USER MOD reduce.3.24.130724 H: found=0, std=0, add=545, rem=0, adj=19 USER MOD reduce.3.24.130724 removed 541 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 NoAdj-H: A 38 HIS HD1 : A 38 HIS ND1 : A 201 ZNZN :(H bumps) USER MOD NoAdj-H: A 68 HIS HD1 : A 68 HIS ND1 : A 401 ZNZN :(H bumps) USER MOD Single : A 1 GLY N :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 2 SER OG : rot 180:sc= 0 USER MOD Single : A 3 SER OG : rot 180:sc= -0.0926 USER MOD Single : A 5 SER OG : rot 180:sc= 0 USER MOD Single : A 6 SER OG : rot 180:sc= 0 USER MOD Single : A 8 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 13 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Single : A 15 SER OG : rot -25:sc= 1.1 USER MOD Single : A 17 LYS NZ :NH3+ 169:sc= -0.103 (180deg=-0.213) USER MOD Single : A 22 ASN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 28 ASN : amide:sc= -0.127 X(o=-0.13,f=-0.0071) USER MOD Single : A 29 TYR OH : rot 180:sc= 0 USER MOD Single : A 31 SER OG : rot 180:sc= 0 USER MOD Single : A 33 MET CE :methyl 176:sc= -4.54! (180deg=-4.55!) USER MOD Single : A 35 THR OG1 : rot 180:sc= 0.00574 USER MOD Single : A 49 THR OG1 : rot 180:sc= 0 USER MOD Single : A 50 SER OG : rot 180:sc= -0.103 USER MOD Single : A 52 SER OG : rot 180:sc= 0 USER MOD Single : A 53 THR OG1 : rot 180:sc= -0.0689 USER MOD Single : A 55 SER OG : rot 180:sc= 0 USER MOD Single : A 69 TYR OH : rot 180:sc= 0 USER MOD Single : A 70 HIS : no HD1:sc= -0.6 K(o=-0.6,f=-0.033) USER MOD Single : A 71 HIS : no HD1:sc= 0 X(o=0,f=0) USER MOD Single : A 75 SER OG : rot 180:sc= 0 USER MOD Single : A 78 SER OG : rot 180:sc= 0 USER MOD Single : A 79 SER OG : rot 180:sc= 0 USER MOD ----------------------------------------------------------------- ATOM 1 N GLY A 1 -49.074 8.515 -26.029 1.00 0.00 N ATOM 2 CA GLY A 1 -48.423 8.462 -24.733 1.00 0.00 C ATOM 3 C GLY A 1 -47.407 7.340 -24.641 1.00 0.00 C ATOM 4 O GLY A 1 -47.659 6.226 -25.101 1.00 0.00 O ATOM 0 H1 GLY A 1 -49.759 9.298 -26.042 1.00 0.00 H new ATOM 0 H2 GLY A 1 -48.360 8.667 -26.770 1.00 0.00 H new ATOM 0 H3 GLY A 1 -49.570 7.618 -26.205 1.00 0.00 H new ATOM 0 HA2 GLY A 1 -47.928 9.413 -24.539 1.00 0.00 H new ATOM 0 HA3 GLY A 1 -49.176 8.331 -23.956 1.00 0.00 H new ATOM 8 N SER A 2 -46.255 7.634 -24.046 1.00 0.00 N ATOM 9 CA SER A 2 -45.195 6.643 -23.900 1.00 0.00 C ATOM 10 C SER A 2 -44.445 6.840 -22.586 1.00 0.00 C ATOM 11 O SER A 2 -44.605 7.858 -21.914 1.00 0.00 O ATOM 12 CB SER A 2 -44.220 6.732 -25.076 1.00 0.00 C ATOM 13 OG SER A 2 -44.878 6.481 -26.305 1.00 0.00 O ATOM 0 H SER A 2 -46.032 8.550 -23.657 1.00 0.00 H new ATOM 0 HA SER A 2 -45.654 5.654 -23.892 1.00 0.00 H new ATOM 0 HB2 SER A 2 -43.764 7.722 -25.100 1.00 0.00 H new ATOM 0 HB3 SER A 2 -43.413 6.012 -24.938 1.00 0.00 H new ATOM 0 HG SER A 2 -44.233 6.546 -27.040 1.00 0.00 H new ATOM 19 N SER A 3 -43.627 5.856 -22.227 1.00 0.00 N ATOM 20 CA SER A 3 -42.854 5.917 -20.992 1.00 0.00 C ATOM 21 C SER A 3 -41.864 4.759 -20.912 1.00 0.00 C ATOM 22 O SER A 3 -42.034 3.736 -21.574 1.00 0.00 O ATOM 23 CB SER A 3 -43.788 5.889 -19.780 1.00 0.00 C ATOM 24 OG SER A 3 -43.055 5.754 -18.575 1.00 0.00 O ATOM 0 H SER A 3 -43.482 5.007 -22.774 1.00 0.00 H new ATOM 0 HA SER A 3 -42.293 6.852 -20.989 1.00 0.00 H new ATOM 0 HB2 SER A 3 -44.378 6.805 -19.750 1.00 0.00 H new ATOM 0 HB3 SER A 3 -44.490 5.061 -19.877 1.00 0.00 H new ATOM 0 HG SER A 3 -43.674 5.740 -17.815 1.00 0.00 H new ATOM 30 N GLY A 4 -40.828 4.930 -20.096 1.00 0.00 N ATOM 31 CA GLY A 4 -39.825 3.892 -19.944 1.00 0.00 C ATOM 32 C GLY A 4 -39.078 3.996 -18.630 1.00 0.00 C ATOM 33 O GLY A 4 -38.516 5.043 -18.308 1.00 0.00 O ATOM 0 H GLY A 4 -40.666 5.768 -19.538 1.00 0.00 H new ATOM 0 HA2 GLY A 4 -40.305 2.915 -20.009 1.00 0.00 H new ATOM 0 HA3 GLY A 4 -39.114 3.954 -20.768 1.00 0.00 H new ATOM 37 N SER A 5 -39.072 2.908 -17.867 1.00 0.00 N ATOM 38 CA SER A 5 -38.393 2.882 -16.577 1.00 0.00 C ATOM 39 C SER A 5 -37.637 1.571 -16.386 1.00 0.00 C ATOM 40 O SER A 5 -38.190 0.489 -16.580 1.00 0.00 O ATOM 41 CB SER A 5 -39.401 3.072 -15.442 1.00 0.00 C ATOM 42 OG SER A 5 -38.743 3.288 -14.205 1.00 0.00 O ATOM 0 H SER A 5 -39.530 2.032 -18.120 1.00 0.00 H new ATOM 0 HA SER A 5 -37.675 3.701 -16.557 1.00 0.00 H new ATOM 0 HB2 SER A 5 -40.049 3.919 -15.665 1.00 0.00 H new ATOM 0 HB3 SER A 5 -40.040 2.192 -15.368 1.00 0.00 H new ATOM 0 HG SER A 5 -39.409 3.408 -13.497 1.00 0.00 H new ATOM 48 N SER A 6 -36.367 1.677 -16.006 1.00 0.00 N ATOM 49 CA SER A 6 -35.532 0.501 -15.793 1.00 0.00 C ATOM 50 C SER A 6 -34.221 0.881 -15.112 1.00 0.00 C ATOM 51 O SER A 6 -33.675 1.958 -15.350 1.00 0.00 O ATOM 52 CB SER A 6 -35.246 -0.195 -17.124 1.00 0.00 C ATOM 53 OG SER A 6 -34.618 0.688 -18.037 1.00 0.00 O ATOM 0 H SER A 6 -35.894 2.565 -15.839 1.00 0.00 H new ATOM 0 HA SER A 6 -36.073 -0.185 -15.142 1.00 0.00 H new ATOM 0 HB2 SER A 6 -34.608 -1.062 -16.955 1.00 0.00 H new ATOM 0 HB3 SER A 6 -36.178 -0.564 -17.553 1.00 0.00 H new ATOM 0 HG SER A 6 -34.444 0.218 -18.879 1.00 0.00 H new ATOM 59 N GLY A 7 -33.721 -0.012 -14.263 1.00 0.00 N ATOM 60 CA GLY A 7 -32.478 0.248 -13.560 1.00 0.00 C ATOM 61 C GLY A 7 -31.535 -0.938 -13.594 1.00 0.00 C ATOM 62 O GLY A 7 -31.968 -2.088 -13.521 1.00 0.00 O ATOM 0 H GLY A 7 -34.154 -0.910 -14.050 1.00 0.00 H new ATOM 0 HA2 GLY A 7 -31.986 1.113 -14.006 1.00 0.00 H new ATOM 0 HA3 GLY A 7 -32.697 0.505 -12.524 1.00 0.00 H new ATOM 66 N LYS A 8 -30.241 -0.659 -13.706 1.00 0.00 N ATOM 67 CA LYS A 8 -29.232 -1.711 -13.749 1.00 0.00 C ATOM 68 C LYS A 8 -27.875 -1.183 -13.294 1.00 0.00 C ATOM 69 O LYS A 8 -27.347 -0.229 -13.864 1.00 0.00 O ATOM 70 CB LYS A 8 -29.120 -2.280 -15.166 1.00 0.00 C ATOM 71 CG LYS A 8 -28.768 -1.238 -16.214 1.00 0.00 C ATOM 72 CD LYS A 8 -29.295 -1.626 -17.585 1.00 0.00 C ATOM 73 CE LYS A 8 -29.026 -0.539 -18.613 1.00 0.00 C ATOM 74 NZ LYS A 8 -29.442 -0.954 -19.982 1.00 0.00 N ATOM 0 H LYS A 8 -29.866 0.287 -13.769 1.00 0.00 H new ATOM 0 HA LYS A 8 -29.541 -2.504 -13.068 1.00 0.00 H new ATOM 0 HB2 LYS A 8 -28.362 -3.063 -15.175 1.00 0.00 H new ATOM 0 HB3 LYS A 8 -30.066 -2.749 -15.436 1.00 0.00 H new ATOM 0 HG2 LYS A 8 -29.184 -0.273 -15.923 1.00 0.00 H new ATOM 0 HG3 LYS A 8 -27.686 -1.118 -16.260 1.00 0.00 H new ATOM 0 HD2 LYS A 8 -28.826 -2.556 -17.906 1.00 0.00 H new ATOM 0 HD3 LYS A 8 -30.367 -1.814 -17.524 1.00 0.00 H new ATOM 0 HE2 LYS A 8 -29.560 0.368 -18.331 1.00 0.00 H new ATOM 0 HE3 LYS A 8 -27.964 -0.296 -18.615 1.00 0.00 H new ATOM 0 HZ1 LYS A 8 -29.242 -0.185 -20.654 1.00 0.00 H new ATOM 0 HZ2 LYS A 8 -28.914 -1.805 -20.262 1.00 0.00 H new ATOM 0 HZ3 LYS A 8 -30.461 -1.162 -19.987 1.00 0.00 H new ATOM 88 N ASP A 9 -27.317 -1.811 -12.265 1.00 0.00 N ATOM 89 CA ASP A 9 -26.020 -1.406 -11.734 1.00 0.00 C ATOM 90 C ASP A 9 -25.082 -0.980 -12.859 1.00 0.00 C ATOM 91 O ASP A 9 -24.532 -1.818 -13.573 1.00 0.00 O ATOM 92 CB ASP A 9 -25.393 -2.549 -10.935 1.00 0.00 C ATOM 93 CG ASP A 9 -24.939 -3.693 -11.820 1.00 0.00 C ATOM 94 OD1 ASP A 9 -25.698 -4.072 -12.737 1.00 0.00 O ATOM 95 OD2 ASP A 9 -23.823 -4.209 -11.597 1.00 0.00 O ATOM 0 H ASP A 9 -27.742 -2.602 -11.782 1.00 0.00 H new ATOM 0 HA ASP A 9 -26.175 -0.554 -11.072 1.00 0.00 H new ATOM 0 HB2 ASP A 9 -24.541 -2.170 -10.371 1.00 0.00 H new ATOM 0 HB3 ASP A 9 -26.116 -2.920 -10.209 1.00 0.00 H new ATOM 100 N PHE A 10 -24.905 0.328 -13.011 1.00 0.00 N ATOM 101 CA PHE A 10 -24.035 0.866 -14.050 1.00 0.00 C ATOM 102 C PHE A 10 -22.626 0.292 -13.931 1.00 0.00 C ATOM 103 O PHE A 10 -22.317 -0.434 -12.985 1.00 0.00 O ATOM 104 CB PHE A 10 -23.984 2.393 -13.963 1.00 0.00 C ATOM 105 CG PHE A 10 -23.562 2.903 -12.615 1.00 0.00 C ATOM 106 CD1 PHE A 10 -22.247 2.780 -12.194 1.00 0.00 C ATOM 107 CD2 PHE A 10 -24.479 3.506 -11.769 1.00 0.00 C ATOM 108 CE1 PHE A 10 -21.856 3.247 -10.954 1.00 0.00 C ATOM 109 CE2 PHE A 10 -24.093 3.976 -10.528 1.00 0.00 C ATOM 110 CZ PHE A 10 -22.780 3.847 -10.120 1.00 0.00 C ATOM 0 H PHE A 10 -25.353 1.035 -12.428 1.00 0.00 H new ATOM 0 HA PHE A 10 -24.446 0.577 -15.017 1.00 0.00 H new ATOM 0 HB2 PHE A 10 -23.293 2.769 -14.717 1.00 0.00 H new ATOM 0 HB3 PHE A 10 -24.968 2.796 -14.203 1.00 0.00 H new ATOM 0 HD1 PHE A 10 -21.520 2.314 -12.843 1.00 0.00 H new ATOM 0 HD2 PHE A 10 -25.507 3.610 -12.083 1.00 0.00 H new ATOM 0 HE1 PHE A 10 -20.829 3.143 -10.637 1.00 0.00 H new ATOM 0 HE2 PHE A 10 -24.818 4.444 -9.878 1.00 0.00 H new ATOM 0 HZ PHE A 10 -22.476 4.214 -9.151 1.00 0.00 H new ATOM 120 N LEU A 11 -21.776 0.621 -14.898 1.00 0.00 N ATOM 121 CA LEU A 11 -20.399 0.138 -14.903 1.00 0.00 C ATOM 122 C LEU A 11 -19.759 0.304 -13.528 1.00 0.00 C ATOM 123 O LEU A 11 -19.401 1.411 -13.129 1.00 0.00 O ATOM 124 CB LEU A 11 -19.579 0.889 -15.954 1.00 0.00 C ATOM 125 CG LEU A 11 -18.507 0.073 -16.676 1.00 0.00 C ATOM 126 CD1 LEU A 11 -17.544 -0.549 -15.676 1.00 0.00 C ATOM 127 CD2 LEU A 11 -19.147 -1.003 -17.541 1.00 0.00 C ATOM 0 H LEU A 11 -22.016 1.220 -15.688 1.00 0.00 H new ATOM 0 HA LEU A 11 -20.412 -0.923 -15.151 1.00 0.00 H new ATOM 0 HB2 LEU A 11 -20.264 1.293 -16.700 1.00 0.00 H new ATOM 0 HB3 LEU A 11 -19.097 1.739 -15.471 1.00 0.00 H new ATOM 0 HG LEU A 11 -17.943 0.744 -17.323 1.00 0.00 H new ATOM 0 HD11 LEU A 11 -16.788 -1.126 -16.209 1.00 0.00 H new ATOM 0 HD12 LEU A 11 -17.059 0.239 -15.099 1.00 0.00 H new ATOM 0 HD13 LEU A 11 -18.094 -1.206 -15.002 1.00 0.00 H new ATOM 0 HD21 LEU A 11 -18.368 -1.574 -18.047 1.00 0.00 H new ATOM 0 HD22 LEU A 11 -19.737 -1.671 -16.914 1.00 0.00 H new ATOM 0 HD23 LEU A 11 -19.795 -0.536 -18.283 1.00 0.00 H new ATOM 139 N ALA A 12 -19.617 -0.805 -12.810 1.00 0.00 N ATOM 140 CA ALA A 12 -19.016 -0.784 -11.483 1.00 0.00 C ATOM 141 C ALA A 12 -17.732 -1.606 -11.448 1.00 0.00 C ATOM 142 O ALA A 12 -16.734 -1.191 -10.859 1.00 0.00 O ATOM 143 CB ALA A 12 -20.004 -1.301 -10.448 1.00 0.00 C ATOM 0 H ALA A 12 -19.910 -1.730 -13.126 1.00 0.00 H new ATOM 0 HA ALA A 12 -18.762 0.248 -11.243 1.00 0.00 H new ATOM 0 HB1 ALA A 12 -19.542 -1.280 -9.461 1.00 0.00 H new ATOM 0 HB2 ALA A 12 -20.893 -0.670 -10.446 1.00 0.00 H new ATOM 0 HB3 ALA A 12 -20.287 -2.325 -10.694 1.00 0.00 H new ATOM 149 N MET A 13 -17.764 -2.773 -12.082 1.00 0.00 N ATOM 150 CA MET A 13 -16.602 -3.653 -12.124 1.00 0.00 C ATOM 151 C MET A 13 -15.809 -3.567 -10.824 1.00 0.00 C ATOM 152 O MET A 13 -14.579 -3.512 -10.838 1.00 0.00 O ATOM 153 CB MET A 13 -15.704 -3.290 -13.308 1.00 0.00 C ATOM 154 CG MET A 13 -16.357 -3.524 -14.660 1.00 0.00 C ATOM 155 SD MET A 13 -16.247 -5.242 -15.197 1.00 0.00 S ATOM 156 CE MET A 13 -17.961 -5.585 -15.589 1.00 0.00 C ATOM 0 H MET A 13 -18.582 -3.132 -12.574 1.00 0.00 H new ATOM 0 HA MET A 13 -16.956 -4.677 -12.246 1.00 0.00 H new ATOM 0 HB2 MET A 13 -15.418 -2.241 -13.228 1.00 0.00 H new ATOM 0 HB3 MET A 13 -14.787 -3.876 -13.251 1.00 0.00 H new ATOM 0 HG2 MET A 13 -17.405 -3.230 -14.608 1.00 0.00 H new ATOM 0 HG3 MET A 13 -15.883 -2.884 -15.404 1.00 0.00 H new ATOM 0 HE1 MET A 13 -18.056 -6.614 -15.937 1.00 0.00 H new ATOM 0 HE2 MET A 13 -18.573 -5.445 -14.698 1.00 0.00 H new ATOM 0 HE3 MET A 13 -18.298 -4.905 -16.371 1.00 0.00 H new ATOM 166 N PHE A 14 -16.520 -3.555 -9.701 1.00 0.00 N ATOM 167 CA PHE A 14 -15.882 -3.475 -8.392 1.00 0.00 C ATOM 168 C PHE A 14 -14.594 -4.292 -8.364 1.00 0.00 C ATOM 169 O PHE A 14 -13.534 -3.787 -7.995 1.00 0.00 O ATOM 170 CB PHE A 14 -16.837 -3.971 -7.305 1.00 0.00 C ATOM 171 CG PHE A 14 -17.247 -5.406 -7.475 1.00 0.00 C ATOM 172 CD1 PHE A 14 -18.188 -5.763 -8.427 1.00 0.00 C ATOM 173 CD2 PHE A 14 -16.692 -6.397 -6.683 1.00 0.00 C ATOM 174 CE1 PHE A 14 -18.567 -7.082 -8.587 1.00 0.00 C ATOM 175 CE2 PHE A 14 -17.066 -7.719 -6.838 1.00 0.00 C ATOM 176 CZ PHE A 14 -18.006 -8.061 -7.791 1.00 0.00 C ATOM 0 H PHE A 14 -17.539 -3.600 -9.671 1.00 0.00 H new ATOM 0 HA PHE A 14 -15.634 -2.431 -8.200 1.00 0.00 H new ATOM 0 HB2 PHE A 14 -16.361 -3.851 -6.332 1.00 0.00 H new ATOM 0 HB3 PHE A 14 -17.729 -3.345 -7.303 1.00 0.00 H new ATOM 0 HD1 PHE A 14 -18.631 -5.001 -9.052 1.00 0.00 H new ATOM 0 HD2 PHE A 14 -15.958 -6.134 -5.935 1.00 0.00 H new ATOM 0 HE1 PHE A 14 -19.301 -7.347 -9.334 1.00 0.00 H new ATOM 0 HE2 PHE A 14 -16.624 -8.483 -6.215 1.00 0.00 H new ATOM 0 HZ PHE A 14 -18.302 -9.093 -7.913 1.00 0.00 H new ATOM 186 N SER A 15 -14.694 -5.558 -8.757 1.00 0.00 N ATOM 187 CA SER A 15 -13.539 -6.447 -8.773 1.00 0.00 C ATOM 188 C SER A 15 -12.338 -5.766 -9.422 1.00 0.00 C ATOM 189 O SER A 15 -12.473 -4.945 -10.329 1.00 0.00 O ATOM 190 CB SER A 15 -13.873 -7.739 -9.522 1.00 0.00 C ATOM 191 OG SER A 15 -15.163 -8.210 -9.174 1.00 0.00 O ATOM 0 H SER A 15 -15.563 -5.991 -9.069 1.00 0.00 H new ATOM 0 HA SER A 15 -13.284 -6.689 -7.741 1.00 0.00 H new ATOM 0 HB2 SER A 15 -13.824 -7.563 -10.597 1.00 0.00 H new ATOM 0 HB3 SER A 15 -13.129 -8.501 -9.289 1.00 0.00 H new ATOM 0 HG SER A 15 -15.400 -7.885 -8.280 1.00 0.00 H new ATOM 197 N PRO A 16 -11.133 -6.113 -8.946 1.00 0.00 N ATOM 198 CA PRO A 16 -9.884 -5.548 -9.465 1.00 0.00 C ATOM 199 C PRO A 16 -9.573 -6.029 -10.879 1.00 0.00 C ATOM 200 O PRO A 16 -10.251 -6.909 -11.410 1.00 0.00 O ATOM 201 CB PRO A 16 -8.828 -6.060 -8.482 1.00 0.00 C ATOM 202 CG PRO A 16 -9.410 -7.308 -7.916 1.00 0.00 C ATOM 203 CD PRO A 16 -10.897 -7.086 -7.866 1.00 0.00 C ATOM 0 HA PRO A 16 -9.928 -4.461 -9.538 1.00 0.00 H new ATOM 0 HB2 PRO A 16 -7.882 -6.258 -8.985 1.00 0.00 H new ATOM 0 HB3 PRO A 16 -8.627 -5.327 -7.700 1.00 0.00 H new ATOM 0 HG2 PRO A 16 -9.165 -8.170 -8.537 1.00 0.00 H new ATOM 0 HG3 PRO A 16 -9.012 -7.508 -6.921 1.00 0.00 H new ATOM 0 HD2 PRO A 16 -11.447 -8.012 -8.032 1.00 0.00 H new ATOM 0 HD3 PRO A 16 -11.213 -6.697 -6.898 1.00 0.00 H new ATOM 211 N LYS A 17 -8.544 -5.446 -11.484 1.00 0.00 N ATOM 212 CA LYS A 17 -8.141 -5.816 -12.836 1.00 0.00 C ATOM 213 C LYS A 17 -6.623 -5.783 -12.980 1.00 0.00 C ATOM 214 O LYS A 17 -5.932 -5.098 -12.224 1.00 0.00 O ATOM 215 CB LYS A 17 -8.782 -4.873 -13.857 1.00 0.00 C ATOM 216 CG LYS A 17 -10.233 -4.543 -13.553 1.00 0.00 C ATOM 217 CD LYS A 17 -10.930 -3.935 -14.759 1.00 0.00 C ATOM 218 CE LYS A 17 -11.568 -5.004 -15.633 1.00 0.00 C ATOM 219 NZ LYS A 17 -12.946 -5.341 -15.180 1.00 0.00 N ATOM 0 H LYS A 17 -7.973 -4.715 -11.059 1.00 0.00 H new ATOM 0 HA LYS A 17 -8.484 -6.833 -13.025 1.00 0.00 H new ATOM 0 HB2 LYS A 17 -8.208 -3.947 -13.895 1.00 0.00 H new ATOM 0 HB3 LYS A 17 -8.721 -5.326 -14.846 1.00 0.00 H new ATOM 0 HG2 LYS A 17 -10.757 -5.449 -13.247 1.00 0.00 H new ATOM 0 HG3 LYS A 17 -10.281 -3.848 -12.715 1.00 0.00 H new ATOM 0 HD2 LYS A 17 -11.694 -3.234 -14.423 1.00 0.00 H new ATOM 0 HD3 LYS A 17 -10.211 -3.365 -15.347 1.00 0.00 H new ATOM 0 HE2 LYS A 17 -11.600 -4.657 -16.666 1.00 0.00 H new ATOM 0 HE3 LYS A 17 -10.951 -5.902 -15.617 1.00 0.00 H new ATOM 0 HZ1 LYS A 17 -13.414 -5.928 -15.900 1.00 0.00 H new ATOM 0 HZ2 LYS A 17 -12.898 -5.865 -14.283 1.00 0.00 H new ATOM 0 HZ3 LYS A 17 -13.489 -4.465 -15.041 1.00 0.00 H new ATOM 233 N CYS A 18 -6.109 -6.525 -13.955 1.00 0.00 N ATOM 234 CA CYS A 18 -4.673 -6.580 -14.199 1.00 0.00 C ATOM 235 C CYS A 18 -4.121 -5.192 -14.512 1.00 0.00 C ATOM 236 O CYS A 18 -4.751 -4.407 -15.219 1.00 0.00 O ATOM 237 CB CYS A 18 -4.367 -7.535 -15.354 1.00 0.00 C ATOM 238 SG CYS A 18 -2.819 -7.160 -16.239 1.00 0.00 S ATOM 0 H CYS A 18 -6.666 -7.097 -14.589 1.00 0.00 H new ATOM 0 HA CYS A 18 -4.190 -6.948 -13.294 1.00 0.00 H new ATOM 0 HB2 CYS A 18 -4.314 -8.552 -14.966 1.00 0.00 H new ATOM 0 HB3 CYS A 18 -5.194 -7.507 -16.063 1.00 0.00 H new ATOM 243 N GLY A 19 -2.939 -4.897 -13.980 1.00 0.00 N ATOM 244 CA GLY A 19 -2.322 -3.605 -14.214 1.00 0.00 C ATOM 245 C GLY A 19 -1.640 -3.523 -15.565 1.00 0.00 C ATOM 246 O GLY A 19 -0.587 -2.903 -15.701 1.00 0.00 O ATOM 0 H GLY A 19 -2.398 -5.530 -13.391 1.00 0.00 H new ATOM 0 HA2 GLY A 19 -3.081 -2.826 -14.146 1.00 0.00 H new ATOM 0 HA3 GLY A 19 -1.592 -3.407 -13.429 1.00 0.00 H new ATOM 250 N GLY A 20 -2.243 -4.154 -16.569 1.00 0.00 N ATOM 251 CA GLY A 20 -1.672 -4.140 -17.903 1.00 0.00 C ATOM 252 C GLY A 20 -2.732 -4.161 -18.987 1.00 0.00 C ATOM 253 O GLY A 20 -2.742 -3.306 -19.873 1.00 0.00 O ATOM 0 H GLY A 20 -3.116 -4.674 -16.482 1.00 0.00 H new ATOM 0 HA2 GLY A 20 -1.054 -3.250 -18.021 1.00 0.00 H new ATOM 0 HA3 GLY A 20 -1.016 -5.002 -18.023 1.00 0.00 H new ATOM 257 N CYS A 21 -3.625 -5.142 -18.919 1.00 0.00 N ATOM 258 CA CYS A 21 -4.693 -5.274 -19.903 1.00 0.00 C ATOM 259 C CYS A 21 -6.003 -4.707 -19.363 1.00 0.00 C ATOM 260 O CYS A 21 -6.975 -4.552 -20.101 1.00 0.00 O ATOM 261 CB CYS A 21 -4.881 -6.742 -20.290 1.00 0.00 C ATOM 262 SG CYS A 21 -3.361 -7.741 -20.176 1.00 0.00 S ATOM 0 H CYS A 21 -3.631 -5.858 -18.192 1.00 