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=-0.86) USER MOD Single : A 17 SER OG : rot 76:sc= 1.05 USER MOD Single : A 19 THR OG1 : rot 89:sc= -0.82! USER MOD Single : A 21 MET CE :methyl 167:sc= -0.0105 (180deg=-0.25) USER MOD Single : A 24 TYR OH : rot 180:sc= 0 USER MOD Single : A 28 MET CE :methyl 166:sc=-0.00554 (180deg=-0.23) USER MOD Single : A 36 THR OG1 : rot -150:sc= -1.46! 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= 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 -17.269 -45.556 62.519 1.00 0.00 C ATOM 2 C PRO A 6 -16.194 -45.784 61.468 1.00 0.00 C ATOM 3 O PRO A 6 -16.088 -45.032 60.501 1.00 0.00 O ATOM 5 N ALA A 7 -15.400 -46.831 61.675 1.00 0.00 N ATOM 6 CA ALA A 7 -14.321 -47.186 60.759 1.00 0.00 C ATOM 7 C ALA A 7 -14.884 -47.728 59.456 1.00 0.00 C ATOM 8 O ALA A 7 -14.355 -47.460 58.380 1.00 0.00 O ATOM 9 CB ALA A 7 -13.429 -48.251 61.378 1.00 0.00 C ATOM 0 H ALA A 7 -15.486 -47.454 62.478 1.00 0.00 H new ATOM 0 HA ALA A 7 -13.741 -46.284 60.563 1.00 0.00 H new ATOM 0 HB1 ALA A 7 -12.629 -48.505 60.682 1.00 0.00 H new ATOM 0 HB2 ALA A 7 -12.998 -47.871 62.304 1.00 0.00 H new ATOM 0 HB3 ALA A 7 -14.020 -49.141 61.592 1.00 0.00 H new ATOM 15 N LYS A 8 -15.967 -48.494 59.573 1.00 0.00 N ATOM 16 CA LYS A 8 -16.628 -49.091 58.416 1.00 0.00 C ATOM 17 C LYS A 8 -16.918 -48.033 57.364 1.00 0.00 C ATOM 18 O LYS A 8 -16.685 -48.245 56.176 1.00 0.00 O ATOM 19 CB LYS A 8 -17.952 -49.737 58.830 1.00 0.00 C ATOM 20 CG LYS A 8 -18.679 -50.442 57.696 1.00 0.00 C ATOM 21 CD LYS A 8 -19.954 -51.107 58.188 1.00 0.00 C ATOM 22 CE LYS A 8 -20.689 -51.800 57.051 1.00 0.00 C ATOM 23 NZ LYS A 8 -21.935 -52.467 57.521 1.00 0.00 N ATOM 0 H LYS A 8 -16.408 -48.717 60.466 1.00 0.00 H new ATOM 0 HA LYS A 8 -15.960 -49.848 58.005 1.00 0.00 H new ATOM 0 HB2 LYS A 8 -17.760 -50.456 59.627 1.00 0.00 H new ATOM 0 HB3 LYS A 8 -18.605 -48.969 59.244 1.00 0.00 H new ATOM 0 HG2 LYS A 8 -18.920 -49.723 56.913 1.00 0.00 H new ATOM 0 HG3 LYS A 8 -18.024 -51.191 57.251 1.00 0.00 H new ATOM 0 HD2 LYS A 8 -19.712 -51.833 58.964 1.00 0.00 H new ATOM 0 HD3 LYS A 8 -20.604 -50.360 58.643 1.00 0.00 H new ATOM 0 HE2 LYS A 8 -20.936 -51.070 56.280 1.00 0.00 H new ATOM 0 HE3 LYS A 8 -20.033 -52.539 56.591 1.00 0.00 H new ATOM 0 HZ1 LYS A 8 -22.407 -52.928 56.717 1.00 0.00 H new ATOM 0 HZ2 LYS A 8 -21.697 -53.181 58.238 1.00 0.00 H new ATOM 0 HZ3 LYS A 8 -22.573 -51.758 57.937 1.00 0.00 H new ATOM 37 N ALA A 9 -17.431 -46.894 57.820 1.00 0.00 N ATOM 38 CA ALA A 9 -17.764 -45.781 56.937 1.00 0.00 C ATOM 39 C ALA A 9 -16.500 -45.102 56.436 1.00 0.00 C ATOM 40 O ALA A 9 -16.450 -44.617 55.307 1.00 0.00 O ATOM 41 CB ALA A 9 -18.604 -44.751 57.676 1.00 0.00 C ATOM 0 H ALA A 9 -17.627 -46.717 58.805 1.00 0.00 H new ATOM 0 HA ALA A 9 -18.326 -46.181 56.093 1.00 0.00 H new ATOM 0 HB1 ALA A 9 -18.844 -43.927 57.004 1.00 0.00 H new ATOM 0 HB2 ALA A 9 -19.526 -45.216 58.024 1.00 0.00 H new ATOM 0 HB3 ALA A 9 -18.044 -44.371 58.531 1.00 0.00 H new ATOM 47 N ALA A 10 -15.484 -45.073 57.292 1.00 0.00 N ATOM 48 CA ALA A 10 -14.203 -44.458 56.962 1.00 0.00 C ATOM 49 C ALA A 10 -13.490 -45.258 55.884 1.00 0.00 C ATOM 50 O ALA A 10 -12.988 -44.698 54.911 1.00 0.00 O ATOM 51 CB ALA A 10 -13.309 -44.403 58.191 1.00 0.00 C ATOM 0 H ALA A 10 -15.524 -45.473 58.229 1.00 0.00 H new ATOM 0 HA ALA A 10 -14.401 -43.448 56.602 1.00 0.00 H new ATOM 0 HB1 ALA A 10 -12.357 -43.942 57.928 1.00 0.00 H new ATOM 0 HB2 ALA A 10 -13.795 -43.814 58.969 1.00 0.00 H new ATOM 0 HB3 ALA A 10 -13.133 -45.414 58.558 1.00 0.00 H new ATOM 57 N PHE A 11 -13.454 -46.574 56.073 1.00 0.00 N ATOM 58 CA PHE A 11 -12.806 -47.481 55.129 1.00 0.00 C ATOM 59 C PHE A 11 -13.649 -47.629 53.873 1.00 0.00 C ATOM 60 O PHE A 11 -13.128 -47.623 52.759 1.00 0.00 O ATOM 61 CB PHE A 11 -12.622 -48.865 55.756 1.00 0.00 C ATOM 62 CG PHE A 11 -11.924 -49.848 54.860 1.00 0.00 C ATOM 63 CD1 PHE A 11 -10.551 -49.801 54.694 1.00 0.00 C ATOM 64 CD2 PHE A 11 -12.640 -50.819 54.183 1.00 0.00 C ATOM 65 CE1 PHE A 11 -9.908 -50.706 53.870 1.00 0.00 C ATOM 66 CE2 PHE A 11 -11.998 -51.724 53.359 1.00 0.00 C ATOM 67 CZ PHE A 11 -10.638 -51.670 53.201 1.00 0.00 C ATOM 0 H PHE A 11 -13.870 -47.040 56.879 1.00 0.00 H new ATOM 0 HA PHE A 11 -11.834 -47.059 54.875 1.00 0.00 H new ATOM 0 HB2 PHE A 11 -12.053 -48.762 56.680 1.00 0.00 H new ATOM 0 HB3 PHE A 11 -13.600 -49.264 56.026 1.00 0.00 H new ATOM 0 HD1 PHE A 11 -9.976 -49.049 55.214 1.00 0.00 H new ATOM 0 HD2 PHE A 11 -13.712 -50.870 54.300 1.00 0.00 H new ATOM 0 HE1 PHE A 11 -8.836 -50.660 53.749 1.00 0.00 H new ATOM 0 HE2 PHE A 11 -12.571 -52.477 52.838 1.00 0.00 H new ATOM 0 HZ PHE A 11 -10.139 -52.378 52.556 1.00 0.00 H new ATOM 77 