USER MOD reduce.3.24.130724 H: found=0, std=0, add=511, rem=0, adj=19 USER MOD reduce.3.24.130724 removed 509 hydrogens (0 hets) USER MOD ----------------------------------------------------------------- USER MOD scores for adjustable sidechains, with "set" totals for H,N and Q USER MOD "o" means original, "f" means flipped, "180deg" is methyl default USER MOD "!" flags a clash with an overlap of 0.40A or greater USER MOD flip categories: "K"=keep, "C"=clashes, "X"=uncertain, "F"=flip USER MOD Single : A 1 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 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 10 THR OG1 : rot 180:sc= 0 USER MOD Single : A 13 GLN : amide:sc= -0.0842 K(o=-0.084,f=-1.6!) USER MOD Single : A 16 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 22 SER OG : rot 180:sc= 0 USER MOD Single : A 24 SER OG : rot 180:sc= -0.36 USER MOD Single : A 26 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 29 THR OG1 : rot 180:sc= 0 USER MOD Single : A 32 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 37 TYR OH : rot 180:sc= 0 USER MOD Single : A 41 SER OG : rot 180:sc= 0 USER MOD Single : A 44 ASN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 45 SER OG : rot 180:sc= 0 USER MOD Single : A 48 TYR OH : rot -27:sc= 0.126 USER MOD Single : A 49 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 50 TYR OH : rot 30:sc= -0.0769 USER MOD Single : A 51 TYR OH : rot 180:sc= 0.581 USER MOD Single : A 52 LYS NZ :NH3+ -123:sc= 0 (180deg=-0.0343) USER MOD Single : A 54 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 58 MET CE :methyl 178:sc= -0.889 (180deg=-0.923) USER MOD Single : A 59 GLN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 61 SER OG : rot 180:sc= 0 USER MOD Single : A 64 SER OG : rot 180:sc= 0 USER MOD Single : A 65 SER OG : rot 180:sc= 0 USER MOD ----------------------------------------------------------------- ATOM 1 N GLY A 1 -7.779 -1.929 20.205 1.00 0.00 N ATOM 2 CA GLY A 1 -6.841 -3.034 20.291 1.00 0.00 C ATOM 3 C GLY A 1 -7.162 -3.979 21.432 1.00 0.00 C ATOM 4 O GLY A 1 -6.303 -4.275 22.262 1.00 0.00 O ATOM 0 H1 GLY A 1 -7.517 -1.312 19.410 1.00 0.00 H new ATOM 0 H2 GLY A 1 -8.739 -2.299 20.054 1.00 0.00 H new ATOM 0 H3 GLY A 1 -7.754 -1.383 21.090 1.00 0.00 H new ATOM 0 HA2 GLY A 1 -6.849 -3.587 19.352 1.00 0.00 H new ATOM 0 HA3 GLY A 1 -5.833 -2.641 20.421 1.00 0.00 H new ATOM 8 N SER A 2 -8.403 -4.454 21.474 1.00 0.00 N ATOM 9 CA SER A 2 -8.837 -5.366 22.525 1.00 0.00 C ATOM 10 C SER A 2 -9.360 -6.670 21.929 1.00 0.00 C ATOM 11 O SER A 2 -8.945 -7.758 22.327 1.00 0.00 O ATOM 12 CB SER A 2 -9.922 -4.712 23.383 1.00 0.00 C ATOM 13 OG SER A 2 -9.750 -5.032 24.753 1.00 0.00 O ATOM 0 H SER A 2 -9.125 -4.222 20.792 1.00 0.00 H new ATOM 0 HA SER A 2 -7.976 -5.593 23.154 1.00 0.00 H new ATOM 0 HB2 SER A 2 -9.891 -3.630 23.252 1.00 0.00 H new ATOM 0 HB3 SER A 2 -10.905 -5.045 23.049 1.00 0.00 H new ATOM 0 HG SER A 2 -10.454 -4.601 25.281 1.00 0.00 H new ATOM 19 N SER A 3 -10.276 -6.551 20.973 1.00 0.00 N ATOM 20 CA SER A 3 -10.860 -7.719 20.325 1.00 0.00 C ATOM 21 C SER A 3 -10.458 -7.782 18.855 1.00 0.00 C ATOM 22 O SER A 3 -10.183 -6.758 18.230 1.00 0.00 O ATOM 23 CB SER A 3 -12.385 -7.686 20.446 1.00 0.00 C ATOM 24 OG SER A 3 -12.871 -8.855 21.084 1.00 0.00 O ATOM 0 H SER A 3 -10.629 -5.658 20.630 1.00 0.00 H new ATOM 0 HA SER A 3 -10.481 -8.609 20.827 1.00 0.00 H new ATOM 0 HB2 SER A 3 -12.689 -6.806 21.012 1.00 0.00 H new ATOM 0 HB3 SER A 3 -12.830 -7.597 19.455 1.00 0.00 H new ATOM 0 HG SER A 3 -13.848 -8.809 21.151 1.00 0.00 H new ATOM 30 N GLY A 4 -10.425 -8.993 18.308 1.00 0.00 N ATOM 31 CA GLY A 4 -10.055 -9.170 16.916 1.00 0.00 C ATOM 32 C GLY A 4 -10.996 -8.449 15.971 1.00 0.00 C ATOM 33 O GLY A 4 -11.641 -7.473 16.351 1.00 0.00 O ATOM 0 H GLY A 4 -10.648 -9.856 18.805 1.00 0.00 H new ATOM 0 HA2 GLY A 4 -9.040 -8.803 16.763 1.00 0.00 H new ATOM 0 HA3 GLY A 4 -10.049 -10.233 16.677 1.00 0.00 H new ATOM 37 N SER A 5 -11.072 -8.931 14.733 1.00 0.00 N ATOM 38 CA SER A 5 -11.936 -8.322 13.728 1.00 0.00 C ATOM 39 C SER A 5 -12.577 -9.390 12.847 1.00 0.00 C ATOM 40 O SER A 5 -12.222 -10.566 12.918 1.00 0.00 O ATOM 41 CB SER A 5 -11.139 -7.343 12.865 1.00 0.00 C ATOM 42 OG SER A 5 -10.652 -6.260 13.641 1.00 0.00 O ATOM 0 H SER A 5 -10.546 -9.740 14.403 1.00 0.00 H new ATOM 0 HA SER A 5 -12.727 -7.778 14.244 1.00 0.00 H new ATOM 0 HB2 SER A 5 -10.304 -7.863 12.396 1.00 0.00 H new ATOM 0 HB3 SER A 5 -11.770 -6.964 12.061 1.00 0.00 H new ATOM 0 HG SER A 5 -10.144 -5.649 13.067 1.00 0.00 H new ATOM 48 N SER A 6 -13.525 -8.969 12.014 1.00 0.00 N ATOM 49 CA SER A 6 -14.219 -9.888 11.120 1.00 0.00 C ATOM 50 C SER A 6 -14.605 -9.193 9.818 1.00 0.00 C ATOM 51 O SER A 6 -15.627 -8.514 9.743 1.00 0.00 O ATOM 52 CB SER A 6 -15.469 -10.449 11.801 1.00 0.00 C ATOM 53 OG SER A 6 -16.020 -11.519 11.053 1.00 0.00 O ATOM 0 H SER A 6 -13.829 -7.998 11.940 1.00 0.00 H new ATOM 0 HA SER A 6 -13.541 -10.709 10.886 1.00 0.00 H new ATOM 0 HB2 SER A 6 -15.217 -10.794 12.804 1.00 0.00 H new ATOM 0 HB3 SER A 6 -16.212 -9.659 11.913 1.00 0.00 H new ATOM 0 HG SER A 6 -16.817 -11.861 11.510 1.00 0.00 H new ATOM 59 N GLY A 7 -13.775 -9.367 8.794 1.00 0.00 N ATOM 60 CA GLY A 7 -14.044 -8.749 7.508 1.00 0.00 C ATOM 61 C GLY A 7 -13.516 -7.331 7.423 1.00 0.00 C ATOM 62 O GLY A 7 -13.521 -6.599 8.414 1.00 0.00 O ATOM 0 H GLY A 7 -12.922 -9.924 8.832 1.00 0.00 H new ATOM 0 HA2 GLY A 7 -13.592 -9.349 6.719 1.00 0.00 H new ATOM 0 HA3 GLY A 7 -15.119 -8.744 7.329 1.00 0.00 H new ATOM 66 N VAL A 8 -13.058 -6.941 6.238 1.00 0.00 N ATOM 67 CA VAL A 8 -12.524 -5.601 6.028 1.00 0.00 C ATOM 68 C VAL A 8 -11.793 -5.101 7.269 1.00 0.00 C ATOM 69 O VAL A 8 -11.885 -3.927 7.625 1.00 0.00 O ATOM 70 CB VAL A 8 -13.639 -4.603 5.665 1.00 0.00 C ATOM 71 CG1 VAL A 8 -14.127 -4.841 4.244 1.00 0.00 C ATOM 72 CG2 VAL A 8 -14.788 -4.705 6.656 1.00 0.00 C ATOM 0 H VAL A 8 -13.046 -7.534 5.408 1.00 0.00 H new ATOM 0 HA VAL A 8 -11.821 -5.666 5.197 1.00 0.00 H new ATOM 0 HB VAL A 8 -13.231 -3.594 5.719 1.00 0.00 H new ATOM 0 HG11 VAL A 8 -14.915 -4.126 4.005 1.00 0.00 H new ATOM 0 HG12 VAL A 8 -13.298 -4.713 3.548 1.00 0.00 H new ATOM 0 HG13 VAL A 8 -14.519 -5.855 4.159 1.00 0.00 H new ATOM 0 HG21 VAL A 8 -15.567 -3.993 6.384 1.00 0.00 H new ATOM 0 HG22 VAL A 8 -15.197 -5.715 6.636 1.00 0.00 H new ATOM 0 HG23 VAL A 8 -14.425 -4.480 7.659 1.00 0.00 H new ATOM 82 N GLY A 9 -11.066 -6.000 7.923 1.00 0.00 N ATOM 83 CA GLY A 9 -10.328 -5.631 9.118 1.00 0.00 C ATOM 84 C GLY A 9 -8.936 -5.121 8.805 1.00 0.00 C ATOM 85 O GLY A 9 -8.430 -4.220 9.477 1.00 0.00 O ATOM 0 H GLY A 9 -10.974 -6.978 7.648 1.00 0.00 H new ATOM 0 HA2 GLY A 9 -10.880 -4.863 9.659 1.00 0.00 H new ATOM 0 HA3 GLY A 9 -10.255 -6.496 9.778 1.00 0.00 H new ATOM 89 N THR A 10 -8.312 -5.697 7.783 1.00 0.00 N ATOM 90 CA THR A 10 -6.968 -5.298 7.384 1.00 0.00 C ATOM 91 C THR A 10 -6.984 -3.950 6.672 1.00 0.00 C ATOM 92 O THR A 10 -6.112 -3.110 6.893 1.00 0.00 O ATOM 93 CB THR A 10 -6.321 -6.347 6.461 1.00 0.00 C ATOM 94 OG1 THR A 10 -6.305 -7.624 7.106 1.00 0.00 O ATOM 95 CG2 THR A 10 -4.902 -5.940 6.091 1.00 0.00 C ATOM 0 H THR A 10 -8.716 -6.442 7.216 1.00 0.00 H new ATOM 0 HA THR A 10 -6.378 -5.216 8.297 1.00 0.00 