USER MOD reduce.3.24.130724 H: found=0, std=0, add=448, rem=0, adj=18 USER MOD reduce.3.24.130724 removed 446 hydrogens (0 hets) USER MOD ----------------------------------------------------------------- USER MOD scores for adjustable sidechains, with "set" totals for H,N and Q USER MOD "o" means original, "f" means flipped, "180deg" is methyl default USER MOD "!" flags a clash with an overlap of 0.40A or greater USER MOD flip categories: "K"=keep, "C"=clashes, "X"=uncertain, "F"=flip USER MOD NoAdj-H: A 28 HIS HD1 : A 28 HIS ND1 : A 102 ZNZN :(H bumps) USER MOD Set 1.1: A 41 ASN : amide:sc= -0.0195 K(o=-0.019,f=-1.6) USER MOD Set 1.2: A 42 ASN : amide:sc= 0 X(o=-0.019,f=-0.019) USER MOD Set 2.1: A 3 MET CE :methyl 145:sc= -0.0701 (180deg=-0.478) USER MOD Set 2.2: A 5 THR OG1 : rot 39:sc= 0.228 USER MOD Single : A 1 SER N :NH3+ 154:sc= 0.0124 (180deg=0) USER MOD Single : A 1 SER OG : rot 180:sc= 0.011 USER MOD Single : A 2 HIS : no HD1:sc= 0 X(o=0,f=-0.011) USER MOD Single : A 6 SER OG : rot 180:sc= 0 USER MOD Single : A 15 TYR OH : rot 180:sc= 0 USER MOD Single : A 17 HIS : no HD1:sc=-0.00508 X(o=-0.0051,f=-0.0023) USER MOD Single : A 20 SER OG : rot 4:sc= 1.02 USER MOD Single : A 24 GLN : amide:sc= -0.496 K(o=-0.5,f=-3.9!) USER MOD Single : A 29 LYS NZ :NH3+ -172:sc= 1.35 (180deg=1.31) USER MOD Single : A 30 SER OG : rot 36:sc= 1.42 USER MOD Single : A 32 LYS NZ :NH3+ -162:sc= 0.048 (180deg=-0.176) USER MOD Single : A 36 ASN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 37 GLN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 38 HIS : no HE2:sc= -0.528 K(o=-0.53,f=-3.9!) USER MOD Single : A 40 MET CE :methyl 139:sc= -0.112 (180deg=-0.618) USER MOD Single : A 43 LYS NZ :NH3+ 171:sc= 0.461 (180deg=0.422) USER MOD Single : A 49 LYS NZ :NH3+ -169:sc= -0.0112 (180deg=-0.127) USER MOD Single : A 50 THR OG1 : rot 107:sc= 1.3 USER MOD Single : A 51 THR OG1 : rot -32:sc= 0.227 USER MOD Single : A 54 SER OG : rot 180:sc= 0 USER MOD Single : A 60 LYS NZ :NH3+ 177:sc= 0 (180deg=-0.0129) USER MOD ----------------------------------------------------------------- ATOM 1 N SER A 1 10.901 2.962 0.257 1.00 0.00 N ATOM 2 CA SER A 1 11.468 1.644 -0.071 1.00 0.00 C ATOM 3 C SER A 1 11.857 1.586 -1.562 1.00 0.00 C ATOM 4 O SER A 1 10.981 1.492 -2.437 1.00 0.00 O ATOM 5 CB SER A 1 10.455 0.530 0.290 1.00 0.00 C ATOM 6 OG SER A 1 10.054 0.617 1.655 1.00 0.00 O ATOM 0 H1 SER A 1 10.263 2.872 1.073 1.00 0.00 H new ATOM 0 H2 SER A 1 11.670 3.622 0.490 1.00 0.00 H new ATOM 0 H3 SER A 1 10.369 3.324 -0.560 1.00 0.00 H new ATOM 0 HA SER A 1 12.373 1.485 0.516 1.00 0.00 H new ATOM 0 HB2 SER A 1 9.579 0.609 -0.354 1.00 0.00 H new ATOM 0 HB3 SER A 1 10.902 -0.446 0.102 1.00 0.00 H new ATOM 0 HG SER A 1 9.413 -0.097 1.854 1.00 0.00 H new ATOM 14 N HIS A 2 13.174 1.684 -1.849 1.00 0.00 N ATOM 15 CA HIS A 2 13.714 1.424 -3.199 1.00 0.00 C ATOM 16 C HIS A 2 13.616 -0.090 -3.467 1.00 0.00 C ATOM 17 O HIS A 2 14.529 -0.854 -3.128 1.00 0.00 O ATOM 18 CB HIS A 2 15.183 1.917 -3.327 1.00 0.00 C ATOM 19 CG HIS A 2 15.365 3.418 -3.208 1.00 0.00 C ATOM 20 ND1 HIS A 2 15.589 4.205 -4.313 1.00 0.00 N ATOM 21 CD2 HIS A 2 15.382 4.209 -2.104 1.00 0.00 C ATOM 22 CE1 HIS A 2 15.736 5.438 -3.863 1.00 0.00 C ATOM 23 NE2 HIS A 2 15.616 5.492 -2.534 1.00 0.00 N ATOM 0 H HIS A 2 13.882 1.942 -1.162 1.00 0.00 H new ATOM 0 HA HIS A 2 13.134 1.975 -3.939 1.00 0.00 H new ATOM 0 HB2 HIS A 2 15.783 1.431 -2.557 1.00 0.00 H new ATOM 0 HB3 HIS A 2 15.577 1.593 -4.290 1.00 0.00 H new ATOM 0 HD2 HIS A 2 15.239 3.890 -1.082 1.00 0.00 H new ATOM 0 HE1 HIS A 2 15.929 6.295 -4.491 1.00 0.00 H new ATOM 0 HE2 HIS A 2 15.685 6.326 -1.951 1.00 0.00 H new ATOM 31 N MET A 3 12.455 -0.509 -3.997 1.00 0.00 N ATOM 32 CA MET A 3 12.104 -1.925 -4.155 1.00 0.00 C ATOM 33 C MET A 3 12.905 -2.543 -5.328 1.00 0.00 C ATOM 34 O MET A 3 12.694 -2.158 -6.486 1.00 0.00 O ATOM 35 CB MET A 3 10.577 -2.053 -4.383 1.00 0.00 C ATOM 36 CG MET A 3 10.041 -3.492 -4.382 1.00 0.00 C ATOM 37 SD MET A 3 8.260 -3.568 -4.698 1.00 0.00 S ATOM 38 CE MET A 3 8.153 -2.933 -6.372 1.00 0.00 C ATOM 0 H MET A 3 11.732 0.130 -4.328 1.00 0.00 H new ATOM 0 HA MET A 3 12.364 -2.474 -3.250 1.00 0.00 H new ATOM 0 HB2 MET A 3 10.060 -1.488 -3.607 1.00 0.00 H new ATOM 0 HB3 MET A 3 10.327 -1.588 -5.337 1.00 0.00 H new ATOM 0 HG2 MET A 3 10.566 -4.073 -5.140 1.00 0.00 H new ATOM 0 HG3 MET A 3 10.256 -3.956 -3.419 1.00 0.00 H new ATOM 0 HE1 MET A 3 7.356 -3.450 -6.907 1.00 0.00 H new ATOM 0 HE2 MET A 3 7.937 -1.865 -6.343 1.00 0.00 H new ATOM 0 HE3 MET A 3 9.101 -3.097 -6.885 1.00 0.00 H new ATOM 48 N PRO A 4 13.838 -3.509 -5.046 1.00 0.00 N ATOM 49 CA PRO A 4 14.764 -4.054 -6.067 1.00 0.00 C ATOM 50 C PRO A 4 14.098 -5.007 -7.087 1.00 0.00 C ATOM 51 O PRO A 4 14.750 -5.400 -8.064 1.00 0.00 O ATOM 52 CB PRO A 4 15.826 -4.782 -5.201 1.00 0.00 C ATOM 53 CG PRO A 4 15.071 -5.233 -3.989 1.00 0.00 C ATOM 54 CD PRO A 4 14.069 -4.135 -3.708 1.00 0.00 C ATOM 0 HA PRO A 4 15.169 -3.271 -6.708 1.00 0.00 H new ATOM 0 HB2 PRO A 4 16.263 -5.626 -5.734 1.00 0.00 H new ATOM 0 HB3 PRO A 4 16.646 -4.115 -4.933 1.00 0.00 H new ATOM 0 HG2 PRO A 4 14.571 -6.185 -4.169 1.00 0.00 H new ATOM 0 HG3 PRO A 4 15.740 -5.380 -3.141 1.00 0.00 H new ATOM 0 HD2 PRO A 4 13.145 -4.534 -3.289 1.00 0.00 H new ATOM 0 HD3 PRO A 4 14.458 -3.413 -2.991 1.00 0.00 H new ATOM 62 N THR A 5 12.811 -5.369 -6.866 1.00 0.00 N ATOM 63 CA THR A 5 12.077 -6.289 -7.753 1.00 0.00 C ATOM 64 C THR A 5 11.822 -5.630 -9.130 1.00 0.00 C ATOM 65 O THR A 5 10.900 -4.824 -9.290 1.00 0.00 O ATOM 66 CB THR A 5 10.725 -6.766 -7.115 1.00 0.00 C ATOM 67 OG1 THR A 5 9.895 -5.636 -6.814 1.00 0.00 O ATOM 68 CG2 THR A 5 10.940 -7.592 -5.831 1.00 0.00 C ATOM 0 H THR A 5 12.262 -5.033 -6.075 1.00 0.00 H new ATOM 0 HA THR A 5 12.702 -7.171 -7.893 1.00 0.00 H new ATOM 0 HB THR A 5 10.238 -7.408 -7.849 1.00 0.00 H new ATOM 0 HG1 THR A 5 9.979 -4.969 -7.527 1.00 0.00 H new ATOM 0 HG21 THR A 5 9.974 -7.898 -5.429 1.00 0.00 H new ATOM 0 HG22 THR A 5 11.533 -8.477 -6.063 1.00 0.00 H new ATOM 0 HG23 THR A 5 11.465 -6.986 -5.092 1.00 0.00 H new ATOM 76 N SER A 6 12.678 -5.967 -10.111 1.00 0.00 N ATOM 77 CA SER A 6 12.576 -5.466 -11.494 1.00 0.00 C ATOM 78 C SER A 6 11.430 -6.164 -12.269 1.00 0.00 C ATOM 79 O SER A 6 11.153 -5.832 -13.427 1.00 0.00 O ATOM 80 CB SER A 6 13.927 -5.672 -12.203 1.00 0.00 C ATOM 81 OG SER A 6 14.985 -5.053 -11.479 1.00 0.00 O ATOM 0 H SER A 6 13.465 -6.599 -9.966 1.00 0.00 H new ATOM 0 HA SER A 6 12.338 -4.403 -11.468 1.00 0.00 H new ATOM 0 HB2 SER A 6 14.128 -6.738 -12.306 1.00 0.00 H new ATOM 0 HB3 SER A 6 13.880 -5.257 -13.210 1.00 0.00 H new ATOM 0 HG SER A 6 15.832 -5.200 -11.949 1.00 0.00 H new ATOM 87 N GLU A 7 10.792 -7.153 -11.621 1.00 0.00 N ATOM 88 CA GLU A 7 9.573 -7.787 -12.125 