N ASP A 12 -14.957 -47.764 54.071 1.00 0.00 N ATOM 78 CA ASP A 12 -15.902 -47.917 52.968 1.00 0.00 C ATOM 79 C ASP A 12 -16.073 -46.600 52.226 1.00 0.00 C ATOM 80 O ASP A 12 -16.188 -46.577 51.003 1.00 0.00 O ATOM 81 CB ASP A 12 -17.270 -48.358 53.492 1.00 0.00 C ATOM 82 CG ASP A 12 -18.226 -48.736 52.378 1.00 0.00 C ATOM 83 OD1 ASP A 12 -17.875 -49.621 51.569 1.00 0.00 O ATOM 84 OD2 ASP A 12 -19.326 -48.149 52.314 1.00 0.00 O ATOM 0 H ASP A 12 -15.390 -47.771 54.994 1.00 0.00 H new ATOM 0 HA ASP A 12 -15.503 -48.673 52.292 1.00 0.00 H new ATOM 0 HB2 ASP A 12 -17.142 -49.209 54.160 1.00 0.00 H new ATOM 0 HB3 ASP A 12 -17.706 -47.552 54.082 1.00 0.00 H new ATOM 90 N SER A 13 -16.085 -45.510 52.986 1.00 0.00 N ATOM 91 CA SER A 13 -16.241 -44.171 52.427 1.00 0.00 C ATOM 92 C SER A 13 -15.050 -43.819 51.549 1.00 0.00 C ATOM 93 O SER A 13 -15.211 -43.297 50.447 1.00 0.00 O ATOM 94 CB SER A 13 -16.342 -43.132 53.545 1.00 0.00 C ATOM 95 OG SER A 13 -16.482 -41.825 53.016 1.00 0.00 O ATOM 0 H SER A 13 -15.987 -45.529 54.001 1.00 0.00 H new ATOM 0 HA SER A 13 -17.154 -44.163 51.832 1.00 0.00 H new ATOM 0 HB2 SER A 13 -17.195 -43.362 54.184 1.00 0.00 H new ATOM 0 HB3 SER A 13 -15.452 -43.180 54.172 1.00 0.00 H new ATOM 0 HG SER A 13 -16.546 -41.180 53.751 1.00 0.00 H new ATOM 101 N LEU A 14 -13.855 -44.115 52.054 1.00 0.00 N ATOM 102 CA LEU A 14 -12.616 -43.841 51.335 1.00 0.00 C ATOM 103 C LEU A 14 -12.537 -44.680 50.070 1.00 0.00 C ATOM 104 O LEU A 14 -12.232 -44.172 48.994 1.00 0.00 O ATOM 105 CB LEU A 14 -11.405 -44.171 52.210 1.00 0.00 C ATOM 106 CG LEU A 14 -10.030 -43.906 51.592 1.00 0.00 C ATOM 107 CD1 LEU A 14 -9.845 -42.424 51.305 1.00 0.00 C ATOM 108 CD2 LEU A 14 -8.923 -44.350 52.535 1.00 0.00 C ATOM 0 H LEU A 14 -13.720 -44.549 52.967 1.00 0.00 H new ATOM 0 HA LEU A 14 -12.609 -42.782 51.077 1.00 0.00 H new ATOM 0 HB2 LEU A 14 -11.482 -43.595 53.132 1.00 0.00 H new ATOM 0 HB3 LEU A 14 -11.459 -45.224 52.486 1.00 0.00 H new ATOM 0 HG LEU A 14 -9.976 -44.473 50.663 1.00 0.00 H new ATOM 0 HD11 LEU A 14 -8.861 -42.258 50.866 1.00 0.00 H new ATOM 0 HD12 LEU A 14 -10.614 -42.090 50.609 1.00 0.00 H new ATOM 0 HD13 LEU A 14 -9.927 -41.860 52.234 1.00 0.00 H new ATOM 0 HD21 LEU A 14 -7.954 -44.153 52.077 1.00 0.00 H new ATOM 0 HD22 LEU A 14 -9.000 -43.798 53.472 1.00 0.00 H new ATOM 0 HD23 LEU A 14 -9.020 -45.417 52.733 1.00 0.00 H new ATOM 120 N GLN A 15 -12.817 -45.972 50.219 1.00 0.00 N ATOM 121 CA GLN A 15 -12.786 -46.911 49.101 1.00 0.00 C ATOM 122 C GLN A 15 -13.677 -46.424 47.971 1.00 0.00 C ATOM 123 O GLN A 15 -13.320 -46.517 46.799 1.00 0.00 O ATOM 124 CB GLN A 15 -13.279 -48.289 49.545 1.00 0.00 C ATOM 125 CG GLN A 15 -13.202 -49.355 48.464 1.00 0.00 C ATOM 126 CD GLN A 15 -13.637 -50.720 48.958 1.00 0.00 C ATOM 127 OE1 GLN A 15 -14.016 -50.879 50.119 1.00 0.00 O ATOM 128 NE2 GLN A 15 -13.583 -51.712 48.077 1.00 0.00 N ATOM 0 H GLN A 15 -13.070 -46.396 51.112 1.00 0.00 H new ATOM 0 HA GLN A 15 -11.755 -46.980 48.755 1.00 0.00 H new ATOM 0 HB2 GLN A 15 -12.691 -48.614 50.403 1.00 0.00 H new ATOM 0 HB3 GLN A 15 -14.312 -48.202 49.881 1.00 0.00 H new ATOM 0 HG2 GLN A 15 -13.830 -49.060 47.623 1.00 0.00 H new ATOM 0 HG3 GLN A 15 -12.179 -49.416 48.092 1.00 0.00 H new ATOM 0 HE21 GLN A 15 -13.262 -51.532 47.126 1.00 0.00 H new ATOM 0 HE22 GLN A 15 -13.862 -52.654 48.352 1.00 0.00 H new ATOM 137 N ALA A 16 -14.844 -45.904 48.345 1.00 0.00 N ATOM 138 CA ALA A 16 -15.815 -45.392 47.380 1.00 0.00 C ATOM 139 C ALA A 16 -15.331 -44.078 46.787 1.00 0.00 C ATOM 140 O ALA A 16 -15.342 -43.892 45.572 1.00 0.00 O ATOM 141 CB ALA A 16 -17.157 -45.152 48.054 1.00 0.00 C ATOM 0 H ALA A 16 -15.142 -45.826 49.317 1.00 0.00 H new ATOM 0 HA ALA A 16 -15.926 -46.135 46.590 1.00 0.00 H new ATOM 0 HB1 ALA A 16 -17.869 -44.771 47.322 1.00 0.00 H new ATOM 0 HB2 ALA A 16 -17.529 -46.089 48.468 1.00 0.00 H new ATOM 0 HB3 ALA A 16 -17.036 -44.424 48.856 1.00 0.00 H new ATOM 147 N SER A 17 -14.909 -43.173 47.664 1.00 0.00 N ATOM 148 CA SER A 17 -14.414 -41.860 47.255 1.00 0.00 C ATOM 149 C SER A 17 -13.259 -42.008 46.278 1.00 0.00 C ATOM 150 O SER A 17 -13.286 -41.454 45.182 1.00 0.00 O ATOM 151 CB SER A 17 -13.922 -41.071 48.470 1.00 0.00 C ATOM 152 OG SER A 17 -14.993 -40.761 49.344 1.00 0.00 O ATOM 0 H SER A 17 -14.900 -43.326 48.672 1.00 0.00 H new ATOM 0 HA SER A 17 -15.237 -41.328 46.777 1.00 0.00 H new ATOM 0 HB2 SER A 17 -13.169 -41.651 49.004 1.00 0.00 H new ATOM 0 HB3 SER A 17 -13.440 -40.151 48.139 1.00 0.00 H new ATOM 0 HG SER A 17 -15.241 -41.560 49.854 1.00 0.00 H new ATOM 158 N ALA A 18 -12.248 -42.768 46.691 1.00 0.00 N ATOM 159 CA ALA A 18 -11.067 -43.010 45.870 1.00 0.00 C ATOM 160 C ALA A 18 -11.415 -43.894 