USER MOD reduce.3.24.130724 H: found=0, std=0, add=391, rem=0, adj=9 USER MOD reduce.3.24.130724 removed 389 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 1 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Single : A 1 MET N :NH3+ -164:sc= -0.169 (180deg=-0.699) USER MOD Single : A 5 HIS : no HD1:sc= 0 X(o=0,f=-0.03) USER MOD Single : A 6 GLN : amide:sc= 0 K(o=0,f=-1.2!) USER MOD Single : A 13 SER OG : rot 180:sc= 0 USER MOD Single : A 15 THR OG1 : rot 180:sc= 0 USER MOD Single : A 16 SER OG : rot 180:sc= 0 USER MOD Single : A 24 SER OG : rot 67:sc= 0.907 USER MOD Single : A 29 GLN : amide:sc= 0 K(o=0,f=-1.8!) USER MOD Single : A 32 TYR OH : rot 180:sc= 0 USER MOD Single : A 34 SER OG : rot 82:sc= 0.827 USER MOD Single : A 38 SER OG : rot -7:sc= 0.394 USER MOD Single : A 40 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 42 HIS : no HD1:sc= 0 X(o=0,f=-0.0057) USER MOD Single : A 44 SER OG : rot -7:sc= 1.02 USER MOD Single : A 48 ASN : amide:sc= -0.0182 K(o=-0.018,f=-1.3) USER MOD ----------------------------------------------------------------- ATOM 1 N MET A 1 48.770 -19.687 0.703 1.00 1.00 N ATOM 2 CA MET A 1 47.595 -20.527 0.334 1.00 1.00 C ATOM 3 C MET A 1 46.443 -20.234 1.289 1.00 1.00 C ATOM 4 O MET A 1 45.288 -20.545 0.998 1.00 1.00 O ATOM 5 CB MET A 1 47.983 -22.004 0.423 1.00 1.00 C ATOM 6 CG MET A 1 49.001 -22.333 -0.671 1.00 1.00 C ATOM 7 SD MET A 1 49.458 -24.082 -0.566 1.00 1.00 S ATOM 8 CE MET A 1 50.833 -24.025 -1.742 1.00 1.00 C ATOM 0 H1 MET A 1 49.449 -19.675 -0.084 1.00 1.00 H new ATOM 0 H2 MET A 1 48.454 -18.716 0.902 1.00 1.00 H new ATOM 0 H3 MET A 1 49.228 -20.083 1.549 1.00 1.00 H new ATOM 0 HA MET A 1 47.282 -20.298 -0.685 1.00 1.00 H new ATOM 0 HB2 MET A 1 48.405 -22.221 1.404 1.00 1.00 H new ATOM 0 HB3 MET A 1 47.098 -22.630 0.311 1.00 1.00 H new ATOM 0 HG2 MET A 1 48.579 -22.115 -1.652 1.00 1.00 H new ATOM 0 HG3 MET A 1 49.887 -21.708 -0.558 1.00 1.00 H new ATOM 0 HE1 MET A 1 51.273 -25.018 -1.835 1.00 1.00 H new ATOM 0 HE2 MET A 1 50.466 -23.698 -2.715 1.00 1.00 H new ATOM 0 HE3 MET A 1 51.588 -23.325 -1.385 1.00 1.00 H new ATOM 20 N ALA A 2 46.765 -19.633 2.430 1.00 1.00 N ATOM 21 CA ALA A 2 45.748 -19.301 3.422 1.00 1.00 C ATOM 22 C ALA A 2 46.155 -18.059 4.208 1.00 1.00 C ATOM 23 O ALA A 2 47.342 -17.781 4.376 1.00 1.00 O ATOM 24 CB ALA A 2 45.550 -20.475 4.384 1.00 1.00 C ATOM 0 H ALA A 2 47.715 -19.367 2.690 1.00 1.00 H new ATOM 0 HA ALA A 2 44.812 -19.099 2.902 1.00 1.00 H new ATOM 0 HB1 ALA A 2 44.789 -20.217 5.121 1.00 1.00 H new ATOM 0 HB2 ALA A 2 45.230 -21.354 3.824 1.00 1.00 H new ATOM 0 HB3 ALA A 2 46.489 -20.691 4.893 1.00 1.00 H new ATOM 30 N GLU A 3 45.162 -17.314 4.685 1.00 1.00 N ATOM 31 CA GLU A 3 45.432 -16.102 5.449 1.00 1.00 C ATOM 32 C GLU A 3 46.110 -16.441 6.773 1.00 1.00 C ATOM 33 O GLU A 3 47.026 -15.742 7.208 1.00 1.00 O ATOM 34 CB GLU A 3 44.126 -15.353 5.720 1.00 1.00 C ATOM 35 CG GLU A 3 43.568 -14.807 4.405 1.00 1.00 C ATOM 36 CD GLU A 3 42.222 -14.135 4.650 1.00 1.00 C ATOM 37 OE1 GLU A 3 41.798 -14.103 5.793 1.00 1.00 O ATOM 38 OE2 GLU A 3 41.636 -13.662 3.690 1.00 1.00 O ATOM 0 H GLU A 3 44.172 -17.526 4.557 1.00 1.00 H new ATOM 0 HA GLU A 3 46.099 -15.469 4.864 1.00 1.00 H new ATOM 0 HB2 GLU A 3 43.401 -16.021 6.185 1.00 1.00 H new ATOM 0 HB3 GLU A 3 44.302 -14.536 6.420 1.00 1.00 H new ATOM 0 HG2 GLU A 3 44.268 -14.092 3.972 1.00 1.00 H new ATOM 0 HG3 GLU A 3 43.454 -15.617 3.684 1.00 1.00 H new ATOM 45 N ALA A 4 45.655 -17.517 7.409 1.00 1.00 N ATOM 46 CA ALA A 4 46.229 -17.937 8.681 1.00 1.00 C ATOM 47 C ALA A 4 47.655 -18.444 8.483 1.00 1.00 C ATOM 48 O ALA A 4 47.954 -19.109 7.491 1.00 1.00 O ATOM 49 CB ALA A 4 45.371 -19.042 9.302 1.00 1.00 C ATOM 0 H ALA A 4 44.897 -18.108 7.067 1.00 1.00 H new ATOM 0 HA ALA A 4 46.252 -17.077 9.351 1.00 1.00 H new ATOM 0 HB1 ALA A 4 45.807 -19.350 10.252 1.00 1.00 H new ATOM 0 HB2 ALA A 4 44.361 -18.667 9.470 1.00 1.00 H new ATOM 0 HB3 ALA A 4 45.333 -19.896 8.626 1.00 1.00 H new ATOM 55 N HIS A 5 48.529 -18.127 9.433 1.00 1.00 N ATOM 56 CA HIS A 5 49.920 -18.555 9.347 1.00 1.00 C ATOM 57 C HIS A 5 50.017 -20.073 9.458 1.00 1.00 C ATOM 58 O HIS A 5 50.791 -20.709 8.743 1.00 1.00 O ATOM 59 CB HIS A 5 50.735 -17.908 10.469 1.00 1.00 C ATOM 60 CG HIS A 5 51.340 -16.623 9.974 1.00 1.00 C ATOM 61 ND1 HIS A 5 52.425 -16.600 9.110 1.00 1.00 N ATOM 62 CD2 HIS A 5 51.024 -15.308 10.212 1.00 1.00 C ATOM 63 CE1 HIS A 5 52.720 -15.311 8.863 1.00 1.00 C ATOM 64 NE2 HIS A 5 51.897 -14.482 9.510 1.00 1.00 N ATOM 0 H HIS A 5 48.302 -17.580 10.264 1.00 1.00 H new ATOM 0 HA HIS A 5 50.319 -18.244 8.382 1.00 1.00 H new ATOM 0 HB2 HIS A 5 50.097 -17.713 11.331 1.00 1.00 H new ATOM 0 HB3 HIS A 5 51.520 -18.588 10.801 1.00 1.00 H new ATOM 0 HD2 HIS A 5 50.220 -14.967 10.847 1.00 1.00 H new ATOM 0 HE1 HIS A 5 53.524 -14.986 8.220 1.00 1.00 H new ATOM 0 HE2 HIS A 5 51.906 -13.462 9.493 1.00 1.00 H new ATOM 72 N GLN A 6 49.222 -20.646 10.357 1.00 1.00 N ATOM 73 CA GLN A 6 49.221 -22.091 10.554 1.00 1.00 C ATOM 74 C GLN A 6 47.802 -22.597 10.792 1.00 1.00 C ATOM 75 O GLN A 6 46.932 -21.847 11.232 1.00 1.00 O ATOM 76 CB GLN A 6 50.100 -22.461 11.752 1.00 1.00 C ATOM 77 CG GLN A 6 51.567 -22.168 11.428 1.00 1.00 C ATOM 78 CD GLN A 6 52.439 -22.476 12.641 1.00 1.00 C ATOM 79 OE1 GLN A 6 51.943 -22.973 13.652 1.00 1.00 O ATOM 80 NE2 GLN A 6 53.716 -22.209 12.599 1.00 1.00 N ATOM 0 H GLN A 6 48.574 -20.135 10.957 1.00 1.00 H new ATOM 0 HA GLN A 6 49.620 -22.559 9.654 1.00 1.00 H new ATOM 0 HB2 GLN A 6 49.792 -21.894 12.630 1.00 1.00 H new ATOM 0 HB3 