USER MOD reduce.3.24.130724 H: found=0, std=0, add=816, rem=0, adj=25 USER MOD reduce.3.24.130724 removed 813 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 25 SER OG : rot 180:sc= 0 USER MOD Set 1.2: A 84 THR OG1 : rot -47:sc= 0.838 USER MOD Single : A 1 SER N :NH3+ 144:sc= 0.0163 (180deg=0) USER MOD Single : A 1 SER OG : rot 180:sc= 0 USER MOD Single : A 3 THR OG1 : rot -55:sc= -0.796 USER MOD Single : A 7 SER OG : rot -109:sc= 0.372 USER MOD Single : A 9 SER OG : rot -50:sc= 0.145 USER MOD Single : A 18 CYS SG : rot 180:sc= 0 USER MOD Single : A 19 GLN : amide:sc= -0.0819 X(o=-0.082,f=0) USER MOD Single : A 23 SER OG : rot 63:sc= -0.414 USER MOD Single : A 27 LYS NZ :NH3+ -153:sc= -0.126 (180deg=-0.854) USER MOD Single : A 28 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 31 GLN : amide:sc= 1.12 K(o=1.1,f=-0.038) USER MOD Single : A 33 SER OG : rot -132:sc= 0.399 USER MOD Single : A 35 MET CE :methyl -131:sc= -0.167 (180deg=-3.71!) USER MOD Single : A 36 SER OG : rot 180:sc= 0 USER MOD Single : A 37 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 38 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 39 SER OG : rot 180:sc= 0 USER MOD Single : A 40 SER OG : rot -59:sc= 1.18 USER MOD Single : A 41 SER OG : rot -16:sc= 0.501 USER MOD Single : A 42 GLN : amide:sc= -5.4! K(o=-5.4!,f=-1.1) USER MOD Single : A 44 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 52 ASN : amide:sc= -0.139 X(o=-0.14,f=-0.27) USER MOD Single : A 54 GLN : amide:sc= -0.843 X(o=-0.84,f=-0.5) USER MOD Single : A 55 SER OG : rot 180:sc= 0 USER MOD Single : A 64 LYS NZ :NH3+ -110:sc= 0.716 (180deg=-0.245) USER MOD Single : A 65 TYR OH : rot 180:sc= 0 USER MOD Single : A 68 GLN : amide:sc= -1.5 K(o=-1.5,f=-0.89) USER MOD Single : A 72 SER OG : rot 180:sc= 0 USER MOD Single : A 78 THR OG1 : rot 170:sc= 0.264 USER MOD Single : A 80 SER OG : rot 180:sc= 0 USER MOD Single : A 82 THR OG1 : rot -93:sc= 0.00113 USER MOD Single : A 83 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 91 HIS : no HD1:sc= -0.388 K(o=-0.39,f=-1.1) USER MOD Single : A 96 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 103 GLN : amide:sc= -9.72! C(o=-9.7!,f=-9.9!) USER MOD Single : A 105 MET CE :methyl 176:sc= -1.1 (180deg=-1.13) USER MOD Single : A 107 GLN : amide:sc= -0.918 K(o=-0.92,f=-0.15) USER MOD Single : A 108 SER OG : rot -37:sc= 0.963 USER MOD ----------------------------------------------------------------- ATOM 1 N SER A 1 4.915 -0.254 2.175 1.00 0.00 N ATOM 2 CA SER A 1 3.674 -0.760 1.599 1.00 0.00 C ATOM 3 C SER A 1 3.961 -1.709 0.440 1.00 0.00 C ATOM 4 O SER A 1 4.947 -1.548 -0.280 1.00 0.00 O ATOM 5 CB SER A 1 2.800 0.400 1.119 1.00 0.00 C ATOM 6 OG SER A 1 1.433 0.028 1.085 1.00 0.00 O ATOM 0 H1 SER A 1 4.783 0.734 2.471 1.00 0.00 H new ATOM 0 H2 SER A 1 5.175 -0.831 3.000 1.00 0.00 H new ATOM 0 H3 SER A 1 5.673 -0.304 1.465 1.00 0.00 H new ATOM 0 HA SER A 1 3.141 -1.311 2.374 1.00 0.00 H new ATOM 0 HB2 SER A 1 2.931 1.256 1.781 1.00 0.00 H new ATOM 0 HB3 SER A 1 3.120 0.713 0.125 1.00 0.00 H new ATOM 0 HG SER A 1 0.895 0.787 0.777 1.00 0.00 H new ATOM 12 N LEU A 2 3.092 -2.699 0.266 1.00 0.00 N ATOM 13 CA LEU A 2 3.251 -3.676 -0.806 1.00 0.00 C ATOM 14 C LEU A 2 1.996 -4.531 -0.953 1.00 0.00 C ATOM 15 O LEU A 2 1.227 -4.694 -0.004 1.00 0.00 O ATOM 16 CB LEU A 2 4.462 -4.570 -0.533 1.00 0.00 C ATOM 17 CG LEU A 2 4.778 -5.616 -1.602 1.00 0.00 C ATOM 18 CD1 LEU A 2 5.154 -4.943 -2.913 1.00 0.00 C ATOM 19 CD2 LEU A 2 5.895 -6.537 -1.133 1.00 0.00 C ATOM 0 H LEU A 2 2.271 -2.846 0.853 1.00 0.00 H new ATOM 0 HA LEU A 2 3.411 -3.134 -1.738 1.00 0.00 H new ATOM 0 HB2 LEU A 2 5.337 -3.933 -0.406 1.00 0.00 H new ATOM 0 HB3 LEU A 2 4.302 -5.085 0.415 1.00 0.00 H new ATOM 0 HG LEU A 2 3.885 -6.218 -1.770 1.00 0.00 H new ATOM 0 HD11 LEU A 2 5.376 -5.703 -3.662 1.00 0.00 H new ATOM 0 HD12 LEU A 2 4.324 -4.326 -3.257 1.00 0.00 H new ATOM 0 HD13 LEU A 2 6.033 -4.316 -2.761 1.00 0.00 H new ATOM 0 HD21 LEU A 2 6.107 -7.275 -1.906 1.00 0.00 H new ATOM 0 HD22 LEU A 2 6.792 -5.950 -0.936 1.00 0.00 H new ATOM 0 HD23 LEU A 2 5.587 -7.046 -0.220 1.00 0.00 H new ATOM 31 N THR A 3 1.796 -5.079 -2.147 1.00 0.00 N ATOM 32 CA THR A 3 0.636 -5.918 -2.419 1.00 0.00 C ATOM 33 C THR A 3 -0.603 -5.393 -1.702 1.00 0.00 C ATOM 34 O THR A 3 -1.366 -6.162 -1.118 1.00 0.00 O ATOM 35 CB THR A 3 0.884 -7.376 -1.988 1.00 0.00 C ATOM 36 OG1 THR A 3 -0.263 -8.178 -2.289 1.00 0.00 O ATOM 37 CG2 THR A 3 1.189 -7.456 -0.500 1.00 0.00 C ATOM 0 H THR A 3 2.423 -4.957 -2.942 1.00 0.00 H new ATOM 0 HA THR A 3 0.470 -5.888 -3.496 1.00 0.00 H new ATOM 0 HB THR A 3 1.745 -7.753 -2.540 1.00 0.00 H new ATOM 0 HG1 THR A 3 -1.057 -7.784 -1.871 1.00 0.00 H new ATOM 0 HG21 THR A 3 1.360 -8.495 -0.219 1.00 0.00 H new ATOM 0 HG22 THR A 3 2.080 -6.869 -0.279 1.00 0.00 H new ATOM 0 HG23 THR A 3 0.345 -7.062 0.066 1.00 0.00 H new ATOM 45 N ASP A 4 -0.797 -4.080 -1.751 1.00 0.00 N ATOM 46 CA ASP A 4 -1.944 -3.451 -1.108 1.00 0.00 C ATOM 47 C ASP A 4 -3.244 -3.868 -1.789 1.00 0.00 C ATOM 48 O ASP A 4 -4.160 -4.377 -1.142 1.00 0.00 O ATOM 49 CB ASP A 4 -1.803 -1.929 -1.138 1.00 0.00 C ATOM 50 CG ASP A 4 -3.025 -1.223 -0.584 1.00 0.00 C ATOM 51 OD1 ASP A 4 -3.989 -1.016 -1.350 1.00 0.00 O ATOM 52 OD2 ASP A 4 -3.017 -0.875 0.616 1.00 0.00 O ATOM 0 H ASP A 4 -0.174 -3.430 -2.230 1.00 0.00 H new ATOM 0 HA ASP A 4 -1.975 -3.784 -0.070 1.00 0.00 H new ATOM 0 HB2 ASP A 4 -0.926 -1.637 -0.561 1.00 0.00 H new ATOM 0 HB3 ASP A 4 -1.633 -1.603 -2.164 1.00 0.00 H new ATOM 57 N ILE A 5 -3.318 -3.646 -3.097 1.00 0.00 N ATOM 58 CA ILE A 5 -4.506 -3.999 -3.865 1.00 0.00 C ATOM 59 C ILE A 5 -4.630 -5.510 -4.023 1.00 0.00 C ATOM 60 O ILE A 5 -5.718 -6.033 -4.266 1.00 0.00 O ATOM 61 CB ILE A 5 -4.488 -3.347 -5.260 1.00 0.00 C ATOM 62 CG1 ILE A 5 -5.899 -2.910 -5.661 1.00 0.00 C ATOM 63 CG2 ILE A 5 -3.914 -4.311 -6.288 1.00 0.00 C ATOM 64 CD1 ILE A 5 -6.005 -1.436 -5.985 1.00 0.00 C ATOM 0 H ILE A 5 -2.570 -3.224 -3.647 1.00 0.00 H new ATOM 0 HA ILE A 5 -5.365 -3.624 -3.309 1.00 0.00 H new ATOM 0 HB ILE A 5 -3.851 -2.463 -5.224 1.00 0.00 H new ATOM 0 HG12 ILE A 5 -6.217 -3.488 -6.528 1.00 0.00 H new ATOM 0 HG13 ILE A 5 -6.588 -3.146 -4.850 1.00 0.00 H new ATOM 0 HG21 ILE A 5 -3.908 -3.836 -7.269 1.00 0.00 H new ATOM 0 HG22 ILE A 5 -2.895 -4.578 -6.008 1.00 0.00 H new ATOM 0 HG23 ILE A 5 -4.527 -5.211 -6.325 1.00 0.00 H new ATOM 0 HD11 ILE A 5 -7.032 -1.197 -6.261 1.00 0.00 H new ATOM 0 HD12 ILE A 5 -5.718 -0.850 -5.112 1.00 0.00 H new ATOM 0 HD13 ILE A 5 -5.341 -1.198 -6.816 1.00 0.00 H new ATOM 76 N LEU A 6 -3.508 -6.208 -3.884 1.00 0.00 N ATOM 77 CA LEU A 6 -3.490 -7.661 -4.009 1.00 0.00 C ATOM 78 C LEU A 6 -3.630 -8.328 -2.644 1.00 0.00 C ATOM 79 O LEU A 6 -3.930 -7.669 -1.649 1.00 0.00 O ATOM 80 CB LEU A 6 -2.195 -8.119 -4.682 1.00 0.00 C ATOM 81 CG LEU A 6 -2.354 -8.867 -6.006 1.00 0.00 C ATOM 82 CD1 LEU A 6 -1.313 -8.399 -7.012 1.00 0.00 C ATOM 83 CD2 LEU A 6 -2.249 -10.369 -5.786 1.00 0.00 C ATOM 0 H LEU A 6 -2.599 -5.791 -3.685 1.00 0.00 H new ATOM 0 HA LEU A 6 -4.338 -7.958 -4.626 1.00 0.00 H new ATOM 0 HB2 LEU A 6 -1.570 -7.243 -4.856 1.00 0.00 H new ATOM 0 HB3 LEU A 6 -1.656 -8.763 -3.987 1.00 0.00 H new ATOM 0 HG LEU A 6 -3.343 -8.648 -6.409 1.00 0.00 H new ATOM 0 HD11 LEU A 6 -1.442 -8.942 -7.948 1.00 0.00 H new ATOM 0 HD12 LEU A 6 -1.436 -7.331 -7.192 1.00 0.00 H new ATOM 0 HD13 LEU A 6 -0.315 -8.588 -6.617 1.00 0.00 H new ATOM 0 HD21 LEU A 6 -2.365 -10.885 -6.739 1.00 0.00 H new ATOM 0 HD22 LEU A 6 -1.274 -10.607 -5.360 1.00 0.00 H new ATOM 0 HD23 LEU A 6 -3.033 -10.692 -5.101 1.00 0.00 H new ATOM 95 N SER A 7 -3.410 -9.638 -2.606 1.00 0.00 N ATOM 96 CA SER A 7 -3.514 -10.394 -1.363 1.00 0.00 C ATOM 97 C SER A 7 -2.133 -10.809 -0.863 1.00 0.00 C ATOM 98 O SER A 7 -1.448 -11.634 -1.467 1.00 0.00 O ATOM 99 CB SER A 7 -4.388 -11.633 -1.567 1.00 0.00 C ATOM 100 OG SER A 7 -4.595 -12.318 -0.344 1.00 0.00 O ATOM 0 H SER A 7 -3.159 -10.198 -3.421 1.00 0.00 H new ATOM 0 HA SER A 7 -3.976 -9.752 -0.613 1.00 0.00 H new ATOM 0 HB2 SER A 7 -5.349 -11.339 -1.990 1.00 0.00 H new ATOM 0 HB3 SER A 7 -3.915 -12.301 -2.286 1.00 0.00 H new ATOM 0 HG SER A 7 -4.092 -13.159 -0.351 1.00 0.00 H new ATOM 106 N PRO A 8 -1.714 -10.222 0.268 1.00 0.00 N ATOM 107 CA PRO A 8 -0.413 -10.515 0.876 1.00 0.00 C ATOM 108 C PRO A 8 -0.351 -11.920 1.465 1.00 0.00 C ATOM 109 O PRO A 8 0.724 -12.414 1.805 1.00 0.00 O ATOM 110 CB PRO A 8 -0.295 -9.465 1.983 1.00 0.00 C ATOM 111 CG PRO A 8 -1.702 -9.112 2.323 1.00 0.00 C ATOM 112 CD PRO A 8 -2.479 -9.229 1.041 1.00 0.00 C ATOM 0 HA PRO A 8 0.396 -10.478 0.146 1.00 0.00 H new ATOM 0 HB2 PRO A 8 0.234 -9.861 2.850 1.00 0.00 H new ATOM 0 HB3 PRO A 8 0.261 -8.591 1.642 1.00 0.00 H new ATOM 0 HG2 PRO A 8 -2.100 -9.784 3.083 1.00 0.00 H new ATOM 0 HG3 PRO A 8 -1.764 -8.101 2.726 1.00 0.00 H new ATOM 0 HD2 PRO A 8 -3.502 -9.560 1.220 1.00 0.00 H new ATOM 0 HD3 PRO A 8 -2.540 -8.274 0.519 1.00 0.00 H new ATOM 120 N SER A 9 -1.510 -12.559 1.583 1.00 0.00 N ATOM 121 CA SER A 9 -1.588 -13.907 2.135 1.00 0.00 C ATOM 122 C SER A 9 -1.842 -14.931 1.033 1.00 0.00 C ATOM 123 O SER A 9 -2.326 -16.032 1.294 1.00 0.00 O ATOM 124 CB SER A 9 -2.695 -13.987 3.187 1.00 0.00 C ATOM 125 OG SER A 9 -2.515 -15.110 4.032 1.00 0.00 O ATOM 0 H SER A 9 -2.409 -12.165 1.304 1.00 0.00 H new ATOM 0 HA SER A 9 -0.632 -14.136 2.606 1.00 0.00 H new ATOM 0 HB2 SER A 9 -2.700 -13.075 3.785 1.00 0.00 H new ATOM 0 HB3 SER A 9 -3.665 -14.050 2.694 1.00 0.00 H new ATOM 0 HG SER A 9 -2.374 -15.911 3.486 1.00 0.00 H new ATOM 131 N ASP A 10 -1.512 -14.559 -0.199 1.00 0.00 N ATOM 132 CA ASP A 10 -1.704 -15.444 -1.342 1.00 0.00 C ATOM 133 C ASP A 10 -0.438 -15.519 -2.190 1.00 0.00 C ATOM 134 O ASP A 10 -0.108 -16.570 -2.740 1.00 0.00 O ATOM 135 CB ASP A 10 -2.878 -14.963 -2.196 1.00 0.00 C ATOM 136 CG ASP A 10 -4.214 -15.165 -1.510 1.00 0.00 C ATOM 137 OD1 ASP A 10 -4.302 -14.901 -0.293 1.00 0.00 O ATOM 138 OD2 ASP A 10 -5.173 -15.588 -2.190 1.00 0.00 O ATOM 0 H ASP A 10 -1.110 -13.651 -0.432 1.00 0.00 H new ATOM 0 HA ASP A 10 -1.926 -16.442 -0.964 1.00 0.00 H new ATOM 0 HB2 ASP A 10 -2.747 -13.906 -2.426 1.00 0.00 H new ATOM 0 HB3 ASP A 10 -2.876 -15.498 -3.146 1.00 0.00 H new ATOM 143 N ILE A 11 0.266 -14.396 -2.292 1.00 0.00 N ATOM 144 CA ILE A 11 1.495 -14.335 -3.073 1.00 0.00 C ATOM 145 C ILE A 11 2.550 -15.283 -2.514 1.00 0.00 C ATOM 146 O ILE A 11 3.377 -15.815 -3.255 1.00 0.00 O ATOM 147 CB ILE A 11 2.071 -12.907 -3.105 1.00 0.00 C ATOM 148 CG1 ILE A 11 1.059 -11.939 -3.722 1.00 0.00 C ATOM 149 CG2 ILE A 11 3.379 -12.880 -3.881 1.00 0.00 C ATOM 150 CD1 ILE A 11 1.142 -10.537 -3.159 1.00 0.00 C ATOM 0 H ILE A 11 0.006 -13.517 -1.844 1.00 0.00 H new ATOM 0 HA ILE A 11 1.239 -14.638 -4.088 1.00 0.00 H new ATOM 0 HB ILE A 11 2.272 -12.590 -2.082 1.00 0.00 H new ATOM 0 HG12 ILE A 11 1.217 -11.899 -4.800 1.00 0.00 H new ATOM 0 HG13 ILE A 11 0.053 -12.327 -3.562 1.00 0.00 H new ATOM 0 HG21 ILE A 11 3.773 -11.864 -3.894 1.00 0.00 H new ATOM 0 HG22 ILE A 11 4.100 -13.543 -3.402 1.00 0.00 H new ATOM 0 HG23 ILE A 11 3.202 -13.214 -4.903 1.00 0.00 H new ATOM 0 HD11 ILE A 11 0.396 -9.906 -3.642 1.00 0.00 H new ATOM 0 HD12 ILE A 11 0.954 -10.564 -2.086 1.00 0.00 H new ATOM 0 HD13 ILE A 11 2.136 -10.129 -3.343 1.00 0.00 H new ATOM 162 N ALA A 12 2.514 -15.493 -1.202 1.00 0.00 N ATOM 163 CA ALA A 12 3.464 -16.381 -0.544 1.00 0.00 C ATOM 164 C ALA A 12 3.207 -17.836 -0.921 1.00 0.00 C ATOM 165 O ALA A 12 4.140 -18.628 -1.048 1.00 0.00 O ATOM 166 CB ALA A 12 3.393 -16.205 0.966 1.00 0.00 C ATOM 0 H ALA A 12 1.837 -15.060 -0.574 1.00 0.00 H new ATOM 0 HA ALA A 12 4.466 -16.116 -0.883 1.00 0.00 H new ATOM 0 HB1 ALA A 12 4.108 -16.874 1.444 1.00 0.00 H new ATOM 0 HB2 ALA A 12 3.633 -15.174 1.224 1.00 0.00 H new ATOM 0 HB3 ALA A 12 2.387 -16.441 1.313 1.00 0.00 H new ATOM 172 N ALA A 13 1.936 -18.182 -1.097 1.00 0.00 N ATOM 173 CA ALA A 13 1.557 -19.541 -1.461 1.00 0.00 C ATOM 174 C ALA