ALA A 7 18.886 -44.958 29.378 1.00 0.00 C ATOM 0 H ALA A 7 17.334 -46.527 30.478 1.00 0.00 H new ATOM 0 HA ALA A 7 16.958 -44.459 28.563 1.00 0.00 H new ATOM 0 HB1 ALA A 7 19.438 -44.326 28.682 1.00 0.00 H new ATOM 0 HB2 ALA A 7 18.710 -44.411 30.304 1.00 0.00 H new ATOM 0 HB3 ALA A 7 19.467 -45.855 29.592 1.00 0.00 H new ATOM 15 N LYS A 8 18.095 -47.383 27.573 1.00 0.00 N ATOM 16 CA LYS A 8 18.379 -48.227 26.416 1.00 0.00 C ATOM 17 C LYS A 8 17.293 -48.071 25.364 1.00 0.00 C ATOM 18 O LYS A 8 17.580 -47.941 24.176 1.00 0.00 O ATOM 19 CB LYS A 8 18.444 -49.699 26.829 1.00 0.00 C ATOM 20 CG LYS A 8 18.800 -50.647 25.696 1.00 0.00 C ATOM 21 CD LYS A 8 18.902 -52.081 26.187 1.00 0.00 C ATOM 22 CE LYS A 8 19.244 -53.031 25.051 1.00 0.00 C ATOM 23 NZ LYS A 8 19.359 -54.440 25.520 1.00 0.00 N ATOM 0 H LYS A 8 18.123 -47.876 28.465 1.00 0.00 H new ATOM 0 HA LYS A 8 19.339 -47.915 26.006 1.00 0.00 H new ATOM 0 HB2 LYS A 8 19.180 -49.809 27.625 1.00 0.00 H new ATOM 0 HB3 LYS A 8 17.479 -49.992 27.244 1.00 0.00 H new ATOM 0 HG2 LYS A 8 18.044 -50.581 24.913 1.00 0.00 H new ATOM 0 HG3 LYS A 8 19.748 -50.345 25.250 1.00 0.00 H new ATOM 0 HD2 LYS A 8 19.665 -52.149 26.963 1.00 0.00 H new ATOM 0 HD3 LYS A 8 17.958 -52.380 26.642 1.00 0.00 H new ATOM 0 HE2 LYS A 8 18.476 -52.967 24.280 1.00 0.00 H new ATOM 0 HE3 LYS A 8 20.183 -52.724 24.591 1.00 0.00 H new ATOM 0 HZ1 LYS A 8 19.593 -55.056 24.715 1.00 0.00 H new ATOM 0 HZ2 LYS A 8 20.109 -54.507 26.237 1.00 0.00 H new ATOM 0 HZ3 LYS A 8 18.455 -54.742 25.936 1.00 0.00 H new ATOM 37 N ALA A 9 16.044 -48.086 25.820 1.00 0.00 N ATOM 38 CA ALA A 9 14.890 -47.947 24.937 1.00 0.00 C ATOM 39 C ALA A 9 14.772 -46.517 24.436 1.00 0.00 C ATOM 40 O ALA A 9 14.349 -46.277 23.307 1.00 0.00 O ATOM 41 CB ALA A 9 13.610 -48.306 25.677 1.00 0.00 C ATOM 0 H ALA A 9 15.804 -48.194 26.805 1.00 0.00 H new ATOM 0 HA ALA A 9 15.032 -48.622 24.093 1.00 0.00 H new ATOM 0 HB1 ALA A 9 12.759 -48.197 25.005 1.00 0.00 H new ATOM 0 HB2 ALA A 9 13.668 -49.337 26.025 1.00 0.00 H new ATOM 0 HB3 ALA A 9 13.485 -47.641 26.532 1.00 0.00 H new ATOM 47 N ALA A 10 15.152 -45.574 25.292 1.00 0.00 N ATOM 48 CA ALA A 10 15.100 -44.154 24.962 1.00 0.00 C ATOM 49 C ALA A 10 16.118 -43.819 23.884 1.00 0.00 C ATOM 50 O ALA A 10 15.806 -43.136 22.911 1.00 0.00 O ATOM 51 CB ALA A 10 15.406 -43.312 26.191 1.00 0.00 C ATOM 0 H ALA A 10 15.503 -45.771 26.229 1.00 0.00 H new ATOM 0 HA ALA A 10 14.095 -43.933 24.602 1.00 0.00 H new ATOM 0 HB1 ALA A 10 15.363 -42.255 25.928 1.00 0.00 H new ATOM 0 HB2 ALA A 10 14.671 -43.522 26.968 1.00 0.00 H new ATOM 0 HB3 ALA A 10 16.403 -43.554 26.559 1.00 0.00 H new ATOM 57 N PHE A 11 17.339 -44.312 24.073 1.00 0.00 N ATOM 58 CA PHE A 11 18.429 -44.081 23.129 1.00 0.00 C ATOM 59 C PHE A 11 18.228 -44.913 21.873 1.00 0.00 C ATOM 60 O PHE A 11 18.431 -44.432 20.759 1.00 0.00 O ATOM 61 CB PHE A 11 19.771 -44.466 23.755 1.00 0.00 C ATOM 62 CG PHE A 11 20.951 -44.219 22.859 1.00 0.00 C ATOM 63 CD1 PHE A 11 21.457 -42.942 22.693 1.00 0.00 C ATOM 64 CD2 PHE A 11 21.555 -45.264 22.183 1.00 0.00 C ATOM 65 CE1 PHE A 11 22.543 -42.715 21.869 1.00 0.00 C ATOM 66 CE2 PHE A 11 22.641 -45.037 21.358 1.00 0.00 C ATOM 67 CZ PHE A 11 23.135 -43.769 21.200 1.00 0.00 C ATOM 0 H PHE A 11 17.600 -44.879 24.879 1.00 0.00 H new ATOM 0 HA PHE A 11 18.431 -43.021 22.875 1.00 0.00 H new ATOM 0 HB2 PHE A 11 19.905 -43.904 24.679 1.00 0.00 H new ATOM 0 HB3 PHE A 11 19.746 -45.522 24.025 1.00 0.00 H new ATOM 0 HD1 PHE A 11 20.998 -42.114 23.213 1.00 0.00 H new ATOM 0 HD2 PHE A 11 21.174 -46.268 22.301 1.00 0.00 H new ATOM 0 HE1 PHE A 11 22.929 -41.714 21.748 1.00 0.00 H new ATOM 0 HE2 PHE A 11 23.102 -45.863 20.836 1.00 0.00 H new ATOM 0 HZ PHE A 11 23.984 -43.594 20.555 1.00 0.00 H new ATOM 77 N ASP A 12 17.829 -46.165 22.071 1.00 0.00 N ATOM 78 CA ASP A 12 17.592 -47.093 20.968 1.00 0.00 C ATOM 79 C ASP A 12 16.317 -46.723 20.226 1.00 0.00 C ATOM 80 O ASP A 12 16.250 -46.819 19.003 1.00 0.00 O ATOM 81 CB ASP A 12 17.449 -48.523 21.492 1.00 0.00 C ATOM 82 CG ASP A 12 17.414 -49.551 20.379 1.00 0.00 C ATOM 83 OD1 ASP A 12 18.366 -49.584 19.570 1.00 0.00 O ATOM 84 OD2 ASP A 12 16.436 -50.325 20.315 1.00 0.00 O ATOM 0 H ASP A 12 17.661 -46.565 22.994 1.00 0.00 H new ATOM 0 HA ASP A 12 18.445 -47.031 20.292 1.00 0.00 H new ATOM 0 HB2 ASP A 12 18.280 -48.746 22.161 1.00 0.00 H new ATOM 0 HB3 ASP A 12 16.536 -48.600 22.082 1.00 0.00 H new ATOM 90 N SER A 13 15.312 -46.299 20.986 1.00 0.00 N ATOM 91 CA SER A 13 14.022 -45.907 20.427 1.00 0.00 C ATOM 92 C SER A 13 