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 138:sc= -0.153 (180deg=-1.05) USER MOD Single : A 1 MET N :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 5 HIS : no HD1:sc= 0 X(o=0,f=0) USER MOD Single : A 6 GLN : amide:sc=-6.71e-06 K(o=-6.7e-06,f=-1.7!) 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 -102:sc= -0.202! 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 180:sc= 0 USER MOD Single : A 38 SER OG : rot 79:sc= 0.202 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=-0.0071) USER MOD Single : A 44 SER OG : rot -119:sc= 1.21 USER MOD Single : A 48 ASN : amide:sc= -0.115 K(o=-0.12,f=-2.6!) USER MOD ----------------------------------------------------------------- ATOM 1 N MET A 1 1.624 -5.596 12.930 1.00 1.00 N ATOM 2 CA MET A 1 1.117 -6.455 14.038 1.00 1.00 C ATOM 3 C MET A 1 2.295 -7.122 14.740 1.00 1.00 C ATOM 4 O MET A 1 2.726 -6.681 15.806 1.00 1.00 O ATOM 5 CB MET A 1 0.175 -7.517 13.467 1.00 1.00 C ATOM 6 CG MET A 1 -0.411 -8.350 14.610 1.00 1.00 C ATOM 7 SD MET A 1 -1.583 -9.558 13.939 1.00 1.00 S ATOM 8 CE MET A 1 -0.389 -10.582 13.043 1.00 1.00 C ATOM 0 H1 MET A 1 0.822 -5.140 12.450 1.00 1.00 H new ATOM 0 H2 MET A 1 2.256 -4.867 13.318 1.00 1.00 H new ATOM 0 H3 MET A 1 2.148 -6.182 12.249 1.00 1.00 H new ATOM 0 HA MET A 1 0.571 -5.845 14.758 1.00 1.00 H new ATOM 0 HB2 MET A 1 -0.627 -7.041 12.902 1.00 1.00 H new ATOM 0 HB3 MET A 1 0.715 -8.161 12.773 1.00 1.00 H new ATOM 0 HG2 MET A 1 0.387 -8.862 15.147 1.00 1.00 H new ATOM 0 HG3 MET A 1 -0.913 -7.700 15.327 1.00 1.00 H new ATOM 0 HE1 MET A 1 -0.632 -11.635 13.187 1.00 1.00 H new ATOM 0 HE2 MET A 1 -0.430 -10.343 11.980 1.00 1.00 H new ATOM 0 HE3 MET A 1 0.614 -10.386 13.421 1.00 1.00 H new ATOM 20 N ALA A 2 2.811 -8.189 14.137 1.00 1.00 N ATOM 21 CA ALA A 2 3.940 -8.910 14.714 1.00 1.00 C ATOM 22 C ALA A 2 5.175 -8.016 14.767 1.00 1.00 C ATOM 23 O ALA A 2 5.950 -8.072 15.722 1.00 1.00 O ATOM 24 CB ALA A 2 4.244 -10.156 13.882 1.00 1.00 C ATOM 0 H ALA A 2 2.468 -8.571 13.256 1.00 1.00 H new ATOM 0 HA ALA A 2 3.677 -9.208 15.729 1.00 1.00 H new ATOM 0 HB1 ALA A 2 5.088 -10.689 14.320 1.00 1.00 H new ATOM 0 HB2 ALA A 2 3.370 -10.808 13.870 1.00 1.00 H new ATOM 0 HB3 ALA A 2 4.490 -9.861 12.862 1.00 1.00 H new ATOM 30 N GLU A 3 5.349 -7.197 13.732 1.00 1.00 N ATOM 31 CA GLU A 3 6.493 -6.292 13.660 1.00 1.00 C ATOM 32 C GLU A 3 6.023 -4.842 13.617 1.00 1.00 C ATOM 33 O GLU A 3 5.072 -4.508 12.912 1.00 1.00 O ATOM 34 CB GLU A 3 7.323 -6.603 12.410 1.00 1.00 C ATOM 35 CG GLU A 3 8.567 -5.712 12.378 1.00 1.00 C ATOM 36 CD GLU A 3 9.422 -6.055 11.164 1.00 1.00 C ATOM 37 OE1 GLU A 3 8.933 -6.768 10.302 1.00 1.00 O ATOM 38 OE2 GLU A 3 10.552 -5.598 11.112 1.00 1.00 O ATOM 0 H GLU A 3 4.715 -7.142 12.935 1.00 1.00 H new ATOM 0 HA GLU A 3 7.108 -6.435 14.549 1.00 1.00 H new ATOM 0 HB2 GLU A 3 7.616 -7.653 12.409 1.00 1.00 H new ATOM 0 HB3 GLU A 3 6.724 -6.439 11.514 1.00 1.00 H new ATOM 0 HG2 GLU A 3 8.272 -4.663 12.341 1.00 1.00 H new ATOM 0 HG3 GLU A 3 9.146 -5.849 13.291 1.00 1.00 H new ATOM 45 N ALA A 4 6.698 -3.985 14.378 1.00 1.00 N ATOM 46 CA ALA A 4 6.343 -2.572 14.420 1.00 1.00 C ATOM 47 C ALA A 4 6.608 -1.914 13.070 1.00 1.00 C ATOM 48 O ALA A 4 7.566 -2.262 12.380 1.00 1.00 O ATOM 49 CB ALA A 4 7.155 -1.861 15.504 1.00 1.00 C ATOM 0 H ALA A 4 7.488 -4.243 14.969 1.00 1.00 H new ATOM 0 HA ALA A 4 5.281 -2.490 14.650 1.00 1.00 H new ATOM 0 HB1 ALA A 4 6.884 -0.806 15.529 1.00 1.00 H new ATOM 0 HB2 ALA A 4 6.943 -2.313 16.473 1.00 1.00 H new ATOM 0 HB3 ALA A 4 8.218 -1.957 15.284 1.00 1.00 H new ATOM 55 N HIS A 5 5.750 -0.966 12.700 1.00 1.00 N ATOM 56 CA HIS A 5 5.895 -0.267 11.428 1.00 1.00 C ATOM 57 C HIS A 5 6.296 1.188 11.656 1.00 1.00 C ATOM 58 O HIS A 5 5.781 1.851 12.556 1.00 1.00 O ATOM 59 CB HIS A 5 4.576 -0.317 10.653 1.00 1.00 C ATOM 60 CG HIS A 5 4.251 -1.745 10.311 1.00 1.00 C ATOM 61 ND1 HIS A 5 4.935 -2.443 9.329 1.00 1.00 N ATOM 62 CD2 HIS A 5 3.317 -2.618 10.811 1.00 1.00 C ATOM 63 CE1 HIS A 5 4.408 -3.680 9.269 1.00 1.00 C ATOM 64 NE2 HIS A 5 3.419 -3.839 10.152 1.00 1.00 N ATOM 0 H HIS A 5 4.952 -0.666 13.260 1.00 1.00 H new ATOM 0 HA HIS A 5 6.677 -0.761 10.851 1.00 1.00 H new ATOM 0 HB2 HIS A 5 3.774 0.117 11.250 1.00 1.00 H new ATOM 0 HB3 HIS A 5 4.653 0.278 9.743 1.00 1.00 H new ATOM 0 HD2 HIS A 5 2.611 -2.392 11.596 1.00 1.00 H new ATOM 0 HE1 HIS A 5 4.744 -4.450 8.590 1.00 1.00 H new ATOM 0 HE2 HIS A 5 2.858 -4.676 10.310 1.00 1.00 H new ATOM 72 N GLN A 6 7.220 1.672 10.835 1.00 1.00 N ATOM 73 CA GLN A 6 7.692 3.047 10.951 1.00 1.00 C ATOM 74 C GLN A 6 6.654 4.023 10.403 1.00 1.00 C ATOM 75 O GLN A 6 6.005 3.753 9.392 1.00 1.00 O ATOM 76 CB GLN A 6 9.007 3.213 10.185 1.00 1.00 C ATOM 77 CG GLN A 6 9.515 4.648 10.343 1.00 1.00 C ATOM 78 CD GLN A 6 10.907 4.779 9.733 1.00 1.00 C ATOM 79 OE1 GLN A 6 11.580 3.775 9.499 1.00 1.00 O ATOM 80 NE2 GLN A 6 11.381 5.964 9.461 1.00 1.00 N ATOM 0 H GLN A 6 7.656 1.136 10.085 1.00 1.00 H new ATOM 0 HA GLN A 6 7.855 3.266 12.006 1.00 1.00 H new ATOM 0 HB2 GLN A 6 9.750 2.510 10.561 1.00 1.00 H new ATOM 0 HB3 GLN A 6 8.857 2.984 9.130 1.00 1.00 H new ATOM 0 HG2 GLN A 6 8.829 5.341 9.856 1.00 1.00 H new ATOM 0 HG3 GLN A 6 9.545 4.918 11.399 1.00 1.00 H new ATOM 0 HE21 GLN A 6 10.821 6.794 9.656 1.00 1.00 H new ATOM 0 HE22 GLN A 6 12.311 6.060 9.054 1.00 1.00 H new ATOM 89 N ALA A 7 6.508 5.158 11.077 1.00 1.00 N ATOM 90 CA ALA A 7 5.551 6.173 10.652 1.00 1.00 C ATOM 91 C ALA