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 86:sc= -0.745! USER MOD Single : A 21 MET CE :methyl 166:sc=-0.00681 (180deg=-0.224) USER MOD Single : A 24 TYR OH : rot 180:sc= 0 USER MOD Single : A 28 MET CE :methyl 166:sc=-0.00791 (180deg=-0.238) 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 126:sc= 0.953! 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 -15.662 2.782 46.519 1.00 0.00 C ATOM 2 C PRO A 6 -16.256 1.859 45.468 1.00 0.00 C ATOM 3 O PRO A 6 -15.592 1.493 44.501 1.00 0.00 O ATOM 5 N ALA A 7 -17.516 1.488 45.675 1.00 0.00 N ATOM 6 CA ALA A 7 -18.231 0.604 44.759 1.00 0.00 C ATOM 7 C ALA A 7 -18.537 1.324 43.456 1.00 0.00 C ATOM 8 O ALA A 7 -18.476 0.733 42.380 1.00 0.00 O ATOM 9 CB ALA A 7 -19.543 0.148 45.378 1.00 0.00 C ATOM 0 H ALA A 7 -18.068 1.790 46.478 1.00 0.00 H new ATOM 0 HA ALA A 7 -17.595 -0.259 44.563 1.00 0.00 H new ATOM 0 HB1 ALA A 7 -20.064 -0.510 44.683 1.00 0.00 H new ATOM 0 HB2 ALA A 7 -19.341 -0.390 46.304 1.00 0.00 H new ATOM 0 HB3 ALA A 7 -20.166 1.017 45.591 1.00 0.00 H new ATOM 15 N LYS A 8 -18.871 2.607 43.573 1.00 0.00 N ATOM 16 CA LYS A 8 -19.194 3.437 42.416 1.00 0.00 C ATOM 17 C LYS A 8 -18.102 3.333 41.364 1.00 0.00 C ATOM 18 O LYS A 8 -18.382 3.190 40.176 1.00 0.00 O ATOM 19 CB LYS A 8 -19.328 4.904 42.830 1.00 0.00 C ATOM 20 CG LYS A 8 -19.728 5.834 41.696 1.00 0.00 C ATOM 21 CD LYS A 8 -19.898 7.262 42.188 1.00 0.00 C ATOM 22 CE LYS A 8 -20.284 8.195 41.052 1.00 0.00 C ATOM 23 NZ LYS A 8 -20.465 9.597 41.521 1.00 0.00 N ATOM 0 H LYS A 8 -18.925 3.097 44.466 1.00 0.00 H new ATOM 0 HA LYS A 8 -20.138 3.080 42.005 1.00 0.00 H new ATOM 0 HB2 LYS A 8 -20.069 4.980 43.626 1.00 0.00 H new ATOM 0 HB3 LYS A 8 -18.378 5.242 43.245 1.00 0.00 H new ATOM 0 HG2 LYS A 8 -18.970 5.804 40.914 1.00 0.00 H new ATOM 0 HG3 LYS A 8 -20.660 5.487 41.250 1.00 0.00 H new ATOM 0 HD2 LYS A 8 -20.664 7.293 42.963 1.00 0.00 H new ATOM 0 HD3 LYS A 8 -18.969 7.605 42.644 1.00 0.00 H new ATOM 0 HE2 LYS A 8 -19.514 8.167 40.281 1.00 0.00 H new ATOM 0 HE3 LYS A 8 -21.208 7.844 40.592 1.00 0.00 H new ATOM 0 HZ1 LYS A 8 -20.728 10.201 40.716 1.00 0.00 H new ATOM 0 HZ2 LYS A 8 -21.218 9.629 42.238 1.00 0.00 H new ATOM 0 HZ3 LYS A 8 -19.576 9.941 41.937 1.00 0.00 H new ATOM 37 N ALA A 9 -16.856 3.408 41.820 1.00 0.00 N ATOM 38 CA ALA A 9 -15.696 3.326 40.937 1.00 0.00 C ATOM 39 C ALA A 9 -15.509 1.903 40.436 1.00 0.00 C ATOM 40 O ALA A 9 -15.076 1.684 39.307 1.00 0.00 O ATOM 41 CB ALA A 9 -14.436 3.746 41.677 1.00 0.00 C ATOM 0 H ALA A 9 -16.622 3.527 42.806 1.00 0.00 H new ATOM 0 HA ALA A 9 -15.870 3.994 40.094 1.00 0.00 H new ATOM 0 HB1 ALA A 9 -13.580 3.679 41.005 1.00 0.00 H new ATOM 0 HB2 ALA A 9 -14.544 4.773 42.026 1.00 0.00 H new ATOM 0 HB3 ALA A 9 -14.279 3.087 42.531 1.00 0.00 H new ATOM 47 N ALA A 10 -15.844 0.942 41.292 1.00 0.00 N ATOM 48 CA ALA A 10 -15.723 -0.474 40.962 1.00 0.00 C ATOM 49 C ALA A 10 -16.724 -0.857 39.884 1.00 0.00 C ATOM 50 O ALA A 10 -16.378 -1.523 38.911 1.00 0.00 O ATOM 51 CB ALA A 10 -15.988 -1.329 42.191 1.00 0.00 C ATOM 0 H ALA A 10 -16.205 1.122 42.229 1.00 0.00 H new ATOM 0 HA ALA A 10 -14.709 -0.647 40.602 1.00 0.00 H new ATOM 0 HB1 ALA A 10 -15.894 -2.383 41.928 1.00 0.00 H new ATOM 0 HB2 ALA A 10 -15.265 -1.083 42.968 1.00 0.00 H new ATOM 0 HB3 ALA A 10 -16.996 -1.135 42.559 1.00 0.00 H new ATOM 57 N PHE A 11 -17.967 -0.424 40.073 1.00 0.00 N ATOM 58 CA PHE A 11 -19.044 -0.707 39.129 1.00 0.00 C ATOM 59 C PHE A 11 -18.884 0.134 37.873 1.00 0.00 C ATOM 60 O PHE A 11 -19.063 -0.356 36.759 1.00 0.00 O ATOM 61 CB PHE A 11 -20.403 -0.388 39.755 1.00 0.00 C ATOM 62 CG PHE A 11 -21.570 -0.691 38.859 1.00 0.00 C ATOM 63 CD1 PHE A 11 -22.013 -1.992 38.692 1.00 0.00 C ATOM 64 CD2 PHE A 11 -22.223 0.324 38.182 1.00 0.00 C ATOM 65 CE1 PHE A 11 -23.087 -2.271 37.868 1.00 0.00 C ATOM 66 CE2 PHE A 11 -23.297 0.045 37.358 1.00 0.00 C ATOM 67 CZ PHE A 11 -23.729 -1.246 37.199 1.00 0.00 C ATOM 0 H PHE A 11 -18.255 0.130 40.880 1.00 0.00 H new ATOM 0 HA PHE A 11 -18.994 -1.766 38.875 1.00 0.00 H new ATOM 0 HB2 PHE A 11 -20.509 -0.956 40.679 1.00 0.00 H new ATOM 0 HB3 PHE A 11 -20.429 0.668 40.025 1.00 0.00 H new ATOM 0 HD1 PHE A 11 -21.514 -2.797 39.211 1.00 0.00 H new ATOM 0 HD2 PHE A 11 -21.890 1.345 38.299 1.00 0.00 H new ATOM 0 HE1 PHE A 11 -23.425 -3.290 37.747 1.00 0.00 H new ATOM 0 HE2 PHE A 11 -23.798 0.848 36.837 1.00 0.00 H new ATOM 0 HZ PHE A 11 -24.568 -1.461 36.554 1.00 0.00 H new ATOM 77 N ASP A 12 -18.546 1.403 38.071 1.00 0.00 N ATOM 78 CA ASP A 12 -18.353 2.342 36.968 1.00 0.00 C ATOM 79 C ASP A 12 -17.063 2.035 36.226 1.00 0.00 C ATOM 80 O ASP A 12 -17.000 2.134 35.003 1.00 0.00 O ATOM 81 CB ASP A 12 -18.278 3.777 37.493 1.00 0.00 C ATOM 82 CG ASP A 12 -18.292 4.806 36.380 1.00 0.00 C ATOM 83 OD1 ASP A 12 -19.244 4.793 35.571 1.00 0.00 O ATOM 84 OD2 ASP A 12 -17.352 5.625 36.316 1.00 0.00 O ATOM 0 H ASP A 12 -18.398 1.810 38.995 1.00 0.00 H new ATOM 0 HA ASP A 12 -19.202 2.238 36.292 1.00 0.00 H new ATOM 0 HB2 ASP A 12 -19.119 3.960 38.162 1.00 0.00 H new ATOM 0 HB3 ASP A 12 -17.369 3.897 38.083 1.00 0.00 H new ATOM 90 N SER A 13 -16.037 1.660 36.986 1.00 0.00 N ATOM 91 CA SER A 13 -14.730 1.330 36.427 1.00 0.00 C ATOM 92 C SER A 13 -14.824 0.092 35.549 1.00 0.00 C ATOM 93 O SER A 13 -14.280 0.057 34.447 1.00 0.00 O ATOM 94 CB SER A 13 -13.723 1.055 37.545 1.00 0.00 C ATOM 95 OG SER A 13 -12.448 0.733 37.016 1.00 0.00 O ATOM 0 H SER A 13 -16.088 1.577 38.001 1.00 0.00 H new ATOM 0 HA SER A 13 -14.398 2.181 35.832 1.00 0.00 H new ATOM 0 HB2 SER A 13 -13.642 1.931 38.189 1.00 0.00 H new ATOM 0 HB3 SER A 13 -14.080 0.234 38.166 1.00 0.00 H new ATOM 0 HG SER A 13 -11.822 0.563 37.751 1.00 0.00 H new ATOM 101 N LEU A 14 -15.525 -0.920 36.054 1.00 0.00 N ATOM 102 CA LEU A 14 -15.710 -2.176 35.335 1.00 0.00 C ATOM 103 C LEU A 14 -16.521 -1.953 34.070 1.00 0.00 C ATOM 104 O LEU A 14 -16.154 -2.418 32.994 1.00 0.00 O ATOM 105 CB LEU A 14 -16.450 -3.190 36.210 1.00 0.00 C ATOM 106 CG LEU A 14 -16.696 -4.567 35.590 1.00 0.00 C ATOM 107 CD1 LEU A 14 -15.379 -5.270 35.300 1.00 0.00 C ATOM 108 CD2 LEU A 14 -17.505 -5.444 36.534 1.00 0.00 C ATOM 0 H LEU A 14 -15.978 -0.893 36.967 1.00 0.00 H new ATOM 0 HA LEU A 14 -14.722 -2.559 35.078 1.00 0.00 H new ATOM 0 HB2 LEU A 14 -15.883 -3.326 37.131 1.00 0.00 H new ATOM 0 HB3 LEU A 14 -17.413 -2.763 36.489 1.00 0.00 H new ATOM 0 HG LEU A 14 -17.246 -4.413 34.662 1.00 0.00 H new ATOM 0 HD11 LEU A 14 -15.577 -6.247 34.860 1.00 0.00 H new ATOM 0 HD12 LEU A 14 -14.792 -4.671 34.604 1.00 0.00 H new ATOM 0 HD13 LEU A 14 -14.822 -5.397 36.228 1.00 0.00 H new ATOM 0 HD21 LEU A 14 -17.669 -6.419 36.074 1.00 0.00 H new ATOM 0 HD22 LEU A 14 -16.960 -5.571 37.469 1.00 0.00 H new ATOM 0 HD23 LEU A 14 -18.466 -4.971 36.735 1.00 0.00 H new ATOM 120 N GLN A 15 -17.630 -1.231 34.219 1.00 0.00 N ATOM 121 CA GLN A 15 -18.520 -0.929 33.101 1.00 0.00 C ATOM 122 C GLN A 15 -17.747 -0.267 31.971 1.00 0.00 C ATOM 123 O GLN A 15 -17.960 -0.569 30.799 1.00 0.00 O ATOM 124 CB GLN A 15 -19.636 0.019 33.545 1.00 0.00 C ATOM 125 CG GLN A 15 -20.660 0.322 32.464 1.00 0.00 C ATOM 126 CD GLN A 15 -21.784 1.211 32.959 1.00 0.00 C ATOM 127 OE1 GLN A 15 -21.798 1.622 34.119 1.00 0.00 O ATOM 128 NE2 GLN A 15 -22.731 1.510 32.078 1.00 0.00 N ATOM 0 H GLN A 15 -17.935 -0.842 35.111 1.00 0.00 H new ATOM 0 HA GLN A 15 -18.950 -1.869 32.755 1.00 0.00 H new ATOM 0 HB2 GLN A 15 -20.148 -0.416 34.403 1.00 0.00 H new ATOM 0 HB3 GLN A 15 -19.190 0.955 33.881 1.00 0.00 H new ATOM 0 HG2 GLN A 15 -20.163 0.805 31.623 1.00 0.00 H new ATOM 0 HG3 GLN A 15 -21.078 -0.613 32.092 1.00 0.00 H new ATOM 0 HE21 GLN A 15 -22.676 1.145 31.127 1.00 0.00 H new ATOM 0 HE22 GLN A 15 -23.513 2.104 32.352 1.00 0.00 H new ATOM 137 N ALA A 16 -16.847 0.639 32.345 1.00 0.00 N ATOM 138 CA ALA A 16 -16.023 1.364 31.380 1.00 0.00 C ATOM 139 C ALA A 16 -14.967 0.447 30.787 1.00 0.00 C ATOM 140 O ALA A 16 -14.789 0.391 29.572 1.00 0.00 O ATOM 141 CB ALA A 16 -15.322 2.534 32.054 1.00 0.00 C ATOM 0 H ALA A 16 -16.669 0.890 33.317 1.00 0.00 H new ATOM 0 HA ALA A 16 -16.679 1.730 30.590 1.00 0.00 H new ATOM 0 HB1 ALA A 16 -14.712 3.064 31.322 1.00 0.00 H new ATOM 0 HB2 ALA A 16 -16.066 3.215 32.467 1.00 0.00 H new ATOM 0 HB3 ALA A 16 -14.685 2.163 32.856 1.00 0.00 H new ATOM 147 N SER A 17 -14.270 -0.269 31.664 1.00 0.00 N ATOM 148 CA SER A 17 -13.219 -1.197 31.255 1.00 0.00 C ATOM 149 C SER A 17 -13.767 -2.224 30.278 1.00 0.00 C ATOM 150 O SER A 17 -13.238 -2.396 29.182 1.00 0.00 O ATOM 151 CB SER A 17 -12.655 -1.937 32.470 1.00 0.00 C ATOM 152 OG SER A 17 -11.985 -1.046 33.344 1.00 0.00 O ATOM 0 H SER A 17 -14.416 -0.224 32.673 1.00 0.00 H new ATOM 0 HA SER A 17 -12.430 -0.616 30.777 1.00 0.00 H new ATOM 0 HB2 SER A 17 -13.464 -2.435 33.004 1.00 0.00 H new ATOM 0 HB3 SER A 17 -11.966 -2.714 32.139 1.00 0.00 H new ATOM 0 HG SER A 17 -12.644 -0.531 33.854 1.00 0.00 H new ATOM 158 N ALA A 18 -14.835 -2.900 30.691 1.00 0.00 N ATOM 159 CA ALA A 18 -15.480 -3.919 29.870 1.00 0.00 C ATOM 160 C ALA A 18 -16.184 -3.281 28.684 1.00 0.00 C ATOM 161 O ALA A 18 -16.307 -3.887 27.622 1.00 0.00 O ATOM 162 CB ALA A 18 -16.510 -4.684 30.687 1.00 0.00 C ATOM 0 H ALA A 18 -15.276 -2.758 31.600 1.00 0.00 H new ATOM 0 HA ALA A 18 -14.706 -4.601 29.516 1.00 0.00 H new ATOM 0 HB1 ALA A 18 -16.982 -5.441 30.060 1.00 0.00 H new ATOM 0 HB2 ALA A 18 -16.019 -5.167 31.531 1.00 0.00 H new ATOM 0 HB3 ALA A 18 -17.268 -3.993 31.056 1.00 0.00 H new ATOM 168 N THR A 19 -16.644 -2.048 28.883 1.00 0.00 N ATOM 169 CA THR A 19 -17.343 -1.299 27.844 1.00 0.00 C ATOM 170 C THR A 19 -16.362 -0.806 26.792 1.00 0.00 C ATOM 171 O THR A 19 -16.553 -1.029 25.598 1.00 0.00 O ATOM 172 CB THR A 19 -18.070 -0.072 28.425 1.00 0.00 C ATOM 173 OG1 THR A 19 -19.057 -0.502 29.371 1.00 0.00 O ATOM 174 CG2 THR A 19 -18.758 0.713 27.319 1.00 0.00 C ATOM 0 H THR A 19 -16.543 -1.543 29.764 1.00 0.00 H new ATOM 0 HA THR A 19 -18.071 -1.978 27.400 1.00 0.00 H new ATOM 0 HB THR A 19 -17.334 0.567 28.914 1.00 0.00 H new ATOM 0 HG1 THR A 19 -18.639 -0.620 30.249 1.00 0.00 H new ATOM 0 HG21 THR A 19 -19.267 1.576 27.748 1.00 0.00 H new ATOM 0 HG22 THR A 19 -18.015 1.051 26.597 1.00 0.00 H new ATOM 0 HG23 THR A 19 -19.486 0.075 26.819 1.00 0.00 H new ATOM 182 N GLU A 20 -15.312 -0.134 27.256 1.00 0.00 N ATOM 183 CA GLU A 20 -14.279 0.404 26.375 1.00 0.00 C ATOM 184 C GLU A 20 -13.578 -0.717 25.627 1.00 0.00 C ATOM 185 O GLU A 20 -13.308 -0.607 24.434 1.00 0.00 O ATOM 186 CB GLU A 20 -13.232 1.173 27.184 1.00 0.00 C ATOM 187 CG GLU A 20 -13.743 2.473 27.783 1.00 0.00 C ATOM 188 CD GLU A 20 -12.695 3.179 28.621 1.00 0.00 C ATOM 189 OE1 GLU A 20 -11.585 2.627 28.774 1.00 0.00 O ATOM 190 OE2 GLU A 20 -12.983 4.286 29.124 1.00 0.00 O ATOM 0 H GLU A 20 -15.153 0.052 28.246 1.00 0.00 H new ATOM 0 HA GLU A 20 -14.765 1.074 25.666 1.00 0.00 H new ATOM 0 HB2 GLU A 20 -12.868 0.533 27.988 1.00 0.00 H new ATOM 0 HB3 GLU A 20 -12.380 1.392 26.540 1.00 0.00 H new ATOM 0 HG2 GLU A 20 -14.069 3.135 26.981 1.00 0.00 H new ATOM 0 HG3 GLU A 20 -14.617 2.266 28.400 1.00 0.00 H new ATOM 198 N MET A 21 -13.290 -1.797 26.349 1.00 0.00 N ATOM 199 CA MET A 21 -12.619 -2.960 25.777 1.00 0.00 C ATOM 200 C MET A 21 -13.493 -3.615 24.721 1.00 0.00 C ATOM 201 O MET A 21 -13.002 -4.084 23.697 1.00 0.00 O ATOM 202 CB MET A 21 -12.319 -3.994 26.864 1.00 0.00 C ATOM 203 CG MET A 21 -11.544 -5.205 26.372 1.00 0.00 C ATOM 204 SD MET A 21 -9.885 -4.786 25.803 1.00 0.00 S ATOM 205 CE MET A 21 -9.075 -4.424 27.359 1.00 0.00 C ATOM 0 H MET A 21 -13.513 -1.890 27.340 1.00 0.00 H new ATOM 0 HA MET A 21 -11.689 -2.616 25.325 1.00 0.00 H new ATOM 0 HB2 MET A 21 -11.752 -3.513 27.661 1.00 0.00 H new ATOM 0 HB3 MET A 21 -13.260 -4.331 27.300 1.00 0.00 H new ATOM 0 HG2 MET A 21 -11.474 -5.937 27.176 1.00 0.00 H new ATOM 0 HG3 MET A 21 -12.094 -5.677 25.558 1.00 0.00 H new ATOM 0 HE1 MET A 21 -7.996 -4.392 27.209 1.00 0.00 H new ATOM 0 HE2 MET A 21 -9.418 -3.459 27.732 1.00 0.00 H new ATOM 0 HE3 MET A 21 -9.317 -5.201 28.085 1.00 0.00 H new ATOM 215 N ILE A 22 -14.796 -3.639 24.988 1.00 0.00 N ATOM 216 CA ILE A 22 -15.769 -4.232 24.075 1.00 0.00 C ATOM 217 C ILE A 22 -15.692 -3.567 22.711 1.00 0.00 C ATOM 218 O ILE A 22 -15.925 -4.203 21.685 1.00 0.00 O ATOM 219 CB ILE A 22 -17.208 -4.070 24.600 1.00 0.00 C ATOM 220 CG1 ILE A 22 -18.161 -4.993 23.838 1.00 0.00 C ATOM 221 CG2 ILE A 22 -17.681 -2.636 24.424 1.00 0.00 C ATOM 222 CD1 ILE A 22 -19.525 -5.125 24.478 1.00 0.00 C ATOM 0 H ILE A 22 -15.205 -3.251 25.838 1.00 0.00 H new ATOM 0 HA ILE A 22 -15.526 -5.292 23.999 1.00 0.00 H new ATOM 0 HB ILE A 22 -17.208 -4.330 25.658 1.00 0.00 H new ATOM 0 HG12 ILE A 22 -18.282 -4.617 22.822 1.00 0.00 H new ATOM 0 HG13 ILE A 22 -17.709 -5.982 23.760 1.00 0.00 H new ATOM 0 HG21 ILE A 22 -18.699 -2.540 24.800 1.00 0.00 H new ATOM 0 HG22 ILE A 22 -17.025 -1.966 24.979 1.00 0.00 H new ATOM 0 HG23 ILE A 22 -17.659 -2.373 23.367 1.00 0.00 H new ATOM 0 HD11 ILE A 22 -20.144 -5.795 23.881 1.00 0.00 H new ATOM 0 HD12 ILE A 22 -19.417 -5.531 25.484 1.00 0.00 H new ATOM 0 HD13 ILE A 22 -19.998 -4.145 24.531 1.00 0.00 H new ATOM 234 N GLY A 23 -15.363 -2.278 22.717 1.00 0.00 N ATOM 235 CA GLY A 23 -15.248 -1.496 21.490 1.00 0.00 C ATOM 236 C GLY A 23 -14.009 -1.907 20.711 1.00 0.00 C ATOM 237 O GLY A 23 -13.996 -1.874 19.483 1.00 0.00 O ATOM 0 H GLY A 23 -15.170 -1.749 23.567 1.00 0.00 H new ATOM 0 HA2 GLY A 23 -16.136 -1.641 20.875 1.00 0.00 H new ATOM 0 HA3 GLY A 23 -15.197 -0.434 21.732 1.00 0.00 H new ATOM 241 N TYR A 24 -12.971 -2.293 21.446 1.00 0.00 N ATOM 242 CA TYR A 24 -11.707 -2.718 20.850 1.00 0.00 C ATOM 243 C TYR A 24 -11.898 -3.998 20.054 1.00 0.00 C ATOM 244 O TYR A 24 -11.427 -4.114 18.924 1.00 0.00 O ATOM 245 CB TYR A 24 -10.662 -2.976 21.937 1.00 0.00 C ATOM 246 CG TYR A 24 -10.100 -1.717 22.558 1.00 0.00 C ATOM 247 CD1 TYR A 24 -9.079 -1.011 21.935 1.00 0.00 C ATOM 248 CD2 TYR A 24 -10.594 -1.238 23.765 1.00 0.00 C ATOM 249 CE1 TYR A 24 -8.559 0.140 22.496 1.00 0.00 C ATOM 250 CE2 TYR A 24 -10.086 -0.088 24.340 1.00 0.00 C ATOM 251 CZ TYR A 24 -9.073 0.599 23.708 1.00 0.00 C ATOM 252 OH TYR A 24 -8.566 1.744 24.278 1.00 0.00 O ATOM 0 H TYR A 24 -12.980 -2.320 22.466 1.00 0.00 H new ATOM 0 HA TYR A 24 -11.366 -1.920 20.191 1.00 0.00 H new ATOM 0 HB2 TYR A 24 -11.110 -3.587 22.720 1.00 0.00 H new ATOM 0 HB3 TYR A 24 -9.843 -3.555 21.510 1.00 0.00 H new ATOM 0 HD1 TYR A 24 -8.684 -1.368 20.995 1.00 0.00 H new ATOM 0 HD2 TYR A 24 -11.389 -1.773 24.263 1.00 0.00 H new ATOM 0 HE1 TYR A 24 -7.764 0.678 22.001 1.00 0.00 H new ATOM 0 HE2 TYR A 24 -10.481 0.270 25.279 1.00 0.00 H new ATOM 0 HH TYR A 24 -9.035 1.926 25.119 1.00 0.00 H new ATOM 262 N ALA A 25 -12.595 -4.955 20.660 1.00 0.00 N ATOM 263 CA ALA A 25 -12.867 -6.243 20.029 1.00 0.00 C ATOM 264 C ALA A 25 -13.643 -6.051 18.737 1.00 0.00 C ATOM 265 O ALA A 25 -13.287 -6.603 17.699 1.00 0.00 O ATOM 266 CB ALA A 25 -13.688 -7.125 20.957 1.00 0.00 C ATOM 0 H ALA A 25 -12.985 -4.861 21.598 1.00 0.00 H new ATOM 0 HA ALA A 25 -11.909 -6.718 19.816 1.00 0.00 H new ATOM 0 HB1 ALA A 25 -13.882 -8.082 20.472 1.00 0.00 H new ATOM 0 HB2 ALA A 25 -13.136 -7.293 21.882 1.00 0.00 H new ATOM 0 HB3 ALA A 25 -14.634 -6.634 21.183 1.00 0.00 H new ATOM 272 N TRP A 26 -14.708 -5.257 18.820 1.00 0.00 N ATOM 273 CA TRP A 26 -15.558 -4.972 17.668 1.00 0.00 C ATOM 274 C TRP A 26 -14.766 -4.254 16.587 1.00 0.00 C ATOM 275 O TRP A 26 -14.887 -4.566 15.404 1.00 0.00 O ATOM 276 CB TRP A 26 -16.734 -4.083 18.077 1.00 0.00 C ATOM 277 CG TRP A 26 -17.659 -3.755 16.945 1.00 0.00 C ATOM 278 CD1 TRP A 26 -17.747 -2.568 16.277 1.00 0.00 C ATOM 279 CD2 TRP A 26 -18.629 -4.625 16.349 1.00 0.00 C ATOM 280 NE1 TRP A 26 -18.711 -2.643 15.301 1.00 0.00 N ATOM 281 CE2 TRP A 26 -19.268 -3.898 15.325 1.00 0.00 C ATOM 282 CE3 TRP A 26 -19.020 -5.947 16.580 1.00 0.00 C ATOM 283 CZ2 TRP A 26 -20.275 -4.449 14.534 1.00 0.00 C ATOM 284 CZ3 TRP A 26 -20.018 -6.489 15.794 1.00 0.00 C ATOM 285 CH2 TRP A 26 -20.636 -5.744 14.783 1.00 0.00 C ATOM 0 H TRP A 26 -15.004 -4.797 19.681 1.00 0.00 H new ATOM 0 HA TRP A 26 -15.929 -5.923 17.285 1.00 0.00 H new ATOM 0 HB2 TRP A 26 -17.299 -4.582 18.864 1.00 0.00 H new ATOM 0 HB3 TRP A 26 -16.348 -3.156 18.500 1.00 0.00 H new ATOM 0 HD1 TRP A 26 -17.146 -1.696 16.486 1.00 0.00 H new ATOM 0 HE1 TRP A 26 -18.970 -1.890 14.663 1.00 0.00 H new ATOM 0 HE3 TRP A 26 -18.551 -6.533 17.357 1.00 0.00 H new ATOM 0 HZ2 TRP A 26 -20.752 -3.875 13.754 1.00 0.00 H new ATOM 0 HZ3 TRP A 26 -20.328 -7.510 15.963 1.00 0.00 H new ATOM 0 HH2 TRP A 26 -21.413 -6.201 14.188 1.00 0.00 H new ATOM 296 N ALA A 27 -13.955 -3.290 17.012 1.00 0.00 N ATOM 297 CA ALA A 27 -13.127 -2.508 16.099 1.00 0.00 C ATOM 298 C ALA A 27 -12.061 -3.387 15.463 1.00 0.00 C ATOM 299 O ALA A 27 -11.844 -3.340 14.255 1.00 0.00 O ATOM 300 CB ALA A 27 -12.437 -1.377 16.846 1.00 0.00 C ATOM 0 H ALA A 27 -13.853 -3.030 17.993 1.00 0.00 H new ATOM 0 HA ALA A 27 -13.777 -2.098 15.326 1.00 0.00 H new ATOM 0 HB1 ALA A 27 -11.823 -0.803 16.151 1.00 0.00 H new ATOM 0 HB2 ALA A 27 -13.188 -0.724 17.292 1.00 0.00 H new ATOM 0 HB3 ALA A 27 -11.805 -1.792 17.631 1.00 0.00 H new ATOM 306 N MET A 28 -11.400 -4.184 16.297 1.00 0.00 N ATOM 307 CA MET A 28 -10.348 -5.089 15.843 1.00 0.00 C ATOM 308 C MET A 28 -10.935 -6.212 15.003 1.00 0.00 C ATOM 309 O MET A 28 -10.460 -6.493 13.906 1.00 0.00 O ATOM 310 CB MET A 28 -9.622 -5.709 17.038 1.00 0.00 C ATOM 311 CG MET A 28 -8.468 -6.622 16.658 1.00 0.00 C ATOM 312 SD MET A 28 -7.620 -7.307 18.094 1.00 0.00 S ATOM 313 CE MET A 28 -8.858 -8.448 18.706 1.00 0.00 C ATOM 0 H MET A 28 -11.577 -4.221 17.301 1.00 0.00 H new ATOM 0 HA MET A 28 -9.647 -4.507 15.244 1.00 0.00 H new ATOM 0 HB2 MET A 28 -9.244 -4.909 17.675 1.00 0.00 H new ATOM 0 HB3 MET A 28 -10.340 -6.276 17.631 1.00 0.00 H new ATOM 0 HG2 MET A 28 -8.844 -7.437 16.040 1.00 0.00 H new ATOM 0 HG3 MET A 28 -7.754 -6.065 16.051 1.00 0.00 H new ATOM 0 HE1 MET A 28 -8.404 -9.123 19.431 1.00 0.00 H new ATOM 0 HE2 MET A 28 -9.663 -7.890 19.185 1.00 0.00 H new ATOM 0 HE3 MET A 28 -9.262 -9.026 17.875 1.00 0.00 H new ATOM 323 N VAL A 29 -11.976 -6.845 15.538 1.00 0.00 N ATOM 324 CA VAL A 29 -12.654 -7.944 14.858 1.00 0.00 C ATOM 325 C VAL A 29 -13.291 -7.460 13.566 1.00 0.00 C ATOM 326 O VAL A 29 -13.120 -8.068 12.512 1.00 0.00 O ATOM 327 CB VAL A 29 -13.765 -8.550 15.735 1.00 0.00 C ATOM 328 CG1 VAL A 29 -14.590 -9.548 14.936 1.00 0.00 C ATOM 329 CG2 VAL A 29 -13.165 -9.272 16.932 1.00 