14.175 -44.675 19.549 1.00 0.00 C ATOM 93 O SER A 13 13.633 -44.614 18.447 1.00 0.00 O ATOM 94 CB SER A 13 13.029 -45.584 21.545 1.00 0.00 C ATOM 95 OG SER A 13 11.772 -45.201 21.017 1.00 0.00 O ATOM 0 H SER A 13 15.368 -46.218 22.001 1.00 0.00 H new ATOM 0 HA SER A 13 13.650 -46.741 19.832 1.00 0.00 H new ATOM 0 HB2 SER A 13 12.906 -46.455 22.189 1.00 0.00 H new ATOM 0 HB3 SER A 13 13.425 -44.781 22.167 1.00 0.00 H new ATOM 0 HG SER A 13 11.155 -45.002 21.752 1.00 0.00 H new ATOM 101 N LEU A 14 14.924 -43.698 20.054 1.00 0.00 N ATOM 102 CA LEU A 14 15.169 -42.452 19.335 1.00 0.00 C ATOM 103 C LEU A 14 15.969 -42.715 18.070 1.00 0.00 C ATOM 104 O LEU A 14 15.625 -42.232 16.994 1.00 0.00 O ATOM 105 CB LEU A 14 15.956 -41.474 20.210 1.00 0.00 C ATOM 106 CG LEU A 14 16.264 -40.109 19.592 1.00 0.00 C ATOM 107 CD1 LEU A 14 14.980 -39.346 19.306 1.00 0.00 C ATOM 108 CD2 LEU A 14 17.115 -39.272 20.536 1.00 0.00 C ATOM 0 H LEU A 14 15.375 -43.747 20.967 1.00 0.00 H new ATOM 0 HA LEU A 14 14.201 -42.022 19.078 1.00 0.00 H new ATOM 0 HB2 LEU A 14 15.397 -41.314 21.132 1.00 0.00 H new ATOM 0 HB3 LEU A 14 16.899 -41.945 20.487 1.00 0.00 H new ATOM 0 HG LEU A 14 16.805 -40.286 18.662 1.00 0.00 H new ATOM 0 HD11 LEU A 14 15.222 -38.378 18.867 1.00 0.00 H new ATOM 0 HD12 LEU A 14 14.365 -39.917 18.610 1.00 0.00 H new ATOM 0 HD13 LEU A 14 14.431 -39.196 20.236 1.00 0.00 H new ATOM 0 HD21 LEU A 14 17.323 -38.305 20.078 1.00 0.00 H new ATOM 0 HD22 LEU A 14 16.579 -39.122 21.473 1.00 0.00 H new ATOM 0 HD23 LEU A 14 18.054 -39.789 20.734 1.00 0.00 H new ATOM 120 N GLN A 15 17.042 -43.488 18.219 1.00 0.00 N ATOM 121 CA GLN A 15 17.915 -43.834 17.101 1.00 0.00 C ATOM 122 C GLN A 15 17.112 -44.457 15.971 1.00 0.00 C ATOM 123 O GLN A 15 17.340 -44.166 14.799 1.00 0.00 O ATOM 124 CB GLN A 15 18.982 -44.836 17.545 1.00 0.00 C ATOM 125 CG GLN A 15 19.990 -45.190 16.463 1.00 0.00 C ATOM 126 CD GLN A 15 21.069 -46.133 16.958 1.00 0.00 C ATOM 127 OE1 GLN A 15 21.063 -46.545 18.118 1.00 0.00 O ATOM 128 NE2 GLN A 15 22.000 -46.480 16.076 1.00 0.00 N ATOM 0 H GLN A 15 17.329 -43.890 19.112 1.00 0.00 H new ATOM 0 HA GLN A 15 18.390 -42.916 16.755 1.00 0.00 H new ATOM 0 HB2 GLN A 15 19.515 -44.426 18.403 1.00 0.00 H new ATOM 0 HB3 GLN A 15 18.490 -45.749 17.881 1.00 0.00 H new ATOM 0 HG2 GLN A 15 19.469 -45.649 15.622 1.00 0.00 H new ATOM 0 HG3 GLN A 15 20.454 -44.277 16.091 1.00 0.00 H new ATOM 0 HE21 GLN A 15 21.964 -46.113 15.125 1.00 0.00 H new ATOM 0 HE22 GLN A 15 22.751 -47.114 16.350 1.00 0.00 H new ATOM 137 N ALA A 16 16.169 -45.319 16.345 1.00 0.00 N ATOM 138 CA ALA A 16 15.312 -46.004 15.380 1.00 0.00 C ATOM 139 C ALA A 16 14.301 -45.036 14.787 1.00 0.00 C ATOM 140 O ALA A 16 14.126 -44.972 13.572 1.00 0.00 O ATOM 141 CB ALA A 16 14.556 -47.139 16.054 1.00 0.00 C ATOM 0 H ALA A 16 15.978 -45.561 17.317 1.00 0.00 H new ATOM 0 HA ALA A 16 15.949 -46.402 14.590 1.00 0.00 H new ATOM 0 HB1 ALA A 16 13.922 -47.639 15.322 1.00 0.00 H new ATOM 0 HB2 ALA A 16 15.267 -47.854 16.468 1.00 0.00 H new ATOM 0 HB3 ALA A 16 13.937 -46.738 16.856 1.00 0.00 H new ATOM 147 N SER A 17 13.640 -44.288 15.664 1.00 0.00 N ATOM 148 CA SER A 17 12.634 -43.309 15.255 1.00 0.00 C ATOM 149 C SER A 17 13.231 -42.310 14.278 1.00 0.00 C ATOM 150 O SER A 17 12.712 -42.113 13.182 1.00 0.00 O ATOM 151 CB SER A 17 12.107 -42.542 16.470 1.00 0.00 C ATOM 152 OG SER A 17 11.395 -43.400 17.345 1.00 0.00 O ATOM 0 H SER A 17 13.784 -44.341 16.672 1.00 0.00 H new ATOM 0 HA SER A 17 11.818 -43.851 14.778 1.00 0.00 H new ATOM 0 HB2 SER A 17 12.939 -42.083 17.003 1.00 0.00 H new ATOM 0 HB3 SER A 17 11.456 -41.733 16.139 1.00 0.00 H new ATOM 0 HG SER A 17 12.029 -43.947 17.855 1.00 0.00 H new ATOM 158 N ALA A 18 14.331 -41.687 14.691 1.00 0.00 N ATOM 159 CA ALA A 18 15.025 -40.700 13.870 1.00 0.00 C ATOM 160 C ALA A 18 15.696 -41.372 12.684 1.00 0.00 C ATOM 161 O ALA A 18 15.848 -40.772 11.622 1.00 0.00 O ATOM 162 CB ALA A 18 16.091 -39.987 14.687 1.00 0.00 C ATOM 0 H ALA A 18 14.765 -41.851 15.600 1.00 0.00 H new ATOM 0 HA ALA A 18 14.286 -39.981 13.517 1.00 0.00 H new ATOM 0 HB1 ALA A 18 16.600 -39.254 14.061 1.00 0.00 H new ATOM 0 HB2 ALA A 18 15.624 -39.481 15.532 1.00 0.00 H new ATOM 0 HB3 ALA A 18 16.815 -40.714 15.055 1.00 0.00 H new ATOM 168 N THR A 19 16.097 -42.625 12.883 1.00 0.00 N ATOM 169 CA THR A 19 16.758 -43.408 11.844 1.00 0.00 C ATOM 170 C THR A 19 15.755 -43.852 10.792 1.00 0.00 C ATOM 171 O THR A 19 15.955 -43.639 9.598 1.00 0.00 O ATOM 172 CB THR A 19 17.424 -44.669 12.425 1.00 0.00 C ATOM 173 OG1 THR