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 Set 1.1: A 24 TYR OH : rot 180:sc= 0 USER MOD Set 1.2: A 28 MET CE :methyl -152:sc= -0.0255 (180deg=-0.45) 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=-0.92) USER MOD Single : A 17 SER OG : rot 76:sc= 1.05 USER MOD Single : A 19 THR OG1 : rot 88:sc= -0.737! USER MOD Single : A 21 MET CE :methyl 167:sc=-0.00742 (180deg=-0.218) 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 130:sc= 0.975! 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 -17.975 1.134 78.519 1.00 0.00 C ATOM 2 C PRO A 6 -18.478 0.156 77.468 1.00 0.00 C ATOM 3 O PRO A 6 -17.781 -0.143 76.501 1.00 0.00 O ATOM 5 N ALA A 7 -19.697 -0.334 77.675 1.00 0.00 N ATOM 6 CA ALA A 7 -20.322 -1.283 76.759 1.00 0.00 C ATOM 7 C ALA A 7 -20.698 -0.595 75.456 1.00 0.00 C ATOM 8 O ALA A 7 -20.578 -1.177 74.380 1.00 0.00 O ATOM 9 CB ALA A 7 -21.583 -1.866 77.378 1.00 0.00 C ATOM 0 H ALA A 7 -20.276 -0.086 78.477 1.00 0.00 H new ATOM 0 HA ALA A 7 -19.604 -2.079 76.562 1.00 0.00 H new ATOM 0 HB1 ALA A 7 -22.037 -2.572 76.682 1.00 0.00 H new ATOM 0 HB2 ALA A 7 -21.329 -2.382 78.304 1.00 0.00 H new ATOM 0 HB3 ALA A 7 -22.288 -1.063 77.592 1.00 0.00 H new ATOM 15 N LYS A 8 -21.152 0.650 75.573 1.00 0.00 N ATOM 16 CA LYS A 8 -21.554 1.445 74.416 1.00 0.00 C ATOM 17 C LYS A 8 -20.458 1.446 73.364 1.00 0.00 C ATOM 18 O LYS A 8 -20.722 1.277 72.176 1.00 0.00 O ATOM 19 CB LYS A 8 -21.828 2.892 74.830 1.00 0.00 C ATOM 20 CG LYS A 8 -22.317 3.780 73.696 1.00 0.00 C ATOM 21 CD LYS A 8 -22.622 5.185 74.188 1.00 0.00 C ATOM 22 CE LYS A 8 -23.097 6.077 73.052 1.00 0.00 C ATOM 23 NZ LYS A 8 -23.412 7.454 73.521 1.00 0.00 N ATOM 0 H LYS A 8 -21.251 1.134 76.466 1.00 0.00 H new ATOM 0 HA LYS A 8 -22.460 0.999 74.005 1.00 0.00 H new ATOM 0 HB2 LYS A 8 -22.572 2.896 75.627 1.00 0.00 H new ATOM 0 HB3 LYS A 8 -20.915 3.319 75.244 1.00 0.00 H new ATOM 0 HG2 LYS A 8 -21.560 3.823 72.913 1.00 0.00 H new ATOM 0 HG3 LYS A 8 -23.212 3.346 73.251 1.00 0.00 H new ATOM 0 HD2 LYS A 8 -23.386 5.143 74.964 1.00 0.00 H new ATOM 0 HD3 LYS A 8 -21.730 5.615 74.642 1.00 0.00 H new ATOM 0 HE2 LYS A 8 -22.328 6.123 72.281 1.00 0.00 H new ATOM 0 HE3 LYS A 8 -23.983 5.639 72.592 1.00 0.00 H new ATOM 0 HZ1 LYS A 8 -23.732 8.030 72.716 1.00 0.00 H new ATOM 0 HZ2 LYS A 8 -24.164 7.413 74.238 1.00 0.00 H new ATOM 0 HZ3 LYS A 8 -22.560 7.883 73.936 1.00 0.00 H new ATOM 37 N ALA A 9 -19.225 1.642 73.820 1.00 0.00 N ATOM 38 CA ALA A 9 -18.063 1.672 72.937 1.00 0.00 C ATOM 39 C ALA A 9 -17.739 0.273 72.436 1.00 0.00 C ATOM 40 O ALA A 9 -17.286 0.097 71.307 1.00 0.00 O ATOM 41 CB ALA A 9 -16.849 2.213 73.677 1.00 0.00 C ATOM 0 H ALA A 9 -19.003 1.784 74.805 1.00 0.00 H new ATOM 0 HA ALA A 9 -18.301 2.320 72.093 1.00 0.00 H new ATOM 0 HB1 ALA A 9 -15.991 2.229 73.005 1.00 0.00 H new ATOM 0 HB2 ALA A 9 -17.056 3.225 74.025 1.00 0.00 H new ATOM 0 HB3 ALA A 9 -16.629 1.573 74.532 1.00 0.00 H new ATOM 47 N ALA A 10 -17.979 -0.714 73.292 1.00 0.00 N ATOM 48 CA ALA A 10 -17.722 -2.113 72.962 1.00 0.00 C ATOM 49 C ALA A 10 -18.680 -2.592 71.884 1.00 0.00 C ATOM 50 O ALA A 10 -18.272 -3.221 70.911 1.00 0.00 O ATOM 51 CB ALA A 10 -17.904 -2.990 74.191 1.00 0.00 C ATOM 0 H ALA A 10 -18.355 -0.570 74.229 1.00 0.00 H new ATOM 0 HA ALA A 10 -16.696 -2.186 72.602 1.00 0.00 H new ATOM 0 HB1 ALA A 10 -17.709 -4.030 73.928 1.00 0.00 H new ATOM 0 HB2 ALA A 10 -17.208 -2.675 74.969 1.00 0.00 H new ATOM 0 HB3 ALA A 10 -18.926 -2.894 74.558 1.00 0.00 H new ATOM 57 N PHE A 11 -19.961 -2.280 72.073 1.00 0.00 N ATOM 58 CA PHE A 11 -21.004 -2.665 71.129 1.00 0.00 C ATOM 59 C PHE A 11 -20.927 -1.814 69.873 1.00 0.00 C ATOM 60 O PHE A 11 -21.058 -2.318 68.759 1.00 0.00 O ATOM 61 CB PHE A 11 -22.388 -2.479 71.754 1.00 0.00 C ATOM 62 CG PHE A 11 -23.519 -2.893 70.857 1.00 0.00 C ATOM 63 CD1 PHE A 11 -23.835 -4.230 70.690 1.00 0.00 C ATOM 64 CD2 PHE A 11 -24.267 -1.946 70.180 1.00 0.00 C ATOM 65 CE1 PHE A 11 -24.876 -4.611 69.864 1.00 0.00 C ATOM 66 CE2 PHE A 11 -25.308 -2.327 69.355 1.00 0.00 C ATOM 67 CZ PHE A 11 -25.614 -3.653 69.195 1.00 0.00 C ATOM 0 H PHE A 11 -20.302 -1.757 72.880 1.00 0.00 H new ATOM 0 HA PHE A 11 -20.850 -3.714 70.875 1.00 0.00 H new ATOM 0 HB2 PHE A 11 -22.440 -3.055 72.678 1.00 0.00 H new ATOM 0 HB3 PHE A 11 -22.516 -1.431 72.025 1.00 0.00 H new ATOM 0 HD1 PHE A 11 -23.262 -4.984 71.210 1.00 0.00 H new ATOM 0 HD2 PHE A 11 -24.035 -0.898 70.298 1.00 0.00 H new ATOM 0 HE1 PHE A 11 -25.113 -5.658 69.741 1.00 0.00 H new ATOM 0 HE2 PHE A 11 -25.883 -1.576 68.834 1.00 0.00 H new ATOM 0 HZ PHE A 11 -26.428 -3.948 68.549 1.00 0.00 H new ATOM 77 N ASP A 12 -20.712 -0.517 70.071 1.00 0.00 N ATOM 78 CA ASP A 12 -20.613 0.437 68.968 1.00 0.00 C ATOM 79 C ASP A 12 -19.299 0.255 68.226 1.00 0.00 C ATOM 80 O ASP A 12 -19.245 0.358 67.003 1.00 0.00 O ATOM 81 CB ASP A 12 -20.678 1.872 69.494 1.00 0.00 C ATOM 82 CG ASP A 12 -20.794 2.896 68.381 1.00 0.00 C ATOM 83 OD1 ASP A 12 -21.741 2.790 67.573 1.00 0.00 O ATOM 84 OD2 ASP A 12 -19.938 3.803 68.317 1.00 0.00 O ATOM 0 H ASP A 12 -20.602 -0.098 70.994 1.00 0.00 H new ATOM 0 HA ASP A 12 -21.448 0.254 68.292 1.00 0.00 H new ATOM 0 HB2 ASP A 12 -21.532 1.971 70.164 1.00 0.00 H new ATOM 0 HB3 ASP A 12 -19.785 2.080 70.083 1.00 0.00 H new ATOM 90 N SER A 13 -18.242 -0.019 68.986 1.00 0.00 N ATOM 91 CA SER A 13 -16.909 -0.222 68.427 1.00 0.00 C ATOM 92 C SER A 13 -16.883 -1.463 67.549 1.00 0.00 C ATOM 93 O SER A 13 -16.337 -1.445 66.447 1.00 0.00 O ATOM 94 CB SER A 13 -15.880 -0.399 69.546 1.00 0.00 C ATOM 95 OG SER A 13 -14.581 -0.598 69.017 1.00 0.00 O ATOM 0 H SER A 13 -18.285 -0.106 70.001 1.00 0.00 H new ATOM 0 HA SER A 13 -16.661 0.657 67.832 1.00 0.00 H new ATOM 0 HB2 SER A 13 -15.883 0.481 70.190 1.00 0.00 H new ATOM 0 HB3 SER A 13 -16.157 -1.250 70.168 1.00 0.00 H new ATOM 0 HG SER A 13 -13.942 -0.707 69.752 1.00 0.00 H new ATOM 101 N LEU A 14 -17.483 -2.538 68.054 1.00 0.00 N ATOM 102 CA LEU A 14 -17.544 -3.807 67.335 1.00 0.00 C ATOM 103 C LEU A 14 -18.373 -3.662 66.070 1.00 0.00 C ATOM 104 O LEU A 14 -17.963 -4.090 64.994 1.00 0.00 O ATOM 105 CB LEU A 14 -18.181 -4.888 68.210 1.00 0.00 C ATOM 106 CG LEU A 14 -18.288 -6.284 67.592 1.00 0.00 C ATOM 107 CD1 LEU A 14 -16.906 -6.853 67.307 1.00 0.00 C ATOM 108 CD2 LEU A 14 -19.008 -7.236 68.536 1.00 0.00 C ATOM 0 H LEU A 14 -17.938 -2.554 68.967 1.00 0.00 H new ATOM 0 HA LEU A 14 -16.524 -4.093 67.078 1.00 0.00 H new ATOM 0 HB2 LEU A 14 -17.605 -4.965 69.132 1.00 0.00 H new ATOM 0 HB3 LEU A 14 -19.183 -4.558 68.486 1.00 0.00 H new ATOM 0 HG LEU A 14 -18.849 -6.187 66.663 1.00 0.00 H new ATOM 0 HD11 LEU A 14 -17.005 -7.846 66.868 1.00 0.00 H new ATOM 0 HD12 LEU A 14 -16.380 -6.199 66.611 1.00 0.00 H new ATOM 0 HD13 LEU A 14 -16.342 -6.922 68.237 1.00 0.00 H new ATOM 0 HD21 LEU A 14 -19.073 -8.223 68.078 1.00 0.00 H new ATOM 0 HD22 LEU A 14 -18.455 -7.307 69.473 1.00 0.00 H new ATOM 0 HD23 LEU A 14 -20.012 -6.861 68.735 1.00 0.00 H new ATOM 120 N GLN A 15 -19.548 -3.051 66.219 1.00 0.00 N ATOM 121 CA GLN A 15 -20.461 -2.835 65.101 1.00 0.00 C ATOM 122 C GLN A 15 -19.757 -2.101 63.971 1.00 0.00 C ATOM 123 O GLN A 15 -19.940 -2.424 62.799 1.00 0.00 O ATOM 124 CB GLN A 15 -21.663 -1.999 65.545 1.00 0.00 C ATOM 125 CG GLN A 15 -22.711 -1.795 64.462 1.00 0.00 C ATOM 126 CD GLN A 15 -23.915 -1.018 64.957 1.00 0.00 C ATOM 127 OE1 GLN A 15 -23.970 -0.611 66.117 1.00 0.00 O ATOM 128 NE2 GLN A 15 -24.886 -0.811 64.075 1.00 0.00 N ATOM 0 H GLN A 15 -19.890 -2.695 67.111 1.00 0.00 H new ATOM 0 HA GLN A 15 -20.797 -3.812 64.754 1.00 0.00 H new ATOM 0 HB2 GLN A 15 -22.131 -2.482 66.402 1.00 0.00 H new ATOM 0 HB3 GLN A 15 -21.310 -1.024 65.882 1.00 0.00 H new ATOM 0 HG2 GLN A 15 -22.262 -1.266 63.622 1.00 0.00 H new ATOM 0 HG3 GLN A 15 -23.037 -2.766 64.090 1.00 0.00 H new ATOM 0 HE21 GLN A 15 -24.796 -1.168 63.124 1.00 0.00 H new ATOM 0 HE22 GLN A 15 -25.722 -0.295 64.349 1.00 0.00 H new ATOM 137 N ALA A 16 -18.949 -1.113 64.345 1.00 0.00 N ATOM 138 CA ALA A 16 -18.199 -0.313 63.380 1.00 0.00 C ATOM 139 C ALA A 16 -17.059 -1.123 62.787 1.00 0.00 C ATOM 140 O ALA A 16 -16.876 -1.161 61.572 1.00 0.00 O ATOM 141 CB ALA A 16 -17.614 0.919 64.053 1.00 0.00 C ATOM 0 H ALA A 16 -18.796 -0.845 65.317 1.00 0.00 H new ATOM 0 HA ALA A 16 -18.888 -0.013 62.590 1.00 0.00 H new ATOM 0 HB1 ALA A 16 -17.058 1.504 63.321 1.00 0.00 H new ATOM 0 HB2 ALA A 16 -18.420 1.525 64.466 1.00 0.00 H new ATOM 0 HB3 ALA A 16 -16.944 0.611 64.856 1.00 0.00 H new ATOM 147 N SER A 17 -16.295 -1.769 63.664 1.00 0.00 N ATOM 148 CA SER A 17 -15.160 -2.591 63.255 1.00 0.00 C ATOM 149 C SER A 17 -15.607 -3.667 62.278 1.00 0.00 C ATOM 150 O SER A 17 -15.064 -3.785 61.182 1.00 0.00 O ATOM 151 CB SER A 17 -14.527 -3.273 64.470 1.00 0.00 C ATOM 152 OG SER A 17 -13.946 -2.321 65.344 1.00 0.00 O ATOM 0 H SER A 17 -16.444 -1.738 64.673 1.00 0.00 H new ATOM 0 HA SER A 17 -14.431 -1.937 62.777 1.00 0.00 H new ATOM 0 HB2 SER A 17 -15.284 -3.847 65.004 1.00 0.00 H new ATOM 0 HB3 SER A 17 -13.766 -3.979 64.139 1.00 0.00 H new ATOM 0 HG SER A 17 -14.652 -1.872 65.854 1.00 0.00 H new ATOM 158 N ALA A 18 -16.604 -4.443 62.691 1.00 0.00 N ATOM 159 CA ALA A 18 -17.148 -5.519 61.870 1.00 0.00 C ATOM 160 C ALA A 18 -17.909 -4.951 60.684 1.00 0.00 C ATOM 161 O ALA A 18 -17.973 -5.568 59.622 1.00 0.00 O ATOM 162 CB ALA A 18 -18.100 -6.379 62.686 1.00 