1.00 0.00 C ATOM 89 C GLU A 7 8.355 -6.895 -11.809 1.00 0.00 C ATOM 90 O GLU A 7 8.124 -6.532 -10.651 1.00 0.00 O ATOM 91 CB GLU A 7 9.420 -9.218 -11.537 1.00 0.00 C ATOM 92 CG GLU A 7 9.490 -9.318 -9.996 1.00 0.00 C ATOM 93 CD GLU A 7 9.422 -10.769 -9.504 1.00 0.00 C ATOM 94 OE1 GLU A 7 10.488 -11.426 -9.418 1.00 0.00 O ATOM 95 OE2 GLU A 7 8.309 -11.268 -9.228 1.00 0.00 O ATOM 0 H GLU A 7 11.112 -7.533 -10.730 1.00 0.00 H new ATOM 0 HA GLU A 7 9.637 -7.893 -13.208 1.00 0.00 H new ATOM 0 HB2 GLU A 7 8.465 -9.627 -11.867 1.00 0.00 H new ATOM 0 HB3 GLU A 7 10.200 -9.851 -11.960 1.00 0.00 H new ATOM 0 HG2 GLU A 7 10.416 -8.861 -9.646 1.00 0.00 H new ATOM 0 HG3 GLU A 7 8.669 -8.750 -9.559 1.00 0.00 H new ATOM 102 N GLU A 8 7.599 -6.525 -12.861 1.00 0.00 N ATOM 103 CA GLU A 8 6.461 -5.580 -12.773 1.00 0.00 C ATOM 104 C GLU A 8 5.154 -6.230 -13.280 1.00 0.00 C ATOM 105 O GLU A 8 4.132 -5.549 -13.400 1.00 0.00 O ATOM 106 CB GLU A 8 6.790 -4.288 -13.585 1.00 0.00 C ATOM 107 CG GLU A 8 8.027 -3.509 -13.086 1.00 0.00 C ATOM 108 CD GLU A 8 7.820 -2.861 -11.705 1.00 0.00 C ATOM 109 OE1 GLU A 8 7.151 -1.806 -11.634 1.00 0.00 O ATOM 110 OE2 GLU A 8 8.323 -3.388 -10.687 1.00 0.00 O ATOM 0 H GLU A 8 7.760 -6.875 -13.805 1.00 0.00 H new ATOM 0 HA GLU A 8 6.308 -5.314 -11.727 1.00 0.00 H new ATOM 0 HB2 GLU A 8 6.946 -4.561 -14.629 1.00 0.00 H new ATOM 0 HB3 GLU A 8 5.924 -3.626 -13.555 1.00 0.00 H new ATOM 0 HG2 GLU A 8 8.880 -4.186 -13.038 1.00 0.00 H new ATOM 0 HG3 GLU A 8 8.276 -2.733 -13.810 1.00 0.00 H new ATOM 117 N ASP A 9 5.176 -7.560 -13.545 1.00 0.00 N ATOM 118 CA ASP A 9 3.959 -8.342 -13.913 1.00 0.00 C ATOM 119 C ASP A 9 3.201 -8.797 -12.653 1.00 0.00 C ATOM 120 O ASP A 9 2.459 -9.771 -12.694 1.00 0.00 O ATOM 121 CB ASP A 9 4.337 -9.596 -14.774 1.00 0.00 C ATOM 122 CG ASP A 9 4.711 -9.256 -16.221 1.00 0.00 C ATOM 123 OD1 ASP A 9 3.804 -9.110 -17.055 1.00 0.00 O ATOM 124 OD2 ASP A 9 5.909 -9.129 -16.534 1.00 0.00 O ATOM 0 H ASP A 9 6.027 -8.121 -13.511 1.00 0.00 H new ATOM 0 HA ASP A 9 3.315 -7.689 -14.502 1.00 0.00 H new ATOM 0 HB2 ASP A 9 5.174 -10.111 -14.303 1.00 0.00 H new ATOM 0 HB3 ASP A 9 3.497 -10.290 -14.778 1.00 0.00 H new ATOM 129 N LEU A 10 3.354 -8.047 -11.554 1.00 0.00 N ATOM 130 CA LEU A 10 2.930 -8.479 -10.219 1.00 0.00 C ATOM 131 C LEU A 10 1.395 -8.479 -10.075 1.00 0.00 C ATOM 132 O LEU A 10 0.719 -7.577 -10.579 1.00 0.00 O ATOM 133 CB LEU A 10 3.598 -7.571 -9.152 1.00 0.00 C ATOM 134 CG LEU A 10 5.159 -7.453 -9.245 1.00 0.00 C ATOM 135 CD1 LEU A 10 5.740 -6.673 -8.045 1.00 0.00 C ATOM 136 CD2 LEU A 10 5.831 -8.842 -9.388 1.00 0.00 C ATOM 0 H LEU A 10 3.778 -7.119 -11.568 1.00 0.00 H new ATOM 0 HA LEU A 10 3.253 -9.509 -10.067 1.00 0.00 H new ATOM 0 HB2 LEU A 10 3.170 -6.572 -9.232 1.00 0.00 H new ATOM 0 HB3 LEU A 10 3.338 -7.950 -8.164 1.00 0.00 H new ATOM 0 HG LEU A 10 5.384 -6.886 -10.148 1.00 0.00 H new ATOM 0 HD11 LEU A 10 6.824 -6.610 -8.142 1.00 0.00 H new ATOM 0 HD12 LEU A 10 5.319 -5.668 -8.026 1.00 0.00 H new ATOM 0 HD13 LEU A 10 5.488 -7.190 -7.119 1.00 0.00 H new ATOM 0 HD21 LEU A 10 6.912 -8.718 -9.449 1.00 0.00 H new ATOM 0 HD22 LEU A 10 5.585 -9.456 -8.522 1.00 0.00 H new ATOM 0 HD23 LEU A 10 5.470 -9.330 -10.293 1.00 0.00 H new ATOM 148 N CYS A 11 0.864 -9.527 -9.404 1.00 0.00 N ATOM 149 CA CYS A 11 -0.558 -9.602 -9.010 1.00 0.00 C ATOM 150 C CYS A 11 -0.887 -8.386 -8.108 1.00 0.00 C ATOM 151 O CYS A 11 -0.319 -8.305 -7.031 1.00 0.00 O ATOM 152 CB CYS A 11 -0.828 -10.924 -8.239 1.00 0.00 C ATOM 153 SG CYS A 11 -2.530 -11.083 -7.582 1.00 0.00 S ATOM 0 H CYS A 11 1.409 -10.341 -9.122 1.00 0.00 H new ATOM 0 HA CYS A 11 -1.189 -9.585 -9.899 1.00 0.00 H new ATOM 0 HB2 CYS A 11 -0.628 -11.765 -8.903 1.00 0.00 H new ATOM 0 HB3 CYS A 11 -0.123 -10.997 -7.411 1.00 0.00 H new ATOM 158 N PRO A 12 -1.791 -7.438 -8.524 1.00 0.00 N ATOM 159 CA PRO A 12 -2.029 -6.148 -7.785 1.00 0.00 C ATOM 160 C PRO A 12 -2.345 -6.332 -6.274 1.00 0.00 C ATOM 161 O PRO A 12 -1.996 -5.488 -5.444 1.00 0.00 O ATOM 162 CB PRO A 12 -3.222 -5.519 -8.553 1.00 0.00 C ATOM 163 CG PRO A 12 -3.122 -6.100 -9.937 1.00 0.00 C ATOM 164 CD PRO A 12 -2.637 -7.522 -9.749 1.00 0.00 C ATOM 0 HA PRO A 12 -1.136 -5.523 -7.770 1.00 0.00 H new ATOM 0 HB2 PRO A 12 -4.173 -5.770 -8.084 1.00 0.00 H new ATOM 0 HB3 PRO A 12 -3.153 -4.431 -8.572 1.00 0.00 H new ATOM 0 HG2 PRO A 12 -4.088 -6.079 -10.441 1.00 0.00 H new ATOM 0 HG3 PRO A 12 -2.428 -5.528 -10.553 1.00 0.00 H new ATOM 0 HD2 PRO A 12 -3.467 -8.216 -9.617 1.00 0.00 H new ATOM 0 HD3 PRO A 12 -2.065 -7.869 -10.610 1.00 0.00 H new ATOM 172 N ILE A 13 -2.969 -7.475 -5.946 1.00 0.00 N ATOM 173 CA ILE A 13 -3.407 -7.816 -4.578 1.00 0.00 C ATOM 174 C ILE A 13 -2.205 -8.272 -3.707 1.00 0.00 C ATOM 175 O ILE A 13 -2.118 -7.939 -2.527 1.00 0.00 O ATOM 176 CB ILE A 13 -4.518 -8.952 -4.588 1.00 0.00 C ATOM 177 CG1 ILE A 13 -5.779 -8.560 -5.457 1.00 0.00 C ATOM 178 CG2 ILE A 13 -4.957 -9.317 -3.141 1.00 0.00 C ATOM 179 CD1 ILE A 13 -5.625 -8.733 -6.964 1.00 0.00 C ATOM 0 H ILE A 13 -3.187 -8.199 -6.630 1.00 0.00 H new ATOM 0 HA ILE A 13 -3.838 -6.913 -4.146 1.00 0.00 H new ATOM 0 HB ILE A 13 -4.061 -9.826 -5.052 1.00 0.00 H new ATOM 0 HG12 ILE A 13 -6.626 -9.161 -5.126 1.00 0.00 H new ATOM 0 HG13 ILE A 13 -6.028 -7.519 -5.253 1.00 0.00 H new ATOM 0 HG21 ILE A 13 -5.718 -10.097 -3.177 1.00 0.00 H new ATOM 0 HG22 ILE A 13 -4.095 -9.677 -2.579 1.00 0.00 H new ATOM 0 HG23 ILE A 13 -5.366 -8.433 -2.651 1.00 0.00 H new ATOM 0 HD11 ILE A 13 -6.548 -8.435 -7.461 1.00 0.00 H new ATOM 0 HD12 ILE A 13 -4.804 -8.110 -7.320 1.00 0.00 H new ATOM 0 HD13 ILE A 13 -5.412 -9.778 -7.190 1.00 0.00 H new ATOM 191 N CYS A 14 -1.266 -9.017 -4.317 1.00 0.00 N ATOM 192 CA CYS A 14 -0.206 -9.751 -3.581 1.00 0.00 C ATOM 193 C CYS A 14 1.167 -9.090 -3.708 1.00 0.00 C ATOM 194 O CYS A 14 1.891 -8.948 -2.721 1.00 0.00 O ATOM 195 CB CYS A 14 -0.124 -11.179 -4.118 1.00 0.00 C ATOM 196 SG CYS A 14 -1.643 -12.138 -3.900 1.00 0.00 S ATOM 0 H CYS A 14 -1.215 -9.131 -5.329 1.00 0.00 H new ATOM 0 HA CYS A 14 -0.476 -9.742 -2.525 1.00 0.00 H new ATOM 0 HB2 CYS A 14 0.121 -11.143 -5.179 1.00 0.00 H new ATOM 0 HB3 CYS A 14 0.695 -11.697 -3.619 1.00 0.00 H new ATOM 201 N TYR A 15 1.511 -8.745 -4.960 1.00 0.00 N ATOM 202 CA TYR A 15 2.816 -8.188 -5.399 1.00 0.00 C ATOM 203 C TYR A 15 3.899 -9.289 -5.508 1.00 0.00 C ATOM 204 O TYR A 15 4.506 -9.459 -6.561 1.00 0.00 O ATOM 205 CB TYR A 15 3.321 -7.007 -4.524 1.00 0.00 C ATOM 206 CG TYR A 15 2.335 -5.828 -4.404 1.00 0.00 C ATOM 207 CD1 TYR A 15 1.971 -5.070 -5.526 1.00 0.00 C ATOM 208 CD2 TYR A 15 1.775 -5.473 -3.173 1.00 0.00 C ATOM 209 CE1 TYR A 15 1.091 -4.005 -5.413 1.00 0.00 C ATOM 210 CE2 TYR A 15 0.902 -4.411 -3.060 1.00 0.00 C ATOM 211 CZ TYR A 15 0.563 -3.682 -4.177 1.00 0.00 C ATOM 212 OH TYR A 15 -0.302 -2.616 -4.055 1.00 0.00 O ATOM 0 H TYR A 15 0.859 -8.849 -5.737 1.00 0.00 H new ATOM 0 HA TYR A 15 2.632 -7.777 -6.392 1.00 0.00 H new ATOM 0 HB2 TYR A 15 3.542 -7.381 -3.525 1.00 0.00 H new ATOM 0 HB3 TYR A 15 4.258 -6.638 -4.941 1.00 0.00 H new ATOM 0 HD1 TYR A 15 2.382 -5.320 -6.493 1.00 0.00 H new ATOM 0 HD2 TYR A 15 2.031 -6.042 -2.292 1.00 0.00 H new ATOM 0 HE1 TYR A 15 0.819 -3.430 -6.286 1.00 0.00 H new ATOM 0 HE2 TYR A 15 0.486 -4.152 -2.098 1.00 0.00 H new ATOM 0 HH TYR A 15 -0.581 -2.527 -3.120 1.00 0.00 H new ATOM 222 N ALA A 16 4.070 -10.080 -4.438 1.00 0.00 N ATOM 223 CA ALA A 16 5.192 -11.041 -4.294 1.00 0.00 C ATOM 224 C ALA A 16 5.150 -12.230 -5.293 1.00 0.00 C ATOM 225 O ALA A 16 6.078 -13.034 -5.320 1.00 0.00 O ATOM 226 CB ALA A 16 5.241 -11.551 -2.851 1.00 0.00 C ATOM 0 H ALA A 16 3.435 -10.077 -3.640 1.00 0.00 H new ATOM 0 HA ALA A 16 6.102 -10.494 -4.539 1.00 0.00 H new ATOM 0 HB1 ALA A 16 6.064 -12.257 -2.742 1.00 0.00 H new ATOM 0 HB2 ALA A 16 5.392 -10.711 -2.173 1.00 0.00 H new ATOM 0 HB3 ALA A 16 4.302 -12.049 -2.609 1.00 0.00 H new ATOM 232 N HIS A 17 4.070 -12.344 -6.094 1.00 0.00 N ATOM 233 CA HIS A 17 3.971 -13.332 -7.196 1.00 0.00 C ATOM 234 C HIS A 17 3.390 -12.642 -8.454 1.00 0.00 C ATOM 235 O HIS A 17 2.377 -11.927 -8.346 1.00 0.00 O ATOM 236 CB HIS A 17 3.101 -14.554 -6.793 1.00 0.00 C ATOM 237 CG HIS A 17 3.723 -15.504 -5.801 1.00 0.00 C ATOM 238 ND1 HIS A 17 3.018 -16.082 -4.768 1.00 0.00 N ATOM 239 CD2 HIS A 17 4.982 -15.987 -5.700 1.00 0.00 C ATOM 240 CE1 HIS A 17 3.810 -16.883 -4.089 1.00 0.00 C ATOM 241 NE2 HIS A 17 5.006 -16.843 -4.630 1.00 0.00 N ATOM 0 H HIS A 17 3.242 -11.756 -5.998 1.00 0.00 H new ATOM 0 HA HIS A 17 4.971 -13.706 -7.414 1.00 0.00 H new ATOM 0 HB2 HIS A 17 2.163 -14.187 -6.377 1.00 0.00 H new ATOM 0 HB3 HIS A 17 2.852 -15.112 -7.695 1.00 0.00 H new ATOM 0 HD2 HIS A 17 5.814 -15.743 -6.343 1.00 0.00 H new ATOM 0 HE1 HIS A 17 3.525 -17.474 -3.231 1.00 0.00 H new ATOM 0 HE2 HIS A 17 5.821 -17.364 -4.306 1.00 0.00 H new ATOM 250 N PRO A 18 4.011 -12.846 -9.666 1.00 0.00 N ATOM 251 CA PRO A 18 3.633 -12.134 -10.906 1.00 0.00 C ATOM 252 C PRO A 18 2.474 -12.800 -11.701 1.00 0.00 C ATOM 253 O PRO A 18 2.695 -13.374 -12.784 1.00 0.00 O ATOM 254 CB PRO A 18 4.971 -12.131 -11.682 1.00 0.00 C ATOM 255 CG PRO A 18 5.592 -13.453 -11.345 1.00 0.00 C ATOM 256 CD PRO A 18 5.160 -13.769 -9.920 1.00 0.00 C ATOM 0 HA PRO A 18 3.223 -11.142 -10.715 1.00 0.00 H new ATOM 0 HB2 PRO A 18 4.809 -12.029 -12.755 1.00 0.00 H new ATOM 0 HB3 PRO A 18 5.608 -11.301 -11.375 1.00 0.00 H new ATOM 0 HG2 PRO A 18 5.258 -14.228 -12.035 1.00 0.00 H new ATOM 0 HG3 PRO A 18 6.678 -13.405 -11.422 1.00 0.00 H new ATOM 0 HD2 PRO A 18 4.862 -14.812 -9.817 1.00 0.00 H new ATOM 0 HD3 PRO A 18 5.971 -13.598 -9.212 1.00 0.00 H new ATOM 264 N ILE A 19 1.235 -12.708 -11.136 1.00 0.00 N ATOM 265 CA ILE A 19 -0.024 -13.213 -11.775 1.00 0.00 C ATOM 266 C ILE A 19 0.040 -14.768 -11.995 1.00 0.00 C ATOM 267 O ILE A 19 1.063 -15.391 -11.714 1.00 0.00 O ATOM 268 CB ILE A 19 -0.333 -12.388 -13.118 1.00 0.00 C ATOM 269 CG1 ILE A 19 -0.500 -10.859 -12.793 1.00 0.00 C ATOM 270 CG2 ILE A 19 -1.577 -12.897 -13.896 1.00 0.00 C ATOM 271 CD1 ILE A 19 -0.656 -9.947 -14.006 1.00 0.00 C ATOM 0 H ILE A 19 1.078 -12.281 -10.223 1.00 0.00 H new ATOM 0 HA ILE A 19 -0.865 -13.043 -11.103 1.00 0.00 H new ATOM 0 HB ILE A 19 0.526 -12.546 -13.770 1.00 0.00 H new ATOM 0 HG12 ILE A 19 -1.372 -10.734 -12.151 1.00 0.00 H new ATOM 0 HG13 ILE A 19 0.367 -10.529 -12.221 1.00 0.00 H new ATOM 0 HG21 ILE A 19 -1.720 -12.290 -14.790 1.00 0.00 H new ATOM 0 HG22 ILE A 19 -1.425 -13.937 -14.184 1.00 0.00 H new ATOM 0 HG23 ILE A 19 -2.459 -12.821 -13.261 1.00 0.00 H new ATOM 0 HD11 ILE A 19 -0.764 -8.915 -13.673 1.00 0.00 H new ATOM 0 HD12 ILE A 19 0.225 -10.033 -14.642 1.00 0.00 H new ATOM 0 HD13 ILE A 19 -1.541 -10.241 -14.571 1.00 0.00 H new ATOM 283 N SER A 20 -1.089 -15.397 -12.377 1.00 0.00 N ATOM 284 CA SER A 20 -1.154 -16.830 -12.760 1.00 0.00 C ATOM 285 C SER A 20 -2.370 -17.082 -13.672 1.00 0.00 C ATOM 286 O SER A 20 -2.306 -17.887 -14.605 1.00 0.00 O ATOM 287 CB SER A 20 -1.262 -17.735 -11.510 1.00 0.00 C ATOM 288 OG SER A 20 -0.131 -17.622 -10.669 1.00 0.00 O ATOM 0 H SER A 20 -1.992 -14.925 -12.430 1.00 0.00 H new ATOM 0 HA SER A 20 -0.236 -17.074 -13.294 1.00 0.00 H new ATOM 0 HB2 SER A 20 -2.158 -17.470 -10.948 1.00 0.00 H new ATOM 0 HB3 SER A 20 -1.377 -18.773 -11.824 1.00 0.00 H new ATOM 0 HG SER A 20 0.473 -16.937 -11.024 1.00 0.00 H new ATOM 294 N ALA A 21 -3.482 -16.393 -13.364 1.00 0.00 N ATOM 295 CA ALA A 21 -4.778 -16.579 -14.032 1.00 0.00 C ATOM 296 C ALA A 21 -5.339 -15.238 -14.546 1.00 0.00 C ATOM 297 O ALA A 21 -4.810 -14.163 -14.239 1.00 0.00 O ATOM 298 CB ALA A 21 -5.755 -17.263 -13.056 1.00 0.00 C ATOM 0 H ALA A 21 -3.504 -15.682 -12.633 1.00 0.00 H new ATOM 0 HA ALA A 21 -4.644 -17.218 -14.905 1.00 0.00 H new ATOM 0 HB1 ALA A 21 -6.719 -17.404 -13.545 1.00 0.00 H new ATOM 0 HB2 ALA A 21 -5.354 -18.232 -12.759 1.00 0.00 H new ATOM 0 HB3 ALA A 21 -5.885 -16.637 -12.173 1.00 0.00 H new ATOM 304 N VAL A 22 -6.427 -15.326 -15.322 1.00 0.00 N ATOM 305 CA VAL A 22 -7.113 -14.172 -15.921 1.00 0.00 C ATOM 306 C VAL A 22 -8.635 -14.403 -15.881 1.00 0.00 C ATOM 307 O VAL A 22 -9.113 -15.523 -16.099 1.00 0.00 O ATOM 308 CB VAL A 22 -6.628 -13.895 -17.402 1.00 0.00 C ATOM 309 CG1 VAL A 22 -6.752 -15.155 -18.287 1.00 0.00 C ATOM 310 CG2 VAL A 22 -7.374 -12.685 -18.036 1.00 0.00 C ATOM 0 H VAL A 22 -6.864 -16.218 -15.556 1.00 0.00 H new ATOM 0 HA VAL A 22 -6.862 -13.287 -15.336 1.00 0.00 H new ATOM 0 HB VAL A 22 -5.571 -13.635 -17.348 1.00 0.00 H new ATOM 0 HG11 VAL A 22 -6.410 -14.926 -19.296 1.00 0.00 H new ATOM 0 HG12 VAL A 22 -6.140 -15.955 -17.869 1.00 0.00 H new ATOM 0 HG13 VAL A 22 -7.793 -15.475 -18.321 1.00 0.00 H new ATOM 0 HG21 VAL A 22 -7.013 -12.527 -19.052 1.00 0.00 H new ATOM 0 HG22 VAL A 22 -8.445 -12.889 -18.059 1.00 0.00 H new ATOM 0 HG23 VAL A 22 -7.188 -11.791 -17.442 1.00 0.00 H new ATOM 320 N PHE A 23 -9.376 -13.328 -15.580 1.00 0.00 N ATOM 321 CA PHE A 23 -10.838 -13.342 -15.458 1.00 0.00 C ATOM 322 C PHE A 23 -11.453 -13.077 -16.836 1.00 0.00 C ATOM 323 O PHE A 23 -11.533 -11.931 -17.292 1.00 0.00 O ATOM 324 CB PHE A 23 -11.292 -12.291 -14.403 1.00 0.00 C ATOM 325 CG PHE A 23 -10.497 -12.381 -13.101 1.00 0.00 C ATOM 326 CD1 PHE A 23 -10.250 -13.619 -12.504 1.00 0.00 C ATOM 327 CD2 PHE A 23 -9.987 -11.241 -12.491 1.00 0.00 C ATOM 328 CE1 PHE A 23 -9.511 -13.708 -11.352 1.00 0.00 C ATOM 329 CE2 PHE A 23 -9.250 -11.333 -11.334 1.00 0.00 C ATOM 330 CZ PHE A 23 -9.016 -12.568 -10.763 1.00 0.00 C ATOM 0 H PHE A 23 -8.968 -12.409 -15.412 1.00 0.00 H new ATOM 0 HA PHE A 23 -11.183 -14.316 -15.112 1.00 0.00 H new ATOM 0 HB2 PHE