USER MOD reduce.3.24.130724 H: found=0, std=0, add=391, rem=0, adj=11 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 -132:sc= -0.11 (180deg=-0.756) USER MOD Single : A 1 MET N :NH3+ -171:sc= -0.219 (180deg=-0.496) USER MOD Single : A 5 HIS : no HD1:sc= 0 X(o=0,f=-0.035) USER MOD Single : A 6 GLN : amide:sc= 0 X(o=0,f=-0.22) 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 180:sc= -3.25! USER MOD Single : A 29 GLN : amide:sc= 0 K(o=0,f=-1.3!) USER MOD Single : A 32 TYR OH : rot 180:sc= 0 USER MOD Single : A 34 SER OG : rot 93:sc= 1.13 USER MOD Single : A 38 SER OG : rot -11:sc= 0.838 USER MOD Single : A 40 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 42 HIS : no HE2:sc= 0.221 K(o=0.22,f=-1.1) USER MOD Single : A 44 SER OG : rot 180:sc= 0 USER MOD Single : A 48 ASN : amide:sc= -0.0103 K(o=-0.01,f=-1.1) USER MOD ----------------------------------------------------------------- ATOM 1 N MET A 1 4.951 6.659 -31.431 1.00 1.00 N ATOM 2 CA MET A 1 6.160 6.721 -30.570 1.00 1.00 C ATOM 3 C MET A 1 6.383 8.166 -30.139 1.00 1.00 C ATOM 4 O MET A 1 7.206 8.444 -29.270 1.00 1.00 O ATOM 5 CB MET A 1 7.377 6.209 -31.351 1.00 1.00 C ATOM 6 CG MET A 1 7.232 4.706 -31.628 1.00 1.00 C ATOM 7 SD MET A 1 8.706 4.113 -32.502 1.00 1.00 S ATOM 8 CE MET A 1 8.405 4.930 -34.091 1.00 1.00 C ATOM 0 H1 MET A 1 4.700 5.665 -31.606 1.00 1.00 H new ATOM 0 H2 MET A 1 4.160 7.137 -30.954 1.00 1.00 H new ATOM 0 H3 MET A 1 5.145 7.132 -32.337 1.00 1.00 H new ATOM 0 HA MET A 1 6.022 6.095 -29.688 1.00 1.00 H new ATOM 0 HB2 MET A 1 7.470 6.753 -32.291 1.00 1.00 H new ATOM 0 HB3 MET A 1 8.288 6.396 -30.783 1.00 1.00 H new ATOM 0 HG2 MET A 1 7.107 4.162 -30.692 1.00 1.00 H new ATOM 0 HG3 MET A 1 6.340 4.519 -32.227 1.00 1.00 H new ATOM 0 HE1 MET A 1 8.536 4.212 -34.900 1.00 1.00 H new ATOM 0 HE2 MET A 1 7.387 5.319 -34.113 1.00 1.00 H new ATOM 0 HE3 MET A 1 9.110 5.751 -34.217 1.00 1.00 H new ATOM 20 N ALA A 2 5.642 9.082 -30.753 1.00 1.00 N ATOM 21 CA ALA A 2 5.772 10.496 -30.423 1.00 1.00 C ATOM 22 C ALA A 2 5.324 10.759 -28.989 1.00 1.00 C ATOM 23 O ALA A 2 4.356 10.165 -28.512 1.00 1.00 O ATOM 24 CB ALA A 2 4.926 11.336 -31.379 1.00 1.00 C ATOM 0 H ALA A 2 4.952 8.874 -31.475 1.00 1.00 H new ATOM 0 HA ALA A 2 6.821 10.774 -30.522 1.00 1.00 H new ATOM 0 HB1 ALA A 2 5.029 12.391 -31.125 1.00 1.00 H new ATOM 0 HB2 ALA A 2 5.265 11.174 -32.402 1.00 1.00 H new ATOM 0 HB3 ALA A 2 3.880 11.043 -31.292 1.00 1.00 H new ATOM 30 N GLU A 3 6.029 11.660 -28.313 1.00 1.00 N ATOM 31 CA GLU A 3 5.690 12.007 -26.937 1.00 1.00 C ATOM 32 C GLU A 3 5.428 10.741 -26.125 1.00 1.00 C ATOM 33 O GLU A 3 4.587 10.729 -25.225 1.00 1.00 O ATOM 34 CB GLU A 3 4.448 12.907 -26.919 1.00 1.00 C ATOM 35 CG GLU A 3 4.774 14.265 -27.554 1.00 1.00 C ATOM 36 CD GLU A 3 3.506 15.112 -27.630 1.00 1.00 C ATOM 37 OE1 GLU A 3 2.479 14.645 -27.169 1.00 1.00 O ATOM 38 OE2 GLU A 3 3.581 16.215 -28.149 1.00 1.00 O ATOM 0 H GLU A 3 6.833 12.160 -28.692 1.00 1.00 H new ATOM 0 HA GLU A 3 6.527 12.544 -26.491 1.00 1.00 H new ATOM 0 HB2 GLU A 3 3.634 12.428 -27.463 1.00 1.00 H new ATOM 0 HB3 GLU A 3 4.106 13.048 -25.894 1.00 1.00 H new ATOM 0 HG2 GLU A 3 5.533 14.780 -26.965 1.00 1.00 H new ATOM 0 HG3 GLU A 3 5.188 14.121 -28.552 1.00 1.00 H new ATOM 45 N ALA A 4 6.153 9.671 -26.450 1.00 1.00 N ATOM 46 CA ALA A 4 5.986 8.406 -25.740 1.00 1.00 C ATOM 47 C ALA A 4 7.272 7.587 -25.769 1.00 1.00 C ATOM 48 O ALA A 4 8.086 7.717 -26.686 1.00 1.00 O ATOM 49 CB ALA A 4 4.853 7.588 -26.368 1.00 1.00 C ATOM 0 H ALA A 4 6.853 9.655 -27.191 1.00 1.00 H new ATOM 0 HA ALA A 4 5.739 8.638 -24.704 1.00 1.00 H new ATOM 0 HB1 ALA A 4 4.740 6.648 -25.828 1.00 1.00 H new ATOM 0 HB2 ALA A 4 3.922 8.152 -26.312 1.00 1.00 H new ATOM 0 HB3 ALA A 4 5.089 7.381 -27.412 1.00 1.00 H new ATOM 55 N HIS A 5 7.443 6.738 -24.757 1.00 1.00 N ATOM 56 CA HIS A 5 8.631 5.892 -24.666 1.00 1.00 C ATOM 57 C HIS A 5 8.255 4.423 -24.843 1.00 1.00 C ATOM 58 O HIS A 5 7.262 3.959 -24.283 1.00 1.00 O ATOM 59 CB HIS A 5 9.302 6.077 -23.308 1.00 1.00 C ATOM 60 CG HIS A 5 9.807 7.483 -23.193 1.00 1.00 C ATOM 61 ND1 HIS A 5 9.035 8.492 -22.646 1.00 1.00 N ATOM 62 CD2 HIS A 5 10.993 8.070 -23.556 1.00 1.00 C ATOM 63 CE1 HIS A 5 9.755 9.624 -22.692 1.00 1.00 C ATOM 64 NE2 HIS A 5 10.956 9.424 -23.239 1.00 1.00 N ATOM 0 H HIS A 5 6.778 6.618 -23.993 1.00 1.00 H new ATOM 0 HA HIS A 5 9.321 6.184 -25.458 1.00 1.00 H new ATOM 0 HB2 HIS A 5 8.593 5.866 -22.507 1.00 1.00 H new ATOM 0 HB3 HIS A 5 10.126 5.372 -23.198 1.00 1.00 H new ATOM 0 HD2 HIS A 5 11.826 7.560 -24.016 1.00 1.00 H new ATOM 0 HE1 HIS A 5 9.405 10.580 -22.331 1.00 1.00 H new ATOM 0 HE2 HIS A 5 11.690 10.116 -23.392 1.00 1.00 H new ATOM 72 N GLN A 6 9.055 3.696 -25.617 1.00 1.00 N ATOM 73 CA GLN A 6 8.789 2.281 -25.847 1.00 1.00 C ATOM 74 C GLN A 6 8.931 1.491 -24.552 1.00 1.00 C ATOM 75 O GLN A 6 8.139 0.593 -24.274 1.00 1.00 O ATOM 76 CB GLN A 6 9.757 1.732 -26.896 1.00 1.00 C ATOM 77 CG GLN A 6 9.431 2.355 -28.253 1.00 1.00 C ATOM 78 CD GLN A 6 10.431 1.881 -29.299 1.00 1.00 C ATOM 79 OE1 GLN A 6 10.735 0.692 -29.377 1.00 1.00 O ATOM 80 NE2 GLN A 6 10.951 2.749 -30.122 1.00 1.00 N ATOM 0 H GLN A 6 9.883 4.058 -26.090 1.00 1.00 H new ATOM 0 HA GLN A 6 7.766 2.176 -26.209 1.00 1.00 H new ATOM 0 HB2 GLN A 6 10.785 1.960 -26.615 1.00 1.00 H new ATOM 0 HB3 GLN A 6 9.675 0.646 -26.951 1.00 1.00 H new ATOM 0 HG2 GLN A 6 8.420 2.081 -28.554 1.00 1.00 H new ATOM 0 HG3 GLN A 6 9.458 3.442 -28.179 1.00 1.00 H new ATOM 0 HE21 GLN A 6 