USER MOD reduce.3.24.130724 H: found=0, std=0, add=770, rem=0, adj=20 USER MOD reduce.3.24.130724 removed 766 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 6 GLN : amide:sc= -0.795 K(o=-0.79,f=0.0086) USER MOD Single : A 9 SER OG : rot -28:sc= -1.69 USER MOD Single : A 11 CYS SG : rot 84:sc= 1 USER MOD Single : A 12 SER OG : rot -38:sc= 0.786 USER MOD Single : A 16 SER OG : rot -73:sc= 0.0827 USER MOD Single : A 19 HIS : no HD1:sc= -0.026 X(o=-0.026,f=-0.35) USER MOD Single : A 21 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Single : A 24 THR OG1 : rot 82:sc= 1.32 USER MOD Single : A 27 HIS : no HD1:sc= 0 X(o=0,f=0) USER MOD Single : B 6 GLN : amide:sc= -0.119 K(o=-0.12,f=-0.68) USER MOD Single : B 9 SER OG : rot -33:sc= -1.63! USER MOD Single : B 11 CYS SG : rot 79:sc= 0.997 USER MOD Single : B 12 SER OG : rot -39:sc= 0.77 USER MOD Single : B 16 SER OG : rot -73:sc= 0.102 USER MOD Single : B 19 HIS : no HD1:sc=-0.00931 X(o=-0.0093,f=-0.37) USER MOD Single : B 21 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Single : B 24 THR OG1 : rot 60:sc= 1.25 USER MOD Single : B 27 HIS : no HD1:sc= 0 X(o=0,f=0) USER MOD Single : C 6 GLN : amide:sc= -0.847 K(o=-0.85,f=-0.16) USER MOD Single : C 9 SER OG : rot -30:sc= -1.65! USER MOD Single : C 11 CYS SG : rot 80:sc= 1 USER MOD Single : C 12 SER OG : rot -38:sc= 0.74 USER MOD Single : C 16 SER OG : rot -72:sc= 0.0984 USER MOD Single : C 19 HIS : no HD1:sc= -0.014 X(o=-0.014,f=-0.39) USER MOD Single : C 21 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Single : C 24 THR OG1 : rot 61:sc= 1.28 USER MOD Single : C 27 HIS : no HD1:sc= 0 X(o=0,f=-0.0073) USER MOD Single : D 6 GLN : amide:sc= -0.13 X(o=-0.13,f=-0.62) USER MOD Single : D 9 SER OG : rot -28:sc= -1.46 USER MOD Single : D 11 CYS SG : rot 79:sc= 0.948 USER MOD Single : D 12 SER OG : rot -39:sc= 0.781 USER MOD Single : D 16 SER OG : rot -71:sc= 0.0824 USER MOD Single : D 19 HIS : no HD1:sc=-0.00983 X(o=-0.0098,f=-0.38) USER MOD Single : D 21 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Single : D 24 THR OG1 : rot 73:sc= 1.2 USER MOD Single : D 27 HIS : no HD1:sc= 0 X(o=0,f=0) USER MOD ----------------------------------------------------------------- ATOM 69 N PHE A 5 8.881 12.433 6.088 1.00 0.00 N0 ATOM 70 CA PHE A 5 9.937 11.437 5.981 1.00 0.00 C0 ATOM 71 C PHE A 5 10.743 11.656 4.708 1.00 0.00 C0 ATOM 72 O PHE A 5 11.947 11.410 4.678 1.00 0.00 O0 ATOM 73 CB PHE A 5 9.335 10.032 5.975 1.00 0.00 C0 ATOM 74 CG PHE A 5 9.919 9.240 4.830 1.00 0.00 C0 ATOM 75 CD1 PHE A 5 11.130 8.556 4.991 1.00 0.00 C0 ATOM 76 CD2 PHE A 5 9.248 9.194 3.602 1.00 0.00 C0 ATOM 77 CE1 PHE A 5 11.669 7.827 3.926 1.00 0.00 C0 ATOM 78 CE2 PHE A 5 9.787 8.463 2.536 1.00 0.00 C0 ATOM 79 CZ PHE A 5 10.998 7.780 2.697 1.00 0.00 C0 ATOM 0 HA PHE A 5 10.599 11.539 6.841 1.00 0.00 H new ATOM 0 HB2 PHE A 5 9.543 9.532 6.921 1.00 0.00 H new ATOM 0 HB3 PHE A 5 8.251 10.089 5.876 1.00 0.00 H new ATOM 0 HD1 PHE A 5 11.648 8.591 5.938 1.00 0.00 H new ATOM 0 HD2 PHE A 5 8.314 9.722 3.477 1.00 0.00 H new ATOM 0 HE1 PHE A 5 12.603 7.300 4.051 1.00 0.00 H new ATOM 0 HE2 PHE A 5 9.268 8.426 1.590 1.00 0.00 H new ATOM 0 HZ PHE A 5 11.415 7.217 1.875 1.00 0.00 H new ATOM 89 N GLN A 6 10.069 12.122 3.660 1.00 0.00 N0 ATOM 90 CA GLN A 6 10.738 12.370 2.391 1.00 0.00 C0 ATOM 91 C GLN A 6 11.792 13.458 2.536 1.00 0.00 C0 ATOM 92 O GLN A 6 12.857 13.379 1.928 1.00 0.00 O0 ATOM 93 CB GLN A 6 9.719 12.784 1.331 1.00 0.00 C0 ATOM 94 CG GLN A 6 8.978 11.544 0.832 1.00 0.00 C0 ATOM 95 CD GLN A 6 9.834 10.794 -0.184 1.00 0.00 C0 ATOM 96 OE1 GLN A 6 10.655 9.955 0.190 1.00 0.00 O0 ATOM 97 NE2 GLN A 6 9.690 11.044 -1.458 1.00 0.00 N0 ATOM 0 H GLN A 6 9.071 12.333 3.665 1.00 0.00 H new ATOM 0 HA GLN A 6 11.229 11.447 2.082 1.00 0.00 H new ATOM 0 HB2 GLN A 6 9.012 13.500 1.750 1.00 0.00 H new ATOM 0 HB3 GLN A 6 10.222 13.280 0.501 1.00 0.00 H new ATOM 0 HG2 GLN A 6 8.740 10.891 1.672 1.00 0.00 H new ATOM 0 HG3 GLN A 6 8.031 11.835 0.377 1.00 0.00 H new ATOM 0 HE21 GLN A 6 9.010 11.739 -1.768 1.00 0.00 H new ATOM 0 HE22 GLN A 6 10.257 10.545 -2.143 1.00 0.00 H new ATOM 106 N ILE A 7 11.487 14.473 3.337 1.00 0.00 N0 ATOM 107 CA ILE A 7 12.422 15.572 3.543 1.00 0.00 C0 ATOM 108 C ILE A 7 13.678 15.084 4.251 1.00 0.00 C0 ATOM 109 O ILE A 7 14.794 15.334 3.799 1.00 0.00 O0 ATOM 110 CB ILE A 7 11.758 16.654 4.388 1.00 0.00 C0 ATOM 111 CG1 ILE A 7 10.596 17.267 3.605 1.00 0.00 C0 ATOM 112 CG2 ILE A 7 12.777 17.747 4.717 1.00 0.00 C0 ATOM 113 CD1 ILE A 7 9.742 18.126 4.540 1.00 0.00 C0 ATOM 0 H ILE A 7 10.609 14.558 3.849 1.00 0.00 H new ATOM 0 HA ILE A 7 12.701 15.977 2.570 1.00 0.00 H new ATOM 0 HB ILE A 7 11.387 16.213 5.313 1.00 0.00 H new ATOM 0 HG12 ILE A 7 10.978 17.874 2.784 1.00 0.00 H new ATOM 0 HG13 ILE A 7 9.987 16.479 3.162 1.00 0.00 H new ATOM 0 HG21 ILE A 7 12.300 18.519 5.321 1.00 0.00 H new ATOM 0 HG22 ILE A 7 13.609 17.314 5.273 1.00 0.00 H new ATOM 0 HG23 ILE A 7 13.149 18.188 3.792 1.00 0.00 H new ATOM 0 HD11 ILE A 7 8.915 18.562 3.980 1.00 0.00 H new ATOM 0 HD12 ILE A 7 9.348 17.506 5.345 1.00 0.00 H new ATOM 0 HD13 ILE A 7 10.354 18.923 4.962 1.00 0.00 H new ATOM 125 N LEU A 8 13.491 14.387 5.366 1.00 0.00 N0 ATOM 126 CA LEU A 8 14.624 13.878 6.128 1.00 0.00 C0 ATOM 127 C LEU A 8 15.392 12.837 5.321 1.00 0.00 C0 ATOM 128 O LEU A 8 16.617 12.745 5.419 1.00 0.00 O0 ATOM 129 CB LEU A 8 14.143 13.253 7.440 1.00 0.00 C0 ATOM 130 CG LEU A 8 15.346 12.865 8.309 1.00 0.00 C0 ATOM 131 CD1 LEU A 8 15.985 14.125 8.903 1.00 0.00 C0 ATOM 132 CD2 LEU A 8 14.882 11.948 9.443 1.00 0.00 C0 ATOM 0 H LEU A 8 12.577 14.164 5.759 1.00 0.00 H new ATOM 0 HA LEU A 8 15.287 14.715 6.348 1.00 0.00 H new ATOM 0 HB2 LEU A 8 13.508 13.958 7.977 1.00 0.00 H new ATOM 0 HB3 LEU A 8 13.536 12.372 7.232 1.00 0.00 H new ATOM 0 HG LEU A 8 16.080 12.344 7.694 1.00 0.00 H new ATOM 0 HD11 LEU A 8 16.839 13.844 9.519 1.00 0.00 H new ATOM 0 HD12 LEU A 8 16.319 14.778 8.097 1.00 0.00 H new ATOM 0 HD13 LEU A 8 15.252 14.650 9.516 1.00 0.00 H new ATOM 0 HD21 LEU A 8 15.737 11.672 10.061 1.00 0.00 H new ATOM 0 HD22 LEU A 8 14.146 12.470 10.054 1.00 0.00 H new ATOM 0 HD23 LEU A 8 14.433 11.048 9.023 1.00 0.00 H new ATOM 144 N SER A 9 14.661 12.061 4.530 1.00 0.00 N0 ATOM 145 CA SER A 9 15.282 11.027 3.714 1.00 0.00 C0 ATOM 146 C SER A 9 16.143 11.647 2.620 1.00 0.00 C0 ATOM 147 O SER A 9 17.294 11.253 2.422 1.00 0.00 O0 ATOM 148 CB SER A 9 14.203 10.152 3.077 1.00 0.00 C0 ATOM 149 OG SER A 9 13.439 10.938 2.175 1.00 0.00 O0 ATOM 0 H SER A 9 13.647 12.127 4.437 1.00 0.00 H new ATOM 0 HA SER A 9 15.917 10.418 4.357 1.00 0.00 H new ATOM 0 HB2 SER A 9 14.661 9.314 2.551 1.00 0.00 H new ATOM 0 HB3 SER A 9 13.558 9.730 3.848 1.00 0.00 H new ATOM 0 HG SER A 9 13.447 11.873 2.468 1.00 0.00 H new ATOM 155 N ILE A 10 15.577 12.622 1.917 1.00 0.00 N0 ATOM 156 CA ILE A 10 16.294 13.297 0.845 1.00 0.00 C0 ATOM 157 C ILE A 10 17.514 14.016 1.393 1.00 0.00 C0 ATOM 158 O ILE A 10 18.564 14.021 0.755 1.00 0.00 O0 ATOM 159 CB ILE A 10 15.384 14.302 0.137 1.00 0.00 C0 ATOM 160 CG1 ILE A 10 14.372 13.546 -0.735 1.00 0.00 C0 ATOM 161 CG2 ILE A 10 16.231 15.239 -0.741 1.00 0.00 C0 ATOM 162 CD1 ILE A 10 15.026 13.142 -2.063 1.00 0.00 C0 ATOM 0 H ILE A 10 14.627 12.961 2.070 1.00 0.00 H new ATOM 0 HA ILE A 10 16.615 12.542 0.127 1.00 0.00 H new ATOM 0 HB ILE A 10 14.850 14.895 0.879 1.00 0.00 H new ATOM 0 HG12 ILE A 10 14.017 12.659 -0.210 1.00 0.00 H new ATOM 0 HG13 ILE A 10 13.501 14.174 -0.925 1.00 0.00 H new ATOM 0 HG21 ILE A 10 15.580 15.954 -1.244 1.00 0.00 H new ATOM 0 HG22 ILE A 10 16.945 15.776 -0.117 1.00 0.00 H new ATOM 0 HG23 ILE A 10 16.769 14.652 -1.485 1.00 0.00 H new ATOM 0 HD11 ILE A 10 14.302 12.606 -2.677 1.00 0.00 H new ATOM 0 HD12 ILE A 10 15.359 14.035 -2.591 1.00 0.00 H new ATOM 0 HD13 ILE A 10 15.882 12.497 -1.866 1.00 0.00 H new ATOM 174 N CYS A 11 17.366 14.626 2.570 1.00 0.00 N0 ATOM 175 CA CYS A 11 18.471 15.352 3.185 1.00 0.00 C0 ATOM 176 C CYS A 11 19.637 14.413 3.481 1.00 0.00 C0 ATOM 177 O CYS A 11 20.784 14.705 3.141 1.00 0.00 O0 ATOM 178 CB CYS A 11 17.993 15.996 4.488 1.00 0.00 C0 ATOM 179 SG CYS A 11 16.841 17.339 4.108 1.00 0.00 S0 ATOM 0 H CYS A 11 16.500 14.631 3.109 1.00 0.00 H new ATOM 0 HA CYS A 11 18.811 16.121 2.492 1.00 0.00 H new ATOM 0 HB2 CYS A 11 17.506 15.251 5.117 1.00 0.00 H new ATOM 0 HB3 CYS A 11 18.844 16.380 5.050 1.00 0.00 H new ATOM 0 HG CYS A 11 15.648 16.852 3.935 1.00 0.00 H new ATOM 185 N SER A 12 19.353 13.287 4.127 1.00 0.00 N0 ATOM 186 CA SER A 12 20.409 12.346 4.461 1.00 0.00 C0 ATOM 187 C SER A 12 21.075 11.821 3.197 1.00 0.00 C0 ATOM 188 O SER A 12 22.296 11.668 3.143 1.00 0.00 O0 ATOM 189 CB SER A 12 19.821 11.176 5.243 1.00 0.00 C0 ATOM 190 OG SER A 12 18.885 10.491 4.421 1.00 0.00 O0 ATOM 0 H SER A 12 18.418 13.009 4.424 1.00 0.00 H new ATOM 0 HA SER A 12 21.155 12.860 5.067 1.00 0.00 H new ATOM 0 HB2 SER A 12 20.614 10.497 5.557 1.00 0.00 H new ATOM 0 HB3 SER A 12 19.333 11.536 6.149 1.00 0.00 H new ATOM 0 HG SER A 12 18.384 11.140 3.885 1.00 0.00 H new ATOM 196 N PHE A 13 20.264 11.532 2.184 1.00 0.00 N0 ATOM 197 CA PHE A 13 20.787 11.009 0.926 1.00 0.00 C0 ATOM 198 C PHE A 13 21.828 11.954 0.330 1.00 0.00 C0 ATOM 199 O PHE A 13 22.940 11.539 0.001 1.00 0.00 O0 ATOM 200 CB PHE A 13 19.643 10.830 -0.074 1.00 0.00 C0 ATOM 201 CG PHE A 13 19.218 9.381 -0.115 1.00 0.00 C0 ATOM 202 CD1 PHE A 13 18.792 8.745 1.055 1.00 0.00 C0 ATOM 203 CD2 PHE A 13 19.250 8.677 -1.324 1.00 0.00 C0 ATOM 204 CE1 PHE A 13 18.400 7.401 1.018 1.00 0.00 C0 ATOM 205 CE2 PHE A 13 18.857 7.334 -1.363 1.00 0.00 C0 ATOM 206 CZ PHE A 13 18.433 6.696 -0.191 1.00 0.00 C0 ATOM 0 H PHE A 13 19.251 11.650 2.208 1.00 0.00 H new ATOM 0 HA PHE A 13 21.261 10.049 1.129 1.00 0.00 H new ATOM 0 HB2 PHE A 13 18.798 11.458 0.210 1.00 0.00 H new ATOM 0 HB3 PHE A 13 19.961 11.153 -1.065 1.00 0.00 H new ATOM 0 HD1 PHE A 13 18.765 9.290 1.987 1.00 0.00 H new ATOM 0 HD2 PHE A 13 19.578 9.170 -2.227 1.00 0.00 H new ATOM 0 HE1 PHE A 13 18.072 6.909 1.922 1.00 0.00 H new ATOM 0 HE2 PHE A 13 18.881 6.791 -2.296 1.00 0.00 H new ATOM 0 HZ PHE A 13 18.131 5.659 -0.220 1.00 0.00 H new ATOM 216 N ILE A 14 21.463 13.226 0.197 1.00 0.00 N0 ATOM 217 CA ILE A 14 22.376 14.212 -0.367 1.00 0.00 C0 ATOM 218 C ILE A 14 23.545 14.467 0.582 1.00 0.00 C0 ATOM 219 O ILE A 14 24.626 14.877 0.153 1.00 0.00 O0 ATOM 220 CB ILE A 14 21.624 15.519 -0.633 1.00 0.00 C0 ATOM 221 CG1 ILE A 14 21.089 16.088 0.689 1.00 0.00 C0 ATOM 222 CG2 ILE A 14 20.446 15.245 -1.574 1.00 0.00 C0 ATOM 223 CD1 ILE A 14 20.544 17.497 0.462 1.00 0.00 C0 ATOM 0 H ILE A 14 20.552 13.594 0.469 1.00 0.00 H new ATOM 0 HA ILE A 14 22.772 13.825 -1.306 1.00 0.00 H new ATOM 0 HB ILE A 14 22.304 16.238 -1.090 1.00 