A 19 18.431 -44.289 13.371 1.00 0.00 O ATOM 174 CG2 THR A 19 18.071 -45.488 11.319 1.00 0.00 C ATOM 0 H THR A 19 15.974 -43.124 13.764 1.00 0.00 H new ATOM 0 HA THR A 19 17.519 -42.766 11.400 1.00 0.00 H new ATOM 0 HB THR A 19 16.658 -45.270 12.915 1.00 0.00 H new ATOM 0 HG1 THR A 19 18.030 -44.212 14.262 1.00 0.00 H new ATOM 0 HG21 THR A 19 18.537 -46.375 11.748 1.00 0.00 H new ATOM 0 HG22 THR A 19 17.311 -45.790 10.598 1.00 0.00 H new ATOM 0 HG23 THR A 19 18.829 -44.887 10.817 1.00 0.00 H new ATOM 182 N GLU A 20 14.673 -44.472 11.256 1.00 0.00 N ATOM 183 CA GLU A 20 13.615 -44.961 10.375 1.00 0.00 C ATOM 184 C GLU A 20 12.970 -43.807 9.627 1.00 0.00 C ATOM 185 O GLU A 20 12.695 -43.903 8.434 1.00 0.00 O ATOM 186 CB GLU A 20 12.532 -45.678 11.184 1.00 0.00 C ATOM 187 CG GLU A 20 12.980 -47.000 11.785 1.00 0.00 C ATOM 188 CD GLU A 20 11.900 -47.655 12.623 1.00 0.00 C ATOM 189 OE1 GLU A 20 10.818 -47.050 12.776 1.00 0.00 O ATOM 190 OE2 GLU A 20 12.135 -48.774 13.127 1.00 0.00 O ATOM 0 H GLU A 20 14.505 -44.649 12.246 1.00 0.00 H new ATOM 0 HA GLU A 20 14.068 -45.655 9.666 1.00 0.00 H new ATOM 0 HB2 GLU A 20 12.198 -45.021 11.987 1.00 0.00 H new ATOM 0 HB3 GLU A 20 11.671 -45.857 10.540 1.00 0.00 H new ATOM 0 HG2 GLU A 20 13.274 -47.678 10.984 1.00 0.00 H new ATOM 0 HG3 GLU A 20 13.863 -46.834 12.402 1.00 0.00 H new ATOM 198 N MET A 21 12.735 -42.714 10.349 1.00 0.00 N ATOM 199 CA MET A 21 12.120 -41.520 9.777 1.00 0.00 C ATOM 200 C MET A 21 13.025 -40.907 8.721 1.00 0.00 C ATOM 201 O MET A 21 12.557 -40.415 7.697 1.00 0.00 O ATOM 202 CB MET A 21 11.869 -40.473 10.864 1.00 0.00 C ATOM 203 CG MET A 21 10.781 -40.855 11.854 1.00 0.00 C ATOM 204 SD MET A 21 9.171 -41.068 11.071 1.00 0.00 S ATOM 205 CE MET A 21 8.802 -39.382 10.592 1.00 0.00 C ATOM 0 H MET A 21 12.964 -42.631 11.340 1.00 0.00 H new ATOM 0 HA MET A 21 11.174 -41.819 9.325 1.00 0.00 H new ATOM 0 HB2 MET A 21 12.797 -40.301 11.409 1.00 0.00 H new ATOM 0 HB3 MET A 21 11.599 -39.530 10.389 1.00 0.00 H new ATOM 0 HG2 MET A 21 11.061 -41.781 12.356 1.00 0.00 H new ATOM 0 HG3 MET A 21 10.708 -40.085 12.622 1.00 0.00 H new ATOM 0 HE1 MET A 21 7.741 -39.294 10.358 1.00 0.00 H new ATOM 0 HE2 MET A 21 9.050 -38.708 11.412 1.00 0.00 H new ATOM 0 HE3 MET A 21 9.390 -39.116 9.714 1.00 0.00 H new ATOM 215 N ILE A 22 14.328 -40.947 8.988 1.00 0.00 N ATOM 216 CA ILE A 22 15.328 -40.401 8.075 1.00 0.00 C ATOM 217 C ILE A 22 15.219 -41.062 6.711 1.00 0.00 C ATOM 218 O ILE A 22 15.482 -40.438 5.685 1.00 0.00 O ATOM 219 CB ILE A 22 16.757 -40.631 8.600 1.00 0.00 C ATOM 220 CG1 ILE A 22 17.753 -39.755 7.838 1.00 0.00 C ATOM 221 CG2 ILE A 22 17.162 -42.087 8.424 1.00 0.00 C ATOM 222 CD1 ILE A 22 19.122 -39.688 8.478 1.00 0.00 C ATOM 0 H ILE A 22 14.718 -41.356 9.837 1.00 0.00 H new ATOM 0 HA ILE A 22 15.136 -39.331 7.998 1.00 0.00 H new ATOM 0 HB ILE A 22 16.769 -40.371 9.658 1.00 0.00 H new ATOM 0 HG12 ILE A 22 17.855 -40.137 6.822 1.00 0.00 H new ATOM 0 HG13 ILE A 22 17.349 -38.746 7.760 1.00 0.00 H new ATOM 0 HG21 ILE A 22 18.175 -42.231 8.800 1.00 0.00 H new ATOM 0 HG22 ILE A 22 16.474 -42.726 8.979 1.00 0.00 H new ATOM 0 HG23 ILE A 22 17.127 -42.349 7.367 1.00 0.00 H new ATOM 0 HD11 ILE A 22 19.772 -39.049 7.881 1.00 0.00 H new ATOM 0 HD12 ILE A 22 19.034 -39.277 9.484 1.00 0.00 H new ATOM 0 HD13 ILE A 22 19.548 -40.690 8.532 1.00 0.00 H new ATOM 234 N GLY A 23 14.828 -42.334 6.717 1.00 0.00 N ATOM 235 CA GLY A 23 14.676 -43.109 5.490 1.00 0.00 C ATOM 236 C GLY A 23 13.457 -42.639 4.711 1.00 0.00 C ATOM 237 O GLY A 23 13.443 -42.671 3.483 1.00 0.00 O ATOM 0 H GLY A 23 14.609 -42.853 7.567 1.00 0.00 H new ATOM 0 HA2 GLY A 23 15.570 -43.006 4.875 1.00 0.00 H new ATOM 0 HA3 GLY A 23 14.575 -44.167 5.731 1.00 0.00 H new ATOM 241 N TYR A 24 12.439 -42.203 5.446 1.00 0.00 N ATOM 242 CA TYR A 24 11.197 -41.717 4.850 1.00 0.00 C ATOM 243 C TYR A 24 11.450 -40.449 4.054 1.00 0.00 C ATOM 244 O TYR A 24 10.986 -40.310 2.924 1.00 0.00 O ATOM 245 CB TYR A 24 10.166 -41.408 5.937 1.00 0.00 C ATOM 246 CG TYR A 24 9.544 -42.638 6.559 1.00 0.00 C ATOM 247 CD1 TYR A 24 8.489 -43.293 5.937 1.00 0.00 C ATOM 248 CD2 TYR A 24 10.013 -43.140 7.766 1.00 0.00 C ATOM 249 CE1 TYR A 24 7.914 -44.417 6.497 1.00 0.00 C ATOM 250 CE2 TYR A 24 9.451 -44.263 8.341 1.00 0.00 C ATOM 251 CZ TYR A 24 8.405 -44.900 7.710 1.00 0.00 C ATOM 252 OH TYR A 24 7.843 -46.019 8.281 1.00 0.00 O ATOM 0 H TYR A 24 12.450 -42.176 6.466 1.00 0.00 H new ATOM 0 HA TYR A 24 10.817 -42.498 4.191 1.00 0.00 H new ATOM 0 HB2 TYR A 24 10.643 -40.819 6.720 1.00 0.00 