10.695 3.734 -30.053 1.00 1.00 H new ATOM 0 HE22 GLN A 6 11.613 2.443 -30.835 1.00 1.00 H new ATOM 89 N ALA A 7 9.948 1.831 -23.768 1.00 1.00 N ATOM 90 CA ALA A 7 10.188 1.141 -22.509 1.00 1.00 C ATOM 91 C ALA A 7 10.651 2.116 -21.433 1.00 1.00 C ATOM 92 O ALA A 7 11.340 3.094 -21.722 1.00 1.00 O ATOM 93 CB ALA A 7 11.248 0.059 -22.718 1.00 1.00 C ATOM 0 H ALA A 7 10.614 2.574 -23.981 1.00 1.00 H new ATOM 0 HA ALA A 7 9.255 0.686 -22.178 1.00 1.00 H new ATOM 0 HB1 ALA A 7 11.430 -0.459 -21.776 1.00 1.00 H new ATOM 0 HB2 ALA A 7 10.897 -0.655 -23.463 1.00 1.00 H new ATOM 0 HB3 ALA A 7 12.174 0.519 -23.063 1.00 1.00 H new ATOM 99 N VAL A 8 10.265 1.840 -20.193 1.00 1.00 N ATOM 100 CA VAL A 8 10.642 2.699 -19.076 1.00 1.00 C ATOM 101 C VAL A 8 12.154 2.714 -18.896 1.00 1.00 C ATOM 102 O VAL A 8 12.758 3.772 -18.718 1.00 1.00 O ATOM 103 CB VAL A 8 9.983 2.194 -17.795 1.00 1.00 C ATOM 104 CG1 VAL A 8 10.543 2.950 -16.589 1.00 1.00 C ATOM 105 CG2 VAL A 8 8.480 2.430 -17.887 1.00 1.00 C ATOM 0 H VAL A 8 9.695 1.034 -19.936 1.00 1.00 H new ATOM 0 HA VAL A 8 10.304 3.713 -19.290 1.00 1.00 H new ATOM 0 HB VAL A 8 10.187 1.130 -17.674 1.00 1.00 H new ATOM 0 HG11 VAL A 8 10.068 2.585 -15.678 1.00 1.00 H new ATOM 0 HG12 VAL A 8 11.619 2.790 -16.527 1.00 1.00 H new ATOM 0 HG13 VAL A 8 10.341 4.015 -16.701 1.00 1.00 H new ATOM 0 HG21 VAL A 8 7.999 2.073 -16.976 1.00 1.00 H new ATOM 0 HG22 VAL A 8 8.286 3.496 -18.006 1.00 1.00 H new ATOM 0 HG23 VAL A 8 8.079 1.890 -18.745 1.00 1.00 H new ATOM 115 N GLY A 9 12.758 1.531 -18.944 1.00 1.00 N ATOM 116 CA GLY A 9 14.199 1.407 -18.784 1.00 1.00 C ATOM 117 C GLY A 9 14.557 0.981 -17.364 1.00 1.00 C ATOM 118 O GLY A 9 13.731 1.068 -16.458 1.00 1.00 O ATOM 0 H GLY A 9 12.271 0.647 -19.092 1.00 1.00 H new ATOM 0 HA2 GLY A 9 14.586 0.677 -19.495 1.00 1.00 H new ATOM 0 HA3 GLY A 9 14.677 2.359 -19.013 1.00 1.00 H new ATOM 122 N PHE A 10 15.796 0.522 -17.178 1.00 1.00 N ATOM 123 CA PHE A 10 16.256 0.090 -15.861 1.00 1.00 C ATOM 124 C PHE A 10 16.222 1.246 -14.865 1.00 1.00 C ATOM 125 O PHE A 10 15.778 1.081 -13.728 1.00 1.00 O ATOM 126 CB PHE A 10 17.684 -0.450 -15.970 1.00 1.00 C ATOM 127 CG PHE A 10 17.667 -1.747 -16.743 1.00 1.00 C ATOM 128 CD1 PHE A 10 17.400 -2.955 -16.079 1.00 1.00 C ATOM 129 CD2 PHE A 10 17.902 -1.743 -18.125 1.00 1.00 C ATOM 130 CE1 PHE A 10 17.365 -4.155 -16.799 1.00 1.00 C ATOM 131 CE2 PHE A 10 17.873 -2.946 -18.844 1.00 1.00 C ATOM 132 CZ PHE A 10 17.603 -4.152 -18.179 1.00 1.00 C ATOM 0 H PHE A 10 16.493 0.441 -17.918 1.00 1.00 H new ATOM 0 HA PHE A 10 15.589 -0.694 -15.502 1.00 1.00 H new ATOM 0 HB2 PHE A 10 18.323 0.277 -16.471 1.00 1.00 H new ATOM 0 HB3 PHE A 10 18.102 -0.611 -14.976 1.00 1.00 H new ATOM 0 HD1 PHE A 10 17.222 -2.958 -15.014 1.00 1.00 H new ATOM 0 HD2 PHE A 10 18.105 -0.813 -18.636 1.00 1.00 H new ATOM 0 HE1 PHE A 10 17.154 -5.084 -16.290 1.00 1.00 H new ATOM 0 HE2 PHE A 10 18.058 -2.945 -19.908 1.00 1.00 H new ATOM 0 HZ PHE A 10 17.579 -5.079 -18.732 1.00 1.00 H new ATOM 142 N ARG A 11 16.692 2.413 -15.298 1.00 1.00 N ATOM 143 CA ARG A 11 16.712 3.590 -14.435 1.00 1.00 C ATOM 144 C ARG A 11 17.261 3.232 -13.058 1.00 1.00 C ATOM 145 O ARG A 11 16.520 3.182 -12.076 1.00 1.00 O ATOM 146 CB ARG A 11 15.298 4.157 -14.292 1.00 1.00 C ATOM 147 CG ARG A 11 15.360 5.507 -13.574 1.00 1.00 C ATOM 148 CD ARG A 11 13.957 6.109 -13.471 1.00 1.00 C ATOM 149 NE ARG A 11 13.776 7.125 -14.506 1.00 1.00 N ATOM 150 CZ ARG A 11 12.576 7.627 -14.786 1.00 1.00 C ATOM 151 NH1 ARG A 11 11.531 7.233 -14.114 1.00 1.00 N ATOM 152 NH2 ARG A 11 12.440 8.516 -15.736 1.00 1.00 N ATOM 0 H ARG A 11 17.062 2.568 -16.236 1.00 1.00 H new ATOM 0 HA ARG A 11 17.359 4.341 -14.889 1.00 1.00 H new ATOM 0 HB2 ARG A 11 14.841 4.276 -15.275 1.00 1.00 H new ATOM 0 HB3 ARG A 11 14.671 3.463 -13.731 1.00 1.00 H new ATOM 0 HG2 ARG A 11 15.784 5.379 -12.578 1.00 1.00 H new ATOM 0 HG3 ARG A 11 16.018 6.187 -14.116 1.00 1.00 H new ATOM 0 HD2 ARG A 11 13.207 5.326 -13.582 1.00 1.00 H new ATOM 0 HD3 ARG A 11 13.813 6.551 -12.485 1.00 1.00 H new ATOM 0 HE ARG A 11 14.588 7.457 -15.026 1.00 1.00 H new ATOM 0 HH11 ARG A 11 11.633 6.539 -13.373 1.00 1.00 H new ATOM 0 HH12 ARG A 11 10.611 7.618 -14.329 1.00 1.00 H new ATOM 0 HH21 ARG A 11 13.255 8.826 -16.265 1.00 1.00 H new ATOM 0 HH22 ARG A 11 11.519 8.899 -15.948 1.00 1.00 H new ATOM 166 N PRO A 12 18.538 2.982 -12.973 1.00 1.00 N ATOM 167 CA PRO A 12 19.205 2.621 -11.687 1.00 1.00 C ATOM 168 C PRO A 12 19.109 3.739 -10.647 1.00 1.00 C ATOM 169 O PRO A 12 19.144 4.921 -10.993 1.00 1.00 O ATOM 170 CB PRO A 12 20.666 2.373 -12.065 1.00 1.00 C ATOM 171 CG PRO A 12 20.701 2.262 -13.556 1.00 1.00 C ATOM 172 CD PRO A 12 19.486 3.014 -14.094 1.00 1.00 C ATOM 0 HA PRO A 12 18.728 1.755 -11.229 1.00 1.00 H new ATOM 0 HB2 PRO A 12 21.301 3.190 -11.721 1.00 1.00 H new ATOM 0 HB3 PRO A 12 21.039 1.461 -11.598 1.00 1.00 H new ATOM 0 HG2 PRO A 12 21.623 2.688 -13.952 1.00 1.00 H new ATOM 0 HG3 PRO A 12 20.674 1.217 -13.865 1.00 1.00 H new ATOM 0 HD2 PRO A 12 19.739 4.036 -14.376 1.00 1.00 H new ATOM 0 HD3 PRO A 12 19.075 2.531 -14.981 1.00 1.00 H new ATOM 180 N SER A 13 18.993 3.350 -9.381 1.00 1.00 N ATOM 181 CA SER A 13 18.892 4.315 -8.286 1.00 1.00 C ATOM 182 C SER A 13 19.882 3.976 -7.164 1.00 1.00 C ATOM 183 O SER A 13 20.255 2.816 -6.985 1.00 1.00 O ATOM 184 CB SER A 13 17.466 4.307 -7.733 1.00 1.00 C ATOM 185 OG SER A 13 16.570 4.770 -8.736 1.00 1.00 O ATOM 0 H SER A 13 18.966 2.374 -9.086 1.00 1.00 H new ATOM 0 