GLN A 6 49.975 -23.516 11.994 1.00 1.00 H new ATOM 0 HG2 GLN A 6 51.887 -22.769 10.577 1.00 1.00 H new ATOM 0 HG3 GLN A 6 51.683 -21.123 11.142 1.00 1.00 H new ATOM 0 HE21 GLN A 6 54.124 -21.797 11.760 1.00 1.00 H new ATOM 0 HE22 GLN A 6 54.306 -22.412 13.406 1.00 1.00 H new ATOM 89 N ALA A 7 47.577 -23.875 10.501 1.00 1.00 N ATOM 90 CA ALA A 7 46.259 -24.469 10.693 1.00 1.00 C ATOM 91 C ALA A 7 45.882 -24.459 12.170 1.00 1.00 C ATOM 92 O ALA A 7 44.726 -24.226 12.523 1.00 1.00 O ATOM 93 CB ALA A 7 46.253 -25.907 10.172 1.00 1.00 C ATOM 0 H ALA A 7 48.283 -24.514 10.135 1.00 1.00 H new ATOM 0 HA ALA A 7 45.529 -23.880 10.137 1.00 1.00 H new ATOM 0 HB1 ALA A 7 45.265 -26.343 10.319 1.00 1.00 H new ATOM 0 HB2 ALA A 7 46.496 -25.910 9.110 1.00 1.00 H new ATOM 0 HB3 ALA A 7 46.993 -26.494 10.715 1.00 1.00 H new ATOM 99 N VAL A 8 46.868 -24.709 13.027 1.00 1.00 N ATOM 100 CA VAL A 8 46.639 -24.723 14.469 1.00 1.00 C ATOM 101 C VAL A 8 47.672 -23.853 15.176 1.00 1.00 C ATOM 102 O VAL A 8 48.862 -23.911 14.865 1.00 1.00 O ATOM 103 CB VAL A 8 46.726 -26.155 14.998 1.00 1.00 C ATOM 104 CG1 VAL A 8 47.998 -26.820 14.468 1.00 1.00 C ATOM 105 CG2 VAL A 8 46.765 -26.131 16.527 1.00 1.00 C ATOM 0 H VAL A 8 47.830 -24.904 12.750 1.00 1.00 H new ATOM 0 HA VAL A 8 45.644 -24.325 14.668 1.00 1.00 H new ATOM 0 HB VAL A 8 45.855 -26.719 14.664 1.00 1.00 H new ATOM 0 HG11 VAL A 8 48.059 -27.841 14.846 1.00 1.00 H new ATOM 0 HG12 VAL A 8 47.973 -26.837 13.378 1.00 1.00 H new ATOM 0 HG13 VAL A 8 48.869 -26.257 14.802 1.00 1.00 H new ATOM 0 HG21 VAL A 8 46.827 -27.151 16.905 1.00 1.00 H new ATOM 0 HG22 VAL A 8 47.636 -25.567 16.860 1.00 1.00 H new ATOM 0 HG23 VAL A 8 45.860 -25.658 16.907 1.00 1.00 H new ATOM 115 N GLY A 9 47.212 -23.046 16.127 1.00 1.00 N ATOM 116 CA GLY A 9 48.110 -22.167 16.865 1.00 1.00 C ATOM 117 C GLY A 9 48.775 -22.906 18.021 1.00 1.00 C ATOM 118 O GLY A 9 48.393 -24.028 18.357 1.00 1.00 O ATOM 0 H GLY A 9 46.232 -22.983 16.402 1.00 1.00 H new ATOM 0 HA2 GLY A 9 48.873 -21.775 16.193 1.00 1.00 H new ATOM 0 HA3 GLY A 9 47.553 -21.312 17.248 1.00 1.00 H new ATOM 122 N PHE A 10 49.770 -22.267 18.627 1.00 1.00 N ATOM 123 CA PHE A 10 50.485 -22.865 19.750 1.00 1.00 C ATOM 124 C PHE A 10 49.542 -23.097 20.926 1.00 1.00 C ATOM 125 O PHE A 10 49.587 -24.142 21.576 1.00 1.00 O ATOM 126 CB PHE A 10 51.632 -21.952 20.184 1.00 1.00 C ATOM 127 CG PHE A 10 52.689 -21.925 19.106 1.00 1.00 C ATOM 128 CD1 PHE A 10 53.684 -22.910 19.077 1.00 1.00 C ATOM 129 CD2 PHE A 10 52.674 -20.916 18.135 1.00 1.00 C ATOM 130 CE1 PHE A 10 54.664 -22.885 18.076 1.00 1.00 C ATOM 131 CE2 PHE A 10 53.654 -20.891 17.136 1.00 1.00 C ATOM 132 CZ PHE A 10 54.648 -21.875 17.106 1.00 1.00 C ATOM 0 H PHE A 10 50.099 -21.339 18.361 1.00 1.00 H new ATOM 0 HA PHE A 10 50.887 -23.826 19.429 1.00 1.00 H new ATOM 0 HB2 PHE A 10 51.259 -20.944 20.368 1.00 1.00 H new ATOM 0 HB3 PHE A 10 52.061 -22.309 21.120 1.00 1.00 H new ATOM 0 HD1 PHE A 10 53.696 -23.688 19.826 1.00 1.00 H new ATOM 0 HD2 PHE A 10 51.906 -20.157 18.157 1.00 1.00 H new ATOM 0 HE1 PHE A 10 55.432 -23.644 18.052 1.00 1.00 H new ATOM 0 HE2 PHE A 10 53.643 -20.112 16.388 1.00 1.00 H new ATOM 0 HZ PHE A 10 55.403 -21.856 16.334 1.00 1.00 H new ATOM 142 N ARG A 11 48.693 -22.110 21.197 1.00 1.00 N ATOM 143 CA ARG A 11 47.745 -22.213 22.300 1.00 1.00 C ATOM 144 C ARG A 11 46.608 -21.198 22.152 1.00 1.00 C ATOM 145 O ARG A 11 45.440 -21.548 22.324 1.00 1.00 O ATOM 146 CB ARG A 11 48.462 -21.993 23.633 1.00 1.00 C ATOM 147 CG ARG A 11 48.267 -23.220 24.527 1.00 1.00 C ATOM 148 CD ARG A 11 48.878 -22.950 25.904 1.00 1.00 C ATOM 149 NE ARG A 11 49.590 -24.132 26.380 1.00 1.00 N ATOM 150 CZ ARG A 11 50.528 -24.038 27.317 1.00 1.00 C ATOM 151 NH1 ARG A 11 50.826 -22.874 27.827 1.00 1.00 N ATOM 152 NH2 ARG A 11 51.150 -25.109 27.726 1.00 1.00 N ATOM 0 H ARG A 11 48.642 -21.237 20.672 1.00 1.00 H new ATOM 0 HA ARG A 11 47.315 -23.214 22.279 1.00 1.00 H new ATOM 0 HB2 ARG A 11 49.524 -21.820 23.462 1.00 1.00 H new ATOM 0 HB3 ARG A 11 48.069 -21.104 24.127 1.00 1.00 H new ATOM 0 HG2 ARG A 11 47.205 -23.446 24.626 1.00 1.00 H new ATOM 0 HG3 ARG A 11 48.737 -24.092 24.073 1.00 1.00 H new ATOM 0 HD2 ARG A 11 49.562 -22.103 25.847 1.00 1.00 H new ATOM 0 HD3 ARG A 11 48.094 -22.679 26.611 1.00 1.00 H new ATOM 0 HE ARG A 11 49.364 -25.046 25.987 1.00 1.00 H new ATOM 0 HH11 ARG A 11 50.339 -22.037 27.506 1.00 1.00 H new ATOM 0 HH12 ARG A 11 51.546 -22.801 28.546 1.00 1.00 H new ATOM 0 HH21 ARG A 11 50.917 -26.018 27.327 1.00 1.00 H new ATOM 0 HH22 ARG A 11 51.870 -25.037 28.445 1.00 1.00 H new ATOM 166 N PRO A 12 46.913 -19.958 21.846 1.00 1.00 N ATOM 167 CA PRO A 12 45.873 -18.897 21.685 1.00 1.00 C ATOM 168 C PRO A 12 44.909 -19.209 20.544 1.00 1.00 C ATOM 169 O PRO A 12 45.293 -19.809 19.540 1.00 1.00 O ATOM 170 CB PRO A 12 46.673 -17.619 21.399 1.00 1.00 C ATOM 171 CG PRO A 12 48.078 -17.921 21.806 1.00 1.00 C ATOM 172 CD PRO A 12 48.264 -19.421 21.615 1.00 1.00 C ATOM 0 HA PRO A 12 45.245 -18.809 22.572 1.00 1.00 H new ATOM 0 HB2 PRO A 12 46.620 -17.352 20.343 1.00 1.00 H new ATOM 0 HB3 PRO A 12 46.276 -16.774 21.962 1.00 1.00 H new ATOM 0 HG2 PRO A 12 48.788 -17.360 21.198 1.00 1.00 H new ATOM 0 HG3 PRO A 12 48.252 -17.636 22.844 1.00 1.00 H new ATOM 0 HD2 PRO A 12 48.626 -19.658 20.615 1.00 1.00 H new ATOM 0 HD3 PRO A 12 48.987 -19.831 22.321 1.00 1.00 H new ATOM 180 N SER A 13 43.654 -18.805 20.710 1.00 1.00 N ATOM 181 CA SER A 13 42.640 -19.054 19.692 1.00 1.00 C ATOM 182 C SER A 13 42.964 -18.289 18.413 1.00 1.00 C ATOM 183 O SER A 