USER MOD reduce.3.24.130724 H: found=0, std=0, add=846, rem=0, adj=27 USER MOD reduce.3.24.130724 removed 846 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 106 TYR OH : rot 180:sc= 0 USER MOD Set 1.2: A 108 GLN : amide:sc= -0.0635 K(o=-0.063,f=-0.63!) USER MOD Set 2.1: A 20 HIS : no HD1:sc= -0.708 K(o=-0.1,f=-4.5!) USER MOD Set 2.2: A 92 LYS NZ :NH3+ 158:sc= 0.604 (180deg=0) USER MOD Set 3.1: A 23 SER OG : rot 92:sc= 0.477 USER MOD Set 3.2: A 52 LYS NZ :NH3+ -133:sc= -0.427 (180deg=-1.64!) USER MOD Single : A 1 MET CE :methyl -165:sc= -0.029 (180deg=-0.34) USER MOD Single : A 1 MET N :NH3+ -164:sc= -0.0188 (180deg=-0.325) USER MOD Single : A 4 MET CE :methyl -121:sc= -0.415 (180deg=-3.37!) USER MOD Single : A 6 LYS NZ :NH3+ 144:sc= -0.914 (180deg=-2.66!) USER MOD Single : A 11 LYS NZ :NH3+ 144:sc= -1.54 (180deg=-3.36!) USER MOD Single : A 16 GLN :FLIP amide:sc= 0 F(o=-0.84,f=0) USER MOD Single : A 19 SER OG : rot -35:sc= 0.526 USER MOD Single : A 24 MET CE :methyl -157:sc= -0.167 (180deg=-0.696) USER MOD Single : A 29 GLN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 31 TYR OH : rot 176:sc= 0.312 USER MOD Single : A 32 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Single : A 40 THR OG1 : rot 180:sc= 0.113 USER MOD Single : A 42 HIS : no HD1:sc= 0 X(o=0,f=-0.026) USER MOD Single : A 45 GLN : amide:sc= -0.212 K(o=-0.21,f=-4.4!) USER MOD Single : A 48 TYR OH : rot 180:sc= 0 USER MOD Single : A 51 SER OG : rot 180:sc= 0 USER MOD Single : A 54 LYS NZ :NH3+ 163:sc= 0.0423 (180deg=0) USER MOD Single : A 64 SER OG : rot -80:sc= 0.434 USER MOD Single : A 66 GLN : amide:sc=-0.00104 X(o=-0.001,f=-0.22) USER MOD Single : A 69 TYR OH : rot 180:sc= 0 USER MOD Single : A 70 TYR OH : rot 180:sc= 0 USER MOD Single : A 79 TYR OH : rot 180:sc= 0 USER MOD Single : A 82 SER OG : rot -88:sc= 0.467 USER MOD Single : A 83 SER OG : rot 180:sc= 0 USER MOD Single : A 89 GLN : amide:sc= -3.27! C(o=-3.3!,f=-3.2!) USER MOD Single : A 90 THR OG1 : rot 180:sc= 0 USER MOD Single : A 95 LYS NZ :NH3+ -164:sc= -0.0376 (180deg=-0.296) USER MOD Single : A 99 LYS NZ :NH3+ -165:sc= -0.0354 (180deg=-0.268) USER MOD Single : A 100 THR OG1 : rot -74:sc= 0.466 USER MOD Single : A 102 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD ----------------------------------------------------------------- ATOM 1 N MET A 1 7.112 15.719 -4.897 1.00 0.00 N ATOM 2 CA MET A 1 8.152 15.129 -5.782 1.00 0.00 C ATOM 3 C MET A 1 9.536 15.232 -5.153 1.00 0.00 C ATOM 4 O MET A 1 9.919 16.291 -4.648 1.00 0.00 O ATOM 5 CB MET A 1 8.131 15.864 -7.126 1.00 0.00 C ATOM 6 CG MET A 1 6.827 15.703 -7.896 1.00 0.00 C ATOM 7 SD MET A 1 6.815 16.601 -9.463 1.00 0.00 S ATOM 8 CE MET A 1 6.853 18.304 -8.899 1.00 0.00 C ATOM 0 H1 MET A 1 6.171 15.402 -5.208 1.00 0.00 H new ATOM 0 H2 MET A 1 7.275 15.411 -3.917 1.00 0.00 H new ATOM 0 H3 MET A 1 7.162 16.757 -4.947 1.00 0.00 H new ATOM 0 HA MET A 1 7.933 14.071 -5.928 1.00 0.00 H new ATOM 0 HB2 MET A 1 8.310 16.925 -6.952 1.00 0.00 H new ATOM 0 HB3 MET A 1 8.953 15.499 -7.742 1.00 0.00 H new ATOM 0 HG2 MET A 1 6.654 14.644 -8.089 1.00 0.00 H new ATOM 0 HG3 MET A 1 6.001 16.053 -7.277 1.00 0.00 H new ATOM 0 HE1 MET A 1 6.584 18.966 -9.722 1.00 0.00 H new ATOM 0 HE2 MET A 1 6.143 18.433 -8.082 1.00 0.00 H new ATOM 0 HE3 MET A 1 7.856 18.549 -8.549 1.00 0.00 H new ATOM 20 N GLY A 2 10.280 14.125 -5.192 1.00 0.00 N ATOM 21 CA GLY A 2 11.622 14.103 -4.627 1.00 0.00 C ATOM 22 C GLY A 2 11.948 12.808 -3.897 1.00 0.00 C ATOM 23 O GLY A 2 11.055 11.984 -3.683 1.00 0.00 O ATOM 0 H GLY A 2 9.977 13.243 -5.605 1.00 0.00 H new ATOM 0 HA2 GLY A 2 12.348 14.254 -5.426 1.00 0.00 H new ATOM 0 HA3 GLY A 2 11.731 14.939 -3.936 1.00 0.00 H new ATOM 27 N PRO A 3 13.232 12.592 -3.495 1.00 0.00 N ATOM 28 CA PRO A 3 13.648 11.386 -2.788 1.00 0.00 C ATOM 29 C PRO A 3 13.410 11.478 -1.283 1.00 0.00 C ATOM 30 O PRO A 3 13.677 12.510 -0.660 1.00 0.00 O ATOM 31 CB PRO A 3 15.147 11.280 -3.094 1.00 0.00 C ATOM 32 CG PRO A 3 15.565 12.586 -3.696 1.00 0.00 C ATOM 33 CD PRO A 3 14.373 13.501 -3.695 1.00 0.00 C ATOM 0 HA PRO A 3 13.077 10.515 -3.109 1.00 0.00 H new ATOM 0 HB2 PRO A 3 15.713 11.076 -2.185 1.00 0.00 H new ATOM 0 HB3 PRO A 3 15.343 10.458 -3.782 1.00 0.00 H new ATOM 0 HG2 PRO A 3 16.383 13.025 -3.124 1.00 0.00 H new ATOM 0 HG3 PRO A 3 15.930 12.438 -4.712 1.00 0.00 H new ATOM 0 HD2 PRO A 3 14.438 14.242 -2.898 1.00 0.00 H new ATOM 0 HD3 PRO A 3 14.288 14.049 -4.634 1.00 0.00 H new ATOM 41 N MET A 4 12.897 10.388 -0.714 1.00 0.00 N ATOM 42 CA MET A 4 12.599 10.313 0.718 1.00 0.00 C ATOM 43 C MET A 4 12.698 8.857 1.219 1.00 0.00 C ATOM 44 O MET A 4 12.642 7.935 0.400 1.00 0.00 O ATOM 45 CB MET A 4 11.206 10.922 0.999 1.00 0.00 C ATOM 46 CG MET A 4 10.141 10.593 -0.046 1.00 0.00 C ATOM 47 SD MET A 4 9.522 8.904 0.057 1.00 0.00 S ATOM 48 CE MET A 4 8.571 8.978 1.573 1.00 0.00 C ATOM 0 H MET A 4 12.677 9.535 -1.229 1.00 0.00 H new ATOM 0 HA MET A 4 13.338 10.895 1.268 1.00 0.00 H new ATOM 0 HB2 MET A 4 10.861 10.571 1.972 1.00 0.00 H new ATOM 0 HB3 MET A 4 11.306 12.005 1.067 1.00 0.00 H new ATOM 0 HG2 MET A 4 9.306 11.284 0.069 1.00 0.00 H new ATOM 0 HG3 MET A 4 10.557 10.758 -1.040 1.00 0.00 H new ATOM 0 HE1 MET A 4 8.962 8.250 2.284 1.00 0.00 H new ATOM 0 HE2 MET A 4 8.645 9.978 2.001 1.00 0.00 H new ATOM 0 HE3 MET A 4 7.527 8.752 1.359 1.00 0.00 H new ATOM 58 N PRO A 5 12.874 8.619 2.564 1.00 0.00 N ATOM 59 CA PRO A 5 12.999 7.257 3.135 1.00 0.00 C ATOM 60 C PRO A 5 11.938 6.275 2.635 1.00 0.00 C ATOM 61 O PRO A 5 10.780 6.643 2.430 1.00 0.00 O ATOM 62 CB PRO A 5 12.835 7.493 4.635 1.00 0.00 C ATOM 63 CG PRO A 5 13.372 8.860 4.853 1.00 0.00 C ATOM 64 CD PRO A 5 12.992 9.649 3.631 1.00 0.00 C ATOM 0 HA PRO A 5 13.944 6.796 2.847 1.00 0.00 H new ATOM 0 HB2 PRO A 5 11.790 7.424 4.937 1.00 0.00 H new ATOM 0 HB3 PRO A 5 13.384 6.753 5.216 1.00 0.00 H new ATOM 0 HG2 PRO A 5 12.951 9.307 5.754 1.00 0.00 H new ATOM 0 HG3 PRO A 5 14.454 8.839 4.984 1.00 0.00 H new ATOM 0 HD2 PRO A 5 12.053 10.183 3.776 1.00 0.00 H new ATOM 0 HD3 PRO A 5 13.748 10.394 3.385 1.00 0.00 H new ATOM 72 N LYS A 6 12.360 5.026 2.431 1.00 0.00 N ATOM 73 CA LYS A 6 11.476 3.968 1.940 1.00 0.00 C ATOM 74 C LYS A 6 10.675 3.338 3.077 1.00 0.00 C ATOM 75 O LYS A 6 10.982 3.542 4.255 1.00 0.00 O ATOM 76 CB LYS A 6 12.294 2.882 1.232 1.00 0.00 C ATOM 77 CG LYS A 6 13.246 3.422 0.170 1.00 0.00 C ATOM 78 CD LYS A 6 14.028 2.311 -0.533 1.00 0.00 C ATOM 79 CE LYS A 6 15.254 1.860 0.261 1.00 0.00 C ATOM 80 NZ LYS A 6 14.895 1.123 1.506 1.00 0.00 N ATOM 0 H LYS A 6 13.318 4.721 2.600 1.00 0.00 H new ATOM 0 HA LYS A 6 10.778 4.421 1.236 1.00 0.00 H new ATOM 0 HB2 LYS A 6 12.869 2.331 1.976 1.00 0.00 H new ATOM 0 HB3 LYS A 6 11.611 2.171 0.767 1.00 0.00 H new ATOM 0 HG2 LYS A 6 12.678 3.986 -0.570 1.00 0.00 H new ATOM 0 HG3 LYS A 6 13.946 4.118 0.633 1.00 0.00 H new ATOM 0 HD2 LYS A 6 13.371 1.457 -0.696 1.00 0.00 H new ATOM 0 HD3 LYS A 6 14.345 2.661 -1.515 1.00 0.00 H new ATOM 0 HE2 LYS A 6 15.874 1.221 -0.368 1.00 0.00 H new ATOM 0 HE3 LYS A 6 15.855 2.732 0.520 1.00 0.00 H new ATOM 0 HZ1 LYS A 6 15.588 0.365 1.673 1.00 0.00 H new ATOM 0 HZ2 LYS A 6 14.900 1.780 2.312 1.00 0.00 H new ATOM 0 HZ3 LYS A 6 13.947 0.709 1.403 1.00 0.00 H new ATOM 94 N LEU A 7 9.653 2.561 2.708 1.00 0.00 N ATOM 95 CA LEU A 7 8.803 1.876 3.681 1.00 0.00 C ATOM 96 C LEU A 7 9.311 0.460 3.926 1.00 0.00 C ATOM 97 O LEU A 7 9.320 -0.020 5.062 1.00 0.00 O ATOM 98 CB LEU A 7 7.351 1.810 3.185 1.00 0.00 C ATOM 99 CG LEU A 7 6.667 3.156 2.912 1.00 0.00 C ATOM 100 CD1 LEU A 7 5.385 2.942 2.126 1.00 0.00 C ATOM 101 CD2 LEU A 7 6.377 3.903 4.210 1.00 0.00 C ATOM 0 H LEU A 7 9.395 2.391 1.736 1.00 0.00 H new ATOM 0 HA LEU A 7 8.838 2.442 4.612 1.00 0.00 H new ATOM 0 HB2 LEU A 7 7.329 1.222 2.267 1.00 0.00 H new ATOM 0 HB3 LEU A 7 6.760 1.269 3.925 1.00 0.00 H new ATOM 0 HG LEU A 7 7.348 3.768 2.320 1.00 0.00 H new ATOM 0 HD11 LEU A 7 4.908 3.904 1.938 1.00 0.00 H new ATOM 0 HD12 LEU A 7 5.617 2.460 1.176 1.00 0.00 H new ATOM 0 HD13 LEU A 7 4.709 2.308 2.699 1.00 0.00 H new ATOM 0 HD21 LEU A 7 5.892 4.853 3.983 1.00 0.00 H new ATOM 0 HD22 LEU A 7 5.720 3.301 4.837 1.00 0.00 H new ATOM 0 HD23 LEU A 7 7.312 4.090 4.739 1.00 0.00 H new ATOM 113 N ALA A 8 9.723 -0.201 2.840 1.00 0.00 N ATOM 114 CA ALA A 8 10.228 -1.570 2.903 1.00 0.00 C ATOM 115 C ALA A 8 11.291 -1.811 1.829 1.00 0.00 C ATOM 116 O ALA A 8 11.728 -0.871 1.161 1.00 0.00 O ATOM 117 CB ALA A 8 9.076 -2.552 2.748 1.00 0.00 C ATOM 0 H ALA A 8 9.715 0.197 1.901 1.00 0.00 H new ATOM 0 HA ALA A 8 10.696 -1.724 3.875 1.00 0.00 H new ATOM 0 HB1 ALA A 8 9.458 -3.572 2.796 1.00 0.00 H new ATOM 0 HB2 ALA A 8 8.355 -2.397 3.551 1.00 0.00 H new ATOM 0 HB3 ALA A 8 8.588 -2.392 1.786 1.00 0.00 H new ATOM 123 N ASP A 9 11.702 -3.074 1.672 1.00 0.00 N ATOM 124 CA ASP A 9 12.714 -3.439 0.683 1.00 0.00 C ATOM 125 C ASP A 9 12.165 -4.432 -0.345 1.00 0.00 C ATOM 126 O ASP A 9 12.575 -4.410 -1.509 1.00 0.00 O ATOM 127 CB ASP A 9 13.961 -4.013 1.372 1.00 0.00 C ATOM 128 CG ASP A 9 13.673 -5.239 2.226 1.00 0.00 C ATOM 129 OD1 ASP A 9 12.892 -5.125 3.194 1.00 0.00 O ATOM 130 OD2 ASP A 9 14.238 -6.311 1.928 1.00 0.00 O ATOM 0 H ASP A 9 11.347 -3.859 2.219 1.00 0.00 H new ATOM 0 HA ASP A 9 12.995 -2.531 0.149 1.00 0.00 H new ATOM 0 HB2 ASP A 9 14.698 -4.274 0.613 1.00 0.00 H new ATOM 0 HB3 ASP A 9 14.408 -3.241 1.998 1.00 0.00 H new ATOM 135 N ARG A 10 11.240 -5.299 0.086 1.00 0.00 N ATOM 136 CA ARG A 10 10.641 -6.297 -0.808 1.00 0.00 C ATOM 137 C ARG A 10 9.114 -6.264 -0.732 1.00 0.00 C ATOM 138 O ARG A 10 8.536 -5.788 0.252 1.00 0.00 O ATOM 139 CB ARG A 10 11.137 -7.707 -0.471 1.00 0.00 C ATOM 140 CG ARG A 10 12.646 -7.873 -0.538 1.00 0.00 C ATOM 141 CD ARG A 10 13.068 -9.279 -0.141 1.00 0.00 C ATOM 142 NE ARG A 10 14.523 -9.444 -0.170 1.00 0.00 N ATOM 143 CZ ARG A 10 15.159 -10.576 0.150 1.00 0.00 C ATOM 144 NH1 ARG A 10 14.483 -11.657 0.527 1.00 0.00 N ATOM 145 NH2 ARG A 10 16.483 -10.623 0.091 1.00 0.00 N ATOM 0 H ARG A 10 10.892 -5.329 1.044 1.00 0.00 H new ATOM 0 HA ARG A 10 10.949 -6.045 -1.823 1.00 0.00 H new ATOM 0 HB2 ARG A 10 10.799 -7.968 0.532 1.00 0.00 H new ATOM 0 HB3 ARG A 10 10.675 -8.416 -1.158 1.00 0.00 H new ATOM 0 HG2 ARG A 10 12.992 -7.659 -1.549 1.00 0.00 H new ATOM 0 HG3 ARG A 10 13.123 -7.148 0.122 1.00 0.00 H new ATOM 0 HD2 ARG A 10 12.698 -9.499 0.860 1.00 0.00 H new ATOM 0 HD3 ARG A 10 12.608 -10.000 -0.817 1.00 0.00 H new ATOM 0 HE ARG A 10 15.088 -8.643 -0.453 1.00 0.00 H new ATOM 0 HH11 ARG A 10 13.464 -11.630 0.575 1.00 0.00 H new ATOM 0 HH12 ARG A 10 14.983 -12.513 0.768 1.00 0.00 H new ATOM 0 HH21 ARG A 10 17.010 -9.799 -0.197 1.00 0.00 H new ATOM 0 HH22 ARG A 10 16.974 -11.483 0.334 1.00 0.00 H new ATOM 159 N LYS A 11 8.474 -6.773 -1.792 1.00 0.00 N ATOM 160 CA LYS A 11 7.014 -6.814 -1.890 1.00 0.00 C ATOM 161 C LYS A 11 6.535 -8.053 -2.651 1.00 0.00 C ATOM 162 O LYS A 11 7.251 -8.581 -3.505 1.00 0.00 O ATOM 163 CB LYS A 11 6.494 -5.528 -2.559 1.00 0.00 C ATOM 164 CG LYS A 11 7.405 -4.969 -3.654 1.00 0.00 C ATOM 165 CD LYS A 11 7.137 -5.589 -5.014 1.00 0.00 C ATOM 166 CE LYS A 11 8.180 -5.174 -6.043 1.00 0.00 C ATOM 167 NZ LYS A 11 8.096 -3.724 -6.373 1.00 0.00 N ATOM 0 H LYS A 11 8.954 -7.166 -2.602 1.00 0.00 H new ATOM 0 HA LYS A 11 6.609 -6.877 -0.880 1.00 0.00 H new ATOM 0 HB2 LYS A 11 5.512 -5.728 -2.988 1.00 0.00 H new ATOM 0 HB3 LYS A 11 6.357 -4.765 -1.793 1.00 0.00 H new ATOM 0 HG2 LYS A 11 7.268 -3.890 -3.718 1.00 0.00 H new ATOM 0 HG3 LYS A 11 8.445 -5.143 -3.379 1.00 0.00 H new ATOM 0 HD2 LYS A 11 7.129 -6.675 -4.923 1.00 0.00 H new ATOM 0 HD3 LYS A 11 6.147 -5.291 -5.360 1.00 0.00 H new ATOM 0 HE2 LYS A 11 9.175 -5.401 -5.661 1.00 0.00 H new ATOM 0 HE3 LYS A 11 8.045 -5.761 -6.952 1.00 0.00 H new ATOM 0 HZ1 LYS A 11 9.053 -3.348 -6.533 1.00 0.00 H new ATOM 0 HZ2 LYS A 11 7.526 -3.596 -7.233 1.00 0.00 H new ATOM 0 HZ3 LYS A 11 7.651 -3.214 -5.584 1.00 0.00 H new ATOM 181 N LEU A 12 5.319 -8.509 -2.331 1.00 0.00 N ATOM 182 CA LEU A 12 4.731 -9.687 -2.977 1.00 0.00 C ATOM 183 C LEU A 12 