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=-0.91) USER MOD Single : A 17 SER OG : rot 76:sc= 1.04 USER MOD Single : A 19 THR OG1 : rot 83:sc= -0.851! USER MOD Single : A 21 MET CE :methyl 167:sc=-0.00866 (180deg=-0.247) USER MOD Single : A 24 TYR OH : rot 180:sc= 0 USER MOD Single : A 28 MET CE :methyl 166:sc=-0.00874 (180deg=-0.235) USER MOD Single : A 36 THR OG1 : rot -150:sc= -1.49! 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 69:sc= 0.566 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 28.244 -13.114 62.519 1.00 0.00 C ATOM 2 C PRO A 6 27.509 -12.297 61.468 1.00 0.00 C ATOM 3 O PRO A 6 26.981 -12.843 60.501 1.00 0.00 O ATOM 5 N ALA A 7 27.482 -10.984 61.675 1.00 0.00 N ATOM 6 CA ALA A 7 26.817 -10.063 60.759 1.00 0.00 C ATOM 7 C ALA A 7 27.591 -9.956 59.456 1.00 0.00 C ATOM 8 O ALA A 7 27.005 -9.861 58.380 1.00 0.00 O ATOM 9 CB ALA A 7 26.721 -8.677 61.378 1.00 0.00 C ATOM 0 H ALA A 7 27.918 -10.530 62.478 1.00 0.00 H new ATOM 0 HA ALA A 7 25.818 -10.451 60.563 1.00 0.00 H new ATOM 0 HB1 ALA A 7 26.223 -8.002 60.683 1.00 0.00 H new ATOM 0 HB2 ALA A 7 26.149 -8.731 62.304 1.00 0.00 H new ATOM 0 HB3 ALA A 7 27.723 -8.304 61.591 1.00 0.00 H new ATOM 15 N LYS A 8 28.918 -9.972 59.573 1.00 0.00 N ATOM 16 CA LYS A 8 29.803 -9.877 58.416 1.00 0.00 C ATOM 17 C LYS A 8 29.416 -10.904 57.364 1.00 0.00 C ATOM 18 O LYS A 8 29.351 -10.596 56.176 1.00 0.00 O ATOM 19 CB LYS A 8 31.254 -10.131 58.829 1.00 0.00 C ATOM 20 CG LYS A 8 32.256 -9.988 57.695 1.00 0.00 C ATOM 21 CD LYS A 8 33.679 -10.198 58.186 1.00 0.00 C ATOM 22 CE LYS A 8 34.680 -10.069 57.050 1.00 0.00 C ATOM 23 NZ LYS A 8 36.081 -10.261 57.519 1.00 0.00 N ATOM 0 H LYS A 8 29.406 -10.051 60.465 1.00 0.00 H new ATOM 0 HA LYS A 8 29.706 -8.872 58.005 1.00 0.00 H new ATOM 0 HB2 LYS A 8 31.521 -9.436 59.625 1.00 0.00 H new ATOM 0 HB3 LYS A 8 31.332 -11.136 59.244 1.00 0.00 H new ATOM 0 HG2 LYS A 8 32.028 -10.712 56.912 1.00 0.00 H new ATOM 0 HG3 LYS A 8 32.165 -8.997 57.249 1.00 0.00 H new ATOM 0 HD2 LYS A 8 33.910 -9.468 58.962 1.00 0.00 H new ATOM 0 HD3 LYS A 8 33.767 -11.185 58.641 1.00 0.00 H new ATOM 0 HE2 LYS A 8 34.451 -10.805 56.279 1.00 0.00 H new ATOM 0 HE3 LYS A 8 34.583 -9.085 56.590 1.00 0.00 H new ATOM 0 HZ1 LYS A 8 36.733 -10.165 56.714 1.00 0.00 H new ATOM 0 HZ2 LYS A 8 36.309 -9.543 58.236 1.00 0.00 H new ATOM 0 HZ3 LYS A 8 36.181 -11.209 57.935 1.00 0.00 H new ATOM 37 N ALA A 9 29.162 -12.126 57.820 1.00 0.00 N ATOM 38 CA ALA A 9 28.778 -13.223 56.937 1.00 0.00 C ATOM 39 C ALA A 9 27.354 -13.031 56.436 1.00 0.00 C ATOM 40 O ALA A 9 27.030 -13.391 55.307 1.00 0.00 O ATOM 41 CB ALA A 9 28.854 -14.550 57.676 1.00 0.00 C ATOM 0 H ALA A 9 29.216 -12.384 58.805 1.00 0.00 H new ATOM 0 HA ALA A 9 29.468 -13.229 56.093 1.00 0.00 H new ATOM 0 HB1 ALA A 9 28.565 -15.358 57.004 1.00 0.00 H new ATOM 0 HB2 ALA A 9 29.874 -14.715 58.024 1.00 0.00 H new ATOM 0 HB3 ALA A 9 28.178 -14.530 58.531 1.00 0.00 H new ATOM 47 N ALA A 10 26.516 -12.455 57.292 1.00 0.00 N ATOM 48 CA ALA A 10 25.118 -12.200 56.962 1.00 0.00 C ATOM 49 C ALA A 10 25.011 -11.133 55.884 1.00 0.00 C ATOM 50 O ALA A 10 24.277 -11.292 54.911 1.00 0.00 O ATOM 51 CB ALA A 10 24.362 -11.720 58.192 1.00 0.00 C ATOM 0 H ALA A 10 26.785 -12.153 58.229 1.00 0.00 H new ATOM 0 HA ALA A 10 24.685 -13.133 56.601 1.00 0.00 H new ATOM 0 HB1 ALA A 10 23.321 -11.534 57.929 1.00 0.00 H new ATOM 0 HB2 ALA A 10 24.410 -12.483 58.969 1.00 0.00 H new ATOM 0 HB3 ALA A 10 24.813 -10.799 58.560 1.00 0.00 H new ATOM 57 N PHE A 11 25.756 -10.048 56.073 1.00 0.00 N ATOM 58 CA PHE A 11 25.766 -8.934 55.129 1.00 0.00 C ATOM 59 C PHE A 11 26.533 -9.309 53.873 1.00 0.00 C ATOM 60 O PHE A 11 26.108 -9.008 52.759 1.00 0.00 O ATOM 61 CB PHE A 11 26.433 -7.707 55.755 1.00 0.00 C ATOM 62 CG PHE A 11 26.447 -6.502 54.859 1.00 0.00 C ATOM 63 CD1 PHE A 11 25.309 -5.731 54.694 1.00 0.00 C ATOM 64 CD2 PHE A 11 27.598 -6.139 54.181 1.00 0.00 C ATOM 65 CE1 PHE A 11 25.322 -4.622 53.869 1.00 0.00 C ATOM 66 CE2 PHE A 11 27.611 -5.030 53.357 1.00 0.00 C ATOM 67 CZ PHE A 11 26.480 -4.272 53.199 1.00 0.00 C ATOM 0 H PHE A 11 26.366 -9.916 56.879 1.00 0.00 H new ATOM 0 HA PHE A 11 24.731 -8.703 54.876 1.00 0.00 H new ATOM 0 HB2 PHE A 11 25.914 -7.455 56.680 1.00 0.00 H new ATOM 0 HB3 PHE A 11 27.458 -7.960 56.024 1.00 0.00 H new ATOM 0 HD1 PHE A 11 24.402 -5.999 55.215 1.00 0.00 H new ATOM 0 HD2 PHE A 11 28.495 -6.729 54.297 1.00 0.00 H new ATOM 0 HE1 PHE A 11 24.428 -4.029 53.748 1.00 0.00 H new ATOM 0 HE2 PHE A 11 28.517 -4.759 52.835 1.00 0.00 H new ATOM 0 HZ PHE A 11 26.493 -3.406 52.554 1.00 0.00 H new ATOM 77 N ASP A 12 27.671 -9.969 54.071 