44.684 1.00 0.00 C ATOM 161 O ALA A 18 -10.804 -43.793 43.622 1.00 0.00 O ATOM 162 CB ALA A 18 -9.987 -43.702 46.686 1.00 0.00 C ATOM 0 H ALA A 18 -12.225 -43.231 47.600 1.00 0.00 H new ATOM 0 HA ALA A 18 -10.703 -42.045 45.516 1.00 0.00 H new ATOM 0 HB1 ALA A 18 -9.112 -43.876 46.059 1.00 0.00 H new ATOM 0 HB2 ALA A 18 -9.709 -43.071 47.530 1.00 0.00 H new ATOM 0 HB3 ALA A 18 -10.364 -44.656 47.054 1.00 0.00 H new ATOM 168 N THR A 19 -12.403 -44.761 44.883 1.00 0.00 N ATOM 169 CA THR A 19 -12.857 -45.681 43.844 1.00 0.00 C ATOM 170 C THR A 19 -13.665 -44.938 42.792 1.00 0.00 C ATOM 171 O THR A 19 -13.390 -45.036 41.598 1.00 0.00 O ATOM 172 CB THR A 19 -13.747 -46.795 44.426 1.00 0.00 C ATOM 173 OG1 THR A 19 -12.996 -47.565 45.372 1.00 0.00 O ATOM 174 CG2 THR A 19 -14.239 -47.716 43.320 1.00 0.00 C ATOM 0 H THR A 19 -12.910 -44.846 45.764 1.00 0.00 H new ATOM 0 HA THR A 19 -11.965 -46.123 43.400 1.00 0.00 H new ATOM 0 HB THR A 19 -14.604 -46.333 44.915 1.00 0.00 H new ATOM 0 HG1 THR A 19 -13.073 -47.158 46.260 1.00 0.00 H new ATOM 0 HG21 THR A 19 -14.866 -48.497 43.749 1.00 0.00 H new ATOM 0 HG22 THR A 19 -14.819 -47.141 42.598 1.00 0.00 H new ATOM 0 HG23 THR A 19 -13.385 -48.171 42.819 1.00 0.00 H new ATOM 182 N GLU A 20 -14.666 -44.194 43.256 1.00 0.00 N ATOM 183 CA GLU A 20 -15.536 -43.419 42.375 1.00 0.00 C ATOM 184 C GLU A 20 -14.736 -42.367 41.627 1.00 0.00 C ATOM 185 O GLU A 20 -14.933 -42.153 40.434 1.00 0.00 O ATOM 186 CB GLU A 20 -16.626 -42.712 43.184 1.00 0.00 C ATOM 187 CG GLU A 20 -17.660 -43.651 43.785 1.00 0.00 C ATOM 188 CD GLU A 20 -18.691 -42.921 44.622 1.00 0.00 C ATOM 189 OE1 GLU A 20 -18.568 -41.688 44.775 1.00 0.00 O ATOM 190 OE2 GLU A 20 -19.623 -43.583 45.126 1.00 0.00 O ATOM 0 H GLU A 20 -14.896 -44.111 44.246 1.00 0.00 H new ATOM 0 HA GLU A 20 -15.991 -44.111 41.666 1.00 0.00 H new ATOM 0 HB2 GLU A 20 -16.157 -42.144 43.987 1.00 0.00 H new ATOM 0 HB3 GLU A 20 -17.134 -41.994 42.540 1.00 0.00 H new ATOM 0 HG2 GLU A 20 -18.164 -44.192 42.984 1.00 0.00 H new ATOM 0 HG3 GLU A 20 -17.156 -44.394 44.403 1.00 0.00 H new ATOM 198 N MET A 21 -13.827 -41.715 42.349 1.00 0.00 N ATOM 199 CA MET A 21 -12.979 -40.675 41.777 1.00 0.00 C ATOM 200 C MET A 21 -12.055 -41.259 40.721 1.00 0.00 C ATOM 201 O MET A 21 -11.791 -40.634 39.697 1.00 0.00 O ATOM 202 CB MET A 21 -12.120 -40.026 42.864 1.00 0.00 C ATOM 203 CG MET A 21 -11.263 -38.871 42.371 1.00 0.00 C ATOM 204 SD MET A 21 -10.291 -38.115 43.688 1.00 0.00 S ATOM 205 CE MET A 21 -9.091 -39.406 44.007 1.00 0.00 C ATOM 0 H MET A 21 -13.659 -41.892 43.339 1.00 0.00 H new ATOM 0 HA MET A 21 -13.632 -39.928 41.325 1.00 0.00 H new ATOM 0 HB2 MET A 21 -12.771 -39.667 43.661 1.00 0.00 H new ATOM 0 HB3 MET A 21 -11.471 -40.785 43.301 1.00 0.00 H new ATOM 0 HG2 MET A 21 -10.593 -39.229 41.590 1.00 0.00 H new ATOM 0 HG3 MET A 21 -11.905 -38.115 41.919 1.00 0.00 H new ATOM 0 HE1 MET A 21 -8.285 -39.009 44.625 1.00 0.00 H new ATOM 0 HE2 MET A 21 -9.575 -40.232 44.528 1.00 0.00 H new ATOM 0 HE3 MET A 21 -8.682 -39.764 43.062 1.00 0.00 H new ATOM 215 N ILE A 22 -11.571 -42.470 40.988 1.00 0.00 N ATOM 216 CA ILE A 22 -10.672 -43.168 40.075 1.00 0.00 C ATOM 217 C ILE A 22 -11.321 -43.333 38.711 1.00 0.00 C ATOM 218 O ILE A 22 -10.644 -43.324 37.685 1.00 0.00 O ATOM 219 CB ILE A 22 -10.311 -44.570 40.600 1.00 0.00 C ATOM 220 CG1 ILE A 22 -9.111 -45.133 39.837 1.00 0.00 C ATOM 221 CG2 ILE A 22 -11.484 -45.523 40.424 1.00 0.00 C ATOM 222 CD1 ILE A 22 -8.501 -46.361 40.477 1.00 0.00 C ATOM 0 H ILE A 22 -11.790 -42.991 41.837 1.00 0.00 H new ATOM 0 HA ILE A 22 -9.768 -42.564 39.998 1.00 0.00 H new ATOM 0 HB ILE A 22 -10.067 -44.477 41.658 1.00 0.00 H new ATOM 0 HG12 ILE A 22 -9.421 -45.380 38.822 1.00 0.00 H new ATOM 0 HG13 ILE A 22 -8.348 -44.359 39.757 1.00 0.00 H new ATOM 0 HG21 ILE A 22 -11.211 -46.509 40.800 1.00 0.00 H new ATOM 0 HG22 ILE A 22 -12.344 -45.148 40.979 1.00 0.00 H new ATOM 0 HG23 ILE A 22 -11.738 -45.596 39.367 1.00 0.00 H new ATOM 0 HD11 ILE A 22 -7.656 -46.701 39.879 1.00 0.00 H new ATOM 0 HD12 ILE A 22 -8.158 -46.115 41.482 1.00 0.00 H new ATOM 0 HD13 ILE A 22 -9.249 -47.152 40.532 1.00 0.00 H new ATOM 234 N GLY A 23 -12.643 -43.482 38.717 1.00 0.00 N ATOM 235 CA GLY A 23 -13.415 -43.653 37.490 1.00 0.00 C ATOM 236 C GLY A 23 -13.470 -42.347 36.711 1.00 0.00 C ATOM 237 O GLY A 23 -13.505 -42.347 35.483 1.00 0.00 O ATOM 0 H GLY A 23 -13.206 -43.488 39.567 1.00 0.00 H new ATOM 0 HA2 GLY A 23 -12.964 -44.432 36.875 1.00 0.00 H new ATOM 0 HA3 GLY A 23 -14.426 -43.982 37.732 1.00 0.00 H new ATOM 241 N TYR A 24 -13.478 -41.239 37.446 1.00 0.00 N ATOM 242 CA TYR A 24 -13.528 -39.907 36.850 1.00 0.00 C ATOM 243 C TYR A 24 -12.265 -39.632 