USER MOD reduce.3.24.130724 H: found=0, std=0, add=606, rem=0, adj=15 USER MOD reduce.3.24.130724 removed 605 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 Set 1.1: A 64 SER OG : rot 180:sc= 0 USER MOD Set 1.2: A 68 GLN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 1 MET CE :methyl 153:sc= -0.0948 (180deg=-1.76) USER MOD Single : A 1 MET N :NH3+ 135:sc= 0.0431 (180deg=0) USER MOD Single : A 6 THR OG1 : rot -61:sc= -0.0103 USER MOD Single : A 9 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 10 THR OG1 : rot 180:sc= 0.00531 USER MOD Single : A 11 SER OG : rot 180:sc= 0 USER MOD Single : A 26 SER OG : rot 180:sc= 0 USER MOD Single : A 30 GLN : amide:sc=-0.00731 K(o=-0.0073,f=-1.2) USER MOD Single : A 31 TYR OH : rot 180:sc= 0 USER MOD Single : A 36 ASN : amide:sc= -0.0149 K(o=-0.015,f=-1.6!) USER MOD Single : A 39 HIS : no HD1:sc= 0 X(o=0,f=-0.022) USER MOD Single : A 41 SER OG : rot 180:sc= 0 USER MOD Single : A 44 TYR OH : rot 180:sc= -1 USER MOD Single : A 48 ASN : amide:sc= -1.25 K(o=-1.2,f=-9.4!) USER MOD Single : A 49 ASN : amide:sc= -0.0923 X(o=-0.092,f=-0.42) USER MOD Single : A 51 SER OG : rot 180:sc= 0 USER MOD Single : A 56 THR OG1 : rot -95:sc= 0.183 USER MOD Single : A 57 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 60 LYS NZ :NH3+ 172:sc= -0.057 (180deg=-0.13) USER MOD Single : A 61 GLN : amide:sc= -0.0231 K(o=-0.023,f=-1.8!) USER MOD Single : A 70 THR OG1 : rot 81:sc= 0.321 USER MOD Single : A 73 SER OG : rot -81:sc= 0.0967 USER MOD ----------------------------------------------------------------- ATOM 1 N MET A 1 -13.980 3.918 -0.707 1.00 0.00 N ATOM 2 CA MET A 1 -13.204 2.647 -0.667 1.00 0.00 C ATOM 3 C MET A 1 -12.129 2.763 0.408 1.00 0.00 C ATOM 4 O MET A 1 -11.521 3.822 0.564 1.00 0.00 O ATOM 5 CB MET A 1 -12.557 2.413 -2.037 1.00 0.00 C ATOM 6 CG MET A 1 -11.855 1.054 -2.056 1.00 0.00 C ATOM 7 SD MET A 1 -11.190 0.739 -3.712 1.00 0.00 S ATOM 8 CE MET A 1 -9.874 1.983 -3.694 1.00 0.00 C ATOM 0 H1 MET A 1 -14.113 4.213 -1.695 1.00 0.00 H new ATOM 0 H2 MET A 1 -14.908 3.772 -0.262 1.00 0.00 H new ATOM 0 H3 MET A 1 -13.461 4.658 -0.192 1.00 0.00 H new ATOM 0 HA MET A 1 -13.859 1.808 -0.434 1.00 0.00 H new ATOM 0 HB2 MET A 1 -13.316 2.451 -2.819 1.00 0.00 H new ATOM 0 HB3 MET A 1 -11.840 3.206 -2.250 1.00 0.00 H new ATOM 0 HG2 MET A 1 -11.051 1.038 -1.321 1.00 0.00 H new ATOM 0 HG3 MET A 1 -12.556 0.267 -1.778 1.00 0.00 H new ATOM 0 HE1 MET A 1 -9.068 1.670 -4.358 1.00 0.00 H new ATOM 0 HE2 MET A 1 -10.273 2.939 -4.033 1.00 0.00 H new ATOM 0 HE3 MET A 1 -9.488 2.089 -2.680 1.00 0.00 H new ATOM 20 N ARG A 2 -11.886 1.672 1.143 1.00 0.00 N ATOM 21 CA ARG A 2 -10.861 1.675 2.198 1.00 0.00 C ATOM 22 C ARG A 2 -9.843 0.565 1.957 1.00 0.00 C ATOM 23 O ARG A 2 -10.204 -0.578 1.679 1.00 0.00 O ATOM 24 CB ARG A 2 -11.506 1.481 3.573 1.00 0.00 C ATOM 25 CG ARG A 2 -12.302 2.730 3.952 1.00 0.00 C ATOM 26 CD ARG A 2 -12.942 2.528 5.327 1.00 0.00 C ATOM 27 NE ARG A 2 -13.706 3.711 5.707 1.00 0.00 N ATOM 28 CZ ARG A 2 -14.505 3.702 6.769 1.00 0.00 C ATOM 29 NH1 ARG A 2 -14.050 3.303 7.925 1.00 0.00 N ATOM 30 NH2 ARG A 2 -15.746 4.089 6.653 1.00 0.00 N ATOM 0 H ARG A 2 -12.377 0.785 1.031 1.00 0.00 H new ATOM 0 HA ARG A 2 -10.354 2.639 2.172 1.00 0.00 H new ATOM 0 HB2 ARG A 2 -12.162 0.611 3.558 1.00 0.00 H new ATOM 0 HB3 ARG A 2 -10.738 1.287 4.321 1.00 0.00 H new ATOM 0 HG2 ARG A 2 -11.647 3.601 3.968 1.00 0.00 H new ATOM 0 HG3 ARG A 2 -13.072 2.924 3.205 1.00 0.00 H new ATOM 0 HD2 ARG A 2 -13.595 1.656 5.307 1.00 0.00 H new ATOM 0 HD3 ARG A 2 -12.169 2.331 6.070 1.00 0.00 H new ATOM 0 HE ARG A 2 -13.626 4.560 5.148 1.00 0.00 H new ATOM 0 HH11 ARG A 2 -13.081 2.998 8.014 1.00 0.00 H new ATOM 0 HH12 ARG A 2 -14.664 3.296 8.740 1.00 0.00 H new ATOM 0 HH21 ARG A 2 -16.101 4.398 5.748 1.00 0.00 H new ATOM 0 HH22 ARG A 2 -16.360 4.083 7.467 1.00 0.00 H new ATOM 44 N ILE A 3 -8.570 0.922 2.056 1.00 0.00 N ATOM 45 CA ILE A 3 -7.478 -0.027 1.840 1.00 0.00 C ATOM 46 C ILE A 3 -6.636 -0.153 3.099 1.00 0.00 C ATOM 47 O ILE A 3 -6.140 0.849 3.618 1.00 0.00 O ATOM 48 CB ILE A 3 -6.596 0.493 0.711 1.00 0.00 C ATOM 49 CG1 ILE A 3 -7.428 0.570 -0.567 1.00 0.00 C ATOM 50 CG2 ILE A 3 -5.414 -0.456 0.502 1.00 0.00 C ATOM 51 CD1 ILE A 3 -6.660 1.345 -1.633 1.00 0.00 C ATOM 0 H ILE A 3 -8.263 1.867 2.286 1.00 0.00 H new ATOM 0 HA ILE A 3 -7.893 -1.002 1.587 1.00 0.00 H new ATOM 0 HB ILE A 3 -6.215 1.482 0.964 1.00 0.00 H new ATOM 0 HG12 ILE A 3 -7.655 -0.434 -0.926 1.00 0.00 H new ATOM 0 HG13 ILE A 3 -8.381 1.059 -0.364 1.00 0.00 H new ATOM 0 HG21 ILE A 3 -4.785 -0.082 -0.306 1.00 0.00 H new ATOM 0 HG22 ILE A 3 -4.829 -0.516 1.420 1.00 0.00 H new ATOM 0 HG23 ILE A 3 -5.785 -1.448 0.243 1.00 0.00 H new ATOM 0 HD11 ILE A 3 -7.256 1.398 -2.544 1.00 0.00 H new ATOM 0 HD12 ILE A 3 -6.456 2.353 -1.273 1.00 0.00 H new ATOM 0 HD13 ILE A 3 -5.719 0.838 -1.844 1.00 0.00 H new ATOM 63 N GLU A 4 -6.478 -1.377 3.595 1.00 0.00 N ATOM 64 CA GLU A 4 -5.688 -1.607 4.811 1.00 0.00 C ATOM 65 C GLU A 4 -4.550 -2.594 4.545 1.00 0.00 C ATOM 66 O GLU A 4 -4.766 -3.676 4.001 1.00 0.00 O ATOM 67 CB GLU A 4 -6.594 -2.158 5.915 1.00 0.00 C ATOM 68 CG GLU A 4 -7.757 -1.195 6.168 1.00 0.00 C ATOM 69 CD GLU A 4 -7.258 0.070 6.854 1.00 0.00 C ATOM 70 OE1 GLU A 4 -6.648 -0.054 7.903 1.00 0.00 O ATOM 71 OE2 GLU A 4 -7.501 1.143 6.327 1.00 0.00 O ATOM 0 H GLU A 4 -6.880 -2.219 3.183 1.00 0.00 H new ATOM 0 HA GLU A 4 -5.256 -0.657 5.125 1.00 0.00 H new ATOM 0 HB2 GLU A 4 -6.978 -3.137 5.627 1.00 0.00 H new ATOM 0 HB3 GLU A 4 -6.021 -2.297 6.831 1.00 0.00 H new ATOM 0 HG2 GLU A 4 -8.238 -0.939 5.224 1.00 0.00 H new ATOM 0 HG3 GLU A 4 -8.511 -1.680 6.788 1.00 0.00 H new ATOM 78 N VAL A 5 -3.332 -2.195 4.924 1.00 0.00 N ATOM 79 CA VAL A 5 -2.145 -3.038 4.715 1.00 0.00 C ATOM 80 C VAL A 5 -1.465 -3.375 6.042 1.00 0.00 C ATOM 81 O VAL A 5 -1.247 -2.503 6.874 1.00 0.00 O ATOM 82 CB VAL A 5 -1.150 -2.315 3.806 1.00 0.00 C ATOM 83 CG1 VAL A 5 0.077 -3.202 3.580 1.00 0.00 C ATOM 84 CG2 VAL A 5 -1.809 -2.003 2.460 1.00 0.00 C ATOM 0 H VAL A 5 -3.140 -1.300 5.374 1.00 0.00 H new ATOM 0 HA VAL A 5 -2.470 -3.967 4.247 1.00 0.00 H new ATOM 0 HB VAL A 5 -0.843 -1.383 4.281 1.00 0.00 H new ATOM 0 HG11 VAL A 5 0.785 -2.685 2.932 1.00 0.00 H new ATOM 0 HG12 VAL A 5 0.552 -3.417 4.537 1.00 0.00 H new ATOM 0 HG13 VAL A 5 -0.231 -4.136 3.109 1.00 0.00 H new ATOM 0 HG21 VAL A 5 -1.096 -1.488 1.816 1.00 0.00 H new ATOM 0 HG22 VAL A 5 -2.122 -2.932 1.984 1.00 0.00 H new ATOM 0 HG23 VAL A 5 -2.679 -1.366 2.620 1.00 0.00 H new ATOM 94 N THR A 6 -1.127 -4.654 6.234 1.00 0.00 N ATOM 95 CA THR A 6 -0.457 -5.101 7.465 1.00 0.00 C ATOM 96 C THR A 6 0.867 -5.760 7.132 1.00 0.00 C ATOM 97 O THR A 6 0.971 -6.548 6.192 1.00 0.00 O ATOM 98 CB THR A 6 -1.351 -6.072 8.233 1.00 0.00 C ATOM 99 OG1 THR A 6 -1.789 -7.095 7.354 1.00 0.00 O ATOM 100 CG2 THR A 6 -2.564 -5.320 8.795 1.00 0.00 C ATOM 0 H THR A 6 -1.304 -5.397 5.558 1.00 0.00 H new ATOM 0 HA THR A 6 -0.267 -4.231 8.093 1.00 0.00 H new ATOM 0 HB THR A 6 -0.791 -6.513 9.057 1.00 0.00 H new ATOM 0 HG1 THR A 6 -2.307 -6.698 6.623 1.00 0.00 H new ATOM 0 HG21 THR A 6 -3.201 -6.015 9.343 1.00 0.00 H new ATOM 0 HG22 THR A 6 -2.224 -4.532 9.467 1.00 0.00 H new ATOM 0 HG23 THR A 6 -3.130 -4.878 7.975 1.00 0.00 H new ATOM 108 N ILE A 7 1.879 -5.429 7.925 1.00 0.00 N ATOM 109 CA ILE A 7 3.219 -5.973 7.757 1.00 0.00 C ATOM 110 C ILE A 7 3.605 -6.797 8.982 1.00 0.00 C ATOM 111 O ILE A 7 3.441 -6.352 10.116 1.00 0.00 O ATOM 112 CB ILE A 7 4.194 -4.807 7.577 1.00 0.00 C ATOM 113 CG1 ILE A 7 4.052 -4.248 6.158 1.00 0.00 C ATOM 114 CG2 ILE A 7 5.639 -5.276 7.804 1.00 0.00 C ATOM 115 CD1 ILE A 7 4.807 -2.922 6.049 1.00 0.00 C ATOM 0 H ILE A 7 1.793 -4.775 8.703 1.00 0.00 H new ATOM 0 HA ILE A 7 3.252 -6.623 6.883 1.00 0.00 H new ATOM 0 HB ILE A 7 3.961 -4.032 8.307 1.00 0.00 H new ATOM 0 HG12 ILE A 7 4.445 -4.962 5.434 1.00 0.00 H new ATOM 0 HG13 ILE A 7 2.999 -4.099 5.919 1.00 0.00 H new ATOM 0 HG21 ILE A 7 6.320 -4.435 7.672 1.00 0.00 H new ATOM 0 HG22 ILE A 7 5.739 -5.669 8.816 1.00 0.00 H new ATOM 0 HG23 ILE A 7 5.885 -6.058 7.085 1.00 0.00 H new ATOM 0 HD11 ILE A 7 4.704 -2.527 5.038 1.00 0.00 H new ATOM 0 HD12 ILE A 7 4.394 -2.208 6.762 1.00 0.00 H new ATOM 0 HD13 ILE A 7 5.862 -3.085 6.269 1.00 0.00 H new ATOM 127 N ALA A 8 4.121 -7.996 8.749 1.00 0.00 N ATOM 128 CA ALA A 8 4.524 -8.860 9.847 1.00 0.00 C ATOM 129 C ALA A 8 5.673 -8.235 10.612 1.00 0.00 C ATOM 130 O ALA A 8 6.660 -7.763 10.049 1.00 0.00 O ATOM 131 CB ALA A 8 4.959 -10.215 