13 43.531 -17.197 18.455 1.00 1.00 O ATOM 184 CB SER A 13 41.266 -18.628 20.209 1.00 1.00 C ATOM 185 OG SER A 13 40.925 -19.417 21.341 1.00 1.00 O ATOM 0 H SER A 13 43.316 -18.307 21.534 1.00 1.00 H new ATOM 0 HA SER A 13 42.630 -20.121 19.470 1.00 1.00 H new ATOM 0 HB2 SER A 13 41.277 -17.572 20.478 1.00 1.00 H new ATOM 0 HB3 SER A 13 40.517 -18.750 19.427 1.00 1.00 H new ATOM 0 HG SER A 13 40.045 -19.145 21.676 1.00 1.00 H new ATOM 191 N LEU A 14 42.601 -18.874 17.276 1.00 1.00 N ATOM 192 CA LEU A 14 42.859 -18.246 15.985 1.00 1.00 C ATOM 193 C LEU A 14 42.108 -16.924 15.868 1.00 1.00 C ATOM 194 O LEU A 14 42.649 -15.937 15.369 1.00 1.00 O ATOM 195 CB LEU A 14 42.423 -19.182 14.855 1.00 1.00 C ATOM 196 CG LEU A 14 43.357 -20.397 14.799 1.00 1.00 C ATOM 197 CD1 LEU A 14 42.792 -21.429 13.823 1.00 1.00 C ATOM 198 CD2 LEU A 14 44.760 -19.973 14.337 1.00 1.00 C ATOM 0 H LEU A 14 42.130 -19.777 17.222 1.00 1.00 H new ATOM 0 HA LEU A 14 43.928 -18.050 15.906 1.00 1.00 H new ATOM 0 HB2 LEU A 14 41.396 -19.508 15.017 1.00 1.00 H new ATOM 0 HB3 LEU A 14 42.443 -18.652 13.903 1.00 1.00 H new ATOM 0 HG LEU A 14 43.430 -20.831 15.796 1.00 1.00 H new ATOM 0 HD11 LEU A 14 43.455 -22.293 13.783 1.00 1.00 H new ATOM 0 HD12 LEU A 14 41.804 -21.745 14.159 1.00 1.00 H new ATOM 0 HD13 LEU A 14 42.713 -20.986 12.830 1.00 1.00 H new ATOM 0 HD21 LEU A 14 45.411 -20.846 14.302 1.00 1.00 H new ATOM 0 HD22 LEU A 14 44.697 -19.528 13.344 1.00 1.00 H new ATOM 0 HD23 LEU A 14 45.168 -19.244 15.036 1.00 1.00 H new ATOM 210 N THR A 15 40.861 -16.913 16.329 1.00 1.00 N ATOM 211 CA THR A 15 40.043 -15.706 16.269 1.00 1.00 C ATOM 212 C THR A 15 39.370 -15.443 17.612 1.00 1.00 C ATOM 213 O THR A 15 39.214 -16.350 18.428 1.00 1.00 O ATOM 214 CB THR A 15 38.974 -15.854 15.184 1.00 1.00 C ATOM 215 OG1 THR A 15 38.078 -16.897 15.543 1.00 1.00 O ATOM 216 CG2 THR A 15 39.642 -16.187 13.850 1.00 1.00 C ATOM 0 H THR A 15 40.397 -17.720 16.746 1.00 1.00 H new ATOM 0 HA THR A 15 40.692 -14.864 16.031 1.00 1.00 H new ATOM 0 HB THR A 15 38.422 -14.919 15.087 1.00 1.00 H new ATOM 0 HG1 THR A 15 37.392 -16.992 14.850 1.00 1.00 H new ATOM 0 HG21 THR A 15 38.880 -16.292 13.078 1.00 1.00 H new ATOM 0 HG22 THR A 15 40.328 -15.385 13.576 1.00 1.00 H new ATOM 0 HG23 THR A 15 40.195 -17.121 13.943 1.00 1.00 H new ATOM 224 N SER A 16 38.975 -14.193 17.833 1.00 1.00 N ATOM 225 CA SER A 16 38.320 -13.816 19.079 1.00 1.00 C ATOM 226 C SER A 16 37.448 -12.582 18.871 1.00 1.00 C ATOM 227 O SER A 16 37.597 -11.866 17.881 1.00 1.00 O ATOM 228 CB SER A 16 39.367 -13.527 20.155 1.00 1.00 C ATOM 229 OG SER A 16 40.307 -12.584 19.654 1.00 1.00 O ATOM 0 H SER A 16 39.096 -13.428 17.169 1.00 1.00 H new ATOM 0 HA SER A 16 37.689 -14.645 19.401 1.00 1.00 H new ATOM 0 HB2 SER A 16 38.886 -13.137 21.052 1.00 1.00 H new ATOM 0 HB3 SER A 16 39.875 -14.448 20.441 1.00 1.00 H new ATOM 0 HG SER A 16 40.979 -12.395 20.342 1.00 1.00 H new ATOM 235 N ASP A 17 36.539 -12.340 19.809 1.00 1.00 N ATOM 236 CA ASP A 17 35.649 -11.190 19.713 1.00 1.00 C ATOM 237 C ASP A 17 36.440 -9.892 19.841 1.00 1.00 C ATOM 238 O ASP A 17 37.370 -9.798 20.642 1.00 1.00 O ATOM 239 CB ASP A 17 34.590 -11.253 20.818 1.00 1.00 C ATOM 240 CG ASP A 17 33.492 -12.251 20.453 1.00 1.00 C ATOM 241 OD1 ASP A 17 33.415 -12.630 19.296 1.00 1.00 O ATOM 242 OD2 ASP A 17 32.743 -12.622 21.341 1.00 1.00 O ATOM 0 H ASP A 17 36.400 -12.919 20.637 1.00 1.00 H new ATOM 0 HA ASP A 17 35.160 -11.213 18.739 1.00 1.00 H new ATOM 0 HB2 ASP A 17 35.056 -11.544 21.759 1.00 1.00 H new ATOM 0 HB3 ASP A 17 34.155 -10.265 20.970 1.00 1.00 H new ATOM 247 N GLY A 18 36.063 -8.895 19.049 1.00 1.00 N ATOM 248 CA GLY A 18 36.743 -7.605 19.082 1.00 1.00 C ATOM 249 C GLY A 18 35.953 -6.554 18.311 1.00 1.00 C ATOM 250 O GLY A 18 35.002 -6.876 17.600 1.00 1.00 O ATOM 0 H GLY A 18 35.295 -8.954 18.380 1.00 1.00 H new ATOM 0 HA2 GLY A 18 36.871 -7.283 20.116 1.00 1.00 H new ATOM 0 HA3 GLY A 18 37.740 -7.704 18.653 1.00 1.00 H new ATOM 254 N ALA A 19 36.352 -5.293 18.457 1.00 1.00 N ATOM 255 CA ALA A 19 35.672 -4.203 17.768 1.00 1.00 C ATOM 256 C ALA A 19 35.902 -4.292 16.263 1.00 1.00 C ATOM 257 O ALA A 19 36.993 -4.637 15.809 1.00 1.00 O ATOM 258 CB ALA A 19 36.184 -2.857 18.284 1.00 1.00 C ATOM 0 H ALA A 19 37.136 -5.004 19.041 1.00 1.00 H new ATOM 0 HA ALA A 19 34.603 -4.286 17.967 1.00 1.00 H new ATOM 0 HB1 ALA A 19 35.670 -2.049 17.764 1.00 1.00 H new ATOM 0 HB2 ALA A 19 35.991 -2.780 19.354 1.00 1.00 H new ATOM 0 HB3 ALA A 19 37.256 -2.782 18.103 1.00 1.00 H new ATOM 264 N GLU A 20 34.865 -3.974 15.494 1.00 1.00 N ATOM 265 CA GLU A 20 34.962 -4.016 14.040 1.00 1.00 C ATOM 266 C GLU A 20 34.256 -2.813 13.425 1.00 1.00 C ATOM 267 O GLU A 20 33.261 -2.327 13.964 1.00 1.00 O ATOM 268 CB GLU A 20 34.334 -5.307 13.511 1.00 1.00 C ATOM 269 CG GLU A 20 35.183 -6.505 13.941 1.00 1.00 C ATOM 270 CD GLU A 20 34.517 -7.802 13.494 1.00 1.00 C ATOM 271 OE1 GLU A 20 33.471 -7.724 12.872 1.00 1.00 O ATOM 272 OE2 GLU A 20 35.064 -8.854 13.780 1.00 1.00 O ATOM 0 H GLU A 20 33.954 -3.686 15.851 1.00 1.00 H new ATOM 0 HA GLU A 20 36.016 -3.987 13.762 1.00 1.00 H new ATOM 0 HB2 GLU A 20 33.319 -5.412 13.893 1.00 1.00 H new ATOM 0 HB3 GLU A 20 34.263 -5.270 12.424 1.00 1.00 H new ATOM 0 HG2 GLU A 20 36.180 -6.430 13.507 1.00 1.00 H new ATOM 0 HG3 GLU A 20 35.306 -6.504 15.024 1.00 1.00 H new ATOM 279 N VAL A 21 34.772 -2.339 12.295 1.00 1.00 N ATOM 280 CA VAL A 21 34.178 -1.192 11.616 1.00 1.00 C ATOM 281 C VAL A 21 34.044 -1.459 10.121 1.00 1.00 C ATOM 282 O VAL A 21 34.726 -2.325 9.570 1.00 1.00 