36.054 1.00 0.00 C ATOM 244 O TYR A 24 -12.322 -39.151 34.924 1.00 0.00 O ATOM 245 CB TYR A 24 -13.656 -38.838 37.937 1.00 0.00 C ATOM 246 CG TYR A 24 -15.032 -38.758 38.558 1.00 0.00 C ATOM 247 CD1 TYR A 24 -16.054 -38.052 37.936 1.00 0.00 C ATOM 248 CD2 TYR A 24 -15.305 -39.389 39.766 1.00 0.00 C ATOM 249 CE1 TYR A 24 -17.315 -37.974 38.496 1.00 0.00 C ATOM 250 CE2 TYR A 24 -16.560 -39.321 40.341 1.00 0.00 C ATOM 251 CZ TYR A 24 -17.562 -38.617 39.709 1.00 0.00 C ATOM 252 OH TYR A 24 -18.812 -38.548 40.280 1.00 0.00 O ATOM 0 H TYR A 24 -13.450 -41.238 38.466 1.00 0.00 H new ATOM 0 HA TYR A 24 -14.396 -39.871 36.191 1.00 0.00 H new ATOM 0 HB2 TYR A 24 -12.926 -39.041 38.720 1.00 0.00 H new ATOM 0 HB3 TYR A 24 -13.404 -37.867 37.510 1.00 0.00 H new ATOM 0 HD1 TYR A 24 -15.859 -37.555 36.997 1.00 0.00 H new ATOM 0 HD2 TYR A 24 -14.523 -39.942 40.264 1.00 0.00 H new ATOM 0 HE1 TYR A 24 -18.100 -37.422 38.000 1.00 0.00 H new ATOM 0 HE2 TYR A 24 -16.754 -39.817 41.281 1.00 0.00 H new ATOM 0 HH TYR A 24 -18.815 -39.050 41.121 1.00 0.00 H new ATOM 262 N ALA A 25 -11.122 -39.945 36.660 1.00 0.00 N ATOM 263 CA ALA A 25 -9.821 -39.741 36.029 1.00 0.00 C ATOM 264 C ALA A 25 -9.726 -40.535 34.737 1.00 0.00 C ATOM 265 O ALA A 25 -9.336 -40.007 33.699 1.00 0.00 O ATOM 266 CB ALA A 25 -8.705 -40.195 36.957 1.00 0.00 C ATOM 0 H ALA A 25 -11.072 -40.345 37.597 1.00 0.00 H new ATOM 0 HA ALA A 25 -9.716 -38.677 35.816 1.00 0.00 H new ATOM 0 HB1 ALA A 25 -7.742 -40.036 36.472 1.00 0.00 H new ATOM 0 HB2 ALA A 25 -8.745 -39.620 37.882 1.00 0.00 H new ATOM 0 HB3 ALA A 25 -8.828 -41.254 37.183 1.00 0.00 H new ATOM 272 N TRP A 26 -10.089 -41.813 34.820 1.00 0.00 N ATOM 273 CA TRP A 26 -10.055 -42.709 33.668 1.00 0.00 C ATOM 274 C TRP A 26 -11.007 -42.223 32.587 1.00 0.00 C ATOM 275 O TRP A 26 -10.672 -42.225 31.404 1.00 0.00 O ATOM 276 CB TRP A 26 -10.470 -44.124 34.077 1.00 0.00 C ATOM 277 CG TRP A 26 -10.450 -45.105 32.946 1.00 0.00 C ATOM 278 CD1 TRP A 26 -11.529 -45.608 32.278 1.00 0.00 C ATOM 279 CD2 TRP A 26 -9.293 -45.704 32.349 1.00 0.00 C ATOM 280 NE1 TRP A 26 -11.117 -46.483 31.301 1.00 0.00 N ATOM 281 CE2 TRP A 26 -9.747 -46.559 31.325 1.00 0.00 C ATOM 282 CE3 TRP A 26 -7.918 -45.601 32.580 1.00 0.00 C ATOM 283 CZ2 TRP A 26 -8.876 -47.306 30.534 1.00 0.00 C ATOM 284 CZ3 TRP A 26 -7.058 -46.344 31.793 1.00 0.00 C ATOM 285 CH2 TRP A 26 -7.536 -47.185 30.783 1.00 0.00 C ATOM 0 H TRP A 26 -10.413 -42.254 35.681 1.00 0.00 H new ATOM 0 HA TRP A 26 -9.034 -42.719 33.285 1.00 0.00 H new ATOM 0 HB2 TRP A 26 -9.803 -44.476 34.864 1.00 0.00 H new ATOM 0 HB3 TRP A 26 -11.474 -44.091 34.501 1.00 0.00 H new ATOM 0 HD1 TRP A 26 -12.558 -45.355 32.487 1.00 0.00 H new ATOM 0 HE1 TRP A 26 -11.729 -46.992 30.663 1.00 0.00 H new ATOM 0 HE3 TRP A 26 -7.536 -44.955 33.357 1.00 0.00 H new ATOM 0 HZ2 TRP A 26 -9.245 -47.956 29.754 1.00 0.00 H new ATOM 0 HZ3 TRP A 26 -5.994 -46.273 31.962 1.00 0.00 H new ATOM 0 HH2 TRP A 26 -6.834 -47.750 30.188 1.00 0.00 H new ATOM 296 N ALA A 27 -12.197 -41.806 33.012 1.00 0.00 N ATOM 297 CA ALA A 27 -13.221 -41.310 32.099 1.00 0.00 C ATOM 298 C ALA A 27 -12.777 -40.001 31.463 1.00 0.00 C ATOM 299 O ALA A 27 -12.898 -39.815 30.255 1.00 0.00 O ATOM 300 CB ALA A 27 -14.524 -41.067 32.845 1.00 0.00 C ATOM 0 H ALA A 27 -12.477 -41.802 33.993 1.00 0.00 H new ATOM 0 HA ALA A 27 -13.373 -42.063 31.326 1.00 0.00 H new ATOM 0 HB1 ALA A 27 -15.278 -40.697 32.150 1.00 0.00 H new ATOM 0 HB2 ALA A 27 -14.868 -42.001 33.290 1.00 0.00 H new ATOM 0 HB3 ALA A 27 -14.361 -40.329 33.630 1.00 0.00 H new ATOM 306 N MET A 28 -12.266 -39.100 32.297 1.00 0.00 N ATOM 307 CA MET A 28 -11.793 -37.796 31.843 1.00 0.00 C ATOM 308 C MET A 28 -10.536 -37.947 31.003 1.00 0.00 C ATOM 309 O MET A 28 -10.440 -37.402 29.906 1.00 0.00 O ATOM 310 CB MET A 28 -11.470 -36.897 33.038 1.00 0.00 C ATOM 311 CG MET A 28 -11.025 -35.494 32.658 1.00 0.00 C ATOM 312 SD MET A 28 -10.685 -34.459 34.094 1.00 0.00 S ATOM 313 CE MET A 28 -9.179 -35.212 34.705 1.00 0.00 C ATOM 0 H MET A 28 -12.168 -39.252 33.301 1.00 0.00 H new ATOM 0 HA MET A 28 -12.586 -37.346 31.245 1.00 0.00 H new ATOM 0 HB2 MET A 28 -12.352 -36.827 33.675 1.00 0.00 H new ATOM 0 HB3 MET A 28 -10.685 -37.367 33.631 1.00 0.00 H new ATOM 0 HG2 MET A 28 -10.129 -35.556 32.040 1.00 0.00 H new ATOM 0 HG3 MET A 28 -11.799 -35.024 32.051 1.00 0.00 H new ATOM 0 HE1 MET A 28 -8.709 -34.548 35.430 1.00 0.00 H new ATOM 0 HE2 MET A 28 -9.416 -36.163 35.183 1.00 0.00 H new ATOM 0 HE3 MET A 28 -8.495 -35.384 33.874 1.00 0.00 H new ATOM 323 N VAL A 29 -9.574 -38.695 31.538 1.00 0.00 N ATOM 324 CA VAL A 29 -8.306 -38.940 30.858 1.00 0.00 C ATOM 325 C VAL A 29 -8.532 -39.706 29.566 1.00 0.00 C ATOM 