9.296 1.00 0.00 C ATOM 0 H ALA A 8 4.269 -8.388 7.819 1.00 0.00 H new ATOM 0 HA ALA A 8 3.678 -8.991 10.522 1.00 0.00 H new ATOM 0 HB1 ALA A 8 5.261 -10.863 10.119 1.00 0.00 H new ATOM 0 HB2 ALA A 8 4.128 -10.673 8.760 1.00 0.00 H new ATOM 0 HB3 ALA A 8 5.799 -10.078 8.615 1.00 0.00 H new ATOM 137 N LYS A 9 5.488 -8.239 11.921 1.00 0.00 N ATOM 138 CA LYS A 9 6.446 -7.679 12.849 1.00 0.00 C ATOM 139 C LYS A 9 7.801 -8.375 12.740 1.00 0.00 C ATOM 140 O LYS A 9 8.835 -7.780 13.045 1.00 0.00 O ATOM 141 CB LYS A 9 5.890 -7.752 14.275 1.00 0.00 C ATOM 142 CG LYS A 9 6.903 -7.220 15.299 1.00 0.00 C ATOM 143 CD LYS A 9 6.295 -7.317 16.697 1.00 0.00 C ATOM 144 CE LYS A 9 7.350 -6.939 17.735 1.00 0.00 C ATOM 145 NZ LYS A 9 6.710 -6.836 19.075 1.00 0.00 N ATOM 0 H LYS A 9 4.662 -8.635 12.369 1.00 0.00 H new ATOM 0 HA LYS A 9 6.608 -6.632 12.593 1.00 0.00 H new ATOM 0 HB2 LYS A 9 4.969 -7.173 14.338 1.00 0.00 H new ATOM 0 HB3 LYS A 9 5.635 -8.784 14.515 1.00 0.00 H new ATOM 0 HG2 LYS A 9 7.827 -7.797 15.249 1.00 0.00 H new ATOM 0 HG3 LYS A 9 7.160 -6.186 15.071 1.00 0.00 H new ATOM 0 HD2 LYS A 9 5.434 -6.653 16.778 1.00 0.00 H new ATOM 0 HD3 LYS A 9 5.935 -8.329 16.880 1.00 0.00 H new ATOM 0 HE2 LYS A 9 8.142 -7.688 17.754 1.00 0.00 H new ATOM 0 HE3 LYS A 9 7.815 -5.990 17.468 1.00 0.00 H new ATOM 0 HZ1 LYS A 9 7.427 -6.579 19.783 1.00 0.00 H new ATOM 0 HZ2 LYS A 9 5.969 -6.106 19.051 1.00 0.00 H new ATOM 0 HZ3 LYS A 9 6.286 -7.751 19.328 1.00 0.00 H new ATOM 159 N THR A 10 7.798 -9.630 12.288 1.00 0.00 N ATOM 160 CA THR A 10 9.036 -10.385 12.128 1.00 0.00 C ATOM 161 C THR A 10 9.916 -9.721 11.078 1.00 0.00 C ATOM 162 O THR A 10 11.089 -10.065 10.935 1.00 0.00 O ATOM 163 CB THR A 10 8.717 -11.816 11.681 1.00 0.00 C ATOM 164 OG1 THR A 10 7.829 -11.771 10.571 1.00 0.00 O ATOM 165 CG2 THR A 10 8.061 -12.599 12.825 1.00 0.00 C ATOM 0 H THR A 10 6.954 -10.141 12.028 1.00 0.00 H new ATOM 0 HA THR A 10 9.561 -10.407 13.083 1.00 0.00 H new ATOM 0 HB THR A 10 9.644 -12.315 11.399 1.00 0.00 H new ATOM 0 HG1 THR A 10 7.623 -12.684 10.280 1.00 0.00 H new ATOM 0 HG21 THR A 10 7.840 -13.613 12.492 1.00 0.00 H new ATOM 0 HG22 THR A 10 8.740 -12.636 13.677 1.00 0.00 H new ATOM 0 HG23 THR A 10 7.135 -12.105 13.120 1.00 0.00 H new ATOM 173 N SER A 11 9.351 -8.763 10.345 1.00 0.00 N ATOM 174 CA SER A 11 10.096 -8.042 9.308 1.00 0.00 C ATOM 175 C SER A 11 10.077 -6.539 9.596 1.00 0.00 C ATOM 176 O SER A 11 9.287 -5.802 9.007 1.00 0.00 O ATOM 177 CB SER A 11 9.459 -8.304 7.942 1.00 0.00 C ATOM 178 OG SER A 11 9.654 -9.666 7.589 1.00 0.00 O ATOM 0 H SER A 11 8.381 -8.466 10.448 1.00 0.00 H new ATOM 0 HA SER A 11 11.128 -8.393 9.305 1.00 0.00 H new ATOM 0 HB2 SER A 11 8.394 -8.073 7.974 1.00 0.00 H new ATOM 0 HB3 SER A 11 9.904 -7.653 7.189 1.00 0.00 H new ATOM 0 HG SER A 11 9.246 -9.839 6.715 1.00 0.00 H new ATOM 184 N PRO A 12 10.919 -6.074 10.490 1.00 0.00 N ATOM 185 CA PRO A 12 10.988 -4.636 10.861 1.00 0.00 C ATOM 186 C PRO A 12 11.587 -3.749 9.767 1.00 0.00 C ATOM 187 O PRO A 12 12.650 -4.047 9.221 1.00 0.00 O ATOM 188 CB PRO A 12 11.790 -4.589 12.180 1.00 0.00 C ATOM 189 CG PRO A 12 12.140 -6.020 12.512 1.00 0.00 C ATOM 190 CD PRO A 12 11.908 -6.853 11.245 1.00 0.00 C ATOM 0 HA PRO A 12 9.988 -4.222 10.989 1.00 0.00 H new ATOM 0 HB2 PRO A 12 12.690 -3.984 12.067 1.00 0.00 H new ATOM 0 HB3 PRO A 12 11.201 -4.137 12.978 1.00 0.00 H new ATOM 0 HG2 PRO A 12 13.178 -6.096 12.837 1.00 0.00 H new ATOM 0 HG3 PRO A 12 11.522 -6.387 13.331 1.00 0.00 H new ATOM 0 HD2 PRO A 12 12.830 -6.985 10.679 1.00 0.00 H new ATOM 0 HD3 PRO A 12 11.535 -7.849 11.484 1.00 0.00 H new ATOM 198 N LEU A 13 10.907 -2.636 9.482 1.00 0.00 N ATOM 199 CA LEU A 13 11.370 -1.671 8.487 1.00 0.00 C ATOM 200 C LEU A 13 11.855 -0.416 9.228 1.00 0.00 C ATOM 201 O LEU A 13 11.344 -0.106 10.303 1.00 0.00 O ATOM 202 CB LEU A 13 10.231 -1.345 7.517 1.00 0.00 C ATOM 203 CG LEU A 13 9.626 -2.653 6.963 1.00 0.00 C ATOM 204 CD1 LEU A 13 8.621 -2.340 5.844 1.00 0.00 C ATOM 205 CD2 LEU A 13 10.738 -3.558 6.401 1.00 0.00 C ATOM 0 H LEU A 13 10.027 -2.381 9.931 1.00 0.00 H new ATOM 0 HA LEU A 13 12.194 -2.080 7.901 1.00 0.00 H new ATOM 0 HB2 LEU A 13 9.462 -0.765 8.027 1.00 0.00 H new ATOM 0 HB3 LEU A 13 10.603 -0.730 6.698 1.00 0.00 H new ATOM 0 HG LEU A 13 9.116 -3.167 7.778 1.00 0.00 H new ATOM 0 HD11 LEU A 13 8.201 -3.270 5.461 1.00 0.00 H new ATOM 0 HD12 LEU A 13 7.820 -1.716 6.239 1.00 0.00 H new ATOM 0 HD13 LEU A 13 9.128 -1.812 5.037 1.00 0.00 H new ATOM 0 HD21 LEU A 13 10.298 -4.477 6.014 1.00 0.00 H new ATOM 0 HD22 LEU A 13 11.259 -3.038 5.597 1.00 0.00 H new ATOM 0 HD23 LEU A 13 11.445 -3.801 7.194 1.00 0.00 H new ATOM 217 N PRO A 14 12.854 0.278 8.728 1.00 0.00 N ATOM 218 CA PRO A 14 13.414 1.467 9.436 1.00 0.00 C ATOM 219 C PRO A 14 12.332 2.429 9.948 1.00 0.00 C ATOM 220 O PRO A 14 11.250 2.552 9.374 1.00 0.00 O ATOM 221 CB PRO A 14 14.368 2.139 8.427 1.00 0.00 C ATOM 222 CG PRO A 14 14.299 1.323 7.154 1.00 0.00 C ATOM 223 CD PRO A 14 13.561 0.012 7.468 1.00 0.00 C ATOM 0 HA PRO A 14 13.940 1.164 10.342 1.00 0.00 H new ATOM 0 HB2 PRO A 14 14.071 3.171 8.242 1.00 0.00 H new ATOM 0 HB3 PRO A 14 15.386 2.165 8.815 1.00 0.00 H new ATOM 0 HG2 PRO A 14 13.776 1.877 6.374 1.00 0.00 H new ATOM 0 HG3 PRO A 14 15.302 1.115 6.780 1.00 0.00 H new ATOM 0 HD2 PRO A 14 12.866 -0.252 6.671 1.00 0.00 H new ATOM 0 HD3 PRO A 14 14.257 -0.820 7.572 1.00 0.00 H new ATOM 231 N ALA A 15 12.673 3.073 11.065 1.00 0.00 N ATOM 232 CA ALA A 15 11.801 4.026 11.761 1.00 0.00 C ATOM 233 C ALA A 15 11.352 5.184 10.866 1.00 0.00 C ATOM 234 O ALA A 15 11.458 6.347 11.254 1.00 0.00 O ATOM 235 CB ALA A 15 12.569 4.601 12.949 1.00 0.00 C ATOM 0 H ALA A 15 13.577 2.947 11.520 1.00 0.00 H new ATOM 0 HA ALA A 15 10.906 3.488 12.074 1.00 0.00 H new ATOM 0 HB1 ALA A 15 11.937 5.313 13.480 1.00 0.00 H new ATOM 0 HB2 ALA A 15 12.853 3.794 13.624 1.00 0.00 H new ATOM 0 HB3 ALA A 15 13.466 5.108 12.592 1.00 0.00 H new ATOM 241 N GLY A 16 10.860 4.873 9.677 1.00 0.00 N ATOM 242 CA GLY A 16 10.410 5.904 8.749 1.00 0.00 C ATOM 243 C GLY A 16 9.774 5.263 7.530 1.00 0.00 C ATOM 244 O GLY A 16 9.084 5.913 6.746 1.00 0.00 O ATOM 0 H GLY A 16 10.761 3.919 9.331 1.00 0.00 H new ATOM 0 HA2 GLY A 16 9.692 6.560 9.241 1.00 0.00 H new ATOM 0 HA3 GLY A 16 11.253 6.525 8.446 1.00 0.00 H new ATOM 248 N ALA A 17 10.056 3.979 7.373 1.00 0.00 N ATOM 249 CA ALA A 17 9.569 3.213 6.241 1.00 0.00 C ATOM 250 C ALA A 17 8.056 3.009 6.220 1.00 0.00 C ATOM 251 O ALA A 17 7.437 3.143 5.165 1.00 0.00 O ATOM 252 CB ALA A 17 10.310 1.880 6.152 1.00 0.00 C ATOM 0 H ALA A 17 10.627 3.442 8.025 1.00 0.00 H new ATOM 0 HA ALA A 17 9.782 3.811 5.355 1.00 0.00 H new ATOM 0 HB1 ALA A 17 9.937 1.313 5.299 1.00 0.00 H new ATOM 0 HB2 ALA A 17 11.377 2.064 6.027 1.00 0.00 H new ATOM 0 HB3 ALA A 17 10.145 1.310 7.067 1.00 0.00 H new ATOM 258 N ILE A 18 7.449 2.679 7.353 1.00 0.00 N ATOM 259 CA ILE A 18 6.008 2.469 7.360 1.00 0.00 C ATOM 260 C ILE A 18 5.295 3.748 6.915 1.00 0.00 C ATOM 261 O ILE A 18 4.443 3.719 6.028 1.00 0.00 O ATOM 262 CB ILE A 18 5.552 2.025 8.774 1.00 0.00 C ATOM 263 CG1 ILE A 18 5.648 0.497 8.897 1.00 0.00 C ATOM 264 CG2 ILE A 18 4.103 2.447 9.050 1.00 0.00 C ATOM 265 CD1 ILE A 18 7.093 0.045 8.694 1.00 0.00 C ATOM 0 H ILE A 18 7.914 2.554 8.252 1.00 0.00 H new ATOM 0 HA ILE A 18 5.746 1.678 6.657 1.00 0.00 H new ATOM 0 HB ILE A 18 6.207 2.508 9.500 1.00 0.00 H new ATOM 0 HG12 ILE A 18 5.294 0.180 9.878 1.00 0.00 H new ATOM 0 HG13 ILE A 18 5.003 0.023 8.157 1.00 0.00 H new ATOM 0 HG21 ILE A 18 3.813 2.121 10.049 1.00 0.00 H new ATOM 0 HG22 ILE A 18 4.021 3.532 8.984 1.00 0.00 H new ATOM 0 HG23 ILE A 18 3.444 1.988 8.313 1.00 0.00 H new ATOM 0 HD11 ILE A 18 7.151 -1.040 8.783 1.00 0.00 H new ATOM 0 HD12 ILE A 18 7.433 0.346 7.703 1.00 0.00 H new ATOM 0 HD13 ILE A 18 7.728 0.506 9.451 1.00 0.00 H new ATOM 277 N ASP A 19 5.664 4.870 7.529 1.00 0.00 N ATOM 278 CA ASP A 19 5.055 6.143 7.167 1.00 0.00 C ATOM 279 C ASP A 19 5.351 6.464 5.706 1.00 0.00 C ATOM 280 O ASP A 19 4.482 6.968 4.995 1.00 0.00 O ATOM 281 CB ASP A 19 5.530 7.270 8.089 1.00 0.00 C ATOM 282 CG ASP A 19 4.863 7.143 9.455 1.00 0.00 C ATOM 283 OD1 ASP A 19 3.927 6.368 9.565 1.00 0.00 O ATOM 284 OD2 ASP A 19 5.296 7.824 10.370 1.00 0.00 O ATOM 0 H ASP A 19 6.368 4.923 8.265 1.00 0.00 H new ATOM 0 HA ASP A 19 3.976 6.058 7.293 1.00 0.00 H new ATOM 0 HB2 ASP A 19 6.614 7.229 8.199 1.00 0.00 H new ATOM 0 HB3 ASP A 19 5.291 8.237 7.647 1.00 0.00 H new ATOM 289 N ALA A 20 6.572 6.183 5.247 1.00 