USER MOD reduce.3.24.130724 H: found=0, std=0, add=743, rem=0, adj=14 USER MOD reduce.3.24.130724 removed 739 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 68 CYS SG : rot 138:sc= -1.4 USER MOD Set 1.2: A 74 THR OG1 : rot 102:sc= -2.98! USER MOD Set 2.1: A 38 SER OG : rot -91:sc= 0.953! USER MOD Set 2.2: A 40 CYS SG : rot -121:sc= -1.64! USER MOD Set 2.3: A 42 SER OG : rot 180:sc= 0.0439 USER MOD Single : A 1 ALA N :NH3+ -113:sc= 0.103 (180deg=0) USER MOD Single : A 2 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 3 THR OG1 : rot 68:sc= 0.702 USER MOD Single : A 8 HIS : no HE2:sc= -14.2! C(o=-14!,f=-14!) USER MOD Single : A 12 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 15 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 23 GLN : amide:sc= -0.0638 K(o=-0.064,f=-1.1) USER MOD Single : A 25 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 26 ASN : amide:sc= -0.258 K(o=-0.26,f=-2!) USER MOD Single : A 32 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 35 LYS NZ :NH3+ 148:sc= 0 (180deg=-0.0051) USER MOD Single : A 36 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 37 HIS : no HD1:sc= -3! X(o=-3!,f=-2.5) USER MOD Single : A 44 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 54 GLN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 56 GLN : amide:sc= -4.74! C(o=-4.7!,f=-6.4!) USER MOD Single : A 57 MET CE :methyl 136:sc= -0.27 (180deg=-1.29!) USER MOD Single : A 63 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 67 SER OG : rot 180:sc= 0 USER MOD Single : A 78 HIS : no HD1:sc= 0 X(o=0,f=0) USER MOD Single : A 79 THR OG1 : rot 180:sc= 0 USER MOD Single : A 80 GLN : amide:sc= 0 X(o=0,f=-0.31) USER MOD Single : A 83 TYR OH : rot -30:sc= -2.9 USER MOD Single : A 84 HIS : no HD1:sc= -6.15! C(o=-6.1!,f=-4.4!) USER MOD Single : A 87 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 90 TYR OH : rot 180:sc= 0 USER MOD Single : A 92 ASN : amide:sc= -0.857 K(o=-0.86,f=0) USER MOD ----------------------------------------------------------------- ATOM 1 N ALA A 1 -15.392 1.503 -4.578 1.00 0.00 N ATOM 2 CA ALA A 1 -16.329 0.509 -3.978 1.00 0.00 C ATOM 3 C ALA A 1 -16.826 1.004 -2.616 1.00 0.00 C ATOM 4 O ALA A 1 -16.321 1.966 -2.072 1.00 0.00 O ATOM 5 CB ALA A 1 -15.503 -0.768 -3.816 1.00 0.00 C ATOM 0 H1 ALA A 1 -15.825 1.920 -5.427 1.00 0.00 H new ATOM 0 H2 ALA A 1 -15.193 2.254 -3.886 1.00 0.00 H new ATOM 0 H3 ALA A 1 -14.504 1.029 -4.840 1.00 0.00 H new ATOM 0 HA ALA A 1 -17.211 0.348 -4.598 1.00 0.00 H new ATOM 0 HB1 ALA A 1 -16.124 -1.550 -3.379 1.00 0.00 H new ATOM 0 HB2 ALA A 1 -15.142 -1.094 -4.791 1.00 0.00 H new ATOM 0 HB3 ALA A 1 -14.653 -0.571 -3.162 1.00 0.00 H new ATOM 13 N LYS A 2 -17.816 0.356 -2.067 1.00 0.00 N ATOM 14 CA LYS A 2 -18.354 0.788 -0.744 1.00 0.00 C ATOM 15 C LYS A 2 -17.301 0.571 0.338 1.00 0.00 C ATOM 16 O LYS A 2 -17.120 1.378 1.229 1.00 0.00 O ATOM 17 CB LYS A 2 -19.546 -0.130 -0.497 1.00 0.00 C ATOM 18 CG LYS A 2 -20.552 0.053 -1.626 1.00 0.00 C ATOM 19 CD LYS A 2 -21.858 -0.661 -1.274 1.00 0.00 C ATOM 20 CE LYS A 2 -22.901 -0.373 -2.357 1.00 0.00 C ATOM 21 NZ LYS A 2 -23.847 0.591 -1.727 1.00 0.00 N ATOM 0 H LYS A 2 -18.277 -0.456 -2.478 1.00 0.00 H new ATOM 0 HA LYS A 2 -18.629 1.843 -0.728 1.00 0.00 H new ATOM 0 HB2 LYS A 2 -19.218 -1.168 -0.449 1.00 0.00 H new ATOM 0 HB3 LYS A 2 -20.009 0.103 0.462 1.00 0.00 H new ATOM 0 HG2 LYS A 2 -20.739 1.114 -1.791 1.00 0.00 H new ATOM 0 HG3 LYS A 2 -20.147 -0.347 -2.555 1.00 0.00 H new ATOM 0 HD2 LYS A 2 -21.688 -1.735 -1.193 1.00 0.00 H new ATOM 0 HD3 LYS A 2 -22.221 -0.322 -0.304 1.00 0.00 H new ATOM 0 HE2 LYS A 2 -22.439 0.051 -3.248 1.00 0.00 H new ATOM 0 HE3 LYS A 2 -23.412 -1.285 -2.666 1.00 0.00 H new ATOM 0 HZ1 LYS A 2 -24.594 0.839 -2.407 1.00 0.00 H new ATOM 0 HZ2 LYS A 2 -24.276 0.157 -0.885 1.00 0.00 H new ATOM 0 HZ3 LYS A 2 -23.332 1.451 -1.449 1.00 0.00 H new ATOM 35 N THR A 3 -16.607 -0.519 0.249 1.00 0.00 N ATOM 36 CA THR A 3 -15.544 -0.828 1.253 1.00 0.00 C ATOM 37 C THR A 3 -14.561 -1.849 0.676 1.00 0.00 C ATOM 38 O THR A 3 -14.866 -2.546 -0.272 1.00 0.00 O ATOM 39 CB THR A 3 -16.283 -1.403 2.469 1.00 0.00 C ATOM 40 OG1 THR A 3 -15.342 -1.979 3.363 1.00 0.00 O ATOM 41 CG2 THR A 3 -17.280 -2.474 2.023 1.00 0.00 C ATOM 0 H THR A 3 -16.726 -1.221 -0.481 1.00 0.00 H new ATOM 0 HA THR A 3 -14.963 0.054 1.524 1.00 0.00 H new ATOM 0 HB THR A 3 -16.824 -0.599 2.968 1.00 0.00 H new ATOM 0 HG1 THR A 3 -14.788 -1.272 3.755 1.00 0.00 H new ATOM 0 HG21 THR A 3 -17.798 -2.874 2.894 1.00 0.00 H new ATOM 0 HG22 THR A 3 -18.006 -2.033 1.340 1.00 0.00 H new ATOM 0 HG23 THR A 3 -16.747 -3.279 1.516 1.00 0.00 H new ATOM 49 N ALA A 4 -13.352 -1.872 1.169 1.00 0.00 N ATOM 50 CA ALA A 4 -12.326 -2.769 0.559 1.00 0.00 C ATOM 51 C ALA A 4 -11.291 -3.192 1.603 1.00 0.00 C ATOM 52 O ALA A 4 -10.959 -2.442 2.496 1.00 0.00 O ATOM 53 CB ALA A 4 -11.665 -1.919 -0.527 1.00 0.00 C ATOM 0 H ALA A 4 -13.031 -1.314 1.961 1.00 0.00 H new ATOM 0 HA ALA A 4 -12.765 -3.685 0.163 1.00 0.00 H new ATOM 0 HB1 ALA A 4 -10.894 -2.504 -1.028 1.00 0.00 H new ATOM 0 HB2 ALA A 4 -12.416 -1.609 -1.254 1.00 0.00 H new ATOM 0 HB3 ALA A 4 -11.213 -1.037 -0.074 1.00 0.00 H new ATOM 59 N ALA A 5 -10.658 -4.316 1.398 1.00 0.00 N ATOM 60 CA ALA A 5 -9.509 -4.688 2.270 1.00 0.00 C ATOM 61 C ALA A 5 -8.206 -4.394 1.533 1.00 0.00 C ATOM 62 O ALA A 5 -8.102 -4.602 0.343 1.00 0.00 O ATOM 63 CB ALA A 5 -9.655 -6.189 2.515 1.00 0.00 C ATOM 0 H ALA A 5 -10.886 -4.990 0.667 1.00 0.00 H new ATOM 0 HA ALA A 5 -9.496 -4.131 3.207 1.00 0.00 H new ATOM 0 HB1 ALA A 5 -8.841 -6.535 3.152 1.00 0.00 H new ATOM 0 HB2 ALA A 5 -10.608 -6.387 3.005 1.00 0.00 H new ATOM 0 HB3 ALA A 5 -9.620 -6.718 1.563 1.00 0.00 H new ATOM 69 N ALA A 6 -7.219 -3.886 2.210 1.00 0.00 N ATOM 70 CA ALA A 6 -5.946 -3.562 1.499 1.00 0.00 C ATOM 71 C ALA A 6 -4.771 -3.476 2.475 1.00 0.00 C ATOM 72 O ALA A 6 -4.921 -3.080 3.613 1.00 0.00 O ATOM 73 CB ALA A 6 -6.197 -2.205 0.839 1.00 0.00 C ATOM 0 H ALA A 6 -7.232 -3.682 3.209 1.00 0.00 H new ATOM 0 HA ALA A 6 -5.682 -4.333 0.775 1.00 0.00 H new ATOM 0 HB1 ALA A 6 -5.305 -1.895 0.294 1.00 0.00 H new ATOM 0 HB2 ALA A 6 -7.035 -2.286 0.147 1.00 0.00 H new ATOM 0 HB3 ALA A 6 -6.430 -1.465 1.605 1.00 0.00 H new ATOM 79 N LEU A 7 -3.582 -3.710 1.986 1.00 0.00 N ATOM 80 CA LEU A 7 -2.368 -3.492 2.828 1.00 0.00 C