HA SER A 13 19.136 5.305 -8.671 1.00 1.00 H new ATOM 0 HB2 SER A 13 17.191 3.300 -7.420 1.00 1.00 H new ATOM 0 HB3 SER A 13 17.402 4.944 -6.850 1.00 1.00 H new ATOM 0 HG SER A 13 15.655 4.764 -8.385 1.00 1.00 H new ATOM 191 N LEU A 14 20.305 5.000 -6.416 1.00 1.00 N ATOM 192 CA LEU A 14 21.250 4.807 -5.317 1.00 1.00 C ATOM 193 C LEU A 14 20.550 5.017 -3.972 1.00 1.00 C ATOM 194 O LEU A 14 19.841 6.001 -3.778 1.00 1.00 O ATOM 195 CB LEU A 14 22.404 5.807 -5.452 1.00 1.00 C ATOM 196 CG LEU A 14 23.144 5.568 -6.776 1.00 1.00 C ATOM 197 CD1 LEU A 14 24.220 6.637 -6.966 1.00 1.00 C ATOM 198 CD2 LEU A 14 23.814 4.188 -6.772 1.00 1.00 C ATOM 0 H LEU A 14 20.008 5.966 -6.552 1.00 1.00 H new ATOM 0 HA LEU A 14 21.637 3.789 -5.360 1.00 1.00 H new ATOM 0 HB2 LEU A 14 22.020 6.827 -5.418 1.00 1.00 H new ATOM 0 HB3 LEU A 14 23.093 5.697 -4.614 1.00 1.00 H new ATOM 0 HG LEU A 14 22.420 5.617 -7.590 1.00 1.00 H new ATOM 0 HD11 LEU A 14 24.743 6.464 -7.907 1.00 1.00 H new ATOM 0 HD12 LEU A 14 23.754 7.622 -6.986 1.00 1.00 H new ATOM 0 HD13 LEU A 14 24.931 6.588 -6.141 1.00 1.00 H new ATOM 0 HD21 LEU A 14 24.334 4.033 -7.717 1.00 1.00 H new ATOM 0 HD22 LEU A 14 24.529 4.133 -5.951 1.00 1.00 H new ATOM 0 HD23 LEU A 14 23.055 3.416 -6.645 1.00 1.00 H new ATOM 210 N THR A 15 20.750 4.082 -3.048 1.00 1.00 N ATOM 211 CA THR A 15 20.128 4.177 -1.731 1.00 1.00 C ATOM 212 C THR A 15 20.734 5.309 -0.913 1.00 1.00 C ATOM 213 O THR A 15 21.951 5.502 -0.901 1.00 1.00 O ATOM 214 CB THR A 15 20.300 2.856 -0.995 1.00 1.00 C ATOM 215 OG1 THR A 15 21.680 2.512 -0.959 1.00 1.00 O ATOM 216 CG2 THR A 15 19.512 1.790 -1.747 1.00 1.00 C ATOM 0 H THR A 15 21.333 3.256 -3.185 1.00 1.00 H new ATOM 0 HA THR A 15 19.068 4.391 -1.865 1.00 1.00 H new ATOM 0 HB THR A 15 19.934 2.935 0.029 1.00 1.00 H new ATOM 0 HG1 THR A 15 21.793 1.662 -0.484 1.00 1.00 H new ATOM 0 HG21 THR A 15 19.619 0.832 -1.239 1.00 1.00 H new ATOM 0 HG22 THR A 15 18.459 2.069 -1.777 1.00 1.00 H new ATOM 0 HG23 THR A 15 19.894 1.706 -2.765 1.00 1.00 H new ATOM 224 N SER A 16 19.880 6.061 -0.231 1.00 1.00 N ATOM 225 CA SER A 16 20.344 7.176 0.579 1.00 1.00 C ATOM 226 C SER A 16 21.175 6.682 1.764 1.00 1.00 C ATOM 227 O SER A 16 22.153 7.317 2.155 1.00 1.00 O ATOM 228 CB SER A 16 19.156 7.988 1.089 1.00 1.00 C ATOM 229 OG SER A 16 18.311 7.145 1.857 1.00 1.00 O ATOM 0 H SER A 16 18.870 5.920 -0.223 1.00 1.00 H new ATOM 0 HA SER A 16 20.973 7.809 -0.047 1.00 1.00 H new ATOM 0 HB2 SER A 16 19.505 8.824 1.696 1.00 1.00 H new ATOM 0 HB3 SER A 16 18.603 8.412 0.251 1.00 1.00 H new ATOM 0 HG SER A 16 17.547 7.662 2.189 1.00 1.00 H new ATOM 235 N ASP A 17 20.782 5.549 2.336 1.00 1.00 N ATOM 236 CA ASP A 17 21.508 4.996 3.474 1.00 1.00 C ATOM 237 C ASP A 17 22.516 3.942 3.028 1.00 1.00 C ATOM 238 O ASP A 17 22.134 2.845 2.621 1.00 1.00 O ATOM 239 CB ASP A 17 20.526 4.371 4.460 1.00 1.00 C ATOM 240 CG ASP A 17 21.256 4.027 5.750 1.00 1.00 C ATOM 241 OD1 ASP A 17 22.469 4.156 5.766 1.00 1.00 O ATOM 242 OD2 ASP A 17 20.596 3.643 6.699 1.00 1.00 O ATOM 0 H ASP A 17 19.976 5.001 2.036 1.00 1.00 H new ATOM 0 HA ASP A 17 22.050 5.810 3.955 1.00 1.00 H new ATOM 0 HB2 ASP A 17 19.709 5.063 4.665 1.00 1.00 H new ATOM 0 HB3 ASP A 17 20.083 3.473 4.029 1.00 1.00 H new ATOM 247 N GLY A 18 23.805 4.280 3.109 1.00 1.00 N ATOM 248 CA GLY A 18 24.859 3.353 2.710 1.00 1.00 C ATOM 249 C GLY A 18 25.896 3.174 3.814 1.00 1.00 C ATOM 250 O GLY A 18 26.290 4.134 4.477 1.00 1.00 O ATOM 0 H GLY A 18 24.140 5.183 3.445 1.00 1.00 H new ATOM 0 HA2 GLY A 18 24.420 2.387 2.462 1.00 1.00 H new ATOM 0 HA3 GLY A 18 25.347 3.722 1.808 1.00 1.00 H new ATOM 254 N ALA A 19 26.331 1.936 4.000 1.00 1.00 N ATOM 255 CA ALA A 19 27.321 1.620 5.018 1.00 1.00 C ATOM 256 C ALA A 19 28.735 1.963 4.533 1.00 1.00 C ATOM 257 O ALA A 19 29.689 1.950 5.312 1.00 1.00 O ATOM 258 CB ALA A 19 27.236 0.131 5.370 1.00 1.00 C ATOM 0 H ALA A 19 26.013 1.133 3.458 1.00 1.00 H new ATOM 0 HA ALA A 19 27.111 2.218 5.905 1.00 1.00 H new ATOM 0 HB1 ALA A 19 27.978 -0.105 6.133 1.00 1.00 H new ATOM 0 HB2 ALA A 19 26.240 -0.097 5.750 1.00 1.00 H new ATOM 0 HB3 ALA A 19 27.430 -0.465 4.478 1.00 1.00 H new ATOM 264 N GLU A 20 28.858 2.263 3.241 1.00 1.00 N ATOM 265 CA GLU A 20 30.160 2.600 2.657 1.00 1.00 C ATOM 266 C GLU A 20 30.732 3.877 3.267 1.00 1.00 C ATOM 267 O GLU A 20 31.934 3.972 3.510 1.00 1.00 O ATOM 268 CB GLU A 20 30.019 2.780 1.145 1.00 1.00 C ATOM 269 CG GLU A 20 29.720 1.428 0.486 1.00 1.00 C ATOM 270 CD GLU A 20 29.480 1.617 -1.007 1.00 1.00 C ATOM 271 OE1 GLU A 20 29.585 2.742 -1.467 1.00 1.00 O ATOM 272 OE2 GLU A 20 29.193 0.634 -1.671 1.00 1.00 O ATOM 0 H GLU A 20 28.080 2.280 2.581 1.00 1.00 H new ATOM 0 HA GLU A 20 30.845 1.780 2.873 1.00 1.00 H new ATOM 0 HB2 GLU A 20 29.218 3.486 0.927 1.00 1.00 H new ATOM 0 HB3 GLU A 20 30.936 3.201 0.733 1.00 1.00 H new ATOM 0 HG2 GLU A 20 30.554 0.744 0.645 1.00 1.00 H new ATOM 0 HG3 GLU A 20 28.844 0.974 0.949 1.00 1.00 H new ATOM 279 N VAL A 21 29.870 4.862 3.492 1.00 1.00 N ATOM 280 CA VAL A 21 30.303 6.134 4.063 1.00 1.00 C ATOM 281 C VAL A 21 30.753 5.969 5.525 1.00 1.00 C ATOM 282 O VAL A 21 31.727 6.586 5.961 1.00 1.00 O ATOM 283 CB VAL A 21 29.159 7.154 3.973 1.00 1.00 C ATOM 284 CG1 VAL A 21 28.648 7.220 2.527 1.00 1.00 C ATOM 285 CG2 VAL A 21 28.013 6.725 4.887 1.00 1.00 C ATOM 0 H VAL A 21 28.872 4.806 3.289 1.00 1.00 H new ATOM 0 HA VAL A 21 31.159 6.493 3.491 1.00 1.00 H new ATOM 0 HB VAL A 21 29.526 8.133 4.282 1.00 1.00 H new ATOM 0 HG11 VAL A 21 