0.00 H new ATOM 0 HA CYS A 21 -4.409 -4.706 -20.789 1.00 0.00 H new ATOM 0 HB2 CYS A 21 -5.642 -7.182 -19.645 1.00 0.00 H new ATOM 0 HB3 CYS A 21 -5.260 -6.792 -21.311 1.00 0.00 H new ATOM 267 N ASN A 22 -6.021 -4.401 -18.070 1.00 0.00 N ATOM 268 CA ASN A 22 -7.211 -3.852 -17.430 1.00 0.00 C ATOM 269 C ASN A 22 -8.374 -4.837 -17.509 1.00 0.00 C ATOM 270 O ASN A 22 -9.511 -4.449 -17.779 1.00 0.00 O ATOM 271 CB ASN A 22 -7.604 -2.528 -18.088 1.00 0.00 C ATOM 272 CG ASN A 22 -6.544 -1.458 -17.912 1.00 0.00 C ATOM 273 OD1 ASN A 22 -5.615 -1.350 -18.713 1.00 0.00 O ATOM 274 ND2 ASN A 22 -6.678 -0.660 -16.859 1.00 0.00 N ATOM 0 H ASN A 22 -5.225 -4.524 -17.444 1.00 0.00 H new ATOM 0 HA ASN A 22 -6.979 -3.674 -16.380 1.00 0.00 H new ATOM 0 HB2 ASN A 22 -7.778 -2.692 -19.151 1.00 0.00 H new ATOM 0 HB3 ASN A 22 -8.544 -2.178 -17.661 1.00 0.00 H new ATOM 0 HD21 ASN A 22 -5.995 0.078 -16.688 1.00 0.00 H new ATOM 0 HD22 ASN A 22 -7.464 -0.785 -16.221 1.00 0.00 H new ATOM 281 N ARG A 23 -8.080 -6.111 -17.271 1.00 0.00 N ATOM 282 CA ARG A 23 -9.101 -7.151 -17.316 1.00 0.00 C ATOM 283 C ARG A 23 -9.395 -7.684 -15.916 1.00 0.00 C ATOM 284 O ARG A 23 -8.537 -7.690 -15.034 1.00 0.00 O ATOM 285 CB ARG A 23 -8.652 -8.296 -18.225 1.00 0.00 C ATOM 286 CG ARG A 23 -8.574 -7.913 -19.694 1.00 0.00 C ATOM 287 CD ARG A 23 -8.580 -9.141 -20.591 1.00 0.00 C ATOM 288 NE ARG A 23 -7.280 -9.807 -20.616 1.00 0.00 N ATOM 289 CZ ARG A 23 -6.932 -10.704 -21.531 1.00 0.00 C ATOM 290 NH1 ARG A 23 -7.781 -11.041 -22.491 1.00 0.00 N ATOM 291 NH2 ARG A 23 -5.730 -11.267 -21.486 1.00 0.00 N ATOM 0 H ARG A 23 -7.144 -6.448 -17.045 1.00 0.00 H new ATOM 0 HA ARG A 23 -10.014 -6.713 -17.719 1.00 0.00 H new ATOM 0 HB2 ARG A 23 -7.673 -8.646 -17.897 1.00 0.00 H new ATOM 0 HB3 ARG A 23 -9.344 -9.131 -18.112 1.00 0.00 H new ATOM 0 HG2 ARG A 23 -9.417 -7.271 -19.949 1.00 0.00 H new ATOM 0 HG3 ARG A 23 -7.667 -7.335 -19.873 1.00 0.00 H new ATOM 0 HD2 ARG A 23 -9.339 -9.841 -20.242 1.00 0.00 H new ATOM 0 HD3 ARG A 23 -8.857 -8.849 -21.604 1.00 0.00 H new ATOM 0 HE ARG A 23 -6.603 -9.570 -19.891 1.00 0.00 H new ATOM 0 HH11 ARG A 23 -8.705 -10.611 -22.529 1.00 0.00 H new ATOM 0 HH12 ARG A 23 -7.510 -11.730 -23.192 1.00 0.00 H new ATOM 0 HH21 ARG A 23 -5.074 -11.010 -20.748 1.00 0.00 H new ATOM 0 HH22 ARG A 23 -5.463 -11.956 -22.189 1.00 0.00 H new ATOM 305 N PRO A 24 -10.639 -8.141 -15.707 1.00 0.00 N ATOM 306 CA PRO A 24 -11.076 -8.684 -14.417 1.00 0.00 C ATOM 307 C PRO A 24 -10.424 -10.026 -14.102 1.00 0.00 C ATOM 308 O PRO A 24 -10.843 -11.065 -14.612 1.00 0.00 O ATOM 309 CB PRO A 24 -12.587 -8.852 -14.597 1.00 0.00 C ATOM 310 CG PRO A 24 -12.779 -9.005 -16.066 1.00 0.00 C ATOM 311 CD PRO A 24 -11.714 -8.163 -16.713 1.00 0.00 C ATOM 0 HA PRO A 24 -10.802 -8.033 -13.587 1.00 0.00 H new ATOM 0 HB2 PRO A 24 -12.955 -9.724 -14.057 1.00 0.00 H new ATOM 0 HB3 PRO A 24 -13.130 -7.987 -14.215 1.00 0.00 H new ATOM 0 HG2 PRO A 24 -12.686 -10.049 -16.365 1.00 0.00 H new ATOM 0 HG3 PRO A 24 -13.773 -8.675 -16.366 1.00 0.00 H new ATOM 0 HD2 PRO A 24 -11.375 -8.597 -17.654 1.00 0.00 H new ATOM 0 HD3 PRO A 24 -12.076 -7.159 -16.937 1.00 0.00 H new ATOM 319 N VAL A 25 -9.397 -9.996 -13.259 1.00 0.00 N ATOM 320 CA VAL A 25 -8.688 -11.211 -12.875 1.00 0.00 C ATOM 321 C VAL A 25 -9.443 -11.968 -11.788 1.00 0.00 C ATOM 322 O VAL A 25 -9.708 -11.430 -10.712 1.00 0.00 O ATOM 323 CB VAL A 25 -7.266 -10.897 -12.373 1.00 0.00 C ATOM 324 CG1 VAL A 25 -6.275 -10.918 -13.527 1.00 0.00 C ATOM 325 CG2 VAL A 25 -7.238 -9.553 -11.661 1.00 0.00 C ATOM 0 H VAL A 25 -9.037 -9.144 -12.829 1.00 0.00 H new ATOM 0 HA VAL A 25 -8.621 -11.833 -13.768 1.00 0.00 H new ATOM 0 HB VAL A 25 -6.973 -11.667 -11.660 1.00 0.00 H new ATOM 0 HG11 VAL A 25 -5.276 -10.694 -13.153 1.00 0.00 H new ATOM 0 HG12 VAL A 25 -6.276 -11.905 -13.990 1.00 0.00 H new ATOM 0 HG13 VAL A 25 -6.562 -10.170 -14.266 1.00 0.00 H new ATOM 0 HG21 VAL A 25 -6.226 -9.347 -11.313 1.00 0.00 H new ATOM 0 HG22 VAL A 25 -7.551 -8.769 -12.351 1.00 0.00 H new ATOM 0 HG23 VAL A 25 -7.917 -9.579 -10.809 1.00 0.00 H new ATOM 335 N LEU A 26 -9.787 -13.218 -12.076 1.00 0.00 N ATOM 336 CA LEU A 26 -10.512 -14.051 -11.122 1.00 0.00 C ATOM 337 C LEU A 26 -9.587 -15.085 -10.488 1.00 0.00 C ATOM 338 O LEU A 26 -9.365 -15.073 -9.278 1.00 0.00 O ATOM 339 CB LEU A 26 -11.682 -14.753 -11.814 1.00 0.00 C ATOM 340 CG LEU A 26 -12.656 -13.848 -12.570 1.00 0.00 C ATOM 341 CD1 LEU A 26 -13.272 -14.590 -13.745 1.00 0.00 C ATOM 342 CD2 LEU A 26 -13.740 -13.333 -11.635 1.00 0.00 C ATOM 0 H LEU A 26 -9.576 -13.677 -12.962 1.00 0.00 H new ATOM 0 HA LEU A 26 -10.898 -13.405 -10.334 1.00 0.00 H new ATOM 0 HB2 LEU A 26 -11.278 -15.484 -12.515 1.00 0.00 H new ATOM 0 HB3 LEU A 26 -12.243 -15.308 -11.062 1.00 0.00 H new ATOM 0 HG LEU A 26 -12.101 -12.993 -12.957 1.00 0.00 H new ATOM 0 HD11 LEU A 26 -13.962 -13.930 -14.271 1.00 0.00 H new ATOM 0 HD12 LEU A 26 -12.484 -14.909 -14.427 1.00 0.00 H new ATOM 0 HD13 LEU A 26 -13.812 -15.464 -13.381 1.00 0.00 H new ATOM 0 HD21 LEU A 26 -14.424 -12.691 -12.190 1.00 0.00 H new ATOM 0 HD22 LEU A 26 -14.291 -14.176 -11.218 1.00 0.00 H new ATOM 0 HD23 LEU A 26 -13.282 -12.763 -10.826 1.00 0.00 H new ATOM 354 N GLU A 27 -9.049 -15.976 -11.315 1.00 0.00 N ATOM 355 CA GLU A 27 -8.146 -17.015 -10.835 1.00 0.00 C ATOM 356 C GLU A 27 -6.726 -16.779 -11.340 1.00 0.00 C ATOM 357 O GLU A 27 -6.471 -15.835 -12.086 1.00 0.00 O ATOM 358 CB GLU A 27 -8.636 -18.394 -11.282 1.00 0.00 C ATOM 359 CG GLU A 27 -10.134 -18.457 -11.532 1.00 0.00 C ATOM 360 CD GLU A 27 -10.936 -18.535 -10.248 1.00 0.00 C ATOM 361 OE1 GLU A 27 -10.564 -19.334 -9.363 1.00 0.00 O ATOM 362 OE2 GLU A 27 -11.936 -17.797 -10.128 1.00 0.00 O ATOM 0 H GLU A 27 -9.223 -15.999 -12.320 1.00 0.00 H new ATOM 0 HA GLU A 27 -8.136 -16.976 -9.746 1.00 0.00 H new ATOM 0 HB2 GLU A 27 -8.112 -18.678 -12.194 1.00 0.00 H new ATOM 0 HB3 GLU A 27 -8.372 -19.128 -10.521 1.00 0.00 H new ATOM 0 HG2 GLU A 27 -10.442 -17.576 -12.096 1.00 0.00 H new ATOM 0 HG3 GLU A 27 -10.359 -19.326 -12.150 1.00 0.00 H new ATOM 369 N ASN A 28 -5.805 -17.644 -10.926 1.00 0.00 N ATOM 370 CA ASN A 28 -4.410 -17.530 -11.336 1.00 0.00 C ATOM 371 C ASN A 28 -4.006 -16.066 -11.488 1.00 0.00 C ATOM 372 O ASN A 28 -3.459 -15.666 -12.516 1.00 0.00 O ATOM 373 CB ASN A 28 -4.181 -18.273 -12.653 1.00 0.00 C ATOM 374 CG ASN A 28 -3.742 -19.709 -12.438 1.00 0.00 C ATOM 375 OD1 ASN A 28 -4.409 -20.646 -12.878 1.00 0.00 O ATOM 376 ND2 ASN A 28 -2.616 -19.887 -11.758 1.00 0.00 N ATOM 0 H ASN A 28 -6.000 -18.431 -10.307 1.00 0.00 H new ATOM 0 HA ASN A 28 -3.791 -17.981 -10.560 1.00 0.00 H new ATOM 0 HB2 ASN A 28 -5.100 -18.261 -13.239 1.00 0.00 H new ATOM 0 HB3 ASN A 28 -3.425 -17.748 -13.236 1.00 0.00 H new ATOM 0 HD21 ASN A 28 -2.271 -20.830 -11.581 1.00 0.00 H new ATOM 0 HD22 ASN A 28 -2.096 -19.080 -11.412 1.00 0.00 H new ATOM 383 N TYR A 29 -4.279 -15.273 -10.458 1.00 0.00 N ATOM 384 CA TYR A 29 -3.946 -13.854 -10.477 1.00 0.00 C ATOM 385 C TYR A 29 -2.997 -13.501 -9.336 1.00 0.00 C ATOM 386 O TYR A 29 -3.016 -14.133 -8.279 1.00 0.00 O ATOM 387 CB TYR A 29 -5.217 -13.009 -10.377 1.00 0.00 C ATOM 388 CG TYR A 29 -5.808 -12.966 -8.986 1.00 0.00 C ATOM 389 CD1 TYR A 29 -5.348 -12.056 -8.042 1.00 0.00 C ATOM 390 CD2 TYR A 29 -6.827 -13.835 -8.616 1.00 0.00 C ATOM 391 CE1 TYR A 29 -5.884 -12.013 -6.770 1.00 0.00 C ATOM 392 CE2 TYR A 29 -7.370 -13.799 -7.346 1.00 0.00 C ATOM 393 CZ TYR A 29 -6.895 -12.887 -6.427 1.00 0.00 C ATOM 394 OH TYR A 29 -7.433 -12.847 -5.161 1.00 0.00 O ATOM 0 H TYR A 29 -4.730 -15.589 -9.599 1.00 0.00 H new ATOM 0 HA TYR A 29 -3.446 -13.637 -11.421 1.00 0.00 H new ATOM 0 HB2 TYR A 29 -4.993 -11.992 -10.699 1.00 0.00 H new ATOM 0 HB3 TYR A 29 -5.962 -13.405 -11.067 1.00 0.00 H new ATOM 0 HD1 TYR A 29 -4.557 -11.370 -8.308 1.00 0.00 H new ATOM 0 HD2 TYR A 29 -7.201 -14.551 -9.333 1.00 0.00 H new ATOM 0 HE1 TYR A 29 -5.514 -11.300 -6.048 1.00 0.00 H new ATOM 0 HE2 TYR A 29 -8.162 -14.481 -7.075 1.00 0.00 H new ATOM 0 HH TYR A 29 -8.135 -13.526 -5.082 1.00 0.00 H new ATOM 404 N LEU A 30 -2.167 -12.488 -9.557 1.00 0.00 N ATOM 405 CA LEU A 30 -1.209 -12.049 -8.548 1.00 0.00 C ATOM 406 C LEU A 30 -1.696 -10.783 -7.850 1.00 0.00 C ATOM 407 O LEU A 30 -2.656 -10.150 -8.289 1.00 0.00 O ATOM 408 CB LEU A 30 