A 7 5.956 6.748 9.299 1.00 1.00 C ATOM 92 O ALA A 7 7.143 6.863 8.996 1.00 1.00 O ATOM 93 CB ALA A 7 5.482 7.296 11.688 1.00 1.00 C ATOM 0 H ALA A 7 7.037 5.398 11.916 1.00 1.00 H new ATOM 0 HA ALA A 7 4.569 5.708 10.561 1.00 1.00 H new ATOM 0 HB1 ALA A 7 4.765 8.049 11.361 1.00 1.00 H new ATOM 0 HB2 ALA A 7 5.167 6.887 12.648 1.00 1.00 H new ATOM 0 HB3 ALA A 7 6.465 7.754 11.794 1.00 1.00 H new ATOM 99 N VAL A 8 4.959 7.100 8.488 1.00 1.00 N ATOM 100 CA VAL A 8 5.218 7.654 7.162 1.00 1.00 C ATOM 101 C VAL A 8 4.696 9.084 7.062 1.00 1.00 C ATOM 102 O VAL A 8 3.556 9.371 7.429 1.00 1.00 O ATOM 103 CB VAL A 8 4.549 6.788 6.092 1.00 1.00 C ATOM 104 CG1 VAL A 8 5.227 5.417 6.046 1.00 1.00 C ATOM 105 CG2 VAL A 8 3.065 6.608 6.428 1.00 1.00 C ATOM 0 H VAL A 8 3.971 7.012 8.725 1.00 1.00 H new ATOM 0 HA VAL A 8 6.296 7.663 7.000 1.00 1.00 H new ATOM 0 HB VAL A 8 4.645 7.277 5.122 1.00 1.00 H new ATOM 0 HG11 VAL A 8 4.750 4.801 5.284 1.00 1.00 H new ATOM 0 HG12 VAL A 8 6.283 5.541 5.804 1.00 1.00 H new ATOM 0 HG13 VAL A 8 5.132 4.931 7.017 1.00 1.00 H new ATOM 0 HG21 VAL A 8 2.591 5.991 5.664 1.00 1.00 H new ATOM 0 HG22 VAL A 8 2.968 6.122 7.399 1.00 1.00 H new ATOM 0 HG23 VAL A 8 2.578 7.583 6.460 1.00 1.00 H new ATOM 115 N GLY A 9 5.548 9.976 6.567 1.00 1.00 N ATOM 116 CA GLY A 9 5.182 11.380 6.420 1.00 1.00 C ATOM 117 C GLY A 9 6.314 12.158 5.759 1.00 1.00 C ATOM 118 O GLY A 9 7.283 11.568 5.279 1.00 1.00 O ATOM 0 H GLY A 9 6.495 9.752 6.261 1.00 1.00 H new ATOM 0 HA2 GLY A 9 4.275 11.465 5.821 1.00 1.00 H new ATOM 0 HA3 GLY A 9 4.960 11.809 7.397 1.00 1.00 H new ATOM 122 N PHE A 10 6.192 13.480 5.735 1.00 1.00 N ATOM 123 CA PHE A 10 7.223 14.312 5.126 1.00 1.00 C ATOM 124 C PHE A 10 8.279 14.690 6.159 1.00 1.00 C ATOM 125 O PHE A 10 7.976 15.324 7.170 1.00 1.00 O ATOM 126 CB PHE A 10 6.595 15.581 4.548 1.00 1.00 C ATOM 127 CG PHE A 10 7.679 16.464 3.974 1.00 1.00 C ATOM 128 CD1 PHE A 10 8.299 16.116 2.769 1.00 1.00 C ATOM 129 CD2 PHE A 10 8.062 17.629 4.649 1.00 1.00 C ATOM 130 CE1 PHE A 10 9.304 16.934 2.237 1.00 1.00 C ATOM 131 CE2 PHE A 10 9.067 18.447 4.117 1.00 1.00 C ATOM 132 CZ PHE A 10 9.687 18.099 2.912 1.00 1.00 C ATOM 0 H PHE A 10 5.401 13.993 6.124 1.00 1.00 H new ATOM 0 HA PHE A 10 7.698 13.746 4.325 1.00 1.00 H new ATOM 0 HB2 PHE A 10 5.874 15.322 3.773 1.00 1.00 H new ATOM 0 HB3 PHE A 10 6.049 16.116 5.325 1.00 1.00 H new ATOM 0 HD1 PHE A 10 8.003 15.217 2.249 1.00 1.00 H new ATOM 0 HD2 PHE A 10 7.583 17.897 5.579 1.00 1.00 H new ATOM 0 HE1 PHE A 10 9.783 16.666 1.307 1.00 1.00 H new ATOM 0 HE2 PHE A 10 9.363 19.346 4.637 1.00 1.00 H new ATOM 0 HZ PHE A 10 10.462 18.730 2.502 1.00 1.00 H new ATOM 142 N ARG A 11 9.522 14.294 5.892 1.00 1.00 N ATOM 143 CA ARG A 11 10.627 14.588 6.799 1.00 1.00 C ATOM 144 C ARG A 11 11.949 14.126 6.187 1.00 1.00 C ATOM 145 O ARG A 11 12.481 13.080 6.560 1.00 1.00 O ATOM 146 CB ARG A 11 10.416 13.875 8.138 1.00 1.00 C ATOM 147 CG ARG A 11 11.324 14.501 9.198 1.00 1.00 C ATOM 148 CD ARG A 11 10.510 15.462 10.064 1.00 1.00 C ATOM 149 NE ARG A 11 9.456 14.739 10.767 1.00 1.00 N ATOM 150 CZ ARG A 11 8.481 15.386 11.398 1.00 1.00 C ATOM 151 NH1 ARG A 11 8.455 16.690 11.395 1.00 1.00 N ATOM 152 NH2 ARG A 11 7.550 14.716 12.020 1.00 1.00 N ATOM 0 H ARG A 11 9.788 13.771 5.058 1.00 1.00 H new ATOM 0 HA ARG A 11 10.660 15.665 6.963 1.00 1.00 H new ATOM 0 HB2 ARG A 11 9.373 13.955 8.444 1.00 1.00 H new ATOM 0 HB3 ARG A 11 10.638 12.813 8.035 1.00 1.00 H new ATOM 0 HG2 ARG A 11 11.767 13.722 9.818 1.00 1.00 H new ATOM 0 HG3 ARG A 11 12.146 15.033 8.719 1.00 1.00 H new ATOM 0 HD2 ARG A 11 11.163 15.957 10.783 1.00 1.00 H new ATOM 0 HD3 ARG A 11 10.072 16.242 9.441 1.00 1.00 H new ATOM 0 HE ARG A 11 9.467 13.719 10.775 1.00 1.00 H new ATOM 0 HH11 ARG A 11 9.183 17.213 10.908 1.00 1.00 H new ATOM 0 HH12 ARG A 11 7.707 17.186 11.879 1.00 1.00 H new ATOM 0 HH21 ARG A 11 7.570 13.696 12.022 1.00 1.00 H new ATOM 0 HH22 ARG A 11 6.802 15.212 12.504 1.00 1.00 H new ATOM 166 N PRO A 12 12.482 14.878 5.261 1.00 1.00 N ATOM 167 CA PRO A 12 13.768 14.531 4.587 1.00 1.00 C ATOM 168 C PRO A 12 14.929 14.456 5.577 1.00 1.00 C ATOM 169 O PRO A 12 14.988 15.222 6.539 1.00 1.00 O ATOM 170 CB PRO A 12 13.988 15.668 3.580 1.00 1.00 C ATOM 171 CG PRO A 12 12.666 16.351 3.438 1.00 1.00 C ATOM 172 CD PRO A 12 11.920 16.134 4.750 1.00 1.00 C ATOM 0 HA PRO A 12 13.723 13.549 4.116 1.00 1.00 H new ATOM 0 HB2 PRO A 12 14.750 16.362 3.935 1.00 1.00 H new ATOM 0 HB3 PRO A 12 14.332 15.280 2.621 1.00 1.00 H new ATOM 0 HG2 PRO A 12 12.799 17.414 3.239 1.00 1.00 H new ATOM 0 HG3 PRO A 12 12.104 15.938 2.600 1.00 1.00 H new ATOM 0 HD2 PRO A 12 12.082 16.958 5.445 1.00 1.00 H new ATOM 0 HD3 PRO A 12 10.844 16.057 4.592 1.00 1.00 H new ATOM 180 N SER A 13 15.847 13.527 5.333 1.00 1.00 N ATOM 181 CA SER A 13 17.001 13.358 6.208 1.00 1.00 C ATOM 182 C SER A 13 17.989 14.505 6.024 1.00 1.00 C ATOM 183 O SER A 13 18.145 15.033 4.922 1.00 1.00 O ATOM 184 CB SER A 13 17.696 12.029 5.905 1.00 1.00 C ATOM 185 OG SER A 13 16.944 10.966 6.474 1.00 1.00 O ATOM 0 H SER A 13 15.815 12.884 4.542 1.00 1.00 H new ATOM 0 HA SER A 13 16.652 13.359 7.241 1.00 1.00 H new ATOM 0 HB2 SER A 13 17.786 11.890 4.828 1.00 1.00 H new ATOM 0 HB3 SER A 13 18.707 12.033 6.312 1.00 1.00 H new ATOM 0 HG SER A 13 17.385 10.113 6.280 1.00 1.00 H new ATOM 191 N LEU A 14 18.658 14.882 7.110 1.00 1.00 N ATOM 192 CA LEU A 14 19.634 15.964 7.058 1.00 1.00 C ATOM 193 