27.836 7.944 2.461 1.00 1.00 H new ATOM 0 HG12 VAL A 21 29.460 7.525 1.868 1.00 1.00 H new ATOM 0 HG13 VAL A 21 28.285 6.238 2.224 1.00 1.00 H new ATOM 0 HG21 VAL A 21 27.203 7.451 4.820 1.00 1.00 H new ATOM 0 HG22 VAL A 21 27.648 5.745 4.578 1.00 1.00 H new ATOM 0 HG23 VAL A 21 28.369 6.672 5.916 1.00 1.00 H new ATOM 295 N GLU A 22 30.018 5.161 6.284 1.00 1.00 N ATOM 296 CA GLU A 22 30.329 4.949 7.700 1.00 1.00 C ATOM 297 C GLU A 22 31.621 4.154 7.921 1.00 1.00 C ATOM 298 O GLU A 22 32.358 4.419 8.871 1.00 1.00 O ATOM 299 CB GLU A 22 29.178 4.215 8.381 1.00 1.00 C ATOM 300 CG GLU A 22 27.951 5.122 8.432 1.00 1.00 C ATOM 301 CD GLU A 22 26.783 4.365 9.046 1.00 1.00 C ATOM 302 OE1 GLU A 22 26.981 3.225 9.434 1.00 1.00 O ATOM 303 OE2 GLU A 22 25.709 4.935 9.121 1.00 1.00 O ATOM 0 H GLU A 22 29.206 4.643 5.947 1.00 1.00 H new ATOM 0 HA GLU A 22 30.472 5.938 8.135 1.00 1.00 H new ATOM 0 HB2 GLU A 22 28.944 3.300 7.837 1.00 1.00 H new ATOM 0 HB3 GLU A 22 29.467 3.921 9.390 1.00 1.00 H new ATOM 0 HG2 GLU A 22 28.169 6.013 9.020 1.00 1.00 H new ATOM 0 HG3 GLU A 22 27.692 5.458 7.428 1.00 1.00 H new ATOM 310 N LEU A 23 31.874 3.164 7.066 1.00 1.00 N ATOM 311 CA LEU A 23 33.062 2.322 7.207 1.00 1.00 C ATOM 312 C LEU A 23 33.873 2.323 5.920 1.00 1.00 C ATOM 313 O LEU A 23 33.410 2.811 4.892 1.00 1.00 O ATOM 314 CB LEU A 23 32.644 0.888 7.547 1.00 1.00 C ATOM 315 CG LEU A 23 31.885 0.879 8.877 1.00 1.00 C ATOM 316 CD1 LEU A 23 31.390 -0.530 9.183 1.00 1.00 C ATOM 317 CD2 LEU A 23 32.802 1.350 10.012 1.00 1.00 C ATOM 0 H LEU A 23 31.277 2.926 6.274 1.00 1.00 H new ATOM 0 HA LEU A 23 33.678 2.724 8.011 1.00 1.00 H new ATOM 0 HB2 LEU A 23 32.015 0.484 6.754 1.00 1.00 H new ATOM 0 HB3 LEU A 23 33.524 0.248 7.614 1.00 1.00 H new ATOM 0 HG LEU A 23 31.034 1.555 8.797 1.00 1.00 H new ATOM 0 HD11 LEU A 23 30.851 -0.529 10.130 1.00 1.00 H new ATOM 0 HD12 LEU A 23 30.724 -0.862 8.387 1.00 1.00 H new ATOM 0 HD13 LEU A 23 32.241 -1.208 9.251 1.00 1.00 H new ATOM 0 HD21 LEU A 23 32.251 1.339 10.953 1.00 1.00 H new ATOM 0 HD22 LEU A 23 33.661 0.683 10.087 1.00 1.00 H new ATOM 0 HD23 LEU A 23 33.147 2.363 9.805 1.00 1.00 H new ATOM 329 N SER A 24 35.089 1.780 5.981 1.00 1.00 N ATOM 330 CA SER A 24 35.950 1.742 4.793 1.00 1.00 C ATOM 331 C SER A 24 37.404 1.435 5.177 1.00 1.00 C ATOM 332 O SER A 24 38.335 1.711 4.423 1.00 1.00 O ATOM 333 CB SER A 24 35.865 3.089 4.039 1.00 1.00 C ATOM 334 OG SER A 24 37.150 3.479 3.571 1.00 1.00 O ATOM 0 H SER A 24 35.496 1.368 6.820 1.00 1.00 H new ATOM 0 HA SER A 24 35.600 0.944 4.138 1.00 1.00 H new ATOM 0 HB2 SER A 24 35.177 2.999 3.198 1.00 1.00 H new ATOM 0 HB3 SER A 24 35.463 3.858 4.699 1.00 1.00 H new ATOM 0 HG SER A 24 37.080 4.333 3.095 1.00 1.00 H new ATOM 340 N ALA A 25 37.598 0.888 6.368 1.00 1.00 N ATOM 341 CA ALA A 25 38.945 0.586 6.847 1.00 1.00 C ATOM 342 C ALA A 25 39.763 -0.212 5.828 1.00 1.00 C ATOM 343 O ALA A 25 40.907 0.141 5.543 1.00 1.00 O ATOM 344 CB ALA A 25 38.864 -0.188 8.164 1.00 1.00 C ATOM 0 H ALA A 25 36.850 0.645 7.017 1.00 1.00 H new ATOM 0 HA ALA A 25 39.456 1.537 7.000 1.00 1.00 H new ATOM 0 HB1 ALA A 25 39.871 -0.411 8.517 1.00 1.00 H new ATOM 0 HB2 ALA A 25 38.343 0.414 8.908 1.00 1.00 H new ATOM 0 HB3 ALA A 25 38.320 -1.119 8.006 1.00 1.00 H new ATOM 350 N PRO A 26 39.225 -1.277 5.295 1.00 1.00 N ATOM 351 CA PRO A 26 39.962 -2.127 4.310 1.00 1.00 C ATOM 352 C PRO A 26 40.520 -1.334 3.127 1.00 1.00 C ATOM 353 O PRO A 26 41.679 -1.522 2.747 1.00 1.00 O ATOM 354 CB PRO A 26 38.903 -3.131 3.837 1.00 1.00 C ATOM 355 CG PRO A 26 37.890 -3.182 4.929 1.00 1.00 C ATOM 356 CD PRO A 26 37.875 -1.796 5.565 1.00 1.00 C ATOM 0 HA PRO A 26 40.839 -2.590 4.763 1.00 1.00 H new ATOM 0 HB2 PRO A 26 38.452 -2.813 2.897 1.00 1.00 H new ATOM 0 HB3 PRO A 26 39.343 -4.113 3.663 1.00 1.00 H new ATOM 0 HG2 PRO A 26 36.907 -3.440 4.535 1.00 1.00 H new ATOM 0 HG3 PRO A 26 38.149 -3.944 5.664 1.00 1.00 H new ATOM 0 HD2 PRO A 26 37.106 -1.161 5.125 1.00 1.00 H new ATOM 0 HD3 PRO A 26 37.672 -1.848 6.635 1.00 1.00 H new ATOM 364 N VAL A 27 39.717 -0.431 2.561 1.00 1.00 N ATOM 365 CA VAL A 27 40.194 0.385 1.438 1.00 1.00 C ATOM 366 C VAL A 27 41.220 1.411 1.922 1.00 1.00 C ATOM 367 O VAL A 27 42.179 1.720 1.218 1.00 1.00 O ATOM 368 CB VAL A 27 39.038 1.090 0.703 1.00 1.00 C ATOM 369 CG1 VAL A 27 38.122 0.041 0.077 1.00 1.00 C ATOM 370 CG2 VAL A 27 38.219 1.952 1.663 1.00 1.00 C ATOM 0 H VAL A 27 38.757 -0.247 2.851 1.00 1.00 H new ATOM 0 HA VAL A 27 40.670 -0.289 0.726 1.00 1.00 H new ATOM 0 HB VAL A 27 39.465 1.733 -0.067 1.00 1.00 H new ATOM 0 HG11 VAL A 27 37.303 0.537 -0.444 1.00 1.00 H new ATOM 0 HG12 VAL A 27 38.690 -0.562 -0.631 1.00 1.00 H new ATOM 0 HG13 VAL A 27 37.718 -0.602 0.859 1.00 1.00 H new ATOM 0 HG21 VAL A 27 37.410 2.437 1.117 1.00 1.00 H new ATOM 0 HG22 VAL A 27 37.800 1.324 2.449 1.00 1.00 H new ATOM 0 HG23 VAL A 27 38.862 2.711 2.109 1.00 1.00 H new ATOM 380 N LEU A 28 41.013 1.930 3.124 1.00 1.00 N ATOM 381 CA LEU A 28 41.931 2.918 3.689 1.00 1.00 C ATOM 382 C LEU A 28 43.323 2.308 3.875 1.00 1.00 C ATOM 383 O LEU A 28 44.337 2.952 3.604 1.00 1.00 O ATOM 384 CB LEU A 28 41.399 3.432 5.032 1.00 1.00 C ATOM 385 CG LEU A 28 40.161 4.311 4.795 1.00 1.00 C ATOM 386 CD1 LEU A 28 39.483 4.614 6.133 1.00 1.00 C ATOM 387 CD2 LEU A 28 40.563 5.627 4.107 1.00 1.00 C ATOM 0 H LEU A 28 40.225 1.688 3.725 1.00 1.00 H new ATOM 0 HA LEU A 28 42.005 3.756 2.996 1.00 1.00 H new ATOM 0 HB2 LEU A 28 41.143 2.592 5.678 1.00 1.00 H new ATOM 0 HB3 LEU A 