A 23 -11.183 -11.291 -14.822 1.00 0.00 H new ATOM 0 HB3 PHE A 23 -12.351 -12.432 -14.188 1.00 0.00 H new ATOM 0 HD1 PHE A 23 -10.646 -14.517 -12.955 1.00 0.00 H new ATOM 0 HD2 PHE A 23 -10.172 -10.272 -12.931 1.00 0.00 H new ATOM 0 HE1 PHE A 23 -9.318 -14.673 -10.907 1.00 0.00 H new ATOM 0 HE2 PHE A 23 -8.855 -10.440 -10.872 1.00 0.00 H new ATOM 0 HZ PHE A 23 -8.442 -12.639 -9.851 1.00 0.00 H new ATOM 340 N GLN A 24 -11.807 -14.167 -17.507 1.00 0.00 N ATOM 341 CA GLN A 24 -12.307 -14.165 -18.883 1.00 0.00 C ATOM 342 C GLN A 24 -13.860 -14.096 -18.875 1.00 0.00 C ATOM 343 O GLN A 24 -14.491 -14.642 -17.956 1.00 0.00 O ATOM 344 CB GLN A 24 -11.765 -15.453 -19.605 1.00 0.00 C ATOM 345 CG GLN A 24 -11.508 -15.309 -21.122 1.00 0.00 C ATOM 346 CD GLN A 24 -10.359 -14.345 -21.491 1.00 0.00 C ATOM 347 OE1 GLN A 24 -10.056 -13.380 -20.784 1.00 0.00 O ATOM 348 NE2 GLN A 24 -9.709 -14.601 -22.616 1.00 0.00 N ATOM 0 H GLN A 24 -11.754 -15.102 -17.102 1.00 0.00 H new ATOM 0 HA GLN A 24 -11.954 -13.291 -19.431 1.00 0.00 H new ATOM 0 HB2 GLN A 24 -10.834 -15.753 -19.124 1.00 0.00 H new ATOM 0 HB3 GLN A 24 -12.479 -16.262 -19.451 1.00 0.00 H new ATOM 0 HG2 GLN A 24 -11.286 -16.293 -21.534 1.00 0.00 H new ATOM 0 HG3 GLN A 24 -12.424 -14.962 -21.601 1.00 0.00 H new ATOM 0 HE21 GLN A 24 -9.974 -15.404 -23.187 1.00 0.00 H new ATOM 0 HE22 GLN A 24 -8.943 -13.996 -22.912 1.00 0.00 H new ATOM 357 N PRO A 25 -14.525 -13.412 -19.869 1.00 0.00 N ATOM 358 CA PRO A 25 -13.885 -12.652 -20.982 1.00 0.00 C ATOM 359 C PRO A 25 -13.684 -11.136 -20.694 1.00 0.00 C ATOM 360 O PRO A 25 -13.821 -10.302 -21.606 1.00 0.00 O ATOM 361 CB PRO A 25 -14.897 -12.906 -22.121 1.00 0.00 C ATOM 362 CG PRO A 25 -16.239 -12.904 -21.441 1.00 0.00 C ATOM 363 CD PRO A 25 -16.006 -13.386 -20.011 1.00 0.00 C ATOM 0 HA PRO A 25 -12.864 -12.973 -21.189 1.00 0.00 H new ATOM 0 HB2 PRO A 25 -14.838 -12.130 -22.885 1.00 0.00 H new ATOM 0 HB3 PRO A 25 -14.705 -13.857 -22.617 1.00 0.00 H new ATOM 0 HG2 PRO A 25 -16.674 -11.905 -21.447 1.00 0.00 H new ATOM 0 HG3 PRO A 25 -16.938 -13.559 -21.961 1.00 0.00 H new ATOM 0 HD2 PRO A 25 -16.464 -12.714 -19.285 1.00 0.00 H new ATOM 0 HD3 PRO A 25 -16.439 -14.373 -19.848 1.00 0.00 H new ATOM 371 N CYS A 26 -13.338 -10.789 -19.438 1.00 0.00 N ATOM 372 CA CYS A 26 -13.033 -9.392 -19.053 1.00 0.00 C ATOM 373 C CYS A 26 -11.638 -8.962 -19.553 1.00 0.00 C ATOM 374 O CYS A 26 -11.532 -8.277 -20.579 1.00 0.00 O ATOM 375 CB CYS A 26 -13.143 -9.183 -17.527 1.00 0.00 C ATOM 376 SG CYS A 26 -12.534 -7.560 -16.989 1.00 0.00 S ATOM 0 H CYS A 26 -13.262 -11.456 -18.670 1.00 0.00 H new ATOM 0 HA CYS A 26 -13.780 -8.761 -19.535 1.00 0.00 H new ATOM 0 HB2 CYS A 26 -14.184 -9.293 -17.225 1.00 0.00 H new ATOM 0 HB3 CYS A 26 -12.579 -9.964 -17.017 1.00 0.00 H new ATOM 381 N GLY A 27 -10.566 -9.388 -18.839 1.00 0.00 N ATOM 382 CA GLY A 27 -9.199 -8.930 -19.137 1.00 0.00 C ATOM 383 C GLY A 27 -8.357 -8.693 -17.884 1.00 0.00 C ATOM 384 O GLY A 27 -7.122 -8.761 -17.952 1.00 0.00 O ATOM 0 H GLY A 27 -10.628 -10.043 -18.060 1.00 0.00 H new ATOM 0 HA2 GLY A 27 -8.704 -9.670 -19.765 1.00 0.00 H new ATOM 0 HA3 GLY A 27 -9.250 -8.006 -19.713 1.00 0.00 H new ATOM 388 N HIS A 28 -9.023 -8.378 -16.738 1.00 0.00 N ATOM 389 CA HIS A 28 -8.344 -8.255 -15.421 1.00 0.00 C ATOM 390 C HIS A 28 -7.661 -9.577 -15.044 1.00 0.00 C ATOM 391 O HIS A 28 -8.245 -10.648 -15.211 1.00 0.00 O ATOM 392 CB HIS A 28 -9.331 -7.839 -14.282 1.00 0.00 C ATOM 393 CG HIS A 28 -9.663 -6.368 -14.236 1.00 0.00 C ATOM 394 ND1 HIS A 28 -10.962 -5.928 -14.221 1.00 0.00 N ATOM 395 CD2 HIS A 28 -8.832 -5.301 -14.133 1.00 0.00 C ATOM 396 CE1 HIS A 28 -10.891 -4.611 -14.111 1.00 0.00 C ATOM 397 NE2 HIS A 28 -9.624 -4.193 -14.055 1.00 0.00 N ATOM 0 H HIS A 28 -10.028 -8.205 -16.702 1.00 0.00 H new ATOM 0 HA HIS A 28 -7.597 -7.468 -15.524 1.00 0.00 H new ATOM 0 HB2 HIS A 28 -10.257 -8.402 -14.400 1.00 0.00 H new ATOM 0 HB3 HIS A 28 -8.901 -8.130 -13.324 1.00 0.00 H new ATOM 0 HD2 HIS A 28 -7.752 -5.324 -14.116 1.00 0.00 H new ATOM 0 HE1 HIS A 28 -11.749 -3.957 -14.072 1.00 0.00 H new ATOM 0 HE2 HIS A 28 -9.308 -3.227 -13.970 1.00 0.00 H new ATOM 405 N LYS A 29 -6.429 -9.477 -14.534 1.00 0.00 N ATOM 406 CA LYS A 29 -5.592 -10.634 -14.195 1.00 0.00 C ATOM 407 C LYS A 29 -5.184 -10.585 -12.721 1.00 0.00 C ATOM 408 O LYS A 29 -5.104 -9.509 -12.115 1.00 0.00 O ATOM 409 CB LYS A 29 -4.337 -10.668 -15.102 1.00 0.00 C ATOM 410 CG LYS A 29 -4.659 -10.683 -16.606 1.00 0.00 C ATOM 411 CD LYS A 29 -3.416 -10.764 -17.507 1.00 0.00 C ATOM 412 CE LYS A 29 -3.774 -10.635 -18.998 1.00 0.00 C ATOM 413 NZ LYS A 29 -2.566 -10.598 -19.858 1.00 0.00 N ATOM 0 H LYS A 29 -5.980 -8.581 -14.343 1.00 0.00 H new ATOM 0 HA LYS A 29 -6.169 -11.543 -14.362 1.00 0.00 H new ATOM 0 HB2 LYS A 29 -3.717 -9.799 -14.881 1.00 0.00 H new ATOM 0 HB3 LYS A 29 -3.747 -11.551 -14.857 1.00 0.00 H new ATOM 0 HG2 LYS A 29 -5.307 -11.532 -16.821 1.00 0.00 H new ATOM 0 HG3 LYS A 29 -5.220 -9.783 -16.857 1.00 0.00 H new ATOM 0 HD2 LYS A 29 -2.717 -9.974 -17.232 1.00 0.00 H new ATOM 0 HD3 LYS A 29 -2.907 -11.713 -17.337 1.00 0.00 H new ATOM 0 HE2 LYS A 29 -4.404 -11.474 -19.294 1.00 0.00 H new ATOM 0 HE3 LYS A 29 -4.358 -9.728 -19.154 1.00 0.00 H new ATOM 0 HZ1 LYS A 29 -2.842 -10.375 -20.836 1.00 0.00 H new ATOM 0 HZ2 LYS A 29 -1.913 -9.868 -19.508 1.00 0.00 H new ATOM 0 HZ3 LYS A 29 -2.094 -11.525 -19.834 1.00 0.00 H new ATOM 427 N SER A 30 -4.912 -11.770 -12.179 1.00 0.00 N ATOM 428 CA SER A 30 -4.518 -11.977 -10.783 1.00 0.00 C ATOM 429 C SER A 30 -3.921 -13.392 -10.666 1.00 0.00 C ATOM 430 O SER A 30 -3.647 -14.025 -11.677 1.00 0.00 O ATOM 431 CB SER A 30 -5.747 -11.786 -9.856 1.00 0.00 C ATOM 432 OG SER A 30 -5.405 -11.850 -8.481 1.00 0.00 O ATOM 0 H SER A 30 -4.960 -12.638 -12.712 1.00 0.00 H new ATOM 0 HA SER A 30 -3.769 -11.249 -10.472 1.00 0.00 H new ATOM 0 HB2 SER A 30 -6.211 -10.823 -10.067 1.00 0.00 H new ATOM 0 HB3 SER A 30 -6.489 -12.553 -10.079 1.00 0.00 H new ATOM 0 HG SER A 30 -4.522 -11.447 -8.344 1.00 0.00 H new ATOM 438 N CYS A 31 -3.698 -13.889 -9.447 1.00 0.00 N ATOM 439 CA CYS A 31 -3.118 -15.231 -9.234 1.00 0.00 C ATOM 440 C CYS A 31 -4.211 -16.251 -8.853 1.00 0.00 C ATOM 441 O CYS A 31 -5.326 -15.854 -8.482 1.00 0.00 O ATOM 442 CB CYS A 31 -2.031 -15.155 -8.150 1.00 0.00 C ATOM 443 SG CYS A 31 -2.657 -14.832 -6.469 1.00 0.00 S ATOM 0 H CYS A 31 -3.909 -13.386 -8.585 1.00 0.00 H new ATOM 0 HA CYS A 31 -2.665 -15.573 -10.164 1.00 0.00 H new ATOM 0 HB2 CYS A 31 -1.477 -16.094 -8.143 1.00 0.00 H new ATOM 0 HB3 CYS A 31 -1.324 -14.370 -8.417 1.00 0.00 H new ATOM 448 N LYS A 32 -3.866 -17.561 -8.940 1.00 0.00 N ATOM 449 CA LYS A 32 -4.770 -18.694 -8.616 1.00 0.00 C ATOM 450 C LYS A 32 -5.336 -18.559 -7.181 1.00 0.00 C ATOM 451 O LYS A 32 -6.527 -18.768 -6.949 1.00 0.00 O ATOM 452 CB LYS A 32 -3.994 -20.045 -8.727 1.00 0.00 C ATOM 453 CG LYS A 32 -3.335 -20.333 -10.096 1.00 0.00 C ATOM 454 CD LYS A 32 -4.343 -20.721 -11.199 1.00 0.00 C ATOM 455 CE LYS A 32 -4.986 -22.103 -10.958 1.00 0.00 C ATOM 456 NZ LYS A 32 -5.878 -22.503 -12.080 1.00 0.00 N ATOM 0 H LYS A 32 -2.940 -17.864 -9.241 1.00 0.00 H new ATOM 0 HA LYS A 32 -5.596 -18.677 -9.327 1.00 0.00 H new ATOM 0 HB2 LYS A 32 -3.218 -20.060 -7.961 1.00 0.00 H new ATOM 0 HB3 LYS A 32 -4.683 -20.858 -8.499 1.00 0.00 H new ATOM 0 HG2 LYS A 32 -2.781 -19.450 -10.416 1.00 0.00 H new ATOM 0 HG3 LYS A 32 -2.610 -21.139 -9.978 1.00 0.00 H new ATOM 0 HD2 LYS A 32 -5.126 -19.965 -11.252 1.00 0.00 H new ATOM 0 HD3 LYS A 32 -3.836 -20.724 -12.164 1.00 0.00 H new ATOM 0 HE2 LYS A 32 -4.203 -22.851 -10.832 1.00 0.00 H new ATOM 0 HE3 LYS A 32 -5.557 -22.081 -10.030 1.00 0.00 H new ATOM 0 HZ1 LYS A 32 -6.514 -23.262 -11.764 1.00 0.00 H new ATOM 0 HZ2 LYS A 32 -6.441 -21.684 -12.385 1.00 0.00 H new ATOM 0 HZ3 LYS A 32 -5.303 -22.843 -12.877 1.00 0.00 H new ATOM 470 N ALA A 33 -4.449 -18.179 -6.241 1.00 0.00 N ATOM 471 CA ALA A 33 -4.778 -18.050 -4.807 1.00 0.00 C ATOM 472 C ALA A 33 -5.901 -17.017 -4.554 1.00 0.00 C ATOM 473 O ALA A 33 -6.836 -17.290 -3.795 1.00 0.00 O ATOM 474 CB ALA A 33 -3.514 -17.686 -4.015 1.00 0.00 C ATOM 0 H ALA A 33 -3.478 -17.951 -6.456 1.00 0.00 H new ATOM 0 HA ALA A 33 -5.155 -19.013 -4.463 1.00 0.00 H new ATOM 0 HB1 ALA A 33 -3.762 -17.592 -2.958 1.00 0.00 H new ATOM 0 HB2 ALA A 33 -2.766 -18.468 -4.144 1.00 0.00 H new ATOM 0 HB3 ALA A 33 -3.116 -16.739 -4.380 1.00 0.00 H new ATOM 480 N CYS A 34 -5.797 -15.845 -5.223 1.00 0.00 N ATOM 481 CA CYS A 34 -6.773 -14.731 -5.091 1.00 0.00 C ATOM 482 C CYS A 34 -8.199 -15.161 -5.468 1.00 0.00 C ATOM 483 O CYS A 34 -9.134 -14.970 -4.690 1.00 0.00 O ATOM 484 CB CYS A 34 -6.361 -13.508 -5.955 1.00 0.00 C ATOM 485 SG CYS A 34 -5.182 -12.373 -5.165 1.00 0.00 S ATOM 0 H CYS A 34 -5.035 -15.642 -5.870 1.00 0.00 H new ATOM 0 HA CYS A 34 -6.765 -14.446 -4.039 1.00 0.00 H new ATOM 0 HB2 CYS A 34 -5.926 -13.870 -6.886 1.00 0.00 H new ATOM 0 HB3 CYS A 34 -7.259 -12.949 -6.219 1.00 0.00 H new ATOM 490 N ILE A 35 -8.347 -15.733 -6.674 1.00 0.00 N ATOM 491 CA ILE A 35 -9.667 -16.084 -7.227 1.00 0.00 C ATOM 492 C ILE A 35 -10.287 -17.280 -6.470 1.00 0.00 C ATOM 493 O ILE A 35 -11.481 -17.266 -6.163 1.00 0.00 O ATOM 494 CB ILE A 35 -9.597 -16.339 -8.785 1.00 0.00 C ATOM 495 CG1 ILE A 35 -10.975 -16.798 -9.369 1.00 0.00 C ATOM 496 CG2 ILE A 35 -8.467 -17.318 -9.160 1.00 0.00 C ATOM 497 CD1 ILE A 35 -12.112 -15.798 -9.191 1.00 0.00 C ATOM 0 H ILE A 35 -7.565 -15.963 -7.288 1.00 0.00 H new ATOM 0 HA ILE A 35 -10.327 -15.230 -7.079 1.00 0.00 H new ATOM 0 HB ILE A 35 -9.358 -15.381 -9.247 1.00 0.00 H new ATOM 0 HG12 ILE A 35 -10.853 -17.002 -10.433 1.00 0.00 H new ATOM 0 HG13 ILE A 35 -11.259 -17.738 -8.895 1.00 0.00 H new ATOM 0 HG21 ILE A 35 -8.456 -17.464 -10.240 1.00 0.00 H new ATOM 0 HG22 ILE A 35 -7.509 -16.908 -8.839 1.00 0.00 H new ATOM 0 HG23 ILE A 35 -8.636 -18.275 -8.666 1.00 0.00 H new ATOM 0 HD11 ILE A 35 -13.025 -16.204 -9.627 1.00 0.00 H new ATOM 0 HD12 ILE A 35 -12.269 -15.611 -8.129 1.00 0.00 H new ATOM 0 HD13 ILE A 35 -11.856 -14.863 -9.690 1.00 0.00 H new ATOM 509 N ASN A 36 -9.451 -18.268 -6.114 1.00 0.00 N ATOM 510 CA ASN A 36 -9.878 -19.455 -5.338 1.00 0.00 C ATOM 511 C ASN A 36 -10.409 -19.040 -3.942 1.00 0.00 C ATOM 512 O ASN A 36 -11.361 -19.630 -3.414 1.00 0.00 O ATOM 513 CB ASN A 36 -8.687 -20.436 -5.214 1.00 0.00 C ATOM 514 CG ASN A 36 -9.028 -21.745 -4.499 1.00 0.00 C ATOM 515 OD1 ASN A 36 -9.471 -22.708 -5.118 1.00 0.00 O ATOM 516 ND2 ASN A 36 -8.804 -21.794 -3.196 1.00 0.00 N ATOM 0 H ASN A 36 -8.459 -18.272 -6.353 1.00 0.00 H new ATOM 0 HA ASN A 36 -10.695 -19.953 -5.860 1.00 0.00 H new ATOM 0 HB2 ASN A 36 -8.314 -20.666 -6.212 1.00 0.00 H new ATOM 0 HB3 ASN A 36 -7.877 -19.942 -4.677 1.00 0.00 H new ATOM 0 HD21 ASN A 36 -9.000 -22.650 -2.677 1.00 0.00 H new ATOM 0 HD22 ASN A 36 -8.435 -20.976 -2.711 1.00 0.00 H new ATOM 523 N GLN A 37 -9.774 -18.005 -3.374 1.00 0.00 N ATOM 524 CA GLN A 37 -10.167 -17.400 -2.086 1.00 0.00 C ATOM 525 C GLN A 37 -11.458 -16.558 -2.241 1.00 0.00 C ATOM 526 O GLN A 37 -12.350 -16.599 -1.386 1.00 0.00 O ATOM 527 CB GLN A 37 -8.992 -16.524 -1.570 1.00 0.00 C ATOM 528 CG GLN A 37 -9.237 -15.797 -0.237 1.00 0.00 C ATOM 529 CD GLN A 37 -8.007 -15.021 0.242 1.00 0.00 C ATOM 530 OE1 GLN A 37 -7.830 -13.842 -0.076 1.00 0.00 O ATOM 531 NE2 GLN A 37 -7.147 -15.678 1.006 1.00 0.00 N ATOM 0 H GLN A 37 -8.962 -17.556 -3.799 1.00 0.00 H new ATOM 0 HA GLN A 37 -10.380 -18.187 -1.363 1.00 0.00 H new ATOM 0 HB2 GLN A 37 -8.112 -17.157 -1.461 1.00 0.00 H new ATOM 0 HB3 GLN A 37 -8.757 -15.780 -2.331 1.00 0.00 H new ATOM 0 HG2 GLN A 37 -10.075 -15.109 -0.351 1.00 0.00 H new ATOM 0 HG3 GLN A 37 -9.522 -16.524 0.523 1.00 0.00 H new ATOM 0 HE21 GLN A 37 -7.323 -16.652 1.251 1.00 0.00 H new ATOM 0 HE22 GLN A 37 -6.309 -15.209 1.350 1.00 0.00 H new ATOM 540 N HIS A 38 -11.543 -15.819 -3.363 1.00 0.00 N ATOM 541 CA HIS A 38 -12.654 -14.888 -3.667 1.00 0.00 C ATOM 542 C HIS A 38 -13.987 -15.637 -3.883 1.00 0.00 C ATOM 543 O HIS A 38 -15.042 -15.169 -3.439 1.00 0.00 O ATOM 544 CB HIS A 38 -12.296 -14.050 -4.924 1.00 0.00 C ATOM 545 CG HIS A 38 -13.401 -13.156 -5.436 1.00 0.00 C ATOM 546 ND1 HIS A 38 -13.639 -11.919 -4.889 1.00 0.00 N ATOM 547 CD2 HIS A 38 -14.301 -13.377 -6.424 1.00 0.00 C ATOM 548 CE1 HIS A 38 -14.669 -11.426 -5.552 1.00 0.00 C ATOM 549 NE2 HIS A 38 -15.102 -12.273 -6.489 1.00 0.00 N ATOM 0 H HIS A 38 -10.834 -15.850 -4.096 1.00 0.00 H new ATOM 0 HA HIS A 38 -12.789 -14.228 -2.810 1.00 0.00 H new ATOM 0 HB2 HIS A 38 -11.428 -13.433 -4.694 1.00 0.00 H new ATOM 0 HB3 HIS A 38 -12.001 -14.730 -5.723 1.00 0.00 H new ATOM 0 HD1 HIS A 38 -13.126 -11.473 -4.128 1.00 0.00 H new ATOM 0 HD2 HIS A 38 -14.372 -14.259 -7.043 1.00 0.00 H new ATOM 0 HE1 HIS A 38 -15.107 -10.458 -5.360 1.00 0.00 H new ATOM 557 N LEU A 39 -13.904 -16.804 -4.550 1.00 0.00 N ATOM 558 CA LEU A 39 -15.081 -17.622 -4.933 1.00 0.00 C ATOM 559 C LEU A 39 -15.877 -18.138 -3.714 1.00 0.00 C ATOM 560 O LEU A 39 -17.039 -18.555 -3.858 1.00 0.00 O ATOM 561 CB LEU A 39 -14.640 -18.798 -5.846 1.00 0.00 C ATOM 562 CG LEU A 39 -14.215 -18.409 -7.298 1.00 0.00 C ATOM 563 CD1 LEU A 39 -13.652 -19.626 -8.064 1.00 0.00 C ATOM 564 CD2 LEU A 39 -15.383 -17.742 -8.068 1.00 0.00 C ATOM 0 H LEU A 39 -13.016 -17.212 -4.842 1.00 0.00 H new ATOM 0 HA LEU A 39 -15.758 -16.971 -5.486 1.00 0.00 H new ATOM 0 HB2 LEU A 39 -13.805 -19.311 -5.368 1.00 0.00 H new ATOM 0 HB3 LEU A 39 -15.460 -19.513 -5.907 1.00 0.00 H new ATOM 0 HG LEU A 39 -13.414 -17.674 -7.221 1.00 0.00 H new ATOM 0 HD11 LEU A 39 -13.366 -19.322 -9.071 1.00 0.00 H new ATOM 0 HD12 LEU A 39 -12.778 -20.014 -7.540 1.00 0.00 H new ATOM 0 HD13 LEU A 39 -14.414 -20.403 -8.123 1.00 0.00 H new ATOM 0 HD21 LEU A 39 -15.055 -17.483 -9.075 1.00 0.00 H new ATOM 0 HD22 LEU A 39 -16.223 -18.435 -8.127 1.00 0.00 H new ATOM 0 HD23 LEU A 39 -15.695 -16.838 -7.545 1.00 0.00 H new ATOM 576 N MET A 40 -15.241 -18.103 -2.527 1.00 0.00 N ATOM 577 CA MET A 40 -15.889 -18.448 -1.247 1.00 0.00 C ATOM 578 C MET A 40 -16.972 -17.415 -0.869 1.00 0.00 C ATOM 579 O MET A 40 -17.966 -17.762 -0.221 1.00 0.00 O ATOM 580 CB MET A 40 -14.837 -18.551 -0.110 1.00 0.00 C ATOM 581 CG MET A 40 -13.785 -19.656 -0.303 1.00 0.00 C ATOM 582 SD MET A 40 -12.638 -19.806 1.093 1.00 0.00 S ATOM 583 CE MET A 40 -13.747 -20.218 2.440 1.00 0.00 C ATOM 0 H MET A 40 -14.262 -17.834 -2.429 1.00 0.00 H new ATOM 0 HA MET A 40 -16.370 -19.418 -1.374 1.00 0.00 H new ATOM 0 HB2 MET A 40 -14.325 -17.593 -0.020 1.00 0.00 H new ATOM 0 HB3 MET A 40 -15.357 -18.724 0.832 1.00 0.00 H new ATOM 0 HG2 MET A 40 -14.292 -20.609 -0.451 1.00 0.00 H new ATOM 0 HG3 MET A 40 -13.217 -19.453 -1.211 1.00 0.00 H new ATOM 0 HE1 MET A 40 -13.291 -20.985 3.065 1.00 0.00 H new ATOM 0 HE2 MET A 40 -13.938 -19.328 3.039 1.00 0.00 H new ATOM 0 HE3 MET A 40 -14.688 -20.592 2.036 1.00 0.00 H new ATOM 593 N ASN A 41 -16.770 -16.149 -1.271 1.00 0.00 N ATOM 594 CA ASN A 41 -17.726 -15.058 -0.991 1.00 0.00 C ATOM 595 C ASN A 41 -18.519 -14.716 -2.274 1.00 0.00 C ATOM 596 O ASN A 41 -19.718 -15.003 -2.358 1.00 0.00 O ATOM 597 CB ASN A 41 -16.975 -13.806 -0.437 1.00 0.00 C ATOM 598 CG ASN A 41 -17.895 -12.750 0.213 1.00 0.00 C ATOM 599 OD1 ASN A 41 -19.072 -12.612 -0.127 1.00 0.00 O ATOM 600 ND2 ASN A 41 -17.355 -11.981 1.150 1.00 0.00 N ATOM 0 H ASN A 41 -15.947 -15.852 -1.795 1.00 0.00 H new ATOM 0 HA ASN A 41 -18.433 -15.385 -0.228 1.00 0.00 H new ATOM 0 HB2 ASN A 41 -16.241 -14.133 0.299 1.00 0.00 H new ATOM 0 HB3 ASN A 41 -16.423 -13.338 -1.252 1.00 0.00 H new ATOM 0 HD21 ASN A 41 -17.916 -11.260 1.603 1.00 0.00 H new ATOM 0 HD22 ASN A 41 -16.379 -12.111 1.417 1.00 0.00 H new ATOM 607 N ASN A 42 -17.830 -14.134 -3.285 1.00 0.00 N ATOM 608 CA ASN A 42 -18.471 -13.652 -4.545 1.00 0.00 C ATOM 609 C ASN A 42 -17.874 -14.354 -5.773 1.00 0.00 C ATOM 610 O ASN A 42 -16.868 -15.049 -5.673 1.00 0.00 O ATOM 611 CB ASN A 42 -18.327 -12.110 -4.689 1.00 0.00 C ATOM 612 CG ASN A 42 -19.100 -11.345 -3.618 1.00 0.00 C ATOM 613 OD1 ASN A 42 -20.285 -11.060 -3.772 1.00 0.00 O ATOM 614 ND2 ASN A 42 -18.442 -11.021 -2.521 1.00 0.00 N ATOM 0 H ASN A 42 -16.822 -13.984 -3.257 1.00 0.00 H new ATOM 0 HA ASN A 42 -19.531 -13.898 -4.488 1.00 0.00 H new ATOM 0 HB2 ASN A 42 -17.272 -11.841 -4.633 1.00 0.00 H new ATOM 0 HB3 ASN A 42 -18.681 -11.806 -5.674 1.00 0.00 H new ATOM 0 HD21 ASN A 42 -18.917 -10.520 -1.771 1.00 0.00 H new ATOM 0 HD22 ASN A 42 -17.458 -11.272 -2.423 1.00 0.00 H new ATOM 621 N LYS A 43 -18.516 -14.165 -6.939 1.00 0.00 N ATOM 622 CA LYS A 43 -18.065 -14.754 -8.225 1.00 0.00 C ATOM 623 C LYS A 43 -17.555 -13.635 -9.167 1.00 0.00 C ATOM 624 O LYS A 43 -17.310 -13.872 -10.350 1.00 0.00 O ATOM 625 CB LYS A 43 -19.244 -15.535 -8.902 1.00 0.00 C ATOM 626 CG LYS A 43 -20.163 -16.336 -7.940 1.00 0.00 C ATOM 627 CD LYS A 43 -19.421 -17.409 -7.107 1.00 0.00 C ATOM 628 CE LYS A 43 -20.351 -18.102 -6.093 1.00 0.00 C ATOM 629 NZ LYS A 43 -19.644 -19.134 -5.292 1.00 0.00 N ATOM 0 H LYS A 43 -19.362 -13.601 -7.023 1.00 0.00 H new ATOM 0 HA LYS A 43 -17.250 -15.451 -8.030 1.00 0.00 H new ATOM 0 HB2 LYS A 43 -19.858 -14.822 -9.452 1.00 0.00 H new ATOM 0 HB3 LYS A 43 -18.825 -16.226 -9.633 1.00 0.00 H new ATOM 0 HG2 LYS A 43 -20.655 -15.640 -7.261 1.00 0.00 H new ATOM 0 HG3 LYS A 43 -20.947 -16.821 -8.522 1.00 0.00 H new ATOM 0 HD2 LYS A 43 -18.995 -18.156 -7.777 1.00 0.00 H new ATOM 0 HD3 LYS A 43 -18.589 -16.945 -6.577 1.00 0.00 H new ATOM 0 HE2 LYS A 43 -20.776 -17.354 -5.424 1.00 0.00 H new ATOM 0 HE3 LYS A 43 -21.183 -18.565 -6.624 1.00 0.00 H new ATOM 0 HZ1 LYS A 43 -20.265 -19.464 -4.525 1.00 0.00 H new ATOM 0 HZ2 LYS A 43 -19.393 -19.937 -5.904 1.00 0.00 H new ATOM 0 HZ3 LYS A 43 -18.779 -18.725 -4.885 1.00 0.00 H new ATOM 643 N ASP A 44 -17.394 -12.419 -8.611 1.00 0.00 N ATOM 644 CA ASP A 44 -17.150 -11.184 -9.391 1.00 0.00 C ATOM 645 C ASP A 44 -15.659 -10.959 -9.722 1.00 0.00 C ATOM 646 O ASP A 44 -14.769 -11.556 -9.114 1.00 0.00 O ATOM 647 CB ASP A 44 -17.711 -9.974 -8.610 1.00 0.00 C ATOM 648 CG ASP A 44 -19.228 -10.056 -8.385 1.00 0.00 C ATOM 649 OD1 ASP A 44 -19.982 -10.133 -9.383 1.00 0.00 O ATOM 650 OD2 ASP A 44 -19.675 -10.070 -7.218 1.00 0.00 O ATOM 0 H ASP A 44 -17.429 -12.262 -7.604 1.00 0.00 H new ATOM 0 HA ASP A 44 -17.662 -11.295 -10.347 1.00 0.00 H new ATOM 0 HB2 ASP A 44 -17.209 -9.907 -7.645 1.00 0.00 H new ATOM 0 HB3 ASP A 44 -17.479 -9.058 -9.154 1.00 0.00 H new ATOM 655 N CYS A 45 -15.401 -10.066 -10.691 1.00 0.00 N ATOM 656 CA CYS A 45 -14.044 -9.775 -11.188 1.00 0.00 C ATOM 657 C CYS A 45 -13.413 -8.597 -10.443 1.00 0.00 C ATOM 658 O CYS A 45 -13.145 -7.541 -11.038 1.00 0.00 O ATOM 659 CB CYS A 45 -14.095 -9.524 -12.706 1.00 0.00 C ATOM 660 SG CYS A 45 -12.518 -9.069 -13.477 1.00 0.00 S ATOM 0 H CYS A 45 -16.130 -9.523 -11.154 1.00 0.00 H new ATOM 0 HA CYS A 45 -13.408 -10.639 -10.998 1.00 0.00 H new ATOM 0 HB2 CYS A 45 -14.471 -10.424 -13.193 1.00 0.00 H new ATOM 0 HB3 CYS A 45 -14.817 -8.731 -12.901 1.00 0.00 H new ATOM 665 N PHE A 46 -13.263 -8.797 -9.113 1.00 0.00 N ATOM 666 CA PHE A 46 -12.413 -7.989 -8.202 1.00 0.00 C ATOM 667 C PHE A 46 -12.585 -6.456 -8.361 1.00 0.00 C ATOM 668 O PHE A 46 -13.329 -5.832 -7.613 1.00 0.00 O ATOM 669 CB PHE A 46 -10.912 -8.395 -8.359 1.00 0.00 C ATOM 670 CG PHE A 46 -10.560 -9.795 -7.854 1.00 0.00 C ATOM 671 CD1 PHE A 46 -11.221 -10.926 -8.340 1.00 0.00 C ATOM 672 CD2 PHE A 46 -9.566 -9.978 -6.894 1.00 0.00 C ATOM 673 CE1 PHE A 46 -10.892 -12.184 -7.886 1.00 0.00 C ATOM 674 CE2 PHE A 46 -9.240 -11.238 -6.445 1.00 0.00 C ATOM 675 CZ PHE A 46 -9.903 -12.340 -6.940 1.00 0.00 C ATOM 0 H PHE A 46 -13.747 -9.551 -8.626 1.00 0.00 H new ATOM 0 HA PHE A 46 -12.756 -8.217 -7.193 1.00 0.00 H new ATOM 0 HB2 PHE A 46 -10.642 -8.328 -9.413 1.00 0.00 H new ATOM 0 HB3 PHE A 46 -10.298 -7.669 -7.826 1.00 0.00 H new ATOM 0 HD1 PHE A 46 -11.999 -10.812 -9.080 1.00 0.00 H new ATOM 0 HD2 PHE A 46 -9.044 -9.120 -6.497 1.00 0.00 H new ATOM 0 HE1 PHE A 46 -11.410 -13.049 -8.272 1.00 0.00 H new ATOM 0 HE2 PHE A 46 -8.464 -11.363 -5.704 1.00 0.00 H new ATOM 0 HZ PHE A 46 -9.647 -13.328 -6.586 1.00 0.00 H new ATOM 685 N PHE A 47 -11.899 -5.896 -9.375 1.00 0.00 N ATOM 686 CA PHE A 47 -11.763 -4.446 -9.585 1.00 0.00 C ATOM 687 C PHE A 47 -13.034 -3.858 -10.236 1.00 0.00 C ATOM 688 O PHE A 47 -13.548 -2.828 -9.791 1.00 0.00 O ATOM 689 CB PHE A 47 -10.527 -4.174 -10.484 1.00 0.00 C ATOM 690 CG PHE A 47 -9.242 -4.867 -10.016 1.00 0.00 C ATOM 691 CD1 PHE A 47 -8.467 -4.321 -8.996 1.00 0.00 C ATOM 692 CD2 PHE A 47 -8.816 -6.070 -10.593 1.00 0.00 C ATOM 693 CE1 PHE A 47 -7.308 -4.948 -8.572 1.00 0.00 C ATOM 694 CE2 PHE A 47 -7.659 -6.692 -10.169 1.00 0.00 C ATOM 695 CZ PHE A 47 -6.907 -6.131 -9.156 1.00 0.00 C ATOM 0 H PHE A 47 -11.416 -6.450 -10.082 1.00 0.00 H new ATOM 0 HA PHE A 47 -11.629 -3.962 -8.618 1.00 0.00 H new ATOM 0 HB2 PHE A 47 -10.752 -4.500 -11.500 1.00 0.00 H new ATOM 0 HB3 PHE A 47 -10.352 -3.099 -10.525 1.00 0.00 H new ATOM 0 HD1 PHE A 47 -8.774 -3.397 -8.530 1.00 0.00 H new ATOM 0 HD2 PHE A 47 -9.402 -6.518 -11.382 1.00 0.00 H new ATOM 0 HE1 PHE A 47 -6.716 -4.510 -7.782 1.00 0.00 H new ATOM 0 HE2 PHE A 47 -7.342 -7.616 -10.629 1.00 0.00 H new ATOM 0 HZ PHE A 47 -6.004 -6.619 -8.821 1.00 0.00 H new ATOM 705 N CYS A 48 -13.537 -4.529 -11.294 1.00 0.00 N ATOM 706 CA CYS A 48 -14.722 -4.047 -12.062 1.00 0.00 C ATOM 707 C CYS A 48 -16.007 -4.788 -11.642 1.00 0.00 C ATOM 708 O CYS A 48 -17.100 -4.442 -12.101 1.00 0.00 O ATOM 709 CB CYS A 48 -14.495 -4.223 -13.580 1.00 0.00 C ATOM 710 SG CYS A 48 -14.608 -5.949 -14.152 1.00 0.00 S ATOM 0 H CYS A 48 -13.147 -5.405 -11.641 1.00 0.00 H new ATOM 0 HA CYS A 48 -14.846 -2.988 -11.836 1.00 0.00 H new ATOM 0 HB2 CYS A 48 -15.229 -3.624 -14.118 1.00 0.00 H new ATOM 0 HB3 CYS A 48 -13.512 -3.829 -13.838 1.00 0.00 H new ATOM 715 N LYS A 49 -15.849 -5.830 -10.783 1.00 0.00 N ATOM 716 CA LYS A 49 -16.964 -6.623 -10.192 1.00 0.00 C ATOM 717 C LYS A 49 -17.870 -7.306 -11.250 1.00 0.00 C ATOM 718 O LYS A 49 -19.009 -7.663 -10.945 1.00 0.00 O ATOM 719 CB LYS A 49 -17.838 -5.775 -9.199 1.00 0.00 C ATOM 720 CG LYS A 49 -17.141 -5.311 -7.889 1.00 0.00 C ATOM 721 CD LYS A 49 -16.102 -4.183 -8.102 1.00 0.00 C ATOM 722 CE LYS A 49 -15.520 -3.641 -6.787 1.00 0.00 C ATOM 723 NZ LYS A 49 -16.559 -3.022 -5.925 1.00 0.00 N ATOM 0 H LYS A 49 -14.930 -6.149 -10.476 1.00 0.00 H new ATOM 0 HA LYS A 49 -16.471 -7.417 -9.631 1.00 0.00 H new ATOM 0 HB2 LYS A 49 -18.195 -4.891 -9.727 1.00 0.00 H new ATOM 0 HB3 LYS A 49 -18.716 -6.362 -8.930 1.00 0.00 H new ATOM 0 HG2 LYS A 49 -17.900 -4.966 -7.187 1.00 0.00 H new ATOM 0 HG3 LYS A 49 -16.646 -6.166 -7.429 1.00 0.00 H new ATOM 0 HD2 LYS A 49 -15.290 -4.559 -8.724 1.00 0.00 H new ATOM 0 HD3 LYS A 49 -16.570 -3.365 -8.649 1.00 0.00 H new ATOM 0 HE2 LYS A 49 -15.037 -4.453 -6.244 1.00 0.00 H new ATOM 0 HE3 LYS A 49 -14.749 -2.903 -7.010 1.00 0.00 H new ATOM 0 HZ1 LYS A 49 -16.102 -2.509 -5.144 1.00 0.00 H new ATOM 0 HZ2 LYS A 49 -17.128 -2.359 -6.489 1.00 0.00 H new ATOM 0 HZ3 LYS A 49 -17.176 -3.764 -5.537 1.00 0.00 H new ATOM 737 N THR A 50 -17.359 -7.511 -12.473 1.00 0.00 N ATOM 738 CA THR A 50 -18.085 -8.260 -13.520 1.00 0.00 C ATOM 739 C THR A 50 -18.079 -9.758 -13.171 1.00 0.00 C ATOM 740 O THR A 50 -17.004 -10.326 -12.960 1.00 0.00 O ATOM 741 CB THR A 50 -17.420 -8.036 -14.914 1.00 0.00 C ATOM 742 OG1 THR A 50 -17.293 -6.629 -15.158 1.00 0.00 O ATOM 743 CG2 THR A 50 -18.214 -8.687 -16.069 1.00 0.00 C ATOM 0 H THR A 50 -16.444 -7.169 -12.766 1.00 0.00 H new ATOM 0 HA THR A 50 -19.112 -7.899 -13.567 1.00 0.00 H new ATOM 0 HB THR A 50 -16.441 -8.515 -14.886 1.00 0.00 H new ATOM 0 HG1 THR A 50 -16.353 -6.366 -15.074 1.00 0.00 H new ATOM 0 HG21 THR A 50 -17.704 -8.498 -17.013 1.00 0.00 H new ATOM 0 HG22 THR A 50 -18.283 -9.762 -15.903 1.00 0.00 H new ATOM 0 HG23 THR A 50 -19.217 -8.261 -16.107 1.00 0.00 H new ATOM 751 N THR A 51 -19.265 -10.383 -13.096 1.00 0.00 N ATOM 752 CA THR A 51 -19.388 -11.805 -12.738 1.00 0.00 C ATOM 753 C THR A 51 -18.626 -12.678 -13.764 1.00 0.00 C ATOM 754 O THR A 51 -18.951 -12.685 -14.959 1.00 0.00 O ATOM 755 CB THR A 51 -20.885 -12.236 -12.638 1.00 0.00 C ATOM 756 OG1 THR A 51 -21.584 -11.333 -11.759 1.00 0.00 O ATOM 757 CG2 THR A 51 -21.039 -13.681 -12.114 1.00 0.00 C ATOM 0 H THR A 51 -20.157 -9.923 -13.280 1.00 0.00 H new ATOM 0 HA THR A 51 -18.941 -11.952 -11.755 1.00 0.00 H new ATOM 0 HB THR A 51 -21.309 -12.199 -13.641 1.00 0.00 H new ATOM 0 HG1 THR A 51 -20.972 -11.014 -11.064 1.00 0.00 H new ATOM 0 HG21 THR A 51 -22.097 -13.938 -12.061 1.00 0.00 H new ATOM 0 HG22 THR A 51 -20.532 -14.369 -12.790 1.00 0.00 H new ATOM 0 HG23 THR A 51 -20.597 -13.757 -11.121 1.00 0.00 H new ATOM 765 N ILE A 52 -17.580 -13.361 -13.268 1.00 0.00 N ATOM 766 CA ILE A 52 -16.616 -14.105 -14.091 1.00 0.00 C ATOM 767 C ILE A 52 -17.263 -15.371 -14.670 1.00 0.00 C ATOM 768 O ILE A 52 -17.805 -16.194 -13.922 1.00 0.00 O ATOM 769 CB ILE A 52 -15.345 -14.508 -13.253 1.00 0.00 C ATOM 770 CG1 ILE A 52 -14.773 -13.273 -12.491 1.00 0.00 C ATOM 771 CG2 ILE A 52 -14.259 -15.144 -14.158 1.00 0.00 C ATOM 772 CD1 ILE A 52 -13.673 -13.594 -11.501 1.00 0.00 C ATOM 0 H ILE A 52 -17.379 -13.411 -12.269 1.00 0.00 H new ATOM 0 HA ILE A 52 -16.308 -13.450 -14.906 1.00 0.00 H new ATOM 0 HB ILE A 52 -15.650 -15.254 -12.519 1.00 0.00 H new ATOM 0 HG12 ILE A 52 -14.390 -12.559 -13.220 1.00 0.00 H new ATOM 0 HG13 ILE A 52 -15.588 -12.781 -11.961 1.00 0.00 H new ATOM 0 HG21 ILE A 52 -13.393 -15.413 -13.553 1.00 0.00 H new ATOM 0 HG22 ILE A 52 -14.660 -16.039 -14.634 1.00 0.00 H new ATOM 0 HG23 ILE A 52 -13.959 -14.429 -14.924 1.00 0.00 H new ATOM 0 HD11 ILE A 52 -13.337 -12.675 -11.020 1.00 0.00 H new ATOM 0 HD12 ILE A 52 -14.053 -14.282 -10.745 1.00 0.00 H new ATOM 0 HD13 ILE A 52 -12.836 -14.056 -12.024 1.00 0.00 H new ATOM 784 N VAL A 53 -17.191 -15.511 -16.000 1.00 0.00 N ATOM 785 CA VAL A 53 -17.776 -16.645 -16.721 1.00 0.00 C ATOM 786 C VAL A 53 -16.774 -17.821 -16.742 1.00 0.00 C ATOM 787 O VAL A 53 -17.153 -18.981 -16.544 1.00 0.00 O ATOM 788 CB VAL A 53 -18.189 -16.231 -18.182 1.00 0.00 C ATOM 789 CG1 VAL A 53 -18.933 -17.371 -18.910 1.00 0.00 C ATOM 790 CG2 VAL A 53 -19.038 -14.936 -18.169 1.00 0.00 C ATOM 0 H VAL A 53 -16.723 -14.838 -16.607 1.00 0.00 H new ATOM 0 HA VAL A 53 -18.681 -16.963 -16.203 1.00 0.00 H new ATOM 0 HB VAL A 53 -17.272 -16.034 -18.738 1.00 0.00 H new ATOM 0 HG11 VAL A 53 -19.201 -17.047 -19.915 1.00 0.00 H new ATOM 0 HG12 VAL A 53 -18.286 -18.246 -18.972 1.00 0.00 H new ATOM 0 HG13 VAL A 53 -19.837 -17.626 -18.358 1.00 0.00 H new ATOM 0 HG21 VAL A 53 -19.311 -14.670 -19.190 1.00 0.00 H new ATOM 0 HG22 VAL A 53 -19.942 -15.099 -17.582 1.00 0.00 H new ATOM 0 HG23 VAL A 53 -18.459 -14.126 -17.726 1.00 0.00 H new ATOM 800 N SER A 54 -15.485 -17.502 -16.966 1.00 0.00 N ATOM 801 CA SER A 54 -14.389 -18.495 -16.981 1.00 0.00 C ATOM 802 C SER A 54 -13.087 -17.851 -16.470 1.00 0.00 C ATOM 803 O SER A 54 -12.852 -16.668 -16.694 1.00 0.00 O ATOM 804 CB SER A 54 -14.180 -19.044 -18.414 1.00 0.00 C ATOM 805 OG SER A 54 -15.364 -19.639 -18.928 1.00 0.00 O ATOM 0 H SER A 54 -15.172 -16.547 -17.142 