C LEU A 14 20.925 15.487 6.404 1.00 1.00 C ATOM 194 O LEU A 14 21.363 14.359 6.625 1.00 1.00 O ATOM 195 CB LEU A 14 19.935 16.466 8.473 1.00 1.00 C ATOM 196 CG LEU A 14 18.697 17.167 9.045 1.00 1.00 C ATOM 197 CD1 LEU A 14 18.927 17.478 10.524 1.00 1.00 C ATOM 198 CD2 LEU A 14 18.425 18.473 8.286 1.00 1.00 C ATOM 0 H LEU A 14 18.543 14.457 8.030 1.00 1.00 H new ATOM 0 HA LEU A 14 19.215 16.777 6.465 1.00 1.00 H new ATOM 0 HB2 LEU A 14 20.221 15.631 9.113 1.00 1.00 H new ATOM 0 HB3 LEU A 14 20.779 17.155 8.453 1.00 1.00 H new ATOM 0 HG LEU A 14 17.836 16.508 8.935 1.00 1.00 H new ATOM 0 HD11 LEU A 14 18.048 17.976 10.932 1.00 1.00 H new ATOM 0 HD12 LEU A 14 19.103 16.550 11.068 1.00 1.00 H new ATOM 0 HD13 LEU A 14 19.794 18.130 10.628 1.00 1.00 H new ATOM 0 HD21 LEU A 14 17.543 18.959 8.703 1.00 1.00 H new ATOM 0 HD22 LEU A 14 19.285 19.136 8.383 1.00 1.00 H new ATOM 0 HD23 LEU A 14 18.253 18.253 7.232 1.00 1.00 H new ATOM 210 N THR A 15 21.530 16.351 5.596 1.00 1.00 N ATOM 211 CA THR A 15 22.771 16.001 4.918 1.00 1.00 C ATOM 212 C THR A 15 23.898 15.815 5.929 1.00 1.00 C ATOM 213 O THR A 15 24.790 14.986 5.736 1.00 1.00 O ATOM 214 CB THR A 15 23.150 17.101 3.924 1.00 1.00 C ATOM 215 OG1 THR A 15 23.220 18.346 4.601 1.00 1.00 O ATOM 216 CG2 THR A 15 22.096 17.177 2.819 1.00 1.00 C ATOM 0 H THR A 15 21.185 17.290 5.396 1.00 1.00 H new ATOM 0 HA THR A 15 22.620 15.064 4.382 1.00 1.00 H new ATOM 0 HB THR A 15 24.120 16.873 3.482 1.00 1.00 H new ATOM 0 HG1 THR A 15 23.464 19.051 3.965 1.00 1.00 H new ATOM 0 HG21 THR A 15 22.367 17.961 2.111 1.00 1.00 H new ATOM 0 HG22 THR A 15 22.044 16.220 2.299 1.00 1.00 H new ATOM 0 HG23 THR A 15 21.124 17.404 3.258 1.00 1.00 H new ATOM 224 N SER A 16 23.850 16.592 7.005 1.00 1.00 N ATOM 225 CA SER A 16 24.869 16.509 8.046 1.00 1.00 C ATOM 226 C SER A 16 24.878 15.124 8.683 1.00 1.00 C ATOM 227 O SER A 16 25.927 14.614 9.077 1.00 1.00 O ATOM 228 CB SER A 16 24.604 17.570 9.115 1.00 1.00 C ATOM 229 OG SER A 16 23.313 17.359 9.672 1.00 1.00 O ATOM 0 H SER A 16 23.121 17.283 7.180 1.00 1.00 H new ATOM 0 HA SER A 16 25.844 16.687 7.592 1.00 1.00 H new ATOM 0 HB2 SER A 16 25.363 17.515 9.895 1.00 1.00 H new ATOM 0 HB3 SER A 16 24.667 18.567 8.679 1.00 1.00 H new ATOM 0 HG SER A 16 23.139 18.036 10.359 1.00 1.00 H new ATOM 235 N ASP A 17 23.697 14.523 8.789 1.00 1.00 N ATOM 236 CA ASP A 17 23.573 13.198 9.389 1.00 1.00 C ATOM 237 C ASP A 17 23.769 12.110 8.339 1.00 1.00 C ATOM 238 O ASP A 17 22.955 11.955 7.425 1.00 1.00 O ATOM 239 CB ASP A 17 22.191 13.043 10.030 1.00 1.00 C ATOM 240 CG ASP A 17 22.083 11.683 10.711 1.00 1.00 C ATOM 241 OD1 ASP A 17 22.996 10.889 10.554 1.00 1.00 O ATOM 242 OD2 ASP A 17 21.090 11.457 11.383 1.00 1.00 O ATOM 0 H ASP A 17 22.817 14.929 8.470 1.00 1.00 H new ATOM 0 HA ASP A 17 24.345 13.094 10.152 1.00 1.00 H new ATOM 0 HB2 ASP A 17 22.027 13.838 10.758 1.00 1.00 H new ATOM 0 HB3 ASP A 17 21.415 13.142 9.271 1.00 1.00 H new ATOM 247 N GLY A 18 24.856 11.357 8.480 1.00 1.00 N ATOM 248 CA GLY A 18 25.160 10.280 7.546 1.00 1.00 C ATOM 249 C GLY A 18 26.107 10.758 6.453 1.00 1.00 C ATOM 250 O GLY A 18 26.527 9.976 5.599 1.00 1.00 O ATOM 0 H GLY A 18 25.538 11.473 9.229 1.00 1.00 H new ATOM 0 HA2 GLY A 18 25.610 9.445 8.082 1.00 1.00 H new ATOM 0 HA3 GLY A 18 24.238 9.911 7.098 1.00 1.00 H new ATOM 254 N ALA A 19 26.439 12.044 6.484 1.00 1.00 N ATOM 255 CA ALA A 19 27.338 12.611 5.488 1.00 1.00 C ATOM 256 C ALA A 19 28.719 11.987 5.607 1.00 1.00 C ATOM 257 O ALA A 19 29.387 11.726 4.603 1.00 1.00 O ATOM 258 CB ALA A 19 27.440 14.125 5.670 1.00 1.00 C ATOM 0 H ALA A 19 26.102 12.708 7.182 1.00 1.00 H new ATOM 0 HA ALA A 19 26.936 12.397 4.498 1.00 1.00 H new ATOM 0 HB1 ALA A 19 28.115 14.537 4.920 1.00 1.00 H new ATOM 0 HB2 ALA A 19 26.453 14.573 5.555 1.00 1.00 H new ATOM 0 HB3 ALA A 19 27.825 14.347 6.665 1.00 1.00 H new ATOM 264 N GLU A 20 29.146 11.748 6.838 1.00 1.00 N ATOM 265 CA GLU A 20 30.454 11.155 7.080 1.00 1.00 C ATOM 266 C GLU A 20 30.329 9.651 7.290 1.00 1.00 C ATOM 267 O GLU A 20 29.352 9.175 7.868 1.00 1.00 O ATOM 268 CB GLU A 20 31.098 11.782 8.320 1.00 1.00 C ATOM 269 CG GLU A 20 31.391 13.263 8.064 1.00 1.00 C ATOM 270 CD GLU A 20 32.443 13.410 6.971 1.00 1.00 C ATOM 271 OE1 GLU A 20 33.180 12.461 6.752 1.00 1.00 O ATOM 272 OE2 GLU A 20 32.484 14.462 6.357 1.00 1.00 O ATOM 0 H GLU A 20 28.610 11.954 7.681 1.00 1.00 H new ATOM 0 HA GLU A 20 31.079 11.345 6.207 1.00 1.00 H new ATOM 0 HB2 GLU A 20 30.434 11.677 9.178 1.00 1.00 H new ATOM 0 HB3 GLU A 20 32.021 11.257 8.566 1.00 1.00 H new ATOM 0 HG2 GLU A 20 30.476 13.777 7.770 1.00 1.00 H new ATOM 0 HG3 GLU A 20 31.741 13.736 8.982 1.00 1.00 H new ATOM 279 N VAL A 21 31.327 8.909 6.819 1.00 1.00 N ATOM 280 CA VAL A 21 31.326 7.454 6.958 1.00 1.00 C ATOM 281 C VAL A 21 32.556 6.985 7.732 1.00 1.00 C ATOM 282 O VAL A 21 33.683 7.390 7.436 1.00 1.00 O ATOM 283 CB VAL A 21 31.314 6.801 5.575 1.00 1.00 C ATOM 284 CG1 VAL A 21 31.602 5.308 5.709 1.00 1.00 C ATOM 285 CG2 VAL A 21 29.943 6.984 4.933 1.00 1.00 C ATOM 0 H VAL A 21 32.144 9.288 6.340 1.00 1.00 H new ATOM 0 HA VAL A 21 30.432 7.161 7.509 1.00 1.00 H new ATOM 0 HB VAL A 21 32.078 7.270 4.954 1.00 1.00 H new ATOM 0 HG11 VAL A 21 31.593 4.846 4.722 1.00 1.00 H new ATOM 0 HG12 VAL A 21 32.581 5.166 6.167 1.00 1.00 H new ATOM 0 HG13 VAL A 21 30.838 4.845 6.334 1.00 1.00 H new ATOM 0 HG21 VAL A 21 29.937 6.518 3.948 1.00 1.00 H new ATOM 0 HG22 VAL A 21 29.183 