0.157 -11.799 -9.189 1.00 0.00 C ATOM 409 CG LEU A 30 0.520 -12.698 -10.371 1.00 0.00 C ATOM 410 CD1 LEU A 30 -0.161 -12.212 -11.640 1.00 0.00 C ATOM 411 CD2 LEU A 30 2.029 -12.750 -10.559 1.00 0.00 C ATOM 0 H LEU A 30 -2.138 -11.955 -10.426 1.00 0.00 H new ATOM 0 HA LEU A 30 -1.115 -12.839 -7.803 1.00 0.00 H new ATOM 0 HB2 LEU A 30 0.195 -10.762 -9.522 1.00 0.00 H new ATOM 0 HB3 LEU A 30 0.922 -11.915 -8.422 1.00 0.00 H new ATOM 0 HG LEU A 30 0.166 -13.707 -10.157 1.00 0.00 H new ATOM 0 HD11 LEU A 30 0.109 -12.864 -12.471 1.00 0.00 H new ATOM 0 HD12 LEU A 30 -1.242 -12.229 -11.502 1.00 0.00 H new ATOM 0 HD13 LEU A 30 0.161 -11.194 -11.859 1.00 0.00 H new ATOM 0 HD21 LEU A 30 2.268 -13.395 -11.405 1.00 0.00 H new ATOM 0 HD22 LEU A 30 2.407 -11.746 -10.750 1.00 0.00 H new ATOM 0 HD23 LEU A 30 2.495 -13.147 -9.657 1.00 0.00 H new ATOM 423 N SER A 31 -1.025 -10.418 -6.762 1.00 0.00 N ATOM 424 CA SER A 31 -1.390 -9.229 -6.002 1.00 0.00 C ATOM 425 C SER A 31 -0.154 -8.403 -5.659 1.00 0.00 C ATOM 426 O SER A 31 0.542 -8.682 -4.683 1.00 0.00 O ATOM 427 CB SER A 31 -2.126 -9.623 -4.720 1.00 0.00 C ATOM 428 OG SER A 31 -3.525 -9.692 -4.936 1.00 0.00 O ATOM 0 H SER A 31 -0.226 -10.929 -6.387 1.00 0.00 H new ATOM 0 HA SER A 31 -2.051 -8.622 -6.620 1.00 0.00 H new ATOM 0 HB2 SER A 31 -1.761 -10.588 -4.369 1.00 0.00 H new ATOM 0 HB3 SER A 31 -1.911 -8.897 -3.936 1.00 0.00 H new ATOM 0 HG SER A 31 -3.973 -9.947 -4.102 1.00 0.00 H new ATOM 434 N ALA A 32 0.113 -7.384 -6.470 1.00 0.00 N ATOM 435 CA ALA A 32 1.264 -6.516 -6.252 1.00 0.00 C ATOM 436 C ALA A 32 0.867 -5.046 -6.343 1.00 0.00 C ATOM 437 O ALA A 32 -0.192 -4.711 -6.872 1.00 0.00 O ATOM 438 CB ALA A 32 2.361 -6.832 -7.258 1.00 0.00 C ATOM 0 H ALA A 32 -0.452 -7.140 -7.283 1.00 0.00 H new ATOM 0 HA ALA A 32 1.644 -6.702 -5.247 1.00 0.00 H new ATOM 0 HB1 ALA A 32 3.214 -6.177 -7.084 1.00 0.00 H new ATOM 0 HB2 ALA A 32 2.672 -7.870 -7.143 1.00 0.00 H new ATOM 0 HB3 ALA A 32 1.984 -6.676 -8.269 1.00 0.00 H new ATOM 444 N MET A 33 1.724 -4.174 -5.822 1.00 0.00 N ATOM 445 CA MET A 33 1.462 -2.740 -5.845 1.00 0.00 C ATOM 446 C MET A 33 0.051 -2.436 -5.351 1.00 0.00 C ATOM 447 O MET A 33 -0.639 -1.579 -5.903 1.00 0.00 O ATOM 448 CB MET A 33 1.650 -2.188 -7.260 1.00 0.00 C ATOM 449 CG MET A 33 3.050 -2.395 -7.812 1.00 0.00 C ATOM 450 SD MET A 33 3.461 -1.225 -9.121 1.00 0.00 S ATOM 451 CE MET A 33 4.729 -2.133 -10.001 1.00 0.00 C ATOM 0 H MET A 33 2.605 -4.435 -5.379 1.00 0.00 H new ATOM 0 HA MET A 33 2.174 -2.256 -5.176 1.00 0.00 H new ATOM 0 HB2 MET A 33 0.931 -2.666 -7.926 1.00 0.00 H new ATOM 0 HB3 MET A 33 1.423 -1.122 -7.258 1.00 0.00 H new ATOM 0 HG2 MET A 33 3.773 -2.297 -7.003 1.00 0.00 H new ATOM 0 HG3 MET A 33 3.138 -3.411 -8.197 1.00 0.00 H new ATOM 0 HE1 MET A 33 5.035 -1.569 -10.883 1.00 0.00 H new ATOM 0 HE2 MET A 33 5.590 -2.281 -9.349 1.00 0.00 H new ATOM 0 HE3 MET A 33 4.336 -3.102 -10.308 1.00 0.00 H new ATOM 461 N ASP A 34 -0.371 -3.145 -4.311 1.00 0.00 N ATOM 462 CA ASP A 34 -1.700 -2.951 -3.742 1.00 0.00 C ATOM 463 C ASP A 34 -2.781 -3.197 -4.791 1.00 0.00 C ATOM 464 O ASP A 34 -3.890 -2.671 -4.691 1.00 0.00 O ATOM 465 CB ASP A 34 -1.835 -1.537 -3.175 1.00 0.00 C ATOM 466 CG ASP A 34 -1.085 -1.363 -1.869 1.00 0.00 C ATOM 467 OD1 ASP A 34 0.116 -1.022 -1.916 1.00 0.00 O ATOM 468 OD2 ASP A 34 -1.698 -1.569 -0.801 1.00 0.00 O ATOM 0 H ASP A 34 0.187 -3.860 -3.844 1.00 0.00 H new ATOM 0 HA ASP A 34 -1.831 -3.671 -2.934 1.00 0.00 H new ATOM 0 HB2 ASP A 34 -1.460 -0.819 -3.904 1.00 0.00 H new ATOM 0 HB3 ASP A 34 -2.890 -1.311 -3.018 1.00 0.00 H new ATOM 473 N THR A 35 -2.450 -4.000 -5.797 1.00 0.00 N ATOM 474 CA THR A 35 -3.391 -4.314 -6.866 1.00 0.00 C ATOM 475 C THR A 35 -3.181 -5.732 -7.384 1.00 0.00 C ATOM 476 O THR A 35 -2.350 -6.477 -6.864 1.00 0.00 O ATOM 477 CB THR A 35 -3.258 -3.325 -8.040 1.00 0.00 C ATOM 478 OG1 THR A 35 -4.528 -3.145 -8.674 1.00 0.00 O ATOM 479 CG2 THR A 35 -2.243 -3.826 -9.057 1.00 0.00 C ATOM 0 H THR A 35 -1.537 -4.445 -5.894 1.00 0.00 H new ATOM 0 HA THR A 35 -4.391 -4.230 -6.442 1.00 0.00 H new ATOM 0 HB THR A 35 -2.911 -2.370 -7.645 1.00 0.00 H new ATOM 0 HG1 THR A 35 -4.436 -2.514 -9.418 1.00 0.00 H new ATOM 0 HG21 THR A 35 -2.166 -3.112 -9.877 1.00 0.00 H new ATOM 0 HG22 THR A 35 -1.270 -3.934 -8.577 1.00 0.00 H new ATOM 0 HG23 THR A 35 -2.565 -4.792 -9.447 1.00 0.00 H new ATOM 487 N VAL A 36 -3.939 -6.099 -8.412 1.00 0.00 N ATOM 488 CA VAL A 36 -3.834 -7.429 -9.002 1.00 0.00 C ATOM 489 C VAL A 36 -3.140 -7.375 -10.359 1.00 0.00 C ATOM 490 O VAL A 36 -3.137 -6.339 -11.025 1.00 0.00 O ATOM 491 CB VAL A 36 -5.221 -8.078 -9.173 1.00 0.00 C ATOM 492 CG1 VAL A 36 -5.922 -8.201 -7.829 1.00 0.00 C ATOM 493 CG2 VAL A 36 -6.066 -7.278 -10.153 1.00 0.00 C ATOM 0 H VAL A 36 -4.632 -5.495 -8.854 1.00 0.00 H new ATOM 0 HA VAL A 36 -3.240 -8.033 -8.317 1.00 0.00 H new ATOM 0 HB VAL A 36 -5.086 -9.081 -9.579 1.00 0.00 H new ATOM 0 HG11 VAL A 36 -6.900 -8.661 -7.970 1.00 0.00 H new ATOM 0 HG12 VAL A 36 -5.322 -8.819 -7.161 1.00 0.00 H new ATOM 0 HG13 VAL A 36 -6.047 -7.210 -7.392 1.00 0.00 H new ATOM 0 HG21 VAL A 36 -7.042 -7.751 -10.262 1.00 0.00 H new ATOM 0 HG22 VAL A 36 -6.194 -6.262 -9.778 1.00 0.00 H new ATOM 0 HG23 VAL A 36 -5.568 -7.247 -11.122 1.00 0.00 H new ATOM 503 N TRP A 37 -2.554 -8.496 -10.762 1.00 0.00 N ATOM 504 CA TRP A 37 -1.856 -8.576 -12.040 1.00 0.00 C ATOM 505 C TRP A 37 -2.085 -9.932 -12.701 1.00 0.00 C ATOM 506 O TRP A 37 -2.746 -10.804 -12.137 1.00 0.00 O ATOM 507 CB TRP A 37 -0.358 -8.338 -11.843 1.00 0.00 C ATOM 508 CG TRP A 37 -0.039 -6.973 -11.314 1.00 0.00 C ATOM 509 CD1 TRP A 37 -0.051 -6.577 -10.007 1.00 0.00 C ATOM 510 CD2 TRP A 37 0.337 -5.823 -12.080 1.00 0.00 C ATOM 511 NE1 TRP A 37 0.296 -5.251 -9.914 1.00 0.00 N ATOM 512 CE2 TRP A 37 0.539 -4.765 -11.172 1.00 0.00 C ATOM 513 CE3 TRP A 37 0.525 -5.584 -13.444 1.00 0.00 C ATOM 514 CZ2 TRP A 37 0.918 -3.491 -11.586 1.00 0.00 C ATOM 515 CZ3 TRP A 37 0.900 -4.319 -13.853 1.00 0.00 C ATOM 516 CH2 TRP A 37 1.095 -3.286 -12.927 1.00 0.00 C ATOM 0 H TRP A 37 -2.548 -9.362 -10.223 1.00 0.00 H new ATOM 0 HA TRP A 37 -2.257 -7.801 -12.693 1.00 0.00 H new ATOM 0 HB2 TRP A 37 0.034 -9.087 -11.156 1.00 0.00 H new ATOM 0 HB3 TRP A 37 0.154 -8.480 -12.795 1.00 0.00 H new ATOM 0 HD1 TRP A 37 -0.297 -7.213 -9.169 1.00 0.00 H new ATOM 0 HE1 TRP A 37 0.362 -4.715 -9.049 1.00 0.00 H new ATOM 0 HE3 TRP A 37 0.380 -6.374 -14.166 1.00 0.00 H new ATOM 0 HZ2 TRP A 37 1.067 -2.693 -10.874 1.00 0.00 H new ATOM 0 HZ3 TRP A 37 1.045 -4.123 -14.905 1.00 0.00 H new ATOM 0 HH2 TRP A 37 1.391 -2.309 -13.279 1.00 0.00 H new ATOM 527 N HIS A 38 -1.535 -10.102 -13.899 1.00 0.00 N ATOM 528 CA HIS A 38 -1.680 -11.352 -14.636 1.00 0.00 C ATOM 529 C HIS A 38 -0.372 -12.138 -14.634 1.00 0.00 C ATOM 530 O HIS A 38 0.719 -11.575 -14.732 1.00 0.00 O ATOM 531 CB HIS A 38 -2.119 -11.074 -16.074 1.00 0.00 C ATOM 532 CG HIS A 38 -3.606 -11.062 -16.254 1.00 0.00 C ATOM 533 ND1 HIS A 38 -4.241 -10.309 -17.219 1.00 0.00 N ATOM 534 CD2 HIS A 38 -4.584 -11.719 -15.587 1.00 0.00 C ATOM 535 CE1 HIS A 38 -5.545 -10.502 -17.137 1.00 0.00 C ATOM 536 NE2 HIS A 38 -5.779 -11.353 -16.155 1.00 0.00 N ATOM 0 H HIS A 38 -0.985 -9.390 -14.380 1.00 0.00 H new ATOM 0 HA HIS A 38 -2.445 -11.950 -14.141 1.00 0.00 H new ATOM 0 HB2 HIS A 38 -1.715 -10.112 -16.389 1.00 0.00 H new ATOM 0 HB3 HIS A 38 -1.688 -11.831 -16.730 1.00 0.00 H new ATOM 0 HD2 HIS A 38 -4.449 -12.403 -14.762 1.00 0.00 H new ATOM 0 HE1 HIS A 38 -6.293 -10.042 -17.766 1.00 0.00 H new ATOM 0 HE2 HIS A 38 -6.699 -11.685 -15.865 1.00 0.00 H new ATOM 544 N PRO A 39 -0.481 -13.470 -14.519 1.00 0.00 N ATOM 545 CA PRO A 39 0.683 -14.361 -14.501 1.00 0.00 C ATOM 546 C PRO A 39 1.376 -14.436 -15.857 1.00 0.00 C ATOM 547 O PRO A 39 2.284 -15.243 -16.056 1.00 0.00 O ATOM 548 CB PRO A 39 0.084 -15.719 -14.130 1.00 0.00 C ATOM 549 CG PRO A 39 -1.335 -15.643 -14.578 1.00 0.00 C ATOM 550 CD PRO A 39 -1.749 -14.208 -14.398 1.00 0.00 C ATOM 0 HA PRO A 39 1.451 -14.015 -13.809 1.00 0.00 H new ATOM 0 HB2 PRO A 39 0.612 -16.533 -14.626 1.00 0.00 H new ATOM 0 HB3 PRO A 39 0.151 -15.902 -13.057 1.00 0.00 H new ATOM 0 HG2 PRO A 39 -1.433 -15.950 -15.619 1.00 0.00 H new ATOM 0 HG3 PRO A 39 -1.966 -16.308 -13.989 1.00 0.00 H new ATOM 0 HD2 PRO A 39 -2.468 -13.899 -15.157 1.00 0.00 H new ATOM 0 HD3 PRO A 39 -2.219 -14.044 -13.428 1.00 0.00 H new ATOM 558 N GLU A 40 0.941 -13.591 -16.787 1.00 0.00 N ATOM 559 CA GLU A 40 1.521 -13.564 -18.125 1.00 0.00 C ATOM 560 C GLU A 40 2.002 -12.160 -18.481 1.00 0.00 C ATOM 561 O GLU A 40 2.945 -11.992 -19.254 1.00 0.00 O ATOM 562 CB GLU A 40 0.498 -14.042 -19.157 1.00 0.00 C ATOM 563 CG GLU A 40 -0.648 -13.068 -19.375 1.00 0.00 C ATOM 564 CD GLU A 40 -1.800 -13.686 -20.144 1.00 0.00 C ATOM 565 OE1 GLU A 40 -1.748 -13.687 -21.392 1.00 0.00 O ATOM 566 OE2 GLU A 40 -2.753 -14.168 -19.497 1.00 0.00 O ATOM 0 H GLU A 40 0.190 -12.917 -16.639 1.00 0.00 H new ATOM 0 HA GLU A 40 2.379 -14.236 -18.136 1.00 0.00 H new ATOM 0 HB2 GLU A 40 1.005 -14.212 -20.107 1.00 0.00 H new ATOM 0 HB3 GLU A 40 0.092 -15.001 -18.836 1.00 0.00 H new ATOM 0 HG2 GLU A 40 -1.009 -12.715 -18.409 1.00 0.00 H new ATOM 0 HG3 GLU A 40 -0.281 -12.196 -19.916 1.00 0.00 H new ATOM 573 N CYS A 41 1.345 -11.154 -17.912 1.00 0.00 N ATOM 574 CA CYS A 41 1.703 -9.764 -18.169 1.00 0.00 C ATOM 575 C CYS A 41 2.733 -9.272 -17.157 1.00 0.00 C ATOM 576 O CYS A 41 3.742 -8.669 -17.525 1.00 0.00 O ATOM 577 CB CYS A 41 0.457 -8.877 -18.118 1.00 0.00 C ATOM 578 SG CYS A 41 -1.031 -9.643 -18.837 1.00 0.00 S ATOM 0 H CYS A 41 0.562 -11.276 -17.270 1.00 0.00 H new ATOM 0 HA CYS A 41 2.142 -9.706 -19.165 1.00 0.00 H new ATOM 0 HB2 CYS A 41 0.252 -8.616 -17.080 1.00 0.00 H new ATOM 0 HB3 CYS A 41 0.665 -7.946 -18.646 1.00 0.00 H new ATOM 583 N PHE A 42 2.472 -9.533 -15.880 1.00 0.00 N ATOM 584 CA PHE A 42 3.376 -9.117 -14.814 1.00 0.00 C ATOM 585 C PHE A 42 4.825 -9.429 -15.176 1.00 0.00 C ATOM 586 O PHE A 42 5.328 -10.515 -14.889 1.00 0.00 O ATOM 587 CB PHE A 42 3.005 -9.811 -13.502 1.00 0.00 C ATOM 588 CG PHE A 42 3.428 -9.047 -12.280 1.00 0.00 C ATOM 589 CD1 PHE A 42 3.099 -7.708 -12.135 1.00 0.00 C ATOM 590 CD2 PHE A 42 4.153 -9.667 -11.275 1.00 0.00 C ATOM 591 CE1 PHE A 42 3.487 -7.003 -11.012 1.00 0.00 C ATOM 592 CE2 PHE A 42 4.544 -8.967 -10.149 1.00 0.00 C ATOM 593 CZ PHE A 42 4.209 -7.633 -10.017 1.00 0.00 C ATOM 0 H PHE A 42 1.642 -10.031 -15.558 1.00 0.00 H new ATOM 0 HA PHE A 42 3.276 -8.039 -14.688 1.00 0.00 H new ATOM 0 HB2 PHE A 42 1.926 -9.961 -13.472 1.00 0.00 H new ATOM 0 HB3 PHE A 42 3.465 -10.799 -13.480 1.00 0.00 H new ATOM 0 HD1 PHE A 42 2.533 -7.210 -12.909 1.00 0.00 H new ATOM 0 HD2 PHE A 42 4.416 -10.710 -11.373 1.00 0.00 H new ATOM 0 HE1 PHE A 42 3.226 -5.960 -10.912 1.00 0.00 H new ATOM 0 HE2 PHE A 42 5.110 -9.462 -9.374 1.00 0.00 H new ATOM 0 HZ PHE A 42 4.511 -7.084 -9.137 1.00 0.00 H new ATOM 603 N VAL A 43 5.491 -8.469 -15.810 1.00 0.00 N ATOM 604 CA VAL A 43 6.882 -8.640 -16.212 1.00 0.00 C ATOM 605 C VAL A 43 7.643 -7.322 -16.135 1.00 0.00 C ATOM 606 O VAL A 43 7.042 -6.249 -16.058 1.00 0.00 O ATOM 607 CB VAL A 43 6.988 -9.199 -17.644 1.00 0.00 C ATOM 608 CG1 VAL A 43 6.276 -10.539 -17.749 1.00 0.00 C ATOM 609 CG2 VAL A 43 6.421 -8.205 -18.646 1.00 0.00 C ATOM 0 H VAL A 43 5.089 -7.564 -16.056 1.00 0.00 H new ATOM 0 HA VAL A 43 7.326 -9.353 -15.518 1.00 0.00 H new ATOM 0 HB VAL A 43 8.041 -9.356 -17.877 1.00 0.00 H new ATOM 0 HG11 VAL A 43 6.362 -10.918 -18.767 1.00 0.00 H new ATOM 0 HG12 VAL A 43 6.732 -11.248 -17.058 1.00 0.00 H new ATOM 0 HG13 VAL A 43 5.223 -10.412 -17.496 1.00 0.00 H new ATOM 0 HG21 VAL A 43 6.504 -8.616 -19.652 1.00 0.00 H new ATOM 0 HG22 VAL A 43 5.372 -8.015 -18.417 1.00 0.00 H new ATOM 0 HG23 VAL A 43 6.980 -7.271 -18.588 1.00 0.00 H new ATOM 619 N CYS A 44 8.969 -7.408 -16.156 1.00 0.00 N ATOM 620 CA CYS A 44 9.813 -6.221 -16.088 1.00 0.00 C ATOM 621 C CYS A 44 9.383 -5.187 -17.125 1.00 0.00 C ATOM 622 O CYS A 44 8.633 -5.495 -18.050 1.00 0.00 O ATOM 623 CB CYS A 44 11.279 -6.601 -16.308 1.00 0.00 C ATOM 624 SG CYS A 44 12.455 -5.250 -15.974 1.00 0.00 S ATOM 0 H CYS A 44 9.482 -8.287 -16.220 1.00 0.00 H new ATOM 0 HA CYS A 44 9.702 -5.782 -15.096 1.00 0.00 H new ATOM 0 HB2 CYS A 44 11.524 -7.448 -15.667 1.00 0.00 H new ATOM 0 HB3 CYS A 44 11.407 -6.933 -17.338 1.00 0.00 H new ATOM 629 N GLY A 45 9.865 -3.959 -16.962 1.00 0.00 N ATOM 630 CA GLY A 45 9.520 -2.898 -17.891 1.00 0.00 C ATOM 631 C GLY A 45 10.593 -2.671 -18.937 1.00 0.00 C ATOM 632 O GLY A 45 10.344 -2.041 -19.965 1.00 0.00 O ATOM 0 H GLY A 45 10.488 -3.680 -16.204 1.00 0.00 H new ATOM 0 HA2 GLY A 45 8.581 -3.144 -18.386 1.00 0.00 H new ATOM 0 HA3 GLY A 45 9.356 -1.974 -17.337 1.00 0.00 H new ATOM 636 N ASP A 46 11.790 -3.185 -18.675 1.00 0.00 N ATOM 637 CA ASP A 46 12.906 -3.035 -19.602 1.00 0.00 C ATOM 638 C ASP A 46 13.137 -4.322 -20.388 1.00 0.00 C ATOM 639 O ASP A 46 13.055 -4.336 -21.616 1.00 0.00 O ATOM 640 CB ASP A 46 14.177 -2.649 -18.845 1.00 0.00 C ATOM 641 CG ASP A 46 14.030 -1.341 -18.094 1.00 0.00 C ATOM 642 OD1 ASP A 46 13.887 -0.291 -18.754 1.00 0.00 O ATOM 643 OD2 ASP A 46 14.058 -1.367 -16.845 1.00 0.00 O ATOM 0 H ASP A 46 12.012 -3.709 -17.829 1.00 0.00 H new ATOM 0 HA ASP A 46 12.657 -2.241 -20.306 1.00 0.00 H new ATOM 0 HB2 ASP A 46 14.432 -3.442 -18.141 1.00 0.00 H new ATOM 0 HB3 ASP A 46 15.005 -2.569 -19.549 1.00 0.00 H new ATOM 648 N CYS A 47 13.426 -5.403 -19.670 1.00 0.00 N ATOM 649 CA CYS A 47 13.671 -6.695 -20.299 1.00 0.00 C ATOM 650 C CYS A 47 12.363 -7.451 -20.515 1.00 0.00 C ATOM 651 O CYS A 47 12.289 -8.363 -21.339 1.00 0.00 O ATOM 652 CB CYS A 47 14.621 -7.532 -19.439 1.00 0.00 C ATOM 653 SG CYS A 47 13.964 -7.945 -17.791 1.00 0.00 S ATOM 0 H CYS A 47 13.496 -5.409 -18.652 1.00 0.00 H new ATOM 0 HA CYS A 47 14.132 -6.517 -21.270 1.00 0.00 H new ATOM 0 HB2 CYS A 47 14.853 -8.456 -19.968 1.00 0.00 H new ATOM 0 HB3 CYS A 47 15.559 -6.989 -19.319 1.00 0.00 H new ATOM 658 N PHE A 48 11.334 -7.066 -19.768 1.00 0.00 N ATOM 659 CA PHE A 48 10.028 -7.708 -19.877 1.00 0.00 C ATOM 660 C PHE A 48 10.123 -9.193 -19.540 1.00 0.00 C ATOM 661 O PHE A 48 9.559 -10.037 -20.237 1.00 0.00 O ATOM 662 CB PHE A 48 9.464 -7.528 -21.288 1.00 0.00 C ATOM 663 CG PHE A 48 9.404 -6.095 -21.731 1.00 0.00 C ATOM 664 CD1 PHE A 48 8.353 -5.279 -21.342 1.00 0.00 C ATOM 665 CD2 PHE A 48 10.397 -5.562 -22.536 1.00 0.00 C ATOM 666 CE1 PHE A 48 8.294 -3.960 -21.749 1.00 0.00 C ATOM 667 CE2 PHE A 48 10.344 -4.243 -22.946 1.00 0.00 C ATOM 668 CZ PHE A 48 9.292 -3.441 -22.551 1.00 0.00 C ATOM 0 H PHE A 48 11.378 -6.313 -19.081 1.00 0.00 H new ATOM 0 HA PHE A 48 9.356 -7.233 -19.162 1.00 0.00 H new ATOM 0 HB2 PHE A 48 10.078 -8.092 -21.991 1.00 0.00 H new ATOM 0 HB3 PHE A 48 8.462 -7.954 -21.327 1.00 0.00 H new ATOM 0 HD1 PHE A 48 7.571 -5.679 -20.713 1.00 0.00 H new ATOM 0 HD2 PHE A 48 11.223 -6.185 -22.847 1.00 0.00 H new ATOM 0 HE1 PHE A 48 7.469 -3.335 -21.441 1.00 0.00 H new ATOM 0 HE2 PHE A 48 11.125 -3.840 -23.575 1.00 0.00 H new ATOM 0 HZ PHE A 48 9.249 -2.410 -22.868 1.00 0.00 H new ATOM 678 N THR A 49 10.840 -9.506 -18.465 1.00 0.00 N ATOM 679 CA THR A 49 11.011 -10.888 -18.035 1.00 0.00 C ATOM 680 C THR A 49 10.046 -11.236 -16.908 1.00 0.00 C ATOM 681 O THR A 49 9.664 -10.374 -16.117 1.00 0.00 O ATOM 682 CB THR A 49 12.452 -11.155 -17.563 1.00 0.00 C ATOM 683 OG1 THR A 49 12.652 -12.560 -17.372 1.00 0.00 O ATOM 684 CG2 THR A 49 12.743 -10.416 -16.266 1.00 0.00 C ATOM 0 H THR A 49 11.312 -8.820 -17.876 1.00 0.00 H new ATOM 0 HA THR A 49 10.798 -11.517 -18.899 1.00 0.00 H new ATOM 0 HB THR A 49 13.135 -10.791 -18.331 1.00 0.00 H new ATOM 0 HG1 THR A 49 13.571 -12.722 -17.073 1.00 0.00 H new ATOM 0 HG21 THR A 49 13.767 -10.620 -15.953 1.00 0.00 H new ATOM 0 HG22 THR A 49 12.618 -9.344 -16.422 1.00 0.00 H new ATOM 0 HG23 THR A 49 12.053 -10.753 -15.493 1.00 0.00 H new ATOM 692 N SER A 50 9.655 -12.505 -16.841 1.00 0.00 N ATOM 693 CA SER A 50 8.731 -12.966 -15.811 1.00 0.00 C ATOM 694 C SER A 50 9.301 -12.715 -14.418 1.00 0.00 C ATOM 695 O SER A 50 10.441 -12.273 -14.271 1.00 0.00 O ATOM 696 CB SER A 50 8.435 -14.456 -15.992 1.00 0.00 C ATOM 697 OG SER A 50 7.374 -14.872 -15.151 1.00 0.00 O ATOM 0 H SER A 50 9.963 -13.231 -17.487 1.00 0.00 H new ATOM 0 HA SER A 50 7.803 -12.403 -15.912 1.00 0.00 H new ATOM 0 HB2 SER A 50 8.178 -14.655 -17.032 1.00 0.00 H new ATOM 0 HB3 SER A 50 9.330 -15.037 -15.768 1.00 0.00 H new ATOM 0 HG SER A 50 7.204 -15.827 -15.287 1.00 0.00 H new ATOM 703 N PHE A 51 8.499 -13.000 -13.398 1.00 0.00 N ATOM 704 CA PHE A 51 8.921 -12.805 -12.016 1.00 0.00 C ATOM 705 C PHE A 51 8.773 -14.095 -11.214 1.00 0.00 C ATOM 706 O PHE A 51 7.753 -14.321 -10.564 1.00 0.00 O ATOM 707 CB PHE A 51 8.102 -11.689 -11.363 1.00 0.00 C ATOM 708 CG PHE A 51 8.393 -10.326 -11.922 1.00 0.00 C ATOM 709 CD1 PHE A 51 9.699 -9.888 -12.070 1.00 0.00 C ATOM 710 CD2 PHE A 51 7.361 -9.483 -12.299 1.00 0.00 C ATOM 711 CE1 PHE A 51 9.971 -8.634 -12.584 1.00 0.00 C ATOM 712 CE2 PHE A 51 7.626 -8.228 -12.814 1.00 0.00 C ATOM 713 CZ PHE A 51 8.933 -7.803 -12.956 1.00 0.00 C ATOM 0 H PHE A 51 7.553 -13.367 -13.502 1.00 0.00 H new ATOM 0 HA PHE A 51 9.973 -12.520 -12.021 1.00 0.00 H new ATOM 0 HB2 PHE A 51 7.041 -11.906 -11.490 1.00 0.00 H new ATOM 0 HB3 PHE A 51 8.300 -11.683 -10.291 1.00 0.00 H new ATOM 0 HD1 PHE A 51 10.514 -10.534 -11.780 1.00 0.00 H new ATOM 0 HD2 PHE A 51 6.338 -9.810 -12.189 1.00 0.00 H new ATOM 0 HE1 PHE A 51 10.994 -8.305 -12.694 1.00 0.00 H new ATOM 0 HE2 PHE A 51 6.812 -7.580 -13.105 1.00 0.00 H new ATOM 0 HZ PHE A 51 9.142 -6.822 -13.357 1.00 0.00 H new ATOM 723 N SER A 52 9.800 -14.938 -11.267 1.00 0.00 N ATOM 724 CA SER A 52 9.784 -16.208 -10.550 1.00 0.00 C ATOM 725 C SER A 52 11.089 -16.419 -9.789 1.00 0.00 C ATOM 726 O SER A 52 11.086 -16.656 -8.581 1.00 0.00 O ATOM 727 CB SER A 52 9.556 -17.365 -11.525 1.00 0.00 C ATOM 728 OG SER A 52 9.739 -18.615 -10.884 1.00 0.00 O ATOM 0 H SER A 52 10.653 -14.764 -11.799 1.00 0.00 H new ATOM 0 HA SER A 52 8.965 -16.181 -9.831 1.00 0.00 H new ATOM 0 HB2 SER A 52 8.547 -17.307 -11.934 1.00 0.00 H new ATOM 0 HB3 SER A 52 10.246 -17.279 -12.364 1.00 0.00 H new ATOM 0 HG SER A 52 9.586 -19.338 -11.528 1.00 0.00 H new ATOM 734 N THR A 53 12.206 -16.330 -10.506 1.00 0.00 N ATOM 735 CA THR A 53 13.519 -16.512 -9.900 1.00 0.00 C ATOM 736 C THR A 53 13.657 -15.684 -8.628 1.00 0.00 C ATOM 737 O THR A 53 14.100 -16.184 -7.595 1.00 0.00 O ATOM 738 CB THR A 53 14.646 -16.126 -10.877 1.00 0.00 C ATOM 739 OG1 THR A 53 14.513 -14.752 -11.259 1.00 0.00 O ATOM 740 CG2 THR A 53 14.615 -17.008 -12.115 1.00 0.00 C ATOM 0 H THR A 53 12.227 -16.133 -11.507 1.00 0.00 H new ATOM 0 HA THR A 53 13.610 -17.570 -9.652 1.00 0.00 H new ATOM 0 HB THR A 53 15.601 -16.271 -10.372 1.00 0.00 H new ATOM 0 HG1 THR A 53 15.234 -14.513 -11.879 1.00 0.00 H new ATOM 0 HG21 THR A 53 15.420 -16.716 -12.790 1.00 0.00 H new ATOM 0 HG22 THR A 53 14.746 -18.050 -11.823 1.00 0.00 H new ATOM 0 HG23 THR A 53 13.657 -16.891 -12.621 1.00 0.00 H new ATOM 748 N GLY A 54 13.275 -14.413 -8.711 1.00 0.00 N ATOM 749 CA GLY A 54 13.364 -13.535 -7.559 1.00 0.00 C ATOM 750 C GLY A 54 12.201 -12.566 -7.477 1.00 0.00 C ATOM 751 O GLY A 54 11.838 -11.936 -8.470 1.00 0.00 O ATOM 0 H GLY A 54 12.906 -13.976 -9.555 1.00 0.00 H new ATOM 0 HA2 GLY A 54 13.397 -14.136 -6.650 1.00 0.00 H new ATOM 0 HA3 GLY A 54 14.298 -12.974 -7.605 1.00 0.00 H new ATOM 755 N SER A 55 11.614 -12.447 -6.290 1.00 0.00 N ATOM 756 CA SER A 55 10.481 -11.552 -6.084 1.00 0.00 C ATOM 757 C SER A 55 10.702 -10.223 -6.800 1.00 0.00 C ATOM 758 O SER A 55 11.703 -9.542 -6.576 1.00 0.00 O ATOM 759 CB SER A 55 10.263 -11.309 -4.589 1.00 0.00 C ATOM 760 OG SER A 55 9.965 -12.518 -3.913 1.00 0.00 O ATOM 0 H SER A 55 11.904 -12.959 -5.457 1.00 0.00 H new ATOM 0 HA SER A 55 9.593 -12.026 -6.502 1.00 0.00 H new ATOM 0 HB2 SER A 55 11.156 -10.858 -4.157 1.00 0.00 H new ATOM 0 HB3 SER A 55 9.448 -10.600 -4.448 1.00 0.00 H new ATOM 0 HG SER A 55 9.832 -12.335 -2.959 1.00 0.00 H new ATOM 766 N PHE A 56 9.759 -9.861 -7.664 1.00 0.00 N ATOM 767 CA PHE A 56 9.850 -8.614 -8.415 1.00 0.00 C ATOM 768 C PHE A 56 10.123 -7.437 -7.484 1.00 0.00 C ATOM 769 O PHE A 56 9.924 -7.529 -6.273 1.00 0.00 O ATOM 770 CB PHE A 56 8.557 -8.371 -9.198 1.00 0.00 C ATOM 771 CG PHE A 56 7.532 -7.584 -8.432 1.00 0.00 C ATOM 772 CD1 PHE A 56 6.782 -8.185 -7.434 1.00 0.00 C ATOM 773 CD2 PHE A 56 7.319 -6.244 -8.711 1.00 0.00 C ATOM 774 CE1 PHE A 56 5.838 -7.463 -6.727 1.00 0.00 C ATOM 775 CE2 PHE A 56 6.377 -5.517 -8.007 1.00 0.00 C ATOM 776 CZ PHE A 56 5.635 -6.128 -7.015 1.00 0.00 C ATOM 0 H PHE A 56 8.924 -10.413 -7.861 1.00 0.00 H new ATOM 0 HA PHE A 56 10.681 -8.700 -9.115 1.00 0.00 H new ATOM 0 HB2 PHE A 56 8.794 -7.842 -10.121 1.00 0.00 H new ATOM 0 HB3 PHE A 56 8.128 -9.332 -9.483 1.00 0.00 H new ATOM 0 HD1 PHE A 56 6.936 -9.229 -7.206 1.00 0.00 H new ATOM 0 HD2 PHE A 56 7.895 -5.762 -9.487 1.00 0.00 H new ATOM 0 HE1 PHE A 56 5.260 -7.943 -5.951 1.00 0.00 H new ATOM 0 HE2 PHE A 56 6.221 -4.472 -8.232 1.00 0.00 H new ATOM 0 HZ PHE A 56 4.897 -5.562 -6.465 1.00 0.00 H new ATOM 786 N PHE A 57 10.582 -6.330 -8.059 1.00 0.00 N ATOM 787 CA PHE A 57 10.885 -5.134 -7.282 1.00 0.00 C ATOM 788 C PHE A 57 10.117 -3.929 -7.816 1.00 0.00 C ATOM 789 O PHE A 57 10.165 -3.629 -9.008 1.00 0.00 O ATOM 790 CB PHE A 57 12.388 -4.848 -7.311 1.00 0.00 C ATOM 791 CG PHE A 57 13.211 -5.900 -6.624 1.00 0.00 C ATOM 792 CD1 PHE A 57 13.532 -7.082 -7.273 1.00 0.00 C ATOM 793 CD2 PHE A 57 13.665 -5.708 -5.329 1.00 0.00 C ATOM 794 CE1 PHE A 57 14.288 -8.051 -6.643 1.00 0.00 C ATOM 795 CE2 PHE A 57 14.423 -6.674 -4.694 1.00 0.00 C ATOM 796 CZ PHE A 57 14.736 -7.847 -5.352 1.00 0.00 C ATOM 0 H PHE A 57 10.752 -6.237 -9.060 1.00 0.00 H new ATOM 0 HA PHE A 57 10.576 -5.313 -6.252 1.00 0.00 H new ATOM 0 HB2 PHE A 57 12.714 -4.763 -8.348 1.00 0.00 H new ATOM 0 HB3 PHE A 57 12.576 -3.884 -6.838 1.00 0.00 H new ATOM 0 HD1 PHE A 57 13.187 -7.247 -8.283 1.00 0.00 H new ATOM 0 HD2 PHE A 57 13.424 -4.792 -4.809 1.00 0.00 H new ATOM 0 HE1 PHE A 57 14.529 -8.968 -7.160 1.00 0.00 H new ATOM 0 HE2 PHE A 57 14.770 -6.511 -3.684 1.00 0.00 H new ATOM 0 HZ PHE A 57 15.329 -8.603 -4.859 1.00 0.00 H new ATOM 806 N GLU A 58 9.408 -3.243 -6.924 1.00 0.00 N ATOM 807 CA GLU A 58 8.628 -2.072 -7.306 1.00 0.00 C ATOM 808 C GLU A 58 9.517 -0.835 -7.404 1.00 0.00 C ATOM 809 O GLU A 58 10.097 -0.393 -6.411 1.00 0.00 O ATOM 810 CB GLU A 58 7.505 -1.828 -6.296 1.00 0.00 C ATOM 811 CG GLU A 58 6.663 -0.602 -6.607 1.00 0.00 C ATOM 812 CD GLU A 58 5.886 -0.107 -5.403 1.00 0.00 C ATOM 813 OE1 GLU A 58 4.996 -0.845 -4.928 1.00 0.00 O ATOM 814 OE2 GLU A 58 6.166 1.016 -4.935 1.00 0.00 O ATOM 0 H GLU A 58 9.358 -3.478 -5.933 1.00 0.00 H new ATOM 0 HA GLU A 58 8.190 -2.262 -8.286 1.00 0.00 H new ATOM 0 HB2 GLU A 58 6.858 -2.705 -6.266 1.00 0.00 H new ATOM 0 HB3 GLU A 58 7.939 -1.718 -5.302 1.00 0.00 H new ATOM 0 HG2 GLU A 58 7.310 0.196 -6.970 1.00 0.00 H new ATOM 0 HG3 GLU A 58 5.967 -0.839 -7.412 1.00 0.00 H new ATOM 821 N LEU A 59 9.619 -0.282 -8.607 1.00 0.00 N ATOM 822 CA LEU A 59 10.437 0.904 -8.837 1.00 0.00 C ATOM 823 C LEU A 59 9.713 1.900 -9.737 1.00 0.00 C ATOM 824 O LEU A 59 9.371 1.586 -10.878 1.00 0.00 O ATOM 825 CB LEU A 59 11.776 0.511 -9.465 1.00 0.00 C ATOM 826 CG LEU A 59 12.948 1.454 -9.192 1.00 0.00 C ATOM 827 CD1 LEU A 59 14.249 0.673 -9.090 1.00 0.00 C ATOM 828 CD2 LEU A 59 13.044 2.515 -10.279 1.00 0.00 C ATOM 0 H LEU A 59 9.146 -0.635 -9.439 1.00 0.00 H new ATOM 0 HA LEU A 59 10.620 1.380 -7.874 1.00 0.00 H new ATOM 0 HB2 LEU A 59 12.045 -0.483 -9.107 1.00 0.00 H new ATOM 0 HB3 LEU A 59 11.640 0.435 -10.544 1.00 0.00 H new ATOM 0 HG LEU A 59 12.773 1.954 -8.239 1.00 0.00 H new ATOM 0 HD11 LEU A 59 15.072 1.361 -8.896 1.00 0.00 H new ATOM 0 HD12 LEU A 59 14.178 -0.047 -8.275 1.00 0.00 H new ATOM 0 HD13 LEU A 59 14.431 0.145 -10.026 1.00 0.00 H new ATOM 0 HD21 LEU A 59 13.884 3.177 -10.068 1.00 0.00 H new ATOM 0 HD22 LEU A 59 13.195 2.033 -11.245 1.00 0.00 H new ATOM 0 HD23 LEU A 59 12.122 3.095 -10.303 1.00 0.00 H new ATOM 840 N ASP A 60 9.484 3.101 -9.218 1.00 0.00 N ATOM 841 CA ASP A 60 8.803 4.144 -9.976 1.00 0.00 C ATOM 842 C ASP A 60 7.399 3.700 -10.372 1.00 0.00 C ATOM 843 O ASP A 60 6.942 3.966 -11.483 1.00 0.00 O ATOM 844 CB ASP A 60 9.609 4.505 -11.226 1.00 0.00 C ATOM 845 CG ASP A 60 8.961 5.613 -12.033 1.00 0.00 C ATOM 846 OD1 ASP A 60 8.455 6.576 -11.419 1.00 0.00 O ATOM 847 OD2 ASP A 60 8.960 5.517 -13.278 1.00 0.00 O ATOM 0 H ASP A 60 9.760 3.377 -8.275 1.00 0.00 H new ATOM 0 HA ASP A 60 8.720 5.025 -9.340 1.00 0.00 H new ATOM 0 HB2 ASP A 60 10.612 4.813 -10.931 1.00 0.00 H new ATOM 0 HB3 ASP A 60 9.719 3.620 -11.852 1.00 0.00 H new ATOM 852 N GLY A 61 6.718 3.020 -9.455 1.00 0.00 N ATOM 853 CA GLY A 61 5.373 2.548 -9.727 1.00 0.00 C ATOM 854 C GLY