3.904 -9.283 -4.191 1.00 0.00 C ATOM 184 O LEU A 12 3.254 -8.236 -4.184 1.00 0.00 O ATOM 185 CB LEU A 12 3.831 -10.481 -2.002 1.00 0.00 C ATOM 186 CG LEU A 12 4.523 -11.282 -0.873 1.00 0.00 C ATOM 187 CD1 LEU A 12 5.560 -12.252 -1.433 1.00 0.00 C ATOM 188 CD2 LEU A 12 5.154 -10.358 0.155 1.00 0.00 C ATOM 0 H LEU A 12 4.721 -8.078 -1.626 1.00 0.00 H new ATOM 0 HA LEU A 12 5.559 -10.322 -3.291 1.00 0.00 H new ATOM 0 HB2 LEU A 12 3.138 -9.779 -1.538 1.00 0.00 H new ATOM 0 HB3 LEU A 12 3.233 -11.178 -2.590 1.00 0.00 H new ATOM 0 HG LEU A 12 3.751 -11.866 -0.372 1.00 0.00 H new ATOM 0 HD11 LEU A 12 6.027 -12.798 -0.614 1.00 0.00 H new ATOM 0 HD12 LEU A 12 5.073 -12.956 -2.107 1.00 0.00 H new ATOM 0 HD13 LEU A 12 6.322 -11.695 -1.978 1.00 0.00 H new ATOM 0 HD21 LEU A 12 5.631 -10.952 0.934 1.00 0.00 H new ATOM 0 HD22 LEU A 12 5.900 -9.729 -0.330 1.00 0.00 H new ATOM 0 HD23 LEU A 12 4.383 -9.728 0.600 1.00 0.00 H new ATOM 200 N CYS A 13 3.934 -10.138 -5.220 1.00 0.00 N ATOM 201 CA CYS A 13 3.189 -9.913 -6.462 1.00 0.00 C ATOM 202 C CYS A 13 2.612 -11.232 -6.979 1.00 0.00 C ATOM 203 O CYS A 13 3.017 -12.306 -6.529 1.00 0.00 O ATOM 204 CB CYS A 13 4.099 -9.308 -7.537 1.00 0.00 C ATOM 205 SG CYS A 13 4.814 -7.685 -7.115 1.00 0.00 S ATOM 0 H CYS A 13 4.474 -11.003 -5.214 1.00 0.00 H new ATOM 0 HA CYS A 13 2.378 -9.218 -6.247 1.00 0.00 H new ATOM 0 HB2 CYS A 13 4.912 -10.005 -7.738 1.00 0.00 H new ATOM 0 HB3 CYS A 13 3.529 -9.208 -8.461 1.00 0.00 H new ATOM 210 N ALA A 14 1.680 -11.145 -7.938 1.00 0.00 N ATOM 211 CA ALA A 14 1.066 -12.338 -8.529 1.00 0.00 C ATOM 212 C ALA A 14 2.034 -13.002 -9.502 1.00 0.00 C ATOM 213 O ALA A 14 2.082 -14.230 -9.608 1.00 0.00 O ATOM 214 CB ALA A 14 -0.237 -11.985 -9.231 1.00 0.00 C ATOM 0 H ALA A 14 1.337 -10.263 -8.319 1.00 0.00 H new ATOM 0 HA ALA A 14 0.839 -13.041 -7.727 1.00 0.00 H new ATOM 0 HB1 ALA A 14 -0.674 -12.886 -9.662 1.00 0.00 H new ATOM 0 HB2 ALA A 14 -0.932 -11.553 -8.512 1.00 0.00 H new ATOM 0 HB3 ALA A 14 -0.039 -11.263 -10.023 1.00 0.00 H new ATOM 220 N ASP A 15 2.813 -12.170 -10.194 1.00 0.00 N ATOM 221 CA ASP A 15 3.807 -12.642 -11.153 1.00 0.00 C ATOM 222 C ASP A 15 5.152 -11.965 -10.903 1.00 0.00 C ATOM 223 O ASP A 15 5.239 -11.013 -10.123 1.00 0.00 O ATOM 224 CB ASP A 15 3.344 -12.408 -12.603 1.00 0.00 C ATOM 225 CG ASP A 15 2.966 -10.963 -12.921 1.00 0.00 C ATOM 226 OD1 ASP A 15 2.983 -10.110 -12.008 1.00 0.00 O ATOM 227 OD2 ASP A 15 2.644 -10.689 -14.095 1.00 0.00 O ATOM 0 H ASP A 15 2.772 -11.155 -10.105 1.00 0.00 H new ATOM 0 HA ASP A 15 3.924 -13.716 -11.012 1.00 0.00 H new ATOM 0 HB2 ASP A 15 4.139 -12.720 -13.280 1.00 0.00 H new ATOM 0 HB3 ASP A 15 2.485 -13.048 -12.805 1.00 0.00 H new ATOM 232 N GLN A 16 6.195 -12.466 -11.566 1.00 0.00 N ATOM 233 CA GLN A 16 7.549 -11.924 -11.413 1.00 0.00 C ATOM 234 C GLN A 16 7.677 -10.522 -12.021 1.00 0.00 C ATOM 235 O GLN A 16 8.656 -9.818 -11.763 1.00 0.00 O ATOM 236 CB GLN A 16 8.575 -12.862 -12.056 1.00 0.00 C ATOM 237 CG GLN A 16 8.521 -14.293 -11.533 1.00 0.00 C ATOM 238 CD GLN A 16 9.559 -15.230 -12.154 1.00 0.00 C ATOM 239 OE1 GLN A 16 10.422 -14.716 -13.035 1.00 0.00 O flip ATOM 240 NE2 GLN A 16 9.587 -16.419 -11.836 1.00 0.00 N flip ATOM 0 H GLN A 16 6.129 -13.249 -12.217 1.00 0.00 H new ATOM 0 HA GLN A 16 7.746 -11.845 -10.344 1.00 0.00 H new ATOM 0 HB2 GLN A 16 8.415 -12.874 -13.134 1.00 0.00 H new ATOM 0 HB3 GLN A 16 9.574 -12.462 -11.886 1.00 0.00 H new ATOM 0 HG2 GLN A 16 8.663 -14.278 -10.452 1.00 0.00 H new ATOM 0 HG3 GLN A 16 7.526 -14.698 -11.718 1.00 0.00 H new ATOM 0 HE21 GLN A 16 8.915 -16.782 -11.160 1.00 0.00 H new ATOM 0 HE22 GLN A 16 10.283 -17.041 -12.248 1.00 0.00 H new ATOM 249 N GLU A 17 6.687 -10.129 -12.825 1.00 0.00 N ATOM 250 CA GLU A 17 6.687 -8.815 -13.471 1.00 0.00 C ATOM 251 C GLU A 17 5.987 -7.766 -12.611 1.00 0.00 C ATOM 252 O GLU A 17 6.123 -6.566 -12.874 1.00 0.00 O ATOM 253 CB GLU A 17 5.989 -8.880 -14.841 1.00 0.00 C ATOM 254 CG GLU A 17 6.747 -9.670 -15.904 1.00 0.00 C ATOM 255 CD GLU A 17 6.748 -11.169 -15.657 1.00 0.00 C ATOM 256 OE1 GLU A 17 5.653 -11.770 -15.633 1.00 0.00 O ATOM 257 OE2 GLU A 17 7.846 -11.742 -15.491 1.00 0.00 O ATOM 0 H GLU A 17 5.873 -10.703 -13.045 1.00 0.00 H new ATOM 0 HA GLU A 17 7.730 -8.526 -13.602 1.00 0.00 H new ATOM 0 HB2 GLU A 17 5.003 -9.325 -14.711 1.00 0.00 H new ATOM 0 HB3 GLU A 17 5.834 -7.864 -15.204 1.00 0.00 H new ATOM 0 HG2 GLU A 17 6.303 -9.471 -16.879 1.00 0.00 H new ATOM 0 HG3 GLU A 17 7.777 -9.315 -15.944 1.00 0.00 H new ATOM 264 N CYS A 18 5.213 -8.229 -11.608 1.00 0.00 N ATOM 265 CA CYS A 18 4.443 -7.341 -10.718 1.00 0.00 C ATOM 266 C CYS A 18 3.487 -6.467 -11.535 1.00 0.00 C ATOM 267 O CYS A 18 3.141 -5.348 -11.142 1.00 0.00 O ATOM 268 CB CYS A 18 5.367 -6.477 -9.843 1.00 0.00 C ATOM 269 SG CYS A 18 6.237 -7.405 -8.538 1.00 0.00 S ATOM 0 H CYS A 18 5.106 -9.221 -11.395 1.00 0.00 H new ATOM 0 HA CYS A 18 3.854 -7.967 -10.047 1.00 0.00 H new ATOM 0 HB2 CYS A 18 6.105 -5.991 -10.482 1.00 0.00 H new ATOM 0 HB3 CYS A 18 4.776 -5.687 -9.380 1.00 0.00 H new ATOM 274 N SER A 19 3.079 -7.006 -12.685 1.00 0.00 N ATOM 275 CA SER A 19 2.176 -6.325 -13.603 1.00 0.00 C ATOM 276 C SER A 19 0.756 -6.890 -13.487 1.00 0.00 C ATOM 277 O SER A 19 -0.135 -6.535 -14.263 1.00 0.00 O ATOM 278 CB SER A 19 2.707 -6.479 -15.027 1.00 0.00 C ATOM 279 OG SER A 19 1.929 -5.742 -15.957 1.00 0.00 O ATOM 0 H SER A 19 3.369 -7.931 -13.003 1.00 0.00 H new ATOM 0 HA SER A 19 2.130 -5.266 -13.347 1.00 0.00 H new ATOM 0 HB2 SER A 19 3.742 -6.140 -15.069 1.00 0.00 H new ATOM 0 HB3 SER A 19 2.705 -7.533 -15.305 1.00 0.00 H new ATOM 0 HG SER A 19 0.989 -5.758 -15.682 1.00 0.00 H new ATOM 285 N HIS A 20 0.564 -7.775 -12.505 1.00 0.00 N ATOM 286 CA HIS A 20 -0.730 -8.408 -12.262 1.00 0.00 C ATOM 287 C HIS A 20 -1.351 -7.961 -10.930 1.00 0.00 C ATOM 288 O HIS A 20 -0.623 -7.660 -9.982 1.00 0.00 O ATOM 289 CB HIS A 20 -0.575 -9.931 -12.252 1.00 0.00 C ATOM 290 CG HIS A 20 -0.770 -10.613 -13.575 1.00 0.00 C ATOM 291 ND1 HIS A 20 -0.838 -11.979 -13.680 1.00 0.00 N ATOM 292 CD2 HIS A 20 -0.952 -10.133 -14.833 1.00 0.00 C ATOM 293 CE1 HIS A 20 -1.059 -12.319 -14.930 1.00 0.00 C ATOM 294 NE2 HIS A 20 -1.130 -11.218 -15.657 1.00 0.00 N ATOM 0 H HIS A 20 1.298 -8.070 -11.861 1.00 0.00 H new ATOM 0 HA HIS A 20 -1.395 -8.099 -13.069 1.00 0.00 H new ATOM 0 HB2 HIS A 20 0.421 -10.174 -11.882 1.00 0.00 H new ATOM 0 HB3 HIS A 20 -1.289 -10.346 -11.541 1.00 0.00 H new ATOM 0 HD2 HIS A 20 -0.956 -9.094 -15.129 1.00 0.00 H new ATOM 0 HE1 HIS A 20 -1.165 -13.328 -15.300 1.00 0.00 H new ATOM 0 HE2 HIS A 20 -1.290 -11.180 -16.664 1.00 0.00 H new ATOM 303 N PRO A 21 -2.714 -7.928 -10.828 1.00 0.00 N ATOM 304 CA PRO A 21 -3.406 -7.539 -9.608 1.00 0.00 C ATOM 305 C PRO A 21 -3.684 -8.739 -8.699 1.00 0.00 C ATOM 306 O PRO A 21 -4.415 -9.661 -9.075 1.00 0.00 O ATOM 307 CB PRO A 21 -4.714 -6.932 -10.132 1.00 0.00 C ATOM 308 CG PRO A 21 -4.917 -7.483 -11.514 1.00 0.00 C ATOM 309 CD PRO A 21 -3.689 -8.279 -11.878 1.00 0.00 C ATOM 0 HA PRO A 21 -2.821 -6.853 -8.995 1.00 0.00 H new ATOM 0 HB2 PRO A 21 -5.550 -7.194 -9.484 1.00 0.00 H new ATOM 0 HB3 PRO A 21 -4.655 -5.844 -10.153 1.00 0.00 H new ATOM 0 HG2 PRO A 21 -5.805 -8.114 -11.547 1.00 0.00 H new ATOM 0 HG3 PRO A 21 -5.074 -6.675 -12.228 1.00 0.00 H new ATOM 0 HD2 PRO A 21 -3.896 -9.349 -11.890 1.00 0.00 H new ATOM 0 HD3 PRO A 21 -3.321 -8.015 -12.869 1.00 0.00 H new ATOM 317 N ILE A 22 -3.087 -8.723 -7.504 1.00 0.00 N ATOM 318 CA ILE A 22 -3.258 -9.808 -6.537 1.00 0.00 C ATOM 319 C ILE A 22 -4.711 -9.906 -6.076 1.00 0.00 C ATOM 320 O ILE A 22 -5.396 -10.877 -6.384 1.00 0.00 O ATOM 321 CB ILE A 22 -2.345 -9.632 -5.296 1.00 0.00 C ATOM 322 CG1 ILE A 22 -0.878 -9.471 -5.726 1.00 0.00 C ATOM 323 CG2 ILE A 22 -2.501 -10.825 -4.345 1.00 0.00 C ATOM 324 CD1 ILE A 22 0.037 -8.982 -4.620 1.00 0.00 C ATOM 0 H ILE A 22 -2.480 -7.968 -7.184 1.00 0.00 H new ATOM 0 HA ILE A 22 -2.973 -10.727 -7.050 1.00 0.00 H new ATOM 0 HB ILE A 22 -2.648 -8.728 -4.768 1.00 0.00 H new ATOM 0 HG12 ILE A 22 -0.510 -10.430 -6.092 1.00 0.00 H new ATOM 0 HG13 ILE A 22 -0.829 -8.771 -6.560 1.00 0.00 H new ATOM 0 HG21 ILE A 22 -1.854 -10.687 -3.479 1.00 0.00 H new ATOM 0 HG22 ILE A 22 -3.538 -10.895 -4.016 1.00 0.00 H new ATOM 0 HG23 ILE A 22 -2.222 -11.742 -4.863 1.00 0.00 H new ATOM 0 HD11 ILE A 22 1.054 -8.894 -5.002 1.00 0.00 H new ATOM 0 HD12 ILE A 22 -0.305 -8.008 -4.269 1.00 0.00 H new ATOM 0 HD13 ILE A 22 0.020 -9.692 -3.793 1.00 0.00 H new ATOM 336 N SER A 23 -5.161 -8.901 -5.329 1.00 0.00 N ATOM 337 CA SER A 23 -6.521 -8.878 -4.809 1.00 0.00 C ATOM 338 C SER A 23 -7.190 -7.530 -5.066 1.00 0.00 C ATOM 339 O SER A 23 -6.516 -6.504 -5.171 1.00 0.00 O ATOM 340 CB SER A 23 -6.497 -9.197 -3.313 1.00 0.00 C ATOM 341 OG SER A 23 -5.526 -8.411 -2.643 1.00 0.00 O ATOM 0 H SER A 23 -4.599 -8.090 -5.071 1.00 0.00 H new ATOM 0 HA SER A 23 -7.109 -9.635 -5.329 1.00 0.00 H new ATOM 0 HB2 SER A 23 -7.481 -9.012 -2.882 1.00 0.00 H new ATOM 0 HB3 SER A 23 -6.279 -10.255 -3.166 1.00 0.00 H new ATOM 0 HG SER A 23 -5.942 -7.587 -2.314 1.00 0.00 H new ATOM 347 N MET A 24 -8.520 -7.550 -5.169 1.00 0.00 N ATOM 348 CA MET A 24 -9.302 -6.341 -5.420 1.00 0.00 C ATOM 349 C MET A 24 -10.054 -5.943 -4.155 1.00 0.00 C ATOM 350 O MET A 24 -10.810 -6.744 -3.598 1.00 0.00 O ATOM 351 CB MET A 24 -10.264 -6.600 -6.579 1.00 0.00 C ATOM 352 CG MET A 24 -10.915 -5.358 -7.154 1.00 0.00 C ATOM 353 SD MET A 24 -12.418 -4.863 -6.279 1.00 0.00 S ATOM 354 CE MET A 24 -13.521 -6.223 -6.663 1.00 0.00 C ATOM 0 H MET A 24 -9.080 -8.398 -5.081 1.00 0.00 H new ATOM 0 HA MET A 24 -8.643 -5.516 -5.693 1.00 0.00 H new ATOM 0 HB2 MET A 24 -9.722 -7.111 -7.375 1.00 0.00 H new ATOM 0 HB3 MET A 24 -11.046 -7.279 -6.239 1.00 0.00 H new ATOM 0 HG2 MET A 24 -10.200 -4.536 -7.126 1.00 0.00 H new ATOM 0 HG3 MET A 24 -11.156 -5.535 -8.202 1.00 0.00 H new ATOM 0 HE1 MET A 24 -14.555 -5.893 -6.560 1.00 0.00 H new ATOM 0 HE2 MET A 24 -13.346 -6.555 -7.686 1.00 0.00 H new ATOM 0 HE3 MET A 24 -13.333 -7.049 -5.976 1.00 0.00 H new ATOM 364 N ALA A 25 -9.824 -4.712 -3.689 1.00 0.00 N ATOM 365 CA ALA A 25 -10.463 -4.230 -2.468 1.00 0.00 C ATOM 366 C ALA A 25 -11.256 -2.949 -2.687 1.00 0.00 C ATOM 367 O ALA A 25 -10.898 -2.110 -3.518 1.00 0.00 O ATOM 368 CB ALA A 25 -9.416 -3.995 -1.394 1.00 0.00 C ATOM 0 H ALA A 25 -9.204 -4.038 -4.137 1.00 0.00 H new ATOM 0 HA ALA A 25 -11.165 -5.001 -2.152 1.00 0.00 H new ATOM 0 HB1 ALA A 25 -9.900 -3.635 -0.486 1.00 0.00 H new ATOM 0 HB2 ALA A 25 -8.896 -4.929 -1.182 1.00 0.00 H new ATOM 0 HB3 ALA A 25 -8.699 -3.251 -1.741 1.00 0.00 H new ATOM 374 N VAL A 26 -12.326 -2.807 -1.905 1.00 0.00 N ATOM 375 CA VAL A 26 -13.186 -1.623 -1.962 1.00 0.00 C ATOM 376 C VAL A 26 -12.825 -0.661 -0.820 1.00 0.00 C ATOM 377 O VAL A 26 -12.663 -1.088 0.326 1.00 0.00 O ATOM 378 CB VAL A 26 -14.687 -2.010 -1.868 1.00 0.00 C ATOM 379 CG1 VAL A 26 -15.583 -0.787 -2.033 1.00 0.00 C ATOM 380 CG2 VAL A 26 -15.037 -3.063 -2.911 1.00 0.00 C ATOM 0 H VAL A 26 -12.620 -3.502 -1.219 1.00 0.00 H new ATOM 0 HA VAL A 26 -13.022 -1.132 -2.921 1.00 0.00 H new ATOM 0 HB VAL A 26 -14.860 -2.428 -0.876 1.00 0.00 H new ATOM 0 HG11 VAL A 26 -16.628 -1.089 -1.963 1.00 0.00 H new ATOM 0 HG12 VAL A 26 -15.361 -0.064 -1.248 1.00 0.00 H new ATOM 0 HG13 VAL A 26 -15.402 -0.332 -3.007 1.00 0.00 H new ATOM 0 HG21 VAL A 26 -16.093 -3.320 -2.828 1.00 0.00 H new ATOM 0 HG22 VAL A 26 -14.837 -2.669 -3.907 1.00 0.00 H new ATOM 0 HG23 VAL A 26 -14.432 -3.955 -2.745 1.00 0.00 H new ATOM 390 N ALA A 27 -12.691 0.632 -1.146 1.00 0.00 N ATOM 391 CA ALA A 27 -12.337 1.656 -0.152 1.00 0.00 C ATOM 392 C ALA A 27 -13.497 1.948 0.797 1.00 0.00 C ATOM 393 O ALA A 27 -14.646 2.082 0.364 1.00 0.00 O ATOM 394 CB ALA A 27 -11.892 2.932 -0.845 1.00 0.00 C ATOM 0 H ALA A 27 -12.822 0.994 -2.090 1.00 0.00 H new ATOM 0 HA ALA A 27 -11.512 1.265 0.444 1.00 0.00 H new ATOM 0 HB1 ALA A 27 -11.633 3.681 -0.097 1.00 0.00 H new ATOM 0 HB2 ALA A 27 -11.021 2.724 -1.467 1.00 0.00 H new ATOM 0 HB3 ALA A 27 -12.702 3.308 -1.470 1.00 0.00 H new