0.00 H new ATOM 0 HG12 ILE A 14 20.303 15.443 1.082 1.00 0.00 H new ATOM 0 HG13 ILE A 14 21.884 16.111 1.434 1.00 0.00 H new ATOM 0 HG21 ILE A 14 19.909 16.174 -1.765 1.00 0.00 H new ATOM 0 HG22 ILE A 14 20.819 14.841 -2.515 1.00 0.00 H new ATOM 0 HG23 ILE A 14 19.771 14.524 -1.112 1.00 0.00 H new ATOM 0 HD11 ILE A 14 20.165 17.897 1.403 1.00 0.00 H new ATOM 0 HD12 ILE A 14 21.341 18.140 0.089 1.00 0.00 H new ATOM 0 HD13 ILE A 14 19.736 17.461 -0.268 1.00 0.00 H new ATOM 235 N LEU A 15 23.331 14.210 1.866 1.00 0.00 N0 ATOM 236 CA LEU A 15 24.383 14.409 2.854 1.00 0.00 C0 ATOM 237 C LEU A 15 25.461 13.346 2.694 1.00 0.00 C0 ATOM 238 O LEU A 15 26.605 13.658 2.374 1.00 0.00 O0 ATOM 239 CB LEU A 15 23.788 14.344 4.263 1.00 0.00 C0 ATOM 240 CG LEU A 15 23.370 15.748 4.703 1.00 0.00 C0 ATOM 241 CD1 LEU A 15 22.359 15.646 5.847 1.00 0.00 C0 ATOM 242 CD2 LEU A 15 24.604 16.514 5.184 1.00 0.00 C0 ATOM 0 H LEU A 15 22.448 13.867 2.245 1.00 0.00 H new ATOM 0 HA LEU A 15 24.833 15.390 2.701 1.00 0.00 H new ATOM 0 HB2 LEU A 15 22.927 13.676 4.276 1.00 0.00 H new ATOM 0 HB3 LEU A 15 24.519 13.935 4.960 1.00 0.00 H new ATOM 0 HG LEU A 15 22.915 16.273 3.863 1.00 0.00 H new ATOM 0 HD11 LEU A 15 22.062 16.647 6.160 1.00 0.00 H new ATOM 0 HD12 LEU A 15 21.481 15.096 5.509 1.00 0.00 H new ATOM 0 HD13 LEU A 15 22.813 15.123 6.688 1.00 0.00 H new ATOM 0 HD21 LEU A 15 24.311 17.516 5.499 1.00 0.00 H new ATOM 0 HD22 LEU A 15 25.055 15.987 6.025 1.00 0.00 H new ATOM 0 HD23 LEU A 15 25.327 16.586 4.372 1.00 0.00 H new ATOM 254 N SER A 16 25.095 12.091 2.928 1.00 0.00 N0 ATOM 255 CA SER A 16 26.050 11.004 2.807 1.00 0.00 C0 ATOM 256 C SER A 16 26.734 11.054 1.447 1.00 0.00 C0 ATOM 257 O SER A 16 27.905 10.688 1.319 1.00 0.00 O0 ATOM 258 CB SER A 16 25.332 9.664 2.973 1.00 0.00 C0 ATOM 259 OG SER A 16 24.345 9.535 1.960 1.00 0.00 O0 ATOM 0 H SER A 16 24.154 11.806 3.199 1.00 0.00 H new ATOM 0 HA SER A 16 26.804 11.109 3.587 1.00 0.00 H new ATOM 0 HB2 SER A 16 26.047 8.844 2.907 1.00 0.00 H new ATOM 0 HB3 SER A 16 24.869 9.605 3.958 1.00 0.00 H new ATOM 0 HG SER A 16 23.590 10.126 2.162 1.00 0.00 H new ATOM 265 N ALA A 17 26.002 11.521 0.436 1.00 0.00 N0 ATOM 266 CA ALA A 17 26.560 11.626 -0.907 1.00 0.00 C0 ATOM 267 C ALA A 17 27.718 12.627 -0.932 1.00 0.00 C0 ATOM 268 O ALA A 17 28.805 12.334 -1.436 1.00 0.00 O0 ATOM 269 CB ALA A 17 25.469 12.076 -1.882 1.00 0.00 C0 ATOM 0 H ALA A 17 25.033 11.829 0.521 1.00 0.00 H new ATOM 0 HA ALA A 17 26.938 10.648 -1.206 1.00 0.00 H new ATOM 0 HB1 ALA A 17 25.887 12.154 -2.885 1.00 0.00 H new ATOM 0 HB2 ALA A 17 24.658 11.347 -1.883 1.00 0.00 H new ATOM 0 HB3 ALA A 17 25.083 13.048 -1.573 1.00 0.00 H new ATOM 275 N LEU A 18 27.481 13.811 -0.374 1.00 0.00 N0 ATOM 276 CA LEU A 18 28.511 14.844 -0.338 1.00 0.00 C0 ATOM 277 C LEU A 18 29.629 14.462 0.622 1.00 0.00 C0 ATOM 278 O LEU A 18 30.772 14.897 0.464 1.00 0.00 O0 ATOM 279 CB LEU A 18 27.898 16.178 0.088 1.00 0.00 C0 ATOM 280 CG LEU A 18 26.983 16.698 -1.023 1.00 0.00 C0 ATOM 281 CD1 LEU A 18 26.137 17.854 -0.484 1.00 0.00 C0 ATOM 282 CD2 LEU A 18 27.832 17.195 -2.199 1.00 0.00 C0 ATOM 0 H LEU A 18 26.595 14.077 0.055 1.00 0.00 H new ATOM 0 HA LEU A 18 28.932 14.941 -1.339 1.00 0.00 H new ATOM 0 HB2 LEU A 18 27.332 16.052 1.011 1.00 0.00 H new ATOM 0 HB3 LEU A 18 28.686 16.903 0.294 1.00 0.00 H new ATOM 0 HG LEU A 18 26.331 15.893 -1.362 1.00 0.00 H new ATOM 0 HD11 LEU A 18 25.484 18.226 -1.274 1.00 0.00 H new ATOM 0 HD12 LEU A 18 25.532 17.503 0.352 1.00 0.00 H new ATOM 0 HD13 LEU A 18 26.792 18.657 -0.146 1.00 0.00 H new ATOM 0 HD21 LEU A 18 27.178 17.565 -2.989 1.00 0.00 H new ATOM 0 HD22 LEU A 18 28.485 18.000 -1.862 1.00 0.00 H new ATOM 0 HD23 LEU A 18 28.437 16.374 -2.583 1.00 0.00 H new ATOM 294 N HIS A 19 29.294 13.640 1.614 1.00 0.00 N0 ATOM 295 CA HIS A 19 30.273 13.189 2.596 1.00 0.00 C0 ATOM 296 C HIS A 19 31.340 12.318 1.946 1.00 0.00 C0 ATOM 297 O HIS A 19 32.539 12.543 2.124 1.00 0.00 O0 ATOM 298 CB HIS A 19 29.570 12.398 3.702 1.00 0.00 C0 ATOM 299 CG HIS A 19 30.584 11.587 4.461 1.00 0.00 C0 ATOM 300 ND1 HIS A 19 30.790 10.240 4.205 1.00 0.00 N0 ATOM 301 CD2 HIS A 19 31.463 11.915 5.462 1.00 0.00 C0 ATOM 302 CE1 HIS A 19 31.756 9.811 5.034 1.00 0.00 C0 ATOM 303 NE2 HIS A 19 32.202 10.792 5.824 1.00 0.00 N0 ATOM 0 H HIS A 19 28.353 13.274 1.758 1.00 0.00 H new ATOM 0 HA HIS A 19 30.758 14.068 3.022 1.00 0.00 H new ATOM 0 HB2 HIS A 19 29.053 13.079 4.378 1.00 0.00 H new ATOM 0 HB3 HIS A 19 28.814 11.742 3.270 1.00 0.00 H new ATOM 0 HD2 HIS A 19 31.566 12.896 5.902 1.00 0.00 H new ATOM 0 HE1 HIS A 19 32.127 8.797 5.059 1.00 0.00 H new ATOM 0 HE2 HIS A 19 32.928 10.731 6.538 1.00 0.00 H new ATOM 311 N PHE A 20 30.899 11.319 1.186 1.00 0.00 N0 ATOM 312 CA PHE A 20 31.832 10.428 0.510 1.00 0.00 C0 ATOM 313 C PHE A 20 32.535 11.167 -0.616 1.00 0.00 C0 ATOM 314 O PHE A 20 33.658 10.832 -0.972 1.00 0.00 O0 ATOM 315 CB PHE A 20 31.095 9.201 -0.037 1.00 0.00 C0 ATOM 316 CG PHE A 20 31.327 8.019 0.887 1.00 0.00 C0 ATOM 317 CD1 PHE A 20 30.272 7.500 1.646 1.00 0.00 C0 ATOM 318 CD2 PHE A 20 32.601 7.447 0.980 1.00 0.00 C0 ATOM 319 CE1 PHE A 20 30.491 6.407 2.503 1.00 0.00 C0 ATOM 320 CE2 PHE A 20 32.824 6.355 1.833 1.00 0.00 C0 ATOM 321 CZ PHE A 20 31.771 5.833 2.598 1.00 0.00 C0 ATOM 0 H PHE A 20 29.914 11.109 1.025 1.00 0.00 H new ATOM 0 HA PHE A 20 32.579 10.091 1.229 1.00 0.00 H new ATOM 0 HB2 PHE A 20 30.028 9.410 -0.117 1.00 0.00 H new ATOM 0 HB3 PHE A 20 31.450 8.967 -1.041 1.00 0.00 H new ATOM 0 HD1 PHE A 20 29.288 7.940 1.573 1.00 0.00 H new ATOM 0 HD2 PHE A 20 33.415 7.847 0.394 1.00 0.00 H new ATOM 0 HE1 PHE A 20 29.676 6.008 3.088 1.00 0.00 H new ATOM 0 HE2 PHE A 20 33.808 5.916 1.900 1.00 0.00 H new ATOM 0 HZ PHE A 20 31.942 4.994 3.257 1.00 0.00 H new ATOM 331 N MET A 21 31.871 12.178 -1.166 1.00 0.00 N0 ATOM 332 CA MET A 21 32.462 12.959 -2.244 1.00 0.00 C0 ATOM 333 C MET A 21 33.741 13.650 -1.771 1.00 0.00 C0 ATOM 334 O MET A 21 34.822 13.474 -2.351 1.00 0.00 O0 ATOM 335 CB MET A 21 31.458 14.013 -2.721 1.00 0.00 C0 ATOM 336 CG MET A 21 30.619 13.430 -3.864 1.00 0.00 C0 ATOM 337 SD MET A 21 29.490 14.696 -4.497 1.00 0.00 S0 ATOM 338 CE MET A 21 29.110 13.898 -6.078 1.00 0.00 C0 ATOM 0 H MET A 21 30.935 12.473 -0.887 1.00 0.00 H new ATOM 0 HA MET A 21 32.712 12.287 -3.065 1.00 0.00 H new ATOM 0 HB2 MET A 21 30.812 14.316 -1.897 1.00 0.00 H new ATOM 0 HB3 MET A 21 31.983 14.906 -3.059 1.00 0.00 H new ATOM 0 HG2 MET A 21 31.271 13.077 -4.663 1.00 0.00 H new ATOM 0 HG3 MET A 21 30.053 12.568 -3.510 1.00 0.00 H new ATOM 0 HE1 MET A 21 28.415 14.520 -6.642 1.00 0.00 H new ATOM 0 HE2 MET A 21 30.029 13.769 -6.650 1.00 0.00 H new ATOM 0 HE3 MET A 21 28.657 12.924 -5.894 1.00 0.00 H new ATOM 348 N ALA A 22 33.616 14.436 -0.705 1.00 0.00 N0 ATOM 349 CA ALA A 22 34.764 15.144 -0.155 1.00 0.00 C0 ATOM 350 C ALA A 22 35.805 14.146 0.332 1.00 0.00 C0 ATOM 351 O ALA A 22 37.006 14.348 0.149 1.00 0.00 O0 ATOM 352 CB ALA A 22 34.325 16.047 1.000 1.00 0.00 C0 ATOM 0 H ALA A 22 32.739 14.597 -0.210 1.00 0.00 H new ATOM 0 HA ALA A 22 35.203 15.763 -0.937 1.00 0.00 H new ATOM 0 HB1 ALA A 22 35.192 16.571 1.402 1.00 0.00 H new ATOM 0 HB2 ALA A 22 33.598 16.774 0.638 1.00 0.00 H new ATOM 0 HB3 ALA A 22 33.871 15.440 1.784 1.00 0.00 H new ATOM 358 N TRP A 23 35.339 13.063 0.948 1.00 0.00 N0 ATOM 359 CA TRP A 23 36.246 12.038 1.447 1.00 0.00 C0 ATOM 360 C TRP A 23 37.081 11.468 0.307 1.00 0.00 C0 ATOM 361 O TRP A 23 38.295 11.315 0.434 1.00 0.00 O0 ATOM 362 CB TRP A 23 35.449 10.919 2.119 1.00 0.00 C0 ATOM 363 CG TRP A 23 35.697 10.947 3.591 1.00 0.00 C0 ATOM 364 CD1 TRP A 23 35.270 11.911 4.439 1.00 0.00 C0 ATOM 365 CD2 TRP A 23 36.424 9.978 4.404 1.00 0.00 C0 ATOM 366 NE1 TRP A 23 35.689 11.594 5.718 1.00 0.00 N0 ATOM 367 CE2 TRP A 23 36.405 10.414 5.748 1.00 0.00 C0 ATOM 368 CE3 TRP A 23 37.092 8.775 4.107 1.00 0.00 C0 ATOM 369 CZ2 TRP A 23 37.026 9.686 6.762 1.00 0.00 C0 ATOM 370 CZ3 TRP A 23 37.719 8.038 5.126 1.00 0.00 C0 ATOM 371 CH2 TRP A 23 37.685 8.494 6.450 1.00 0.00 C0 ATOM 0 H TRP A 23 34.350 12.875 1.112 1.00 0.00 H new ATOM 0 HA TRP A 23 36.915 12.490 2.179 1.00 0.00 H new ATOM 0 HB2 TRP A 23 34.385 11.043 1.916 1.00 0.00 H new ATOM 0 HB3 TRP A 23 35.741 9.953 1.708 1.00 0.00 H new ATOM 0 HD1 TRP A 23 34.697 12.784 4.163 1.00 0.00 H new ATOM 0 HE1 TRP A 23 35.493 12.164 6.541 1.00 0.00 H new ATOM 0 HE3 TRP A 23 37.123 8.416 3.089 1.00 0.00 H new ATOM 0 HZ2 TRP A 23 36.998 10.041 7.782 1.00 0.00 H new ATOM 0 HZ3 TRP A 23 38.229 7.116 4.887 1.00 0.00 H new ATOM 0 HH2 TRP A 23 38.168 7.924 7.230 1.00 0.00 H new ATOM 382 N THR A 24 36.423 11.145 -0.801 1.00 0.00 N0 ATOM 383 CA THR A 24 37.113 10.586 -1.953 1.00 0.00 C0 ATOM 384 C THR A 24 38.233 11.519 -2.387 1.00 0.00 C0 ATOM 385 O THR A 24 39.354 11.083 -2.651 1.00 0.00 O0 ATOM 386 CB THR A 24 36.124 10.394 -3.106 1.00 0.00 C0 ATOM 387 OG1 THR A 24 35.136 9.443 -2.731 1.00 0.00 O0 ATOM 388 CG2 THR A 24 36.866 9.900 -4.349 1.00 0.00 C0 ATOM 0 H THR A 24 35.417 11.261 -0.924 1.00 0.00 H new ATOM 0 HA THR A 24 37.538 9.620 -1.680 1.00 0.00 H new ATOM 0 HB THR A 24 35.645 11.347 -3.331 1.00 0.00 H new ATOM 0 HG1 THR A 24 34.447 9.883 -2.191 1.00 0.00 H new ATOM 0 HG21 THR A 24 36.157 9.765 -5.166 1.00 0.00 H new ATOM 0 HG22 THR A 24 37.619 10.633 -4.639 1.00 0.00 H new ATOM 0 HG23 THR A 24 37.351 8.949 -4.129 1.00 0.00 H new ATOM 396 N ILE A 25 37.927 12.807 -2.451 1.00 0.00 N0 ATOM 397 CA ILE A 25 38.929 13.794 -2.845 1.00 0.00 C0 ATOM 398 C ILE A 25 40.057 13.839 -1.810 1.00 0.00 C0 ATOM 399 O ILE A 25 41.232 13.971 -2.151 1.00 0.00 O0 ATOM 400 CB ILE A 25 38.282 15.174 -2.970 1.00 0.00 C0 ATOM 401 CG1 ILE A 25 37.220 15.134 -4.071 1.00 0.00 C0 ATOM 402 CG2 ILE A 25 39.350 16.209 -3.340 1.00 0.00 C0 ATOM 403 CD1 ILE A 25 36.375 16.406 -4.013 1.00 0.00 C0 ATOM 0 H ILE A 25 37.007 13.192 -2.239 1.00 0.00 H new ATOM 0 HA ILE A 25 39.346 13.508 -3.811 1.00 0.00 H new ATOM 0 HB ILE A 25 37.822 15.447 -2.020 1.00 0.00 H new ATOM 0 HG12 ILE A 25 37.697 15.046 -5.047 1.00 0.00 H new ATOM 0 HG13 ILE A 25 36.585 14.257 -3.946 1.00 0.00 H new ATOM 0 HG21 ILE A 25 38.888 17.192 -3.429 1.00 0.00 H new ATOM 0 HG22 ILE A 25 40.115 16.236 -2.564 1.00 0.00 H new ATOM 0 HG23 ILE A 25 39.808 15.936 -4.291 1.00 0.00 H new ATOM 0 HD11 ILE A 25 35.619 16.377 -4.798 1.00 0.00 H new ATOM 0 HD12 ILE A 25 35.887 16.474 -3.041 1.00 0.00 H new ATOM 0 HD13 ILE A 25 37.016 17.276 -4.159 1.00 0.00 H new ATOM 415 N GLY A 26 39.678 13.729 -0.541 1.00 0.00 N0 ATOM 416 CA GLY A 26 40.655 13.752 0.543 1.00 0.00 C0 ATOM 417 C GLY A 26 41.646 12.598 0.413 1.00 0.00 C0 ATOM 418 O GLY A 26 42.860 12.790 0.514 1.00 0.00 O0 ATOM 0 H GLY A 26 38.710 13.624 -0.239 1.00 0.00 H new ATOM 0 HA2 GLY A 26 41.193 