326 O VAL A 29 -8.025 -39.330 28.512 1.00 0.00 O ATOM 327 CB VAL A 29 -7.346 -39.765 31.734 1.00 0.00 C ATOM 328 CG1 VAL A 29 -6.121 -40.183 30.935 1.00 0.00 C ATOM 329 CG2 VAL A 29 -6.883 -38.949 32.932 1.00 0.00 C ATOM 0 H VAL A 29 -9.651 -39.146 32.450 1.00 0.00 H new ATOM 0 HA VAL A 29 -7.866 -37.965 30.652 1.00 0.00 H new ATOM 0 HB VAL A 29 -7.885 -40.649 32.074 1.00 0.00 H new ATOM 0 HG11 VAL A 29 -5.454 -40.765 31.570 1.00 0.00 H new ATOM 0 HG12 VAL A 29 -6.431 -40.788 30.083 1.00 0.00 H new ATOM 0 HG13 VAL A 29 -5.599 -39.295 30.578 1.00 0.00 H new ATOM 0 HG21 VAL A 29 -6.205 -39.548 33.540 1.00 0.00 H new ATOM 0 HG22 VAL A 29 -6.365 -38.055 32.585 1.00 0.00 H new ATOM 0 HG23 VAL A 29 -7.747 -38.659 33.530 1.00 0.00 H new ATOM 339 N VAL A 30 -9.302 -40.785 29.666 1.00 0.00 N ATOM 340 CA VAL A 30 -9.616 -41.631 28.518 1.00 0.00 C ATOM 341 C VAL A 30 -10.268 -40.811 27.416 1.00 0.00 C ATOM 342 O VAL A 30 -9.955 -40.973 26.239 1.00 0.00 O ATOM 343 CB VAL A 30 -10.585 -42.765 28.901 1.00 0.00 C ATOM 344 CG1 VAL A 30 -11.060 -43.502 27.658 1.00 0.00 C ATOM 345 CG2 VAL A 30 -9.898 -43.765 29.819 1.00 0.00 C ATOM 0 H VAL A 30 -9.724 -41.097 30.540 1.00 0.00 H new ATOM 0 HA VAL A 30 -8.675 -42.058 28.172 1.00 0.00 H new ATOM 0 HB VAL A 30 -11.436 -42.316 29.413 1.00 0.00 H new ATOM 0 HG11 VAL A 30 -11.744 -44.300 27.947 1.00 0.00 H new ATOM 0 HG12 VAL A 30 -11.574 -42.805 26.996 1.00 0.00 H new ATOM 0 HG13 VAL A 30 -10.202 -43.930 27.139 1.00 0.00 H new ATOM 0 HG21 VAL A 30 -10.597 -44.560 30.080 1.00 0.00 H new ATOM 0 HG22 VAL A 30 -9.035 -44.194 29.309 1.00 0.00 H new ATOM 0 HG23 VAL A 30 -9.569 -43.259 30.727 1.00 0.00 H new ATOM 355 N VAL A 31 -11.179 -39.930 27.820 1.00 0.00 N ATOM 356 CA VAL A 31 -11.897 -39.065 26.886 1.00 0.00 C ATOM 357 C VAL A 31 -10.984 -37.966 26.367 1.00 0.00 C ATOM 358 O VAL A 31 -10.921 -37.713 25.167 1.00 0.00 O ATOM 359 CB VAL A 31 -13.110 -38.394 27.557 1.00 0.00 C ATOM 360 CG1 VAL A 31 -13.730 -37.363 26.627 1.00 0.00 C ATOM 361 CG2 VAL A 31 -14.170 -39.430 27.900 1.00 0.00 C ATOM 0 H VAL A 31 -11.440 -39.795 28.797 1.00 0.00 H new ATOM 0 HA VAL A 31 -12.237 -39.698 26.067 1.00 0.00 H new ATOM 0 HB VAL A 31 -12.759 -37.908 28.467 1.00 0.00 H new ATOM 0 HG11 VAL A 31 -14.586 -36.899 27.117 1.00 0.00 H new ATOM 0 HG12 VAL A 31 -12.991 -36.599 26.387 1.00 0.00 H new ATOM 0 HG13 VAL A 31 -14.058 -37.851 25.710 1.00 0.00 H new ATOM 0 HG21 VAL A 31 -15.020 -38.938 28.373 1.00 0.00 H new ATOM 0 HG22 VAL A 31 -14.501 -39.928 26.988 1.00 0.00 H new ATOM 0 HG23 VAL A 31 -13.750 -40.167 28.584 1.00 0.00 H new ATOM 371 N ILE A 32 -10.278 -37.323 27.292 1.00 0.00 N ATOM 372 CA ILE A 32 -9.357 -36.241 26.957 1.00 0.00 C ATOM 373 C ILE A 32 -8.243 -36.751 26.055 1.00 0.00 C ATOM 374 O ILE A 32 -7.973 -36.180 25.001 1.00 0.00 O ATOM 375 CB ILE A 32 -8.708 -35.641 28.218 1.00 0.00 C ATOM 376 CG1 ILE A 32 -9.757 -34.917 29.065 1.00 0.00 C ATOM 377 CG2 ILE A 32 -7.625 -34.644 27.837 1.00 0.00 C ATOM 378 CD1 ILE A 32 -9.262 -34.512 30.436 1.00 0.00 C ATOM 0 H ILE A 32 -10.327 -37.535 28.289 1.00 0.00 H new ATOM 0 HA ILE A 32 -9.941 -35.474 26.448 1.00 0.00 H new ATOM 0 HB ILE A 32 -8.271 -36.460 28.790 1.00 0.00 H new ATOM 0 HG12 ILE A 32 -10.090 -34.027 28.531 1.00 0.00 H new ATOM 0 HG13 ILE A 32 -10.627 -35.563 29.180 1.00 0.00 H new ATOM 0 HG21 ILE A 32 -7.177 -34.230 28.741 1.00 0.00 H new ATOM 0 HG22 ILE A 32 -6.857 -35.148 27.250 1.00 0.00 H new ATOM 0 HG23 ILE A 32 -8.063 -33.839 27.247 1.00 0.00 H new ATOM 0 HD11 ILE A 32 -10.061 -34.005 30.976 1.00 0.00 H new ATOM 0 HD12 ILE A 32 -8.957 -35.400 30.990 1.00 0.00 H new ATOM 0 HD13 ILE A 32 -8.411 -33.839 30.331 1.00 0.00 H new ATOM 390 N VAL A 33 -7.604 -37.836 26.487 1.00 0.00 N ATOM 391 CA VAL A 33 -6.513 -38.450 25.737 1.00 0.00 C ATOM 392 C VAL A 33 -7.054 -39.207 24.535 1.00 0.00 C ATOM 393 O VAL A 33 -6.558 -39.060 23.421 1.00 0.00 O ATOM 394 CB VAL A 33 -5.721 -39.444 26.606 1.00 0.00 C ATOM 395 CG1 VAL A 33 -4.712 -40.205 25.759 1.00 0.00 C ATOM 396 CG2 VAL A 33 -4.969 -38.710 27.705 1.00 0.00 C ATOM 0 H VAL A 33 -7.827 -38.311 27.362 1.00 0.00 H new ATOM 0 HA VAL A 33 -5.855 -37.643 25.416 1.00 0.00 H new ATOM 0 HB VAL A 33 -6.434 -40.140 27.048 1.00 0.00 H new ATOM 0 HG11 VAL A 33 -4.161 -40.903 26.389 1.00 0.00 H new ATOM 0 HG12 VAL A 33 -5.235 -40.756 24.978 1.00 0.00 H new ATOM 0 HG13 VAL A 33 -4.016 -39.501 25.302 1.00 0.00 H new ATOM 0 HG21 VAL A 33 -4.415 -39.428 28.309 1.00 0.00 H new ATOM 0 HG22 VAL A 33 -4.274 -37.999 27.258 1.00 0.00 H new ATOM 0 HG23 VAL A 33 -5.678 -38.175 28.337 1.00 0.00 H new ATOM 406 N GLY A 34 -8.076 -40.019 24.782 1.00 0.00 N ATOM 407 CA GLY A 34 -8.708 -40.818 23.735 1.00 0.00 C