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 152:sc= -0.121 (180deg=-0.876) USER MOD Single : A 1 MET N :NH3+ -158:sc= -0.0729 (180deg=-0.565) USER MOD Single : A 5 HIS : no HD1:sc= 0 X(o=0,f=-0.02) USER MOD Single : A 6 GLN : amide:sc= -0.0213 K(o=-0.021,f=-1.6!) 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= 0 USER MOD Single : A 29 GLN : amide:sc= 0 K(o=0,f=-1.2!) USER MOD Single : A 32 TYR OH : rot 180:sc= 0 USER MOD Single : A 34 SER OG : rot 76:sc= 1.22 USER MOD Single : A 38 SER OG : rot 180:sc= 0 USER MOD Single : A 40 LYS NZ :NH3+ -160:sc= -0.0372 (180deg=-0.479) USER MOD Single : A 42 HIS : no HD1:sc= 0 X(o=0,f=-0.0037) USER MOD Single : A 44 SER OG : rot 180:sc= 0 USER MOD Single : A 48 ASN : amide:sc= -0.119 K(o=-0.12,f=-2.3!) USER MOD ----------------------------------------------------------------- ATOM 1 N MET A 1 21.780 2.180 7.599 1.00 1.00 N ATOM 2 CA MET A 1 21.003 3.234 8.307 1.00 1.00 C ATOM 3 C MET A 1 21.841 3.795 9.454 1.00 1.00 C ATOM 4 O MET A 1 22.479 3.049 10.194 1.00 1.00 O ATOM 5 CB MET A 1 19.715 2.624 8.849 1.00 1.00 C ATOM 6 CG MET A 1 18.801 2.255 7.678 1.00 1.00 C ATOM 7 SD MET A 1 17.323 1.419 8.304 1.00 1.00 S ATOM 8 CE MET A 1 16.565 2.853 9.107 1.00 1.00 C ATOM 0 H1 MET A 1 21.405 2.060 6.636 1.00 1.00 H new ATOM 0 H2 MET A 1 22.780 2.461 7.549 1.00 1.00 H new ATOM 0 H3 MET A 1 21.698 1.282 8.117 1.00 1.00 H new ATOM 0 HA MET A 1 20.756 4.042 7.619 1.00 1.00 H new ATOM 0 HB2 MET A 1 19.940 1.738 9.443 1.00 1.00 H new ATOM 0 HB3 MET A 1 19.213 3.332 9.509 1.00 1.00 H new ATOM 0 HG2 MET A 1 18.518 3.152 7.127 1.00 1.00 H new ATOM 0 HG3 MET A 1 19.330 1.606 6.980 1.00 1.00 H new ATOM 0 HE1 MET A 1 15.482 2.731 9.123 1.00 1.00 H new ATOM 0 HE2 MET A 1 16.936 2.937 10.128 1.00 1.00 H new ATOM 0 HE3 MET A 1 16.820 3.757 8.553 1.00 1.00 H new ATOM 20 N ALA A 2 21.835 5.117 9.590 1.00 1.00 N ATOM 21 CA ALA A 2 22.602 5.776 10.645 1.00 1.00 C ATOM 22 C ALA A 2 22.054 5.421 12.024 1.00 1.00 C ATOM 23 O ALA A 2 20.847 5.249 12.195 1.00 1.00 O ATOM 24 CB ALA A 2 22.548 7.293 10.460 1.00 1.00 C ATOM 0 H ALA A 2 21.311 5.752 8.987 1.00 1.00 H new ATOM 0 HA ALA A 2 23.633 5.430 10.577 1.00 1.00 H new ATOM 0 HB1 ALA A 2 23.122 7.777 11.250 1.00 1.00 H new ATOM 0 HB2 ALA A 2 22.971 7.557 9.491 1.00 1.00 H new ATOM 0 HB3 ALA A 2 21.512 7.629 10.507 1.00 1.00 H new ATOM 30 N GLU A 3 22.946 5.311 13.009 1.00 1.00 N ATOM 31 CA GLU A 3 22.526 4.974 14.370 1.00 1.00 C ATOM 32 C GLU A 3 21.653 6.080 14.948 1.00 1.00 C ATOM 33 O GLU A 3 20.667 5.811 15.628 1.00 1.00 O ATOM 34 CB GLU A 3 23.758 4.794 15.270 1.00 1.00 C ATOM 35 CG GLU A 3 24.582 3.588 14.805 1.00 1.00 C ATOM 36 CD GLU A 3 23.765 2.317 14.995 1.00 1.00 C ATOM 37 OE1 GLU A 3 22.852 2.350 15.804 1.00 1.00 O ATOM 38 OE2 GLU A 3 24.028 1.352 14.302 1.00 1.00 O ATOM 0 H GLU A 3 23.950 5.448 12.893 1.00 1.00 H new ATOM 0 HA GLU A 3 21.956 4.046 14.331 1.00 1.00 H new ATOM 0 HB2 GLU A 3 24.371 5.695 15.244 1.00 1.00 H new ATOM 0 HB3 GLU A 3 23.444 4.652 16.304 1.00 1.00 H new ATOM 0 HG2 GLU A 3 24.858 3.704 13.757 1.00 1.00 H new ATOM 0 HG3 GLU A 3 25.510 3.526 15.374 1.00 1.00 H new ATOM 45 N ALA A 4 22.032 7.326 14.678 1.00 1.00 N ATOM 46 CA ALA A 4 21.284 8.473 15.182 1.00 1.00 C ATOM 47 C ALA A 4 21.854 9.774 14.633 1.00 1.00 C ATOM 48 O ALA A 4 21.330 10.852 14.908 1.00 1.00 O ATOM 49 CB ALA A 4 21.361 8.504 16.708 1.00 1.00 C ATOM 0 H ALA A 4 22.849 7.566 14.116 1.00 1.00 H new ATOM 0 HA ALA A 4 20.248 8.375 14.859 1.00 1.00 H new ATOM 0 HB1 ALA A 4 20.802 9.361 17.083 1.00 1.00 H new ATOM 0 HB2 ALA A 4 20.933 7.587 17.113 1.00 1.00 H new ATOM 0 HB3 ALA A 4 22.403 8.586 17.018 1.00 1.00 H new ATOM 55 N HIS A 5 22.939 9.667 13.866 1.00 1.00 N ATOM 56 CA HIS A 5 23.572 10.854 13.297 1.00 1.00 C ATOM 57 C HIS A 5 22.650 11.516 12.278 1.00 1.00 C ATOM 58 O HIS A 5 22.544 12.739 12.227 1.00 1.00 O ATOM 59 CB HIS A 5 24.903 10.483 12.625 1.00 1.00 C ATOM 60 CG HIS A 5 25.922 10.147 13.683 1.00 1.00 C ATOM 61 ND1 HIS A 5 26.018 8.883 14.245 1.00 1.00 N ATOM 62 CD2 HIS A 5 26.882 10.907 14.310 1.00 1.00 C ATOM 63 CE1 HIS A 5 26.999 8.921 15.166 1.00 1.00 C ATOM 64 NE2 HIS A 5 27.556 10.131 15.249 1.00 1.00 N ATOM 0 H HIS A 5 23.391 8.784 13.628 1.00 1.00 H new ATOM 0 HA HIS A 5 23.766 11.556 14.108 1.00 1.00 H new ATOM 0 HB2 HIS A 5 24.761 9.633 11.958 1.00 1.00 H new ATOM 0 HB3 HIS A 5 25.258 11.313 12.013 1.00 1.00 H new ATOM 0 HD2 HIS A 5 27.083 11.948 14.105 1.00 1.00 H new ATOM 0 HE1 HIS A 5 27.299 8.074 15.766 1.00 1.00 H new ATOM 0 HE2 HIS A 5 28.313 10.424 15.867 1.00 1.00 H new ATOM 72 N GLN A 6 21.994 10.691 11.467 1.00 1.00 N ATOM 73 CA GLN A 6 21.087 11.196 10.440 1.00 1.00 C ATOM 74 C GLN A 6 21.682 12.437 9.777 1.00 1.00 C ATOM 75 O GLN A 6 21.408 13.564 10.189 1.00 1.00 O ATOM 76 CB GLN A 6 19.724 11.538 11.053 1.00 1.00 C ATOM 77 CG GLN A 6 18.787 12.049 9.953 1.00 1.00 C ATOM 78 CD GLN A 6 17.380 12.227 10.507 1.00 1.00 C ATOM 79 OE1 GLN A 6 17.054 11.687 11.564 1.00 1.00 O ATOM 80 NE2 GLN A 6 16.519 12.960 9.857 1.00 1.00 N ATOM 0 H GLN A 6 22.072 9.675 11.500 1.00 1.00 H new ATOM 0 HA GLN A 6 20.950 10.420 9.687 1.00 1.00 H new ATOM 0 HB2 GLN A 6 19.296 10.657 11.531 1.00 1.00 H new ATOM 0 HB3 GLN A 6 19.841 12.296 11.828 1.00 1.00 H new ATOM 0 HG2 GLN A 6 19.155 12.998 9.562 1.00 1.00 H new ATOM 0 HG3 GLN A 6 18.772 11.345 9.121 1.00 1.00 H new ATOM 0 HE21 GLN A 6 16.789 13.408 8.981 1.00 1.00 H new ATOM 0 HE22 GLN A 6 15.576 13.086 10.225 1.00 1.00 H new