0.00 C ATOM 0 H VAL A 29 -12.371 -6.612 16.449 1.00 0.00 H new ATOM 0 HA VAL A 29 -11.898 -8.702 14.651 1.00 0.00 H new ATOM 0 HB VAL A 29 -14.401 -7.733 16.076 1.00 0.00 H new ATOM 0 HG11 VAL A 29 -15.370 -9.966 15.572 1.00 0.00 H new ATOM 0 HG12 VAL A 29 -15.047 -9.043 14.085 1.00 0.00 H new ATOM 0 HG13 VAL A 29 -13.944 -10.350 14.579 1.00 0.00 H new ATOM 0 HG21 VAL A 29 -13.965 -9.694 17.541 1.00 0.00 H new ATOM 0 HG22 VAL A 29 -12.512 -10.073 16.584 1.00 0.00 H new ATOM 0 HG23 VAL A 29 -12.587 -8.567 17.530 1.00 0.00 H new ATOM 339 N VAL A 30 -14.027 -6.357 13.666 1.00 0.00 N ATOM 340 CA VAL A 30 -14.705 -5.766 12.518 1.00 0.00 C ATOM 341 C VAL A 30 -13.708 -5.446 11.416 1.00 0.00 C ATOM 342 O VAL A 30 -13.971 -5.680 10.239 1.00 0.00 O ATOM 343 CB VAL A 30 -15.424 -4.459 12.899 1.00 0.00 C ATOM 344 CG1 VAL A 30 -15.944 -3.755 11.655 1.00 0.00 C ATOM 345 CG2 VAL A 30 -16.603 -4.747 13.816 1.00 0.00 C ATOM 0 H VAL A 30 -14.169 -5.851 14.540 1.00 0.00 H new ATOM 0 HA VAL A 30 -15.436 -6.497 12.172 1.00 0.00 H new ATOM 0 HB VAL A 30 -14.704 -3.821 13.412 1.00 0.00 H new ATOM 0 HG11 VAL A 30 -16.449 -2.833 11.943 1.00 0.00 H new ATOM 0 HG12 VAL A 30 -15.110 -3.520 10.994 1.00 0.00 H new ATOM 0 HG13 VAL A 30 -16.646 -4.407 11.135 1.00 0.00 H new ATOM 0 HG21 VAL A 30 -17.099 -3.812 14.075 1.00 0.00 H new ATOM 0 HG22 VAL A 30 -17.309 -5.403 13.306 1.00 0.00 H new ATOM 0 HG23 VAL A 30 -16.247 -5.233 14.725 1.00 0.00 H new ATOM 355 N VAL A 31 -12.560 -4.907 11.820 1.00 0.00 N ATOM 356 CA VAL A 31 -11.498 -4.542 10.886 1.00 0.00 C ATOM 357 C VAL A 31 -10.794 -5.785 10.367 1.00 0.00 C ATOM 358 O VAL A 31 -10.579 -5.934 9.167 1.00 0.00 O ATOM 359 CB VAL A 31 -10.441 -3.645 11.556 1.00 0.00 C ATOM 360 CG1 VAL A 31 -9.257 -3.430 10.625 1.00 0.00 C ATOM 361 CG2 VAL A 31 -11.035 -2.287 11.899 1.00 0.00 C ATOM 0 H VAL A 31 -12.341 -4.712 12.797 1.00 0.00 H new ATOM 0 HA VAL A 31 -11.970 -4.000 10.067 1.00 0.00 H new ATOM 0 HB VAL A 31 -10.110 -4.145 12.466 1.00 0.00 H new ATOM 0 HG11 VAL A 31 -8.520 -2.794 11.115 1.00 0.00 H new ATOM 0 HG12 VAL A 31 -8.804 -4.392 10.385 1.00 0.00 H new ATOM 0 HG13 VAL A 31 -9.598 -2.950 9.708 1.00 0.00 H new ATOM 0 HG21 VAL A 31 -10.274 -1.666 12.372 1.00 0.00 H new ATOM 0 HG22 VAL A 31 -11.384 -1.802 10.988 1.00 0.00 H new ATOM 0 HG23 VAL A 31 -11.873 -2.419 12.584 1.00 0.00 H new ATOM 371 N ILE A 32 -10.442 -6.674 11.292 1.00 0.00 N ATOM 372 CA ILE A 32 -9.758 -7.919 10.957 1.00 0.00 C ATOM 373 C ILE A 32 -10.630 -8.779 10.055 1.00 0.00 C ATOM 374 O ILE A 32 -10.192 -9.233 9.001 1.00 0.00 O ATOM 375 CB ILE A 32 -9.428 -8.739 12.218 1.00 0.00 C ATOM 376 CG1 ILE A 32 -8.378 -8.015 13.065 1.00 0.00 C ATOM 377 CG2 ILE A 32 -8.881 -10.106 11.837 1.00 0.00 C ATOM 378 CD1 ILE A 32 -8.176 -8.623 14.436 1.00 0.00 C ATOM 0 H ILE A 32 -10.622 -6.553 12.289 1.00 0.00 H new ATOM 0 HA ILE A 32 -8.834 -7.646 10.448 1.00 0.00 H new ATOM 0 HB ILE A 32 -10.349 -8.857 12.790 1.00 0.00 H new ATOM 0 HG12 ILE A 32 -7.427 -8.020 12.532 1.00 0.00 H new ATOM 0 HG13 ILE A 32 -8.673 -6.972 13.180 1.00 0.00 H new ATOM 0 HG21 ILE A 32 -8.653 -10.672 12.741 1.00 0.00 H new ATOM 0 HG22 ILE A 32 -9.625 -10.645 11.249 1.00 0.00 H new ATOM 0 HG23 ILE A 32 -7.972 -9.983 11.247 1.00 0.00 H new ATOM 0 HD11 ILE A 32 -7.418 -8.057 14.977 1.00 0.00 H new ATOM 0 HD12 ILE A 32 -9.115 -8.593 14.989 1.00 0.00 H new ATOM 0 HD13 ILE A 32 -7.850 -9.658 14.331 1.00 0.00 H new ATOM 390 N VAL A 33 -11.871 -8.992 10.487 1.00 0.00 N ATOM 391 CA VAL A 33 -12.831 -9.795 9.737 1.00 0.00 C ATOM 392 C VAL A 33 -13.349 -9.020 8.535 1.00 0.00 C ATOM 393 O VAL A 33 -13.387 -9.537 7.421 1.00 0.00 O ATOM 394 CB VAL A 33 -14.041 -10.186 10.606 1.00 0.00 C ATOM 395 CG1 VAL A 33 -15.109 -10.860 9.759 1.00 0.00 C ATOM 396 CG2 VAL A 33 -13.619 -11.149 11.704 1.00 0.00 C ATOM 0 H VAL A 33 -12.237 -8.615 11.361 1.00 0.00 H new ATOM 0 HA VAL A 33 -12.308 -10.695 9.415 1.00 0.00 H new ATOM 0 HB VAL A 33 -14.441 -9.274 11.048 1.00 0.00 H new ATOM 0 HG11 VAL A 33 -15.957 -11.130 10.389 1.00 0.00 H new ATOM 0 HG12 VAL A 33 -15.440 -10.175 8.979 1.00 0.00 H new ATOM 0 HG13 VAL A 33 -14.697 -11.759 9.301 1.00 0.00 H new ATOM 0 HG21 VAL A 33 -14.486 -11.415 12.308 1.00 0.00 H new ATOM 0 HG22 VAL A 33 -13.199 -12.050 11.256 1.00 0.00 H new ATOM 0 HG23 VAL A 33 -12.868 -10.674 12.336 1.00 0.00 H new ATOM 406 N GLY A 34 -13.745 -7.777 8.782 1.00 0.00 N ATOM 407 CA GLY A 34 -14.269 -6.902 7.735 1.00 0.00 C ATOM 408 C GLY A 34 -13.141 -6.402 6.847 1.00 0.00 C ATOM 409 O GLY A 34 -13.197 -6.529 5.626 1.00 0.00 O ATOM 0 H GLY A 34 -13.713 -7.347 9.707 1.00 0.00 H new ATOM 0 HA2 