28 42.171 4.005 5.545 1.00 1.00 H new ATOM 0 HG LEU A 28 39.467 3.775 4.148 1.00 1.00 H new ATOM 0 HD11 LEU A 28 38.605 5.237 5.963 1.00 1.00 H new ATOM 0 HD12 LEU A 28 39.179 3.680 6.606 1.00 1.00 H new ATOM 0 HD13 LEU A 28 40.181 5.140 6.784 1.00 1.00 H new ATOM 0 HD21 LEU A 28 39.676 6.239 3.946 1.00 1.00 H new ATOM 0 HD22 LEU A 28 41.267 6.168 4.739 1.00 1.00 H new ATOM 0 HD23 LEU A 28 41.032 5.408 3.148 1.00 1.00 H new ATOM 399 N GLN A 29 43.361 1.062 4.339 1.00 1.00 N ATOM 400 CA GLN A 29 44.636 0.373 4.556 1.00 1.00 C ATOM 401 C GLN A 29 45.383 0.187 3.242 1.00 1.00 C ATOM 402 O GLN A 29 46.601 0.367 3.187 1.00 1.00 O ATOM 403 CB GLN A 29 44.401 -0.998 5.194 1.00 1.00 C ATOM 404 CG GLN A 29 43.909 -0.832 6.631 1.00 1.00 C ATOM 405 CD GLN A 29 43.621 -2.200 7.240 1.00 1.00 C ATOM 406 OE1 GLN A 29 43.878 -3.226 6.608 1.00 1.00 O ATOM 407 NE2 GLN A 29 43.097 -2.283 8.432 1.00 1.00 N ATOM 0 H GLN A 29 42.535 0.511 4.571 1.00 1.00 H new ATOM 0 HA GLN A 29 45.236 0.990 5.225 1.00 1.00 H new ATOM 0 HB2 GLN A 29 43.668 -1.557 4.613 1.00 1.00 H new ATOM 0 HB3 GLN A 29 45.325 -1.576 5.182 1.00 1.00 H new ATOM 0 HG2 GLN A 29 44.660 -0.311 7.224 1.00 1.00 H new ATOM 0 HG3 GLN A 29 43.008 -0.219 6.648 1.00 1.00 H new ATOM 0 HE21 GLN A 29 42.884 -1.434 8.956 1.00 1.00 H new ATOM 0 HE22 GLN A 29 42.900 -3.197 8.840 1.00 1.00 H new ATOM 416 N GLU A 30 44.662 -0.160 2.187 1.00 1.00 N ATOM 417 CA GLU A 30 45.297 -0.343 0.888 1.00 1.00 C ATOM 418 C GLU A 30 45.813 1.001 0.380 1.00 1.00 C ATOM 419 O GLU A 30 46.916 1.074 -0.161 1.00 1.00 O ATOM 420 CB GLU A 30 44.301 -0.925 -0.113 1.00 1.00 C ATOM 421 CG GLU A 30 45.003 -1.169 -1.451 1.00 1.00 C ATOM 422 CD GLU A 30 44.027 -1.790 -2.436 1.00 1.00 C ATOM 423 OE1 GLU A 30 42.981 -2.237 -1.996 1.00 1.00 O ATOM 424 OE2 GLU A 30 44.338 -1.818 -3.615 1.00 1.00 O ATOM 0 H GLU A 30 43.654 -0.319 2.201 1.00 1.00 H new ATOM 0 HA GLU A 30 46.130 -1.037 0.996 1.00 1.00 H new ATOM 0 HB2 GLU A 30 43.889 -1.859 0.269 1.00 1.00 H new ATOM 0 HB3 GLU A 30 43.464 -0.240 -0.249 1.00 1.00 H new ATOM 0 HG2 GLU A 30 45.387 -0.229 -1.848 1.00 1.00 H new ATOM 0 HG3 GLU A 30 45.859 -1.828 -1.308 1.00 1.00 H new ATOM 431 N ILE A 31 45.037 2.066 0.570 1.00 1.00 N ATOM 432 CA ILE A 31 45.483 3.389 0.131 1.00 1.00 C ATOM 433 C ILE A 31 46.720 3.814 0.915 1.00 1.00 C ATOM 434 O ILE A 31 47.678 4.330 0.342 1.00 1.00 O ATOM 435 CB ILE A 31 44.380 4.431 0.336 1.00 1.00 C ATOM 436 CG1 ILE A 31 43.205 4.162 -0.618 1.00 1.00 C ATOM 437 CG2 ILE A 31 44.948 5.834 0.104 1.00 1.00 C ATOM 438 CD1 ILE A 31 43.632 4.266 -2.095 1.00 1.00 C ATOM 0 H ILE A 31 44.119 2.044 1.013 1.00 1.00 H new ATOM 0 HA ILE A 31 45.723 3.327 -0.931 1.00 1.00 H new ATOM 0 HB ILE A 31 44.011 4.362 1.359 1.00 1.00 H new ATOM 0 HG12 ILE A 31 42.801 3.168 -0.426 1.00 1.00 H new ATOM 0 HG13 ILE A 31 42.405 4.875 -0.420 1.00 1.00 H new ATOM 0 HG21 ILE A 31 44.161 6.574 0.250 1.00 1.00 H new ATOM 0 HG22 ILE A 31 45.757 6.020 0.810 1.00 1.00 H new ATOM 0 HG23 ILE A 31 45.331 5.908 -0.914 1.00 1.00 H new ATOM 0 HD11 ILE A 31 42.773 4.069 -2.737 1.00 1.00 H new ATOM 0 HD12 ILE A 31 44.012 5.268 -2.294 1.00 1.00 H new ATOM 0 HD13 ILE A 31 44.413 3.534 -2.300 1.00 1.00 H new ATOM 450 N TYR A 32 46.704 3.593 2.220 1.00 1.00 N ATOM 451 CA TYR A 32 47.837 3.959 3.059 1.00 1.00 C ATOM 452 C TYR A 32 49.091 3.206 2.630 1.00 1.00 C ATOM 453 O TYR A 32 50.167 3.787 2.507 1.00 1.00 O ATOM 454 CB TYR A 32 47.522 3.615 4.509 1.00 1.00 C ATOM 455 CG TYR A 32 48.728 3.891 5.372 1.00 1.00 C ATOM 456 CD1 TYR A 32 49.028 5.202 5.761 1.00 1.00 C ATOM 457 CD2 TYR A 32 49.542 2.833 5.796 1.00 1.00 C ATOM 458 CE1 TYR A 32 50.140 5.454 6.571 1.00 1.00 C ATOM 459 CE2 TYR A 32 50.652 3.082 6.609 1.00 1.00 C ATOM 460 CZ TYR A 32 50.950 4.396 6.998 1.00 1.00 C ATOM 461 OH TYR A 32 52.044 4.644 7.801 1.00 1.00 O ATOM 0 H TYR A 32 45.925 3.165 2.720 1.00 1.00 H new ATOM 0 HA TYR A 32 48.016 5.029 2.955 1.00 1.00 H new ATOM 0 HB2 TYR A 32 46.673 4.203 4.856 1.00 1.00 H new ATOM 0 HB3 TYR A 32 47.237 2.566 4.590 1.00 1.00 H new ATOM 0 HD1 TYR A 32 48.401 6.019 5.436 1.00 1.00 H new ATOM 0 HD2 TYR A 32 49.312 1.822 5.494 1.00 1.00 H new ATOM 0 HE1 TYR A 32 50.374 6.466 6.867 1.00 1.00 H new ATOM 0 HE2 TYR A 32 51.278 2.265 6.936 1.00 1.00 H new ATOM 0 HH TYR A 32 52.497 3.800 8.007 1.00 1.00 H new ATOM 471 N LEU A 33 48.947 1.913 2.413 1.00 1.00 N ATOM 472 CA LEU A 33 50.089 1.097 2.002 1.00 1.00 C ATOM 473 C LEU A 33 50.611 1.557 0.641 1.00 1.00 C ATOM 474 O LEU A 33 51.820 1.686 0.430 1.00 1.00 O ATOM 475 CB LEU A 33 49.671 -0.375 1.931 1.00 1.00 C ATOM 476 CG LEU A 33 50.861 -1.255 1.525 1.00 1.00 C ATOM 477 CD1 LEU A 33 51.985 -1.115 2.555 1.00 1.00 C ATOM 478 CD2 LEU A 33 50.406 -2.718 1.469 1.00 1.00 C ATOM 0 H LEU A 33 48.068 1.405 2.511 1.00 1.00 H new ATOM 0 HA LEU A 33 50.886 1.211 2.736 1.00 1.00 H new ATOM 0 HB2 LEU A 33 49.287 -0.697 2.899 1.00 1.00 H new ATOM 0 HB3 LEU A 33 48.861 -0.494 1.211 1.00 1.00 H new ATOM 0 HG LEU A 33 51.228 -0.941 0.548 1.00 1.00 H new ATOM 0 HD11 LEU A 33 52.827 -1.742 2.262 1.00 1.00 H new ATOM 0 HD12 LEU A 33 52.307 -0.075 2.604 1.00 1.00 H new ATOM 0 HD13 LEU A 33 51.623 -1.429 3.534 1.00 1.00 H new ATOM 0 HD21 LEU A 33 51.246 -3.350 1.181 1.00 1.00 H new ATOM 0 HD22 LEU A 33 50.042 -3.024 2.450 1.00 1.00 H new ATOM 0 HD23 LEU A 33 49.606 -2.822 0.736 1.00 1.00 H new ATOM 490 N SER A 34 49.688 1.826 -0.274 1.00 1.00 N ATOM 491 CA SER A 34 50.056 2.291 -1.604 1.00 1.00 C ATOM 492 C SER A 34 