14.700 0.532 1.00 0.00 H new ATOM 0 HA3 GLY A 26 40.141 13.688 1.502 1.00 0.00 H new ATOM 422 N HIS A 27 41.120 11.398 0.184 1.00 0.00 N0 ATOM 423 CA HIS A 27 41.963 10.216 0.038 1.00 0.00 C0 ATOM 424 C HIS A 27 42.881 10.360 -1.170 1.00 0.00 C0 ATOM 425 O HIS A 27 44.047 9.968 -1.127 1.00 0.00 O0 ATOM 426 CB HIS A 27 41.092 8.969 -0.122 1.00 0.00 C0 ATOM 427 CG HIS A 27 41.233 8.098 1.098 1.00 0.00 C0 ATOM 428 ND1 HIS A 27 40.234 7.987 2.051 1.00 0.00 N0 ATOM 429 CD2 HIS A 27 42.253 7.286 1.527 1.00 0.00 C0 ATOM 430 CE1 HIS A 27 40.670 7.137 2.999 1.00 0.00 C0 ATOM 431 NE2 HIS A 27 41.895 6.680 2.728 1.00 0.00 N0 ATOM 0 H HIS A 27 40.120 11.219 0.096 1.00 0.00 H new ATOM 0 HA HIS A 27 42.575 10.116 0.934 1.00 0.00 H new ATOM 0 HB2 HIS A 27 40.049 9.256 -0.259 1.00 0.00 H new ATOM 0 HB3 HIS A 27 41.390 8.416 -1.013 1.00 0.00 H new ATOM 0 HD2 HIS A 27 43.191 7.140 1.011 1.00 0.00 H new ATOM 0 HE1 HIS A 27 40.099 6.859 3.872 1.00 0.00 H new ATOM 0 HE2 HIS A 27 42.449 6.027 3.282 1.00 0.00 H new ATOM 439 N LEU A 28 42.347 10.929 -2.244 1.00 0.00 N0 ATOM 440 CA LEU A 28 43.130 11.129 -3.459 1.00 0.00 C0 ATOM 441 C LEU A 28 44.080 12.313 -3.300 1.00 0.00 C0 ATOM 442 O LEU A 28 45.079 12.420 -4.010 1.00 0.00 O0 ATOM 443 CB LEU A 28 42.195 11.375 -4.644 1.00 0.00 C0 ATOM 444 CG LEU A 28 41.325 10.136 -4.872 1.00 0.00 C0 ATOM 445 CD1 LEU A 28 40.236 10.461 -5.895 1.00 0.00 C0 ATOM 446 CD2 LEU A 28 42.196 8.988 -5.399 1.00 0.00 C0 ATOM 0 H LEU A 28 41.383 11.258 -2.300 1.00 0.00 H new ATOM 0 HA LEU A 28 43.720 10.231 -3.641 1.00 0.00 H new ATOM 0 HB2 LEU A 28 41.566 12.244 -4.451 1.00 0.00 H new ATOM 0 HB3 LEU A 28 42.776 11.595 -5.540 1.00 0.00 H new ATOM 0 HG LEU A 28 40.863 9.838 -3.931 1.00 0.00 H new ATOM 0 HD11 LEU A 28 39.616 9.580 -6.058 1.00 0.00 H new ATOM 0 HD12 LEU A 28 39.617 11.276 -5.521 1.00 0.00 H new ATOM 0 HD13 LEU A 28 40.698 10.759 -6.836 1.00 0.00 H new ATOM 0 HD21 LEU A 28 41.576 8.106 -5.561 1.00 0.00 H new ATOM 0 HD22 LEU A 28 42.658 9.285 -6.340 1.00 0.00 H new ATOM 0 HD23 LEU A 28 42.973 8.757 -4.670 1.00 0.00 H new ATOM 643 N GLN B 6 11.664 1.420 6.675 1.00 0.00 N0 ATOM 644 CA GLN B 6 12.540 0.276 6.468 1.00 0.00 C0 ATOM 645 C GLN B 6 13.633 0.606 5.463 1.00 0.00 C0 ATOM 646 O GLN B 6 14.773 0.170 5.614 1.00 0.00 O0 ATOM 647 CB GLN B 6 11.734 -0.921 5.972 1.00 0.00 C0 ATOM 648 CG GLN B 6 10.995 -1.556 7.149 1.00 0.00 C0 ATOM 649 CD GLN B 6 11.945 -2.439 7.953 1.00 0.00 C0 ATOM 650 OE1 GLN B 6 12.635 -1.955 8.851 1.00 0.00 O0 ATOM 651 NE2 GLN B 6 12.024 -3.714 7.682 1.00 0.00 N0 ATOM 0 HA GLN B 6 13.005 0.029 7.422 1.00 0.00 H new ATOM 0 HB2 GLN B 6 11.022 -0.604 5.210 1.00 0.00 H new ATOM 0 HB3 GLN B 6 12.396 -1.652 5.506 1.00 0.00 H new ATOM 0 HG2 GLN B 6 10.580 -0.778 7.790 1.00 0.00 H new ATOM 0 HG3 GLN B 6 10.157 -2.149 6.784 1.00 0.00 H new ATOM 0 HE21 GLN B 6 11.452 -4.114 6.938 1.00 0.00 H new ATOM 0 HE22 GLN B 6 12.658 -4.310 8.214 1.00 0.00 H new ATOM 660 N ILE B 7 13.279 1.370 4.433 1.00 0.00 N0 ATOM 661 CA ILE B 7 14.246 1.742 3.410 1.00 0.00 C0 ATOM 662 C ILE B 7 15.335 2.629 3.995 1.00 0.00 C0 ATOM 663 O ILE B 7 16.524 2.363 3.824 1.00 0.00 O0 ATOM 664 CB ILE B 7 13.537 2.491 2.287 1.00 0.00 C0 ATOM 665 CG1 ILE B 7 12.560 1.547 1.587 1.00 0.00 C0 ATOM 666 CG2 ILE B 7 14.567 2.996 1.274 1.00 0.00 C0 ATOM 667 CD1 ILE B 7 11.632 2.350 0.672 1.00 0.00 C0 ATOM 0 H ILE B 7 12.339 1.739 4.287 1.00 0.00 H new ATOM 0 HA ILE B 7 14.705 0.833 3.021 1.00 0.00 H new ATOM 0 HB ILE B 7 12.994 3.339 2.704 1.00 0.00 H new ATOM 0 HG12 ILE B 7 13.109 0.807 1.005 1.00 0.00 H new ATOM 0 HG13 ILE B 7 11.974 1.001 2.326 1.00 0.00 H new ATOM 0 HG21 ILE B 7 14.057 3.531 0.473 1.00 0.00 H new ATOM 0 HG22 ILE B 7 15.267 3.668 1.771 1.00 0.00 H new ATOM 0 HG23 ILE B 7 15.112 2.149 0.856 1.00 0.00 H new ATOM 0 HD11 ILE B 7 10.937 1.674 0.175 1.00 0.00 H new ATOM 0 HD12 ILE B 7 11.073 3.073 1.265 1.00 0.00 H new ATOM 0 HD13 ILE B 7 12.225 2.876 -0.076 1.00 0.00 H new ATOM 679 N LEU B 8 14.926 3.687 4.685 1.00 0.00 N0 ATOM 680 CA LEU B 8 15.884 4.607 5.284 1.00 0.00 C0 ATOM 681 C LEU B 8 16.691 3.914 6.375 1.00 0.00 C0 ATOM 682 O LEU B 8 17.874 4.201 6.563 1.00 0.00 O0 ATOM 683 CB LEU B 8 15.158 5.817 5.877 1.00 0.00 C0 ATOM 684 CG LEU B 8 16.177 6.857 6.360 1.00 0.00 C0 ATOM 685 CD1 LEU B 8 16.803 7.567 5.157 1.00 0.00 C0 ATOM 686 CD2 LEU B 8 15.475 7.885 7.251 1.00 0.00 C0 ATOM 0 H LEU B 8 13.947 3.927 4.842 1.00 0.00 H new ATOM 0 HA LEU B 8 16.565 4.941 4.501 1.00 0.00 H new ATOM 0 HB2 LEU B 8 14.501 6.260 5.128 1.00 0.00 H new ATOM 0 HB3 LEU B 8 14.527 5.501 6.708 1.00 0.00 H new ATOM 0 HG LEU B 8 16.960 6.355 6.929 1.00 0.00 H new ATOM 0 HD11 LEU B 8 17.526 8.305 5.506 1.00 0.00 H new ATOM 0 HD12 LEU B 8 17.307 6.836 4.525 1.00 0.00 H new ATOM 0 HD13 LEU B 8 16.023 8.067 4.583 1.00 0.00 H new ATOM 0 HD21 LEU B 8 16.199 8.624 7.594 1.00 0.00 H new ATOM 0 HD22 LEU B 8 14.690 8.383 6.683 1.00 0.00 H new ATOM 0 HD23 LEU B 8 15.036 7.381 8.112 1.00 0.00 H new ATOM 698 N SER B 9 16.043 2.999 7.086 1.00 0.00 N0 ATOM 699 CA SER B 9 16.706 2.271 8.158 1.00 0.00 C0 ATOM 700 C SER B 9 17.772 1.336 7.598 1.00 0.00 C0 ATOM 701 O SER B 9 18.907 1.311 8.078 1.00 0.00 O0 ATOM 702 CB SER B 9 15.680 1.458 8.945 1.00 0.00 C0 ATOM 703 OG SER B 9 15.126 0.464 8.096 1.00 0.00 O0 ATOM 0 H SER B 9 15.066 2.745 6.940 1.00 0.00 H new ATOM 0 HA SER B 9 17.186 2.994 8.818 1.00 0.00 H new ATOM 0 HB2 SER B 9 16.152 0.993 9.810 1.00 0.00 H new ATOM 0 HB3 SER B 9 14.893 2.111 9.324 1.00 0.00 H new ATOM 0 HG SER B 9 15.086 0.804 7.178 1.00 0.00 H new ATOM 709 N ILE B 10 17.396 0.575 6.576 1.00 0.00 N0 ATOM 710 CA ILE B 10 18.320 -0.358 5.947 1.00 0.00 C0 ATOM 711 C ILE B 10 19.487 0.387 5.323 1.00 0.00 C0 ATOM 712 O ILE B 10 20.623 -0.074 5.390 1.00 0.00 O0 ATOM 713 CB ILE B 10 17.608 -1.183 4.873 1.00 0.00 C0 ATOM 714 CG1 ILE B 10 16.695 -2.215 5.547 1.00 0.00 C0 ATOM 715 CG2 ILE B 10 18.649 -1.901 3.997 1.00 0.00 C0 ATOM 716 CD1 ILE B 10 17.519 -3.431 5.992 1.00 0.00 C0 ATOM 0 H ILE B 10 16.461 0.586 6.168 1.00 0.00 H new ATOM 0 HA ILE B 10 18.696 -1.029 6.719 1.00 0.00 H new ATOM 0 HB ILE B 10 17.008 -0.524 4.245 1.00 0.00 H new ATOM 0 HG12 ILE B 10 16.198 -1.767 6.408 1.00 0.00 H new ATOM 0 HG13 ILE B 10 15.913 -2.528 4.855 1.00 0.00 H new ATOM 0 HG21 ILE B 10 18.139 -2.488 3.233 1.00 0.00 H new ATOM 0 HG22 ILE B 10 19.293 -1.163 3.518 1.00 0.00 H new ATOM 0 HG23 ILE B 10 19.254 -2.562 4.618 1.00 0.00 H new ATOM 0 HD11 ILE B 10 16.864 -4.159 6.470 1.00 0.00 H new ATOM 0 HD12 ILE B 10 17.995 -3.886 5.123 1.00 0.00 H new ATOM 0 HD13 ILE B 10 18.284 -3.113 6.700 1.00 0.00 H new ATOM 728 N CYS B 11 19.200 1.540 4.714 1.00 0.00 N0 ATOM 729 CA CYS B 11 20.243 2.334 4.079 1.00 0.00 C0 ATOM 730 C CYS B 11 21.277 2.792 5.101 1.00 0.00 C0 ATOM 731 O CYS B 11 22.481 2.645 4.892 1.00 0.00 O0 ATOM 732 CB CYS B 11 19.612 3.559 3.407 1.00 0.00 C0 ATOM 733 SG CYS B 11 18.636 3.027 1.980 1.00 0.00 S0 ATOM 0 H CYS B 11 18.263 1.938 4.650 1.00 0.00 H new ATOM 0 HA CYS B 11 20.744 1.716 3.334 1.00 0.00 H new ATOM 0 HB2 CYS B 11 18.978 4.091 4.117 1.00 0.00 H new ATOM 0 HB3 CYS B 11 20.389 4.255 3.091 1.00 0.00 H new ATOM 0 HG CYS B 11 17.493 2.560 2.386 1.00 0.00 H new ATOM 739 N SER B 12 20.815 3.365 6.209 1.00 0.00 N0 ATOM 740 CA SER B 12 21.735 3.842 7.229 1.00 0.00 C0 ATOM 741 C SER B 12 22.552 2.690 7.794 1.00 0.00 C0 ATOM 742 O SER B 12 23.751 2.825 8.039 1.00 0.00 O0 ATOM 743 CB SER B 12 20.949 4.504 8.356 1.00 0.00 C0 ATOM 744 OG SER B 12 20.107 3.534 8.964 1.00 0.00 O0 ATOM 0 H SER B 12 19.827 3.507 6.419 1.00 0.00 H new ATOM 0 HA SER B 12 22.413 4.565 6.775 1.00 0.00 H new ATOM 0 HB2 SER B 12 21.631 4.926 9.094 1.00 0.00 H new ATOM 0 HB3 SER B 12 20.353 5.329 7.965 1.00 0.00 H new ATOM 0 HG SER B 12 19.734 2.946 8.274 1.00 0.00 H new ATOM 750 N PHE B 13 21.893 1.556 8.009 1.00 0.00 N0 ATOM 751 CA PHE B 13 22.567 0.384 8.561 1.00 0.00 C0 ATOM 752 C PHE B 13 23.752 -0.026 7.691 1.00 0.00 C0 ATOM 753 O PHE B 13 24.872 -0.184 8.186 1.00 0.00 O0 ATOM 754 CB PHE B 13 21.585 -0.785 8.646 1.00 0.00 C0 ATOM 755 CG PHE B 13 21.070 -0.921 10.059 1.00 0.00 C0 ATOM 756 CD1 PHE B 13 20.422 0.154 10.676 1.00 0.00 C0 ATOM 757 CD2 PHE B 13 21.243 -2.126 10.753 1.00 0.00 C0 ATOM 758 CE1 PHE B 13 19.948 0.028 11.986 1.00 0.00 C0 ATOM 759 CE2 PHE B 13 20.769 -2.253 12.064 1.00 0.00 C0 ATOM 760 CZ PHE B 13 20.122 -1.176 12.679 1.00 0.00 C0 ATOM 0 H PHE B 13 20.901 1.423 7.812 1.00 0.00 H new ATOM 0 HA PHE B 13 22.932 0.641 9.556 1.00 0.00 H new ATOM 0 HB2 PHE B 13 20.753 -0.623 7.960 1.00 0.00 H new ATOM 0 HB3 PHE B 13 22.077 -1.708 8.338 1.00 0.00 H new ATOM 0 HD1 PHE B 13 20.287 1.082 10.141 1.00 0.00 H new ATOM 0 HD2 PHE B 13 21.742 -2.957 10.276 1.00 0.00 H new ATOM 0 HE1 PHE B 13 19.448 0.859 12.462 1.00 0.00 H new ATOM 0 HE2 PHE B 13 20.903 -3.181 12.600 1.00 0.00 H new ATOM 0 HZ PHE B 13 19.756 -1.273 13.690 1.00 0.00 H new ATOM 770 N ILE B 14 23.509 -0.186 6.394 1.00 0.00 N0 ATOM 771 CA ILE B 14 24.569 -0.579 5.476 1.00 0.00 C0 ATOM 772 C ILE B 14 25.590 0.545 5.316 1.00 0.00 C0 ATOM 773 O ILE B 14 26.752 0.299 4.987 1.00 0.00 O0 ATOM 774 CB ILE B 14 23.966 -0.936 4.112 1.00 0.00 C0 ATOM 775 CG1 ILE B 14 23.267 0.296 3.520 1.00 0.00 C0 ATOM 776 CG2 ILE B 14 22.940 -2.060 4.290 1.00 0.00 C0 ATOM 777 CD1 ILE B 14 22.866 0.013 2.072 1.00 0.00 C0 ATOM 0 H ILE B 14 22.596 -0.051 5.959 1.00 0.00 H new ATOM 0 HA ILE B 14 25.079 -1.451 5.886 1.00 0.00 H new ATOM 0 HB ILE B 14 24.759 -1.263 3.440 1.00 0.00 H new ATOM 0 HG12 ILE B 14 22.385 0.545 4.110 1.00 0.00 H new ATOM 0 HG13 ILE B 14 23.932 1.159 3.562 1.00 0.00 H new ATOM 0 HG21 ILE B 14 22.509 -2.316 3.322 1.00 0.00 H new ATOM 0 HG22 ILE B 14 23.431 -2.937 4.712 1.00 0.00 H new ATOM 0 HG23 ILE B 14 22.149 -1.728 4.962 1.00 0.00 H new ATOM 0 HD11 ILE B 14 22.370 0.889 1.654 1.00 0.00 H new ATOM 0 HD12 ILE B 14 23.756 -0.214 1.486 1.00 0.00 H new ATOM 0 HD13 ILE B 14 22.185 -0.838 2.043 1.00 0.00 H new ATOM 789 N LEU B 15 25.157 1.776 5.559 1.00 0.00 N0 ATOM 790 CA LEU B 15 26.051 2.919 5.448 1.00 0.00 C0 ATOM 791 C LEU B 15 27.061 2.911 6.586 1.00 0.00 C0 ATOM 792 O LEU B 15 28.261 2.774 6.359 1.00 0.00 O0 ATOM 793 CB LEU B 15 25.239 4.219 5.478 1.00 0.00 C0 ATOM 794 CG LEU B 15 24.858 4.612 4.051 1.00 0.00 C0 ATOM 795 CD1 LEU B 15 23.675 5.579 4.085 1.00 0.00 C0 ATOM 796 CD2 LEU B 15 26.052 5.294 3.379 1.00 0.00 C0 ATOM 0 H LEU B 15 24.201 2.006 5.832 1.00 0.00 H new ATOM 0 HA LEU B 15 26.589 2.855 4.502 1.00 0.00 H new ATOM 0 HB2 LEU B 15 24.342 4.086 6.082 1.00 0.00 H new ATOM 0 HB3 LEU B 15 25.822 5.014 5.943 1.00 0.00 H new ATOM 0 HG LEU B 15 24.581 3.720 3.490 1.00 0.00 H new ATOM 0 HD11 LEU B 15 23.404 5.859 3.067 1.00 0.00 H new ATOM 0 HD12 LEU B 15 22.825 5.097 4.567 1.00 0.00 