H new ATOM 0 HB THR A 10 -6.913 -6.411 5.548 1.00 0.00 H new ATOM 0 HG1 THR A 10 -5.894 -8.286 6.512 1.00 0.00 H new ATOM 0 HG21 THR A 10 -4.465 -6.696 5.439 1.00 0.00 H new ATOM 0 HG22 THR A 10 -4.922 -4.981 5.573 1.00 0.00 H new ATOM 0 HG23 THR A 10 -4.301 -5.851 6.996 1.00 0.00 H new ATOM 103 N ILE A 11 -7.980 -3.751 5.815 1.00 0.00 N ATOM 104 CA ILE A 11 -8.110 -2.504 5.071 1.00 0.00 C ATOM 105 C ILE A 11 -8.285 -1.317 6.014 1.00 0.00 C ATOM 106 O ILE A 11 -7.530 -0.347 5.952 1.00 0.00 O ATOM 107 CB ILE A 11 -9.302 -2.550 4.098 1.00 0.00 C ATOM 108 CG1 ILE A 11 -9.159 -3.734 3.139 1.00 0.00 C ATOM 109 CG2 ILE A 11 -9.405 -1.245 3.323 1.00 0.00 C ATOM 110 CD1 ILE A 11 -10.397 -4.600 3.058 1.00 0.00 C ATOM 0 H ILE A 11 -8.709 -4.437 5.619 1.00 0.00 H new ATOM 0 HA ILE A 11 -7.190 -2.380 4.500 1.00 0.00 H new ATOM 0 HB ILE A 11 -10.218 -2.681 4.675 1.00 0.00 H new ATOM 0 HG12 ILE A 11 -8.923 -3.358 2.143 1.00 0.00 H new ATOM 0 HG13 ILE A 11 -8.316 -4.348 3.456 1.00 0.00 H new ATOM 0 HG21 ILE A 11 -10.253 -1.294 2.639 1.00 0.00 H new ATOM 0 HG22 ILE A 11 -9.547 -0.419 4.019 1.00 0.00 H new ATOM 0 HG23 ILE A 11 -8.489 -1.086 2.754 1.00 0.00 H new ATOM 0 HD11 ILE A 11 -10.223 -5.419 2.360 1.00 0.00 H new ATOM 0 HD12 ILE A 11 -10.623 -5.006 4.044 1.00 0.00 H new ATOM 0 HD13 ILE A 11 -11.239 -4.000 2.711 1.00 0.00 H new ATOM 122 N ASP A 12 -9.282 -1.404 6.886 1.00 0.00 N ATOM 123 CA ASP A 12 -9.555 -0.338 7.844 1.00 0.00 C ATOM 124 C ASP A 12 -8.256 0.253 8.384 1.00 0.00 C ATOM 125 O ASP A 12 -8.171 1.452 8.647 1.00 0.00 O ATOM 126 CB ASP A 12 -10.407 -0.866 8.999 1.00 0.00 C ATOM 127 CG ASP A 12 -11.059 0.247 9.794 1.00 0.00 C ATOM 128 OD1 ASP A 12 -11.873 0.995 9.212 1.00 0.00 O ATOM 129 OD2 ASP A 12 -10.756 0.371 10.999 1.00 0.00 O ATOM 0 H ASP A 12 -9.915 -2.201 6.950 1.00 0.00 H new ATOM 0 HA ASP A 12 -10.105 0.449 7.327 1.00 0.00 H new ATOM 0 HB2 ASP A 12 -11.179 -1.527 8.605 1.00 0.00 H new ATOM 0 HB3 ASP A 12 -9.783 -1.465 9.662 1.00 0.00 H new ATOM 134 N GLN A 13 -7.248 -0.598 8.547 1.00 0.00 N ATOM 135 CA GLN A 13 -5.953 -0.161 9.057 1.00 0.00 C ATOM 136 C GLN A 13 -5.038 0.274 7.918 1.00 0.00 C ATOM 137 O GLN A 13 -4.398 1.324 7.987 1.00 0.00 O ATOM 138 CB GLN A 13 -5.292 -1.281 9.859 1.00 0.00 C ATOM 139 CG GLN A 13 -6.068 -1.678 11.105 1.00 0.00 C ATOM 140 CD GLN A 13 -5.807 -3.111 11.525 1.00 0.00 C ATOM 141 OE1 GLN A 13 -4.971 -3.799 10.939 1.00 0.00 O ATOM 142 NE2 GLN A 13 -6.523 -3.569 12.544 1.00 0.00 N ATOM 0 H GLN A 13 -7.303 -1.594 8.333 1.00 0.00 H new ATOM 0 HA GLN A 13 -6.119 0.694 9.712 1.00 0.00 H new ATOM 0 HB2 GLN A 13 -5.177 -2.156 9.219 1.00 0.00 H new ATOM 0 HB3 GLN A 13 -4.290 -0.965 10.150 1.00 0.00 H new ATOM 0 HG2 GLN A 13 -5.800 -1.009 11.923 1.00 0.00 H new ATOM 0 HG3 GLN A 13 -7.134 -1.546 10.921 1.00 0.00 H new ATOM 0 HE21 GLN A 13 -7.205 -2.964 13.001 1.00 0.00 H new ATOM 0 HE22 GLN A 13 -6.391 -4.526 12.871 1.00 0.00 H new ATOM 151 N LEU A 14 -4.980 -0.539 6.869 1.00 0.00 N ATOM 152 CA LEU A 14 -4.141 -0.239 5.713 1.00 0.00 C ATOM 153 C LEU A 14 -4.418 1.167 5.191 1.00 0.00 C ATOM 154 O LEU A 14 -3.522 2.010 5.145 1.00 0.00 O ATOM 155 CB LEU A 14 -4.382 -1.265 4.604 1.00 0.00 C ATOM 156 CG LEU A 14 -3.702 -0.977 3.265 1.00 0.00 C ATOM 157 CD1 LEU A 14 -2.191 -0.930 3.433 1.00 0.00 C ATOM 158 CD2 LEU A 14 -4.093 -2.024 2.232 1.00 0.00 C ATOM 0 H LEU A 14 -5.504 -1.411 6.795 1.00 0.00 H new ATOM 0 HA LEU A 14 -3.098 -0.291 6.027 1.00 0.00 H new ATOM 0 HB2 LEU A 14 -4.045 -2.239 4.958 1.00 0.00 H new ATOM 0 HB3 LEU A 14 -5.456 -1.342 4.434 1.00 0.00 H new ATOM 0 HG LEU A 14 -4.038 -0.003 2.911 1.00 0.00 H new ATOM 0 HD11 LEU A 14 -1.724 -0.724 2.470 1.00 0.00 H new ATOM 0 HD12 LEU A 14 -1.928 -0.143 4.140 1.00 0.00 H new ATOM 0 HD13 LEU A 14 -1.837 -1.889 3.810 1.00 0.00 H new ATOM 0 HD21 LEU A 14 -3.600 -1.803 1.285 1.00 0.00 H new ATOM 0 HD22 LEU A 14 -3.786 -3.010 2.580 1.00 0.00 H new ATOM 0 HD23 LEU A 14 -5.174 -2.009 2.090 1.00 0.00 H new ATOM 170 N VAL A 15 -5.663 1.413 4.799 1.00 0.00 N ATOM 171 CA VAL A 15 -6.058 2.717 4.283 1.00 0.00 C ATOM 172 C VAL A 15 -5.547 3.841 5.178 1.00 0.00 C ATOM 173 O VAL A 15 -5.000 4.833 4.697 1.00 0.00 O ATOM 174 CB VAL A 15 -7.589 2.832 4.158 1.00 0.00 C ATOM 175 CG1 VAL A 15 -8.007 4.288 4.017 1.00 0.00 C ATOM 176 CG2 VAL A 15 -8.090 2.009 2.981 1.00 0.00 C ATOM 0 H VAL A 15 -6.416 0.726 4.829 1.00 0.00 H new ATOM 0 HA VAL A 15 -5.612 2.813 3.293 1.00 0.00 H new ATOM 0 HB VAL A 15 -8.041 2.437 5.068 1.00 0.00 H new ATOM 0 HG11 VAL A 15 -9.092 4.348 3.930 1.00 0.00 H new ATOM 0 HG12 VAL A 15 -7.682 4.847 4.895 1.00 0.00 H new ATOM 0 HG13 VAL A 15 -7.547 4.714 3.125 1.00 0.00 H new ATOM 0 HG21 VAL A 15 -9.174 2.102 2.907 1.00 0.00 H new ATOM 0 HG22 VAL A 15 -7.631 2.372 2.061 1.00 0.00 H new ATOM 0 HG23 VAL A 15 -7.825 0.962 3.130 1.00 0.00 H new ATOM 186 N LYS A 16 -5.729 3.677 6.484 1.00 0.00 N ATOM 187 CA LYS A 16 -5.285 4.677 7.449 1.00 0.00 C ATOM 188 C LYS A 16 -3.808 5.003 7.254 1.00 0.00 C ATOM 189 O LYS A 16 -3.367 6.118 7.532 1.00 0.00 O ATOM 190 CB LYS A 16 -5.523 4.177 8.876 1.00 0.00 C ATOM 191 CG LYS A 16 -4.250 3.764 9.597 1.00 0.00 C ATOM 192 CD LYS A 16 -4.555 2.963 10.851 1.00 0.00 C ATOM 193 CE LYS A 16 -3.828 3.526 12.062 1.00 0.00 C ATOM 194 NZ LYS A 16 -4.455 3.084 13.339 1.00 0.00 N ATOM 0 H LYS A 16 -6.181 2.862 6.899 1.00 0.00 H new ATOM 0 HA LYS A 16 -5.864 5.586 7.286 1.00 0.00 H new ATOM 0 HB2 LYS A 16 -6.017 4.962 9.449 1.00 0.00 H new ATOM 0 HB3 LYS A 16 -6.205 3.327 8.845 1.00 0.00 H new ATOM 0 HG2 LYS A 16 -3.628 3.170 8.927 1.00 0.00 H new ATOM 0 HG3 LYS A 16 -3.676 4.652 9.862 1.00 0.00 H new ATOM 0 HD2 LYS A 16 -5.629 2.968 11.035 1.00 0.00 H new ATOM 0 HD3 LYS A 16 -4.263 1.924 10.700 1.00 0.00 H new ATOM 0 HE2 LYS A 16 -2.786 3.208 12.040 1.00 0.00 H new ATOM 0 HE3 LYS A 16 -3.831 4.615 12.014 1.00 0.00 H new ATOM 0 HZ1 LYS A 16 -3.931 3.488 14.141 1.00 0.00 H new ATOM 0 HZ2 LYS A 16 -5.443 3.409 13.371 1.00 0.00 H new ATOM 0 HZ3 LYS A 16 -4.430 2.046 13.397 1.00 0.00 H new ATOM 208 N ARG A 17 -3.049 4.024 6.772 1.00 0.00 N ATOM 209 CA ARG A 17 -1.622 4.209 6.539 1.00 0.00 C ATOM 210 C ARG A 17 -1.379 5.204 5.408 1.00 0.00 C ATOM 211 O ARG A 17 -0.938 6.329 5.641 1.00 0.00 O ATOM 212 CB ARG A 17 -0.960 2.870 6.204 1.00 0.00 C ATOM 213 CG ARG A 17 -1.309 1.758 7.181 1.00 0.00 C ATOM 214 CD ARG A 17 -0.364 0.575 7.037 1.00 0.00 C ATOM 215 NE ARG A 17 -0.361 -0.271 8.228 1.00 0.00 N ATOM 216 CZ ARG A 17 0.394 -1.356 8.356 1.00 0.00 C ATOM 217 NH1 ARG A 17 1.203 -1.726 7.373 1.00 0.00 N ATOM 218 NH2 ARG A 17 0.343 -2.073 9.472 1.00 0.00 N ATOM 0 H ARG A 17 -3.398 3.095 6.535 1.00 0.00 H new ATOM 0 HA ARG A 17 -1.180 4.608 7.452 1.00 0.00 H new ATOM 0 HB2 ARG A 17 -1.258 2.568 5.200 1.00 0.00 H new ATOM 0 HB3 ARG A 17 0.122 3.003 6.189 1.00 0.00 H new ATOM 0 HG2 ARG A 17 -1.263 2.140 8.201 1.00 0.00 H new ATOM 0 HG3 ARG A 17 -2.334 1.430 7.010 1.00 0.00 H new ATOM 0 HD2 ARG A 17 -0.656 -0.019 6.171 1.00 0.00 H new ATOM 0 HD3 ARG A 17 0.646 0.939 6.848 1.00 0.00 H new ATOM 0 HE ARG A 17 -0.972 -0.014 9.003 1.00 0.00 H new ATOM 0 HH11 ARG A 17 1.247 -1.177 6.515 1.00 0.00 H new ATOM 0 HH12 ARG A 17 1.781 -2.560 7.475 1.00 0.00 H new ATOM 0 HH21 ARG A 17 -0.276 -1.791 