A 13 2.151 -19.935 -2.809 1.00 0.00 C ATOM 175 O ALA A 13 2.220 -21.116 -3.147 1.00 0.00 O ATOM 176 CB ALA A 13 0.042 -19.677 -1.490 1.00 0.00 C ATOM 0 H ALA A 13 1.151 -17.539 -0.993 1.00 0.00 H new ATOM 0 HA ALA A 13 1.957 -20.217 -0.706 1.00 0.00 H new ATOM 0 HB1 ALA A 13 -0.227 -20.697 -1.763 1.00 0.00 H new ATOM 0 HB2 ALA A 13 -0.363 -19.447 -0.505 1.00 0.00 H new ATOM 0 HB3 ALA A 13 -0.372 -18.984 -2.223 1.00 0.00 H new ATOM 182 N ALA A 14 2.578 -18.937 -3.576 1.00 0.00 N ATOM 183 CA ALA A 14 3.167 -19.179 -4.888 1.00 0.00 C ATOM 184 C ALA A 14 4.681 -19.002 -4.850 1.00 0.00 C ATOM 185 O ALA A 14 5.418 -19.730 -5.516 1.00 0.00 O ATOM 186 CB ALA A 14 2.550 -18.250 -5.923 1.00 0.00 C ATOM 0 H ALA A 14 2.527 -17.953 -3.312 1.00 0.00 H new ATOM 0 HA ALA A 14 2.955 -20.210 -5.170 1.00 0.00 H new ATOM 0 HB1 ALA A 14 2.999 -18.442 -6.898 1.00 0.00 H new ATOM 0 HB2 ALA A 14 1.476 -18.428 -5.977 1.00 0.00 H new ATOM 0 HB3 ALA A 14 2.732 -17.214 -5.637 1.00 0.00 H new ATOM 192 N LEU A 15 5.139 -18.030 -4.069 1.00 0.00 N ATOM 193 CA LEU A 15 6.567 -17.756 -3.945 1.00 0.00 C ATOM 194 C LEU A 15 7.312 -18.980 -3.422 1.00 0.00 C ATOM 195 O LEU A 15 8.499 -19.160 -3.696 1.00 0.00 O ATOM 196 CB LEU A 15 6.799 -16.566 -3.013 1.00 0.00 C ATOM 197 CG LEU A 15 6.494 -15.187 -3.596 1.00 0.00 C ATOM 198 CD1 LEU A 15 6.682 -14.107 -2.542 1.00 0.00 C ATOM 199 CD2 LEU A 15 7.375 -14.912 -4.806 1.00 0.00 C ATOM 0 H LEU A 15 4.543 -17.418 -3.512 1.00 0.00 H new ATOM 0 HA LEU A 15 6.953 -17.514 -4.935 1.00 0.00 H new ATOM 0 HB2 LEU A 15 6.188 -16.704 -2.121 1.00 0.00 H new ATOM 0 HB3 LEU A 15 7.840 -16.580 -2.691 1.00 0.00 H new ATOM 0 HG LEU A 15 5.453 -15.174 -3.919 1.00 0.00 H new ATOM 0 HD11 LEU A 15 6.460 -13.132 -2.976 1.00 0.00 H new ATOM 0 HD12 LEU A 15 6.008 -14.294 -1.706 1.00 0.00 H new ATOM 0 HD13 LEU A 15 7.713 -14.120 -2.187 1.00 0.00 H new ATOM 0 HD21 LEU A 15 7.144 -13.926 -5.208 1.00 0.00 H new ATOM 0 HD22 LEU A 15 8.423 -14.946 -4.508 1.00 0.00 H new ATOM 0 HD23 LEU A 15 7.190 -15.667 -5.570 1.00 0.00 H new ATOM 211 N ARG A 16 6.608 -19.820 -2.671 1.00 0.00 N ATOM 212 CA ARG A 16 7.203 -21.027 -2.111 1.00 0.00 C ATOM 213 C ARG A 16 6.882 -22.243 -2.976 1.00 0.00 C ATOM 214 O ARG A 16 7.778 -22.988 -3.373 1.00 0.00 O ATOM 215 CB ARG A 16 6.698 -21.256 -0.685 1.00 0.00 C ATOM 216 CG ARG A 16 7.772 -21.755 0.268 1.00 0.00 C ATOM 217 CD ARG A 16 8.331 -23.097 -0.177 1.00 0.00 C ATOM 218 NE ARG A 16 8.392 -24.057 0.923 1.00 0.00 N ATOM 219 CZ ARG A 16 7.318 -24.619 1.467 1.00 0.00 C ATOM 220 NH1 ARG A 16 6.108 -24.320 1.015 1.00 0.00 N ATOM 221 NH2 ARG A 16 7.454 -25.483 2.464 1.00 0.00 N ATOM 0 H ARG A 16 5.624 -19.687 -2.436 1.00 0.00 H new ATOM 0 HA ARG A 16 8.284 -20.892 -2.089 1.00 0.00 H new ATOM 0 HB2 ARG A 16 6.287 -20.323 -0.300 1.00 0.00 H new ATOM 0 HB3 ARG A 16 5.882 -21.978 -0.709 1.00 0.00 H new ATOM 0 HG2 ARG A 16 8.579 -21.024 0.324 1.00 0.00 H new ATOM 0 HG3 ARG A 16 7.356 -21.848 1.271 1.00 0.00 H new ATOM 0 HD2 ARG A 16 7.710 -23.501 -0.977 1.00 0.00 H new ATOM 0 HD3 ARG A 16 9.330 -22.955 -0.590 1.00 0.00 H new ATOM 0 HE ARG A 16 9.308 -24.309 1.293 1.00 0.00 H new ATOM 0 HH11 ARG A 16 6.000 -23.657 0.248 1.00 0.00 H new ATOM 0 HH12 ARG A 16 5.285 -24.753 1.435 1.00 0.00 H new ATOM 0 HH21 ARG A 16 8.383 -25.716 2.813 1.00 0.00 H new ATOM 0 HH22 ARG A 16 6.629 -25.914 2.881 1.00 0.00 H new ATOM 235 N ASP A 17 5.600 -22.436 -3.264 1.00 0.00 N ATOM 236 CA ASP A 17 5.161 -23.561 -4.082 1.00 0.00 C ATOM 237 C ASP A 17 5.893 -23.577 -5.420 1.00 0.00 C ATOM 238 O ASP A 17 6.294 -24.635 -5.906 1.00 0.00 O ATOM 239 CB ASP A 17 3.650 -23.492 -4.313 1.00 0.00 C ATOM 240 CG ASP A 17 3.077 -24.812 -4.788 1.00 0.00 C ATOM 241 OD1 ASP A 17 3.102 -25.785 -4.007 1.00 0.00 O ATOM 242 OD2 ASP A 17 2.603 -24.872 -5.943 1.00 0.00 O ATOM 0 H ASP A 17 4.846 -21.828 -2.943 1.00 0.00 H new ATOM 0 HA ASP A 17 5.397 -24.482 -3.548 1.00 0.00 H new ATOM 0 HB2 ASP A 17 3.157 -23.197 -3.387 1.00 0.00 H new ATOM 0 HB3 ASP A 17 3.433 -22.719 -5.050 1.00 0.00 H new ATOM 247 N CYS A 18 6.062 -22.399 -6.011 1.00 0.00 N ATOM 248 CA CYS A 18 6.744 -22.279 -7.294 1.00 0.00 C ATOM 249 C CYS A 18 8.201 -21.874 -7.100 1.00 0.00 C ATOM 250 O CYS A 18 8.828 -21.325 -8.005 1.00 0.00 O ATOM 251 CB CYS A 18 6.031 -21.255 -8.180 1.00 0.00 C ATOM 252 SG CYS A 18 4.308 -21.665 -8.541 1.00 0.00 S ATOM 0 H CYS A 18 5.736 -21.514 -5.622 1.00 0.00 H new ATOM 0 HA CYS A 18 6.719 -23.253 -7.783 1.00 0.00 H new ATOM 0 HB2 CYS A 18 6.067 -20.281 -7.692 1.00 0.00 H new ATOM 0 HB3 CYS A 18 6.576 -21.162 -9.120 1.00 0.00 H new ATOM 0 HG CYS A 18 3.790 -20.740 -9.294 1.00 0.00 H new ATOM 258 N GLN A 19 8.732 -22.147 -5.912 1.00 0.00 N ATOM 259 CA GLN A 19 10.116 -21.808 -5.599 1.00 0.00 C ATOM 260 C GLN A 19 11.073 -22.452 -6.596 1.00 0.00 C ATOM 261 O GLN A 19 12.139 -21.910 -6.887 1.00 0.00 O ATOM 262 CB GLN A 19 10.463 -22.257 -4.178 1.00 0.00 C ATOM 263 CG GLN A 19 11.872 -21.882 -3.749 1.00 0.00 C ATOM 264 CD GLN A 19 12.074 -21.989 -2.251 1.00 0.00 C ATOM 265 OE1 GLN A 19 12.928 -22.742 -1.780 1.00 0.00 O ATOM 266 NE2 GLN A 19 11.288 -21.235 -1.491 1.00 0.00 N ATOM 0 H GLN A 19 8.226 -22.601 -5.152 1.00 0.00 H new ATOM 0 HA GLN A 19 10.224 -20.726 -5.668 1.00 0.00 H new ATOM 0 HB2 GLN A 19 9.750 -21.815 -3.482 1.00 0.00 H new ATOM 0 HB3 GLN A 19 10.347 -23.339 -4.109 1.00 0.00 H new ATOM 0 HG2 GLN A 19 12.587 -22.531 -4.255 1.00 0.00 H new ATOM 0 HG3 GLN A 19 12.086 -20.862 -4.069 1.00 0.00 H new ATOM 0 HE21 GLN A 19 10.594 -20.625 -1.923 1.00 0.00 H new ATOM 0 HE22 GLN A 19 11.379 -21.266 -0.476 1.00 0.00 H new ATOM 275 N ALA A 20 10.686 -23.612 -7.117 1.00 0.00 N ATOM 276 CA ALA A 20 11.509 -24.328 -8.083 1.00 0.00 C ATOM 277 C ALA A 20 11.863 -23.439 -9.270 1.00 0.00 C ATOM 278 O ALA A 20 11.221 -22.419 -9.525 1.00 0.00 O ATOM 279 CB ALA A 20 10.794 -25.585 -8.557 1.00 0.00 C ATOM 0 H ALA A 20 9.807 -24.076 -6.886 1.00 0.00 H new ATOM 0 HA ALA A 20 12.437 -24.615 -7.589 1.00 0.00 H new ATOM 0 HB1 ALA A 20 11.420 -26.110 -9.278 1.00 0.00 H new ATOM 0 HB2 ALA A 20 10.599 -26.236 -7.705 1.00 0.00 H new ATOM 0 HB3 ALA A 20 9.850 -25.311 -9.028 1.00 0.00 H new ATOM 285 N PRO A 21 12.908 -23.831 -10.013 1.00 0.00 N ATOM 286 CA PRO A 21 13.371 -23.082 -11.186 1.00 0.00 C ATOM 287 C PRO A 21 12.388 -23.161 -12.349 1.00 0.00 C ATOM 288 O PRO A 21 11.826 -24.221 -12.627 1.00 0.00 O ATOM 289 CB PRO A 21 14.688 -23.771 -11.550 1.00 0.00 C ATOM 290 CG PRO A 21 14.553 -25.154 -11.013 1.00 0.00 C ATOM 291 CD PRO A 21 13.719 -25.035 -9.767 1.00 0.00 C ATOM 0 HA PRO A 21 13.476 -22.018 -10.975 1.00 0.00 H new ATOM 0 HB2 PRO A 21 14.846 -23.779 -12.628 1.00 0.00 H new ATOM 0 HB3 PRO A 21 15.540 -23.256 -11.107 1.00 0.00 H new ATOM 0 HG2 PRO A 21 14.076 -25.810 -11.741 1.00 0.00 H new ATOM 0 HG3 PRO A 21 15.530 -25.583 -10.789 1.00 0.00 H new ATOM 0 HD2 PRO A 21 13.095 -25.916 -9.616 1.00 0.00 H new ATOM 0 HD3 PRO A 21 14.339 -24.927 -8.877 1.00 0.00 H new ATOM 299 N ASP A 22 12.186 -22.036 -13.025 1.00 0.00 N ATOM 300 CA ASP A 22 11.272 -21.979 -14.160 1.00 0.00 C ATOM 301 C ASP A 22 9.897 -22.518 -13.777 1.00 0.00 C ATOM 302 O ASP A 22 9.164 -23.031 -14.622 1.00 0.00 O ATOM 303 CB ASP A 22 11.837 -22.775 -15.337 1.00 0.00 C ATOM 304 CG ASP A 22 11.132 -22.458 -16.642 1.00 0.00 C ATOM 305 OD1 ASP A 22 10.664 -21.311 -16.799 1.00 0.00 O ATOM 306 OD2 ASP A 22 11.051 -23.356 -17.505 1.00 0.00 O ATOM 0 H ASP A 22 12.643 -21.151 -12.807 1.00 0.00 H new ATOM 0 HA ASP A 22 11.163 -20.936 -14.457 1.00 0.00 H new ATOM 0 HB2 ASP A 22 12.901 -22.560 -15.440 1.00 0.00 H new ATOM 0 HB3 ASP A 22 11.746 -23.841 -15.128 1.00 0.00 H new ATOM 311 N SER A 23 9.554 -22.398 -12.499 1.00 0.00 N ATOM 312 CA SER A 23 8.269 -22.877 -12.003 1.00 0.00 C ATOM 313 C SER A 23 7.358 -21.709 -11.639 1.00 0.00 C ATOM 314 O SER A 23 6.134 -21.840 -11.635 1.00 0.00 O ATOM 315 CB SER A 23 8.473 -23.780 -10.785 1.00 0.00 C ATOM 316 OG SER A 23 8.938 -25.061 -11.172 1.00 0.00 O ATOM 0 H SER A 23 10.148 -21.973 -11.787 1.00 0.00 H new ATOM 0 HA SER A 23 7.792 -23.453 -12.796 1.00 0.00 H new ATOM 0 HB2 SER A 23 9.189 -23.320 -10.104 1.00 0.00 H new ATOM 0 HB3 SER A 23 7.534 -23.880 -10.241 1.00 0.00 H new ATOM 0 HG SER A 23 9.816 -24.975 -11.598 1.00 0.00 H new ATOM 322 N PHE A 24 7.964 -20.567 -11.332 1.00 0.00 N ATOM 323 CA PHE A 24 7.208 -19.375 -10.964 1.00 0.00 C ATOM 324 C PHE A 24 7.002 -18.468 -12.174 1.00 0.00 C ATOM 325 O PHE A 24 7.800 -17.566 -12.430 1.00 0.00 O ATOM 326 CB PHE A 24 7.932 -18.609 -9.855 1.00 0.00 C ATOM 327 CG PHE A 24 7.352 -17.249 -9.590 1.00 0.00 C ATOM 328 CD1 PHE A 24 5.991 -17.090 -9.384 1.00 0.00 C ATOM 329 CD2 PHE A 24 8.168 -16.130 -9.547 1.00 0.00 C ATOM 330 CE1 PHE A 24 5.454 -15.840 -9.139 1.00 0.00 C ATOM 331 CE2 PHE A 24 7.637 -14.877 -9.302 1.00 0.00 C ATOM 332 CZ PHE A 24 6.278 -14.732 -9.099 1.00 0.00 C ATOM 0 H PHE A 24 8.976 -20.442 -11.331 1.00 0.00 H new ATOM 0 HA PHE A 24 6.231 -19.692 -10.599 1.00 0.00 H new ATOM 0 HB2 PHE A 24 7.897 -19.195 -8.937 1.00 0.00 H new ATOM 0 HB3 PHE A 24 8.983 -18.501 -10.125 1.00 0.00 H new ATOM 0 HD1 PHE A 24 5.342 -17.953 -9.415 1.00 0.00 H new ATOM 0 HD2 PHE A 24 9.231 -16.238 -9.707 1.00 0.00 H new ATOM 0 HE1 PHE A 24 4.392 -15.730 -8.979 1.00 0.00 H new ATOM 0 HE2 PHE A 24 8.284 -14.013 -9.269 1.00 0.00 H new ATOM 0 HZ PHE A 24 5.861 -13.754 -8.909 1.00 0.00 H new ATOM 342 N SER A 25 5.926 -18.714 -12.914 1.00 0.00 N ATOM 343 CA SER A 25 5.615 -17.923 -14.099 1.00 0.00 C ATOM 344 C SER A 25 4.633 -16.805 -13.764 1.00 0.00 C ATOM 345 O SER A 25 3.920 -16.850 -12.761 1.00 0.00 O ATOM 346 CB SER A 25 5.034 -18.816 -15.196 1.00 0.00 C ATOM 347 OG SER A 25 6.060 -19.359 -16.009 1.00 0.00 O ATOM 0 H SER A 25 5.254 -19.455 -12.714 1.00 0.00 H new ATOM 0 HA SER A 25 6.541 -17.474 -14.459 1.00 0.00 H new ATOM 0 HB2 SER A 25 4.458 -19.624 -14.745 1.00 0.00 H new ATOM 0 HB3 SER A 25 4.345 -18.239 -15.812 1.00 0.00 H new ATOM 0 HG SER A 25 5.662 -19.927 -16.701 1.00 0.00 H new ATOM 353 N PRO A 26 4.595 -15.775 -14.622 1.00 0.00 N ATOM 354 CA PRO A 26 3.704 -14.625 -14.440 1.00 0.00 C ATOM 355 C PRO A 26 2.239 -14.987 -14.656 1.00 0.00 C ATOM 356 O PRO A 26 1.360 -14.519 -13.931 1.00 0.00 O ATOM 357 CB PRO A 26 4.175 -13.638 -15.512 1.00 0.00 C ATOM 358 CG PRO A 26 4.800 -14.490 -16.562 1.00 0.00 C ATOM 359 CD PRO A 26 5.417 -15.654 -15.838 1.00 0.00 C ATOM 0 HA PRO A 26 3.752 -14.229 -13.426 1.00 0.00 H new ATOM 0 HB2 PRO A 26 3.341 -13.062 -15.914 1.00 0.00 H new ATOM 0 HB3 PRO A 26 4.890 -12.923 -15.105 1.00 0.00 H new ATOM 0 HG2 PRO A 26 4.056 -14.829 -17.283 1.00 0.00 H new ATOM 0 HG3 PRO A 26 5.554 -13.933 -17.119 1.00 0.00 H new ATOM 0 HD2 PRO A 26 5.383 -16.564 -16.438 1.00 0.00 H new ATOM 0 HD3 PRO A 26 6.464 -15.469 -15.598 1.00 0.00 H new ATOM 367 N LYS A 27 1.981 -15.822 -15.656 1.00 0.00 N ATOM 368 CA LYS A 27 0.622 -16.249 -15.967 1.00 0.00 C ATOM 369 C LYS A 27 0.271 -17.533 -15.222 1.00 0.00 C ATOM 370 O LYS A 27 -0.436 -18.394 -15.747 1.00 0.00 O ATOM 371 CB LYS A 27 0.465 -16.462 -17.474 1.00 0.00 C ATOM 372 CG LYS A 27 1.359 -17.556 -18.031 1.00 0.00 C ATOM 373 CD LYS A 27 1.604 -17.373 -19.519 1.00 0.00 C ATOM 374 CE LYS A 27 2.769 -18.224 -20.001 1.00 0.00 C ATOM 375 NZ LYS A 27 4.082 -17.629 -19.628 1.00 0.00 N ATOM 0 H LYS A 27 2.696 -16.217 -16.266 1.00 0.00 H new ATOM 0 HA LYS A 27 -0.062 -15.464 -15.644 1.00 0.00 H new ATOM 0 HB2 LYS A 27 -0.574 -16.708 -17.691 1.00 0.00 H new ATOM 0 HB3 LYS A 27 0.685 -15.527 -17.989 1.00 0.00 H new ATOM 0 HG2 LYS A 27 2.312 -17.553 -17.502 1.00 0.00 H new ATOM 0 HG3 LYS A 27 0.899 -18.528 -17.854 1.00 0.00 H new ATOM 0 HD2 LYS A 27 0.704 -17.640 -20.073 1.00 0.00 H new ATOM 0 HD3 LYS A 27 1.808 -16.323 -19.729 1.00 0.00 H new ATOM 0 HE2 LYS A 27 2.689 -19.224 -19.575 1.00 0.00 H new ATOM 0 HE3 LYS A 27 2.715 -18.334 -21.084 1.00 0.00 H new ATOM 0 HZ1 LYS A 27 4.806 -17.931 -20.311 1.00 0.00 H new ATOM 0 HZ2 LYS A 27 4.008 -16.592 -19.637 1.00 0.00 H new ATOM 0 HZ3 LYS A 27 4.350 -17.948 -18.675 1.00 0.00 H new ATOM 389 N LYS A 28 0.768 -17.655 -13.996 1.00 0.00 N ATOM 390 CA LYS A 28 0.505 -18.832 -13.177 1.00 0.00 C ATOM 391 C LYS A 28 0.153 -18.433 -11.748 1.00 0.00 C ATOM 392 O LYS A 28 -0.742 -19.014 -11.133 1.00 0.00 O ATOM 393 CB LYS A 28 1.724 -19.759 -13.173 1.00 0.00 C ATOM 394 CG LYS A 28 1.766 -20.712 -14.355 1.00 0.00 C ATOM 395 CD LYS A 28 0.734 -21.819 -14.216 1.00 0.00 C ATOM 396 CE LYS A 28 1.053 -22.734 -13.044 1.00 0.00 C ATOM 397 NZ LYS A 28 0.463 -24.090 -13.223 1.00 0.00 N ATOM 0 H LYS A 28 1.356 -16.952 -13.547 1.00 0.00 H new ATOM 0 HA LYS A 28 -0.345 -19.361 -13.608 1.00 0.00 H new ATOM 0 HB2 LYS A 28 2.630 -19.154 -13.172 1.00 0.00 H new ATOM 0 HB3 LYS A 28 1.727 -20.338 -12.250 1.00 0.00 H new ATOM 0 HG2 LYS A 28 1.585 -20.158 -15.276 1.00 0.00 H new ATOM 0 HG3 LYS A 28 2.761 -21.149 -14.436 1.00 0.00 H new ATOM 0 HD2 LYS A 28 -0.255 -21.381 -14.079 1.00 0.00 H new ATOM 0 HD3 LYS A 28 0.699 -22.403 -15.136 1.00 0.00 H new ATOM 0 HE2 LYS A 28 2.134 -22.820 -12.934 1.00 0.00 H new ATOM 0 HE3 LYS A 28 0.673 -22.291 -12.123 1.00 0.00 H new ATOM 0 HZ1 LYS A 28 0.703 -24.684 -12.404 1.00 0.00 H new ATOM 0 HZ2 LYS A 28 -0.571 -24.011 -13.303 1.00 0.00 H new ATOM 0 HZ3 LYS A 28 0.845 -24.523 -14.088 1.00 0.00 H new ATOM 411 N PHE A 29 0.861 -17.438 -11.225 1.00 0.00 N ATOM 412 CA PHE A 29 0.622 -16.960 -9.867 1.00 0.00 C ATOM 413 C PHE A 29 -0.530 -15.960 -9.837 1.00 0.00 C ATOM 414 O PHE A 29 -1.136 -15.725 -8.792 1.00 0.00 O ATOM 415 CB PHE A 29 1.888 -16.314 -9.301 1.00 0.00 C ATOM 416 CG PHE A 29 2.037 -14.865 -9.668 1.00 0.00 C ATOM 417 CD1 PHE A 29 2.427 -14.497 -10.946 1.00 0.00 C ATOM 418 CD2 PHE A 29 1.787 -13.872 -8.736 1.00 0.00 C ATOM 419 CE1 PHE A 29 2.566 -13.165 -11.286 1.00 0.00 C ATOM 420 CE2 PHE A 29 1.924 -12.537 -9.070 1.00 0.00 C ATOM 421 CZ PHE A 29 2.313 -12.184 -10.347 1.00 0.00 C ATOM 0 H PHE A 29 1.605 -16.946 -11.720 1.00 0.00 H new ATOM 0 HA PHE A 29 0.352 -17.817 -9.249 1.00 0.00 H new ATOM 0 HB2 PHE A 29 1.879 -16.406 -8.215 1.00 0.00 H new ATOM 0 HB3 PHE A 29 2.758 -16.863 -9.660 1.00 0.00 H new ATOM 0 HD1 PHE A 29 2.624 -15.260 -11.684 1.00 0.00 H new ATOM 0 HD2 PHE A 29 1.481 -14.143 -7.736 1.00 0.00 H new ATOM 0 HE1 PHE A 29 2.872 -12.891 -12.285 1.00 0.00 H new ATOM 0 HE2 PHE A 29 1.727 -11.772 -8.333 1.00 0.00 H new ATOM 0 HZ PHE A 29 2.419 -11.142 -10.611 1.00 0.00 H new ATOM 431 N PHE A 30 -0.826 -15.374 -10.992 1.00 0.00 N ATOM 432 CA PHE A 30 -1.904 -14.397 -11.100 1.00 0.00 C ATOM 433 C PHE A 30 -3.198 -14.948 -10.506 1.00 0.00 C ATOM 434 O PHE A 30 -4.008 -14.202 -9.957 1.00 0.00 O ATOM 435 CB PHE A 30 -2.126 -14.009 -12.563 1.00 0.00 C ATOM 436 CG PHE A 30 -2.841 -15.062 -13.361 1.00 0.00 C ATOM 437 CD1 PHE A 30 -2.229 -16.274 -13.639 1.00 0.00 C ATOM 438 CD2 PHE A 30 -4.124 -14.839 -13.834 1.00 0.00 C ATOM 439 CE1 PHE A 30 -2.884 -17.245 -14.373 1.00 0.00 C ATOM 440 CE2 PHE A 30 -4.784 -15.807 -14.567 1.00 0.00 C ATOM 441 CZ PHE A 30 -4.163 -17.010 -14.838 1.00 0.00 C ATOM 0 H PHE A 30 -0.335 -15.558 -11.867 1.00 0.00 H new ATOM 0 HA PHE A 30 -1.614 -13.510 -10.537 1.00 0.00 H new ATOM 0 HB2 PHE A 30 -2.700 -13.083 -12.602 1.00 0.00 H new ATOM 0 HB3 PHE A 30 -1.161 -13.806 -13.027 1.00 0.00 H new ATOM 0 HD1 PHE A 30 -1.229 -16.462 -13.278 1.00 0.00 H new ATOM 0 HD2 PHE A 30 -4.614 -13.899 -13.628 1.00 0.00 H new ATOM 0 HE1 PHE A 30 -2.396 -18.186 -14.582 1.00 0.00 H new ATOM 0 HE2 PHE A 30 -5.785 -15.623 -14.928 1.00 0.00 H new ATOM 0 HZ PHE A 30 -4.677 -17.766 -15.413 1.00 0.00 H new ATOM 451 N GLN A 31 -3.384 -16.259 -10.623 1.00 0.00 N ATOM 452 CA GLN A 31 -4.579 -16.910 -10.099 1.00 0.00 C ATOM 453 C GLN A 31 -4.426 -17.217 -8.613 1.00 0.00 C ATOM 454 O GLN A 31 -5.410 -17.266 -7.875 1.00 0.00 O ATOM 455 CB GLN A 31 -4.863 -18.200 -10.871 1.00 0.00 C ATOM 456 CG GLN A 31 -4.048 -19.389 -10.390 1.00 0.00 C ATOM 457 CD GLN A 31 -3.912 -20.469 -11.445 1.00 0.00 C ATOM 458 OE1 GLN A 31 -4.907 -20.955 -11.984 1.00 0.00 O ATOM 459 NE2 GLN A 31 -2.677 -20.851 -11.746 1.00 0.00 N ATOM 0 H GLN A 31 -2.723 -16.891 -11.076 1.00 0.00 H new ATOM 0 HA GLN A 31 -5.418 -16.226 -10.225 1.00 0.00 H new ATOM 0 HB2 GLN A 31 -5.923 -18.439 -10.786 1.00 0.00 H new ATOM 0 HB3 GLN A 31 -4.658 -18.033 -11.928 1.00 0.00 H new ATOM 0 HG2 GLN A 31 -3.056 -19.049 -10.094 1.00 0.00 H new ATOM 0 HG3 GLN A 31 -4.518 -19.811 -9.502 1.00 0.00 H new ATOM 0 HE21 GLN A 31 -1.881 -20.421 -11.275 1.00 0.00 H new ATOM 0 HE22 GLN A 31 -2.524 -21.574 -12.449 1.00 0.00 H new ATOM 468 N ILE A 32 -3.186 -17.422 -8.181 1.00 0.00 N ATOM 469 CA ILE A 32 -2.904 -17.722 -6.783 1.00 0.00 C ATOM 470 C ILE A 32 -2.933 -16.458 -5.932 1.00 0.00 C ATOM 471 O ILE A 32 -3.790 -16.302 -5.062 1.00 0.00 O ATOM 472 CB ILE A 32 -1.534 -18.407 -6.620 1.00 0.00 C ATOM 473 CG1 ILE A 32 -1.499 -19.721 -7.403 1.00 0.00 C ATOM 474 CG2 ILE A 32 -1.238 -18.653 -5.148 1.00 0.00 C ATOM 475 CD1 ILE A 32 -0.147 -20.027 -8.009 1.00 0.00 C ATOM 0 H ILE A 32 -2.361 -17.386 -8.779 1.00 0.00 H new ATOM 0 HA ILE A 32 -3.684 -18.403 -6.443 1.00 0.00 H new ATOM 0 HB ILE A 32 -0.764 -17.747 -7.021 1.00 0.00 H new ATOM 0 HG12 ILE A 32 -1.784 -20.538 -6.740 1.00 0.00 H new ATOM 0 HG13 ILE A 32 -2.244 -19.681 -8.198 1.00 0.00 H new ATOM 0 HG21 ILE A 32 -0.267 -19.138 -5.048 1.00 0.00 H new ATOM 0 HG22 ILE A 32 -1.225 -17.702 -4.616 1.00 0.00 H new ATOM 0 HG23 ILE A 32 -2.009 -19.296 -4.724 1.00 0.00 H new ATOM 0 HD11 ILE A 32 -0.196 -20.973 -8.549 1.00 0.00 H new ATOM 0 HD12 ILE A 32 0.132 -19.230 -8.698 1.00 0.00 H new ATOM 0 HD13 ILE A 32 0.599 -20.100 -7.217 1.00 0.00 H new ATOM 487 N SER A 33 -1.993 -15.555 -6.191 1.00 0.00 N ATOM 488 CA SER A 33 -1.909 -14.304 -5.447 1.00 0.00 C ATOM 489 C SER A 33 -3.255 -13.585 -5.439 1.00 0.00 C ATOM 490 O SER A 33 -3.816 -13.307 -4.381 1.00 0.00 O ATOM 491 CB SER A 33 -0.837 -13.396 -6.054 1.00 0.00 C ATOM 492 OG SER A 33 -1.143 -13.074 -7.399 1.00 0.00 O ATOM 0 H SER A 33 -1.279 -15.666 -6.911 1.00 0.00 H new ATOM 0 HA SER A 33 -1.636 -14.539 -4.418 1.00 0.00 H new ATOM 0 HB2 SER A 33 -0.756 -12.481 -5.467 1.00 0.00 H new ATOM 0 HB3 SER A 33 0.133 -13.891 -6.007 1.00 0.00 H new ATOM 0 HG SER A 33 -0.348 -13.206 -7.956 1.00 0.00 H new ATOM 498 N GLY A 34 -3.766 -13.287 -6.630 1.00 0.00 N ATOM 499 CA GLY A 34 -5.042 -12.604 -6.739 1.00 0.00 C ATOM 500 C GLY A 34 -5.010 -11.474 -7.749 1.00 0.00 C ATOM 501 O GLY A 34 -5.543 -10.394 -7.499 1.00 0.00 O ATOM 0 H GLY A 34 -3.319 -13.506 -7.520 1.00 0.00 H new ATOM 0 HA2 GLY A 34 -5.811 -13.321 -7.025 1.00 0.00 H new ATOM 0 HA3 GLY A 34 -5.323 -12.207 -5.763 1.00 0.00 H new ATOM 505 N MET A 35 -4.381 -11.724 -8.893 1.00 0.00 N ATOM 506 CA MET A 35 -4.282 -10.718 -9.945 1.00 0.00 C ATOM 507 C MET A 35 -5.382 -10.908 -10.985 1.00 0.00 C ATOM 508 O MET A 35 -5.839 -9.946 -11.601 1.00 0.00 O ATOM 509 CB MET A 35 -2.910 -10.789 -10.619 1.00 0.00 C ATOM 510 CG MET A 35 -1.835 -9.997 -9.892 1.00 0.00 C ATOM 511 SD MET A 35 -0.808 -9.028 -11.013 1.00 0.00 S ATOM 512 CE MET A 35 0.000 -10.328 -11.943 1.00 0.00 C ATOM 0 H MET A 35 -3.933 -12.613 -9.115 1.00 0.00 H new ATOM 0 HA MET A 35 -4.405 -9.736 -9.487 1.00 0.00 H new ATOM 0 HB2 MET A 35 -2.600 -11.832 -10.685 1.00 0.00 H new ATOM 0 HB3 MET A 35 -2.996 -10.417 -11.640 1.00 0.00 H new ATOM 0 HG2 MET A 35 -2.306 -9.330 -9.170 1.00 0.00 H new ATOM 0 HG3 MET A 35 -1.203 -10.683 -9.328 1.00 0.00 H new ATOM 0 HE1 MET A 35 1.073 -10.141 -11.973 1.00 0.00 H new ATOM 0 HE2 MET A 35 -0.187 -11.289 -11.464 1.00 0.00 H new ATOM 0 HE3 MET A 35 -0.394 -10.347 -12.959 1.00 0.00 H new ATOM 522 N SER A 36 -5.802 -12.155 -11.175 1.00 0.00 N ATOM 523 CA SER A 36 -6.845 -12.471 -12.143 1.00 0.00 C ATOM 524 C SER A 36 -8.088 -11.620 -11.899 1.00 0.00 C ATOM 525 O SER A 36 -8.801 -11.258 -12.836 1.00 0.00 O ATOM 526 CB SER A 36 -7.207 -13.955 -12.068 1.00 0.00 C ATOM 527 OG SER A 36 -7.735 -14.414 -13.301 1.00 0.00 O ATOM 0 H SER A 36 -5.436 -12.963 -10.671 1.00 0.00 H new ATOM 0 HA SER A 36 -6.462 -12.248 -13.139 1.00 0.00 H new ATOM 0 HB2 SER A 36 -6.322 -14.536 -11.809 1.00 0.00 H new ATOM 0 HB3 SER A 36 -7.937 -14.115 -11.274 1.00 0.00 H new ATOM 0 HG SER A 36 -7.957 -15.366 -13.228 1.00 0.00 H new ATOM 533 N LYS A 37 -8.342 -11.304 -10.634 1.00 0.00 N ATOM 534 CA LYS A 37 -9.497 -10.494 -10.264 1.00 0.00 C ATOM 535 C LYS A 37 -9.374 -9.082 -10.825 1.00 0.00 C ATOM 536 O LYS A 37 -10.376 -8.416 -11.086 1.00 0.00 O ATOM 537 CB LYS A 37 -9.640 -10.439 -8.741 1.00 0.00 C ATOM 538 CG LYS A 37 -9.989 -11.777 -8.114 1.00 0.00 C ATOM 539 CD LYS A 37 -10.867 -11.605 -6.885 1.00 0.00 C ATOM 540 CE LYS A 37 -10.106 -10.946 -5.745 1.00 0.00 C ATOM 541 NZ LYS A 37 -10.977 -10.707 -4.562 1.00 0.00 N ATOM 0 H LYS A 37 -7.763 -11.597 -9.847 1.00 0.00 H new ATOM 0 HA LYS A 37 -10.386 -10.958 -10.690 1.00 0.00 H new ATOM 0 HB2 LYS A 37 -8.706 -10.078 -8.310 1.00 0.00 H new ATOM 0 HB3 LYS A 37 -10.412 -9.714 -8.483 1.00 0.00 H new ATOM 0 HG2 LYS A 37 -10.504 -12.400 -8.846 1.00 0.00 H new ATOM 0 HG3 LYS A 37 -9.074 -12.300 -7.838 1.00 0.00 H new ATOM 0 HD2 LYS A 37 -11.738 -11.001 -7.140 1.00 0.00 H new ATOM 0 HD3 LYS A 37 -11.238 -12.578 -6.562 1.00 0.00 H new ATOM 0 HE2 LYS A 37 -9.266 -11.578 -5.456 1.00 0.00 H new ATOM 0 HE3 LYS A 37 -9.689 -9.998 -6.086 1.00 0.00 H new ATOM 0 HZ1 LYS A 37 -10.421 -10.257 -3.807 1.00 0.00 H new ATOM 0 HZ2 LYS A 37 -11.765 -10.083 -4.831 1.00 0.00 H new ATOM 0 HZ3 LYS A 37 -11.355 -11.614 -4.220 1.00 0.00 H new ATOM 555 N LYS A 38 -8.138 -8.629 -11.011 1.00 0.00 N ATOM 556 CA LYS A 38 -7.883 -7.296 -11.544 1.00 0.00 C ATOM 557 C LYS A 38 -8.524 -7.128 -12.918 1.00 0.00 C ATOM 558 O LYS A 38 -9.259 -8.000 -13.381 1.00 0.00 O ATOM 559 CB LYS A 38 -6.377 -7.042 -11.637 1.00 0.00 C ATOM 560 CG LYS A 38 -5.644 -7.235 -10.321 1.00 0.00 C ATOM 561 CD LYS A 38 -6.300 -6.450 -9.197 1.00 0.00 C ATOM 562 CE LYS A 38 -7.080 -7.361 -8.261 1.00 0.00 C ATOM 563 NZ LYS A 38 -6.687 -7.162 -6.839 1.00 0.00 N ATOM 0 H LYS A 38 -7.297 -9.166 -10.800 1.00 0.00 H new ATOM 0 HA LYS A 38 -8.327 -6.568 -10.864 1.00 0.00 H new ATOM 0 HB2 LYS A 38 -5.950 -7.712 -12.383 1.00 0.00 H new ATOM 0 HB3 LYS A 38 -6.210 -6.024 -11.990 1.00 0.00 H new ATOM 0 HG2 LYS A 38 -5.627 -8.294 -10.065 1.00 0.00 H new ATOM 0 HG3 LYS A 38 -4.607 -6.917 -10.431 1.00 0.00 H new ATOM 0 HD2 LYS A 38 -5.537 -5.914 -8.632 1.00 0.00 H new ATOM 0 HD3 LYS A 38 -6.970 -5.700 -9.618 1.00 0.00 H new ATOM 0 HE2 LYS A 38 -8.147 -7.169 -8.373 1.00 0.00 H new ATOM 0 HE3 LYS A 38 -6.912 -8.401 -8.542 1.00 0.00 H new ATOM 0 HZ1 LYS A 38 -7.241 -7.801 -6.233 1.00 0.00 H new ATOM 0 HZ2 LYS A 38 -5.674 -7.370 -6.726 1.00 0.00 H new ATOM 0 HZ3 LYS A 38 -6.871 -6.176 -6.563 1.00 0.00 H new ATOM 577 N SER A 39 -8.238 -6.003 -13.565 1.00 0.00 N ATOM 578 CA SER A 39 -8.789 -5.720 -14.886 1.00 0.00 C ATOM 579 C SER A 39 -8.207 -4.428 -15.451 1.00 0.00 C ATOM 580 O SER A 39 -8.943 -3.520 -15.838 1.00 0.00 O ATOM 581 CB SER A 39 -10.314 -5.618 -14.815 1.00 0.00 C ATOM 582 OG SER A 39 -10.906 -5.956 -16.057 1.00 0.00 O ATOM 0 H SER A 39 -7.628 -5.273 -13.197 1.00 0.00 H new ATOM 0 HA SER A 39 -8.518 -6.541 -15.550 1.00 0.00 H new ATOM 0 HB2 SER A 39 -10.690 -6.282 -14.037 1.00 0.00 H new ATOM 0 HB3 SER A 39 -10.601 -4.604 -14.536 1.00 0.00 H new ATOM 0 HG SER A 39 -11.881 -5.885 -15.985 1.00 0.00 H new ATOM 588 N SER A 40 -6.881 -4.353 -15.497 1.00 0.00 N ATOM 589 CA SER A 40 -6.199 -3.172 -16.011 1.00 0.00 C ATOM 590 C SER A 40 -6.694 -1.910 -15.310 1.00 0.00 C ATOM 591 O SER A 40 -6.636 -0.814 -15.867 1.00 0.00 O ATOM 592 CB SER A 40 -6.416 -3.049 -17.521 1.00 0.00 C ATOM 593 OG SER A 40 -7.637 -2.391 -17.808 1.00 0.00 O ATOM 0 H SER A 40 -6.257 -5.097 -15.184 1.00 0.00 H new ATOM 0 HA SER A 40 -5.133 -3.283 -15.812 1.00 0.00 H new ATOM 0 HB2 SER A 40 -5.588 -2.497 -17.967 1.00 0.00 H new ATOM 0 HB3 SER A 40 -6.419 -4.041 -17.973 1.00 