A 61 5.310 1.648 -10.945 1.00 0.00 C ATOM 855 O GLY A 61 4.312 1.637 -11.667 1.00 0.00 O ATOM 0 H GLY A 61 7.074 2.787 -8.528 1.00 0.00 H new ATOM 0 HA2 GLY A 61 4.999 2.006 -8.859 1.00 0.00 H new ATOM 0 HA3 GLY A 61 4.714 3.403 -9.877 1.00 0.00 H new ATOM 859 N ARG A 62 6.378 0.892 -11.177 1.00 0.00 N ATOM 860 CA ARG A 62 6.442 -0.013 -12.318 1.00 0.00 C ATOM 861 C ARG A 62 7.209 -1.283 -11.963 1.00 0.00 C ATOM 862 O ARG A 62 8.241 -1.248 -11.292 1.00 0.00 O ATOM 863 CB ARG A 62 7.105 0.680 -13.509 1.00 0.00 C ATOM 864 CG ARG A 62 6.329 1.881 -14.025 1.00 0.00 C ATOM 865 CD ARG A 62 7.005 2.502 -15.237 1.00 0.00 C ATOM 866 NE ARG A 62 8.176 3.292 -14.866 1.00 0.00 N ATOM 867 CZ ARG A 62 9.033 3.794 -15.748 1.00 0.00 C ATOM 868 NH1 ARG A 62 8.851 3.589 -17.046 1.00 0.00 N ATOM 869 NH2 ARG A 62 10.075 4.503 -15.333 1.00 0.00 N ATOM 0 H ARG A 62 7.212 0.888 -10.589 1.00 0.00 H new ATOM 0 HA ARG A 62 5.423 -0.289 -12.588 1.00 0.00 H new ATOM 0 HB2 ARG A 62 8.106 1.002 -13.220 1.00 0.00 H new ATOM 0 HB3 ARG A 62 7.223 -0.041 -14.318 1.00 0.00 H new ATOM 0 HG2 ARG A 62 5.316 1.575 -14.289 1.00 0.00 H new ATOM 0 HG3 ARG A 62 6.241 2.626 -13.234 1.00 0.00 H new ATOM 0 HD2 ARG A 62 7.304 1.714 -15.929 1.00 0.00 H new ATOM 0 HD3 ARG A 62 6.292 3.136 -15.764 1.00 0.00 H new ATOM 0 HE ARG A 62 8.345 3.468 -13.876 1.00 0.00 H new ATOM 0 HH11 ARG A 62 8.051 3.045 -17.369 1.00 0.00 H new ATOM 0 HH12 ARG A 62 9.511 3.976 -17.721 1.00 0.00 H new ATOM 0 HH21 ARG A 62 10.218 4.663 -14.336 1.00 0.00 H new ATOM 0 HH22 ARG A 62 10.733 4.888 -16.011 1.00 0.00 H new ATOM 883 N PRO A 63 6.694 -2.434 -12.421 1.00 0.00 N ATOM 884 CA PRO A 63 7.315 -3.737 -12.164 1.00 0.00 C ATOM 885 C PRO A 63 8.629 -3.911 -12.917 1.00 0.00 C ATOM 886 O PRO A 63 8.673 -3.808 -14.143 1.00 0.00 O ATOM 887 CB PRO A 63 6.271 -4.734 -12.674 1.00 0.00 C ATOM 888 CG PRO A 63 5.494 -3.979 -13.697 1.00 0.00 C ATOM 889 CD PRO A 63 5.467 -2.551 -13.226 1.00 0.00 C ATOM 0 HA PRO A 63 7.570 -3.866 -11.112 1.00 0.00 H new ATOM 0 HB2 PRO A 63 6.744 -5.615 -13.107 1.00 0.00 H new ATOM 0 HB3 PRO A 63 5.628 -5.082 -11.866 1.00 0.00 H new ATOM 0 HG2 PRO A 63 5.962 -4.057 -14.678 1.00 0.00 H new ATOM 0 HG3 PRO A 63 4.484 -4.378 -13.792 1.00 0.00 H new ATOM 0 HD2 PRO A 63 5.467 -1.852 -14.062 1.00 0.00 H new ATOM 0 HD3 PRO A 63 4.576 -2.340 -12.634 1.00 0.00 H new ATOM 897 N PHE A 64 9.700 -4.177 -12.175 1.00 0.00 N ATOM 898 CA PHE A 64 11.016 -4.365 -12.773 1.00 0.00 C ATOM 899 C PHE A 64 11.697 -5.608 -12.207 1.00 0.00 C ATOM 900 O PHE A 64 11.187 -6.245 -11.286 1.00 0.00 O ATOM 901 CB PHE A 64 11.892 -3.134 -12.528 1.00 0.00 C ATOM 902 CG PHE A 64 11.505 -1.948 -13.364 1.00 0.00 C ATOM 903 CD1 PHE A 64 11.746 -1.937 -14.728 1.00 0.00 C ATOM 904 CD2 PHE A 64 10.901 -0.843 -12.785 1.00 0.00 C ATOM 905 CE1 PHE A 64 11.391 -0.847 -15.501 1.00 0.00 C ATOM 906 CE2 PHE A 64 10.544 0.249 -13.553 1.00 0.00 C ATOM 907 CZ PHE A 64 10.790 0.248 -14.912 1.00 0.00 C ATOM 0 H PHE A 64 9.681 -4.267 -11.159 1.00 0.00 H new ATOM 0 HA PHE A 64 10.884 -4.500 -13.846 1.00 0.00 H new ATOM 0 HB2 PHE A 64 11.834 -2.860 -11.474 1.00 0.00 H new ATOM 0 HB3 PHE A 64 12.931 -3.390 -12.734 1.00 0.00 H new ATOM 0 HD1 PHE A 64 12.217 -2.790 -15.193 1.00 0.00 H new ATOM 0 HD2 PHE A 64 10.707 -0.835 -11.723 1.00 0.00 H new ATOM 0 HE1 PHE A 64 11.583 -0.852 -16.564 1.00 0.00 H new ATOM 0 HE2 PHE A 64 10.073 1.103 -13.090 1.00 0.00 H new ATOM 0 HZ PHE A 64 10.513 1.102 -15.513 1.00 0.00 H new ATOM 917 N CYS A 65 12.854 -5.948 -12.767 1.00 0.00 N ATOM 918 CA CYS A 65 13.606 -7.115 -12.321 1.00 0.00 C ATOM 919 C CYS A 65 14.881 -6.695 -11.595 1.00 0.00 C ATOM 920 O CYS A 65 15.576 -5.775 -12.024 1.00 0.00 O ATOM 921 CB CYS A 65 13.955 -8.008 -13.513 1.00 0.00 C ATOM 922 SG CYS A 65 15.275 -7.344 -14.579 1.00 0.00 S ATOM 0 H CYS A 65 13.291 -5.432 -13.530 1.00 0.00 H new ATOM 0 HA CYS A 65 12.981 -7.676 -11.626 1.00 0.00 H new ATOM 0 HB2 CYS A 65 14.260 -8.987 -13.143 1.00 0.00 H new ATOM 0 HB3 CYS A 65 13.059 -8.159 -14.115 1.00 0.00 H new ATOM 927 N GLU A 66 15.180 -7.377 -10.494 1.00 0.00 N ATOM 928 CA GLU A 66 16.370 -7.074 -9.708 1.00 0.00 C ATOM 929 C GLU A 66 17.470 -6.489 -10.591 1.00 0.00 C ATOM 930 O GLU A 66 17.978 -5.399 -10.328 1.00 0.00 O ATOM 931 CB GLU A 66 16.880 -8.335 -9.007 1.00 0.00 C ATOM 932 CG GLU A 66 18.000 -8.069 -8.015 1.00 0.00 C ATOM 933 CD GLU A 66 18.786 -9.320 -7.674 1.00 0.00 C ATOM 934 OE1 GLU A 66 18.234 -10.197 -6.977 1.00 0.00 O ATOM 935 OE2 GLU A 66 19.954 -9.422 -8.105 1.00 0.00 O ATOM 0 H GLU A 66 14.615 -8.142 -10.126 1.00 0.00 H new ATOM 0 HA GLU A 66 16.099 -6.333 -8.956 1.00 0.00 H new ATOM 0 HB2 GLU A 66 16.050 -8.812 -8.486 1.00 0.00 H new ATOM 0 HB3 GLU A 66 17.232 -9.041 -9.759 1.00 0.00 H new ATOM 0 HG2 GLU A 66 18.676 -7.321 -8.428 1.00 0.00 H new ATOM 0 HG3 GLU A 66 17.579 -7.648 -7.102 1.00 0.00 H new ATOM 942 N LEU A 67 17.833 -7.223 -11.637 1.00 0.00 N ATOM 943 CA LEU A 67 18.873 -6.779 -12.559 1.00 0.00 C ATOM 944 C LEU A 67 18.718 -5.296 -12.880 1.00 0.00 C ATOM 945 O LEU A 67 19.534 -4.471 -12.465 1.00 0.00 O ATOM 946 CB LEU A 67 18.823 -7.600 -13.848 1.00 0.00 C ATOM 947 CG LEU A 67 19.575 -7.016 -15.045 1.00 0.00 C ATOM 948 CD1 LEU A 67 21.031 -7.455 -15.026 1.00 0.00 C ATOM 949 CD2 LEU A 67 18.908 -7.431 -16.348 1.00 0.00 C ATOM 0 H LEU A 67 17.423 -8.128 -11.868 1.00 0.00 H new ATOM 0 HA LEU A 67 19.840 -6.929 -12.078 1.00 0.00 H new ATOM 0 HB2 LEU A 67 19.226 -8.591 -13.640 1.00 0.00 H new ATOM 0 HB3 LEU A 67 17.779 -7.733 -14.130 1.00 0.00 H new ATOM 0 HG LEU A 67 19.544 -5.929 -14.974 1.00 0.00 H new ATOM 0 HD11 LEU A 67 21.550 -7.030 -15.885 1.00 0.00 H new ATOM 0 HD12 LEU A 67 21.504 -7.107 -14.108 1.00 0.00 H new ATOM 0 HD13 LEU A 67 21.084 -8.543 -15.072 1.00 0.00 H new ATOM 0 HD21 LEU A 67 19.456 -7.006 -17.189 1.00 0.00 H new ATOM 0 HD22 LEU A 67 18.908 -8.518 -16.427 1.00 0.00 H new ATOM 0 HD23 LEU A 67 17.881 -7.066 -16.363 1.00 0.00 H new ATOM 961 N HIS A 68 17.666 -4.963 -13.621 1.00 0.00 N ATOM 962 CA HIS A 68 17.402 -3.578 -13.996 1.00 0.00 C ATOM 963 C HIS A 68 17.172 -2.714 -12.759 1.00 0.00 C ATOM 964 O HIS A 68 17.777 -1.652 -12.610 1.00 0.00 O ATOM 965 CB HIS A 68 16.186 -3.500 -14.920 1.00 0.00 C ATOM 966 CG HIS A 68 16.531 -3.602 -16.373 1.00 0.00 C ATOM 967 ND1 HIS A 68 16.228 -4.704 -17.144 1.00 0.00 N ATOM 968 CD2 HIS A 68 17.156 -2.729 -17.198 1.00 0.00 C ATOM 969 CE1 HIS A 68 16.653 -4.507 -18.379 1.00 0.00 C ATOM 970 NE2 HIS A 68 17.219 -3.315 -18.438 1.00 0.00 N ATOM 0 H HIS A 68 16.983 -5.633 -13.974 1.00 0.00 H new ATOM 0 HA HIS A 68 18.276 -3.198 -14.525 1.00 0.00 H new ATOM 0 HB2 HIS A 68 15.492 -4.301 -14.663 1.00 0.00 H new ATOM 0 HB3 HIS A 68 15.666 -2.559 -14.744 1.00 0.00 H new ATOM 0 HD2 HIS A 68 17.534 -1.753 -16.930 1.00 0.00 H new ATOM 0 HE1 HIS A 68 16.555 -5.202 -19.200 1.00 0.00 H new ATOM 0 HE2 HIS A 68 17.636 -2.897 -19.270 1.00 0.00 H new ATOM 978 N TYR A 69 16.295 -3.177 -11.876 1.00 0.00 N ATOM 979 CA TYR A 69 15.983 -2.445 -10.654 1.00 0.00 C ATOM 980 C TYR A 69 17.204 -1.685 -10.147 1.00 0.00 C ATOM 981 O TYR A 69 17.156 -0.471 -9.946 1.00 0.00 O ATOM 982 CB TYR A 69 15.481 -3.405 -9.573 1.00 0.00 C ATOM 983 CG TYR A 69 15.191 -2.731 -8.252 1.00 0.00 C ATOM 984 CD1 TYR A 69 13.999 -2.046 -8.046 1.00 0.00 C ATOM 985 CD2 TYR A 69 16.107 -2.778 -7.209 1.00 0.00 C ATOM 986 CE1 TYR A 69 13.730 -1.427 -6.841 1.00 0.00 C ATOM 987 CE2 TYR A 69 15.845 -2.164 -5.999 1.00 0.00 C ATOM 988 CZ TYR A 69 14.655 -1.490 -5.820 1.00 0.00 C ATOM 989 OH TYR A 69 14.391 -0.876 -4.617 1.00 0.00 O ATOM 0 H TYR A 69 15.788 -4.055 -11.983 1.00 0.00 H new ATOM 0 HA TYR A 69 15.198 -1.724 -10.883 1.00 0.00 H new ATOM 0 HB2 TYR A 69 14.575 -3.896 -9.927 1.00 0.00 H new ATOM 0 HB3 TYR A 69 16.226 -4.185 -9.417 1.00 0.00 H new ATOM 0 HD1 TYR A 69 13.271 -1.997 -8.842 1.00 0.00 H new ATOM 0 HD2 TYR A 69 17.040 -3.304 -7.346 1.00 0.00 H new ATOM 0 HE1 TYR A 69 12.800 -0.896 -6.699 1.00 0.00 H new ATOM 0 HE2 TYR A 69 16.568 -2.212 -5.198 1.00 0.00 H new ATOM 0 HH TYR A 69 15.144 -1.016 -4.006 1.00 0.00 H new ATOM 999 N HIS A 70 18.301 -2.408 -9.942 1.00 0.00 N ATOM 1000 CA HIS A 70 19.537 -1.803 -9.460 1.00 0.00 C ATOM 1001 C HIS A 70 20.048 -0.755 -10.443 1.00 0.00 C ATOM 1002 O HIS A 70 20.215 0.413 -10.091 1.00 