H new ATOM 0 HB3 TYR A 24 9.376 -40.790 5.510 1.00 0.00 H new ATOM 0 HD1 TYR A 24 8.111 -42.916 4.998 1.00 0.00 H new ATOM 0 HD2 TYR A 24 10.832 -42.643 8.264 1.00 0.00 H new ATOM 0 HE1 TYR A 24 7.094 -44.916 6.002 1.00 0.00 H new ATOM 0 HE2 TYR A 24 9.829 -44.640 9.280 1.00 0.00 H new ATOM 0 HH TYR A 24 8.302 -46.223 9.122 1.00 0.00 H new ATOM 262 N ALA A 25 12.193 -39.527 4.660 1.00 0.00 N ATOM 263 CA ALA A 25 12.526 -38.253 4.029 1.00 0.00 C ATOM 264 C ALA A 25 13.292 -38.483 2.737 1.00 0.00 C ATOM 265 O ALA A 25 12.963 -37.914 1.699 1.00 0.00 O ATOM 266 CB ALA A 25 13.388 -37.411 4.957 1.00 0.00 C ATOM 0 H ALA A 25 12.579 -39.641 5.597 1.00 0.00 H new ATOM 0 HA ALA A 25 11.592 -37.732 3.816 1.00 0.00 H new ATOM 0 HB1 ALA A 25 13.628 -36.465 4.472 1.00 0.00 H new ATOM 0 HB2 ALA A 25 12.845 -37.217 5.882 1.00 0.00 H new ATOM 0 HB3 ALA A 25 14.310 -37.947 5.183 1.00 0.00 H new ATOM 272 N TRP A 26 14.318 -39.326 2.820 1.00 0.00 N ATOM 273 CA TRP A 26 15.153 -39.653 1.668 1.00 0.00 C ATOM 274 C TRP A 26 14.328 -40.331 0.587 1.00 0.00 C ATOM 275 O TRP A 26 14.463 -40.025 -0.596 1.00 0.00 O ATOM 276 CB TRP A 26 16.284 -40.599 2.077 1.00 0.00 C ATOM 277 CG TRP A 26 17.192 -40.973 0.946 1.00 0.00 C ATOM 278 CD1 TRP A 26 17.221 -42.163 0.278 1.00 0.00 C ATOM 279 CD2 TRP A 26 18.203 -40.152 0.349 1.00 0.00 C ATOM 280 NE1 TRP A 26 18.187 -42.135 -0.699 1.00 0.00 N ATOM 281 CE2 TRP A 26 18.805 -40.910 -0.675 1.00 0.00 C ATOM 282 CE3 TRP A 26 18.659 -38.850 0.580 1.00 0.00 C ATOM 283 CZ2 TRP A 26 19.838 -40.410 -1.466 1.00 0.00 C ATOM 284 CZ3 TRP A 26 19.683 -38.359 -0.207 1.00 0.00 C ATOM 285 CH2 TRP A 26 20.263 -39.133 -1.217 1.00 0.00 C ATOM 0 H TRP A 26 14.593 -39.799 3.681 1.00 0.00 H new ATOM 0 HA TRP A 26 15.570 -38.721 1.286 1.00 0.00 H new ATOM 0 HB2 TRP A 26 16.873 -40.129 2.864 1.00 0.00 H new ATOM 0 HB3 TRP A 26 15.852 -41.506 2.501 1.00 0.00 H new ATOM 0 HD1 TRP A 26 16.578 -43.005 0.487 1.00 0.00 H new ATOM 0 HE1 TRP A 26 18.408 -42.899 -1.337 1.00 0.00 H new ATOM 0 HE3 TRP A 26 18.220 -38.242 1.357 1.00 0.00 H new ATOM 0 HZ2 TRP A 26 20.286 -41.008 -2.246 1.00 0.00 H new ATOM 0 HZ3 TRP A 26 20.044 -37.355 -0.038 1.00 0.00 H new ATOM 0 HH2 TRP A 26 21.062 -38.715 -1.812 1.00 0.00 H new ATOM 296 N ALA A 27 13.470 -41.255 1.012 1.00 0.00 N ATOM 297 CA ALA A 27 12.606 -41.996 0.099 1.00 0.00 C ATOM 298 C ALA A 27 11.583 -41.067 -0.537 1.00 0.00 C ATOM 299 O ALA A 27 11.364 -41.103 -1.745 1.00 0.00 O ATOM 300 CB ALA A 27 11.863 -43.093 0.845 1.00 0.00 C ATOM 0 H ALA A 27 13.355 -41.510 1.993 1.00 0.00 H new ATOM 0 HA ALA A 27 13.236 -42.436 -0.674 1.00 0.00 H new ATOM 0 HB1 ALA A 27 11.223 -43.636 0.150 1.00 0.00 H new ATOM 0 HB2 ALA A 27 12.582 -43.781 1.290 1.00 0.00 H new ATOM 0 HB3 ALA A 27 11.251 -42.649 1.630 1.00 0.00 H new ATOM 306 N MET A 28 10.962 -40.238 0.297 1.00 0.00 N ATOM 307 CA MET A 28 9.955 -39.284 -0.157 1.00 0.00 C ATOM 308 C MET A 28 10.596 -38.191 -0.997 1.00 0.00 C ATOM 309 O MET A 28 10.134 -37.886 -2.094 1.00 0.00 O ATOM 310 CB MET A 28 9.260 -38.629 1.038 1.00 0.00 C ATOM 311 CG MET A 28 8.151 -37.662 0.658 1.00 0.00 C ATOM 312 SD MET A 28 7.337 -36.937 2.094 1.00 0.00 S ATOM 313 CE MET A 28 8.628 -35.857 2.706 1.00 0.00 C ATOM 0 H MET A 28 11.141 -40.208 1.301 1.00 0.00 H new ATOM 0 HA MET A 28 9.226 -39.831 -0.755 1.00 0.00 H new ATOM 0 HB2 MET A 28 8.844 -39.409 1.675 1.00 0.00 H new ATOM 0 HB3 MET A 28 10.004 -38.097 1.630 1.00 0.00 H new ATOM 0 HG2 MET A 28 8.565 -36.866 0.040 1.00 0.00 H new ATOM 0 HG3 MET A 28 7.411 -38.184 0.051 1.00 0.00 H new ATOM 0 HE1 MET A 28 8.207 -35.161 3.431 1.00 0.00 H new ATOM 0 HE2 MET A 28 9.405 -36.453 3.185 1.00 0.00 H new ATOM 0 HE3 MET A 28 9.059 -35.299 1.875 1.00 0.00 H new ATOM 323 N VAL A 29 11.666 -37.609 -0.462 1.00 0.00 N ATOM 324 CA VAL A 29 12.396 -36.543 -1.142 1.00 0.00 C ATOM 325 C VAL A 29 13.008 -37.057 -2.434 1.00 0.00 C ATOM 326 O VAL A 29 12.867 -36.442 -3.488 1.00 0.00 O ATOM 327 CB VAL A 29 13.536 -35.991 -0.265 1.00 0.00 C ATOM 328 CG1 VAL A 29 14.407 -35.034 -1.064 1.00 0.00 C ATOM 329 CG2 VAL A 29 12.971 -35.242 0.932 1.00 0.00 C ATOM 0 H VAL A 29 12.049 -37.861 0.449 1.00 0.00 H new ATOM 0 HA VAL A 29 11.678 -35.749 -1.348 1.00 0.00 H new ATOM 0 HB VAL A 29 14.133 -36.837 0.076 1.00 0.00 H new ATOM 0 HG11 VAL A 29 15.207 -34.654 -0.429 1.00 0.00 H new ATOM 0 HG12 VAL A 29 14.839 -35.560 -1.916 1.00 0.00 H new ATOM 0 HG13 VAL A 29 13.800 -34.202 -1.421 1.00 0.00 H new ATOM 0 HG21 VAL A 29 13.790 -34.859 1.541 1.00 0.00 H new ATOM 0 HG22 VAL A 29 12.357 -34.411 