O ATOM 283 CB VAL A 21 35.043 0.048 11.836 1.00 1.00 C ATOM 284 CG1 VAL A 21 35.089 0.383 13.326 1.00 1.00 C ATOM 285 CG2 VAL A 21 36.462 -0.226 11.334 1.00 1.00 C ATOM 0 H VAL A 21 35.594 -2.728 11.833 1.00 1.00 H new ATOM 0 HA VAL A 21 33.185 -1.024 12.033 1.00 1.00 H new ATOM 0 HB VAL A 21 34.617 0.888 11.288 1.00 1.00 H new ATOM 0 HG11 VAL A 21 35.706 1.268 13.481 1.00 1.00 H new ATOM 0 HG12 VAL A 21 34.079 0.578 13.687 1.00 1.00 H new ATOM 0 HG13 VAL A 21 35.514 -0.457 13.875 1.00 1.00 H new ATOM 0 HG21 VAL A 21 37.080 0.658 11.490 1.00 1.00 H new ATOM 0 HG22 VAL A 21 36.886 -1.067 11.883 1.00 1.00 H new ATOM 0 HG23 VAL A 21 36.432 -0.464 10.271 1.00 1.00 H new ATOM 295 N GLU A 22 33.164 -0.706 9.470 1.00 1.00 N ATOM 296 CA GLU A 22 32.945 -0.861 8.036 1.00 1.00 C ATOM 297 C GLU A 22 32.905 0.503 7.352 1.00 1.00 C ATOM 298 O GLU A 22 32.315 0.654 6.282 1.00 1.00 O ATOM 299 CB GLU A 22 31.628 -1.599 7.786 1.00 1.00 C ATOM 300 CG GLU A 22 31.719 -3.038 8.310 1.00 1.00 C ATOM 301 CD GLU A 22 32.763 -3.825 7.521 1.00 1.00 C ATOM 302 OE1 GLU A 22 33.073 -3.416 6.414 1.00 1.00 O ATOM 303 OE2 GLU A 22 33.235 -4.825 8.035 1.00 1.00 O ATOM 0 H GLU A 22 32.593 0.015 9.910 1.00 1.00 H new ATOM 0 HA GLU A 22 33.769 -1.440 7.620 1.00 1.00 H new ATOM 0 HB2 GLU A 22 30.810 -1.075 8.280 1.00 1.00 H new ATOM 0 HB3 GLU A 22 31.404 -1.606 6.719 1.00 1.00 H new ATOM 0 HG2 GLU A 22 31.982 -3.031 9.368 1.00 1.00 H new ATOM 0 HG3 GLU A 22 30.747 -3.525 8.226 1.00 1.00 H new ATOM 310 N LEU A 23 33.540 1.492 7.974 1.00 1.00 N ATOM 311 CA LEU A 23 33.575 2.838 7.415 1.00 1.00 C ATOM 312 C LEU A 23 34.305 2.841 6.073 1.00 1.00 C ATOM 313 O LEU A 23 33.863 3.487 5.124 1.00 1.00 O ATOM 314 CB LEU A 23 34.283 3.784 8.395 1.00 1.00 C ATOM 315 CG LEU A 23 34.351 5.206 7.819 1.00 1.00 C ATOM 316 CD1 LEU A 23 32.941 5.714 7.508 1.00 1.00 C ATOM 317 CD2 LEU A 23 35.003 6.136 8.844 1.00 1.00 C ATOM 0 H LEU A 23 34.034 1.387 8.860 1.00 1.00 H new ATOM 0 HA LEU A 23 32.552 3.179 7.255 1.00 1.00 H new ATOM 0 HB2 LEU A 23 33.751 3.796 9.346 1.00 1.00 H new ATOM 0 HB3 LEU A 23 35.290 3.419 8.598 1.00 1.00 H new ATOM 0 HG LEU A 23 34.939 5.191 6.901 1.00 1.00 H new ATOM 0 HD11 LEU A 23 33.000 6.723 7.100 1.00 1.00 H new ATOM 0 HD12 LEU A 23 32.469 5.055 6.779 1.00 1.00 H new ATOM 0 HD13 LEU A 23 32.349 5.726 8.423 1.00 1.00 H new ATOM 0 HD21 LEU A 23 35.053 7.147 8.438 1.00 1.00 H new ATOM 0 HD22 LEU A 23 34.411 6.141 9.759 1.00 1.00 H new ATOM 0 HD23 LEU A 23 36.010 5.784 9.066 1.00 1.00 H new ATOM 329 N SER A 24 35.423 2.116 6.016 1.00 1.00 N ATOM 330 CA SER A 24 36.231 2.031 4.795 1.00 1.00 C ATOM 331 C SER A 24 37.671 1.662 5.147 1.00 1.00 C ATOM 332 O SER A 24 38.595 1.892 4.371 1.00 1.00 O ATOM 333 CB SER A 24 36.212 3.367 4.045 1.00 1.00 C ATOM 334 OG SER A 24 35.120 3.371 3.136 1.00 1.00 O ATOM 0 H SER A 24 35.791 1.578 6.801 1.00 1.00 H new ATOM 0 HA SER A 24 35.806 1.260 4.153 1.00 1.00 H new ATOM 0 HB2 SER A 24 36.118 4.193 4.750 1.00 1.00 H new ATOM 0 HB3 SER A 24 37.150 3.511 3.508 1.00 1.00 H new ATOM 0 HG SER A 24 34.278 3.368 3.637 1.00 1.00 H new ATOM 340 N ALA A 25 37.856 1.114 6.338 1.00 1.00 N ATOM 341 CA ALA A 25 39.191 0.750 6.792 1.00 1.00 C ATOM 342 C ALA A 25 39.946 -0.078 5.750 1.00 1.00 C ATOM 343 O ALA A 25 41.101 0.217 5.447 1.00 1.00 O ATOM 344 CB ALA A 25 39.104 -0.030 8.106 1.00 1.00 C ATOM 0 H ALA A 25 37.108 0.913 7.002 1.00 1.00 H new ATOM 0 HA ALA A 25 39.746 1.675 6.947 1.00 1.00 H new ATOM 0 HB1 ALA A 25 40.107 -0.298 8.437 1.00 1.00 H new ATOM 0 HB2 ALA A 25 38.624 0.588 8.865 1.00 1.00 H new ATOM 0 HB3 ALA A 25 38.519 -0.937 7.953 1.00 1.00 H new ATOM 350 N PRO A 26 39.344 -1.115 5.216 1.00 1.00 N ATOM 351 CA PRO A 26 40.022 -1.993 4.212 1.00 1.00 C ATOM 352 C PRO A 26 40.578 -1.222 3.013 1.00 1.00 C ATOM 353 O PRO A 26 41.730 -1.418 2.627 1.00 1.00 O ATOM 354 CB PRO A 26 38.918 -2.947 3.756 1.00 1.00 C ATOM 355 CG PRO A 26 37.906 -2.947 4.851 1.00 1.00 C ATOM 356 CD PRO A 26 37.970 -1.565 5.498 1.00 1.00 C ATOM 0 HA PRO A 26 40.887 -2.490 4.650 1.00 1.00 H new ATOM 0 HB2 PRO A 26 38.477 -2.615 2.816 1.00 1.00 H new ATOM 0 HB3 PRO A 26 39.312 -3.949 3.587 1.00 1.00 H new ATOM 0 HG2 PRO A 26 36.909 -3.146 4.458 1.00 1.00 H new ATOM 0 HG3 PRO A 26 38.123 -3.728 5.580 1.00 1.00 H new ATOM 0 HD2 PRO A 26 37.230 -0.888 5.071 1.00 1.00 H new ATOM 0 HD3 PRO A 26 37.776 -1.614 6.569 1.00 1.00 H new ATOM 364 N VAL A 27 39.771 -0.332 2.439 1.00 1.00 N ATOM 365 CA VAL A 27 40.235 0.465 1.305 1.00 1.00 C ATOM 366 C VAL A 27 41.252 1.503 1.768 1.00 1.00 C ATOM 367 O VAL A 27 42.223 1.781 1.067 1.00 1.00 O ATOM 368 CB VAL A 27 39.061 1.140 0.591 1.00 1.00 C ATOM 369 CG1 VAL A 27 38.195 0.067 -0.067 1.00 1.00 C ATOM 370 CG2 VAL A 27 38.214 1.921 1.596 1.00 1.00 C ATOM 0 H VAL A 27 38.812 -0.146 2.732 1.00 1.00 H new ATOM 0 HA VAL A 27 40.720 -0.204 0.594 1.00 1.00 H new ATOM 0 HB VAL A 27 39.446 1.827 -0.162 1.00 1.00 H new ATOM 0 HG11 VAL A 27 37.356 0.539 -0.578 1.00 1.00 H new ATOM 0 HG12 VAL A 27 38.792 -0.490 -0.789 1.00 1.00 H new ATOM 0 HG13 VAL A 27 37.818 -0.615 0.696 1.00 1.00 H new ATOM 0 HG21 VAL A 27 37.382 2.397 1.078 1.00 1.00 H new ATOM 0 HG22 VAL A 27 37.828 1.239 2.354 1.00 1.00 H new ATOM 0 HG23 VAL A 27 38.828 2.684 2.074 1.00 1.00 H new ATOM 380 N LEU A 28 41.026 2.066 2.952 1.00 1.00 N ATOM 381 CA LEU A 28 41.944 3.070 3.498 1.00 1.00 C ATOM 382 C LEU A 28 43.326 2.465 3.741 1.00 1.00 C ATOM 383 O LEU A 28 44.350 3.095 3.465 1.00 1.00 O ATOM 384 CB LEU A 28 41.400 3.649 4.812 1.00 1.00 C ATOM 385 CG LEU A 28 40.178 4.536 4.524 