1.00 0.00 N ATOM 78 CA ASP A 12 28.526 -10.402 52.968 1.00 0.00 C ATOM 79 C ASP A 12 27.890 -11.566 52.226 1.00 0.00 C ATOM 80 O ASP A 12 27.969 -11.652 51.003 1.00 0.00 O ATOM 81 CB ASP A 12 29.891 -10.851 53.493 1.00 0.00 C ATOM 82 CG ASP A 12 30.887 -11.108 52.379 1.00 0.00 C ATOM 83 OD1 ASP A 12 31.125 -10.187 51.571 1.00 0.00 O ATOM 84 OD2 ASP A 12 31.430 -12.231 52.316 1.00 0.00 O ATOM 0 H ASP A 12 28.025 -10.218 54.994 1.00 0.00 H new ATOM 0 HA ASP A 12 28.649 -9.556 52.292 1.00 0.00 H new ATOM 0 HB2 ASP A 12 30.288 -10.087 54.162 1.00 0.00 H new ATOM 0 HB3 ASP A 12 29.769 -11.759 54.083 1.00 0.00 H new ATOM 90 N SER A 13 27.259 -12.457 52.986 1.00 0.00 N ATOM 91 CA SER A 13 26.598 -13.631 52.427 1.00 0.00 C ATOM 92 C SER A 13 25.428 -13.215 51.549 1.00 0.00 C ATOM 93 O SER A 13 25.251 -13.732 50.447 1.00 0.00 O ATOM 94 CB SER A 13 26.068 -14.531 53.545 1.00 0.00 C ATOM 95 OG SER A 13 25.423 -15.676 53.016 1.00 0.00 O ATOM 0 H SER A 13 27.192 -12.386 54.001 1.00 0.00 H new ATOM 0 HA SER A 13 27.332 -14.174 51.832 1.00 0.00 H new ATOM 0 HB2 SER A 13 26.892 -14.839 54.189 1.00 0.00 H new ATOM 0 HB3 SER A 13 25.369 -13.971 54.166 1.00 0.00 H new ATOM 0 HG SER A 13 25.095 -16.235 53.751 1.00 0.00 H new ATOM 101 N LEU A 14 24.636 -12.273 52.054 1.00 0.00 N ATOM 102 CA LEU A 14 23.471 -11.765 51.335 1.00 0.00 C ATOM 103 C LEU A 14 23.901 -11.042 50.070 1.00 0.00 C ATOM 104 O LEU A 14 23.355 -11.272 48.994 1.00 0.00 O ATOM 105 CB LEU A 14 22.687 -10.785 52.210 1.00 0.00 C ATOM 106 CG LEU A 14 21.420 -10.190 51.593 1.00 0.00 C ATOM 107 CD1 LEU A 14 20.397 -11.279 51.308 1.00 0.00 C ATOM 108 CD2 LEU A 14 20.786 -9.178 52.536 1.00 0.00 C ATOM 0 H LEU A 14 24.782 -11.843 52.967 1.00 0.00 H new ATOM 0 HA LEU A 14 22.841 -12.617 51.078 1.00 0.00 H new ATOM 0 HB2 LEU A 14 22.411 -11.295 53.133 1.00 0.00 H new ATOM 0 HB3 LEU A 14 23.351 -9.966 52.485 1.00 0.00 H new ATOM 0 HG LEU A 14 21.710 -9.701 50.663 1.00 0.00 H new ATOM 0 HD11 LEU A 14 19.504 -10.834 50.870 1.00 0.00 H new ATOM 0 HD12 LEU A 14 20.821 -12.003 50.612 1.00 0.00 H new ATOM 0 HD13 LEU A 14 20.132 -11.782 52.238 1.00 0.00 H new ATOM 0 HD21 LEU A 14 19.886 -8.767 52.077 1.00 0.00 H new ATOM 0 HD22 LEU A 14 20.524 -9.669 53.473 1.00 0.00 H new ATOM 0 HD23 LEU A 14 21.493 -8.372 52.734 1.00 0.00 H new ATOM 120 N GLN A 15 24.888 -10.161 50.219 1.00 0.00 N ATOM 121 CA GLN A 15 25.414 -9.383 49.101 1.00 0.00 C ATOM 122 C GLN A 15 25.849 -10.301 47.971 1.00 0.00 C ATOM 123 O GLN A 15 25.614 -10.016 46.799 1.00 0.00 O ATOM 124 CB GLN A 15 26.623 -8.557 49.545 1.00 0.00 C ATOM 125 CG GLN A 15 27.185 -7.649 48.463 1.00 0.00 C ATOM 126 CD GLN A 15 28.339 -6.799 48.957 1.00 0.00 C ATOM 127 OE1 GLN A 15 28.740 -6.894 50.118 1.00 0.00 O ATOM 128 NE2 GLN A 15 28.878 -5.965 48.076 1.00 0.00 N ATOM 0 H GLN A 15 25.342 -9.968 51.111 1.00 0.00 H new ATOM 0 HA GLN A 15 24.620 -8.721 48.755 1.00 0.00 H new ATOM 0 HB2 GLN A 15 26.338 -7.948 50.403 1.00 0.00 H new ATOM 0 HB3 GLN A 15 27.409 -9.234 49.881 1.00 0.00 H new ATOM 0 HG2 GLN A 15 27.520 -8.256 47.622 1.00 0.00 H new ATOM 0 HG3 GLN A 15 26.393 -6.999 48.092 1.00 0.00 H new ATOM 0 HE21 GLN A 15 28.512 -5.921 47.125 1.00 0.00 H new ATOM 0 HE22 GLN A 15 29.658 -5.368 48.350 1.00 0.00 H new ATOM 137 N ALA A 16 26.487 -11.408 48.345 1.00 0.00 N ATOM 138 CA ALA A 16 26.970 -12.393 47.380 1.00 0.00 C ATOM 139 C ALA A 16 25.808 -13.171 46.787 1.00 0.00 C ATOM 140 O ALA A 16 25.707 -13.328 45.572 1.00 0.00 O ATOM 141 CB ALA A 16 27.915 -13.376 48.054 1.00 0.00 C ATOM 0 H ALA A 16 26.683 -11.646 49.317 1.00 0.00 H new ATOM 0 HA ALA A 16 27.495 -11.856 46.590 1.00 0.00 H new ATOM 0 HB1 ALA A 16 28.266 -14.103 47.322 1.00 0.00 H new ATOM 0 HB2 ALA A 16 28.767 -12.836 48.467 1.00 0.00 H new ATOM 0 HB3 ALA A 16 27.390 -13.894 48.857 1.00 0.00 H new ATOM 147 N SER A 17 24.933 -13.655 47.664 1.00 0.00 N ATOM 148 CA SER A 17 23.762 -14.425 47.255 1.00 0.00 C ATOM 149 C SER A 17 22.916 -13.627 46.278 1.00 0.00 C ATOM 150 O SER A 17 22.611 -14.093 45.182 1.00 0.00 O ATOM 151 CB SER A 17 22.899 -14.774 48.469 1.00 0.00 C ATOM 152 OG SER A 17 23.582 -15.654 49.345 1.00 0.00 O ATOM 0 H SER A 17 25.015 -13.526 48.672 1.00 0.00 H new ATOM 0 HA SER A 17 24.116 -15.339 46.778 1.00 0.00 H new ATOM 0 HB2 SER A 17 22.630 -13.862 49.002 1.00 0.00 H new ATOM 0 HB3 SER A 17 21.969 -15.236 48.137 1.00 0.00 H new ATOM 0 HG SER A 17 24.253 -15.153 49.855 1.00 0.00 H new ATOM 158 N ALA A 18 22.544 -12.419 46.691 1.00 0.00 N ATOM 159 CA ALA A 18 21.730 -11.529 45.870 1.00 0.00 C ATOM 160 C ALA A 18 22.531 -11.017 44.684 1.00 0.00 C ATOM 161 O ALA A 18 21.978 -10.740 43.622 1.00 