ATOM 89 N ALA A 7 22.503 12.223 8.750 1.00 1.00 N ATOM 90 CA ALA A 7 23.135 13.333 8.041 1.00 1.00 C ATOM 91 C ALA A 7 22.099 14.136 7.257 1.00 1.00 C ATOM 92 O ALA A 7 21.156 13.571 6.704 1.00 1.00 O ATOM 93 CB ALA A 7 24.200 12.801 7.080 1.00 1.00 C ATOM 0 H ALA A 7 22.744 11.299 8.393 1.00 1.00 H new ATOM 0 HA ALA A 7 23.601 13.987 8.778 1.00 1.00 H new ATOM 0 HB1 ALA A 7 24.666 13.635 6.556 1.00 1.00 H new ATOM 0 HB2 ALA A 7 24.958 12.257 7.643 1.00 1.00 H new ATOM 0 HB3 ALA A 7 23.735 12.132 6.356 1.00 1.00 H new ATOM 99 N VAL A 8 22.279 15.452 7.211 1.00 1.00 N ATOM 100 CA VAL A 8 21.350 16.317 6.488 1.00 1.00 C ATOM 101 C VAL A 8 22.115 17.336 5.648 1.00 1.00 C ATOM 102 O VAL A 8 23.296 17.593 5.887 1.00 1.00 O ATOM 103 CB VAL A 8 20.439 17.035 7.487 1.00 1.00 C ATOM 104 CG1 VAL A 8 19.592 15.997 8.239 1.00 1.00 C ATOM 105 CG2 VAL A 8 21.308 17.809 8.481 1.00 1.00 C ATOM 0 H VAL A 8 23.053 15.941 7.661 1.00 1.00 H new ATOM 0 HA VAL A 8 20.743 15.707 5.819 1.00 1.00 H new ATOM 0 HB VAL A 8 19.779 17.725 6.962 1.00 1.00 H new ATOM 0 HG11 VAL A 8 18.942 16.505 8.951 1.00 1.00 H new ATOM 0 HG12 VAL A 8 18.984 15.439 7.527 1.00 1.00 H new ATOM 0 HG13 VAL A 8 20.248 15.310 8.773 1.00 1.00 H new ATOM 0 HG21 VAL A 8 20.669 18.325 9.198 1.00 1.00 H new ATOM 0 HG22 VAL A 8 21.961 17.115 9.010 1.00 1.00 H new ATOM 0 HG23 VAL A 8 21.913 18.539 7.944 1.00 1.00 H new ATOM 115 N GLY A 9 21.438 17.908 4.661 1.00 1.00 N ATOM 116 CA GLY A 9 22.065 18.891 3.787 1.00 1.00 C ATOM 117 C GLY A 9 21.057 19.441 2.791 1.00 1.00 C ATOM 118 O GLY A 9 19.917 18.979 2.728 1.00 1.00 O ATOM 0 H GLY A 9 20.461 17.710 4.446 1.00 1.00 H new ATOM 0 HA2 GLY A 9 22.477 19.705 4.383 1.00 1.00 H new ATOM 0 HA3 GLY A 9 22.898 18.433 3.254 1.00 1.00 H new ATOM 122 N PHE A 10 21.483 20.425 2.011 1.00 1.00 N ATOM 123 CA PHE A 10 20.604 21.025 1.019 1.00 1.00 C ATOM 124 C PHE A 10 20.454 20.105 -0.189 1.00 1.00 C ATOM 125 O PHE A 10 21.408 19.448 -0.605 1.00 1.00 O ATOM 126 CB PHE A 10 21.168 22.373 0.572 1.00 1.00 C ATOM 127 CG PHE A 10 21.340 23.263 1.774 1.00 1.00 C ATOM 128 CD1 PHE A 10 20.239 23.941 2.300 1.00 1.00 C ATOM 129 CD2 PHE A 10 22.602 23.411 2.362 1.00 1.00 C ATOM 130 CE1 PHE A 10 20.396 24.772 3.415 1.00 1.00 C ATOM 131 CE2 PHE A 10 22.760 24.240 3.478 1.00 1.00 C ATOM 132 CZ PHE A 10 21.655 24.922 4.003 1.00 1.00 C ATOM 0 H PHE A 10 22.422 20.821 2.045 1.00 1.00 H new ATOM 0 HA PHE A 10 19.623 21.174 1.470 1.00 1.00 H new ATOM 0 HB2 PHE A 10 22.125 22.231 0.070 1.00 1.00 H new ATOM 0 HB3 PHE A 10 20.496 22.841 -0.148 1.00 1.00 H new ATOM 0 HD1 PHE A 10 19.266 23.824 1.846 1.00 1.00 H new ATOM 0 HD2 PHE A 10 23.453 22.886 1.954 1.00 1.00 H new ATOM 0 HE1 PHE A 10 19.544 25.297 3.821 1.00 1.00 H new ATOM 0 HE2 PHE A 10 23.732 24.354 3.934 1.00 1.00 H new ATOM 0 HZ PHE A 10 21.776 25.564 4.863 1.00 1.00 H new ATOM 142 N ARG A 11 19.250 20.066 -0.754 1.00 1.00 N ATOM 143 CA ARG A 11 18.983 19.228 -1.923 1.00 1.00 C ATOM 144 C ARG A 11 19.669 17.876 -1.789 1.00 1.00 C ATOM 145 O ARG A 11 20.669 17.603 -2.453 1.00 1.00 O ATOM 146 CB ARG A 11 19.486 19.927 -3.185 1.00 1.00 C ATOM 147 CG ARG A 11 18.759 21.264 -3.346 1.00 1.00 C ATOM 148 CD ARG A 11 19.025 21.821 -4.743 1.00 1.00 C ATOM 149 NE ARG A 11 18.850 23.268 -4.746 1.00 1.00 N ATOM 150 CZ ARG A 11 19.783 24.072 -4.244 1.00 1.00 C ATOM 151 NH1 ARG A 11 20.879 23.571 -3.742 1.00 1.00 N ATOM 152 NH2 ARG A 11 19.606 25.362 -4.257 1.00 1.00 N ATOM 0 H ARG A 11 18.447 20.601 -0.425 1.00 1.00 H new ATOM 0 HA ARG A 11 17.907 19.069 -1.991 1.00 1.00 H new ATOM 0 HB2 ARG A 11 20.562 20.090 -3.120 1.00 1.00 H new ATOM 0 HB3 ARG A 11 19.311 19.297 -4.058 1.00 1.00 H new ATOM 0 HG2 ARG A 11 17.688 21.129 -3.194 1.00 1.00 H new ATOM 0 HG3 ARG A 11 19.101 21.970 -2.590 1.00 1.00 H new ATOM 0 HD2 ARG A 11 20.038 21.569 -5.057 1.00 1.00 H new ATOM 0 HD3 ARG A 11 18.345 21.363 -5.461 1.00 1.00 H new ATOM 0 HE ARG A 11 17.999 23.670 -5.139 1.00 1.00 H new ATOM 0 HH11 ARG A 11 21.021 22.561 -3.734 1.00 1.00 H new ATOM 0 HH12 ARG A 11 21.593 24.190 -3.358 1.00 1.00 H new ATOM 0 HH21 ARG A 11 18.752 25.756 -4.652 1.00 1.00 H new ATOM 0 HH22 ARG A 11 20.321 25.979 -3.872 1.00 1.00 H new ATOM 166 N PRO A 12 19.146 17.027 -0.950 1.00 1.00 N ATOM 167 CA PRO A 12 19.716 15.670 -0.722 1.00 1.00 C ATOM 168 C PRO A 12 19.865 14.881 -2.019 1.00 1.00 C ATOM 169 O PRO A 12 20.844 14.166 -2.210 1.00 1.00 O ATOM 170 CB PRO A 12 18.700 14.998 0.203 1.00 1.00 C ATOM 171 CG PRO A 12 17.985 16.117 0.880 1.00 1.00 C ATOM 172 CD PRO A 12 17.961 17.272 -0.118 1.00 1.00 C ATOM 0 HA PRO A 12 20.720 15.718 -0.300 1.00 1.00 H new ATOM 0 HB2 PRO A 12 18.008 14.373 -0.361 1.00 1.00 H new ATOM 0 HB3 PRO A 12 19.195 14.352 0.928 1.00 1.00 H new ATOM 0 HG2 PRO A 12 16.973 15.821 1.158 1.00 1.00 H new ATOM 0 HG3 PRO A 12 18.496 16.406 1.798 1.00 1.00 H new ATOM 0 HD2 PRO A 12 17.046 17.272 -0.711 1.00 1.00 H new ATOM 0 HD3 PRO A 12 18.015 18.238 0.384 1.00 1.00 H new ATOM 180 N SER A 13 18.886 15.016 -2.906 1.00 1.00 N ATOM 181 CA SER A 13 18.919 14.311 -4.181 1.00 1.00 C ATOM 182 C SER A 13 20.133 14.728 -5.000 1.00 1.00 C ATOM 183 O SER A 13 20.784 13.899 -5.637 1.00 1.00 O ATOM 184 CB SER A 13 17.648 14.600 -4.969 1.00 1.00 C ATOM 185 OG SER A 13 16.527 14.166 -4.215 1.00 1.00 O ATOM 0 H SER A 13 18.064 15.604 -2.767 1.00 1.00 H new ATOM 0 HA SER A 13 18.986 13.242 -3.978 1.00 1.00 H new ATOM 0 HB2 SER A 13 17.570 15.667 -5.179 1.00 1.00 H new ATOM 0 HB3 SER A 13 17.676 14.087 -5.930 1.00 1.00 H new ATOM 0 HG SER A 13 15.705 14.350 -4.715 1.00 1.00 H new ATOM 191 N LEU A 14 20.425 16.021 -4.988 1.00 1.00 N ATOM 192 CA LEU A 14 21.556 16.549 -5.740 1.00 1.00 C ATOM 193 C LEU A 14 22.868 15.961 -5.228 1.00 1.00 C ATOM 194 O LEU A 14 23.743 15.613 -6.018 1.00 1.00 O ATOM 195 CB LEU A 14 21.588 18.078 -5.612 1.00 1.00 C ATOM 196 CG LEU A 14 22.771 18.666 -6.396 1.00 1.00 C ATOM 197 CD1 LEU A 14 22.672 18.276 -7.870 1.00 1.00 C ATOM 198 CD2 LEU A 14 22.742 20.192 -6.278 1.00 1.00 C ATOM 0 H LEU A 14 19.897 16.722 -4.468 1.00 1.00 H new ATOM 0 HA LEU A 14 21.439 16.270 -6.787 1.00 1.00 H new ATOM 0 HB2 LEU A 14 20.654 18.498 -5.985 1.00 1.00 H new ATOM 0 HB3 LEU A 14 21.667 18.358 -4.562 1.00 1.00 H new ATOM 0 HG LEU A 14 23.702 18.275 -5.985 1.00 1.00 H new ATOM 0 HD11 LEU A 14 23.516 18.698 -8.416 1.00 1.00 H new ATOM 0 HD12 LEU A 14 22.688 17.190 -7.961 1.00 1.00 H new ATOM 0 HD13 LEU A 14 21.741 18.661 -8.287 1.00 1.00 H new ATOM 0 HD21 LEU A 14 23.579 20.616 -6.832 1.00 1.00 H new ATOM 0 HD22 LEU A 14 21.806 20.571 -6.688 1.00 1.00 H new ATOM 0 HD23 LEU A 14 22.820 20.477 -5.229 1.00 1.00 H new ATOM 210 N THR A 15 23.005 15.864 -3.904 1.00 1.00 N ATOM 211 CA THR A 15 24.236 15.328 -3.304 1.00 1.00 C ATOM 212 C THR A 15 23.949 14.111 -2.433 1.00 1.00 C ATOM 213 O THR A 15 23.090 14.149 -1.549 1.00 1.00 O ATOM 214 CB THR A 15 24.924 16.410 -2.465 1.00 1.00 C ATOM 215 OG1 THR A 15 25.232 17.527 -3.290 1.00 1.00 O ATOM 216 CG2 THR A 15 26.216 15.855 -1.858 1.00 1.00 C ATOM 0 H THR A 15 22.291 16.145 -3.232 1.00 1.00 H new ATOM 0 HA THR A 15 24.894 15.018 -4.116 1.00 1.00 H new ATOM 0 HB THR A 15 24.254 16.720 -1.663 1.00 1.00 H new ATOM 0 HG1 THR A 15 25.670 18.219 -2.753 1.00 1.00 H new ATOM 0 HG21 THR A 15 26.700 16.629 -1.263 1.00 1.00 H new ATOM 0 HG22 THR A 15 25.982 15.001 -1.222 1.00 1.00 H new ATOM 0 HG23 THR A 15 26.887 15.539 -2.657 1.00 1.00 H new ATOM 224 N SER A 16 24.687 13.031 -2.690 1.00 1.00 N ATOM 225 CA SER A 16 24.519 11.795 -1.929 1.00 1.00 C ATOM 226 C SER A 16 25.065 11.969 -0.513 1.00 1.00 C ATOM 227 O SER A 16 26.028 12.700 -0.292 1.00 1.00 O ATOM 228 CB SER A 16 25.234 10.641 -2.640 1.00 1.00 C ATOM 229 OG SER A 16 24.458 10.223 -3.755 1.00 1.00 O ATOM 0 H SER A 16 25.403 12.988 -3.415 1.00 1.00 H new ATOM 0 HA SER A 16 23.456 11.561 -1.864 1.00 1.00 H new ATOM 0 HB2 SER A 16 26.223 10.959 -2.970 1.00 1.00 H new ATOM 0 HB3 SER A 16 25.380 9.809 -1.951 1.00 1.00 H new ATOM 0 HG SER A 16 24.914 9.486 -4.213 1.00 1.00 H new ATOM 235 N ASP A 17 24.447 11.286 0.442 1.00 1.00 N ATOM 236 CA ASP A 17 24.882 11.372 1.825 1.00 1.00 C ATOM 237 C ASP A 17 26.298 10.816 1.954 1.00 1.00 C ATOM 238 O ASP A 17 27.118 11.289 2.754 1.00 1.00 O ATOM 239 CB ASP A 17 23.921 10.569 2.719 1.00 1.00 C ATOM 240 CG ASP A 17 22.582 11.307 2.845 1.00 1.00 C ATOM 241 OD1 ASP A 17 22.541 12.479 2.503 1.00 1.00 O ATOM 242 OD2 ASP A 17 21.618 10.689 3.270 1.00 1.00 O ATOM 0 H ASP A 17 23.649 10.671 0.284 1.00 1.00 H new ATOM 0 HA ASP A 17 24.878 12.415 2.141 1.00 1.00 H new ATOM 0 HB2 ASP A 17 23.761 9.577 2.296 1.00 1.00 H new ATOM 0 HB3 ASP A 17 24.362 10.427 3.706 1.00 1.00 H new ATOM 247 N GLY A 18 26.601 9.800 1.159 1.00 1.00 N ATOM 248 CA GLY A 18 27.926 9.204 1.225 1.00 1.00 C ATOM 249 C GLY A 18 28.092 8.386 2.506 1.00 1.00 C ATOM 250 O GLY A 18 29.207 8.159 2.966 1.00 1.00 O ATOM 0 H GLY A 18 25.967 9.381 0.479 1.00 1.00 H new ATOM 0 HA2 GLY A 18 28.085 8.564 0.357 1.00 1.00 H new ATOM 0 HA3 GLY A 18 28.684 9.987 1.188 1.00 1.00 H new ATOM 254 N ALA A 19 26.977 7.947 3.082 1.00 1.00 N ATOM 255 CA ALA A 19 27.026 7.158 4.311 1.00 1.00 C ATOM 256 C ALA A 19 27.771 5.845 4.077 1.00 1.00 C ATOM 257 O ALA A 19 28.520 5.384 4.939 1.00 1.00 O ATOM 258 CB ALA A 19 25.603 6.859 4.772 1.00 1.00 C ATOM 0 H ALA A 19 26.038 8.121 2.724 1.00 1.00 H new ATOM 0 HA ALA A 19 27.555 7.727 5.075 1.00 1.00 H new ATOM 0 HB1 ALA A 19 25.634 6.270 5.689 1.00 1.00 H new ATOM 0 HB2 ALA A 19 25.077 7.795 4.959 1.00 1.00 H new ATOM 0 HB3 ALA A 19 25.080 6.298 3.998 1.00 1.00 H new ATOM 264 N GLU A 20 27.565 5.242 2.907 1.00 1.00 N ATOM 265 CA GLU A 20 28.227 3.981 2.584 1.00 1.00 C ATOM 266 C GLU A 20 27.949 2.935 3.656 1.00 1.00 C ATOM 267 O GLU A 20 28.578 2.927 4.711 1.00 1.00 O ATOM 268 CB GLU A 20 29.736 4.196 2.449 1.00 1.00 C ATOM 269 CG GLU A 20 30.028 5.035 1.204 1.00 1.00 C ATOM 270 CD GLU A 20 31.522 5.320 1.114 1.00 1.00 C ATOM 271 OE1 GLU A 20 32.253 4.825 1.957 1.00 1.00 O ATOM 272 OE2 GLU A 20 31.919 6.029 0.203 1.00 1.00 O ATOM 0 H GLU A 20 26.952 5.602 2.175 1.00 1.00 H new ATOM 0 HA GLU A 20 27.830 3.621 1.635 1.00 1.00 H new ATOM 0 HB2 GLU A 20 30.122 4.698 3.336 1.00 1.00 H new ATOM 0 HB3 GLU A 20 30.245 3.235 2.379 1.00 1.00 H new ATOM 0 HG2 GLU A 20 29.695 4.506 0.311 1.00 1.00 H new ATOM 0 HG3 GLU A 20 29.472 5.971 1.246 1.00 1.00 H new ATOM 279 N VAL A 21 26.997 2.056 3.373 1.00 1.00 N ATOM 280 CA VAL A 21 26.632 1.004 4.315 1.00 1.00 C ATOM 281 C VAL A 21 27.805 0.060 4.568 1.00 1.00 C ATOM 282 O VAL A 21 28.088 -0.296 5.711 1.00 1.00 O ATOM 283 CB VAL A 21 25.445 0.212 3.766 1.00 1.00 C ATOM 284 CG1 VAL A 21 25.214 -1.018 4.641 1.00 1.00 C ATOM 285 CG2 VAL A 21 24.197 1.097 3.780 1.00 1.00 C ATOM 0 H VAL A 21 26.465 2.049 2.503 1.00 1.00 H new ATOM 0 HA VAL A 21 26.359 1.472 5.261 1.00 1.00 H new ATOM 0 HB VAL A 21 25.652 -0.104 2.744 1.00 1.00 H new ATOM 0 HG11 VAL A 21 24.368 -1.586 4.254 1.00 1.00 H new ATOM 0 HG12 VAL A 21 26.106 -1.644 4.632 1.00 1.00 H new ATOM 0 HG13 VAL A 21 25.002 -0.703 5.663 1.00 1.00 H new ATOM 0 HG21 VAL A 21 23.348 0.536 3.389 1.00 1.00 H new ATOM 0 HG22 VAL A 21 23.985 1.411 4.802 1.00 1.00 H new ATOM 0 HG23 VAL A 21 24.367 1.976 3.159 1.00 1.00 H new ATOM 295 N GLU A 22 28.476 -0.347 3.497 1.00 1.00 N ATOM 296 CA GLU A 22 29.610 -1.256 3.623 1.00 1.00 C ATOM 297 C GLU A 22 30.770 -0.586 4.357 1.00 1.00 C ATOM 298 O GLU A 22 31.421 -1.210 5.197 1.00 1.00 O ATOM 299 CB GLU A 22 30.068 -1.704 2.239 1.00 1.00 C ATOM 300 CG GLU A 22 28.981 -2.579 1.618 1.00 1.00 C ATOM 301 CD GLU A 22 29.366 -2.958 0.194 1.00 1.00 C ATOM 302 OE1 GLU A 22 30.433 -2.556 -0.237 1.00 1.00 O ATOM 303 OE2 GLU A 22 28.585 -3.643 -0.445 1.00 1.00 O ATOM 0 H GLU A 22 28.258 -0.066 2.541 1.00 1.00 H new ATOM 0 HA GLU A 22 29.291 -2.123 4.202 1.00 1.00 H new ATOM 0 HB2 GLU A 22 30.261 -0.837 1.607 1.00 1.00 H new ATOM 0 HB3 GLU A 22 31.003 -2.260 2.313 1.00 1.00 H new ATOM 0 HG2 GLU A 22 28.841 -3.479 2.217 1.00 1.00 H new ATOM 0 HG3 GLU A 22 28.030 -2.046 1.617 1.00 1.00 H new ATOM 310 N LEU A 23 31.013 0.686 4.039 1.00 1.00 N ATOM 311 CA LEU A 23 32.092 1.448 4.670 1.00 1.00 C ATOM 312 C LEU A 23 33.273 0.545 5.024 1.00 1.00 C ATOM 313 O LEU A 23 33.455 0.177 6.184 1.00 1.00 O ATOM 314 CB LEU A 23 31.567 2.120 5.944 1.00 1.00 C ATOM 315 CG LEU A 23 32.632 3.054 6.533 1.00 1.00 C ATOM 316 CD1 LEU A 23 32.959 4.179 5.545 1.00 1.00 C ATOM 317 CD2 LEU A 23 32.102 3.657 7.837 1.00 1.00 C ATOM 0 H LEU A 23 30.477 1.211 3.348 1.00 1.00 H new ATOM 0 HA LEU A 23 32.436 2.202 3.962 1.00 1.00 H new ATOM 0 HB2 LEU A 23 30.663 2.685 5.719 1.00 1.00 H new ATOM 0 HB3 LEU A 23 31.294 1.361 6.677 1.00 1.00 H new ATOM 0 HG LEU A 23 33.540 2.484 6.727 1.00 1.00 H new ATOM 0 HD11 LEU A 23 33.716 4.834 5.977 1.00 1.00 H new ATOM 0 HD12 LEU A 23 33.337 3.750 4.617 1.00 1.00 H new ATOM 0 HD13 LEU A 23 32.057 4.755 5.338 1.00 1.00 H new ATOM 0 HD21 LEU A 23 32.854 4.322 8.262 1.00 1.00 H new ATOM 0 HD22 LEU A 23 31.192 4.221 7.634 1.00 1.00 H new ATOM 0 HD23 LEU A 23 31.883 2.858 8.545 1.00 1.00 H new ATOM 329 N SER A 24 34.054 0.164 4.017 1.00 1.00 N ATOM 330 CA SER A 24 35.188 -0.729 4.247 1.00 1.00 C ATOM 331 C SER A 24 36.348 -0.012 4.940 1.00 1.00 C ATOM 332 O SER A 24 36.813 1.032 4.483 1.00 1.00 O ATOM 333 CB SER A 24 35.657 -1.295 2.909 1.00 1.00 C ATOM 334 OG SER A 24 34.798 -2.360 2.527 1.00 1.00 O ATOM 0 H SER A 24 33.927 0.454 3.047 1.00 1.00 H new ATOM 0 HA SER A 24 34.859 -1.533 4.906 1.00 1.00 H new ATOM 0 HB2 SER A 24 35.650 -0.515 2.148 1.00 1.00 H new ATOM 0 HB3 SER A 24 36.684 -1.651 2.991 1.00 1.00 H new ATOM 0 HG SER A 24 35.093 -2.726 1.667 1.00 1.00 H new ATOM 340 N ALA A 25 36.835 -0.614 6.027 1.00 1.00 N ATOM 341 CA ALA A 25 37.976 -0.071 6.768 1.00 1.00 C ATOM 342 C ALA A 25 39.290 -0.310 6.015 1.00 1.00 C ATOM 343 O ALA A 25 40.141 0.578 5.923 1.00 1.00 O ATOM 344 CB ALA A 25 38.049 -0.699 8.161 1.00 1.00 C ATOM 0 H ALA A 25 36.457 -1.479 6.414 1.00 1.00 H new ATOM 0 HA ALA A 25 37.832 1.005 6.867 1.00 1.00 H new ATOM 0 HB1 ALA A 25 38.901 -0.287 8.702 1.00 1.00 H new ATOM 0 HB2 ALA A 25 37.132 -0.479 8.708 1.00 1.00 H new ATOM 0 HB3 ALA A 25 38.166 -1.779 8.068 1.00 1.00 H new ATOM 350 N PRO A 26 39.469 -1.506 5.500 1.00 1.00 N ATOM 351 CA PRO A 26 40.704 -1.910 4.758 1.00 1.00 C ATOM 352 C PRO A 26 41.000 -1.037 3.543 1.00 1.00 C ATOM 353 O PRO A 26 42.147 -0.960 3.103 1.00 1.00 O ATOM 354 CB PRO A 26 40.419 -3.350 4.314 1.00 1.00 C ATOM 355 CG PRO A 26 39.363 -3.844 5.242 1.00 1.00 C ATOM 356 CD PRO A 26 38.513 -2.626 5.583 1.00 1.00 C ATOM 0 HA PRO A 26 41.584 -1.806 5.393 1.00 1.00 H new ATOM 0 HB2 PRO A 26 40.080 -3.383 3.279 1.00 1.00 H new ATOM 0 HB3 PRO A 26 41.316 -3.966 4.375 1.00 1.00 H new ATOM 0 HG2 PRO A 26 38.762 -4.622 4.772 1.00 1.00 H new ATOM 0 HG3 PRO A 26 39.802 -4.279 6.140 1.00 1.00 H new ATOM 0 HD2 PRO A 26 37.688 -2.503 4.881 1.00 1.00 H new ATOM 0 HD3 PRO A 26 38.075 -2.708 6.578 1.00 1.00 H new ATOM 364 N VAL A 27 39.990 -0.356 3.017 1.00 1.00 N ATOM 365 CA VAL A 27 40.224 0.519 1.873 1.00 1.00 C ATOM 366 C VAL A 27 41.162 1.646 2.276 1.00 1.00 C ATOM 367 O VAL A 27 42.111 1.963 1.561 1.00 1.00 O ATOM 368 CB VAL A 27 38.907 1.112 1.365 1.00 1.00 C ATOM 369 CG1 VAL A 27 39.205 2.220 0.352 1.00 1.00 C ATOM 370 CG2 VAL A 27 38.080 0.017 0.688 1.00 1.00 C ATOM 0 H VAL A 27 39.027 -0.389 3.351 1.00 1.00 H new ATOM 0 HA VAL A 27 40.674 -0.070 1.074 1.00 1.00 H new ATOM 0 HB VAL A 27 38.348 1.524 2.205 1.00 1.00 H new ATOM 0 HG11 VAL A 27 38.268 2.643 -0.011 1.00 1.00 H new ATOM 0 HG12 VAL A 27 39.795 3.002 0.831 1.00 1.00 H new ATOM 0 HG13 VAL A 27 39.764 1.805 -0.487 1.00 1.00 H new ATOM 0 HG21 VAL A 27 37.143 0.440 0.327 1.00 1.00 H new ATOM 0 HG22 VAL A 27 38.640 -0.395 -0.152 1.00 1.00 H new ATOM 0 HG23 VAL A 27 37.868 -0.775 1.406 1.00 1.00 H new ATOM 380 N LEU A 28 40.891 2.241 3.433 1.00 1.00 N ATOM 381 CA LEU A 28 41.721 3.332 3.932 1.00 1.00 C ATOM 382 C LEU A 28 43.138 2.835 4.200 1.00 1.00 C ATOM 383 O LEU A 28 44.116 3.509 3.877 1.00 1.00 O ATOM 384 CB LEU A 28 41.121 3.906 5.222 1.00 1.00 C ATOM 385 CG LEU A 28 39.805 4.633 4.903 1.00 1.00 C ATOM 386 CD1 LEU A 28 39.102 5.031 6.207 1.00 1.00 C ATOM 387 CD2 LEU A 28 40.084 5.891 4.068 1.00 1.00 C ATOM 0 H LEU A 28 40.110 1.989 4.039 1.00 1.00 H new ATOM 0 HA LEU A 28 41.756 4.116 3.176 1.00 1.00 H new ATOM 0 HB2 LEU A 28 40.940 3.105 5.938 1.00 1.00 H new ATOM 0 HB3 LEU A 28 41.825 4.596 5.686 1.00 