0.00 H new ATOM 0 HG SER A 40 -8.380 -2.892 -17.411 1.00 0.00 H new ATOM 599 N SER A 41 -7.180 -2.075 -14.084 1.00 0.00 N ATOM 600 CA SER A 41 -7.690 -0.951 -13.307 1.00 0.00 C ATOM 601 C SER A 41 -7.008 -0.879 -11.944 1.00 0.00 C ATOM 602 O SER A 41 -7.190 0.082 -11.197 1.00 0.00 O ATOM 603 CB SER A 41 -9.204 -1.073 -13.126 1.00 0.00 C ATOM 604 OG SER A 41 -9.703 -0.040 -12.294 1.00 0.00 O ATOM 0 H SER A 41 -7.231 -2.975 -13.607 1.00 0.00 H new ATOM 0 HA SER A 41 -7.470 -0.034 -13.854 1.00 0.00 H new ATOM 0 HB2 SER A 41 -9.694 -1.030 -14.099 1.00 0.00 H new ATOM 0 HB3 SER A 41 -9.444 -2.043 -12.691 1.00 0.00 H new ATOM 0 HG SER A 41 -8.961 0.373 -11.805 1.00 0.00 H new ATOM 610 N GLN A 42 -6.222 -1.904 -11.628 1.00 0.00 N ATOM 611 CA GLN A 42 -5.513 -1.958 -10.355 1.00 0.00 C ATOM 612 C GLN A 42 -4.071 -2.412 -10.554 1.00 0.00 C ATOM 613 O GLN A 42 -3.277 -2.423 -9.612 1.00 0.00 O ATOM 614 CB GLN A 42 -6.229 -2.904 -9.389 1.00 0.00 C ATOM 615 CG GLN A 42 -7.722 -2.643 -9.277 1.00 0.00 C ATOM 616 CD GLN A 42 -8.553 -3.697 -9.984 1.00 0.00 C ATOM 617 OE1 GLN A 42 -9.612 -4.097 -9.500 1.00 0.00 O ATOM 618 NE2 GLN A 42 -8.075 -4.152 -11.136 1.00 0.00 N ATOM 0 H GLN A 42 -6.060 -2.707 -12.236 1.00 0.00 H new ATOM 0 HA GLN A 42 -5.503 -0.954 -9.930 1.00 0.00 H new ATOM 0 HB2 GLN A 42 -6.072 -3.932 -9.717 1.00 0.00 H new ATOM 0 HB3 GLN A 42 -5.777 -2.812 -8.401 1.00 0.00 H new ATOM 0 HG2 GLN A 42 -8.003 -2.610 -8.224 1.00 0.00 H new ATOM 0 HG3 GLN A 42 -7.949 -1.664 -9.699 1.00 0.00 H new ATOM 0 HE21 GLN A 42 -7.193 -3.792 -11.500 1.00 0.00 H new ATOM 0 HE22 GLN A 42 -8.590 -4.862 -11.657 1.00 0.00 H new ATOM 627 N LEU A 43 -3.738 -2.785 -11.785 1.00 0.00 N ATOM 628 CA LEU A 43 -2.390 -3.241 -12.108 1.00 0.00 C ATOM 629 C LEU A 43 -1.375 -2.120 -11.909 1.00 0.00 C ATOM 630 O LEU A 43 -0.519 -2.191 -11.026 1.00 0.00 O ATOM 631 CB LEU A 43 -2.333 -3.746 -13.550 1.00 0.00 C ATOM 632 CG LEU A 43 -3.555 -4.525 -14.037 1.00 0.00 C ATOM 633 CD1 LEU A 43 -3.298 -5.116 -15.415 1.00 0.00 C ATOM 634 CD2 LEU A 43 -3.919 -5.621 -13.045 1.00 0.00 C ATOM 0 H LEU A 43 -4.382 -2.781 -12.576 1.00 0.00 H new ATOM 0 HA LEU A 43 -2.138 -4.059 -11.433 1.00 0.00 H new ATOM 0 HB2 LEU A 43 -2.187 -2.890 -14.208 1.00 0.00 H new ATOM 0 HB3 LEU A 43 -1.455 -4.383 -13.656 1.00 0.00 H new ATOM 0 HG LEU A 43 -4.395 -3.835 -14.111 1.00 0.00 H new ATOM 0 HD11 LEU A 43 -4.179 -5.667 -15.745 1.00 0.00 H new ATOM 0 HD12 LEU A 43 -3.086 -4.313 -16.121 1.00 0.00 H new ATOM 0 HD13 LEU A 43 -2.444 -5.792 -15.368 1.00 0.00 H new ATOM 0 HD21 LEU A 43 -4.791 -6.165 -13.408 1.00 0.00 H new ATOM 0 HD22 LEU A 43 -3.080 -6.309 -12.939 1.00 0.00 H new ATOM 0 HD23 LEU A 43 -4.147 -5.175 -12.077 1.00 0.00 H new ATOM 646 N LYS A 44 -1.476 -1.084 -12.735 1.00 0.00 N ATOM 647 CA LYS A 44 -0.569 0.055 -12.649 1.00 0.00 C ATOM 648 C LYS A 44 -0.830 0.864 -11.383 1.00 0.00 C ATOM 649 O LYS A 44 -0.046 1.741 -11.023 1.00 0.00 O ATOM 650 CB LYS A 44 -0.724 0.950 -13.880 1.00 0.00 C ATOM 651 CG LYS A 44 -1.881 1.929 -13.779 1.00 0.00 C ATOM 652 CD LYS A 44 -3.215 1.207 -13.682 1.00 0.00 C ATOM 653 CE LYS A 44 -4.377 2.187 -13.644 1.00 0.00 C ATOM 654 NZ LYS A 44 -4.850 2.540 -15.011 1.00 0.00 N ATOM 0 H LYS A 44 -2.177 -1.010 -13.472 1.00 0.00 H new ATOM 0 HA LYS A 44 0.451 -0.327 -12.611 1.00 0.00 H new ATOM 0 HB2 LYS A 44 0.200 1.507 -14.032 1.00 0.00 H new ATOM 0 HB3 LYS A 44 -0.866 0.322 -14.760 1.00 0.00 H new ATOM 0 HG2 LYS A 44 -1.746 2.565 -12.904 1.00 0.00 H new ATOM 0 HG3 LYS A 44 -1.883 2.583 -14.651 1.00 0.00 H new ATOM 0 HD2 LYS A 44 -3.330 0.537 -14.534 1.00 0.00 H new ATOM 0 HD3 LYS A 44 -3.230 0.588 -12.785 1.00 0.00 H new ATOM 0 HE2 LYS A 44 -5.200 1.753 -13.076 1.00 0.00 H new ATOM 0 HE3 LYS A 44 -4.071 3.093 -13.120 1.00 0.00 H new ATOM 0 HZ1 LYS A 44 -5.643 3.210 -14.942 1.00 0.00 H new ATOM 0 HZ2 LYS A 44 -4.072 2.978 -15.545 1.00 0.00 H new ATOM 0 HZ3 LYS A 44 -5.166 1.679 -15.502 1.00 0.00 H new ATOM 668 N GLU A 45 -1.937 0.563 -10.711 1.00 0.00 N ATOM 669 CA GLU A 45 -2.300 1.263 -9.484 1.00 0.00 C ATOM 670 C GLU A 45 -1.136 1.271 -8.498 1.00 0.00 C ATOM 671 O GLU A 45 -0.812 2.305 -7.912 1.00 0.00 O ATOM 672 CB GLU A 45 -3.524 0.609 -8.841 1.00 0.00 C ATOM 673 CG GLU A 45 -4.032 1.344 -7.612 1.00 0.00 C ATOM 674 CD GLU A 45 -4.280 2.817 -7.875 1.00 0.00 C ATOM 675 OE1 GLU A 45 -5.251 3.136 -8.592 1.00 0.00 O ATOM 676 OE2 GLU A 45 -3.503 3.651 -7.364 1.00 0.00 O ATOM 0 H GLU A 45 -2.598 -0.160 -10.995 1.00 0.00 H new ATOM 0 HA GLU A 45 -2.542 2.294 -9.742 1.00 0.00 H new ATOM 0 HB2 GLU A 45 -4.325 0.554 -9.578 1.00 0.00 H new ATOM 0 HB3 GLU A 45 -3.275 -0.415 -8.564 1.00 0.00 H new ATOM 0 HG2 GLU A 45 -4.957 0.879 -7.271 1.00 0.00 H new ATOM 0 HG3 GLU A 45 -3.307 1.240 -6.805 1.00 0.00 H new ATOM 683 N ILE A 46 -0.512 0.112 -8.319 1.00 0.00 N ATOM 684 CA ILE A 46 0.616 -0.015 -7.404 1.00 0.00 C ATOM 685 C ILE A 46 1.924 0.370 -8.087 1.00 0.00 C ATOM 686 O ILE A 46 2.903 0.715 -7.426 1.00 0.00 O ATOM 687 CB ILE A 46 0.738 -1.449 -6.857 1.00 0.00 C ATOM 688 CG1 ILE A 46 -0.623 -1.951 -6.371 1.00 0.00 C ATOM 689 CG2 ILE A 46 1.761 -1.501 -5.731 1.00 0.00 C ATOM 690 CD1 ILE A 46 -1.393 -2.721 -7.421 1.00 0.00 C ATOM 0 H ILE A 46 -0.768 -0.753 -8.795 1.00 0.00 H new ATOM 0 HA ILE A 46 0.428 0.667 -6.575 1.00 0.00 H new ATOM 0 HB ILE A 46 1.078 -2.101 -7.661 1.00 0.00 H new ATOM 0 HG12 ILE A 46 -0.476 -2.589 -5.499 1.00 0.00 H new ATOM 0 HG13 ILE A 46 -1.220 -1.099 -6.046 1.00 0.00 H new ATOM 0 HG21 ILE A 46 1.836 -2.521 -5.354 1.00 0.00 H new ATOM 0 HG22 ILE A 46 2.733 -1.181 -6.107 1.00 0.00 H new ATOM 0 HG23 ILE A 46 1.448 -0.839 -4.924 1.00 0.00 H new ATOM 0 HD11 ILE A 46 -2.347 -3.046 -7.007 1.00 0.00 H new ATOM 0 HD12 ILE A 46 -1.572 -2.080 -8.284 1.00 0.00 H new ATOM 0 HD13 ILE A 46 -0.816 -3.593 -7.729 1.00 0.00 H new ATOM 702 N PHE A 47 1.931 0.310 -9.415 1.00 0.00 N ATOM 703 CA PHE A 47 3.119 0.653 -10.188 1.00 0.00 C ATOM 704 C PHE A 47 4.384 0.169 -9.487 1.00 0.00 C ATOM 705 O PHE A 47 5.388 0.879 -9.433 1.00 0.00 O ATOM 706 CB PHE A 47 3.191 2.166 -10.408 1.00 0.00 C ATOM 707 CG PHE A 47 3.013 2.963 -9.147 1.00 0.00 C ATOM 708 CD1 PHE A 47 1.752 3.366 -8.739 1.00 0.00 C ATOM 709 CD2 PHE A 47 4.107 3.311 -8.371 1.00 0.00 C ATOM 710 CE1 PHE A 47 1.585 4.100 -7.579 1.00 0.00 C ATOM 711 CE2 PHE A 47 3.946 4.044 -7.211 1.00 0.00 C ATOM 712 CZ PHE A 47 2.684 4.440 -6.815 1.00 0.00 C ATOM 0 H PHE A 47 1.128 0.027 -9.977 1.00 0.00 H new ATOM 0 HA PHE A 47 3.048 0.155 -11.155 1.00 0.00 H new ATOM 0 HB2 PHE A 47 4.154 2.415 -10.853 1.00 0.00 H new ATOM 0 HB3 PHE A 47 2.423 2.458 -11.125 1.00 0.00 H new ATOM 0 HD1 PHE A 47 0.889 3.104 -9.334 1.00 0.00 H new ATOM 0 HD2 PHE A 47 5.097 3.006 -8.676 1.00 0.00 H new ATOM 0 HE1 PHE A 47 0.596 4.407 -7.271 1.00 0.00 H new ATOM 0 HE2 PHE A 47 4.807 4.307 -6.614 1.00 0.00 H new ATOM 0 HZ PHE A 47 2.557 5.015 -5.909 1.00 0.00 H new ATOM 722 N ARG A 48 4.327 -1.045 -8.949 1.00 0.00 N ATOM 723 CA ARG A 48 5.467 -1.625 -8.249 1.00 0.00 C ATOM 724 C ARG A 48 5.546 -3.130 -8.490 1.00 0.00 C ATOM 725 O ARG A 48 6.249 -3.846 -7.778 1.00 0.00 O ATOM 726 CB ARG A 48 5.369 -1.343 -6.749 1.00 0.00 C ATOM 727 CG ARG A 48 5.906 0.022 -6.349 1.00 0.00 C ATOM 728 CD ARG A 48 6.569 -0.020 -4.981 1.00 0.00 C ATOM 729 NE ARG A 48 5.887 0.839 -4.016 1.00 0.00 N ATOM 730 CZ ARG A 48 4.788 0.481 -3.363 1.00 0.00 C ATOM 731 NH1 ARG A 48 4.249 -0.713 -3.569 1.00 0.00 N ATOM 732 NH2 ARG A 48 4.225 1.317 -2.500 1.00 0.00 N ATOM 0 H ARG A 48 3.504 -1.646 -8.984 1.00 0.00 H new ATOM 0 HA ARG A 48 6.374 -1.164 -8.640 1.00 0.00 H new ATOM 0 HB2 ARG A 48 4.326 -1.418 -6.441 1.00 0.00 H new ATOM 0 HB3 ARG A 48 5.918 -2.113 -6.207 1.00 0.00 H new ATOM 0 HG2 ARG A 48 6.626 0.364 -7.093 1.00 0.00 H new ATOM 0 HG3 ARG A 48 5.091 0.746 -6.338 1.00 0.00 H new ATOM 0 HD2 ARG A 48 6.575 -1.046 -4.612 1.00 0.00 H new ATOM 0 HD3 ARG A 48 7.609 0.292 -5.073 1.00 0.00 H new ATOM 0 HE ARG A 48 6.276 1.764 -3.834 1.00 0.00 H new ATOM 0 HH11 ARG A 48 4.679 -1.359 -4.231 1.00 0.00 H new ATOM 0 HH12 ARG A 48 3.405 -0.985 -3.066 1.00 0.00 H new ATOM 0 HH21 ARG A 48 4.637 2.236 -2.338 1.00 0.00 H new ATOM 0 HH22 ARG A 48 3.381 1.041 -1.999 1.00 0.00 H new ATOM 746 N ILE A 49 4.820 -3.601 -9.499 1.00 0.00 N ATOM 747 CA ILE A 49 4.808 -5.019 -9.834 1.00 0.00 C ATOM 748 C ILE A 49 4.814 -5.227 -11.344 1.00 0.00 C ATOM 749 O ILE A 49 4.655 -6.349 -11.828 1.00 0.00 O ATOM 750 CB ILE A 49 3.580 -5.729 -9.233 1.00 0.00 C ATOM 751 CG1 ILE A 49 2.318 -5.360 -10.015 1.00 0.00 C ATOM 752 CG2 ILE A 49 3.425 -5.367 -7.764 1.00 0.00 C ATOM 753 CD1 ILE A 49 1.950 -3.896 -9.912 1.00 0.00 C ATOM 0 H ILE A 49 4.233 -3.021 -10.098 1.00 0.00 H new ATOM 0 HA ILE A 49 5.713 -5.452 -9.407 1.00 0.00 H new ATOM 0 HB ILE A 49 3.729 -6.806 -9.307 1.00 0.00 H new ATOM 0 HG12 ILE A 49 2.462 -5.617 -11.064 1.00 0.00 H new ATOM 0 HG13 ILE A 49 1.486 -5.962 -9.651 1.00 0.00 H new ATOM 0 HG21 ILE A 49 2.553 -5.876 -7.354 1.00 0.00 H new ATOM 0 HG22 ILE A 49 4.316 -5.675 -7.217 1.00 0.00 H new ATOM 0 HG23 ILE A 49 3.295 -4.289 -7.667 1.00 0.00 H new ATOM 0 HD11 ILE A 49 1.046 -3.707 -10.491 1.00 0.00 H new ATOM 0 HD12 ILE A 49 1.773 -3.638 -8.868 1.00 0.00 H new ATOM 0 HD13 ILE A 49 2.765 -3.287 -10.303 1.00 0.00 H new ATOM 765 N LEU A 50 4.999 -4.140 -12.085 1.00 0.00 N ATOM 766 CA LEU A 50 5.028 -4.203 -13.542 1.00 0.00 C ATOM 767 C LEU A 50 6.245 -3.469 -14.095 1.00 0.00 C ATOM 768 O LEU A 50 7.158 -4.086 -14.643 1.00 0.00 O ATOM 769 CB LEU A 50 3.747 -3.601 -14.123 1.00 0.00 C ATOM 770 CG LEU A 50 2.436 -4.080 -13.500 1.00 0.00 C ATOM 771 CD1 LEU A 50 1.323 -3.079 -13.762 1.00 0.00 C ATOM 772 CD2 LEU A 50 2.060 -5.453 -14.039 1.00 0.00 C ATOM 0 H LEU A 50 5.131 -3.204 -11.701 1.00 0.00 H new ATOM 0 HA LEU A 50 5.095 -5.251 -13.835 1.00 0.00 H new ATOM 0 HB2 LEU A 50 3.800 -2.517 -14.020 1.00 0.00 H new ATOM 0 HB3 LEU A 50 3.719 -3.819 -15.191 1.00 0.00 H new ATOM 0 HG LEU A 50 2.576 -4.161 -12.422 1.00 0.00 H new ATOM 0 HD11 LEU A 50 0.398 -3.437 -13.311 1.00 0.00 H new ATOM 0 HD12 LEU A 50 1.590 -2.116 -13.327 1.00 0.00 H new ATOM 0 HD13 LEU A 50 1.182 -2.965 -14.837 1.00 0.00 H new ATOM 0 HD21 LEU A 50 1.124 -5.778 -13.585 1.00 0.00 H new ATOM 0 HD22 LEU A 50 1.938 -5.398 -15.121 1.00 0.00 H new ATOM 0 HD23 LEU A 50 2.848 -6.167 -13.798 1.00 0.00 H new ATOM 784 N ASP A 51 6.252 -2.149 -13.945 1.00 0.00 N ATOM 785 CA ASP A 51 7.359 -1.331 -14.426 1.00 0.00 C ATOM 786 C ASP A 51 8.005 -0.560 -13.278 1.00 0.00 C ATOM 787 O ASP A 51 7.431 0.396 -12.760 1.00 0.00 O ATOM 788 CB ASP A 51 6.873 -0.357 -15.500 1.00 0.00 C ATOM 789 CG ASP A 51 5.783 -0.952 -16.370 1.00 0.00 C ATOM 790 OD1 ASP A 51 4.639 -1.082 -15.883 1.00 0.00 O ATOM 791 OD2 ASP A 51 6.073 -1.287 -17.537 1.00 0.00 O ATOM 0 H ASP A 51 5.504 -1.623 -13.494 1.00 0.00 H new ATOM 0 HA ASP A 51 8.106 -1.995 -14.860 1.00 0.00 H new ATOM 0 HB2 ASP A 51 6.499 0.549 -15.023 1.00 0.00 H new ATOM 0 HB3 ASP A 51 7.714 -0.063 -16.127 1.00 0.00 H new ATOM 796 N ASN A 52 9.201 -0.986 -12.885 1.00 0.00 N ATOM 797 CA ASN A 52 9.924 -0.337 -11.797 1.00 0.00 C ATOM 798 C ASN A 52 10.481 1.012 -12.243 1.00 0.00 C ATOM 799 O ASN A 52 10.959 1.798 -11.425 1.00 0.00 O ATOM 800 CB ASN A 52 11.061 -1.235 -11.306 1.00 0.00 C ATOM 801 CG ASN A 52 11.735 -0.686 -10.063 1.00 0.00 C ATOM 802 OD1 ASN A 52 11.069 -0.303 -9.101 1.00 0.00 O ATOM 803 ND2 ASN A 52 13.062 -0.646 -10.078 1.00 0.00 N ATOM 0 H ASN A 52 9.690 -1.777 -13.303 1.00 0.00 H new ATOM 0 HA ASN A 52 9.225 -0.168 -10.978 1.00 0.00 H new ATOM 0 HB2 ASN A 52 10.669 -2.230 -11.094 1.00 0.00 H new ATOM 0 HB3 ASN A 52 11.801 -1.346 -12.099 1.00 0.00 H new ATOM 0 HD21 ASN A 52 13.571 -0.287 -9.270 1.00 0.00 H new ATOM 0 HD22 ASN A 52 13.573 -0.974 -10.898 1.00 0.00 H new ATOM 810 N ASP A 53 10.416 1.272 -13.544 1.00 0.00 N ATOM 811 CA ASP A 53 10.913 2.525 -14.099 1.00 0.00 C ATOM 812 C ASP A 53 9.758 3.433 -14.510 1.00 0.00 C ATOM 813 O ASP A 53 9.771 