ATOM 81 C LEU A 7 -1.602 -2.278 2.299 1.00 0.00 C ATOM 82 O LEU A 7 -1.676 -1.966 1.130 1.00 0.00 O ATOM 83 CB LEU A 7 -1.536 -4.765 2.672 1.00 0.00 C ATOM 84 CG LEU A 7 -2.349 -5.967 3.155 1.00 0.00 C ATOM 85 CD1 LEU A 7 -1.506 -7.239 3.032 1.00 0.00 C ATOM 86 CD2 LEU A 7 -2.751 -5.756 4.615 1.00 0.00 C ATOM 0 H LEU A 7 -3.398 -4.043 1.039 1.00 0.00 H new ATOM 0 HA LEU A 7 -2.608 -3.301 3.874 1.00 0.00 H new ATOM 0 HB2 LEU A 7 -1.251 -4.901 1.629 1.00 0.00 H new ATOM 0 HB3 LEU A 7 -0.613 -4.682 3.246 1.00 0.00 H new ATOM 0 HG LEU A 7 -3.246 -6.069 2.544 1.00 0.00 H new ATOM 0 HD11 LEU A 7 -2.086 -8.095 3.377 1.00 0.00 H new ATOM 0 HD12 LEU A 7 -1.223 -7.388 1.990 1.00 0.00 H new ATOM 0 HD13 LEU A 7 -0.608 -7.141 3.642 1.00 0.00 H new ATOM 0 HD21 LEU A 7 -3.331 -6.612 4.960 1.00 0.00 H new ATOM 0 HD22 LEU A 7 -1.855 -5.653 5.228 1.00 0.00 H new ATOM 0 HD23 LEU A 7 -3.354 -4.852 4.699 1.00 0.00 H new ATOM 98 N HIS A 8 -0.909 -1.559 3.140 1.00 0.00 N ATOM 99 CA HIS A 8 -0.204 -0.340 2.641 1.00 0.00 C ATOM 100 C HIS A 8 1.205 -0.232 3.226 1.00 0.00 C ATOM 101 O HIS A 8 1.386 -0.190 4.426 1.00 0.00 O ATOM 102 CB HIS A 8 -1.058 0.843 3.104 1.00 0.00 C ATOM 103 CG HIS A 8 -2.429 0.748 2.496 1.00 0.00 C ATOM 104 ND1 HIS A 8 -2.846 1.594 1.481 1.00 0.00 N ATOM 105 CD2 HIS A 8 -3.490 -0.085 2.750 1.00 0.00 C ATOM 106 CE1 HIS A 8 -4.108 1.255 1.164 1.00 0.00 C ATOM 107 NE2 HIS A 8 -4.549 0.238 1.908 1.00 0.00 N ATOM 0 H HIS A 8 -0.800 -1.757 4.135 1.00 0.00 H new ATOM 0 HA HIS A 8 -0.089 -0.369 1.558 1.00 0.00 H new ATOM 0 HB2 HIS A 8 -1.132 0.847 4.192 1.00 0.00 H new ATOM 0 HB3 HIS A 8 -0.585 1.781 2.813 1.00 0.00 H new ATOM 0 HD1 HIS A 8 -2.296 2.338 1.052 1.00 0.00 H new ATOM 0 HD2 HIS A 8 -3.501 -0.871 3.490 1.00 0.00 H new ATOM 0 HE1 HIS A 8 -4.694 1.746 0.401 1.00 0.00 H new ATOM 115 N ILE A 9 2.166 0.048 2.389 1.00 0.00 N ATOM 116 CA ILE A 9 3.512 0.427 2.903 1.00 0.00 C ATOM 117 C ILE A 9 3.872 1.831 2.413 1.00 0.00 C ATOM 118 O ILE A 9 3.943 2.085 1.226 1.00 0.00 O ATOM 119 CB ILE A 9 4.483 -0.602 2.325 1.00 0.00 C ATOM 120 CG1 ILE A 9 4.092 -2.006 2.790 1.00 0.00 C ATOM 121 CG2 ILE A 9 5.903 -0.282 2.799 1.00 0.00 C ATOM 122 CD1 ILE A 9 4.931 -3.041 2.038 1.00 0.00 C ATOM 0 H ILE A 9 2.077 0.031 1.373 1.00 0.00 H new ATOM 0 HA ILE A 9 3.546 0.437 3.992 1.00 0.00 H new ATOM 0 HB ILE A 9 4.443 -0.563 1.236 1.00 0.00 H new ATOM 0 HG12 ILE A 9 4.251 -2.103 3.864 1.00 0.00 H new ATOM 0 HG13 ILE A 9 3.031 -2.179 2.608 1.00 0.00 H new ATOM 0 HG21 ILE A 9 6.598 -1.015 2.388 1.00 0.00 H new ATOM 0 HG22 ILE A 9 6.184 0.715 2.459 1.00 0.00 H new ATOM 0 HG23 ILE A 9 5.940 -0.318 3.888 1.00 0.00 H new ATOM 0 HD11 ILE A 9 4.654 -4.042 2.368 1.00 0.00 H new ATOM 0 HD12 ILE A 9 4.749 -2.948 0.967 1.00 0.00 H new ATOM 0 HD13 ILE A 9 5.988 -2.871 2.243 1.00 0.00 H new ATOM 134 N LEU A 10 4.115 2.736 3.318 1.00 0.00 N ATOM 135 CA LEU A 10 4.496 4.119 2.910 1.00 0.00 C ATOM 136 C LEU A 10 5.999 4.324 3.112 1.00 0.00 C ATOM 137 O LEU A 10 6.512 4.187 4.206 1.00 0.00 O ATOM 138 CB LEU A 10 3.694 5.041 3.835 1.00 0.00 C ATOM 139 CG LEU A 10 4.062 6.509 3.572 1.00 0.00 C ATOM 140 CD1 LEU A 10 5.406 6.825 4.232 1.00 0.00 C ATOM 141 CD2 LEU A 10 4.164 6.764 2.065 1.00 0.00 C ATOM 0 H LEU A 10 4.067 2.579 4.325 1.00 0.00 H new ATOM 0 HA LEU A 10 4.284 4.319 1.860 1.00 0.00 H new ATOM 0 HB2 LEU A 10 2.627 4.892 3.673 1.00 0.00 H new ATOM 0 HB3 LEU A 10 3.896 4.789 4.876 1.00 0.00 H new ATOM 0 HG LEU A 10 3.286 7.150 3.991 1.00 0.00 H new ATOM 0 HD11 LEU A 10 5.667 7.867 4.045 1.00 0.00 H new ATOM 0 HD12 LEU A 10 5.332 6.656 5.306 1.00 0.00 H new ATOM 0 HD13 LEU A 10 6.177 6.177 3.815 1.00 0.00 H new ATOM 0 HD21 LEU A 10 4.425 7.808 1.889 1.00 0.00 H new ATOM 0 HD22 LEU A 10 4.933 6.121 1.638 1.00 0.00 H new ATOM 0 HD23 LEU A 10 3.206 6.546 1.593 1.00 0.00 H new ATOM 153 N VAL A 11 6.711 4.626 2.064 1.00 0.00 N ATOM 154 CA VAL A 11 8.188 4.813 2.200 1.00 0.00 C ATOM 155 C VAL A 11 8.541 6.303 2.171 1.00 0.00 C ATOM 156 O VAL A 11 8.109 7.039 1.306 1.00 0.00 O ATOM 157 CB VAL A 11 8.820 4.092 1.004 1.00 0.00 C ATOM 158 CG1 VAL A 11 10.279 3.769 1.328 1.00 0.00 C ATOM 159 CG2 VAL A 11 8.067 2.789 0.715 1.00 0.00 C ATOM 0 H VAL A 11 6.340 4.752 1.122 1.00 0.00 H new ATOM 0 HA VAL A 11 8.554 4.412 3.145 1.00 0.00 H new ATOM 0 HB VAL A 11 8.765 4.737 0.127 1.00 0.00 H new ATOM 0 HG11 VAL A 11 10.735 3.256 0.481 1.00 0.00 H new ATOM 0 HG12 VAL A 11 10.821 4.694 1.526 1.00 0.00 H new ATOM 0 HG13 VAL A 11 10.323 3.127 2.208 1.00 0.00 H new ATOM 0 HG21 VAL A 11 8.525 2.285 -0.136 1.00 0.00 H new ATOM 0 HG22 VAL A 11 8.115 2.140 1.589 1.00 0.00 H new ATOM 0 HG23 VAL A 11 7.025 3.014 0.486 1.00 0.00 H new ATOM 169 N LYS A 12 9.316 6.750 3.121 1.00 0.00 N ATOM 170 CA LYS A 12 9.695 8.193 3.170 1.00 0.00 C ATOM 171 C LYS A 12 10.567 8.561 1.966 1.00 0.00 C ATOM 172 O LYS A 12 10.474 9.646 1.430 1.00 0.00 O ATOM 173 CB LYS A 12 10.492 8.343 4.466 1.00 0.00 C ATOM 174 CG LYS A 12 10.937 9.798 4.633 1.00 0.00 C ATOM 175 CD LYS A 12 11.778 9.925 5.906 1.00 0.00 C ATOM 176 CE LYS A 12 12.170 11.389 6.121 1.00 0.00 C ATOM 177 NZ LYS A 12 12.645 11.453 7.533 1.00 0.00 N ATOM 0 H LYS A 12 9.705 6.176 3.869 1.00 0.00 H new ATOM 0 HA LYS A 12 8.824 8.847 3.140 1.00 0.00 H new ATOM 0 HB2 LYS A 12 9.882 8.039 5.317 1.00 0.00 H new ATOM 0 HB3 LYS A 12 11.362 7.686 4.447 1.00 0.00 H new ATOM 0 HG2 LYS A 12 11.517 10.115 3.766 1.00 0.00 H new ATOM 0 HG3 LYS A 12 10.067 10.452 4.691 1.00 0.00 H new ATOM 0 HD2 LYS A 12 11.214 9.560 6.764 1.00 0.00 H new ATOM 0 HD3 LYS A 12 12.672 9.307 5.826 1.00 0.00 H new ATOM 0 HE2 LYS A 12 12.952 11.695 5.426 1.00 0.00 H new ATOM 0 HE3 LYS A 12 11.321 12.054 5.959 1.00 0.00 H new ATOM 0 HZ1 LYS A 12 12.933 12.427 7.759 1.00 0.00 H new ATOM 0 HZ2 LYS A 12 11.877 11.162 8.171 1.00 0.00 H new ATOM 0 HZ3 LYS A 12 13.457 10.815 7.655 1.00 0.00 H new ATOM 191 N GLU A 13 11.471 7.697 1.589 1.00 0.00 N ATOM 192 CA GLU A 13 12.409 8.041 0.481 1.00 0.00 C ATOM 193 C GLU A 13 12.254 7.055 -0.679 1.00 0.00 C ATOM 194 O GLU A 13 12.063 5.871 -0.482 1.00 0.00 O ATOM 195 CB GLU A 13 13.810 7.940 1.090 1.00 0.00 C ATOM 196 CG GLU A 13 14.024 6.541 1.676 1.00 0.00 C ATOM 197 CD GLU A 13 15.452 6.428 2.215 1.00 0.00 C ATOM 198 OE1 GLU A 13 16.365 6.362 1.409 1.00 0.00 O ATOM 199 OE2 GLU A 13 15.608 6.410 3.425 1.00 0.00 O ATOM 0 