ATOM 408 C GLY A 34 -9.575 -39.942 22.847 1.00 0.00 C ATOM 409 O GLY A 34 -9.437 -39.949 21.626 1.00 0.00 O ATOM 0 H GLY A 34 -8.488 -40.143 25.707 1.00 0.00 H new ATOM 0 HA2 GLY A 34 -7.944 -41.311 23.134 1.00 0.00 H new ATOM 0 HA3 GLY A 34 -9.315 -41.603 24.185 1.00 0.00 H new ATOM 413 N ALA A 35 -10.470 -39.188 23.480 1.00 0.00 N ATOM 414 CA ALA A 35 -11.376 -38.291 22.770 1.00 0.00 C ATOM 415 C ALA A 35 -10.616 -37.102 22.203 1.00 0.00 C ATOM 416 O ALA A 35 -10.677 -36.827 21.007 1.00 0.00 O ATOM 417 CB ALA A 35 -12.451 -37.770 23.711 1.00 0.00 C ATOM 0 H ALA A 35 -10.587 -39.182 24.493 1.00 0.00 H new ATOM 0 HA ALA A 35 -11.834 -38.856 21.958 1.00 0.00 H new ATOM 0 HB1 ALA A 35 -13.119 -37.102 23.167 1.00 0.00 H new ATOM 0 HB2 ALA A 35 -13.022 -38.608 24.110 1.00 0.00 H new ATOM 0 HB3 ALA A 35 -11.984 -37.226 24.532 1.00 0.00 H new ATOM 423 N THR A 36 -9.901 -36.405 23.082 1.00 0.00 N ATOM 424 CA THR A 36 -9.115 -35.237 22.697 1.00 0.00 C ATOM 425 C THR A 36 -8.010 -35.635 21.734 1.00 0.00 C ATOM 426 O THR A 36 -7.898 -35.084 20.640 1.00 0.00 O ATOM 427 CB THR A 36 -8.460 -34.569 23.920 1.00 0.00 C ATOM 428 OG1 THR A 36 -9.476 -34.131 24.830 1.00 0.00 O ATOM 429 CG2 THR A 36 -7.632 -33.368 23.492 1.00 0.00 C ATOM 0 H THR A 36 -9.850 -36.632 24.075 1.00 0.00 H new ATOM 0 HA THR A 36 -9.801 -34.535 22.223 1.00 0.00 H new ATOM 0 HB THR A 36 -7.811 -35.298 24.405 1.00 0.00 H new ATOM 0 HG1 THR A 36 -9.160 -33.342 25.318 1.00 0.00 H new ATOM 0 HG21 THR A 36 -7.177 -32.909 24.369 1.00 0.00 H new ATOM 0 HG22 THR A 36 -6.850 -33.691 22.805 1.00 0.00 H new ATOM 0 HG23 THR A 36 -8.275 -32.642 22.994 1.00 0.00 H new ATOM 437 N ILE A 37 -7.195 -36.596 22.158 1.00 0.00 N ATOM 438 CA ILE A 37 -6.084 -37.090 21.351 1.00 0.00 C ATOM 439 C ILE A 37 -6.595 -37.957 20.212 1.00 0.00 C ATOM 440 O ILE A 37 -6.060 -37.925 19.105 1.00 0.00 O ATOM 441 CB ILE A 37 -5.110 -37.938 22.190 1.00 0.00 C ATOM 442 CG1 ILE A 37 -4.402 -37.066 23.229 1.00 0.00 C ATOM 443 CG2 ILE A 37 -4.057 -38.578 21.299 1.00 0.00 C ATOM 444 CD1 ILE A 37 -3.616 -37.854 24.253 1.00 0.00 C ATOM 0 H ILE A 37 -7.285 -37.052 23.066 1.00 0.00 H new ATOM 0 HA ILE A 37 -5.564 -36.215 20.961 1.00 0.00 H new ATOM 0 HB ILE A 37 -5.689 -38.714 22.691 1.00 0.00 H new ATOM 0 HG12 ILE A 37 -3.728 -36.381 22.716 1.00 0.00 H new ATOM 0 HG13 ILE A 37 -5.144 -36.456 23.745 1.00 0.00 H new ATOM 0 HG21 ILE A 37 -3.377 -39.173 21.909 1.00 0.00 H new ATOM 0 HG22 ILE A 37 -4.543 -39.220 20.565 1.00 0.00 H new ATOM 0 HG23 ILE A 37 -3.494 -37.799 20.784 1.00 0.00 H new ATOM 0 HD11 ILE A 37 -3.143 -37.168 24.955 1.00 0.00 H new ATOM 0 HD12 ILE A 37 -4.288 -38.520 24.794 1.00 0.00 H new ATOM 0 HD13 ILE A 37 -2.850 -38.443 23.749 1.00 0.00 H new ATOM 456 N GLY A 38 -7.640 -38.728 20.502 1.00 0.00 N ATOM 457 CA GLY A 38 -8.250 -39.616 19.517 1.00 0.00 C ATOM 458 C GLY A 38 -8.930 -38.813 18.422 1.00 0.00 C ATOM 459 O GLY A 38 -8.755 -39.084 17.236 1.00 0.00 O ATOM 0 H GLY A 38 -8.085 -38.755 21.419 1.00 0.00 H new ATOM 0 HA2 GLY A 38 -7.488 -40.263 19.081 1.00 0.00 H new ATOM 0 HA3 GLY A 38 -8.978 -40.264 20.005 1.00 0.00 H new ATOM 463 N ILE A 39 -9.711 -37.818 18.839 1.00 0.00 N ATOM 464 CA ILE A 39 -10.432 -36.952 17.913 1.00 0.00 C ATOM 465 C ILE A 39 -9.465 -36.246 16.976 1.00 0.00 C ATOM 466 O ILE A 39 -9.712 -36.140 15.777 1.00 0.00 O ATOM 467 CB ILE A 39 -11.237 -35.873 18.660 1.00 0.00 C ATOM 468 CG1 ILE A 39 -12.380 -36.512 19.452 1.00 0.00 C ATOM 469 CG2 ILE A 39 -11.831 -34.875 17.678 1.00 0.00 C ATOM 470 CD1 ILE A 39 -13.374 -37.261 18.592 1.00 0.00 C ATOM 0 H ILE A 39 -9.860 -37.592 19.822 1.00 0.00 H new ATOM 0 HA ILE A 39 -11.112 -37.591 17.349 1.00 0.00 H new ATOM 0 HB ILE A 39 -10.556 -35.361 19.340 1.00 0.00 H new ATOM 0 HG12 ILE A 39 -11.961 -37.198 20.188 1.00 0.00 H new ATOM 0 HG13 ILE A 39 -12.906 -35.734 20.005 1.00 0.00 H new ATOM 0 HG21 ILE A 39 -12.396 -34.120 18.224 1.00 0.00 H new ATOM 0 HG22 ILE A 39 -11.029 -34.394 17.119 1.00 0.00 H new ATOM 0 HG23 ILE A 39 -12.494 -35.395 16.987 1.00 0.00 H new ATOM 0 HD11 ILE A 39 -14.154 -37.686 19.224 1.00 0.00 H new ATOM 0 HD12 ILE A 39 -13.822 -36.575 17.873 1.00 0.00 H new ATOM 0 HD13 ILE A 39 -12.863 -38.062 18.059 1.00 0.00 H new ATOM 482 N LYS A 40 -8.362 -35.768 17.545 1.00 0.00 N ATOM 483 CA LYS A 40 -7.334 -35.066 16.782 1.00 0.00 C ATOM 484 C LYS A 40 -6.829 -35.935 15.643 1.00 0.00 C ATOM 485 O LYS A 40 -6.683 -35.473 14.514 1.00 0.00 O ATOM 486 CB LYS A 40 -6.148 -34.711 17.681 1.00 0.00 C ATOM 487 CG LYS A 40 -5.048 -33.931 16.979 1.00 0.00 C ATOM 488 CD LYS A 40 -3.931 -33.564 17.942 1.00 0.00 C ATOM 489 CE LYS A 40 -2.824 -32.797 17.236 1.00 0.00 C ATOM 490 NZ LYS A 40 -1.727 -32.420 18.170 