0.00 C ATOM 0 H ALA A 18 -17.056 -4.345 63.600 1.00 0.00 H new ATOM 0 HA ALA A 18 -16.313 -6.124 61.517 1.00 0.00 H new ATOM 0 HB1 ALA A 18 -18.497 -7.177 62.059 1.00 0.00 H new ATOM 0 HB2 ALA A 18 -17.565 -6.813 63.531 1.00 0.00 H new ATOM 0 HB3 ALA A 18 -18.921 -5.764 63.054 1.00 0.00 H new ATOM 168 N THR A 19 -18.488 -3.768 60.883 1.00 0.00 N ATOM 169 CA THR A 19 -19.255 -3.091 59.844 1.00 0.00 C ATOM 170 C THR A 19 -18.327 -2.506 58.792 1.00 0.00 C ATOM 171 O THR A 19 -18.494 -2.745 57.598 1.00 0.00 O ATOM 172 CB THR A 19 -20.098 -1.940 60.424 1.00 0.00 C ATOM 173 OG1 THR A 19 -21.039 -2.462 61.370 1.00 0.00 O ATOM 174 CG2 THR A 19 -20.857 -1.225 59.317 1.00 0.00 C ATOM 0 H THR A 19 -18.438 -3.256 61.764 1.00 0.00 H new ATOM 0 HA THR A 19 -19.914 -3.838 59.400 1.00 0.00 H new ATOM 0 HB THR A 19 -19.428 -1.233 60.913 1.00 0.00 H new ATOM 0 HG1 THR A 19 -20.626 -2.494 62.258 1.00 0.00 H new ATOM 0 HG21 THR A 19 -21.447 -0.415 59.745 1.00 0.00 H new ATOM 0 HG22 THR A 19 -20.149 -0.816 58.596 1.00 0.00 H new ATOM 0 HG23 THR A 19 -21.519 -1.931 58.816 1.00 0.00 H new ATOM 182 N GLU A 20 -17.345 -1.735 59.256 1.00 0.00 N ATOM 183 CA GLU A 20 -16.369 -1.099 58.375 1.00 0.00 C ATOM 184 C GLU A 20 -15.565 -2.147 57.627 1.00 0.00 C ATOM 185 O GLU A 20 -15.306 -2.013 56.434 1.00 0.00 O ATOM 186 CB GLU A 20 -15.401 -0.234 59.184 1.00 0.00 C ATOM 187 CG GLU A 20 -16.034 1.010 59.785 1.00 0.00 C ATOM 188 CD GLU A 20 -15.059 1.814 60.623 1.00 0.00 C ATOM 189 OE1 GLU A 20 -13.901 1.371 60.775 1.00 0.00 O ATOM 190 OE2 GLU A 20 -15.453 2.887 61.127 1.00 0.00 O ATOM 0 H GLU A 20 -17.204 -1.535 60.246 1.00 0.00 H new ATOM 0 HA GLU A 20 -16.917 -0.478 57.666 1.00 0.00 H new ATOM 0 HB2 GLU A 20 -14.976 -0.837 59.987 1.00 0.00 H new ATOM 0 HB3 GLU A 20 -14.575 0.067 58.540 1.00 0.00 H new ATOM 0 HG2 GLU A 20 -16.423 1.638 58.984 1.00 0.00 H new ATOM 0 HG3 GLU A 20 -16.884 0.719 60.402 1.00 0.00 H new ATOM 198 N MET A 21 -15.173 -3.194 58.349 1.00 0.00 N ATOM 199 CA MET A 21 -14.393 -4.288 57.777 1.00 0.00 C ATOM 200 C MET A 21 -15.199 -5.025 56.721 1.00 0.00 C ATOM 201 O MET A 21 -14.665 -5.443 55.697 1.00 0.00 O ATOM 202 CB MET A 21 -13.995 -5.288 58.864 1.00 0.00 C ATOM 203 CG MET A 21 -13.107 -6.419 58.372 1.00 0.00 C ATOM 204 SD MET A 21 -12.636 -7.557 59.689 1.00 0.00 S ATOM 205 CE MET A 21 -14.198 -8.373 60.008 1.00 0.00 C ATOM 0 H MET A 21 -15.385 -3.308 59.340 1.00 0.00 H new ATOM 0 HA MET A 21 -13.500 -3.856 57.325 1.00 0.00 H new ATOM 0 HB2 MET A 21 -13.477 -4.755 59.661 1.00 0.00 H new ATOM 0 HB3 MET A 21 -14.899 -5.714 59.300 1.00 0.00 H new ATOM 0 HG2 MET A 21 -13.628 -6.971 57.590 1.00 0.00 H new ATOM 0 HG3 MET A 21 -12.208 -6.000 57.921 1.00 0.00 H new ATOM 0 HE1 MET A 21 -14.028 -9.255 60.626 1.00 0.00 H new ATOM 0 HE2 MET A 21 -14.866 -7.688 60.530 1.00 0.00 H new ATOM 0 HE3 MET A 21 -14.651 -8.673 59.063 1.00 0.00 H new ATOM 215 N ILE A 22 -16.494 -5.174 56.988 1.00 0.00 N ATOM 216 CA ILE A 22 -17.404 -5.858 56.075 1.00 0.00 C ATOM 217 C ILE A 22 -17.393 -5.189 54.711 1.00 0.00 C ATOM 218 O ILE A 22 -17.563 -5.845 53.685 1.00 0.00 O ATOM 219 CB ILE A 22 -18.852 -5.837 56.600 1.00 0.00 C ATOM 220 CG1 ILE A 22 -19.710 -6.848 55.837 1.00 0.00 C ATOM 221 CG2 ILE A 22 -19.462 -4.456 56.424 1.00 0.00 C ATOM 222 CD1 ILE A 22 -21.055 -7.113 56.477 1.00 0.00 C ATOM 0 H ILE A 22 -16.939 -4.826 57.837 1.00 0.00 H new ATOM 0 HA ILE A 22 -17.059 -6.889 55.998 1.00 0.00 H new ATOM 0 HB ILE A 22 -18.827 -6.096 57.658 1.00 0.00 H new ATOM 0 HG12 ILE A 22 -19.867 -6.484 54.821 1.00 0.00 H new ATOM 0 HG13 ILE A 22 -19.164 -7.788 55.758 1.00 0.00 H new ATOM 0 HG21 ILE A 22 -20.485 -4.459 56.800 1.00 0.00 H new ATOM 0 HG22 ILE A 22 -18.874 -3.725 56.979 1.00 0.00 H new ATOM 0 HG23 ILE A 22 -19.465 -4.192 55.367 1.00 0.00 H new ATOM 0 HD11 ILE A 22 -21.606 -7.839 55.879 1.00 0.00 H new ATOM 0 HD12 ILE A 22 -20.908 -7.507 57.483 1.00 0.00 H new ATOM 0 HD13 ILE A 22 -21.622 -6.183 56.531 1.00 0.00 H new ATOM 234 N GLY A 23 -17.190 -3.874 54.717 1.00 0.00 N ATOM 235 CA GLY A 23 -17.150 -3.085 53.490 1.00 0.00 C ATOM 236 C GLY A 23 -15.876 -3.374 52.711 1.00 0.00 C ATOM 237 O GLY A 23 -15.868 -3.340 51.483 1.00 0.00 O ATOM 0 H GLY A 23 -17.049 -3.329 55.567 1.00 0.00 H new ATOM 0 HA2 GLY A 23 -18.020 -3.315 52.874 1.00 0.00 H new ATOM 0 HA3 GLY A 23 -17.202 -2.023 53.732 1.00 0.00 H new ATOM 241 N TYR A 24 -14.807 -3.658 53.446 1.00 0.00 N ATOM 242 CA TYR A 24 -13.508 -3.959 52.850 1.00 0.00 C ATOM 243 C TYR A 24 -13.574 -5.250 52.054 1.00 0.00 C ATOM 244 O TYR A 24 -13.096 -5.321 50.924 1.00 0.00 O ATOM 245 CB TYR A 24 -12.443 -4.116 53.937 1.00 0.00 C ATOM 246 CG TYR A 24 -11.067 -4.444 