H new ATOM 0 HD13 LEU B 15 23.951 6.472 4.645 1.00 0.00 H new ATOM 0 HD21 LEU B 15 25.784 5.576 2.361 1.00 0.00 H new ATOM 0 HD22 LEU B 15 26.326 6.186 3.942 1.00 0.00 H new ATOM 0 HD23 LEU B 15 26.897 4.606 3.355 1.00 0.00 H new ATOM 808 N SER B 16 26.573 3.066 7.811 1.00 0.00 N0 ATOM 809 CA SER B 16 27.453 3.075 8.966 1.00 0.00 C0 ATOM 810 C SER B 16 28.343 1.840 8.961 1.00 0.00 C0 ATOM 811 O SER B 16 29.489 1.890 9.411 1.00 0.00 O0 ATOM 812 CB SER B 16 26.621 3.104 10.250 1.00 0.00 C0 ATOM 813 OG SER B 16 25.799 1.946 10.299 1.00 0.00 O0 ATOM 0 H SER B 16 25.583 3.186 8.026 1.00 0.00 H new ATOM 0 HA SER B 16 28.082 3.964 8.921 1.00 0.00 H new ATOM 0 HB2 SER B 16 27.275 3.137 11.121 1.00 0.00 H new ATOM 0 HB3 SER B 16 26.006 4.003 10.279 1.00 0.00 H new ATOM 0 HG SER B 16 25.075 2.031 9.644 1.00 0.00 H new ATOM 819 N ALA B 17 27.819 0.736 8.431 1.00 0.00 N0 ATOM 820 CA ALA B 17 28.588 -0.499 8.360 1.00 0.00 C0 ATOM 821 C ALA B 17 29.803 -0.326 7.445 1.00 0.00 C0 ATOM 822 O ALA B 17 30.932 -0.662 7.811 1.00 0.00 O0 ATOM 823 CB ALA B 17 27.701 -1.627 7.825 1.00 0.00 C0 ATOM 0 H ALA B 17 26.875 0.674 8.049 1.00 0.00 H new ATOM 0 HA ALA B 17 28.938 -0.749 9.362 1.00 0.00 H new ATOM 0 HB1 ALA B 17 28.278 -2.550 7.773 1.00 0.00 H new ATOM 0 HB2 ALA B 17 26.850 -1.768 8.492 1.00 0.00 H new ATOM 0 HB3 ALA B 17 27.342 -1.367 6.829 1.00 0.00 H new ATOM 829 N LEU B 18 29.570 0.213 6.252 1.00 0.00 N0 ATOM 830 CA LEU B 18 30.651 0.429 5.297 1.00 0.00 C0 ATOM 831 C LEU B 18 31.573 1.546 5.770 1.00 0.00 C0 ATOM 832 O LEU B 18 32.757 1.575 5.423 1.00 0.00 O0 ATOM 833 CB LEU B 18 30.074 0.780 3.925 1.00 0.00 C0 ATOM 834 CG LEU B 18 29.388 -0.454 3.330 1.00 0.00 C0 ATOM 835 CD1 LEU B 18 28.553 -0.037 2.119 1.00 0.00 C0 ATOM 836 CD2 LEU B 18 30.448 -1.471 2.892 1.00 0.00 C0 ATOM 0 H LEU B 18 28.649 0.506 5.925 1.00 0.00 H new ATOM 0 HA LEU B 18 31.231 -0.491 5.220 1.00 0.00 H new ATOM 0 HB2 LEU B 18 29.359 1.598 4.017 1.00 0.00 H new ATOM 0 HB3 LEU B 18 30.868 1.124 3.262 1.00 0.00 H new ATOM 0 HG LEU B 18 28.741 -0.906 4.082 1.00 0.00 H new ATOM 0 HD11 LEU B 18 28.064 -0.914 1.695 1.00 0.00 H new ATOM 0 HD12 LEU B 18 27.797 0.685 2.429 1.00 0.00 H new ATOM 0 HD13 LEU B 18 29.201 0.416 1.369 1.00 0.00 H new ATOM 0 HD21 LEU B 18 29.958 -2.348 2.469 1.00 0.00 H new ATOM 0 HD22 LEU B 18 31.096 -1.020 2.141 1.00 0.00 H new ATOM 0 HD23 LEU B 18 31.044 -1.769 3.754 1.00 0.00 H new ATOM 848 N HIS B 19 31.026 2.457 6.569 1.00 0.00 N0 ATOM 849 CA HIS B 19 31.803 3.572 7.099 1.00 0.00 C0 ATOM 850 C HIS B 19 32.893 3.080 8.042 1.00 0.00 C0 ATOM 851 O HIS B 19 34.062 3.449 7.906 1.00 0.00 O0 ATOM 852 CB HIS B 19 30.878 4.541 7.844 1.00 0.00 C0 ATOM 853 CG HIS B 19 31.701 5.433 8.733 1.00 0.00 C0 ATOM 854 ND1 HIS B 19 31.848 5.188 10.089 1.00 0.00 N0 ATOM 855 CD2 HIS B 19 32.432 6.568 8.477 1.00 0.00 C0 ATOM 856 CE1 HIS B 19 32.639 6.152 10.593 1.00 0.00 C0 ATOM 857 NE2 HIS B 19 33.024 7.020 9.654 1.00 0.00 N0 ATOM 0 H HIS B 19 30.049 2.445 6.863 1.00 0.00 H new ATOM 0 HA HIS B 19 32.277 4.085 6.262 1.00 0.00 H new ATOM 0 HB2 HIS B 19 30.312 5.141 7.132 1.00 0.00 H new ATOM 0 HB3 HIS B 19 30.153 3.985 8.439 1.00 0.00 H new ATOM 0 HD2 HIS B 19 32.532 7.038 7.510 1.00 0.00 H new ATOM 0 HE1 HIS B 19 32.928 6.216 11.632 1.00 0.00 H new ATOM 0 HE2 HIS B 19 33.622 7.837 9.773 1.00 0.00 H new ATOM 865 N PHE B 20 32.508 2.241 8.998 1.00 0.00 N0 ATOM 866 CA PHE B 20 33.467 1.703 9.951 1.00 0.00 C0 ATOM 867 C PHE B 20 34.390 0.714 9.261 1.00 0.00 C0 ATOM 868 O PHE B 20 35.527 0.530 9.677 1.00 0.00 O0 ATOM 869 CB PHE B 20 32.738 1.022 11.111 1.00 0.00 C0 ATOM 870 CG PHE B 20 32.732 1.943 12.313 1.00 0.00 C0 ATOM 871 CD1 PHE B 20 31.532 2.512 12.754 1.00 0.00 C0 ATOM 872 CD2 PHE B 20 33.928 2.223 12.986 1.00 0.00 C0 ATOM 873 CE1 PHE B 20 31.526 3.359 13.872 1.00 0.00 C0 ATOM 874 CE2 PHE B 20 33.923 3.070 14.103 1.00 0.00 C0 ATOM 875 CZ PHE B 20 32.722 3.639 14.545 1.00 0.00 C0 ATOM 0 H PHE B 20 31.548 1.922 9.132 1.00 0.00 H new ATOM 0 HA PHE B 20 34.064 2.524 10.348 1.00 0.00 H new ATOM 0 HB2 PHE B 20 31.716 0.779 10.820 1.00 0.00 H new ATOM 0 HB3 PHE B 20 33.230 0.082 11.362 1.00 0.00 H new ATOM 0 HD1 PHE B 20 30.610 2.299 12.233 1.00 0.00 H new ATOM 0 HD2 PHE B 20 34.855 1.786 12.644 1.00 0.00 H new ATOM 0 HE1 PHE B 20 30.599 3.795 14.214 1.00 0.00 H new ATOM 0 HE2 PHE B 20 34.845 3.284 14.623 1.00 0.00 H new ATOM 0 HZ PHE B 20 32.718 4.293 15.404 1.00 0.00 H new ATOM 885 N MET B 21 33.897 0.087 8.196 1.00 0.00 N0 ATOM 886 CA MET B 21 34.706 -0.869 7.455 1.00 0.00 C0 ATOM 887 C MET B 21 35.940 -0.187 6.862 1.00 0.00 C0 ATOM 888 O MET B 21 37.083 -0.594 7.112 1.00 0.00 O0 ATOM 889 CB MET B 21 33.869 -1.478 6.327 1.00 0.00 C0 ATOM 890 CG MET B 21 33.181 -2.749 6.840 1.00 0.00 C0 ATOM 891 SD MET B 21 32.257 -3.526 5.491 1.00 0.00 S0 ATOM 892 CE MET B 21 32.082 -5.165 6.246 1.00 0.00 C0 ATOM 0 H MET B 21 32.954 0.223 7.833 1.00 0.00 H new ATOM 0 HA MET B 21 35.035 -1.652 8.138 1.00 0.00 H new ATOM 0 HB2 MET B 21 33.124 -0.761 5.982 1.00 0.00 H new ATOM 0 HB3 MET B 21 34.504 -1.713 5.473 1.00 0.00 H new ATOM 0 HG2 MET B 21 33.924 -3.443 7.233 1.00 0.00 H new ATOM 0 HG3 MET B 21 32.508 -2.504 7.662 1.00 0.00 H new ATOM 0 HE1 MET B 21 31.531 -5.820 5.571 1.00 0.00 H new ATOM 0 HE2 MET B 21 33.070 -5.586 6.434 1.00 0.00 H new ATOM 0 HE3 MET B 21 31.540 -5.076 7.188 1.00 0.00 H new ATOM 902 N ALA B 22 35.706 0.862 6.078 1.00 0.00 N0 ATOM 903 CA ALA B 22 36.802 1.597 5.462 1.00 0.00 C0 ATOM 904 C ALA B 22 37.678 2.224 6.537 1.00 0.00 C0 ATOM 905 O ALA B 22 38.902 2.237 6.424 1.00 0.00 O0 ATOM 906 CB ALA B 22 36.254 2.684 4.534 1.00 0.00 C0 ATOM 0 H ALA B 22 34.776 1.218 5.857 1.00 0.00 H new ATOM 0 HA ALA B 22 37.403 0.903 4.874 1.00 0.00 H new ATOM 0 HB1 ALA B 22 37.083 3.226 4.080 1.00 0.00 H new ATOM 0 HB2 ALA B 22 35.649 2.224 3.752 1.00 0.00 H new ATOM 0 HB3 ALA B 22 35.639 3.377 5.108 1.00 0.00 H new ATOM 912 N TRP B 23 37.042 2.737 7.587 1.00 0.00 N0 ATOM 913 CA TRP B 23 37.780 3.354 8.680 1.00 0.00 C0 ATOM 914 C TRP B 23 38.742 2.351 9.305 1.00 0.00 C0 ATOM 915 O TRP B 23 39.906 2.666 9.551 1.00 0.00 O0 ATOM 916 CB TRP B 23 36.805 3.871 9.739 1.00 0.00 C0 ATOM 917 CG TRP B 23 36.818 5.363 9.739 1.00 0.00 C0 ATOM 918 CD1 TRP B 23 36.334 6.153 8.754 1.00 0.00 C0 ATOM 919 CD2 TRP B 23 37.337 6.263 10.767 1.00 0.00 C0 ATOM 920 NE1 TRP B 23 36.521 7.476 9.111 1.00 0.00 N0 ATOM 921 CE2 TRP B 23 37.137 7.594 10.342 1.00 0.00 C0 ATOM 922 CE3 TRP B 23 37.954 6.050 12.015 1.00 0.00 C0 ATOM 923 CZ2 TRP B 23 37.537 8.680 11.122 1.00 0.00 C0 ATOM 924 CZ3 TRP B 23 38.357 7.142 12.803 1.00 0.00 C0 ATOM 925 CH2 TRP B 23 38.148 8.454 12.358 1.00 0.00 C0 ATOM 0 H TRP B 23 36.029 2.737 7.702 1.00 0.00 H new ATOM 0 HA TRP B 23 38.357 4.190 8.285 1.00 0.00 H new ATOM 0 HB2 TRP B 23 35.799 3.505 9.533 1.00 0.00 H new ATOM 0 HB3 TRP B 23 37.086 3.494 10.722 1.00 0.00 H new ATOM 0 HD1 TRP B 23 35.876 5.808 7.839 1.00 0.00 H new ATOM 0 HE1 TRP B 23 36.238 8.269 8.535 1.00 0.00 H new ATOM 0 HE3 TRP B 23 38.118 5.043 12.368 1.00 0.00 H new ATOM 0 HZ2 TRP B 23 37.375 9.689 10.772 1.00 0.00 H new ATOM 0 HZ3 TRP B 23 38.831 6.969 13.758 1.00 0.00 H new ATOM 0 HH2 TRP B 23 38.458 9.289 12.969 1.00 0.00 H new ATOM 936 N THR B 24 38.248 1.146 9.567 1.00 0.00 N0 ATOM 937 CA THR B 24 39.068 0.106 10.167 1.00 0.00 C0 ATOM 938 C THR B 24 40.306 -0.130 9.317 1.00 0.00 C0 ATOM 939 O THR B 24 41.421 -0.226 9.832 1.00 0.00 O0 ATOM 940 CB THR B 24 38.263 -1.192 10.276 1.00 0.00 C0 ATOM 941 OG1 THR B 24 37.163 -0.996 11.154 1.00 0.00 O0 ATOM 942 CG2 THR B 24 39.156 -2.312 10.812 1.00 0.00 C0 ATOM 0 H THR B 24 37.286 0.868 9.373 1.00 0.00 H new ATOM 0 HA THR B 24 39.373 0.424 11.164 1.00 0.00 H new ATOM 0 HB THR B 24 37.894 -1.471 9.289 1.00 0.00 H new ATOM 0 HG1 THR B 24 36.590 -0.282 10.806 1.00 0.00 H new ATOM 0 HG21 THR B 24 38.578 -3.233 10.888 1.00 0.00 H new ATOM 0 HG22 THR B 24 39.995 -2.465 10.133 1.00 0.00 H new ATOM 0 HG23 THR B 24 39.532 -2.037 11.798 1.00 0.00 H new ATOM 950 N ILE B 25 40.110 -0.211 8.009 1.00 0.00 N0 ATOM 951 CA ILE B 25 41.231 -0.422 7.097 1.00 0.00 C0 ATOM 952 C ILE B 25 42.181 0.777 7.144 1.00 0.00 C0 ATOM 953 O ILE B 25 43.402 0.627 7.097 1.00 0.00 O0 ATOM 954 CB ILE B 25 40.714 -0.621 5.669 1.00 0.00 C0 ATOM 955 CG1 ILE B 25 39.844 -1.881 5.623 1.00 0.00 C0 ATOM 956 CG2 ILE B 25 41.898 -0.795 4.715 1.00 0.00 C0 ATOM 957 CD1 ILE B 25 39.095 -1.934 4.291 1.00 0.00 C0 ATOM 0 H ILE B 25 39.199 -0.135 7.557 1.00 0.00 H new ATOM 0 HA ILE B 25 41.773 -1.315 7.407 1.00 0.00 H new ATOM 0 HB ILE B 25 40.129 0.248 5.368 1.00 0.00 H new ATOM 0 HG12 ILE B 25 40.465 -2.769 5.739 1.00 0.00 H new ATOM 0 HG13 ILE B 25 39.135 -1.877 6.451 1.00 0.00 H new ATOM 0 HG21 ILE B 25 41.529 -0.937 3.699 1.00 0.00 H new ATOM 0 HG22 ILE B 25 42.528 0.093 4.752 1.00 0.00 H new ATOM 0 HG23 ILE B 25 42.481 -1.666 5.014 1.00 0.00 H new ATOM 0 HD11 ILE B 25 38.476 -2.830 4.257 1.00 0.00 H new ATOM 0 HD12 ILE B 25 38.462 -1.052 4.194 1.00 0.00 H new ATOM 0 HD13 ILE B 25 39.813 -1.958 3.471 1.00 0.00 H new ATOM 969 N GLY B 26 41.600 1.968 7.235 1.00 0.00 N0 ATOM 970 CA GLY B 26 42.395 3.192 7.291 1.00 0.00 C0 ATOM 971 C GLY B 26 43.307 3.198 8.514 1.00 0.00 C0 ATOM 972 O GLY B 26 44.500 3.491 8.413 1.00 0.00 O0 ATOM 0 H GLY B 26 40.591 2.113 7.271 1.00 0.00 H new ATOM 0 HA2 GLY B 26 42.995 3.282 6.385 1.00 0.00 H new ATOM 0 HA3 GLY B 26 41.734 4.058 7.322 1.00 0.00 H new ATOM 976 N HIS B 27 42.737 2.868 9.670 1.00 0.00 N0 ATOM 977 CA HIS B 27 43.505 2.832 10.911 1.00 0.00 C0 ATOM 978 C HIS B 27 44.609 1.784 10.828 1.00 0.00 C0 ATOM 979 O HIS B 27 45.720 2.001 11.312 1.00 0.00 O0 ATOM 980 CB HIS B 27 42.583 2.514 12.090 1.00 0.00 C0 ATOM 981 CG HIS B 27 42.464 3.724 12.976 1.00 0.00 C0 ATOM 982 ND1 HIS B 27 41.321 4.506 13.016 1.00 0.00 N0 ATOM 983 CD2 HIS B 27 43.341 4.297 13.863 1.00 0.00 C0 ATOM 984 CE1 HIS B 27 41.537 5.496 13.903 1.00 0.00 C0 ATOM 985 NE2 HIS B 27 42.754 5.414 14.448 1.00 0.00 N0 ATOM 0 H HIS B 27 41.752 2.623 9.773 1.00 0.00 H new ATOM 0 HA HIS B 27 43.960 3.811 11.062 1.00 0.00 H new ATOM 0 HB2 HIS B 27 41.599 2.219 11.726 1.00 0.00 H new ATOM 0 HB3 HIS B 27 42.979 1.672 12.658 1.00 0.00 H new ATOM 0 HD2 HIS B 27 44.336 3.935 14.075 1.00 0.00 H new ATOM 0 HE1 HIS B 27 40.815 6.262 14.144 1.00 0.00 H new ATOM 0 HE2 HIS B 27 43.165 6.037 15.144 1.00 0.00 H new ATOM 993 N LEU B 28 44.296 0.654 10.207 1.00 0.00 N0 ATOM 994 CA LEU B 28 45.273 -0.418 10.057 1.00 0.00 C0 ATOM 995 C LEU B 28 46.268 -0.090 8.946 1.00 0.00 C0 ATOM 996 O LEU B 28 47.371 -0.634 8.906 1.00 0.00 O0 ATOM 997 CB LEU B 28 44.558 -1.730 9.736 1.00 0.00 C0 ATOM 998 CG LEU B 28 43.650 -2.115 10.907 1.00 0.00 C0 ATOM 999 CD1 LEU B 28 42.762 -3.291 10.497 1.00 0.00 C0 ATOM 1000 CD2 