0.00 O ATOM 162 CB ALA A 18 21.262 -10.334 46.687 1.00 0.00 C ATOM 0 H ALA A 18 22.797 -12.031 47.600 1.00 0.00 H new ATOM 0 HA ALA A 18 20.869 -12.096 45.516 1.00 0.00 H new ATOM 0 HB1 ALA A 18 20.656 -9.680 46.060 1.00 0.00 H new ATOM 0 HB2 ALA A 18 20.667 -10.681 47.531 1.00 0.00 H new ATOM 0 HB3 ALA A 18 22.128 -9.784 47.056 1.00 0.00 H new ATOM 168 N THR A 19 23.840 -10.897 44.883 1.00 0.00 N ATOM 169 CA THR A 19 24.747 -10.419 43.844 1.00 0.00 C ATOM 170 C THR A 19 24.965 -11.496 42.792 1.00 0.00 C ATOM 171 O THR A 19 24.801 -11.254 41.598 1.00 0.00 O ATOM 172 CB THR A 19 26.121 -10.039 44.426 1.00 0.00 C ATOM 173 OG1 THR A 19 25.966 -8.974 45.371 1.00 0.00 O ATOM 174 CG2 THR A 19 27.060 -9.582 43.319 1.00 0.00 C ATOM 0 H THR A 19 24.300 -11.127 45.764 1.00 0.00 H new ATOM 0 HA THR A 19 24.284 -9.538 43.399 1.00 0.00 H new ATOM 0 HB THR A 19 26.543 -10.916 44.916 1.00 0.00 H new ATOM 0 HG1 THR A 19 25.696 -9.343 46.238 1.00 0.00 H new ATOM 0 HG21 THR A 19 28.026 -9.317 43.748 1.00 0.00 H new ATOM 0 HG22 THR A 19 27.192 -10.388 42.598 1.00 0.00 H new ATOM 0 HG23 THR A 19 26.635 -8.712 42.817 1.00 0.00 H new ATOM 182 N GLU A 20 25.337 -12.686 43.256 1.00 0.00 N ATOM 183 CA GLU A 20 25.586 -13.823 42.375 1.00 0.00 C ATOM 184 C GLU A 20 24.320 -14.205 41.627 1.00 0.00 C ATOM 185 O GLU A 20 24.355 -14.494 40.434 1.00 0.00 O ATOM 186 CB GLU A 20 26.054 -15.035 43.183 1.00 0.00 C ATOM 187 CG GLU A 20 27.442 -14.882 43.784 1.00 0.00 C ATOM 188 CD GLU A 20 27.849 -16.079 44.620 1.00 0.00 C ATOM 189 OE1 GLU A 20 27.026 -17.005 44.773 1.00 0.00 O ATOM 190 OE2 GLU A 20 28.992 -16.090 45.124 1.00 0.00 O ATOM 0 H GLU A 20 25.474 -12.889 44.246 1.00 0.00 H new ATOM 0 HA GLU A 20 26.360 -13.529 41.666 1.00 0.00 H new ATOM 0 HB2 GLU A 20 25.341 -15.220 43.986 1.00 0.00 H new ATOM 0 HB3 GLU A 20 26.044 -15.914 42.538 1.00 0.00 H new ATOM 0 HG2 GLU A 20 28.167 -14.739 42.983 1.00 0.00 H new ATOM 0 HG3 GLU A 20 27.469 -13.985 44.403 1.00 0.00 H new ATOM 198 N MET A 21 23.203 -14.199 42.349 1.00 0.00 N ATOM 199 CA MET A 21 21.903 -14.542 41.777 1.00 0.00 C ATOM 200 C MET A 21 21.501 -13.525 40.721 1.00 0.00 C ATOM 201 O MET A 21 20.919 -13.878 39.697 1.00 0.00 O ATOM 202 CB MET A 21 20.827 -14.561 42.865 1.00 0.00 C ATOM 203 CG MET A 21 19.455 -14.991 42.373 1.00 0.00 C ATOM 204 SD MET A 21 18.224 -15.030 43.690 1.00 0.00 S ATOM 205 CE MET A 21 18.014 -13.280 44.009 1.00 0.00 C ATOM 0 H MET A 21 23.172 -13.958 43.340 1.00 0.00 H new ATOM 0 HA MET A 21 21.989 -15.530 41.325 1.00 0.00 H new ATOM 0 HB2 MET A 21 21.143 -15.234 43.662 1.00 0.00 H new ATOM 0 HB3 MET A 21 20.749 -13.565 43.301 1.00 0.00 H new ATOM 0 HG2 MET A 21 19.123 -14.308 41.591 1.00 0.00 H new ATOM 0 HG3 MET A 21 19.529 -15.980 41.921 1.00 0.00 H new ATOM 0 HE1 MET A 21 17.129 -13.126 44.627 1.00 0.00 H new ATOM 0 HE2 MET A 21 18.891 -12.897 44.531 1.00 0.00 H new ATOM 0 HE3 MET A 21 17.894 -12.750 43.064 1.00 0.00 H new ATOM 215 N ILE A 22 21.820 -12.263 40.988 1.00 0.00 N ATOM 216 CA ILE A 22 21.503 -11.168 40.075 1.00 0.00 C ATOM 217 C ILE A 22 22.125 -11.417 38.711 1.00 0.00 C ATOM 218 O ILE A 22 21.573 -11.026 37.685 1.00 0.00 O ATOM 219 CB ILE A 22 22.036 -9.822 40.601 1.00 0.00 C ATOM 220 CG1 ILE A 22 21.396 -8.660 39.838 1.00 0.00 C ATOM 221 CG2 ILE A 22 23.545 -9.742 40.424 1.00 0.00 C ATOM 222 CD1 ILE A 22 21.627 -7.309 40.479 1.00 0.00 C ATOM 0 H ILE A 22 22.303 -11.970 41.838 1.00 0.00 H new ATOM 0 HA ILE A 22 20.417 -11.124 39.998 1.00 0.00 H new ATOM 0 HB ILE A 22 21.784 -9.753 41.659 1.00 0.00 H new ATOM 0 HG12 ILE A 22 21.791 -8.643 38.822 1.00 0.00 H new ATOM 0 HG13 ILE A 22 20.323 -8.836 39.759 1.00 0.00 H new ATOM 0 HG21 ILE A 22 23.905 -8.785 40.801 1.00 0.00 H new ATOM 0 HG22 ILE A 22 24.020 -10.552 40.978 1.00 0.00 H new ATOM 0 HG23 ILE A 22 23.793 -9.832 39.366 1.00 0.00 H new ATOM 0 HD11 ILE A 22 21.144 -6.536 39.882 1.00 0.00 H new ATOM 0 HD12 ILE A 22 21.206 -7.307 41.485 1.00 0.00 H new ATOM 0 HD13 ILE A 22 22.697 -7.110 40.533 1.00 0.00 H new ATOM 234 N GLY A 23 23.282 -12.074 38.717 1.00 0.00 N ATOM 235 CA GLY A 23 24.007 -12.389 37.490 1.00 0.00 C ATOM 236 C GLY A 23 23.284 -13.477 36.711 1.00 0.00 C ATOM 237 O GLY A 23 23.313 -13.499 35.483 1.00 0.00 O ATOM 0 H GLY A 23 23.741 -12.401 39.567 1.00 0.00 H new ATOM 0 HA2 GLY A 23 24.100 -11.494 36.875 1.00 0.00 H new ATOM 0 HA3 GLY A 23 25.018 -12.717 37.732 1.00 0.00 H new ATOM 241 N TYR A 24 22.639 -14.377 37.446 1.00 0.00 N ATOM 242 CA TYR A 24 21.898 -15.485 36.850 1.00 0.00 C ATOM 243 C TYR A 24 20.712 -14.965 36.054 1.00 0.00 C ATOM 244 O TYR A 24 20.477 -15.388 34.924 1.00 0.00 O ATOM 245 CB TYR A 24 21.375 -16.426 37.937 1.00 0.00 C ATOM 246 CG TYR A 24 22.444 -17.298 38.558 1.00 0.00 C ATOM 247 CD1 TYR A 24 22.857 -18.469 37.934 1.00 0.00 C ATOM 248 CD2 TYR A 24 23.035 -16.948 39.764 1.00 0.00 C ATOM 249 CE1 TYR A 24 23.832 -19.272 38.494 1.00 0.00 C ATOM 250 CE2 TYR A 24 24.012 -17.739 40.339 1.00 0.00 C ATOM 251 CZ TYR A 24 24.410 -18.897 39.706 1.00 0.00 C ATOM 252 OH TYR A 24 25.382 -19.686 40.276 1.00 0.00 O ATOM 0 H TYR A 24 22.614 -14.360 38.466 1.00 0.00 H new ATOM 0 HA TYR A 24 22.579 -16.023 36.191 1.00 0.00 H new ATOM 0 HB2 TYR A 24 20.903 -15.833 38.720 1.00 0.00 H new ATOM 0 HB3 TYR A 24 20.602 -17.064 37.510 1.00 0.00 H new ATOM 0 HD1 TYR A 24 22.408 -18.756 36.995 1.00 0.00 H new ATOM 0 HD2 TYR A 24 22.726 -16.041 40.262 1.00 0.00 H new ATOM 0 HE1 TYR A 24 24.143 -20.180 37.998 1.00 0.00 H new ATOM 0 HE2 TYR A 24 24.461 -17.451 41.278 1.00 0.00 H new ATOM 0 HH TYR A 24 25.680 -19.281 41.117 1.00 0.00 H new ATOM 262 N ALA A 25 19.973 -14.040 36.660 1.00 0.00 N ATOM 263 CA ALA A 25 18.801 -13.439 36.029 1.00 0.00 C ATOM 264 C ALA A 25 19.191 -12.742 34.737 1.00 0.00 C ATOM 265 O ALA A 25 18.564 -12.941 33.699 1.00 0.00 O ATOM 266 CB ALA A 25 18.166 -12.414 36.957 1.00 0.00 C ATOM 0 H ALA A 25 20.168 -13.687 37.597 1.00 0.00 H new ATOM 0 HA ALA A 25 18.090 -14.238 35.817 1.00 0.00 H new ATOM 0 HB1 ALA A 25 17.294 -11.975 36.472 1.00 0.00 H new ATOM 0 HB2 ALA A 25 17.860 -12.902 37.882 1.00 0.00 H new ATOM 0 HB3 ALA A 25 18.889 -11.630 37.182 1.00 0.00 H new ATOM 272 N TRP A 26 20.236 -11.922 34.820 1.00 0.00 N ATOM 273 CA TRP A 26 20.735 -11.177 33.668 1.00 0.00 C ATOM 274 C TRP A 26 21.219 -12.130 32.587 1.00 0.00 C ATOM 275 O TRP A 26 20.950 -11.931 31.404 1.00 0.00 O ATOM 276 CB TRP A 26 21.902 -10.277 34.077 1.00 0.00 C ATOM 277 CG TRP A 26 22.463 -9.471 32.946 1.00 0.00 C ATOM 278 CD1 TRP A 26 23.631 -9.698 32.277 1.00 0.00 C ATOM 279 CD2 TRP A 26 21.879 -8.306 32.349 1.00 0.00 C ATOM 280 NE1 TRP A 26 23.812 -8.749 31.301 1.00 0.00 N ATOM 281 CE2 TRP A 26 22.749 -7.881 31.325 1.00 0.00 C ATOM 282 CE3 TRP A 26 20.706 -7.581 32.580 1.00 0.00 C ATOM 283 CZ2 TRP A 26 22.483 -6.765 30.534 1.00 0.00 C ATOM 284 CZ3 TRP A 26 20.447 -6.474 31.794 1.00 0.00 C ATOM 285 CH2 TRP A 26 21.328 -6.075 30.784 1.00 0.00 C ATOM 0 H TRP A 26 20.757 -11.756 35.681 1.00 0.00 H new ATOM 0 HA TRP A 26 19.915 -10.569 33.285 1.00 0.00 H new ATOM 0 HB2 TRP A 26 21.569 -9.600 34.864 1.00 0.00 H new ATOM 0 HB3 TRP A 26 22.695 -10.894 34.501 1.00 0.00 H new ATOM 0 HD1 TRP A 26 24.315 -10.508 32.485 1.00 0.00 H new ATOM 0 HE1 TRP A 26 24.606 -8.698 30.663 1.00 0.00 H new ATOM 0 HE3 TRP A 26 20.017 -7.880 33.356 1.00 0.00 H new ATOM 0 HZ2 TRP A 26 23.163 -6.456 29.753 1.00 0.00 H new ATOM 0 HZ3 TRP A 26 19.545 -5.905 31.964 1.00 0.00 H new ATOM 0 HH2 TRP A 26 21.092 -5.205 30.189 1.00 0.00 H new ATOM 296 N ALA A 27 21.935 -13.166 33.012 1.00 0.00 N ATOM 297 CA ALA A 27 22.473 -14.170 32.099 1.00 0.00 C ATOM 298 C ALA A 27 21.345 -14.968 31.463 1.00 0.00 C ATOM 299 O ALA A 27 21.334 -15.190 30.255 1.00 0.00 O ATOM 300 CB ALA A 27 23.384 -15.132 32.846 1.00 0.00 C ATOM 0 H ALA A 27 22.158 -13.333 33.993 1.00 0.00 H new ATOM 0 HA ALA A 27 23.039 -13.650 31.326 1.00 0.00 H new ATOM 0 HB1 ALA A 27 23.777 -15.874 32.151 1.00 0.00 H new ATOM 0 HB2 ALA A 27 24.211 -14.579 33.292 1.00 0.00 H new ATOM 0 HB3 ALA A 27 22.818 -15.633 33.631 1.00 0.00 H new ATOM 306 N MET A 28 20.402 -15.397 32.297 1.00 0.00 N ATOM 307 CA MET A 28 19.253 -16.174 31.843 1.00 0.00 C ATOM 308 C MET A 28 18.324 -15.313 31.003 1.00 0.00 C ATOM 309 O MET A 28 17.927 -15.697 29.906 1.00 0.00 O ATOM 310 CB MET A 28 18.463 -16.711 33.038 1.00 0.00 C ATOM 311 CG MET A 28 17.279 -17.585 32.658 1.00 0.00 C ATOM 312 SD MET A 28 16.396 -18.223 34.094 1.00 0.00 S ATOM 313 CE MET A 28 15.620 -16.729 34.706 1.00 0.00 C ATOM 0 H MET A 28 20.412 -15.217 33.301 1.00 0.00 H new ATOM 0 HA MET A 28 19.630 -17.003 31.245 1.00 0.00 H new ATOM 0 HB2 MET A 28 19.135 -17.286 33.675 1.00 0.00 H new ATOM 0 HB3 MET A 28 18.104 -15.869 33.630 1.00 0.00 H new ATOM 0 HG2 MET A 28 16.591 -17.008 32.040 1.00 0.00 H new ATOM 0 HG3 MET A 28 17.629 -18.420 32.051 1.00 0.00 H new ATOM 0 HE1 MET A 28 14.849 -16.990 35.431 1.00 0.00 H new ATOM 0 HE2 MET A 28 16.370 -16.099 35.184 1.00 0.00 H new ATOM 0 HE3 MET A 28 15.168 -16.187 33.875 1.00 0.00 H new ATOM 323 N VAL A 29 17.987 -14.141 31.538 1.00 0.00 N ATOM 324 CA VAL A 29 17.103 -13.199 30.858 1.00 0.00 C ATOM 325 C VAL A 29 17.738 -12.712 29.566 1.00 0.00 C ATOM 326 O VAL A 29 17.106 -12.716 28.512 1.00 0.00 O ATOM 327 CB VAL A 29 16.809 -11.968 31.735 1.00 0.00 C ATOM 