53.404 1.00 0.00 C ATOM 247 CD1 TYR A 24 -10.267 -3.456 52.844 1.00 0.00 C ATOM 248 CD2 TYR A 24 -10.572 -5.740 53.462 1.00 0.00 C ATOM 249 CE1 TYR A 24 -9.008 -3.746 52.354 1.00 0.00 C ATOM 250 CE2 TYR A 24 -9.315 -6.049 52.977 1.00 0.00 C ATOM 251 CZ TYR A 24 -8.533 -5.038 52.420 1.00 0.00 C ATOM 252 OH TYR A 24 -7.280 -5.330 51.933 1.00 0.00 O ATOM 0 H TYR A 24 -14.814 -3.686 54.466 1.00 0.00 H new ATOM 0 HA TYR A 24 -13.246 -3.131 52.191 1.00 0.00 H new ATOM 0 HB2 TYR A 24 -12.388 -3.193 54.514 1.00 0.00 H new ATOM 0 HB3 TYR A 24 -12.753 -4.903 54.624 1.00 0.00 H new ATOM 0 HD1 TYR A 24 -10.636 -2.442 52.791 1.00 0.00 H new ATOM 0 HD2 TYR A 24 -11.180 -6.521 53.894 1.00 0.00 H new ATOM 0 HE1 TYR A 24 -8.400 -2.965 51.922 1.00 0.00 H new ATOM 0 HE2 TYR A 24 -8.943 -7.062 53.029 1.00 0.00 H new ATOM 0 HH TYR A 24 -7.096 -6.285 52.056 1.00 0.00 H new ATOM 262 N ALA A 25 -14.176 -6.270 52.660 1.00 0.00 N ATOM 263 CA ALA A 25 -14.323 -7.579 52.029 1.00 0.00 C ATOM 264 C ALA A 25 -15.113 -7.463 50.737 1.00 0.00 C ATOM 265 O ALA A 25 -14.705 -7.979 49.699 1.00 0.00 O ATOM 266 CB ALA A 25 -15.056 -8.536 52.957 1.00 0.00 C ATOM 0 H ALA A 25 -14.574 -6.214 53.597 1.00 0.00 H new ATOM 0 HA ALA A 25 -13.324 -7.960 51.817 1.00 0.00 H new ATOM 0 HB1 ALA A 25 -15.157 -9.507 52.472 1.00 0.00 H new ATOM 0 HB2 ALA A 25 -14.491 -8.650 53.882 1.00 0.00 H new ATOM 0 HB3 ALA A 25 -16.045 -8.138 53.182 1.00 0.00 H new ATOM 272 N TRP A 26 -16.251 -6.776 50.820 1.00 0.00 N ATOM 273 CA TRP A 26 -17.123 -6.574 49.668 1.00 0.00 C ATOM 274 C TRP A 26 -16.406 -5.784 48.587 1.00 0.00 C ATOM 275 O TRP A 26 -16.495 -6.106 47.404 1.00 0.00 O ATOM 276 CB TRP A 26 -18.380 -5.802 50.076 1.00 0.00 C ATOM 277 CG TRP A 26 -19.331 -5.564 48.944 1.00 0.00 C ATOM 278 CD1 TRP A 26 -19.532 -4.391 48.275 1.00 0.00 C ATOM 279 CD2 TRP A 26 -20.212 -6.524 48.346 1.00 0.00 C ATOM 280 NE1 TRP A 26 -20.484 -4.559 47.298 1.00 0.00 N ATOM 281 CE2 TRP A 26 -20.917 -5.861 47.322 1.00 0.00 C ATOM 282 CE3 TRP A 26 -20.474 -7.877 48.577 1.00 0.00 C ATOM 283 CZ2 TRP A 26 -21.866 -6.506 46.530 1.00 0.00 C ATOM 284 CZ3 TRP A 26 -21.415 -8.513 47.790 1.00 0.00 C ATOM 285 CH2 TRP A 26 -22.101 -7.830 46.779 1.00 0.00 C ATOM 0 H TRP A 26 -16.591 -6.348 51.681 1.00 0.00 H new ATOM 0 HA TRP A 26 -17.399 -7.557 49.286 1.00 0.00 H new ATOM 0 HB2 TRP A 26 -18.895 -6.353 50.863 1.00 0.00 H new ATOM 0 HB3 TRP A 26 -18.085 -4.842 50.500 1.00 0.00 H new ATOM 0 HD1 TRP A 26 -19.017 -3.465 48.483 1.00 0.00 H new ATOM 0 HE1 TRP A 26 -20.814 -3.835 46.660 1.00 0.00 H new ATOM 0 HE3 TRP A 26 -19.952 -8.415 49.355 1.00 0.00 H new ATOM 0 HZ2 TRP A 26 -22.395 -5.980 45.749 1.00 0.00 H new ATOM 0 HZ3 TRP A 26 -21.626 -9.559 47.958 1.00 0.00 H new ATOM 0 HH2 TRP A 26 -22.830 -8.359 46.184 1.00 0.00 H new ATOM 296 N ALA A 27 -15.690 -4.745 49.012 1.00 0.00 N ATOM 297 CA ALA A 27 -14.942 -3.887 48.099 1.00 0.00 C ATOM 298 C ALA A 27 -13.795 -4.659 47.463 1.00 0.00 C ATOM 299 O ALA A 27 -13.584 -4.590 46.255 1.00 0.00 O ATOM 300 CB ALA A 27 -14.365 -2.694 48.845 1.00 0.00 C ATOM 0 H ALA A 27 -15.613 -4.476 49.993 1.00 0.00 H new ATOM 0 HA ALA A 27 -15.629 -3.543 47.326 1.00 0.00 H new ATOM 0 HB1 ALA A 27 -13.810 -2.064 48.150 1.00 0.00 H new ATOM 0 HB2 ALA A 27 -15.175 -2.117 49.290 1.00 0.00 H new ATOM 0 HB3 ALA A 27 -13.695 -3.045 49.630 1.00 0.00 H new ATOM 306 N MET A 28 -13.060 -5.389 48.297 1.00 0.00 N ATOM 307 CA MET A 28 -11.926 -6.188 47.843 1.00 0.00 C ATOM 308 C MET A 28 -12.402 -7.361 47.003 1.00 0.00 C ATOM 309 O MET A 28 -11.902 -7.598 45.906 1.00 0.00 O ATOM 310 CB MET A 28 -11.144 -6.736 49.038 1.00 0.00 C ATOM 311 CG MET A 28 -10.402 -5.675 49.834 1.00 0.00 C ATOM 312 SD MET A 28 -9.158 -4.813 48.855 1.00 0.00 S ATOM 313 CE MET A 28 -7.966 -6.124 48.592 1.00 0.00 C ATOM 0 H MET A 28 -13.232 -5.443 49.301 1.00 0.00 H new ATOM 0 HA MET A 28 -11.284 -5.542 47.245 1.00 0.00 H new ATOM 0 HB2 MET A 28 -11.834 -7.257 49.702 1.00 0.00 H new ATOM 0 HB3 MET A 28 -10.427 -7.475 48.681 1.00 0.00 H new ATOM 0 HG2 MET A 28 -11.118 -4.951 50.222 1.00 0.00 H new ATOM 0 HG3 MET A 28 -9.922 -6.142 50.694 1.00 0.00 H new ATOM 0 HE1 MET A 28 -6.973 -5.693 48.467 1.00 0.00 H new ATOM 0 HE2 MET A 28 -7.965 -6.793 49.452 1.00 0.00 H new ATOM 0 HE3 MET A 28 -8.234 -6.685 47.696 1.00 0.00 H new ATOM 323 N VAL A 29 -13.378 -8.092 47.538 1.00 0.00 N ATOM 324 CA VAL A 29 -13.946 -9.252 46.858 1.00 0.00 C ATOM 325 C VAL A 29 -14.626 -8.832 45.566 1.00 0.00 C ATOM 326 O VAL A 29 -14.398 -9.420 44.512 1.00 0.00 O ATOM 327 CB VAL A 29 -14.994 -9.963 47.735 1.00 0.00 C ATOM 328 CG1 VAL A 29 -15.717 -11.036 46.935 1.00 0.00 C ATOM 329 CG2 VAL A 29 -14.327 -10.623 