GLY A 34 -15.001 -7.442 7.134 1.00 0.00 H new ATOM 0 HA3 GLY A 34 -14.788 -6.056 8.186 1.00 0.00 H new ATOM 413 N ALA A 35 -12.120 -5.834 7.480 1.00 0.00 N ATOM 414 CA ALA A 35 -10.959 -5.303 6.770 1.00 0.00 C ATOM 415 C ALA A 35 -10.117 -6.435 6.203 1.00 0.00 C ATOM 416 O ALA A 35 -9.838 -6.477 5.007 1.00 0.00 O ATOM 417 CB ALA A 35 -10.091 -4.482 7.712 1.00 0.00 C ATOM 0 H ALA A 35 -12.072 -5.728 8.493 1.00 0.00 H new ATOM 0 HA ALA A 35 -11.324 -4.673 5.959 1.00 0.00 H new ATOM 0 HB1 ALA A 35 -9.230 -4.093 7.168 1.00 0.00 H new ATOM 0 HB2 ALA A 35 -10.673 -3.651 8.112 1.00 0.00 H new ATOM 0 HB3 ALA A 35 -9.747 -5.112 8.532 1.00 0.00 H new ATOM 423 N THR A 36 -9.719 -7.351 7.082 1.00 0.00 N ATOM 424 CA THR A 36 -8.905 -8.501 6.697 1.00 0.00 C ATOM 425 C THR A 36 -9.669 -9.394 5.734 1.00 0.00 C ATOM 426 O THR A 36 -9.194 -9.692 4.640 1.00 0.00 O ATOM 427 CB THR A 36 -8.513 -9.350 7.921 1.00 0.00 C ATOM 428 OG1 THR A 36 -7.742 -8.555 8.830 1.00 0.00 O ATOM 429 CG2 THR A 36 -7.683 -10.551 7.492 1.00 0.00 C ATOM 0 H THR A 36 -9.950 -7.318 8.075 1.00 0.00 H new ATOM 0 HA THR A 36 -8.005 -8.108 6.223 1.00 0.00 H new ATOM 0 HB THR A 36 -9.424 -9.698 8.407 1.00 0.00 H new ATOM 0 HG1 THR A 36 -7.117 -9.130 9.318 1.00 0.00 H new ATOM 0 HG21 THR A 36 -7.415 -11.140 8.369 1.00 0.00 H new ATOM 0 HG22 THR A 36 -8.263 -11.167 6.805 1.00 0.00 H new ATOM 0 HG23 THR A 36 -6.776 -10.207 6.994 1.00 0.00 H new ATOM 437 N ILE A 37 -10.857 -9.815 6.158 1.00 0.00 N ATOM 438 CA ILE A 37 -11.713 -10.679 5.351 1.00 0.00 C ATOM 439 C ILE A 37 -12.341 -9.891 4.212 1.00 0.00 C ATOM 440 O ILE A 37 -12.502 -10.402 3.105 1.00 0.00 O ATOM 441 CB ILE A 37 -12.852 -11.288 6.190 1.00 0.00 C ATOM 442 CG1 ILE A 37 -12.288 -12.260 7.229 1.00 0.00 C ATOM 443 CG2 ILE A 37 -13.823 -12.046 5.299 1.00 0.00 C ATOM 444 CD1 ILE A 37 -13.303 -12.715 8.254 1.00 0.00 C ATOM 0 H ILE A 37 -11.252 -9.569 7.066 1.00 0.00 H new ATOM 0 HA ILE A 37 -11.081 -11.477 4.962 1.00 0.00 H new ATOM 0 HB ILE A 37 -13.372 -10.471 6.690 1.00 0.00 H new ATOM 0 HG12 ILE A 37 -11.887 -13.134 6.715 1.00 0.00 H new ATOM 0 HG13 ILE A 37 -11.454 -11.783 7.744 1.00 0.00 H new ATOM 0 HG21 ILE A 37 -14.621 -12.470 5.908 1.00 0.00 H new ATOM 0 HG22 ILE A 37 -14.251 -11.364 4.564 1.00 0.00 H new ATOM 0 HG23 ILE A 37 -13.294 -12.849 4.785 1.00 0.00 H new ATOM 0 HD11 ILE A 37 -12.829 -13.401 8.956 1.00 0.00 H new ATOM 0 HD12 ILE A 37 -13.686 -11.850 8.795 1.00 0.00 H new ATOM 0 HD13 ILE A 37 -14.126 -13.222 7.751 1.00 0.00 H new ATOM 456 N GLY A 38 -12.692 -8.641 4.502 1.00 0.00 N ATOM 457 CA GLY A 38 -13.306 -7.756 3.517 1.00 0.00 C ATOM 458 C GLY A 38 -12.313 -7.405 2.422 1.00 0.00 C ATOM 459 O GLY A 38 -12.630 -7.473 1.236 1.00 0.00 O ATOM 0 H GLY A 38 -12.560 -8.216 5.420 1.00 0.00 H new ATOM 0 HA2 GLY A 38 -14.181 -8.239 3.081 1.00 0.00 H new ATOM 0 HA3 GLY A 38 -13.654 -6.846 4.005 1.00 0.00 H new ATOM 463 N ILE A 39 -11.107 -7.029 2.839 1.00 0.00 N ATOM 464 CA ILE A 39 -10.041 -6.661 1.913 1.00 0.00 C ATOM 465 C ILE A 39 -9.724 -7.815 0.976 1.00 0.00 C ATOM 466 O ILE A 39 -9.539 -7.622 -0.223 1.00 0.00 O ATOM 467 CB ILE A 39 -8.747 -6.291 2.661 1.00 0.00 C ATOM 468 CG1 ILE A 39 -8.940 -4.997 3.453 1.00 0.00 C ATOM 469 CG2 ILE A 39 -7.603 -6.089 1.678 1.00 0.00 C ATOM 470 CD1 ILE A 39 -9.287 -3.801 2.593 1.00 0.00 C ATOM 0 H ILE A 39 -10.843 -6.971 3.822 1.00 0.00 H new ATOM 0 HA ILE A 39 -10.397 -5.799 1.349 1.00 0.00 H new ATOM 0 HB ILE A 39 -8.509 -7.109 3.341 1.00 0.00 H new ATOM 0 HG12 ILE A 39 -9.731 -5.146 4.188 1.00 0.00 H new ATOM 0 HG13 ILE A 39 -8.027 -4.781 4.007 1.00 0.00 H new ATOM 0 HG21 ILE A 39 -6.696 -5.828 2.224 1.00 0.00 H new ATOM 0 HG22 ILE A 39 -7.437 -7.010 1.118 1.00 0.00 H new ATOM 0 HG23 ILE A 39 -7.855 -5.284 0.987 1.00 0.00 H new ATOM 0 HD11 ILE A 39 -9.408 -2.921 3.225 1.00 0.00 H new ATOM 0 HD12 ILE A 39 -8.486 -3.624 1.875 1.00 0.00 H new ATOM 0 HD13 ILE A 39 -10.217 -3.995 2.059 1.00 0.00 H new ATOM 482 N LYS A 40 -9.668 -9.017 1.545 1.00 0.00 N ATOM 483 CA LYS A 40 -9.376 -10.226 0.782 1.00 0.00 C ATOM 484 C LYS A 40 -10.369 -10.390 -0.357 1.00 0.00 C ATOM 485 O LYS A 40 -9.989 -10.692 -1.486 1.00 0.00 O ATOM 486 CB LYS A 40 -9.463 -11.461 1.681 1.00 0.00 C ATOM 487 CG LYS A 40 -9.124 -12.765 0.978 1.00 0.00 C ATOM 488 CD LYS A 40 -9.175 -13.941 1.941 1.00 0.00 C ATOM 489 CE LYS A 40 -8.850 -15.247 1.235 1.00 0.00 C ATOM 490 NZ LYS A 40 -8.885 -16.407 2.168 1.00 0.00 N ATOM 0 H LYS A 40 -9.823 -9.179 2.540 1.00 0.00 H new ATOM 0 HA LYS A 40 -8.367 -10.130 0.382 1.00 0.00 H new ATOM 0 HB2 LYS A 40 -8.788 -11.330 2.526 1.00 0.00 H new ATOM 0 HB3 LYS A 40 -10.472 -11.531 2.087 1.00 0.00 H new ATOM 0 HG2 LYS A 40 -9.824 -12.932 0.159 1.00 0.00 H new ATOM 0 HG3 LYS A 40 -8.129 -12.695 0.538 1.00 0.00 H new ATOM 0 HD2 LYS A 40 -8.468 -13.779 2.754 1.00 0.00 H new ATOM 0 HD3 LYS A 40 -10.167 -14.004 2.389 1.00 0.00 H new ATOM 0 HE2 LYS A 40 -9.563 -15.410 0.427 1.00 0.00 H new ATOM 0 HE3 LYS A 40 -7.862 -15.177 0.780 1.00 0.00 H new ATOM 0 HZ1 LYS A 40 -8.658 -17.278 1.647 1.00 0.00 H new ATOM 0 HZ2 LYS A 40 -8.187 -16.264 2.926 1.00 0.00 H new ATOM 0 HZ3 LYS A 40 -9.835 -16.490 2.584 1.00 0.00 H new ATOM 504 N LEU A 41 -11.644 -10.188 -0.042 1.00 0.00 N ATOM 505 CA LEU A 41 -12.720 -10.308 -1.022 1.00 0.00 C ATOM 506 C LEU A 41 -12.448 -9.412 -2.220 1.00 0.00 C ATOM 507 O LEU A 41 -12.795 -9.748 -3.350 1.00 0.00 O ATOM 508 CB LEU A 41 -14.057 -9.897 -0.403 1.00 0.00 C ATOM 509 CG LEU A 41 -15.302 -10.127 -1.262 1.00 0.00 C ATOM 510 CD1 LEU A 41 -15.499 -11.609 -1.537 1.00 0.00 C ATOM 511 CD2 LEU A 41 -16.545 -9.603 -0.559 1.00 0.00 C ATOM 0 H LEU A 41 -11.961 -9.938 0.895 1.00 0.00 H new ATOM 0 HA LEU A 41 -12.766 -11.349 -1.341 1.00 0.00 H new ATOM 0 HB2 LEU A 41 -14.182 -10.441 0.533 1.00 0.00 H new ATOM 0 HB3 LEU A 41 -14.006 -8.838 -0.151 1.00 0.00 H new ATOM 0 HG LEU A 41 -15.154 -9.592 -2.200 1.00 0.00 H new ATOM 0 HD11 LEU A 41 -16.390 -11.750 -2.149 1.00 0.00 H new ATOM 0 HD12 LEU A 41 -14.630 -12.000 -2.066 1.00 0.00 H new ATOM 0 HD13 LEU A 41 -15.619 -12.141 -0.593 1.00 0.00 H new ATOM 0 HD21 LEU A 41 -17.419 -9.777 -1.187 1.00 0.00 H new ATOM 0 HD22 LEU A 41 -16.672 -10.122 0.391 1.00 0.00 H new ATOM 0 HD23 LEU A 41 -16.436 -8.534 -0.376 1.00 0.00 H new ATOM 523 N PHE A 42 -11.823 -8.269 -1.954 1.00 0.00 N ATOM 524 CA PHE A 42 -11.490 -7.301 -2.995 1.00 0.00 C ATOM 525 C PHE A 42 -10.541 -7.916 -4.009 1.00 0.00 C ATOM 526 O PHE A 42 -10.716 -7.755 -5.215 1.00 0.00 O ATOM 527 CB PHE A 42 -10.816 -6.070 -2.386 1.00 0.00 C ATOM 528 CG PHE A 42 -10.453 -5.017 -3.394 1.00 0.00 C ATOM 529 CD1 PHE A 42 -11.418 -4.167 -3.906 1.00 0.00 C ATOM 530 CD2 PHE A 42 -9.147 -4.876 -3.830 1.00 0.00 C ATOM 531 CE1 PHE A 42 -11.085 -3.198 -4.833 1.00 0.00 C ATOM 532 CE2 PHE A 42 -8.814 -3.907 -4.757 1.00 0.00 C ATOM 533 CZ PHE A 42 -9.776 -3.070 -5.258 1.00 0.00 C ATOM 0 H PHE A 42 -11.534 -7.988 -1.017 1.00 0.00 H new ATOM 0 HA PHE A 42 -12.418 -7.009 -3.487 1.00 0.00 H new ATOM 0 HB2 PHE A 42 -11.482 -5.633 -1.642 1.00 0.00 H new ATOM 0 HB3 PHE A 42 -9.914 -6.384 -1.861 1.00 0.00 H new ATOM 0 HD1 PHE A 42 -12.442 -4.262 -3.577 1.00 0.00 H new ATOM 0 HD2 PHE A 42 -8.380 -5.530 -3.442 1.00 0.00 H new ATOM 0 HE1 PHE A 42 -11.847 -2.541 -5.225 1.00 0.00 H new ATOM 0 HE2 PHE A 42 -7.791 -3.809 -5.088 1.00 0.00 H new ATOM 0 HZ PHE A 42 -9.513 -2.313 -5.982 1.00 0.00 H new ATOM 543 N LYS A 43 -9.534 -8.622 -3.502 1.00 0.00 N ATOM 544 CA LYS A 43 -8.538 -9.277 -4.344 1.00 0.00 C ATOM 545 C LYS A 43 -9.150 -10.462 -5.072 1.00 0.00 C ATOM 546 O LYS A 43 -8.913 -10.664 -6.260 1.00 0.00 O ATOM 547 CB LYS A 43 -7.369 -9.783 -3.496 1.00 0.00 C ATOM 548 CG LYS A 43 -6.492 -8.680 -2.927 1.00 0.00 C ATOM 549 CD LYS A 43 -5.345 -9.252 -2.110 1.00 0.00 C ATOM 550 CE LYS A 43 -4.468 -8.149 -1.541 1.00 0.00 C ATOM 551 NZ LYS A 43 -3.348 -8.695 -0.726 1.00 0.00 N ATOM 0 H LYS A 43 -9.386 -8.756 -2.502 1.00 0.00 H new ATOM 0 HA LYS A 43 -8.182 -8.543 -5.067 1.00 0.00 H new ATOM 0 HB2 LYS A 43 -7.763 -10.380 -2.673 1.00 0.00 H new ATOM 0 HB3 LYS A 43 -6.753 -10.445 -4.104 1.00 0.00 H new ATOM 0 HG2 LYS A 43 -6.095 -8.073 -3.740 1.00 0.00 H new ATOM 0 HG3 LYS A 43 -7.094 -8.021 -2.301 1.00 0.00 H new ATOM 0 HD2 LYS A 43 -5.742 -9.859 -1.297 1.00 0.00 H new ATOM 0 HD3 LYS A 43 -4.743 -9.911 -2.736 1.00 0.00 H new ATOM 0 HE2 LYS A 43 -4.065 -7.549 -2.357 1.00 0.00 H new ATOM 0 HE3 LYS A 43 -5.074 -7.484 -0.926 1.00 0.00 H new ATOM 0 HZ1 LYS A 43 -2.774 -7.911 -0.356 1.00 0.00 H new ATOM 0 HZ2 LYS A 43 -3.733 -9.247 0.067 1.00 0.00 H new ATOM 0 HZ3 LYS A 43 -2.754 -9.309 -1.319 1.00 0.00 H new ATOM 565 N LYS A 44 -9.941 -11.241 -4.338 1.00 0.00 N ATOM 566 CA LYS A 44 -10.604 -12.418 -4.888 1.00 0.00 C ATOM 567 C LYS A 44 -11.766 -12.007 -5.779 1.00 0.00 C ATOM 568 O LYS A 44 -11.936 -12.533 -6.877 1.00 0.00 O ATOM 569 CB LYS A 44 -11.146 -13.302 -3.763 1.00 0.00 C ATOM 570 CG LYS A 44 -10.070 -14.015 -2.961 1.00 0.00 C ATOM 571 CD LYS A 44 -9.318 -15.021 -3.817 1.00 0.00 C ATOM 572 CE LYS A 44 -8.273 -15.767 -3.003 1.00 0.00 C ATOM 573 NZ LYS A 44 -7.502 -16.729 -3.837 1.00 0.00 N ATOM 0 H LYS A 44 -10.139 -11.075 -3.351 1.00 0.00 H new ATOM 0 HA LYS A 44 -9.868 -12.972 -5.472 1.00 0.00 H new ATOM 0 HB2 LYS A 44 -11.741 -12.687 -3.087 1.00 0.00 H new ATOM 0 HB3 LYS A 44 -11.818 -14.046 -4.192 1.00 0.00 H new ATOM 0 HG2 LYS A 44 -9.370 -13.284 -2.557 1.00 0.00 H new ATOM 0 HG3 LYS A 44 -10.525 -14.525 -2.112 1.00 0.00 H new ATOM 0 HD2 LYS A 44 -10.022 -15.733 -4.249 1.00 0.00 H new ATOM 0 HD3 LYS A 44 -8.835 -14.506 -4.648 1.00 0.00 H new ATOM 0 HE2 LYS A 44 -7.588 -15.051 -2.548 1.00 0.00 H new ATOM 0 HE3 LYS A 44 -8.761 -16.303 -2.189 1.00 0.00 H new ATOM 0 HZ1 LYS A 44 -6.800 -17.217 -3.245 1.00 0.00 H new ATOM 0 HZ2 LYS A 44 -8.152 -17.428 -4.251 1.00 0.00 H new ATOM 0 HZ3 LYS A 44 -7.015 -16.215 -4.599 1.00 0.00 H new ATOM 587 N PHE A 45 -12.559 -11.061 -5.287 1.00 0.00 N ATOM 588 CA PHE A 45 -13.717 -10.556 -6.019 1.00 0.00 C ATOM 589 C PHE A 45 -13.275 -9.639 -7.149 1.00 0.00 C ATOM 590 O PHE A 45 -13.798 -9.709 -8.259 1.00 0.00 O ATOM 591 CB PHE A 45 -14.637 -9.765 -5.087 1.00 0.00 C ATOM 592 CG PHE A 45 -15.876 -9.244 -5.757 1.00 0.00 C ATOM 593 CD1 PHE A 45 -16.947 -10.083 -6.012 1.00 0.00 C ATOM 594 CD2 PHE A 45 -15.971 -7.916 -6.132 1.00 0.00 C ATOM 595 CE1 PHE A 45 -18.087 -9.604 -6.629 1.00 0.00 C ATOM 596 CE2 PHE A 45 -17.111 -7.436 -6.749 1.00 0.00 C ATOM 597 CZ PHE A 45 -18.167 -8.274 -6.997 1.00 0.00 C ATOM 0 H PHE A 45 -12.419 -10.625 -4.376 1.00 0.00 H new ATOM 0 HA PHE A 45 -14.252 -11.414 -6.426 1.00 0.00 H new ATOM 0 HB2 PHE A 45 -14.928 -10.402 -4.252 1.00 0.00 H new ATOM 0 HB3 PHE A 45 -14.081 -8.926 -4.669 1.00 0.00 H new ATOM 0 HD1 PHE A 45 -16.891 -11.123 -5.726 1.00 0.00 H new ATOM 0 HD2 PHE A 45 -15.145 -7.247 -5.941 1.00 0.00 H new ATOM 0 HE1 PHE A 45 -18.916 -10.269 -6.824 1.00 0.00 H new ATOM 0 HE2 PHE A 45 -17.170 -6.397 -7.037 1.00 0.00 H new ATOM 0 HZ PHE A 45 -19.058 -7.897 -7.478 1.00 0.00 H new ATOM 607 N THR A 46 -12.304 -8.781 -6.848 1.00 0.00 N ATOM 608 CA THR A 46 -11.768 -7.836 -7.822 1.00 0.00 C ATOM 609 C THR A 46 -10.867 -8.549 -8.816 1.00 0.00 C ATOM 610 O THR A 46 -10.940 -8.308 -10.019 1.00 0.00 O ATOM 611 CB THR A 46 -10.939 -6.732 -7.140 1.00 0.00 C ATOM 612 OG1 THR A 46 -11.774 -5.988 -6.244 1.00 0.00 O ATOM 613 CG2 THR A 46 -10.362 -5.782 -8.178 1.00 0.00 C ATOM 0 H THR A 46 -11.869 -8.721 -5.927 1.00 0.00 H new ATOM 0 HA THR A 46 -12.622 -7.389 -8.332 1.00 0.00 H new ATOM 0 HB THR A 46 -10.123 -7.201 -6.590 1.00 0.00 H new ATOM 0 HG1 THR A 46 -11.372 -5.983 -5.350 1.00 0.00 H new ATOM 0 HG21 THR A 46 -9.779 -5.008 -7.679 1.00 0.00 H new ATOM 0 HG22 THR A 46 -9.719 -6.337 -8.861 1.00 0.00 H new ATOM 0 HG23 THR A 46 -11.174 -5.319 -8.739 1.00 0.00 H new ATOM 621 N SER A 47 -10.019 -9.430 -8.295 1.00 0.00 N ATOM 622 CA SER A 47 -9.087 -10.196 -9.116 1.00 0.00 C ATOM 623 C SER A 47 -9.819 -11.300 -9.862 1.00 0.00 C ATOM 624 O SER A 47 -9.570 -11.538 -11.041 1.00 0.00 O ATOM 625 CB SER A 47 -8.006 -10.836 -8.243 1.00 0.00 C ATOM 626 OG SER A 47 -7.100 -11.593 -9.027 1.00 0.00 O ATOM 0 H SER A 47 -9.958 -9.633 -7.297 1.00 0.00 H new ATOM 0 HA SER A 47 -8.629 -9.509 -9.828 1.00 0.00 H new ATOM 0 HB2 SER A 47 -7.464 -10.060 -7.703 1.00 0.00 H new ATOM 0 HB3 SER A 47 -8.471 -11.479 -7.496 1.00 0.00 H new ATOM 0 HG SER A 47 -6.418 -11.991 -8.446 1.00 0.00 H new ATOM 632 N LYS A 48 -10.725 -11.968 -9.154 1.00 0.00 N ATOM 633 CA LYS A 48 -11.514 -13.057 -9.724 1.00 0.00 C ATOM 634 C LYS A 48 -12.592 -12.509 -10.644 1.00 0.00 C ATOM 635 O LYS A 48 -12.854 -13.062 -11.710 1.00 0.00 O ATOM 636 CB LYS A 48 -12.190 -13.866 -8.615 1.00 0.00 C ATOM 637 CG LYS A 48 -11.230 -14.697 -7.780 1.00 0.00 C ATOM 638 CD LYS A 48 -10.577 -15.788 -8.612 1.00 0.00 C ATOM 639 CE LYS A 48 -9.652 -16.649 -7.765 1.00 0.00 C ATOM 640 NZ LYS A 48 -8.975 -17.699 -8.575 1.00 0.00 N ATOM 0 H LYS A 48 -10.933 -11.772 -8.175 1.00 0.00 H new ATOM 0 HA LYS A 48 -10.837 -13.697 -10.289 1.00 0.00 H new ATOM 0 HB2 LYS A 48 -12.728 -13.183 -7.958 1.00 0.00 H new ATOM 0 HB3 LYS A 48 -12.931 -14.528 -9.063 1.00 0.00 H new ATOM 0 HG2 LYS A 48 -10.461 -14.051 -7.355 1.00 0.00 H new ATOM 0 HG3 LYS A 48 -11.767 -15.146 -6.944 1.00 0.00 H new ATOM 0 HD2 LYS A 48 -11.347 -16.413 -9.064 1.00 0.00 H new ATOM 0 HD3 LYS A 48 -10.012 -15.337 -9.428 1.00 0.00 H new ATOM 0 HE2 LYS A 48 -8.902 -16.017 -7.290 1.00 0.00 H new ATOM 0 HE3 LYS A 48 -10.225 -17.120 -6.966 1.00 0.00 H new ATOM 0 HZ1 LYS A 48 -8.354 -18.264 -7.961 1.00 0.00 H new ATOM 0 HZ2 LYS A 48 -9.690 -18.318 -9.008 1.00 0.00 H new ATOM 0 HZ3 LYS A 48 -8.408 -17.249 -9.322 1.00 0.00 H new ATOM 654 N ALA A 49 -13.211 -11.412 -10.215 1.00 0.00 N ATOM 655 CA ALA A 49 -14.269 -10.763 -10.983 1.00 0.00 C ATOM 0 H ALA A 49 -12.995 -10.951 -9.331 1.00 0.00 H new TER 658 ALA A 49