328 CG1 VAL A 29 16.061 -10.911 30.936 1.00 0.00 C ATOM 329 CG2 VAL A 29 15.955 -12.358 32.932 1.00 0.00 C ATOM 0 H VAL A 29 18.317 -13.820 32.448 1.00 0.00 H new ATOM 0 HA VAL A 29 16.173 -13.729 30.651 1.00 0.00 H new ATOM 0 HB VAL A 29 17.764 -11.568 32.076 1.00 0.00 H new ATOM 0 HG11 VAL A 29 15.861 -10.048 31.571 1.00 0.00 H new ATOM 0 HG12 VAL A 29 16.667 -10.602 30.084 1.00 0.00 H new ATOM 0 HG13 VAL A 29 15.118 -11.325 30.579 1.00 0.00 H new ATOM 0 HG21 VAL A 29 15.757 -11.476 33.541 1.00 0.00 H new ATOM 0 HG22 VAL A 29 15.011 -12.778 32.584 1.00 0.00 H new ATOM 0 HG23 VAL A 29 16.484 -13.100 33.530 1.00 0.00 H new ATOM 339 N VAL A 30 18.995 -12.291 29.666 1.00 0.00 N ATOM 340 CA VAL A 30 19.745 -11.791 28.518 1.00 0.00 C ATOM 341 C VAL A 30 19.791 -12.839 27.416 1.00 0.00 C ATOM 342 O VAL A 30 19.634 -12.523 26.239 1.00 0.00 O ATOM 343 CB VAL A 30 21.195 -11.441 28.900 1.00 0.00 C ATOM 344 CG1 VAL A 30 22.012 -11.124 27.657 1.00 0.00 C ATOM 345 CG2 VAL A 30 21.226 -10.228 29.818 1.00 0.00 C ATOM 0 H VAL A 30 19.521 -12.286 30.540 1.00 0.00 H new ATOM 0 HA VAL A 30 19.233 -10.893 28.171 1.00 0.00 H new ATOM 0 HB VAL A 30 21.621 -12.304 29.412 1.00 0.00 H new ATOM 0 HG11 VAL A 30 23.034 -10.879 27.946 1.00 0.00 H new ATOM 0 HG12 VAL A 30 22.020 -11.991 26.996 1.00 0.00 H new ATOM 0 HG13 VAL A 30 21.569 -10.275 27.137 1.00 0.00 H new ATOM 0 HG21 VAL A 30 22.259 -9.995 30.078 1.00 0.00 H new ATOM 0 HG22 VAL A 30 20.778 -9.375 29.309 1.00 0.00 H new ATOM 0 HG23 VAL A 30 20.663 -10.444 30.726 1.00 0.00 H new ATOM 355 N VAL A 31 20.010 -14.087 27.820 1.00 0.00 N ATOM 356 CA VAL A 31 20.083 -15.207 26.886 1.00 0.00 C ATOM 357 C VAL A 31 18.699 -15.560 26.367 1.00 0.00 C ATOM 358 O VAL A 31 18.499 -15.729 25.167 1.00 0.00 O ATOM 359 CB VAL A 31 20.671 -16.463 27.556 1.00 0.00 C ATOM 360 CG1 VAL A 31 20.567 -17.661 26.625 1.00 0.00 C ATOM 361 CG2 VAL A 31 22.137 -16.247 27.899 1.00 0.00 C ATOM 0 H VAL A 31 20.141 -14.350 28.797 1.00 0.00 H new ATOM 0 HA VAL A 31 20.730 -14.893 26.067 1.00 0.00 H new ATOM 0 HB VAL A 31 20.102 -16.651 28.466 1.00 0.00 H new ATOM 0 HG11 VAL A 31 20.987 -18.540 27.114 1.00 0.00 H new ATOM 0 HG12 VAL A 31 19.520 -17.845 26.385 1.00 0.00 H new ATOM 0 HG13 VAL A 31 21.119 -17.458 25.708 1.00 0.00 H new ATOM 0 HG21 VAL A 31 22.536 -17.144 28.372 1.00 0.00 H new ATOM 0 HG22 VAL A 31 22.697 -16.037 26.988 1.00 0.00 H new ATOM 0 HG23 VAL A 31 22.230 -15.404 28.584 1.00 0.00 H new ATOM 371 N ILE A 32 17.748 -15.667 27.292 1.00 0.00 N ATOM 372 CA ILE A 32 16.368 -15.998 26.957 1.00 0.00 C ATOM 373 C ILE A 32 15.766 -14.933 26.055 1.00 0.00 C ATOM 374 O ILE A 32 15.213 -15.236 25.001 1.00 0.00 O ATOM 375 CB ILE A 32 15.490 -16.100 28.218 1.00 0.00 C ATOM 376 CG1 ILE A 32 15.910 -17.302 29.065 1.00 0.00 C ATOM 377 CG2 ILE A 32 14.027 -16.267 27.836 1.00 0.00 C ATOM 378 CD1 ILE A 32 15.271 -17.337 30.436 1.00 0.00 C ATOM 0 H ILE A 32 17.912 -15.527 28.289 1.00 0.00 H new ATOM 0 HA ILE A 32 16.390 -16.962 26.448 1.00 0.00 H new ATOM 0 HB ILE A 32 15.620 -15.181 28.790 1.00 0.00 H new ATOM 0 HG12 ILE A 32 15.654 -18.217 28.532 1.00 0.00 H new ATOM 0 HG13 ILE A 32 16.994 -17.293 29.180 1.00 0.00 H new ATOM 0 HG21 ILE A 32 13.421 -16.337 28.739 1.00 0.00 H new ATOM 0 HG22 ILE A 32 13.704 -15.408 27.248 1.00 0.00 H new ATOM 0 HG23 ILE A 32 13.906 -17.176 27.246 1.00 0.00 H new ATOM 0 HD11 ILE A 32 15.618 -18.218 30.977 1.00 0.00 H new ATOM 0 HD12 ILE A 32 15.548 -16.440 30.989 1.00 0.00 H new ATOM 0 HD13 ILE A 32 14.187 -17.379 30.331 1.00 0.00 H new ATOM 390 N VAL A 33 15.887 -13.680 26.487 1.00 0.00 N ATOM 391 CA VAL A 33 15.365 -12.542 25.737 1.00 0.00 C ATOM 392 C VAL A 33 16.248 -12.246 24.535 1.00 0.00 C ATOM 393 O VAL A 33 15.760 -12.072 23.421 1.00 0.00 O ATOM 394 CB VAL A 33 15.307 -11.272 26.606 1.00 0.00 C ATOM 395 CG1 VAL A 33 14.938 -10.064 25.759 1.00 0.00 C ATOM 396 CG2 VAL A 33 14.267 -11.425 27.705 1.00 0.00 C ATOM 0 H VAL A 33 16.347 -13.426 27.361 1.00 0.00 H new ATOM 0 HA VAL A 33 14.359 -12.810 25.416 1.00 0.00 H new ATOM 0 HB VAL A 33 16.293 -11.127 27.048 1.00 0.00 H new ATOM 0 HG11 VAL A 33 14.902 -9.175 26.389 1.00 0.00 H new ATOM 0 HG12 VAL A 33 15.686 -9.925 24.978 1.00 0.00 H new ATOM 0 HG13 VAL A 33 13.962 -10.225 25.302 1.00 0.00 H new ATOM 0 HG21 VAL A 33 14.240 -10.518 28.309 1.00 0.00 H new ATOM 0 HG22 VAL A 33 13.287 -11.593 27.258 1.00 0.00 H new ATOM 0 HG23 VAL A 33 14.528 -12.274 28.337 1.00 0.00 H new ATOM 406 N GLY A 34 17.553 -12.189 24.782 1.00 0.00 N ATOM 407 CA GLY A 34 18.534 -11.915 23.735 1.00 0.00 C ATOM 408 C GLY A 34 18.720 -13.134 22.847 1.00 0.00 C ATOM 409 O GLY A 34 18.612 -13.047 21.626 1.00 0.00 O ATOM 0 H GLY A 34 17.959 -12.330 25.707 1.00 0.00 H new ATOM 0 HA2 GLY A 34 18.206 -11.067 23.134 1.00 0.00 H new ATOM 0 HA3 GLY A 34 19.487 -11.637 24.185 1.00 0.00 H new ATOM 413 N ALA A 35 19.000 -14.269 23.480 1.00 0.00 N ATOM 414 CA ALA A 35 19.207 -15.527 22.770 1.00 0.00 C ATOM 415 C ALA A 35 17.893 -16.042 22.203 1.00 0.00 C ATOM 416 O ALA A 35 17.780 -16.301 21.007 1.00 0.00 O ATOM 417 CB ALA A 35 19.771 -16.580 23.711 1.00 0.00 C ATOM 0 H ALA A 35 19.089 -14.343 24.493 1.00 0.00 H new ATOM 0 HA ALA A 35 19.910 -15.340 21.959 1.00 0.00 H new ATOM 0 HB1 ALA A 35 19.920 -17.512 23.166 1.00 0.00 H new ATOM 0 HB2 ALA A 35 20.725 -16.237 24.111 1.00 0.00 H new ATOM 0 HB3 ALA A 35 19.073 -16.746 24.531 1.00 0.00 H new ATOM 423 N THR A 36 16.904 -16.186 23.082 1.00 0.00 N ATOM 424 CA THR A 36 15.581 -16.669 22.697 1.00 0.00 C ATOM 425 C THR A 36 14.921 -15.699 21.734 1.00 0.00 C ATOM 426 O THR A 36 14.508 -16.077 20.640 1.00 0.00 O ATOM 427 CB THR A 36 14.658 -16.823 23.920 1.00 0.00 C ATOM 428 OG1 THR A 36 15.223 -17.775 24.831 1.00 0.00 O ATOM 429 CG2 THR A 36 13.282 -17.308 23.492 1.00 0.00 C ATOM 0 H THR A 36 16.996 -15.973 24.075 1.00 0.00 H new ATOM 0 HA THR A 36 15.724 -17.641 22.224 1.00 0.00 H new ATOM 0 HB THR A 36 14.561 -15.851 24.404 1.00 0.00 H new ATOM 0 HG1 THR A 36 14.504 -18.227 25.319 1.00 0.00 H new ATOM 0 HG21 THR A 36 12.643 -17.411 24.369 1.00 0.00 H new ATOM 0 HG22 THR A 36 12.840 -16.587 22.804 1.00 0.00 H new ATOM 0 HG23 THR A 36 13.375 -18.274 22.995 1.00 0.00 H new ATOM 437 N ILE A 37 14.827 -14.441 22.158 1.00 0.00 N ATOM 438 CA ILE A 37 14.217 -13.388 21.351 1.00 0.00 C ATOM 439 C ILE A 37 15.142 -12.989 20.212 1.00 0.00 C ATOM 440 O ILE A 37 14.691 -12.699 19.105 1.00 0.00 O ATOM 441 CB ILE A 37 13.928 -12.130 22.190 1.00 0.00 C ATOM 442 CG1 ILE A 37 12.843 -12.419 23.230 1.00 0.00 C ATOM 443 CG2 ILE A 37 13.450 -10.993 21.299 1.00 0.00 C ATOM 444 CD1 ILE A 37 12.670 -11.320 24.255 1.00 0.00 C ATOM 0 H ILE A 37 15.169 -14.124 23.065 1.00 0.00 H new ATOM 0 HA ILE A 37 13.281 -13.788 20.962 1.00 0.00 H new ATOM 0 HB ILE A 37 14.853 -11.843 22.690 1.00 0.00 H new ATOM 0 HG12 ILE A 37 11.894 -12.577 22.717 1.00 0.00 H new ATOM 0 HG13 ILE A 37 13.085 -13.348 23.745 1.00 0.00 H new ATOM 0 HG21 ILE A 37 13.251 -10.112 21.909 1.00 0.00 H new ATOM 0 HG22 ILE A 37 14.220 -10.759 20.564 1.00 0.00 H new ATOM 0 HG23 ILE A 37 12.537 -11.293 20.785 1.00 0.00 H new ATOM 0 HD11 ILE A 37 11.884 -11.598 24.957 1.00 0.00 H new ATOM 0 HD12 ILE A 37 13.605 -11.176 24.796 1.00 0.00 H new ATOM 0 HD13 ILE A 37 12.396 -10.393 23.752 1.00 0.00 H new ATOM 456 N GLY A 38 16.441 -12.980 20.502 1.00 0.00 N ATOM 457 CA GLY A 38 17.457 -12.619 19.517 1.00 0.00 C ATOM 458 C GLY A 38 17.534 -13.669 18.422 1.00 0.00 C ATOM 459 O GLY A 38 17.551 -13.346 17.236 1.00 0.00 O ATOM 0 H GLY A 38 16.817 -13.221 21.419 1.00 0.00 H new ATOM 0 HA2 GLY A 38 17.221 -11.648 19.082 1.00 0.00 H new ATOM 0 HA3 GLY A 38 18.427 -12.522 20.005 1.00 0.00 H new ATOM 463 N ILE A 39 17.580 -14.932 18.839 1.00 0.00 N ATOM 464 CA ILE A 39 17.656 -16.056 17.913 1.00 0.00 C ATOM 465 C ILE A 39 16.458 -16.059 16.976 1.00 0.00 C ATOM 466 O ILE A 39 16.596 -16.288 15.777 1.00 0.00 O ATOM 467 CB ILE A 39 17.674 -17.403 18.660 1.00 0.00 C ATOM 468 CG1 ILE A 39 18.975 -17.555 19.452 1.00 0.00 C ATOM 469 CG2 ILE A 39 17.570 -18.559 17.677 1.00 0.00 C ATOM 470 CD1 ILE A 39 20.219 -17.532 18.592 1.00 0.00 C ATOM 0 H ILE A 39 17.566 -15.203 19.822 1.00 0.00 H new ATOM 0 HA ILE A 39 18.582 -15.938 17.350 1.00 0.00 H new ATOM 0 HB ILE A 39 16.822 -17.420 19.339 1.00 0.00 H new ATOM 0 HG12 ILE A 39 19.038 -16.753 20.187 1.00 0.00 H new ATOM 0 HG13 ILE A 39 18.945 -18.493 20.006 1.00 0.00 H new ATOM 0 HG21 ILE A 39 17.584 -19.503 18.222 1.00 0.00 H new ATOM 0 HG22 ILE A 39 16.638 -18.478 17.117 1.00 0.00 H new ATOM 0 HG23 ILE A 39 18.413 -18.526 16.986 1.00 0.00 H new ATOM 0 HD11 ILE A 39 21.100 -17.645 19.224 1.00 0.00 H new ATOM 0 HD12 ILE A 39 20.180 -18.351 17.874 1.00 0.00 H new ATOM 0 HD13 ILE A 39 20.275 -16.583 18.058 1.00 0.00 H new ATOM 482 N LYS A 40 15.285 -15.797 17.545 1.00 0.00 N ATOM 483 CA LYS A 40 14.040 -15.761 16.782 1.00 0.00 C ATOM 484 C LYS A 40 14.143 -14.761 15.643 1.00 0.00 C ATOM 485 O LYS A 40 13.752 -15.049 14.514 1.00 0.00 O ATOM 486 CB LYS A 40 12.872 -15.351 17.681 1.00 0.00 C ATOM 487 CG LYS A 40 11.524 -15.336 16.980 1.00 0.00 C ATOM 488 CD LYS A 40 10.404 -14.976 17.942 1.00 0.00 C ATOM 489 CE LYS A 40 9.058 -14.947 17.237 1.00 0.00 C ATOM 490 NZ LYS A 40 7.949 -14.607 18.171 1.00 0.00 N ATOM 0 H LYS A 40 15.170 -15.605 