1.00 0.00 N ATOM 0 H LYS A 40 -8.156 -35.855 18.540 1.00 0.00 H new ATOM 0 HA LYS A 40 -7.781 -34.156 16.382 1.00 0.00 H new ATOM 0 HB2 LYS A 40 -6.510 -34.127 18.527 1.00 0.00 H new ATOM 0 HB3 LYS A 40 -5.725 -35.630 18.086 1.00 0.00 H new ATOM 0 HG2 LYS A 40 -4.644 -34.525 16.159 1.00 0.00 H new ATOM 0 HG3 LYS A 40 -5.465 -33.025 16.540 1.00 0.00 H new ATOM 0 HD2 LYS A 40 -4.333 -32.960 18.756 1.00 0.00 H new ATOM 0 HD3 LYS A 40 -3.521 -34.470 18.389 1.00 0.00 H new ATOM 0 HE2 LYS A 40 -2.419 -33.406 16.427 1.00 0.00 H new ATOM 0 HE3 LYS A 40 -3.239 -31.897 16.781 1.00 0.00 H new ATOM 0 HZ1 LYS A 40 -0.992 -31.899 17.650 1.00 0.00 H new ATOM 0 HZ2 LYS A 40 -2.108 -31.818 18.928 1.00 0.00 H new ATOM 0 HZ3 LYS A 40 -1.314 -33.279 18.585 1.00 0.00 H new ATOM 504 N LEU A 41 -6.565 -37.200 15.958 1.00 0.00 N ATOM 505 CA LEU A 41 -6.073 -38.162 14.978 1.00 0.00 C ATOM 506 C LEU A 41 -7.006 -38.226 13.780 1.00 0.00 C ATOM 507 O LEU A 41 -6.569 -38.432 12.650 1.00 0.00 O ATOM 508 CB LEU A 41 -5.984 -39.559 15.596 1.00 0.00 C ATOM 509 CG LEU A 41 -5.329 -40.641 14.735 1.00 0.00 C ATOM 510 CD1 LEU A 41 -3.872 -40.300 14.460 1.00 0.00 C ATOM 511 CD2 LEU A 41 -5.377 -41.989 15.437 1.00 0.00 C ATOM 0 H LEU A 41 -6.685 -37.585 16.895 1.00 0.00 H new ATOM 0 HA LEU A 41 -5.083 -37.834 14.659 1.00 0.00 H new ATOM 0 HB2 LEU A 41 -5.430 -39.484 16.532 1.00 0.00 H new ATOM 0 HB3 LEU A 41 -6.993 -39.886 15.848 1.00 0.00 H new ATOM 0 HG LEU A 41 -5.883 -40.691 13.797 1.00 0.00 H new ATOM 0 HD11 LEU A 41 -3.425 -41.082 13.846 1.00 0.00 H new ATOM 0 HD12 LEU A 41 -3.814 -39.348 13.933 1.00 0.00 H new ATOM 0 HD13 LEU A 41 -3.331 -40.226 15.404 1.00 0.00 H new ATOM 0 HD21 LEU A 41 -4.906 -42.744 14.808 1.00 0.00 H new ATOM 0 HD22 LEU A 41 -4.845 -41.924 16.386 1.00 0.00 H new ATOM 0 HD23 LEU A 41 -6.415 -42.266 15.621 1.00 0.00 H new ATOM 523 N PHE A 42 -8.297 -38.047 14.046 1.00 0.00 N ATOM 524 CA PHE A 42 -9.321 -38.078 13.005 1.00 0.00 C ATOM 525 C PHE A 42 -9.081 -36.973 11.991 1.00 0.00 C ATOM 526 O PHE A 42 -9.170 -37.196 10.785 1.00 0.00 O ATOM 527 CB PHE A 42 -10.711 -37.882 13.614 1.00 0.00 C ATOM 528 CG PHE A 42 -11.824 -37.916 12.607 1.00 0.00 C ATOM 529 CD1 PHE A 42 -12.279 -39.119 12.096 1.00 0.00 C ATOM 530 CD2 PHE A 42 -12.418 -36.744 12.171 1.00 0.00 C ATOM 531 CE1 PHE A 42 -13.303 -39.150 11.169 1.00 0.00 C ATOM 532 CE2 PHE A 42 -13.443 -36.775 11.244 1.00 0.00 C ATOM 533 CZ PHE A 42 -13.886 -37.971 10.743 1.00 0.00 C ATOM 0 H PHE A 42 -8.662 -37.877 14.983 1.00 0.00 H new ATOM 0 HA PHE A 42 -9.266 -39.050 12.514 1.00 0.00 H new ATOM 0 HB2 PHE A 42 -10.884 -38.659 14.359 1.00 0.00 H new ATOM 0 HB3 PHE A 42 -10.737 -36.926 14.138 1.00 0.00 H new ATOM 0 HD1 PHE A 42 -11.829 -40.044 12.425 1.00 0.00 H new ATOM 0 HD2 PHE A 42 -12.077 -35.796 12.559 1.00 0.00 H new ATOM 0 HE1 PHE A 42 -13.648 -40.095 10.777 1.00 0.00 H new ATOM 0 HE2 PHE A 42 -13.897 -35.852 10.913 1.00 0.00 H new ATOM 0 HZ PHE A 42 -14.687 -37.993 10.019 1.00 0.00 H new ATOM 543 N LYS A 43 -8.779 -35.782 12.498 1.00 0.00 N ATOM 544 CA LYS A 43 -8.521 -34.618 11.656 1.00 0.00 C ATOM 545 C LYS A 43 -7.195 -34.769 10.928 1.00 0.00 C ATOM 546 O LYS A 43 -7.089 -34.477 9.740 1.00 0.00 O ATOM 547 CB LYS A 43 -8.464 -33.346 12.504 1.00 0.00 C ATOM 548 CG LYS A 43 -9.807 -32.918 13.073 1.00 0.00 C ATOM 549 CD LYS A 43 -9.680 -31.643 13.890 1.00 0.00 C ATOM 550 CE LYS A 43 -11.023 -31.216 14.459 1.00 0.00 C ATOM 551 NZ LYS A 43 -10.912 -29.975 15.274 1.00 0.00 N ATOM 0 H LYS A 43 -8.706 -35.596 13.498 1.00 0.00 H new ATOM 0 HA LYS A 43 -9.333 -34.546 10.933 1.00 0.00 H new ATOM 0 HB2 LYS A 43 -7.766 -33.502 13.327 1.00 0.00 H new ATOM 0 HB3 LYS A 43 -8.064 -32.535 11.896 1.00 0.00 H new ATOM 0 HG2 LYS A 43 -10.516 -32.762 12.260 1.00 0.00 H new ATOM 0 HG3 LYS A 43 -10.210 -33.715 13.699 1.00 0.00 H new ATOM 0 HD2 LYS A 43 -8.971 -31.799 14.703 1.00 0.00 H new ATOM 0 HD3 LYS A 43 -9.278 -30.846 13.264 1.00 0.00 H new ATOM 0 HE2 LYS A 43 -11.727 -31.053 13.643 1.00 0.00 H new ATOM 0 HE3 LYS A 43 -11.428 -32.019 15.074 1.00 0.00 H new ATOM 0 HZ1 LYS A 43 -11.849 -29.718 15.644 1.00 0.00 H new ATOM 0 HZ2 LYS A 43 -10.260 -30.138 16.067 1.00 0.00 H new ATOM 0 HZ3 LYS A 43 -10.549 -29.201 14.681 1.00 0.00 H new ATOM 565 N LYS A 44 -6.186 -35.233 11.662 1.00 0.00 N ATOM 566 CA LYS A 44 -4.850 -35.436 11.112 1.00 0.00 C ATOM 567 C LYS A 44 -4.822 -36.668 10.221 1.00 0.00 C ATOM 568 O LYS A 44 -4.270 -36.640 9.123 1.00 0.00 O ATOM 569 CB LYS A 44 -3.831 -35.630 12.237 1.00 0.00 C ATOM 570 CG LYS A 44 -3.546 -34.371 13.040 1.00 0.00 C ATOM 571 CD LYS A 44 -2.872 -33.311 12.183 1.00 0.00 C ATOM 572 CE LYS A 44 -2.544 -32.070 12.997 1.00 0.00 C ATOM 573 NZ LYS A 