ATOM 400 N LEU A 28 -13.181 2.039 2.093 1.00 0.00 N ATOM 401 CA LEU A 28 -14.186 2.301 3.125 1.00 0.00 C ATOM 402 C LEU A 28 -14.251 3.779 3.516 1.00 0.00 C ATOM 403 O LEU A 28 -15.244 4.217 4.101 1.00 0.00 O ATOM 404 CB LEU A 28 -13.894 1.460 4.377 1.00 0.00 C ATOM 405 CG LEU A 28 -13.924 -0.064 4.188 1.00 0.00 C ATOM 406 CD1 LEU A 28 -13.352 -0.757 5.416 1.00 0.00 C ATOM 407 CD2 LEU A 28 -15.339 -0.556 3.908 1.00 0.00 C ATOM 0 H LEU A 28 -12.232 1.934 2.452 1.00 0.00 H new ATOM 0 HA LEU A 28 -15.151 2.024 2.702 1.00 0.00 H new ATOM 0 HB2 LEU A 28 -12.911 1.740 4.757 1.00 0.00 H new ATOM 0 HB3 LEU A 28 -14.620 1.725 5.146 1.00 0.00 H new ATOM 0 HG LEU A 28 -13.307 -0.312 3.324 1.00 0.00 H new ATOM 0 HD11 LEU A 28 -13.379 -1.837 5.270 1.00 0.00 H new ATOM 0 HD12 LEU A 28 -12.321 -0.437 5.567 1.00 0.00 H new ATOM 0 HD13 LEU A 28 -13.946 -0.495 6.292 1.00 0.00 H new ATOM 0 HD21 LEU A 28 -15.329 -1.638 3.779 1.00 0.00 H new ATOM 0 HD22 LEU A 28 -15.987 -0.297 4.745 1.00 0.00 H new ATOM 0 HD23 LEU A 28 -15.715 -0.085 2.999 1.00 0.00 H new ATOM 419 N GLN A 29 -13.193 4.542 3.210 1.00 0.00 N ATOM 420 CA GLN A 29 -13.157 5.968 3.556 1.00 0.00 C ATOM 421 C GLN A 29 -12.336 6.787 2.552 1.00 0.00 C ATOM 422 O GLN A 29 -11.858 6.256 1.546 1.00 0.00 O ATOM 423 CB GLN A 29 -12.599 6.158 4.976 1.00 0.00 C ATOM 424 CG GLN A 29 -11.185 5.629 5.164 1.00 0.00 C ATOM 425 CD GLN A 29 -10.612 5.976 6.523 1.00 0.00 C ATOM 426 OE1 GLN A 29 -11.109 5.527 7.556 1.00 0.00 O ATOM 427 NE2 GLN A 29 -9.563 6.789 6.527 1.00 0.00 N ATOM 0 H GLN A 29 -12.361 4.201 2.729 1.00 0.00 H new ATOM 0 HA GLN A 29 -14.182 6.336 3.517 1.00 0.00 H new ATOM 0 HB2 GLN A 29 -12.614 7.220 5.221 1.00 0.00 H new ATOM 0 HB3 GLN A 29 -13.260 5.658 5.684 1.00 0.00 H new ATOM 0 HG2 GLN A 29 -11.186 4.546 5.039 1.00 0.00 H new ATOM 0 HG3 GLN A 29 -10.541 6.039 4.386 1.00 0.00 H new ATOM 0 HE21 GLN A 29 -9.184 7.137 5.646 1.00 0.00 H new ATOM 0 HE22 GLN A 29 -9.136 7.066 7.411 1.00 0.00 H new ATOM 436 N ASP A 30 -12.186 8.086 2.843 1.00 0.00 N ATOM 437 CA ASP A 30 -11.434 9.006 1.988 1.00 0.00 C ATOM 438 C ASP A 30 -9.964 9.065 2.394 1.00 0.00 C ATOM 439 O ASP A 30 -9.624 8.872 3.564 1.00 0.00 O ATOM 440 CB ASP A 30 -12.042 10.410 2.060 1.00 0.00 C ATOM 441 CG ASP A 30 -13.482 10.452 1.585 1.00 0.00 C ATOM 442 OD1 ASP A 30 -13.724 10.170 0.392 1.00 0.00 O ATOM 443 OD2 ASP A 30 -14.369 10.764 2.406 1.00 0.00 O ATOM 0 H ASP A 30 -12.582 8.525 3.675 1.00 0.00 H new ATOM 0 HA ASP A 30 -11.494 8.633 0.965 1.00 0.00 H new ATOM 0 HB2 ASP A 30 -11.993 10.770 3.088 1.00 0.00 H new ATOM 0 HB3 ASP A 30 -11.444 11.091 1.454 1.00 0.00 H new ATOM 448 N TYR A 31 -9.101 9.340 1.413 1.00 0.00 N ATOM 449 CA TYR A 31 -7.659 9.438 1.638 1.00 0.00 C ATOM 450 C TYR A 31 -7.023 10.398 0.631 1.00 0.00 C ATOM 451 O TYR A 31 -7.335 10.349 -0.561 1.00 0.00 O ATOM 452 CB TYR A 31 -6.997 8.057 1.510 1.00 0.00 C ATOM 453 CG TYR A 31 -5.598 7.989 2.098 1.00 0.00 C ATOM 454 CD1 TYR A 31 -5.396 8.012 3.475 1.00 0.00 C ATOM 455 CD2 TYR A 31 -4.483 7.899 1.274 1.00 0.00 C ATOM 456 CE1 TYR A 31 -4.125 7.949 4.010 1.00 0.00 C ATOM 457 CE2 TYR A 31 -3.207 7.835 1.804 1.00 0.00 C ATOM 458 CZ TYR A 31 -3.035 7.861 3.172 1.00 0.00 C ATOM 459 OH TYR A 31 -1.768 7.798 3.703 1.00 0.00 O ATOM 0 H TYR A 31 -9.381 9.500 0.445 1.00 0.00 H new ATOM 0 HA TYR A 31 -7.502 9.819 2.647 1.00 0.00 H new ATOM 0 HB2 TYR A 31 -7.625 7.316 2.005 1.00 0.00 H new ATOM 0 HB3 TYR A 31 -6.951 7.783 0.456 1.00 0.00 H new ATOM 0 HD1 TYR A 31 -6.248 8.080 4.136 1.00 0.00 H new ATOM 0 HD2 TYR A 31 -4.615 7.879 0.202 1.00 0.00 H new ATOM 0 HE1 TYR A 31 -3.986 7.969 5.081 1.00 0.00 H new ATOM 0 HE2 TYR A 31 -2.350 7.765 1.150 1.00 0.00 H new ATOM 0 HH TYR A 31 -1.117 7.674 2.981 1.00 0.00 H new ATOM 469 N MET A 32 -6.116 11.249 1.116 1.00 0.00 N ATOM 470 CA MET A 32 -5.414 12.205 0.258 1.00 0.00 C ATOM 471 C MET A 32 -3.934 11.844 0.164 1.00 0.00 C ATOM 472 O MET A 32 -3.340 11.398 1.147 1.00 0.00 O ATOM 473 CB MET A 32 -5.577 13.632 0.791 1.00 0.00 C ATOM 474 CG MET A 32 -7.021 14.118 0.824 1.00 0.00 C ATOM 475 SD MET A 32 -7.769 14.235 -0.812 1.00 0.00 S ATOM 476 CE MET A 32 -9.413 14.810 -0.395 1.00 0.00 C ATOM 0 H MET A 32 -5.850 11.295 2.100 1.00 0.00 H new ATOM 0 HA MET A 32 -5.852 12.157 -0.739 1.00 0.00 H new ATOM 0 HB2 MET A 32 -5.164 13.682 1.798 1.00 0.00 H new ATOM 0 HB3 MET A 32 -4.990 14.310 0.172 1.00 0.00 H new ATOM 0 HG2 MET A 32 -7.612 13.439 1.439 1.00 0.00 H new ATOM 0 HG3 MET A 32 -7.057 15.096 1.304 1.00 0.00 H new ATOM 0 HE1 MET A 32 -9.998 14.931 -1.307 1.00 0.00 H new ATOM 0 HE2 MET A 32 -9.899 14.082 0.255 1.00 0.00 H new ATOM 0 HE3 MET A 32 -9.344 15.768 0.121 1.00 0.00 H new ATOM 486 N ALA A 33 -3.355 12.018 -1.027 1.00 0.00 N ATOM 487 CA ALA A 33 -1.946 11.690 -1.262 1.00 0.00 C ATOM 488 C ALA A 33 -1.006 12.877 -0.985 1.00 0.00 C ATOM 489 O ALA A 33 -0.989 13.842 -1.756 1.00 0.00 O ATOM 490 CB ALA A 33 -1.761 11.214 -2.693 1.00 0.00 C ATOM 0 H ALA A 33 -3.841 12.385 -1.845 1.00 0.00 H new ATOM 0 HA ALA A 33 -1.680 10.897 -0.563 1.00 0.00 H new ATOM 0 HB1 ALA A 33 -0.712 10.971 -2.863 1.00 0.00 H new ATOM 0 HB2 ALA A 33 -2.371 10.327 -2.863 1.00 0.00 H new ATOM 0 HB3 ALA A 33 -2.067 12.002 -3.381 1.00 0.00 H new ATOM 496 N PRO A 34 -0.194 12.833 0.115 1.00 0.00 N ATOM 497 CA PRO A 34 0.743 13.910 0.452 1.00 0.00 C ATOM 498 C PRO A 34 2.014 13.867 -0.404 1.00 0.00 C ATOM 499 O PRO A 34 2.400 14.874 -1.004 1.00 0.00 O ATOM 500 CB PRO A 34 1.089 13.652 1.930 1.00 0.00 C ATOM 501 CG PRO A 34 0.227 12.511 2.361 1.00 0.00 C ATOM 502 CD PRO A 34 -0.113 11.755 1.114 1.00 0.00 C ATOM 0 HA PRO A 34 0.305 14.891 0.271 1.00 0.00 H new ATOM 0 HB2 PRO A 34 2.145 13.409 2.047 1.00 0.00 H new ATOM 0 HB3 PRO A 34 0.897 14.537 2.536 1.00 0.00 H new ATOM 0 HG2 PRO A 34 0.751 11.873 3.073 1.00 0.00 H new ATOM 0 HG3 PRO A 34 -0.675 12.869 2.858 1.00 0.00 H new ATOM 0 HD2 PRO A 34 0.652 11.021 0.861 1.00 0.00 H new ATOM 0 HD3 PRO A 34 -1.055 11.215 1.208 1.00 0.00 H new ATOM 510 N ASP A 35 2.657 12.694 -0.450 1.00 0.00 N ATOM 511 CA ASP A 35 3.887 12.500 -1.221 1.00 0.00 C ATOM 512 C ASP A 35 3.559 12.042 -2.645 1.00 0.00 C ATOM 513 O ASP A 35 2.429 11.628 -2.928 1.00 0.00 O ATOM 514 CB ASP A 35 4.784 11.479 -0.506 1.00 0.00 C ATOM 515 CG ASP A 35 6.220 11.464 -1.005 1.00 0.00 C ATOM 516 OD1 ASP A 35 6.476 10.865 -2.069 1.00 0.00 O ATOM 517 OD2 ASP A 35 7.086 12.056 -0.328 1.00 0.00 O ATOM 0 H ASP A 35 2.341 11.859 0.043 1.00 0.00 H new ATOM 0 HA ASP A 35 4.422 13.447 -1.292 1.00 0.00 H new ATOM 0 HB2 ASP A 35 4.783 11.695 0.562 1.00 0.00 H new ATOM 0 HB3 ASP A 35 4.356 10.484 -0.630 1.00 0.00 H new ATOM 522 N CYS A 36 4.551 12.133 -3.536 1.00 0.00 N ATOM 523 CA CYS A 36 4.390 11.752 -4.943 1.00 0.00 C ATOM 524 C CYS A 36 4.101 10.261 -5.128 1.00 0.00 C ATOM 525 O CYS A 36 3.516 9.868 -6.140 1.00 0.00 O ATOM 526 CB CYS A 36 5.657 12.112 -5.722 1.00 0.00 C ATOM 527 SG CYS A 36 7.140 11.198 -5.180 1.00 0.00 S ATOM 0 H CYS A 36 5.485 12.471 -3.304 1.00 0.00 H new ATOM 0 HA CYS A 36 3.529 12.303 -5.322 1.00 0.00 H new ATOM 0 HB2 CYS A 36 5.489 11.917 -6.781 1.00 0.00 H new ATOM 0 HB3 CYS A 36 5.843 13.181 -5.620 1.00 0.00 H new ATOM 532 N ARG A 37 4.535 9.433 -4.174 1.00 0.00 N ATOM 533 CA ARG A 37 4.337 7.987 -4.281 1.00 0.00 C ATOM 534 C ARG A 37 3.050 7.503 -3.604 1.00 0.00 C ATOM 535 O ARG A 37 2.809 6.298 -3.542 1.00 0.00 O ATOM 536 CB ARG A 37 5.550 7.231 -3.724 1.00 0.00 C ATOM 537 CG ARG A 37 5.814 7.463 -2.245 1.00 0.00 C ATOM 538 CD ARG A 37 6.901 6.529 -1.732 1.00 0.00 C ATOM 539 NE ARG A 37 7.073 6.608 -0.278 1.00 0.00 N ATOM 540 CZ ARG A 37 6.170 6.200 0.623 1.00 0.00 C ATOM 541 NH1 ARG A 37 5.030 5.630 0.245 1.00 0.00 N ATOM 542 NH2 ARG A 37 6.419 6.353 1.915 1.00 0.00 N ATOM 0 H ARG A 37 5.020 9.735 -3.329 1.00 0.00 H new ATOM 0 HA ARG A 37 4.232 7.770 -5.344 1.00 0.00 H new ATOM 0 HB2 ARG A 37 5.405 6.164 -3.891 1.00 0.00 H new ATOM 0 HB3 ARG A 37 6.435 7.524 -4.288 1.00 0.00 H new ATOM 0 HG2 ARG A 37 6.113 8.499 -2.083 1.00 0.00 H new ATOM 0 HG3 ARG A 37 4.896 7.304 -1.679 1.00 0.00 H new ATOM 0 HD2 ARG A 37 6.655 5.504 -2.010 1.00 0.00 H new ATOM 0 HD3 ARG A 37 7.845 6.774 -2.220 1.00 0.00 H new ATOM 0 HE ARG A 37 7.945 7.003 0.073 1.00 0.00 H new ATOM 0 HH11 ARG A 37 4.831 5.497 -0.746 1.00 0.00 H new ATOM 0 HH12 ARG A 37 4.355 5.326 0.946 1.00 0.00 H new ATOM 0 HH21 ARG A 37 7.294 6.779 2.219 1.00 0.00 H new ATOM 0 HH22 ARG A 37 5.735 6.044 2.606 1.00 0.00 H new ATOM 556 N PHE A 38 2.218 8.427 -3.115 1.00 0.00 N ATOM 557 CA PHE A 38 0.956 8.046 -2.471 1.00 0.00 C ATOM 558 C PHE A 38 -0.213 8.180 -3.448 1.00 0.00 C ATOM 559 O PHE A 38 -0.096 8.856 -4.474 1.00 0.00 O ATOM 560 CB PHE A 38 0.687 8.890 -1.218 1.00 0.00 C ATOM 561 CG PHE A 38 1.347 8.384 0.041 1.00 0.00 C ATOM 562 CD1 PHE A 38 2.701 8.574 0.272 1.00 0.00 C ATOM 563 CD2 PHE A 38 0.598 7.723 1.003 1.00 0.00 C ATOM 564 CE1 PHE A 38 3.291 8.117 1.434 1.00 0.00 C ATOM 565 CE2 PHE A 38 1.185 7.262 2.165 1.00 0.00 C ATOM 566 CZ PHE A 38 2.533 7.460 2.382 1.00 0.00 C ATOM 0 H PHE A 38 2.391 9.432 -3.151 1.00 0.00 H new ATOM 0 HA PHE A 38 1.048 7.003 -2.167 1.00 0.00 H new ATOM 0 HB2 PHE A 38 1.026 9.909 -1.404 1.00 0.00 H new ATOM 0 HB3 PHE A 38 -0.389 8.937 -1.053 1.00 0.00 H new ATOM 0 HD1 PHE A 38 3.301 9.086 -0.466 1.00 0.00 H new ATOM 0 HD2 PHE A 38 -0.458 7.567 0.841 1.00 0.00 H new ATOM 0 HE1 PHE A 38 4.346 8.274 1.601 1.00 0.00 H new ATOM 0 HE2 PHE A 38 0.589 6.747 2.904 1.00 0.00 H new ATOM 0 HZ PHE A 38 2.994 7.102 3.291 1.00 0.00 H new ATOM 576 N LEU A 39 -1.337 7.532 -3.122 1.00 0.00 N ATOM 577 CA LEU A 39 -2.535 7.573 -3.972 1.00 0.00 C ATOM 578 C LEU A 39 -3.720 8.236 -3.270 1.00 0.00 C ATOM 579 O LEU A 39 -4.006 7.943 -2.107 1.00 0.00 O ATOM 580 CB LEU A 39 -2.941 6.155 -4.395 1.00 0.00 C ATOM 581 CG LEU A 39 -2.108 5.527 -5.517 1.00 0.00 C ATOM 582 CD1 LEU A 39 -2.340 4.026 -5.568 1.00 0.00 C ATOM 583 CD2 LEU A 39 -2.457 6.149 -6.862 1.00 0.00 C ATOM 0 H LEU A 39 -1.443 6.973 -2.276 1.00 0.00 H new ATOM 0 HA LEU A 39 -2.277 8.169 -4.848 1.00 0.00 H new ATOM 0 HB2 LEU A 39 -2.886 5.506 -3.521 1.00 0.00 H new ATOM 0 HB3 LEU A 39 -3.984 6.176 -4.711 1.00 0.00 H new ATOM 0 HG LEU A 39 -1.056 5.719 -5.307 1.00 0.00 H new ATOM 0 HD11 LEU A 39 -1.742 3.592 -6.370 1.00 0.00 H new ATOM 0 HD12 LEU A 39 -2.049 3.580 -4.617 1.00 0.00 H new ATOM 0 HD13 LEU A 39 -3.395 3.827 -5.754 1.00 0.00 H new ATOM 0 HD21 LEU A 39 -1.853 5.688 -7.644 1.00 0.00 H new ATOM 0 HD22 LEU A 39 -3.513 5.986 -7.075 1.00 0.00 H new ATOM 0 HD23 LEU A 39 -2.254 7.220 -6.831 1.00 0.00 H new ATOM 595 N THR A 40 -4.427 9.103 -4.006 1.00 0.00 N ATOM 596 CA THR A 40 -5.612 9.781 -3.481 1.00 0.00 C ATOM 597 C THR A 40 -6.838 8.924 -3.793 1.00 0.00 C ATOM 598 O THR A 40 -7.205 8.751 -4.960 1.00 0.00 O ATOM 599 CB THR A 40 -5.759 11.187 -4.088 1.00 0.00 C ATOM 600 OG1 THR A 40 -4.585 11.948 -3.882 1.00 0.00 O ATOM 601 CG2 THR A 40 -6.912 11.984 -3.509 1.00 0.00 C ATOM 0 H THR A 40 -4.196 9.350 -4.968 1.00 0.00 H new ATOM 0 HA THR A 40 -5.513 9.905 -2.403 1.00 0.00 H new ATOM 0 HB THR A 40 -5.949 11.015 -5.147 1.00 0.00 H new ATOM 0 HG1 THR A 40 -4.698 12.838 -4.277 1.00 0.00 H new ATOM 0 HG21 THR A 40 -6.953 12.964 -3.985 1.00 0.00 H new ATOM 0 HG22 THR A 40 -7.847 11.454 -3.689 1.00 0.00 H new ATOM 0 HG23 THR A 40 -6.766 12.108 -2.436 1.00 0.00 H new ATOM 609 N ILE A 41 -7.436 8.358 -2.748 1.00 0.00 N ATOM 610 CA ILE A 41 -8.593 7.474 -2.902 1.00 0.00 C ATOM 611 C ILE A 41 -9.851 8.084 -2.276 1.00 0.00 C ATOM 612 O ILE A 41 -9.767 8.844 -1.317 1.00 0.00 O ATOM 613 CB ILE A 41 -8.299 6.089 -2.256 1.00 0.00 C ATOM 614 CG1 ILE A 41 -6.967 5.531 -2.790 1.00 0.00 C ATOM 615 CG2 ILE A 41 -9.436 5.104 -2.531 1.00 0.00 C ATOM 616 CD1 ILE A 41 -6.472 4.291 -2.068 1.00 0.00 C ATOM 0 H ILE A 41 -7.139 8.495 -1.782 1.00 0.00 H new ATOM 0 HA ILE A 41 -8.774 7.345 -3.969 1.00 0.00 H new ATOM 0 HB ILE A 41 -8.222 6.223 -1.177 1.00 0.00 H new ATOM 0 HG12 ILE A 41 -7.083 5.298 -3.849 1.00 0.00 H new ATOM 0 HG13 ILE A 41 -6.206 6.308 -2.716 1.00 0.00 H new ATOM 