48.932 1.00 0.00 C ATOM 0 H VAL A 29 -13.794 -7.898 48.449 1.00 0.00 H new ATOM 0 HA VAL A 29 -13.120 -9.933 46.652 1.00 0.00 H new ATOM 0 HB VAL A 29 -15.707 -9.212 48.076 1.00 0.00 H new ATOM 0 HG11 VAL A 29 -16.454 -11.528 47.570 1.00 0.00 H new ATOM 0 HG12 VAL A 29 -16.220 -10.578 46.083 1.00 0.00 H new ATOM 0 HG13 VAL A 29 -14.996 -11.772 46.578 1.00 0.00 H new ATOM 0 HG21 VAL A 29 -15.082 -11.121 49.541 1.00 0.00 H new ATOM 0 HG22 VAL A 29 -13.600 -11.357 48.584 1.00 0.00 H new ATOM 0 HG23 VAL A 29 -13.821 -9.865 49.530 1.00 0.00 H new ATOM 339 N VAL A 30 -15.466 -7.806 45.666 1.00 0.00 N ATOM 340 CA VAL A 30 -16.198 -7.281 44.518 1.00 0.00 C ATOM 341 C VAL A 30 -15.236 -6.867 43.416 1.00 0.00 C ATOM 342 O VAL A 30 -15.476 -7.126 42.239 1.00 0.00 O ATOM 343 CB VAL A 30 -17.038 -6.048 44.900 1.00 0.00 C ATOM 344 CG1 VAL A 30 -17.623 -5.396 43.657 1.00 0.00 C ATOM 345 CG2 VAL A 30 -18.184 -6.448 45.817 1.00 0.00 C ATOM 0 H VAL A 30 -15.658 -7.317 46.540 1.00 0.00 H new ATOM 0 HA VAL A 30 -16.856 -8.078 44.172 1.00 0.00 H new ATOM 0 HB VAL A 30 -16.382 -5.345 45.413 1.00 0.00 H new ATOM 0 HG11 VAL A 30 -18.213 -4.527 43.946 1.00 0.00 H new ATOM 0 HG12 VAL A 30 -16.815 -5.083 42.996 1.00 0.00 H new ATOM 0 HG13 VAL A 30 -18.261 -6.111 43.137 1.00 0.00 H new ATOM 0 HG21 VAL A 30 -18.767 -5.565 46.077 1.00 0.00 H new ATOM 0 HG22 VAL A 30 -18.824 -7.168 45.307 1.00 0.00 H new ATOM 0 HG23 VAL A 30 -17.783 -6.898 46.725 1.00 0.00 H new ATOM 355 N VAL A 31 -14.146 -6.220 43.820 1.00 0.00 N ATOM 356 CA VAL A 31 -13.124 -5.753 42.886 1.00 0.00 C ATOM 357 C VAL A 31 -12.304 -6.924 42.367 1.00 0.00 C ATOM 358 O VAL A 31 -12.076 -7.051 41.167 1.00 0.00 O ATOM 359 CB VAL A 31 -12.159 -4.758 43.557 1.00 0.00 C ATOM 360 CG1 VAL A 31 -11.001 -4.429 42.626 1.00 0.00 C ATOM 361 CG2 VAL A 31 -12.881 -3.465 43.901 1.00 0.00 C ATOM 0 H VAL A 31 -13.946 -6.005 44.797 1.00 0.00 H new ATOM 0 HA VAL A 31 -13.645 -5.258 42.067 1.00 0.00 H new ATOM 0 HB VAL A 31 -11.782 -5.224 44.467 1.00 0.00 H new ATOM 0 HG11 VAL A 31 -10.329 -3.725 43.116 1.00 0.00 H new ATOM 0 HG12 VAL A 31 -10.457 -5.342 42.385 1.00 0.00 H new ATOM 0 HG13 VAL A 31 -11.387 -3.984 41.709 1.00 0.00 H new ATOM 0 HG21 VAL A 31 -12.184 -2.774 44.374 1.00 0.00 H new ATOM 0 HG22 VAL A 31 -13.276 -3.015 42.990 1.00 0.00 H new ATOM 0 HG23 VAL A 31 -13.702 -3.678 44.586 1.00 0.00 H new ATOM 371 N ILE A 32 -11.868 -7.774 43.292 1.00 0.00 N ATOM 372 CA ILE A 32 -11.067 -8.948 42.957 1.00 0.00 C ATOM 373 C ILE A 32 -11.852 -9.886 42.055 1.00 0.00 C ATOM 374 O ILE A 32 -11.370 -10.297 41.001 1.00 0.00 O ATOM 375 CB ILE A 32 -10.660 -9.733 44.218 1.00 0.00 C ATOM 376 CG1 ILE A 32 -9.686 -8.912 45.066 1.00 0.00 C ATOM 377 CG2 ILE A 32 -9.985 -11.041 43.837 1.00 0.00 C ATOM 378 CD1 ILE A 32 -9.427 -9.497 46.437 1.00 0.00 C ATOM 0 H ILE A 32 -12.058 -7.670 44.289 1.00 0.00 H new ATOM 0 HA ILE A 32 -10.173 -8.587 42.449 1.00 0.00 H new ATOM 0 HB ILE A 32 -11.565 -9.939 44.789 1.00 0.00 H new ATOM 0 HG12 ILE A 32 -8.739 -8.826 44.533 1.00 0.00 H new ATOM 0 HG13 ILE A 32 -10.081 -7.902 45.181 1.00 0.00 H new ATOM 0 HG21 ILE A 32 -9.704 -11.582 44.741 1.00 0.00 H new ATOM 0 HG22 ILE A 32 -10.674 -11.648 43.249 1.00 0.00 H new ATOM 0 HG23 ILE A 32 -9.092 -10.832 43.247 1.00 0.00 H new ATOM 0 HD11 ILE A 32 -8.728 -8.860 46.978 1.00 0.00 H new ATOM 0 HD12 ILE A 32 -10.365 -9.558 46.990 1.00 0.00 H new ATOM 0 HD13 ILE A 32 -9.002 -10.495 46.332 1.00 0.00 H new ATOM 390 N VAL A 33 -13.065 -10.219 42.487 1.00 0.00 N ATOM 391 CA VAL A 33 -13.944 -11.111 41.737 1.00 0.00 C ATOM 392 C VAL A 33 -14.533 -10.390 40.535 1.00 0.00 C ATOM 393 O VAL A 33 -14.523 -10.909 39.421 1.00 0.00 O ATOM 394 CB VAL A 33 -15.111 -11.615 42.606 1.00 0.00 C ATOM 395 CG1 VAL A 33 -16.110 -12.389 41.759 1.00 0.00 C ATOM 396 CG2 VAL A 33 -14.599 -12.533 43.705 1.00 0.00 C ATOM 0 H VAL A 33 -13.465 -9.880 43.362 1.00 0.00 H new ATOM 0 HA VAL A 33 -13.337 -11.958 41.416 1.00 0.00 H new ATOM 0 HB VAL A 33 -15.596 -10.745 43.048 1.00 0.00 H new ATOM 0 HG11 VAL A 33 -16.928 -12.738 42.389 1.00 0.00 H new ATOM 0 HG12 VAL A 33 -16.505 -11.739 40.978 1.00 0.00 H new ATOM 0 HG13 VAL A 33 -15.613 -13.245 41.302 1.00 0.00 H new ATOM 0 HG21 VAL A 33 -15.437 -12.880 44.309 1.00 0.00 H new ATOM 0 HG22 VAL A 33 -14.095 -13.390 43.258 1.00 0.00 H new ATOM 0 HG23 VAL A 33 -13.897 -11.988 44.337 1.00 0.00 H new ATOM 406 N GLY A 34 -15.049 -9.189 40.782 1.00 0.00 N ATOM 407 CA GLY A 34 -15.654 -8.370 39.735 1.00 0.00 C ATOM 408 C GLY A 34 -14.579 -7.765 38.847 1.00 0.00 C ATOM 409 O GLY A 34 -14.623 -7.896 37.626 1.00 0.00 O ATOM 0 H GLY A 34 -15.060 -8.758 41.707 1.00 0.00 H new ATOM 0 HA2 