50.793 3.623 -1.509 1.00 1.00 C ATOM 493 O SER A 34 51.747 3.873 -2.245 1.00 1.00 O ATOM 494 CB SER A 34 48.812 2.470 -2.467 1.00 1.00 C ATOM 495 OG SER A 34 48.044 1.274 -2.431 1.00 1.00 O ATOM 0 H SER A 34 48.684 1.731 -0.120 1.00 1.00 H new ATOM 0 HA SER A 34 50.707 1.545 -2.059 1.00 1.00 H new ATOM 0 HB2 SER A 34 48.219 3.309 -2.102 1.00 1.00 H new ATOM 0 HB3 SER A 34 49.097 2.703 -3.493 1.00 1.00 H new ATOM 0 HG SER A 34 47.373 1.337 -1.719 1.00 1.00 H new ATOM 501 N GLY A 35 50.331 4.489 -0.613 1.00 1.00 N ATOM 502 CA GLY A 35 50.942 5.798 -0.447 1.00 1.00 C ATOM 503 C GLY A 35 52.393 5.692 0.018 1.00 1.00 C ATOM 504 O GLY A 35 53.245 6.441 -0.452 1.00 1.00 O ATOM 0 H GLY A 35 49.540 4.307 0.005 1.00 1.00 H new ATOM 0 HA2 GLY A 35 50.902 6.340 -1.392 1.00 1.00 H new ATOM 0 HA3 GLY A 35 50.370 6.377 0.278 1.00 1.00 H new ATOM 508 N LEU A 36 52.687 4.780 0.933 1.00 1.00 N ATOM 509 CA LEU A 36 54.058 4.638 1.421 1.00 1.00 C ATOM 510 C LEU A 36 55.008 4.252 0.288 1.00 1.00 C ATOM 511 O LEU A 36 56.119 4.778 0.205 1.00 1.00 O ATOM 512 CB LEU A 36 54.148 3.586 2.551 1.00 1.00 C ATOM 513 CG LEU A 36 53.839 4.197 3.925 1.00 1.00 C ATOM 514 CD1 LEU A 36 52.359 4.582 4.047 1.00 1.00 C ATOM 515 CD2 LEU A 36 54.184 3.162 5.010 1.00 1.00 C ATOM 0 H LEU A 36 52.013 4.137 1.348 1.00 1.00 H new ATOM 0 HA LEU A 36 54.357 5.607 1.820 1.00 1.00 H new ATOM 0 HB2 LEU A 36 53.449 2.775 2.349 1.00 1.00 H new ATOM 0 HB3 LEU A 36 55.147 3.150 2.563 1.00 1.00 H new ATOM 0 HG LEU A 36 54.434 5.102 4.047 1.00 1.00 H new ATOM 0 HD11 LEU A 36 52.175 5.011 5.032 1.00 1.00 H new ATOM 0 HD12 LEU A 36 52.109 5.314 3.279 1.00 1.00 H new ATOM 0 HD13 LEU A 36 51.740 3.694 3.917 1.00 1.00 H new ATOM 0 HD21 LEU A 36 53.970 3.581 5.993 1.00 1.00 H new ATOM 0 HD22 LEU A 36 53.585 2.264 4.860 1.00 1.00 H new ATOM 0 HD23 LEU A 36 55.242 2.907 4.946 1.00 1.00 H new ATOM 527 N ARG A 37 54.585 3.347 -0.591 1.00 1.00 N ATOM 528 CA ARG A 37 55.451 2.940 -1.698 1.00 1.00 C ATOM 529 C ARG A 37 55.741 4.125 -2.625 1.00 1.00 C ATOM 530 O ARG A 37 56.874 4.298 -3.078 1.00 1.00 O ATOM 531 CB ARG A 37 54.798 1.818 -2.509 1.00 1.00 C ATOM 532 CG ARG A 37 54.788 0.514 -1.698 1.00 1.00 C ATOM 533 CD ARG A 37 54.082 -0.577 -2.501 1.00 1.00 C ATOM 534 NE ARG A 37 54.068 -1.821 -1.752 1.00 1.00 N ATOM 535 CZ ARG A 37 53.392 -2.876 -2.193 1.00 1.00 C ATOM 536 NH1 ARG A 37 52.705 -2.798 -3.301 1.00 1.00 N ATOM 537 NH2 ARG A 37 53.412 -3.990 -1.518 1.00 1.00 N ATOM 0 H ARG A 37 53.673 2.891 -0.563 1.00 1.00 H new ATOM 0 HA ARG A 37 56.387 2.580 -1.271 1.00 1.00 H new ATOM 0 HB2 ARG A 37 53.778 2.097 -2.775 1.00 1.00 H new ATOM 0 HB3 ARG A 37 55.341 1.670 -3.442 1.00 1.00 H new ATOM 0 HG2 ARG A 37 55.809 0.208 -1.467 1.00 1.00 H new ATOM 0 HG3 ARG A 37 54.279 0.668 -0.747 1.00 1.00 H new ATOM 0 HD2 ARG A 37 53.061 -0.269 -2.728 1.00 1.00 H new ATOM 0 HD3 ARG A 37 54.590 -0.724 -3.454 1.00 1.00 H new ATOM 0 HE ARG A 37 54.585 -1.886 -0.875 1.00 1.00 H new ATOM 0 HH11 ARG A 37 52.687 -1.926 -3.829 1.00 1.00 H new ATOM 0 HH12 ARG A 37 52.187 -3.609 -3.638 1.00 1.00 H new ATOM 0 HH21 ARG A 37 53.946 -4.052 -0.651 1.00 1.00 H new ATOM 0 HH22 ARG A 37 52.893 -4.801 -1.856 1.00 1.00 H new ATOM 551 N SER A 38 54.723 4.944 -2.876 1.00 1.00 N ATOM 552 CA SER A 38 54.881 6.136 -3.716 1.00 1.00 C ATOM 553 C SER A 38 55.691 7.215 -2.989 1.00 1.00 C ATOM 554 O SER A 38 56.472 7.947 -3.598 1.00 1.00 O ATOM 555 CB SER A 38 53.509 6.678 -4.120 1.00 1.00 C ATOM 556 OG SER A 38 52.738 6.940 -2.953 1.00 1.00 O ATOM 0 H SER A 38 53.780 4.808 -2.512 1.00 1.00 H new ATOM 0 HA SER A 38 55.428 5.854 -4.615 1.00 1.00 H new ATOM 0 HB2 SER A 38 53.625 7.591 -4.704 1.00 1.00 H new ATOM 0 HB3 SER A 38 52.994 5.957 -4.754 1.00 1.00 H new ATOM 0 HG SER A 38 53.184 6.551 -2.172 1.00 1.00 H new ATOM 562 N TRP A 39 55.495 7.305 -1.677 1.00 1.00 N ATOM 563 CA TRP A 39 56.198 8.291 -0.860 1.00 1.00 C ATOM 564 C TRP A 39 57.711 8.118 -0.944 1.00 1.00 C ATOM 565 O TRP A 39 58.461 9.087 -0.852 1.00 1.00 O ATOM 566 CB TRP A 39 55.748 8.176 0.600 1.00 1.00 C ATOM 567 CG TRP A 39 54.302 8.579 0.756 1.00 1.00 C ATOM 568 CD1 TRP A 39 53.477 9.029 -0.230 1.00 1.00 C ATOM 569 CD2 TRP A 39 53.497 8.580 1.973 1.00 1.00 C ATOM 570 NE1 TRP A 39 52.234 9.296 0.312 1.00 1.00 N ATOM 571 CE2 TRP A 39 52.195 9.044 1.662 1.00 1.00 C ATOM 572 CE3 TRP A 39 53.774 8.232 3.304 1.00 1.00 C ATOM 573 CZ2 TRP A 39 51.202 9.150 2.638 1.00 1.00 C ATOM 574 CZ3 TRP A 39 52.777 8.336 4.289 1.00 1.00 C ATOM 575 CH2 TRP A 39 51.494 8.798 3.959 1.00 1.00 C ATOM 0 H TRP A 39 54.854 6.707 -1.155 1.00 1.00 H new ATOM 0 HA TRP A 39 55.950 9.279 -1.247 1.00 1.00 H new ATOM 0 HB2 TRP A 39 55.882 7.151 0.946 1.00 1.00 H new ATOM 0 HB3 TRP A 39 56.375 8.809 1.228 1.00 1.00 H new ATOM 0 HD1 TRP A 39 53.750 9.156 -1.267 1.00 1.00 H new ATOM 0 HE1 TRP A 39 51.439 9.640 -0.227 1.00 1.00 H new ATOM 0 HE3 TRP A 39 54.760 7.882 3.573 1.00 1.00 H new ATOM 0 HZ2 TRP A 39 50.215 9.501 2.374 1.00 1.00 H new ATOM 0 HZ3 TRP A 39 53.000 8.058 5.308 1.00 1.00 H new ATOM 0 HH2 TRP A 39 50.735 8.881 4.723 1.00 1.00 H new ATOM 586 N LYS A 40 58.174 6.884 -1.091 1.00 1.00 N ATOM 587 CA LYS A 40 59.603 6.651 -1.150 1.00 1.00 C ATOM 588 C LYS A 40 60.213 7.487 -2.281 1.00 1.00 C ATOM 589 O LYS A 40 61.285 8.061 -2.100 1.00 1.00 O ATOM 590 CB LYS A 40 59.900 5.166 -1.384 1.00 1.00 C ATOM 591 CG LYS A 40 61.412 4.934 -1.301 1.00 1.00 C ATOM 592 CD LYS A 40 61.715 3.446 -1.436 1.00 1.00 C ATOM 593 CE LYS A 40 63.229 3.235 -1.339 1.00 