6.518 5.559 1.00 1.00 H new ATOM 0 HG23 VAL A 21 29.727 8.048 4.832 1.00 1.00 H new ATOM 295 N GLU A 22 32.329 6.130 8.730 1.00 1.00 N ATOM 296 CA GLU A 22 33.415 5.605 9.550 1.00 1.00 C ATOM 297 C GLU A 22 33.828 4.209 9.098 1.00 1.00 C ATOM 298 O GLU A 22 34.743 3.612 9.673 1.00 1.00 O ATOM 299 CB GLU A 22 32.984 5.578 11.019 1.00 1.00 C ATOM 300 CG GLU A 22 31.833 4.589 11.212 1.00 1.00 C ATOM 301 CD GLU A 22 31.367 4.615 12.662 1.00 1.00 C ATOM 302 OE1 GLU A 22 31.324 5.694 13.228 1.00 1.00 O ATOM 303 OE2 GLU A 22 31.058 3.556 13.185 1.00 1.00 O ATOM 0 H GLU A 22 31.403 5.788 8.988 1.00 1.00 H new ATOM 0 HA GLU A 22 34.278 6.261 9.435 1.00 1.00 H new ATOM 0 HB2 GLU A 22 33.827 5.293 11.648 1.00 1.00 H new ATOM 0 HB3 GLU A 22 32.674 6.575 11.333 1.00 1.00 H new ATOM 0 HG2 GLU A 22 31.006 4.846 10.550 1.00 1.00 H new ATOM 0 HG3 GLU A 22 32.156 3.584 10.942 1.00 1.00 H new ATOM 310 N LEU A 23 33.149 3.694 8.073 1.00 1.00 N ATOM 311 CA LEU A 23 33.458 2.365 7.561 1.00 1.00 C ATOM 312 C LEU A 23 34.177 2.457 6.221 1.00 1.00 C ATOM 313 O LEU A 23 33.721 3.145 5.309 1.00 1.00 O ATOM 314 CB LEU A 23 32.166 1.557 7.397 1.00 1.00 C ATOM 315 CG LEU A 23 31.453 1.448 8.746 1.00 1.00 C ATOM 316 CD1 LEU A 23 30.142 0.689 8.558 1.00 1.00 C ATOM 317 CD2 LEU A 23 32.337 0.693 9.745 1.00 1.00 C ATOM 0 H LEU A 23 32.390 4.173 7.587 1.00 1.00 H new ATOM 0 HA LEU A 23 34.113 1.865 8.275 1.00 1.00 H new ATOM 0 HB2 LEU A 23 31.514 2.039 6.668 1.00 1.00 H new ATOM 0 HB3 LEU A 23 32.394 0.562 7.013 1.00 1.00 H new ATOM 0 HG LEU A 23 31.253 2.448 9.131 1.00 1.00 H new ATOM 0 HD11 LEU A 23 29.628 0.607 9.516 1.00 1.00 H new ATOM 0 HD12 LEU A 23 29.509 1.226 7.851 1.00 1.00 H new ATOM 0 HD13 LEU A 23 30.351 -0.309 8.172 1.00 1.00 H new ATOM 0 HD21 LEU A 23 31.822 0.620 10.703 1.00 1.00 H new ATOM 0 HD22 LEU A 23 32.542 -0.308 9.365 1.00 1.00 H new ATOM 0 HD23 LEU A 23 33.276 1.230 9.878 1.00 1.00 H new ATOM 329 N SER A 24 35.307 1.754 6.122 1.00 1.00 N ATOM 330 CA SER A 24 36.111 1.745 4.896 1.00 1.00 C ATOM 331 C SER A 24 37.554 1.380 5.215 1.00 1.00 C ATOM 332 O SER A 24 38.465 1.659 4.439 1.00 1.00 O ATOM 333 CB SER A 24 36.069 3.108 4.205 1.00 1.00 C ATOM 334 OG SER A 24 35.949 4.129 5.182 1.00 1.00 O ATOM 0 H SER A 24 35.687 1.183 6.877 1.00 1.00 H new ATOM 0 HA SER A 24 35.689 0.999 4.223 1.00 1.00 H new ATOM 0 HB2 SER A 24 36.974 3.257 3.616 1.00 1.00 H new ATOM 0 HB3 SER A 24 35.228 3.151 3.513 1.00 1.00 H new ATOM 0 HG SER A 24 35.022 4.445 5.212 1.00 1.00 H new ATOM 340 N ALA A 25 37.760 0.788 6.377 1.00 1.00 N ATOM 341 CA ALA A 25 39.106 0.424 6.807 1.00 1.00 C ATOM 342 C ALA A 25 39.879 -0.333 5.730 1.00 1.00 C ATOM 343 O ALA A 25 41.011 0.022 5.421 1.00 1.00 O ATOM 344 CB ALA A 25 39.034 -0.422 8.077 1.00 1.00 C ATOM 0 H ALA A 25 37.022 0.549 7.039 1.00 1.00 H new ATOM 0 HA ALA A 25 39.643 1.352 7.003 1.00 1.00 H new ATOM 0 HB1 ALA A 25 40.042 -0.691 8.393 1.00 1.00 H new ATOM 0 HB2 ALA A 25 38.546 0.149 8.867 1.00 1.00 H new ATOM 0 HB3 ALA A 25 38.462 -1.329 7.878 1.00 1.00 H new ATOM 350 N PRO A 26 39.322 -1.359 5.152 1.00 1.00 N ATOM 351 CA PRO A 26 40.037 -2.130 4.104 1.00 1.00 C ATOM 352 C PRO A 26 40.528 -1.246 2.953 1.00 1.00 C ATOM 353 O PRO A 26 41.652 -1.401 2.495 1.00 1.00 O ATOM 354 CB PRO A 26 38.978 -3.112 3.596 1.00 1.00 C ATOM 355 CG PRO A 26 37.962 -3.236 4.675 1.00 1.00 C ATOM 356 CD PRO A 26 37.970 -1.901 5.409 1.00 1.00 C ATOM 0 HA PRO A 26 40.933 -2.608 4.500 1.00 1.00 H new ATOM 0 HB2 PRO A 26 38.523 -2.749 2.675 1.00 1.00 H new ATOM 0 HB3 PRO A 26 39.424 -4.081 3.370 1.00 1.00 H new ATOM 0 HG2 PRO A 26 36.976 -3.449 4.261 1.00 1.00 H new ATOM 0 HG3 PRO A 26 38.207 -4.055 5.351 1.00 1.00 H new ATOM 0 HD2 PRO A 26 37.194 -1.234 5.033 1.00 1.00 H new ATOM 0 HD3 PRO A 26 37.788 -2.031 6.476 1.00 1.00 H new ATOM 364 N VAL A 27 39.685 -0.306 2.514 1.00 1.00 N ATOM 365 CA VAL A 27 40.044 0.629 1.431 1.00 1.00 C ATOM 366 C VAL A 27 41.122 1.593 1.921 1.00 1.00 C ATOM 367 O VAL A 27 42.059 1.942 1.191 1.00 1.00 O ATOM 368 CB VAL A 27 38.810 1.400 0.986 1.00 1.00 C ATOM 369 CG1 VAL A 27 39.251 2.495 0.037 1.00 1.00 C ATOM 370 CG2 VAL A 27 37.855 0.451 0.260 1.00 1.00 C ATOM 0 H VAL A 27 38.747 -0.168 2.890 1.00 1.00 H new ATOM 0 HA VAL A 27 40.432 0.067 0.581 1.00 1.00 H new ATOM 0 HB VAL A 27 38.301 1.831 1.848 1.00 1.00 H new ATOM 0 HG11 VAL A 27 38.381 3.061 -0.295 1.00 1.00 H new ATOM 0 HG12 VAL A 27 39.944 3.162 0.549 1.00 1.00 H new ATOM 0 HG13 VAL A 27 39.746 2.051 -0.827 1.00 1.00 H new ATOM 0 HG21 VAL A 27 36.970 1.000 -0.060 1.00 1.00 H new ATOM 0 HG22 VAL A 27 38.355 0.028 -0.612 1.00 1.00 H new ATOM 0 HG23 VAL A 27 37.559 -0.353 0.934 1.00 1.00 H new ATOM 380 N LEU A 28 40.942 2.052 3.158 1.00 1.00 N ATOM 381 CA LEU A 28 41.877 3.004 3.766 1.00 1.00 C ATOM 382 C LEU A 28 43.273 2.396 3.911 1.00 1.00 C ATOM 383 O LEU A 28 44.267 3.063 3.654 1.00 1.00 O ATOM 384 CB LEU A 28 41.397 3.438 5.158 1.00 1.00 C ATOM 385 CG LEU A 28 40.150 4.306 5.014 1.00 1.00 C ATOM 386 CD1 LEU A 28 39.526 4.556 6.386 1.00 1.00 C ATOM 387 CD2 LEU A 28 40.527 5.655 4.392 1.00 1.00 C ATOM 0 H LEU A 28 40.162 1.783 3.758 1.00 1.00 H new ATOM 0 HA LEU A 28 41.920 3.868 3.102 1.00 1.00 H new ATOM 0 HB2 LEU A 28 41.176 2.562 5.768 1.00 1.00 H new ATOM 0 HB3 LEU A 28 42.183 3.993 5.670 1.00 1.00 H new ATOM 0 HG LEU A 28 39.436 3.788 4.374 1.00 1.00 H new ATOM 0 HD11 LEU A 28 38.637 5.176 6.274 1.00 1.00 H new ATOM 0 HD12 LEU A 28 39.250 