H GLU A 13 11.601 6.772 1.998 1.00 0.00 H new ATOM 0 HA GLU A 13 12.214 9.034 0.077 1.00 0.00 H new ATOM 0 HB2 GLU A 13 14.563 8.144 0.328 1.00 0.00 H new ATOM 0 HB3 GLU A 13 13.933 8.693 1.869 1.00 0.00 H new ATOM 0 HG2 GLU A 13 13.306 6.356 2.475 1.00 0.00 H new ATOM 0 HG3 GLU A 13 13.851 5.784 0.911 1.00 0.00 H new ATOM 206 N GLU A 14 12.304 7.543 -1.888 1.00 0.00 N ATOM 207 CA GLU A 14 12.128 6.647 -3.067 1.00 0.00 C ATOM 208 C GLU A 14 13.208 5.564 -3.078 1.00 0.00 C ATOM 209 O GLU A 14 12.960 4.432 -3.445 1.00 0.00 O ATOM 210 CB GLU A 14 12.275 7.561 -4.283 1.00 0.00 C ATOM 211 CG GLU A 14 12.024 6.754 -5.559 1.00 0.00 C ATOM 212 CD GLU A 14 12.001 7.698 -6.763 1.00 0.00 C ATOM 213 OE1 GLU A 14 12.069 8.898 -6.552 1.00 0.00 O ATOM 214 OE2 GLU A 14 11.913 7.205 -7.876 1.00 0.00 O ATOM 0 H GLU A 14 12.460 8.526 -2.111 1.00 0.00 H new ATOM 0 HA GLU A 14 11.166 6.134 -3.054 1.00 0.00 H new ATOM 0 HB2 GLU A 14 11.568 8.388 -4.218 1.00 0.00 H new ATOM 0 HB3 GLU A 14 13.274 7.997 -4.306 1.00 0.00 H new ATOM 0 HG2 GLU A 14 12.804 6.003 -5.687 1.00 0.00 H new ATOM 0 HG3 GLU A 14 11.077 6.220 -5.484 1.00 0.00 H new ATOM 221 N LYS A 15 14.419 5.915 -2.740 1.00 0.00 N ATOM 222 CA LYS A 15 15.527 4.918 -2.803 1.00 0.00 C ATOM 223 C LYS A 15 15.141 3.654 -2.030 1.00 0.00 C ATOM 224 O LYS A 15 15.237 2.553 -2.538 1.00 0.00 O ATOM 225 CB LYS A 15 16.720 5.609 -2.143 1.00 0.00 C ATOM 226 CG LYS A 15 17.195 6.766 -3.025 1.00 0.00 C ATOM 227 CD LYS A 15 18.389 7.454 -2.360 1.00 0.00 C ATOM 228 CE LYS A 15 18.866 8.614 -3.237 1.00 0.00 C ATOM 229 NZ LYS A 15 20.354 8.525 -3.215 1.00 0.00 N ATOM 0 H LYS A 15 14.689 6.846 -2.424 1.00 0.00 H new ATOM 0 HA LYS A 15 15.751 4.610 -3.824 1.00 0.00 H new ATOM 0 HB2 LYS A 15 16.438 5.981 -1.158 1.00 0.00 H new ATOM 0 HB3 LYS A 15 17.530 4.895 -1.994 1.00 0.00 H new ATOM 0 HG2 LYS A 15 17.477 6.395 -4.010 1.00 0.00 H new ATOM 0 HG3 LYS A 15 16.386 7.481 -3.174 1.00 0.00 H new ATOM 0 HD2 LYS A 15 18.106 7.823 -1.374 1.00 0.00 H new ATOM 0 HD3 LYS A 15 19.198 6.739 -2.213 1.00 0.00 H new ATOM 0 HE2 LYS A 15 18.480 8.526 -4.253 1.00 0.00 H new ATOM 0 HE3 LYS A 15 18.522 9.572 -2.847 1.00 0.00 H new ATOM 0 HZ1 LYS A 15 20.756 9.289 -3.795 1.00 0.00 H new ATOM 0 HZ2 LYS A 15 20.693 8.618 -2.236 1.00 0.00 H new ATOM 0 HZ3 LYS A 15 20.652 7.605 -3.598 1.00 0.00 H new ATOM 243 N LEU A 16 14.635 3.804 -0.836 1.00 0.00 N ATOM 244 CA LEU A 16 14.163 2.611 -0.078 1.00 0.00 C ATOM 245 C LEU A 16 12.917 2.036 -0.753 1.00 0.00 C ATOM 246 O LEU A 16 12.756 0.838 -0.869 1.00 0.00 O ATOM 247 CB LEU A 16 13.837 3.124 1.325 1.00 0.00 C ATOM 248 CG LEU A 16 13.587 1.935 2.260 1.00 0.00 C ATOM 249 CD1 LEU A 16 13.811 2.373 3.709 1.00 0.00 C ATOM 250 CD2 LEU A 16 12.150 1.437 2.094 1.00 0.00 C ATOM 0 H LEU A 16 14.528 4.697 -0.355 1.00 0.00 H new ATOM 0 HA LEU A 16 14.907 1.815 -0.044 1.00 0.00 H new ATOM 0 HB2 LEU A 16 14.661 3.730 1.702 1.00 0.00 H new ATOM 0 HB3 LEU A 16 12.957 3.766 1.293 1.00 0.00 H new ATOM 0 HG LEU A 16 14.277 1.129 2.010 1.00 0.00 H new ATOM 0 HD11 LEU A 16 13.634 1.529 4.376 1.00 0.00 H new ATOM 0 HD12 LEU A 16 14.837 2.721 3.829 1.00 0.00 H new ATOM 0 HD13 LEU A 16 13.122 3.181 3.955 1.00 0.00 H new ATOM 0 HD21 LEU A 16 11.978 0.592 2.761 1.00 0.00 H new ATOM 0 HD22 LEU A 16 11.456 2.240 2.340 1.00 0.00 H new ATOM 0 HD23 LEU A 16 11.991 1.123 1.062 1.00 0.00 H new ATOM 262 N ALA A 17 12.067 2.882 -1.267 1.00 0.00 N ATOM 263 CA ALA A 17 10.882 2.376 -2.011 1.00 0.00 C ATOM 264 C ALA A 17 11.345 1.479 -3.161 1.00 0.00 C ATOM 265 O ALA A 17 10.934 0.343 -3.276 1.00 0.00 O ATOM 266 CB ALA A 17 10.186 3.627 -2.548 1.00 0.00 C ATOM 0 H ALA A 17 12.142 3.897 -1.204 1.00 0.00 H new ATOM 0 HA ALA A 17 10.214 1.783 -1.386 1.00 0.00 H new ATOM 0 HB1 ALA A 17 9.299 3.337 -3.111 1.00 0.00 H new ATOM 0 HB2 ALA A 17 9.894 4.267 -1.715 1.00 0.00 H new ATOM 0 HB3 ALA A 17 10.868 4.171 -3.201 1.00 0.00 H new ATOM 272 N LEU A 18 12.280 1.940 -3.943 1.00 0.00 N ATOM 273 CA LEU A 18 12.857 1.068 -5.004 1.00 0.00 C ATOM 274 C LEU A 18 13.450 -0.188 -4.368 1.00 0.00 C ATOM 275 O LEU A 18 13.228 -1.291 -4.828 1.00 0.00 O ATOM 276 CB LEU A 18 13.951 1.913 -5.649 1.00 0.00 C ATOM 277 CG LEU A 18 13.979 1.644 -7.152 1.00 0.00 C ATOM 278 CD1 LEU A 18 15.043 2.525 -7.805 1.00 0.00 C ATOM 279 CD2 LEU A 18 14.310 0.172 -7.401 1.00 0.00 C ATOM 0 H LEU A 18 12.669 2.881 -3.894 1.00 0.00 H new ATOM 0 HA LEU A 18 12.116 0.741 -5.733 1.00 0.00 H new ATOM 0 HB2 LEU A 18 13.767 2.971 -5.461 1.00 0.00 H new ATOM 0 HB3 LEU A 18 14.918 1.674 -5.207 1.00 0.00 H new ATOM 0 HG LEU A 18 13.004 1.873 -7.582 1.00 0.00 H new ATOM 0 HD11 LEU A 18 15.065 2.335 -8.878 1.00 0.00 H new ATOM 0 HD12 LEU A 18 14.806 3.574 -7.627 1.00 0.00 H new ATOM 0 HD13 LEU A 18 16.018 2.296 -7.376 1.00 0.00 H new ATOM 0 HD21 LEU A 18 14.330 -0.020 -8.474 1.00 0.00 H new ATOM 0 HD22 LEU A 18 15.285 -0.059 -6.973 1.00 0.00 H new ATOM 0 HD23 LEU A 18 13.551 -0.456 -6.934 1.00 0.00 H new ATOM 291 N ASP A 19 14.104 -0.044 -3.248 1.00 0.00 N ATOM 292 CA ASP A 19 14.587 -1.247 -2.518 1.00 0.00 C ATOM 293 C ASP A 19 13.397 -2.134 -2.142 1.00 0.00 C ATOM 294 O ASP A 19 13.452 -3.343 -2.254 1.00 0.00 O ATOM 295 CB ASP A 19 15.283 -0.714 -1.264 1.00 0.00 C ATOM 296 CG ASP A 19 15.838 -1.888 -0.455 1.00 0.00 C ATOM 297 OD1 ASP A 19 15.377 -2.997 -0.667 1.00 0.00 O ATOM 298 OD2 ASP A 19 16.716 -1.657 0.360 1.00 0.00 O ATOM 0 H ASP A 19 14.323 0.851 -2.810 1.00 0.00 H new ATOM 0 HA ASP A 19 15.265 -1.852 -3.120 1.00 0.00 H new ATOM 0 HB2 ASP A 19 16.090 -0.036 -1.542 1.00 0.00 H new ATOM 0 HB3 ASP A 19 14.580 -0.141 -0.660 1.00 0.00 H new ATOM 303 N LEU A 20 12.305 -1.541 -1.732 1.00 0.00 N ATOM 304 CA LEU A 20 11.102 -2.355 -1.393 1.00 0.00 C ATOM 305 C LEU A 20 10.608 -3.093 -2.645 1.00 0.00 C ATOM 306 O LEU A 20 10.258 -4.256 -2.597 1.00 0.00 O ATOM 307 CB LEU A 20 10.072 -1.334 -0.848 1.00 0.00 C ATOM 308 CG LEU A 20 8.917 -1.090 -1.837 1.00 0.00 C ATOM 309 CD1 LEU A 20 8.014 -2.323 -1.886 1.00 0.00 C ATOM 310 CD2 LEU A 20 8.102 0.119 -1.382 1.00 0.00 C ATOM 0 H LEU A 20 12.196 -0.533 -1.618 1.00 0.00 H new ATOM 0 HA LEU A 20 11.295 -3.131 -0.652 1.00 0.00 H new ATOM 0 HB2 LEU A 20 9.668 -1.697 0.097 1.00 0.00 H new ATOM 0 HB3 LEU A 20 10.575 -0.390 -0.639 1.00 0.00 H new ATOM 0 HG LEU A 20 9.326 -0.901 -2.829 1.00 0.00 H new ATOM 0 HD11 