18.540 1.00 0.00 H new ATOM 0 HA LYS A 40 13.866 -16.760 16.383 1.00 0.00 H new ATOM 0 HB2 LYS A 40 12.821 -16.036 18.527 1.00 0.00 H new ATOM 0 HB3 LYS A 40 13.070 -14.358 18.085 1.00 0.00 H new ATOM 0 HG2 LYS A 40 11.546 -14.618 16.160 1.00 0.00 H new ATOM 0 HG3 LYS A 40 11.329 -16.315 16.542 1.00 0.00 H new ATOM 0 HD2 LYS A 40 10.375 -15.700 18.756 1.00 0.00 H new ATOM 0 HD3 LYS A 40 10.604 -14.002 18.388 1.00 0.00 H new ATOM 0 HE2 LYS A 40 9.088 -14.217 16.428 1.00 0.00 H new ATOM 0 HE3 LYS A 40 8.865 -15.919 16.783 1.00 0.00 H new ATOM 0 HZ1 LYS A 40 7.048 -14.598 17.651 1.00 0.00 H new ATOM 0 HZ2 LYS A 40 7.904 -15.317 18.929 1.00 0.00 H new ATOM 0 HZ3 LYS A 40 8.120 -13.668 18.585 1.00 0.00 H new ATOM 504 N LEU A 41 14.674 -13.582 15.958 1.00 0.00 N ATOM 505 CA LEU A 41 14.841 -12.515 14.978 1.00 0.00 C ATOM 506 C LEU A 41 15.633 -13.012 13.780 1.00 0.00 C ATOM 507 O LEU A 41 15.400 -12.588 12.650 1.00 0.00 O ATOM 508 CB LEU A 41 15.590 -11.332 15.596 1.00 0.00 C ATOM 509 CG LEU A 41 15.695 -10.072 14.734 1.00 0.00 C ATOM 510 CD1 LEU A 41 14.317 -9.492 14.460 1.00 0.00 C ATOM 511 CD2 LEU A 41 16.528 -9.010 15.436 1.00 0.00 C ATOM 0 H LEU A 41 14.999 -13.341 16.895 1.00 0.00 H new ATOM 0 HA LEU A 41 13.848 -12.198 14.659 1.00 0.00 H new ATOM 0 HB2 LEU A 41 15.098 -11.067 16.532 1.00 0.00 H new ATOM 0 HB3 LEU A 41 16.599 -11.659 15.848 1.00 0.00 H new ATOM 0 HG LEU A 41 16.170 -10.357 13.795 1.00 0.00 H new ATOM 0 HD11 LEU A 41 14.415 -8.597 13.846 1.00 0.00 H new ATOM 0 HD12 LEU A 41 13.710 -10.229 13.934 1.00 0.00 H new ATOM 0 HD13 LEU A 41 13.837 -9.234 15.404 1.00 0.00 H new ATOM 0 HD21 LEU A 41 16.591 -8.122 14.807 1.00 0.00 H new ATOM 0 HD22 LEU A 41 16.060 -8.750 16.386 1.00 0.00 H new ATOM 0 HD23 LEU A 41 17.531 -9.396 15.619 1.00 0.00 H new ATOM 523 N PHE A 42 16.573 -13.915 14.046 1.00 0.00 N ATOM 524 CA PHE A 42 17.419 -14.491 13.005 1.00 0.00 C ATOM 525 C PHE A 42 16.575 -15.245 11.991 1.00 0.00 C ATOM 526 O PHE A 42 16.777 -15.118 10.785 1.00 0.00 O ATOM 527 CB PHE A 42 18.429 -15.465 13.614 1.00 0.00 C ATOM 528 CG PHE A 42 19.553 -14.793 14.349 1.00 0.00 C ATOM 529 CD1 PHE A 42 19.785 -13.437 14.197 1.00 0.00 C ATOM 530 CD2 PHE A 42 20.379 -15.516 15.192 1.00 0.00 C ATOM 531 CE1 PHE A 42 20.819 -12.818 14.873 1.00 0.00 C ATOM 532 CE2 PHE A 42 21.413 -14.897 15.868 1.00 0.00 C ATOM 533 CZ PHE A 42 21.635 -13.554 15.712 1.00 0.00 C ATOM 0 H PHE A 42 16.769 -14.266 14.983 1.00 0.00 H new ATOM 0 HA PHE A 42 17.945 -13.673 12.513 1.00 0.00 H new ATOM 0 HB2 PHE A 42 17.907 -16.133 14.299 1.00 0.00 H new ATOM 0 HB3 PHE A 42 18.846 -16.085 12.820 1.00 0.00 H new ATOM 0 HD1 PHE A 42 19.151 -12.857 13.543 1.00 0.00 H new ATOM 0 HD2 PHE A 42 20.214 -16.575 15.323 1.00 0.00 H new ATOM 0 HE1 PHE A 42 20.990 -11.759 14.746 1.00 0.00 H new ATOM 0 HE2 PHE A 42 22.049 -15.474 16.522 1.00 0.00 H new ATOM 0 HZ PHE A 42 22.444 -13.073 16.242 1.00 0.00 H new ATOM 543 N LYS A 43 15.630 -16.031 12.498 1.00 0.00 N ATOM 544 CA LYS A 43 14.737 -16.820 11.656 1.00 0.00 C ATOM 545 C LYS A 43 13.754 -15.919 10.928 1.00 0.00 C ATOM 546 O LYS A 43 13.498 -16.094 9.740 1.00 0.00 O ATOM 547 CB LYS A 43 13.942 -17.816 12.503 1.00 0.00 C ATOM 548 CG LYS A 43 14.777 -18.951 13.072 1.00 0.00 C ATOM 549 CD LYS A 43 13.924 -19.908 13.889 1.00 0.00 C ATOM 550 CE LYS A 43 14.758 -21.044 14.458 1.00 0.00 C ATOM 551 NZ LYS A 43 13.938 -21.982 15.273 1.00 0.00 N ATOM 0 H LYS A 43 15.462 -16.139 13.498 1.00 0.00 H new ATOM 0 HA LYS A 43 15.352 -17.356 10.933 1.00 0.00 H new ATOM 0 HB2 LYS A 43 13.468 -17.280 13.325 1.00 0.00 H new ATOM 0 HB3 LYS A 43 13.142 -18.237 11.894 1.00 0.00 H new ATOM 0 HG2 LYS A 43 15.259 -19.494 12.259 1.00 0.00 H new ATOM 0 HG3 LYS A 43 15.571 -18.543 13.698 1.00 0.00 H new ATOM 0 HD2 LYS A 43 13.442 -19.365 14.702 1.00 0.00 H new ATOM 0 HD3 LYS A 43 13.130 -20.315 13.263 1.00 0.00 H new ATOM 0 HE2 LYS A 43 15.231 -21.591 13.642 1.00 0.00 H new ATOM 0 HE3 LYS A 43 15.559 -20.633 15.073 1.00 0.00 H new ATOM 0 HZ1 LYS A 43 14.544 -22.742 15.643 1.00 0.00 H new ATOM 0 HZ2 LYS A 43 13.507 -21.466 16.067 1.00 0.00 H new ATOM 0 HZ3 LYS A 43 13.189 -22.394 14.680 1.00 0.00 H new ATOM 565 N LYS A 44 13.210 -14.951 11.662 1.00 0.00 N ATOM 566 CA LYS A 44 12.249 -14.001 11.112 1.00 0.00 C ATOM 567 C LYS A 44 12.950 -12.989 10.221 1.00 0.00 C ATOM 568 O LYS A 44 12.487 -12.685 9.123 1.00 0.00 O ATOM 569 CB LYS A 44 11.540 -13.245 12.237 1.00 0.00 C ATOM 570 CG LYS A 44 10.568 -14.094 13.040 1.00 0.00 C ATOM 571 CD LYS A 44 9.400 -14.555 12.184 1.00 0.00 C ATOM 572 CE LYS A 44 8.405 -15.366 12.999 1.00 0.00 C ATOM 573 NZ LYS A 44 7.273 -15.856 12.165 