0.585 1.00 0.00 H new ATOM 0 HG23 VAL A 29 12.360 -35.919 1.530 1.00 0.00 H new ATOM 339 N VAL A 30 13.691 -38.194 -2.334 1.00 0.00 N ATOM 340 CA VAL A 30 14.340 -38.819 -3.482 1.00 0.00 C ATOM 341 C VAL A 30 13.328 -39.090 -4.584 1.00 0.00 C ATOM 342 O VAL A 30 13.602 -38.868 -5.761 1.00 0.00 O ATOM 343 CB VAL A 30 14.994 -40.160 -3.100 1.00 0.00 C ATOM 344 CG1 VAL A 30 15.479 -40.890 -4.343 1.00 0.00 C ATOM 345 CG2 VAL A 30 16.185 -39.929 -2.183 1.00 0.00 C ATOM 0 H VAL A 30 13.810 -38.706 -1.460 1.00 0.00 H new ATOM 0 HA VAL A 30 15.106 -38.125 -3.828 1.00 0.00 H new ATOM 0 HB VAL A 30 14.243 -40.761 -2.588 1.00 0.00 H new ATOM 0 HG11 VAL A 30 15.938 -41.835 -4.054 1.00 0.00 H new ATOM 0 HG12 VAL A 30 14.634 -41.084 -5.004 1.00 0.00 H new ATOM 0 HG13 VAL A 30 16.213 -40.274 -4.863 1.00 0.00 H new ATOM 0 HG21 VAL A 30 16.635 -40.887 -1.923 1.00 0.00 H new ATOM 0 HG22 VAL A 30 16.922 -39.308 -2.693 1.00 0.00 H new ATOM 0 HG23 VAL A 30 15.853 -39.426 -1.275 1.00 0.00 H new ATOM 355 N VAL A 31 12.156 -39.573 -4.180 1.00 0.00 N ATOM 356 CA VAL A 31 11.077 -39.886 -5.114 1.00 0.00 C ATOM 357 C VAL A 31 10.434 -38.610 -5.633 1.00 0.00 C ATOM 358 O VAL A 31 10.227 -38.451 -6.833 1.00 0.00 O ATOM 359 CB VAL A 31 9.978 -40.731 -4.444 1.00 0.00 C ATOM 360 CG1 VAL A 31 8.785 -40.888 -5.374 1.00 0.00 C ATOM 361 CG2 VAL A 31 10.505 -42.116 -4.101 1.00 0.00 C ATOM 0 H VAL A 31 11.928 -39.758 -3.203 1.00 0.00 H new ATOM 0 HA VAL A 31 11.522 -40.450 -5.933 1.00 0.00 H new ATOM 0 HB VAL A 31 9.672 -40.215 -3.534 1.00 0.00 H new ATOM 0 HG11 VAL A 31 8.018 -41.488 -4.884 1.00 0.00 H new ATOM 0 HG12 VAL A 31 8.379 -39.905 -5.614 1.00 0.00 H new ATOM 0 HG13 VAL A 31 9.102 -41.383 -6.292 1.00 0.00 H new ATOM 0 HG21 VAL A 31 9.715 -42.699 -3.628 1.00 0.00 H new ATOM 0 HG22 VAL A 31 10.830 -42.617 -5.012 1.00 0.00 H new ATOM 0 HG23 VAL A 31 11.348 -42.025 -3.416 1.00 0.00 H new ATOM 371 N ILE A 32 10.126 -37.706 -4.708 1.00 0.00 N ATOM 372 CA ILE A 32 9.503 -36.429 -5.043 1.00 0.00 C ATOM 373 C ILE A 32 10.415 -35.612 -5.945 1.00 0.00 C ATOM 374 O ILE A 32 9.999 -35.136 -6.999 1.00 0.00 O ATOM 375 CB ILE A 32 9.213 -35.594 -3.782 1.00 0.00 C ATOM 376 CG1 ILE A 32 8.130 -36.266 -2.935 1.00 0.00 C ATOM 377 CG2 ILE A 32 8.733 -34.202 -4.163 1.00 0.00 C ATOM 378 CD1 ILE A 32 7.957 -35.649 -1.564 1.00 0.00 C ATOM 0 H ILE A 32 10.300 -37.836 -3.711 1.00 0.00 H new ATOM 0 HA ILE A 32 8.566 -36.658 -5.552 1.00 0.00 H new ATOM 0 HB ILE A 32 10.138 -35.521 -3.210 1.00 0.00 H new ATOM 0 HG12 ILE A 32 7.181 -36.215 -3.469 1.00 0.00 H new ATOM 0 HG13 ILE A 32 8.375 -37.322 -2.820 1.00 0.00 H new ATOM 0 HG21 ILE A 32 8.533 -33.626 -3.259 1.00 0.00 H new ATOM 0 HG22 ILE A 32 9.502 -33.700 -4.750 1.00 0.00 H new ATOM 0 HG23 ILE A 32 7.820 -34.281 -4.753 1.00 0.00 H new ATOM 0 HD11 ILE A 32 7.173 -36.178 -1.023 1.00 0.00 H new ATOM 0 HD12 ILE A 32 8.893 -35.724 -1.011 1.00 0.00 H new ATOM 0 HD13 ILE A 32 7.681 -34.600 -1.669 1.00 0.00 H new ATOM 390 N VAL A 33 11.664 -35.459 -5.513 1.00 0.00 N ATOM 391 CA VAL A 33 12.663 -34.704 -6.263 1.00 0.00 C ATOM 392 C VAL A 33 13.142 -35.502 -7.465 1.00 0.00 C ATOM 393 O VAL A 33 13.205 -34.989 -8.579 1.00 0.00 O ATOM 394 CB VAL A 33 13.891 -34.374 -5.394 1.00 0.00 C ATOM 395 CG1 VAL A 33 14.991 -33.753 -6.241 1.00 0.00 C ATOM 396 CG2 VAL A 33 13.517 -33.392 -4.295 1.00 0.00 C ATOM 0 H VAL A 33 12.011 -35.853 -4.638 1.00 0.00 H new ATOM 0 HA VAL A 33 12.185 -33.779 -6.584 1.00 0.00 H new ATOM 0 HB VAL A 33 14.246 -35.305 -4.952 1.00 0.00 H new ATOM 0 HG11 VAL A 33 15.851 -33.526 -5.611 1.00 0.00 H new ATOM 0 HG12 VAL A 33 15.288 -34.453 -7.022 1.00 0.00 H new ATOM 0 HG13 VAL A 33 14.624 -32.834 -6.698 1.00 0.00 H new ATOM 0 HG21 VAL A 33 14.397 -33.170 -3.691 1.00 0.00 H new ATOM 0 HG22 VAL A 33 13.142 -32.471 -4.742 1.00 0.00 H new ATOM 0 HG23 VAL A 33 12.744 -33.830 -3.663 1.00 0.00 H new ATOM 406 N GLY A 34 13.478 -36.764 -7.218 1.00 0.00 N ATOM 407 CA GLY A 34 13.958 -37.662 -8.265 1.00 0.00 C ATOM 408 C GLY A 34 12.808 -38.107 -9.153 1.00 0.00 C ATOM 409 O GLY A 34 12.870 -37.983 -10.374 1.00 0.00 O ATOM 0 H GLY A 34 13.426 -37.192 -6.293 1.00 0.00 H new ATOM 0 HA2 GLY A 34 14.715 -37.158 -8.866 1.00 0.00 H new ATOM 0 HA3 GLY A 34 14.436 -38.532 -7.815 1.00 0.00 H new ATOM 413 N ALA A 35 11.760 -38.626 -8.520 1.00 0.00 N ATOM 414 CA ALA A 35 10.575 -39.099 -9.230 1.00 0.00 C ATOM 415 C ALA A 35 9.790 -37.927 -9.797 1.00 0.00 C ATOM 416 O ALA A 35 9.513 -37.873 -10.993 1.00 0.00 O ATOM 417 CB ALA A 35 9.668 -39.876 -8.288 1.00 0.00 C ATOM 0 H