1.00 1.00 C ATOM 386 CD1 LEU A 28 39.494 4.922 5.839 1.00 1.00 C ATOM 387 CD2 LEU A 28 40.609 5.812 3.786 1.00 1.00 C ATOM 0 H LEU A 28 40.227 1.850 3.548 1.00 1.00 H new ATOM 0 HA LEU A 28 42.031 3.873 2.766 1.00 1.00 H new ATOM 0 HB2 LEU A 28 41.123 2.841 5.489 1.00 1.00 H new ATOM 0 HB3 LEU A 28 42.174 4.232 5.311 1.00 1.00 H new ATOM 0 HG LEU A 28 39.482 3.977 3.899 1.00 1.00 H new ATOM 0 HD11 LEU A 28 38.629 5.551 5.628 1.00 1.00 H new ATOM 0 HD12 LEU A 28 39.170 4.020 6.359 1.00 1.00 H new ATOM 0 HD13 LEU A 28 40.196 5.470 6.467 1.00 1.00 H new ATOM 0 HD21 LEU A 28 39.734 6.431 3.588 1.00 1.00 H new ATOM 0 HD22 LEU A 28 41.315 6.368 4.403 1.00 1.00 H new ATOM 0 HD23 LEU A 28 41.084 5.544 2.843 1.00 1.00 H new ATOM 399 N GLN A 29 43.344 1.241 4.266 1.00 1.00 N ATOM 400 CA GLN A 29 44.597 0.553 4.552 1.00 1.00 C ATOM 401 C GLN A 29 45.380 0.302 3.269 1.00 1.00 C ATOM 402 O GLN A 29 46.596 0.480 3.241 1.00 1.00 O ATOM 403 CB GLN A 29 44.313 -0.780 5.246 1.00 1.00 C ATOM 404 CG GLN A 29 45.637 -1.465 5.583 1.00 1.00 C ATOM 405 CD GLN A 29 45.383 -2.700 6.439 1.00 1.00 C ATOM 406 OE1 GLN A 29 44.306 -2.841 7.016 1.00 1.00 O ATOM 407 NE2 GLN A 29 46.314 -3.606 6.563 1.00 1.00 N ATOM 0 H GLN A 29 42.506 0.708 4.501 1.00 1.00 H new ATOM 0 HA GLN A 29 45.194 1.187 5.208 1.00 1.00 H new ATOM 0 HB2 GLN A 29 43.734 -0.614 6.155 1.00 1.00 H new ATOM 0 HB3 GLN A 29 43.713 -1.420 4.599 1.00 1.00 H new ATOM 0 HG2 GLN A 29 46.153 -1.748 4.666 1.00 1.00 H new ATOM 0 HG3 GLN A 29 46.289 -0.772 6.115 1.00 1.00 H new ATOM 0 HE21 GLN A 29 47.207 -3.489 6.084 1.00 1.00 H new ATOM 0 HE22 GLN A 29 46.149 -4.432 7.139 1.00 1.00 H new ATOM 416 N GLU A 30 44.685 -0.098 2.209 1.00 1.00 N ATOM 417 CA GLU A 30 45.354 -0.357 0.932 1.00 1.00 C ATOM 418 C GLU A 30 45.901 0.935 0.342 1.00 1.00 C ATOM 419 O GLU A 30 47.009 0.951 -0.183 1.00 1.00 O ATOM 420 CB GLU A 30 44.378 -0.983 -0.068 1.00 1.00 C ATOM 421 CG GLU A 30 43.964 -2.380 0.416 1.00 1.00 C ATOM 422 CD GLU A 30 45.164 -3.329 0.443 1.00 1.00 C ATOM 423 OE1 GLU A 30 46.117 -3.069 -0.270 1.00 1.00 O ATOM 424 OE2 GLU A 30 45.101 -4.321 1.159 1.00 1.00 O ATOM 0 H GLU A 30 43.676 -0.249 2.203 1.00 1.00 H new ATOM 0 HA GLU A 30 46.176 -1.047 1.121 1.00 1.00 H new ATOM 0 HB2 GLU A 30 43.498 -0.350 -0.176 1.00 1.00 H new ATOM 0 HB3 GLU A 30 44.844 -1.052 -1.051 1.00 1.00 H new ATOM 0 HG2 GLU A 30 43.529 -2.309 1.413 1.00 1.00 H new ATOM 0 HG3 GLU A 30 43.192 -2.782 -0.240 1.00 1.00 H new ATOM 431 N ILE A 31 45.141 2.011 0.441 1.00 1.00 N ATOM 432 CA ILE A 31 45.593 3.304 -0.074 1.00 1.00 C ATOM 433 C ILE A 31 46.810 3.784 0.727 1.00 1.00 C ATOM 434 O ILE A 31 47.774 4.330 0.164 1.00 1.00 O ATOM 435 CB ILE A 31 44.465 4.341 0.008 1.00 1.00 C ATOM 436 CG1 ILE A 31 43.331 3.947 -0.952 1.00 1.00 C ATOM 437 CG2 ILE A 31 45.015 5.714 -0.388 1.00 1.00 C ATOM 438 CD1 ILE A 31 42.100 4.799 -0.668 1.00 1.00 C ATOM 0 H ILE A 31 44.215 2.023 0.868 1.00 1.00 H new ATOM 0 HA ILE A 31 45.876 3.185 -1.120 1.00 1.00 H new ATOM 0 HB ILE A 31 44.077 4.380 1.026 1.00 1.00 H new ATOM 0 HG12 ILE A 31 43.651 4.086 -1.985 1.00 1.00 H new ATOM 0 HG13 ILE A 31 43.090 2.891 -0.832 1.00 1.00 H new ATOM 0 HG21 ILE A 31 44.218 6.455 -0.332 1.00 1.00 H new ATOM 0 HG22 ILE A 31 45.819 5.994 0.292 1.00 1.00 H new ATOM 0 HG23 ILE A 31 45.400 5.672 -1.407 1.00 1.00 H new ATOM 0 HD11 ILE A 31 41.298 4.518 -1.350 1.00 1.00 H new ATOM 0 HD12 ILE A 31 41.776 4.638 0.360 1.00 1.00 H new ATOM 0 HD13 ILE A 31 42.345 5.851 -0.811 1.00 1.00 H new ATOM 450 N TYR A 32 46.747 3.604 2.040 1.00 1.00 N ATOM 451 CA TYR A 32 47.852 4.029 2.898 1.00 1.00 C ATOM 452 C TYR A 32 49.114 3.251 2.544 1.00 1.00 C ATOM 453 O TYR A 32 50.190 3.829 2.407 1.00 1.00 O ATOM 454 CB TYR A 32 47.503 3.829 4.380 1.00 1.00 C ATOM 455 CG TYR A 32 48.701 4.184 5.228 1.00 1.00 C ATOM 456 CD1 TYR A 32 49.026 5.525 5.465 1.00 1.00 C ATOM 457 CD2 TYR A 32 49.484 3.166 5.781 1.00 1.00 C ATOM 458 CE1 TYR A 32 50.133 5.850 6.258 1.00 1.00 C ATOM 459 CE2 TYR A 32 50.591 3.488 6.577 1.00 1.00 C ATOM 460 CZ TYR A 32 50.915 4.830 6.817 1.00 1.00 C ATOM 461 OH TYR A 32 52.004 5.148 7.606 1.00 1.00 O ATOM 0 H TYR A 32 45.961 3.176 2.529 1.00 1.00 H new ATOM 0 HA TYR A 32 48.029 5.092 2.731 1.00 1.00 H new ATOM 0 HB2 TYR A 32 46.652 4.454 4.652 1.00 1.00 H new ATOM 0 HB3 TYR A 32 47.210 2.795 4.560 1.00 1.00 H new ATOM 0 HD1 TYR A 32 48.422 6.310 5.035 1.00 1.00 H new ATOM 0 HD2 TYR A 32 49.235 2.132 5.595 1.00 1.00 H new ATOM 0 HE1 TYR A 32 50.384 6.885 6.439 1.00 1.00 H new ATOM 0 HE2 TYR A 32 51.195 2.702 7.006 1.00 1.00 H new ATOM 0 HH TYR A 32 52.436 4.324 7.915 1.00 1.00 H new ATOM 471 N LEU A 33 48.978 1.941 2.386 1.00 1.00 N ATOM 472 CA LEU A 33 50.115 1.102 2.032 1.00 1.00 C ATOM 473 C LEU A 33 50.663 1.490 0.657 1.00 1.00 C ATOM 474 O LEU A 33 51.877 1.579 0.462 1.00 1.00 O ATOM 475 CB LEU A 33 49.680 -0.368 2.046 1.00 1.00 C ATOM 476 CG LEU A 33 50.858 -1.286 1.667 1.00 1.00 C ATOM 477 CD1 LEU A 33 52.022 -1.078 2.641 1.00 1.00 C ATOM 478 CD2 LEU A 33 50.410 -2.755 1.721 1.00 1.00 C ATOM 0 H LEU A 33 48.097 1.439 2.497 1.00 1.00 H new ATOM 0 HA LEU A 33 50.912 1.248 2.761 1.00 1.00 H new ATOM 0 HB2 LEU A 33 49.309 -0.634 3.036 1.00 1.00 H new ATOM 0 HB3 LEU A 33 48.857 -0.516 1.347 1.00 1.00 H new ATOM 0 HG LEU A 33 51.184 -1.039 0.657 1.00 1.00 H new ATOM 0 HD11 LEU A 33 52.849 -1.732 2.364 1.00 1.00 H new ATOM 0 HD12 LEU A 33 52.350 -0.039 2.599 1.00 1.00 H new ATOM 0 HD13 LEU A 33 51.696 -1.315 3.654 1.00 1.00 H new ATOM 0 HD21 LEU A 33 51.246 -3.401 1.452 1.00 1.00 H new ATOM 0 HD22 LEU A 