44 -1.918 -31.008 12.163 1.00 0.00 N ATOM 0 H LYS A 44 -6.271 -35.477 12.649 1.00 0.00 H new ATOM 0 HA LYS A 44 -4.594 -34.552 10.529 1.00 0.00 H new ATOM 0 HB2 LYS A 44 -4.195 -36.404 12.912 1.00 0.00 H new ATOM 0 HB3 LYS A 44 -2.897 -35.994 11.808 1.00 0.00 H new ATOM 0 HG2 LYS A 44 -4.478 -33.976 13.445 1.00 0.00 H new ATOM 0 HG3 LYS A 44 -2.908 -34.615 13.889 1.00 0.00 H new ATOM 0 HD2 LYS A 44 -1.958 -33.717 11.751 1.00 0.00 H new ATOM 0 HD3 LYS A 44 -3.525 -33.042 11.353 1.00 0.00 H new ATOM 0 HE2 LYS A 44 -3.456 -31.683 13.453 1.00 0.00 H new ATOM 0 HE3 LYS A 44 -1.870 -32.337 13.811 1.00 0.00 H new ATOM 0 HZ1 LYS A 44 -1.710 -30.179 12.755 1.00 0.00 H new ATOM 0 HZ2 LYS A 44 -1.035 -31.368 11.748 1.00 0.00 H new ATOM 0 HZ3 LYS A 44 -2.571 -30.734 11.402 1.00 0.00 H new ATOM 587 N PHE A 45 -5.426 -37.744 10.713 1.00 0.00 N ATOM 588 CA PHE A 45 -5.487 -39.007 9.981 1.00 0.00 C ATOM 589 C PHE A 45 -6.501 -38.918 8.851 1.00 0.00 C ATOM 590 O PHE A 45 -6.251 -39.383 7.741 1.00 0.00 O ATOM 591 CB PHE A 45 -5.900 -40.147 10.914 1.00 0.00 C ATOM 592 CG PHE A 45 -5.947 -41.491 10.244 1.00 0.00 C ATOM 593 CD1 PHE A 45 -4.783 -42.195 9.990 1.00 0.00 C ATOM 594 CD2 PHE A 45 -7.156 -42.051 9.869 1.00 0.00 C ATOM 595 CE1 PHE A 45 -4.826 -43.431 9.374 1.00 0.00 C ATOM 596 CE2 PHE A 45 -7.199 -43.288 9.252 1.00 0.00 C ATOM 597 CZ PHE A 45 -6.041 -43.977 9.005 1.00 0.00 C ATOM 0 H PHE A 45 -5.885 -37.768 11.624 1.00 0.00 H new ATOM 0 HA PHE A 45 -4.495 -39.204 9.573 1.00 0.00 H new ATOM 0 HB2 PHE A 45 -5.201 -40.192 11.749 1.00 0.00 H new ATOM 0 HB3 PHE A 45 -6.882 -39.925 11.332 1.00 0.00 H new ATOM 0 HD1 PHE A 45 -3.831 -41.774 10.276 1.00 0.00 H new ATOM 0 HD2 PHE A 45 -8.075 -41.517 10.060 1.00 0.00 H new ATOM 0 HE1 PHE A 45 -3.910 -43.970 9.181 1.00 0.00 H new ATOM 0 HE2 PHE A 45 -8.149 -43.713 8.964 1.00 0.00 H new ATOM 0 HZ PHE A 45 -6.077 -44.943 8.524 1.00 0.00 H new ATOM 607 N THR A 46 -7.647 -38.315 9.152 1.00 0.00 N ATOM 608 CA THR A 46 -8.722 -38.149 8.178 1.00 0.00 C ATOM 609 C THR A 46 -8.374 -37.055 7.184 1.00 0.00 C ATOM 610 O THR A 46 -8.573 -37.208 5.981 1.00 0.00 O ATOM 611 CB THR A 46 -10.048 -37.765 8.861 1.00 0.00 C ATOM 612 OG1 THR A 46 -10.447 -38.808 9.758 1.00 0.00 O ATOM 613 CG2 THR A 46 -11.142 -37.561 7.824 1.00 0.00 C ATOM 0 H THR A 46 -7.857 -37.929 10.073 1.00 0.00 H new ATOM 0 HA THR A 46 -8.839 -39.106 7.669 1.00 0.00 H new ATOM 0 HB THR A 46 -9.897 -36.836 9.411 1.00 0.00 H new ATOM 0 HG1 THR A 46 -10.623 -38.428 10.644 1.00 0.00 H new ATOM 0 HG21 THR A 46 -12.072 -37.290 8.324 1.00 0.00 H new ATOM 0 HG22 THR A 46 -10.852 -36.763 7.141 1.00 0.00 H new ATOM 0 HG23 THR A 46 -11.288 -38.484 7.262 1.00 0.00 H new ATOM 621 N SER A 47 -7.851 -35.948 7.705 1.00 0.00 N ATOM 622 CA SER A 47 -7.465 -34.805 6.884 1.00 0.00 C ATOM 623 C SER A 47 -6.173 -35.099 6.138 1.00 0.00 C ATOM 624 O SER A 47 -6.039 -34.781 4.959 1.00 0.00 O ATOM 625 CB SER A 47 -7.249 -33.567 7.757 1.00 0.00 C ATOM 626 OG SER A 47 -6.863 -32.451 6.973 1.00 0.00 O ATOM 0 H SER A 47 -7.684 -35.819 8.703 1.00 0.00 H new ATOM 0 HA SER A 47 -8.269 -34.619 6.172 1.00 0.00 H new ATOM 0 HB2 SER A 47 -8.166 -33.335 8.298 1.00 0.00 H new ATOM 0 HB3 SER A 47 -6.482 -33.774 8.503 1.00 0.00 H new ATOM 0 HG SER A 47 -6.733 -31.673 7.554 1.00 0.00 H new ATOM 632 N LYS A 48 -5.228 -35.709 6.846 1.00 0.00 N ATOM 633 CA LYS A 48 -3.929 -36.060 6.276 1.00 0.00 C ATOM 634 C LYS A 48 -4.061 -37.263 5.356 1.00 0.00 C ATOM 635 O LYS A 48 -3.449 -37.311 4.290 1.00 0.00 O ATOM 636 CB LYS A 48 -2.933 -36.405 7.385 1.00 0.00 C ATOM 637 CG LYS A 48 -2.497 -35.213 8.221 1.00 0.00 C ATOM 638 CD LYS A 48 -1.709 -34.214 7.389 1.00 0.00 C ATOM 639 CE LYS A 48 -1.233 -33.044 8.235 1.00 0.00 C ATOM 640 NZ LYS A 48 -0.492 -32.038 7.426 1.00 0.00 N ATOM 0 H LYS A 48 -5.338 -35.973 7.825 1.00 0.00 H new ATOM 0 HA LYS A 48 -3.569 -35.200 5.711 1.00 0.00 H new ATOM 0 HB2 LYS A 48 -3.381 -37.151 8.041 1.00 0.00 H new ATOM 0 HB3 LYS A 48 -2.051 -36.863 6.937 1.00 0.00 H new ATOM 0 HG2 LYS A 48 -3.374 -34.724 8.646 1.00 0.00 H new ATOM 0 HG3 LYS A 48 -1.886 -35.556 9.056 1.00 0.00 H new ATOM 0 HD2 LYS A 48 -0.851 -34.711 6.936 1.00 0.00 H new ATOM 0 HD3 LYS A 48 -2.331 -33.846 6.573 1.00 0.00 H new ATOM 0 HE2 LYS A 48 -2.090 -32.567 8.710 1.00 0.00 H new ATOM 0 HE3 LYS A 48 -0.590 -33.412 9.034 1.00 0.00 H new ATOM 0 HZ1 LYS A 48 -0.185 -31.257 8.040 1.00 0.00 H new ATOM 0 HZ2 LYS A 48 0.341 -32.486 6.993 1.00 0.00 H new ATOM 0 HZ3 LYS A 48 -1.113 -31.667 6.679 1.00 0.00 H new ATOM 654 N ALA A 49 -4.866 -38.230 5.785 1.00 0.00 N ATOM 655 CA ALA A 49 -5.098 -39.451 5.017 1.00 0.00 C ATOM 0 H ALA A 49 -5.374 -38.191 6.669 1.00 0.00 H new TER 658 ALA A 49