0 HG21 ILE A 41 -9.206 4.144 -2.069 1.00 0.00 H new ATOM 0 HG22 ILE A 41 -10.364 5.494 -2.114 1.00 0.00 H new ATOM 0 HG23 ILE A 41 -9.550 4.971 -3.607 1.00 0.00 H new ATOM 0 HD11 ILE A 41 -5.529 3.966 -2.508 1.00 0.00 H new ATOM 0 HD12 ILE A 41 -6.320 4.520 -1.013 1.00 0.00 H new ATOM 0 HD13 ILE A 41 -7.211 3.495 -2.163 1.00 0.00 H new ATOM 628 N HIS A 42 -11.015 7.726 -2.825 1.00 0.00 N ATOM 629 CA HIS A 42 -12.298 8.208 -2.321 1.00 0.00 C ATOM 630 C HIS A 42 -13.127 7.042 -1.789 1.00 0.00 C ATOM 631 O HIS A 42 -12.937 5.893 -2.200 1.00 0.00 O ATOM 632 CB HIS A 42 -13.070 8.952 -3.415 1.00 0.00 C ATOM 633 CG HIS A 42 -12.459 10.264 -3.802 1.00 0.00 C ATOM 634 ND1 HIS A 42 -12.291 11.309 -2.916 1.00 0.00 N ATOM 635 CD2 HIS A 42 -11.978 10.703 -4.991 1.00 0.00 C ATOM 636 CE1 HIS A 42 -11.738 12.332 -3.543 1.00 0.00 C ATOM 637 NE2 HIS A 42 -11.537 11.990 -4.802 1.00 0.00 N ATOM 0 H HIS A 42 -11.092 7.098 -3.625 1.00 0.00 H new ATOM 0 HA HIS A 42 -12.105 8.905 -1.506 1.00 0.00 H new ATOM 0 HB2 HIS A 42 -13.133 8.317 -4.298 1.00 0.00 H new ATOM 0 HB3 HIS A 42 -14.091 9.124 -3.073 1.00 0.00 H new ATOM 0 HD2 HIS A 42 -11.947 10.145 -5.915 1.00 0.00 H new ATOM 0 HE1 HIS A 42 -11.492 13.286 -3.101 1.00 0.00 H new ATOM 0 HE2 HIS A 42 -11.121 12.585 -5.519 1.00 0.00 H new ATOM 646 N ARG A 43 -14.038 7.353 -0.866 1.00 0.00 N ATOM 647 CA ARG A 43 -14.905 6.351 -0.244 1.00 0.00 C ATOM 648 C ARG A 43 -15.843 5.704 -1.269 1.00 0.00 C ATOM 649 O ARG A 43 -16.701 6.376 -1.850 1.00 0.00 O ATOM 650 CB ARG A 43 -15.717 7.005 0.884 1.00 0.00 C ATOM 651 CG ARG A 43 -16.557 6.028 1.694 1.00 0.00 C ATOM 652 CD ARG A 43 -17.396 6.740 2.747 1.00 0.00 C ATOM 653 NE ARG A 43 -18.376 7.652 2.150 1.00 0.00 N ATOM 654 CZ ARG A 43 -19.238 8.397 2.849 1.00 0.00 C ATOM 655 NH1 ARG A 43 -19.260 8.352 4.180 1.00 0.00 N ATOM 656 NH2 ARG A 43 -20.086 9.192 2.212 1.00 0.00 N ATOM 0 H ARG A 43 -14.196 8.303 -0.529 1.00 0.00 H new ATOM 0 HA ARG A 43 -14.276 5.562 0.168 1.00 0.00 H new ATOM 0 HB2 ARG A 43 -15.033 7.523 1.556 1.00 0.00 H new ATOM 0 HB3 ARG A 43 -16.373 7.761 0.453 1.00 0.00 H new ATOM 0 HG2 ARG A 43 -17.211 5.470 1.025 1.00 0.00 H new ATOM 0 HG3 ARG A 43 -15.904 5.303 2.179 1.00 0.00 H new ATOM 0 HD2 ARG A 43 -17.915 6.000 3.357 1.00 0.00 H new ATOM 0 HD3 ARG A 43 -16.740 7.300 3.414 1.00 0.00 H new ATOM 0 HE ARG A 43 -18.402 7.723 1.133 1.00 0.00 H new ATOM 0 HH11 ARG A 43 -18.613 7.743 4.680 1.00 0.00 H new ATOM 0 HH12 ARG A 43 -19.924 8.927 4.699 1.00 0.00 H new ATOM 0 HH21 ARG A 43 -20.079 9.233 1.193 1.00 0.00 H new ATOM 0 HH22 ARG A 43 -20.746 9.762 2.741 1.00 0.00 H new ATOM 670 N GLY A 44 -15.680 4.390 -1.466 1.00 0.00 N ATOM 671 CA GLY A 44 -16.524 3.660 -2.399 1.00 0.00 C ATOM 672 C GLY A 44 -15.864 3.367 -3.738 1.00 0.00 C ATOM 673 O GLY A 44 -16.489 2.753 -4.606 1.00 0.00 O ATOM 0 H GLY A 44 -14.977 3.822 -0.994 1.00 0.00 H new ATOM 0 HA2 GLY A 44 -16.823 2.718 -1.940 1.00 0.00 H new ATOM 0 HA3 GLY A 44 -17.435 4.233 -2.573 1.00 0.00 H new ATOM 677 N GLN A 45 -14.611 3.799 -3.917 1.00 0.00 N ATOM 678 CA GLN A 45 -13.900 3.564 -5.178 1.00 0.00 C ATOM 679 C GLN A 45 -13.268 2.173 -5.224 1.00 0.00 C ATOM 680 O GLN A 45 -12.922 1.596 -4.189 1.00 0.00 O ATOM 681 CB GLN A 45 -12.824 4.628 -5.420 1.00 0.00 C ATOM 682 CG GLN A 45 -13.379 5.988 -5.819 1.00 0.00 C ATOM 683 CD GLN A 45 -12.311 6.906 -6.386 1.00 0.00 C ATOM 684 OE1 GLN A 45 -11.322 7.214 -5.724 1.00 0.00 O ATOM 685 NE2 GLN A 45 -12.503 7.346 -7.626 1.00 0.00 N ATOM 0 H GLN A 45 -14.074 4.307 -3.214 1.00 0.00 H new ATOM 0 HA GLN A 45 -14.645 3.629 -5.971 1.00 0.00 H new ATOM 0 HB2 GLN A 45 -12.229 4.741 -4.514 1.00 0.00 H new ATOM 0 HB3 GLN A 45 -12.150 4.278 -6.202 1.00 0.00 H new ATOM 0 HG2 GLN A 45 -14.168 5.852 -6.559 1.00 0.00 H new ATOM 0 HG3 GLN A 45 -13.836 6.460 -4.949 1.00 0.00 H new ATOM 0 HE21 GLN A 45 -13.337 7.067 -8.143 1.00 0.00 H new ATOM 0 HE22 GLN A 45 -11.816 7.962 -8.061 1.00 0.00 H new ATOM 694 N VAL A 46 -13.125 1.654 -6.445 1.00 0.00 N ATOM 695 CA VAL A 46 -12.536 0.334 -6.684 1.00 0.00 C ATOM 696 C VAL A 46 -11.019 0.458 -6.830 1.00 0.00 C ATOM 697 O VAL A 46 -10.536 1.082 -7.773 1.00 0.00 O ATOM 698 CB VAL A 46 -13.125 -0.311 -7.966 1.00 0.00 C ATOM 699 CG1 VAL A 46 -12.661 -1.750 -8.125 1.00 0.00 C ATOM 700 CG2 VAL A 46 -14.647 -0.240 -7.966 1.00 0.00 C ATOM 0 H VAL A 46 -13.414 2.136 -7.296 1.00 0.00 H new ATOM 0 HA VAL A 46 -12.772 -0.302 -5.831 1.00 0.00 H new ATOM 0 HB VAL A 46 -12.755 0.260 -8.817 1.00 0.00 H new ATOM 0 HG11 VAL A 46 -13.091 -2.173 -9.033 1.00 0.00 H new ATOM 0 HG12 VAL A 46 -11.573 -1.776 -8.193 1.00 0.00 H new ATOM 0 HG13 VAL A 46 -12.985 -2.334 -7.264 1.00 0.00 H new ATOM 0 HG21 VAL A 46 -15.033 -0.699 -8.876 1.00 0.00 H new ATOM 0 HG22 VAL A 46 -15.036 -0.772 -7.098 1.00 0.00 H new ATOM 0 HG23 VAL A 46 -14.963 0.802 -7.924 1.00 0.00 H new ATOM 710 N VAL A 47 -10.273 -0.128 -5.889 1.00 0.00 N ATOM 711 CA VAL A 47 -8.810 -0.062 -5.922 1.00 0.00 C ATOM 712 C VAL A 47 -8.201 -1.452 -6.100 1.00 0.00 C ATOM 713 O VAL A 47 -8.594 -2.403 -5.420 1.00 0.00 O ATOM 714 CB VAL A 47 -8.235 0.584 -4.636 1.00 0.00 C ATOM 715 CG1 VAL A 47 -6.765 0.948 -4.819 1.00 0.00 C ATOM 716 CG2 VAL A 47 -9.039 1.814 -4.231 1.00 0.00 C ATOM 0 H VAL A 47 -10.655 -0.650 -5.100 1.00 0.00 H new ATOM 0 HA VAL A 47 -8.544 0.562 -6.775 1.00 0.00 H new ATOM 0 HB VAL A 47 -8.311 -0.152 -3.835 1.00 0.00 H new ATOM 0 HG11 VAL A 47 -6.385 1.400 -3.903 1.00 0.00 H new ATOM 0 HG12 VAL A 47 -6.193 0.048 -5.044 1.00 0.00 H new ATOM 0 HG13 VAL A 47 -6.665 1.657 -5.641 1.00 0.00 H new ATOM 0 HG21 VAL A 47 -8.612 2.246 -3.326 1.00 0.00 H new ATOM 0 HG22 VAL A 47 -9.007 2.550 -5.034 1.00 0.00 H new ATOM 0 HG23 VAL A 47 -10.074 1.527 -4.043 1.00 0.00 H new ATOM 726 N TYR A 48 -7.235 -1.554 -7.016 1.00 0.00 N ATOM 727 CA TYR A 48 -6.557 -2.818 -7.289 1.00 0.00 C ATOM 728 C TYR A 48 -5.177 -2.844 -6.639 1.00 0.00 C ATOM 729 O TYR A 48 -4.388 -1.909 -6.799 1.00 0.00 O ATOM 730 CB TYR A 48 -6.417 -3.061 -8.801 1.00 0.00 C ATOM 731 CG TYR A 48 -7.717 -3.386 -9.517 1.00 0.00 C ATOM 732 CD1 TYR A 48 -8.693 -2.417 -9.734 1.00 0.00 C ATOM 733 CD2 TYR A 48 -7.956 -4.669 -9.995 1.00 0.00 C ATOM 734 CE1 TYR A 48 -9.865 -2.720 -10.398 1.00 0.00 C ATOM 735 CE2 TYR A 48 -9.126 -4.978 -10.663 1.00 0.00 C ATOM 736 CZ TYR A 48 -10.076 -4.001 -10.859 1.00 0.00 C ATOM 737 OH TYR A 48 -11.243 -4.305 -11.524 1.00 0.00 O ATOM 0 H TYR A 48 -6.906 -0.772 -7.582 1.00 0.00 H new ATOM 0 HA TYR A 48 -7.169 -3.613 -6.863 1.00 0.00 H new ATOM 0 HB2 TYR A 48 -5.979 -2.174 -9.258 1.00 0.00 H new ATOM 0 HB3 TYR A 48 -5.716 -3.881 -8.960 1.00 0.00 H new ATOM 0 HD1 TYR A 48 -8.530 -1.411 -9.377 1.00 0.00 H new ATOM 0 HD2 TYR A 48 -7.214 -5.439 -9.842 1.00 0.00 H new ATOM 0 HE1 TYR A 48 -10.613 -1.957 -10.555 1.00 0.00 H new ATOM 0 HE2 TYR A 48 -9.294 -5.980 -11.029 1.00 0.00 H new ATOM 0 HH TYR A 48 -11.235 -5.250 -11.784 1.00 0.00 H new ATOM 747 N VAL A 49 -4.893 -3.926 -5.911 1.00 0.00 N ATOM 748 CA VAL A 49 -3.606 -4.093 -5.234 1.00 0.00 C ATOM 749 C VAL A 49 -2.647 -4.897 -6.113 1.00 0.00 C ATOM 750 O VAL A 49 -2.984 -5.995 -6.557 1.00 0.00 O ATOM 751 CB VAL A 49 -3.769 -4.803 -3.865 1.00 0.00 C ATOM 752 CG1 VAL A 49 -2.459 -4.801 -3.086 1.00 0.00 C ATOM 753 CG2 VAL A 49 -4.878 -4.156 -3.046 1.00 0.00 C ATOM 0 H VAL A 49 -5.540 -4.702 -5.775 1.00 0.00 H new ATOM 0 HA VAL A 49 -3.197 -3.098 -5.057 1.00 0.00 H new ATOM 0 HB VAL A 49 -4.046 -5.839 -4.060 1.00 0.00 H new ATOM 0 HG11 VAL A 49 -2.603 -5.305 -2.130 1.00 0.00 H new ATOM 0 HG12 VAL A 49 -1.694 -5.323 -3.660 1.00 0.00 H new ATOM 0 HG13 VAL A 49 -2.142 -3.773 -2.910 1.00 0.00 H new ATOM 0 HG21 VAL A 49 -4.973 -4.672 -2.090 1.00 0.00 H new ATOM 0 HG22 VAL A 49 -4.636 -3.108 -2.870 1.00 0.00 H new ATOM 0 HG23 VAL A 49 -5.820 -4.225 -3.590 1.00 0.00 H new ATOM 763 N PHE A 50 -1.462 -4.338 -6.366 1.00 0.00 N ATOM 764 CA PHE A 50 -0.456 -4.995 -7.201 1.00 0.00 C ATOM 765 C PHE A 50 0.723 -5.515 -6.380 1.00 0.00 C ATOM 766 O PHE A 50 1.353 -6.506 -6.759 1.00 0.00 O ATOM 767 CB PHE A 50 0.052 -4.038 -8.291 1.00 0.00 C ATOM 768 CG PHE A 50 -0.863 -3.906 -9.487 1.00 0.00 C ATOM 769 CD1 PHE A 50 -2.128 -3.340 -9.372 1.00 0.00 C ATOM 770 CD2 PHE A 50 -0.451 -4.355 -10.732 1.00 0.00 C ATOM 771 CE1 PHE A 50 -2.956 -3.229 -10.472 1.00 0.00 C ATOM 772 CE2 PHE A 50 -1.277 -4.244 -11.835 1.00 0.00 C ATOM 773 CZ PHE A 50 -2.530 -3.681 -11.704 1.00 0.00 C ATOM 0 H PHE A 50 -1.175 -3.429 -6.003 1.00 0.00 H new ATOM 0 HA PHE A 50 -0.942 -5.852 -7.668 1.00 0.00 H new ATOM 0 HB2 PHE A 50 0.198 -3.052 -7.851 1.00 0.00 H new ATOM 0 HB3 PHE A 50 1.028 -4.382 -8.633 1.00 0.00 H new ATOM 0 HD1 PHE A 50 -2.467 -2.983 -8.411 1.00 0.00 H new ATOM 0 HD2 PHE A 50 0.528 -4.797 -10.842 1.00 0.00 H new ATOM 0 HE1 PHE A 50 -3.937 -2.789 -10.368 1.00 0.00 H new ATOM 0 HE2 PHE A 50 -0.942 -4.598 -12.799 1.00 0.00 H new ATOM 0 HZ PHE A 50 -3.176 -3.594 -12.565 1.00 0.00 H new ATOM 783 N SER A 51 1.030 -4.845 -5.261 1.00 0.00 N ATOM 784 CA SER A 51 2.152 -5.257 -4.412 1.00 0.00 C ATOM 785 C SER A 51 1.883 -5.019 -2.928 1.00 0.00 C ATOM 786 O SER A 51 1.274 -4.018 -2.549 1.00 0.00 O ATOM 787 CB SER A 51 3.426 -4.513 -4.817 1.00 0.00 C ATOM 788 OG SER A 51 3.245 -3.109 -4.742 1.00 0.00 O ATOM 0 H SER A 51 0.523 -4.025 -4.927 1.00 0.00 H new ATOM 0 HA SER A 51 2.278 -6.329 -4.561 1.00 0.00 H new ATOM 0 HB2 SER A 51 4.247 -4.812 -4.166 1.00 0.00 H new ATOM 0 HB3 SER A 51 3.706 -4.793 -5.833 1.00 0.00 H new ATOM 0 HG SER A 51 4.074 -2.658 -5.004 1.00 0.00 H new ATOM 794 N LYS A 52 2.376 -5.946 -2.095 1.00 0.00 N ATOM 795 CA LYS A 52 2.229 -5.844 -0.636 1.00 0.00 C ATOM 796 C LYS A 52 3.617 -5.784 0.005 1.00 0.00 C ATOM 797 O LYS A 52 4.358 -6.768 -0.016 1.00 0.00 O ATOM 798 CB LYS A 52 1.435 -7.030 -0.066 1.00 0.00 C ATOM 799 CG LYS A 52 0.187 -7.386 -0.861 1.00 0.00 C ATOM 800 CD LYS A 52 -0.530 -8.581 -0.277 1.00 0.00 C ATOM 801 CE LYS A 52 -1.817 -8.867 -1.027 1.00 0.00 C ATOM 802 NZ LYS A 52 -2.733 -7.691 -1.051 1.00 0.00 N ATOM 0 H LYS A 52 2.881 -6.776 -2.407 1.00 0.00 H new ATOM 0 HA LYS A 52 1.673 -4.935 -0.406 1.00 0.00 H new ATOM 0 HB2 LYS A 52 2.087 -7.903 -0.025 1.00 0.00 H new ATOM 0 HB3 LYS A 52 1.145 -6.800 0.959 1.00 0.00 H new ATOM 0 HG2 LYS A 52 -0.488 -6.531 -0.879 1.00 0.00 H new ATOM 0 HG3 LYS A 52 0.462 -7.597 -1.894 1.00 0.00 H new ATOM 0 HD2 LYS A 52 0.120 -9.455 -0.318 1.00 0.00 H new ATOM 0 HD3 LYS A 52 -0.751 -8.398 0.774 1.00 0.00 H new ATOM 0 HE2 LYS A 52 -1.581 -9.161 -2.050 1.00 0.00 H new ATOM 0 HE3 LYS A 52 -2.326 -9.711 -0.562 1.00 0.00 H new ATOM 0 HZ1 LYS A 52 -3.695 -7.995 -0.801 1.00 0.00 H new ATOM 0 HZ2 LYS A 52 -2.405 -6.981 -0.365 1.00 0.00 H new ATOM 0 HZ3 LYS A 52 -2.738 -7.275 -2.004 1.00 0.00 H new ATOM 816 N LEU A 53 3.973 -4.615 0.547 1.00 0.00 N ATOM 817 CA LEU A 53 5.292 -4.407 1.163 1.00 0.00 C ATOM 818 C LEU A 53 5.445 -5.153 2.489 1.00 0.00 C ATOM 819 O LEU A 53 4.466 -5.384 3.199 1.00 0.00 O ATOM 820 CB LEU A 53 5.530 -2.909 1.395 1.00 0.00 C ATOM 821 CG LEU A 53 5.309 -1.998 0.178 1.00 0.00 C ATOM 822 CD1 LEU A 53 5.235 -0.544 0.618 1.00 0.00 C ATOM 823 CD2 LEU A 53 6.406 -2.189 -0.864 1.00 0.00 C ATOM 0 H LEU A 53 3.366 -3.795 0.573 1.00 0.00 H new ATOM 0 HA LEU A 53 6.033 -4.808 0.471 1.00 0.00 H new ATOM 0 HB2 LEU A 53 4.872 -2.576 2.198 1.00 0.00 H new ATOM 0 HB3 LEU A 53 6.553 -2.773 1.745 1.00 0.00 H new ATOM 0 HG LEU A 53 4.362 -2.274 -0.285 1.00 0.00 H new ATOM 0 HD11 LEU A 53 5.078 0.092 -0.253 1.00 0.00 H new ATOM 0 HD12 LEU A 53 4.406 -0.416 1.314 1.00 0.00 H new ATOM 0 HD13 LEU A 53 6.167 -0.264 1.108 1.00 0.00 H new ATOM 0 HD21 LEU A 53 6.221 -1.530 -1.712 1.00 0.00 H new ATOM 0 HD22 LEU A 53 7.373 -1.949 -0.422 1.00 0.00 H new ATOM 0 HD23 LEU A 53 6.409 -3.225 -1.203 1.00 0.00 H new ATOM 835 N LYS A 54 6.697 -5.510 2.815 1.00 0.00 N ATOM 836 CA LYS A 54 7.020 -6.212 4.065 1.00 0.00 C ATOM 837 C LYS A 54 7.909 -5.317 4.955 1.00 0.00 C ATOM 838 O LYS A 54 7.609 -4.133 5.117 1.00 0.00 O ATOM 839 CB LYS A 54 7.706 -7.554 3.765 1.00 0.00 C ATOM 840 CG LYS A 54 6.851 -8.536 2.978 