33 50.075 -2.996 2.730 1.00 1.00 H new ATOM 0 HD23 LEU A 33 49.591 -2.912 1.019 1.00 1.00 H new ATOM 490 N SER A 34 49.760 1.736 -0.284 1.00 1.00 N ATOM 491 CA SER A 34 50.158 2.136 -1.625 1.00 1.00 C ATOM 492 C SER A 34 50.866 3.487 -1.589 1.00 1.00 C ATOM 493 O SER A 34 51.831 3.716 -2.320 1.00 1.00 O ATOM 494 CB SER A 34 48.929 2.204 -2.534 1.00 1.00 C ATOM 495 OG SER A 34 48.394 0.893 -2.707 1.00 1.00 O ATOM 0 H SER A 34 48.752 1.666 -0.143 1.00 1.00 H new ATOM 0 HA SER A 34 50.851 1.395 -2.022 1.00 1.00 H new ATOM 0 HB2 SER A 34 48.177 2.861 -2.098 1.00 1.00 H new ATOM 0 HB3 SER A 34 49.201 2.628 -3.501 1.00 1.00 H new ATOM 0 HG SER A 34 47.834 0.664 -1.936 1.00 1.00 H new ATOM 501 N GLY A 35 50.373 4.387 -0.747 1.00 1.00 N ATOM 502 CA GLY A 35 50.972 5.711 -0.636 1.00 1.00 C ATOM 503 C GLY A 35 52.398 5.634 -0.095 1.00 1.00 C ATOM 504 O GLY A 35 53.270 6.376 -0.540 1.00 1.00 O ATOM 0 H GLY A 35 49.570 4.228 -0.138 1.00 1.00 H new ATOM 0 HA2 GLY A 35 50.978 6.192 -1.614 1.00 1.00 H new ATOM 0 HA3 GLY A 35 50.365 6.333 0.022 1.00 1.00 H new ATOM 508 N LEU A 36 52.652 4.743 0.859 1.00 1.00 N ATOM 509 CA LEU A 36 53.986 4.620 1.430 1.00 1.00 C ATOM 510 C LEU A 36 54.987 4.212 0.357 1.00 1.00 C ATOM 511 O LEU A 36 56.107 4.732 0.312 1.00 1.00 O ATOM 512 CB LEU A 36 53.985 3.573 2.547 1.00 1.00 C ATOM 513 CG LEU A 36 53.195 4.097 3.754 1.00 1.00 C ATOM 514 CD1 LEU A 36 53.025 2.968 4.771 1.00 1.00 C ATOM 515 CD2 LEU A 36 53.941 5.267 4.413 1.00 1.00 C ATOM 0 H LEU A 36 51.960 4.103 1.248 1.00 1.00 H new ATOM 0 HA LEU A 36 54.276 5.588 1.840 1.00 1.00 H new ATOM 0 HB2 LEU A 36 53.542 2.645 2.187 1.00 1.00 H new ATOM 0 HB3 LEU A 36 55.009 3.344 2.843 1.00 1.00 H new ATOM 0 HG LEU A 36 52.219 4.446 3.416 1.00 1.00 H new ATOM 0 HD11 LEU A 36 52.464 3.334 5.631 1.00 1.00 H new ATOM 0 HD12 LEU A 36 52.484 2.142 4.310 1.00 1.00 H new ATOM 0 HD13 LEU A 36 54.006 2.622 5.098 1.00 1.00 H new ATOM 0 HD21 LEU A 36 53.369 5.628 5.267 1.00 1.00 H new ATOM 0 HD22 LEU A 36 54.922 4.930 4.749 1.00 1.00 H new ATOM 0 HD23 LEU A 36 54.063 6.074 3.691 1.00 1.00 H new ATOM 527 N ARG A 37 54.589 3.293 -0.507 1.00 1.00 N ATOM 528 CA ARG A 37 55.481 2.850 -1.569 1.00 1.00 C ATOM 529 C ARG A 37 55.793 3.999 -2.531 1.00 1.00 C ATOM 530 O ARG A 37 56.940 4.188 -2.934 1.00 1.00 O ATOM 531 CB ARG A 37 54.842 1.697 -2.344 1.00 1.00 C ATOM 532 CG ARG A 37 54.829 0.440 -1.469 1.00 1.00 C ATOM 533 CD ARG A 37 54.157 -0.707 -2.225 1.00 1.00 C ATOM 534 NE ARG A 37 52.734 -0.431 -2.397 1.00 1.00 N ATOM 535 CZ ARG A 37 51.944 -1.274 -3.056 1.00 1.00 C ATOM 536 NH1 ARG A 37 52.438 -2.371 -3.559 1.00 1.00 N ATOM 537 NH2 ARG A 37 50.675 -1.007 -3.205 1.00 1.00 N ATOM 0 H ARG A 37 53.672 2.845 -0.497 1.00 1.00 H new ATOM 0 HA ARG A 37 56.411 2.511 -1.112 1.00 1.00 H new ATOM 0 HB2 ARG A 37 53.825 1.960 -2.636 1.00 1.00 H new ATOM 0 HB3 ARG A 37 55.399 1.509 -3.262 1.00 1.00 H new ATOM 0 HG2 ARG A 37 55.848 0.163 -1.199 1.00 1.00 H new ATOM 0 HG3 ARG A 37 54.295 0.638 -0.539 1.00 1.00 H new ATOM 0 HD2 ARG A 37 54.630 -0.837 -3.198 1.00 1.00 H new ATOM 0 HD3 ARG A 37 54.291 -1.640 -1.678 1.00 1.00 H new ATOM 0 HE ARG A 37 52.338 0.424 -2.005 1.00 1.00 H new ATOM 0 HH11 ARG A 37 53.430 -2.582 -3.447 1.00 1.00 H new ATOM 0 HH12 ARG A 37 51.833 -3.018 -4.064 1.00 1.00 H new ATOM 0 HH21 ARG A 37 50.285 -0.149 -2.815 1.00 1.00 H new ATOM 0 HH22 ARG A 37 50.073 -1.657 -3.711 1.00 1.00 H new ATOM 551 N SER A 38 54.765 4.779 -2.867 1.00 1.00 N ATOM 552 CA SER A 38 54.922 5.934 -3.753 1.00 1.00 C ATOM 553 C SER A 38 55.663 7.076 -3.056 1.00 1.00 C ATOM 554 O SER A 38 56.417 7.819 -3.686 1.00 1.00 O ATOM 555 CB SER A 38 53.548 6.421 -4.214 1.00 1.00 C ATOM 556 OG SER A 38 52.763 6.750 -3.076 1.00 1.00 O ATOM 0 H SER A 38 53.811 4.631 -2.538 1.00 1.00 H new ATOM 0 HA SER A 38 55.513 5.621 -4.614 1.00 1.00 H new ATOM 0 HB2 SER A 38 53.656 7.292 -4.861 1.00 1.00 H new ATOM 0 HB3 SER A 38 53.053 5.647 -4.801 1.00 1.00 H new ATOM 0 HG SER A 38 53.236 6.477 -2.262 1.00 1.00 H new ATOM 562 N TRP A 39 55.427 7.211 -1.755 1.00 1.00 N ATOM 563 CA TRP A 39 56.046 8.268 -0.956 1.00 1.00 C ATOM 564 C TRP A 39 57.566 8.180 -0.967 1.00 1.00 C ATOM 565 O TRP A 39 58.243 9.201 -0.939 1.00 1.00 O ATOM 566 CB TRP A 39 55.548 8.186 0.488 1.00 1.00 C ATOM 567 CG TRP A 39 54.135 8.689 0.593 1.00 1.00 C ATOM 568 CD1 TRP A 39 53.306 8.969 -0.448 1.00 1.00 C ATOM 569 CD2 TRP A 39 53.374 8.986 1.803 1.00 1.00 C ATOM 570 NE1 TRP A 39 52.094 9.406 0.050 1.00 1.00 N ATOM 571 CE2 TRP A 39 52.086 9.436 1.428 1.00 1.00 C ATOM 572 CE3 TRP A 39 53.674 8.907 3.176 1.00 1.00 C ATOM 573 CZ2 TRP A 39 51.130 9.794 2.380 1.00 1.00 C ATOM 574 CZ3 TRP A 39 52.713 9.267 4.136 1.00 1.00 C ATOM 575 CH2 TRP A 39 51.443 9.709 3.738 1.00 1.00 C ATOM 0 H TRP A 39 54.807 6.597 -1.226 1.00 1.00 H new ATOM 0 HA TRP A 39 55.761 9.221 -1.402 1.00 1.00 H new ATOM 0 HB2 TRP A 39 55.599 7.155 0.837 1.00 1.00 H new ATOM 0 HB3 TRP A 39 56.198 8.774 1.136 1.00 1.00 H new ATOM 0 HD1 TRP A 39 53.555 8.866 -1.494 1.00 1.00 H new ATOM 0 HE1 TRP A 39 51.300 9.674 -0.532 1.00 1.00 H new ATOM 0 HE3 TRP A 39 54.649 8.568 3.494 1.00 1.00 H new ATOM 0 HZ2 TRP A 39 50.154 10.135 2.068 1.00 1.00 H new ATOM 0 HZ3 TRP A 39 52.954 9.203 5.187 1.00 1.00 H new ATOM 0 HH2 TRP A 39 50.708 9.983 4.481 1.00 1.00 H new ATOM 586 N LYS A 40 58.115 6.977 -0.996 1.00 1.00 N ATOM 587 CA LYS A 40 59.566 6.855 -0.981 1.00 1.00 C ATOM 588 C LYS A 40 60.156 7.616 -2.166 1.00 1.00 C ATOM 589 O LYS A 40 61.190 8.268 -2.017 1.00 1.00 O ATOM 590 CB LYS A 40 59.970 5.381 -1.061 1.00 1.00 