LEU B 28 44.510 -2.516 12.112 1.00 0.00 C0 ATOM 0 H LEU B 28 43.381 0.456 9.802 1.00 0.00 H new ATOM 0 HA LEU B 28 45.819 -0.521 10.995 1.00 0.00 H new ATOM 0 HB2 LEU B 28 43.969 -1.622 8.825 1.00 0.00 H new ATOM 0 HB3 LEU B 28 45.287 -2.519 9.553 1.00 0.00 H new ATOM 0 HG LEU B 28 43.024 -1.265 11.177 1.00 0.00 H new ATOM 0 HD11 LEU B 28 42.115 -3.566 11.330 1.00 0.00 H new ATOM 0 HD12 LEU B 28 42.150 -3.004 9.642 1.00 0.00 H new ATOM 0 HD13 LEU B 28 43.387 -4.142 10.227 1.00 0.00 H new ATOM 0 HD21 LEU B 28 43.863 -2.790 12.946 1.00 0.00 H new ATOM 0 HD22 LEU B 28 45.137 -3.366 11.845 1.00 0.00 H new ATOM 0 HD23 LEU B 28 45.142 -1.677 12.404 1.00 0.00 H new ATOM 1177 N PHE C 5 10.306 3.535 14.753 1.00 0.00 N0 ATOM 1178 CA PHE C 5 11.110 4.747 14.794 1.00 0.00 C0 ATOM 1179 C PHE C 5 12.025 4.734 16.010 1.00 0.00 C0 ATOM 1180 O PHE C 5 13.138 5.254 15.963 1.00 0.00 O0 ATOM 1181 CB PHE C 5 10.203 5.978 14.845 1.00 0.00 C0 ATOM 1182 CG PHE C 5 10.663 6.895 15.954 1.00 0.00 C0 ATOM 1183 CD1 PHE C 5 11.675 7.833 15.717 1.00 0.00 C0 ATOM 1184 CD2 PHE C 5 10.085 6.798 17.225 1.00 0.00 C0 ATOM 1185 CE1 PHE C 5 12.109 8.673 16.750 1.00 0.00 C0 ATOM 1186 CE2 PHE C 5 10.515 7.640 18.258 1.00 0.00 C0 ATOM 1187 CZ PHE C 5 11.529 8.577 18.021 1.00 0.00 C0 ATOM 0 HA PHE C 5 11.720 4.788 13.892 1.00 0.00 H new ATOM 0 HB2 PHE C 5 10.230 6.503 13.890 1.00 0.00 H new ATOM 0 HB3 PHE C 5 9.170 5.675 15.014 1.00 0.00 H new ATOM 0 HD1 PHE C 5 12.121 7.909 14.737 1.00 0.00 H new ATOM 0 HD2 PHE C 5 9.306 6.073 17.409 1.00 0.00 H new ATOM 0 HE1 PHE C 5 12.891 9.395 16.566 1.00 0.00 H new ATOM 0 HE2 PHE C 5 10.065 7.567 19.237 1.00 0.00 H new ATOM 0 HZ PHE C 5 11.863 9.225 18.818 1.00 0.00 H new ATOM 1197 N GLN C 6 11.550 4.132 17.096 1.00 0.00 N0 ATOM 1198 CA GLN C 6 12.339 4.058 18.317 1.00 0.00 C0 ATOM 1199 C GLN C 6 13.605 3.241 18.097 1.00 0.00 C0 ATOM 1200 O GLN C 6 14.661 3.571 18.632 1.00 0.00 O0 ATOM 1201 CB GLN C 6 11.516 3.433 19.440 1.00 0.00 C0 ATOM 1202 CG GLN C 6 10.539 4.472 19.988 1.00 0.00 C0 ATOM 1203 CD GLN C 6 11.260 5.414 20.950 1.00 0.00 C0 ATOM 1204 OE1 GLN C 6 11.832 6.419 20.526 1.00 0.00 O0 ATOM 1205 NE2 GLN C 6 11.264 5.148 22.228 1.00 0.00 N0 ATOM 0 H GLN C 6 10.631 3.693 17.154 1.00 0.00 H new ATOM 0 HA GLN C 6 12.622 5.073 18.597 1.00 0.00 H new ATOM 0 HB2 GLN C 6 10.971 2.565 19.068 1.00 0.00 H new ATOM 0 HB3 GLN C 6 12.173 3.080 20.235 1.00 0.00 H new ATOM 0 HG2 GLN C 6 10.103 5.042 19.167 1.00 0.00 H new ATOM 0 HG3 GLN C 6 9.717 3.974 20.502 1.00 0.00 H new ATOM 0 HE21 GLN C 6 10.790 4.315 22.577 1.00 0.00 H new ATOM 0 HE22 GLN C 6 11.741 5.773 22.878 1.00 0.00 H new ATOM 1214 N ILE C 7 13.490 2.173 17.314 1.00 0.00 N0 ATOM 1215 CA ILE C 7 14.637 1.317 17.040 1.00 0.00 C0 ATOM 1216 C ILE C 7 15.698 2.073 16.253 1.00 0.00 C0 ATOM 1217 O ILE C 7 16.869 2.088 16.627 1.00 0.00 O0 ATOM 1218 CB ILE C 7 14.187 0.101 16.238 1.00 0.00 C0 ATOM 1219 CG1 ILE C 7 13.250 -0.753 17.092 1.00 0.00 C0 ATOM 1220 CG2 ILE C 7 15.407 -0.731 15.839 1.00 0.00 C0 ATOM 1221 CD1 ILE C 7 12.559 -1.798 16.215 1.00 0.00 C0 ATOM 0 H ILE C 7 12.623 1.882 16.862 1.00 0.00 H new ATOM 0 HA ILE C 7 15.065 0.999 17.990 1.00 0.00 H new ATOM 0 HB ILE C 7 13.665 0.433 15.341 1.00 0.00 H new ATOM 0 HG12 ILE C 7 13.813 -1.245 17.885 1.00 0.00 H new ATOM 0 HG13 ILE C 7 12.505 -0.120 17.575 1.00 0.00 H new ATOM 0 HG21 ILE C 7 15.083 -1.600 15.266 1.00 0.00 H new ATOM 0 HG22 ILE C 7 16.078 -0.124 15.231 1.00 0.00 H new ATOM 0 HG23 ILE C 7 15.930 -1.063 16.736 1.00 0.00 H new ATOM 0 HD11 ILE C 7 11.892 -2.404 16.828 1.00 0.00 H new ATOM 0 HD12 ILE C 7 11.982 -1.297 15.438 1.00 0.00 H new ATOM 0 HD13 ILE C 7 13.310 -2.439 15.753 1.00 0.00 H new ATOM 1233 N LEU C 8 15.283 2.700 15.161 1.00 0.00 N0 ATOM 1234 CA LEU C 8 16.215 3.452 14.328 1.00 0.00 C0 ATOM 1235 C LEU C 8 16.771 4.650 15.085 1.00 0.00 C0 ATOM 1236 O LEU C 8 17.931 5.027 14.904 1.00 0.00 O0 ATOM 1237 CB LEU C 8 15.520 3.931 13.052 1.00 0.00 C0 ATOM 1238 CG LEU C 8 16.541 4.572 12.104 1.00 0.00 C0 ATOM 1239 CD1 LEU C 8 17.410 3.483 11.465 1.00 0.00 C0 ATOM 1240 CD2 LEU C 8 15.804 5.343 11.006 1.00 0.00 C0 ATOM 0 H LEU C 8 14.317 2.704 14.832 1.00 0.00 H new ATOM 0 HA LEU C 8 17.039 2.790 14.063 1.00 0.00 H new ATOM 0 HB2 LEU C 8 15.031 3.091 12.558 1.00 0.00 H new ATOM 0 HB3 LEU C 8 14.741 4.652 13.301 1.00 0.00 H new ATOM 0 HG LEU C 8 17.176 5.255 12.668 1.00 0.00 H new ATOM 0 HD11 LEU C 8 18.134 3.943 10.792 1.00 0.00 H new ATOM 0 HD12 LEU C 8 17.937 2.934 12.245 1.00 0.00 H new ATOM 0 HD13 LEU C 8 16.778 2.796 10.903 1.00 0.00 H new ATOM 0 HD21 LEU C 8 16.529 5.799 10.332 1.00 0.00 H new ATOM 0 HD22 LEU C 8 15.168 4.658 10.445 1.00 0.00 H new ATOM 0 HD23 LEU C 8 15.189 6.122 11.458 1.00 0.00 H new ATOM 1252 N SER C 9 15.938 5.243 15.931 1.00 0.00 N0 ATOM 1253 CA SER C 9 16.354 6.400 16.709 1.00 0.00 C0 ATOM 1254 C SER C 9 17.404 6.008 17.744 1.00 0.00 C0 ATOM 1255 O SER C 9 18.442 6.660 17.869 1.00 0.00 O0 ATOM 1256 CB SER C 9 15.146 7.011 17.416 1.00 0.00 C0 ATOM 1257 OG SER C 9 14.639 6.078 18.358 1.00 0.00 O0 ATOM 0 H SER C 9 14.977 4.943 16.094 1.00 0.00 H new ATOM 0 HA SER C 9 16.790 7.131 16.029 1.00 0.00 H new ATOM 0 HB2 SER C 9 15.432 7.935 17.918 1.00 0.00 H new ATOM 0 HB3 SER C 9 14.375 7.268 16.689 1.00 0.00 H new ATOM 0 HG SER C 9 14.808 5.167 18.039 1.00 0.00 H new ATOM 1263 N ILE C 10 17.123 4.936 18.475 1.00 0.00 N0 ATOM 1264 CA ILE C 10 18.044 4.455 19.495 1.00 0.00 C0 ATOM 1265 C ILE C 10 19.360 4.030 18.866 1.00 0.00 C0 ATOM 1266 O ILE C 10 20.421 4.278 19.432 1.00 0.00 O0 ATOM 1267 CB ILE C 10 17.437 3.275 20.258 1.00 0.00 C0 ATOM 1268 CG1 ILE C 10 16.334 3.790 21.191 1.00 0.00 C0 ATOM 1269 CG2 ILE C 10 18.529 2.571 21.080 1.00 0.00 C0 ATOM 1270 CD1 ILE C 10 16.956 4.342 22.481 1.00 0.00 C0 ATOM 0 H ILE C 10 16.269 4.386 18.381 1.00 0.00 H new ATOM 0 HA ILE C 10 18.229 5.271 20.193 1.00 0.00 H new ATOM 0 HB ILE C 10 17.012 2.563 19.551 1.00 0.00 H new ATOM 0 HG12 ILE C 10 15.758 4.570 20.692 1.00 0.00 H new ATOM 0 HG13 ILE C 10 15.640 2.983 21.428 1.00 0.00 H new ATOM 0 HG21 ILE C 10 18.093 1.732 21.622 1.00 0.00 H new ATOM 0 HG22 ILE C 10 19.309 2.206 20.412 1.00 0.00 H new ATOM 0 HG23 ILE C 10 18.961 3.276 21.790 1.00 0.00 H new ATOM 0 HD11 ILE C 10 16.167 4.706 23.139 1.00 0.00 H new ATOM 0 HD12 ILE C 10 17.512 3.551 22.984 1.00 0.00 H new ATOM 0 HD13 ILE C 10 17.632 5.162 22.237 1.00 0.00 H new ATOM 1282 N CYS C 11 19.281 3.387 17.699 1.00 0.00 N0 ATOM 1283 CA CYS C 11 20.480 2.929 17.008 1.00 0.00 C0 ATOM 1284 C CYS C 11 21.378 4.106 16.637 1.00 0.00 C0 ATOM 1285 O CYS C 11 22.582 4.085 16.897 1.00 0.00 O0 ATOM 1286 CB CYS C 11 20.082 2.176 15.737 1.00 0.00 C0 ATOM 1287 SG CYS C 11 19.303 0.606 16.184 1.00 0.00 S0 ATOM 0 H CYS C 11 18.406 3.175 17.219 1.00 0.00 H new ATOM 0 HA CYS C 11 21.031 2.268 17.677 1.00 0.00 H new ATOM 0 HB2 CYS C 11 19.394 2.779 15.144 1.00 0.00 H new ATOM 0 HB3 CYS C 11 20.961 1.995 15.119 1.00 0.00 H new ATOM 0 HG CYS C 11 18.064 0.815 16.516 1.00 0.00 H new ATOM 1293 N SER C 12 20.801 5.128 16.018 1.00 0.00 N0 ATOM 1294 CA SER C 12 21.585 6.284 15.616 1.00 0.00 C0 ATOM 1295 C SER C 12 22.190 6.965 16.835 1.00 0.00 C0 ATOM 1296 O SER C 12 23.343 7.400 16.805 1.00 0.00 O0 ATOM 1297 CB SER C 12 20.696 7.275 14.873 1.00 0.00 C0 ATOM 1298 OG SER C 12 19.683 7.741 15.756 1.00 0.00 O0 ATOM 0 H SER C 12 19.809 5.179 15.787 1.00 0.00 H new ATOM 0 HA SER C 12 22.389 5.949 14.961 1.00 0.00 H new ATOM 0 HB2 SER C 12 21.290 8.112 14.506 1.00 0.00 H new ATOM 0 HB3 SER C 12 20.246 6.798 14.002 1.00 0.00 H new ATOM 0 HG SER C 12 19.381 7.003 16.326 1.00 0.00 H new ATOM 1304 N PHE C 13 21.404 7.066 17.903 1.00 0.00 N0 ATOM 1305 CA PHE C 13 21.871 7.712 19.126 1.00 0.00 C0 ATOM 1306 C PHE C 13 23.137 7.038 19.651 1.00 0.00 C0 ATOM 1307 O PHE C 13 24.142 7.704 19.909 1.00 0.00 O0 ATOM 1308 CB PHE C 13 20.781 7.632 20.199 1.00 0.00 C0 ATOM 1309 CG PHE C 13 20.039 8.945 20.273 1.00 0.00 C0 ATOM 1310 CD1 PHE C 13 19.409 9.460 19.136 1.00 0.00 C0 ATOM 1311 CD2 PHE C 13 19.982 9.647 21.485 1.00 0.00 C0 ATOM 1312 CE1 PHE C 13 18.724 10.677 19.207 1.00 0.00 C0 ATOM 1313 CE2 PHE C 13 19.295 10.865 21.555 1.00 0.00 C0 ATOM 1314 CZ PHE C 13 18.667 11.380 20.415 1.00 0.00 C0 ATOM 0 H PHE C 13 20.448 6.712 17.947 1.00 0.00 H new ATOM 0 HA PHE C 13 22.096 8.753 18.896 1.00 0.00 H new ATOM 0 HB2 PHE C 13 20.087 6.824 19.966 1.00 0.00 H new ATOM 0 HB3 PHE C 13 21.227 7.400 21.166 1.00 0.00 H new ATOM 0 HD1 PHE C 13 19.451 8.918 18.203 1.00 0.00 H new ATOM 0 HD2 PHE C 13 20.467 9.249 22.364 1.00 0.00 H new ATOM 0 HE1 PHE C 13 18.238 11.075 18.328 1.00 0.00 H new ATOM 0 HE2 PHE C 13 19.250 11.407 22.488 1.00 0.00 H new ATOM 0 HZ PHE C 13 18.138 12.320 20.468 1.00 0.00 H new ATOM 1324 N ILE C 14 23.087 5.719 19.802 1.00 0.00 N0 ATOM 1325 CA ILE C 14 24.237 4.977 20.301 1.00 0.00 C0 ATOM 1326 C ILE C 14 25.370 4.991 19.279 1.00 0.00 C0 ATOM 1327 O ILE C 14 26.542 4.852 19.636 1.00 0.00 O0 ATOM 1328 CB ILE C 14 23.828 3.534 20.610 1.00 0.00 C0 ATOM 1329 CG1 ILE C 14 23.347 2.847 19.325 1.00 0.00 C0 ATOM 1330 CG2 ILE C 14 22.688 3.537 21.634 1.00 0.00 C0 ATOM 1331 CD1 ILE C 14 23.159 1.351 19.580 1.00 0.00 C0 ATOM 0 H ILE C 14 22.270 5.147 19.588 1.00 0.00 H new ATOM 0 HA ILE C 14 24.591 5.455 21.215 1.00 0.00 H new ATOM 0 HB ILE C 14 24.686 2.995 21.013 1.00 0.00 H new ATOM 0 HG12 ILE C 14 22.408 3.290 18.994 1.00 0.00 H new ATOM 0 HG13 ILE C 14 24.072 3.001 18.525 1.00 0.00 H new ATOM 0 HG21 ILE C 14 22.395 2.511 21.855 1.00 0.00 H new ATOM 0 HG22 ILE C 14 23.023 4.025 22.550 1.00 0.00 H new ATOM 0 HG23 ILE C 14 21.834 4.078 21.226 1.00 0.00 H new ATOM 0 HD11 ILE C 14 22.817 0.866 18.666 1.00 0.00 H new ATOM 0 HD12 ILE C 14 24.108 0.913 19.891 1.00 0.00 H new ATOM 0 HD13 ILE C 14 22.418 1.206 20.366 1.00 0.00 H new ATOM 1343 N LEU C 15 25.023 5.169 18.010 1.00 0.00 N0 ATOM 1344 CA LEU C 15 26.026 5.207 16.956 1.00 0.00 C0 ATOM 1345 C LEU C 15 26.839 6.490 17.047 1.00 0.00 C0 ATOM 1346 O LEU C 15 28.044 6.454 17.283 1.00 0.00 O0 ATOM 1347 CB LEU C 15 25.346 5.117 15.588 1.00 0.00 C0 ATOM 1348 CG LEU C 15 25.234 3.649 15.171 1.00 0.00 C0 ATOM 1349 CD1 LEU C 15 24.157 3.501 14.095 1.00 0.00 C0 ATOM 1350 CD2 LEU C 15 26.580 3.181 14.610 1.00 0.00 C0 ATOM 0 H LEU C 15 24.062 5.288 17.689 1.00 0.00 H new ATOM 0 HA LEU C 15 26.697 4.357 17.079 1.00 0.00 H new ATOM 0 HB2 LEU C 15 24.356 5.571 15.631 1.00 0.00 H new ATOM 0 HB3 LEU C 15 25.920 5.674 14.847 1.00 0.00 H new ATOM 0 HG LEU C 15 24.965 3.044 16.037 1.00 0.00 H new ATOM 0 HD11 LEU C 15 24.079 2.455 13.800 1.00 0.00 H new ATOM 0 HD12 LEU C 15 23.199 3.839 14.490 1.00 0.00 H new ATOM 0 HD13 LEU C 15 24.424 4.104 13.227 1.00 0.00 H new ATOM 0 HD21 LEU C 15 26.506 2.135 14.311 1.00 0.00 H new ATOM 