1.00 0.00 C ATOM 841 CD LYS A 54 7.543 -9.888 2.815 1.00 0.00 C ATOM 842 CE LYS A 54 8.720 -9.823 1.845 1.00 0.00 C ATOM 843 NZ LYS A 54 9.389 -11.145 1.693 1.00 0.00 N ATOM 0 H LYS A 54 7.507 -5.322 2.225 1.00 0.00 H new ATOM 0 HA LYS A 54 6.097 -6.424 4.605 1.00 0.00 H new ATOM 0 HB2 LYS A 54 8.623 -7.363 3.208 1.00 0.00 H new ATOM 0 HB3 LYS A 54 7.996 -8.018 4.707 1.00 0.00 H new ATOM 0 HG2 LYS A 54 5.897 -8.675 3.486 1.00 0.00 H new ATOM 0 HG3 LYS A 54 6.631 -8.120 1.995 1.00 0.00 H new ATOM 0 HD2 LYS A 54 7.895 -10.233 3.787 1.00 0.00 H new ATOM 0 HD3 LYS A 54 6.821 -10.623 2.458 1.00 0.00 H new ATOM 0 HE2 LYS A 54 8.370 -9.480 0.872 1.00 0.00 H new ATOM 0 HE3 LYS A 54 9.443 -9.089 2.201 1.00 0.00 H new ATOM 0 HZ1 LYS A 54 9.979 -11.139 0.837 1.00 0.00 H new ATOM 0 HZ2 LYS A 54 9.987 -11.329 2.524 1.00 0.00 H new ATOM 0 HZ3 LYS A 54 8.669 -11.891 1.612 1.00 0.00 H new ATOM 857 N GLY A 55 9.001 -5.874 5.520 1.00 0.00 N ATOM 858 CA GLY A 55 9.901 -5.099 6.367 1.00 0.00 C ATOM 859 C GLY A 55 9.250 -4.612 7.647 1.00 0.00 C ATOM 860 O GLY A 55 8.526 -5.361 8.307 1.00 0.00 O ATOM 0 H GLY A 55 9.270 -6.850 5.400 1.00 0.00 H new ATOM 0 HA2 GLY A 55 10.768 -5.710 6.618 1.00 0.00 H new ATOM 0 HA3 GLY A 55 10.268 -4.240 5.805 1.00 0.00 H new ATOM 864 N ARG A 56 9.509 -3.347 7.986 1.00 0.00 N ATOM 865 CA ARG A 56 8.950 -2.732 9.190 1.00 0.00 C ATOM 866 C ARG A 56 7.570 -2.138 8.903 1.00 0.00 C ATOM 867 O ARG A 56 6.924 -1.587 9.799 1.00 0.00 O ATOM 868 CB ARG A 56 9.886 -1.638 9.735 1.00 0.00 C ATOM 869 CG ARG A 56 11.203 -2.155 10.312 1.00 0.00 C ATOM 870 CD ARG A 56 12.242 -2.432 9.233 1.00 0.00 C ATOM 871 NE ARG A 56 13.503 -2.915 9.797 1.00 0.00 N ATOM 872 CZ ARG A 56 14.582 -3.231 9.073 1.00 0.00 C ATOM 873 NH1 ARG A 56 14.570 -3.121 7.747 1.00 0.00 N ATOM 874 NH2 ARG A 56 15.679 -3.659 9.681 1.00 0.00 N ATOM 0 H ARG A 56 10.106 -2.726 7.439 1.00 0.00 H new ATOM 0 HA ARG A 56 8.849 -3.512 9.945 1.00 0.00 H new ATOM 0 HB2 ARG A 56 10.108 -0.935 8.932 1.00 0.00 H new ATOM 0 HB3 ARG A 56 9.359 -1.081 10.510 1.00 0.00 H new ATOM 0 HG2 ARG A 56 11.600 -1.423 11.015 1.00 0.00 H new ATOM 0 HG3 ARG A 56 11.016 -3.069 10.875 1.00 0.00 H new ATOM 0 HD2 ARG A 56 11.851 -3.171 8.534 1.00 0.00 H new ATOM 0 HD3 ARG A 56 12.425 -1.521 8.664 1.00 0.00 H new ATOM 0 HE ARG A 56 13.563 -3.017 10.810 1.00 0.00 H new ATOM 0 HH11 ARG A 56 13.730 -2.792 7.270 1.00 0.00 H new ATOM 0 HH12 ARG A 56 15.400 -3.366 7.207 1.00 0.00 H new ATOM 0 HH21 ARG A 56 15.698 -3.746 10.697 1.00 0.00 H new ATOM 0 HH22 ARG A 56 16.504 -3.901 9.133 1.00 0.00 H new ATOM 888 N GLY A 57 7.129 -2.261 7.649 1.00 0.00 N ATOM 889 CA GLY A 57 5.833 -1.744 7.245 1.00 0.00 C ATOM 890 C GLY A 57 5.043 -2.756 6.440 1.00 0.00 C ATOM 891 O GLY A 57 4.714 -2.510 5.276 1.00 0.00 O ATOM 0 H GLY A 57 7.654 -2.715 6.902 1.00 0.00 H new ATOM 0 HA2 GLY A 57 5.264 -1.461 8.130 1.00 0.00 H new ATOM 0 HA3 GLY A 57 5.972 -0.839 6.653 1.00 0.00 H new ATOM 895 N ARG A 58 4.753 -3.904 7.061 1.00 0.00 N ATOM 896 CA ARG A 58 4.013 -4.981 6.403 1.00 0.00 C ATOM 897 C ARG A 58 2.530 -4.637 6.212 1.00 0.00 C ATOM 898 O ARG A 58 1.798 -5.389 5.561 1.00 0.00 O ATOM 899 CB ARG A 58 4.164 -6.309 7.176 1.00 0.00 C ATOM 900 CG ARG A 58 3.408 -6.404 8.499 1.00 0.00 C ATOM 901 CD ARG A 58 4.192 -5.833 9.673 1.00 0.00 C ATOM 902 NE ARG A 58 3.995 -4.390 9.827 1.00 0.00 N ATOM 903 CZ ARG A 58 4.533 -3.657 10.806 1.00 0.00 C ATOM 904 NH1 ARG A 58 5.314 -4.215 11.728 1.00 0.00 N ATOM 905 NH2 ARG A 58 4.289 -2.355 10.864 1.00 0.00 N ATOM 0 H ARG A 58 5.022 -4.110 8.023 1.00 0.00 H new ATOM 0 HA ARG A 58 4.449 -5.101 5.411 1.00 0.00 H new ATOM 0 HB2 ARG A 58 3.830 -7.122 6.531 1.00 0.00 H new ATOM 0 HB3 ARG A 58 5.223 -6.473 7.373 1.00 0.00 H new ATOM 0 HG2 ARG A 58 2.460 -5.873 8.409 1.00 0.00 H new ATOM 0 HG3 ARG A 58 3.170 -7.448 8.701 1.00 0.00 H new ATOM 0 HD2 ARG A 58 3.888 -6.338 10.590 1.00 0.00 H new ATOM 0 HD3 ARG A 58 5.253 -6.039 9.532 1.00 0.00 H new ATOM 0 HE ARG A 58 3.409 -3.913 9.142 1.00 0.00 H new ATOM 0 HH11 ARG A 58 5.509 -5.216 11.693 1.00 0.00 H new ATOM 0 HH12 ARG A 58 5.717 -3.642 12.469 1.00 0.00 H new ATOM 0 HH21 ARG A 58 3.692 -1.916 10.163 1.00 0.00 H new ATOM 0 HH22 ARG A 58 4.698 -1.792 11.610 1.00 0.00 H new ATOM 919 N LEU A 59 2.095 -3.503 6.766 1.00 0.00 N ATOM 920 CA LEU A 59 0.705 -3.074 6.638 1.00 0.00 C ATOM 921 C LEU A 59 0.546 -2.068 5.494 1.00 0.00 C ATOM 922 O LEU A 59 -0.558 -1.580 5.236 1.00 0.00 O ATOM 923 CB LEU A 59 0.182 -2.501 7.972 1.00 0.00 C ATOM 924 CG LEU A 59 0.944 -1.295 8.543 1.00 0.00 C ATOM 925 CD1 LEU A 59 0.276 0.012 8.136 1.00 0.00 C ATOM 926 CD2 LEU A 59 1.033 -1.396 10.059 1.00 0.00 C ATOM 0 H LEU A 59 2.685 -2.869 7.305 1.00 0.00 H new ATOM 0 HA LEU A 59 0.100 -3.947 6.394 1.00 0.00 H new ATOM 0 HB2 LEU A 59 -0.860 -2.213 7.835 1.00 0.00 H new ATOM 0 HB3 LEU A 59 0.197 -3.298 8.715 1.00 0.00 H new ATOM 0 HG LEU A 59 1.953 -1.303 8.131 1.00 0.00 H new ATOM 0 HD11 LEU A 59 0.834 0.851 8.552 1.00 0.00 H new ATOM 0 HD12 LEU A 59 0.261 0.090 7.049 1.00 0.00 H new ATOM 0 HD13 LEU A 59 -0.746 0.032 8.515 1.00 0.00 H new ATOM 0 HD21 LEU A 59 1.575 -0.535 10.450 1.00 0.00 H new ATOM 0 HD22 LEU A 59 0.029 -1.415 10.482 1.00 0.00 H new ATOM 0 HD23 LEU A 59 1.559 -2.311 10.332 1.00 0.00 H new ATOM 938 N PHE A 60 1.654 -1.776 4.803 1.00 0.00 N ATOM 939 CA PHE A 60 1.635 -0.842 3.679 1.00 0.00 C ATOM 940 C PHE A 60 1.524 -1.591 2.354 1.00 0.00 C ATOM 941 O PHE A 60 2.363 -2.437 2.028 1.00 0.00 O ATOM 942 CB PHE A 60 2.884 0.052 3.671 1.00 0.00 C ATOM 943 CG PHE A 60 2.910 1.094 4.761 1.00 0.00 C ATOM 944 CD1 PHE A 60 3.376 0.789 6.031 1.00 0.00 C ATOM 945 CD2 PHE A 60 2.483 2.389 4.504 1.00 0.00 C ATOM 946 CE1 PHE A 60 3.409 1.751 7.023 1.00 0.00 C ATOM 947 CE2 PHE A 60 2.516 3.354 5.492 1.00 0.00 C ATOM 948 CZ PHE A 60 2.979 3.035 6.754 1.00 0.00 C ATOM 0 H PHE A 60 2.571 -2.174 5.004 1.00 0.00 H new ATOM 0 HA PHE A 60 0.759 -0.205 3.800 1.00 0.00 H new ATOM 0 HB2 PHE A 60 3.768 -0.578 3.766 1.00 0.00 H new ATOM 0 HB3 PHE A 60 2.952 0.552 2.705 1.00 0.00 H new ATOM 0 HD1 PHE A 60 3.717 -0.212 6.248 1.00 0.00 H new ATOM 0 HD2 PHE A 60 2.120 2.646 3.520 1.00 0.00 H new ATOM 0 HE1 PHE A 60 3.771 1.498 8.009 1.00 0.00 H new ATOM 0 HE2 PHE A 60 2.180 4.358 5.278 1.00 0.00 H new ATOM 0 HZ PHE A 60 3.004 3.788 7.528 1.00 0.00 H new ATOM 958 N TRP A 61 0.476 -1.269 1.599 1.00 0.00 N ATOM 959 CA TRP A 61 0.226 -1.896 0.303 1.00 0.00 C ATOM 960 C TRP A 61 0.436 -0.894 -0.828 1.00 0.00 C ATOM 961 O TRP A 61 0.797 0.258 -0.581 1.00 0.00 O ATOM 962 CB TRP A 61 -1.202 -2.471 0.262 1.00 0.00 C ATOM 963 CG TRP A 61 -1.388 -3.776 1.009 1.00 0.00 C ATOM 964 CD1 TRP A 61 -0.440 -4.500 1.691 1.00 0.00 C ATOM 965 CD2 TRP A 61 -2.616 -4.505 1.160 1.00 0.00 C ATOM 966 NE1 TRP A 61 -1.000 -5.630 2.227 1.00 0.00 N ATOM 967 CE2 TRP A 61 -2.333 -5.654 1.925 1.00 0.00 C ATOM 968 CE3 TRP A 61 -3.927 -4.298 0.720 1.00 0.00 C ATOM 969 CZ2 TRP A 61 -3.310 -6.588 2.257 1.00 0.00 C ATOM 970 CZ3 TRP A 61 -4.894 -5.227 1.052 1.00 0.00 C ATOM 971 CH2 TRP A 61 -4.582 -6.359 1.814 1.00 0.00 C ATOM 0 H TRP A 61 -0.219 -0.572 1.865 1.00 0.00 H new ATOM 0 HA TRP A 61 0.935 -2.713 0.167 1.00 0.00 H new ATOM 0 HB2 TRP A 61 -1.887 -1.732 0.676 1.00 0.00 H new ATOM 0 HB3 TRP A 61 -1.487 -2.622 -0.779 1.00 0.00 H new ATOM 0 HD1 TRP A 61 0.598 -4.219 1.790 1.00 0.00 H new ATOM 0 HE1 TRP A 61 -0.502 -6.339 2.765 1.00 0.00 H new ATOM 0 HE3 TRP A 61 -4.179 -3.428 0.132 1.00 0.00 H new ATOM 0 HZ2 TRP A 61 -3.071 -7.463 2.844 1.00 0.00 H new ATOM 0 HZ3 TRP A 61 -5.910 -5.077 0.717 1.00 0.00 H new ATOM 0 HH2 TRP A 61 -5.362 -7.065 2.057 1.00 0.00 H new ATOM 982 N GLY A 62 0.215 -1.343 -2.064 1.00 0.00 N ATOM 983 CA GLY A 62 0.387 -0.477 -3.218 1.00 0.00 C ATOM 984 C GLY A 62 -0.282 -1.034 -4.456 1.00 0.00 C ATOM 985 O GLY A 62 -0.618 -2.217 -4.497 1.00 0.00 O ATOM 0 H GLY A 62 -0.081 -2.294 -2.285 1.00 0.00 H new ATOM 0 HA2 GLY A 62 -0.025 0.507 -2.996 1.00 0.00 H new ATOM 0 HA3 GLY A 62 1.451 -0.341 -3.412 1.00 0.00 H new ATOM 989 N GLY A 63 -0.474 -0.176 -5.460 1.00 0.00 N ATOM 990 CA GLY A 63 -1.109 -0.598 -6.697 1.00 0.00 C ATOM 991 C GLY A 63 -1.628 0.575 -7.505 1.00 0.00 C ATOM 992 O GLY A 63 -0.993 1.631 -7.551 1.00 0.00 O ATOM 0 H GLY A 63 -0.199 0.806 -5.436 1.00 0.00 H new ATOM 0 HA2 GLY A 63 -0.394 -1.161 -7.296 1.00 0.00 H new ATOM 0 HA3 GLY A 63 -1.934 -1.272 -6.468 1.00 0.00 H new ATOM 996 N SER A 64 -2.783 0.384 -8.140 1.00 0.00 N ATOM 997 CA SER A 64 -3.399 1.428 -8.954 1.00 0.00 C ATOM 998 C SER A 64 -4.882 1.562 -8.624 1.00 0.00 C ATOM 999 O SER A 64 -5.597 0.562 -8.534 1.00 0.00 O ATOM 1000 CB SER A 64 -3.215 1.119 -10.442 1.00 0.00 C ATOM 1001 OG SER A 64 -3.864 -0.086 -10.802 1.00 0.00 O ATOM 0 H SER A 64 -3.312 -0.487 -8.106 1.00 0.00 H new ATOM 0 HA SER A 64 -2.908 2.374 -8.728 1.00 0.00 H new ATOM 0 HB2 SER A 64 -3.613 1.941 -11.038 1.00 0.00 H new ATOM 0 HB3 SER A 64 -2.152 1.044 -10.671 1.00 0.00 H new ATOM 0 HG SER A 64 -3.306 -0.848 -10.541 1.00 0.00 H new ATOM 1007 N VAL A 65 -5.331 2.803 -8.435 1.00 0.00 N ATOM 1008 CA VAL A 65 -6.729 3.075 -8.103 1.00 0.00 C ATOM 1009 C VAL A 65 -7.567 3.336 -9.362 1.00 0.00 C ATOM 1010 O VAL A 65 -7.226 4.182 -10.193 1.00 0.00 O ATOM 1011 CB VAL A 65 -6.856 4.262 -7.097 1.00 0.00 C ATOM 1012 CG1 VAL A 65 -6.169 5.521 -7.621 1.00 0.00 C ATOM 1013 CG2 VAL A 65 -8.316 4.549 -6.761 1.00 0.00 C ATOM 0 H VAL A 65 -4.746 3.636 -8.506 1.00 0.00 H new ATOM 0 HA VAL A 65 -7.123 2.181 -7.619 1.00 0.00 H new ATOM 0 HB VAL A 65 -6.348 3.961 -6.181 1.00 0.00 H new ATOM 0 HG11 VAL A 65 -6.279 6.325 -6.893 1.00 0.00 H new ATOM 0 HG12 VAL A 65 -5.110 5.318 -7.780 1.00 0.00 H new ATOM 0 HG13 VAL A 65 -6.627 5.820 -8.564 1.00 0.00 H new ATOM 0 HG21 VAL A 65 -8.371 5.381 -6.058 1.00 0.00 H new ATOM 0 HG22 VAL A 65 -8.855 4.808 -7.672 1.00 0.00 H new ATOM 0 HG23 VAL A 65 -8.767 3.664 -6.312 1.00 0.00 H new ATOM 1023 N GLN A 66 -8.673 2.597 -9.482 1.00 0.00 N ATOM 1024 CA GLN A 66 -9.577 2.741 -10.621 1.00 0.00 C ATOM 1025 C GLN A 66 -10.800 3.578 -10.232 1.00 0.00 C ATOM 1026 O GLN A 66 -11.231 3.567 -9.075 1.00 0.00 O ATOM 1027 CB GLN A 66 -10.006 1.362 -11.151 1.00 0.00 C ATOM 1028 CG GLN A 66 -10.953 1.433 -12.344 1.00 0.00 C ATOM 1029 CD GLN A 66 -11.105 0.114 -13.068 1.00 0.00 C ATOM 1030 OE1 GLN A 66 -11.552 -0.880 -12.497 1.00 0.00 O ATOM 1031 NE2 GLN A 66 -10.741 0.109 -14.342 1.00 0.00 N ATOM 0 H GLN A 66 -8.962 1.893 -8.803 1.00 0.00 H new ATOM 0 HA GLN A 66 -9.046 3.261 -11.419 1.00 0.00 H new ATOM 0 HB2 GLN A 66 -9.117 0.799 -11.437 1.00 0.00 H new ATOM 0 HB3 GLN A 66 -10.489 0.807 -10.347 1.00 0.00 H new ATOM 0 HG2 GLN A 66 -11.933 1.766 -12.002 1.00 0.00 H new ATOM 0 HG3 GLN A 66 -10.588 2.184 -13.045 1.00 0.00 H new ATOM 0 HE21 GLN A 66 -10.376 0.959 -14.771 1.00 0.00 H new ATOM 0 HE22 GLN A 66 -10.826 -0.745 -14.893 1.00 0.00 H new ATOM 1040 N GLY A 67 -11.344 4.301 -11.212 1.00 0.00 N ATOM 1041 CA GLY A 67 -12.507 5.141 -10.982 1.00 0.00 C ATOM 1042 C GLY A 67 -12.668 6.208 -12.049 1.00 0.00 C ATOM 1043 O GLY A 67 -13.732 6.819 -12.167 1.00 0.00 O ATOM 0 H GLY A 67 -10.994 4.318 -12.170 1.00 0.00 H new ATOM 0 HA2 GLY A 67 -13.402 4.519 -10.956 1.00 0.00 H new ATOM 0 HA3 GLY A 67 -12.421 5.617 -10.005 1.00 0.00 H new ATOM 1047 N ASP A 68 -11.602 6.427 -12.827 1.00 0.00 N ATOM 1048 CA ASP A 68 -11.608 7.424 -13.897 1.00 0.00 C ATOM 1049 C ASP A 68 -10.998 6.845 -15.165 1.00 0.00 C ATOM 1050 O ASP A 68 -11.543 7.004 -16.260 1.00 0.00 O ATOM 1051 CB ASP A 68 -10.837 8.682 -13.473 1.00 0.00 C ATOM 1052 CG ASP A 68 -11.520 9.456 -12.357 1.00 0.00 C ATOM 1053 OD1 ASP A 68 -11.594 8.935 -11.225 1.00 0.00 O ATOM 1054 OD2 ASP A 68 -11.981 10.587 -12.620 1.00 0.00 O ATOM 0 H ASP A 68 -10.721 5.923 -12.732 1.00 0.00 H new ATOM 0 HA ASP A 68 -12.643 7.701 -14.096 1.00 0.00 H new ATOM 0 HB2 ASP A 68 -9.837 8.395 -13.148 1.00 0.00 H new ATOM 0 HB3 ASP A 68 -10.716 9.335 -14.338 1.00 0.00 H new ATOM 1059 N TYR A 69 -9.861 6.170 -14.978 1.00 0.00 N ATOM 1060 CA TYR A 69 -9.102 5.520 -16.059 1.00 0.00 C ATOM 1061 