C ATOM 591 CG LYS A 40 59.557 4.666 0.228 1.00 1.00 C ATOM 592 CD LYS A 40 59.944 3.189 0.138 1.00 1.00 C ATOM 593 CE LYS A 40 59.536 2.478 1.428 1.00 1.00 C ATOM 594 NZ LYS A 40 59.907 1.037 1.342 1.00 1.00 N ATOM 0 H LYS A 40 57.600 6.097 -1.029 1.00 1.00 H new ATOM 0 HA LYS A 40 59.949 7.277 -0.052 1.00 1.00 H new ATOM 0 HB2 LYS A 40 59.493 4.909 -1.920 1.00 1.00 H new ATOM 0 HB3 LYS A 40 61.047 5.296 -1.207 1.00 1.00 H new ATOM 0 HG2 LYS A 40 60.045 5.129 1.086 1.00 1.00 H new ATOM 0 HG3 LYS A 40 58.482 4.763 0.382 1.00 1.00 H new ATOM 0 HD2 LYS A 40 59.453 2.724 -0.717 1.00 1.00 H new ATOM 0 HD3 LYS A 40 61.018 3.092 -0.020 1.00 1.00 H new ATOM 0 HE2 LYS A 40 60.030 2.941 2.282 1.00 1.00 H new ATOM 0 HE3 LYS A 40 58.462 2.579 1.587 1.00 1.00 H new ATOM 0 HZ1 LYS A 40 59.629 0.554 2.220 1.00 1.00 H new ATOM 0 HZ2 LYS A 40 59.416 0.600 0.536 1.00 1.00 H new ATOM 0 HZ3 LYS A 40 60.935 0.950 1.210 1.00 1.00 H new ATOM 608 N ARG A 41 59.530 7.556 -3.332 1.00 1.00 N ATOM 609 CA ARG A 41 60.072 8.277 -4.479 1.00 1.00 C ATOM 610 C ARG A 41 60.132 9.784 -4.199 1.00 1.00 C ATOM 611 O ARG A 41 61.118 10.465 -4.484 1.00 1.00 O ATOM 612 CB ARG A 41 59.201 8.016 -5.713 1.00 1.00 C ATOM 613 CG ARG A 41 59.815 8.695 -6.943 1.00 1.00 C ATOM 614 CD ARG A 41 58.934 8.431 -8.163 1.00 1.00 C ATOM 615 NE ARG A 41 58.970 7.016 -8.514 1.00 1.00 N ATOM 616 CZ ARG A 41 58.261 6.541 -9.532 1.00 1.00 C ATOM 617 NH1 ARG A 41 57.518 7.347 -10.242 1.00 1.00 N ATOM 618 NH2 ARG A 41 58.310 5.271 -9.824 1.00 1.00 N ATOM 0 H ARG A 41 58.672 7.033 -3.510 1.00 1.00 H new ATOM 0 HA ARG A 41 61.085 7.919 -4.663 1.00 1.00 H new ATOM 0 HB2 ARG A 41 59.113 6.943 -5.886 1.00 1.00 H new ATOM 0 HB3 ARG A 41 58.193 8.395 -5.543 1.00 1.00 H new ATOM 0 HG2 ARG A 41 59.906 9.768 -6.772 1.00 1.00 H new ATOM 0 HG3 ARG A 41 60.821 8.314 -7.118 1.00 1.00 H new ATOM 0 HD2 ARG A 41 57.909 8.735 -7.953 1.00 1.00 H new ATOM 0 HD3 ARG A 41 59.278 9.031 -9.006 1.00 1.00 H new ATOM 0 HE ARG A 41 59.550 6.379 -7.968 1.00 1.00 H new ATOM 0 HH11 ARG A 41 57.482 8.341 -10.015 1.00 1.00 H new ATOM 0 HH12 ARG A 41 56.973 6.983 -11.024 1.00 1.00 H new ATOM 0 HH21 ARG A 41 58.893 4.643 -9.271 1.00 1.00 H new ATOM 0 HH22 ARG A 41 57.766 4.906 -10.606 1.00 1.00 H new ATOM 632 N HIS A 42 59.035 10.260 -3.612 1.00 1.00 N ATOM 633 CA HIS A 42 58.884 11.671 -3.237 1.00 1.00 C ATOM 634 C HIS A 42 59.752 12.016 -2.019 1.00 1.00 C ATOM 635 O HIS A 42 60.306 13.111 -1.922 1.00 1.00 O ATOM 636 CB HIS A 42 57.418 11.973 -2.917 1.00 1.00 C ATOM 637 CG HIS A 42 56.589 11.829 -4.166 1.00 1.00 C ATOM 638 ND1 HIS A 42 56.632 12.758 -5.193 1.00 1.00 N ATOM 639 CD2 HIS A 42 55.692 10.868 -4.566 1.00 1.00 C ATOM 640 CE1 HIS A 42 55.784 12.343 -6.152 1.00 1.00 C ATOM 641 NE2 HIS A 42 55.186 11.195 -5.821 1.00 1.00 N ATOM 0 H HIS A 42 58.226 9.683 -3.382 1.00 1.00 H new ATOM 0 HA HIS A 42 59.211 12.280 -4.080 1.00 1.00 H new ATOM 0 HB2 HIS A 42 57.055 11.292 -2.147 1.00 1.00 H new ATOM 0 HB3 HIS A 42 57.323 12.983 -2.519 1.00 1.00 H new ATOM 0 HD2 HIS A 42 55.421 9.993 -3.994 1.00 1.00 H new ATOM 0 HE1 HIS A 42 55.608 12.873 -7.076 1.00 1.00 H new ATOM 0 HE2 HIS A 42 54.505 10.671 -6.370 1.00 1.00 H new ATOM 649 N LEU A 43 59.872 11.056 -1.111 1.00 1.00 N ATOM 650 CA LEU A 43 60.673 11.191 0.108 1.00 1.00 C ATOM 651 C LEU A 43 62.148 10.883 -0.133 1.00 1.00 C ATOM 652 O LEU A 43 62.960 10.992 0.785 1.00 1.00 O ATOM 653 CB LEU A 43 60.123 10.324 1.243 1.00 1.00 C ATOM 654 CG LEU A 43 59.035 11.096 2.012 1.00 1.00 C ATOM 655 CD1 LEU A 43 57.898 11.529 1.079 1.00 1.00 C ATOM 656 CD2 LEU A 43 58.464 10.196 3.109 1.00 1.00 C ATOM 0 H LEU A 43 59.412 10.150 -1.197 1.00 1.00 H new ATOM 0 HA LEU A 43 60.600 12.236 0.410 1.00 1.00 H new ATOM 0 HB2 LEU A 43 59.709 9.400 0.839 1.00 1.00 H new ATOM 0 HB3 LEU A 43 60.929 10.042 1.921 1.00 1.00 H new ATOM 0 HG LEU A 43 59.487 11.989 2.444 1.00 1.00 H new ATOM 0 HD11 LEU A 43 57.145 12.072 1.651 1.00 1.00 H new ATOM 0 HD12 LEU A 43 58.296 12.176 0.297 1.00 1.00 H new ATOM 0 HD13 LEU A 43 57.444 10.648 0.626 1.00 1.00 H new ATOM 0 HD21 LEU A 43 57.693 10.736 3.658 1.00 1.00 H new ATOM 0 HD22 LEU A 43 58.031 9.303 2.658 1.00 1.00 H new ATOM 0 HD23 LEU A 43 59.261 9.906 3.794 1.00 1.00 H new ATOM 668 N SER A 44 62.490 10.438 -1.339 1.00 1.00 N ATOM 669 CA SER A 44 63.865 10.053 -1.639 1.00 1.00 C ATOM 670 C SER A 44 64.857 11.152 -1.265 1.00 1.00 C ATOM 671 O SER A 44 65.913 10.852 -0.711 1.00 1.00 O ATOM 672 CB SER A 44 63.998 9.739 -3.129 1.00 1.00 C ATOM 673 OG SER A 44 63.099 8.692 -3.470 1.00 1.00 O ATOM 0 H SER A 44 61.840 10.336 -2.118 1.00 1.00 H new ATOM 0 HA SER A 44 64.098 9.170 -1.044 1.00 1.00 H new ATOM 0 HB2 SER A 44 63.780 10.628 -3.721 1.00 1.00 H new ATOM 0 HB3 SER A 44 65.022 9.445 -3.361 1.00 1.00 H new ATOM 0 HG SER A 44 62.685 8.338 -2.655 1.00 1.00 H new ATOM 679 N ARG A 45 64.557 12.411 -1.573 1.00 1.00 N ATOM 680 CA ARG A 45 65.509 13.470 -1.249 1.00 1.00 C ATOM 681 C ARG A 45 65.757 13.519 0.255 1.00 1.00 C ATOM 682 O ARG A 45 66.905 13.529 0.703 1.00 1.00 O ATOM 683 CB ARG A 45 64.971 14.822 -1.730 1.00 1.00 C ATOM 684 CG ARG A 45 66.016 15.913 -1.482 1.00 1.00 C ATOM 685 CD ARG A 45 65.485 17.252 -1.996 1.00 1.00 C ATOM 686 NE ARG A 45 64.322 17.665 -1.217 1.00 1.00 N ATOM 687 CZ ARG A 45 63.633 18.755 -1.538 1.00 1.00 C ATOM 688 NH1 ARG A 45 63.993 19.474 -2.566 1.00 1.00 N ATOM 689 NH2 ARG A 45 62.597 19.107 -0.826 1.00 1.00 N ATOM 0 H ARG A 45 63.697 12.716 -2.029 1.00 1.00 H new ATOM 0 HA ARG A 45 66.451 13.258 -1.754 1.00 1.00 H new ATOM 0 HB2 ARG A 45 64.730 