0.00 O ATOM 1003 CB HIS A 70 20.603 -2.877 -9.240 1.00 0.00 C ATOM 1004 CG HIS A 70 20.345 -3.742 -8.046 1.00 0.00 C ATOM 1005 ND1 HIS A 70 20.467 -3.291 -6.748 1.00 0.00 N ATOM 1006 CD2 HIS A 70 19.967 -5.039 -7.957 1.00 0.00 C ATOM 1007 CE1 HIS A 70 20.177 -4.273 -5.914 1.00 0.00 C ATOM 1008 NE2 HIS A 70 19.869 -5.344 -6.622 1.00 0.00 N ATOM 0 H HIS A 70 18.359 -3.414 -10.102 1.00 0.00 H new ATOM 0 HA HIS A 70 19.326 -1.312 -8.510 1.00 0.00 H new ATOM 0 HB2 HIS A 70 20.662 -3.506 -10.128 1.00 0.00 H new ATOM 0 HB3 HIS A 70 21.574 -2.395 -9.126 1.00 0.00 H new ATOM 0 HD2 HIS A 70 19.778 -5.709 -8.783 1.00 0.00 H new ATOM 0 HE1 HIS A 70 20.190 -4.211 -4.836 1.00 0.00 H new ATOM 0 HE2 HIS A 70 19.602 -6.251 -6.239 1.00 0.00 H new ATOM 1016 N HIS A 71 20.297 -1.180 -11.678 1.00 0.00 N ATOM 1017 CA HIS A 71 20.790 -0.278 -12.713 1.00 0.00 C ATOM 1018 C HIS A 71 20.178 1.111 -12.559 1.00 0.00 C ATOM 1019 O HIS A 71 20.890 2.115 -12.547 1.00 0.00 O ATOM 1020 CB HIS A 71 20.473 -0.837 -14.100 1.00 0.00 C ATOM 1021 CG HIS A 71 21.538 -1.741 -14.639 1.00 0.00 C ATOM 1022 ND1 HIS A 71 22.031 -1.641 -15.923 1.00 0.00 N ATOM 1023 CD2 HIS A 71 22.207 -2.766 -14.060 1.00 0.00 C ATOM 1024 CE1 HIS A 71 22.956 -2.566 -16.111 1.00 0.00 C ATOM 1025 NE2 HIS A 71 23.082 -3.262 -14.995 1.00 0.00 N ATOM 0 H HIS A 71 20.165 -2.143 -11.986 1.00 0.00 H new ATOM 0 HA HIS A 71 21.871 -0.194 -12.602 1.00 0.00 H new ATOM 0 HB2 HIS A 71 19.532 -1.384 -14.056 1.00 0.00 H new ATOM 0 HB3 HIS A 71 20.327 -0.008 -14.792 1.00 0.00 H new ATOM 0 HD2 HIS A 71 22.077 -3.127 -13.050 1.00 0.00 H new ATOM 0 HE1 HIS A 71 23.514 -2.726 -17.022 1.00 0.00 H new ATOM 0 HE2 HIS A 71 23.725 -4.041 -14.851 1.00 0.00 H new ATOM 1033 N ARG A 72 18.855 1.160 -12.443 1.00 0.00 N ATOM 1034 CA ARG A 72 18.148 2.426 -12.292 1.00 0.00 C ATOM 1035 C ARG A 72 18.525 3.106 -10.979 1.00 0.00 C ATOM 1036 O ARG A 72 18.824 4.300 -10.951 1.00 0.00 O ATOM 1037 CB ARG A 72 16.636 2.199 -12.345 1.00 0.00 C ATOM 1038 CG ARG A 72 16.061 2.254 -13.751 1.00 0.00 C ATOM 1039 CD ARG A 72 14.668 1.646 -13.807 1.00 0.00 C ATOM 1040 NE ARG A 72 13.865 2.217 -14.885 1.00 0.00 N ATOM 1041 CZ ARG A 72 14.123 2.027 -16.174 1.00 0.00 C ATOM 1042 NH1 ARG A 72 15.157 1.284 -16.544 1.00 0.00 N ATOM 1043 NH2 ARG A 72 13.346 2.581 -17.096 1.00 0.00 N ATOM 0 H ARG A 72 18.251 0.338 -12.451 1.00 0.00 H new ATOM 0 HA ARG A 72 18.440 3.077 -13.116 1.00 0.00 H new ATOM 0 HB2 ARG A 72 16.407 1.228 -11.906 1.00 0.00 H new ATOM 0 HB3 ARG A 72 16.142 2.951 -11.730 1.00 0.00 H new ATOM 0 HG2 ARG A 72 16.021 3.290 -14.089 1.00 0.00 H new ATOM 0 HG3 ARG A 72 16.720 1.720 -14.436 1.00 0.00 H new ATOM 0 HD2 ARG A 72 14.748 0.568 -13.947 1.00 0.00 H new ATOM 0 HD3 ARG A 72 14.163 1.807 -12.854 1.00 0.00 H new ATOM 0 HE ARG A 72 13.062 2.793 -14.634 1.00 0.00 H new ATOM 0 HH11 ARG A 72 15.757 0.857 -15.838 1.00 0.00 H new ATOM 0 HH12 ARG A 72 15.353 1.140 -17.535 1.00 0.00 H new ATOM 0 HH21 ARG A 72 12.550 3.153 -16.815 1.00 0.00 H new ATOM 0 HH22 ARG A 72 13.545 2.435 -18.086 1.00 0.00 H new ATOM 1057 N ARG A 73 18.508 2.339 -9.895 1.00 0.00 N ATOM 1058 CA ARG A 73 18.846 2.868 -8.579 1.00 0.00 C ATOM 1059 C ARG A 73 20.226 3.519 -8.593 1.00 0.00 C ATOM 1060 O ARG A 73 20.409 4.623 -8.081 1.00 0.00 O ATOM 1061 CB ARG A 73 18.807 1.753 -7.532 1.00 0.00 C ATOM 1062 CG ARG A 73 17.441 1.566 -6.892 1.00 0.00 C ATOM 1063 CD ARG A 73 17.536 0.775 -5.597 1.00 0.00 C ATOM 1064 NE ARG A 73 17.785 1.638 -4.446 1.00 0.00 N ATOM 1065 CZ ARG A 73 16.880 2.469 -3.941 1.00 0.00 C ATOM 1066 NH1 ARG A 73 15.672 2.547 -4.482 1.00 0.00 N ATOM 1067 NH2 ARG A 73 17.181 3.222 -2.891 1.00 0.00 N ATOM 0 H ARG A 73 18.264 1.349 -9.901 1.00 0.00 H new ATOM 0 HA ARG A 73 18.108 3.627 -8.319 1.00 0.00 H new ATOM 0 HB2 ARG A 73 19.111 0.816 -7.999 1.00 0.00 H new ATOM 0 HB3 ARG A 73 19.537 1.972 -6.753 1.00 0.00 H new ATOM 0 HG2 ARG A 73 16.995 2.540 -6.693 1.00 0.00 H new ATOM 0 HG3 ARG A 73 16.780 1.049 -7.588 1.00 0.00 H new ATOM 0 HD2 ARG A 73 16.610 0.222 -5.442 1.00 0.00 H new ATOM 0 HD3 ARG A 73 18.337 0.040 -5.679 1.00 0.00 H new ATOM 0 HE ARG A 73 18.704 1.601 -4.006 1.00 0.00 H new ATOM 0 HH11 ARG A 73 15.436 1.968 -5.288 1.00 0.00 H new ATOM 0 HH12 ARG A 73 14.979 3.186 -4.092 1.00 0.00 H new ATOM 0 HH21 ARG A 73 18.108 3.163 -2.470 1.00 0.00 H new ATOM 0 HH22 ARG A 73 16.485 3.860 -2.504 1.00 0.00 H new ATOM 1081 N GLY A 74 21.196 2.826 -9.183 1.00 0.00 N ATOM 1082 CA GLY A 74 22.547 3.352 -9.252 1.00 0.00 C ATOM 1083 C GLY A 74 22.634 4.620 -10.079 1.00 0.00 C ATOM 1084 O GLY A 74 23.235 5.606 -9.653 1.00 0.00 O ATOM 0 H GLY A 74 21.070 1.910 -9.614 1.00 0.00 H new ATOM 0 HA2 GLY A 74 22.907 3.554 -8.243 1.00 0.00 H new ATOM 0 HA3 GLY A 74 23.206 2.597 -9.680 1.00 0.00 H new ATOM 1088 N SER A 75 22.033 4.594 -11.264 1.00 0.00 N ATOM 1089 CA SER A 75 22.050 5.749 -12.155 1.00 0.00 C ATOM 1090 C SER A 75 20.688 6.435 -12.181 1.00 0.00 C ATOM 1091 O SER A 75 19.799 6.048 -12.939 1.00 0.00 O ATOM 1092 CB SER A 75 22.446 5.322 -13.570 1.00 0.00 C ATOM 1093 OG SER A 75 23.765 4.805 -13.596 1.00 0.00 O ATOM 0 H SER A 75 21.528 3.786 -11.630 1.00 0.00 H new ATOM 0 HA SER A 75 22.787 6.458 -11.777 1.00 0.00 H new ATOM 0 HB2 SER A 75 21.749 4.567 -13.934 1.00 0.00 H new ATOM 0 HB3 SER A 75 22.373 6.175 -14.245 1.00 0.00 H new ATOM 0 HG SER A 75 23.994 4.538 -14.511 1.00 0.00 H new ATOM 1099 N GLY A 76 20.531 7.458 -11.346 1.00 0.00 N ATOM 1100 CA GLY A 76 19.275 8.182 -11.287 1.00 0.00 C ATOM 1101 C GLY A 76 19.425 9.552 -10.656 1.00 0.00 C ATOM 1102 O GLY A 76 20.514 9.956 -10.249 1.00 0.00 O ATOM 0 H GLY A 76 21.252 7.798 -10.709 1.00 0.00 H new ATOM 0 HA2 GLY A 76 18.875 8.291 -12.295 1.00 0.00 H new ATOM 0 HA3 GLY A 76 18.550 7.600 -10.717 1.00 0.00 H new ATOM 1106 N PRO A 77 18.310 10.293 -10.568 1.00 0.00 N ATOM 1107 CA PRO A 77 18.296 11.637 -9.984 1.00 0.00 C ATOM 1108 C PRO A 77 18.517 11.615 -8.475 1.00 0.00 C ATOM 1109 O PRO A 77 18.532 12.661 -7.826 1.00 0.00 O ATOM 1110 CB PRO A 77 16.892 12.152 -10.311 1.00 0.00 C ATOM 1111 CG PRO A 77 16.063 10.923 -10.460 1.00 0.00 C ATOM 1112 CD PRO A 77 16.976 9.875 -11.033 1.00 0.00 C ATOM 0 HA PRO A 77 19.097 12.262 -10.380 1.00 0.00 H new ATOM 0 HB2 PRO A 77 16.510 12.793 -9.516 1.00 0.00 H new ATOM 0 HB3 PRO A 77 16.891 12.744 -11.226 1.00 0.00 H new ATOM 0 HG2 PRO A 77 15.659 10.606 -9.499 1.00 0.00 H new ATOM 0 HG3 PRO A 77 15.213 11.103 -11.119 1.00 0.00 H new ATOM 0 HD2 PRO A 77 16.719 8.878 -10.674 1.00 0.00 H new ATOM 0 HD3 PRO A 77 16.921 9.845 -12.121 1.00 0.00 H new ATOM 1120 N SER A 78 18.690 10.418 -7.924 1.00 0.00 N ATOM 1121 CA SER A 78 18.907 10.261 -6.491 1.00 0.00 C ATOM 1122 C SER A 78 20.390 10.377 -6.150 1.00 0.00 C ATOM 1123 O SER A 78 21.251 10.227 -7.017 1.00 0.00 O ATOM 1124 CB SER A 78 18.368 8.910 -6.017 1.00 0.00 C ATOM 1125 OG SER A 78 16.953 8.875 -6.079 1.00 0.00 O ATOM 0 H SER A 78 18.684 9.543 -8.448 1.00 0.00 H new ATOM 0 HA SER A 78 18.370 11.059 -5.978 1.00 0.00 H new ATOM 0 HB2 SER A 78 18.782 8.113 -6.635 1.00 0.00 H new ATOM 0 HB3 SER A 78 18.695 8.723 -4.994 1.00 0.00 H new ATOM 0 HG SER A 78 16.634 8.001 -5.773 1.00 0.00 H new ATOM 1131 N SER A 79 20.679 10.647 -4.881 1.00 0.00 N ATOM 1132 CA SER A 79 22.057 10.788 -4.425 1.00 0.00 C ATOM 1133 C SER A 79 22.882 9.561 -4.802 1.00 0.00 C ATOM 1134 O SER A 79 22.338 8.527 -5.187 1.00 0.00 O ATOM 1135 CB SER A 79 22.096 10.998 -2.910 1.00 0.00 C ATOM 1136 OG SER A 79 21.516 9.899 -2.228 1.00 0.00 O ATOM 0 H SER A 79 19.978 10.772 -4.151 1.00 0.00 H new ATOM 0 HA SER A 79 22.489 11.660 -4.916 1.00 0.00 H new ATOM 0 HB2 SER A 79 23.128 11.129 -2.584 1.00 0.00 H new ATOM 0 HB3 SER A 79 21.562 11.913 -2.653 1.00 0.00 H new ATOM 0 HG SER A 79 21.555 10.056 -1.262 1.00 0.00 H new ATOM 1142 N GLY A 80 24.201 9.684 -4.686 1.00 0.00 N ATOM 1143 CA GLY A 80 25.081 8.579 -5.018 1.00 0.00 C ATOM 1144 C GLY A 80 26.039 8.918 -6.143 1.00 0.00 C ATOM 1145 O GLY A 80 25.687 9.718 -7.009 1.00 0.00 O ATOM 0 H GLY A 80 24.675 10.529 -4.368 1.00 0.00 H new ATOM 0 HA2 GLY A 80 25.651 8.294 -4.133 1.00 0.00 H new ATOM 0 HA3 GLY A 80 24.482 7.714 -5.303 1.00 0.00 H new TER 1149 GLY A 80 HETATM 1150 ZN ZN A 201 -2.948 -8.583 -18.071 1.00 0.00 ZN HETATM 1151 ZN ZN A 401 14.551 -6.147 -16.435 1.00 0.00 ZN