0.00 N ATOM 290 CA ALA A 20 6.907 6.475 3.860 1.00 0.00 C ATOM 291 C ALA A 20 6.079 5.610 2.906 1.00 0.00 C ATOM 292 O ALA A 20 5.595 6.090 1.881 1.00 0.00 O ATOM 293 CB ALA A 20 8.411 6.292 3.607 1.00 0.00 C ATOM 0 H ALA A 20 7.322 5.766 5.799 1.00 0.00 H new ATOM 0 HA ALA A 20 6.661 7.519 3.666 1.00 0.00 H new ATOM 0 HB1 ALA A 20 8.634 6.516 2.564 1.00 0.00 H new ATOM 0 HB2 ALA A 20 8.973 6.967 4.252 1.00 0.00 H new ATOM 0 HB3 ALA A 20 8.694 5.262 3.825 1.00 0.00 H new ATOM 299 N LEU A 21 5.919 4.337 3.255 1.00 0.00 N ATOM 300 CA LEU A 21 5.155 3.402 2.450 1.00 0.00 C ATOM 301 C LEU A 21 3.704 3.845 2.298 1.00 0.00 C ATOM 302 O LEU A 21 3.159 3.868 1.195 1.00 0.00 O ATOM 303 CB LEU A 21 5.252 2.016 3.111 1.00 0.00 C ATOM 304 CG LEU A 21 4.326 1.012 2.428 1.00 0.00 C ATOM 305 CD1 LEU A 21 4.726 0.820 0.962 1.00 0.00 C ATOM 306 CD2 LEU A 21 4.413 -0.334 3.149 1.00 0.00 C ATOM 0 H LEU A 21 6.316 3.930 4.102 1.00 0.00 H new ATOM 0 HA LEU A 21 5.568 3.363 1.442 1.00 0.00 H new ATOM 0 HB2 LEU A 21 6.280 1.658 3.062 1.00 0.00 H new ATOM 0 HB3 LEU A 21 4.992 2.095 4.167 1.00 0.00 H new ATOM 0 HG LEU A 21 3.307 1.396 2.470 1.00 0.00 H new ATOM 0 HD11 LEU A 21 4.054 0.101 0.493 1.00 0.00 H new ATOM 0 HD12 LEU A 21 4.659 1.774 0.439 1.00 0.00 H new ATOM 0 HD13 LEU A 21 5.749 0.448 0.910 1.00 0.00 H new ATOM 0 HD21 LEU A 21 3.752 -1.051 2.662 1.00 0.00 H new ATOM 0 HD22 LEU A 21 5.438 -0.702 3.111 1.00 0.00 H new ATOM 0 HD23 LEU A 21 4.110 -0.210 4.189 1.00 0.00 H new ATOM 318 N ALA A 22 3.087 4.193 3.420 1.00 0.00 N ATOM 319 CA ALA A 22 1.700 4.634 3.412 1.00 0.00 C ATOM 320 C ALA A 22 1.556 5.876 2.538 1.00 0.00 C ATOM 321 O ALA A 22 0.566 6.016 1.820 1.00 0.00 O ATOM 322 CB ALA A 22 1.217 4.934 4.832 1.00 0.00 C ATOM 0 H ALA A 22 3.523 4.178 4.342 1.00 0.00 H new ATOM 0 HA ALA A 22 1.085 3.832 3.003 1.00 0.00 H new ATOM 0 HB1 ALA A 22 0.178 5.262 4.801 1.00 0.00 H new ATOM 0 HB2 ALA A 22 1.295 4.033 5.441 1.00 0.00 H new ATOM 0 HB3 ALA A 22 1.833 5.721 5.267 1.00 0.00 H new ATOM 328 N GLY A 23 2.535 6.765 2.578 1.00 0.00 N ATOM 329 CA GLY A 23 2.489 7.973 1.761 1.00 0.00 C ATOM 330 C GLY A 23 2.643 7.656 0.275 1.00 0.00 C ATOM 331 O GLY A 23 1.890 8.181 -0.545 1.00 0.00 O ATOM 0 H GLY A 23 3.367 6.677 3.162 1.00 0.00 H new ATOM 0 HA2 GLY A 23 1.543 8.489 1.927 1.00 0.00 H new ATOM 0 HA3 GLY A 23 3.282 8.653 2.072 1.00 0.00 H new ATOM 335 N GLU A 24 3.610 6.814 -0.091 1.00 0.00 N ATOM 336 CA GLU A 24 3.792 6.498 -1.506 1.00 0.00 C ATOM 337 C GLU A 24 2.558 5.781 -2.053 1.00 0.00 C ATOM 338 O GLU A 24 2.135 6.034 -3.180 1.00 0.00 O ATOM 339 CB GLU A 24 5.063 5.657 -1.713 1.00 0.00 C ATOM 340 CG GLU A 24 5.321 5.476 -3.213 1.00 0.00 C ATOM 341 CD GLU A 24 5.665 6.820 -3.846 1.00 0.00 C ATOM 342 OE1 GLU A 24 6.051 7.716 -3.115 1.00 0.00 O ATOM 343 OE2 GLU A 24 5.531 6.934 -5.053 1.00 0.00 O ATOM 0 H GLU A 24 4.258 6.353 0.548 1.00 0.00 H new ATOM 0 HA GLU A 24 3.915 7.429 -2.060 1.00 0.00 H new ATOM 0 HB2 GLU A 24 5.916 6.147 -1.244 1.00 0.00 H new ATOM 0 HB3 GLU A 24 4.950 4.685 -1.233 1.00 0.00 H new ATOM 0 HG2 GLU A 24 6.138 4.771 -3.368 1.00 0.00 H new ATOM 0 HG3 GLU A 24 4.439 5.053 -3.694 1.00 0.00 H new ATOM 350 N LEU A 25 1.994 4.882 -1.260 1.00 0.00 N ATOM 351 CA LEU A 25 0.819 4.139 -1.707 1.00 0.00 C ATOM 352 C LEU A 25 -0.399 5.037 -1.926 1.00 0.00 C ATOM 353 O LEU A 25 -1.140 4.858 -2.888 1.00 0.00 O ATOM 354 CB LEU A 25 0.449 3.039 -0.705 1.00 0.00 C ATOM 355 CG LEU A 25 1.475 1.898 -0.738 1.00 0.00 C ATOM 356 CD1 LEU A 25 1.197 0.964 0.443 1.00 0.00 C ATOM 357 CD2 LEU A 25 1.367 1.097 -2.054 1.00 0.00 C ATOM 0 H LEU A 25 2.320 4.650 -0.322 1.00 0.00 H new ATOM 0 HA LEU A 25 1.093 3.695 -2.664 1.00 0.00 H new ATOM 0 HB2 LEU A 25 0.399 3.459 0.300 1.00 0.00 H new ATOM 0 HB3 LEU A 25 -0.542 2.649 -0.937 1.00 0.00 H new ATOM 0 HG LEU A 25 2.479 2.318 -0.673 1.00 0.00 H new ATOM 0 HD11 LEU A 25 1.917 0.145 0.437 1.00 0.00 H new ATOM 0 HD12 LEU A 25 1.288 1.520 1.376 1.00 0.00 H new ATOM 0 HD13 LEU A 25 0.188 0.560 0.358 1.00 0.00 H new ATOM 0 HD21 LEU A 25 2.104 0.294 -2.053 1.00 0.00 H new ATOM 0 HD22 LEU A 25 0.367 0.671 -2.140 1.00 0.00 H new ATOM 0 HD23 LEU A 25 1.553 1.759 -2.899 1.00 0.00 H new ATOM 369 N SER A 26 -0.616 5.983 -1.025 1.00 0.00 N ATOM 370 CA SER A 26 -1.769 6.874 -1.131 1.00 0.00 C ATOM 371 C SER A 26 -1.720 7.730 -2.393 1.00 0.00 C ATOM 372 O SER A 26 -2.719 7.847 -3.102 1.00 0.00 O ATOM 373 CB SER A 26 -1.820 7.787 0.094 1.00 0.00 C ATOM 374 OG SER A 26 -3.000 8.579 0.040 1.00 0.00 O ATOM 0 H SER A 26 -0.017 6.156 -0.218 1.00 0.00 H new ATOM 0 HA SER A 26 -2.663 6.252 -1.184 1.00 0.00 H new ATOM 0 HB2 SER A 26 -1.809 7.191 1.007 1.00 0.00 H new ATOM 0 HB3 SER A 26 -0.939 8.428 0.121 1.00 0.00 H new ATOM 0 HG SER A 26 -3.037 9.165 0.825 1.00 0.00 H new ATOM 380 N ARG A 27 -0.573 8.338 -2.670 1.00 0.00 N ATOM 381 CA ARG A 27 -0.453 9.186 -3.852 1.00 0.00 C ATOM 382 C ARG A 27 -0.735 8.376 -5.115 1.00 0.00 C ATOM 383 O ARG A 27 -1.440 8.844 -6.008 1.00 0.00 O ATOM 384 CB ARG A 27 0.948 9.790 -3.925 1.00 0.00 C ATOM 385 CG ARG A 27 1.054 10.673 -5.168 1.00 0.00 C ATOM 386 CD ARG A 27 2.386 11.416 -5.155 1.00 0.00 C ATOM 387 NE ARG A 27 2.562 12.137 -6.409 1.00 0.00 N ATOM 388 CZ ARG A 27 3.736 12.656 -6.742 1.00 0.00 C ATOM 389 NH1 ARG A 27 4.615 12.923 -5.816 1.00 0.00 N ATOM 390 NH2 ARG A 27 4.010 12.898 -7.993 1.00 0.00 N ATOM 0 H ARG A 27 0.273 8.263 -2.105 1.00 0.00 H new ATOM 0 HA ARG A 27 -1.184 9.991 -3.779 1.00 0.00 H new ATOM 0 HB2 ARG A 27 1.150 10.377 -3.029 1.00 0.00 H new ATOM 0 HB3 ARG A 27 1.696 8.998 -3.963 1.00 0.00 H new ATOM 0 HG2 ARG A 27 0.975 10.063 -6.068 1.00 0.00 H new ATOM 0 HG3 ARG A 27 0.229 11.385 -5.192 1.00 0.00 H new ATOM 0 HD2 ARG A 27 2.416 12.113 -4.317 1.00 0.00 H new ATOM 0 HD3 ARG A 27 3.205 10.711 -5.013 1.00 0.00 H new ATOM 0 HE ARG A 27 1.769 12.244 -7.041 1.00 0.00 H new ATOM 0 HH11 ARG A 27 4.399 12.733 -4.838 1.00 0.00 H new ATOM 0 HH12 ARG A 27 5.519 13.322 -6.070 1.00 0.00 H new ATOM 0 HH21 ARG A 27 3.321 12.688 -8.716 1.00 0.00 H new ATOM 0 HH22 ARG A 27 4.913 13.297 -8.249 1.00 0.00 H new ATOM 404 N ARG A 28 -0.196 7.162 -5.190 1.00 0.00 N ATOM 405 CA ARG A 28 -0.427 6.321 -6.361 1.00 0.00 C ATOM 406 C ARG A 28 -1.908 5.996 -6.515 1.00 0.00 C ATOM 407 O ARG A 28 -2.451 6.005 -7.620 1.00 0.00 O ATOM 408 CB ARG A 28 0.393 5.032 -6.253 1.00 0.00 C ATOM 409 CG ARG A 28 0.153 4.145 -7.484 1.00 0.00 C ATOM 410 CD ARG A 28 0.507 4.907 -8.770 1.00 0.00 C ATOM 411 NE ARG A 28 1.623 5.814 -8.531 1.00 0.00 N ATOM 412 CZ ARG A 28 2.875 5.371 -8.491 1.00 0.00 C ATOM 413 NH1 ARG A 28 3.397 4.803 -9.541 1.00 0.00 N ATOM 414 NH2 ARG A 28 3.580 5.509 -7.401 1.00 0.00 N ATOM 0 H ARG A 28 0.393 6.745 -4.469 1.00 0.00 H new ATOM 0 HA ARG A 28 -0.108 6.871 -7.246 1.00 0.00 H new ATOM 0 HB2 ARG A 28 1.453 5.273 -6.170 1.00 0.00 H new ATOM 0 HB3 ARG A 28 0.117 4.492 -5.347 1.00 0.00 H new ATOM 0 HG2 ARG A 28 0.757 3.240 -7.412 1.00 0.00 H new ATOM 0 HG3 ARG A 28 -0.890 3.830 -7.516 1.00 0.00 H new ATOM 0 HD2 ARG A 28 0.766 4.201 -9.559 1.00 0.00 H new ATOM 0 HD3 ARG A 28 -0.360 5.470 -9.117 1.00 0.00 H new ATOM 0 HE ARG A 28 1.439 6.808 -8.392 1.00 0.00 H new ATOM 0 HH11 ARG A 28 2.845 4.699 -10.392 1.00 0.00 H new ATOM 0 HH12 ARG A 28 4.358 4.462 -9.512 1.00 0.00 H new ATOM 0 HH21 ARG A 28 3.170 5.956 -6.581 1.00 0.00 H new ATOM 0 HH22 ARG A 28 4.541 5.169 -7.369 1.00 0.00 H new ATOM 428 N ILE A 29 -2.546 5.718 -5.389 1.00 0.00 N ATOM 429 CA ILE A 29 -3.967 5.392 -5.370 1.00 0.00 C ATOM 430 C ILE A 29 -4.815 6.554 -5.876 1.00 0.00 C ATOM 431 O ILE A 29 -5.720 6.370 -6.690 1.00 0.00 O ATOM 432 CB ILE A 29 -4.375 5.016 -3.934 1.00 0.00 C ATOM 433 CG1 ILE A 29 -3.760 3.643 -3.556 1.00 0.00 C ATOM 434 CG2 ILE A 29 -5.902 4.985 -3.797 1.00 0.00 C ATOM 435 CD1 ILE A 29 -4.592 2.467 -4.104 1.00 0.00 C ATOM 0 H ILE A 29 -2.101 5.711 -4.471 1.00 0.00 H new ATOM 0 HA ILE A 29 -4.142 4.549 -6.039 1.00 0.00 H new ATOM 0 HB ILE A 29 -3.993 5.772 -3.248 1.00 0.00 H new ATOM 0 HG12 ILE A 29 -2.744 3.581 -3.946 1.00 0.00 H new ATOM 0 HG13 ILE A 29 -3.690 3.563 -2.471 1.00 0.00 H new ATOM 0 HG21 ILE A 29 -6.170 4.717 -2.775 1.00 0.00 H new ATOM 0 HG22 ILE A 29 -6.309 5.968 -4.033 1.00 0.00 H new ATOM 0 HG23 ILE A 29 -6.314 4.247 -4.485 1.00 0.00 H new ATOM 0 HD11 ILE A 29 -4.125 1.525 -3.816 1.00 0.00 H new ATOM 0 HD12 ILE A 29 -5.601 2.512 -3.693 1.00 0.00 H new ATOM 0 HD13 ILE A 29 -4.640 2.530 -5.191 1.00 0.00 H new ATOM 447 N GLN A 30 -4.507 7.743 -5.392 1.00 0.00 N ATOM 448 CA GLN A 30 -5.242 8.935 -5.805 1.00 0.00 C ATOM 449 C GLN A 30 -5.108 9.153 -7.304 1.00 0.00 C ATOM 450 O GLN A 30 -6.092 9.491 -7.963 1.00 0.00 O ATOM 451 CB GLN A 30 -4.758 10.178 -5.046 1.00 0.00 C ATOM 452 CG GLN A 30 -5.205 10.132 -3.574 1.00 0.00 C ATOM 453 CD GLN A 30 -4.670 11.353 -2.842 1.00 0.00 C ATOM 454 OE1 GLN A 30 -3.633 11.900 -3.218 1.00 0.00 O ATOM 455 NE2 GLN A 30 -5.320 11.818 -1.812 1.00 0.00 N ATOM 0 H GLN A 30 -3.761 7.914 -4.718 1.00 0.00 H new ATOM 0 HA GLN A 30 -6.293 8.776 -5.564 1.00 0.00 H new ATOM 0 HB2 GLN A 30 -3.671 10.240 -5.098 1.00 0.00 H new ATOM 0 HB3 GLN A 30 -5.152 11.076 -5.522 1.00 0.00 H new ATOM 0 HG2 GLN A 30 -6.293 10.107 -3.514 1.00 0.00 H new ATOM 0 HG3 GLN A 30 -4.839 9.221 -3.100 1.00 0.00 H new ATOM 0 HE21 GLN A 30 -6.179 11.363 -1.503 1.00 0.00 H new ATOM 0 HE22 GLN A 30 -4.970 12.637 -1.315 1.00 0.00 H new ATOM 464 N TYR A 31 -3.919 8.946 -7.868 1.00 0.00 N ATOM 465 CA TYR A 31 -3.745 9.117 -9.301 1.00 0.00 C ATOM 466 C TYR A 31 -4.555 8.062 -10.050 1.00 0.00 C ATOM 467 O TYR A 31 -5.158 8.351 -11.085 1.00 0.00 O ATOM 468 CB TYR A 31 -2.270 9.026 -9.689 1.00 0.00 C ATOM 469 CG TYR A 31 -2.130 9.199 -11.186 1.00 0.00 C ATOM 470 CD1 TYR A 31 -2.178 10.479 -11.757 1.00 0.00 C ATOM 471 CD2 TYR A 31 -1.951 8.076 -12.005 1.00 0.00 C ATOM 472 CE1 TYR A 31 -2.047 10.633 -13.144 1.00 0.00 C ATOM 473 CE2 TYR A 31 -1.818 8.232 -13.390 1.00 0.00 C ATOM 474 CZ TYR A 31 -1.867 9.508 -13.960 1.00 0.00 C ATOM 475 OH TYR A 31 -1.737 9.661 -15.325 1.00 0.00 O ATOM 0 H TYR A 31 -3.079 8.665 -7.362 1.00 0.00 H new ATOM 0 HA TYR A 31 -4.105 10.108 -9.576 1.00 0.00 H new ATOM 0 HB2 TYR A 31 -1.698 9.794 -9.168 1.00 0.00 H new ATOM 0 HB3 TYR A 31 -1.862 8.063 -9.384 1.00 0.00 H new ATOM 0 HD1 TYR A 31 -2.316 11.346 -11.128 1.00 0.00 H new ATOM 0 HD2 TYR A 31 -1.916 7.089 -11.567 1.00 0.00 H new ATOM 0 HE1 TYR A 31 -2.085 11.619 -13.584 1.00 0.00 H new ATOM 0 HE2 TYR A 31 -1.677 7.366 -14.019 1.00 0.00 H new ATOM 0 HH TYR A 31 -1.618 8.783 -15.743 1.00 0.00 H new ATOM 485 N ALA A 32 -4.560 6.841 -9.530 1.00 0.00 N ATOM 486 CA ALA A 32 -5.293 5.749 -10.163 1.00 0.00 C ATOM 487 C ALA A 32 -6.804 5.937 -10.042 1.00 0.00 C ATOM 488 O ALA A 32 -7.556 5.626 -10.967 1.00 0.00 O ATOM 489 CB ALA A 32 -4.893 4.426 -9.508 1.00 0.00 C ATOM 0 H ALA A 32 -4.067 6.581 -8.675 1.00 0.00 H new ATOM 0 HA ALA A 32 -5.039 5.742 -11.223 1.00 0.00 H new ATOM 0 HB1 ALA A 32 -5.438 3.608 -9.978 1.00 0.00 H new ATOM 0 HB2 ALA A 32 -3.822 4.267 -9.633 1.00 0.00 H new ATOM 0 HB3 ALA A 32 -5.133 4.459 -8.445 1.00 0.00 H new ATOM 495 N PHE A 33 -7.241 6.432 -8.880 1.00 0.00 N ATOM 496 CA PHE A 33 -8.669 6.649 -8.616 1.00 0.00 C ATOM 497 C PHE A 33 -8.962 8.126 -8.335 1.00 0.00 C ATOM 498 O PHE A 33 -8.953 8.554 -7.181 1.00 0.00 O ATOM 499 CB PHE A 33 -9.101 5.823 -7.402 1.00 0.00 C ATOM 500 CG PHE A 33 -8.922 4.354 -7.702 1.00 0.00 C ATOM 501 CD1 PHE A 33 -9.966 3.633 -8.295 1.00 0.00 C ATOM 502 CD2 PHE A 33 -7.712 3.717 -7.404 1.00 0.00 C ATOM 503 CE1 PHE A 33 -9.802 2.273 -8.584 1.00 0.00 C ATOM 504 CE2 PHE A 33 -7.548 2.356 -7.692 1.00 0.00 C ATOM 505 CZ PHE A 33 -8.593 1.634 -8.282 1.00 0.00 C ATOM 0 H PHE A 33 -6.628 6.690 -8.107 1.00 0.00 H new ATOM 0 HA PHE A 33 -9.224 6.341 -9.502 1.00 0.00 H new ATOM 0 HB2 PHE A 33 -8.509 6.102 -6.530 1.00 0.00 H new ATOM 0 HB3 PHE A 33 -10.143 6.031 -7.160 1.00 0.00 H new ATOM 0 HD1 PHE A 33 -10.898 4.126 -8.529 1.00 0.00 H new ATOM 0 HD2 PHE A 33 -6.905 4.275 -6.952 1.00 0.00 H new ATOM 0 HE1 PHE A 33 -10.608 1.717 -9.040 1.00 0.00 H new ATOM 0 HE2 PHE A 33 -6.616 1.863 -7.459 1.00 0.00 H new ATOM 0 HZ PHE A 33 -8.467 0.585 -8.504 1.00 0.00 H new ATOM 515 N PRO A 34 -9.220 8.910 -9.356 1.00 0.00 N ATOM 516 CA PRO A 34 -9.520 10.362 -9.194 1.00 0.00 C ATOM 517 C PRO A 34 -10.926 10.645 -8.645 1.00 0.00 C ATOM 518 O PRO A 34 -11.183 11.697 -8.060 1.00 0.00 O ATOM 519 CB PRO A 34 -9.386 10.944 -10.632 1.00 0.00 C ATOM 520 CG PRO A 34 -8.998 9.803 -11.536 1.00 0.00 C ATOM 521 CD PRO A 34 -9.248 8.504 -10.769 1.00 0.00 C ATOM 0 HA PRO A 34 -8.843 10.810 -8.467 1.00 0.00 H new ATOM 0 HB2 PRO A 34 -10.326 11.390 -10.956 1.00 0.00 H new ATOM 0 HB3 PRO A 34 -8.633 11.732 -10.660 1.00 0.00 H new ATOM 0 HG2 PRO A 34 -9.585 9.825 -12.454 1.00 0.00 H new ATOM 0 HG3 PRO A 34 -7.950 9.882 -11.825 1.00 0.00 H new ATOM 0 HD2 PRO A 34 -10.207 8.061 -11.037 1.00 0.00 H new ATOM 0 HD3 PRO A 34 -8.481 7.760 -10.985 1.00 0.00 H new ATOM 529 N ASP A 35 -11.840 9.709 -8.911 1.00 0.00 N ATOM 530 CA ASP A 35 -13.248 9.855 -8.524 1.00 0.00 C ATOM 531 C ASP A 35 -13.601 9.224 -7.172 1.00 0.00 C ATOM 532 O ASP A 35 -14.723 9.420 -6.704 1.00 0.00 O ATOM 533 CB ASP A 35 -14.120 9.200 -9.598 1.00 0.00 C ATOM 534 CG ASP A 35 -14.063 10.014 -10.886 1.00 0.00 C ATOM 535 OD1 ASP A 35 -13.930 11.223 -10.794 1.00 0.00 O ATOM 536 OD2 ASP A 35 -14.147 9.415 -11.945 1.00 0.00 O ATOM 0 H ASP A 35 -11.630 8.836 -9.396 1.00 0.00 H new ATOM 0 HA ASP A 35 -13.430 10.925 -8.429 1.00 0.00 H new ATOM 0 HB2 ASP A 35 -13.777 8.183 -9.786 1.00 0.00 H new ATOM 0 HB3 ASP A 35 -15.150 9.129 -9.248 1.00 0.00 H new ATOM 541 N ASN A 36 -12.713 8.434 -6.563 1.00 0.00 N ATOM 542 CA ASN A 36 -13.062 7.762 -5.292 1.00 0.00 C ATOM 543 C ASN A 36 -12.059 8.040 -4.186 1.00 0.00 C ATOM 544 O ASN A 36 -10.859 7.857 -4.392 1.00 0.00 O ATOM 545 CB ASN A 36 -13.081 6.252 -5.548 1.00 0.00 C ATOM 546 CG ASN A 36 -14.275 5.890 -6.427 1.00 0.00 C ATOM 547 OD1 ASN A 36 -15.258 6.630 -6.473 1.00 0.00 O ATOM 548 ND2 ASN A 36 -14.249 4.794 -7.134 1.00 0.00 N ATOM 0 H ASN A 36 -11.773 8.242 -6.909 1.00 0.00 H new ATOM 0 HA ASN A 36 -14.030 8.144 -4.966 1.00 0.00 H new ATOM 0 HB2 ASN A 36 -12.155 5.945 -6.033 1.00 0.00 H new ATOM 0 HB3 ASN A 36 -13.139 5.714 -4.602 1.00 0.00 H new ATOM 0 HD21 ASN A 36 -15.043 4.550 -7.725 1.00 0.00 H new ATOM 0 HD22 ASN A 36 -13.434 4.181 -7.095 1.00 0.00 H new ATOM 555 N GLU A 37 -12.513 8.440 -3.009 1.00 0.00 N ATOM 556 CA GLU A 37 -11.601 8.680 -1.905 1.00 0.00 C ATOM 557 C GLU A 37 -10.874 7.396 -1.500 1.00 0.00 C ATOM 558 O GLU A 37 -11.498 6.398 -1.148 1.00 0.00 O ATOM 559 CB GLU A 37 -12.445 9.154 -0.704 1.00 0.00 C ATOM 560 CG GLU A 37 -13.550 8.137 -0.372 1.00 0.00 C ATOM 561 CD GLU A 37 -14.598 8.786 0.528 1.00 0.00 C ATOM 562 OE1 GLU A 37 -14.289 9.802 1.127 1.00 0.00 O ATOM 563 OE2 GLU A 37 -15.693 8.253 0.606 1.00 0.00 O ATOM 0 H GLU A 37 -13.497 8.604 -2.796 1.00 0.00 H new ATOM 0 HA GLU A 37 -10.858 9.419 -2.205 1.00 0.00 H new ATOM 0 HB2 GLU A 37 -11.802 9.294 0.165 1.00 0.00 H new ATOM 0 HB3 GLU A 37 -12.892 10.122 -0.929 1.00 0.00 H new ATOM 0 HG2 GLU A 37 -14.017 7.781 -1.290 1.00 0.00 H new ATOM 0 HG3 GLU A 37 -13.119 7.268 0.125 1.00 0.00 H new ATOM 570 N GLY A 38 -9.549 7.435 -1.530 1.00 0.00 N ATOM 571 CA GLY A 38 -8.764 6.263 -1.121 1.00 0.00 C ATOM 572 C GLY A 38 -8.047 6.498 0.196 1.00 0.00 C ATOM 573 O GLY A 38 -7.272 7.452 0.287 1.00 0.00 O ATOM 0 H GLY A 38 -8.999 8.242 -1.825 1.00 0.00 H new ATOM 0 HA2 GLY A 38 -9.422 5.399 -1.028 1.00 0.00 H new ATOM 0 HA3 GLY A 38 -8.034 6.026 -1.895 1.00 0.00 H new ATOM 577 N HIS A 39 -8.256 5.654 1.213 1.00 0.00 N ATOM 578 CA HIS A 39 -7.558 5.841 2.494 1.00 0.00 C ATOM 579 C HIS A 39 -6.656 4.637 2.724 1.00 0.00 C ATOM 580 O HIS A 39 -7.126 3.499 2.691 1.00 0.00 O ATOM 581 CB HIS A 39 -8.579 5.957 3.629 1.00 0.00 C ATOM 582 CG HIS A 39 -9.472 7.144 3.377 1.00 0.00 C ATOM 583 ND1 HIS A 39 -8.984 8.441 3.348 1.00 0.00 N ATOM 584 CD2 HIS A 39 -10.821 7.246 3.140 1.00 0.00 C ATOM 585 CE1 HIS A 39 -10.022 9.261 3.101 1.00 0.00 C ATOM 586 NE2 HIS A 39 -11.166 8.584 2.965 1.00 0.00 N ATOM 0 H HIS A 39 -8.887 4.853 1.179 1.00 0.00 H new ATOM 0 HA HIS A 39 -6.963 6.754 2.471 1.00 0.00 H new ATOM 0 HB2 HIS A 39 -9.175 5.046 3.692 1.00 0.00 H new ATOM 0 HB3 HIS A 39 -8.066 6.069 4.584 1.00 0.00 H new ATOM 0 HD2 HIS A 39 -11.510 6.415 3.096 1.00 0.00 H new ATOM 0 HE1 HIS A 39 -9.940 10.335 3.022 1.00 0.00 H new ATOM 0 HE2 HIS A 39 -12.093 8.965 2.774 1.00 0.00 H new ATOM 594 N VAL A 40 -5.361 4.872 2.912 1.00 0.00 N ATOM 595 CA VAL A 40 -4.408 3.784 3.092 1.00 0.00 C ATOM 596 C VAL A 40 -3.812 3.789 4.494 1.00 0.00 C ATOM 597 O VAL A 40 -3.332 4.818 4.968 1.00 0.00 O ATOM 598 CB VAL A 40 -3.298 3.938 2.054 1.00 0.00 C ATOM 599 CG1 VAL A 40 -2.288 2.803 2.221 1.00 0.00 C ATOM 600 CG2 VAL A 40 -3.913 3.886 0.646 1.00 0.00 C ATOM 0 H VAL A 40 -4.949 5.804 2.944 1.00 0.00 H new ATOM 0 HA VAL A 40 -4.926 2.834 2.961 1.00 0.00 H new ATOM 0 HB VAL A 40 -2.791 4.893 2.192 1.00 0.00 H new