3.604 6.839 1.00 1.00 H new ATOM 0 HD13 LEU A 28 40.246 5.067 7.026 1.00 1.00 H new ATOM 0 HD21 LEU A 28 39.634 6.271 4.291 1.00 1.00 H new ATOM 0 HD22 LEU A 28 41.248 6.163 5.033 1.00 1.00 H new ATOM 0 HD23 LEU A 28 40.968 5.492 3.409 1.00 1.00 H new ATOM 399 N GLN A 29 43.334 1.128 4.335 1.00 1.00 N ATOM 400 CA GLN A 29 44.631 0.452 4.522 1.00 1.00 C ATOM 401 C GLN A 29 45.387 0.264 3.195 1.00 1.00 C ATOM 402 O GLN A 29 46.616 0.404 3.142 1.00 1.00 O ATOM 403 CB GLN A 29 44.398 -0.910 5.179 1.00 1.00 C ATOM 404 CG GLN A 29 43.930 -0.703 6.630 1.00 1.00 C ATOM 405 CD GLN A 29 43.641 -2.053 7.283 1.00 1.00 C ATOM 406 OE1 GLN A 29 43.862 -3.093 6.666 1.00 1.00 O ATOM 407 NE2 GLN A 29 43.151 -2.104 8.493 1.00 1.00 N ATOM 0 H GLN A 29 42.519 0.555 4.553 1.00 1.00 H new ATOM 0 HA GLN A 29 45.248 1.084 5.161 1.00 1.00 H new ATOM 0 HB2 GLN A 29 43.650 -1.472 4.620 1.00 1.00 H new ATOM 0 HB3 GLN A 29 45.316 -1.497 5.161 1.00 1.00 H new ATOM 0 HG2 GLN A 29 44.696 -0.173 7.196 1.00 1.00 H new ATOM 0 HG3 GLN A 29 43.034 -0.082 6.647 1.00 1.00 H new ATOM 0 HE21 GLN A 29 42.967 -1.242 9.006 1.00 1.00 H new ATOM 0 HE22 GLN A 29 42.952 -3.006 8.925 1.00 1.00 H new ATOM 416 N GLU A 30 44.663 -0.090 2.136 1.00 1.00 N ATOM 417 CA GLU A 30 45.297 -0.326 0.843 1.00 1.00 C ATOM 418 C GLU A 30 45.871 0.965 0.259 1.00 1.00 C ATOM 419 O GLU A 30 46.976 0.957 -0.268 1.00 1.00 O ATOM 420 CB GLU A 30 44.287 -0.919 -0.143 1.00 1.00 C ATOM 421 CG GLU A 30 43.887 -2.340 0.294 1.00 1.00 C ATOM 422 CD GLU A 30 45.084 -3.301 0.270 1.00 1.00 C ATOM 423 OE1 GLU A 30 46.035 -3.035 -0.449 1.00 1.00 O ATOM 424 OE2 GLU A 30 45.040 -4.279 1.002 1.00 1.00 O ATOM 0 H GLU A 30 43.651 -0.218 2.147 1.00 1.00 H new ATOM 0 HA GLU A 30 46.114 -1.030 1.002 1.00 1.00 H new ATOM 0 HB2 GLU A 30 43.402 -0.284 -0.194 1.00 1.00 H new ATOM 0 HB3 GLU A 30 44.718 -0.946 -1.144 1.00 1.00 H new ATOM 0 HG2 GLU A 30 43.468 -2.307 1.299 1.00 1.00 H new ATOM 0 HG3 GLU A 30 43.105 -2.717 -0.365 1.00 1.00 H new ATOM 431 N ILE A 31 45.145 2.071 0.355 1.00 1.00 N ATOM 432 CA ILE A 31 45.657 3.331 -0.181 1.00 1.00 C ATOM 433 C ILE A 31 46.852 3.797 0.646 1.00 1.00 C ATOM 434 O ILE A 31 47.853 4.262 0.092 1.00 1.00 O ATOM 435 CB ILE A 31 44.550 4.396 -0.226 1.00 1.00 C ATOM 436 CG1 ILE A 31 43.993 4.635 1.175 1.00 1.00 C ATOM 437 CG2 ILE A 31 43.422 3.923 -1.147 1.00 1.00 C ATOM 438 CD1 ILE A 31 42.976 5.776 1.134 1.00 1.00 C ATOM 0 H ILE A 31 44.223 2.126 0.787 1.00 1.00 H new ATOM 0 HA ILE A 31 45.992 3.172 -1.206 1.00 1.00 H new ATOM 0 HB ILE A 31 44.970 5.327 -0.607 1.00 1.00 H new ATOM 0 HG12 ILE A 31 43.521 3.727 1.550 1.00 1.00 H new ATOM 0 HG13 ILE A 31 44.803 4.880 1.862 1.00 1.00 H new ATOM 0 HG21 ILE A 31 42.637 4.679 -1.179 1.00 1.00 H new ATOM 0 HG22 ILE A 31 43.814 3.765 -2.152 1.00 1.00 H new ATOM 0 HG23 ILE A 31 43.010 2.988 -0.767 1.00 1.00 H new ATOM 0 HD11 ILE A 31 42.579 5.946 2.135 1.00 1.00 H new ATOM 0 HD12 ILE A 31 43.462 6.684 0.778 1.00 1.00 H new ATOM 0 HD13 ILE A 31 42.161 5.513 0.460 1.00 1.00 H new ATOM 450 N TYR A 32 46.762 3.669 1.966 1.00 1.00 N ATOM 451 CA TYR A 32 47.864 4.083 2.824 1.00 1.00 C ATOM 452 C TYR A 32 49.130 3.301 2.481 1.00 1.00 C ATOM 453 O TYR A 32 50.204 3.881 2.325 1.00 1.00 O ATOM 454 CB TYR A 32 47.495 3.852 4.291 1.00 1.00 C ATOM 455 CG TYR A 32 48.672 4.193 5.171 1.00 1.00 C ATOM 456 CD1 TYR A 32 48.973 5.529 5.442 1.00 1.00 C ATOM 457 CD2 TYR A 32 49.467 3.170 5.713 1.00 1.00 C ATOM 458 CE1 TYR A 32 50.068 5.850 6.251 1.00 1.00 C ATOM 459 CE2 TYR A 32 50.565 3.491 6.522 1.00 1.00 C ATOM 460 CZ TYR A 32 50.865 4.831 6.791 1.00 1.00 C ATOM 461 OH TYR A 32 51.947 5.152 7.586 1.00 1.00 O ATOM 0 H TYR A 32 45.953 3.289 2.457 1.00 1.00 H new ATOM 0 HA TYR A 32 48.053 5.144 2.661 1.00 1.00 H new ATOM 0 HB2 TYR A 32 46.636 4.467 4.561 1.00 1.00 H new ATOM 0 HB3 TYR A 32 47.204 2.813 4.443 1.00 1.00 H new ATOM 0 HD1 TYR A 32 48.360 6.315 5.027 1.00 1.00 H new ATOM 0 HD2 TYR A 32 49.232 2.136 5.506 1.00 1.00 H new ATOM 0 HE1 TYR A 32 50.300 6.884 6.460 1.00 1.00 H new ATOM 0 HE2 TYR A 32 51.179 2.705 6.937 1.00 1.00 H new ATOM 0 HH TYR A 32 52.392 4.330 7.880 1.00 1.00 H new ATOM 471 N LEU A 33 48.999 1.986 2.352 1.00 1.00 N ATOM 472 CA LEU A 33 50.145 1.146 2.018 1.00 1.00 C ATOM 473 C LEU A 33 50.699 1.527 0.644 1.00 1.00 C ATOM 474 O LEU A 33 51.911 1.640 0.457 1.00 1.00 O ATOM 475 CB LEU A 33 49.722 -0.333 2.012 1.00 1.00 C ATOM 476 CG LEU A 33 50.909 -1.234 1.639 1.00 1.00 C ATOM 477 CD1 LEU A 33 52.064 -1.013 2.617 1.00 1.00 C ATOM 478 CD2 LEU A 33 50.475 -2.700 1.707 1.00 1.00 C ATOM 0 H LEU A 33 48.121 1.481 2.472 1.00 1.00 H new ATOM 0 HA LEU A 33 50.922 1.298 2.767 1.00 1.00 H new ATOM 0 HB2 LEU A 33 49.342 -0.612 2.995 1.00 1.00 H new ATOM 0 HB3 LEU A 33 48.909 -0.481 1.302 1.00 1.00 H new ATOM 0 HG LEU A 33 51.237 -0.987 0.629 1.00 1.00 H new ATOM 0 HD11 LEU A 33 52.900 -1.656 2.344 1.00 1.00 H new ATOM 0 HD12 LEU A 33 52.380 0.029 2.577 1.00 1.00 H new ATOM 0 HD13 LEU A 33 51.736 -1.254 3.628 1.00 1.00 H new ATOM 0 HD21 LEU A 33 51.316 -3.341 1.443 1.00 1.00 H new ATOM 0 HD22 LEU A 33 50.144 -2.935 2.719 1.00 1.00 H new ATOM 0 HD23 LEU A 33 49.656 -2.870 1.008 1.00 1.00 H new ATOM 490 N SER A 34 49.796 1.744 -0.307 1.00 1.00 N ATOM 491 CA SER A 34 50.185 2.136 -1.657 1.00 1.00 C ATOM 492 C SER A 34 50.891 3.487 -1.644 1.00 1.00 C ATOM 493 O SER A 34 51.889 3.684 -2.337 1.00 1.00 O ATOM 494 CB SER A 34 48.949 2.212 -2.552 1.00 1.00 C