4.632 -14.237 1.00 0.00 O ATOM 814 CB ASP A 53 11.817 2.253 -15.302 1.00 0.00 C ATOM 815 CG ASP A 53 12.833 3.356 -15.524 1.00 0.00 C ATOM 816 OD1 ASP A 53 12.540 4.515 -15.164 1.00 0.00 O ATOM 817 OD2 ASP A 53 13.923 3.059 -16.057 1.00 0.00 O ATOM 0 H ASP A 53 10.024 0.631 -14.234 1.00 0.00 H new ATOM 0 HA ASP A 53 11.493 3.031 -13.327 1.00 0.00 H new ATOM 0 HB2 ASP A 53 12.338 1.307 -15.154 1.00 0.00 H new ATOM 0 HB3 ASP A 53 11.204 2.143 -16.196 1.00 0.00 H new ATOM 822 N GLN A 54 8.761 2.851 -15.170 1.00 0.00 N ATOM 823 CA GLN A 54 7.600 3.608 -15.621 1.00 0.00 C ATOM 824 C GLN A 54 8.026 4.840 -16.413 1.00 0.00 C ATOM 825 O GLN A 54 7.336 5.859 -16.414 1.00 0.00 O ATOM 826 CB GLN A 54 6.743 4.028 -14.425 1.00 0.00 C ATOM 827 CG GLN A 54 5.248 3.927 -14.682 1.00 0.00 C ATOM 828 CD GLN A 54 4.756 2.494 -14.709 1.00 0.00 C ATOM 829 OE1 GLN A 54 4.295 2.003 -15.740 1.00 0.00 O ATOM 830 NE2 GLN A 54 4.852 1.813 -13.573 1.00 0.00 N ATOM 0 H GLN A 54 8.735 1.858 -15.404 1.00 0.00 H new ATOM 0 HA GLN A 54 7.011 2.965 -16.274 1.00 0.00 H new ATOM 0 HB2 GLN A 54 6.999 3.404 -13.568 1.00 0.00 H new ATOM 0 HB3 GLN A 54 6.988 5.055 -14.156 1.00 0.00 H new ATOM 0 HG2 GLN A 54 4.712 4.476 -13.908 1.00 0.00 H new ATOM 0 HG3 GLN A 54 5.014 4.406 -15.633 1.00 0.00 H new ATOM 0 HE21 GLN A 54 5.241 2.259 -12.742 1.00 0.00 H new ATOM 0 HE22 GLN A 54 4.537 0.844 -13.531 1.00 0.00 H new ATOM 839 N SER A 55 9.168 4.738 -17.086 1.00 0.00 N ATOM 840 CA SER A 55 9.689 5.845 -17.879 1.00 0.00 C ATOM 841 C SER A 55 9.852 5.437 -19.340 1.00 0.00 C ATOM 842 O SER A 55 9.686 6.253 -20.246 1.00 0.00 O ATOM 843 CB SER A 55 11.032 6.315 -17.317 1.00 0.00 C ATOM 844 OG SER A 55 11.289 7.663 -17.672 1.00 0.00 O ATOM 0 H SER A 55 9.750 3.900 -17.098 1.00 0.00 H new ATOM 0 HA SER A 55 8.973 6.666 -17.826 1.00 0.00 H new ATOM 0 HB2 SER A 55 11.031 6.215 -16.232 1.00 0.00 H new ATOM 0 HB3 SER A 55 11.831 5.677 -17.695 1.00 0.00 H new ATOM 0 HG SER A 55 12.152 7.940 -17.300 1.00 0.00 H new ATOM 850 N GLY A 56 10.178 4.167 -19.561 1.00 0.00 N ATOM 851 CA GLY A 56 10.358 3.672 -20.913 1.00 0.00 C ATOM 852 C GLY A 56 9.615 2.374 -21.159 1.00 0.00 C ATOM 853 O GLY A 56 8.576 2.360 -21.818 1.00 0.00 O ATOM 0 H GLY A 56 10.321 3.472 -18.828 1.00 0.00 H new ATOM 0 HA2 GLY A 56 10.012 4.425 -21.621 1.00 0.00 H new ATOM 0 HA3 GLY A 56 11.421 3.520 -21.103 1.00 0.00 H new ATOM 857 N PHE A 57 10.150 1.279 -20.629 1.00 0.00 N ATOM 858 CA PHE A 57 9.532 -0.032 -20.796 1.00 0.00 C ATOM 859 C PHE A 57 10.213 -1.071 -19.911 1.00 0.00 C ATOM 860 O PHE A 57 11.300 -0.835 -19.382 1.00 0.00 O ATOM 861 CB PHE A 57 9.602 -0.469 -22.261 1.00 0.00 C ATOM 862 CG PHE A 57 10.950 -0.254 -22.887 1.00 0.00 C ATOM 863 CD1 PHE A 57 11.965 -1.182 -22.713 1.00 0.00 C ATOM 864 CD2 PHE A 57 11.203 0.874 -23.650 1.00 0.00 C ATOM 865 CE1 PHE A 57 13.207 -0.987 -23.287 1.00 0.00 C ATOM 866 CE2 PHE A 57 12.443 1.075 -24.227 1.00 0.00 C ATOM 867 CZ PHE A 57 13.446 0.142 -24.046 1.00 0.00 C ATOM 0 H PHE A 57 11.010 1.273 -20.080 1.00 0.00 H new ATOM 0 HA PHE A 57 8.487 0.046 -20.496 1.00 0.00 H new ATOM 0 HB2 PHE A 57 9.343 -1.526 -22.329 1.00 0.00 H new ATOM 0 HB3 PHE A 57 8.853 0.080 -22.832 1.00 0.00 H new ATOM 0 HD1 PHE A 57 11.783 -2.068 -22.122 1.00 0.00 H new ATOM 0 HD2 PHE A 57 10.422 1.605 -23.796 1.00 0.00 H new ATOM 0 HE1 PHE A 57 13.990 -1.717 -23.142 1.00 0.00 H new ATOM 0 HE2 PHE A 57 12.628 1.960 -24.818 1.00 0.00 H new ATOM 0 HZ PHE A 57 14.415 0.295 -24.497 1.00 0.00 H new ATOM 877 N ILE A 58 9.566 -2.221 -19.754 1.00 0.00 N ATOM 878 CA ILE A 58 10.109 -3.297 -18.934 1.00 0.00 C ATOM 879 C ILE A 58 11.228 -4.033 -19.663 1.00 0.00 C ATOM 880 O ILE A 58 11.253 -4.083 -20.892 1.00 0.00 O ATOM 881 CB ILE A 58 9.018 -4.308 -18.537 1.00 0.00 C ATOM 882 CG1 ILE A 58 7.778 -3.577 -18.018 1.00 0.00 C ATOM 883 CG2 ILE A 58 9.547 -5.275 -17.489 1.00 0.00 C ATOM 884 CD1 ILE A 58 6.605 -4.493 -17.747 1.00 0.00 C ATOM 0 H ILE A 58 8.665 -2.432 -20.184 1.00 0.00 H new ATOM 0 HA ILE A 58 10.509 -2.835 -18.032 1.00 0.00 H new ATOM 0 HB ILE A 58 8.736 -4.880 -19.421 1.00 0.00 H new ATOM 0 HG12 ILE A 58 8.035 -3.049 -17.100 1.00 0.00 H new ATOM 0 HG13 ILE A 58 7.479 -2.823 -18.747 1.00 0.00 H new ATOM 0 HG21 ILE A 58 8.764 -5.983 -17.219 1.00 0.00 H new ATOM 0 HG22 ILE A 58 10.402 -5.817 -17.893 1.00 0.00 H new ATOM 0 HG23 ILE A 58 9.855 -4.719 -16.603 1.00 0.00 H new ATOM 0 HD11 ILE A 58 5.762 -3.906 -17.382 1.00 0.00 H new ATOM 0 HD12 ILE A 58 6.321 -5.002 -18.668 1.00 0.00 H new ATOM 0 HD13 ILE A 58 6.886 -5.231 -16.996 1.00 0.00 H new ATOM 896 N GLU A 59 12.151 -4.605 -18.895 1.00 0.00 N ATOM 897 CA GLU A 59 13.272 -5.339 -19.469 1.00 0.00 C ATOM 898 C GLU A 59 13.734 -6.449 -18.529 1.00 0.00 C ATOM 899 O GLU A 59 13.354 -6.483 -17.359 1.00 0.00 O ATOM 900 CB GLU A 59 14.435 -4.390 -19.765 1.00 0.00 C ATOM 901 CG GLU A 59 15.310 -4.841 -20.923 1.00 0.00 C ATOM 902 CD GLU A 59 16.185 -3.727 -21.462 1.00 0.00 C ATOM 903 OE1 GLU A 59 16.947 -3.134 -20.670 1.00 0.00 O ATOM 904 OE2 GLU A 59 16.109 -3.448 -22.677 1.00 0.00 O ATOM 0 H GLU A 59 12.144 -4.574 -17.875 1.00 0.00 H new ATOM 0 HA GLU A 59 12.936 -5.792 -20.402 1.00 0.00 H new ATOM 0 HB2 GLU A 59 14.037 -3.399 -19.986 1.00 0.00 H new ATOM 0 HB3 GLU A 59 15.051 -4.294 -18.871 1.00 0.00 H new ATOM 0 HG2 GLU A 59 15.941 -5.667 -20.596 1.00 0.00 H new ATOM 0 HG3 GLU A 59 14.677 -5.221 -21.725 1.00 0.00 H new ATOM 911 N GLU A 60 14.557 -7.354 -19.050 1.00 0.00 N ATOM 912 CA GLU A 60 15.069 -8.466 -18.257 1.00 0.00 C ATOM 913 C GLU A 60 15.826 -7.957 -17.033 1.00 0.00 C ATOM 914 O GLU A 60 15.969 -8.669 -16.039 1.00 0.00 O ATOM 915 CB GLU A 60 15.985 -9.348 -19.107 1.00 0.00 C ATOM 916 CG GLU A 60 17.287 -8.671 -19.502 1.00 0.00 C ATOM 917 CD GLU A 60 17.850 -9.205 -20.805 1.00 0.00 C ATOM 918 OE1 GLU A 60 18.490 -10.277 -20.780 1.00 0.00 O ATOM 919 OE2 GLU A 60 17.651 -8.550 -21.850 1.00 0.00 O ATOM 0 H GLU A 60 14.883 -7.339 -20.016 1.00 0.00 H new ATOM 0 HA GLU A 60 14.220 -9.059 -17.917 1.00 0.00 H new ATOM 0 HB2 GLU A 60 16.212 -10.260 -18.555 1.00 0.00 H new ATOM 0 HB3 GLU A 60 15.452 -9.647 -20.010 1.00 0.00 H new ATOM 0 HG2 GLU A 60 17.121 -7.598 -19.595 1.00 0.00 H new ATOM 0 HG3 GLU A 60 18.021 -8.812 -18.708 1.00 0.00 H new ATOM 926 N ASP A 61 16.310 -6.723 -17.115 1.00 0.00 N ATOM 927 CA ASP A 61 17.053 -6.118 -16.016 1.00 0.00 C ATOM 928 C ASP A 61 16.114 -5.715 -14.883 1.00 0.00 C ATOM 929 O ASP A 61 16.560 -5.297 -13.815 1.00 0.00 O ATOM 930 CB ASP A 61 17.832 -4.897 -16.508 1.00 0.00 C ATOM 931 CG ASP A 61 18.929 -4.484 -15.548 1.00 0.00 C ATOM 932 OD1 ASP A 61 19.860 -5.288 -15.331 1.00 0.00 O ATOM 933 OD2 ASP A 61 18.857 -3.358 -15.012 1.00 0.00 O ATOM 0 H ASP A 61 16.201 -6.122 -17.932 1.00 0.00 H new ATOM 0 HA ASP A 61 17.757 -6.858 -15.636 1.00 0.00 H new ATOM 0 HB2 ASP A 61 18.270 -5.117 -17.482 1.00 0.00 H new ATOM 0 HB3 ASP A 61 17.144 -4.063 -16.649 1.00 0.00 H new ATOM 938 N GLU A 62 14.814 -5.844 -15.125 1.00 0.00 N ATOM 939 CA GLU A 62 13.813 -5.491 -14.125 1.00 0.00 C ATOM 940 C GLU A 62 12.917 -6.685 -13.807 1.00 0.00 C ATOM 941 O GLU A 62 11.771 -6.521 -13.386 1.00 0.00 O ATOM 942 CB GLU A 62 12.962 -4.317 -14.614 1.00 0.00 C ATOM 943 CG GLU A 62 13.589 -2.959 -14.347 1.00 0.00 C ATOM 944 CD GLU A 62 13.935 -2.753 -12.885 1.00 0.00 C ATOM 945 OE1 GLU A 62 13.222 -3.309 -12.023 1.00 0.00 O ATOM 946 OE2 GLU A 62 14.918 -2.037 -12.603 1.00 0.00 O ATOM 0 H GLU A 62 14.429 -6.190 -16.004 1.00 0.00 H new ATOM 0 HA GLU A 62 14.335 -5.197 -13.214 1.00 0.00 H new ATOM 0 HB2 GLU A 62 12.791 -4.425 -15.685 1.00 0.00 H new ATOM 0 HB3 GLU A 62 11.987 -4.359 -14.129 1.00 0.00 H new ATOM 0 HG2 GLU A 62 14.492 -2.856 -14.948 1.00 0.00 H new ATOM 0 HG3 GLU A 62 12.901 -2.176 -14.667 1.00 0.00 H new ATOM 953 N LEU A 63 13.447 -7.886 -14.012 1.00 0.00 N ATOM 954 CA LEU A 63 12.696 -9.108 -13.748 1.00 0.00 C ATOM 955 C LEU A 63 13.316 -9.890 -12.595 1.00 0.00 C ATOM 956 O LEU A 63 12.616 -10.343 -11.689 1.00 0.00 O ATOM 957 CB LEU A 63 12.647 -9.981 -15.003 1.00 0.00 C ATOM 958 CG LEU A 63 12.101 -9.313 -16.265 1.00 0.00 C ATOM 959 CD1 LEU A 63 12.025 -10.312 -17.409 1.00 0.00 C ATOM 960 CD2 LEU A 63 10.732 -8.704 -15.996 1.00 0.00 C ATOM 0 H LEU A 63 14.393 -8.039 -14.360 1.00 0.00 H new ATOM 0 HA LEU A 63 11.681 -8.828 -13.468 1.00 0.00 H new ATOM 0 HB2 LEU A 63 13.655 -10.338 -15.212 1.00 0.00 H new ATOM 0 HB3 LEU A 63 12.037 -10.858 -14.787 1.00 0.00 H new ATOM 0 HG LEU A 63 12.783 -8.513 -16.553 1.00 0.00 H new ATOM 0 HD11 LEU A 63 11.634 -9.818 -18.298 1.00 0.00 H new ATOM 0 HD12 LEU A 63 13.021 -10.702 -17.619 1.00 0.00 H new ATOM 0 HD13 LEU A 63 11.365 -11.134 -17.131 1.00 0.00 H new ATOM 0 HD21 LEU A 63 10.358 -8.233 -16.905 1.00 0.00 H new ATOM 0 HD22 LEU A 63 10.041 -9.486 -15.683 1.00 0.00 H new ATOM 0 HD23 LEU A 63 10.815 -7.956 -15.207 1.00 0.00 H new ATOM 972 N LYS A 64 14.636 -10.043 -12.632 1.00 0.00 N ATOM 973 CA LYS A 64 15.353 -10.767 -11.589 1.00 0.00 C ATOM 974 C LYS A 64 15.208 -10.065 -10.243 1.00 0.00 C ATOM 975 O LYS A 64 15.591 -10.607 -9.205 1.00 0.00 O ATOM 976 CB LYS A 64 16.833 -10.894 -11.954 1.00 0.00 C ATOM 977 CG LYS A 64 17.524 -9.558 -12.169 1.00 0.00 C ATOM 978 CD LYS A 64 18.743 -9.698 -13.065 1.00 0.00 C ATOM 979 CE LYS A 64 18.440 -9.260 -14.490 1.00 0.00 C ATOM 980 NZ LYS A 64 18.043 -10.409 -15.351 1.00 0.00 N ATOM 0 H LYS A 64 15.231 -9.675 -13.374 1.00 0.00 H new ATOM 0 HA LYS A 64 14.919 -11.763 -11.508 1.00 0.00 H new ATOM 0 HB2 LYS A 64 17.349 -11.437 -11.162 1.00 0.00 H new ATOM 0 HB3 LYS A 64 16.925 -11.491 -12.861 1.00 0.00 H new ATOM 0 HG2 LYS A 64 16.823 -8.852 -12.615 1.00 0.00 H new ATOM 0 HG3 LYS A 64 17.824 -9.144 -11.207 1.00 0.00 H new ATOM 0 HD2 LYS A 64 19.561 -9.099 -12.665 1.00 0.00 H new ATOM 0 HD3 LYS A 64 19.079 -10.735 -13.065 1.00 0.00 H new ATOM 0 HE2 LYS A 64 17.640 -8.520 -14.480 1.00 0.00 H new ATOM 0 HE3 LYS A 64 19.318 -8.774 -14.915 1.00 0.00 H new ATOM 0 HZ1 LYS A 64 18.797 -10.603 -16.041 1.00 0.00 H new ATOM 0 HZ2 LYS A 64 17.891 -11.250 -14.759 1.00 0.00 H new ATOM 0 HZ3 LYS A 64 17.163 -10.177 -15.855 1.00 0.00 H new ATOM 994 N TYR A 65 14.653 -8.859 -10.266 1.00 0.00 N ATOM 995 CA TYR A 65 14.459 -8.083 -9.047 1.00 0.00 C ATOM 996 C TYR A 65 12.983 -8.034 -8.661 1.00 0.00 C ATOM 997 O TYR A 65 12.504 -7.038 -8.118 1.00 0.00 O ATOM 998 CB TYR A 65 14.997 -6.663 -9.230 1.00 0.00 C ATOM 999 CG TYR A 65 16.507 -6.584 -9.238 1.00 0.00 C ATOM 1000 CD1 TYR A 65 17.230 -6.831 -10.398 1.00 0.00 C ATOM 1001 CD2 TYR A 65 17.211 -6.261 -8.084 1.00 0.00 C ATOM 1002 CE1 TYR A 65 18.609 -6.760 -10.409 1.00 0.00 C ATOM 1003 CE2 TYR A 65 18.590 -6.187 -8.086 1.00 0.00 C ATOM 1004 CZ TYR A 65 19.285 -6.438 -9.251 1.00 0.00 C ATOM 1005 OH TYR A 65 20.659 -6.366 -9.258 1.00 0.00 O ATOM 0 H TYR A 65 14.329 -8.397 -11.116 1.00 0.00 H new ATOM 0 HA TYR A 65 15.010 -8.572 -8.244 1.00 0.00 H new ATOM 0 HB2 TYR A 65 14.615 -6.257 -10.167 1.00 0.00 H new ATOM 0 HB3 TYR A 65 14.613 -6.032 -8.429 1.00 0.00 H new ATOM 0 HD1 TYR A 65 16.704 -7.083 -11.307 1.00 0.00 H new ATOM 0 HD2 TYR A 65 16.670 -6.064 -7.170 1.00 0.00 H new ATOM 0 HE1 TYR A 65 19.155 -6.956 -11.320 1.00 0.00 H new ATOM 0 HE2 TYR A 65 19.121 -5.934 -7.180 1.00 0.00 H new ATOM 0 HH TYR A 65 20.979 -6.127 -8.363 1.00 0.00 H new ATOM 1015 N PHE A 66 12.268 -9.117 -8.946 1.00 0.00 N ATOM 1016 CA PHE A 66 10.847 -9.199 -8.630 1.00 0.00 C ATOM 1017 C PHE A 66 10.635 -9.682 -7.198 1.00 0.00 C ATOM 1018 O PHE A 66 10.144 -8.941 -6.347 1.00 0.00 O ATOM 1019 CB PHE A 66 10.139 -10.139 -9.608 1.00 0.00 C ATOM 1020 CG PHE A 66 8.642 -10.012 -9.584 1.00 0.00 C ATOM 1021 CD1 PHE A 66 8.007 -9.003 -10.289 1.00 0.00 C ATOM 1022 CD2 PHE A 66 7.870 -10.903 -8.856 1.00 0.00 C ATOM 1023 CE1 PHE A 66 6.631 -8.884 -10.269 1.00 0.00 C ATOM 1024 CE2 PHE A 66 6.493 -10.790 -8.832 1.00 0.00 C ATOM 1025 CZ PHE A 66 5.872 -9.778 -9.539 1.00 0.00 C ATOM 0 H PHE A 66 12.649 -9.950 -9.395 