LEU A 20 7.197 -2.148 -2.586 1.00 0.00 H new ATOM 0 HD12 LEU A 20 8.594 -3.186 -2.213 1.00 0.00 H new ATOM 0 HD13 LEU A 20 7.606 -2.515 -0.894 1.00 0.00 H new ATOM 0 HD21 LEU A 20 7.285 0.291 -2.082 1.00 0.00 H new ATOM 0 HD22 LEU A 20 7.695 -0.070 -0.389 1.00 0.00 H new ATOM 0 HD23 LEU A 20 8.744 0.999 -1.350 1.00 0.00 H new ATOM 322 N LEU A 21 10.555 -2.413 -3.757 1.00 0.00 N ATOM 323 CA LEU A 21 10.059 -3.059 -5.002 1.00 0.00 C ATOM 324 C LEU A 21 10.936 -4.260 -5.355 1.00 0.00 C ATOM 325 O LEU A 21 10.454 -5.357 -5.562 1.00 0.00 O ATOM 326 CB LEU A 21 10.175 -1.979 -6.077 1.00 0.00 C ATOM 327 CG LEU A 21 9.034 -0.975 -5.915 1.00 0.00 C ATOM 328 CD1 LEU A 21 9.593 0.447 -5.990 1.00 0.00 C ATOM 329 CD2 LEU A 21 8.016 -1.180 -7.039 1.00 0.00 C ATOM 0 H LEU A 21 10.834 -1.437 -3.856 1.00 0.00 H new ATOM 0 HA LEU A 21 9.038 -3.428 -4.901 1.00 0.00 H new ATOM 0 HB2 LEU A 21 11.136 -1.471 -5.995 1.00 0.00 H new ATOM 0 HB3 LEU A 21 10.138 -2.432 -7.068 1.00 0.00 H new ATOM 0 HG LEU A 21 8.550 -1.125 -4.950 1.00 0.00 H new ATOM 0 HD11 LEU A 21 8.780 1.164 -5.875 1.00 0.00 H new ATOM 0 HD12 LEU A 21 10.322 0.594 -5.193 1.00 0.00 H new ATOM 0 HD13 LEU A 21 10.075 0.598 -6.956 1.00 0.00 H new ATOM 0 HD21 LEU A 21 7.201 -0.465 -6.926 1.00 0.00 H new ATOM 0 HD22 LEU A 21 8.502 -1.027 -8.003 1.00 0.00 H new ATOM 0 HD23 LEU A 21 7.619 -2.194 -6.990 1.00 0.00 H new ATOM 341 N GLU A 22 12.228 -4.071 -5.378 1.00 0.00 N ATOM 342 CA GLU A 22 13.143 -5.212 -5.663 1.00 0.00 C ATOM 343 C GLU A 22 13.013 -6.281 -4.573 1.00 0.00 C ATOM 344 O GLU A 22 13.065 -7.465 -4.842 1.00 0.00 O ATOM 345 CB GLU A 22 14.550 -4.612 -5.664 1.00 0.00 C ATOM 346 CG GLU A 22 15.555 -5.677 -6.108 1.00 0.00 C ATOM 347 CD GLU A 22 16.961 -5.076 -6.141 1.00 0.00 C ATOM 348 OE1 GLU A 22 17.073 -3.873 -5.971 1.00 0.00 O ATOM 349 OE2 GLU A 22 17.902 -5.827 -6.336 1.00 0.00 O ATOM 0 H GLU A 22 12.688 -3.176 -5.212 1.00 0.00 H new ATOM 0 HA GLU A 22 12.911 -5.696 -6.612 1.00 0.00 H new ATOM 0 HB2 GLU A 22 14.591 -3.754 -6.336 1.00 0.00 H new ATOM 0 HB3 GLU A 22 14.804 -4.249 -4.668 1.00 0.00 H new ATOM 0 HG2 GLU A 22 15.527 -6.525 -5.424 1.00 0.00 H new ATOM 0 HG3 GLU A 22 15.287 -6.055 -7.095 1.00 0.00 H new ATOM 356 N GLN A 23 12.890 -5.870 -3.339 1.00 0.00 N ATOM 357 CA GLN A 23 12.812 -6.861 -2.227 1.00 0.00 C ATOM 358 C GLN A 23 11.603 -7.778 -2.417 1.00 0.00 C ATOM 359 O GLN A 23 11.688 -8.977 -2.234 1.00 0.00 O ATOM 360 CB GLN A 23 12.651 -6.022 -0.958 1.00 0.00 C ATOM 361 CG GLN A 23 12.560 -6.945 0.260 1.00 0.00 C ATOM 362 CD GLN A 23 13.905 -7.638 0.481 1.00 0.00 C ATOM 363 OE1 GLN A 23 14.947 -7.060 0.241 1.00 0.00 O ATOM 364 NE2 GLN A 23 13.928 -8.861 0.939 1.00 0.00 N ATOM 0 H GLN A 23 12.840 -4.892 -3.053 1.00 0.00 H new ATOM 0 HA GLN A 23 13.693 -7.501 -2.185 1.00 0.00 H new ATOM 0 HB2 GLN A 23 13.496 -5.342 -0.850 1.00 0.00 H new ATOM 0 HB3 GLN A 23 11.754 -5.406 -1.028 1.00 0.00 H new ATOM 0 HG2 GLN A 23 12.286 -6.370 1.145 1.00 0.00 H new ATOM 0 HG3 GLN A 23 11.777 -7.688 0.108 1.00 0.00 H new ATOM 0 HE21 GLN A 23 13.054 -9.347 1.141 1.00 0.00 H new ATOM 0 HE22 GLN A 23 14.820 -9.330 1.095 1.00 0.00 H new ATOM 373 N ILE A 24 10.491 -7.235 -2.827 1.00 0.00 N ATOM 374 CA ILE A 24 9.298 -8.091 -3.076 1.00 0.00 C ATOM 375 C ILE A 24 9.557 -9.004 -4.274 1.00 0.00 C ATOM 376 O ILE A 24 9.258 -10.180 -4.245 1.00 0.00 O ATOM 377 CB ILE A 24 8.165 -7.114 -3.382 1.00 0.00 C ATOM 378 CG1 ILE A 24 7.954 -6.187 -2.183 1.00 0.00 C ATOM 379 CG2 ILE A 24 6.878 -7.894 -3.654 1.00 0.00 C ATOM 380 CD1 ILE A 24 7.001 -5.056 -2.574 1.00 0.00 C ATOM 0 H ILE A 24 10.357 -6.239 -3.000 1.00 0.00 H new ATOM 0 HA ILE A 24 9.061 -8.732 -2.227 1.00 0.00 H new ATOM 0 HB ILE A 24 8.424 -6.522 -4.260 1.00 0.00 H new ATOM 0 HG12 ILE A 24 7.544 -6.748 -1.343 1.00 0.00 H new ATOM 0 HG13 ILE A 24 8.909 -5.776 -1.855 1.00 0.00 H new ATOM 0 HG21 ILE A 24 6.069 -7.197 -3.872 1.00 0.00 H new ATOM 0 HG22 ILE A 24 7.027 -8.556 -4.507 1.00 0.00 H new ATOM 0 HG23 ILE A 24 6.619 -8.486 -2.776 1.00 0.00 H new ATOM 0 HD11 ILE A 24 6.850 -4.395 -1.720 1.00 0.00 H new ATOM 0 HD12 ILE A 24 7.429 -4.489 -3.400 1.00 0.00 H new ATOM 0 HD13 ILE A 24 6.043 -5.477 -2.880 1.00 0.00 H new ATOM 392 N LYS A 25 10.185 -8.492 -5.298 1.00 0.00 N ATOM 393 CA LYS A 25 10.540 -9.364 -6.452 1.00 0.00 C ATOM 394 C LYS A 25 11.532 -10.438 -5.998 1.00 0.00 C ATOM 395 O LYS A 25 11.258 -11.620 -6.061 1.00 0.00 O ATOM 396 CB LYS A 25 11.206 -8.430 -7.467 1.00 0.00 C ATOM 397 CG LYS A 25 10.174 -7.450 -8.030 1.00 0.00 C ATOM 398 CD LYS A 25 10.857 -6.526 -9.041 1.00 0.00 C ATOM 399 CE LYS A 25 9.835 -5.540 -9.611 1.00 0.00 C ATOM 400 NZ LYS A 25 10.637 -4.595 -10.438 1.00 0.00 N ATOM 0 H LYS A 25 10.465 -7.515 -5.385 1.00 0.00 H new ATOM 0 HA LYS A 25 9.672 -9.872 -6.872 1.00 0.00 H new ATOM 0 HB2 LYS A 25 12.019 -7.882 -6.991 1.00 0.00 H new ATOM 0 HB3 LYS A 25 11.646 -9.013 -8.276 1.00 0.00 H new ATOM 0 HG2 LYS A 25 9.361 -7.995 -8.509 1.00 0.00 H new ATOM 0 HG3 LYS A 25 9.733 -6.864 -7.223 1.00 0.00 H new ATOM 0 HD2 LYS A 25 11.671 -5.984 -8.560 1.00 0.00 H new ATOM 0 HD3 LYS A 25 11.297 -7.114 -9.846 1.00 0.00 H new ATOM 0 HE2 LYS A 25 9.084 -6.052 -10.212 1.00 0.00 H new ATOM 0 HE3 LYS A 25 9.304 -5.017 -8.816 1.00 0.00 H new ATOM 0 HZ1 LYS A 25 10.007 -3.886 -10.864 1.00 0.00 H new ATOM 0 HZ2 LYS A 25 11.339 -4.118 -9.837 1.00 0.00 H new ATOM 0 HZ3 LYS A 25 11.126 -5.121 -11.190 1.00 0.00 H new ATOM 414 N ASN A 26 12.671 -10.028 -5.508 1.00 0.00 N ATOM 415 CA ASN A 26 13.674 -11.010 -5.008 1.00 0.00 C ATOM 416 C ASN A 26 13.098 -11.841 -3.864 1.00 0.00 C ATOM 417 O ASN A 26 13.337 -13.028 -3.768 1.00 0.00 O ATOM 418 CB ASN A 26 14.827 -10.157 -4.486 1.00 0.00 C ATOM 419 CG ASN A 26 15.959 -11.067 -4.003 1.00 0.00 C ATOM 420 OD1 ASN A 26 15.914 -12.265 -4.198 1.00 0.00 O ATOM 421 ND2 ASN A 26 16.980 -10.546 -3.376 1.00 0.00 N ATOM 0 H ASN A 26 12.950 -9.050 -5.433 1.00 0.00 H new ATOM 0 HA ASN A 26 13.979 -11.706 -5.789 1.00 0.00 H new ATOM 0 HB2 ASN A 26 15.189 -9.495 -5.273 1.00 0.00 H new ATOM 0 HB3 ASN A 26 14.483 -9.522 -3.669 1.00 0.00 H new ATOM 0 HD21 ASN A 26 17.739 -11.145 -3.051 1.00 0.00 H new ATOM 0 HD22 ASN A 26 17.019 -9.540 -3.212 1.00 0.00 H new ATOM 428 N GLY A 27 12.572 -11.177 -2.875 1.00 0.00 N ATOM 429 CA GLY A 27 12.257 -11.879 -1.603 1.00 0.00 C ATOM 430 C GLY A 27 