10.232 1.00 0.00 H new ATOM 0 HH22 ARG A 17 0.923 -2.906 9.570 1.00 0.00 H new ATOM 232 N VAL A 18 -1.671 4.781 4.182 1.00 0.00 N ATOM 233 CA VAL A 18 -1.485 5.635 3.014 1.00 0.00 C ATOM 234 C VAL A 18 -2.034 7.035 3.265 1.00 0.00 C ATOM 235 O VAL A 18 -1.651 7.991 2.592 1.00 0.00 O ATOM 236 CB VAL A 18 -2.173 5.041 1.770 1.00 0.00 C ATOM 237 CG1 VAL A 18 -1.744 3.598 1.560 1.00 0.00 C ATOM 238 CG2 VAL A 18 -3.686 5.143 1.899 1.00 0.00 C ATOM 0 H VAL A 18 -2.037 3.853 3.972 1.00 0.00 H new ATOM 0 HA VAL A 18 -0.412 5.696 2.833 1.00 0.00 H new ATOM 0 HB VAL A 18 -1.866 5.616 0.897 1.00 0.00 H new ATOM 0 HG11 VAL A 18 -2.240 3.196 0.677 1.00 0.00 H new ATOM 0 HG12 VAL A 18 -0.664 3.556 1.420 1.00 0.00 H new ATOM 0 HG13 VAL A 18 -2.020 3.006 2.433 1.00 0.00 H new ATOM 0 HG21 VAL A 18 -4.156 4.719 1.012 1.00 0.00 H new ATOM 0 HG22 VAL A 18 -4.014 4.593 2.781 1.00 0.00 H new ATOM 0 HG23 VAL A 18 -3.973 6.190 1.996 1.00 0.00 H new ATOM 248 N ILE A 19 -2.931 7.148 4.239 1.00 0.00 N ATOM 249 CA ILE A 19 -3.530 8.431 4.580 1.00 0.00 C ATOM 250 C ILE A 19 -2.584 9.271 5.432 1.00 0.00 C ATOM 251 O ILE A 19 -2.332 10.437 5.130 1.00 0.00 O ATOM 252 CB ILE A 19 -4.859 8.250 5.336 1.00 0.00 C ATOM 253 CG1 ILE A 19 -5.895 7.571 4.437 1.00 0.00 C ATOM 254 CG2 ILE A 19 -5.376 9.593 5.830 1.00 0.00 C ATOM 255 CD1 ILE A 19 -6.649 8.537 3.551 1.00 0.00 C ATOM 0 H ILE A 19 -3.259 6.366 4.806 1.00 0.00 H new ATOM 0 HA ILE A 19 -3.724 8.947 3.640 1.00 0.00 H new ATOM 0 HB ILE A 19 -4.683 7.611 6.201 1.00 0.00 H new ATOM 0 HG12 ILE A 19 -5.394 6.832 3.812 1.00 0.00 H new ATOM 0 HG13 ILE A 19 -6.607 7.030 5.060 1.00 0.00 H new ATOM 0 HG21 ILE A 19 -6.316 9.448 6.362 1.00 0.00 H new ATOM 0 HG22 ILE A 19 -4.644 10.040 6.502 1.00 0.00 H new ATOM 0 HG23 ILE A 19 -5.539 10.255 4.980 1.00 0.00 H new ATOM 0 HD11 ILE A 19 -7.366 7.988 2.941 1.00 0.00 H new ATOM 0 HD12 ILE A 19 -7.179 9.261 4.170 1.00 0.00 H new ATOM 0 HD13 ILE A 19 -5.946 9.060 2.902 1.00 0.00 H new ATOM 267 N GLU A 20 -2.061 8.668 6.495 1.00 0.00 N ATOM 268 CA GLU A 20 -1.142 9.361 7.390 1.00 0.00 C ATOM 269 C GLU A 20 0.291 9.270 6.873 1.00 0.00 C ATOM 270 O GLU A 20 1.196 9.914 7.403 1.00 0.00 O ATOM 271 CB GLU A 20 -1.226 8.772 8.799 1.00 0.00 C ATOM 272 CG GLU A 20 -2.611 8.268 9.166 1.00 0.00 C ATOM 273 CD GLU A 20 -3.132 8.876 10.454 1.00 0.00 C ATOM 274 OE1 GLU A 20 -2.694 9.993 10.800 1.00 0.00 O ATOM 275 OE2 GLU A 20 -3.977 8.238 11.113 1.00 0.00 O ATOM 0 H GLU A 20 -2.258 7.702 6.757 1.00 0.00 H new ATOM 0 HA GLU A 20 -1.432 10.411 7.426 1.00 0.00 H new ATOM 0 HB2 GLU A 20 -0.515 7.950 8.883 1.00 0.00 H new ATOM 0 HB3 GLU A 20 -0.922 9.531 9.520 1.00 0.00 H new ATOM 0 HG2 GLU A 20 -3.303 8.496 8.355 1.00 0.00 H new ATOM 0 HG3 GLU A 20 -2.584 7.183 9.266 1.00 0.00 H new ATOM 282 N GLY A 21 0.490 8.463 5.835 1.00 0.00 N ATOM 283 CA GLY A 21 1.815 8.301 5.265 1.00 0.00 C ATOM 284 C GLY A 21 2.699 7.394 6.098 1.00 0.00 C ATOM 285 O GLY A 21 3.828 7.091 5.714 1.00 0.00 O ATOM 0 H GLY A 21 -0.242 7.919 5.379 1.00 0.00 H new ATOM 0 HA2 GLY A 21 1.726 7.892 4.259 1.00 0.00 H new ATOM 0 HA3 GLY A 21 2.289 9.278 5.171 1.00 0.00 H new ATOM 289 N SER A 22 2.183 6.959 7.244 1.00 0.00 N ATOM 290 CA SER A 22 2.935 6.085 8.137 1.00 0.00 C ATOM 291 C SER A 22 3.698 5.027 7.346 1.00 0.00 C ATOM 292 O SER A 22 4.716 4.505 7.805 1.00 0.00 O ATOM 293 CB SER A 22 1.994 5.411 9.137 1.00 0.00 C ATOM 294 OG SER A 22 2.666 4.401 9.869 1.00 0.00 O ATOM 0 H SER A 22 1.248 7.197 7.575 1.00 0.00 H new ATOM 0 HA SER A 22 3.655 6.696 8.682 1.00 0.00 H new ATOM 0 HB2 SER A 22 1.594 6.157 9.824 1.00 0.00 H new ATOM 0 HB3 SER A 22 1.146 4.977 8.607 1.00 0.00 H new ATOM 0 HG SER A 22 2.043 3.987 10.502 1.00 0.00 H new ATOM 300 N LEU A 23 3.199 4.713 6.155 1.00 0.00 N ATOM 301 CA LEU A 23 3.833 3.717 5.299 1.00 0.00 C ATOM 302 C LEU A 23 4.504 4.378 4.099 1.00 0.00 C ATOM 303 O LEU A 23 3.982 5.340 3.535 1.00 0.00 O ATOM 304 CB LEU A 23 2.799 2.696 4.821 1.00 0.00 C ATOM 305 CG LEU A 23 2.212 2.935 3.430 1.00 0.00 C ATOM 306 CD1 LEU A 23 1.593 1.657 2.884 1.00 0.00 C ATOM 307 CD2 LEU A 23 1.181 4.054 3.471 1.00 0.00 C ATOM 0 H LEU A 23 2.358 5.134 5.761 1.00 0.00 H new ATOM 0 HA LEU A 23 4.598 3.205 5.883 1.00 0.00 H new ATOM 0 HB2 LEU A 23 3.260 1.709 4.834 1.00 0.00 H new ATOM 0 HB3 LEU A 23 1.980 2.674 5.540 1.00 0.00 H new ATOM 0 HG LEU A 23 3.020 3.236 2.763 1.00 0.00 H new ATOM 0 HD11 LEU A 23 1.180 1.847 1.893 1.00 0.00 H new ATOM 0 HD12 LEU A 23 2.357 0.883 2.817 1.00 0.00 H new ATOM 0 HD13 LEU A 23 0.797 1.324 3.551 1.00 0.00 H new ATOM 0 HD21 LEU A 23 0.774 4.210 2.472 1.00 0.00 H new ATOM 0 HD22 LEU A 23 0.375 3.782 4.153 1.00 0.00 H new ATOM 0 HD23 LEU A 23 1.655 4.973 3.818 1.00 0.00 H new ATOM 319 N SER A 24 5.662 3.854 3.712 1.00 0.00 N ATOM 320 CA SER A 24 6.406 4.394 2.580 1.00 0.00 C ATOM 321 C SER A 24 5.566 4.346 1.307 1.00 0.00 C ATOM 322 O SER A 24 4.563 3.639 1.221 1.00 0.00 O ATOM 323 CB SER A 24 7.706 3.613 2.377 1.00 0.00 C ATOM 324 OG SER A 24 8.835 4.427 2.636 1.00 0.00 O ATOM 0 H SER A 24 6.106 3.056 4.166 1.00 0.00 H new ATOM 0 HA SER A 24 6.647 5.435 2.798 1.00 0.00 H new ATOM 0 HB2 SER A 24 7.720 2.746 3.037 1.00 0.00 H new ATOM 0 HB3 SER A 24 7.752 3.236 1.355 1.00 0.00 H new ATOM 0 HG SER A 24 9.653 3.904 2.501 1.00 0.00 H new ATOM 330 N PRO A 25 5.987 5.117 0.293 1.00 0.00 N ATOM 331 CA PRO A 25 5.290 5.181 -0.995 1.00 0.00 C ATOM 332 C PRO A 25 5.426 3.889 -1.792 1.00 0.00 C ATOM 333 O PRO A 25 4.527 3.514 -2.545 1.00 0.00 O ATOM 334 CB PRO A 25 5.989 6.333 -1.720 1.00 0.00 C ATOM 335 CG PRO A 25 7.347 6.396 -1.111 1.00 0.00 C ATOM 336 CD PRO A 25 7.175 5.986 0.325 1.00 0.00 C ATOM 0 HA PRO A 25 4.217 5.326 -0.871 1.00 0.00 H new ATOM 0 HB2 PRO A 25 6.045 6.150 -2.793 1.00 0.00 H new ATOM 0 HB3 PRO A 25 5.450 7.271 -1.584 1.00 0.00 H new ATOM 0 HG2 PRO A 25 8.038 5.729 -1.627 1.00 0.00 H new ATOM 0 HG3 PRO A 25 7.761 7.402 -1.183 1.00 0.00 H new ATOM 0 HD2 PRO A 25 8.051 5.455 0.699 1.00 0.00 H new ATOM 0 HD3 PRO A 25 7.024 6.849 0.974 1.00 0.00 H new ATOM 344 N LYS A 26 6.556 3.211 -1.622 1.00 0.00 N ATOM 345 CA LYS A 26 6.810 1.958 -2.324 1.00 0.00 C ATOM 346 C LYS A 26 6.003 0.818 -1.713 1.00 0.00 C ATOM 347 O LYS A 26 5.461 -0.024 -2.429 1.00 0.00 O ATOM 348 CB LYS A 26 8.302 1.620 -2.283 1.00 0.00 C ATOM 349 CG LYS A 26 8.729 0.619 -3.343 1.00 0.00 C ATOM 350 CD LYS A 26 8.869 1.275 -4.706 1.00 0.00 C ATOM 351 CE LYS A 26 9.368 0.288 -5.751 1.00 0.00 C ATOM 352 NZ LYS A 26 10.838 0.402 -5.964 1.00 0.00 N ATOM 0 H LYS A 26 7.311 3.508 -1.004 1.00 0.00 H new ATOM 0 HA LYS A 26 6.500 2.083 -3.362 1.00 0.00 H new ATOM 0 HB2 LYS A 26 8.877 2.537 -2.409 1.00 0.00 H new ATOM 0 HB3 LYS A 26 8.549 1.222 -1.299 1.00 0.00 H new ATOM 0 HG2 LYS A 26 9.679 0.167 -3.056 1.00 0.00 H new ATOM 0 HG3 LYS A 26 7.997 -0.187 -3.400 1.00 0.00 H new ATOM 0 HD2 LYS A 26 7.906 1.680 -5.017 1.00 0.00 H new ATOM 0 HD3 LYS A 26 9.561 2.115 -4.638 1.00 0.00 H new ATOM 0 HE2 LYS A 26 9.124 -0.727 -5.438 1.00 0.00 H new ATOM 0 HE3 LYS A 26 8.850 0.464 -6.694 1.00 0.00 H new ATOM 0 HZ1 LYS A 26 11.139 -0.287 -6.683 1.00 0.00 H new ATOM 0 HZ2 LYS A 26 11.068 1.363 -6.287 1.00 0.00 H new ATOM 0 HZ3 LYS A 26 11.334 0.209 -5.071 1.00 0.00 H new ATOM 366 N