1.00 0.00 H new ATOM 0 HA PHE A 66 10.421 -8.200 -8.724 1.00 0.00 H new ATOM 0 HB2 PHE A 66 10.497 -9.937 -10.618 1.00 0.00 H new ATOM 0 HB3 PHE A 66 10.412 -11.168 -9.373 1.00 0.00 H new ATOM 0 HD1 PHE A 66 8.595 -8.301 -10.861 1.00 0.00 H new ATOM 0 HD2 PHE A 66 8.350 -11.695 -8.301 1.00 0.00 H new ATOM 0 HE1 PHE A 66 6.149 -8.093 -10.824 1.00 0.00 H new ATOM 0 HE2 PHE A 66 5.903 -11.492 -8.261 1.00 0.00 H new ATOM 0 HZ PHE A 66 4.796 -9.686 -9.521 1.00 0.00 H new ATOM 1035 N LEU A 67 11.008 -10.931 -6.941 1.00 0.00 N ATOM 1036 CA LEU A 67 10.859 -11.516 -5.613 1.00 0.00 C ATOM 1037 C LEU A 67 11.481 -10.617 -4.549 1.00 0.00 C ATOM 1038 O LEU A 67 11.083 -10.651 -3.385 1.00 0.00 O ATOM 1039 CB LEU A 67 11.507 -12.901 -5.568 1.00 0.00 C ATOM 1040 CG LEU A 67 11.218 -13.816 -6.759 1.00 0.00 C ATOM 1041 CD1 LEU A 67 11.828 -15.191 -6.536 1.00 0.00 C ATOM 1042 CD2 LEU A 67 9.719 -13.926 -6.995 1.00 0.00 C ATOM 0 H LEU A 67 11.416 -11.558 -7.635 1.00 0.00 H new ATOM 0 HA LEU A 67 9.794 -11.613 -5.404 1.00 0.00 H new ATOM 0 HB2 LEU A 67 12.586 -12.773 -5.487 1.00 0.00 H new ATOM 0 HB3 LEU A 67 11.177 -13.405 -4.660 1.00 0.00 H new ATOM 0 HG LEU A 67 11.674 -13.380 -7.648 1.00 0.00 H new ATOM 0 HD11 LEU A 67 11.612 -15.828 -7.394 1.00 0.00 H new ATOM 0 HD12 LEU A 67 12.907 -15.095 -6.418 1.00 0.00 H new ATOM 0 HD13 LEU A 67 11.402 -15.636 -5.637 1.00 0.00 H new ATOM 0 HD21 LEU A 67 9.532 -14.581 -7.846 1.00 0.00 H new ATOM 0 HD22 LEU A 67 9.240 -14.339 -6.107 1.00 0.00 H new ATOM 0 HD23 LEU A 67 9.310 -12.937 -7.201 1.00 0.00 H new ATOM 1054 N GLN A 68 12.457 -9.812 -4.958 1.00 0.00 N ATOM 1055 CA GLN A 68 13.132 -8.903 -4.040 1.00 0.00 C ATOM 1056 C GLN A 68 12.121 -8.077 -3.251 1.00 0.00 C ATOM 1057 O GLN A 68 12.409 -7.616 -2.146 1.00 0.00 O ATOM 1058 CB GLN A 68 14.076 -7.977 -4.808 1.00 0.00 C ATOM 1059 CG GLN A 68 15.432 -7.802 -4.143 1.00 0.00 C ATOM 1060 CD GLN A 68 16.554 -7.616 -5.144 1.00 0.00 C ATOM 1061 OE1 GLN A 68 17.328 -6.662 -5.056 1.00 0.00 O ATOM 1062 NE2 GLN A 68 16.649 -8.528 -6.104 1.00 0.00 N ATOM 0 H GLN A 68 12.797 -9.771 -5.919 1.00 0.00 H new ATOM 0 HA GLN A 68 13.713 -9.501 -3.338 1.00 0.00 H new ATOM 0 HB2 GLN A 68 14.222 -8.373 -5.813 1.00 0.00 H new ATOM 0 HB3 GLN A 68 13.605 -7.000 -4.916 1.00 0.00 H new ATOM 0 HG2 GLN A 68 15.397 -6.939 -3.478 1.00 0.00 H new ATOM 0 HG3 GLN A 68 15.644 -8.674 -3.524 1.00 0.00 H new ATOM 0 HE21 GLN A 68 15.986 -9.302 -6.139 1.00 0.00 H new ATOM 0 HE22 GLN A 68 17.385 -8.454 -6.806 1.00 0.00 H new ATOM 1071 N ARG A 69 10.937 -7.893 -3.826 1.00 0.00 N ATOM 1072 CA ARG A 69 9.885 -7.120 -3.177 1.00 0.00 C ATOM 1073 C ARG A 69 9.056 -8.004 -2.249 1.00 0.00 C ATOM 1074 O ARG A 69 9.165 -7.912 -1.026 1.00 0.00 O ATOM 1075 CB ARG A 69 8.979 -6.471 -4.224 1.00 0.00 C ATOM 1076 CG ARG A 69 9.610 -5.276 -4.919 1.00 0.00 C ATOM 1077 CD ARG A 69 9.897 -4.149 -3.938 1.00 0.00 C ATOM 1078 NE ARG A 69 8.768 -3.900 -3.046 1.00 0.00 N ATOM 1079 CZ ARG A 69 8.876 -3.268 -1.883 1.00 0.00 C ATOM 1080 NH1 ARG A 69 10.056 -2.823 -1.473 1.00 0.00 N ATOM 1081 NH2 ARG A 69 7.802 -3.079 -1.126 1.00 0.00 N ATOM 0 H ARG A 69 10.682 -8.269 -4.740 1.00 0.00 H new ATOM 0 HA ARG A 69 10.357 -6.339 -2.582 1.00 0.00 H new ATOM 0 HB2 ARG A 69 8.712 -7.216 -4.973 1.00 0.00 H new ATOM 0 HB3 ARG A 69 8.053 -6.154 -3.744 1.00 0.00 H new ATOM 0 HG2 ARG A 69 10.537 -5.583 -5.404 1.00 0.00 H new ATOM 0 HG3 ARG A 69 8.944 -4.916 -5.703 1.00 0.00 H new ATOM 0 HD2 ARG A 69 10.778 -4.398 -3.347 1.00 0.00 H new ATOM 0 HD3 ARG A 69 10.131 -3.239 -4.490 1.00 0.00 H new ATOM 0 HE ARG A 69 7.846 -4.230 -3.332 1.00 0.00 H new ATOM 0 HH11 ARG A 69 10.884 -2.966 -2.051 1.00 0.00 H new ATOM 0 HH12 ARG A 69 10.136 -2.338 -0.579 1.00 0.00 H new ATOM 0 HH21 ARG A 69 6.892 -3.419 -1.437 1.00 0.00 H new ATOM 0 HH22 ARG A 69 7.887 -2.593 -0.233 1.00 0.00 H new ATOM 1095 N PHE A 70 8.227 -8.859 -2.839 1.00 0.00 N ATOM 1096 CA PHE A 70 7.378 -9.758 -2.066 1.00 0.00 C ATOM 1097 C PHE A 70 8.215 -10.627 -1.131 1.00 0.00 C ATOM 1098 O PHE A 70 8.079 -10.552 0.089 1.00 0.00 O ATOM 1099 CB PHE A 70 6.552 -10.643 -3.001 1.00 0.00 C ATOM 1100 CG PHE A 70 5.711 -9.867 -3.974 1.00 0.00 C ATOM 1101 CD1 PHE A 70 4.474 -9.369 -3.598 1.00 0.00 C ATOM 1102 CD2 PHE A 70 6.158 -9.636 -5.265 1.00 0.00 C ATOM 1103 CE1 PHE A 70 3.699 -8.654 -4.491 1.00 0.00 C ATOM 1104 CE2 PHE A 70 5.387 -8.922 -6.162 1.00 0.00 C ATOM 1105 CZ PHE A 70 4.155 -8.431 -5.775 1.00 0.00 C ATOM 0 H PHE A 70 8.125 -8.948 -3.850 1.00 0.00 H new ATOM 0 HA PHE A 70 6.704 -9.151 -1.462 1.00 0.00 H new ATOM 0 HB2 PHE A 70 7.224 -11.298 -3.556 1.00 0.00 H new ATOM 0 HB3 PHE A 70 5.904 -11.284 -2.403 1.00 0.00 H new ATOM 0 HD1 PHE A 70 4.111 -9.542 -2.595 1.00 0.00 H new ATOM 0 HD2 PHE A 70 7.120 -10.018 -5.574 1.00 0.00 H new ATOM 0 HE1 PHE A 70 2.737 -8.270 -4.185 1.00 0.00 H new ATOM 0 HE2 PHE A 70 5.747 -8.748 -7.165 1.00 0.00 H new ATOM 0 HZ PHE A 70 3.550 -7.874 -6.475 1.00 0.00 H new ATOM 1115 N GLU A 71 9.080 -11.450 -1.716 1.00 0.00 N ATOM 1116 CA GLU A 71 9.938 -12.334 -0.935 1.00 0.00 C ATOM 1117 C GLU A 71 10.674 -11.558 0.152 1.00 0.00 C ATOM 1118 O GLU A 71 10.656 -10.327 0.172 1.00 0.00 O ATOM 1119 CB GLU A 71 10.946 -13.038 -1.847 1.00 0.00 C ATOM 1120 CG GLU A 71 11.437 -14.367 -1.299 1.00 0.00 C ATOM 1121 CD GLU A 71 11.551 -15.433 -2.372 1.00 0.00 C ATOM 1122 OE1 GLU A 71 12.583 -15.458 -3.075 1.00 0.00 O ATOM 1123 OE2 GLU A 71 10.610 -16.242 -2.508 1.00 0.00 O ATOM 0 H GLU A 71 9.205 -11.523 -2.726 1.00 0.00 H new ATOM 0 HA GLU A 71 9.306 -13.083 -0.457 1.00 0.00 H new ATOM 0 HB2 GLU A 71 10.487 -13.204 -2.822 1.00 0.00 H new ATOM 0 HB3 GLU A 71 11.801 -12.381 -2.005 1.00 0.00 H new ATOM 0 HG2 GLU A 71 12.410 -14.225 -0.828 1.00 0.00 H new ATOM 0 HG3 GLU A 71 10.754 -14.710 -0.522 1.00 0.00 H new ATOM 1130 N SER A 72 11.321 -12.286 1.056 1.00 0.00 N ATOM 1131 CA SER A 72 12.060 -11.667 2.150 1.00 0.00 C ATOM 1132 C SER A 72 13.122 -10.710 1.615 1.00 0.00 C ATOM 1133 O SER A 72 13.205 -9.558 2.038 1.00 0.00 O ATOM 1134 CB SER A 72 12.717 -12.739 3.022 1.00 0.00 C ATOM 1135 OG SER A 72 13.033 -12.230 4.305 1.00 0.00 O ATOM 0 H SER A 72 11.348 -13.306 1.053 1.00 0.00 H new ATOM 0 HA SER A 72 11.354 -11.099 2.756 1.00 0.00 H new ATOM 0 HB2 SER A 72 12.046 -13.593 3.121 1.00 0.00 H new ATOM 0 HB3 SER A 72 13.624 -13.101 2.537 1.00 0.00 H new ATOM 0 HG SER A 72 13.450 -12.935 4.843 1.00 0.00 H new ATOM 1141 N GLY A 73 13.932 -11.198 0.681 1.00 0.00 N ATOM 1142 CA GLY A 73 14.978 -10.374 0.103 1.00 0.00 C ATOM 1143 C GLY A 73 15.784 -11.113 -0.947 1.00 0.00 C ATOM 1144 O GLY A 73 17.000 -11.254 -0.820 1.00 0.00 O ATOM 0 H GLY A 73 13.883 -12.149 0.314 1.00 0.00 H new ATOM 0 HA2 GLY A 73 14.531 -9.486 -0.345 1.00 0.00 H new ATOM 0 HA3 GLY A 73 15.645 -10.031 0.894 1.00 0.00 H new ATOM 1148 N ALA A 74 15.105 -11.586 -1.987 1.00 0.00 N ATOM 1149 CA ALA A 74 15.765 -12.314 -3.063 1.00 0.00 C ATOM 1150 C ALA A 74 16.937 -11.517 -3.626 1.00 0.00 C ATOM 1151 O ALA A 74 17.157 -10.367 -3.247 1.00 0.00 O ATOM 1152 CB ALA A 74 14.770 -12.644 -4.166 1.00 0.00 C ATOM 0 H ALA A 74 14.098 -11.478 -2.107 1.00 0.00 H new ATOM 0 HA ALA A 74 16.156 -13.245 -2.652 1.00 0.00 H new ATOM 0 HB1 ALA A 74 15.277 -13.188 -4.963 1.00 0.00 H new ATOM 0 HB2 ALA A 74 13.968 -13.260 -3.760 1.00 0.00 H new ATOM 0 HB3 ALA A 74 14.351 -11.721 -4.566 1.00 0.00 H new ATOM 1158 N ARG A 75 17.686 -12.136 -4.533 1.00 0.00 N ATOM 1159 CA ARG A 75 18.837 -11.484 -5.147 1.00 0.00 C ATOM 1160 C ARG A 75 18.668 -11.397 -6.661 1.00 0.00 C ATOM 1161 O ARG A 75 18.411 -10.323 -7.207 1.00 0.00 O ATOM 1162 CB ARG A 75 20.121 -12.244 -4.809 1.00 0.00 C ATOM 1163 CG ARG A 75 19.889 -13.703 -4.452 1.00 0.00 C ATOM 1164 CD ARG A 75 21.132 -14.542 -4.700 1.00 0.00 C ATOM 1165 NE ARG A 75 20.874 -15.969 -4.522 1.00 0.00 N ATOM 1166 CZ ARG A 75 20.210 -16.710 -5.401 1.00 0.00 C ATOM 1167 NH1 ARG A 75 19.739 -16.164 -6.513 1.00 0.00 N ATOM 1168 NH2 ARG A 75 20.015 -18.002 -5.169 1.00 0.00 N ATOM 0 H ARG A 75 17.517 -13.088 -4.859 1.00 0.00 H new ATOM 0 HA ARG A 75 18.906 -10.472 -4.747 1.00 0.00 H new ATOM 0 HB2 ARG A 75 20.800 -12.191 -5.660 1.00 0.00 H new ATOM 0 HB3 ARG A 75 20.617 -11.749 -3.974 1.00 0.00 H new ATOM 0 HG2 ARG A 75 19.600 -13.781 -3.404 1.00 0.00 H new ATOM 0 HG3 ARG A 75 19.060 -14.095 -5.041 1.00 0.00 H new ATOM 0 HD2 ARG A 75 21.494 -14.363 -5.712 1.00 0.00 H new ATOM 0 HD3 ARG A 75 21.923 -14.229 -4.018 1.00 0.00 H new ATOM 0 HE ARG A 75 21.223 -16.420 -3.677 1.00 0.00 H new ATOM 0 HH11 ARG A 75 19.886 -15.171 -6.696 1.00 0.00 H new ATOM 0 HH12 ARG A 75 19.229 -16.736 -7.186 1.00 0.00 H new ATOM 0 HH21 ARG A 75 20.375 -18.427 -4.315 1.00 0.00 H new ATOM 0 HH22 ARG A 75 19.505 -18.570 -5.845 1.00 0.00 H new ATOM 1182 N VAL A 76 18.816 -12.533 -7.335 1.00 0.00 N ATOM 1183 CA VAL A 76 18.679 -12.585 -8.785 1.00 0.00 C ATOM 1184 C VAL A 76 18.030 -13.891 -9.230 1.00 0.00 C ATOM 1185 O VAL A 76 18.612 -14.967 -9.084 1.00 0.00 O ATOM 1186 CB VAL A 76 20.045 -12.440 -9.483 1.00 0.00 C ATOM 1187 CG1 VAL A 76 19.863 -11.992 -10.925 1.00 0.00 C ATOM 1188 CG2 VAL A 76 20.931 -11.466 -8.721 1.00 0.00 C ATOM 0 H VAL A 76 19.031 -13.430 -6.899 1.00 0.00 H new ATOM 0 HA VAL A 76 18.041 -11.749 -9.073 1.00 0.00 H new ATOM 0 HB VAL A 76 20.536 -13.413 -9.490 1.00 0.00 H new ATOM 0 HG11 VAL A 76 20.838 -11.895 -11.402 1.00 0.00 H new ATOM 0 HG12 VAL A 76 19.268 -12.730 -11.463 1.00 0.00 H new ATOM 0 HG13 VAL A 76 19.352 -11.029 -10.945 1.00 0.00 H new ATOM 0 HG21 VAL A 76 21.892 -11.375 -9.228 1.00 0.00 H new ATOM 0 HG22 VAL A 76 20.448 -10.490 -8.681 1.00 0.00 H new ATOM 0 HG23 VAL A 76 21.089 -11.834 -7.707 1.00 0.00 H new ATOM 1198 N LEU A 77 16.822 -13.790 -9.773 1.00 0.00 N ATOM 1199 CA LEU A 77 16.093 -14.964 -10.240 1.00 0.00 C ATOM 1200 C LEU A 77 16.928 -15.764 -11.234 1.00 0.00 C ATOM 1201 O LEU A 77 18.053 -15.386 -11.564 1.00 0.00 O ATOM 1202 CB LEU A 77 14.773 -14.543 -10.889 1.00 0.00 C ATOM 1203 CG LEU A 77 13.634 -14.196 -9.929 1.00 0.00 C ATOM 1204 CD1 LEU A 77 12.902 -12.948 -10.399 1.00 0.00 C ATOM 1205 CD2 LEU A 77 12.669 -15.365 -9.800 1.00 0.00 C ATOM 0 H LEU A 77 16.327 -12.908 -9.901 1.00 0.00 H new ATOM 0 HA LEU A 77 15.883 -15.597 -9.378 1.00 0.00 H new ATOM 0 HB2 LEU A 77 14.963 -13.677 -11.524 1.00 0.00 H new ATOM 0 HB3 LEU A 77 14.439 -15.349 -11.542 1.00 0.00 H new ATOM 0 HG LEU A 77 14.062 -13.994 -8.947 1.00 0.00 H new ATOM 0 HD11 LEU A 77 12.095 -12.716 -9.704 1.00 0.00 H new ATOM 0 HD12 LEU A 77 13.599 -12.111 -10.438 1.00 0.00 H new ATOM 0 HD13 LEU A 77 12.487 -13.122 -11.392 1.00 0.00 H new ATOM 0 HD21 LEU A 77 11.866 -15.099 -9.113 1.00 0.00 H new ATOM 0 HD22 LEU A 77 12.248 -15.599 -10.778 1.00 0.00 H new ATOM 0 HD23 LEU A 77 13.201 -16.236 -9.417 1.00 0.00 H new ATOM 1217 N THR A 78 16.371 -16.873 -11.710 1.00 0.00 N ATOM 1218 CA THR A 78 17.063 -17.727 -12.666 1.00 0.00 C ATOM 1219 C THR A 78 17.058 -17.109 -14.060 1.00 0.00 C ATOM 1220 O THR A 78 16.627 -15.970 -14.242 1.00 0.00 O ATOM 1221 CB THR A 78 16.424 -19.127 -12.736 1.00 0.00 C ATOM 1222 OG1 THR A 78 15.123 -19.042 -13.329 1.00 0.00 O ATOM 1223 CG2 THR A 78 16.315 -19.742 -11.349 1.00 0.00 C ATOM 0 H THR A 78 15.441 -17.201 -11.448 1.00 0.00 H new ATOM 0 HA THR A 78 18.091 -17.822 -12.317 1.00 0.00 H new ATOM 0 HB THR A 78 17.062 -19.763 -13.349 1.00 0.00 H new ATOM 0 HG1 THR A 78 14.790 -19.944 -13.518 1.00 0.00 H new ATOM 0 HG21 THR A 78 15.861 -20.730 -11.424 1.00 0.00 H new ATOM 0 HG22 THR A 78 17.309 -19.832 -10.912 1.00 0.00 H new ATOM 0 HG23 THR A 78 15.696 -19.105 -10.716 1.00 0.00 H new ATOM 1231 N ALA A 79 17.539 -17.866 -15.040 1.00 0.00 N ATOM 1232 CA ALA A 79 17.586 -17.393 -16.418 1.00 0.00 C ATOM 1233 C ALA A 79 16.336 -17.810 -17.185 1.00 0.00 C ATOM 1234 O ALA A 79 16.180 -17.482 -18.362 1.00 0.00 O ATOM 1235 CB ALA A 79 18.834 -17.917 -17.113 1.00 0.00 C ATOM 0 H ALA A 79 17.902 -18.810 -14.905 1.00 0.00 H new ATOM 0 HA ALA A 79 