1.00 0.00 N ATOM 0 H LYS A 44 13.422 -14.804 12.649 1.00 0.00 H new ATOM 0 HA LYS A 44 11.521 -14.565 10.529 1.00 0.00 H new ATOM 0 HB2 LYS A 44 12.290 -12.834 12.913 1.00 0.00 H new ATOM 0 HB3 LYS A 44 11.000 -12.401 11.809 1.00 0.00 H new ATOM 0 HG2 LYS A 44 11.089 -14.961 13.446 1.00 0.00 H new ATOM 0 HG3 LYS A 44 10.196 -13.520 13.888 1.00 0.00 H new ATOM 0 HD2 LYS A 44 8.899 -13.689 11.752 1.00 0.00 H new ATOM 0 HD3 LYS A 44 9.770 -15.157 11.354 1.00 0.00 H new ATOM 0 HE2 LYS A 44 8.915 -16.215 13.454 1.00 0.00 H new ATOM 0 HE3 LYS A 44 8.018 -14.753 13.813 1.00 0.00 H new ATOM 0 HZ1 LYS A 44 6.617 -16.404 12.757 1.00 0.00 H new ATOM 0 HZ2 LYS A 44 6.770 -15.045 11.751 1.00 0.00 H new ATOM 0 HZ3 LYS A 44 7.640 -16.462 11.403 1.00 0.00 H new ATOM 587 N PHE A 45 14.072 -12.472 10.713 1.00 0.00 N ATOM 588 CA PHE A 45 14.863 -11.487 9.981 1.00 0.00 C ATOM 589 C PHE A 45 15.631 -12.153 8.851 1.00 0.00 C ATOM 590 O PHE A 45 15.700 -11.632 7.741 1.00 0.00 O ATOM 591 CB PHE A 45 15.868 -10.807 10.913 1.00 0.00 C ATOM 592 CG PHE A 45 16.696 -9.748 10.243 1.00 0.00 C ATOM 593 CD1 PHE A 45 16.168 -8.494 9.988 1.00 0.00 C ATOM 594 CD2 PHE A 45 18.003 -10.005 9.867 1.00 0.00 C ATOM 595 CE1 PHE A 45 16.929 -7.520 9.372 1.00 0.00 C ATOM 596 CE2 PHE A 45 18.764 -9.031 9.251 1.00 0.00 C ATOM 597 CZ PHE A 45 18.233 -7.792 9.003 1.00 0.00 C ATOM 0 H PHE A 45 14.457 -12.722 11.624 1.00 0.00 H new ATOM 0 HA PHE A 45 14.175 -10.746 9.574 1.00 0.00 H new ATOM 0 HB2 PHE A 45 15.329 -10.359 11.748 1.00 0.00 H new ATOM 0 HB3 PHE A 45 16.532 -11.564 11.331 1.00 0.00 H new ATOM 0 HD1 PHE A 45 15.150 -8.275 10.274 1.00 0.00 H new ATOM 0 HD2 PHE A 45 18.432 -10.978 10.057 1.00 0.00 H new ATOM 0 HE1 PHE A 45 16.505 -6.546 9.179 1.00 0.00 H new ATOM 0 HE2 PHE A 45 19.782 -9.247 8.963 1.00 0.00 H new ATOM 0 HZ PHE A 45 18.831 -7.032 8.522 1.00 0.00 H new ATOM 607 N THR A 46 16.204 -13.315 9.152 1.00 0.00 N ATOM 608 CA THR A 46 16.976 -14.082 8.178 1.00 0.00 C ATOM 609 C THR A 46 16.050 -14.764 7.184 1.00 0.00 C ATOM 610 O THR A 46 16.302 -14.757 5.981 1.00 0.00 O ATOM 611 CB THR A 46 17.823 -15.172 8.861 1.00 0.00 C ATOM 612 OG1 THR A 46 18.760 -14.561 9.757 1.00 0.00 O ATOM 613 CG2 THR A 46 18.588 -15.980 7.824 1.00 0.00 C ATOM 0 H THR A 46 16.147 -13.750 10.073 1.00 0.00 H new ATOM 0 HA THR A 46 17.633 -13.377 7.668 1.00 0.00 H new ATOM 0 HB THR A 46 17.155 -15.835 9.411 1.00 0.00 H new ATOM 0 HG1 THR A 46 18.279 -14.166 10.514 1.00 0.00 H new ATOM 0 HG21 THR A 46 19.181 -16.746 8.324 1.00 0.00 H new ATOM 0 HG22 THR A 46 17.884 -16.455 7.141 1.00 0.00 H new ATOM 0 HG23 THR A 46 19.248 -15.319 7.262 1.00 0.00 H new ATOM 621 N SER A 47 14.978 -15.351 7.705 1.00 0.00 N ATOM 622 CA SER A 47 13.993 -16.050 6.884 1.00 0.00 C ATOM 623 C SER A 47 13.121 -15.051 6.138 1.00 0.00 C ATOM 624 O SER A 47 12.825 -15.231 4.959 1.00 0.00 O ATOM 625 CB SER A 47 13.091 -16.924 7.757 1.00 0.00 C ATOM 626 OG SER A 47 12.122 -17.600 6.974 1.00 0.00 O ATOM 0 H SER A 47 14.767 -15.357 8.703 1.00 0.00 H new ATOM 0 HA SER A 47 14.534 -16.674 6.173 1.00 0.00 H new ATOM 0 HB2 SER A 47 13.697 -17.651 8.298 1.00 0.00 H new ATOM 0 HB3 SER A 47 12.593 -16.306 8.504 1.00 0.00 H new ATOM 0 HG SER A 47 11.559 -18.153 7.555 1.00 0.00 H new ATOM 632 N LYS A 48 12.715 -14.002 6.846 1.00 0.00 N ATOM 633 CA LYS A 48 11.871 -12.956 6.276 1.00 0.00 C ATOM 634 C LYS A 48 12.684 -12.059 5.356 1.00 0.00 C ATOM 635 O LYS A 48 12.218 -11.661 4.290 1.00 0.00 O ATOM 636 CB LYS A 48 11.267 -12.092 7.384 1.00 0.00 C ATOM 637 CG LYS A 48 10.213 -12.801 8.220 1.00 0.00 C ATOM 638 CD LYS A 48 8.989 -13.146 7.387 1.00 0.00 C ATOM 639 CE LYS A 48 7.917 -13.813 8.233 1.00 0.00 C ATOM 640 NZ LYS A 48 6.726 -14.192 7.423 1.00 0.00 N ATOM 0 H LYS A 48 12.959 -13.853 7.825 1.00 0.00 H new ATOM 0 HA LYS A 48 11.075 -13.442 5.711 1.00 0.00 H new ATOM 0 HB2 LYS A 48 12.067 -11.751 8.041 1.00 0.00 H new ATOM 0 HB3 LYS A 48 10.822 -11.204 6.935 1.00 0.00 H new ATOM 0 HG2 LYS A 48 10.635 -13.712 8.645 1.00 0.00 H new ATOM 0 HG3 LYS A 48 9.920 -12.165 9.055 1.00 0.00 H new ATOM 0 HD2 LYS A 48 8.587 -12.240 6.935 1.00 0.00 H new ATOM 0 HD3 LYS A 48 9.277 -13.809 6.571 1.00 0.00 H new ATOM 0 HE2 LYS A 48 8.331 -14.702 8.708 1.00 0.00 H new ATOM 0 HE3 LYS A 48 7.612 -13.137 9.032 1.00 0.00 H new ATOM 0 HZ1 LYS A 48 6.018 -14.644 8.037 1.00 0.00 H new ATOM 0 HZ2 LYS A 48 6.315 -13.340 6.990 1.00 0.00 H new ATOM 0 HZ3 LYS A 48 7.011 -14.857 6.676 1.00 0.00 H new ATOM 654 N ALA A 49 13.904 -11.750 5.785 1.00 0.00 N ATOM 655 CA ALA A 49 14.809 -10.899 5.017 1.00 0.00 C ATOM 0 H ALA A 49 14.292 -12.080 6.669 1.00 0.00 H new TER 658 ALA A 49