GLU A 27 5.926 0.799 -0.386 1.00 0.00 N ATOM 367 CA GLU A 27 5.183 -0.240 0.320 1.00 0.00 C ATOM 368 C GLU A 27 3.798 -0.430 -0.293 1.00 0.00 C ATOM 369 O GLU A 27 3.332 -1.558 -0.458 1.00 0.00 O ATOM 370 CB GLU A 27 5.053 0.116 1.803 1.00 0.00 C ATOM 371 CG GLU A 27 5.952 -0.709 2.708 1.00 0.00 C ATOM 372 CD GLU A 27 5.294 -1.995 3.170 1.00 0.00 C ATOM 373 OE1 GLU A 27 4.725 -2.709 2.318 1.00 0.00 O ATOM 374 OE2 GLU A 27 5.347 -2.287 4.382 1.00 0.00 O ATOM 0 H GLU A 27 6.368 1.489 0.221 1.00 0.00 H new ATOM 0 HA GLU A 27 5.734 -1.176 0.225 1.00 0.00 H new ATOM 0 HB2 GLU A 27 5.288 1.172 1.936 1.00 0.00 H new ATOM 0 HB3 GLU A 27 4.017 -0.021 2.111 1.00 0.00 H new ATOM 0 HG2 GLU A 27 6.874 -0.947 2.178 1.00 0.00 H new ATOM 0 HG3 GLU A 27 6.229 -0.114 3.578 1.00 0.00 H new ATOM 381 N ARG A 28 3.147 0.679 -0.625 1.00 0.00 N ATOM 382 CA ARG A 28 1.816 0.635 -1.218 1.00 0.00 C ATOM 383 C ARG A 28 1.803 -0.248 -2.462 1.00 0.00 C ATOM 384 O ARG A 28 1.044 -1.214 -2.544 1.00 0.00 O ATOM 385 CB ARG A 28 1.346 2.046 -1.576 1.00 0.00 C ATOM 386 CG ARG A 28 1.026 2.907 -0.364 1.00 0.00 C ATOM 387 CD ARG A 28 0.335 4.201 -0.767 1.00 0.00 C ATOM 388 NE ARG A 28 -0.897 3.954 -1.512 1.00 0.00 N ATOM 389 CZ ARG A 28 -1.756 4.910 -1.850 1.00 0.00 C ATOM 390 NH1 ARG A 28 -1.516 6.169 -1.513 1.00 0.00 N ATOM 391 NH2 ARG A 28 -2.854 4.606 -2.529 1.00 0.00 N ATOM 0 H ARG A 28 3.519 1.619 -0.494 1.00 0.00 H new ATOM 0 HA ARG A 28 1.133 0.208 -0.483 1.00 0.00 H new ATOM 0 HB2 ARG A 28 2.118 2.538 -2.167 1.00 0.00 H new ATOM 0 HB3 ARG A 28 0.459 1.976 -2.206 1.00 0.00 H new ATOM 0 HG2 ARG A 28 0.387 2.350 0.321 1.00 0.00 H new ATOM 0 HG3 ARG A 28 1.946 3.137 0.174 1.00 0.00 H new ATOM 0 HD2 ARG A 28 0.108 4.784 0.126 1.00 0.00 H new ATOM 0 HD3 ARG A 28 1.013 4.800 -1.375 1.00 0.00 H new ATOM 0 HE ARG A 28 -1.110 2.995 -1.788 1.00 0.00 H new ATOM 0 HH11 ARG A 28 -0.671 6.406 -0.993 1.00 0.00 H new ATOM 0 HH12 ARG A 28 -2.176 6.901 -1.773 1.00 0.00 H new ATOM 0 HH21 ARG A 28 -3.039 3.638 -2.792 1.00 0.00 H new ATOM 0 HH22 ARG A 28 -3.513 5.340 -2.788 1.00 0.00 H new ATOM 405 N THR A 29 2.650 0.091 -3.430 1.00 0.00 N ATOM 406 CA THR A 29 2.734 -0.669 -4.670 1.00 0.00 C ATOM 407 C THR A 29 3.005 -2.144 -4.395 1.00 0.00 C ATOM 408 O THR A 29 2.529 -3.019 -5.120 1.00 0.00 O ATOM 409 CB THR A 29 3.841 -0.119 -5.590 1.00 0.00 C ATOM 410 OG1 THR A 29 3.405 1.097 -6.209 1.00 0.00 O ATOM 411 CG2 THR A 29 4.209 -1.135 -6.661 1.00 0.00 C ATOM 0 H THR A 29 3.287 0.886 -3.378 1.00 0.00 H new ATOM 0 HA THR A 29 1.770 -0.567 -5.169 1.00 0.00 H new ATOM 0 HB THR A 29 4.723 0.080 -4.981 1.00 0.00 H new ATOM 0 HG1 THR A 29 4.115 1.441 -6.791 1.00 0.00 H new ATOM 0 HG21 THR A 29 4.992 -0.724 -7.298 1.00 0.00 H new ATOM 0 HG22 THR A 29 4.568 -2.049 -6.188 1.00 0.00 H new ATOM 0 HG23 THR A 29 3.331 -1.361 -7.266 1.00 0.00 H new ATOM 419 N LEU A 30 3.770 -2.413 -3.343 1.00 0.00 N ATOM 420 CA LEU A 30 4.103 -3.783 -2.970 1.00 0.00 C ATOM 421 C LEU A 30 2.875 -4.518 -2.442 1.00 0.00 C ATOM 422 O LEU A 30 2.761 -5.737 -2.577 1.00 0.00 O ATOM 423 CB LEU A 30 5.210 -3.792 -1.915 1.00 0.00 C ATOM 424 CG LEU A 30 6.518 -3.105 -2.308 1.00 0.00 C ATOM 425 CD1 LEU A 30 7.445 -2.994 -1.107 1.00 0.00 C ATOM 426 CD2 LEU A 30 7.197 -3.860 -3.441 1.00 0.00 C ATOM 0 H LEU A 30 4.171 -1.701 -2.733 1.00 0.00 H new ATOM 0 HA LEU A 30 4.457 -4.300 -3.862 1.00 0.00 H new ATOM 0 HB2 LEU A 30 4.828 -3.313 -1.013 1.00 0.00 H new ATOM 0 HB3 LEU A 30 5.430 -4.828 -1.657 1.00 0.00 H new ATOM 0 HG LEU A 30 6.287 -2.098 -2.656 1.00 0.00 H new ATOM 0 HD11 LEU A 30 8.371 -2.502 -1.406 1.00 0.00 H new ATOM 0 HD12 LEU A 30 6.960 -2.409 -0.326 1.00 0.00 H new ATOM 0 HD13 LEU A 30 7.670 -3.991 -0.727 1.00 0.00 H new ATOM 0 HD21 LEU A 30 8.126 -3.357 -3.708 1.00 0.00 H new ATOM 0 HD22 LEU A 30 7.415 -4.879 -3.120 1.00 0.00 H new ATOM 0 HD23 LEU A 30 6.537 -3.886 -4.308 1.00 0.00 H new ATOM 438 N LEU A 31 1.957 -3.768 -1.842 1.00 0.00 N ATOM 439 CA LEU A 31 0.735 -4.348 -1.294 1.00 0.00 C ATOM 440 C LEU A 31 0.086 -5.296 -2.297 1.00 0.00 C ATOM 441 O LEU A 31 -0.408 -6.363 -1.929 1.00 0.00 O ATOM 442 CB LEU A 31 -0.249 -3.241 -0.911 1.00 0.00 C ATOM 443 CG LEU A 31 0.233 -2.253 0.153 1.00 0.00 C ATOM 444 CD1 LEU A 31 -0.783 -1.138 0.344 1.00 0.00 C ATOM 445 CD2 LEU A 31 0.491 -2.971 1.469 1.00 0.00 C ATOM 0 H LEU A 31 2.035 -2.758 -1.723 1.00 0.00 H new ATOM 0 HA LEU A 31 0.999 -4.917 -0.402 1.00 0.00 H new ATOM 0 HB2 LEU A 31 -0.502 -2.680 -1.811 1.00 0.00 H new ATOM 0 HB3 LEU A 31 -1.168 -3.706 -0.556 1.00 0.00 H new ATOM 0 HG LEU A 31 1.169 -1.810 -0.187 1.00 0.00 H new ATOM 0 HD11 LEU A 31 -0.424 -0.445 1.104 1.00 0.00 H new ATOM 0 HD12 LEU A 31 -0.920 -0.605 -0.597 1.00 0.00 H new ATOM 0 HD13 LEU A 31 -1.735 -1.564 0.662 1.00 0.00 H new ATOM 0 HD21 LEU A 31 0.833 -2.253 2.214 1.00 0.00 H new ATOM 0 HD22 LEU A 31 -0.430 -3.441 1.814 1.00 0.00 H new ATOM 0 HD23 LEU A 31 1.255 -3.735 1.323 1.00 0.00 H new ATOM 457 N LYS A 32 0.091 -4.902 -3.566 1.00 0.00 N ATOM 458 CA LYS A 32 -0.493 -5.719 -4.623 1.00 0.00 C ATOM 459 C LYS A 32 0.223 -7.061 -4.734 1.00 0.00 C ATOM 460 O LYS A 32 -0.404 -8.089 -4.991 1.00 0.00 O ATOM 461 CB LYS A 32 -0.425 -4.981 -5.962 1.00 0.00 C ATOM 462 CG LYS A 32 -0.956 -3.559 -5.901 1.00 0.00 C ATOM 463 CD LYS A 32 -1.898 -3.265 -7.056 1.00 0.00 C ATOM 464 CE LYS A 32 -2.415 -1.836 -7.003 1.00 0.00 C ATOM 465 NZ LYS A 32 -1.980 -1.045 -8.187 1.00 0.00 N ATOM 0 H LYS A 32 0.493 -4.021 -3.887 1.00 0.00 H new ATOM 0 HA LYS A 32 -1.537 -5.905 -4.369 1.00 0.00 H new ATOM 0 HB2 LYS A 32 0.610 -4.959 -6.303 1.00 0.00 H new ATOM 0 HB3 LYS A 32 -0.993 -5.541 -6.705 1.00 0.00 H new ATOM 0 HG2 LYS A 32 -1.478 -3.405 -4.957 1.00 0.00 H new ATOM 0 HG3 LYS A 32 -0.122 -2.857 -5.923 1.00 0.00 H new ATOM 0 HD2 LYS A 32 -1.380 -3.431 -8.001 1.00 0.00 H new ATOM 0 HD3 LYS A 32 -2.738 -3.958 -7.027 1.00 0.00 H new ATOM 0 HE2 LYS A 32 -3.504 -1.845 -6.952 1.00 0.00 H new ATOM 0 HE3 LYS A 32 -2.058 -1.354 -6.093 1.00 0.00 H new ATOM 0 HZ1 LYS A 32 -2.353 -0.077 -8.114 1.00 0.00 H new ATOM 0 HZ2 LYS A 32 -0.941 -1.014 -8.221 1.00 0.00 H new ATOM 0 HZ3 LYS A 32 -2.342 -1.490 -9.054 1.00 0.00 H new ATOM 479 N GLU A 33 1.537 -7.044 -4.535 1.00 0.00 N ATOM 480 CA GLU A 33 2.337 -8.260 -4.612 1.00 0.00 C ATOM 481 C GLU A 33 2.016 -9.198 -3.451 1.00 0.00 C ATOM 482 O GLU A 33 2.334 -10.386 -3.491 1.00 0.00 O ATOM 483 CB GLU A 33 3.829 -7.919 -4.608 1.00 0.00 C ATOM 484 CG GLU A 33 4.223 -6.904 -5.668 1.00 0.00 C ATOM 485 CD GLU A 33 5.702 -6.951 -6.000 1.00 0.00 C ATOM 486 OE1 GLU A 33 6.113 -7.866 -6.743 1.00 0.00 O ATOM 487 OE2 GLU A 33 6.447 -6.074 -5.516 1.00 0.00 O ATOM 0 H GLU A 33 2.070 -6.201 -4.319 1.00 0.00 H new ATOM 0 HA GLU A 33 2.090 -8.766 -5.545 1.00 0.00 H new ATOM 0 HB2 GLU A 33 4.102 -7.532 -3.626 1.00 0.00 H new ATOM 0 HB3 GLU A 33 4.403 -8.833 -4.761 1.00 0.00 H new ATOM 0 HG2 GLU A 33 3.645 -7.087 -6.574 1.00 0.00 H new ATOM 0 HG3 GLU A 33 3.964 -5.903 -5.322 1.00 0.00 H new ATOM 494 N ASP A 34 1.384 -8.653 -2.417 1.00 0.00 N ATOM 495 CA ASP A 34 1.018 -9.438 -1.244 1.00 0.00 C ATOM 496 C ASP A 34 -0.347 -10.090 -1.430 1.00 0.00 C ATOM 497 O ASP A 34 -1.267 -9.510 -2.008 1.00 0.00 O ATOM 498 CB ASP A 34 1.010 -8.555 0.005 1.00 0.00 C