ALA A 35 11.708 -38.730 -7.507 1.00 0.00 H new ATOM 0 HA ALA A 35 10.908 -39.746 -10.041 1.00 0.00 H new ATOM 0 HB1 ALA A 35 8.789 -40.222 -8.832 1.00 0.00 H new ATOM 0 HB2 ALA A 35 10.208 -40.734 -7.888 1.00 0.00 H new ATOM 0 HB3 ALA A 35 9.356 -39.230 -7.468 1.00 0.00 H new ATOM 423 N THR A 36 9.436 -36.993 -8.918 1.00 0.00 N ATOM 424 CA THR A 36 8.678 -35.806 -9.303 1.00 0.00 C ATOM 425 C THR A 36 9.485 -34.952 -10.266 1.00 0.00 C ATOM 426 O THR A 36 9.025 -34.630 -11.360 1.00 0.00 O ATOM 427 CB THR A 36 8.327 -34.939 -8.080 1.00 0.00 C ATOM 428 OG1 THR A 36 7.519 -35.697 -7.170 1.00 0.00 O ATOM 429 CG2 THR A 36 7.555 -33.700 -8.508 1.00 0.00 C ATOM 0 H THR A 36 9.665 -37.037 -7.925 1.00 0.00 H new ATOM 0 HA THR A 36 7.760 -36.155 -9.776 1.00 0.00 H new ATOM 0 HB THR A 36 9.254 -34.634 -7.595 1.00 0.00 H new ATOM 0 HG1 THR A 36 6.921 -35.093 -6.682 1.00 0.00 H new ATOM 0 HG21 THR A 36 7.316 -33.099 -7.631 1.00 0.00 H new ATOM 0 HG22 THR A 36 8.163 -33.112 -9.195 1.00 0.00 H new ATOM 0 HG23 THR A 36 6.632 -34.000 -9.005 1.00 0.00 H new ATOM 437 N ILE A 37 10.692 -34.589 -9.842 1.00 0.00 N ATOM 438 CA ILE A 37 11.588 -33.767 -10.649 1.00 0.00 C ATOM 439 C ILE A 37 12.178 -34.583 -11.788 1.00 0.00 C ATOM 440 O ILE A 37 12.363 -34.080 -12.895 1.00 0.00 O ATOM 441 CB ILE A 37 12.754 -33.213 -9.810 1.00 0.00 C ATOM 442 CG1 ILE A 37 12.237 -32.216 -8.771 1.00 0.00 C ATOM 443 CG2 ILE A 37 13.761 -32.502 -10.702 1.00 0.00 C ATOM 444 CD1 ILE A 37 13.274 -31.809 -7.746 1.00 0.00 C ATOM 0 H ILE A 37 11.075 -34.855 -8.935 1.00 0.00 H new ATOM 0 HA ILE A 37 10.994 -32.940 -11.039 1.00 0.00 H new ATOM 0 HB ILE A 37 13.234 -34.054 -9.309 1.00 0.00 H new ATOM 0 HG12 ILE A 37 11.878 -31.324 -9.284 1.00 0.00 H new ATOM 0 HG13 ILE A 37 11.382 -32.653 -8.255 1.00 0.00 H new ATOM 0 HG21 ILE A 37 14.578 -32.117 -10.093 1.00 0.00 H new ATOM 0 HG22 ILE A 37 14.156 -33.204 -11.437 1.00 0.00 H new ATOM 0 HG23 ILE A 37 13.271 -31.675 -11.217 1.00 0.00 H new ATOM 0 HD11 ILE A 37 12.833 -31.101 -7.044 1.00 0.00 H new ATOM 0 HD12 ILE A 37 13.617 -32.691 -7.205 1.00 0.00 H new ATOM 0 HD13 ILE A 37 14.120 -31.341 -8.250 1.00 0.00 H new ATOM 456 N GLY A 38 12.468 -35.848 -11.498 1.00 0.00 N ATOM 457 CA GLY A 38 13.039 -36.763 -12.483 1.00 0.00 C ATOM 458 C GLY A 38 12.030 -37.065 -13.578 1.00 0.00 C ATOM 459 O GLY A 38 12.349 -37.013 -14.764 1.00 0.00 O ATOM 0 H GLY A 38 12.315 -36.266 -10.580 1.00 0.00 H new ATOM 0 HA2 GLY A 38 13.936 -36.324 -12.919 1.00 0.00 H new ATOM 0 HA3 GLY A 38 13.342 -37.689 -11.995 1.00 0.00 H new ATOM 463 N ILE A 39 10.807 -37.383 -13.161 1.00 0.00 N ATOM 464 CA ILE A 39 9.725 -37.699 -14.087 1.00 0.00 C ATOM 465 C ILE A 39 9.464 -36.530 -15.024 1.00 0.00 C ATOM 466 O ILE A 39 9.269 -36.714 -16.223 1.00 0.00 O ATOM 467 CB ILE A 39 8.414 -38.007 -13.340 1.00 0.00 C ATOM 468 CG1 ILE A 39 8.545 -39.309 -12.548 1.00 0.00 C ATOM 469 CG2 ILE A 39 7.262 -38.153 -14.322 1.00 0.00 C ATOM 470 CD1 ILE A 39 8.834 -40.520 -13.408 1.00 0.00 C ATOM 0 H ILE A 39 10.540 -37.429 -12.178 1.00 0.00 H new ATOM 0 HA ILE A 39 10.040 -38.577 -14.650 1.00 0.00 H new ATOM 0 HB ILE A 39 8.215 -37.178 -12.660 1.00 0.00 H new ATOM 0 HG12 ILE A 39 9.343 -39.198 -11.813 1.00 0.00 H new ATOM 0 HG13 ILE A 39 7.622 -39.481 -11.993 1.00 0.00 H new ATOM 0 HG21 ILE A 39 6.344 -38.370 -13.776 1.00 0.00 H new ATOM 0 HG22 ILE A 39 7.141 -37.225 -14.881 1.00 0.00 H new ATOM 0 HG23 ILE A 39 7.475 -38.968 -15.014 1.00 0.00 H new ATOM 0 HD11 ILE A 39 8.913 -41.405 -12.776 1.00 0.00 H new ATOM 0 HD12 ILE A 39 8.025 -40.658 -14.126 1.00 0.00 H new ATOM 0 HD13 ILE A 39 9.772 -40.371 -13.943 1.00 0.00 H new ATOM 482 N LYS A 40 9.466 -35.328 -14.455 1.00 0.00 N ATOM 483 CA LYS A 40 9.233 -34.105 -15.218 1.00 0.00 C ATOM 484 C LYS A 40 10.232 -33.990 -16.357 1.00 0.00 C ATOM 485 O LYS A 40 9.867 -33.671 -17.486 1.00 0.00 O ATOM 486 CB LYS A 40 9.381 -32.876 -14.319 1.00 0.00 C ATOM 487 CG LYS A 40 9.105 -31.556 -15.021 1.00 0.00 C ATOM 488 CD LYS A 40 9.216 -30.385 -14.058 1.00 0.00 C ATOM 489 CE LYS A 40 8.954 -29.064 -14.763 1.00 0.00 C ATOM 490 NZ LYS A 40 9.047 -27.908 -13.830 1.00 0.00 N ATOM 0 H LYS A 40 9.628 -35.174 -13.460 1.00 0.00 H new ATOM 0 HA LYS A 40 8.220 -34.151 -15.618 1.00 0.00 H new ATOM 0 HB2 LYS A 40 8.701 -32.974 -13.473 1.00 0.00 H new ATOM 0 HB3 LYS A 40 10.393 -32.855 -13.914 1.00 0.00 H new ATOM 0 HG2 LYS A 40 9.811 -31.423 -15.841 1.00 0.00 H new ATOM 0 HG3 LYS A 40 8.107 -31.576 -15.459 1.00 0.00 H new ATOM 0 HD2 LYS A 40 8.503 -30.513 -13.243 1.00 0.00 H new ATOM 0 HD3 