ATOM 0 HG11 VAL A 40 -1.495 2.910 1.481 1.00 0.00 H new ATOM 0 HG12 VAL A 40 -1.859 2.842 3.222 1.00 0.00 H new ATOM 0 HG13 VAL A 40 -2.790 1.846 2.079 1.00 0.00 H new ATOM 0 HG21 VAL A 40 -3.125 3.995 -0.099 1.00 0.00 H new ATOM 0 HG22 VAL A 40 -4.417 2.930 0.504 1.00 0.00 H new ATOM 0 HG23 VAL A 40 -4.634 4.696 0.534 1.00 0.00 H new ATOM 610 N SER A 41 -3.832 2.626 5.141 1.00 0.00 N ATOM 611 CA SER A 41 -3.269 2.491 6.490 1.00 0.00 C ATOM 612 C SER A 41 -2.258 1.353 6.536 1.00 0.00 C ATOM 613 O SER A 41 -2.460 0.303 5.925 1.00 0.00 O ATOM 614 CB SER A 41 -4.376 2.253 7.514 1.00 0.00 C ATOM 615 OG SER A 41 -3.794 1.897 8.761 1.00 0.00 O ATOM 0 H SER A 41 -4.228 1.767 4.760 1.00 0.00 H new ATOM 0 HA SER A 41 -2.759 3.421 6.740 1.00 0.00 H new ATOM 0 HB2 SER A 41 -4.983 3.152 7.626 1.00 0.00 H new ATOM 0 HB3 SER A 41 -5.041 1.460 7.170 1.00 0.00 H new ATOM 0 HG SER A 41 -4.502 1.745 9.421 1.00 0.00 H new ATOM 621 N VAL A 42 -1.177 1.566 7.285 1.00 0.00 N ATOM 622 CA VAL A 42 -0.134 0.545 7.434 1.00 0.00 C ATOM 623 C VAL A 42 0.188 0.340 8.912 1.00 0.00 C ATOM 624 O VAL A 42 0.462 1.298 9.634 1.00 0.00 O ATOM 625 CB VAL A 42 1.135 0.953 6.680 1.00 0.00 C ATOM 626 CG1 VAL A 42 2.212 -0.121 6.869 1.00 0.00 C ATOM 627 CG2 VAL A 42 0.831 1.121 5.187 1.00 0.00 C ATOM 0 H VAL A 42 -0.998 2.430 7.796 1.00 0.00 H new ATOM 0 HA VAL A 42 -0.505 -0.389 7.012 1.00 0.00 H new ATOM 0 HB VAL A 42 1.494 1.903 7.077 1.00 0.00 H new ATOM 0 HG11 VAL A 42 3.115 0.170 6.332 1.00 0.00 H new ATOM 0 HG12 VAL A 42 2.439 -0.226 7.930 1.00 0.00 H new ATOM 0 HG13 VAL A 42 1.849 -1.072 6.480 1.00 0.00 H new ATOM 0 HG21 VAL A 42 1.740 1.411 4.661 1.00 0.00 H new ATOM 0 HG22 VAL A 42 0.463 0.178 4.782 1.00 0.00 H new ATOM 0 HG23 VAL A 42 0.073 1.893 5.055 1.00 0.00 H new ATOM 637 N ARG A 43 0.148 -0.924 9.360 1.00 0.00 N ATOM 638 CA ARG A 43 0.438 -1.233 10.765 1.00 0.00 C ATOM 639 C ARG A 43 1.100 -2.597 10.906 1.00 0.00 C ATOM 640 O ARG A 43 0.982 -3.453 10.030 1.00 0.00 O ATOM 641 CB ARG A 43 -0.854 -1.235 11.585 1.00 0.00 C ATOM 642 CG ARG A 43 -1.644 0.037 11.305 1.00 0.00 C ATOM 643 CD ARG A 43 -2.841 0.112 12.252 1.00 0.00 C ATOM 644 NE ARG A 43 -3.684 1.248 11.903 1.00 0.00 N ATOM 645 CZ ARG A 43 -4.868 1.426 12.475 1.00 0.00 C ATOM 646 NH1 ARG A 43 -4.940 1.736 13.740 1.00 0.00 N ATOM 647 NH2 ARG A 43 -5.959 1.288 11.773 1.00 0.00 N ATOM 0 H ARG A 43 -0.078 -1.733 8.782 1.00 0.00 H new ATOM 0 HA ARG A 43 1.118 -0.465 11.133 1.00 0.00 H new ATOM 0 HB2 ARG A 43 -1.454 -2.110 11.333 1.00 0.00 H new ATOM 0 HB3 ARG A 43 -0.621 -1.303 12.648 1.00 0.00 H new ATOM 0 HG2 ARG A 43 -1.006 0.911 11.438 1.00 0.00 H new ATOM 0 HG3 ARG A 43 -1.985 0.046 10.270 1.00 0.00 H new ATOM 0 HD2 ARG A 43 -3.418 -0.811 12.195 1.00 0.00 H new ATOM 0 HD3 ARG A 43 -2.495 0.208 13.281 1.00 0.00 H new ATOM 0 HE ARG A 43 -3.358 1.918 11.207 1.00 0.00 H new ATOM 0 HH11 ARG A 43 -4.087 1.841 14.289 1.00 0.00 H new ATOM 0 HH12 ARG A 43 -5.850 1.873 14.181 1.00 0.00 H new ATOM 0 HH21 ARG A 43 -5.902 1.043 10.784 1.00 0.00 H new ATOM 0 HH22 ARG A 43 -6.869 1.425 12.213 1.00 0.00 H new ATOM 661 N TYR A 44 1.775 -2.801 12.035 1.00 0.00 N ATOM 662 CA TYR A 44 2.427 -4.075 12.306 1.00 0.00 C ATOM 663 C TYR A 44 1.403 -5.059 12.867 1.00 0.00 C ATOM 664 O TYR A 44 0.571 -4.699 13.699 1.00 0.00 O ATOM 665 CB TYR A 44 3.567 -3.905 13.314 1.00 0.00 C ATOM 666 CG TYR A 44 4.749 -3.211 12.675 1.00 0.00 C ATOM 667 CD1 TYR A 44 5.485 -3.861 11.675 1.00 0.00 C ATOM 668 CD2 TYR A 44 5.131 -1.931 13.102 1.00 0.00 C ATOM 669 CE1 TYR A 44 6.599 -3.234 11.105 1.00 0.00 C ATOM 670 CE2 TYR A 44 6.242 -1.302 12.527 1.00 0.00 C ATOM 671 CZ TYR A 44 6.976 -1.955 11.530 1.00 0.00 C ATOM 672 OH TYR A 44 8.077 -1.338 10.973 1.00 0.00 O ATOM 0 H TYR A 44 1.883 -2.104 12.771 1.00 0.00 H new ATOM 0 HA TYR A 44 2.843 -4.454 11.372 1.00 0.00 H new ATOM 0 HB2 TYR A 44 3.219 -3.326 14.170 1.00 0.00 H new ATOM 0 HB3 TYR A 44 3.873 -4.881 13.692 1.00 0.00 H new ATOM 0 HD1 TYR A 44 5.192 -4.846 11.344 1.00 0.00 H new ATOM 0 HD2 TYR A 44 4.568 -1.430 13.875 1.00 0.00 H new ATOM 0 HE1 TYR A 44 7.168 -3.737 10.337 1.00 0.00 H new ATOM 0 HE2 TYR A 44 6.532 -0.314 12.852 1.00 0.00 H new ATOM 0 HH TYR A 44 8.198 -0.455 11.380 1.00 0.00 H new ATOM 682 N ALA A 45 1.471 -6.307 12.399 1.00 0.00 N ATOM 683 CA ALA A 45 0.552 -7.356 12.845 1.00 0.00 C ATOM 684 C ALA A 45 1.310 -8.671 12.987 1.00 0.00 C ATOM 685 O ALA A 45 2.445 -8.788 12.526 1.00 0.00 O ATOM 686 CB ALA A 45 -0.586 -7.519 11.835 1.00 0.00 C ATOM 0 H ALA A 45 2.155 -6.616 11.709 1.00 0.00 H new ATOM 0 HA ALA A 45 0.130 -7.076 13.810 1.00 0.00 H new ATOM 0 HB1 ALA A 45 -1.265 -8.301 12.175 1.00 0.00 H new ATOM 0 HB2 ALA A 45 -1.131 -6.579 11.746 1.00 0.00 H new ATOM 0 HB3 ALA A 45 -0.174 -7.793 10.864 1.00 0.00 H new ATOM 692 N ALA A 46 0.693 -9.661 13.625 1.00 0.00 N ATOM 693 CA ALA A 46 1.361 -10.945 13.802 1.00 0.00 C ATOM 694 C ALA A 46 1.700 -11.542 12.439 1.00 0.00 C ATOM 695 O ALA A 46 2.639 -12.330 12.324 1.00 0.00 O ATOM 696 CB ALA A 46 0.496 -11.910 14.617 1.00 0.00 C ATOM 0 H ALA A 46 -0.246 -9.603 14.019 1.00 0.00 H new ATOM 0 HA ALA A 46 2.284 -10.782 14.358 1.00 0.00 H new ATOM 0 HB1 ALA A 46 1.020 -12.859 14.733 1.00 0.00 H new ATOM 0 HB2 ALA A 46 0.300 -11.481 15.600 1.00 0.00 H new ATOM 0 HB3 ALA A 46 -0.449 -12.078 14.099 1.00 0.00 H new ATOM 702 N ALA A 47 0.917 -11.204 11.410 1.00 0.00 N ATOM 703 CA ALA A 47 1.150 -11.766 10.073 1.00 0.00 C ATOM 704 C ALA A 47 0.959 -10.738 8.957 1.00 0.00 C ATOM 705 O ALA A 47 0.157 -9.811 9.084 1.00 0.00 O ATOM 706 CB ALA A 47 0.208 -12.949 9.845 1.00 0.00 C ATOM 0 H ALA A 47 0.131 -10.557 11.472 1.00 0.00 H new ATOM 0 HA ALA A 47 2.190 -12.091 10.037 1.00 0.00 H new ATOM 0 HB1 ALA A 47 0.381 -13.366 8.853 1.00 0.00 H new ATOM 0 HB2 ALA A 47 0.396 -13.714 10.598 1.00 0.00 H new ATOM 0 HB3 ALA A 47 -0.825 -12.611 9.921 1.00 0.00 H new ATOM 712 N ASN A 48 1.664 -10.943 7.842 1.00 0.00 N ATOM 713 CA ASN A 48 1.525 -10.063 6.685 1.00 0.00 C ATOM 714 C ASN A 48 0.161 -10.333 6.055 1.00 0.00 C ATOM 715 O ASN A 48 -0.164 -11.479 5.747 1.00 0.00 O ATOM 716 CB ASN A 48 2.621 -10.360 5.655 1.00 0.00 C ATOM 717 CG ASN A 48 3.983 -9.920 6.182 1.00 0.00 C ATOM 718 OD1 ASN A 48 4.190 -8.739 6.460 1.00 0.00 O ATOM 719 ND2 ASN A 48 4.929 -10.806 6.333 1.00 0.00 N ATOM 0 H ASN A 48 2.331 -11.705 7.718 1.00 0.00 H new ATOM 0 HA ASN A 48 1.614 -9.023 6.997 1.00 0.00 H new ATOM 0 HB2 ASN A 48 2.638 -11.427 5.431 1.00 0.00 H new ATOM 0 HB3 ASN A 48 2.401 -9.842 4.722 1.00 0.00 H new ATOM 0 HD21 ASN A 48 5.844 -10.521 6.683 1.00 0.00 H new ATOM 0 HD22 ASN A 48 4.754 -11.784 6.102 1.00 0.00 H new ATOM 726 N ASN A 49 -0.636 -9.288 5.858 1.00 0.00 N ATOM 727 CA ASN A 49 -1.958 -9.448 5.257 1.00 0.00 C ATOM 728 C ASN A 49 -2.371 -8.159 4.552 1.00 0.00 C ATOM 729 O ASN A 49 -1.990 -7.064 4.965 1.00 0.00 O ATOM 730 CB ASN A 49 -2.986 -9.806 6.337 1.00 0.00 C ATOM 731 CG ASN A 49 -4.303 -10.218 5.687 1.00 0.00 C ATOM 732 OD1 ASN A 49 -4.314 -11.059 4.787 1.00 0.00 O ATOM 733 ND2 ASN A 49 -5.423 -9.693 6.104 1.00 0.00 N ATOM 0 H ASN A 49 -0.394 -8.328 6.103 1.00 0.00 H new ATOM 0 HA ASN A 49 -1.918 -10.255 4.525 1.00 0.00 H new ATOM 0 HB2 ASN A 49 -2.607 -10.619 6.957 1.00 0.00 H new ATOM 0 HB3 ASN A 49 -3.147 -8.952 6.995 1.00 0.00 H new ATOM 0 HD21 ASN A 49 -6.308 -9.979 5.685 1.00 0.00 H new ATOM 0 HD22 ASN A 49 -5.414 -8.997 6.849 1.00 0.00 H new ATOM 740 N LEU A 50 -3.176 -8.299 3.501 1.00 0.00 N ATOM 741 CA LEU A 50 -3.682 -7.155 2.739 1.00 0.00 C ATOM 742 C LEU A 50 -5.201 -7.300 2.678 1.00 0.00 C ATOM 743 O LEU A 50 -5.705 -8.314 2.196 1.00 0.00 O ATOM 744 CB LEU A 50 -3.060 -7.168 1.331 1.00 0.00 C ATOM 745 CG LEU A 50 -3.509 -5.917 0.514 1.00 0.00 C ATOM 746 CD1 LEU A 50 -2.334 -5.345 -0.295 1.00 0.00 C ATOM 747 CD2 LEU A 50 -4.628 -6.293 -0.467 1.00 0.00 C ATOM 0 H LEU A 50 -3.496 -9.203 3.153 1.00 0.00 H new ATOM 0 HA LEU A 50 -3.419 -6.206 3.205 1.00 0.00 H new ATOM 0 HB2 LEU A 50 -1.973 -7.186 1.409 1.00 0.00 H new ATOM 0 HB3 LEU A 50 -3.357 -8.076 0.806 1.00 0.00 H new ATOM 0 HG LEU A 50 -3.866 -5.171 1.224 1.00 0.00 H new ATOM 0 HD11 LEU A 50 -2.669 -4.473 -0.857 1.00 0.00 H new ATOM 0 HD12 LEU A 50 -1.533 -5.053 0.384 1.00 0.00 H new ATOM 0 HD13 LEU A 50 -1.965 -6.103 -0.986 1.00 0.00 H new ATOM 0 HD21 LEU A 50 -4.931 -5.410 -1.030 1.00 0.00 H new ATOM 0 HD22 LEU A 50 -4.266 -7.056 -1.156 1.00 0.00 H new ATOM 0 HD23 LEU A 50 -5.483 -6.680 0.087 1.00 0.00 H new ATOM 759 N SER A 51 -5.935 -6.295 3.156 1.00 0.00 N ATOM 760 