14.771 -2.792 1.00 1.00 H new ATOM 0 HB3 ARG A 45 64.047 15.064 -1.205 1.00 1.00 H new ATOM 0 HG2 ARG A 45 66.240 15.982 -0.417 1.00 1.00 H new ATOM 0 HG3 ARG A 45 66.948 15.661 -1.988 1.00 1.00 H new ATOM 0 HD2 ARG A 45 66.265 18.011 -1.929 1.00 1.00 H new ATOM 0 HD3 ARG A 45 65.215 17.165 -3.048 1.00 1.00 H new ATOM 0 HE ARG A 45 64.033 17.108 -0.413 1.00 1.00 H new ATOM 0 HH11 ARG A 45 64.803 19.199 -3.122 1.00 1.00 H new ATOM 0 HH12 ARG A 45 63.465 20.311 -2.813 1.00 1.00 H new ATOM 0 HH21 ARG A 45 62.316 18.545 -0.022 1.00 1.00 H new ATOM 0 HH22 ARG A 45 62.069 19.944 -1.073 1.00 1.00 H new ATOM 703 N PHE A 46 64.680 13.535 1.033 1.00 1.00 N ATOM 704 CA PHE A 46 64.779 13.566 2.488 1.00 1.00 C ATOM 705 C PHE A 46 65.484 12.319 3.012 1.00 1.00 C ATOM 706 O PHE A 46 66.349 12.396 3.885 1.00 1.00 O ATOM 707 CB PHE A 46 63.383 13.659 3.104 1.00 1.00 C ATOM 708 CG PHE A 46 63.497 13.703 4.608 1.00 1.00 C ATOM 709 CD1 PHE A 46 63.937 14.871 5.241 1.00 1.00 C ATOM 710 CD2 PHE A 46 63.162 12.577 5.370 1.00 1.00 C ATOM 711 CE1 PHE A 46 64.044 14.913 6.637 1.00 1.00 C ATOM 712 CE2 PHE A 46 63.269 12.619 6.764 1.00 1.00 C ATOM 713 CZ PHE A 46 63.710 13.786 7.398 1.00 1.00 C ATOM 0 H PHE A 46 63.724 13.527 0.678 1.00 1.00 H new ATOM 0 HA PHE A 46 65.363 14.442 2.771 1.00 1.00 H new ATOM 0 HB2 PHE A 46 62.873 14.551 2.741 1.00 1.00 H new ATOM 0 HB3 PHE A 46 62.782 12.802 2.799 1.00 1.00 H new ATOM 0 HD1 PHE A 46 64.194 15.740 4.653 1.00 1.00 H new ATOM 0 HD2 PHE A 46 62.821 11.676 4.881 1.00 1.00 H new ATOM 0 HE1 PHE A 46 64.384 15.814 7.126 1.00 1.00 H new ATOM 0 HE2 PHE A 46 63.011 11.750 7.351 1.00 1.00 H new ATOM 0 HZ PHE A 46 63.793 13.817 8.474 1.00 1.00 H new ATOM 723 N TRP A 47 65.092 11.172 2.472 1.00 1.00 N ATOM 724 CA TRP A 47 65.667 9.895 2.880 1.00 1.00 C ATOM 725 C TRP A 47 67.158 9.820 2.565 1.00 1.00 C ATOM 726 O TRP A 47 67.947 9.321 3.367 1.00 1.00 O ATOM 727 CB TRP A 47 64.941 8.750 2.172 1.00 1.00 C ATOM 728 CG TRP A 47 65.669 7.467 2.424 1.00 1.00 C ATOM 729 CD1 TRP A 47 65.465 6.654 3.487 1.00 1.00 C ATOM 730 CD2 TRP A 47 66.707 6.836 1.618 1.00 1.00 C ATOM 731 NE1 TRP A 47 66.314 5.566 3.385 1.00 1.00 N ATOM 732 CE2 TRP A 47 67.099 5.633 2.251 1.00 1.00 C ATOM 733 CE3 TRP A 47 67.340 7.188 0.414 1.00 1.00 C ATOM 734 CZ2 TRP A 47 68.085 4.808 1.707 1.00 1.00 C ATOM 735 CZ3 TRP A 47 68.332 6.361 -0.137 1.00 1.00 C ATOM 736 CH2 TRP A 47 68.703 5.173 0.509 1.00 1.00 C ATOM 0 H TRP A 47 64.377 11.099 1.749 1.00 1.00 H new ATOM 0 HA TRP A 47 65.544 9.807 3.959 1.00 1.00 H new ATOM 0 HB2 TRP A 47 63.916 8.676 2.534 1.00 1.00 H new ATOM 0 HB3 TRP A 47 64.887 8.946 1.101 1.00 1.00 H new ATOM 0 HD1 TRP A 47 64.756 6.826 4.284 1.00 1.00 H new ATOM 0 HE1 TRP A 47 66.355 4.807 4.065 1.00 1.00 H new ATOM 0 HE3 TRP A 47 67.062 8.101 -0.091 1.00 1.00 H new ATOM 0 HZ2 TRP A 47 68.368 3.894 2.209 1.00 1.00 H new ATOM 0 HZ3 TRP A 47 68.812 6.641 -1.063 1.00 1.00 H new ATOM 0 HH2 TRP A 47 69.466 4.541 0.080 1.00 1.00 H new ATOM 747 N ASN A 48 67.536 10.319 1.391 1.00 1.00 N ATOM 748 CA ASN A 48 68.934 10.302 0.978 1.00 1.00 C ATOM 749 C ASN A 48 69.781 11.154 1.916 1.00 1.00 C ATOM 750 O ASN A 48 70.897 10.777 2.276 1.00 1.00 O ATOM 751 CB ASN A 48 69.063 10.831 -0.452 1.00 1.00 C ATOM 752 CG ASN A 48 70.526 10.822 -0.884 1.00 1.00 C ATOM 753 OD1 ASN A 48 71.309 10.002 -0.406 1.00 1.00 O ATOM 754 ND2 ASN A 48 70.942 11.690 -1.766 1.00 1.00 N ATOM 0 H ASN A 48 66.898 10.737 0.714 1.00 1.00 H new ATOM 0 HA ASN A 48 69.292 9.273 1.018 1.00 1.00 H new ATOM 0 HB2 ASN A 48 68.472 10.216 -1.130 1.00 1.00 H new ATOM 0 HB3 ASN A 48 68.665 11.844 -0.511 1.00 1.00 H new ATOM 0 HD21 ASN A 48 71.919 11.690 -2.061 1.00 1.00 H new ATOM 0 HD22 ASN A 48 70.290 12.368 -2.160 1.00 1.00 H new ATOM 761 N ASP A 49 69.246 12.305 2.309 1.00 1.00 N ATOM 762 CA ASP A 49 69.965 13.203 3.204 1.00 1.00 C ATOM 763 C ASP A 49 69.645 12.882 4.660 1.00 1.00 C ATOM 764 O ASP A 49 68.526 13.104 5.123 1.00 1.00 O ATOM 765 CB ASP A 49 69.585 14.655 2.906 1.00 1.00 C ATOM 766 CG ASP A 49 70.383 15.598 3.800 1.00 1.00 C ATOM 767 OD1 ASP A 49 71.076 15.108 4.675 1.00 1.00 O ATOM 768 OD2 ASP A 49 70.288 16.797 3.595 1.00 1.00 O ATOM 0 H ASP A 49 68.324 12.636 2.024 1.00 1.00 H new ATOM 0 HA ASP A 49 71.034 13.066 3.040 1.00 1.00 H new ATOM 0 HB2 ASP A 49 69.780 14.883 1.858 1.00 1.00 H new ATOM 0 HB3 ASP A 49 68.517 14.801 3.071 1.00 1.00 H new ATOM 773 N PHE A 50 70.634 12.357 5.375 1.00 1.00 N ATOM 774 CA PHE A 50 70.449 12.006 6.780 1.00 1.00 C ATOM 775 C PHE A 50 69.090 11.351 6.994 1.00 1.00 C ATOM 776 O PHE A 50 68.995 10.150 6.797 1.00 1.00 O ATOM 777 CB PHE A 50 70.557 13.260 7.649 1.00 1.00 C ATOM 778 CG PHE A 50 70.317 12.893 9.094 1.00 1.00 C ATOM 779 CD1 PHE A 50 71.300 12.205 9.814 1.00 1.00 C ATOM 780 CD2 PHE A 50 69.110 13.242 9.713 1.00 1.00 C ATOM 781 CE1 PHE A 50 71.077 11.864 11.153 1.00 1.00 C ATOM 782 CE2 PHE A 50 68.887 12.901 11.053 1.00 1.00 C ATOM 783 CZ PHE A 50 69.870 12.212 11.772 1.00 1.00 C ATOM 784 OXT PHE A 50 68.162 12.059 7.352 1.00 1.00 O ATOM 0 H PHE A 50 71.567 12.166 5.009 1.00 1.00 H new ATOM 0 HA PHE A 50 71.228 11.299 7.065 1.00 1.00 H new ATOM 0 HB2 PHE A 50 71.543 13.710 7.536 1.00 1.00 H new ATOM 0 HB3 PHE A 50 69.828 14.003 7.326 1.00 1.00 H new ATOM 0 HD1 PHE A 50 72.231 11.937 9.336 1.00 1.00 H new ATOM 0 HD2 PHE A 50 68.352 13.774 9.157 1.00 1.00 H new ATOM 0 HE1 PHE A 50 71.836 11.333 11.709 1.00 1.00 H new ATOM 0 HE2 PHE A 50 67.957 13.170 11.531 1.00 1.00 H new ATOM 0 HZ PHE A 50 69.698 11.948 12.805 1.00 1.00 H new TER 794 PHE A 50