1.00 H new ATOM 0 HG LEU A 28 39.162 3.962 4.333 1.00 1.00 H new ATOM 0 HD11 LEU A 28 38.170 5.546 5.975 1.00 1.00 H new ATOM 0 HD12 LEU A 28 38.887 4.137 6.792 1.00 1.00 H new ATOM 0 HD13 LEU A 28 39.749 5.693 6.782 1.00 1.00 H new ATOM 0 HD21 LEU A 28 39.144 6.398 3.848 1.00 1.00 H new ATOM 0 HD22 LEU A 28 40.736 6.562 4.628 1.00 1.00 H new ATOM 0 HD23 LEU A 28 40.570 5.608 3.135 1.00 1.00 H new ATOM 399 N GLN A 29 43.234 1.647 4.787 1.00 1.00 N ATOM 400 CA GLN A 29 44.536 1.059 5.091 1.00 1.00 C ATOM 401 C GLN A 29 45.314 0.776 3.806 1.00 1.00 C ATOM 402 O GLN A 29 46.522 1.008 3.743 1.00 1.00 O ATOM 403 CB GLN A 29 44.345 -0.246 5.867 1.00 1.00 C ATOM 404 CG GLN A 29 43.780 0.057 7.254 1.00 1.00 C ATOM 405 CD GLN A 29 43.514 -1.247 7.998 1.00 1.00 C ATOM 406 OE1 GLN A 29 43.820 -2.326 7.491 1.00 1.00 O ATOM 407 NE2 GLN A 29 42.957 -1.210 9.179 1.00 1.00 N ATOM 0 H GLN A 29 42.434 1.076 5.060 1.00 1.00 H new ATOM 0 HA GLN A 29 45.102 1.768 5.695 1.00 1.00 H new ATOM 0 HB2 GLN A 29 43.669 -0.907 5.325 1.00 1.00 H new ATOM 0 HB3 GLN A 29 45.297 -0.769 5.958 1.00 1.00 H new ATOM 0 HG2 GLN A 29 44.483 0.671 7.817 1.00 1.00 H new ATOM 0 HG3 GLN A 29 42.857 0.630 7.164 1.00 1.00 H new ATOM 0 HE21 GLN A 29 42.705 -0.314 9.596 1.00 1.00 H new ATOM 0 HE22 GLN A 29 42.774 -2.077 9.684 1.00 1.00 H new ATOM 416 N GLU A 30 44.621 0.281 2.783 1.00 1.00 N ATOM 417 CA GLU A 30 45.275 -0.018 1.506 1.00 1.00 C ATOM 418 C GLU A 30 45.756 1.276 0.849 1.00 1.00 C ATOM 419 O GLU A 30 46.859 1.318 0.304 1.00 1.00 O ATOM 420 CB GLU A 30 44.298 -0.751 0.570 1.00 1.00 C ATOM 421 CG GLU A 30 44.993 -1.140 -0.746 1.00 1.00 C ATOM 422 CD GLU A 30 46.025 -2.234 -0.491 1.00 1.00 C ATOM 423 OE1 GLU A 30 46.076 -2.726 0.624 1.00 1.00 O ATOM 424 OE2 GLU A 30 46.741 -2.573 -1.417 1.00 1.00 O ATOM 0 H GLU A 30 43.621 0.080 2.809 1.00 1.00 H new ATOM 0 HA GLU A 30 46.135 -0.662 1.693 1.00 1.00 H new ATOM 0 HB2 GLU A 30 43.916 -1.645 1.063 1.00 1.00 H new ATOM 0 HB3 GLU A 30 43.440 -0.112 0.359 1.00 1.00 H new ATOM 0 HG2 GLU A 30 44.254 -1.488 -1.468 1.00 1.00 H new ATOM 0 HG3 GLU A 30 45.478 -0.267 -1.182 1.00 1.00 H new ATOM 431 N ILE A 31 44.954 2.331 0.917 1.00 1.00 N ATOM 432 CA ILE A 31 45.357 3.607 0.337 1.00 1.00 C ATOM 433 C ILE A 31 46.580 4.139 1.073 1.00 1.00 C ATOM 434 O ILE A 31 47.528 4.617 0.451 1.00 1.00 O ATOM 435 CB ILE A 31 44.214 4.615 0.437 1.00 1.00 C ATOM 436 CG1 ILE A 31 43.067 4.171 -0.475 1.00 1.00 C ATOM 437 CG2 ILE A 31 44.716 5.993 0.001 1.00 1.00 C ATOM 438 CD1 ILE A 31 41.812 4.982 -0.148 1.00 1.00 C ATOM 0 H ILE A 31 44.035 2.331 1.360 1.00 1.00 H new ATOM 0 HA ILE A 31 45.603 3.458 -0.714 1.00 1.00 H new ATOM 0 HB ILE A 31 43.858 4.669 1.466 1.00 1.00 H new ATOM 0 HG12 ILE A 31 43.343 4.314 -1.520 1.00 1.00 H new ATOM 0 HG13 ILE A 31 42.871 3.107 -0.339 1.00 1.00 H new ATOM 0 HG21 ILE A 31 43.903 6.715 0.071 1.00 1.00 H new ATOM 0 HG22 ILE A 31 45.535 6.304 0.650 1.00 1.00 H new ATOM 0 HG23 ILE A 31 45.069 5.943 -1.029 1.00 1.00 H new ATOM 0 HD11 ILE A 31 40.995 4.666 -0.797 1.00 1.00 H new ATOM 0 HD12 ILE A 31 41.533 4.817 0.893 1.00 1.00 H new ATOM 0 HD13 ILE A 31 42.012 6.042 -0.306 1.00 1.00 H new ATOM 450 N TYR A 32 46.562 4.047 2.396 1.00 1.00 N ATOM 451 CA TYR A 32 47.691 4.522 3.191 1.00 1.00 C ATOM 452 C TYR A 32 48.961 3.763 2.820 1.00 1.00 C ATOM 453 O TYR A 32 50.012 4.366 2.603 1.00 1.00 O ATOM 454 CB TYR A 32 47.397 4.327 4.682 1.00 1.00 C ATOM 455 CG TYR A 32 48.601 4.733 5.499 1.00 1.00 C ATOM 456 CD1 TYR A 32 48.881 6.086 5.726 1.00 1.00 C ATOM 457 CD2 TYR A 32 49.441 3.747 6.030 1.00 1.00 C ATOM 458 CE1 TYR A 32 50.003 6.453 6.485 1.00 1.00 C ATOM 459 CE2 TYR A 32 50.561 4.112 6.786 1.00 1.00 C ATOM 460 CZ TYR A 32 50.843 5.468 7.014 1.00 1.00 C ATOM 461 OH TYR A 32 51.950 5.832 7.757 1.00 1.00 O ATOM 0 H TYR A 32 45.791 3.654 2.937 1.00 1.00 H new ATOM 0 HA TYR A 32 47.839 5.582 2.984 1.00 1.00 H new ATOM 0 HB2 TYR A 32 46.532 4.923 4.972 1.00 1.00 H new ATOM 0 HB3 TYR A 32 47.147 3.285 4.879 1.00 1.00 H new ATOM 0 HD1 TYR A 32 48.233 6.847 5.317 1.00 1.00 H new ATOM 0 HD2 TYR A 32 49.225 2.703 5.856 1.00 1.00 H new ATOM 0 HE1 TYR A 32 50.218 7.497 6.661 1.00 1.00 H new ATOM 0 HE2 TYR A 32 51.208 3.350 7.194 1.00 1.00 H new ATOM 0 HH TYR A 32 52.426 5.027 8.051 1.00 1.00 H new ATOM 471 N LEU A 33 48.855 2.443 2.744 1.00 1.00 N ATOM 472 CA LEU A 33 50.007 1.622 2.394 1.00 1.00 C ATOM 473 C LEU A 33 50.486 1.954 0.983 1.00 1.00 C ATOM 474 O LEU A 33 51.687 2.084 0.734 1.00 1.00 O ATOM 475 CB LEU A 33 49.630 0.136 2.481 1.00 1.00 C ATOM 476 CG LEU A 33 50.833 -0.749 2.120 1.00 1.00 C ATOM 477 CD1 LEU A 33 52.004 -0.450 3.059 1.00 1.00 C ATOM 478 CD2 LEU A 33 50.442 -2.223 2.262 1.00 1.00 C ATOM 0 H LEU A 33 47.995 1.923 2.917 1.00 1.00 H new ATOM 0 HA LEU A 33 50.815 1.831 3.096 1.00 1.00 H new ATOM 0 HB2 LEU A 33 49.288 -0.100 3.489 1.00 1.00 H new ATOM 0 HB3 LEU A 33 48.801 -0.075 1.805 1.00 1.00 H new ATOM 0 HG LEU A 33 51.131 -0.540 1.093 1.00 1.00 H new ATOM 0 HD11 LEU A 33 52.852 -1.082 2.796 1.00 1.00 H new ATOM 0 HD12 LEU A 33 52.289 0.598 2.963 1.00 1.00 H new ATOM 0 HD13 LEU A 33 51.706 -0.653 4.088 1.00 1.00 H new ATOM 0 HD21 LEU A 33 51.295 -2.852 2.006 1.00 1.00 H new ATOM 0 HD22 LEU A 33 50.140 -2.422 3.290 1.00 1.00 H new ATOM 0 HD23 LEU A 33 49.613 -2.446 1.591 1.00 1.00 H new ATOM 490 N SER A 34 49.534 2.106 0.065 1.00 1.00 N ATOM 491 CA SER A 34 49.858 2.442 -1.318 1.00 1.00 C ATOM 492 C SER A 34 50.543 3.806 -1.393 1.00 1.00 C