CA SER A 51 -7.402 -6.339 3.136 1.00 0.00 C ATOM 761 C SER A 51 -7.957 -5.134 2.381 1.00 0.00 C ATOM 762 O SER A 51 -7.569 -3.998 2.657 1.00 0.00 O ATOM 763 CB SER A 51 -7.928 -6.309 4.573 1.00 0.00 C ATOM 764 OG SER A 51 -9.338 -6.123 4.553 1.00 0.00 O ATOM 0 H SER A 51 -5.543 -5.444 3.560 1.00 0.00 H new ATOM 0 HA SER A 51 -7.721 -7.254 2.637 1.00 0.00 H new ATOM 0 HB2 SER A 51 -7.680 -7.240 5.083 1.00 0.00 H new ATOM 0 HB3 SER A 51 -7.451 -5.503 5.130 1.00 0.00 H new ATOM 0 HG SER A 51 -9.679 -6.105 5.472 1.00 0.00 H new ATOM 770 N VAL A 52 -8.880 -5.376 1.448 1.00 0.00 N ATOM 771 CA VAL A 52 -9.500 -4.291 0.683 1.00 0.00 C ATOM 772 C VAL A 52 -11.013 -4.346 0.856 1.00 0.00 C ATOM 773 O VAL A 52 -11.629 -5.383 0.613 1.00 0.00 O ATOM 774 CB VAL A 52 -9.148 -4.423 -0.797 1.00 0.00 C ATOM 775 CG1 VAL A 52 -9.725 -3.237 -1.569 1.00 0.00 C ATOM 776 CG2 VAL A 52 -7.629 -4.456 -0.953 1.00 0.00 C ATOM 0 H VAL A 52 -9.214 -6.309 1.204 1.00 0.00 H new ATOM 0 HA VAL A 52 -9.125 -3.336 1.052 1.00 0.00 H new ATOM 0 HB VAL A 52 -9.572 -5.345 -1.194 1.00 0.00 H new ATOM 0 HG11 VAL A 52 -9.473 -3.333 -2.625 1.00 0.00 H new ATOM 0 HG12 VAL A 52 -10.809 -3.221 -1.455 1.00 0.00 H new ATOM 0 HG13 VAL A 52 -9.305 -2.310 -1.179 1.00 0.00 H new ATOM 0 HG21 VAL A 52 -7.374 -4.550 -2.008 1.00 0.00 H new ATOM 0 HG22 VAL A 52 -7.202 -3.534 -0.557 1.00 0.00 H new ATOM 0 HG23 VAL A 52 -7.225 -5.307 -0.405 1.00 0.00 H new ATOM 786 N ILE A 53 -11.614 -3.232 1.282 1.00 0.00 N ATOM 787 CA ILE A 53 -13.065 -3.175 1.487 1.00 0.00 C ATOM 788 C ILE A 53 -13.694 -2.105 0.596 1.00 0.00 C ATOM 789 O ILE A 53 -13.270 -0.950 0.608 1.00 0.00 O ATOM 790 CB ILE A 53 -13.361 -2.839 2.951 1.00 0.00 C ATOM 791 CG1 ILE A 53 -12.714 -3.883 3.869 1.00 0.00 C ATOM 792 CG2 ILE A 53 -14.874 -2.839 3.175 1.00 0.00 C ATOM 793 CD1 ILE A 53 -12.681 -3.351 5.302 1.00 0.00 C ATOM 0 H ILE A 53 -11.123 -2.363 1.491 1.00 0.00 H new ATOM 0 HA ILE A 53 -13.489 -4.146 1.230 1.00 0.00 H new ATOM 0 HB ILE A 53 -12.952 -1.855 3.182 1.00 0.00 H new ATOM 0 HG12 ILE A 53 -13.276 -4.816 3.829 1.00 0.00 H new ATOM 0 HG13 ILE A 53 -11.703 -4.105 3.529 1.00 0.00 H new ATOM 0 HG21 ILE A 53 -15.088 -2.600 4.217 1.00 0.00 H new ATOM 0 HG22 ILE A 53 -15.337 -2.093 2.529 1.00 0.00 H new ATOM 0 HG23 ILE A 53 -15.277 -3.824 2.939 1.00 0.00 H new ATOM 0 HD11 ILE A 53 -12.221 -4.093 5.955 1.00 0.00 H new ATOM 0 HD12 ILE A 53 -12.100 -2.429 5.335 1.00 0.00 H new ATOM 0 HD13 ILE A 53 -13.698 -3.151 5.639 1.00 0.00 H new ATOM 805 N GLY A 54 -14.726 -2.488 -0.161 1.00 0.00 N ATOM 806 CA GLY A 54 -15.422 -1.537 -1.033 1.00 0.00 C ATOM 807 C GLY A 54 -14.864 -1.535 -2.457 1.00 0.00 C ATOM 808 O GLY A 54 -15.102 -0.586 -3.205 1.00 0.00 O ATOM 0 H GLY A 54 -15.095 -3.439 -0.188 1.00 0.00 H new ATOM 0 HA2 GLY A 54 -16.483 -1.784 -1.062 1.00 0.00 H new ATOM 0 HA3 GLY A 54 -15.340 -0.535 -0.612 1.00 0.00 H new ATOM 812 N ALA A 55 -14.107 -2.574 -2.831 1.00 0.00 N ATOM 813 CA ALA A 55 -13.514 -2.635 -4.178 1.00 0.00 C ATOM 814 C ALA A 55 -13.919 -3.904 -4.926 1.00 0.00 C ATOM 815 O ALA A 55 -14.327 -4.903 -4.336 1.00 0.00 O ATOM 816 CB ALA A 55 -11.986 -2.561 -4.075 1.00 0.00 C ATOM 0 H ALA A 55 -13.892 -3.372 -2.234 1.00 0.00 H new ATOM 0 HA ALA A 55 -13.892 -1.783 -4.744 1.00 0.00 H new ATOM 0 HB1 ALA A 55 -11.551 -2.606 -5.074 1.00 0.00 H new ATOM 0 HB2 ALA A 55 -11.699 -1.625 -3.596 1.00 0.00 H new ATOM 0 HB3 ALA A 55 -11.620 -3.399 -3.482 1.00 0.00 H new ATOM 822 N THR A 56 -13.747 -3.837 -6.246 1.00 0.00 N ATOM 823 CA THR A 56 -14.017 -4.934 -7.171 1.00 0.00 C ATOM 824 C THR A 56 -12.768 -5.783 -7.352 1.00 0.00 C ATOM 825 O THR A 56 -11.654 -5.344 -7.069 1.00 0.00 O ATOM 826 CB THR A 56 -14.395 -4.350 -8.535 1.00 0.00 C ATOM 827 OG1 THR A 56 -13.278 -3.662 -9.079 1.00 0.00 O ATOM 828 CG2 THR A 56 -15.566 -3.379 -8.373 1.00 0.00 C ATOM 0 H THR A 56 -13.407 -2.996 -6.712 1.00 0.00 H new ATOM 0 HA THR A 56 -14.825 -5.546 -6.770 1.00 0.00 H new ATOM 0 HB THR A 56 -14.688 -5.157 -9.206 1.00 0.00 H new ATOM 0 HG1 THR A 56 -13.344 -2.708 -8.863 1.00 0.00 H new ATOM 0 HG21 THR A 56 -15.833 -2.965 -9.345 1.00 0.00 H new ATOM 0 HG22 THR A 56 -16.423 -3.909 -7.957 1.00 0.00 H new ATOM 0 HG23 THR A 56 -15.278 -2.570 -7.701 1.00 0.00 H new ATOM 836 N LYS A 57 -12.975 -7.025 -7.788 1.00 0.00 N ATOM 837 CA LYS A 57 -11.880 -7.969 -7.963 1.00 0.00 C ATOM 838 C LYS A 57 -10.809 -7.434 -8.920 1.00 0.00 C ATOM 839 O LYS A 57 -9.618 -7.611 -8.666 1.00 0.00 O ATOM 840 CB LYS A 57 -12.420 -9.297 -8.526 1.00 0.00 C ATOM 841 CG LYS A 57 -13.456 -9.935 -7.579 1.00 0.00 C ATOM 842 CD LYS A 57 -13.952 -11.248 -8.193 1.00 0.00 C ATOM 843 CE LYS A 57 -14.987 -11.893 -7.269 1.00 0.00 C ATOM 844 NZ LYS A 57 -15.595 -13.072 -7.951 1.00 0.00 N ATOM 0 H LYS A 57 -13.894 -7.398 -8.026 1.00 0.00 H new ATOM 0 HA LYS A 57 -11.426 -8.121 -6.984 1.00 0.00 H new ATOM 0 HB2 LYS A 57 -12.876 -9.121 -9.500 1.00 0.00 H new ATOM 0 HB3 LYS A 57 -11.593 -9.990 -8.682 1.00 0.00 H new ATOM 0 HG2 LYS A 57 -13.009 -10.121 -6.603 1.00 0.00 H new ATOM 0 HG3 LYS A 57 -14.292 -9.254 -7.422 1.00 0.00 H new ATOM 0 HD2 LYS A 57 -14.393 -11.059 -9.172 1.00 0.00 H new ATOM 0 HD3 LYS A 57 -13.114 -11.928 -8.346 1.00 0.00 H new ATOM 0 HE2 LYS A 57 -14.515 -12.202 -6.336 1.00 0.00 H new ATOM 0 HE3 LYS A 57 -15.761 -11.170 -7.011 1.00 0.00 H new ATOM 0 HZ1 LYS A 57 -16.299 -13.511 -7.324 1.00 0.00 H new ATOM 0 HZ2 LYS A 57 -16.059 -12.764 -8.829 1.00 0.00 H new ATOM 0 HZ3 LYS A 57 -14.852 -13.764 -8.176 1.00 0.00 H new ATOM 858 N GLU A 58 -11.208 -6.772 -10.002 1.00 0.00 N ATOM 859 CA GLU A 58 -10.234 -6.223 -10.946 1.00 0.00 C ATOM 860 C GLU A 58 -9.436 -5.088 -10.312 1.00 0.00 C ATOM 861 O GLU A 58 -8.227 -4.986 -10.521 1.00 0.00 O ATOM 862 CB GLU A 58 -10.956 -5.707 -12.194 1.00 0.00 C ATOM 863 CG GLU A 58 -9.928 -5.293 -13.247 1.00 0.00 C ATOM 864 CD GLU A 58 -10.638 -4.789 -14.500 1.00 0.00 C ATOM 865 OE1 GLU A 58 -11.856 -4.857 -14.535 1.00 0.00 O ATOM 866 OE2 GLU A 58 -9.953 -4.344 -15.407 1.00 0.00 O ATOM 0 H GLU A 58 -12.184 -6.603 -10.247 1.00 0.00 H new ATOM 0 HA GLU A 58 -9.542 -7.018 -11.223 1.00 0.00 H new ATOM 0 HB2 GLU A 58 -11.610 -6.482 -12.594 1.00 0.00 H new ATOM 0 HB3 GLU A 58 -11.589 -4.858 -11.935 1.00 0.00 H new ATOM 0 HG2 GLU A 58 -9.280 -4.513 -12.848 1.00 0.00 H new ATOM 0 HG3 GLU A 58 -9.290 -6.140 -13.497 1.00 0.00 H new ATOM 873 N ASP A 59 -10.108 -4.245 -9.516 1.00 0.00 N ATOM 874 CA ASP A 59 -9.425 -3.145 -8.846 1.00 0.00 C ATOM 875 C ASP A 59 -8.387 -3.716 -7.897 1.00 0.00 C ATOM 876 O ASP A 59 -7.254 -3.238 -7.817 1.00 0.00 O ATOM 877 CB ASP A 59 -10.426 -2.295 -8.061 1.00 0.00 C ATOM 878 CG ASP A 59 -11.318 -1.524 -9.026 1.00 0.00 C ATOM 879 OD1 ASP A 59 -10.901 -1.321 -10.155 1.00 0.00 O ATOM 880 OD2 ASP A 59 -12.407 -1.148 -8.625 1.00 0.00 O ATOM 0 H ASP A 59 -11.108 -4.306 -9.326 1.00 0.00 H new ATOM 0 HA ASP A 59 -8.943 -2.513 -9.592 1.00 0.00 H new ATOM 0 HB2 ASP A 59 -11.034 -2.933 -7.420 1.00 0.00 H new ATOM 0 HB3 ASP A 59 -9.895 -1.601 -7.409 1.00 0.00 H new ATOM 885 N LYS A 60 -8.801 -4.752 -7.184 1.00 0.00 N ATOM 886 CA LYS A 60 -7.923 -5.411 -6.233 1.00 0.00 C ATOM 887 C LYS A 60 -6.702 -5.996 -6.930 1.00 0.00 C ATOM 888 O LYS A 60 -5.593 -5.885 -6.409 1.00 0.00 O ATOM 889 CB LYS A 60 -8.678 -6.483 -5.440 1.00 0.00 C ATOM 890 CG LYS A 60 -7.752 -7.121 -4.397 1.00 0.00 C ATOM 891 CD LYS A 60 -8.527 -8.187 -3.620 1.00 0.00 C ATOM 892 CE LYS A 60 -7.597 -8.869 -2.615 1.00 0.00 C ATOM 893 NZ LYS A 60 -7.286 -7.924 -1.506 1.00 0.00 N ATOM 0 H LYS A 60 -9.737 -5.153 -7.246 1.00 0.00 H new ATOM 0 HA LYS A 60 -7.571 -4.661 -5.525 1.00 0.00 H new ATOM 0 HB2 LYS A 60 -9.542 -6.039 -4.946 1.00 0.00 H new ATOM 0 HB3 LYS A 60 -9.056 -7.248 -6.118 1.00 0.00 H new ATOM 0 HG2 LYS A 60 -6.887 -7.568 -4.887 1.00 0.00 H new ATOM 0 HG3 LYS A 60 -7.374 -6.360 -3.715 1.00 0.00 H new ATOM 0 HD2 LYS A 60 -9.369 -7.731 -3.100 1.00 0.00 H new ATOM 0 HD3 LYS A 60 -8.939 -8.925 -4.308 1.00 0.00 H new ATOM 0 HE2 LYS A 60 -8.069 -9.768 -2.219 1.00 0.00 H new ATOM 0 HE3 LYS A 60 -6.677 -9.182 -3.109 1.00 0.00 H new ATOM 0 HZ1 LYS A 60 -6.767 -8.426 -0.757 1.00 0.00 H new ATOM 0 HZ2 LYS A 60 -6.702 -7.144 -1.868 1.00 0.00 H new ATOM 0 HZ3 LYS A 60 -8.172 -7.542 -1.117 1.00 0.00 H new ATOM 907 N GLN A 61 -6.866 -6.584 -8.111 1.00 0.00 N ATOM 908 CA GLN A 61 -5.706 -7.114 -8.809 1.00 0.00 C ATOM 909 C GLN A 61 -4.794 -5.948 -9.170 1.00 0.00 C ATOM 910 O GLN A 61 -3.575 -6.043 -9.029 1.00 0.00 O ATOM 911 CB GLN A 61 -6.141 -7.866 -10.069 1.00 0.00 C ATOM 912 