ATOM 495 OG SER A 34 49.273 2.911 -3.748 1.00 1.00 O ATOM 0 H SER A 34 48.790 1.655 -0.168 1.00 1.00 H new ATOM 0 HA SER A 34 50.873 1.387 -2.048 1.00 1.00 H new ATOM 0 HB2 SER A 34 48.596 1.208 -2.789 1.00 1.00 H new ATOM 0 HB3 SER A 34 48.139 2.720 -2.029 1.00 1.00 H new ATOM 0 HG SER A 34 48.481 2.959 -4.324 1.00 1.00 H new ATOM 501 N GLY A 35 50.364 4.423 -0.864 1.00 1.00 N ATOM 502 CA GLY A 35 50.954 5.750 -0.787 1.00 1.00 C ATOM 503 C GLY A 35 52.363 5.703 -0.209 1.00 1.00 C ATOM 504 O GLY A 35 53.237 6.440 -0.653 1.00 1.00 O ATOM 0 H GLY A 35 49.537 4.288 -0.282 1.00 1.00 H new ATOM 0 HA2 GLY A 35 50.983 6.195 -1.782 1.00 1.00 H new ATOM 0 HA3 GLY A 35 50.327 6.392 -0.168 1.00 1.00 H new ATOM 508 N LEU A 36 52.598 4.847 0.775 1.00 1.00 N ATOM 509 CA LEU A 36 53.918 4.749 1.385 1.00 1.00 C ATOM 510 C LEU A 36 54.948 4.324 0.345 1.00 1.00 C ATOM 511 O LEU A 36 56.051 4.870 0.296 1.00 1.00 O ATOM 512 CB LEU A 36 53.882 3.733 2.533 1.00 1.00 C ATOM 513 CG LEU A 36 55.269 3.598 3.177 1.00 1.00 C ATOM 514 CD1 LEU A 36 55.745 4.960 3.685 1.00 1.00 C ATOM 515 CD2 LEU A 36 55.182 2.625 4.353 1.00 1.00 C ATOM 0 H LEU A 36 51.899 4.215 1.166 1.00 1.00 H new ATOM 0 HA LEU A 36 54.201 5.725 1.778 1.00 1.00 H new ATOM 0 HB2 LEU A 36 53.156 4.048 3.282 1.00 1.00 H new ATOM 0 HB3 LEU A 36 53.553 2.764 2.158 1.00 1.00 H new ATOM 0 HG LEU A 36 55.975 3.226 2.435 1.00 1.00 H new ATOM 0 HD11 LEU A 36 56.730 4.855 4.140 1.00 1.00 H new ATOM 0 HD12 LEU A 36 55.804 5.659 2.851 1.00 1.00 H new ATOM 0 HD13 LEU A 36 55.041 5.338 4.426 1.00 1.00 H new ATOM 0 HD21 LEU A 36 56.164 2.524 4.815 1.00 1.00 H new ATOM 0 HD22 LEU A 36 54.472 3.005 5.088 1.00 1.00 H new ATOM 0 HD23 LEU A 36 54.848 1.651 3.995 1.00 1.00 H new ATOM 527 N ARG A 37 54.585 3.364 -0.497 1.00 1.00 N ATOM 528 CA ARG A 37 55.498 2.900 -1.534 1.00 1.00 C ATOM 529 C ARG A 37 55.829 4.041 -2.497 1.00 1.00 C ATOM 530 O ARG A 37 56.989 4.237 -2.868 1.00 1.00 O ATOM 531 CB ARG A 37 54.865 1.738 -2.305 1.00 1.00 C ATOM 532 CG ARG A 37 55.861 1.188 -3.332 1.00 1.00 C ATOM 533 CD ARG A 37 55.214 0.033 -4.096 1.00 1.00 C ATOM 534 NE ARG A 37 56.190 -0.600 -4.975 1.00 1.00 N ATOM 535 CZ ARG A 37 56.403 -0.146 -6.206 1.00 1.00 C ATOM 536 NH1 ARG A 37 55.740 0.891 -6.645 1.00 1.00 N ATOM 537 NH2 ARG A 37 57.280 -0.732 -6.973 1.00 1.00 N ATOM 0 H ARG A 37 53.678 2.897 -0.484 1.00 1.00 H new ATOM 0 HA ARG A 37 56.419 2.558 -1.062 1.00 1.00 H new ATOM 0 HB2 ARG A 37 54.570 0.949 -1.613 1.00 1.00 H new ATOM 0 HB3 ARG A 37 53.959 2.075 -2.809 1.00 1.00 H new ATOM 0 HG2 ARG A 37 56.159 1.975 -4.024 1.00 1.00 H new ATOM 0 HG3 ARG A 37 56.766 0.845 -2.830 1.00 1.00 H new ATOM 0 HD2 ARG A 37 54.817 -0.700 -3.394 1.00 1.00 H new ATOM 0 HD3 ARG A 37 54.372 0.402 -4.682 1.00 1.00 H new ATOM 0 HE ARG A 37 56.719 -1.405 -4.639 1.00 1.00 H new ATOM 0 HH11 ARG A 37 55.058 1.353 -6.043 1.00 1.00 H new ATOM 0 HH12 ARG A 37 55.904 1.239 -7.590 1.00 1.00 H new ATOM 0 HH21 ARG A 37 57.802 -1.538 -6.628 1.00 1.00 H new ATOM 0 HH22 ARG A 37 57.444 -0.385 -7.918 1.00 1.00 H new ATOM 551 N SER A 38 54.809 4.803 -2.876 1.00 1.00 N ATOM 552 CA SER A 38 54.991 5.947 -3.770 1.00 1.00 C ATOM 553 C SER A 38 55.738 7.083 -3.067 1.00 1.00 C ATOM 554 O SER A 38 56.527 7.801 -3.686 1.00 1.00 O ATOM 555 CB SER A 38 53.630 6.446 -4.256 1.00 1.00 C ATOM 556 OG SER A 38 52.891 5.355 -4.781 1.00 1.00 O ATOM 0 H SER A 38 53.845 4.651 -2.579 1.00 1.00 H new ATOM 0 HA SER A 38 55.588 5.622 -4.622 1.00 1.00 H new ATOM 0 HB2 SER A 38 53.084 6.908 -3.433 1.00 1.00 H new ATOM 0 HB3 SER A 38 53.762 7.212 -5.020 1.00 1.00 H new ATOM 0 HG SER A 38 52.504 4.837 -4.044 1.00 1.00 H new ATOM 562 N TRP A 39 55.469 7.245 -1.775 1.00 1.00 N ATOM 563 CA TRP A 39 56.097 8.303 -0.987 1.00 1.00 C ATOM 564 C TRP A 39 57.616 8.185 -0.990 1.00 1.00 C ATOM 565 O TRP A 39 58.314 9.194 -0.959 1.00 1.00 O ATOM 566 CB TRP A 39 55.592 8.267 0.454 1.00 1.00 C ATOM 567 CG TRP A 39 54.180 8.775 0.533 1.00 1.00 C ATOM 568 CD1 TRP A 39 53.361 9.028 -0.522 1.00 1.00 C ATOM 569 CD2 TRP A 39 53.417 9.114 1.725 1.00 1.00 C ATOM 570 NE1 TRP A 39 52.146 9.489 -0.044 1.00 1.00 N ATOM 571 CE2 TRP A 39 52.134 9.564 1.334 1.00 1.00 C ATOM 572 CE3 TRP A 39 53.716 9.072 3.099 1.00 1.00 C ATOM 573 CZ2 TRP A 39 51.180 9.958 2.274 1.00 1.00 C ATOM 574 CZ3 TRP A 39 52.759 9.468 4.048 1.00 1.00 C ATOM 575 CH2 TRP A 39 51.495 9.911 3.636 1.00 1.00 C ATOM 0 H TRP A 39 54.821 6.658 -1.251 1.00 1.00 H new ATOM 0 HA TRP A 39 55.825 9.252 -1.449 1.00 1.00 H new ATOM 0 HB2 TRP A 39 55.639 7.247 0.836 1.00 1.00 H new ATOM 0 HB3 TRP A 39 56.239 8.875 1.087 1.00 1.00 H new ATOM 0 HD1 TRP A 39 53.616 8.892 -1.563 1.00 1.00 H new ATOM 0 HE1 TRP A 39 51.356 9.742 -0.638 1.00 1.00 H new ATOM 0 HE3 TRP A 39 54.688 8.733 3.426 1.00 1.00 H new ATOM 0 HZ2 TRP A 39 50.206 10.296 1.952 1.00 1.00 H new ATOM 0 HZ3 TRP A 39 52.999 9.431 5.100 1.00 1.00 H new ATOM 0 HH2 TRP A 39 50.764 10.216 4.370 1.00 1.00 H new ATOM 586 N LYS A 40 58.132 6.964 -1.015 1.00 1.00 N ATOM 587 CA LYS A 40 59.579 6.778 -1.005 1.00 1.00 C ATOM 588 C LYS A 40 60.209 7.536 -2.170 1.00 1.00 C ATOM 589 O LYS A 40 61.255 8.162 -1.993 1.00 1.00 O ATOM 590 CB LYS A 40 59.914 5.289 -1.117 1.00 1.00 C ATOM 591 CG LYS A 40 61.427 5.094 -0.980 1.00 1.00 C ATOM 592 CD LYS A 40 61.757 3.600 -1.033 1.00 1.00 C ATOM 593 CE LYS A 40 63.267 3.408 -0.885 1.00 1.00 C ATOM 594 NZ LYS A 40 63.587 1.954 -0.933 1.00 1.00 N ATOM 0 H LYS A 40 57.585 