17.623 -16.304 -16.401 1.00 0.00 H new ATOM 0 HB1 ALA A 79 18.856 -17.556 -18.141 1.00 0.00 H new ATOM 0 HB2 ALA A 79 19.720 -17.564 -16.585 1.00 0.00 H new ATOM 0 HB3 ALA A 79 18.821 -19.007 -17.111 1.00 0.00 H new ATOM 1241 N SER A 80 15.449 -18.535 -16.512 1.00 0.00 N ATOM 1242 CA SER A 80 14.214 -19.000 -17.133 1.00 0.00 C ATOM 1243 C SER A 80 13.010 -18.243 -16.581 1.00 0.00 C ATOM 1244 O SER A 80 12.143 -17.801 -17.335 1.00 0.00 O ATOM 1245 CB SER A 80 14.037 -20.502 -16.901 1.00 0.00 C ATOM 1246 OG SER A 80 14.610 -21.253 -17.957 1.00 0.00 O ATOM 0 H SER A 80 15.562 -18.813 -15.537 1.00 0.00 H new ATOM 0 HA SER A 80 14.280 -18.810 -18.204 1.00 0.00 H new ATOM 0 HB2 SER A 80 14.502 -20.784 -15.956 1.00 0.00 H new ATOM 0 HB3 SER A 80 12.976 -20.738 -16.817 1.00 0.00 H new ATOM 0 HG SER A 80 14.485 -22.209 -17.784 1.00 0.00 H new ATOM 1252 N GLU A 81 12.964 -18.099 -15.260 1.00 0.00 N ATOM 1253 CA GLU A 81 11.865 -17.396 -14.607 1.00 0.00 C ATOM 1254 C GLU A 81 11.663 -16.014 -15.221 1.00 0.00 C ATOM 1255 O GLU A 81 10.545 -15.634 -15.570 1.00 0.00 O ATOM 1256 CB GLU A 81 12.134 -17.266 -13.107 1.00 0.00 C ATOM 1257 CG GLU A 81 12.171 -18.598 -12.377 1.00 0.00 C ATOM 1258 CD GLU A 81 10.788 -19.167 -12.129 1.00 0.00 C ATOM 1259 OE1 GLU A 81 9.905 -18.978 -12.992 1.00 0.00 O ATOM 1260 OE2 GLU A 81 10.588 -19.800 -11.072 1.00 0.00 O ATOM 0 H GLU A 81 13.674 -18.459 -14.622 1.00 0.00 H new ATOM 0 HA GLU A 81 10.955 -17.977 -14.756 1.00 0.00 H new ATOM 0 HB2 GLU A 81 13.085 -16.754 -12.960 1.00 0.00 H new ATOM 0 HB3 GLU A 81 11.362 -16.638 -12.661 1.00 0.00 H new ATOM 0 HG2 GLU A 81 12.754 -19.311 -12.960 1.00 0.00 H new ATOM 0 HG3 GLU A 81 12.684 -18.471 -11.424 1.00 0.00 H new ATOM 1267 N THR A 82 12.753 -15.264 -15.348 1.00 0.00 N ATOM 1268 CA THR A 82 12.696 -13.923 -15.917 1.00 0.00 C ATOM 1269 C THR A 82 12.448 -13.973 -17.420 1.00 0.00 C ATOM 1270 O THR A 82 11.738 -13.132 -17.971 1.00 0.00 O ATOM 1271 CB THR A 82 13.998 -13.143 -15.649 1.00 0.00 C ATOM 1272 OG1 THR A 82 15.100 -13.797 -16.286 1.00 0.00 O ATOM 1273 CG2 THR A 82 14.263 -13.031 -14.155 1.00 0.00 C ATOM 0 H THR A 82 13.686 -15.562 -15.064 1.00 0.00 H new ATOM 0 HA THR A 82 11.866 -13.409 -15.432 1.00 0.00 H new ATOM 0 HB THR A 82 13.886 -12.139 -16.059 1.00 0.00 H new ATOM 0 HG1 THR A 82 15.528 -14.409 -15.652 1.00 0.00 H new ATOM 0 HG21 THR A 82 15.187 -12.477 -13.990 1.00 0.00 H new ATOM 0 HG22 THR A 82 13.435 -12.507 -13.677 1.00 0.00 H new ATOM 0 HG23 THR A 82 14.357 -14.029 -13.726 1.00 0.00 H new ATOM 1281 N LYS A 83 13.037 -14.965 -18.079 1.00 0.00 N ATOM 1282 CA LYS A 83 12.879 -15.128 -19.519 1.00 0.00 C ATOM 1283 C LYS A 83 11.415 -15.350 -19.884 1.00 0.00 C ATOM 1284 O LYS A 83 11.015 -15.165 -21.034 1.00 0.00 O ATOM 1285 CB LYS A 83 13.724 -16.303 -20.017 1.00 0.00 C ATOM 1286 CG LYS A 83 13.470 -16.662 -21.471 1.00 0.00 C ATOM 1287 CD LYS A 83 13.763 -15.491 -22.393 1.00 0.00 C ATOM 1288 CE LYS A 83 13.450 -15.831 -23.842 1.00 0.00 C ATOM 1289 NZ LYS A 83 13.714 -14.681 -24.751 1.00 0.00 N ATOM 0 H LYS A 83 13.629 -15.669 -17.638 1.00 0.00 H new ATOM 0 HA LYS A 83 13.221 -14.213 -20.002 1.00 0.00 H new ATOM 0 HB2 LYS A 83 14.779 -16.060 -19.890 1.00 0.00 H new ATOM 0 HB3 LYS A 83 13.521 -17.175 -19.395 1.00 0.00 H new ATOM 0 HG2 LYS A 83 14.093 -17.512 -21.751 1.00 0.00 H new ATOM 0 HG3 LYS A 83 12.433 -16.973 -21.594 1.00 0.00 H new ATOM 0 HD2 LYS A 83 13.173 -14.628 -22.085 1.00 0.00 H new ATOM 0 HD3 LYS A 83 14.812 -15.209 -22.303 1.00 0.00 H new ATOM 0 HE2 LYS A 83 14.052 -16.685 -24.153 1.00 0.00 H new ATOM 0 HE3 LYS A 83 12.405 -16.129 -23.928 1.00 0.00 H new ATOM 0 HZ1 LYS A 83 13.488 -14.953 -25.729 1.00 0.00 H new ATOM 0 HZ2 LYS A 83 13.121 -13.874 -24.471 1.00 0.00 H new ATOM 0 HZ3 LYS A 83 14.717 -14.412 -24.689 1.00 0.00 H new ATOM 1303 N THR A 84 10.617 -15.748 -18.897 1.00 0.00 N ATOM 1304 CA THR A 84 9.197 -15.995 -19.114 1.00 0.00 C ATOM 1305 C THR A 84 8.343 -14.937 -18.424 1.00 0.00 C ATOM 1306 O THR A 84 7.201 -15.197 -18.046 1.00 0.00 O ATOM 1307 CB THR A 84 8.785 -17.387 -18.600 1.00 0.00 C ATOM 1308 OG1 THR A 84 7.434 -17.670 -18.983 1.00 0.00 O ATOM 1309 CG2 THR A 84 8.915 -17.466 -17.087 1.00 0.00 C ATOM 0 H THR A 84 10.931 -15.906 -17.939 1.00 0.00 H new ATOM 0 HA THR A 84 9.028 -15.948 -20.190 1.00 0.00 H new ATOM 0 HB THR A 84 9.451 -18.126 -19.045 1.00 0.00 H new ATOM 0 HG1 THR A 84 6.869 -16.894 -18.786 1.00 0.00 H new ATOM 0 HG21 THR A 84 8.618 -18.458 -16.748 1.00 0.00 H new ATOM 0 HG22 THR A 84 9.950 -17.279 -16.800 1.00 0.00 H new ATOM 0 HG23 THR A 84 8.270 -16.717 -16.627 1.00 0.00 H new ATOM 1317 N PHE A 85 8.904 -13.743 -18.263 1.00 0.00 N ATOM 1318 CA PHE A 85 8.193 -12.646 -17.617 1.00 0.00 C ATOM 1319 C PHE A 85 7.744 -11.611 -18.644 1.00 0.00 C ATOM 1320 O PHE A 85 6.592 -11.175 -18.640 1.00 0.00 O ATOM 1321 CB PHE A 85 9.084 -11.983 -16.564 1.00 0.00 C ATOM 1322 CG PHE A 85 8.635 -12.237 -15.154 1.00 0.00 C ATOM 1323 CD1 PHE A 85 8.456 -13.531 -14.692 1.00 0.00 C ATOM 1324 CD2 PHE A 85 8.393 -11.181 -14.289 1.00 0.00 C ATOM 1325 CE1 PHE A 85 8.042 -13.767 -13.395 1.00 0.00 C ATOM 1326 CE2 PHE A 85 7.979 -11.411 -12.990 1.00 0.00 C ATOM 1327 CZ PHE A 85 7.805 -12.706 -12.542 1.00 0.00 C ATOM 0 H PHE A 85 9.848 -13.511 -18.571 1.00 0.00 H new ATOM 0 HA PHE A 85 7.309 -13.056 -17.129 1.00 0.00 H new ATOM 0 HB2 PHE A 85 10.105 -12.346 -16.683 1.00 0.00 H new ATOM 0 HB3 PHE A 85 9.105 -10.908 -16.742 1.00 0.00 H new ATOM 0 HD1 PHE A 85 8.642 -14.365 -15.353 1.00 0.00 H new ATOM 0 HD2 PHE A 85 8.529 -10.167 -14.634 1.00 0.00 H new ATOM 0 HE1 PHE A 85 7.904 -14.780 -13.048 1.00 0.00 H new ATOM 0 HE2 PHE A 85 7.792 -10.579 -12.327 1.00 0.00 H new ATOM 0 HZ PHE A 85 7.484 -12.889 -11.527 1.00 0.00 H new ATOM 1337 N LEU A 86 8.660 -11.221 -19.523 1.00 0.00 N ATOM 1338 CA LEU A 86 8.360 -10.236 -20.557 1.00 0.00 C ATOM 1339 C LEU A 86 8.471 -10.855 -21.947 1.00 0.00 C ATOM 1340 O LEU A 86 7.881 -10.359 -22.906 1.00 0.00 O ATOM 1341 CB LEU A 86 9.307 -9.041 -20.440 1.00 0.00 C ATOM 1342 CG LEU A 86 10.796 -9.346 -20.601 1.00 0.00 C ATOM 1343 CD1 LEU A 86 11.139 -9.579 -22.064 1.00 0.00 C ATOM 1344 CD2 LEU A 86 11.637 -8.215 -20.028 1.00 0.00 C ATOM 0 H LEU A 86 9.618 -11.572 -19.541 1.00 0.00 H new ATOM 0 HA LEU A 86 7.335 -9.894 -20.413 1.00 0.00 H new ATOM 0 HB2 LEU A 86 9.024 -8.304 -21.192 1.00 0.00 H new ATOM 0 HB3 LEU A 86 9.155 -8.577 -19.466 1.00 0.00 H new ATOM 0 HG LEU A 86 11.022 -10.257 -20.047 1.00 0.00 H new ATOM 0 HD11 LEU A 86 12.203 -9.795 -22.158 1.00 0.00 H new ATOM 0 HD12 LEU A 86 10.563 -10.423 -22.443 1.00 0.00 H new ATOM 0 HD13 LEU A 86 10.897 -8.686 -22.641 1.00 0.00 H new ATOM 0 HD21 LEU A 86 12.694 -8.449 -20.151 1.00 0.00 H new ATOM 0 HD22 LEU A 86 11.407 -7.288 -20.554 1.00 0.00 H new ATOM 0 HD23 LEU A 86 11.413 -8.096 -18.968 1.00 0.00 H new ATOM 1356 N ALA A 87 9.230 -11.941 -22.046 1.00 0.00 N ATOM 1357 CA ALA A 87 9.415 -12.630 -23.317 1.00 0.00 C ATOM 1358 C ALA A 87 8.242 -13.557 -23.615 1.00 0.00 C ATOM 1359 O ALA A 87 7.906 -13.795 -24.775 1.00 0.00 O ATOM 1360 CB ALA A 87 10.720 -13.412 -23.308 1.00 0.00 C ATOM 0 H ALA A 87 9.727 -12.363 -21.261 1.00 0.00 H new ATOM 0 HA ALA A 87 9.460 -11.879 -24.106 1.00 0.00 H new ATOM 0 HB1 ALA A 87 10.845 -13.922 -24.263 1.00 0.00 H new ATOM 0 HB2 ALA A 87 11.553 -12.727 -23.150 1.00 0.00 H new ATOM 0 HB3 ALA A 87 10.698 -14.148 -22.504 1.00 0.00 H new ATOM 1366 N ALA A 88 7.623 -14.078 -22.561 1.00 0.00 N ATOM 1367 CA ALA A 88 6.486 -14.978 -22.711 1.00 0.00 C ATOM 1368 C ALA A 88 5.312 -14.273 -23.380 1.00 0.00 C ATOM 1369 O ALA A 88 4.658 -14.834 -24.259 1.00 0.00 O ATOM 1370 CB ALA A 88 6.069 -15.531 -21.356 1.00 0.00 C ATOM 0 H ALA A 88 7.890 -13.892 -21.594 1.00 0.00 H new ATOM 0 HA ALA A 88 6.791 -15.806 -23.351 1.00 0.00 H new ATOM 0 HB1 ALA A 88 5.219 -16.201 -21.483 1.00 0.00 H new ATOM 0 HB2 ALA A 88 6.901 -16.080 -20.915 1.00 0.00 H new ATOM 0 HB3 ALA A 88 5.788 -14.709 -20.698 1.00 0.00 H new ATOM 1376 N ALA A 89 5.049 -13.040 -22.959 1.00 0.00 N ATOM 1377 CA ALA A 89 3.954 -12.258 -23.519 1.00 0.00 C ATOM 1378 C ALA A 89 4.016 -12.239 -25.043 1.00 0.00 C ATOM 1379 O ALA A 89 3.231 -12.910 -25.714 1.00 0.00 O ATOM 1380 CB ALA A 89 3.984 -10.839 -22.971 1.00 0.00 C ATOM 0 H ALA A 89 5.580 -12.561 -22.231 1.00 0.00 H new ATOM 0 HA ALA A 89 3.017 -12.730 -23.225 1.00 0.00 H new ATOM 0 HB1 ALA A 89 3.161 -10.267 -23.398 1.00 0.00 H new ATOM 0 HB2 ALA A 89 3.883 -10.866 -21.886 1.00 0.00 H new ATOM 0 HB3 ALA A 89 4.930 -10.367 -23.236 1.00 0.00 H new ATOM 1386 N ASP A 90 4.953 -11.467 -25.583 1.00 0.00 N ATOM 1387 CA ASP A 90 5.117 -11.362 -27.028 1.00 0.00 C ATOM 1388 C ASP A 90 6.321 -10.492 -27.376 1.00 0.00 C ATOM 1389 O ASP A 90 6.937 -9.887 -26.498 1.00 0.00 O ATOM 1390 CB ASP A 90 3.853 -10.783 -27.666 1.00 0.00 C ATOM 1391 CG ASP A 90 3.613 -11.319 -29.064 1.00 0.00 C ATOM 1392 OD1 ASP A 90 4.027 -12.464 -29.339 1.00 0.00 O ATOM 1393 OD2 ASP A 90 3.011 -10.592 -29.882 1.00 0.00 O ATOM 0 H ASP A 90 5.610 -10.905 -25.042 1.00 0.00 H new ATOM 0 HA ASP A 90 5.288 -12.363 -27.423 1.00 0.00 H new ATOM 0 HB2 ASP A 90 2.993 -11.016 -27.038 1.00 0.00 H new ATOM 0 HB3 ASP A 90 3.934 -9.697 -27.705 1.00 0.00 H new ATOM 1398 N HIS A 91 6.652 -10.435 -28.662 1.00 0.00 N ATOM 1399 CA HIS A 91 7.783 -9.640 -29.126 1.00 0.00 C ATOM 1400 C HIS A 91 7.406 -8.830 -30.363 1.00 0.00 C ATOM 1401 O HIS A 91 7.653 -9.253 -31.493 1.00 0.00 O ATOM 1402 CB HIS A 91 8.975 -10.545 -29.438 1.00 0.00 C ATOM 1403 CG HIS A 91 8.618 -11.745 -30.259 1.00 0.00 C ATOM 1404 ND1 HIS A 91 8.801 -11.805 -31.625 1.00 0.00 N ATOM 1405 CD2 HIS A 91 8.087 -12.937 -29.900 1.00 0.00 C ATOM 1406 CE1 HIS A 91 8.397 -12.981 -32.070 1.00 0.00 C ATOM 1407 NE2 HIS A 91 7.959 -13.687 -31.043 1.00 0.00 N ATOM 0 H HIS A 91 6.153 -10.930 -29.401 1.00 0.00 H new ATOM 0 HA HIS A 91 8.060 -8.948 -28.331 1.00 0.00 H new ATOM 0 HB2 HIS A 91 9.732 -9.966 -29.967 1.00 0.00 H new ATOM 0 HB3 HIS A 91 9.424 -10.876 -28.502 1.00 0.00 H new ATOM 0 HD2 HIS A 91 7.815 -13.242 -28.900 1.00 0.00 H new ATOM 0 HE1 HIS A 91 8.421 -13.310 -33.099 1.00 0.00 H new ATOM 0 HE2 HIS A 91 7.586 -14.635 -31.091 1.00 0.00 H new ATOM 1415 N ASP A 92 6.807 -7.665 -30.142 1.00 0.00 N ATOM 1416 CA ASP A 92 6.396 -6.796 -31.238 1.00 0.00 C ATOM 1417 C ASP A 92 7.536 -5.870 -31.653 1.00 0.00 C ATOM 1418 O ASP A 92 7.705 -5.568 -32.834 1.00 0.00 O ATOM 1419 CB ASP A 92 5.174 -5.971 -30.832 1.00 0.00 C ATOM 1420 CG ASP A 92 4.958 -4.773 -31.737 1.00 0.00 C ATOM 1421 OD1 ASP A 92 4.448 -4.963 -32.860 1.00 0.00 O ATOM 1422 OD2 ASP A 92 5.300 -3.646 -31.321 1.00 0.00 O ATOM 0 H ASP A 92 6.595 -7.301 -29.213 1.00 0.00 H new ATOM 0 HA ASP A 92 6.134 -7.424 -32.089 1.00 0.00 H new ATOM 0 HB2 ASP A 92 4.287 -6.605 -30.855 1.00 0.00 H new ATOM 0 HB3 ASP A 92 5.295 -5.629 -29.804 1.00 0.00 H new ATOM 1427 N GLY A 93 8.315 -5.422 -30.673 1.00 0.00 N ATOM 1428 CA GLY A 93 9.427 -4.534 -30.957 1.00 0.00 C ATOM 1429 C GLY A 93 10.768 -5.230 -30.842 1.00 0.00 C ATOM 1430 O GLY A 93 11.294 -5.748 -31.828 1.00 0.00 O ATOM 0 H GLY A 93 8.196 -5.658 -29.688 1.00 0.00 H new ATOM 0 HA2 GLY A 93 9.317 -4.129 -31.963 1.00 0.00 H new ATOM 0 HA3 GLY A 93 9.399 -3.690 -30.268 1.00 0.00 H new ATOM 1434 N ASP A 94 11.325 -5.243 -29.636 1.00 0.00 N ATOM 1435 CA ASP A 94 12.614 -5.880 -29.395 1.00 0.00 C ATOM 1436 C ASP A 94 12.571 -6.733 -28.131 1.00 0.00 C ATOM 1437 O ASP A 94 13.604 -7.011 -27.522 1.00 0.00 O ATOM 1438 CB ASP A 94 13.715 -4.825 -29.276 1.00 0.00 C ATOM 1439 CG ASP A 94 14.710 -4.894 -30.418 1.00 0.00 C ATOM 1440 OD1 ASP A 94 15.596 -5.773 -30.379 1.00 0.00 O ATOM 1441 OD2 ASP A 94 14.603 -4.069 -31.349 1.00 0.00 O ATOM 0 H ASP A 94 10.903 -4.819 -28.810 1.00 0.00 H new ATOM 0 HA ASP A 94 12.834 -6.529 -30.243 1.00 0.00 H new ATOM 0 HB2 ASP A 94 13.263 -3.834 -29.252 1.00 0.00 H new ATOM 0 HB3 ASP A 94 14.241 -4.959 -28.331 1.00 0.00 H new ATOM 1446 N GLY A 