10.748 -12.084 -1.461 1.00 0.00 C ATOM 431 O GLY A 27 10.302 -12.799 -0.590 1.00 0.00 O ATOM 0 H GLY A 27 12.347 -10.182 -2.892 1.00 0.00 H new ATOM 0 HA2 GLY A 27 12.764 -12.843 -1.578 1.00 0.00 H new ATOM 0 HA3 GLY A 27 12.632 -11.300 -0.759 1.00 0.00 H new ATOM 435 N ALA A 28 9.965 -11.421 -2.278 1.00 0.00 N ATOM 436 CA ALA A 28 8.471 -11.513 -2.167 1.00 0.00 C ATOM 437 C ALA A 28 8.026 -11.668 -0.710 1.00 0.00 C ATOM 438 O ALA A 28 8.035 -12.747 -0.153 1.00 0.00 O ATOM 439 CB ALA A 28 8.087 -12.748 -2.980 1.00 0.00 C ATOM 0 H ALA A 28 10.299 -10.813 -3.026 1.00 0.00 H new ATOM 0 HA ALA A 28 7.987 -10.608 -2.535 1.00 0.00 H new ATOM 0 HB1 ALA A 28 7.006 -12.883 -2.947 1.00 0.00 H new ATOM 0 HB2 ALA A 28 8.405 -12.616 -4.014 1.00 0.00 H new ATOM 0 HB3 ALA A 28 8.576 -13.627 -2.559 1.00 0.00 H new ATOM 445 N ASP A 29 7.688 -10.580 -0.079 1.00 0.00 N ATOM 446 CA ASP A 29 7.312 -10.639 1.359 1.00 0.00 C ATOM 447 C ASP A 29 6.763 -9.283 1.808 1.00 0.00 C ATOM 448 O ASP A 29 7.493 -8.424 2.262 1.00 0.00 O ATOM 449 CB ASP A 29 8.626 -10.954 2.069 1.00 0.00 C ATOM 450 CG ASP A 29 8.653 -12.430 2.472 1.00 0.00 C ATOM 451 OD1 ASP A 29 7.587 -13.013 2.584 1.00 0.00 O ATOM 452 OD2 ASP A 29 9.739 -12.952 2.660 1.00 0.00 O ATOM 0 H ASP A 29 7.656 -9.651 -0.498 1.00 0.00 H new ATOM 0 HA ASP A 29 6.538 -11.376 1.572 1.00 0.00 H new ATOM 0 HB2 ASP A 29 9.468 -10.731 1.413 1.00 0.00 H new ATOM 0 HB3 ASP A 29 8.734 -10.324 2.952 1.00 0.00 H new ATOM 457 N PHE A 30 5.491 -9.063 1.622 1.00 0.00 N ATOM 458 CA PHE A 30 4.904 -7.734 1.964 1.00 0.00 C ATOM 459 C PHE A 30 4.878 -7.526 3.482 1.00 0.00 C ATOM 460 O PHE A 30 5.126 -6.441 3.969 1.00 0.00 O ATOM 461 CB PHE A 30 3.484 -7.765 1.395 1.00 0.00 C ATOM 462 CG PHE A 30 3.471 -7.084 0.044 1.00 0.00 C ATOM 463 CD1 PHE A 30 3.718 -7.822 -1.124 1.00 0.00 C ATOM 464 CD2 PHE A 30 3.215 -5.707 -0.039 1.00 0.00 C ATOM 465 CE1 PHE A 30 3.710 -7.182 -2.372 1.00 0.00 C ATOM 466 CE2 PHE A 30 3.206 -5.069 -1.287 1.00 0.00 C ATOM 467 CZ PHE A 30 3.455 -5.806 -2.453 1.00 0.00 C ATOM 0 H PHE A 30 4.831 -9.745 1.248 1.00 0.00 H new ATOM 0 HA PHE A 30 5.489 -6.912 1.551 1.00 0.00 H new ATOM 0 HB2 PHE A 30 3.141 -8.795 1.299 1.00 0.00 H new ATOM 0 HB3 PHE A 30 2.796 -7.262 2.075 1.00 0.00 H new ATOM 0 HD1 PHE A 30 3.914 -8.882 -1.062 1.00 0.00 H new ATOM 0 HD2 PHE A 30 3.025 -5.138 0.859 1.00 0.00 H new ATOM 0 HE1 PHE A 30 3.900 -7.750 -3.271 1.00 0.00 H new ATOM 0 HE2 PHE A 30 3.007 -4.009 -1.350 1.00 0.00 H new ATOM 0 HZ PHE A 30 3.450 -5.314 -3.414 1.00 0.00 H new ATOM 477 N GLY A 31 4.557 -8.543 4.232 1.00 0.00 N ATOM 478 CA GLY A 31 4.492 -8.378 5.711 1.00 0.00 C ATOM 479 C GLY A 31 5.869 -7.976 6.248 1.00 0.00 C ATOM 480 O GLY A 31 6.008 -7.004 6.966 1.00 0.00 O ATOM 0 H GLY A 31 4.338 -9.477 3.887 1.00 0.00 H new ATOM 0 HA2 GLY A 31 3.754 -7.618 5.969 1.00 0.00 H new ATOM 0 HA3 GLY A 31 4.167 -9.309 6.176 1.00 0.00 H new ATOM 484 N LYS A 32 6.890 -8.716 5.906 1.00 0.00 N ATOM 485 CA LYS A 32 8.253 -8.374 6.406 1.00 0.00 C ATOM 486 C LYS A 32 8.695 -7.014 5.868 1.00 0.00 C ATOM 487 O LYS A 32 9.346 -6.250 6.550 1.00 0.00 O ATOM 488 CB LYS A 32 9.167 -9.472 5.861 1.00 0.00 C ATOM 489 CG LYS A 32 10.620 -9.128 6.195 1.00 0.00 C ATOM 490 CD LYS A 32 11.549 -10.192 5.608 1.00 0.00 C ATOM 491 CE LYS A 32 13.004 -9.777 5.832 1.00 0.00 C ATOM 492 NZ LYS A 32 13.811 -10.876 5.229 1.00 0.00 N ATOM 0 H LYS A 32 6.840 -9.539 5.305 1.00 0.00 H new ATOM 0 HA LYS A 32 8.281 -8.314 7.494 1.00 0.00 H new ATOM 0 HB2 LYS A 32 8.899 -10.434 6.297 1.00 0.00 H new ATOM 0 HB3 LYS A 32 9.041 -9.564 4.782 1.00 0.00 H new ATOM 0 HG2 LYS A 32 10.874 -8.147 5.792 1.00 0.00 H new ATOM 0 HG3 LYS A 32 10.752 -9.072 7.276 1.00 0.00 H new ATOM 0 HD2 LYS A 32 11.358 -11.157 6.078 1.00 0.00 H new ATOM 0 HD3 LYS A 32 11.354 -10.313 4.542 1.00 0.00 H new ATOM 0 HE2 LYS A 32 13.220 -8.821 5.356 1.00 0.00 H new ATOM 0 HE3 LYS A 32 13.223 -9.662 6.893 1.00 0.00 H new ATOM 0 HZ1 LYS A 32 14.823 -10.666 5.342 1.00 0.00 H new ATOM 0 HZ2 LYS A 32 13.588 -11.773 5.707 1.00 0.00 H new ATOM 0 HZ3 LYS A 32 13.585 -10.958 4.217 1.00 0.00 H new ATOM 506 N LEU A 33 8.422 -6.739 4.623 1.00 0.00 N ATOM 507 CA LEU A 33 8.914 -5.473 4.020 1.00 0.00 C ATOM 508 C LEU A 33 8.328 -4.263 4.749 1.00 0.00 C ATOM 509 O LEU A 33 9.041 -3.360 5.136 1.00 0.00 O ATOM 510 CB LEU A 33 8.427 -5.518 2.576 1.00 0.00 C ATOM 511 CG LEU A 33 8.668 -4.160 1.922 1.00 0.00 C ATOM 512 CD1 LEU A 33 10.170 -3.942 1.736 1.00 0.00 C ATOM 513 CD2 LEU A 33 7.970 -4.117 0.563 1.00 0.00 C ATOM 0 H LEU A 33 7.880 -7.337 3.999 1.00 0.00 H new ATOM 0 HA LEU A 33 9.998 -5.378 4.088 1.00 0.00 H new ATOM 0 HB2 LEU A 33 8.954 -6.298 2.026 1.00 0.00 H new ATOM 0 HB3 LEU A 33 7.366 -5.767 2.545 1.00 0.00 H new ATOM 0 HG LEU A 33 8.265 -3.373 2.560 1.00 0.00 H new ATOM 0 HD11 LEU A 33 10.342 -2.972 1.269 1.00 0.00 H new ATOM 0 HD12 LEU A 33 10.665 -3.970 2.707 1.00 0.00 H new ATOM 0 HD13 LEU A 33 10.576 -4.728 1.099 1.00 0.00 H new ATOM 0 HD21 LEU A 33 8.142 -3.147 0.096 1.00 0.00 H new ATOM 0 HD22 LEU A 33 8.370 -4.904 -0.077 1.00 0.00 H new ATOM 0 HD23 LEU A 33 6.899 -4.269 0.699 1.00 0.00 H new ATOM 525 N ALA A 34 7.038 -4.233 4.937 1.00 0.00 N ATOM 526 CA ALA A 34 6.421 -3.073 5.638 1.00 0.00 C ATOM 527 C ALA A 34 6.993 -2.938 7.049 1.00 0.00 C ATOM 528 O ALA A 34 7.324 -1.856 7.491 1.00 0.00 O ATOM 529 CB ALA A 34 4.927 -3.391 5.696 1.00 0.00 C ATOM 0 H ALA A 34 6.387 -4.958 4.637 1.00 0.00 H new ATOM 0 HA ALA A 34 6.619 -2.132 5.125 1.00 0.00 H new ATOM 0 HB1 ALA A 34 4.402 -2.580 6.200 1.00 0.00 H new ATOM 0 HB2 ALA A 34 4.539 -3.501 4.683 1.00 0.00 H new ATOM 0 HB3 ALA A 34 4.774 -4.320 6.246 1.00 0.00 H new ATOM 535 N LYS A 35 7.050 -4.015 7.784 1.00 0.00 N ATOM 536 CA LYS A 35 7.522 -3.924 9.197 1.00 0.00 C ATOM 537 C LYS A 35 8.952 -3.381 9.253 1.00 0.00 C ATOM 538 O LYS A 35 9.266 -2.514 10.045 1.00 0.00 O ATOM 539 CB LYS A 35 7.475 -5.360 9.720 1.00 0.00 C ATOM 540 CG LYS A 35 6.016 -5.804 9.871 1.00 0.00 C ATOM 541 CD LYS A 35 5.973 -7.243 10.396 1.00 0.00 C ATOM 542 CE LYS A 35 4.517 -7.690 10.548 1.00 0.00 C ATOM 543 NZ LYS A 35 4.101 -7.194 11.892 1.00 0.00 N ATOM 0 H LYS A 35 6.792 -4.950 7.470 1.00 0.00 H new ATOM 0 HA LYS A 35 6.907 -3.248 9.792 1.00 0.00 H new ATOM 0 HB2 LYS A 35 7.999 -6.025 9.034 1.00 0.00 H new ATOM 0 HB3 LYS A 35 7.987 -5.425 