0 HD22 LEU C 15 26.844 3.788 13.744 1.00 0.00 H new ATOM 0 HD23 LEU C 15 27.349 3.286 15.375 1.00 0.00 H new ATOM 1362 N SER C 16 26.178 7.624 16.850 1.00 0.00 N0 ATOM 1363 CA SER C 16 26.860 8.905 16.911 1.00 0.00 C0 ATOM 1364 C SER C 16 27.623 9.033 18.223 1.00 0.00 C0 ATOM 1365 O SER C 16 28.681 9.661 18.274 1.00 0.00 O0 ATOM 1366 CB SER C 16 25.842 10.040 16.795 1.00 0.00 C0 ATOM 1367 OG SER C 16 24.915 9.947 17.868 1.00 0.00 O0 ATOM 0 H SER C 16 25.180 7.681 16.649 1.00 0.00 H new ATOM 0 HA SER C 16 27.566 8.967 16.083 1.00 0.00 H new ATOM 0 HB2 SER C 16 26.350 11.004 16.820 1.00 0.00 H new ATOM 0 HB3 SER C 16 25.319 9.980 15.841 1.00 0.00 H new ATOM 0 HG SER C 16 24.325 9.178 17.725 1.00 0.00 H new ATOM 1373 N ALA C 17 27.089 8.421 19.279 1.00 0.00 N0 ATOM 1374 CA ALA C 17 27.744 8.466 20.580 1.00 0.00 C0 ATOM 1375 C ALA C 17 29.099 7.757 20.525 1.00 0.00 C0 ATOM 1376 O ALA C 17 30.120 8.295 20.960 1.00 0.00 O0 ATOM 1377 CB ALA C 17 26.851 7.794 21.626 1.00 0.00 C0 ATOM 0 H ALA C 17 26.215 7.895 19.258 1.00 0.00 H new ATOM 0 HA ALA C 17 27.909 9.508 20.854 1.00 0.00 H new ATOM 0 HB1 ALA C 17 27.341 7.828 22.599 1.00 0.00 H new ATOM 0 HB2 ALA C 17 25.897 8.319 21.682 1.00 0.00 H new ATOM 0 HB3 ALA C 17 26.677 6.756 21.343 1.00 0.00 H new ATOM 1383 N LEU C 18 29.105 6.545 19.979 1.00 0.00 N0 ATOM 1384 CA LEU C 18 30.338 5.774 19.871 1.00 0.00 C0 ATOM 1385 C LEU C 18 31.274 6.394 18.842 1.00 0.00 C0 ATOM 1386 O LEU C 18 32.496 6.239 18.927 1.00 0.00 O0 ATOM 1387 CB LEU C 18 30.022 4.329 19.480 1.00 0.00 C0 ATOM 1388 CG LEU C 18 29.327 3.626 20.649 1.00 0.00 C0 ATOM 1389 CD1 LEU C 18 28.739 2.299 20.167 1.00 0.00 C0 ATOM 1390 CD2 LEU C 18 30.346 3.353 21.764 1.00 0.00 C0 ATOM 0 H LEU C 18 28.277 6.079 19.607 1.00 0.00 H new ATOM 0 HA LEU C 18 30.833 5.784 20.842 1.00 0.00 H new ATOM 0 HB2 LEU C 18 29.382 4.311 18.598 1.00 0.00 H new ATOM 0 HB3 LEU C 18 30.940 3.802 19.218 1.00 0.00 H new ATOM 0 HG LEU C 18 28.530 4.263 21.032 1.00 0.00 H new ATOM 0 HD11 LEU C 18 28.244 1.797 20.998 1.00 0.00 H new ATOM 0 HD12 LEU C 18 28.015 2.488 19.374 1.00 0.00 H new ATOM 0 HD13 LEU C 18 29.538 1.664 19.784 1.00 0.00 H new ATOM 0 HD21 LEU C 18 29.850 2.853 22.596 1.00 0.00 H new ATOM 0 HD22 LEU C 18 31.143 2.716 21.380 1.00 0.00 H new ATOM 0 HD23 LEU C 18 30.770 4.296 22.109 1.00 0.00 H new ATOM 1402 N HIS C 19 30.696 7.101 17.876 1.00 0.00 N0 ATOM 1403 CA HIS C 19 31.479 7.755 16.834 1.00 0.00 C0 ATOM 1404 C HIS C 19 32.354 8.856 17.416 1.00 0.00 C0 ATOM 1405 O HIS C 19 33.558 8.910 17.156 1.00 0.00 O0 ATOM 1406 CB HIS C 19 30.543 8.349 15.776 1.00 0.00 C0 ATOM 1407 CG HIS C 19 31.293 9.364 14.959 1.00 0.00 C0 ATOM 1408 ND1 HIS C 19 31.200 10.724 15.208 1.00 0.00 N0 ATOM 1409 CD2 HIS C 19 32.158 9.235 13.900 1.00 0.00 C0 ATOM 1410 CE1 HIS C 19 31.986 11.356 14.319 1.00 0.00 C0 ATOM 1411 NE2 HIS C 19 32.595 10.495 13.497 1.00 0.00 N0 ATOM 0 H HIS C 19 29.688 7.236 17.793 1.00 0.00 H new ATOM 0 HA HIS C 19 32.126 7.007 16.375 1.00 0.00 H new ATOM 0 HB2 HIS C 19 30.158 7.559 15.131 1.00 0.00 H new ATOM 0 HB3 HIS C 19 29.683 8.816 16.256 1.00 0.00 H new ATOM 0 HD2 HIS C 19 32.454 8.300 13.449 1.00 0.00 H new ATOM 0 HE1 HIS C 19 32.110 12.428 14.274 1.00 0.00 H new ATOM 0 HE2 HIS C 19 33.241 10.714 12.738 1.00 0.00 H new ATOM 1419 N PHE C 20 31.747 9.732 18.208 1.00 0.00 N0 ATOM 1420 CA PHE C 20 32.489 10.822 18.825 1.00 0.00 C0 ATOM 1421 C PHE C 20 33.415 10.280 19.899 1.00 0.00 C0 ATOM 1422 O PHE C 20 34.451 10.870 20.183 1.00 0.00 O0 ATOM 1423 CB PHE C 20 31.524 11.849 19.425 1.00 0.00 C0 ATOM 1424 CG PHE C 20 31.413 13.037 18.496 1.00 0.00 C0 ATOM 1425 CD1 PHE C 20 30.216 13.285 17.813 1.00 0.00 C0 ATOM 1426 CD2 PHE C 20 32.506 13.894 18.323 1.00 0.00 C0 ATOM 1427 CE1 PHE C 20 30.113 14.389 16.955 1.00 0.00 C0 ATOM 1428 CE2 PHE C 20 32.404 14.999 17.464 1.00 0.00 C0 ATOM 1429 CZ PHE C 20 31.206 15.246 16.780 1.00 0.00 C0 ATOM 0 H PHE C 20 30.753 9.709 18.436 1.00 0.00 H new ATOM 0 HA PHE C 20 33.089 11.315 18.060 1.00 0.00 H new ATOM 0 HB2 PHE C 20 30.543 11.398 19.575 1.00 0.00 H new ATOM 0 HB3 PHE C 20 31.880 12.171 20.404 1.00 0.00 H new ATOM 0 HD1 PHE C 20 29.371 12.625 17.947 1.00 0.00 H new ATOM 0 HD2 PHE C 20 33.429 13.705 18.851 1.00 0.00 H new ATOM 0 HE1 PHE C 20 29.189 14.579 16.428 1.00 0.00 H new ATOM 0 HE2 PHE C 20 33.248 15.659 17.330 1.00 0.00 H new ATOM 0 HZ PHE C 20 31.126 16.096 16.119 1.00 0.00 H new ATOM 1439 N MET C 21 33.042 9.148 20.489 1.00 0.00 N0 ATOM 1440 CA MET C 21 33.867 8.540 21.523 1.00 0.00 C0 ATOM 1441 C MET C 21 35.236 8.155 20.963 1.00 0.00 C0 ATOM 1442 O MET C 21 36.283 8.585 21.470 1.00 0.00 O0 ATOM 1443 CB MET C 21 33.166 7.291 22.065 1.00 0.00 C0 ATOM 1444 CG MET C 21 32.287 7.679 23.260 1.00 0.00 C0 ATOM 1445 SD MET C 21 31.516 6.196 23.953 1.00 0.00 S0 ATOM 1446 CE MET C 21 31.073 6.900 25.563 1.00 0.00 C0 ATOM 0 H MET C 21 32.185 8.640 20.271 1.00 0.00 H new ATOM 0 HA MET C 21 34.010 9.263 22.326 1.00 0.00 H new ATOM 0 HB2 MET C 21 32.557 6.835 21.285 1.00 0.00 H new ATOM 0 HB3 MET C 21 33.904 6.549 22.368 1.00 0.00 H new ATOM 0 HG2 MET C 21 32.888 8.177 24.020 1.00 0.00 H new ATOM 0 HG3 MET C 21 31.520 8.387 22.946 1.00 0.00 H new ATOM 0 HE1 MET C 21 30.575 6.142 26.167 1.00 0.00 H new ATOM 0 HE2 MET C 21 31.975 7.236 26.074 1.00 0.00 H new ATOM 0 HE3 MET C 21 30.402 7.747 25.418 1.00 0.00 H new ATOM 1456 N ALA C 22 35.228 7.347 19.907 1.00 0.00 N0 ATOM 1457 CA ALA C 22 36.471 6.917 19.283 1.00 0.00 C0 ATOM 1458 C ALA C 22 37.220 8.121 18.731 1.00 0.00 C0 ATOM 1459 O ALA C 22 38.442 8.203 18.831 1.00 0.00 O0 ATOM 1460 CB ALA C 22 36.183 5.924 18.159 1.00 0.00 C0 ATOM 0 H ALA C 22 34.382 6.981 19.470 1.00 0.00 H new ATOM 0 HA ALA C 22 37.089 6.427 20.035 1.00 0.00 H new ATOM 0 HB1 ALA C 22 37.121 5.611 17.701 1.00 0.00 H new ATOM 0 HB2 ALA C 22 35.669 5.053 18.566 1.00 0.00 H new ATOM 0 HB3 ALA C 22 35.553 6.399 17.407 1.00 0.00 H new ATOM 1466 N TRP C 23 36.476 9.061 18.151 1.00 0.00 N0 ATOM 1467 CA TRP C 23 37.087 10.261 17.596 1.00 0.00 C0 ATOM 1468 C TRP C 23 37.838 11.025 18.680 1.00 0.00 C0 ATOM 1469 O TRP C 23 38.973 11.455 18.473 1.00 0.00 O0 ATOM 1470 CB TRP C 23 36.011 11.158 16.981 1.00 0.00 C0 ATOM 1471 CG TRP C 23 36.164 11.175 15.496 1.00 0.00 C0 ATOM 1472 CD1 TRP C 23 35.919 10.128 14.675 1.00 0.00 C0 ATOM 1473 CD2 TRP C 23 36.590 12.276 14.641 1.00 0.00 C0 ATOM 1474 NE1 TRP C 23 36.166 10.517 13.371 1.00 0.00 N0 ATOM 1475 CE2 TRP C 23 36.583 11.831 13.298 1.00 0.00 C0 ATOM 1476 CE3 TRP C 23 36.976 13.603 14.898 1.00 0.00 C0 ATOM 1477 CZ2 TRP C 23 36.950 12.673 12.247 1.00 0.00 C0 ATOM 1478 CZ3 TRP C 23 37.345 14.454 13.842 1.00 0.00 C0 ATOM 1479 CH2 TRP C 23 37.332 13.989 12.520 1.00 0.00 C0 ATOM 0 H TRP C 23 35.462 9.014 18.055 1.00 0.00 H new ATOM 0 HA TRP C 23 37.794 9.965 16.821 1.00 0.00 H new ATOM 0 HB2 TRP C 23 35.020 10.792 17.251 1.00 0.00 H new ATOM 0 HB3 TRP C 23 36.096 12.170 17.377 1.00 0.00 H new ATOM 0 HD1 TRP C 23 35.585 9.149 14.987 1.00 0.00 H new ATOM 0 HE1 TRP C 23 36.054 9.907 12.561 1.00 0.00 H new ATOM 0 HE3 TRP C 23 36.989 13.971 15.913 1.00 0.00 H new ATOM 0 HZ2 TRP C 23 36.939 12.310 11.230 1.00 0.00 H new ATOM 0 HZ3 TRP C 23 37.640 15.472 14.050 1.00 0.00 H new ATOM 0 HH2 TRP C 23 37.617 14.647 11.713 1.00 0.00 H new ATOM 1490 N THR C 24 37.198 11.194 19.830 1.00 0.00 N0 ATOM 1491 CA THR C 24 37.812 11.910 20.938 1.00 0.00 C0 ATOM 1492 C THR C 24 39.142 11.268 21.294 1.00 0.00 C0 ATOM 1493 O THR C 24 40.147 11.953 21.488 1.00 0.00 O0 ATOM 1494 CB THR C 24 36.882 11.882 22.155 1.00 0.00 C0 ATOM 1495 OG1 THR C 24 35.677 12.571 21.848 1.00 0.00 O0 ATOM 1496 CG2 THR C 24 37.566 12.549 23.348 1.00 0.00 C0 ATOM 0 H THR C 24 36.258 10.846 20.018 1.00 0.00 H new ATOM 0 HA THR C 24 37.982 12.945 20.641 1.00 0.00 H new ATOM 0 HB THR C 24 36.654 10.847 22.408 1.00 0.00 H new ATOM 0 HG1 THR C 24 35.231 12.131 21.094 1.00 0.00 H new ATOM 0 HG21 THR C 24 36.899 12.525 24.210 1.00 0.00 H new ATOM 0 HG22 THR C 24 38.485 12.014 23.586 1.00 0.00 H new ATOM 0 HG23 THR C 24 37.802 13.584 23.100 1.00 0.00 H new ATOM 1504 N ILE C 25 39.148 9.945 21.369 1.00 0.00 N0 ATOM 1505 CA ILE C 25 40.376 9.219 21.691 1.00 0.00 C0 ATOM 1506 C ILE C 25 41.412 9.425 20.585 1.00 0.00 C0 ATOM 1507 O ILE C 25 42.605 9.570 20.848 1.00 0.00 O0 ATOM 1508 CB ILE C 25 40.074 7.728 21.853 1.00 0.00 C0 ATOM 1509 CG1 ILE C 25 39.105 7.535 23.022 1.00 0.00 C0 ATOM 1510 CG2 ILE C 25 41.373 6.971 22.148 1.00 0.00 C0 ATOM 1511 CD1 ILE C 25 38.575 6.101 23.015 1.00 0.00 C0 ATOM 0 H ILE C 25 38.330 9.355 21.214 1.00 0.00 H new ATOM 0 HA ILE C 25 40.779 9.603 22.628 1.00 0.00 H new ATOM 0 HB ILE C 25 39.629 7.345 20.935 1.00 0.00 H new ATOM 0 HG12 ILE C 25 39.611 7.742 23.965 1.00 0.00 H new ATOM 0 HG13 ILE C 25 38.278 8.240 22.942 1.00 0.00 H new ATOM 0 HG21 ILE C 25 41.157 5.909 22.263 1.00 0.00 H new ATOM 0 HG22 ILE C 25 42.072 7.112 21.323 1.00 0.00 H new ATOM 0 HG23 ILE C 25 41.816 7.353 23.068 1.00 0.00 H new ATOM 0 HD11 ILE C 25 37.885 5.964 23.848 1.00 0.00 H new ATOM 0 HD12 ILE C 25 38.054 5.910 22.077 1.00 0.00 H new ATOM 0 HD13 ILE C 25 39.408 5.405 23.116 1.00 0.00 H new ATOM 1523 N GLY C 26 40.938 9.432 19.344 1.00 0.00 N0 ATOM 1524 CA GLY C 26 41.822 9.622 18.199 1.00 0.00 C0 ATOM 1525 C GLY C 26 42.526 10.974 18.268 1.00 0.00 C0 ATOM 1526 O GLY C 26 43.743 11.066 18.086 1.00 0.00 O0 ATOM 0 H GLY C 26 39.954 9.309 19.106 1.00 0.00 H new ATOM 0 HA2 GLY C 26 42.563 8.823 18.171 1.00 0.00 H new ATOM 0 HA3 GLY C 26 41.246 9.555 17.276 1.00 0.00 H new ATOM 1530 N HIS C 27 41.754 12.022 18.536 1.00 0.00 N0 ATOM 1531 CA HIS C 27 42.310 13.369 18.635 1.00 0.00 C0 ATOM 1532 C HIS C 27 43.311 13.453 19.779 1.00 0.00 C0 ATOM 1533 O HIS C 27 44.346 14.107 19.665 1.00 0.00 O0 ATOM 1534 CB HIS C 27 41.186 14.384 18.855 1.00 0.00 C0 ATOM 1535 CG HIS C 27 41.042 15.247 17.630 1.00 0.00 C0 ATOM 1536 ND1 HIS C 27 39.982 15.112 16.748 1.00 0.00 N0 ATOM 1537 CD2 HIS C 27 41.818 16.264 17.132 1.00 0.00 C0 ATOM 1538 CE1 HIS C 27 40.147 16.027 15.773 1.00 0.00 C0 ATOM 1539 NE2 HIS C 27 41.251 16.754 15.959 1.00 0.00 N0 ATOM 0 H HIS C 27 40.747 11.967 18.688 1.00 0.00 H new ATOM 0 HA HIS C 27 42.826 13.599 17.703 1.00 0.00 H new ATOM 0 HB2 HIS C 27 40.249 13.866 19.060 1.00 0.00 H new ATOM 0 HB3 HIS C 27 41.405 15.003 19.725 1.00 0.00 H new ATOM 0 HD2 HIS C 27 42.730 16.628 17.582 1.00 0.00 H new ATOM 0 HE1 HIS C 27 39.469 16.156 14.942 1.00 0.00 H new ATOM 0 HE2 HIS C 27 41.603 17.507 15.368 1.00 0.00 H new ATOM 1547 N LEU C 28 42.996 12.782 20.882 1.00 0.00 N0 ATOM 1548 CA LEU C 28 43.879 12.782 22.043 1.00 0.00 C0 ATOM 1549 C LEU C 28 45.064 11.844 21.816 1.00 0.00 C0 ATOM 1550 O LEU C 28 46.106 11.977 22.460 1.00 0.00 O0 ATOM 1551 CB LEU C 28 43.104 12.342 23.284 1.00 