95 11.369 -7.145 -27.742 1.00 0.00 N ATOM 1447 CA GLY A 95 11.213 -7.961 -26.552 1.00 0.00 C ATOM 1448 C GLY A 95 10.863 -7.140 -25.327 1.00 0.00 C ATOM 1449 O GLY A 95 10.949 -7.625 -24.199 1.00 0.00 O ATOM 0 H GLY A 95 10.500 -6.928 -28.230 1.00 0.00 H new ATOM 0 HA2 GLY A 95 10.433 -8.702 -26.724 1.00 0.00 H new ATOM 0 HA3 GLY A 95 12.137 -8.508 -26.367 1.00 0.00 H new ATOM 1453 N LYS A 96 10.468 -5.890 -25.548 1.00 0.00 N ATOM 1454 CA LYS A 96 10.104 -4.998 -24.454 1.00 0.00 C ATOM 1455 C LYS A 96 8.588 -4.888 -24.323 1.00 0.00 C ATOM 1456 O LYS A 96 7.867 -4.910 -25.321 1.00 0.00 O ATOM 1457 CB LYS A 96 10.710 -3.610 -24.677 1.00 0.00 C ATOM 1458 CG LYS A 96 10.206 -2.922 -25.934 1.00 0.00 C ATOM 1459 CD LYS A 96 11.250 -1.980 -26.510 1.00 0.00 C ATOM 1460 CE LYS A 96 11.053 -1.777 -28.004 1.00 0.00 C ATOM 1461 NZ LYS A 96 11.716 -0.534 -28.487 1.00 0.00 N ATOM 0 H LYS A 96 10.392 -5.472 -26.475 1.00 0.00 H new ATOM 0 HA LYS A 96 10.501 -5.417 -23.529 1.00 0.00 H new ATOM 0 HB2 LYS A 96 10.486 -2.982 -23.815 1.00 0.00 H new ATOM 0 HB3 LYS A 96 11.795 -3.701 -24.732 1.00 0.00 H new ATOM 0 HG2 LYS A 96 9.941 -3.672 -26.679 1.00 0.00 H new ATOM 0 HG3 LYS A 96 9.298 -2.364 -25.706 1.00 0.00 H new ATOM 0 HD2 LYS A 96 11.194 -1.018 -26.001 1.00 0.00 H new ATOM 0 HD3 LYS A 96 12.246 -2.382 -26.324 1.00 0.00 H new ATOM 0 HE2 LYS A 96 11.454 -2.635 -28.543 1.00 0.00 H new ATOM 0 HE3 LYS A 96 9.987 -1.730 -28.227 1.00 0.00 H new ATOM 0 HZ1 LYS A 96 11.559 -0.432 -29.510 1.00 0.00 H new ATOM 0 HZ2 LYS A 96 11.316 0.288 -27.991 1.00 0.00 H new ATOM 0 HZ3 LYS A 96 12.737 -0.589 -28.298 1.00 0.00 H new ATOM 1475 N ILE A 97 8.112 -4.768 -23.089 1.00 0.00 N ATOM 1476 CA ILE A 97 6.683 -4.651 -22.829 1.00 0.00 C ATOM 1477 C ILE A 97 6.208 -3.213 -23.005 1.00 0.00 C ATOM 1478 O ILE A 97 6.938 -2.267 -22.712 1.00 0.00 O ATOM 1479 CB ILE A 97 6.328 -5.128 -21.408 1.00 0.00 C ATOM 1480 CG1 ILE A 97 6.854 -6.545 -21.176 1.00 0.00 C ATOM 1481 CG2 ILE A 97 4.823 -5.073 -21.192 1.00 0.00 C ATOM 1482 CD1 ILE A 97 6.285 -7.566 -22.136 1.00 0.00 C ATOM 0 H ILE A 97 8.696 -4.749 -22.253 1.00 0.00 H new ATOM 0 HA ILE A 97 6.177 -5.289 -23.554 1.00 0.00 H new ATOM 0 HB ILE A 97 6.803 -4.462 -20.687 1.00 0.00 H new ATOM 0 HG12 ILE A 97 7.940 -6.540 -21.266 1.00 0.00 H new ATOM 0 HG13 ILE A 97 6.620 -6.848 -20.155 1.00 0.00 H new ATOM 0 HG21 ILE A 97 4.588 -5.413 -20.184 1.00 0.00 H new ATOM 0 HG22 ILE A 97 4.474 -4.048 -21.320 1.00 0.00 H new ATOM 0 HG23 ILE A 97 4.327 -5.718 -21.917 1.00 0.00 H new ATOM 0 HD11 ILE A 97 6.702 -8.548 -21.912 1.00 0.00 H new ATOM 0 HD12 ILE A 97 5.201 -7.600 -22.030 1.00 0.00 H new ATOM 0 HD13 ILE A 97 6.541 -7.287 -23.158 1.00 0.00 H new ATOM 1494 N GLY A 98 4.977 -3.056 -23.483 1.00 0.00 N ATOM 1495 CA GLY A 98 4.424 -1.730 -23.688 1.00 0.00 C ATOM 1496 C GLY A 98 3.259 -1.439 -22.763 1.00 0.00 C ATOM 1497 O GLY A 98 2.286 -0.799 -23.162 1.00 0.00 O ATOM 0 H GLY A 98 4.353 -3.824 -23.732 1.00 0.00 H new ATOM 0 HA2 GLY A 98 5.204 -0.986 -23.530 1.00 0.00 H new ATOM 0 HA3 GLY A 98 4.096 -1.633 -24.723 1.00 0.00 H new ATOM 1501 N ALA A 99 3.356 -1.911 -21.525 1.00 0.00 N ATOM 1502 CA ALA A 99 2.302 -1.697 -20.541 1.00 0.00 C ATOM 1503 C ALA A 99 0.951 -2.165 -21.073 1.00 0.00 C ATOM 1504 O ALA A 99 -0.094 -1.655 -20.671 1.00 0.00 O ATOM 1505 CB ALA A 99 2.237 -0.229 -20.148 1.00 0.00 C ATOM 0 H ALA A 99 4.154 -2.444 -21.179 1.00 0.00 H new ATOM 0 HA ALA A 99 2.539 -2.288 -19.656 1.00 0.00 H new ATOM 0 HB1 ALA A 99 1.446 -0.084 -19.413 1.00 0.00 H new ATOM 0 HB2 ALA A 99 3.192 0.075 -19.719 1.00 0.00 H new ATOM 0 HB3 ALA A 99 2.027 0.375 -21.031 1.00 0.00 H new ATOM 1511 N GLU A 100 0.982 -3.137 -21.979 1.00 0.00 N ATOM 1512 CA GLU A 100 -0.241 -3.671 -22.566 1.00 0.00 C ATOM 1513 C GLU A 100 -0.153 -5.187 -22.722 1.00 0.00 C ATOM 1514 O GLU A 100 -1.140 -5.898 -22.534 1.00 0.00 O ATOM 1515 CB GLU A 100 -0.505 -3.023 -23.927 1.00 0.00 C ATOM 1516 CG GLU A 100 0.626 -3.216 -24.923 1.00 0.00 C ATOM 1517 CD GLU A 100 0.601 -2.190 -26.039 1.00 0.00 C ATOM 1518 OE1 GLU A 100 -0.493 -1.935 -26.586 1.00 0.00 O ATOM 1519 OE2 GLU A 100 1.675 -1.642 -26.367 1.00 0.00 O ATOM 0 H GLU A 100 1.839 -3.570 -22.322 1.00 0.00 H new ATOM 0 HA GLU A 100 -1.067 -3.439 -21.894 1.00 0.00 H new ATOM 0 HB2 GLU A 100 -1.422 -3.438 -24.346 1.00 0.00 H new ATOM 0 HB3 GLU A 100 -0.675 -1.956 -23.785 1.00 0.00 H new ATOM 0 HG2 GLU A 100 1.580 -3.155 -24.400 1.00 0.00 H new ATOM 0 HG3 GLU A 100 0.561 -4.216 -25.352 1.00 0.00 H new ATOM 1526 N GLU A 101 1.035 -5.673 -23.065 1.00 0.00 N ATOM 1527 CA GLU A 101 1.252 -7.103 -23.247 1.00 0.00 C ATOM 1528 C GLU A 101 1.206 -7.835 -21.909 1.00 0.00 C ATOM 1529 O GLU A 101 0.350 -8.691 -21.686 1.00 0.00 O ATOM 1530 CB GLU A 101 2.596 -7.355 -23.933 1.00 0.00 C ATOM 1531 CG GLU A 101 2.554 -7.174 -25.441 1.00 0.00 C ATOM 1532 CD GLU A 101 1.584 -8.125 -26.115 1.00 0.00 C ATOM 1533 OE1 GLU A 101 1.130 -9.080 -25.452 1.00 0.00 O ATOM 1534 OE2 GLU A 101 1.279 -7.913 -27.308 1.00 0.00 O ATOM 0 H GLU A 101 1.862 -5.097 -23.223 1.00 0.00 H new ATOM 0 HA GLU A 101 0.452 -7.488 -23.880 1.00 0.00 H new ATOM 0 HB2 GLU A 101 3.340 -6.677 -23.515 1.00 0.00 H new ATOM 0 HB3 GLU A 101 2.925 -8.369 -23.706 1.00 0.00 H new ATOM 0 HG2 GLU A 101 2.271 -6.147 -25.672 1.00 0.00 H new ATOM 0 HG3 GLU A 101 3.552 -7.329 -25.850 1.00 0.00 H new ATOM 1541 N PHE A 102 2.133 -7.491 -21.021 1.00 0.00 N ATOM 1542 CA PHE A 102 2.201 -8.116 -19.705 1.00 0.00 C ATOM 1543 C PHE A 102 0.841 -8.075 -19.014 1.00 0.00 C ATOM 1544 O PHE A 102 0.306 -9.109 -18.614 1.00 0.00 O ATOM 1545 CB PHE A 102 3.248 -7.415 -18.838 1.00 0.00 C ATOM 1546 CG PHE A 102 3.440 -8.057 -17.494 1.00 0.00 C ATOM 1547 CD1 PHE A 102 2.567 -7.788 -16.452 1.00 0.00 C ATOM 1548 CD2 PHE A 102 4.494 -8.928 -17.272 1.00 0.00 C ATOM 1549 CE1 PHE A 102 2.741 -8.377 -15.214 1.00 0.00 C ATOM 1550 CE2 PHE A 102 4.673 -9.521 -16.036 1.00 0.00 C ATOM 1551 CZ PHE A 102 3.796 -9.244 -15.005 1.00 0.00 C ATOM 0 H PHE A 102 2.848 -6.783 -21.189 1.00 0.00 H new ATOM 0 HA PHE A 102 2.490 -9.158 -19.839 1.00 0.00 H new ATOM 0 HB2 PHE A 102 4.201 -7.407 -19.368 1.00 0.00 H new ATOM 0 HB3 PHE A 102 2.954 -6.375 -18.696 1.00 0.00 H new ATOM 0 HD1 PHE A 102 1.741 -7.110 -16.609 1.00 0.00 H new ATOM 0 HD2 PHE A 102 5.184 -9.146 -18.074 1.00 0.00 H new ATOM 0 HE1 PHE A 102 2.053 -8.160 -14.411 1.00 0.00 H new ATOM 0 HE2 PHE A 102 5.498 -10.200 -15.877 1.00 0.00 H new ATOM 0 HZ PHE A 102 3.935 -9.704 -14.038 1.00 0.00 H new ATOM 1561 N GLN A 103 0.290 -6.873 -18.876 1.00 0.00 N ATOM 1562 CA GLN A 103 -1.006 -6.697 -18.232 1.00 0.00 C ATOM 1563 C GLN A 103 -2.052 -7.618 -18.852 1.00 0.00 C ATOM 1564 O GLN A 103 -2.763 -8.330 -18.145 1.00 0.00 O ATOM 1565 CB GLN A 103 -1.461 -5.241 -18.342 1.00 0.00 C ATOM 1566 CG GLN A 103 -0.749 -4.307 -17.377 1.00 0.00 C ATOM 1567 CD GLN A 103 0.748 -4.255 -17.611 1.00 0.00 C ATOM 1568 OE1 GLN A 103 1.538 -4.349 -16.671 1.00 0.00 O ATOM 1569 NE2 GLN A 103 1.146 -4.106 -18.869 1.00 0.00 N ATOM 0 H GLN A 103 0.721 -6.008 -19.201 1.00 0.00 H new ATOM 0 HA GLN A 103 -0.898 -6.957 -17.179 1.00 0.00 H new ATOM 0 HB2 GLN A 103 -1.294 -4.893 -19.361 1.00 0.00 H new ATOM 0 HB3 GLN A 103 -2.534 -5.190 -18.159 1.00 0.00 H new ATOM 0 HG2 GLN A 103 -1.163 -3.304 -17.476 1.00 0.00 H new ATOM 0 HG3 GLN A 103 -0.942 -4.632 -16.354 1.00 0.00 H new ATOM 0 HE21 GLN A 103 0.456 -4.032 -19.617 1.00 0.00 H new ATOM 0 HE22 GLN A 103 2.141 -4.065 -19.088 1.00 0.00 H new ATOM 1578 N GLU A 104 -2.140 -7.596 -20.179 1.00 0.00 N ATOM 1579 CA GLU A 104 -3.100 -8.428 -20.894 1.00 0.00 C ATOM 1580 C GLU A 104 -2.955 -9.893 -20.492 1.00 0.00 C ATOM 1581 O GLU A 104 -3.940 -10.562 -20.178 1.00 0.00 O ATOM 1582 CB GLU A 104 -2.911 -8.281 -22.405 1.00 0.00 C ATOM 1583 CG GLU A 104 -3.742 -7.165 -23.016 1.00 0.00 C ATOM 1584 CD GLU A 104 -3.510 -7.016 -24.507 1.00 0.00 C ATOM 1585 OE1 GLU A 104 -2.716 -7.801 -25.066 1.00 0.00 O ATOM 1586 OE2 GLU A 104 -4.123 -6.113 -25.116 1.00 0.00 O ATOM 0 H GLU A 104 -1.558 -7.011 -20.779 1.00 0.00 H new ATOM 0 HA GLU A 104 -4.102 -8.093 -20.627 1.00 0.00 H new ATOM 0 HB2 GLU A 104 -1.858 -8.095 -22.615 1.00 0.00 H new ATOM 0 HB3 GLU A 104 -3.171 -9.223 -22.889 1.00 0.00 H new ATOM 0 HG2 GLU A 104 -4.798 -7.362 -22.834 1.00 0.00 H new ATOM 0 HG3 GLU A 104 -3.503 -6.225 -22.519 1.00 0.00 H new ATOM 1593 N MET A 105 -1.721 -10.385 -20.506 1.00 0.00 N ATOM 1594 CA MET A 105 -1.447 -11.771 -20.143 1.00 0.00 C ATOM 1595 C MET A 105 -2.065 -12.111 -18.791 1.00 0.00 C ATOM 1596 O MET A 105 -2.382 -13.269 -18.516 1.00 0.00 O ATOM 1597 CB MET A 105 0.062 -12.022 -20.105 1.00 0.00 C ATOM 1598 CG MET A 105 0.473 -13.105 -19.121 1.00 0.00 C ATOM 1599 SD MET A 105 2.202 -13.584 -19.299 1.00 0.00 S ATOM 1600 CE MET A 105 2.985 -11.981 -19.448 1.00 0.00 C ATOM 0 H MET A 105 -0.895 -9.845 -20.765 1.00 0.00 H new ATOM 0 HA MET A 105 -1.896 -12.414 -20.900 1.00 0.00 H new ATOM 0 HB2 MET A 105 0.401 -12.301 -21.103 1.00 0.00 H new ATOM 0 HB3 MET A 105 0.570 -11.094 -19.844 1.00 0.00 H new ATOM 0 HG2 MET A 105 0.301 -12.751 -18.104 1.00 0.00 H new ATOM 0 HG3 MET A 105 -0.160 -13.981 -19.265 1.00 0.00 H new ATOM 0 HE1 MET A 105 4.067 -12.107 -19.494 1.00 0.00 H new ATOM 0 HE2 MET A 105 2.638 -11.490 -20.357 1.00 0.00 H new ATOM 0 HE3 MET A 105 2.727 -11.369 -18.584 1.00 0.00 H new ATOM 1610 N VAL A 106 -2.233 -11.096 -17.950 1.00 0.00 N ATOM 1611 CA VAL A 106 -2.814 -11.288 -16.626 1.00 0.00 C ATOM 1612 C VAL A 106 -4.334 -11.375 -16.701 1.00 0.00 C ATOM 1613 O VAL A 106 -4.920 -12.419 -16.416 1.00 0.00 O ATOM 1614 CB VAL A 106 -2.423 -10.145 -15.671 1.00 0.00 C ATOM 1615 CG1 VAL A 106 -2.883 -10.452 -14.254 1.00 0.00 C ATOM 1616 CG2 VAL A 106 -0.921 -9.907 -15.712 1.00 0.00 C ATOM 0 H VAL A 106 -1.975 -10.132 -18.162 1.00 0.00 H new ATOM 0 HA VAL A 106 -2.418 -12.227 -16.239 1.00 0.00 H new ATOM 0 HB VAL A 106 -2.922 -9.233 -16.000 1.00 0.00 H new ATOM 0 HG11 VAL A 106 -2.598 -9.633 -13.593 1.00 0.00 H new ATOM 0 HG12 VAL A 106 -3.967 -10.569 -14.240 1.00 0.00 H new ATOM 0 HG13 VAL A 106 -2.415 -11.375 -13.911 1.00 0.00 H new ATOM 0 HG21 VAL A 106 -0.662 -9.096 -15.031 1.00 0.00 H new ATOM 0 HG22 VAL A 106 -0.400 -10.815 -15.409 1.00 0.00 H new ATOM 0 HG23 VAL A 106 -0.623 -9.639 -16.726 1.00 0.00 H new ATOM 1626 N GLN A 107 -4.967 -10.271 -17.086 1.00 0.00 N ATOM 1627 CA GLN A 107 -6.420 -10.224 -17.197 1.00 0.00 C ATOM 1628 C GLN A 107 -6.936 -11.355 -18.080 1.00 0.00 C ATOM 1629 O GLN A 107 -8.061 -11.825 -17.911 1.00 0.00 O ATOM 1630 CB GLN A 107 -6.865 -8.874 -17.764 1.00 0.00 C ATOM 1631 CG GLN A 107 -6.036 -8.410 -18.951 1.00 0.00 C ATOM 1632 CD GLN A 107 -6.629 -7.196 -19.638 1.00 0.00 C ATOM 1633 OE1 GLN A 107 -6.684 -7.128 -20.866 1.00 0.00 O ATOM 1634 NE2 GLN A 107 -7.078 -6.228 -18.847 1.00 0.00 N ATOM 0 H GLN A 107 -4.497 -9.398 -17.326 1.00 0.00 H new ATOM 0 HA GLN A 107 -6.840 -10.348 -16.199 1.00 0.00 H new ATOM 0 HB2 GLN A 107 -7.910 -8.943 -18.066 1.00 0.00 H new ATOM 0 HB3 GLN A 107 -6.809 -8.122 -16.977 1.00 0.00 H new ATOM 0 HG2 GLN A 107 -5.026 -8.175 -18.614 1.00 0.00 H new ATOM 0 HG3 GLN A 107 -5.951 -9.224 -19.670 1.00 0.00 H new ATOM 0 HE21 GLN A 107 -7.013 -6.326 -17.834 1.00 0.00 H new ATOM 0 HE22 GLN A 107 -7.488 -5.387 -19.253 1.00 0.00 H new ATOM 1643 N SER A 108 -6.105 -11.788 -19.024 1.00 0.00 N ATOM 1644 CA SER A 108 -6.479 -12.862 -19.937 1.00 0.00 C ATOM 1645 C SER A 108 -5.568 -14.072 -19.754 1.00 0.00 C ATOM 1646 O SER A 108 -5.595 -15.007 -20.552 1.00 0.00 O ATOM 1647 CB SER A 108 -6.413 -12.374 -21.386 1.00 0.00 C ATOM 1648 OG SER A 108 -6.801 -13.397 -22.286 1.00 0.00 O ATOM 0 H SER A 108 -5.169 -11.412 -19.176 1.00 0.00 H new ATOM 0 HA SER A 108 -7.502 -13.161 -19.708 1.00 0.00 H new ATOM 0 HB2 SER A 108 -7.064 -11.509 -21.512 1.00 0.00 H new ATOM 0 HB3 SER A 108 -5.399 -12.047 -21.617 1.00 0.00 H new ATOM 0 HG SER A 108 -6.480 -14.262 -21.956 1.00 0.00 H new TER 1654 SER A 108