10.680 1.00 0.00 H new ATOM 0 HG2 LYS A 35 5.491 -5.139 10.557 1.00 0.00 H new ATOM 0 HG3 LYS A 35 5.504 -5.740 8.911 1.00 0.00 H new ATOM 0 HD2 LYS A 35 6.498 -7.907 9.710 1.00 0.00 H new ATOM 0 HD3 LYS A 35 6.486 -7.306 11.356 1.00 0.00 H new ATOM 0 HE2 LYS A 35 3.891 -7.270 9.761 1.00 0.00 H new ATOM 0 HE3 LYS A 35 4.428 -8.774 10.482 1.00 0.00 H new ATOM 0 HZ1 LYS A 35 3.088 -6.958 11.877 1.00 0.00 H new ATOM 0 HZ2 LYS A 35 4.273 -7.933 12.603 1.00 0.00 H new ATOM 0 HZ3 LYS A 35 4.651 -6.345 12.134 1.00 0.00 H new ATOM 557 N LYS A 36 9.839 -3.940 8.478 1.00 0.00 N ATOM 558 CA LYS A 36 11.268 -3.522 8.551 1.00 0.00 C ATOM 559 C LYS A 36 11.461 -2.103 7.999 1.00 0.00 C ATOM 560 O LYS A 36 12.180 -1.304 8.566 1.00 0.00 O ATOM 561 CB LYS A 36 12.012 -4.535 7.681 1.00 0.00 C ATOM 562 CG LYS A 36 13.507 -4.209 7.675 1.00 0.00 C ATOM 563 CD LYS A 36 14.049 -4.274 9.104 1.00 0.00 C ATOM 564 CE LYS A 36 15.575 -4.166 9.075 1.00 0.00 C ATOM 565 NZ LYS A 36 15.984 -4.137 10.508 1.00 0.00 N ATOM 0 H LYS A 36 9.636 -4.670 7.795 1.00 0.00 H new ATOM 0 HA LYS A 36 11.632 -3.503 9.578 1.00 0.00 H new ATOM 0 HB2 LYS A 36 11.851 -5.544 8.062 1.00 0.00 H new ATOM 0 HB3 LYS A 36 11.621 -4.512 6.664 1.00 0.00 H new ATOM 0 HG2 LYS A 36 14.041 -4.915 7.040 1.00 0.00 H new ATOM 0 HG3 LYS A 36 13.672 -3.216 7.257 1.00 0.00 H new ATOM 0 HD2 LYS A 36 13.628 -3.466 9.701 1.00 0.00 H new ATOM 0 HD3 LYS A 36 13.749 -5.209 9.576 1.00 0.00 H new ATOM 0 HE2 LYS A 36 16.021 -5.013 8.554 1.00 0.00 H new ATOM 0 HE3 LYS A 36 15.898 -3.265 8.554 1.00 0.00 H new ATOM 0 HZ1 LYS A 36 17.019 -4.064 10.572 1.00 0.00 H new ATOM 0 HZ2 LYS A 36 15.549 -3.317 10.977 1.00 0.00 H new ATOM 0 HZ3 LYS A 36 15.669 -5.010 10.977 1.00 0.00 H new ATOM 579 N HIS A 37 10.989 -1.853 6.807 1.00 0.00 N ATOM 580 CA HIS A 37 11.335 -0.569 6.128 1.00 0.00 C ATOM 581 C HIS A 37 10.420 0.575 6.584 1.00 0.00 C ATOM 582 O HIS A 37 10.851 1.702 6.722 1.00 0.00 O ATOM 583 CB HIS A 37 11.141 -0.853 4.639 1.00 0.00 C ATOM 584 CG HIS A 37 12.214 -1.801 4.172 1.00 0.00 C ATOM 585 ND1 HIS A 37 13.419 -1.356 3.650 1.00 0.00 N ATOM 586 CD2 HIS A 37 12.281 -3.172 4.151 1.00 0.00 C ATOM 587 CE1 HIS A 37 14.152 -2.440 3.341 1.00 0.00 C ATOM 588 NE2 HIS A 37 13.507 -3.573 3.627 1.00 0.00 N ATOM 0 H HIS A 37 10.382 -2.478 6.276 1.00 0.00 H new ATOM 0 HA HIS A 37 12.350 -0.250 6.364 1.00 0.00 H new ATOM 0 HB2 HIS A 37 10.156 -1.285 4.464 1.00 0.00 H new ATOM 0 HB3 HIS A 37 11.187 0.076 4.070 1.00 0.00 H new ATOM 0 HD2 HIS A 37 11.501 -3.838 4.489 1.00 0.00 H new ATOM 0 HE1 HIS A 37 15.143 -2.399 2.913 1.00 0.00 H new ATOM 0 HE2 HIS A 37 13.841 -4.527 3.491 1.00 0.00 H new ATOM 596 N SER A 38 9.152 0.316 6.750 1.00 0.00 N ATOM 597 CA SER A 38 8.212 1.417 7.116 1.00 0.00 C ATOM 598 C SER A 38 8.623 2.050 8.444 1.00 0.00 C ATOM 599 O SER A 38 8.652 3.258 8.574 1.00 0.00 O ATOM 600 CB SER A 38 6.845 0.744 7.242 1.00 0.00 C ATOM 601 OG SER A 38 5.841 1.737 7.382 1.00 0.00 O ATOM 0 H SER A 38 8.726 -0.605 6.649 1.00 0.00 H new ATOM 0 HA SER A 38 8.207 2.217 6.375 1.00 0.00 H new ATOM 0 HB2 SER A 38 6.646 0.132 6.362 1.00 0.00 H new ATOM 0 HB3 SER A 38 6.834 0.076 8.104 1.00 0.00 H new ATOM 0 HG SER A 38 5.694 1.922 8.333 1.00 0.00 H new ATOM 607 N ILE A 39 8.942 1.238 9.421 1.00 0.00 N ATOM 608 CA ILE A 39 9.351 1.763 10.760 1.00 0.00 C ATOM 609 C ILE A 39 8.591 3.050 11.094 1.00 0.00 C ATOM 610 O ILE A 39 9.169 4.036 11.505 1.00 0.00 O ATOM 611 CB ILE A 39 10.844 2.047 10.619 1.00 0.00 C ATOM 612 CG1 ILE A 39 11.575 0.755 10.252 1.00 0.00 C ATOM 613 CG2 ILE A 39 11.386 2.575 11.947 1.00 0.00 C ATOM 614 CD1 ILE A 39 13.002 1.087 9.815 1.00 0.00 C ATOM 0 H ILE A 39 8.936 0.221 9.346 1.00 0.00 H new ATOM 0 HA ILE A 39 9.134 1.059 11.563 1.00 0.00 H new ATOM 0 HB ILE A 39 11.002 2.790 9.837 1.00 0.00 H new ATOM 0 HG12 ILE A 39 11.592 0.078 11.106 1.00 0.00 H new ATOM 0 HG13 ILE A 39 11.047 0.241 9.449 1.00 0.00 H new ATOM 0 HG21 ILE A 39 12.452 2.779 11.850 1.00 0.00 H new ATOM 0 HG22 ILE A 39 10.864 3.494 12.214 1.00 0.00 H new ATOM 0 HG23 ILE A 39 11.229 1.829 12.726 1.00 0.00 H new ATOM 0 HD11 ILE A 39 13.525 0.168 9.553 1.00 0.00 H new ATOM 0 HD12 ILE A 39 12.973 1.748 8.949 1.00 0.00 H new ATOM 0 HD13 ILE A 39 13.527 1.583 10.632 1.00 0.00 H new ATOM 626 N CYS A 40 7.303 3.061 10.876 1.00 0.00 N ATOM 627 CA CYS A 40 6.515 4.300 11.133 1.00 0.00 C ATOM 628 C CYS A 40 5.237 3.960 11.908 1.00 0.00 C ATOM 629 O CYS A 40 4.817 2.821 11.944 1.00 0.00 O ATOM 630 CB CYS A 40 6.185 4.853 9.744 1.00 0.00 C ATOM 631 SG CYS A 40 4.938 3.810 8.948 1.00 0.00 S ATOM 0 H CYS A 40 6.764 2.267 10.532 1.00 0.00 H new ATOM 0 HA CYS A 40 7.061 5.026 11.735 1.00 0.00 H new ATOM 0 HB2 CYS A 40 5.817 5.876 9.828 1.00 0.00 H new ATOM 0 HB3 CYS A 40 7.087 4.888 9.133 1.00 0.00 H new ATOM 0 HG CYS A 40 5.410 3.346 7.829 1.00 0.00 H new ATOM 637 N PRO A 41 4.683 4.962 12.536 1.00 0.00 N ATOM 638 CA PRO A 41 3.467 4.766 13.364 1.00 0.00 C ATOM 639 C PRO A 41 2.364 4.087 12.546 1.00 0.00 C ATOM 640 O PRO A 41 1.509 3.409 13.081 1.00 0.00 O ATOM 641 CB PRO A 41 3.051 6.182 13.771 1.00 0.00 C ATOM 642 CG PRO A 41 3.910 7.118 12.971 1.00 0.00 C ATOM 643 CD PRO A 41 5.131 6.353 12.536 1.00 0.00 C ATOM 0 HA PRO A 41 3.647 4.125 14.227 1.00 0.00 H new ATOM 0 HB2 PRO A 41 1.994 6.351 13.565 1.00 0.00 H new ATOM 0 HB3 PRO A 41 3.196 6.338 14.840 1.00 0.00 H new ATOM 0 HG2 PRO A 41 3.364 7.493 12.105 1.00 0.00 H new ATOM 0 HG3 PRO A 41 4.193 7.984 13.569 1.00 0.00 H new ATOM 0 HD2 PRO A 41 5.469 6.665 11.548 1.00 0.00 H new ATOM 0 HD3 PRO A 41 5.965 6.506 13.221 1.00 0.00 H new ATOM 651 N SER A 42 2.411 4.211 11.248 1.00 0.00 N ATOM 652 CA SER A 42 1.406 3.516 10.395 1.00 0.00 C ATOM 653 C SER A 42 2.068 2.365 9.635 1.00 0.00 C ATOM 654 O SER A 42 1.538 1.863 8.664 1.00 0.00 O ATOM 655 CB SER A 42 0.890 4.578 9.424 1.00 0.00 C ATOM 656 OG SER A 42 1.781 5.684 9.414 1.00 0.00 O ATOM 0 H SER A 42 3.102 4.764 10.741 1.00 0.00 H new ATOM 0 HA SER A 42 0.596 3.086 10.984 1.00 0.00 H new ATOM 0 HB2 SER A 42 0.803 4.158 8.422 1.00 0.00 H new ATOM 0 HB3 SER A 42 -0.107 4.903 9.721 1.00 0.00 H new ATOM 0 HG SER A 42 1.451 6.364 8.790 1.00 0.00 H new ATOM 662 N GLY A 43 3.192 1.901 10.107 1.00 0.00 N ATOM 663 CA GLY A 43 3.845 0.732 9.454 1.00 0.00 C ATOM 664 C GLY A 43 3.138 -0.546 9.907 1.00 0.00 C ATOM 665 O GLY A 43 2.550 -1.257 9.116 1.00 0.00 O ATOM 0 H GLY A 43 3.686 2.280 10.915 1.00 0.00 H new ATOM 0 HA2 GLY A 43 3.792 0.828 8.369 1.00 0.00 H new ATOM 0 HA3 GLY A 43 4.901 0.693 9.720 1.00 0.00 H new ATOM 669 N LYS A 44 3.132 -0.802 11.186 1.00 0.00 N ATOM 670 CA LYS A 44 2.393 -1.988 11.707 1.00 0.00 C ATOM 671 C LYS A 44 0.904 -1.884 11.360 1.00 0.00 C ATOM 672 O LYS A 44 0.245 -2.878 11.124 1.00 0.00 O ATOM 673 CB LYS A 44 2.608 -1.958 13.221 1.00 0.00 C ATOM 674 CG LYS A 44 4.069 -2.298 13.528 1.00 0.00 C ATOM 675 CD LYS A 44 4.297 -2.272 15.040 1.00 0.00 C ATOM 676 CE LYS A 44 5.759 -2.614 15.340 1.00 0.00 C ATOM 677 NZ LYS A 44 5.808 -2.838 16.813 1.00 0.00 N ATOM 0 H LYS A 44 3.607 -0.241 11.894 1.00 0.00 H new ATOM 0 HA LYS A 44 2.748 -2.921 11.269 1.00 0.00 H new ATOM 0 HB2 LYS A 44 2.360 -0.973 13.616 1.00 0.00 H new ATOM 0 HB3 LYS A 44 1.945 -2.673 13.709 1.00 0.00 H new ATOM 0 HG2 LYS A 44 4.315 -3.283 13.130 1.00 0.00 H new ATOM 0 HG3 LYS A 44 4.730 -1.583 13.038 1.00 0.00 H new ATOM 0 HD2 LYS A 44 4.053 -1.287 15.439 1.00 0.00 H new ATOM 0 HD3 LYS A 44 3.637 -2.987 15.531 1.00 0.00 H new ATOM 0 HE2 LYS A 44 6.076 -3.503 14.795 1.00 0.00 H new ATOM 0 HE3 LYS A 44 6.423 -1.803 15.042 1.00 0.00 H new ATOM 0 HZ1 LYS A 44 6.780 -3.077 17.096 1.00 0.00 H new ATOM 0 HZ2 LYS A 44 5.507 -1.973 17.306 1.00 0.00 H new ATOM 0 HZ3 LYS A 44 5.171 -3.620 17.067 1.00 0.00 H new ATOM 691 N ARG A 45 0.364 -0.696 11.338 1.00 0.00 N ATOM 692 CA ARG A 45 -1.082 -0.543 11.020 1.00 0.00 C ATOM 693 C ARG A 45 -1.272 -0.330 9.514 1.00 0.00 C ATOM 694 O ARG A 45 -2.167 -0.884 8.906 1.00 0.00 O ATOM 695 CB ARG A 45 -1.523 0.693 11.810 1.00 0.00 C ATOM 696 CG ARG A 45 -2.836 1.224 11.241 1.00 0.00 C ATOM 697 CD ARG A 45 -3.955 0.217 11.518 1.00 0.00 C ATOM 698 NE ARG A 45 -5.200 0.883 11.040 1.00 0.00 N ATOM 699 CZ ARG A 45 -6.371 0.404 11.372 1.00 0.00 C ATOM 700 NH1 ARG A 45 -6.457 -0.662 12.123 1.00 0.00 N ATOM 701 NH2 ARG A 45 -7.457 0.992 10.952 1.00 0.00 N ATOM 0 H ARG A 45 0.862 0.174 11.526 1.00 0.00 H new ATOM 0 HA ARG A 45 -1.667 -1.424 11.284 1.00 0.00 H new ATOM 0 HB2 ARG A 45 -1.648 0.439 12.863 1.00 0.00 H new ATOM 0 HB3 ARG A 45 -0.754 1.464 11.757 1.00 0.00 H new ATOM 0 HG2 ARG A 45 -3.078 2.186 11.692 1.00 0.00 H new ATOM 0 HG3 ARG A 45 -2.739 1.391 10.168 1.00 0.00 H new ATOM 0 HD2 ARG A 45 -3.782 -0.721 10.990 1.00 0.00 H new ATOM 0 HD3 ARG A 45 -4.018 -0.021 12.580 1.00 0.00 H new ATOM 0 HE ARG A 45 -5.139 1.715 10.452 1.00 0.00 H new ATOM 0 HH11 ARG A 45 -5.609 -1.124 12.452 1.00 0.00 H new ATOM 0 HH12 ARG A 45 -7.372 -1.032 12.380 1.00 0.00 H new ATOM 0 HH21 ARG A 45 -7.392 1.824 10.366 1.00 0.00 H new ATOM 0 HH22 ARG A 45 -8.371 0.620 11.210 1.00 0.00 H new ATOM 715 N GLY A 46 -0.411 0.432 8.900 1.00 0.00 N ATOM 716 CA GLY A 46 -0.509 0.638 7.428 1.00 0.00 C ATOM 717 C GLY A 46 -0.115 -0.657 6.715 1.00 0.00 C ATOM 718 O GLY A 46 -0.655 -0.998 5.682 1.00 0.00 O ATOM 0 H GLY A 46 0.359 0.923 9.355 1.00 0.00 H new ATOM 0 HA2 GLY A 46 -1.525 0.924 7.155 1.00 0.00 H new ATOM 0 HA3 GLY A 46 0.146 1.452 7.118 1.00 0.00 H new ATOM 722 N GLY A 47 0.738 -1.435 7.328 1.00 0.00 N ATOM 723 CA GLY A 47 1.068 -2.776 6.764 1.00 0.00 C ATOM 724 C GLY A 47 -0.098 -3.739 7.020 1.00 0.00 C ATOM 725 O GLY A 47 -0.045 -4.901 6.669 1.00 0.00 O ATOM 0 H GLY A 47 1.220 -1.199 8.195 1.00 0.00 H new ATOM 0 HA2 GLY A 47 1.259 -2.695 5.694 1.00 0.00 H new ATOM 0 HA3 GLY A 47 1.979 -3.161 7.222 1.00 0.00 H new ATOM 729 N ASP A 48 -1.143 -3.266 7.644 1.00 0.00 N ATOM 730 CA ASP A 48 -2.308 -4.145 7.943 1.00 0.00 C ATOM 731 C ASP A 48 -3.479 -3.282 8.415 1.00 0.00 C ATOM 732 O ASP A 48 -3.929 -3.381 9.539 1.00 0.00 O ATOM 733 CB ASP A 48 -1.833 -5.065 9.068 1.00 0.00 C ATOM 734 CG ASP A 48 -2.624 -6.374 9.027 1.00 0.00 C ATOM 735 OD1 ASP A 48 -3.837 -6.307 8.904 1.00 0.00 O ATOM 736 OD2 ASP A 48 -2.004 -7.421 9.120 1.00 0.00 O ATOM 0 H ASP A 48 -1.239 -2.301 7.961 1.00 0.00 H new ATOM 0 HA ASP A 48 -2.644 -4.713 7.076 1.00 0.00 H new ATOM 0 HB2 ASP A 48 -0.768 -5.268 8.960 1.00 0.00 H new ATOM 0 HB3 ASP A 48 -1.968 -4.576 10.033 1.00 0.00 H new ATOM 741 N LEU A 49 -3.962 -2.424 7.558 1.00 0.00 N ATOM 742 CA LEU A 49 -5.091 -1.531 7.942 1.00 0.00 C ATOM 743 C LEU A 49 -6.381 -2.345 8.091 1.00 0.00 C ATOM 744 O LEU A 49 -7.263 -1.988 8.846 1.00 0.00 O ATOM 745 CB LEU A 49 -5.206 -0.515 6.798 1.00 0.00 C ATOM 746 CG LEU A 49 -4.012 0.444 6.832 1.00 0.00 C ATOM 747 CD1 LEU A 49 -3.728 0.948 5.414 1.00 0.00 C ATOM 748 CD2 LEU A 49 -4.334 1.636 7.738 1.00 0.00 C ATOM 0 H LEU A 49 -3.621 -2.303 6.604 1.00 0.00 H new ATOM 0 HA LEU A 49 -4.923 -1.036 8.899 1.00 0.00 H new ATOM 0 HB2 LEU A 49 -5.239 -1.034 5.840 1.00 0.00 H new ATOM 0 HB3 LEU A 49 -6.137 0.045 6.889 1.00 0.00 H new ATOM 0 HG LEU A 49 -3.138 -0.079 7.219 1.00 0.00 H new ATOM 0 HD11 LEU A 49 -2.879 1.631 5.434 1.00 0.00 H new ATOM 0 HD12 LEU A 49 -3.498 0.102 4.766 1.00 0.00 H new ATOM 0 HD13 LEU A 49 -4.605 1.470 5.031 1.00 0.00 H new ATOM 0 HD21 LEU A 49 -3.483 2.316 7.760 1.00 0.00 H new ATOM 0 HD22 LEU A 49 -5.208 2.161 7.352 1.00 0.00 H new ATOM 0 HD23 LEU A 49 -4.541 1.280 8.747 1.00 0.00 H new ATOM 760 N GLY A 50 -6.507 -3.428 7.369 1.00 0.00 N ATOM 761 CA GLY A 50 -7.748 -4.243 7.466 1.00 0.00 C ATOM 762 C GLY A 50 -8.710 -3.830 6.352 1.00 0.00 C ATOM 763 O GLY A 50 -8.317 -3.649 5.215 1.00 0.00 O ATOM 0 H GLY A 50 -5.805 -3.780 6.719 1.00 0.00 H new ATOM 0 HA2 GLY A 50 -7.509 -5.303 7.381 1.00 0.00 H new ATOM 0 HA3 GLY A 50 -8.217 -4.099 8.439 1.00 0.00 H new ATOM 767 N GLU A 51 -9.966 -3.677 6.669 1.00 0.00 N ATOM 768 CA GLU A 51 -10.950 -3.269 5.629 1.00 0.00 C ATOM 769 C GLU A 51 -11.495 -1.871 5.937 1.00 0.00 C ATOM 770 O GLU A 51 -11.490 -1.431 7.070 1.00 0.00 O ATOM 771 CB GLU A 51 -12.059 -4.315 5.698 1.00 0.00 C ATOM 772 CG GLU A 51 -12.854 -4.289 4.393 1.00 0.00 C ATOM 773 CD GLU A 51 -13.802 -5.489 4.348 1.00 0.00 C ATOM 774 OE1 GLU A 51 -13.799 -6.257 5.296 1.00 0.00 O ATOM 775 OE2 GLU A 51 -14.514 -5.619 3.366 1.00 0.00 O ATOM 0 H GLU A 51 -10.353 -3.817 7.602 1.00 0.00 H new ATOM 0 HA GLU A 51 -10.506 -3.220 4.635 1.00 0.00 H new ATOM 0 HB2 GLU A 51 -11.632 -5.305 5.859 1.00 0.00 H new ATOM 0 HB3 GLU A 51 -12.717 -4.110 6.543 1.00 0.00 H new ATOM 0 HG2 GLU A 51 -13.421 -3.361 4.319 1.00 0.00 H new ATOM 0 HG3 GLU A 51 -12.175 -4.316 3.541 1.00 0.00 H