1.00 C ATOM 594 NZ LYS A 40 63.518 1.783 -1.446 1.00 1.00 N ATOM 0 H LYS A 40 57.593 6.049 -1.170 1.00 1.00 H new ATOM 0 HA LYS A 40 60.045 6.946 -0.198 1.00 1.00 H new ATOM 0 HB2 LYS A 40 59.386 4.559 -0.639 1.00 1.00 H new ATOM 0 HB3 LYS A 40 59.526 4.858 -2.360 1.00 1.00 H new ATOM 0 HG2 LYS A 40 61.918 5.490 -2.090 1.00 1.00 H new ATOM 0 HG3 LYS A 40 61.795 5.308 -0.351 1.00 1.00 H new ATOM 0 HD2 LYS A 40 61.206 2.885 -0.652 1.00 1.00 H new ATOM 0 HD3 LYS A 40 61.343 3.071 -2.389 1.00 1.00 H new ATOM 0 HE2 LYS A 40 63.738 3.781 -2.134 1.00 1.00 H new ATOM 0 HE3 LYS A 40 63.605 3.626 -0.393 1.00 1.00 H new ATOM 0 HZ1 LYS A 40 64.544 1.628 -1.381 1.00 1.00 H new ATOM 0 HZ2 LYS A 40 63.042 1.276 -0.673 1.00 1.00 H new ATOM 0 HZ3 LYS A 40 63.171 1.426 -2.359 1.00 1.00 H new ATOM 608 N ARG A 41 59.568 7.585 -3.433 1.00 1.00 N ATOM 609 CA ARG A 41 60.159 8.392 -4.502 1.00 1.00 C ATOM 610 C ARG A 41 60.265 9.866 -4.067 1.00 1.00 C ATOM 611 O ARG A 41 61.290 10.530 -4.226 1.00 1.00 O ATOM 612 CB ARG A 41 59.301 8.279 -5.767 1.00 1.00 C ATOM 613 CG ARG A 41 59.959 9.031 -6.925 1.00 1.00 C ATOM 614 CD ARG A 41 59.058 8.944 -8.158 1.00 1.00 C ATOM 615 NE ARG A 41 59.737 9.515 -9.319 1.00 1.00 N ATOM 616 CZ ARG A 41 59.670 10.816 -9.606 1.00 1.00 C ATOM 617 NH1 ARG A 41 58.959 11.619 -8.858 1.00 1.00 N ATOM 618 NH2 ARG A 41 60.311 11.287 -10.642 1.00 1.00 N ATOM 0 H ARG A 41 58.676 7.141 -3.652 1.00 1.00 H new ATOM 0 HA ARG A 41 61.162 8.020 -4.712 1.00 1.00 H new ATOM 0 HB2 ARG A 41 59.170 7.230 -6.033 1.00 1.00 H new ATOM 0 HB3 ARG A 41 58.308 8.686 -5.578 1.00 1.00 H new ATOM 0 HG2 ARG A 41 60.122 10.074 -6.652 1.00 1.00 H new ATOM 0 HG3 ARG A 41 60.937 8.602 -7.144 1.00 1.00 H new ATOM 0 HD2 ARG A 41 58.798 7.904 -8.355 1.00 1.00 H new ATOM 0 HD3 ARG A 41 58.125 9.477 -7.974 1.00 1.00 H new ATOM 0 HE ARG A 41 60.278 8.901 -9.928 1.00 1.00 H new ATOM 0 HH11 ARG A 41 58.453 11.251 -8.052 1.00 1.00 H new ATOM 0 HH12 ARG A 41 58.910 12.613 -9.080 1.00 1.00 H new ATOM 0 HH21 ARG A 41 60.861 10.660 -11.229 1.00 1.00 H new ATOM 0 HH22 ARG A 41 60.261 12.281 -10.864 1.00 1.00 H new ATOM 632 N HIS A 42 59.152 10.336 -3.499 1.00 1.00 N ATOM 633 CA HIS A 42 59.036 11.709 -3.003 1.00 1.00 C ATOM 634 C HIS A 42 59.951 11.942 -1.803 1.00 1.00 C ATOM 635 O HIS A 42 60.512 13.025 -1.628 1.00 1.00 O ATOM 636 CB HIS A 42 57.585 11.986 -2.598 1.00 1.00 C ATOM 637 CG HIS A 42 56.732 12.083 -3.839 1.00 1.00 C ATOM 638 ND1 HIS A 42 56.279 10.958 -4.514 1.00 1.00 N ATOM 639 CD2 HIS A 42 56.248 13.158 -4.536 1.00 1.00 C ATOM 640 CE1 HIS A 42 55.554 11.381 -5.566 1.00 1.00 C ATOM 641 NE2 HIS A 42 55.503 12.713 -5.629 1.00 1.00 N ATOM 0 H HIS A 42 58.308 9.777 -3.370 1.00 1.00 H new ATOM 0 HA HIS A 42 59.338 12.387 -3.801 1.00 1.00 H new ATOM 0 HB2 HIS A 42 57.217 11.189 -1.951 1.00 1.00 H new ATOM 0 HB3 HIS A 42 57.525 12.913 -2.028 1.00 1.00 H new ATOM 0 HD1 HIS A 42 56.462 9.987 -4.259 1.00 1.00 H new ATOM 0 HD2 HIS A 42 56.417 14.193 -4.279 1.00 1.00 H new ATOM 0 HE1 HIS A 42 55.072 10.722 -6.273 1.00 1.00 H new ATOM 649 N LEU A 43 60.101 10.909 -0.989 1.00 1.00 N ATOM 650 CA LEU A 43 60.946 10.950 0.199 1.00 1.00 C ATOM 651 C LEU A 43 62.419 10.723 -0.132 1.00 1.00 C ATOM 652 O LEU A 43 63.266 10.782 0.758 1.00 1.00 O ATOM 653 CB LEU A 43 60.493 9.908 1.226 1.00 1.00 C ATOM 654 CG LEU A 43 59.129 10.279 1.814 1.00 1.00 C ATOM 655 CD1 LEU A 43 58.623 9.118 2.672 1.00 1.00 C ATOM 656 CD2 LEU A 43 59.252 11.531 2.689 1.00 1.00 C ATOM 0 H LEU A 43 59.638 10.012 -1.133 1.00 1.00 H new ATOM 0 HA LEU A 43 60.841 11.950 0.620 1.00 1.00 H new ATOM 0 HB2 LEU A 43 60.436 8.927 0.754 1.00 1.00 H new ATOM 0 HB3 LEU A 43 61.230 9.835 2.025 1.00 1.00 H new ATOM 0 HG LEU A 43 58.432 10.480 1.000 1.00 1.00 H new ATOM 0 HD11 LEU A 43 57.652 9.374 3.095 1.00 1.00 H new ATOM 0 HD12 LEU A 43 58.526 8.225 2.055 1.00 1.00 H new ATOM 0 HD13 LEU A 43 59.331 8.926 3.479 1.00 1.00 H new ATOM 0 HD21 LEU A 43 58.275 11.784 3.101 1.00 1.00 H new ATOM 0 HD22 LEU A 43 59.951 11.339 3.503 1.00 1.00 H new ATOM 0 HD23 LEU A 43 59.618 12.362 2.086 1.00 1.00 H new ATOM 668 N SER A 44 62.733 10.393 -1.382 1.00 1.00 N ATOM 669 CA SER A 44 64.109 10.092 -1.751 1.00 1.00 C ATOM 670 C SER A 44 65.059 11.243 -1.427 1.00 1.00 C ATOM 671 O SER A 44 66.144 11.005 -0.895 1.00 1.00 O ATOM 672 CB SER A 44 64.193 9.756 -3.242 1.00 1.00 C ATOM 673 OG SER A 44 65.548 9.809 -3.661 1.00 1.00 O ATOM 0 H SER A 44 62.061 10.328 -2.147 1.00 1.00 H new ATOM 0 HA SER A 44 64.421 9.231 -1.160 1.00 1.00 H new ATOM 0 HB2 SER A 44 63.782 8.763 -3.426 1.00 1.00 H new ATOM 0 HB3 SER A 44 63.594 10.461 -3.819 1.00 1.00 H new ATOM 0 HG SER A 44 65.604 9.593 -4.615 1.00 1.00 H new ATOM 679 N ARG A 45 64.692 12.473 -1.761 1.00 1.00 N ATOM 680 CA ARG A 45 65.595 13.591 -1.501 1.00 1.00 C ATOM 681 C ARG A 45 65.919 13.693 -0.012 1.00 1.00 C ATOM 682 O ARG A 45 67.083 13.782 0.375 1.00 1.00 O ATOM 683 CB ARG A 45 64.930 14.886 -1.965 1.00 1.00 C ATOM 684 CG ARG A 45 64.889 14.916 -3.494 1.00 1.00 C ATOM 685 CD ARG A 45 64.193 16.201 -3.964 1.00 1.00 C ATOM 686 NE ARG A 45 64.165 16.261 -5.425 1.00 1.00 N ATOM 687 CZ ARG A 45 63.918 17.402 -6.068 1.00 1.00 C ATOM 688 NH1 ARG A 45 63.668 18.491 -5.394 1.00 1.00 N ATOM 689 NH2 ARG A 45 63.926 17.442 -7.373 1.00 1.00 N ATOM 0 H ARG A 45 63.805 12.720 -2.199 1.00 1.00 H new ATOM 0 HA ARG A 45 66.525 13.427 -2.046 1.00 1.00 H new ATOM 0 HB2 ARG A 45 63.920 14.954 -1.562 1.00 1.00 H new ATOM 0 HB3 ARG A 45 65.482 15.747 -1.588 1.00 1.00 H new ATOM 0 HG2 ARG A 45 65.901 14.870 -3.896 1.00 1.00 H new ATOM 0 HG3 ARG A 45 64.356 14.043 -3.871 1.00 1.00 H new ATOM 0 HD2 ARG A 45 63.176 16.235 -3.573 1.00 1.00 H new ATOM 0 HD3 ARG A 45 64.716 17.071 -3.568 1.00 1.00 H new ATOM 0 HE ARG A 45 64.338 15.412 -5.963 1.00 1.00 H new ATOM 0 HH11 ARG A 45 63.662 18.469 -4.374 1.00 1.00 H new ATOM 0 HH12 ARG A 45 63.479 19.364 -5.887 1.00 1.00 H new ATOM 0 HH21 ARG A 45 64.122 16.596 -7.908 1.00 1.00 H new ATOM 0 HH22 ARG A 45 63.736 18.319 -7.858 1.00 1.00 H new ATOM 703 N PHE A 46 64.884 13.670 0.815 1.00 1.00 N ATOM 704 CA PHE A 46 65.061 13.750 2.254 1.00 1.00 C ATOM 705 C PHE A 46 65.778 12.518 2.794 1.00 1.00 C ATOM 706 O PHE A 46 66.640 12.615 3.667 1.00 1.00 O ATOM 707 CB PHE A 46 63.695 13.870 2.922 1.00 1.00 C ATOM 708 CG PHE A 46 63.103 15.222 2.595 1.00 1.00 C ATOM 709 CD1 PHE A 46 63.404 16.326 3.396 1.00 1.00 C ATOM 710 CD2 PHE A 46 62.247 15.367 1.495 1.00 1.00 C ATOM 711 CE1 PHE A 46 62.851 17.578 3.102 1.00 1.00 C ATOM 712 CE2 PHE A 46 61.695 16.623 1.199 1.00 1.00 C ATOM 713 CZ PHE A 46 61.996 17.723 2.001 1.00 1.00 C ATOM 0 H PHE A 46 63.913 13.596 0.512 1.00 1.00 H new ATOM 0 HA PHE A 46 65.671 14.625 2.476 1.00 1.00 H new ATOM 0 HB2 PHE A 46 63.035 13.076 2.574 1.00 1.00 H new ATOM 0 HB3 PHE A 46 63.792 13.753 4.001 1.00 1.00 H new ATOM 0 HD1 PHE A 46 64.064 16.214 4.243 1.00 1.00 H new ATOM 0 HD2 PHE A 46 62.012 14.514 0.876 1.00 1.00 H new ATOM 0 HE1 PHE A 46 63.083 18.431 3.723 1.00 1.00 H new ATOM 0 HE2 PHE A 46 61.037 16.737 0.350 1.00 1.00 H new ATOM 0 HZ PHE A 46 61.569 18.689 1.773 1.00 1.00 H new ATOM 723 N TRP A 47 65.409 11.356 2.272 1.00 1.00 N ATOM 724 CA TRP A 47 66.007 10.108 2.715 1.00 1.00 C ATOM 725 C TRP A 47 67.503 10.073 2.438 1.00 1.00 C ATOM 726 O TRP A 47 68.284 9.599 3.262 1.00 1.00 O ATOM 727 CB TRP A 47 65.331 8.922 2.028 1.00 1.00 C ATOM 728 CG TRP A 47 66.131 7.686 2.276 1.00 1.00 C ATOM 729 CD1 TRP A 47 66.867 7.048 1.343 1.00 1.00 C ATOM 730 CD2 TRP A 47 66.291 6.926 3.513 1.00 1.00 C ATOM 731 NE1 TRP A 47 67.471 5.949 1.925 1.00 1.00 N ATOM 732 CE2 TRP A 47 67.143 5.827 3.257 1.00 1.00 C ATOM 733 CE3 TRP A 47 65.781 7.076 4.817 1.00 1.00 C ATOM 734 CZ2 TRP A 47 67.487 4.913 4.254 1.00 1.00 C ATOM 735 CZ3 TRP A 47 66.124 6.159 5.823 1.00 1.00 C ATOM 736 CH2 TRP A 47 66.973 5.077 5.541 1.00 1.00 C ATOM 0 H TRP A 47 64.701 11.254 1.545 1.00 1.00 H new ATOM 0 HA TRP A 47 65.858 10.039 3.793 1.00 1.00 H new ATOM 0 HB2 TRP A 47 64.318 8.796 2.409 1.00 1.00 H new ATOM 0 HB3 TRP A 47 65.248 9.106 0.957 1.00 1.00 H new ATOM 0 HD1 TRP A 47 66.968 7.347 0.310 1.00 1.00 H new ATOM 0 HE1 TRP A 47 68.086 5.305 1.427 1.00 1.00 H new ATOM 0 HE3 TRP A 47 65.122 7.901 5.044 1.00 1.00 H new ATOM 0 HZ2 TRP A 47 68.145 4.086 4.031 1.00 1.00 H new ATOM 0 HZ3 TRP A 47 65.732 6.287 6.821 1.00 1.00 H new ATOM 0 HH2 TRP A 47 67.228 4.373 6.319 1.00 1.00 H new ATOM 747 N ASN A 48 67.897 10.576 1.270 1.00 1.00 N ATOM 748 CA ASN A 48 69.310 10.595 0.890 1.00 1.00 C ATOM 749 C ASN A 48 70.123 11.486 1.827 1.00 1.00 C ATOM 750 O ASN A 48 71.251 11.146 2.200 1.00 1.00 O ATOM 751 CB ASN A 48 69.464 11.107 -0.545 1.00 1.00 C ATOM 752 CG ASN A 48 70.940 11.129 -0.931 1.00 1.00 C ATOM 753 OD1 ASN A 48 71.718 10.304 -0.450 1.00 1.00 O ATOM 754 ND2 ASN A 48 71.374 12.031 -1.768 1.00 1.00 N ATOM 0 H ASN A 48 67.265 10.973 0.575 1.00 1.00 H new ATOM 0 HA ASN A 48 69.685 9.574 0.962 1.00 1.00 H new ATOM 0 HB2 ASN A 48 68.909 10.467 -1.231 1.00 1.00 H new ATOM 0 HB3 ASN A 48 69.041 12.108 -0.631 1.00 1.00 H new ATOM 0 HD21 ASN A 48 72.361 12.055 -2.026 1.00 1.00 H new ATOM 0 HD22 ASN A 48 70.727 12.712 -2.164 1.00 1.00 H new ATOM 761 N ASP A 49 69.555 12.631 2.190 1.00 1.00 N ATOM 762 CA ASP A 49 70.236 13.572 3.068 1.00 1.00 C ATOM 763 C ASP A 49 70.297 13.033 4.491 1.00 1.00 C ATOM 764 O ASP A 49 69.353 12.401 4.968 1.00 1.00 O ATOM 765 CB ASP A 49 69.510 14.920 3.056 1.00 1.00 C ATOM 766 CG ASP A 49 69.712 15.610 1.711 1.00 1.00 C ATOM 767 OD1 ASP A 49 70.586 15.188 0.973 1.00 1.00 O ATOM 768 OD2 ASP A 49 68.987 16.554 1.442 1.00 1.00 O ATOM 0 H ASP A 49 68.627 12.928 1.890 1.00 1.00 H new ATOM 0 HA ASP A 49 71.254 13.707 2.703 1.00 1.00 H new ATOM 0 HB2 ASP A 49 68.446 14.771 3.241 1.00 1.00 H new ATOM 0 HB3 ASP A 49 69.888 15.553 3.859 1.00 1.00 H new ATOM 773 N PHE A 50 71.416 13.287 5.163 1.00 1.00 N ATOM 774 CA PHE A 50 71.598 12.820 6.533 1.00 1.00 C ATOM 775 C PHE A 50 71.262 13.925 7.529 1.00 1.00 C ATOM 776 O PHE A 50 70.363 13.723 8.330 1.00 1.00 O ATOM 777 CB PHE A 50 73.045 12.371 6.750 1.00 1.00 C ATOM 778 CG PHE A 50 73.212 11.935 8.186 1.00 1.00 C ATOM 779 CD1 PHE A 50 72.660 10.722 8.608 1.00 1.00 C ATOM 780 CD2 PHE A 50 73.914 12.742 9.093 1.00 1.00 C ATOM 781 CE1 PHE A 50 72.804 10.312 9.939 1.00 1.00 C ATOM 782 CE2 PHE A 50 74.061 12.331 10.426 1.00 1.00 C ATOM 783 CZ PHE A 50 73.504 11.117 10.849 1.00 1.00 C ATOM 784 OXT PHE A 50 71.915 14.952 7.480 1.00 1.00 O ATOM 0 H PHE A 50 72.205 13.810 4.784 1.00 1.00 H new ATOM 0 HA PHE A 50 70.925 11.978 6.695 1.00 1.00 H new ATOM 0 HB2 PHE A 50 73.290 11.550 6.076 1.00 1.00 H new ATOM 0 HB3 PHE A 50 73.731 13.187 6.522 1.00 1.00 H new ATOM 0 HD1 PHE A 50 72.122 10.101 7.907 1.00 1.00 H new ATOM 0 HD2 PHE A 50 74.341 13.679 8.766 1.00 1.00 H new ATOM 0 HE1 PHE A 50 72.376 9.376 10.265 1.00 1.00 H new ATOM 0 HE2 PHE A 50 74.603 12.950 11.126 1.00 1.00 H new ATOM 0 HZ PHE A 50 73.614 10.801 11.876 1.00 1.00 H new TER 794 PHE A 50