0.00 C0 ATOM 1552 CG LEU C 28 41.991 13.353 23.574 1.00 0.00 C0 ATOM 1553 CD1 LEU C 28 41.072 12.799 24.663 1.00 0.00 C0 ATOM 1554 CD2 LEU C 28 42.610 14.674 24.046 1.00 0.00 C0 ATOM 0 H LEU C 28 42.143 12.235 20.997 1.00 0.00 H new ATOM 0 HA LEU C 28 44.257 13.793 22.191 1.00 0.00 H new ATOM 0 HB2 LEU C 28 42.678 11.351 23.128 1.00 0.00 H new ATOM 0 HB3 LEU C 28 43.776 12.269 24.139 1.00 0.00 H new ATOM 0 HG LEU C 28 41.413 13.529 22.667 1.00 0.00 H new ATOM 0 HD11 LEU C 28 40.279 13.518 24.870 1.00 0.00 H new ATOM 0 HD12 LEU C 28 40.632 11.861 24.325 1.00 0.00 H new ATOM 0 HD13 LEU C 28 41.649 12.623 25.571 1.00 0.00 H new ATOM 0 HD21 LEU C 28 41.818 15.394 24.252 1.00 0.00 H new ATOM 0 HD22 LEU C 28 43.189 14.501 24.953 1.00 0.00 H new ATOM 0 HD23 LEU C 28 43.264 15.068 23.268 1.00 0.00 H new ATOM 1751 N GLN D 6 10.116 14.459 14.332 1.00 0.00 N0 ATOM 1752 CA GLN D 6 10.702 15.778 14.521 1.00 0.00 C0 ATOM 1753 C GLN D 6 11.917 15.706 15.436 1.00 0.00 C0 ATOM 1754 O GLN D 6 12.902 16.409 15.221 1.00 0.00 O0 ATOM 1755 CB GLN D 6 9.669 16.734 15.115 1.00 0.00 C0 ATOM 1756 CG GLN D 6 8.708 17.186 14.017 1.00 0.00 C0 ATOM 1757 CD GLN D 6 9.349 18.289 13.180 1.00 0.00 C0 ATOM 1758 OE1 GLN D 6 10.059 18.006 12.215 1.00 0.00 O0 ATOM 1759 NE2 GLN D 6 9.136 19.540 13.493 1.00 0.00 N0 ATOM 0 HA GLN D 6 11.020 16.149 13.547 1.00 0.00 H new ATOM 0 HB2 GLN D 6 9.118 16.240 15.916 1.00 0.00 H new ATOM 0 HB3 GLN D 6 10.167 17.597 15.556 1.00 0.00 H new ATOM 0 HG2 GLN D 6 8.448 16.341 13.380 1.00 0.00 H new ATOM 0 HG3 GLN D 6 7.781 17.548 14.461 1.00 0.00 H new ATOM 0 HE21 GLN D 6 8.547 19.772 14.293 1.00 0.00 H new ATOM 0 HE22 GLN D 6 9.558 20.284 12.937 1.00 0.00 H new ATOM 1768 N ILE D 7 11.836 14.862 16.458 1.00 0.00 N0 ATOM 1769 CA ILE D 7 12.939 14.716 17.399 1.00 0.00 C0 ATOM 1770 C ILE D 7 14.165 14.136 16.708 1.00 0.00 C0 ATOM 1771 O ILE D 7 15.263 14.680 16.809 1.00 0.00 O0 ATOM 1772 CB ILE D 7 12.522 13.793 18.537 1.00 0.00 C0 ATOM 1773 CG1 ILE D 7 11.402 14.454 19.341 1.00 0.00 C0 ATOM 1774 CG2 ILE D 7 13.719 13.536 19.456 1.00 0.00 C0 ATOM 1775 CD1 ILE D 7 10.771 13.429 20.287 1.00 0.00 C0 ATOM 0 H ILE D 7 11.026 14.274 16.655 1.00 0.00 H new ATOM 0 HA ILE D 7 13.189 15.702 17.791 1.00 0.00 H new ATOM 0 HB ILE D 7 12.171 12.847 18.125 1.00 0.00 H new ATOM 0 HG12 ILE D 7 11.798 15.294 19.912 1.00 0.00 H new ATOM 0 HG13 ILE D 7 10.645 14.855 18.667 1.00 0.00 H new ATOM 0 HG21 ILE D 7 13.418 12.876 20.269 1.00 0.00 H new ATOM 0 HG22 ILE D 7 14.521 13.068 18.886 1.00 0.00 H new ATOM 0 HG23 ILE D 7 14.071 14.482 19.868 1.00 0.00 H new ATOM 0 HD11 ILE D 7 9.973 13.904 20.858 1.00 0.00 H new ATOM 0 HD12 ILE D 7 10.360 12.603 19.707 1.00 0.00 H new ATOM 0 HD13 ILE D 7 11.530 13.049 20.971 1.00 0.00 H new ATOM 1787 N LEU D 8 13.972 13.026 16.006 1.00 0.00 N0 ATOM 1788 CA LEU D 8 15.077 12.380 15.307 1.00 0.00 C0 ATOM 1789 C LEU D 8 15.606 13.272 14.192 1.00 0.00 C0 ATOM 1790 O LEU D 8 16.807 13.285 13.912 1.00 0.00 O0 ATOM 1791 CB LEU D 8 14.620 11.041 14.718 1.00 0.00 C0 ATOM 1792 CG LEU D 8 15.824 10.292 14.131 1.00 0.00 C0 ATOM 1793 CD1 LEU D 8 16.691 9.734 15.262 1.00 0.00 C0 ATOM 1794 CD2 LEU D 8 15.327 9.138 13.255 1.00 0.00 C0 ATOM 0 H LEU D 8 13.071 12.558 15.906 1.00 0.00 H new ATOM 0 HA LEU D 8 15.877 12.205 16.026 1.00 0.00 H new ATOM 0 HB2 LEU D 8 14.146 10.436 15.491 1.00 0.00 H new ATOM 0 HB3 LEU D 8 13.873 11.211 13.943 1.00 0.00 H new ATOM 0 HG LEU D 8 16.417 10.981 13.530 1.00 0.00 H new ATOM 0 HD11 LEU D 8 17.544 9.203 14.839 1.00 0.00 H new ATOM 0 HD12 LEU D 8 17.047 10.554 15.886 1.00 0.00 H new ATOM 0 HD13 LEU D 8 16.101 9.047 15.868 1.00 0.00 H new ATOM 0 HD21 LEU D 8 16.181 8.605 12.837 1.00 0.00 H new ATOM 0 HD22 LEU D 8 14.732 8.453 13.859 1.00 0.00 H new ATOM 0 HD23 LEU D 8 14.714 9.534 12.445 1.00 0.00 H new ATOM 1806 N SER D 9 14.704 14.016 13.563 1.00 0.00 N0 ATOM 1807 CA SER D 9 15.089 14.908 12.478 1.00 0.00 C0 ATOM 1808 C SER D 9 15.935 16.064 13.000 1.00 0.00 C0 ATOM 1809 O SER D 9 16.992 16.375 12.448 1.00 0.00 O0 ATOM 1810 CB SER D 9 13.842 15.461 11.792 1.00 0.00 C0 ATOM 1811 OG SER D 9 13.128 16.274 12.713 1.00 0.00 O0 ATOM 0 H SER D 9 13.708 14.019 13.784 1.00 0.00 H new ATOM 0 HA SER D 9 15.680 14.338 11.761 1.00 0.00 H new ATOM 0 HB2 SER D 9 14.122 16.044 10.915 1.00 0.00 H new ATOM 0 HB3 SER D 9 13.211 14.644 11.443 1.00 0.00 H new ATOM 0 HG SER D 9 13.300 15.963 13.626 1.00 0.00 H new ATOM 1817 N ILE D 10 15.463 16.690 14.073 1.00 0.00 N0 ATOM 1818 CA ILE D 10 16.178 17.807 14.672 1.00 0.00 C0 ATOM 1819 C ILE D 10 17.534 17.358 15.184 1.00 0.00 C0 ATOM 1820 O ILE D 10 18.517 18.085 15.052 1.00 0.00 O0 ATOM 1821 CB ILE D 10 15.370 18.408 15.825 1.00 0.00 C0 ATOM 1822 CG1 ILE D 10 14.183 19.197 15.255 1.00 0.00 C0 ATOM 1823 CG2 ILE D 10 16.267 19.341 16.655 1.00 0.00 C0 ATOM 1824 CD1 ILE D 10 14.649 20.590 14.811 1.00 0.00 C0 ATOM 0 H ILE D 10 14.592 16.443 14.543 1.00 0.00 H new ATOM 0 HA ILE D 10 16.320 18.567 13.903 1.00 0.00 H new ATOM 0 HB ILE D 10 14.999 17.609 16.467 1.00 0.00 H new ATOM 0 HG12 ILE D 10 13.751 18.661 14.410 1.00 0.00 H new ATOM 0 HG13 ILE D 10 13.400 19.288 16.008 1.00 0.00 H new ATOM 0 HG21 ILE D 10 15.689 19.767 17.475 1.00 0.00 H new ATOM 0 HG22 ILE D 10 17.106 18.775 17.059 1.00 0.00 H new ATOM 0 HG23 ILE D 10 16.643 20.144 16.021 1.00 0.00 H new ATOM 0 HD11 ILE D 10 13.802 21.145 14.407 1.00 0.00 H new ATOM 0 HD12 ILE D 10 15.060 21.126 15.667 1.00 0.00 H new ATOM 0 HD13 ILE D 10 15.416 20.489 14.043 1.00 0.00 H new ATOM 1836 N CYS D 11 17.584 16.160 15.772 1.00 0.00 N0 ATOM 1837 CA CYS D 11 18.833 15.632 16.303 1.00 0.00 C0 ATOM 1838 C CYS D 11 19.868 15.458 15.196 1.00 0.00 C0 ATOM 1839 O CYS D 11 21.013 15.889 15.328 1.00 0.00 O0 ATOM 1840 CB CYS D 11 18.572 14.278 16.968 1.00 0.00 C0 ATOM 1841 SG CYS D 11 17.612 14.523 18.482 1.00 0.00 S0 ATOM 0 H CYS D 11 16.779 15.545 15.890 1.00 0.00 H new ATOM 0 HA CYS D 11 19.223 16.341 17.034 1.00 0.00 H new ATOM 0 HB2 CYS D 11 18.032 13.623 16.284 1.00 0.00 H new ATOM 0 HB3 CYS D 11 19.517 13.787 17.200 1.00 0.00 H new ATOM 0 HG CYS D 11 16.360 14.700 18.178 1.00 0.00 H new ATOM 1847 N SER D 12 19.473 14.813 14.102 1.00 0.00 N0 ATOM 1848 CA SER D 12 20.400 14.593 13.004 1.00 0.00 C0 ATOM 1849 C SER D 12 20.867 15.922 12.427 1.00 0.00 C0 ATOM 1850 O SER D 12 22.039 16.083 12.093 1.00 0.00 O0 ATOM 1851 CB SER D 12 19.715 13.781 11.912 1.00 0.00 C0 ATOM 1852 OG SER D 12 18.618 14.526 11.398 1.00 0.00 O0 ATOM 0 H SER D 12 18.535 14.441 13.956 1.00 0.00 H new ATOM 0 HA SER D 12 21.265 14.048 13.382 1.00 0.00 H new ATOM 0 HB2 SER D 12 20.421 13.553 11.114 1.00 0.00 H new ATOM 0 HB3 SER D 12 19.368 12.829 12.313 1.00 0.00 H new ATOM 0 HG SER D 12 18.169 14.995 12.132 1.00 0.00 H new ATOM 1858 N PHE D 13 19.939 16.865 12.299 1.00 0.00 N0 ATOM 1859 CA PHE D 13 20.264 18.174 11.745 1.00 0.00 C0 ATOM 1860 C PHE D 13 21.377 18.846 12.544 1.00 0.00 C0 ATOM 1861 O PHE D 13 22.384 19.280 11.981 1.00 0.00 O0 ATOM 1862 CB PHE D 13 19.022 19.070 11.772 1.00 0.00 C0 ATOM 1863 CG PHE D 13 18.384 19.103 10.405 1.00 0.00 C0 ATOM 1864 CD1 PHE D 13 17.975 17.912 9.796 1.00 0.00 C0 ATOM 1865 CD2 PHE D 13 18.202 20.326 9.747 1.00 0.00 C0 ATOM 1866 CE1 PHE D 13 17.384 17.942 8.527 1.00 0.00 C0 ATOM 1867 CE2 PHE D 13 17.611 20.357 8.479 1.00 0.00 C0 ATOM 1868 CZ PHE D 13 17.202 19.165 7.869 1.00 0.00 C0 ATOM 0 H PHE D 13 18.962 16.748 12.569 1.00 0.00 H new ATOM 0 HA PHE D 13 20.603 18.032 10.719 1.00 0.00 H new ATOM 0 HB2 PHE D 13 18.309 18.696 12.507 1.00 0.00 H new ATOM 0 HB3 PHE D 13 19.297 20.079 12.079 1.00 0.00 H new ATOM 0 HD1 PHE D 13 18.115 16.970 10.304 1.00 0.00 H new ATOM 0 HD2 PHE D 13 18.518 21.245 10.218 1.00 0.00 H new ATOM 0 HE1 PHE D 13 17.069 17.023 8.056 1.00 0.00 H new ATOM 0 HE2 PHE D 13 17.470 21.300 7.971 1.00 0.00 H new ATOM 0 HZ PHE D 13 16.746 19.189 6.890 1.00 0.00 H new ATOM 1878 N ILE D 14 21.198 18.918 13.859 1.00 0.00 N0 ATOM 1879 CA ILE D 14 22.196 19.538 14.714 1.00 0.00 C0 ATOM 1880 C ILE D 14 23.464 18.692 14.757 1.00 0.00 C0 ATOM 1881 O ILE D 14 24.553 19.206 15.023 1.00 0.00 O0 ATOM 1882 CB ILE D 14 21.634 19.711 16.131 1.00 0.00 C0 ATOM 1883 CG1 ILE D 14 21.304 18.336 16.725 1.00 0.00 C0 ATOM 1884 CG2 ILE D 14 20.355 20.551 16.069 1.00 0.00 C0 ATOM 1885 CD1 ILE D 14 20.963 18.484 18.208 1.00 0.00 C0 ATOM 0 H ILE D 14 20.379 18.558 14.349 1.00 0.00 H new ATOM 0 HA ILE D 14 22.446 20.517 14.305 1.00 0.00 H new ATOM 0 HB ILE D 14 22.375 20.210 16.756 1.00 0.00 H new ATOM 0 HG12 ILE D 14 20.464 17.891 16.192 1.00 0.00 H new ATOM 0 HG13 ILE D 14 22.153 17.663 16.602 1.00 0.00 H new ATOM 0 HG21 ILE D 14 19.953 20.676 17.074 1.00 0.00 H new ATOM 0 HG22 ILE D 14 20.582 21.529 15.645 1.00 0.00 H new ATOM 0 HG23 ILE D 14 19.618 20.047 15.444 1.00 0.00 H new ATOM 0 HD11 ILE D 14 20.729 17.505 18.627 1.00 0.00 H new ATOM 0 HD12 ILE D 14 21.815 18.911 18.737 1.00 0.00 H new ATOM 0 HD13 ILE D 14 20.101 19.142 18.319 1.00 0.00 H new ATOM 1897 N LEU D 15 23.331 17.393 14.495 1.00 0.00 N0 ATOM 1898 CA LEU D 15 24.492 16.516 14.520 1.00 0.00 C0 ATOM 1899 C LEU D 15 25.380 16.777 13.312 1.00 0.00 C0 ATOM 1900 O LEU D 15 26.545 17.140 13.457 1.00 0.00 O0 ATOM 1901 CB LEU D 15 24.021 15.061 14.500 1.00 0.00 C0 ATOM 1902 CG LEU D 15 23.855 14.554 15.931 1.00 0.00 C0 ATOM 1903 CD1 LEU D 15 22.945 13.324 15.939 1.00 0.00 C0 ATOM 1904 CD2 LEU D 15 25.227 14.174 16.488 1.00 0.00 C0 ATOM 0 H LEU D 15 22.449 16.935 14.268 1.00 0.00 H new ATOM 0 HA LEU D 15 25.066 16.711 15.426 1.00 0.00 H new ATOM 0 HB2 LEU D 15 23.075 14.982 13.964 1.00 0.00 H new ATOM 0 HB3 LEU D 15 24.742 14.442 13.966 1.00 0.00 H new ATOM 0 HG LEU D 15 23.409 15.335 16.546 1.00 0.00 H new ATOM 0 HD11 LEU D 15 22.828 12.964 16.961 1.00 0.00 H new ATOM 0 HD12 LEU D 15 21.969 13.591 15.535 1.00 0.00 H new ATOM 0 HD13 LEU D 15 23.389 12.539 15.327 1.00 0.00 H new ATOM 0 HD21 LEU D 15 25.117 13.811 17.510 1.00 0.00 H new ATOM 0 HD22 LEU D 15 25.666 13.391 15.870 1.00 0.00 H new ATOM 0 HD23 LEU D 15 25.877 15.049 16.482 1.00 0.00 H new ATOM 1916 N SER D 16 24.836 16.583 12.113 1.00 0.00 N0 ATOM 1917 CA SER D 16 25.609 16.804 10.905 1.00 0.00 C0 ATOM 1918 C SER D 16 26.174 18.214 10.895 1.00 0.00 C0 ATOM 1919 O SER D 16 27.260 18.451 10.364 1.00 0.00 O0 ATOM 1920 CB SER D 16 24.718 16.592 9.679 1.00 0.00 C0 ATOM 1921 OG SER D 16 23.633 17.508 9.730 1.00 0.00 O0 ATOM 0 H SER D 16 23.875 16.277 11.958 1.00 0.00 H new ATOM 0 HA SER D 16 26.436 16.095 10.877 1.00 0.00 H new ATOM 0 HB2 SER D 16 25.294 16.741 8.765 1.00 0.00 H new ATOM 0 HB3 SER D 16 24.345 15.568 9.657 1.00 0.00 H new ATOM 0 HG SER D 16 23.019 17.248 10.448 1.00 0.00 H new ATOM 1927 N ALA D 17 25.438 19.143 11.499 1.00 0.00 N0 ATOM 1928 CA ALA D 17 25.889 20.526 11.566 1.00 