CG GLN A 61 -6.849 -9.160 -9.667 1.00 0.00 C ATOM 913 CD GLN A 61 -7.504 -9.798 -10.888 1.00 0.00 C ATOM 914 OE1 GLN A 61 -7.587 -9.175 -11.946 1.00 0.00 O ATOM 915 NE2 GLN A 61 -7.973 -11.013 -10.804 1.00 0.00 N ATOM 0 H GLN A 61 -7.759 -6.702 -8.589 1.00 0.00 H new ATOM 0 HA GLN A 61 -5.173 -7.818 -8.170 1.00 0.00 H new ATOM 0 HB2 GLN A 61 -6.808 -7.244 -10.666 1.00 0.00 H new ATOM 0 HB3 GLN A 61 -5.274 -8.090 -10.690 1.00 0.00 H new ATOM 0 HG2 GLN A 61 -6.134 -9.853 -9.224 1.00 0.00 H new ATOM 0 HG3 GLN A 61 -7.602 -8.951 -8.908 1.00 0.00 H new ATOM 0 HE21 GLN A 61 -7.903 -11.527 -9.926 1.00 0.00 H new ATOM 0 HE22 GLN A 61 -8.410 -11.448 -11.617 1.00 0.00 H new ATOM 924 N ARG A 62 -5.381 -4.835 -9.644 1.00 0.00 N ATOM 925 CA ARG A 62 -4.577 -3.679 -10.016 1.00 0.00 C ATOM 926 C ARG A 62 -3.802 -3.191 -8.796 1.00 0.00 C ATOM 927 O ARG A 62 -2.605 -2.914 -8.879 1.00 0.00 O ATOM 928 CB ARG A 62 -5.457 -2.553 -10.578 1.00 0.00 C ATOM 929 CG ARG A 62 -4.589 -1.344 -10.956 1.00 0.00 C ATOM 930 CD ARG A 62 -5.470 -0.226 -11.515 1.00 0.00 C ATOM 931 NE ARG A 62 -4.641 0.922 -11.868 1.00 0.00 N ATOM 932 CZ ARG A 62 -5.083 1.867 -12.690 1.00 0.00 C ATOM 933 NH1 ARG A 62 -6.202 2.487 -12.432 1.00 0.00 N ATOM 934 NH2 ARG A 62 -4.393 2.179 -13.752 1.00 0.00 N ATOM 0 H ARG A 62 -6.386 -4.721 -9.773 1.00 0.00 H new ATOM 0 HA ARG A 62 -3.877 -3.973 -10.798 1.00 0.00 H new ATOM 0 HB2 ARG A 62 -6.001 -2.908 -11.453 1.00 0.00 H new ATOM 0 HB3 ARG A 62 -6.201 -2.259 -9.838 1.00 0.00 H new ATOM 0 HG2 ARG A 62 -4.045 -0.988 -10.081 1.00 0.00 H new ATOM 0 HG3 ARG A 62 -3.844 -1.637 -11.696 1.00 0.00 H new ATOM 0 HD2 ARG A 62 -6.011 -0.580 -12.393 1.00 0.00 H new ATOM 0 HD3 ARG A 62 -6.217 0.066 -10.777 1.00 0.00 H new ATOM 0 HE ARG A 62 -3.703 1.000 -11.475 1.00 0.00 H new ATOM 0 HH11 ARG A 62 -6.738 2.246 -11.598 1.00 0.00 H new ATOM 0 HH12 ARG A 62 -6.540 3.213 -13.064 1.00 0.00 H new ATOM 0 HH21 ARG A 62 -3.516 1.698 -13.950 1.00 0.00 H new ATOM 0 HH22 ARG A 62 -4.731 2.904 -14.385 1.00 0.00 H new ATOM 948 N ILE A 63 -4.487 -3.092 -7.665 1.00 0.00 N ATOM 949 CA ILE A 63 -3.830 -2.639 -6.447 1.00 0.00 C ATOM 950 C ILE A 63 -2.683 -3.574 -6.076 1.00 0.00 C ATOM 951 O ILE A 63 -1.592 -3.112 -5.742 1.00 0.00 O ATOM 952 CB ILE A 63 -4.833 -2.484 -5.304 1.00 0.00 C ATOM 953 CG1 ILE A 63 -5.734 -1.275 -5.582 1.00 0.00 C ATOM 954 CG2 ILE A 63 -4.104 -2.274 -3.972 1.00 0.00 C ATOM 955 CD1 ILE A 63 -6.941 -1.301 -4.642 1.00 0.00 C ATOM 0 H ILE A 63 -5.477 -3.314 -7.565 1.00 0.00 H new ATOM 0 HA ILE A 63 -3.404 -1.653 -6.632 1.00 0.00 H new ATOM 0 HB ILE A 63 -5.432 -3.392 -5.238 1.00 0.00 H new ATOM 0 HG12 ILE A 63 -5.172 -0.351 -5.442 1.00 0.00 H new ATOM 0 HG13 ILE A 63 -6.069 -1.290 -6.619 1.00 0.00 H new ATOM 0 HG21 ILE A 63 -4.835 -2.166 -3.170 1.00 0.00 H new ATOM 0 HG22 ILE A 63 -3.465 -3.133 -3.767 1.00 0.00 H new ATOM 0 HG23 ILE A 63 -3.493 -1.373 -4.030 1.00 0.00 H new ATOM 0 HD11 ILE A 63 -7.578 -0.440 -4.844 1.00 0.00 H new ATOM 0 HD12 ILE A 63 -7.508 -2.218 -4.804 1.00 0.00 H new ATOM 0 HD13 ILE A 63 -6.598 -1.264 -3.608 1.00 0.00 H new ATOM 967 N SER A 64 -2.900 -4.874 -6.176 1.00 0.00 N ATOM 968 CA SER A 64 -1.820 -5.806 -5.885 1.00 0.00 C ATOM 969 C SER A 64 -0.678 -5.515 -6.852 1.00 0.00 C ATOM 970 O SER A 64 0.477 -5.471 -6.434 1.00 0.00 O ATOM 971 CB SER A 64 -2.303 -7.248 -6.047 1.00 0.00 C ATOM 972 OG SER A 64 -1.233 -8.137 -5.758 1.00 0.00 O ATOM 0 H SER A 64 -3.786 -5.301 -6.448 1.00 0.00 H new ATOM 0 HA SER A 64 -1.482 -5.684 -4.856 1.00 0.00 H new ATOM 0 HB2 SER A 64 -3.141 -7.440 -5.378 1.00 0.00 H new ATOM 0 HB3 SER A 64 -2.662 -7.411 -7.063 1.00 0.00 H new ATOM 0 HG SER A 64 -1.540 -9.062 -5.860 1.00 0.00 H new ATOM 978 N GLU A 65 -0.970 -5.306 -8.148 1.00 0.00 N ATOM 979 CA GLU A 65 0.094 -5.025 -9.107 1.00 0.00 C ATOM 980 C GLU A 65 0.832 -3.751 -8.686 1.00 0.00 C ATOM 981 O GLU A 65 2.059 -3.694 -8.738 1.00 0.00 O ATOM 982 CB GLU A 65 -0.475 -4.891 -10.522 1.00 0.00 C ATOM 983 CG GLU A 65 -0.943 -6.265 -11.010 1.00 0.00 C ATOM 984 CD GLU A 65 -1.520 -6.155 -12.418 1.00 0.00 C ATOM 985 OE1 GLU A 65 -1.710 -5.040 -12.875 1.00 0.00 O ATOM 986 OE2 GLU A 65 -1.769 -7.189 -13.017 1.00 0.00 O ATOM 0 H GLU A 65 -1.911 -5.327 -8.541 1.00 0.00 H new ATOM 0 HA GLU A 65 0.800 -5.855 -9.116 1.00 0.00 H new ATOM 0 HB2 GLU A 65 -1.308 -4.187 -10.527 1.00 0.00 H new ATOM 0 HB3 GLU A 65 0.284 -4.492 -11.195 1.00 0.00 H new ATOM 0 HG2 GLU A 65 -0.107 -6.965 -11.005 1.00 0.00 H new ATOM 0 HG3 GLU A 65 -1.696 -6.663 -10.330 1.00 0.00 H new ATOM 993 N ILE A 66 0.082 -2.742 -8.256 1.00 0.00 N ATOM 994 CA ILE A 66 0.687 -1.485 -7.810 1.00 0.00 C ATOM 995 C ILE A 66 1.632 -1.714 -6.630 1.00 0.00 C ATOM 996 O ILE A 66 2.754 -1.209 -6.613 1.00 0.00 O ATOM 997 CB ILE A 66 -0.419 -0.492 -7.418 1.00 0.00 C ATOM 998 CG1 ILE A 66 -1.124 0.005 -8.690 1.00 0.00 C ATOM 999 CG2 ILE A 66 0.188 0.696 -6.661 1.00 0.00 C ATOM 1000 CD1 ILE A 66 -2.369 0.821 -8.323 1.00 0.00 C ATOM 0 H ILE A 66 -0.936 -2.765 -8.206 1.00 0.00 H new ATOM 0 HA ILE A 66 1.273 -1.073 -8.632 1.00 0.00 H new ATOM 0 HB ILE A 66 -1.141 -0.989 -6.770 1.00 0.00 H new ATOM 0 HG12 ILE A 66 -0.440 0.617 -9.278 1.00 0.00 H new ATOM 0 HG13 ILE A 66 -1.407 -0.844 -9.312 1.00 0.00 H new ATOM 0 HG21 ILE A 66 -0.602 1.395 -6.387 1.00 0.00 H new ATOM 0 HG22 ILE A 66 0.684 0.338 -5.759 1.00 0.00 H new ATOM 0 HG23 ILE A 66 0.914 1.201 -7.298 1.00 0.00 H new ATOM 0 HD11 ILE A 66 -2.859 1.167 -9.233 1.00 0.00 H new ATOM 0 HD12 ILE A 66 -3.059 0.197 -7.755 1.00 0.00 H new ATOM 0 HD13 ILE A 66 -2.076 1.680 -7.720 1.00 0.00 H new ATOM 1012 N LEU A 67 1.169 -2.472 -5.651 1.00 0.00 N ATOM 1013 CA LEU A 67 1.986 -2.746 -4.490 1.00 0.00 C ATOM 1014 C LEU A 67 3.257 -3.446 -4.941 1.00 0.00 C ATOM 1015 O LEU A 67 4.346 -3.151 -4.448 1.00 0.00 O ATOM 1016 CB LEU A 67 1.212 -3.623 -3.486 1.00 0.00 C ATOM 1017 CG LEU A 67 2.138 -4.175 -2.374 1.00 0.00 C ATOM 1018 CD1 LEU A 67 2.618 -3.045 -1.438 1.00 0.00 C ATOM 1019 CD2 LEU A 67 1.354 -5.211 -1.558 1.00 0.00 C ATOM 0 H LEU A 67 0.244 -2.902 -5.639 1.00 0.00 H new ATOM 0 HA LEU A 67 2.243 -1.811 -3.991 1.00 0.00 H new ATOM 0 HB2 LEU A 67 0.410 -3.038 -3.035 1.00 0.00 H new ATOM 0 HB3 LEU A 67 0.743 -4.453 -4.014 1.00 0.00 H new ATOM 0 HG LEU A 67 3.015 -4.629 -2.836 1.00 0.00 H new ATOM 0 HD11 LEU A 67 3.266 -3.462 -0.667 1.00 0.00 H new ATOM 0 HD12 LEU A 67 3.171 -2.304 -2.016 1.00 0.00 H new ATOM 0 HD13 LEU A 67 1.756 -2.570 -0.969 1.00 0.00 H new ATOM 0 HD21 LEU A 67 1.991 -5.611 -0.769 1.00 0.00 H new ATOM 0 HD22 LEU A 67 0.479 -4.737 -1.112 1.00 0.00 H new ATOM 0 HD23 LEU A 67 1.033 -6.022 -2.212 1.00 0.00 H new ATOM 1031 N GLN A 68 3.122 -4.350 -5.900 1.00 0.00 N ATOM 1032 CA GLN A 68 4.284 -5.047 -6.422 1.00 0.00 C ATOM 1033 C GLN A 68 5.258 -4.065 -7.086 1.00 0.00 C ATOM 1034 O GLN A 68 6.445 -4.063 -6.761 1.00 0.00 O ATOM 1035 CB GLN A 68 3.860 -6.123 -7.423 1.00 0.00 C ATOM 1036 CG GLN A 68 3.157 -7.263 -6.684 1.00 0.00 C ATOM 1037 CD GLN A 68 2.688 -8.317 -7.682 1.00 0.00 C ATOM 1038 OE1 GLN A 68 3.506 -9.036 -8.256 1.00 0.00 O ATOM 1039 NE2 GLN A 68 1.413 -8.449 -7.925 1.00 0.00 N ATOM 0 H GLN A 68 2.234 -4.614 -6.326 1.00 0.00 H new ATOM 0 HA GLN A 68 4.793 -5.526 -5.585 1.00 0.00 H new ATOM 0 HB2 GLN A 68 3.193 -5.695 -8.171 1.00 0.00 H new ATOM 0 HB3 GLN A 68 4.732 -6.504 -7.954 1.00 0.00 H new ATOM 0 HG2 GLN A 68 3.837 -7.712 -5.960 1.00 0.00 H new ATOM 0 HG3 GLN A 68 2.306 -6.875 -6.124 1.00 0.00 H new ATOM 0 HE21 GLN A 68 0.738 -7.851 -7.447 1.00 0.00 H new ATOM 0 HE22 GLN A 68 1.091 -9.150 -8.593 1.00 0.00 H new ATOM 1048 N GLU A 69 4.778 -3.250 -8.031 1.00 0.00 N ATOM 1049 CA GLU A 69 5.660 -2.308 -8.728 1.00 0.00 C ATOM 1050 C GLU A 69 6.331 -1.308 -7.780 1.00 0.00 C ATOM 1051 O GLU A 69 7.530 -1.052 -7.899 1.00 0.00 O ATOM 1052 CB GLU A 69 4.879 -1.550 -9.804 1.00 0.00 C ATOM 1053 CG GLU A 69 4.469 -2.517 -10.919 1.00 0.00 C ATOM 1054 CD GLU A 69 3.690 -1.771 -11.998 1.00 0.00 C ATOM 1055 OE1 GLU A 69 3.196 -0.694 -11.707 1.00 0.00 O ATOM 1056 OE2 GLU A 69 3.599 -2.287 -13.099 1.00 0.00 O ATOM 0 H GLU A 69 3.802 -3.222 -8.327 1.00 0.00 H new ATOM 0 HA GLU A 69 6.451 -2.901 -9.187 1.00 0.00 H new ATOM 0 HB2 GLU A 69 3.994 -1.087 -9.367 1.00 0.00 H new ATOM 0 HB3 GLU A 69 5.491 -0.746 -10.213 1.00 0.00 H new ATOM 0 HG2 GLU A 69 5.355 -2.980 -11.353 1.00 0.00 H new ATOM 0 HG3 GLU A 69 3.858 -3.321 -10.508 1.00 0.00 H new ATOM 1063 N THR A 70 5.572 -0.746 -6.845 1.00 0.00 N ATOM 1064 CA THR A 70 6.132 0.219 -5.895 1.00 0.00 C ATOM 1065 C THR A 