ATOM 493 O SER A 34 51.505 3.992 -2.141 1.00 1.00 O ATOM 494 CB SER A 34 48.580 2.462 -2.160 1.00 1.00 C ATOM 495 OG SER A 34 47.940 1.195 -2.074 1.00 1.00 O ATOM 0 H SER A 34 48.537 2.002 0.253 1.00 1.00 H new ATOM 0 HA SER A 34 50.539 1.686 -1.708 1.00 1.00 H new ATOM 0 HB2 SER A 34 47.910 3.245 -1.806 1.00 1.00 H new ATOM 0 HB3 SER A 34 48.819 2.692 -3.198 1.00 1.00 H new ATOM 0 HG SER A 34 47.489 1.114 -1.208 1.00 1.00 H new ATOM 501 N GLY A 35 50.039 4.763 -0.624 1.00 1.00 N ATOM 502 CA GLY A 35 50.608 6.105 -0.625 1.00 1.00 C ATOM 503 C GLY A 35 52.037 6.112 -0.091 1.00 1.00 C ATOM 504 O GLY A 35 52.883 6.859 -0.586 1.00 1.00 O ATOM 0 H GLY A 35 49.244 4.637 0.003 1.00 1.00 H new ATOM 0 HA2 GLY A 35 50.596 6.504 -1.639 1.00 1.00 H new ATOM 0 HA3 GLY A 35 49.989 6.763 -0.016 1.00 1.00 H new ATOM 508 N LEU A 36 52.313 5.298 0.923 1.00 1.00 N ATOM 509 CA LEU A 36 53.641 5.243 1.515 1.00 1.00 C ATOM 510 C LEU A 36 54.678 4.788 0.487 1.00 1.00 C ATOM 511 O LEU A 36 55.777 5.341 0.427 1.00 1.00 O ATOM 512 CB LEU A 36 53.620 4.270 2.703 1.00 1.00 C ATOM 513 CG LEU A 36 55.005 4.180 3.353 1.00 1.00 C ATOM 514 CD1 LEU A 36 55.456 5.567 3.824 1.00 1.00 C ATOM 515 CD2 LEU A 36 54.928 3.232 4.553 1.00 1.00 C ATOM 0 H LEU A 36 51.634 4.668 1.350 1.00 1.00 H new ATOM 0 HA LEU A 36 53.918 6.240 1.856 1.00 1.00 H new ATOM 0 HB2 LEU A 36 52.888 4.603 3.439 1.00 1.00 H new ATOM 0 HB3 LEU A 36 53.306 3.282 2.365 1.00 1.00 H new ATOM 0 HG LEU A 36 55.725 3.804 2.626 1.00 1.00 H new ATOM 0 HD11 LEU A 36 56.441 5.492 4.284 1.00 1.00 H new ATOM 0 HD12 LEU A 36 55.505 6.243 2.970 1.00 1.00 H new ATOM 0 HD13 LEU A 36 54.743 5.953 4.553 1.00 1.00 H new ATOM 0 HD21 LEU A 36 55.909 3.160 5.024 1.00 1.00 H new ATOM 0 HD22 LEU A 36 54.207 3.616 5.274 1.00 1.00 H new ATOM 0 HD23 LEU A 36 54.614 2.244 4.217 1.00 1.00 H new ATOM 527 N ARG A 37 54.339 3.787 -0.316 1.00 1.00 N ATOM 528 CA ARG A 37 55.280 3.298 -1.324 1.00 1.00 C ATOM 529 C ARG A 37 55.569 4.384 -2.361 1.00 1.00 C ATOM 530 O ARG A 37 56.716 4.579 -2.765 1.00 1.00 O ATOM 531 CB ARG A 37 54.709 2.058 -2.021 1.00 1.00 C ATOM 532 CG ARG A 37 54.723 0.870 -1.051 1.00 1.00 C ATOM 533 CD ARG A 37 54.129 -0.367 -1.731 1.00 1.00 C ATOM 534 NE ARG A 37 52.701 -0.187 -1.966 1.00 1.00 N ATOM 535 CZ ARG A 37 51.977 -1.134 -2.560 1.00 1.00 C ATOM 536 NH1 ARG A 37 52.544 -2.240 -2.952 1.00 1.00 N ATOM 537 NH2 ARG A 37 50.700 -0.957 -2.761 1.00 1.00 N ATOM 0 H ARG A 37 53.441 3.305 -0.294 1.00 1.00 H new ATOM 0 HA ARG A 37 56.211 3.033 -0.824 1.00 1.00 H new ATOM 0 HB2 ARG A 37 53.691 2.254 -2.357 1.00 1.00 H new ATOM 0 HB3 ARG A 37 55.298 1.823 -2.908 1.00 1.00 H new ATOM 0 HG2 ARG A 37 55.744 0.664 -0.730 1.00 1.00 H new ATOM 0 HG3 ARG A 37 54.150 1.114 -0.156 1.00 1.00 H new ATOM 0 HD2 ARG A 37 54.639 -0.549 -2.677 1.00 1.00 H new ATOM 0 HD3 ARG A 37 54.293 -1.246 -1.107 1.00 1.00 H new ATOM 0 HE ARG A 37 52.249 0.678 -1.671 1.00 1.00 H new ATOM 0 HH11 ARG A 37 53.543 -2.381 -2.804 1.00 1.00 H new ATOM 0 HH12 ARG A 37 51.988 -2.965 -3.407 1.00 1.00 H new ATOM 0 HH21 ARG A 37 50.252 -0.090 -2.463 1.00 1.00 H new ATOM 0 HH22 ARG A 37 50.150 -1.685 -3.216 1.00 1.00 H new ATOM 551 N SER A 38 54.529 5.104 -2.766 1.00 1.00 N ATOM 552 CA SER A 38 54.678 6.195 -3.724 1.00 1.00 C ATOM 553 C SER A 38 55.423 7.367 -3.095 1.00 1.00 C ATOM 554 O SER A 38 56.256 8.013 -3.732 1.00 1.00 O ATOM 555 CB SER A 38 53.302 6.661 -4.192 1.00 1.00 C ATOM 556 OG SER A 38 53.462 7.693 -5.156 1.00 1.00 O ATOM 0 H SER A 38 53.572 4.952 -2.446 1.00 1.00 H new ATOM 0 HA SER A 38 55.253 5.830 -4.575 1.00 1.00 H new ATOM 0 HB2 SER A 38 52.749 5.826 -4.623 1.00 1.00 H new ATOM 0 HB3 SER A 38 52.720 7.025 -3.345 1.00 1.00 H new ATOM 0 HG SER A 38 52.581 7.995 -5.461 1.00 1.00 H new ATOM 562 N TRP A 39 55.087 7.641 -1.843 1.00 1.00 N ATOM 563 CA TRP A 39 55.681 8.745 -1.098 1.00 1.00 C ATOM 564 C TRP A 39 57.196 8.608 -0.963 1.00 1.00 C ATOM 565 O TRP A 39 57.928 9.599 -1.000 1.00 1.00 O ATOM 566 CB TRP A 39 55.035 8.838 0.284 1.00 1.00 C ATOM 567 CG TRP A 39 55.795 9.797 1.147 1.00 1.00 C ATOM 568 CD1 TRP A 39 56.439 9.468 2.292 1.00 1.00 C ATOM 569 CD2 TRP A 39 56.003 11.228 0.959 1.00 1.00 C ATOM 570 NE1 TRP A 39 57.028 10.606 2.817 1.00 1.00 N ATOM 571 CE2 TRP A 39 56.789 11.715 2.032 1.00 1.00 C ATOM 572 CE3 TRP A 39 55.591 12.143 -0.027 1.00 1.00 C ATOM 573 CZ2 TRP A 39 57.153 13.061 2.120 1.00 1.00 C ATOM 574 CZ3 TRP A 39 55.956 13.496 0.062 1.00 1.00 C ATOM 575 CH2 TRP A 39 56.735 13.953 1.132 1.00 1.00 C ATOM 0 H TRP A 39 54.397 7.107 -1.315 1.00 1.00 H new ATOM 0 HA TRP A 39 55.492 9.660 -1.659 1.00 1.00 H new ATOM 0 HB2 TRP A 39 54.000 9.166 0.188 1.00 1.00 H new ATOM 0 HB3 TRP A 39 55.016 7.853 0.751 1.00 1.00 H new ATOM 0 HD1 TRP A 39 56.486 8.480 2.725 1.00 1.00 H new ATOM 0 HE1 TRP A 39 57.572 10.622 3.679 1.00 1.00 H new ATOM 0 HE3 TRP A 39 54.990 11.803 -0.858 1.00 1.00 H new ATOM 0 HZ2 TRP A 39 57.754 13.409 2.947 1.00 1.00 H new ATOM 0 HZ3 TRP A 39 55.633 14.189 -0.701 1.00 1.00 H new ATOM 0 HH2 TRP A 39 57.012 14.995 1.192 1.00 1.00 H new ATOM 586 N LYS A 40 57.656 7.373 -0.781 1.00 1.00 N ATOM 587 CA LYS A 40 59.082 7.109 -0.608 1.00 1.00 C ATOM 588 C LYS A 40 59.879 7.603 -1.810 1.00 1.00 C ATOM 589 O LYS A 40 61.027 8.011 -1.642 1.00 1.00 O ATOM 590 CB LYS A 40 59.319 5.610 -0.421 1.00 1.00 C ATOM 591 CG LYS A 40 60.786 5.371 -0.073 1.00 1.00 C ATOM 592 CD LYS A 40 61.000 3.889 0.213 1.00 1.00 C ATOM 593 CE LYS A 40 62.457 3.659 0.598 1.00 1.00 C