C TYR A 69 -8.732 6.508 -17.177 1.00 0.00 C ATOM 1062 O TYR A 69 -9.426 6.610 -18.195 1.00 0.00 O ATOM 1063 CB TYR A 69 -9.880 4.312 -16.623 1.00 0.00 C ATOM 1064 CG TYR A 69 -9.072 3.409 -17.545 1.00 0.00 C ATOM 1065 CD1 TYR A 69 -7.915 2.771 -17.102 1.00 0.00 C ATOM 1066 CD2 TYR A 69 -9.476 3.192 -18.856 1.00 0.00 C ATOM 1067 CE1 TYR A 69 -7.187 1.950 -17.941 1.00 0.00 C ATOM 1068 CE2 TYR A 69 -8.752 2.369 -19.700 1.00 0.00 C ATOM 1069 CZ TYR A 69 -7.610 1.752 -19.238 1.00 0.00 C ATOM 1070 OH TYR A 69 -6.888 0.933 -20.075 1.00 0.00 O ATOM 0 H TYR A 69 -9.432 6.056 -14.060 1.00 0.00 H new ATOM 0 HA TYR A 69 -8.168 5.158 -15.629 1.00 0.00 H new ATOM 0 HB2 TYR A 69 -10.254 3.717 -15.790 1.00 0.00 H new ATOM 0 HB3 TYR A 69 -10.750 4.679 -17.168 1.00 0.00 H new ATOM 0 HD1 TYR A 69 -7.582 2.921 -16.086 1.00 0.00 H new ATOM 0 HD2 TYR A 69 -10.370 3.674 -19.223 1.00 0.00 H new ATOM 0 HE1 TYR A 69 -6.291 1.466 -17.583 1.00 0.00 H new ATOM 0 HE2 TYR A 69 -9.081 2.211 -20.717 1.00 0.00 H new ATOM 0 HH TYR A 69 -7.321 0.899 -20.953 1.00 0.00 H new ATOM 1080 N TYR A 70 -7.623 7.223 -16.975 1.00 0.00 N ATOM 1081 CA TYR A 70 -7.128 8.196 -17.954 1.00 0.00 C ATOM 1082 C TYR A 70 -5.680 7.894 -18.335 1.00 0.00 C ATOM 1083 O TYR A 70 -5.149 8.470 -19.288 1.00 0.00 O ATOM 1084 CB TYR A 70 -7.232 9.631 -17.412 1.00 0.00 C ATOM 1085 CG TYR A 70 -8.594 10.280 -17.585 1.00 0.00 C ATOM 1086 CD1 TYR A 70 -9.698 9.867 -16.845 1.00 0.00 C ATOM 1087 CD2 TYR A 70 -8.769 11.322 -18.489 1.00 0.00 C ATOM 1088 CE1 TYR A 70 -10.932 10.469 -17.003 1.00 0.00 C ATOM 1089 CE2 TYR A 70 -10.000 11.930 -18.651 1.00 0.00 C ATOM 1090 CZ TYR A 70 -11.077 11.500 -17.907 1.00 0.00 C ATOM 1091 OH TYR A 70 -12.304 12.102 -18.066 1.00 0.00 O ATOM 0 H TYR A 70 -7.047 7.146 -16.137 1.00 0.00 H new ATOM 0 HA TYR A 70 -7.754 8.113 -18.843 1.00 0.00 H new ATOM 0 HB2 TYR A 70 -6.981 9.623 -16.351 1.00 0.00 H new ATOM 0 HB3 TYR A 70 -6.485 10.248 -17.911 1.00 0.00 H new ATOM 0 HD1 TYR A 70 -9.588 9.061 -16.134 1.00 0.00 H new ATOM 0 HD2 TYR A 70 -7.928 11.662 -19.075 1.00 0.00 H new ATOM 0 HE1 TYR A 70 -11.778 10.134 -16.422 1.00 0.00 H new ATOM 0 HE2 TYR A 70 -10.117 12.738 -19.358 1.00 0.00 H new ATOM 0 HH TYR A 70 -12.236 12.810 -18.740 1.00 0.00 H new ATOM 1101 N GLY A 71 -5.053 6.990 -17.581 1.00 0.00 N ATOM 1102 CA GLY A 71 -3.671 6.616 -17.840 1.00 0.00 C ATOM 1103 C GLY A 71 -2.681 7.479 -17.081 1.00 0.00 C ATOM 1104 O GLY A 71 -1.486 7.472 -17.385 1.00 0.00 O ATOM 0 H GLY A 71 -5.482 6.508 -16.791 1.00 0.00 H new ATOM 0 HA2 GLY A 71 -3.523 5.572 -17.564 1.00 0.00 H new ATOM 0 HA3 GLY A 71 -3.471 6.695 -18.909 1.00 0.00 H new ATOM 1108 N ASP A 72 -3.182 8.225 -16.092 1.00 0.00 N ATOM 1109 CA ASP A 72 -2.343 9.104 -15.279 1.00 0.00 C ATOM 1110 C ASP A 72 -2.459 8.759 -13.795 1.00 0.00 C ATOM 1111 O ASP A 72 -1.622 9.174 -12.989 1.00 0.00 O ATOM 1112 CB ASP A 72 -2.728 10.572 -15.498 1.00 0.00 C ATOM 1113 CG ASP A 72 -2.480 11.044 -16.921 1.00 0.00 C ATOM 1114 OD1 ASP A 72 -3.142 10.529 -17.846 1.00 0.00 O ATOM 1115 OD2 ASP A 72 -1.621 11.932 -17.108 1.00 0.00 O ATOM 0 H ASP A 72 -4.169 8.236 -15.836 1.00 0.00 H new ATOM 0 HA ASP A 72 -1.309 8.954 -15.591 1.00 0.00 H new ATOM 0 HB2 ASP A 72 -3.782 10.706 -15.255 1.00 0.00 H new ATOM 0 HB3 ASP A 72 -2.160 11.198 -14.809 1.00 0.00 H new ATOM 1120 N LEU A 73 -3.501 8.002 -13.443 1.00 0.00 N ATOM 1121 CA LEU A 73 -3.733 7.602 -12.055 1.00 0.00 C ATOM 1122 C LEU A 73 -3.605 6.087 -11.868 1.00 0.00 C ATOM 1123 O LEU A 73 -3.668 5.588 -10.741 1.00 0.00 O ATOM 1124 CB LEU A 73 -5.110 8.108 -11.522 1.00 0.00 C ATOM 1125 CG LEU A 73 -6.358 8.066 -12.458 1.00 0.00 C ATOM 1126 CD1 LEU A 73 -6.285 9.142 -13.538 1.00 0.00 C ATOM 1127 CD2 LEU A 73 -6.573 6.690 -13.085 1.00 0.00 C ATOM 0 H LEU A 73 -4.198 7.654 -14.102 1.00 0.00 H new ATOM 0 HA LEU A 73 -2.952 8.079 -11.463 1.00 0.00 H new ATOM 0 HB2 LEU A 73 -5.350 7.526 -10.632 1.00 0.00 H new ATOM 0 HB3 LEU A 73 -4.977 9.141 -11.201 1.00 0.00 H new ATOM 0 HG LEU A 73 -7.221 8.272 -11.825 1.00 0.00 H new ATOM 0 HD11 LEU A 73 -7.170 9.083 -14.171 1.00 0.00 H new ATOM 0 HD12 LEU A 73 -6.239 10.125 -13.070 1.00 0.00 H new ATOM 0 HD13 LEU A 73 -5.393 8.988 -14.146 1.00 0.00 H new ATOM 0 HD21 LEU A 73 -7.454 6.716 -13.727 1.00 0.00 H new ATOM 0 HD22 LEU A 73 -5.700 6.420 -13.679 1.00 0.00 H new ATOM 0 HD23 LEU A 73 -6.719 5.950 -12.298 1.00 0.00 H new ATOM 1139 N ALA A 74 -3.425 5.363 -12.977 1.00 0.00 N ATOM 1140 CA ALA A 74 -3.288 3.908 -12.934 1.00 0.00 C ATOM 1141 C ALA A 74 -2.145 3.428 -13.830 1.00 0.00 C ATOM 1142 O ALA A 74 -2.209 2.341 -14.415 1.00 0.00 O ATOM 1143 CB ALA A 74 -4.602 3.245 -13.329 1.00 0.00 C ATOM 0 H ALA A 74 -3.371 5.763 -13.914 1.00 0.00 H new ATOM 0 HA ALA A 74 -3.044 3.620 -11.911 1.00 0.00 H new ATOM 0 HB1 ALA A 74 -4.488 2.162 -13.293 1.00 0.00 H new ATOM 0 HB2 ALA A 74 -5.386 3.550 -12.636 1.00 0.00 H new ATOM 0 HB3 ALA A 74 -4.873 3.548 -14.340 1.00 0.00 H new ATOM 1149 N ALA A 75 -1.096 4.248 -13.931 1.00 0.00 N ATOM 1150 CA ALA A 75 0.067 3.917 -14.752 1.00 0.00 C ATOM 1151 C ALA A 75 1.372 4.326 -14.070 1.00 0.00 C ATOM 1152 O ALA A 75 2.458 4.116 -14.619 1.00 0.00 O ATOM 1153 CB ALA A 75 -0.049 4.582 -16.117 1.00 0.00 C ATOM 0 H ALA A 75 -1.030 5.147 -13.453 1.00 0.00 H new ATOM 0 HA ALA A 75 0.088 2.835 -14.882 1.00 0.00 H new ATOM 0 HB1 ALA A 75 0.823 4.329 -16.720 1.00 0.00 H new ATOM 0 HB2 ALA A 75 -0.951 4.231 -16.617 1.00 0.00 H new ATOM 0 HB3 ALA A 75 -0.102 5.663 -15.992 1.00 0.00 H new ATOM 1159 N ARG A 76 1.262 4.912 -12.873 1.00 0.00 N ATOM 1160 CA ARG A 76 2.437 5.354 -12.121 1.00 0.00 C ATOM 1161 C ARG A 76 2.700 4.470 -10.907 1.00 0.00 C ATOM 1162 O ARG A 76 3.812 4.458 -10.375 1.00 0.00 O ATOM 1163 CB ARG A 76 2.282 6.821 -11.691 1.00 0.00 C ATOM 1164 CG ARG A 76 1.034 7.097 -10.861 1.00 0.00 C ATOM 1165 CD ARG A 76 0.951 8.556 -10.443 1.00 0.00 C ATOM 1166 NE ARG A 76 -0.257 8.836 -9.665 1.00 0.00 N ATOM 1167 CZ ARG A 76 -0.577 10.038 -9.176 1.00 0.00 C ATOM 1168 NH1 ARG A 76 0.213 11.091 -9.376 1.00 0.00 N ATOM 1169 NH2 ARG A 76 -1.697 10.188 -8.481 1.00 0.00 N ATOM 0 H ARG A 76 0.373 5.090 -12.407 1.00 0.00 H new ATOM 0 HA ARG A 76 3.298 5.268 -12.783 1.00 0.00 H new ATOM 0 HB2 ARG A 76 3.160 7.115 -11.116 1.00 0.00 H new ATOM 0 HB3 ARG A 76 2.259 7.449 -12.582 1.00 0.00 H new ATOM 0 HG2 ARG A 76 0.147 6.832 -11.437 1.00 0.00 H new ATOM 0 HG3 ARG A 76 1.039 6.464 -9.974 1.00 0.00 H new ATOM 0 HD2 ARG A 76 1.830 8.815 -9.853 1.00 0.00 H new ATOM 0 HD3 ARG A 76 0.965 9.189 -11.330 1.00 0.00 H new ATOM 0 HE ARG A 76 -0.897 8.063 -9.484 1.00 0.00 H new ATOM 0 HH11 ARG A 76 1.076 10.987 -9.909 1.00 0.00 H new ATOM 0 HH12 ARG A 76 -0.045 12.002 -8.996 1.00 0.00 H new ATOM 0 HH21 ARG A 76 -2.309 9.388 -8.322 1.00 0.00 H new ATOM 0 HH22 ARG A 76 -1.946 11.103 -8.106 1.00 0.00 H new ATOM 1183 N LEU A 77 1.660 3.740 -10.497 1.00 0.00 N ATOM 1184 CA LEU A 77 1.703 2.821 -9.342 1.00 0.00 C ATOM 1185 C LEU A 77 2.122 3.526 -8.048 1.00 0.00 C ATOM 1186 O LEU A 77 3.302 3.823 -7.836 1.00 0.00 O ATOM 1187 CB LEU A 77 2.619 1.615 -9.619 1.00 0.00 C ATOM 1188 CG LEU A 77 2.057 0.570 -10.596 1.00 0.00 C ATOM 1189 CD1 LEU A 77 3.123 -0.451 -10.953 1.00 0.00 C ATOM 1190 CD2 LEU A 77 0.843 -0.131 -9.999 1.00 0.00 C ATOM 0 H LEU A 77 0.751 3.766 -10.959 1.00 0.00 H new ATOM 0 HA LEU A 77 0.685 2.458 -9.200 1.00 0.00 H new ATOM 0 HB2 LEU A 77 3.566 1.983 -10.013 1.00 0.00 H new ATOM 0 HB3 LEU A 77 2.838 1.121 -8.672 1.00 0.00 H new ATOM 0 HG LEU A 77 1.747 1.088 -11.503 1.00 0.00 H new ATOM 0 HD11 LEU A 77 2.708 -1.183 -11.645 1.00 0.00 H new ATOM 0 HD12 LEU A 77 3.968 0.054 -11.422 1.00 0.00 H new ATOM 0 HD13 LEU A 77 3.459 -0.957 -10.048 1.00 0.00 H new ATOM 0 HD21 LEU A 77 0.462 -0.866 -10.708 1.00 0.00 H new ATOM 0 HD22 LEU A 77 1.130 -0.633 -9.075 1.00 0.00 H new ATOM 0 HD23 LEU A 77 0.067 0.604 -9.786 1.00 0.00 H new ATOM 1202 N GLY A 78 1.140 3.776 -7.181 1.00 0.00 N ATOM 1203 CA GLY A 78 1.405 4.431 -5.911 1.00 0.00 C ATOM 1204 C GLY A 78 1.239 3.488 -4.738 1.00 0.00 C ATOM 1205 O GLY A 78 1.257 2.270 -4.918 1.00 0.00 O ATOM 0 H GLY A 78 0.162 3.535 -7.338 1.00 0.00 H new ATOM 0 HA2 GLY A 78 2.419 4.830 -5.914 1.00 0.00 H new ATOM 0 HA3 GLY A 78 0.730 5.278 -5.793 1.00 0.00 H new ATOM 1209 N TYR A 79 1.079 4.050 -3.535 1.00 0.00 N ATOM 1210 CA TYR A 79 0.910 3.245 -2.323 1.00 0.00 C ATOM 1211 C TYR A 79 -0.258 3.757 -1.480 1.00 0.00 C ATOM 1212 O TYR A 79 -0.653 4.926 -1.585 1.00 0.00 O ATOM 1213 CB TYR A 79 2.199 3.235 -1.479 1.00 0.00 C ATOM 1214 CG TYR A 79 3.440 2.758 -2.220 1.00 0.00 C ATOM 1215 CD1 TYR A 79 3.548 1.451 -2.689 1.00 0.00 C ATOM 1216 CD2 TYR A 79 4.500 3.622 -2.453 1.00 0.00 C ATOM 1217 CE1 TYR A 79 4.675 1.026 -3.366 1.00 0.00 C ATOM 1218 CE2 TYR A 79 5.630 3.206 -3.128 1.00 0.00 C ATOM 1219 CZ TYR A 79 5.713 1.907 -3.584 1.00 0.00 C ATOM 1220 OH TYR A 79 6.838 1.488 -4.257 1.00 0.00 O ATOM 0 H TYR A 79 1.063 5.057 -3.376 1.00 0.00 H new ATOM 0 HA TYR A 79 0.692 2.225 -2.639 1.00 0.00 H new ATOM 0 HB2 TYR A 79 2.380 4.243 -1.105 1.00 0.00 H new ATOM 0 HB3 TYR A 79 2.043 2.596 -0.610 1.00 0.00 H new ATOM 0 HD1 TYR A 79 2.737 0.758 -2.521 1.00 0.00 H new ATOM 0 HD2 TYR A 79 4.440 4.641 -2.099 1.00 0.00 H new ATOM 0 HE1 TYR A 79 4.743 0.009 -3.723 1.00 0.00 H new ATOM 0 HE2 TYR A 79 6.445 3.894 -3.298 1.00 0.00 H new ATOM 0 HH TYR A 79 7.473 2.231 -4.327 1.00 0.00 H new ATOM 1230 N PHE A 80 -0.801 2.860 -0.650 1.00 0.00 N ATOM 1231 CA PHE A 80 -1.930 3.171 0.229 1.00 0.00 C ATOM 1232 C PHE A 80 -1.958 2.217 1.439 1.00 0.00 C ATOM 1233 O PHE A 80 -1.509 1.073 1.325 1.00 0.00 O ATOM 1234 CB PHE A 80 -3.261 3.098 -0.559 1.00 0.00 C ATOM 1235 CG PHE A 80 -3.483 1.816 -1.335 1.00 0.00 C ATOM 1236 CD1 PHE A 80 -4.016 0.687 -0.722 1.00 0.00 C ATOM 1237 CD2 PHE A 80 -3.155 1.744 -2.679 1.00 0.00 C ATOM 1238 CE1 PHE A 80 -4.213 -0.479 -1.436 1.00 0.00 C ATOM 1239 CE2 PHE A 80 -3.350 0.580 -3.396 1.00 0.00 C ATOM 1240 CZ PHE A 80 -3.880 -0.532 -2.774 1.00 0.00 C ATOM 0 H PHE A 80 -0.469 1.899 -0.570 1.00 0.00 H new ATOM 0 HA PHE A 80 -1.807 4.187 0.604 1.00 0.00 H new ATOM 0 HB2 PHE A 80 -4.086 3.227 0.141 1.00 0.00 H new ATOM 0 HB3 PHE A 80 -3.299 3.936 -1.255 1.00 0.00 H new ATOM 0 HD1 PHE A 80 -4.279 0.722 0.325 1.00 0.00 H new ATOM 0 HD2 PHE A 80 -2.741 2.611 -3.173 1.00 0.00 H new ATOM 0 HE1 PHE A 80 -4.627 -1.348 -0.947 1.00 0.00 H new ATOM 0 HE2 PHE A 80 -3.088 0.540 -4.443 1.00 0.00 H new ATOM 0 HZ PHE A 80 -4.034 -1.443 -3.334 1.00 0.00 H new ATOM 1250 N PRO A 81 -2.479 2.658 2.623 1.00 0.00 N ATOM 1251 CA PRO A 81 -2.543 1.808 3.820 1.00 0.00 C ATOM 1252 C PRO A 81 -3.640 0.751 3.713 1.00 0.00 C ATOM 1253 O PRO A 81 -4.750 1.041 3.266 1.00 0.00 O ATOM 1254 CB PRO A 81 -2.860 2.789 4.963 1.00 0.00 C ATOM 1255 CG PRO A 81 -2.761 4.157 4.368 1.00 0.00 C ATOM 1256 CD PRO A 81 -3.036 3.995 2.904 1.00 0.00 C ATOM 0 HA PRO A 81 -1.615 1.256 3.970 1.00 0.00 H new ATOM 0 HB2 PRO A 81 -3.857 2.610 5.366 1.00 0.00 H new ATOM 0 HB3 PRO A 81 -2.156 2.669 5.787 1.00 0.00 H new ATOM 0 HG2 PRO A 81 -3.481 4.835 4.827 1.00 0.00 H new ATOM 0 HG3 PRO A 81 -1.772 4.583 4.534 1.00 0.00 H new ATOM 0 HD2 PRO A 81 -4.102 4.046 2.683 1.00 0.00 H new ATOM 0 HD3 PRO A 81 -2.550 4.770 2.311 1.00 0.00 H new ATOM 1264 N SER A 82 -3.322 -0.477 4.126 1.00 0.00 N ATOM 1265 CA SER A 82 -4.277 -1.589 4.077 1.00 0.00 C ATOM 1266 C SER A 82 -5.460 -1.351 5.024 1.00 0.00 C ATOM 1267 O SER A 82 -6.527 -1.952 4.863 1.00 0.00 O ATOM 1268 CB SER A 82 -3.570 -2.900 4.438 1.00 0.00 C ATOM 1269 OG SER A 82 -3.147 -2.898 5.791 1.00 0.00 O ATOM 0 H SER A 82 -2.407 -0.729 4.500 1.00 0.00 H new ATOM 0 HA SER A 82 -4.668 -1.655 3.062 1.00 0.00 H new ATOM 0 HB2 SER A 82 -4.244 -3.739 4.266 1.00 0.00 H new ATOM 0 HB3 SER A 82 -2.709 -3.044 3.785 1.00 0.00 H new ATOM 0 HG SER A 82 -2.253 -2.500 5.854 1.00 0.00 H new ATOM 1275 N SER A 83 -5.253 -0.473 6.008 1.00 0.00 N ATOM 1276 CA SER A 83 -6.276 -0.144 7.001 1.00 0.00 C ATOM 1277 C SER A 83 -7.490 0.571 6.394 1.00 0.00 C ATOM 1278 O SER A 83 -8.574 0.542 6.982 1.00 0.00 O