LYS A 40 10.211 -30.371 -13.612 1.00 0.00 H new ATOM 0 HE2 LYS A 40 9.673 -28.936 -15.572 1.00 0.00 H new ATOM 0 HE3 LYS A 40 7.963 -29.085 -15.217 1.00 0.00 H new ATOM 0 HZ1 LYS A 40 8.862 -27.027 -14.350 1.00 0.00 H new ATOM 0 HZ2 LYS A 40 8.344 -28.017 -13.071 1.00 0.00 H new ATOM 0 HZ3 LYS A 40 10.000 -27.872 -13.416 1.00 0.00 H new ATOM 504 N LEU A 41 11.497 -34.253 -16.042 1.00 0.00 N ATOM 505 CA LEU A 41 12.575 -34.186 -17.022 1.00 0.00 C ATOM 506 C LEU A 41 12.261 -35.067 -18.220 1.00 0.00 C ATOM 507 O LEU A 41 12.625 -34.749 -19.350 1.00 0.00 O ATOM 508 CB LEU A 41 13.891 -34.662 -16.404 1.00 0.00 C ATOM 509 CG LEU A 41 14.512 -33.748 -15.345 1.00 0.00 C ATOM 510 CD1 LEU A 41 15.740 -34.399 -14.727 1.00 0.00 C ATOM 511 CD2 LEU A 41 14.935 -32.423 -15.960 1.00 0.00 C ATOM 0 H LEU A 41 11.802 -34.517 -15.105 1.00 0.00 H new ATOM 0 HA LEU A 41 12.670 -33.148 -17.341 1.00 0.00 H new ATOM 0 HB2 LEU A 41 13.724 -35.641 -15.955 1.00 0.00 H new ATOM 0 HB3 LEU A 41 14.616 -34.798 -17.206 1.00 0.00 H new ATOM 0 HG LEU A 41 13.757 -33.577 -14.578 1.00 0.00 H new ATOM 0 HD11 LEU A 41 16.166 -33.733 -13.977 1.00 0.00 H new ATOM 0 HD12 LEU A 41 15.455 -35.340 -14.257 1.00 0.00 H new ATOM 0 HD13 LEU A 41 16.480 -34.591 -15.504 1.00 0.00 H new ATOM 0 HD21 LEU A 41 15.374 -31.788 -15.190 1.00 0.00 H new ATOM 0 HD22 LEU A 41 15.670 -32.604 -16.744 1.00 0.00 H new ATOM 0 HD23 LEU A 41 14.064 -31.926 -16.387 1.00 0.00 H new ATOM 523 N PHE A 42 11.581 -36.179 -17.954 1.00 0.00 N ATOM 524 CA PHE A 42 11.202 -37.130 -18.995 1.00 0.00 C ATOM 525 C PHE A 42 10.284 -36.469 -20.009 1.00 0.00 C ATOM 526 O PHE A 42 10.452 -36.639 -21.215 1.00 0.00 O ATOM 527 CB PHE A 42 10.469 -38.327 -18.386 1.00 0.00 C ATOM 528 CG PHE A 42 10.056 -39.362 -19.394 1.00 0.00 C ATOM 529 CD1 PHE A 42 10.979 -40.257 -19.905 1.00 0.00 C ATOM 530 CD2 PHE A 42 8.745 -39.439 -19.830 1.00 0.00 C ATOM 531 CE1 PHE A 42 10.600 -41.209 -20.832 1.00 0.00 C ATOM 532 CE2 PHE A 42 8.366 -40.391 -20.758 1.00 0.00 C ATOM 533 CZ PHE A 42 9.287 -41.274 -21.258 1.00 0.00 C ATOM 0 H PHE A 42 11.279 -36.445 -17.017 1.00 0.00 H new ATOM 0 HA PHE A 42 12.115 -37.467 -19.486 1.00 0.00 H new ATOM 0 HB2 PHE A 42 11.113 -38.795 -17.641 1.00 0.00 H new ATOM 0 HB3 PHE A 42 9.583 -37.970 -17.862 1.00 0.00 H new ATOM 0 HD1 PHE A 42 12.007 -40.211 -19.576 1.00 0.00 H new ATOM 0 HD2 PHE A 42 8.011 -38.749 -19.442 1.00 0.00 H new ATOM 0 HE1 PHE A 42 11.330 -41.902 -21.224 1.00 0.00 H new ATOM 0 HE2 PHE A 42 7.340 -40.439 -21.090 1.00 0.00 H new ATOM 0 HZ PHE A 42 8.988 -42.018 -21.982 1.00 0.00 H new ATOM 543 N LYS A 43 9.313 -35.716 -19.502 1.00 0.00 N ATOM 544 CA LYS A 43 8.349 -35.014 -20.344 1.00 0.00 C ATOM 545 C LYS A 43 9.017 -33.859 -21.072 1.00 0.00 C ATOM 546 O LYS A 43 8.791 -33.646 -22.260 1.00 0.00 O ATOM 547 CB LYS A 43 7.205 -34.453 -19.496 1.00 0.00 C ATOM 548 CG LYS A 43 6.277 -35.514 -18.927 1.00 0.00 C ATOM 549 CD LYS A 43 5.159 -34.887 -18.110 1.00 0.00 C ATOM 550 CE LYS A 43 4.230 -35.948 -17.541 1.00 0.00 C ATOM 551 NZ LYS A 43 3.137 -35.349 -16.726 1.00 0.00 N ATOM 0 H LYS A 43 9.172 -35.575 -18.502 1.00 0.00 H new ATOM 0 HA LYS A 43 7.958 -35.730 -21.067 1.00 0.00 H new ATOM 0 HB2 LYS A 43 7.626 -33.875 -18.673 1.00 0.00 H new ATOM 0 HB3 LYS A 43 6.621 -33.763 -20.104 1.00 0.00 H new ATOM 0 HG2 LYS A 43 5.851 -36.102 -19.740 1.00 0.00 H new ATOM 0 HG3 LYS A 43 6.847 -36.201 -18.301 1.00 0.00 H new ATOM 0 HD2 LYS A 43 5.585 -34.299 -17.297 1.00 0.00 H new ATOM 0 HD3 LYS A 43 4.590 -34.200 -18.736 1.00 0.00 H new ATOM 0 HE2 LYS A 43 3.799 -36.528 -18.357 1.00 0.00 H new ATOM 0 HE3 LYS A 43 4.804 -36.641 -16.926 1.00 0.00 H new ATOM 0 HZ1 LYS A 43 2.526 -36.105 -16.356 1.00 0.00 H new ATOM 0 HZ2 LYS A 43 3.547 -34.816 -15.933 1.00 0.00 H new ATOM 0 HZ3 LYS A 43 2.573 -34.707 -17.319 1.00 0.00 H new ATOM 565 N LYS A 44 9.845 -33.120 -20.338 1.00 0.00 N ATOM 566 CA LYS A 44 10.565 -31.976 -20.888 1.00 0.00 C ATOM 567 C LYS A 44 11.705 -32.442 -21.779 1.00 0.00 C ATOM 568 O LYS A 44 11.901 -31.925 -22.877 1.00 0.00 O ATOM 569 CB LYS A 44 11.150 -31.120 -19.763 1.00 0.00 C ATOM 570 CG LYS A 44 11.875 -29.873 -20.244 1.00 0.00 C ATOM 571 CD LYS A 44 12.380 -29.043 -19.076 1.00 0.00 C ATOM 572 CE LYS A 44 13.118 -27.804 -19.557 1.00 0.00 C ATOM 573 NZ LYS A 44 13.609 -26.974 -18.423 1.00 0.00 N ATOM 0 H LYS A 44 10.035 -33.296 -19.351 1.00 0.00 H new ATOM 0 HA LYS A 44 9.857 -31.387 -21.471 1.00 0.00 H new ATOM 0 HB2 LYS A 44 10.345 -30.823 -19.091 1.00 0.00 H new ATOM 0 HB3 LYS A 44 11.843 -31.728 -19.181 