ATOM 594 NZ LYS A 40 63.322 3.943 -0.582 1.00 1.00 N ATOM 0 H LYS A 40 57.065 6.542 -0.750 1.00 1.00 H new ATOM 0 HA LYS A 40 59.419 7.646 0.278 1.00 1.00 H new ATOM 0 HB2 LYS A 40 58.678 5.225 0.372 1.00 1.00 H new ATOM 0 HB3 LYS A 40 59.057 5.072 -1.332 1.00 1.00 H new ATOM 0 HG2 LYS A 40 61.424 5.690 -0.897 1.00 1.00 H new ATOM 0 HG3 LYS A 40 61.067 5.965 0.796 1.00 1.00 H new ATOM 0 HD2 LYS A 40 60.342 3.563 1.019 1.00 1.00 H new ATOM 0 HD3 LYS A 40 60.745 3.296 -0.666 1.00 1.00 H new ATOM 0 HE2 LYS A 40 62.733 4.306 1.431 1.00 1.00 H new ATOM 0 HE3 LYS A 40 62.601 2.631 0.931 1.00 1.00 H new ATOM 0 HZ1 LYS A 40 64.245 3.481 -0.455 1.00 1.00 H new ATOM 0 HZ2 LYS A 40 62.867 3.576 -1.442 1.00 1.00 H new ATOM 0 HZ3 LYS A 40 63.458 4.970 -0.673 1.00 1.00 H new ATOM 608 N ARG A 41 59.321 7.607 -3.010 1.00 1.00 N ATOM 609 CA ARG A 41 60.110 8.116 -4.125 1.00 1.00 C ATOM 610 C ARG A 41 60.476 9.575 -3.821 1.00 1.00 C ATOM 611 O ARG A 41 61.617 10.005 -3.984 1.00 1.00 O ATOM 612 CB ARG A 41 59.310 8.032 -5.431 1.00 1.00 C ATOM 613 CG ARG A 41 60.186 8.488 -6.602 1.00 1.00 C ATOM 614 CD ARG A 41 59.373 8.448 -7.896 1.00 1.00 C ATOM 615 NE ARG A 41 59.054 7.071 -8.245 1.00 1.00 N ATOM 616 CZ ARG A 41 58.350 6.786 -9.333 1.00 1.00 C ATOM 617 NH1 ARG A 41 57.932 7.751 -10.104 1.00 1.00 N ATOM 618 NH2 ARG A 41 58.077 5.546 -9.632 1.00 1.00 N ATOM 0 H ARG A 41 58.380 7.284 -3.234 1.00 1.00 H new ATOM 0 HA ARG A 41 61.013 7.517 -4.247 1.00 1.00 H new ATOM 0 HB2 ARG A 41 58.970 7.010 -5.595 1.00 1.00 H new ATOM 0 HB3 ARG A 41 58.420 8.658 -5.365 1.00 1.00 H new ATOM 0 HG2 ARG A 41 60.554 9.498 -6.423 1.00 1.00 H new ATOM 0 HG3 ARG A 41 61.059 7.842 -6.689 1.00 1.00 H new ATOM 0 HD2 ARG A 41 58.455 9.023 -7.775 1.00 1.00 H new ATOM 0 HD3 ARG A 41 59.937 8.915 -8.704 1.00 1.00 H new ATOM 0 HE ARG A 41 59.377 6.313 -7.643 1.00 1.00 H new ATOM 0 HH11 ARG A 41 58.147 8.720 -9.870 1.00 1.00 H new ATOM 0 HH12 ARG A 41 57.391 7.537 -10.941 1.00 1.00 H new ATOM 0 HH21 ARG A 41 58.405 4.792 -9.029 1.00 1.00 H new ATOM 0 HH22 ARG A 41 57.536 5.331 -10.469 1.00 1.00 H new ATOM 632 N HIS A 42 59.465 10.306 -3.361 1.00 1.00 N ATOM 633 CA HIS A 42 59.661 11.717 -3.013 1.00 1.00 C ATOM 634 C HIS A 42 60.643 11.862 -1.843 1.00 1.00 C ATOM 635 O HIS A 42 61.199 12.936 -1.621 1.00 1.00 O ATOM 636 CB HIS A 42 58.321 12.361 -2.648 1.00 1.00 C ATOM 637 CG HIS A 42 57.451 12.424 -3.875 1.00 1.00 C ATOM 638 ND1 HIS A 42 57.672 13.341 -4.890 1.00 1.00 N ATOM 639 CD2 HIS A 42 56.364 11.683 -4.271 1.00 1.00 C ATOM 640 CE1 HIS A 42 56.744 13.129 -5.841 1.00 1.00 C ATOM 641 NE2 HIS A 42 55.921 12.130 -5.513 1.00 1.00 N ATOM 0 H HIS A 42 58.517 9.957 -3.221 1.00 1.00 H new ATOM 0 HA HIS A 42 60.080 12.225 -3.881 1.00 1.00 H new ATOM 0 HB2 HIS A 42 57.827 11.783 -1.867 1.00 1.00 H new ATOM 0 HB3 HIS A 42 58.482 13.363 -2.250 1.00 1.00 H new ATOM 0 HD2 HIS A 42 55.921 10.877 -3.705 1.00 1.00 H new ATOM 0 HE1 HIS A 42 56.673 13.697 -6.757 1.00 1.00 H new ATOM 0 HE2 HIS A 42 55.136 11.771 -6.056 1.00 1.00 H new ATOM 649 N LEU A 43 60.864 10.770 -1.116 1.00 1.00 N ATOM 650 CA LEU A 43 61.799 10.753 0.014 1.00 1.00 C ATOM 651 C LEU A 43 63.242 10.556 -0.443 1.00 1.00 C ATOM 652 O LEU A 43 64.155 10.581 0.378 1.00 1.00 O ATOM 653 CB LEU A 43 61.451 9.665 1.035 1.00 1.00 C ATOM 654 CG LEU A 43 60.062 9.902 1.640 1.00 1.00 C ATOM 655 CD1 LEU A 43 59.752 8.781 2.637 1.00 1.00 C ATOM 656 CD2 LEU A 43 60.029 11.251 2.365 1.00 1.00 C ATOM 0 H LEU A 43 60.405 9.876 -1.289 1.00 1.00 H new ATOM 0 HA LEU A 43 61.704 11.729 0.490 1.00 1.00 H new ATOM 0 HB2 LEU A 43 61.480 8.687 0.554 1.00 1.00 H new ATOM 0 HB3 LEU A 43 62.199 9.652 1.827 1.00 1.00 H new ATOM 0 HG LEU A 43 59.318 9.908 0.844 1.00 1.00 H new ATOM 0 HD11 LEU A 43 58.766 8.943 3.071 1.00 1.00 H new ATOM 0 HD12 LEU A 43 59.768 7.821 2.121 1.00 1.00 H new ATOM 0 HD13 LEU A 43 60.501 8.781 3.429 1.00 1.00 H new ATOM 0 HD21 LEU A 43 59.039 11.411 2.791 1.00 1.00 H new ATOM 0 HD22 LEU A 43 60.772 11.254 3.162 1.00 1.00 H new ATOM 0 HD23 LEU A 43 60.253 12.050 1.658 1.00 1.00 H new ATOM 668 N SER A 44 63.456 10.290 -1.724 1.00 1.00 N ATOM 669 CA SER A 44 64.806 10.016 -2.207 1.00 1.00 C ATOM 670 C SER A 44 65.779 11.149 -1.901 1.00 1.00 C ATOM 671 O SER A 44 66.900 10.882 -1.469 1.00 1.00 O ATOM 672 CB SER A 44 64.767 9.779 -3.716 1.00 1.00 C ATOM 673 OG SER A 44 66.089 9.849 -4.233 1.00 1.00 O ATOM 0 H SER A 44 62.728 10.258 -2.438 1.00 1.00 H new ATOM 0 HA SER A 44 65.163 9.128 -1.685 1.00 1.00 H new ATOM 0 HB2 SER A 44 64.330 8.804 -3.932 1.00 1.00 H new ATOM 0 HB3 SER A 44 64.135 10.525 -4.197 1.00 1.00 H new ATOM 0 HG SER A 44 66.070 9.696 -5.201 1.00 1.00 H new ATOM 679 N ARG A 45 65.399 12.397 -2.138 1.00 1.00 N ATOM 680 CA ARG A 45 66.338 13.486 -1.889 1.00 1.00 C ATOM 681 C ARG A 45 66.753 13.514 -0.417 1.00 1.00 C ATOM 682 O ARG A 45 67.942 13.563 -0.099 1.00 1.00 O ATOM 683 CB ARG A 45 65.690 14.822 -2.266 1.00 1.00 C ATOM 684 CG ARG A 45 65.568 14.913 -3.791 1.00 1.00 C ATOM 685 CD ARG A 45 64.874 16.220 -4.181 1.00 1.00 C ATOM 686 NE ARG A 45 64.761 16.310 -5.634 1.00 1.00 N ATOM 687 CZ ARG A 45 64.440 17.456 -6.231 1.00 1.00 C ATOM 688 NH1 ARG A 45 64.212 18.521 -5.515 1.00 1.00 N ATOM 689 NH2 ARG A 45 64.354 17.515 -7.534 1.00 1.00 N ATOM 0 H ARG A 45 64.483 12.677 -2.489 1.00 1.00 H new ATOM 0 HA ARG A 45 67.227 13.325 -2.499 1.00 1.00 H new ATOM 0 HB2 ARG A 45 64.706 14.905 -1.805 1.00 1.00 H new ATOM 0 HB3 ARG A 45 66.290 15.650 -1.888 1.00 