ATOM 1279 CB SER A 83 -5.667 0.723 8.106 1.00 0.00 C ATOM 1280 OG SER A 83 -6.621 1.026 9.108 1.00 0.00 O ATOM 0 H SER A 83 -4.374 0.028 6.138 1.00 0.00 H new ATOM 0 HA SER A 83 -6.633 -1.088 7.413 1.00 0.00 H new ATOM 0 HB2 SER A 83 -4.820 0.203 8.553 1.00 0.00 H new ATOM 0 HB3 SER A 83 -5.283 1.648 7.675 1.00 0.00 H new ATOM 0 HG SER A 83 -6.203 1.579 9.801 1.00 0.00 H new ATOM 1286 N ILE A 84 -7.318 1.218 5.232 1.00 0.00 N ATOM 1287 CA ILE A 84 -8.435 1.932 4.601 1.00 0.00 C ATOM 1288 C ILE A 84 -9.135 1.100 3.524 1.00 0.00 C ATOM 1289 O ILE A 84 -10.128 1.551 2.944 1.00 0.00 O ATOM 1290 CB ILE A 84 -8.015 3.293 4.001 1.00 0.00 C ATOM 1291 CG1 ILE A 84 -6.970 3.119 2.897 1.00 0.00 C ATOM 1292 CG2 ILE A 84 -7.492 4.211 5.100 1.00 0.00 C ATOM 1293 CD1 ILE A 84 -6.873 4.309 1.976 1.00 0.00 C ATOM 0 H ILE A 84 -6.437 1.262 4.720 1.00 0.00 H new ATOM 0 HA ILE A 84 -9.140 2.115 5.412 1.00 0.00 H new ATOM 0 HB ILE A 84 -8.895 3.750 3.549 1.00 0.00 H new ATOM 0 HG12 ILE A 84 -5.996 2.941 3.353 1.00 0.00 H new ATOM 0 HG13 ILE A 84 -7.215 2.233 2.311 1.00 0.00 H new ATOM 0 HG21 ILE A 84 -7.199 5.167 4.667 1.00 0.00 H new ATOM 0 HG22 ILE A 84 -8.274 4.373 5.841 1.00 0.00 H new ATOM 0 HG23 ILE A 84 -6.628 3.750 5.579 1.00 0.00 H new ATOM 0 HD11 ILE A 84 -6.114 4.120 1.217 1.00 0.00 H new ATOM 0 HD12 ILE A 84 -7.836 4.475 1.493 1.00 0.00 H new ATOM 0 HD13 ILE A 84 -6.599 5.193 2.551 1.00 0.00 H new ATOM 1305 N VAL A 85 -8.628 -0.109 3.256 1.00 0.00 N ATOM 1306 CA VAL A 85 -9.239 -0.969 2.241 1.00 0.00 C ATOM 1307 C VAL A 85 -9.810 -2.249 2.848 1.00 0.00 C ATOM 1308 O VAL A 85 -9.326 -2.737 3.872 1.00 0.00 O ATOM 1309 CB VAL A 85 -8.252 -1.330 1.096 1.00 0.00 C ATOM 1310 CG1 VAL A 85 -7.763 -0.075 0.390 1.00 0.00 C ATOM 1311 CG2 VAL A 85 -7.073 -2.152 1.607 1.00 0.00 C ATOM 0 H VAL A 85 -7.811 -0.507 3.719 1.00 0.00 H new ATOM 0 HA VAL A 85 -10.056 -0.387 1.815 1.00 0.00 H new ATOM 0 HB VAL A 85 -8.795 -1.944 0.377 1.00 0.00 H new ATOM 0 HG11 VAL A 85 -7.073 -0.351 -0.408 1.00 0.00 H new ATOM 0 HG12 VAL A 85 -8.613 0.459 -0.034 1.00 0.00 H new ATOM 0 HG13 VAL A 85 -7.251 0.569 1.105 1.00 0.00 H new ATOM 0 HG21 VAL A 85 -6.405 -2.385 0.778 1.00 0.00 H new ATOM 0 HG22 VAL A 85 -6.530 -1.581 2.360 1.00 0.00 H new ATOM 0 HG23 VAL A 85 -7.440 -3.079 2.049 1.00 0.00 H new ATOM 1321 N ARG A 86 -10.837 -2.784 2.191 1.00 0.00 N ATOM 1322 CA ARG A 86 -11.489 -4.011 2.627 1.00 0.00 C ATOM 1323 C ARG A 86 -11.471 -5.028 1.492 1.00 0.00 C ATOM 1324 O ARG A 86 -12.142 -4.843 0.473 1.00 0.00 O ATOM 1325 CB ARG A 86 -12.922 -3.725 3.076 1.00 0.00 C ATOM 1326 CG ARG A 86 -13.610 -4.926 3.703 1.00 0.00 C ATOM 1327 CD ARG A 86 -14.769 -4.493 4.574 1.00 0.00 C ATOM 1328 NE ARG A 86 -15.443 -5.629 5.202 1.00 0.00 N ATOM 1329 CZ ARG A 86 -16.497 -5.525 6.019 1.00 0.00 C ATOM 1330 NH1 ARG A 86 -17.013 -4.337 6.320 1.00 0.00 N ATOM 1331 NH2 ARG A 86 -17.037 -6.619 6.538 1.00 0.00 N ATOM 0 H ARG A 86 -11.237 -2.379 1.345 1.00 0.00 H new ATOM 0 HA ARG A 86 -10.947 -4.422 3.478 1.00 0.00 H new ATOM 0 HB2 ARG A 86 -12.913 -2.905 3.794 1.00 0.00 H new ATOM 0 HB3 ARG A 86 -13.504 -3.390 2.217 1.00 0.00 H new ATOM 0 HG2 ARG A 86 -13.969 -5.594 2.920 1.00 0.00 H new ATOM 0 HG3 ARG A 86 -12.893 -5.490 4.299 1.00 0.00 H new ATOM 0 HD2 ARG A 86 -14.407 -3.815 5.347 1.00 0.00 H new ATOM 0 HD3 ARG A 86 -15.486 -3.935 3.971 1.00 0.00 H new ATOM 0 HE ARG A 86 -15.085 -6.563 5.004 1.00 0.00 H new ATOM 0 HH11 ARG A 86 -16.605 -3.489 5.926 1.00 0.00 H new ATOM 0 HH12 ARG A 86 -17.817 -4.274 6.945 1.00 0.00 H new ATOM 0 HH21 ARG A 86 -16.649 -7.535 6.314 1.00 0.00 H new ATOM 0 HH22 ARG A 86 -17.841 -6.545 7.162 1.00 0.00 H new ATOM 1345 N GLU A 87 -10.685 -6.089 1.668 1.00 0.00 N ATOM 1346 CA GLU A 87 -10.560 -7.131 0.654 1.00 0.00 C ATOM 1347 C GLU A 87 -11.784 -8.035 0.615 1.00 0.00 C ATOM 1348 O GLU A 87 -12.215 -8.564 1.642 1.00 0.00 O ATOM 1349 CB GLU A 87 -9.297 -7.968 0.887 1.00 0.00 C ATOM 1350 CG GLU A 87 -8.004 -7.260 0.500 1.00 0.00 C ATOM 1351 CD GLU A 87 -7.873 -6.990 -0.991 1.00 0.00 C ATOM 1352 OE1 GLU A 87 -8.709 -7.487 -1.776 1.00 0.00 O ATOM 1353 OE2 GLU A 87 -6.917 -6.287 -1.378 1.00 0.00 O ATOM 0 H GLU A 87 -10.125 -6.248 2.505 1.00 0.00 H new ATOM 0 HA GLU A 87 -10.483 -6.630 -0.311 1.00 0.00 H new ATOM 0 HB2 GLU A 87 -9.246 -8.245 1.940 1.00 0.00 H new ATOM 0 HB3 GLU A 87 -9.377 -8.894 0.317 1.00 0.00 H new ATOM 0 HG2 GLU A 87 -7.944 -6.314 1.037 1.00 0.00 H new ATOM 0 HG3 GLU A 87 -7.158 -7.865 0.826 1.00 0.00 H new ATOM 1360 N ASP A 88 -12.330 -8.204 -0.590 1.00 0.00 N ATOM 1361 CA ASP A 88 -13.501 -9.046 -0.800 1.00 0.00 C ATOM 1362 C ASP A 88 -13.133 -10.302 -1.579 1.00 0.00 C ATOM 1363 O ASP A 88 -13.661 -11.382 -1.304 1.00 0.00 O ATOM 1364 CB ASP A 88 -14.598 -8.277 -1.546 1.00 0.00 C ATOM 1365 CG ASP A 88 -15.204 -7.159 -0.718 1.00 0.00 C ATOM 1366 OD1 ASP A 88 -14.473 -6.212 -0.367 1.00 0.00 O ATOM 1367 OD2 ASP A 88 -16.415 -7.234 -0.420 1.00 0.00 O ATOM 0 H ASP A 88 -11.974 -7.764 -1.439 1.00 0.00 H new ATOM 0 HA ASP A 88 -13.879 -9.338 0.180 1.00 0.00 H new ATOM 0 HB2 ASP A 88 -14.182 -7.859 -2.463 1.00 0.00 H new ATOM 0 HB3 ASP A 88 -15.385 -8.971 -1.841 1.00 0.00 H new ATOM 1372 N GLN A 89 -12.230 -10.156 -2.559 1.00 0.00 N ATOM 1373 CA GLN A 89 -11.809 -11.304 -3.381 1.00 0.00 C ATOM 1374 C GLN A 89 -10.369 -11.181 -3.885 1.00 0.00 C ATOM 1375 O GLN A 89 -9.741 -10.122 -3.778 1.00 0.00 O ATOM 1376 CB GLN A 89 -12.763 -11.493 -4.567 1.00 0.00 C ATOM 1377 CG GLN A 89 -13.023 -10.218 -5.313 1.00 0.00 C ATOM 1378 CD GLN A 89 -12.185 -10.121 -6.563 1.00 0.00 C ATOM 1379 OE1 GLN A 89 -12.586 -10.585 -7.629 1.00 0.00 O ATOM 1380 NE2 GLN A 89 -10.994 -9.556 -6.423 1.00 0.00 N ATOM 0 H GLN A 89 -11.783 -9.272 -2.801 1.00 0.00 H new ATOM 0 HA GLN A 89 -11.848 -12.180 -2.733 1.00 0.00 H new ATOM 0 HB2 GLN A 89 -12.343 -12.230 -5.252 1.00 0.00 H new ATOM 0 HB3 GLN A 89 -13.709 -11.897 -4.206 1.00 0.00 H new ATOM 0 HG2 GLN A 89 -14.079 -10.160 -5.578 1.00 0.00 H new ATOM 0 HG3 GLN A 89 -12.810 -9.368 -4.665 1.00 0.00 H new ATOM 0 HE21 GLN A 89 -10.708 -9.186 -5.516 1.00 0.00 H new ATOM 0 HE22 GLN A 89 -10.363 -9.491 -7.222 1.00 0.00 H new ATOM 1389 N THR A 90 -9.873 -12.286 -4.456 1.00 0.00 N ATOM 1390 CA THR A 90 -8.525 -12.357 -5.016 1.00 0.00 C ATOM 1391 C THR A 90 -8.610 -12.783 -6.483 1.00 0.00 C ATOM 1392 O THR A 90 -9.301 -13.749 -6.816 1.00 0.00 O ATOM 1393 CB THR A 90 -7.669 -13.355 -4.218 1.00 0.00 C ATOM 1394 OG1 THR A 90 -7.670 -13.023 -2.841 1.00 0.00 O ATOM 1395 CG2 THR A 90 -6.217 -13.426 -4.661 1.00 0.00 C ATOM 0 H THR A 90 -10.399 -13.156 -4.541 1.00 0.00 H new ATOM 0 HA THR A 90 -8.054 -11.376 -4.953 1.00 0.00 H new ATOM 0 HB THR A 90 -8.130 -14.325 -4.406 1.00 0.00 H new ATOM 0 HG1 THR A 90 -7.122 -13.669 -2.348 1.00 0.00 H new ATOM 0 HG21 THR A 90 -5.684 -14.153 -4.047 1.00 0.00 H new ATOM 0 HG22 THR A 90 -6.170 -13.730 -5.707 1.00 0.00 H new ATOM 0 HG23 THR A 90 -5.754 -12.446 -4.547 1.00 0.00 H new ATOM 1403 N LEU A 91 -7.909 -12.053 -7.350 1.00 0.00 N ATOM 1404 CA LEU A 91 -7.905 -12.347 -8.783 1.00 0.00 C ATOM 1405 C LEU A 91 -6.803 -13.348 -9.105 1.00 0.00 C ATOM 1406 O LEU A 91 -7.017 -14.312 -9.843 1.00 0.00 O ATOM 1407 CB LEU A 91 -7.694 -11.057 -9.590 1.00 0.00 C ATOM 1408 CG LEU A 91 -8.574 -9.865 -9.183 1.00 0.00 C ATOM 1409 CD1 LEU A 91 -8.106 -8.599 -9.879 1.00 0.00 C ATOM 1410 CD2 LEU A 91 -10.043 -10.126 -9.492 1.00 0.00 C ATOM 0 H LEU A 91 -7.336 -11.252 -7.085 1.00 0.00 H new ATOM 0 HA LEU A 91 -8.868 -12.778 -9.056 1.00 0.00 H new ATOM 0 HB2 LEU A 91 -6.649 -10.761 -9.500 1.00 0.00 H new ATOM 0 HB3 LEU A 91 -7.874 -11.275 -10.643 1.00 0.00 H new ATOM 0 HG LEU A 91 -8.477 -9.733 -8.105 1.00 0.00 H new ATOM 0 HD11 LEU A 91 -8.740 -7.764 -9.580 1.00 0.00 H new ATOM 0 HD12 LEU A 91 -7.074 -8.390 -9.598 1.00 0.00 H new ATOM 0 HD13 LEU A 91 -8.168 -8.733 -10.959 1.00 0.00 H new ATOM 0 HD21 LEU A 91 -10.637 -9.263 -9.192 1.00 0.00 H new ATOM 0 HD22 LEU A 91 -10.165 -10.296 -10.562 1.00 0.00 H new ATOM 0 HD23 LEU A 91 -10.379 -11.006 -8.944 1.00 0.00 H new ATOM 1422 N LYS A 92 -5.631 -13.111 -8.519 1.00 0.00 N ATOM 1423 CA LYS A 92 -4.471 -13.986 -8.698 1.00 0.00 C ATOM 1424 C LYS A 92 -3.649 -14.074 -7.404 1.00 0.00 C ATOM 1425 O LYS A 92 -3.412 -13.052 -6.760 1.00 0.00 O ATOM 1426 CB LYS A 92 -3.572 -13.511 -9.849 1.00 0.00 C ATOM 1427 CG LYS A 92 -3.887 -14.170 -11.189 1.00 0.00 C ATOM 1428 CD LYS A 92 -2.705 -14.110 -12.157 1.00 0.00 C ATOM 1429 CE LYS A 92 -1.509 -14.909 -11.651 1.00 0.00 C ATOM 1430 NZ LYS A 92 -0.368 -14.876 -12.608 1.00 0.00 N ATOM 0 H LYS A 92 -5.458 -12.312 -7.910 1.00 0.00 H new ATOM 0 HA LYS A 92 -4.853 -14.975 -8.949 1.00 0.00 H new ATOM 0 HB2 LYS A 92 -3.672 -12.431 -9.954 1.00 0.00 H new ATOM 0 HB3 LYS A 92 -2.532 -13.711 -9.592 1.00 0.00 H new ATOM 0 HG2 LYS A 92 -4.165 -15.211 -11.023 1.00 0.00 H new ATOM 0 HG3 LYS A 92 -4.749 -13.678 -11.640 1.00 0.00 H new ATOM 0 HD2 LYS A 92 -3.013 -14.495 -13.129 1.00 0.00 H new ATOM 0 HD3 LYS A 92 -2.410 -13.071 -12.305 1.00 0.00 H new ATOM 0 HE2 LYS A 92 -1.187 -14.509 -10.690 1.00 0.00 H new ATOM 0 HE3 LYS A 92 -1.810 -15.943 -11.482 1.00 0.00 H new ATOM 0 HZ1 LYS A 92 0.515 -15.090 -12.103 1.00 0.00 H new ATOM 0 HZ2 LYS A 92 -0.520 -15.584 -13.354 1.00 0.00 H new ATOM 0 HZ3 LYS A 92 -0.301 -13.931 -13.036 1.00 0.00 H new ATOM 1444 N PRO A 93 -3.202 -15.298 -6.993 1.00 0.00 N ATOM 1445 CA PRO A 93 -2.410 -15.493 -5.762 1.00 0.00 C ATOM 1446 C PRO A 93 -1.075 -14.752 -5.778 1.00 0.00 C ATOM 1447 O PRO A 93 -0.289 -14.889 -6.719 1.00 0.00 O ATOM 1448 CB PRO A 93 -2.163 -17.006 -5.747 1.00 0.00 C ATOM 1449 CG PRO A 93 -3.268 -17.569 -6.553 1.00 0.00 C ATOM 1450 CD PRO A 93 -3.432 -16.595 -7.670 1.00 0.00 C ATOM 0 HA PRO A 93 -2.933 -15.106 -4.888 1.00 0.00 H new ATOM 0 HB2 PRO A 93 -1.192 -17.254 -6.176 1.00 0.00 H new ATOM 0 HB3 PRO A 93 -2.172 -17.400 -4.731 1.00 0.00 H new ATOM 0 HG2 PRO A 93 -3.024 -18.565 -6.924 1.00 0.00 H new ATOM 0 HG3 PRO A 93 -4.182 -17.662 -5.967 1.00 0.00 H new ATOM 0 HD2 PRO A 93 -2.713 -16.769 -8.470 1.00 0.00 H new ATOM 0 HD3 PRO A 93 -4.425 -16.651 -8.116 1.00 0.00 H new ATOM 1458 N GLY A 94 -0.824 -13.984 -4.716 1.00 0.00 N ATOM 1459 CA GLY A 94 0.421 -13.242 -4.598 1.00 0.00 C ATOM 1460 C GLY A 94 1.432 -13.989 -3.757 1.00 0.00 C ATOM 1461 O GLY A 94 1.486 -13.814 -2.537 1.00 0.00 O ATOM 0 H GLY A 94 -1.466 -13.863 -3.932 1.00 0.00 H new ATOM 0 HA2 GLY A 94 0.834 -13.061 -5.590 1.00 0.00 H new ATOM 0 HA3 GLY A 94 0.224 -12.267 -4.152 1.00 0.00 H new ATOM 1465 N LYS A 95 2.212 -14.840 -4.414 1.00 0.00 N ATOM 1466 CA LYS A 95 3.218 -15.655 -3.737 1.00 0.00 C ATOM 1467 C LYS A 95 4.599 -15.537 -4.393 1.00 0.00 C ATOM 1468 O LYS A 95 5.472 -16.385 -4.178 1.00 0.00 O ATOM 1469 CB LYS A 95 2.758 -17.118 -3.697 1.00 0.00 C ATOM 1470 CG LYS A 95 2.135 -17.591 -5.002 1.00 0.00 C ATOM 1471 CD LYS A 95 1.683 -19.047 -4.941 1.00 0.00 C ATOM 1472 CE LYS A 95 2.858 -20.021 -4.902 1.00 0.00 C ATOM 1473 NZ LYS A 95 3.705 -19.925 -6.124 1.00 0.00 N ATOM 0 H LYS A 95 2.167 -14.985 -5.423 1.00 0.00 H new ATOM 0 HA LYS A 95 3.321 -15.280 -2.719 1.00 0.00 H new ATOM 0 HB2 LYS A 95 3.611 -17.753 -3.459 1.00 0.00 H new ATOM 0 HB3 LYS A 95 2.034 -17.242 -2.891 1.00 0.00 H new ATOM 0 HG2 LYS A 95 1.280 -16.959 -5.243 1.00 0.00 H new ATOM 0 HG3 LYS A 95 2.857 -17.472 -5.810 1.00 0.00 H new ATOM 0 HD2 LYS A 95 1.063 -19.195 -4.057 1.00 0.00 H new ATOM 0 HD3 LYS A 95 1.060 -19.268 -5.808 1.00 0.00 H new ATOM 0 HE2 LYS A 95 3.468 -19.818 -4.022 1.00 0.00 H new ATOM 0 HE3 LYS A 95 2.482 -21.039 -4.801 1.00 0.00 H new ATOM 0 HZ1 LYS A 95 4.316 -20.764 -6.190 1.00 0.00 H new ATOM 0 HZ2 LYS A 95 3.096 -19.873 -6.965 1.00 0.00 H new ATOM 0 HZ3 LYS A 95 4.295 -19.071 -6.071 1.00 0.00 H new ATOM 1487 N VAL A 96 4.797 -14.474 -5.179 1.00 0.00 N ATOM 1488 CA VAL A 96 6.076 -14.238 -5.852 1.00 0.00 C ATOM 1489 C VAL A 96 6.813 -13.071 -5.188 1.00 0.00 C ATOM 1490 O VAL A 96 6.401 -11.915 -5.312 1.00 0.00 O ATOM 1491 CB VAL A 96 5.887 -13.952 -7.367 1.00 0.00 C ATOM 1492 CG1 VAL A 96 7.234 -13.825 -8.074 