6.103 -1.042 1.00 1.00 H new ATOM 0 HA LYS A 40 59.979 7.165 -0.068 1.00 1.00 H new ATOM 0 HB2 LYS A 40 59.393 4.729 -0.341 1.00 1.00 H new ATOM 0 HB3 LYS A 40 59.572 4.899 -2.076 1.00 1.00 H new ATOM 0 HG2 LYS A 40 61.946 5.620 -1.781 1.00 1.00 H new ATOM 0 HG3 LYS A 40 61.776 5.521 -0.040 1.00 1.00 H new ATOM 0 HD2 LYS A 40 61.232 3.072 -0.237 1.00 1.00 H new ATOM 0 HD3 LYS A 40 61.416 3.174 -1.977 1.00 1.00 H new ATOM 0 HE2 LYS A 40 63.792 3.934 -1.683 1.00 1.00 H new ATOM 0 HE3 LYS A 40 63.609 3.836 0.057 1.00 1.00 H new ATOM 0 HZ1 LYS A 40 64.614 1.821 -0.833 1.00 1.00 H new ATOM 0 HZ2 LYS A 40 63.097 1.465 -0.157 1.00 1.00 H new ATOM 0 HZ3 LYS A 40 63.274 1.560 -1.843 1.00 1.00 H new ATOM 608 N ARG A 41 59.611 7.495 -3.352 1.00 1.00 N ATOM 609 CA ARG A 41 60.203 8.211 -4.479 1.00 1.00 C ATOM 610 C ARG A 41 60.269 9.710 -4.183 1.00 1.00 C ATOM 611 O ARG A 41 61.271 10.385 -4.424 1.00 1.00 O ATOM 612 CB ARG A 41 59.372 7.965 -5.743 1.00 1.00 C ATOM 613 CG ARG A 41 60.038 8.639 -6.947 1.00 1.00 C ATOM 614 CD ARG A 41 59.192 8.393 -8.197 1.00 1.00 C ATOM 615 NE ARG A 41 59.213 6.978 -8.549 1.00 1.00 N ATOM 616 CZ ARG A 41 58.534 6.522 -9.594 1.00 1.00 C ATOM 617 NH1 ARG A 41 57.825 7.343 -10.321 1.00 1.00 N ATOM 618 NH2 ARG A 41 58.574 5.253 -9.893 1.00 1.00 N ATOM 0 H ARG A 41 58.747 6.993 -3.556 1.00 1.00 H new ATOM 0 HA ARG A 41 61.216 7.842 -4.636 1.00 1.00 H new ATOM 0 HB2 ARG A 41 59.276 6.894 -5.922 1.00 1.00 H new ATOM 0 HB3 ARG A 41 58.364 8.357 -5.608 1.00 1.00 H new ATOM 0 HG2 ARG A 41 60.140 9.709 -6.768 1.00 1.00 H new ATOM 0 HG3 ARG A 41 61.043 8.242 -7.090 1.00 1.00 H new ATOM 0 HD2 ARG A 41 58.166 8.716 -8.020 1.00 1.00 H new ATOM 0 HD3 ARG A 41 59.575 8.987 -9.027 1.00 1.00 H new ATOM 0 HE ARG A 41 59.758 6.328 -7.983 1.00 1.00 H new ATOM 0 HH11 ARG A 41 57.793 8.335 -10.086 1.00 1.00 H new ATOM 0 HH12 ARG A 41 57.303 6.992 -11.124 1.00 1.00 H new ATOM 0 HH21 ARG A 41 59.127 4.612 -9.324 1.00 1.00 H new ATOM 0 HH22 ARG A 41 58.052 4.902 -10.696 1.00 1.00 H new ATOM 632 N HIS A 42 59.156 10.189 -3.639 1.00 1.00 N ATOM 633 CA HIS A 42 59.005 11.594 -3.262 1.00 1.00 C ATOM 634 C HIS A 42 59.846 11.922 -2.028 1.00 1.00 C ATOM 635 O HIS A 42 60.365 13.031 -1.888 1.00 1.00 O ATOM 636 CB HIS A 42 57.534 11.905 -2.977 1.00 1.00 C ATOM 637 CG HIS A 42 56.740 11.774 -4.246 1.00 1.00 C ATOM 638 ND1 HIS A 42 56.816 12.708 -5.265 1.00 1.00 N ATOM 639 CD2 HIS A 42 55.845 10.825 -4.673 1.00 1.00 C ATOM 640 CE1 HIS A 42 55.988 12.308 -6.246 1.00 1.00 C ATOM 641 NE2 HIS A 42 55.371 11.165 -5.937 1.00 1.00 N ATOM 0 H HIS A 42 58.333 9.618 -3.446 1.00 1.00 H new ATOM 0 HA HIS A 42 59.353 12.207 -4.093 1.00 1.00 H new ATOM 0 HB2 HIS A 42 57.147 11.222 -2.221 1.00 1.00 H new ATOM 0 HB3 HIS A 42 57.435 12.914 -2.576 1.00 1.00 H new ATOM 0 HD2 HIS A 42 55.553 9.948 -4.114 1.00 1.00 H new ATOM 0 HE1 HIS A 42 55.840 12.846 -7.171 1.00 1.00 H new ATOM 0 HE2 HIS A 42 54.697 10.651 -6.505 1.00 1.00 H new ATOM 649 N LEU A 43 59.961 10.944 -1.138 1.00 1.00 N ATOM 650 CA LEU A 43 60.719 11.072 0.105 1.00 1.00 C ATOM 651 C LEU A 43 62.214 10.845 -0.140 1.00 1.00 C ATOM 652 O LEU A 43 63.025 11.009 0.767 1.00 1.00 O ATOM 653 CB LEU A 43 60.204 10.068 1.145 1.00 1.00 C ATOM 654 CG LEU A 43 60.589 10.508 2.565 1.00 1.00 C ATOM 655 CD1 LEU A 43 59.841 11.792 2.949 1.00 1.00 C ATOM 656 CD2 LEU A 43 60.216 9.399 3.549 1.00 1.00 C ATOM 0 H LEU A 43 59.527 10.029 -1.258 1.00 1.00 H new ATOM 0 HA LEU A 43 60.581 12.085 0.484 1.00 1.00 H new ATOM 0 HB2 LEU A 43 59.120 9.981 1.068 1.00 1.00 H new ATOM 0 HB3 LEU A 43 60.618 9.081 0.940 1.00 1.00 H new ATOM 0 HG LEU A 43 61.662 10.699 2.599 1.00 1.00 H new ATOM 0 HD11 LEU A 43 60.125 12.091 3.958 1.00 1.00 H new ATOM 0 HD12 LEU A 43 60.099 12.587 2.249 1.00 1.00 H new ATOM 0 HD13 LEU A 43 58.767 11.612 2.913 1.00 1.00 H new ATOM 0 HD21 LEU A 43 60.486 9.704 4.560 1.00 1.00 H new ATOM 0 HD22 LEU A 43 59.143 9.215 3.500 1.00 1.00 H new ATOM 0 HD23 LEU A 43 60.753 8.487 3.289 1.00 1.00 H new ATOM 668 N SER A 44 62.578 10.416 -1.345 1.00 1.00 N ATOM 669 CA SER A 44 63.972 10.107 -1.653 1.00 1.00 C ATOM 670 C SER A 44 64.921 11.245 -1.279 1.00 1.00 C ATOM 671 O SER A 44 66.001 10.983 -0.752 1.00 1.00 O ATOM 672 CB SER A 44 64.117 9.813 -3.147 1.00 1.00 C ATOM 673 OG SER A 44 63.694 10.948 -3.894 1.00 1.00 O ATOM 0 H SER A 44 61.931 10.275 -2.121 1.00 1.00 H new ATOM 0 HA SER A 44 64.244 9.235 -1.058 1.00 1.00 H new ATOM 0 HB2 SER A 44 65.154 9.574 -3.383 1.00 1.00 H new ATOM 0 HB3 SER A 44 63.520 8.942 -3.417 1.00 1.00 H new ATOM 0 HG SER A 44 62.938 10.700 -4.466 1.00 1.00 H new ATOM 679 N ARG A 45 64.566 12.495 -1.561 1.00 1.00 N ATOM 680 CA ARG A 45 65.486 13.586 -1.240 1.00 1.00 C ATOM 681 C ARG A 45 65.771 13.634 0.260 1.00 1.00 C ATOM 682 O ARG A 45 66.928 13.682 0.676 1.00 1.00 O ATOM 683 CB ARG A 45 64.887 14.922 -1.687 1.00 1.00 C ATOM 684 CG ARG A 45 64.909 15.006 -3.216 1.00 1.00 C ATOM 685 CD ARG A 45 64.267 16.321 -3.666 1.00 1.00 C ATOM 686 NE ARG A 45 64.275 16.413 -5.124 1.00 1.00 N ATOM 687 CZ ARG A 45 65.293 16.970 -5.777 1.00 1.00 C ATOM 688 NH1 ARG A 45 66.323 17.429 -5.121 1.00 1.00 N ATOM 689 NH2 ARG A 45 65.263 17.051 -7.079 1.00 1.00 N ATOM 0 H ARG A 45 63.685 12.774 -1.994 1.00 1.00 H new ATOM 0 HA ARG A 45 66.423 13.408 -1.769 1.00 1.00 H new ATOM 0 HB2 ARG A 45 63.864 15.014 -1.322 1.00 1.00 H new ATOM 0 HB3 ARG A 45 65.454 15.748 -1.259 1.00 1.00 H new ATOM 0 HG2 ARG A 45 65.935 