0.00 C0 ATOM 1929 C ALA D 17 27.175 20.634 12.386 1.00 0.00 C0 ATOM 1930 O ALA D 17 28.159 21.242 11.954 1.00 0.00 O0 ATOM 1931 CB ALA D 17 24.796 21.391 12.203 1.00 0.00 C0 ATOM 0 H ALA D 17 24.537 18.965 11.944 1.00 0.00 H new ATOM 0 HA ALA D 17 26.092 20.877 10.554 1.00 0.00 H new ATOM 0 HB1 ALA D 17 25.134 22.426 12.253 1.00 0.00 H new ATOM 0 HB2 ALA D 17 23.890 21.334 11.600 1.00 0.00 H new ATOM 0 HB3 ALA D 17 24.586 21.029 13.209 1.00 0.00 H new ATOM 1937 N LEU D 18 27.168 20.031 13.572 1.00 0.00 N0 ATOM 1938 CA LEU D 18 28.339 20.068 14.441 1.00 0.00 C0 ATOM 1939 C LEU D 18 29.466 19.221 13.863 1.00 0.00 C0 ATOM 1940 O LEU D 18 30.643 19.477 14.126 1.00 0.00 O0 ATOM 1941 CB LEU D 18 27.972 19.559 15.836 1.00 0.00 C0 ATOM 1942 CG LEU D 18 27.053 20.571 16.523 1.00 0.00 C0 ATOM 1943 CD1 LEU D 18 26.439 19.935 17.772 1.00 0.00 C0 ATOM 1944 CD2 LEU D 18 27.862 21.806 16.929 1.00 0.00 C0 ATOM 0 H LEU D 18 26.373 19.516 13.950 1.00 0.00 H new ATOM 0 HA LEU D 18 28.681 21.100 14.512 1.00 0.00 H new ATOM 0 HB2 LEU D 18 27.475 18.592 15.763 1.00 0.00 H new ATOM 0 HB3 LEU D 18 28.874 19.410 16.429 1.00 0.00 H new ATOM 0 HG LEU D 18 26.261 20.865 15.835 1.00 0.00 H new ATOM 0 HD11 LEU D 18 25.784 20.655 18.262 1.00 0.00 H new ATOM 0 HD12 LEU D 18 25.862 19.055 17.486 1.00 0.00 H new ATOM 0 HD13 LEU D 18 27.233 19.641 18.458 1.00 0.00 H new ATOM 0 HD21 LEU D 18 27.206 22.526 17.418 1.00 0.00 H new ATOM 0 HD22 LEU D 18 28.655 21.512 17.617 1.00 0.00 H new ATOM 0 HD23 LEU D 18 28.302 22.261 16.041 1.00 0.00 H new ATOM 1956 N HIS D 19 29.098 18.217 13.073 1.00 0.00 N0 ATOM 1957 CA HIS D 19 30.081 17.336 12.450 1.00 0.00 C0 ATOM 1958 C HIS D 19 30.944 18.098 11.454 1.00 0.00 C0 ATOM 1959 O HIS D 19 32.174 18.023 11.496 1.00 0.00 O0 ATOM 1960 CB HIS D 19 29.365 16.187 11.735 1.00 0.00 C0 ATOM 1961 CG HIS D 19 30.308 15.543 10.756 1.00 0.00 C0 ATOM 1962 ND1 HIS D 19 30.287 15.845 9.404 1.00 0.00 N0 ATOM 1963 CD2 HIS D 19 31.310 14.616 10.918 1.00 0.00 C0 ATOM 1964 CE1 HIS D 19 31.247 15.114 8.809 1.00 0.00 C0 ATOM 1965 NE2 HIS D 19 31.901 14.348 9.686 1.00 0.00 N0 ATOM 0 H HIS D 19 28.128 17.993 12.849 1.00 0.00 H new ATOM 0 HA HIS D 19 30.728 16.938 13.232 1.00 0.00 H new ATOM 0 HB2 HIS D 19 29.019 15.451 12.461 1.00 0.00 H new ATOM 0 HB3 HIS D 19 28.483 16.561 11.215 1.00 0.00 H new ATOM 0 HD2 HIS D 19 31.595 14.165 11.857 1.00 0.00 H new ATOM 0 HE1 HIS D 19 31.463 15.143 7.751 1.00 0.00 H new ATOM 0 HE2 HIS D 19 32.669 13.705 9.494 1.00 0.00 H new ATOM 1973 N PHE D 20 30.297 18.836 10.557 1.00 0.00 N0 ATOM 1974 CA PHE D 20 31.022 19.609 9.560 1.00 0.00 C0 ATOM 1975 C PHE D 20 31.728 20.780 10.224 1.00 0.00 C0 ATOM 1976 O PHE D 20 32.752 21.244 9.739 1.00 0.00 O0 ATOM 1977 CB PHE D 20 30.067 20.111 8.475 1.00 0.00 C0 ATOM 1978 CG PHE D 20 30.196 19.237 7.242 1.00 0.00 C0 ATOM 1979 CD1 PHE D 20 29.144 18.397 6.861 1.00 0.00 C0 ATOM 1980 CD2 PHE D 20 31.372 19.270 6.484 1.00 0.00 C0 ATOM 1981 CE1 PHE D 20 29.265 17.587 5.718 1.00 0.00 C0 ATOM 1982 CE2 PHE D 20 31.499 18.464 5.342 1.00 0.00 C0 ATOM 1983 CZ PHE D 20 30.446 17.620 4.955 1.00 0.00 C0 ATOM 0 H PHE D 20 29.281 18.914 10.501 1.00 0.00 H new ATOM 0 HA PHE D 20 31.768 18.966 9.092 1.00 0.00 H new ATOM 0 HB2 PHE D 20 29.041 20.091 8.842 1.00 0.00 H new ATOM 0 HB3 PHE D 20 30.296 21.147 8.225 1.00 0.00 H new ATOM 0 HD1 PHE D 20 28.237 18.371 7.446 1.00 0.00 H new ATOM 0 HD2 PHE D 20 32.184 19.918 6.779 1.00 0.00 H new ATOM 0 HE1 PHE D 20 28.451 16.940 5.426 1.00 0.00 H new ATOM 0 HE2 PHE D 20 32.408 18.493 4.760 1.00 0.00 H new ATOM 0 HZ PHE D 20 30.542 17.000 4.076 1.00 0.00 H new ATOM 1993 N MET D 21 31.179 21.251 11.341 1.00 0.00 N0 ATOM 1994 CA MET D 21 31.788 22.363 12.058 1.00 0.00 C0 ATOM 1995 C MET D 21 33.191 21.991 12.538 1.00 0.00 C0 ATOM 1996 O MET D 21 34.180 22.667 12.221 1.00 0.00 O0 ATOM 1997 CB MET D 21 30.917 22.731 13.262 1.00 0.00 C0 ATOM 1998 CG MET D 21 29.899 23.798 12.847 1.00 0.00 C0 ATOM 1999 SD MET D 21 28.917 24.291 14.286 1.00 0.00 S0 ATOM 2000 CE MET D 21 28.288 25.849 13.609 1.00 0.00 C0 ATOM 0 H MET D 21 30.326 20.885 11.763 1.00 0.00 H new ATOM 0 HA MET D 21 31.865 23.215 11.382 1.00 0.00 H new ATOM 0 HB2 MET D 21 30.401 21.846 13.635 1.00 0.00 H new ATOM 0 HB3 MET D 21 31.540 23.104 14.075 1.00 0.00 H new ATOM 0 HG2 MET D 21 30.414 24.664 12.431 1.00 0.00 H new ATOM 0 HG3 MET D 21 29.247 23.409 12.065 1.00 0.00 H new ATOM 0 HE1 MET D 21 27.645 26.332 14.345 1.00 0.00 H new ATOM 0 HE2 MET D 21 29.124 26.506 13.371 1.00 0.00 H new ATOM 0 HE3 MET D 21 27.716 25.647 12.704 1.00 0.00 H new ATOM 2010 N ALA D 22 33.277 20.904 13.300 1.00 0.00 N0 ATOM 2011 CA ALA D 22 34.563 20.449 13.812 1.00 0.00 C0 ATOM 2012 C ALA D 22 35.481 20.077 12.656 1.00 0.00 C0 ATOM 2013 O ALA D 22 36.677 20.362 12.684 1.00 0.00 O0 ATOM 2014 CB ALA D 22 34.370 19.243 14.731 1.00 0.00 C0 ATOM 0 H ALA D 22 32.480 20.329 13.573 1.00 0.00 H new ATOM 0 HA ALA D 22 35.018 21.258 14.384 1.00 0.00 H new ATOM 0 HB1 ALA D 22 35.339 18.913 15.107 1.00 0.00 H new ATOM 0 HB2 ALA D 22 33.732 19.523 15.569 1.00 0.00 H new ATOM 0 HB3 ALA D 22 33.902 18.432 14.173 1.00 0.00 H new ATOM 2020 N TRP D 23 34.912 19.444 11.633 1.00 0.00 N0 ATOM 2021 CA TRP D 23 35.694 19.048 10.470 1.00 0.00 C0 ATOM 2022 C TRP D 23 36.330 20.271 9.819 1.00 0.00 C0 ATOM 2023 O TRP D 23 37.514 20.257 9.482 1.00 0.00 O0 ATOM 2024 CB TRP D 23 34.799 18.329 9.459 1.00 0.00 C0 ATOM 2025 CG TRP D 23 35.177 16.885 9.400 1.00 0.00 C0 ATOM 2026 CD1 TRP D 23 34.977 15.983 10.389 1.00 0.00 C0 ATOM 2027 CD2 TRP D 23 35.816 16.161 8.309 1.00 0.00 C0 ATOM 2028 NE1 TRP D 23 35.456 14.753 9.973 1.00 0.00 N0 ATOM 2029 CE2 TRP D 23 35.982 14.812 8.698 1.00 0.00 C0 ATOM 2030 CE3 TRP D 23 36.263 16.541 7.029 1.00 0.00 C0 ATOM 2031 CZ2 TRP D 23 36.570 13.874 7.851 1.00 0.00 C0 ATOM 2032 CZ3 TRP D 23 36.855 15.598 6.173 1.00 0.00 C0 ATOM 2033 CH2 TRP D 23 37.009 14.267 6.584 1.00 0.00 C0 ATOM 0 H TRP D 23 33.923 19.197 11.587 1.00 0.00 H new ATOM 0 HA TRP D 23 36.484 18.371 10.794 1.00 0.00 H new ATOM 0 HB2 TRP D 23 33.752 18.431 9.746 1.00 0.00 H new ATOM 0 HB3 TRP D 23 34.905 18.784 8.474 1.00 0.00 H new ATOM 0 HD1 TRP D 23 34.519 16.189 11.345 1.00 0.00 H new ATOM 0 HE1 TRP D 23 35.424 13.906 10.540 1.00 0.00 H new ATOM 0 HE3 TRP D 23 36.150 17.564 6.703 1.00 0.00 H new ATOM 0 HZ2 TRP D 23 36.686 12.849 8.172 1.00 0.00 H new ATOM 0 HZ3 TRP D 23 37.193 15.900 5.193 1.00 0.00 H new ATOM 0 HH2 TRP D 23 37.466 13.546 5.922 1.00 0.00 H new ATOM 2044 N THR D 24 35.538 21.321 9.639 1.00 0.00 N0 ATOM 2045 CA THR D 24 36.033 22.542 9.023 1.00 0.00 C0 ATOM 2046 C THR D 24 37.238 23.058 9.795 1.00 0.00 C0 ATOM 2047 O THR D 24 38.253 23.435 9.208 1.00 0.00 O0 ATOM 2048 CB THR D 24 34.929 23.606 9.018 1.00 0.00 C0 ATOM 2049 OG1 THR D 24 33.846 23.160 8.213 1.00 0.00 O0 ATOM 2050 CG2 THR D 24 35.478 24.919 8.461 1.00 0.00 C0 ATOM 0 H THR D 24 34.555 21.350 9.910 1.00 0.00 H new ATOM 0 HA THR D 24 36.330 22.328 7.996 1.00 0.00 H new ATOM 0 HB THR D 24 34.580 23.769 10.038 1.00 0.00 H new ATOM 0 HG1 THR D 24 33.365 22.444 8.679 1.00 0.00 H new ATOM 0 HG21 THR D 24 34.690 25.672 8.460 1.00 0.00 H new ATOM 0 HG22 THR D 24 36.305 25.261 9.084 1.00 0.00 H new ATOM 0 HG23 THR D 24 35.832 24.762 7.442 1.00 0.00 H new ATOM 2058 N ILE D 25 37.126 23.065 11.115 1.00 0.00 N0 ATOM 2059 CA ILE D 25 38.227 23.527 11.956 1.00 0.00 C0 ATOM 2060 C ILE D 25 39.434 22.597 11.799 1.00 0.00 C0 ATOM 2061 O ILE D 25 40.582 23.042 11.768 1.00 0.00 O0 ATOM 2062 CB ILE D 25 37.786 23.563 13.422 1.00 0.00 C0 ATOM 2063 CG1 ILE D 25 36.635 24.562 13.575 1.00 0.00 C0 ATOM 2064 CG2 ILE D 25 38.959 24.010 14.299 1.00 0.00 C0 ATOM 2065 CD1 ILE D 25 36.001 24.399 14.956 1.00 0.00 C0 ATOM 0 H ILE D 25 36.296 22.761 11.625 1.00 0.00 H new ATOM 0 HA ILE D 25 38.511 24.532 11.644 1.00 0.00 H new ATOM 0 HB ILE D 25 37.459 22.569 13.729 1.00 0.00 H new ATOM 0 HG12 ILE D 25 37.004 25.580 13.450 1.00 0.00 H new ATOM 0 HG13 ILE D 25 35.889 24.395 12.798 1.00 0.00 H new ATOM 0 HG21 ILE D 25 38.644 24.035 15.342 1.00 0.00 H new ATOM 0 HG22 ILE D 25 39.786 23.308 14.186 1.00 0.00 H new ATOM 0 HG23 ILE D 25 39.283 25.005 13.994 1.00 0.00 H new ATOM 0 HD11 ILE D 25 35.182 25.109 15.066 1.00 0.00 H new ATOM 0 HD12 ILE D 25 35.618 23.384 15.063 1.00 0.00 H new ATOM 0 HD13 ILE D 25 36.750 24.587 15.725 1.00 0.00 H new ATOM 2077 N GLY D 26 39.153 21.303 11.702 1.00 0.00 N0 ATOM 2078 CA GLY D 26 40.213 20.311 11.545 1.00 0.00 C0 ATOM 2079 C GLY D 26 41.005 20.554 10.262 1.00 0.00 C0 ATOM 2080 O GLY D 26 42.238 20.557 10.270 1.00 0.00 O0 ATOM 0 H GLY D 26 38.209 20.917 11.729 1.00 0.00 H new ATOM 0 HA2 GLY D 26 40.883 20.351 12.403 1.00 0.00 H new ATOM 0 HA3 GLY D 26 39.780 19.311 11.525 1.00 0.00 H new ATOM 2084 N HIS D 27 40.288 20.760 9.162 1.00 0.00 N0 ATOM 2085 CA HIS D 27 40.928 21.008 7.873 1.00 0.00 C0 ATOM 2086 C HIS D 27 41.747 22.292 7.921 1.00 0.00 C0 ATOM 2087 O HIS D 27 42.837 22.364 7.355 1.00 0.00 O0 ATOM 2088 CB HIS D 27 39.869 21.112 6.774 1.00 0.00 C0 ATOM 2089 CG HIS D 27 39.983 19.930 5.851 1.00 0.00 C0 ATOM 2090 ND1 HIS D 27 39.064 18.894 5.856 1.00 0.00 N0 ATOM 2091 CD2 HIS D 27 40.905 19.609 4.886 1.00 0.00 C0 ATOM 2092 CE1 HIS D 27 39.450 18.005 4.919 1.00 0.00 C0 ATOM 2093 NE2 HIS D 27 40.566 18.394 4.299 1.00 0.00 N0 ATOM 0 H HIS D 27 39.268 20.760 9.136 1.00 0.00 H new ATOM 0 HA HIS D 27 41.595 20.175 7.653 1.00 0.00 H new ATOM 0 HB2 HIS D 27 38.873 21.146 7.216 1.00 0.00 H new ATOM 0 HB3 HIS D 27 40.001 22.038 6.214 1.00 0.00 H new ATOM 0 HD2 HIS D 27 41.764 20.209 4.622 1.00 0.00 H new ATOM 0 HE1 HIS D 27 38.921 17.090 4.697 1.00 0.00 H new ATOM 0 HE2 HIS D 27 41.064 17.905 3.555 1.00 0.00 H new ATOM 2101 N LEU D 28 41.216 23.299 8.603 1.00 0.00 N0 ATOM 2102 CA LEU D 28 41.911 24.576 8.726 1.00 0.00 C0 ATOM 2103 C LEU D 28 43.038 24.478 9.751 1.00 0.00 C0 ATOM 2104 O LEU D 28 43.978 25.273 9.734 1.00 0.00 O0 ATOM 2105 CB LEU D 28 40.923 25.664 9.148 1.00 0.00 C0 ATOM 2106 CG LEU D 28 39.862 25.838 8.058 1.00 0.00 C0 ATOM 2107 CD1 LEU D 28 38.748 26.748 8.575 1.00 0.00 C0 ATOM 2108 CD2 LEU D 28 40.504 26.469 6.815 1.00 0.00 C0 ATOM 0 H LEU D 28 40.313 23.258 9.076 1.00 0.00 H new ATOM 0 HA LEU D 28 42.342 24.832 7.758 1.00 0.00 H new ATOM 0 HB2 LEU D 28 40.450 25.394 10.092 1.00 0.00 H new ATOM 0 HB3 LEU D 28 41.449 26.604 9.312 1.00 0.00 H new ATOM 0 HG LEU D 28 39.445 24.865 7.796 1.00 0.00 H new ATOM 0 HD11 LEU D 28 37.992 26.873 7.800 1.00 0.00 H new ATOM 0 HD12 LEU D 28 38.292 26.300 9.458 1.00 0.00 H new ATOM 0 HD13 LEU D 28 39.165 27.721 8.836 1.00 0.00 H new ATOM 0 HD21 LEU D 28 39.749 26.593 6.039 1.00 0.00 H new ATOM 0 HD22 LEU D 28 40.920 27.442 7.075 1.00 0.00 H new ATOM 0 HD23 LEU D 28 41.299 25.821 6.447 1.00 0.00 H new