ATOM 499 CG ASP A 34 1.733 -9.196 1.172 1.00 0.00 C ATOM 500 OD1 ASP A 34 2.803 -9.801 0.948 1.00 0.00 O ATOM 501 OD2 ASP A 34 1.231 -9.093 2.311 1.00 0.00 O ATOM 0 H ASP A 34 1.115 -7.670 -2.368 1.00 0.00 H new ATOM 0 HA ASP A 34 1.762 -10.225 -1.118 1.00 0.00 H new ATOM 0 HB2 ASP A 34 1.478 -7.598 -0.227 1.00 0.00 H new ATOM 0 HB3 ASP A 34 -0.021 -8.345 0.291 1.00 0.00 H new ATOM 506 N PRO A 35 -0.486 -11.328 -0.932 1.00 0.00 N ATOM 507 CA PRO A 35 -1.737 -12.087 -1.032 1.00 0.00 C ATOM 508 C PRO A 35 -2.840 -11.504 -0.155 1.00 0.00 C ATOM 509 O PRO A 35 -4.022 -11.595 -0.486 1.00 0.00 O ATOM 510 CB PRO A 35 -1.344 -13.482 -0.542 1.00 0.00 C ATOM 511 CG PRO A 35 -0.172 -13.256 0.348 1.00 0.00 C ATOM 512 CD PRO A 35 0.568 -12.081 -0.231 1.00 0.00 C ATOM 0 HA PRO A 35 -2.143 -12.074 -2.044 1.00 0.00 H new ATOM 0 HB2 PRO A 35 -2.164 -13.958 -0.004 1.00 0.00 H new ATOM 0 HB3 PRO A 35 -1.088 -14.136 -1.375 1.00 0.00 H new ATOM 0 HG2 PRO A 35 -0.492 -13.051 1.370 1.00 0.00 H new ATOM 0 HG3 PRO A 35 0.466 -14.139 0.385 1.00 0.00 H new ATOM 0 HD2 PRO A 35 1.041 -11.481 0.546 1.00 0.00 H new ATOM 0 HD3 PRO A 35 1.357 -12.399 -0.913 1.00 0.00 H new ATOM 520 N ALA A 36 -2.446 -10.905 0.963 1.00 0.00 N ATOM 521 CA ALA A 36 -3.402 -10.306 1.887 1.00 0.00 C ATOM 522 C ALA A 36 -4.180 -9.179 1.215 1.00 0.00 C ATOM 523 O ALA A 36 -5.287 -8.841 1.634 1.00 0.00 O ATOM 524 CB ALA A 36 -2.686 -9.789 3.126 1.00 0.00 C ATOM 0 H ALA A 36 -1.471 -10.821 1.252 1.00 0.00 H new ATOM 0 HA ALA A 36 -4.113 -11.076 2.187 1.00 0.00 H new ATOM 0 HB1 ALA A 36 -3.412 -9.345 3.807 1.00 0.00 H new ATOM 0 HB2 ALA A 36 -2.179 -10.615 3.625 1.00 0.00 H new ATOM 0 HB3 ALA A 36 -1.953 -9.036 2.835 1.00 0.00 H new ATOM 530 N TYR A 37 -3.595 -8.602 0.172 1.00 0.00 N ATOM 531 CA TYR A 37 -4.232 -7.511 -0.555 1.00 0.00 C ATOM 532 C TYR A 37 -4.540 -7.920 -1.992 1.00 0.00 C ATOM 533 O TYR A 37 -4.174 -7.225 -2.940 1.00 0.00 O ATOM 534 CB TYR A 37 -3.335 -6.272 -0.547 1.00 0.00 C ATOM 535 CG TYR A 37 -2.872 -5.868 0.834 1.00 0.00 C ATOM 536 CD1 TYR A 37 -3.741 -5.254 1.728 1.00 0.00 C ATOM 537 CD2 TYR A 37 -1.566 -6.102 1.246 1.00 0.00 C ATOM 538 CE1 TYR A 37 -3.322 -4.883 2.991 1.00 0.00 C ATOM 539 CE2 TYR A 37 -1.138 -5.736 2.507 1.00 0.00 C ATOM 540 CZ TYR A 37 -2.019 -5.126 3.376 1.00 0.00 C ATOM 541 OH TYR A 37 -1.598 -4.759 4.634 1.00 0.00 O ATOM 0 H TYR A 37 -2.680 -8.872 -0.189 1.00 0.00 H new ATOM 0 HA TYR A 37 -5.171 -7.275 -0.054 1.00 0.00 H new ATOM 0 HB2 TYR A 37 -2.463 -6.461 -1.172 1.00 0.00 H new ATOM 0 HB3 TYR A 37 -3.876 -5.440 -0.998 1.00 0.00 H new ATOM 0 HD1 TYR A 37 -4.762 -5.064 1.430 1.00 0.00 H new ATOM 0 HD2 TYR A 37 -0.873 -6.579 0.568 1.00 0.00 H new ATOM 0 HE1 TYR A 37 -4.010 -4.406 3.673 1.00 0.00 H new ATOM 0 HE2 TYR A 37 -0.119 -5.926 2.811 1.00 0.00 H new ATOM 0 HH TYR A 37 -0.655 -5.001 4.747 1.00 0.00 H new ATOM 551 N TRP A 38 -5.214 -9.053 -2.145 1.00 0.00 N ATOM 552 CA TRP A 38 -5.573 -9.558 -3.467 1.00 0.00 C ATOM 553 C TRP A 38 -6.740 -8.770 -4.051 1.00 0.00 C ATOM 554 O TRP A 38 -6.816 -8.561 -5.262 1.00 0.00 O ATOM 555 CB TRP A 38 -5.932 -11.042 -3.389 1.00 0.00 C ATOM 556 CG TRP A 38 -7.096 -11.326 -2.490 1.00 0.00 C ATOM 557 CD1 TRP A 38 -7.050 -11.859 -1.233 1.00 0.00 C ATOM 558 CD2 TRP A 38 -8.479 -11.095 -2.779 1.00 0.00 C ATOM 559 NE1 TRP A 38 -8.322 -11.971 -0.723 1.00 0.00 N ATOM 560 CE2 TRP A 38 -9.216 -11.509 -1.652 1.00 0.00 C ATOM 561 CE3 TRP A 38 -9.167 -10.576 -3.880 1.00 0.00 C ATOM 562 CZ2 TRP A 38 -10.605 -11.421 -1.598 1.00 0.00 C ATOM 563 CZ3 TRP A 38 -10.545 -10.489 -3.824 1.00 0.00 C ATOM 564 CH2 TRP A 38 -11.252 -10.909 -2.689 1.00 0.00 C ATOM 0 H TRP A 38 -5.524 -9.641 -1.371 1.00 0.00 H new ATOM 0 HA TRP A 38 -4.711 -9.435 -4.122 1.00 0.00 H new ATOM 0 HB2 TRP A 38 -6.159 -11.406 -4.391 1.00 0.00 H new ATOM 0 HB3 TRP A 38 -5.065 -11.600 -3.036 1.00 0.00 H new ATOM 0 HD1 TRP A 38 -6.147 -12.150 -0.716 1.00 0.00 H new ATOM 0 HE1 TRP A 38 -8.561 -12.339 0.198 1.00 0.00 H new ATOM 0 HE3 TRP A 38 -8.631 -10.249 -4.759 1.00 0.00 H new ATOM 0 HZ2 TRP A 38 -11.152 -11.746 -0.725 1.00 0.00 H new ATOM 0 HZ3 TRP A 38 -11.086 -10.091 -4.669 1.00 0.00 H new ATOM 0 HH2 TRP A 38 -12.329 -10.827 -2.676 1.00 0.00 H new ATOM 575 N PHE A 39 -7.649 -8.335 -3.184 1.00 0.00 N ATOM 576 CA PHE A 39 -8.814 -7.571 -3.615 1.00 0.00 C ATOM 577 C PHE A 39 -8.390 -6.312 -4.367 1.00 0.00 C ATOM 578 O PHE A 39 -9.137 -5.789 -5.195 1.00 0.00 O ATOM 579 CB PHE A 39 -9.676 -7.192 -2.410 1.00 0.00 C ATOM 580 CG PHE A 39 -8.966 -6.318 -1.415 1.00 0.00 C ATOM 581 CD1 PHE A 39 -8.911 -4.946 -1.595 1.00 0.00 C ATOM 582 CD2 PHE A 39 -8.356 -6.869 -0.301 1.00 0.00 C ATOM 583 CE1 PHE A 39 -8.258 -4.139 -0.682 1.00 0.00 C ATOM 584 CE2 PHE A 39 -7.701 -6.067 0.616 1.00 0.00 C ATOM 585 CZ PHE A 39 -7.653 -4.701 0.426 1.00 0.00 C ATOM 0 H PHE A 39 -7.601 -8.499 -2.178 1.00 0.00 H new ATOM 0 HA PHE A 39 -9.399 -8.197 -4.289 1.00 0.00 H new ATOM 0 HB2 PHE A 39 -10.570 -6.677 -2.761 1.00 0.00 H new ATOM 0 HB3 PHE A 39 -10.008 -8.102 -1.910 1.00 0.00 H new ATOM 0 HD1 PHE A 39 -9.384 -4.501 -2.458 1.00 0.00 H new ATOM 0 HD2 PHE A 39 -8.392 -7.937 -0.146 1.00 0.00 H new ATOM 0 HE1 PHE A 39 -8.221 -3.070 -0.835 1.00 0.00 H new ATOM 0 HE2 PHE A 39 -7.228 -6.509 1.480 1.00 0.00 H new ATOM 0 HZ PHE A 39 -7.144 -4.073 1.142 1.00 0.00 H new ATOM 595 N LEU A 40 -7.188 -5.831 -4.073 1.00 0.00 N ATOM 596 CA LEU A 40 -6.663 -4.633 -4.721 1.00 0.00 C ATOM 597 C LEU A 40 -6.915 -4.674 -6.224 1.00 0.00 C ATOM 598 O LEU A 40 -7.399 -3.705 -6.809 1.00 0.00 O ATOM 599 CB LEU A 40 -5.165 -4.496 -4.446 1.00 0.00 C ATOM 600 CG LEU A 40 -4.780 -4.039 -3.038 1.00 0.00 C ATOM 601 CD1 LEU A 40 -3.268 -4.044 -2.870 1.00 0.00 C ATOM 602 CD2 LEU A 40 -5.346 -2.657 -2.751 1.00 0.00 C ATOM 0 H LEU A 40 -6.558 -6.251 -3.390 1.00 0.00 H new ATOM 0 HA LEU A 40 -7.182 -3.768 -4.308 1.00 0.00 H new ATOM 0 HB2 LEU A 40 -4.692 -5.459 -4.636 1.00 0.00 H new ATOM 0 HB3 LEU A 40 -4.748 -3.789 -5.163 1.00 0.00 H new ATOM 0 HG LEU A 40 -5.207 -4.740 -2.321 1.00 0.00 H new ATOM 0 HD11 LEU A 40 -3.013 -3.716 -1.862 1.00 0.00 H new ATOM 0 HD12 LEU A 40 -2.887 -5.053 -3.031 1.00 0.00 H new ATOM 0 HD13 LEU A 40 -2.819 -3.367 -3.597 1.00 0.00 H new ATOM 0 HD21 LEU A 40 -5.062 -2.349 -1.745 1.00 0.00 H new ATOM 0 HD22 LEU A 40 -4.950 -1.944 -3.474 1.00 0.00 H new ATOM 0 HD23 LEU A 40 -6.433 -2.686 -2.828 1.00 0.00 H new ATOM 614 N SER A 41 -6.584 -5.802 -6.845 1.00 0.00 N ATOM 615 CA SER A 41 -6.772 -5.968 -8.281 1.00 0.00 C ATOM 616 C SER A 41 -8.256 -6.023 -8.631 1.00 0.00 C ATOM 617 O SER A 41 -8.685 -5.481 -9.650 1.00 0.00 O ATOM 618 CB SER A 41 -6.074 -7.240 -8.765 1.00 0.00 C ATOM 619 OG SER A 41 -4.706 -7.242 -8.396 1.00 0.00 O ATOM 0 H SER A 41 -6.184 -6.614 -6.376 1.00 0.00 H new ATOM 0 HA SER A 41 -6.330 -5.107 -8.783 1.00 0.00 H new ATOM 0 HB2 SER A 41 -6.569 -8.114 -8.342 1.00 0.00 H new ATOM 0 HB3 SER A 41 -6.162 -7.317 -9.849 1.00 0.00 H new ATOM 0 HG SER A 41 -4.282 -8.066 -8.715 1.00 0.00 H new ATOM 625 N ASP A 42 -9.033 -6.682 -7.780 1.00 0.00 N ATOM 626 CA ASP A 42 -10.470 -6.809 -7.997 1.00 0.00 C ATOM 627 C ASP A 42 -11.185 -5.496 -7.691 1.00 0.00 C ATOM 628 O ASP A 42 -10.713 -4.698 -6.882 1.00 0.00 O ATOM 629 CB ASP A 42 -11.043 -7.929 -7.129 1.00 0.00 C ATOM 630 CG ASP A 42 -12.187 -8.659 -7.804 1.00 0.00 C ATOM 631 OD1 ASP A 42 -13.233 -8.023 -8.052 1.00 0.00 O ATOM 632 OD2 ASP A 42 -12.037 -9.866 -8.087 1.00 0.00 O ATOM 0 H ASP A 42 -8.693 -7.137 -6.933 1.00 0.00 H new ATOM 0 HA ASP A 42 -10.632 -7.055 -9.047 1.00 0.00 H new ATOM 0 HB2 ASP A 42 -10.252 -8.641 -6.891 1.00 0.00 H new ATOM 0 HB3 ASP A 42 -11.390 -7.511 -6.184 1.00 0.00 H new ATOM 637 N GLU A 43 -12.322 -5.280 -8.344 1.00 0.00 N ATOM 638 CA GLU A 43 -13.098 -4.062 -8.142 1.00 0.00 C ATOM 639 C GLU A 43 -14.529 -4.393 -7.727 1.00 0.00 C ATOM 640 O GLU A 43 -15.151 -3.655 -6.964 1.00 0.00 O ATOM 641 CB GLU A 43 -13.108 -3.219 -9.420 1.00 0.00 C ATOM 642 CG GLU A 43 -11.860 -2.371 -9.598 1.00 0.00 C ATOM 643 CD GLU A 43 -12.179 -0.908 -9.842 1.00 0.00 C ATOM 644 OE1 GLU A 43 -12.762 -0.270 -8.941 1.00 0.00 O ATOM 645 OE2 GLU A 43 -11.844 -0.403 -10.933 1.00 0.00 O ATOM 0 H GLU A 43 -12.726 -5.932 -9.017 1.00 0.00 H new ATOM 0 HA GLU A 43 -12.628 -3.490 -7.342 1.00 0.00 H new ATOM 0 HB2 GLU A 43 -13.214 -3.880 -10.280 1.00 0.00 H new ATOM 0 HB3 GLU A 43 -13.982 -2.567 -9.409 1.00 0.00 H new ATOM 0 HG2 GLU A 43 -11.235 -2.460 -8.709 1.00 0.00 H new ATOM 0 HG3 GLU A 43 -11.279 -2.757 -10.436 1.00 0.00 H new ATOM 652 N ASN A 44 -15.044 -5.507 -8.236 1.00 0.00 N ATOM 653 CA ASN A 44 -16.402 -5.936 -7.919 1.00 0.00 C ATOM 654 C ASN A 44 -16.421 -6.795 -6.659 1.00 0.00 C ATOM 655 O ASN A 44 -17.006 -7.877 -6.642 1.00 0.00 O ATOM 656 CB ASN A 44 -16.999 -6.716 -9.091 1.00 0.00 C ATOM 657 CG ASN A 44 -18.419 -6.288 -9.408 1.00 0.00 C ATOM 658 OD1 ASN A 44 -19.297 -6.324 -8.547 1.00 0.00 O ATOM 659 ND2 ASN A 44 -18.649 -5.879 -10.651 1.00 0.00 N ATOM 0 H ASN A 44 -14.542 -6.129 -8.870 1.00 0.00 H new ATOM 0 HA ASN A 44 -17.005 -5.046 -7.739 1.00 0.00 H new ATOM 0 HB2 ASN A 44 -16.375 -6.575 -9.973 1.00 0.00 H new ATOM 0 HB3 ASN A 44 -16.987 -7.781 -8.859 1.00 0.00 H new ATOM 0 HD21 ASN A 44 -19.585 -5.578 -10.924 1.00 0.00 H new ATOM 0 HD22 ASN A 44 -17.890 -5.866 -11.332 1.00 0.00 H new ATOM 666 N SER A 45 -15.778 -6.304 -5.604 1.00 0.00 N ATOM 667 CA SER A 45 -15.717 -7.027 -4.340 1.00 0.00 C ATOM 668 C SER A 45 -16.002 -6.096 -3.166 1.00 0.00 C ATOM 669 O SER A 45 -16.358 -4.931 -3.354 1.00 0.00 O ATOM 670 CB SER A 45 -14.345 -7.681 -4.167 1.00 0.00 C ATOM 671 OG SER A 45 -13.317 -6.706 -4.137 1.00 0.00 O ATOM 0 H SER A 45 -15.292 -5.407 -5.600 1.00 0.00 H new ATOM 0 HA SER A 45 -16.481 -7.804 -4.358 1.00 0.00 H new ATOM 0 HB2 SER A 45 -14.328 -8.260 -3.244 1.00 0.00 H new ATOM 0 HB3 SER A 45 -14.165 -8.379 -4.985 1.00 0.00 H new ATOM 0 HG SER A 45 -12.450 -7.148 -4.024 1.00 0.00 H new ATOM 677 N LEU A 46 -15.841 -6.615 -1.954 1.00 0.00 N ATOM 678 CA LEU A 46 -16.080 -5.830 -0.747 1.00 0.00 C ATOM 679 C LEU A 46 -14.771 -5.290 -0.181 1.00 0.00 C ATOM 680 O LEU A 46 -14.678 -4.117 0.181 1.00 0.00 O ATOM 681 CB LEU A 46 -16.792 -6.681 0.306 1.00 0.00 C ATOM 682 CG LEU A 46 -16.486 -6.339 1.764 1.00 0.00 C ATOM 683 CD1 LEU A 46 -15.136 -6.907 2.174 1.00 0.00 C ATOM 684 CD2 LEU A 46 -16.518 -4.832 1.976 1.00 0.00 C ATOM 0 H LEU A 46 -15.546 -7.576 -1.780 1.00 0.00 H new ATOM 0 HA LEU A 46 -16.716 -4.985 -1.012 1.00 0.00 H new ATOM 0 HB2 LEU A 46 -17.867 -6.591 0.151 1.00 0.00 H new ATOM 0 HB3 LEU A 46 -16.532 -7.726 0.136 1.00 0.00 H new ATOM 0 HG LEU A 46 -17.254 -6.791 2.392 1.00 0.00 H new ATOM 0 HD11 LEU A 46 -14.936 -6.653 3.215 1.00 0.00 H new ATOM 0 HD12 LEU A 46 -15.148 -7.991 2.060 1.00 0.00 H new ATOM 0 HD13 LEU A 46 -14.356 -6.484 1.541 1.00 0.00 H new ATOM 0 HD21 LEU A 46 -16.298 -4.607 3.020 1.00 0.00 H new ATOM 0 HD22 LEU A 46 -15.772 -4.359 1.337 1.00 0.00 H new ATOM 0 HD23 LEU A 46 -17.507 -4.450 1.723 1.00 0.00 H new ATOM 696 N GLU A 47 -13.762 -6.152 -0.111 1.00 0.00 N ATOM 697 CA GLU A 47 -12.457 -5.761 0.410 1.00 0.00 C ATOM 698 C GLU A 47 -11.900 -4.567 -0.361 1.00 0.00 C ATOM 699 O GLU A 47 -11.150 -3.758 0.185 1.00 0.00 O ATOM 700 CB GLU A 47 -11.479 -6.933 0.331 1.00 0.00 C ATOM 701 CG GLU A 47 -11.888 -8.126 1.180 1.00 0.00 C ATOM 702 CD GLU A 47 -12.803 -9.082 0.440 1.00 0.00 C ATOM 703 OE1 GLU A 47 -12.726 -9.131 -0.805 1.00 0.00 O ATOM 704 OE2 GLU A 47 -13.597 -9.778 1.106 1.00 0.00 O ATOM 0 H GLU A 47 -13.823 -7.126 -0.408 1.00 0.00 H new ATOM 0 HA GLU A 47 -12.583 -5.472 1.454 1.00 0.00 H new ATOM 0 HB2 GLU A 47 -11.389 -7.251 -0.708 1.00 0.00 H new ATOM 0 HB3 GLU A 47 -10.492 -6.594 0.647 1.00 0.00 H new ATOM 0 HG2 GLU A 47 -10.995 -8.661 1.503 1.00 0.00 H new ATOM 0 HG3 GLU A 47 -12.390 -7.772 2.080 1.00 0.00 H new ATOM 711 N TYR A 48 -12.274 -4.464 -1.631 1.00 0.00 N ATOM 712 CA TYR A 48 -11.810 -3.372 -2.479 1.00 0.00 C ATOM 713 C TYR A 48 -12.694 -2.138 -2.310 1.00 0.00 C ATOM 714 O TYR A 48 -12.254 -1.010 -2.528 1.00 0.00 O ATOM 715 CB TYR A 48 -11.796 -3.806 -3.944 1.00 0.00 C ATOM 716 CG TYR A 48 -11.368 -2.712 -4.896 1.00 0.00 C ATOM 717 CD1 TYR A 48 -12.273 -1.756 -5.341 1.00 0.00 C ATOM 718 CD2 TYR A 48 -10.057 -2.633 -5.351 1.00 0.00 C ATOM 719 CE1 TYR A 48 -11.887 -0.755 -6.211 1.00 0.00 C ATOM 720 CE2 TYR A 48 -9.661 -1.635 -6.219 1.00 0.00 C ATOM 721 CZ TYR A 48 -10.580 -0.698 -6.647 1.00 0.00 C ATOM 722 OH TYR A 48 -10.190 0.298 -7.513 1.00 0.00 O ATOM 0 H TYR A 48 -12.897 -5.124 -2.096 1.00 0.00 H new ATOM 0 HA TYR A 48 -10.795 -3.115 -2.174 1.00 0.00 H new ATOM 0 HB2 TYR A 48 -11.124 -4.657 -4.056 1.00 0.00 H new ATOM 0 HB3 TYR A 48 -12.793 -4.149 -4.222 1.00 0.00 H new ATOM 0 HD1 TYR A 48 -13.297 -1.796 -5.000 1.00 0.00 H new ATOM 0 HD2 TYR A 48 -9.335 -3.365 -5.020 1.00 0.00 H new ATOM 0 HE1 TYR A 48 -12.604 -0.021 -6.548 1.00 0.00 H new ATOM 0 HE2 TYR A 48 -8.638 -1.588 -6.561 1.00 0.00 H new ATOM 0 HH TYR A 48 -10.961 0.591 -8.042 1.00 0.00 H new ATOM 732 N LYS A 49 -13.944 -2.364 -1.919 1.00 0.00 N ATOM 733 CA LYS A 49 -14.890 -1.274 -1.719 1.00 0.00 C ATOM 734 C LYS A 49 -14.447 -0.373 -0.571 1.00 0.00 C ATOM 735 O LYS A 49 -14.875 0.778 -0.471 1.00 0.00 O ATOM 736 CB LYS A 49 -16.288 -1.831 -1.434 1.00 0.00 C ATOM 737 CG LYS A 49 -17.251 -1.681 -2.599 1.00 0.00 C ATOM 738 CD LYS A 49 -18.199 -2.865 -2.695 1.00 0.00 C ATOM 739 CE LYS A 49 -18.438 -3.272 -4.140 1.00 0.00 C ATOM 740 NZ LYS A 49 -19.703 -2.699 -4.676 1.00 0.00 N ATOM 0 H LYS A 49 -14.325 -3.292 -1.735 1.00 0.00 H new ATOM 0 HA LYS A 49 -14.921 -0.680 -2.633 1.00 0.00 H new ATOM 0 HB2 LYS A 49 -16.204 -2.887 -1.177 1.00 0.00 H new ATOM 0 HB3 LYS A 49 -16.702 -1.323 -0.563 1.00 0.00 H new ATOM 0 HG2 LYS A 49 -17.826 -0.762 -2.481 1.00 0.00 H new ATOM 0 HG3 LYS A 49 -16.688 -1.588 -3.528 1.00 0.00 H new ATOM 0 HD2 LYS A 49 -17.786 -3.709 -2.142 1.00 0.00 H new ATOM 0 HD3 LYS A 49 -19.149 -2.610 -2.226 1.00 0.00 H new ATOM 0 HE2 LYS A 49 -17.601 -2.940 -4.754 1.00 0.00 H new ATOM 0 HE3 LYS A 49 -18.474 -4.359 -4.210 1.00 0.00 H new ATOM 0 HZ1 LYS A 49 -19.829 -3.000 -5.663 1.00 0.00 H new ATOM 0 HZ2 LYS A 49 -20.505 -3.035 -4.106 1.00 0.00 H new ATOM 0 HZ3 LYS A 49 -19.659 -1.661 -4.633 1.00 0.00 H new ATOM 754 N TYR A 50 -13.588 -0.901 0.293 1.00 0.00 N ATOM 755 CA TYR A 50 -13.087 -0.144 1.434 1.00 0.00 C ATOM 756 C TYR A 50 -11.840 0.648 1.057 1.00 0.00 C ATOM 757 O TYR A 50 -11.806 1.872 1.184 1.00 0.00 O ATOM 758 CB TYR A 