1.00 0.00 H new ATOM 0 HA SER A 54 -14.659 -19.322 -16.325 1.00 0.00 H new ATOM 0 HB2 SER A 54 -13.865 -18.234 -19.072 1.00 0.00 H new ATOM 0 HB3 SER A 54 -13.376 -19.780 -18.408 1.00 0.00 H new ATOM 0 HG SER A 54 -15.196 -19.973 -19.834 1.00 0.00 H new ATOM 811 N VAL A 55 -12.255 -18.634 -15.763 1.00 0.00 N ATOM 812 CA VAL A 55 -10.927 -18.196 -15.289 1.00 0.00 C ATOM 813 C VAL A 55 -9.856 -19.044 -15.998 1.00 0.00 C ATOM 814 O VAL A 55 -9.686 -20.226 -15.668 1.00 0.00 O ATOM 815 CB VAL A 55 -10.773 -18.342 -13.720 1.00 0.00 C ATOM 816 CG1 VAL A 55 -9.428 -17.753 -13.225 1.00 0.00 C ATOM 817 CG2 VAL A 55 -11.966 -17.702 -12.973 1.00 0.00 C ATOM 0 H VAL A 55 -12.484 -19.593 -15.502 1.00 0.00 H new ATOM 0 HA VAL A 55 -10.807 -17.138 -15.525 1.00 0.00 H new ATOM 0 HB VAL A 55 -10.772 -19.408 -13.493 1.00 0.00 H new ATOM 0 HG11 VAL A 55 -9.356 -17.870 -12.144 1.00 0.00 H new ATOM 0 HG12 VAL A 55 -8.602 -18.280 -13.703 1.00 0.00 H new ATOM 0 HG13 VAL A 55 -9.379 -16.694 -13.479 1.00 0.00 H new ATOM 0 HG21 VAL A 55 -11.828 -17.820 -11.898 1.00 0.00 H new ATOM 0 HG22 VAL A 55 -12.021 -16.641 -13.217 1.00 0.00 H new ATOM 0 HG23 VAL A 55 -12.891 -18.193 -13.276 1.00 0.00 H new ATOM 827 N GLU A 56 -9.163 -18.453 -16.990 1.00 0.00 N ATOM 828 CA GLU A 56 -8.108 -19.154 -17.748 1.00 0.00 C ATOM 829 C GLU A 56 -6.754 -18.984 -17.046 1.00 0.00 C ATOM 830 O GLU A 56 -6.485 -17.938 -16.459 1.00 0.00 O ATOM 831 CB GLU A 56 -8.017 -18.641 -19.219 1.00 0.00 C ATOM 832 CG GLU A 56 -9.336 -18.729 -20.023 1.00 0.00 C ATOM 833 CD GLU A 56 -9.133 -18.583 -21.544 1.00 0.00 C ATOM 834 OE1 GLU A 56 -8.990 -17.446 -22.036 1.00 0.00 O ATOM 835 OE2 GLU A 56 -9.096 -19.607 -22.256 1.00 0.00 O ATOM 0 H GLU A 56 -9.315 -17.489 -17.286 1.00 0.00 H new ATOM 0 HA GLU A 56 -8.369 -20.212 -17.781 1.00 0.00 H new ATOM 0 HB2 GLU A 56 -7.685 -17.603 -19.206 1.00 0.00 H new ATOM 0 HB3 GLU A 56 -7.251 -19.214 -19.741 1.00 0.00 H new ATOM 0 HG2 GLU A 56 -9.816 -19.686 -19.818 1.00 0.00 H new ATOM 0 HG3 GLU A 56 -10.017 -17.951 -19.678 1.00 0.00 H new ATOM 842 N ASP A 57 -5.918 -20.027 -17.099 1.00 0.00 N ATOM 843 CA ASP A 57 -4.536 -19.967 -16.612 1.00 0.00 C ATOM 844 C ASP A 57 -3.696 -19.152 -17.606 1.00 0.00 C ATOM 845 O ASP A 57 -3.382 -19.634 -18.702 1.00 0.00 O ATOM 846 CB ASP A 57 -3.951 -21.398 -16.423 1.00 0.00 C ATOM 847 CG ASP A 57 -4.466 -22.116 -15.158 1.00 0.00 C ATOM 848 OD1 ASP A 57 -5.660 -22.473 -15.100 1.00 0.00 O ATOM 849 OD2 ASP A 57 -3.678 -22.331 -14.211 1.00 0.00 O ATOM 0 H ASP A 57 -6.181 -20.936 -17.481 1.00 0.00 H new ATOM 0 HA ASP A 57 -4.514 -19.480 -15.637 1.00 0.00 H new ATOM 0 HB2 ASP A 57 -4.197 -22.000 -17.298 1.00 0.00 H new ATOM 0 HB3 ASP A 57 -2.864 -21.333 -16.376 1.00 0.00 H new ATOM 854 N TRP A 58 -3.392 -17.899 -17.234 1.00 0.00 N ATOM 855 CA TRP A 58 -2.575 -17.002 -18.048 1.00 0.00 C ATOM 856 C TRP A 58 -1.105 -17.462 -18.001 1.00 0.00 C ATOM 857 O TRP A 58 -0.376 -17.163 -17.046 1.00 0.00 O ATOM 858 CB TRP A 58 -2.721 -15.530 -17.564 1.00 0.00 C ATOM 859 CG TRP A 58 -1.924 -14.546 -18.400 1.00 0.00 C ATOM 860 CD1 TRP A 58 -2.195 -14.160 -19.683 1.00 0.00 C ATOM 861 CD2 TRP A 58 -0.719 -13.853 -18.021 1.00 0.00 C ATOM 862 NE1 TRP A 58 -1.250 -13.264 -20.116 1.00 0.00 N ATOM 863 CE2 TRP A 58 -0.337 -13.056 -19.115 1.00 0.00 C ATOM 864 CE3 TRP A 58 0.063 -13.820 -16.862 1.00 0.00 C ATOM 865 CZ2 TRP A 58 0.788 -12.242 -19.088 1.00 0.00 C ATOM 866 CZ3 TRP A 58 1.183 -13.014 -16.832 1.00 0.00 C ATOM 867 CH2 TRP A 58 1.537 -12.231 -17.940 1.00 0.00 C ATOM 0 H TRP A 58 -3.709 -17.484 -16.358 1.00 0.00 H new ATOM 0 HA TRP A 58 -2.921 -17.040 -19.081 1.00 0.00 H new ATOM 0 HB2 TRP A 58 -3.774 -15.249 -17.588 1.00 0.00 H new ATOM 0 HB3 TRP A 58 -2.397 -15.461 -16.526 1.00 0.00 H new ATOM 0 HD1 TRP A 58 -3.031 -14.509 -20.270 1.00 0.00 H new ATOM 0 HE1 TRP A 58 -1.230 -12.823 -21.036 1.00 0.00 H new ATOM 0 HE3 TRP A 58 -0.206 -14.417 -16.003 1.00 0.00 H new ATOM 0 HZ2 TRP A 58 1.063 -11.639 -19.941 1.00 0.00 H new ATOM 0 HZ3 TRP A 58 1.795 -12.986 -15.943 1.00 0.00 H new ATOM 0 HH2 TRP A 58 2.417 -11.607 -17.888 1.00 0.00 H new ATOM 878 N GLU A 59 -0.714 -18.258 -19.005 1.00 0.00 N ATOM 879 CA GLU A 59 0.672 -18.676 -19.213 1.00 0.00 C ATOM 880 C GLU A 59 1.381 -17.570 -20.007 1.00 0.00 C ATOM 881 O GLU A 59 0.981 -17.263 -21.137 1.00 0.00 O ATOM 882 CB GLU A 59 0.698 -20.027 -19.974 1.00 0.00 C ATOM 883 CG GLU A 59 -0.090 -21.153 -19.268 1.00 0.00 C ATOM 884 CD GLU A 59 -0.104 -22.471 -20.055 1.00 0.00 C ATOM 885 OE1 GLU A 59 -0.863 -22.579 -21.042 1.00 0.00 O ATOM 886 OE2 GLU A 59 0.645 -23.409 -19.700 1.00 0.00 O ATOM 0 H GLU A 59 -1.360 -18.632 -19.700 1.00 0.00 H new ATOM 0 HA GLU A 59 1.186 -18.824 -18.264 1.00 0.00 H new ATOM 0 HB2 GLU A 59 0.287 -19.879 -20.973 1.00 0.00 H new ATOM 0 HB3 GLU A 59 1.733 -20.344 -20.099 1.00 0.00 H new ATOM 0 HG2 GLU A 59 0.345 -21.330 -18.285 1.00 0.00 H new ATOM 0 HG3 GLU A 59 -1.116 -20.823 -19.107 1.00 0.00 H new ATOM 893 N LYS A 60 2.404 -16.952 -19.398 1.00 0.00 N ATOM 894 CA LYS A 60 3.076 -15.758 -19.956 1.00 0.00 C ATOM 895 C LYS A 60 3.928 -16.091 -21.205 1.00 0.00 C ATOM 896 O LYS A 60 4.286 -15.191 -21.977 1.00 0.00 O ATOM 897 CB LYS A 60 3.940 -15.064 -18.864 1.00 0.00 C ATOM 898 CG LYS A 60 5.100 -15.912 -18.285 1.00 0.00 C ATOM 899 CD LYS A 60 5.947 -15.132 -17.239 1.00 0.00 C ATOM 900 CE LYS A 60 5.173 -14.796 -15.948 1.00 0.00 C ATOM 901 NZ LYS A 60 4.843 -16.014 -15.163 1.00 0.00 N ATOM 0 H LYS A 60 2.792 -17.261 -18.507 1.00 0.00 H new ATOM 0 HA LYS A 60 2.297 -15.069 -20.282 1.00 0.00 H new ATOM 0 HB2 LYS A 60 4.358 -14.149 -19.285 1.00 0.00 H new ATOM 0 HB3 LYS A 60 3.286 -14.768 -18.044 1.00 0.00 H new ATOM 0 HG2 LYS A 60 4.692 -16.810 -17.820 1.00 0.00 H new ATOM 0 HG3 LYS A 60 5.747 -16.240 -19.099 1.00 0.00 H new ATOM 0 HD2 LYS A 60 6.827 -15.722 -16.983 1.00 0.00 H new ATOM 0 HD3 LYS A 60 6.305 -14.206 -17.690 1.00 0.00 H new ATOM 0 HE2 LYS A 60 5.768 -14.120 -15.334 1.00 0.00 H new ATOM 0 HE3 LYS A 60 4.254 -14.269 -16.203 1.00 0.00 H new ATOM 0 HZ1 LYS A 60 4.368 -15.739 -14.279 1.00 0.00 H new ATOM 0 HZ2 LYS A 60 4.212 -16.625 -15.720 1.00 0.00 H new ATOM 0 HZ3 LYS A 60 5.718 -16.531 -14.940 1.00 0.00 H new ATOM 915 N GLY A 61 4.244 -17.382 -21.385 1.00 0.00 N ATOM 916 CA GLY A 61 4.994 -17.866 -22.548 1.00 0.00 C ATOM 917 C GLY A 61 5.792 -19.126 -22.210 1.00 0.00 C ATOM 918 O GLY A 61 5.228 -20.233 -22.254 1.00 0.00 O ATOM 919 OXT GLY A 61 6.971 -19.011 -21.834 1.00 0.00 O ATOM 0 H GLY A 61 3.986 -18.118 -20.727 1.00 0.00 H new ATOM 0 HA2 GLY A 61 4.305 -18.078 -23.365 1.00 0.00 H new ATOM 0 HA3 GLY A 61 5.672 -17.087 -22.896 1.00 0.00 H new TER 923 GLY A 61 HETATM 924 ZN ZN A 101 -2.956 -12.602 -5.800 1.00 0.00 ZN HETATM 925 ZN ZN A 102 -12.631 -7.087 -14.707 1.00 0.00 ZN