1.00 0.00 H new ATOM 0 HG2 LYS A 44 12.714 -30.159 -20.879 1.00 0.00 H new ATOM 0 HG3 LYS A 44 11.202 -29.272 -20.856 1.00 0.00 H new ATOM 0 HD2 LYS A 44 11.540 -28.747 -18.447 1.00 0.00 H new ATOM 0 HD3 LYS A 44 13.044 -29.647 -18.458 1.00 0.00 H new ATOM 0 HE2 LYS A 44 13.961 -28.103 -20.180 1.00 0.00 H new ATOM 0 HE3 LYS A 44 12.455 -27.207 -20.183 1.00 0.00 H new ATOM 0 HZ1 LYS A 44 14.106 -26.139 -18.794 1.00 0.00 H new ATOM 0 HZ2 LYS A 44 12.802 -26.667 -17.843 1.00 0.00 H new ATOM 0 HZ3 LYS A 44 14.262 -27.535 -17.839 1.00 0.00 H new ATOM 587 N PHE A 45 12.451 -33.426 -21.287 1.00 0.00 N ATOM 588 CA PHE A 45 13.584 -33.986 -22.019 1.00 0.00 C ATOM 589 C PHE A 45 13.098 -34.880 -23.149 1.00 0.00 C ATOM 590 O PHE A 45 13.624 -34.836 -24.259 1.00 0.00 O ATOM 591 CB PHE A 45 14.465 -34.820 -21.087 1.00 0.00 C ATOM 592 CG PHE A 45 15.678 -35.400 -21.757 1.00 0.00 C ATOM 593 CD1 PHE A 45 16.788 -34.614 -22.011 1.00 0.00 C ATOM 594 CD2 PHE A 45 15.709 -36.732 -22.132 1.00 0.00 C ATOM 595 CE1 PHE A 45 17.904 -35.147 -22.627 1.00 0.00 C ATOM 596 CE2 PHE A 45 16.825 -37.265 -22.748 1.00 0.00 C ATOM 597 CZ PHE A 45 17.919 -36.479 -22.996 1.00 0.00 C ATOM 0 H PHE A 45 12.290 -33.856 -20.376 1.00 0.00 H new ATOM 0 HA PHE A 45 14.160 -33.155 -22.426 1.00 0.00 H new ATOM 0 HB2 PHE A 45 14.786 -34.197 -20.252 1.00 0.00 H new ATOM 0 HB3 PHE A 45 13.869 -35.632 -20.669 1.00 0.00 H new ATOM 0 HD1 PHE A 45 16.782 -33.573 -21.725 1.00 0.00 H new ATOM 0 HD2 PHE A 45 14.852 -37.361 -21.941 1.00 0.00 H new ATOM 0 HE1 PHE A 45 18.764 -34.523 -22.820 1.00 0.00 H new ATOM 0 HE2 PHE A 45 16.835 -38.306 -23.035 1.00 0.00 H new ATOM 0 HZ PHE A 45 18.790 -36.898 -23.478 1.00 0.00 H new ATOM 607 N THR A 46 12.087 -35.690 -22.848 1.00 0.00 N ATOM 608 CA THR A 46 11.506 -36.609 -23.822 1.00 0.00 C ATOM 609 C THR A 46 10.641 -35.853 -24.816 1.00 0.00 C ATOM 610 O THR A 46 10.702 -36.097 -26.019 1.00 0.00 O ATOM 611 CB THR A 46 10.625 -37.672 -23.140 1.00 0.00 C ATOM 612 OG1 THR A 46 11.423 -38.454 -22.243 1.00 0.00 O ATOM 613 CG2 THR A 46 10.002 -38.593 -24.177 1.00 0.00 C ATOM 0 H THR A 46 11.649 -35.728 -21.927 1.00 0.00 H new ATOM 0 HA THR A 46 12.337 -37.097 -24.331 1.00 0.00 H new ATOM 0 HB THR A 46 9.833 -37.164 -22.590 1.00 0.00 H new ATOM 0 HG1 THR A 46 11.039 -38.412 -21.342 1.00 0.00 H new ATOM 0 HG21 THR A 46 9.383 -39.338 -23.677 1.00 0.00 H new ATOM 0 HG22 THR A 46 9.386 -38.008 -24.860 1.00 0.00 H new ATOM 0 HG23 THR A 46 10.790 -39.094 -24.739 1.00 0.00 H new ATOM 621 N SER A 47 9.836 -34.932 -24.295 1.00 0.00 N ATOM 622 CA SER A 47 8.942 -34.121 -25.116 1.00 0.00 C ATOM 623 C SER A 47 9.727 -33.054 -25.862 1.00 0.00 C ATOM 624 O SER A 47 9.489 -32.805 -27.041 1.00 0.00 O ATOM 625 CB SER A 47 7.893 -33.429 -24.243 1.00 0.00 C ATOM 626 OG SER A 47 7.025 -32.628 -25.026 1.00 0.00 O ATOM 0 H SER A 47 9.785 -34.727 -23.297 1.00 0.00 H new ATOM 0 HA SER A 47 8.451 -34.784 -25.828 1.00 0.00 H new ATOM 0 HB2 SER A 47 7.313 -34.178 -23.703 1.00 0.00 H new ATOM 0 HB3 SER A 47 8.389 -32.810 -23.495 1.00 0.00 H new ATOM 0 HG SER A 47 6.363 -32.198 -24.445 1.00 0.00 H new ATOM 632 N LYS A 48 10.664 -32.431 -25.154 1.00 0.00 N ATOM 633 CA LYS A 48 11.505 -31.381 -25.724 1.00 0.00 C ATOM 634 C LYS A 48 12.555 -31.982 -26.644 1.00 0.00 C ATOM 635 O LYS A 48 12.843 -31.441 -27.710 1.00 0.00 O ATOM 636 CB LYS A 48 12.220 -30.606 -24.615 1.00 0.00 C ATOM 637 CG LYS A 48 13.073 -29.452 -25.116 1.00 0.00 C ATOM 638 CD LYS A 48 13.707 -28.693 -23.961 1.00 0.00 C ATOM 639 CE LYS A 48 14.572 -27.548 -24.462 1.00 0.00 C ATOM 640 NZ LYS A 48 15.190 -26.787 -23.341 1.00 0.00 N ATOM 0 H LYS A 48 10.862 -32.637 -24.175 1.00 0.00 H new ATOM 0 HA LYS A 48 10.860 -30.708 -26.288 1.00 0.00 H new ATOM 0 HB2 LYS A 48 11.476 -30.218 -23.919 1.00 0.00 H new ATOM 0 HB3 LYS A 48 12.852 -31.295 -24.055 1.00 0.00 H new ATOM 0 HG2 LYS A 48 13.853 -29.833 -25.776 1.00 0.00 H new ATOM 0 HG3 LYS A 48 12.459 -28.773 -25.707 1.00 0.00 H new ATOM 0 HD2 LYS A 48 12.927 -28.303 -23.307 1.00 0.00 H new ATOM 0 HD3 LYS A 48 14.312 -29.375 -23.364 1.00 0.00 H new ATOM 0 HE2 LYS A 48 15.356 -27.941 -25.109 1.00 0.00 H new ATOM 0 HE3 LYS A 48 13.967 -26.874 -25.068 1.00 0.00 H new ATOM 0 HZ1 LYS A 48 15.772 -26.015 -23.725 1.00 0.00 H new ATOM 0 HZ2 LYS A 48 14.442 -26.390 -22.737 1.00 0.00 H new ATOM 0 HZ3 LYS A 48 15.788 -27.424 -22.777 1.00 0.00 H new ATOM 654 N ALA A 49 13.120 -33.107 -26.215 1.00 0.00 N ATOM 655 CA ALA A 49 14.146 -33.807 -26.983 1.00 0.00 C ATOM 0 H ALA A 49 12.882 -33.557 -25.331 1.00 0.00 H new