50 -12.777 -1.086 2.600 1.00 0.00 C ATOM 759 CG TYR A 50 -14.000 -1.508 3.380 1.00 0.00 C ATOM 760 CD1 TYR A 50 -15.162 -1.903 2.728 1.00 0.00 C ATOM 761 CD2 TYR A 50 -13.995 -1.511 4.770 1.00 0.00 C ATOM 762 CE1 TYR A 50 -16.282 -2.289 3.437 1.00 0.00 C ATOM 763 CE2 TYR A 50 -15.111 -1.897 5.487 1.00 0.00 C ATOM 764 CZ TYR A 50 -16.252 -2.285 4.817 1.00 0.00 C ATOM 765 OH TYR A 50 -17.366 -2.669 5.528 1.00 0.00 O ATOM 0 H TYR A 50 -13.224 -1.851 0.225 1.00 0.00 H new ATOM 0 HA TYR A 50 -13.861 0.559 1.741 1.00 0.00 H new ATOM 0 HB2 TYR A 50 -12.278 -1.975 2.215 1.00 0.00 H new ATOM 0 HB3 TYR A 50 -12.077 -0.595 3.276 1.00 0.00 H new ATOM 0 HD1 TYR A 50 -15.189 -1.908 1.648 1.00 0.00 H new ATOM 0 HD2 TYR A 50 -13.104 -1.206 5.298 1.00 0.00 H new ATOM 0 HE1 TYR A 50 -17.177 -2.593 2.915 1.00 0.00 H new ATOM 0 HE2 TYR A 50 -15.090 -1.895 6.567 1.00 0.00 H new ATOM 0 HH TYR A 50 -17.874 -3.327 5.010 1.00 0.00 H new ATOM 775 N TYR A 51 -10.816 -0.060 0.593 1.00 0.00 N ATOM 776 CA TYR A 51 -9.564 0.575 0.200 1.00 0.00 C ATOM 777 C TYR A 51 -9.827 1.832 -0.625 1.00 0.00 C ATOM 778 O TYR A 51 -9.049 2.787 -0.589 1.00 0.00 O ATOM 779 CB TYR A 51 -8.702 -0.403 -0.601 1.00 0.00 C ATOM 780 CG TYR A 51 -7.424 0.210 -1.130 1.00 0.00 C ATOM 781 CD1 TYR A 51 -6.323 0.393 -0.302 1.00 0.00 C ATOM 782 CD2 TYR A 51 -7.318 0.607 -2.457 1.00 0.00 C ATOM 783 CE1 TYR A 51 -5.155 0.953 -0.780 1.00 0.00 C ATOM 784 CE2 TYR A 51 -6.153 1.166 -2.945 1.00 0.00 C ATOM 785 CZ TYR A 51 -5.074 1.337 -2.103 1.00 0.00 C ATOM 786 OH TYR A 51 -3.912 1.895 -2.584 1.00 0.00 O ATOM 0 H TYR A 51 -10.829 -1.074 0.480 1.00 0.00 H new ATOM 0 HA TYR A 51 -9.030 0.862 1.106 1.00 0.00 H new ATOM 0 HB2 TYR A 51 -8.452 -1.256 0.031 1.00 0.00 H new ATOM 0 HB3 TYR A 51 -9.285 -0.787 -1.438 1.00 0.00 H new ATOM 0 HD1 TYR A 51 -6.382 0.092 0.733 1.00 0.00 H new ATOM 0 HD2 TYR A 51 -8.161 0.476 -3.119 1.00 0.00 H new ATOM 0 HE1 TYR A 51 -4.309 1.090 -0.122 1.00 0.00 H new ATOM 0 HE2 TYR A 51 -6.087 1.467 -3.980 1.00 0.00 H new ATOM 0 HH TYR A 51 -4.020 2.108 -3.534 1.00 0.00 H new ATOM 796 N LYS A 52 -10.928 1.826 -1.366 1.00 0.00 N ATOM 797 CA LYS A 52 -11.297 2.964 -2.200 1.00 0.00 C ATOM 798 C LYS A 52 -12.164 3.949 -1.422 1.00 0.00 C ATOM 799 O LYS A 52 -11.960 5.161 -1.490 1.00 0.00 O ATOM 800 CB LYS A 52 -12.042 2.488 -3.449 1.00 0.00 C ATOM 801 CG LYS A 52 -11.128 1.921 -4.522 1.00 0.00 C ATOM 802 CD LYS A 52 -10.245 2.999 -5.129 1.00 0.00 C ATOM 803 CE LYS A 52 -10.779 3.464 -6.475 1.00 0.00 C ATOM 804 NZ LYS A 52 -11.761 4.573 -6.329 1.00 0.00 N ATOM 0 H LYS A 52 -11.582 1.045 -1.407 1.00 0.00 H new ATOM 0 HA LYS A 52 -10.382 3.473 -2.503 1.00 0.00 H new ATOM 0 HB2 LYS A 52 -12.767 1.727 -3.161 1.00 0.00 H new ATOM 0 HB3 LYS A 52 -12.605 3.323 -3.867 1.00 0.00 H new ATOM 0 HG2 LYS A 52 -10.504 1.137 -4.093 1.00 0.00 H new ATOM 0 HG3 LYS A 52 -11.728 1.458 -5.305 1.00 0.00 H new ATOM 0 HD2 LYS A 52 -10.184 3.848 -4.448 1.00 0.00 H new ATOM 0 HD3 LYS A 52 -9.232 2.615 -5.251 1.00 0.00 H new ATOM 0 HE2 LYS A 52 -9.949 3.794 -7.101 1.00 0.00 H new ATOM 0 HE3 LYS A 52 -11.251 2.626 -6.987 1.00 0.00 H new ATOM 0 HZ1 LYS A 52 -12.661 4.300 -6.772 1.00 0.00 H new ATOM 0 HZ2 LYS A 52 -11.917 4.768 -5.319 1.00 0.00 H new ATOM 0 HZ3 LYS A 52 -11.392 5.427 -6.793 1.00 0.00 H new ATOM 818 N LEU A 53 -13.134 3.420 -0.682 1.00 0.00 N ATOM 819 CA LEU A 53 -14.032 4.252 0.110 1.00 0.00 C ATOM 820 C LEU A 53 -13.315 4.815 1.334 1.00 0.00 C ATOM 821 O LEU A 53 -13.054 6.015 1.416 1.00 0.00 O ATOM 822 CB LEU A 53 -15.254 3.444 0.548 1.00 0.00 C ATOM 823 CG LEU A 53 -16.122 4.075 1.638 1.00 0.00 C ATOM 824 CD1 LEU A 53 -15.638 3.654 3.017 1.00 0.00 C ATOM 825 CD2 LEU A 53 -16.119 5.591 1.509 1.00 0.00 C ATOM 0 H LEU A 53 -13.318 2.419 -0.615 1.00 0.00 H new ATOM 0 HA LEU A 53 -14.359 5.085 -0.512 1.00 0.00 H new ATOM 0 HB2 LEU A 53 -15.879 3.265 -0.327 1.00 0.00 H new ATOM 0 HB3 LEU A 53 -14.913 2.471 0.901 1.00 0.00 H new ATOM 0 HG LEU A 53 -17.145 3.721 1.512 1.00 0.00 H new ATOM 0 HD11 LEU A 53 -16.268 4.113 3.779 1.00 0.00 H new ATOM 0 HD12 LEU A 53 -15.692 2.569 3.106 1.00 0.00 H new ATOM 0 HD13 LEU A 53 -14.607 3.978 3.155 1.00 0.00 H new ATOM 0 HD21 LEU A 53 -16.741 6.024 2.292 1.00 0.00 H new ATOM 0 HD22 LEU A 53 -15.099 5.963 1.609 1.00 0.00 H new ATOM 0 HD23 LEU A 53 -16.514 5.874 0.533 1.00 0.00 H new ATOM 837 N LYS A 54 -12.999 3.939 2.283 1.00 0.00 N ATOM 838 CA LYS A 54 -12.308 4.347 3.500 1.00 0.00 C ATOM 839 C LYS A 54 -11.209 5.358 3.191 1.00 0.00 C ATOM 840 O LYS A 54 -10.887 6.212 4.018 1.00 0.00 O ATOM 841 CB LYS A 54 -11.711 3.127 4.204 1.00 0.00 C ATOM 842 CG LYS A 54 -11.657 3.262 5.716 1.00 0.00 C ATOM 843 CD LYS A 54 -12.991 2.916 6.355 1.00 0.00 C ATOM 844 CE LYS A 54 -13.056 3.384 7.801 1.00 0.00 C ATOM 845 NZ LYS A 54 -14.302 2.929 8.476 1.00 0.00 N ATOM 0 H LYS A 54 -13.211 2.943 2.232 1.00 0.00 H new ATOM 0 HA LYS A 54 -13.035 4.820 4.159 1.00 0.00 H new ATOM 0 HB2 LYS A 54 -12.299 2.246 3.947 1.00 0.00 H new ATOM 0 HB3 LYS A 54 -10.702 2.958 3.827 1.00 0.00 H new ATOM 0 HG2 LYS A 54 -10.882 2.607 6.113 1.00 0.00 H new ATOM 0 HG3 LYS A 54 -11.379 4.282 5.981 1.00 0.00 H new ATOM 0 HD2 LYS A 54 -13.798 3.377 5.786 1.00 0.00 H new ATOM 0 HD3 LYS A 54 -13.147 1.838 6.313 1.00 0.00 H new ATOM 0 HE2 LYS A 54 -12.190 3.006 8.344 1.00 0.00 H new ATOM 0 HE3 LYS A 54 -13.002 4.472 7.833 1.00 0.00 H new ATOM 0 HZ1 LYS A 54 -14.308 3.268 9.459 1.00 0.00 H new ATOM 0 HZ2 LYS A 54 -15.128 3.310 7.973 1.00 0.00 H new ATOM 0 HZ3 LYS A 54 -14.341 1.890 8.468 1.00 0.00 H new ATOM 859 N LEU A 55 -10.640 5.257 1.996 1.00 0.00 N ATOM 860 CA LEU A 55 -9.577 6.165 1.575 1.00 0.00 C ATOM 861 C LEU A 55 -10.144 7.530 1.200 1.00 0.00 C ATOM 862 O LEU A 55 -9.575 8.566 1.545 1.00 0.00 O ATOM 863 CB LEU A 55 -8.813 5.573 0.390 1.00 0.00 C ATOM 864 CG LEU A 55 -7.517 6.286 0.004 1.00 0.00 C ATOM 865 CD1 LEU A 55 -6.464 6.104 1.086 1.00 0.00 C ATOM 866 CD2 LEU A 55 -7.003 5.773 -1.333 1.00 0.00 C ATOM 0 H LEU A 55 -10.896 4.556 1.301 1.00 0.00 H new ATOM 0 HA LEU A 55 -8.891 6.295 2.412 1.00 0.00 H new ATOM 0 HB2 LEU A 55 -8.578 4.533 0.618 1.00 0.00 H new ATOM 0 HB3 LEU A 55 -9.474 5.568 -0.477 1.00 0.00 H new ATOM 0 HG LEU A 55 -7.727 7.351 -0.094 1.00 0.00 H new ATOM 0 HD11 LEU A 55 -5.549 6.619 0.793 1.00 0.00 H new ATOM 0 HD12 LEU A 55 -6.830 6.521 2.024 1.00 0.00 H new ATOM 0 HD13 LEU A 55 -6.257 5.042 1.217 1.00 0.00 H new ATOM 0 HD21 LEU A 55 -6.080 6.292 -1.591 1.00 0.00 H new ATOM 0 HD22 LEU A 55 -6.810 4.703 -1.262 1.00 0.00 H new ATOM 0 HD23 LEU A 55 -7.751 5.956 -2.105 1.00 0.00 H new ATOM 878 N ALA A 56 -11.268 7.524 0.492 1.00 0.00 N ATOM 879 CA ALA A 56 -11.915 8.761 0.073 1.00 0.00 C ATOM 880 C ALA A 56 -12.347 9.590 1.277 1.00 0.00 C ATOM 881 O ALA A 56 -12.083 10.790 1.343 1.00 0.00 O ATOM 882 CB ALA A 56 -13.110 8.457 -0.818 1.00 0.00 C ATOM 0 H ALA A 56 -11.750 6.675 0.196 1.00 0.00 H new ATOM 0 HA ALA A 56 -11.192 9.345 -0.496 1.00 0.00 H new ATOM 0 HB1 ALA A 56 -13.583 9.390 -1.123 1.00 0.00 H new ATOM 0 HB2 ALA A 56 -12.776 7.914 -1.702 1.00 0.00 H new ATOM 0 HB3 ALA A 56 -13.828 7.849 -0.268 1.00 0.00 H new ATOM 888 N GLU A 57 -13.013 8.941 2.227 1.00 0.00 N ATOM 889 CA GLU A 57 -13.484 9.621 3.429 1.00 0.00 