1.00 0.00 C ATOM 1493 CG2 VAL A 96 5.044 -15.040 -8.019 1.00 0.00 C ATOM 0 H VAL A 96 4.088 -13.765 -5.364 1.00 0.00 H new ATOM 0 HA VAL A 96 6.671 -15.146 -5.757 1.00 0.00 H new ATOM 0 HB VAL A 96 5.362 -13.002 -7.465 1.00 0.00 H new ATOM 0 HG11 VAL A 96 7.072 -13.625 -9.133 1.00 0.00 H new ATOM 0 HG12 VAL A 96 7.801 -13.005 -7.633 1.00 0.00 H new ATOM 0 HG13 VAL A 96 7.793 -14.754 -7.962 1.00 0.00 H new ATOM 0 HG21 VAL A 96 4.924 -14.820 -9.080 1.00 0.00 H new ATOM 0 HG22 VAL A 96 5.540 -16.004 -7.902 1.00 0.00 H new ATOM 0 HG23 VAL A 96 4.064 -15.076 -7.543 1.00 0.00 H new ATOM 1503 N ASP A 97 7.894 -13.391 -4.474 1.00 0.00 N ATOM 1504 CA ASP A 97 8.687 -12.380 -3.772 1.00 0.00 C ATOM 1505 C ASP A 97 9.643 -11.666 -4.729 1.00 0.00 C ATOM 1506 O ASP A 97 10.603 -12.259 -5.227 1.00 0.00 O ATOM 1507 CB ASP A 97 9.471 -13.033 -2.623 1.00 0.00 C ATOM 1508 CG ASP A 97 10.140 -12.031 -1.690 1.00 0.00 C ATOM 1509 OD1 ASP A 97 9.916 -10.809 -1.845 1.00 0.00 O ATOM 1510 OD2 ASP A 97 10.884 -12.473 -0.788 1.00 0.00 O ATOM 0 H ASP A 97 8.241 -14.344 -4.367 1.00 0.00 H new ATOM 0 HA ASP A 97 8.005 -11.635 -3.362 1.00 0.00 H new ATOM 0 HB2 ASP A 97 8.794 -13.660 -2.043 1.00 0.00 H new ATOM 0 HB3 ASP A 97 10.233 -13.690 -3.042 1.00 0.00 H new ATOM 1515 N VAL A 98 9.364 -10.382 -4.972 1.00 0.00 N ATOM 1516 CA VAL A 98 10.184 -9.554 -5.858 1.00 0.00 C ATOM 1517 C VAL A 98 10.690 -8.322 -5.104 1.00 0.00 C ATOM 1518 O VAL A 98 9.919 -7.647 -4.420 1.00 0.00 O ATOM 1519 CB VAL A 98 9.392 -9.098 -7.116 1.00 0.00 C ATOM 1520 CG1 VAL A 98 10.297 -8.363 -8.099 1.00 0.00 C ATOM 1521 CG2 VAL A 98 8.719 -10.282 -7.799 1.00 0.00 C ATOM 0 H VAL A 98 8.569 -9.891 -4.563 1.00 0.00 H new ATOM 0 HA VAL A 98 11.027 -10.162 -6.187 1.00 0.00 H new ATOM 0 HB VAL A 98 8.617 -8.408 -6.783 1.00 0.00 H new ATOM 0 HG11 VAL A 98 9.716 -8.056 -8.969 1.00 0.00 H new ATOM 0 HG12 VAL A 98 10.720 -7.482 -7.616 1.00 0.00 H new ATOM 0 HG13 VAL A 98 11.103 -9.025 -8.416 1.00 0.00 H new ATOM 0 HG21 VAL A 98 8.172 -9.934 -8.675 1.00 0.00 H new ATOM 0 HG22 VAL A 98 9.476 -11.003 -8.106 1.00 0.00 H new ATOM 0 HG23 VAL A 98 8.026 -10.757 -7.104 1.00 0.00 H new ATOM 1531 N LYS A 99 11.986 -8.037 -5.241 1.00 0.00 N ATOM 1532 CA LYS A 99 12.603 -6.884 -4.579 1.00 0.00 C ATOM 1533 C LYS A 99 12.295 -5.601 -5.357 1.00 0.00 C ATOM 1534 O LYS A 99 12.003 -5.654 -6.555 1.00 0.00 O ATOM 1535 CB LYS A 99 14.131 -7.057 -4.482 1.00 0.00 C ATOM 1536 CG LYS A 99 14.600 -8.240 -3.638 1.00 0.00 C ATOM 1537 CD LYS A 99 14.625 -9.546 -4.426 1.00 0.00 C ATOM 1538 CE LYS A 99 15.152 -10.699 -3.584 1.00 0.00 C ATOM 1539 NZ LYS A 99 16.559 -10.478 -3.149 1.00 0.00 N ATOM 0 H LYS A 99 12.631 -8.590 -5.806 1.00 0.00 H new ATOM 0 HA LYS A 99 12.188 -6.815 -3.573 1.00 0.00 H new ATOM 0 HB2 LYS A 99 14.532 -7.168 -5.489 1.00 0.00 H new ATOM 0 HB3 LYS A 99 14.558 -6.144 -4.068 1.00 0.00 H new ATOM 0 HG2 LYS A 99 15.598 -8.033 -3.251 1.00 0.00 H new ATOM 0 HG3 LYS A 99 13.941 -8.352 -2.777 1.00 0.00 H new ATOM 0 HD2 LYS A 99 13.619 -9.780 -4.775 1.00 0.00 H new ATOM 0 HD3 LYS A 99 15.250 -9.426 -5.311 1.00 0.00 H new ATOM 0 HE2 LYS A 99 14.518 -10.826 -2.707 1.00 0.00 H new ATOM 0 HE3 LYS A 99 15.091 -11.624 -4.158 1.00 0.00 H new ATOM 0 HZ1 LYS A 99 16.961 -11.373 -2.805 1.00 0.00 H new ATOM 0 HZ2 LYS A 99 17.121 -10.133 -3.953 1.00 0.00 H new ATOM 0 HZ3 LYS A 99 16.579 -9.773 -2.385 1.00 0.00 H new ATOM 1553 N THR A 100 12.376 -4.451 -4.679 1.00 0.00 N ATOM 1554 CA THR A 100 12.119 -3.158 -5.322 1.00 0.00 C ATOM 1555 C THR A 100 13.420 -2.562 -5.855 1.00 0.00 C ATOM 1556 O THR A 100 14.504 -2.886 -5.361 1.00 0.00 O ATOM 1557 CB THR A 100 11.454 -2.182 -4.344 1.00 0.00 C ATOM 1558 OG1 THR A 100 12.275 -1.971 -3.208 1.00 0.00 O ATOM 1559 CG2 THR A 100 10.098 -2.646 -3.851 1.00 0.00 C ATOM 0 H THR A 100 12.616 -4.389 -3.690 1.00 0.00 H new ATOM 0 HA THR A 100 11.438 -3.325 -6.156 1.00 0.00 H new ATOM 0 HB THR A 100 11.317 -1.261 -4.911 1.00 0.00 H new ATOM 0 HG1 THR A 100 12.246 -2.763 -2.632 1.00 0.00 H new ATOM 0 HG21 THR A 100 9.688 -1.906 -3.164 1.00 0.00 H new ATOM 0 HG22 THR A 100 9.424 -2.766 -4.699 1.00 0.00 H new ATOM 0 HG23 THR A 100 10.205 -3.600 -3.335 1.00 0.00 H new ATOM 1567 N ASP A 101 13.308 -1.697 -6.868 1.00 0.00 N ATOM 1568 CA ASP A 101 14.480 -1.063 -7.474 1.00 0.00 C ATOM 1569 C ASP A 101 14.598 0.411 -7.074 1.00 0.00 C ATOM 1570 O ASP A 101 13.823 0.905 -6.250 1.00 0.00 O ATOM 1571 CB ASP A 101 14.445 -1.209 -9.005 1.00 0.00 C ATOM 1572 CG ASP A 101 13.171 -0.671 -9.632 1.00 0.00 C ATOM 1573 OD1 ASP A 101 12.102 -1.284 -9.430 1.00 0.00 O ATOM 1574 OD2 ASP A 101 13.243 0.363 -10.327 1.00 0.00 O ATOM 0 H ASP A 101 12.419 -1.421 -7.284 1.00 0.00 H new ATOM 0 HA ASP A 101 15.363 -1.577 -7.095 1.00 0.00 H new ATOM 0 HB2 ASP A 101 15.301 -0.686 -9.432 1.00 0.00 H new ATOM 0 HB3 ASP A 101 14.553 -2.262 -9.265 1.00 0.00 H new ATOM 1579 N LYS A 102 15.589 1.097 -7.658 1.00 0.00 N ATOM 1580 CA LYS A 102 15.858 2.506 -7.381 1.00 0.00 C ATOM 1581 C LYS A 102 14.755 3.420 -7.921 1.00 0.00 C ATOM 1582 O LYS A 102 14.449 4.456 -7.321 1.00 0.00 O ATOM 1583 CB LYS A 102 17.198 2.890 -8.012 1.00 0.00 C ATOM 1584 CG LYS A 102 17.634 4.315 -7.736 1.00 0.00 C ATOM 1585 CD LYS A 102 18.775 4.731 -8.645 1.00 0.00 C ATOM 1586 CE LYS A 102 18.485 6.064 -9.309 1.00 0.00 C ATOM 1587 NZ LYS A 102 19.600 6.499 -10.196 1.00 0.00 N ATOM 0 H LYS A 102 16.227 0.684 -8.338 1.00 0.00 H new ATOM 0 HA LYS A 102 15.891 2.638 -6.300 1.00 0.00 H new ATOM 0 HB2 LYS A 102 17.967 2.210 -7.645 1.00 0.00 H new ATOM 0 HB3 LYS A 102 17.133 2.745 -9.090 1.00 0.00 H new ATOM 0 HG2 LYS A 102 16.789 4.989 -7.878 1.00 0.00 H new ATOM 0 HG3 LYS A 102 17.944 4.407 -6.695 1.00 0.00 H new ATOM 0 HD2 LYS A 102 19.697 4.801 -8.068 1.00 0.00 H new ATOM 0 HD3 LYS A 102 18.934 3.968 -9.407 1.00 0.00 H new ATOM 0 HE2 LYS A 102 17.567 5.987 -9.892 1.00 0.00 H new ATOM 0 HE3 LYS A 102 18.314 6.821 -8.544 1.00 0.00 H new ATOM 0 HZ1 LYS A 102 19.362 7.414 -10.630 1.00 0.00 H new ATOM 0 HZ2 LYS A 102 20.471 6.598 -9.636 1.00 0.00 H new ATOM 0 HZ3 LYS A 102 19.747 5.790 -10.942 1.00 0.00 H new ATOM 1601 N TRP A 103 14.186 3.048 -9.067 1.00 0.00 N ATOM 1602 CA TRP A 103 13.146 3.851 -9.713 1.00 0.00 C ATOM 1603 C TRP A 103 11.742 3.494 -9.203 1.00 0.00 C ATOM 1604 O TRP A 103 10.797 3.352 -9.986 1.00 0.00 O ATOM 1605 CB TRP A 103 13.235 3.693 -11.242 1.00 0.00 C ATOM 1606 CG TRP A 103 14.612 3.964 -11.790 1.00 0.00 C ATOM 1607 CD1 TRP A 103 15.638 3.069 -11.903 1.00 0.00 C ATOM 1608 CD2 TRP A 103 15.120 5.216 -12.273 1.00 0.00 C ATOM 1609 NE1 TRP A 103 16.748 3.683 -12.428 1.00 0.00 N ATOM 1610 CE2 TRP A 103 16.456 5.000 -12.664 1.00 0.00 C ATOM 1611 CE3 TRP A 103 14.577 6.499 -12.417 1.00 0.00 C ATOM 1612 CZ2 TRP A 103 17.254 6.014 -13.185 1.00 0.00 C ATOM 1613 CZ3 TRP A 103 15.371 7.504 -12.935 1.00 0.00 C ATOM 1614 CH2 TRP A 103 16.697 7.258 -13.314 1.00 0.00 C ATOM 0 H TRP A 103 14.428 2.194 -9.569 1.00 0.00 H new ATOM 0 HA TRP A 103 13.319 4.895 -9.453 1.00 0.00 H new ATOM 0 HB2 TRP A 103 12.936 2.681 -11.514 1.00 0.00 H new ATOM 0 HB3 TRP A 103 12.524 4.372 -11.712 1.00 0.00 H new ATOM 0 HD1 TRP A 103 15.584 2.028 -11.620 1.00 0.00 H new ATOM 0 HE1 TRP A 103 17.644 3.232 -12.612 1.00 0.00 H new ATOM 0 HE3 TRP A 103 13.556 6.699 -12.128 1.00 0.00 H new ATOM 0 HZ2 TRP A 103 18.277 5.826 -13.477 1.00 0.00 H new ATOM 0 HZ3 TRP A 103 14.962 8.497 -13.050 1.00 0.00 H new ATOM 0 HH2 TRP A 103 17.291 8.065 -13.716 1.00 0.00 H new ATOM 1625 N ASP A 104 11.618 3.377 -7.878 1.00 0.00 N ATOM 1626 CA ASP A 104 10.343 3.063 -7.232 1.00 0.00 C ATOM 1627 C ASP A 104 9.998 4.122 -6.185 1.00 0.00 C ATOM 1628 O ASP A 104 8.822 4.386 -5.923 1.00 0.00 O ATOM 1629 CB ASP A 104 10.394 1.673 -6.581 1.00 0.00 C ATOM 1630 CG ASP A 104 10.271 0.533 -7.582 1.00 0.00 C ATOM 1631 OD1 ASP A 104 10.112 0.802 -8.792 1.00 0.00 O ATOM 1632 OD2 ASP A 104 10.326 -0.638 -7.148 1.00 0.00 O ATOM 0 H ASP A 104 12.394 3.497 -7.227 1.00 0.00 H new ATOM 0 HA ASP A 104 9.566 3.060 -7.996 1.00 0.00 H new ATOM 0 HB2 ASP A 104 11.332 1.569 -6.036 1.00 0.00 H new ATOM 0 HB3 ASP A 104 9.590 1.593 -5.849 1.00 0.00 H new ATOM 1637 N PHE A 105 11.037 4.722 -5.594 1.00 0.00 N ATOM 1638 CA PHE A 105 10.864 5.758 -4.571 1.00 0.00 C ATOM 1639 C PHE A 105 11.560 7.055 -5.005 1.00 0.00 C ATOM 1640 O PHE A 105 12.166 7.760 -4.188 1.00 0.00 O ATOM 1641 CB PHE A 105 11.424 5.284 -3.212 1.00 0.00 C ATOM 1642 CG PHE A 105 10.773 4.041 -2.650 1.00 0.00 C ATOM 1643 CD1 PHE A 105 11.169 2.777 -3.067 1.00 0.00 C ATOM 1644 CD2 PHE A 105 9.769 4.140 -1.699 1.00 0.00 C ATOM 1645 CE1 PHE A 105 10.576 1.642 -2.549 1.00 0.00 C ATOM 1646 CE2 PHE A 105 9.173 3.006 -1.178 1.00 0.00 C ATOM 1647 CZ PHE A 105 9.577 1.757 -1.603 1.00 0.00 C ATOM 0 H PHE A 105 12.011 4.506 -5.808 1.00 0.00 H new ATOM 0 HA PHE A 105 9.797 5.950 -4.456 1.00 0.00 H new ATOM 0 HB2 PHE A 105 12.492 5.098 -3.321 1.00 0.00 H new ATOM 0 HB3 PHE A 105 11.313 6.092 -2.489 1.00 0.00 H new ATOM 0 HD1 PHE A 105 11.951 2.680 -3.806 1.00 0.00 H new ATOM 0 HD2 PHE A 105 9.448 5.114 -1.361 1.00 0.00 H new ATOM 0 HE1 PHE A 105 10.894 0.666 -2.884 1.00 0.00 H new ATOM 0 HE2 PHE A 105 8.391 3.098 -0.438 1.00 0.00 H new ATOM 0 HZ PHE A 105 9.113 0.871 -1.196 1.00 0.00 H new ATOM 1657 N TYR A 106 11.475 7.355 -6.304 1.00 0.00 N ATOM 1658 CA TYR A 106 12.099 8.550 -6.878 1.00 0.00 C ATOM 1659 C TYR A 106 11.140 9.210 -7.876 1.00 0.00 C ATOM 1660 O TYR A 106 10.673 8.557 -8.814 1.00 0.00 O ATOM 1661 CB TYR A 106 13.421 8.139 -7.555 1.00 0.00 C ATOM 1662 CG TYR A 106 14.380 9.269 -7.904 1.00 0.00 C ATOM 1663 CD1 TYR A 106 14.649 10.312 -7.015 1.00 0.00 C ATOM 1664 CD2 TYR A 106 15.040 9.271 -9.128 1.00 0.00 C ATOM 1665 CE1 TYR A 106 15.537 11.316 -7.344 1.00 0.00 C ATOM 1666 CE2 TYR A 106 15.933 10.271 -9.459 1.00 0.00 C ATOM 1667 CZ TYR A 106 16.178 11.292 -8.565 1.00 0.00 C ATOM 1668 OH TYR A 106 17.067 12.290 -8.893 1.00 0.00 O ATOM 0 H TYR A 106 10.975 6.781 -6.983 1.00 0.00 H new ATOM 0 HA TYR A 106 12.315 9.279 -6.097 1.00 0.00 H new ATOM 0 HB2 TYR A 106 13.939 7.441 -6.898 1.00 0.00 H new ATOM 0 HB3 TYR A 106 13.183 7.598 -8.470 1.00 0.00 H new ATOM 0 HD1 TYR A 106 14.154 10.333 -6.055 1.00 0.00 H new ATOM 0 HD2 TYR A 106 14.851 8.475 -9.833 1.00 0.00 H new ATOM 0 HE1 TYR A 106 15.729 12.118 -6.647 1.00 0.00 H new ATOM 0 HE2 TYR A 106 16.437 10.254 -10.414 1.00 0.00 H new ATOM 0 HH TYR A 106 17.431 12.123 -9.787 1.00 0.00 H new ATOM 1678 N CYS A 107 10.824 10.495 -7.653 1.00 0.00 N ATOM 1679 CA CYS A 107 9.887 11.216 -8.527 1.00 0.00 C ATOM 1680 C CYS A 107 10.500 12.464 -9.159 1.00 0.00 C ATOM 1681 O CYS A 107 9.794 13.440 -9.437 1.00 0.00 O ATOM 1682 CB CYS A 107 8.646 11.632 -7.743 1.00 0.00 C ATOM 1683 SG CYS A 107 7.799 10.285 -6.868 1.00 0.00 S ATOM 0 H CYS A 107 11.199 11.051 -6.884 1.00 0.00 H new ATOM 0 HA CYS A 107 9.627 10.524 -9.328 1.00 0.00 H new ATOM 0 HB2 CYS A 107 8.932 12.393 -7.017 1.00 0.00 H new ATOM 0 HB3 CYS A 107 7.940 12.098 -8.431 1.00 0.00 H new ATOM 1688 N GLN A 108 11.796 12.429 -9.398 1.00 0.00 N ATOM 1689 CA GLN A 108 12.479 13.561 -10.011 1.00 0.00 C ATOM 1690 C GLN A 108 12.892 13.240 -11.443 1.00 0.00 C ATOM 1691 O GLN A 108 13.296 12.085 -11.697 1.00 0.00 O ATOM 1692 CB GLN A 108 13.701 13.973 -9.196 1.00 0.00 C ATOM 1693 CG GLN A 108 13.356 14.618 -7.862 1.00 0.00 C ATOM 1694 CD GLN A 108 14.567 15.209 -7.161 1.00 0.00 C ATOM 1695 OE1 GLN A 108 15.518 14.501 -6.826 1.00 0.00 O ATOM 1696 NE2 GLN A 108 14.538 16.517 -6.934 1.00 0.00 N ATOM 1697 OXT GLN A 108 12.803 14.144 -12.300 1.00 0.00 O ATOM 0 H GLN A 108 12.398 11.635 -9.180 1.00 0.00 H new ATOM 0 HA GLN A 108 11.778 14.395 -10.029 1.00 0.00 H new ATOM 0 HB2 GLN A 108 14.320 13.094 -9.016 1.00 0.00 H new ATOM 0 HB3 GLN A 108 14.300 14.670 -9.782 1.00 0.00 H new ATOM 0 HG2 GLN A 108 12.617 15.403 -8.024 1.00 0.00 H new ATOM 0 HG3 GLN A 108 12.894 13.874 -7.213 1.00 0.00 H new ATOM 0 HE21 GLN A 108 13.731 17.068 -7.227 1.00 0.00 H new ATOM 0 HE22 GLN A 108 15.323 16.971 -6.466 1.00 0.00 H new TER 1706 GLN A 108