1.00 H new ATOM 0 HG2 ARG A 45 66.557 14.866 -4.247 1.00 1.00 H new ATOM 0 HG3 ARG A 45 65.001 14.063 -4.171 1.00 1.00 H new ATOM 0 HD2 ARG A 45 63.884 16.265 -3.727 1.00 1.00 H new ATOM 0 HD3 ARG A 45 65.439 17.070 -3.798 1.00 1.00 H new ATOM 0 HE ARG A 45 64.931 15.480 -6.202 1.00 1.00 H new ATOM 0 HH11 ARG A 45 64.280 18.476 -4.498 1.00 1.00 H new ATOM 0 HH12 ARG A 45 63.966 19.399 -5.971 1.00 1.00 H new ATOM 0 HH21 ARG A 45 64.533 16.682 -8.095 1.00 1.00 H new ATOM 0 HH22 ARG A 45 64.108 18.394 -7.990 1.00 1.00 H new ATOM 703 N PHE A 46 65.767 13.474 0.476 1.00 1.00 N ATOM 704 CA PHE A 46 66.027 13.490 1.914 1.00 1.00 C ATOM 705 C PHE A 46 66.730 12.213 2.361 1.00 1.00 C ATOM 706 O PHE A 46 67.625 12.241 3.203 1.00 1.00 O ATOM 707 CB PHE A 46 64.710 13.647 2.684 1.00 1.00 C ATOM 708 CG PHE A 46 64.152 15.031 2.451 1.00 1.00 C ATOM 709 CD1 PHE A 46 64.544 16.092 3.278 1.00 1.00 C ATOM 710 CD2 PHE A 46 63.246 15.252 1.410 1.00 1.00 C ATOM 711 CE1 PHE A 46 64.029 17.375 3.061 1.00 1.00 C ATOM 712 CE2 PHE A 46 62.733 16.535 1.191 1.00 1.00 C ATOM 713 CZ PHE A 46 63.125 17.597 2.015 1.00 1.00 C ATOM 0 H PHE A 46 64.778 13.430 0.229 1.00 1.00 H new ATOM 0 HA PHE A 46 66.680 14.336 2.128 1.00 1.00 H new ATOM 0 HB2 PHE A 46 63.993 12.894 2.356 1.00 1.00 H new ATOM 0 HB3 PHE A 46 64.878 13.485 3.749 1.00 1.00 H new ATOM 0 HD1 PHE A 46 65.243 15.920 4.083 1.00 1.00 H new ATOM 0 HD2 PHE A 46 62.942 14.433 0.775 1.00 1.00 H new ATOM 0 HE1 PHE A 46 64.328 18.193 3.700 1.00 1.00 H new ATOM 0 HE2 PHE A 46 62.034 16.706 0.386 1.00 1.00 H new ATOM 0 HZ PHE A 46 62.730 18.588 1.844 1.00 1.00 H new ATOM 723 N TRP A 47 66.305 11.094 1.794 1.00 1.00 N ATOM 724 CA TRP A 47 66.881 9.801 2.137 1.00 1.00 C ATOM 725 C TRP A 47 68.366 9.743 1.788 1.00 1.00 C ATOM 726 O TRP A 47 69.173 9.212 2.551 1.00 1.00 O ATOM 727 CB TRP A 47 66.131 8.686 1.407 1.00 1.00 C ATOM 728 CG TRP A 47 66.659 7.363 1.849 1.00 1.00 C ATOM 729 CD1 TRP A 47 66.251 6.700 2.953 1.00 1.00 C ATOM 730 CD2 TRP A 47 67.674 6.532 1.219 1.00 1.00 C ATOM 731 NE1 TRP A 47 66.953 5.512 3.044 1.00 1.00 N ATOM 732 CE2 TRP A 47 67.842 5.362 1.996 1.00 1.00 C ATOM 733 CE3 TRP A 47 68.455 6.676 0.059 1.00 1.00 C ATOM 734 CZ2 TRP A 47 68.756 4.371 1.637 1.00 1.00 C ATOM 735 CZ3 TRP A 47 69.377 5.682 -0.307 1.00 1.00 C ATOM 736 CH2 TRP A 47 69.526 4.530 0.480 1.00 1.00 C ATOM 0 H TRP A 47 65.564 11.054 1.095 1.00 1.00 H new ATOM 0 HA TRP A 47 66.782 9.663 3.214 1.00 1.00 H new ATOM 0 HB2 TRP A 47 65.063 8.753 1.617 1.00 1.00 H new ATOM 0 HB3 TRP A 47 66.251 8.797 0.329 1.00 1.00 H new ATOM 0 HD1 TRP A 47 65.500 7.042 3.650 1.00 1.00 H new ATOM 0 HE1 TRP A 47 66.830 4.830 3.793 1.00 1.00 H new ATOM 0 HE3 TRP A 47 68.345 7.558 -0.555 1.00 1.00 H new ATOM 0 HZ2 TRP A 47 68.868 3.487 2.248 1.00 1.00 H new ATOM 0 HZ3 TRP A 47 69.974 5.805 -1.198 1.00 1.00 H new ATOM 0 HH2 TRP A 47 70.234 3.767 0.193 1.00 1.00 H new ATOM 747 N ASN A 48 68.721 10.305 0.634 1.00 1.00 N ATOM 748 CA ASN A 48 70.111 10.320 0.201 1.00 1.00 C ATOM 749 C ASN A 48 70.959 11.110 1.191 1.00 1.00 C ATOM 750 O ASN A 48 72.074 10.711 1.526 1.00 1.00 O ATOM 751 CB ASN A 48 70.219 10.966 -1.183 1.00 1.00 C ATOM 752 CG ASN A 48 69.768 9.990 -2.263 1.00 1.00 C ATOM 753 OD1 ASN A 48 69.716 8.783 -2.031 1.00 1.00 O ATOM 754 ND2 ASN A 48 69.431 10.447 -3.437 1.00 1.00 N ATOM 0 H ASN A 48 68.069 10.752 -0.011 1.00 1.00 H new ATOM 0 HA ASN A 48 70.473 9.293 0.153 1.00 1.00 H new ATOM 0 HB2 ASN A 48 69.606 11.867 -1.219 1.00 1.00 H new ATOM 0 HB3 ASN A 48 71.248 11.273 -1.368 1.00 1.00 H new ATOM 0 HD21 ASN A 48 69.123 9.803 -4.166 1.00 1.00 H new ATOM 0 HD22 ASN A 48 69.475 11.448 -3.626 1.00 1.00 H new ATOM 761 N ASP A 49 70.416 12.230 1.660 1.00 1.00 N ATOM 762 CA ASP A 49 71.125 13.076 2.615 1.00 1.00 C ATOM 763 C ASP A 49 70.735 12.714 4.044 1.00 1.00 C ATOM 764 O ASP A 49 69.601 12.945 4.466 1.00 1.00 O ATOM 765 CB ASP A 49 70.788 14.544 2.355 1.00 1.00 C ATOM 766 CG ASP A 49 71.713 15.437 3.173 1.00 1.00 C ATOM 767 OD1 ASP A 49 72.469 14.902 3.967 1.00 1.00 O ATOM 768 OD2 ASP A 49 71.657 16.641 2.990 1.00 1.00 O ATOM 0 H ASP A 49 69.492 12.572 1.396 1.00 1.00 H new ATOM 0 HA ASP A 49 72.196 12.916 2.489 1.00 1.00 H new ATOM 0 HB2 ASP A 49 70.895 14.769 1.294 1.00 1.00 H new ATOM 0 HB3 ASP A 49 69.749 14.741 2.620 1.00 1.00 H new ATOM 773 N PHE A 50 71.682 12.148 4.782 1.00 1.00 N ATOM 774 CA PHE A 50 71.431 11.754 6.164 1.00 1.00 C ATOM 775 C PHE A 50 70.219 10.832 6.247 1.00 1.00 C ATOM 776 O PHE A 50 69.602 10.604 5.220 1.00 1.00 O ATOM 777 CB PHE A 50 71.185 12.991 7.027 1.00 1.00 C ATOM 778 CG PHE A 50 70.890 12.571 8.449 1.00 1.00 C ATOM 779 CD1 PHE A 50 71.929 12.134 9.281 1.00 1.00 C ATOM 780 CD2 PHE A 50 69.577 12.625 8.936 1.00 1.00 C ATOM 781 CE1 PHE A 50 71.656 11.749 10.599 1.00 1.00 C ATOM 782 CE2 PHE A 50 69.304 12.241 10.254 1.00 1.00 C ATOM 783 CZ PHE A 50 70.343 11.803 11.085 1.00 1.00 C ATOM 784 OXT PHE A 50 69.924 10.368 7.337 1.00 1.00 O ATOM 0 H PHE A 50 72.626 11.952 4.450 1.00 1.00 H new ATOM 0 HA PHE A 50 72.309 11.222 6.532 1.00 1.00 H new ATOM 0 HB2 PHE A 50 72.059 13.642 7.004 1.00 1.00 H new ATOM 0 HB3 PHE A 50 70.349 13.565 6.627 1.00 1.00 H new ATOM 0 HD1 PHE A 50 72.941 12.094 8.906 1.00 1.00 H new ATOM 0 HD2 PHE A 50 68.776 12.963 8.295 1.00 1.00 H new ATOM 0 HE1 PHE A 50 72.456 11.411 11.240 1.00 1.00 H new ATOM 0 HE2 PHE A 50 68.292 12.282 10.630 1.00 1.00 H new ATOM 0 HZ PHE A 50 70.132 11.506 12.102 1.00 1.00 H new TER 794 PHE A 50