C ATOM 890 C GLU A 57 -12.311 10.034 4.314 1.00 0.00 C ATOM 891 O GLU A 57 -12.326 11.103 4.923 1.00 0.00 O ATOM 892 CB GLU A 57 -14.436 8.716 4.213 1.00 0.00 C ATOM 893 CG GLU A 57 -13.742 7.548 4.896 1.00 0.00 C ATOM 894 CD GLU A 57 -14.666 6.782 5.822 1.00 0.00 C ATOM 895 OE1 GLU A 57 -15.483 7.427 6.511 1.00 0.00 O ATOM 896 OE2 GLU A 57 -14.570 5.537 5.859 1.00 0.00 O ATOM 0 H GLU A 57 -13.238 7.947 2.188 1.00 0.00 H new ATOM 0 HA GLU A 57 -14.019 10.520 3.122 1.00 0.00 H new ATOM 0 HB2 GLU A 57 -14.952 9.312 4.966 1.00 0.00 H new ATOM 0 HB3 GLU A 57 -15.197 8.330 3.535 1.00 0.00 H new ATOM 0 HG2 GLU A 57 -13.349 6.870 4.138 1.00 0.00 H new ATOM 0 HG3 GLU A 57 -12.889 7.919 5.465 1.00 0.00 H new ATOM 903 N MET A 58 -11.298 9.176 4.382 1.00 0.00 N ATOM 904 CA MET A 58 -10.117 9.453 5.192 1.00 0.00 C ATOM 905 C MET A 58 -9.285 10.574 4.578 1.00 0.00 C ATOM 906 O MET A 58 -8.707 11.392 5.292 1.00 0.00 O ATOM 907 CB MET A 58 -9.265 8.190 5.336 1.00 0.00 C ATOM 908 CG MET A 58 -9.886 7.137 6.238 1.00 0.00 C ATOM 909 SD MET A 58 -9.598 7.462 7.987 1.00 0.00 S ATOM 910 CE MET A 58 -7.919 6.865 8.171 1.00 0.00 C ATOM 0 H MET A 58 -11.271 8.285 3.887 1.00 0.00 H new ATOM 0 HA MET A 58 -10.451 9.773 6.179 1.00 0.00 H new ATOM 0 HB2 MET A 58 -9.100 7.759 4.349 1.00 0.00 H new ATOM 0 HB3 MET A 58 -8.287 8.465 5.732 1.00 0.00 H new ATOM 0 HG2 MET A 58 -10.959 7.093 6.053 1.00 0.00 H new ATOM 0 HG3 MET A 58 -9.478 6.159 5.982 1.00 0.00 H new ATOM 0 HE1 MET A 58 -7.584 7.031 9.195 1.00 0.00 H new ATOM 0 HE2 MET A 58 -7.885 5.799 7.946 1.00 0.00 H new ATOM 0 HE3 MET A 58 -7.265 7.401 7.484 1.00 0.00 H new ATOM 920 N GLN A 59 -9.233 10.606 3.250 1.00 0.00 N ATOM 921 CA GLN A 59 -8.471 11.628 2.541 1.00 0.00 C ATOM 922 C GLN A 59 -9.136 12.993 2.674 1.00 0.00 C ATOM 923 O GLN A 59 -8.477 13.989 2.973 1.00 0.00 O ATOM 924 CB GLN A 59 -8.333 11.257 1.064 1.00 0.00 C ATOM 925 CG GLN A 59 -7.127 10.380 0.766 1.00 0.00 C ATOM 926 CD GLN A 59 -6.429 10.764 -0.523 1.00 0.00 C ATOM 927 OE1 GLN A 59 -5.652 11.719 -0.560 1.00 0.00 O ATOM 928 NE2 GLN A 59 -6.702 10.021 -1.589 1.00 0.00 N ATOM 0 H GLN A 59 -9.709 9.937 2.644 1.00 0.00 H new ATOM 0 HA GLN A 59 -7.479 11.682 2.989 1.00 0.00 H new ATOM 0 HB2 GLN A 59 -9.237 10.739 0.742 1.00 0.00 H new ATOM 0 HB3 GLN A 59 -8.262 12.171 0.474 1.00 0.00 H new ATOM 0 HG2 GLN A 59 -6.419 10.449 1.592 1.00 0.00 H new ATOM 0 HG3 GLN A 59 -7.446 9.339 0.706 1.00 0.00 H new ATOM 0 HE21 GLN A 59 -7.352 9.239 -1.513 1.00 0.00 H new ATOM 0 HE22 GLN A 59 -6.261 10.232 -2.484 1.00 0.00 H new ATOM 937 N ARG A 60 -10.446 13.033 2.450 1.00 0.00 N ATOM 938 CA ARG A 60 -11.200 14.277 2.545 1.00 0.00 C ATOM 939 C ARG A 60 -11.236 14.783 3.983 1.00 0.00 C ATOM 940 O ARG A 60 -11.133 15.984 4.232 1.00 0.00 O ATOM 941 CB ARG A 60 -12.626 14.074 2.027 1.00 0.00 C ATOM 942 CG ARG A 60 -13.531 13.347 3.008 1.00 0.00 C ATOM 943 CD ARG A 60 -14.870 12.999 2.377 1.00 0.00 C ATOM 944 NE ARG A 60 -15.866 12.624 3.377 1.00 0.00 N ATOM 945 CZ ARG A 60 -16.585 13.505 4.063 1.00 0.00 C ATOM 946 NH1 ARG A 60 -16.420 14.805 3.858 1.00 0.00 N ATOM 947 NH2 ARG A 60 -17.472 13.087 4.958 1.00 0.00 N ATOM 0 H ARG A 60 -11.007 12.218 2.202 1.00 0.00 H new ATOM 0 HA ARG A 60 -10.700 15.024 1.929 1.00 0.00 H new ATOM 0 HB2 ARG A 60 -13.061 15.046 1.795 1.00 0.00 H new ATOM 0 HB3 ARG A 60 -12.588 13.511 1.094 1.00 0.00 H new ATOM 0 HG2 ARG A 60 -13.041 12.436 3.350 1.00 0.00 H new ATOM 0 HG3 ARG A 60 -13.693 13.971 3.887 1.00 0.00 H new ATOM 0 HD2 ARG A 60 -15.234 13.853 1.805 1.00 0.00 H new ATOM 0 HD3 ARG A 60 -14.736 12.178 1.673 1.00 0.00 H new ATOM 0 HE ARG A 60 -16.018 11.632 3.558 1.00 0.00 H new ATOM 0 HH11 ARG A 60 -15.739 15.131 3.172 1.00 0.00 H new ATOM 0 HH12 ARG A 60 -16.974 15.479 4.387 1.00 0.00 H new ATOM 0 HH21 ARG A 60 -17.602 12.088 5.119 1.00 0.00 H new ATOM 0 HH22 ARG A 60 -18.024 13.765 5.484 1.00 0.00 H new ATOM 961 N SER A 61 -11.384 13.859 4.927 1.00 0.00 N ATOM 962 CA SER A 61 -11.439 14.213 6.340 1.00 0.00 C ATOM 963 C SER A 61 -10.047 14.175 6.964 1.00 0.00 C ATOM 964 O SER A 61 -9.137 13.532 6.441 1.00 0.00 O ATOM 965 CB SER A 61 -12.372 13.260 7.090 1.00 0.00 C ATOM 966 OG SER A 61 -13.133 13.951 8.064 1.00 0.00 O ATOM 0 H SER A 61 -11.468 12.860 4.739 1.00 0.00 H new ATOM 0 HA SER A 61 -11.827 15.228 6.420 1.00 0.00 H new ATOM 0 HB2 SER A 61 -13.041 12.770 6.383 1.00 0.00 H new ATOM 0 HB3 SER A 61 -11.786 12.476 7.571 1.00 0.00 H new ATOM 0 HG SER A 61 -13.722 13.320 8.527 1.00 0.00 H new ATOM 972 N GLY A 62 -9.889 14.870 8.086 1.00 0.00 N ATOM 973 CA GLY A 62 -8.606 14.904 8.764 1.00 0.00 C ATOM 974 C GLY A 62 -7.785 16.122 8.389 1.00 0.00 C ATOM 975 O GLY A 62 -8.099 16.842 7.441 1.00 0.00 O ATOM 0 H GLY A 62 -10.627 15.410 8.538 1.00 0.00 H new ATOM 0 HA2 GLY A 62 -8.768 14.896 9.842 1.00 0.00 H new ATOM 0 HA3 GLY A 62 -8.045 14.002 8.519 1.00 0.00 H new ATOM 979 N PRO A 63 -6.706 16.368 9.146 1.00 0.00 N ATOM 980 CA PRO A 63 -5.815 17.509 8.908 1.00 0.00 C ATOM 981 C PRO A 63 -5.002 17.353 7.627 1.00 0.00 C ATOM 982 O PRO A 63 -4.240 16.398 7.477 1.00 0.00 O ATOM 983 CB PRO A 63 -4.894 17.501 10.130 1.00 0.00 C ATOM 984 CG PRO A 63 -4.898 16.086 10.599 1.00 0.00 C ATOM 985 CD PRO A 63 -6.270 15.553 10.292 1.00 0.00 C ATOM 0 HA PRO A 63 -6.369 18.439 8.781 1.00 0.00 H new ATOM 0 HB2 PRO A 63 -3.888 17.829 9.869 1.00 0.00 H new ATOM 0 HB3 PRO A 63 -5.258 18.176 10.905 1.00 0.00 H new ATOM 0 HG2 PRO A 63 -4.130 15.504 10.090 1.00 0.00 H new ATOM 0 HG3 PRO A 63 -4.686 16.028 11.667 1.00 0.00 H new ATOM 0 HD2 PRO A 63 -6.242 14.492 10.043 1.00 0.00 H new ATOM 0 HD3 PRO A 63 -6.943 15.663 11.142 1.00 0.00 H new ATOM 993 N SER A 64 -5.171 18.296 6.706 1.00 0.00 N ATOM 994 CA SER A 64 -4.455 18.261 5.436 1.00 0.00 C ATOM 995 C SER A 64 -4.057 19.666 4.998 1.00 0.00 C ATOM 996 O SER A 64 -4.510 20.658 5.568 1.00 0.00 O ATOM 997 CB SER A 64 -5.319 17.603 4.357 1.00 0.00 C ATOM 998 OG SER A 64 -5.689 16.289 4.732 1.00 0.00 O ATOM 0 H SER A 64 -5.797 19.094 6.815 1.00 0.00 H new ATOM 0 HA SER A 64 -3.548 17.672 5.574 1.00 0.00 H new ATOM 0 HB2 SER A 64 -6.214 18.202 4.188 1.00 0.00 H new ATOM 0 HB3 SER A 64 -4.771 17.575 3.415 1.00 0.00 H new ATOM 0 HG SER A 64 -6.242 15.891 4.027 1.00 0.00 H new ATOM 1004 N SER A 65 -3.204 19.743 3.981 1.00 0.00 N ATOM 1005 CA SER A 65 -2.740 21.027 3.467 1.00 0.00 C ATOM 1006 C SER A 65 -3.786 21.657 2.554 1.00 0.00 C ATOM 1007 O SER A 65 -4.001 21.203 1.431 1.00 0.00 O ATOM 1008 CB SER A 65 -1.424 20.851 2.709 1.00 0.00 C ATOM 1009 OG SER A 65 -0.555 21.948 2.931 1.00 0.00 O ATOM 0 H SER A 65 -2.820 18.931 3.497 1.00 0.00 H new ATOM 0 HA SER A 65 -2.576 21.692 4.315 1.00 0.00 H new ATOM 0 HB2 SER A 65 -0.938 19.929 3.027 1.00 0.00 H new ATOM 0 HB3 SER A 65 -1.626 20.753 1.642 1.00 0.00 H new ATOM 0 HG SER A 65 0.280 21.809 2.436 1.00 0.00 H new ATOM 1015 N GLY A 66 -4.436 22.708 3.045 1.00 0.00 N ATOM 1016 CA GLY A 66 -5.453 23.385 2.262 1.00 0.00 C ATOM 1017 C GLY A 66 -6.182 24.451 3.054 1.00 0.00 C ATOM 1018 O GLY A 66 -6.434 24.284 4.247 1.00 0.00 O ATOM 0 H GLY A 66 -4.276 23.103 3.972 1.00 0.00 H new ATOM 0 HA2 GLY A 66 -4.990 23.841 1.387 1.00 0.00 H new ATOM 0 HA3 GLY A 66 -6.173 22.653 1.897 1.00 0.00 H new TER 1022 GLY A 66