GLY A 34 -16.331 -8.978 39.135 1.00 0.00 H new ATOM 0 HA3 GLY A 34 -16.252 -7.577 40.185 1.00 0.00 H new ATOM 413 N ALA A 35 -13.618 -7.100 39.480 1.00 0.00 N ATOM 414 CA ALA A 35 -12.514 -6.459 38.770 1.00 0.00 C ATOM 415 C ALA A 35 -11.566 -7.505 38.203 1.00 0.00 C ATOM 416 O ALA A 35 -11.286 -7.520 37.007 1.00 0.00 O ATOM 417 CB ALA A 35 -11.730 -5.558 39.712 1.00 0.00 C ATOM 0 H ALA A 35 -13.581 -6.990 40.493 1.00 0.00 H new ATOM 0 HA ALA A 35 -12.938 -5.867 37.959 1.00 0.00 H new ATOM 0 HB1 ALA A 35 -10.911 -5.088 39.168 1.00 0.00 H new ATOM 0 HB2 ALA A 35 -12.390 -4.788 40.112 1.00 0.00 H new ATOM 0 HB3 ALA A 35 -11.327 -6.152 40.532 1.00 0.00 H new ATOM 423 N THR A 36 -11.082 -8.379 39.082 1.00 0.00 N ATOM 424 CA THR A 36 -10.160 -9.444 38.697 1.00 0.00 C ATOM 425 C THR A 36 -10.834 -10.406 37.734 1.00 0.00 C ATOM 426 O THR A 36 -10.334 -10.658 36.640 1.00 0.00 O ATOM 427 CB THR A 36 -9.687 -10.251 39.921 1.00 0.00 C ATOM 428 OG1 THR A 36 -8.998 -9.385 40.831 1.00 0.00 O ATOM 429 CG2 THR A 36 -8.745 -11.365 39.492 1.00 0.00 C ATOM 0 H THR A 36 -11.316 -8.370 40.075 1.00 0.00 H new ATOM 0 HA THR A 36 -9.302 -8.966 38.223 1.00 0.00 H new ATOM 0 HB THR A 36 -10.560 -10.687 40.407 1.00 0.00 H new ATOM 0 HG1 THR A 36 -8.320 -9.897 41.319 1.00 0.00 H new ATOM 0 HG21 THR A 36 -8.421 -11.925 40.369 1.00 0.00 H new ATOM 0 HG22 THR A 36 -9.262 -12.035 38.805 1.00 0.00 H new ATOM 0 HG23 THR A 36 -7.876 -10.935 38.994 1.00 0.00 H new ATOM 437 N ILE A 37 -11.975 -10.940 38.158 1.00 0.00 N ATOM 438 CA ILE A 37 -12.745 -11.883 37.351 1.00 0.00 C ATOM 439 C ILE A 37 -13.446 -11.160 36.212 1.00 0.00 C ATOM 440 O ILE A 37 -13.557 -11.685 35.105 1.00 0.00 O ATOM 441 CB ILE A 37 -13.820 -12.598 38.191 1.00 0.00 C ATOM 442 CG1 ILE A 37 -13.165 -13.511 39.230 1.00 0.00 C ATOM 443 CG2 ILE A 37 -14.714 -13.446 37.300 1.00 0.00 C ATOM 444 CD1 ILE A 37 -14.132 -14.061 40.255 1.00 0.00 C ATOM 0 H ILE A 37 -12.391 -10.733 39.066 1.00 0.00 H new ATOM 0 HA ILE A 37 -12.039 -12.617 36.962 1.00 0.00 H new ATOM 0 HB ILE A 37 -14.415 -11.834 38.692 1.00 0.00 H new ATOM 0 HG12 ILE A 37 -12.682 -14.343 38.717 1.00 0.00 H new ATOM 0 HG13 ILE A 37 -12.381 -12.956 39.745 1.00 0.00 H new ATOM 0 HG21 ILE A 37 -15.468 -13.944 37.910 1.00 0.00 H new ATOM 0 HG22 ILE A 37 -15.205 -12.808 36.565 1.00 0.00 H new ATOM 0 HG23 ILE A 37 -14.111 -14.194 36.786 1.00 0.00 H new ATOM 0 HD11 ILE A 37 -13.594 -14.699 40.957 1.00 0.00 H new ATOM 0 HD12 ILE A 37 -14.597 -13.237 40.796 1.00 0.00 H new ATOM 0 HD13 ILE A 37 -14.903 -14.645 39.752 1.00 0.00 H new ATOM 456 N GLY A 38 -13.917 -9.950 36.502 1.00 0.00 N ATOM 457 CA GLY A 38 -14.614 -9.126 35.517 1.00 0.00 C ATOM 458 C GLY A 38 -13.659 -8.682 34.422 1.00 0.00 C ATOM 459 O GLY A 38 -13.968 -8.780 33.236 1.00 0.00 O ATOM 0 H GLY A 38 -13.827 -9.515 37.420 1.00 0.00 H new ATOM 0 HA2 GLY A 38 -15.439 -9.690 35.081 1.00 0.00 H new ATOM 0 HA3 GLY A 38 -15.047 -8.253 36.006 1.00 0.00 H new ATOM 463 N ILE A 39 -12.495 -8.192 34.839 1.00 0.00 N ATOM 464 CA ILE A 39 -11.471 -7.722 33.913 1.00 0.00 C ATOM 465 C ILE A 39 -11.043 -8.841 32.976 1.00 0.00 C ATOM 466 O ILE A 39 -10.875 -8.631 31.777 1.00 0.00 O ATOM 467 CB ILE A 39 -10.219 -7.227 34.660 1.00 0.00 C ATOM 468 CG1 ILE A 39 -10.537 -5.957 35.452 1.00 0.00 C ATOM 469 CG2 ILE A 39 -9.101 -6.914 33.677 1.00 0.00 C ATOM 470 CD1 ILE A 39 -11.000 -4.801 34.592 1.00 0.00 C ATOM 0 H ILE A 39 -12.237 -8.110 35.822 1.00 0.00 H new ATOM 0 HA ILE A 39 -11.910 -6.899 33.349 1.00 0.00 H new ATOM 0 HB ILE A 39 -9.902 -8.018 35.340 1.00 0.00 H new ATOM 0 HG12 ILE A 39 -11.309 -6.182 36.188 1.00 0.00 H new ATOM 0 HG13 ILE A 39 -9.648 -5.653 36.005 1.00 0.00 H new ATOM 0 HG21 ILE A 39 -8.224 -6.565 34.222 1.00 0.00 H new ATOM 0 HG22 ILE A 39 -8.846 -7.814 33.117 1.00 0.00 H new ATOM 0 HG23 ILE A 39 -9.431 -6.138 32.986 1.00 0.00 H new ATOM 0 HD11 ILE A 39 -11.206 -3.937 35.224 1.00 0.00 H new ATOM 0 HD12 ILE A 39 -10.221 -4.547 33.873 1.00 0.00 H new ATOM 0 HD13 ILE A 39 -11.907 -5.085 34.058 1.00 0.00 H new ATOM 482 N LYS A 40 -10.871 -10.031 33.545 1.00 0.00 N ATOM 483 CA LYS A 40 -10.462 -11.208 32.782 1.00 0.00 C ATOM 484 C LYS A 40 -11.434 -11.466 31.643 1.00 0.00 C ATOM 485 O LYS A 40 -11.027 -11.730 30.514 1.00 0.00 O ATOM 486 CB LYS A 40 -10.430 -12.445 33.681 1.00 0.00 C ATOM 487 CG LYS A 40 -9.965 -13.711 32.980 1.00 0.00 C ATOM 488 CD LYS A 40 -9.904 -14.885 33.943 1.00 0.00 C ATOM 489 CE LYS A 40 -9.453 -16.154 33.238 1.00 0.00 C ATOM 490 NZ LYS A 40 -9.377 -17.311 34.172 1.00 0.00 N ATOM 0 H LYS A 40 -11.010 -10.207 34.540 1.00 0.00 H new ATOM 0 HA LYS A 40 -9.466 -11.016 32.383 1.00 0.00 H new ATOM 0 HB2 LYS A 40 -9.772 -12.249 34.527 1.00 0.00 H new ATOM 0 HB3 LYS A 40 -11.428 -12.613 34.086 1.00 0.00 H new ATOM 0 HG2 LYS A 40 -10.644 -13.945 32.160 1.00 0.00 H new ATOM 0 HG3 LYS A 40 -8.981 -13.546 32.542 1.00 0.00 H new ATOM 0 HD2 LYS A 40 -9.217 -14.655 34.757 1.00 0.00 H new ATOM 0 HD3 LYS A 40 -10.886 -15.044 34.389 1.00 0.00 H new ATOM 0 HE2 LYS A 40 -10.146 -16.386 32.429 1.00 0.00 H new ATOM 0 HE3 LYS A 40 -8.476 -15.989 32.784 1.00 0.00 H new ATOM 0 HZ1 LYS A 40 -9.066 -18.157 33.653 1.00 0.00 H new ATOM 0 HZ2 LYS A 40 -8.697 -17.101 34.930 1.00 0.00 H new ATOM 0 HZ3 LYS A 40 -10.315 -17.485 34.586 1.00 0.00 H new ATOM 504 N LEU A 41 -12.724 -11.388 31.958 1.00 0.00 N ATOM 505 CA LEU A 41 -13.782 -11.610 30.978 1.00 0.00 C ATOM 506 C LEU A 41 -13.599 -10.693 29.780 1.00 0.00 C ATOM 507 O LEU A 41 -13.912 -11.060 28.650 1.00 0.00 O ATOM 508 CB LEU A 41 -15.153 -11.329 31.597 1.00 0.00 C ATOM 509 CG LEU A 41 -16.369 -11.677 30.736 1.00 0.00 C ATOM 510 CD1 LEU A 41 -16.423 -13.172 30.461 1.00 0.00 C ATOM 511 CD2 LEU A 41 -17.657 -11.276 31.438 1.00 0.00 C ATOM 0 H LEU A 41 -13.064 -11.170 32.895 1.00 0.00 H new ATOM 0 HA LEU A 41 -13.726 -12.651 30.659 1.00 0.00 H new ATOM 0 HB2 LEU A 41 -15.226 -11.883 32.533 1.00 0.00 H new ATOM 0 HB3 LEU A 41 -15.204 -10.270 31.849 1.00 0.00 H new ATOM 0 HG LEU A 41 -16.271 -11.130 29.798 1.00 0.00 H new ATOM 0 HD11 LEU A 41 -17.295 -13.398 29.847 1.00 0.00 H new ATOM 0 HD12 LEU A 41 -15.519 -13.478 29.934 1.00 0.00 H new ATOM 0 HD13 LEU A 41 -16.493 -13.713 31.405 1.00 0.00 H new ATOM 0 HD21 LEU A 41 -18.509 -11.532 30.809 1.00 0.00 H new ATOM 0 HD22 LEU A 41 -17.734 -11.806 32.387 1.00 0.00 H new ATOM 0 HD23 LEU A 41 -17.652 -10.202 31.622 1.00 0.00 H new ATOM 523 N PHE A 42 -13.087 -9.494 30.046 1.00 0.00 N ATOM 524 CA PHE A 42 -12.849 -8.499 29.005 1.00 0.00 C ATOM 525 C PHE A 42 -11.846 -9.020 27.991 1.00 0.00 C ATOM 526 O PHE A 42 -12.036 -8.876 26.785 1.00 0.00 O ATOM 527 CB PHE A 42 -12.296 -7.209 29.613 1.00 0.00 C ATOM 528 CG PHE A 42 -12.037 -6.126 28.605 1.00 0.00 C ATOM 529 CD1 PHE A 42 -13.079 -5.372 28.094 1.00 0.00 C ATOM 530 CD2 PHE A 42 -10.751 -5.860 28.169 1.00 0.00 C ATOM 531 CE1 PHE A 42 -12.840 -4.376 27.166 1.00 0.00 C ATOM 532 CE2 PHE A 42 -10.512 -4.864 27.241 1.00 0.00 C ATOM 533 CZ PHE A 42 -11.550 -4.123 26.740 1.00 0.00 C ATOM 0 H PHE A 42 -12.827 -9.186 30.983 1.00 0.00 H new ATOM 0 HA PHE A 42 -13.801 -8.298 28.514 1.00 0.00 H new ATOM 0 HB2 PHE A 42 -13.000 -6.838 30.358 1.00 0.00 H new ATOM 0 HB3 PHE A 42 -11.367 -7.434 30.137 1.00 0.00 H new ATOM 0 HD1 PHE A 42 -14.089 -5.564 28.424 1.00 0.00 H new ATOM 0 HD2 PHE A 42 -9.925 -6.437 28.558 1.00 0.00 H new ATOM 0 HE1 PHE A 42 -13.662 -3.795 26.774 1.00 0.00 H new ATOM 0 HE2 PHE A 42 -9.503 -4.669 26.909 1.00 0.00 H new ATOM 0 HZ PHE A 42 -11.361 -3.345 26.015 1.00 0.00 H new ATOM 543 N LYS A 43 -10.775 -9.624 28.498 1.00 0.00 N ATOM 544 CA LYS A 43 -9.720 -10.180 27.656 1.00 0.00 C ATOM 545 C LYS A 43 -10.213 -11.420 26.928 1.00 0.00 C ATOM 546 O LYS A 43 -9.960 -11.598 25.740 1.00 0.00 O ATOM 547 CB LYS A 43 -8.507 -10.569 28.504 1.00 0.00 C ATOM 548 CG LYS A 43 -7.741 -9.386 29.072 1.00 0.00 C ATOM 549 CD LYS A 43 -6.544 -9.844 29.889 1.00 0.00 C ATOM 550 CE LYS A 43 -5.778 -8.660 30.457 1.00 0.00 C ATOM 551 NZ LYS A 43 -4.610 -9.094 31.272 1.00 0.00 N ATOM 0 H LYS A 43 -10.614 -9.742 29.498 1.00 0.00 H new ATOM 0 HA LYS A 43 -9.438 -9.415 26.932 1.00 0.00 H new ATOM 0 HB2 LYS A 43 -8.840 -11.201 29.327 1.00 0.00 H new ATOM 0 HB3 LYS A 43 -7.830 -11.169 27.896 1.00 0.00 H new ATOM 0 HG2 LYS A 43 -7.404 -8.744 28.258 1.00 0.00 H new ATOM 0 HG3 LYS A 43 -8.403 -8.788 29.697 1.00 0.00 H new ATOM 0 HD2 LYS A 43 -6.881 -10.486 30.703 1.00 0.00 H new ATOM 0 HD3 LYS A 43 -5.882 -10.442 29.264 1.00 0.00 H new ATOM 0 HE2 LYS A 43 -5.435 -8.024 29.641 1.00 0.00 H new ATOM 0 HE3 LYS A 43 -6.446 -8.057 31.072 1.00 0.00 H new ATOM 0 HZ1 LYS A 43 -4.114 -8.258 31.641 1.00 0.00 H new ATOM 0 HZ2 LYS A 43 -4.939 -9.680 32.066 1.00 0.00 H new ATOM 0 HZ3 LYS A 43 -3.960 -9.648 30.679 1.00 0.00 H new ATOM 565 N LYS A 44 -10.927 -12.272 27.662 1.00 0.00 N ATOM 566 CA LYS A 44 -11.474 -13.507 27.112 1.00 0.00 C ATOM 567 C LYS A 44 -12.669 -13.211 26.221 1.00 0.00 C ATOM 568 O LYS A 44 -12.788 -13.750 25.123 1.00 0.00 O ATOM 569 CB LYS A 44 -11.929 -14.439 28.237 1.00 0.00 C ATOM 570 CG LYS A 44 -10.790 -15.045 29.040 1.00 0.00 C ATOM 571 CD LYS A 44 -9.945 -15.975 28.184 1.00 0.00 C ATOM 572 CE LYS A 44 -8.834 -16.617 28.998 1.00 0.00 C ATOM 573 NZ LYS A 44 -7.974 -17.501 28.164 1.00 0.00 N ATOM 0 H LYS A 44 -11.141 -12.125 28.649 1.00 0.00 H new ATOM 0 HA LYS A 44 -10.688 -13.987 26.529 1.00 0.00 H new ATOM 0 HB2 LYS A 44 -12.581 -13.884 28.912 1.00 0.00 H new ATOM 0 HB3 LYS A 44 -12.526 -15.244 27.808 1.00 0.00 H new ATOM 0 HG2 LYS A 44 -10.164 -14.250 29.444 1.00 0.00 H new ATOM 0 HG3 LYS A 44 -11.194 -15.596 29.890 1.00 0.00 H new ATOM 0 HD2 LYS A 44 -10.578 -16.751 27.753 1.00 0.00 H new ATOM 0 HD3 LYS A 44 -9.514 -15.417 27.353 1.00 0.00 H new ATOM 0 HE2 LYS A 44 -8.221 -15.839 29.453 1.00 0.00 H new ATOM 0 HE3 LYS A 44 -9.269 -17.197 29.812 1.00 0.00 H new ATOM 0 HZ1 LYS A 44 -7.229 -17.919 28.756 1.00 0.00 H new ATOM 0 HZ2 LYS A 44 -8.554 -18.259 27.750 1.00 0.00 H new ATOM 0 HZ3 LYS A 44 -7.538 -16.943 27.402 1.00 0.00 H new ATOM 587 N PHE A 45 -13.550 -12.345 26.713 1.00 0.00 N ATOM 588 CA PHE A 45 -14.752 -11.954 25.981 1.00 0.00 C ATOM 589 C PHE A 45 -14.400 -10.999 24.851 1.00 0.00 C ATOM 590 O PHE A 45 -14.914 -11.119 23.741 1.00 0.00 O ATOM 591 CB PHE A 45 -15.744 -11.255 26.913 1.00 0.00 C ATOM 592 CG PHE A 45 -17.028 -10.857 26.244 1.00 0.00 C ATOM 593 CD1 PHE A 45 -18.013 -11.795 25.989 1.00 0.00 C ATOM 594 CD2 PHE A 45 -17.250 -9.543 25.868 1.00 0.00 C ATOM 595 CE1 PHE A 45 -19.194 -11.428 25.373 1.00 0.00 C ATOM 596 CE2 PHE A 45 -18.432 -9.176 25.252 1.00 0.00 C ATOM 597 CZ PHE A 45 -19.401 -10.112 25.004 1.00 0.00 C ATOM 0 H PHE A 45 -13.453 -11.897 27.624 1.00 0.00 H new ATOM 0 HA PHE A 45 -15.202 -12.860 25.574 1.00 0.00 H new ATOM 0 HB2 PHE A 45 -15.971 -11.917 27.749 1.00 0.00 H new ATOM 0 HB3 PHE A 45 -15.272 -10.365 27.330 1.00 0.00 H new ATOM 0 HD1 PHE A 45 -17.857 -12.825 26.275 1.00 0.00 H new ATOM 0 HD2 PHE A 45 -16.492 -8.797 26.058 1.00 0.00 H new ATOM 0 HE1 PHE A 45 -19.955 -12.169 25.180 1.00 0.00 H new ATOM 0 HE2 PHE A 45 -18.592 -8.147 24.965 1.00 0.00 H new ATOM 0 HZ PHE A 45 -20.323 -9.823 24.522 1.00 0.00 H new ATOM 607 N THR A 46 -13.517 -10.052 25.152 1.00 0.00 N ATOM 608 CA THR A 46 -13.074 -9.058 24.178 1.00 0.00 C ATOM 609 C THR A 46 -12.110 -9.681 23.184 1.00 0.00 C ATOM 610 O THR A 46 -12.205 -9.449 21.981 1.00 0.00 O ATOM 611 CB THR A 46 -12.355 -7.880 24.861 1.00 0.00 C ATOM 612 OG1 THR A 46 -13.257 -7.221 25.758 1.00 0.00 O ATOM 613 CG2 THR A 46 -11.871 -6.878 23.824 1.00 0.00 C ATOM 0 H THR A 46 -13.090 -9.951 26.073 1.00 0.00 H new ATOM 0 HA THR A 46 -13.966 -8.694 23.669 1.00 0.00 H new ATOM 0 HB THR A 46 -11.498 -8.269 25.411 1.00 0.00 H new ATOM 0 HG1 THR A 46 -12.832 -7.122 26.635 1.00 0.00 H new ATOM 0 HG21 THR A 46 -11.365 -6.052 24.324 1.00 0.00 H new ATOM 0 HG22 THR A 46 -11.177 -7.368 23.141 1.00 0.00 H new ATOM 0 HG23 THR A 46 -12.723 -6.495 23.263 1.00 0.00 H new ATOM 621 N SER A 47 -11.180 -10.476 23.705 1.00 0.00 N ATOM 622 CA SER A 47 -10.176 -11.150 22.884 1.00 0.00 C ATOM 623 C SER A 47 -10.800 -12.319 22.138 1.00 0.00 C ATOM 624 O SER A 47 -10.529 -12.530 20.959 1.00 0.00 O ATOM 625 CB SER A 47 -9.039 -11.684 23.758 1.00 0.00 C ATOM 626 OG SER A 47 -8.064 -12.350 22.976 1.00 0.00 O ATOM 0 H SER A 47 -11.100 -10.671 24.703 1.00 0.00 H new ATOM 0 HA SER A 47 -9.784 -10.423 22.173 1.00 0.00 H new ATOM 0 HB2 SER A 47 -8.574 -10.860 24.299 1.00 0.00 H new ATOM 0 HB3 SER A 47 -9.441 -12.369 24.504 1.00 0.00 H new ATOM 0 HG SER A 47 -7.348 -12.680 23.558 1.00 0.00 H new ATOM 632 N LYS A 48 -11.638 -13.071 22.846 1.00 0.00 N ATOM 633 CA LYS A 48 -12.318 -14.231 22.276 1.00 0.00 C ATOM 634 C LYS A 48 -13.444 -13.790 21.356 1.00 0.00 C ATOM 635 O LYS A 48 -13.651 -14.366 20.290 1.00 0.00 O ATOM 636 CB LYS A 48 -12.913 -15.102 23.385 1.00 0.00 C ATOM 637 CG LYS A 48 -11.877 -15.836 24.220 1.00 0.00 C ATOM 638 CD LYS A 48 -11.121 -16.859 23.388 1.00 0.00 C ATOM 639 CE LYS A 48 -10.118 -17.626 24.234 1.00 0.00 C ATOM 640 NZ LYS A 48 -9.342 -18.606 23.424 1.00 0.00 N ATOM 0 H LYS A 48 -11.864 -12.895 23.825 1.00 0.00 H new ATOM 0 HA LYS A 48 -11.582 -14.803 21.711 1.00 0.00 H new ATOM 0 HB2 LYS A 48 -13.515 -14.474 24.042 1.00 0.00 H new ATOM 0 HB3 LYS A 48 -13.587 -15.832 22.937 1.00 0.00 H new ATOM 0 HG2 LYS A 48 -11.175 -15.119 24.645 1.00 0.00 H new ATOM 0 HG3 LYS A 48 -12.368 -16.335 25.056 1.00 0.00 H new ATOM 0 HD2 LYS A 48 -11.826 -17.556 22.935 1.00 0.00 H new ATOM 0 HD3 LYS A 48 -10.602 -16.356 22.572 1.00 0.00 H new ATOM 0 HE2 LYS A 48 -9.432 -16.924 24.709 1.00 0.00 H new ATOM 0 HE3 LYS A 48 -10.643 -18.150 25.033 1.00 0.00 H new ATOM 0 HZ1 LYS A 48 -8.669 -19.108 24.038 1.00 0.00 H new ATOM 0 HZ2 LYS A 48 -9.993 -19.291 22.991 1.00 0.00 H new ATOM 0 HZ3 LYS A 48 -8.821 -18.104 22.677 1.00 0.00 H new ATOM 654 N ALA A 49 -14.166 -12.758 21.785 1.00 0.00 N ATOM 655 CA ALA A 49 -15.282 -12.213 21.017 1.00 0.00 C ATOM 0 H ALA A 49 -13.996 -12.279 22.669 1.00 0.00 H new