14.947 -3.579 1.00 1.00 H new ATOM 0 HG3 ARG A 45 64.370 14.161 -3.645 1.00 1.00 H new ATOM 0 HD2 ARG A 45 63.243 16.380 -3.296 1.00 1.00 H new ATOM 0 HD3 ARG A 45 64.809 17.164 -3.238 1.00 1.00 H new ATOM 0 HE ARG A 45 63.485 16.043 -5.652 1.00 1.00 H new ATOM 0 HH11 ARG A 45 66.351 17.362 -4.104 1.00 1.00 H new ATOM 0 HH12 ARG A 45 67.101 17.855 -5.626 1.00 1.00 H new ATOM 0 HH21 ARG A 45 64.461 16.688 -7.594 1.00 1.00 H new ATOM 0 HH22 ARG A 45 66.042 17.477 -7.582 1.00 1.00 H new ATOM 703 N PHE A 46 64.718 13.617 1.069 1.00 1.00 N ATOM 704 CA PHE A 46 64.869 13.656 2.520 1.00 1.00 C ATOM 705 C PHE A 46 65.524 12.378 3.030 1.00 1.00 C ATOM 706 O PHE A 46 66.350 12.407 3.942 1.00 1.00 O ATOM 707 CB PHE A 46 63.501 13.826 3.184 1.00 1.00 C ATOM 708 CG PHE A 46 62.963 15.205 2.883 1.00 1.00 C ATOM 709 CD1 PHE A 46 63.319 16.288 3.695 1.00 1.00 C ATOM 710 CD2 PHE A 46 62.106 15.398 1.792 1.00 1.00 C ATOM 711 CE1 PHE A 46 62.816 17.565 3.418 1.00 1.00 C ATOM 712 CE2 PHE A 46 61.605 16.676 1.515 1.00 1.00 C ATOM 713 CZ PHE A 46 61.960 17.759 2.327 1.00 1.00 C ATOM 0 H PHE A 46 63.751 13.577 0.746 1.00 1.00 H new ATOM 0 HA PHE A 46 65.507 14.503 2.773 1.00 1.00 H new ATOM 0 HB2 PHE A 46 62.810 13.067 2.818 1.00 1.00 H new ATOM 0 HB3 PHE A 46 63.588 13.685 4.261 1.00 1.00 H new ATOM 0 HD1 PHE A 46 63.981 16.139 4.535 1.00 1.00 H new ATOM 0 HD2 PHE A 46 61.832 14.562 1.165 1.00 1.00 H new ATOM 0 HE1 PHE A 46 63.088 18.400 4.046 1.00 1.00 H new ATOM 0 HE2 PHE A 46 60.944 16.826 0.674 1.00 1.00 H new ATOM 0 HZ PHE A 46 61.574 18.744 2.112 1.00 1.00 H new ATOM 723 N TRP A 47 65.137 11.258 2.438 1.00 1.00 N ATOM 724 CA TRP A 47 65.672 9.962 2.834 1.00 1.00 C ATOM 725 C TRP A 47 67.179 9.888 2.603 1.00 1.00 C ATOM 726 O TRP A 47 67.919 9.356 3.430 1.00 1.00 O ATOM 727 CB TRP A 47 64.974 8.848 2.054 1.00 1.00 C ATOM 728 CG TRP A 47 65.426 7.519 2.569 1.00 1.00 C ATOM 729 CD1 TRP A 47 64.874 6.867 3.618 1.00 1.00 C ATOM 730 CD2 TRP A 47 66.505 6.668 2.082 1.00 1.00 C ATOM 731 NE1 TRP A 47 65.545 5.672 3.805 1.00 1.00 N ATOM 732 CE2 TRP A 47 66.559 5.504 2.884 1.00 1.00 C ATOM 733 CE3 TRP A 47 67.433 6.792 1.032 1.00 1.00 C ATOM 734 CZ2 TRP A 47 67.499 4.500 2.654 1.00 1.00 C ATOM 735 CZ3 TRP A 47 68.382 5.783 0.798 1.00 1.00 C ATOM 736 CH2 TRP A 47 68.414 4.639 1.608 1.00 1.00 C ATOM 0 H TRP A 47 64.454 11.220 1.681 1.00 1.00 H new ATOM 0 HA TRP A 47 65.485 9.834 3.900 1.00 1.00 H new ATOM 0 HB2 TRP A 47 63.893 8.941 2.156 1.00 1.00 H new ATOM 0 HB3 TRP A 47 65.203 8.935 0.992 1.00 1.00 H new ATOM 0 HD1 TRP A 47 64.045 7.222 4.212 1.00 1.00 H new ATOM 0 HE1 TRP A 47 65.318 4.997 4.535 1.00 1.00 H new ATOM 0 HE3 TRP A 47 67.416 7.669 0.402 1.00 1.00 H new ATOM 0 HZ2 TRP A 47 67.519 3.621 3.281 1.00 1.00 H new ATOM 0 HZ3 TRP A 47 69.091 5.889 -0.010 1.00 1.00 H new ATOM 0 HH2 TRP A 47 69.145 3.866 1.423 1.00 1.00 H new ATOM 747 N ASN A 48 67.629 10.435 1.475 1.00 1.00 N ATOM 748 CA ASN A 48 69.051 10.431 1.151 1.00 1.00 C ATOM 749 C ASN A 48 69.836 11.226 2.188 1.00 1.00 C ATOM 750 O ASN A 48 70.924 10.824 2.600 1.00 1.00 O ATOM 751 CB ASN A 48 69.277 11.047 -0.233 1.00 1.00 C ATOM 752 CG ASN A 48 68.890 10.052 -1.323 1.00 1.00 C ATOM 753 OD1 ASN A 48 68.797 8.854 -1.066 1.00 1.00 O ATOM 754 ND2 ASN A 48 68.657 10.483 -2.532 1.00 1.00 N ATOM 0 H ASN A 48 67.035 10.882 0.777 1.00 1.00 H new ATOM 0 HA ASN A 48 69.399 9.398 1.152 1.00 1.00 H new ATOM 0 HB2 ASN A 48 68.686 11.957 -0.335 1.00 1.00 H new ATOM 0 HB3 ASN A 48 70.323 11.332 -0.346 1.00 1.00 H new ATOM 0 HD21 ASN A 48 68.397 9.825 -3.267 1.00 1.00 H new ATOM 0 HD22 ASN A 48 68.735 11.478 -2.743 1.00 1.00 H new ATOM 761 N ASP A 49 69.278 12.359 2.603 1.00 1.00 N ATOM 762 CA ASP A 49 69.935 13.204 3.591 1.00 1.00 C ATOM 763 C ASP A 49 69.426 12.885 4.994 1.00 1.00 C ATOM 764 O ASP A 49 68.274 13.166 5.325 1.00 1.00 O ATOM 765 CB ASP A 49 69.676 14.678 3.273 1.00 1.00 C ATOM 766 CG ASP A 49 70.614 15.562 4.089 1.00 1.00 C ATOM 767 OD1 ASP A 49 71.641 15.065 4.519 1.00 1.00 O ATOM 768 OD2 ASP A 49 70.290 16.724 4.272 1.00 1.00 O ATOM 0 H ASP A 49 68.379 12.710 2.273 1.00 1.00 H new ATOM 0 HA ASP A 49 71.007 13.008 3.554 1.00 1.00 H new ATOM 0 HB2 ASP A 49 69.826 14.860 2.209 1.00 1.00 H new ATOM 0 HB3 ASP A 49 68.639 14.930 3.497 1.00 1.00 H new ATOM 773 N PHE A 50 70.292 12.297 5.813 1.00 1.00 N ATOM 774 CA PHE A 50 69.919 11.943 7.178 1.00 1.00 C ATOM 775 C PHE A 50 69.100 13.061 7.814 1.00 1.00 C ATOM 776 O PHE A 50 69.293 14.202 7.429 1.00 1.00 O ATOM 777 CB PHE A 50 71.174 11.688 8.014 1.00 1.00 C ATOM 778 CG PHE A 50 70.778 11.380 9.439 1.00 1.00 C ATOM 779 CD1 PHE A 50 70.208 10.142 9.755 1.00 1.00 C ATOM 780 CD2 PHE A 50 70.979 12.335 10.442 1.00 1.00 C ATOM 781 CE1 PHE A 50 69.840 9.857 11.076 1.00 1.00 C ATOM 782 CE2 PHE A 50 70.610 12.051 11.764 1.00 1.00 C ATOM 783 CZ PHE A 50 70.040 10.812 12.080 1.00 1.00 C ATOM 784 OXT PHE A 50 68.292 12.760 8.678 1.00 1.00 O ATOM 0 H PHE A 50 71.250 12.057 5.558 1.00 1.00 H new ATOM 0 HA PHE A 50 69.315 11.036 7.147 1.00 1.00 H new ATOM 0 HB2 PHE A 50 71.740 10.856 7.595 1.00 1.00 H new ATOM 0 HB3 PHE A 50 71.825 12.562 7.987 1.00 1.00 H new ATOM 0 HD1 PHE A 50 70.052 9.406 8.980 1.00 1.00 H new ATOM 0 HD2 PHE A 50 71.418 13.291 10.197 1.00 1.00 H new ATOM 0 HE1 PHE A 50 69.402 8.900 11.320 1.00 1.00 H new ATOM 0 HE2 PHE A 50 70.765 12.788 12.538 1.00 1.00 H new ATOM 0 HZ PHE A 50 69.755 10.593 13.098 1.00 1.00 H new TER 794 PHE A 50