70 7.242 -0.429 -5.091 1.00 0.00 C ATOM 1066 O THR A 70 8.328 0.121 -4.918 1.00 0.00 O ATOM 1067 CB THR A 70 5.023 0.703 -4.964 1.00 0.00 C ATOM 1068 OG1 THR A 70 4.029 1.372 -5.727 1.00 0.00 O ATOM 1069 CG2 THR A 70 5.584 1.652 -3.898 1.00 0.00 C ATOM 0 H THR A 70 4.578 -0.937 -6.722 1.00 0.00 H new ATOM 0 HA THR A 70 6.548 1.068 -6.438 1.00 0.00 H new ATOM 0 HB THR A 70 4.585 -0.159 -4.460 1.00 0.00 H new ATOM 0 HG1 THR A 70 3.433 0.712 -6.138 1.00 0.00 H new ATOM 0 HG21 THR A 70 4.777 1.985 -3.246 1.00 0.00 H new ATOM 0 HG22 THR A 70 6.337 1.131 -3.307 1.00 0.00 H new ATOM 0 HG23 THR A 70 6.038 2.516 -4.383 1.00 0.00 H new ATOM 1077 N TRP A 71 6.923 -1.612 -4.600 1.00 0.00 N ATOM 1078 CA TRP A 71 7.837 -2.395 -3.796 1.00 0.00 C ATOM 1079 C TRP A 71 9.106 -2.674 -4.588 1.00 0.00 C ATOM 1080 O TRP A 71 10.204 -2.634 -4.032 1.00 0.00 O ATOM 1081 CB TRP A 71 7.081 -3.657 -3.376 1.00 0.00 C ATOM 1082 CG TRP A 71 7.837 -4.502 -2.387 1.00 0.00 C ATOM 1083 CD1 TRP A 71 7.989 -5.842 -2.505 1.00 0.00 C ATOM 1084 CD2 TRP A 71 8.496 -4.131 -1.122 1.00 0.00 C ATOM 1085 NE1 TRP A 71 8.725 -6.313 -1.437 1.00 0.00 N ATOM 1086 CE2 TRP A 71 9.061 -5.305 -0.558 1.00 0.00 C ATOM 1087 CE3 TRP A 71 8.679 -2.917 -0.415 1.00 0.00 C ATOM 1088 CZ2 TRP A 71 9.769 -5.280 0.642 1.00 0.00 C ATOM 1089 CZ3 TRP A 71 9.391 -2.897 0.796 1.00 0.00 C ATOM 1090 CH2 TRP A 71 9.936 -4.073 1.320 1.00 0.00 C ATOM 0 H TRP A 71 6.018 -2.057 -4.750 1.00 0.00 H new ATOM 0 HA TRP A 71 8.164 -1.871 -2.898 1.00 0.00 H new ATOM 0 HB2 TRP A 71 6.123 -3.371 -2.942 1.00 0.00 H new ATOM 0 HB3 TRP A 71 6.864 -4.254 -4.262 1.00 0.00 H new ATOM 0 HD1 TRP A 71 7.596 -6.447 -3.309 1.00 0.00 H new ATOM 0 HE1 TRP A 71 8.989 -7.290 -1.313 1.00 0.00 H new ATOM 0 HE3 TRP A 71 8.268 -2.000 -0.810 1.00 0.00 H new ATOM 0 HZ2 TRP A 71 10.186 -6.191 1.045 1.00 0.00 H new ATOM 0 HZ3 TRP A 71 9.518 -1.965 1.327 1.00 0.00 H new ATOM 0 HH2 TRP A 71 10.486 -4.047 2.249 1.00 0.00 H new ATOM 1101 N GLU A 72 8.970 -2.961 -5.871 1.00 0.00 N ATOM 1102 CA GLU A 72 10.124 -3.254 -6.719 1.00 0.00 C ATOM 1103 C GLU A 72 10.907 -1.989 -7.078 1.00 0.00 C ATOM 1104 O GLU A 72 12.051 -2.095 -7.522 1.00 0.00 O ATOM 1105 CB GLU A 72 9.669 -3.976 -7.988 1.00 0.00 C ATOM 1106 CG GLU A 72 9.200 -5.391 -7.632 1.00 0.00 C ATOM 1107 CD GLU A 72 10.391 -6.253 -7.224 1.00 0.00 C ATOM 1108 OE1 GLU A 72 11.503 -5.894 -7.573 1.00 0.00 O ATOM 1109 OE2 GLU A 72 10.172 -7.260 -6.572 1.00 0.00 O ATOM 0 H GLU A 72 8.072 -2.999 -6.354 1.00 0.00 H new ATOM 0 HA GLU A 72 10.795 -3.901 -6.154 1.00 0.00 H new ATOM 0 HB2 GLU A 72 8.860 -3.422 -8.464 1.00 0.00 H new ATOM 0 HB3 GLU A 72 10.488 -4.023 -8.706 1.00 0.00 H new ATOM 0 HG2 GLU A 72 8.477 -5.348 -6.818 1.00 0.00 H new ATOM 0 HG3 GLU A 72 8.693 -5.840 -8.486 1.00 0.00 H new ATOM 1116 N SER A 73 10.314 -0.789 -6.918 1.00 0.00 N ATOM 1117 CA SER A 73 11.027 0.453 -7.274 1.00 0.00 C ATOM 1118 C SER A 73 11.452 1.216 -6.026 1.00 0.00 C ATOM 1119 O SER A 73 11.620 2.435 -6.057 1.00 0.00 O ATOM 1120 CB SER A 73 10.128 1.342 -8.134 1.00 0.00 C ATOM 1121 OG SER A 73 8.947 1.654 -7.405 1.00 0.00 O ATOM 0 H SER A 73 9.370 -0.654 -6.555 1.00 0.00 H new ATOM 0 HA SER A 73 11.921 0.181 -7.836 1.00 0.00 H new ATOM 0 HB2 SER A 73 10.654 2.257 -8.407 1.00 0.00 H new ATOM 0 HB3 SER A 73 9.873 0.832 -9.063 1.00 0.00 H new ATOM 0 HG SER A 73 8.318 0.904 -7.464 1.00 0.00 H new ATOM 1127 N ALA A 74 11.563 0.498 -4.918 1.00 0.00 N ATOM 1128 CA ALA A 74 11.893 1.089 -3.630 1.00 0.00 C ATOM 1129 C ALA A 74 13.160 1.949 -3.600 1.00 0.00 C ATOM 1130 O ALA A 74 13.204 2.960 -2.917 1.00 0.00 O ATOM 1131 CB ALA A 74 12.061 -0.042 -2.614 1.00 0.00 C ATOM 0 H ALA A 74 11.427 -0.512 -4.887 1.00 0.00 H new ATOM 0 HA ALA A 74 11.071 1.765 -3.397 1.00 0.00 H new ATOM 0 HB1 ALA A 74 12.309 0.378 -1.639 1.00 0.00 H new ATOM 0 HB2 ALA A 74 11.131 -0.606 -2.540 1.00 0.00 H new ATOM 0 HB3 ALA A 74 12.863 -0.706 -2.938 1.00 0.00 H new ATOM 1137 N ASP A 75 14.188 1.551 -4.332 1.00 0.00 N ATOM 1138 CA ASP A 75 15.442 2.309 -4.339 1.00 0.00 C ATOM 1139 C ASP A 75 15.278 3.715 -4.930 1.00 0.00 C ATOM 1140 O ASP A 75 16.113 4.586 -4.686 1.00 0.00 O ATOM 1141 CB ASP A 75 16.499 1.546 -5.141 1.00 0.00 C ATOM 1142 CG ASP A 75 16.930 0.296 -4.382 1.00 0.00 C ATOM 1143 OD1 ASP A 75 16.908 0.330 -3.163 1.00 0.00 O ATOM 1144 OD2 ASP A 75 17.277 -0.678 -5.030 1.00 0.00 O ATOM 0 H ASP A 75 14.187 0.720 -4.923 1.00 0.00 H new ATOM 0 HA ASP A 75 15.754 2.423 -3.301 1.00 0.00 H new ATOM 0 HB2 ASP A 75 16.097 1.269 -6.116 1.00 0.00 H new ATOM 0 HB3 ASP A 75 17.362 2.187 -5.322 1.00 0.00 H new ATOM 1149 N ASP A 76 14.234 3.937 -5.722 1.00 0.00 N ATOM 1150 CA ASP A 76 14.022 5.247 -6.352 1.00 0.00 C ATOM 1151 C ASP A 76 13.135 6.177 -5.513 1.00 0.00 C ATOM 1152 O ASP A 76 13.447 7.360 -5.373 1.00 0.00 O ATOM 1153 CB ASP A 76 13.374 5.048 -7.722 1.00 0.00 C ATOM 1154 CG ASP A 76 14.367 4.404 -8.684 1.00 0.00 C ATOM 1155 OD1 ASP A 76 15.557 4.550 -8.463 1.00 0.00 O ATOM 1156 OD2 ASP A 76 13.921 3.768 -9.625 1.00 0.00 O ATOM 0 H ASP A 76 13.525 3.238 -5.945 1.00 0.00 H new ATOM 0 HA ASP A 76 14.999 5.721 -6.442 1.00 0.00 H new ATOM 0 HB2 ASP A 76 12.489 4.419 -7.626 1.00 0.00 H new ATOM 0 HB3 ASP A 76 13.042 6.007 -8.119 1.00 0.00 H new ATOM 1161 N TRP A 77 12.015 5.678 -5.002 1.00 0.00 N ATOM 1162 CA TRP A 77 11.093 6.535 -4.239 1.00 0.00 C ATOM 1163 C TRP A 77 11.366 6.565 -2.730 1.00 0.00 C ATOM 1164 O TRP A 77 10.960 7.512 -2.058 1.00 0.00 O ATOM 1165 CB TRP A 77 9.644 6.113 -4.497 1.00 0.00 C ATOM 1166 CG TRP A 77 9.309 4.854 -3.746 1.00 0.00 C ATOM 1167 CD1 TRP A 77 9.285 3.599 -4.279 1.00 0.00 C ATOM 1168 CD2 TRP A 77 8.937 4.698 -2.331 1.00 0.00 C ATOM 1169 NE1 TRP A 77 8.909 2.705 -3.301 1.00 0.00 N ATOM 1170 CE2 TRP A 77 8.686 3.324 -2.091 1.00 0.00 C ATOM 1171 CE3 TRP A 77 8.785 5.594 -1.236 1.00 0.00 C ATOM 1172 CZ2 TRP A 77 8.302 2.857 -0.839 1.00 0.00 C ATOM 1173 CZ3 TRP A 77 8.399 5.113 0.017 1.00 0.00 C ATOM 1174 CH2 TRP A 77 8.157 3.755 0.214 1.00 0.00 C ATOM 0 H TRP A 77 11.721 4.706 -5.095 1.00 0.00 H new ATOM 0 HA TRP A 77 11.265 7.550 -4.598 1.00 0.00 H new ATOM 0 HB2 TRP A 77 8.969 6.913 -4.193 1.00 0.00 H new ATOM 0 HB3 TRP A 77 9.492 5.956 -5.565 1.00 0.00 H new ATOM 0 HD1 TRP A 77 9.522 3.347 -5.302 1.00 0.00 H new ATOM 0 HE1 TRP A 77 8.808 1.702 -3.455 1.00 0.00 H new ATOM 0 HE3 TRP A 77 8.969 6.649 -1.374 1.00 0.00 H new ATOM 0 HZ2 TRP A 77 8.117 1.804 -0.685 1.00 0.00 H new ATOM 0 HZ3 TRP A 77 8.287 5.801 0.842 1.00 0.00 H new ATOM 0 HH2 TRP A 77 7.856 3.398 1.188 1.00 0.00 H new ATOM 1185 N PHE A 78 12.072 5.578 -2.193 1.00 0.00 N ATOM 1186 CA PHE A 78 12.375 5.594 -0.755 1.00 0.00 C ATOM 1187 C PHE A 78 13.647 6.387 -0.486 1.00 0.00 C ATOM 1188 O PHE A 78 14.682 6.163 -1.113 1.00 0.00 O ATOM 1189 CB PHE A 78 12.500 4.171 -0.198 1.00 0.00 C ATOM 1190 CG PHE A 78 13.057 4.225 1.210 1.00 0.00 C ATOM 1191 CD1 PHE A 78 12.195 4.368 2.306 1.00 0.00 C ATOM 1192 CD2 PHE A 78 14.446 4.165 1.416 1.00 0.00 C ATOM 1193 CE1 PHE A 78 12.720 4.440 3.601 1.00 0.00 C ATOM 1194 CE2 PHE A 78 14.965 4.238 2.711 1.00 0.00 C ATOM 1195 CZ PHE A 78 14.105 4.374 3.804 1.00 0.00 C ATOM 0 H PHE A 78 12.439 4.777 -2.706 1.00 0.00 H new ATOM 0 HA PHE A 78 11.546 6.082 -0.243 1.00 0.00 H new ATOM 0 HB2 PHE A 78 11.525 3.683 -0.196 1.00 0.00 H new ATOM 0 HB3 PHE A 78 13.153 3.576 -0.836 1.00 0.00 H new ATOM 0 HD1 PHE A 78 11.128 4.423 2.151 1.00 0.00 H new ATOM 0 HD2 PHE A 78 15.113 4.062 0.573 1.00 0.00 H new ATOM 0 HE1 PHE A 78 12.056 4.547 4.446 1.00 0.00 H new ATOM 0 HE2 PHE A 78 16.032 4.189 2.868 1.00 0.00 H new ATOM 0 HZ PHE A 78 14.508 4.428 4.805 1.00 0.00 H new ATOM 1205 N VAL A 79 13.541 7.337 0.443 1.00 0.00 N ATOM 1206 CA VAL A 79 14.651 8.213 0.812 1.00 0.00 C ATOM 1207 C VAL A 79 14.916 8.079 2.312 1.00 0.00 C ATOM 1208 O VAL A 79 13.993 7.783 3.071 1.00 0.00 O ATOM 1209 CB VAL A 79 14.264 9.668 0.470 1.00 0.00 C ATOM 1210 CG1 VAL A 79 15.521 10.504 0.196 1.00 0.00 C ATOM 1211 CG2 VAL A 79 13.361 9.677 -0.775 1.00 0.00 C ATOM 0 H VAL A 79 12.682 7.520 0.961 1.00 0.00 H new ATOM 0 HA VAL A 79 15.553 7.938 0.266 1.00 0.00 H new ATOM 0 HB VAL A 79 13.731 10.101 1.317 1.00 0.00 H new ATOM 0 HG11 VAL A 79 15.232 11.527 -0.044 1.00 0.00 H new ATOM 0 HG12 VAL A 79 16.158 10.504 1.081 1.00 0.00 H new ATOM 0 HG13 VAL A 79 16.067 10.075 -0.644 1.00 0.00 H new ATOM 0 HG21 VAL A 79 13.087 10.704 -1.018 1.00 0.00 H new ATOM 0 HG22 VAL A 79 13.896 9.236 -1.616 1.00 0.00 H new ATOM 0 HG23 VAL A 79 12.459 9.098 -0.575 1.00 0.00 H new