new ATOM 782 N PHE A 52 -11.821 -1.120 4.922 1.00 0.00 N ATOM 783 CA PHE A 52 -12.198 0.314 5.138 1.00 0.00 C ATOM 784 C PHE A 52 -13.497 0.628 4.394 1.00 0.00 C ATOM 785 O PHE A 52 -13.939 -0.133 3.558 1.00 0.00 O ATOM 786 CB PHE A 52 -11.038 1.183 4.594 1.00 0.00 C ATOM 787 CG PHE A 52 -9.862 0.334 4.157 1.00 0.00 C ATOM 788 CD1 PHE A 52 -9.786 -0.136 2.838 1.00 0.00 C ATOM 789 CD2 PHE A 52 -8.860 0.002 5.079 1.00 0.00 C ATOM 790 CE1 PHE A 52 -8.711 -0.938 2.444 1.00 0.00 C ATOM 791 CE2 PHE A 52 -7.782 -0.797 4.683 1.00 0.00 C ATOM 792 CZ PHE A 52 -7.706 -1.268 3.365 1.00 0.00 C ATOM 0 H PHE A 52 -11.844 -1.433 3.951 1.00 0.00 H new ATOM 0 HA PHE A 52 -12.361 0.519 6.196 1.00 0.00 H new ATOM 0 HB2 PHE A 52 -11.392 1.777 3.751 1.00 0.00 H new ATOM 0 HB3 PHE A 52 -10.715 1.884 5.364 1.00 0.00 H new ATOM 0 HD1 PHE A 52 -10.557 0.121 2.127 1.00 0.00 H new ATOM 0 HD2 PHE A 52 -8.920 0.363 6.095 1.00 0.00 H new ATOM 0 HE1 PHE A 52 -8.654 -1.304 1.429 1.00 0.00 H new ATOM 0 HE2 PHE A 52 -7.009 -1.051 5.393 1.00 0.00 H new ATOM 0 HZ PHE A 52 -6.874 -1.885 3.059 1.00 0.00 H new ATOM 802 N ARG A 53 -14.169 1.681 4.776 1.00 0.00 N ATOM 803 CA ARG A 53 -15.512 1.965 4.186 1.00 0.00 C ATOM 804 C ARG A 53 -15.824 3.462 4.261 1.00 0.00 C ATOM 805 O ARG A 53 -15.059 4.226 4.808 1.00 0.00 O ATOM 806 CB ARG A 53 -16.495 1.175 5.053 1.00 0.00 C ATOM 807 CG ARG A 53 -16.502 1.752 6.470 1.00 0.00 C ATOM 808 CD ARG A 53 -17.290 0.819 7.395 1.00 0.00 C ATOM 809 NE ARG A 53 -17.296 1.505 8.719 1.00 0.00 N ATOM 810 CZ ARG A 53 -16.254 1.434 9.505 1.00 0.00 C ATOM 811 NH1 ARG A 53 -15.187 0.780 9.129 1.00 0.00 N ATOM 812 NH2 ARG A 53 -16.278 2.021 10.670 1.00 0.00 N ATOM 0 H ARG A 53 -13.848 2.356 5.470 1.00 0.00 H new ATOM 0 HA ARG A 53 -15.567 1.683 3.135 1.00 0.00 H new ATOM 0 HB2 ARG A 53 -17.496 1.224 4.624 1.00 0.00 H new ATOM 0 HB3 ARG A 53 -16.210 0.123 5.078 1.00 0.00 H new ATOM 0 HG2 ARG A 53 -15.481 1.865 6.834 1.00 0.00 H new ATOM 0 HG3 ARG A 53 -16.951 2.745 6.468 1.00 0.00 H new ATOM 0 HD2 ARG A 53 -18.304 0.662 7.027 1.00 0.00 H new ATOM 0 HD3 ARG A 53 -16.819 -0.162 7.461 1.00 0.00 H new ATOM 0 HE ARG A 53 -18.118 2.033 9.013 1.00 0.00 H new ATOM 0 HH11 ARG A 53 -15.164 0.322 8.218 1.00 0.00 H new ATOM 0 HH12 ARG A 53 -14.377 0.728 9.746 1.00 0.00 H new ATOM 0 HH21 ARG A 53 -17.109 2.534 10.966 1.00 0.00 H new ATOM 0 HH22 ARG A 53 -15.466 1.967 11.285 1.00 0.00 H new ATOM 826 N GLN A 54 -16.953 3.865 3.718 1.00 0.00 N ATOM 827 CA GLN A 54 -17.375 5.309 3.734 1.00 0.00 C ATOM 828 C GLN A 54 -16.181 6.271 3.799 1.00 0.00 C ATOM 829 O GLN A 54 -15.788 6.837 2.801 1.00 0.00 O ATOM 830 CB GLN A 54 -18.246 5.457 4.982 1.00 0.00 C ATOM 831 CG GLN A 54 -19.570 4.717 4.772 1.00 0.00 C ATOM 832 CD GLN A 54 -20.442 4.865 6.021 1.00 0.00 C ATOM 833 OE1 GLN A 54 -20.070 4.428 7.092 1.00 0.00 O ATOM 834 NE2 GLN A 54 -21.596 5.467 5.927 1.00 0.00 N ATOM 0 H GLN A 54 -17.614 3.241 3.255 1.00 0.00 H new ATOM 0 HA GLN A 54 -17.904 5.565 2.816 1.00 0.00 H new ATOM 0 HB2 GLN A 54 -17.726 5.054 5.851 1.00 0.00 H new ATOM 0 HB3 GLN A 54 -18.435 6.511 5.184 1.00 0.00 H new ATOM 0 HG2 GLN A 54 -20.090 5.120 3.903 1.00 0.00 H new ATOM 0 HG3 GLN A 54 -19.381 3.663 4.570 1.00 0.00 H new ATOM 0 HE21 GLN A 54 -21.908 5.834 5.028 1.00 0.00 H new ATOM 0 HE22 GLN A 54 -22.186 5.571 6.753 1.00 0.00 H new ATOM 843 N GLY A 55 -15.672 6.539 4.975 1.00 0.00 N ATOM 844 CA GLY A 55 -14.580 7.551 5.113 1.00 0.00 C ATOM 845 C GLY A 55 -13.405 7.192 4.194 1.00 0.00 C ATOM 846 O GLY A 55 -13.523 7.214 2.988 1.00 0.00 O ATOM 0 H GLY A 55 -15.966 6.100 5.847 1.00 0.00 H new ATOM 0 HA2 GLY A 55 -14.959 8.542 4.861 1.00 0.00 H new ATOM 0 HA3 GLY A 55 -14.242 7.593 6.148 1.00 0.00 H new ATOM 850 N GLN A 56 -12.252 6.929 4.757 1.00 0.00 N ATOM 851 CA GLN A 56 -11.046 6.648 3.914 1.00 0.00 C ATOM 852 C GLN A 56 -10.654 7.898 3.134 1.00 0.00 C ATOM 853 O GLN A 56 -9.676 8.555 3.430 1.00 0.00 O ATOM 854 CB GLN A 56 -11.473 5.547 2.939 1.00 0.00 C ATOM 855 CG GLN A 56 -12.309 4.495 3.674 1.00 0.00 C ATOM 856 CD GLN A 56 -11.609 4.124 4.983 1.00 0.00 C ATOM 857 OE1 GLN A 56 -10.419 3.880 5.000 1.00 0.00 O ATOM 858 NE2 GLN A 56 -12.298 4.092 6.087 1.00 0.00 N ATOM 0 H GLN A 56 -12.092 6.896 5.764 1.00 0.00 H new ATOM 0 HA GLN A 56 -10.190 6.349 4.520 1.00 0.00 H new ATOM 0 HB2 GLN A 56 -12.051 5.977 2.121 1.00 0.00 H new ATOM 0 HB3 GLN A 56 -10.593 5.080 2.496 1.00 0.00 H new ATOM 0 HG2 GLN A 56 -13.307 4.883 3.878 1.00 0.00 H new ATOM 0 HG3 GLN A 56 -12.433 3.610 3.050 1.00 0.00 H new ATOM 0 HE21 GLN A 56 -13.297 4.297 6.071 1.00 0.00 H new ATOM 0 HE22 GLN A 56 -11.839 3.862 6.968 1.00 0.00 H new ATOM 867 N MET A 57 -11.508 8.303 2.245 1.00 0.00 N ATOM 868 CA MET A 57 -11.324 9.605 1.543 1.00 0.00 C ATOM 869 C MET A 57 -10.073 9.604 0.657 1.00 0.00 C ATOM 870 O MET A 57 -10.117 10.034 -0.478 1.00 0.00 O ATOM 871 CB MET A 57 -11.168 10.634 2.660 1.00 0.00 C ATOM 872 CG MET A 57 -11.379 12.038 2.091 1.00 0.00 C ATOM 873 SD MET A 57 -10.908 13.267 3.331 1.00 0.00 S ATOM 874 CE MET A 57 -9.124 12.976 3.259 1.00 0.00 C ATOM 0 H MET A 57 -12.340 7.782 1.968 1.00 0.00 H new ATOM 0 HA MET A 57 -12.165 9.817 0.882 1.00 0.00 H new ATOM 0 HB2 MET A 57 -11.890 10.439 3.453 1.00 0.00 H new ATOM 0 HB3 MET A 57 -10.176 10.556 3.106 1.00 0.00 H new ATOM 0 HG2 MET A 57 -10.783 12.170 1.188 1.00 0.00 H new ATOM 0 HG3 MET A 57 -12.422 12.174 1.807 1.00 0.00 H new ATOM 0 HE1 MET A 57 -8.600 13.932 3.247 1.00 0.00 H new ATOM 0 HE2 MET A 57 -8.813 12.403 4.133 1.00 0.00 H new ATOM 0 HE3 MET A 57 -8.883 12.418 2.354 1.00 0.00 H new ATOM 884 N VAL A 58 -8.929 9.327 1.224 1.00 0.00 N ATOM 885 CA VAL A 58 -7.657 9.541 0.466 1.00 0.00 C ATOM 886 C VAL A 58 -7.804 9.045 -0.976 1.00 0.00 C ATOM 887 O VAL A 58 -8.460 8.054 -1.230 1.00 0.00 O ATOM 888 CB VAL A 58 -6.597 8.731 1.212 1.00 0.00 C ATOM 889 CG1 VAL A 58 -7.162 7.350 1.535 1.00 0.00 C ATOM 890 CG2 VAL A 58 -5.346 8.588 0.337 1.00 0.00 C ATOM 0 H VAL A 58 -8.818 8.965 2.171 1.00 0.00 H new ATOM 0 HA VAL A 58 -7.390 10.596 0.409 1.00 0.00 H new ATOM 0 HB VAL A 58 -6.327 9.242 2.136 1.00 0.00 H new ATOM 0 HG11 VAL A 58 -6.412 6.765 2.067 1.00 0.00 H new ATOM 0 HG12 VAL A 58 -8.049 7.457 2.159 1.00 0.00 H new ATOM 0 HG13 VAL A 58 -7.429 6.840 0.609 1.00 0.00 H new ATOM 0 HG21 VAL A 58 -4.592 8.010 0.872 1.00 0.00 H new ATOM 0 HG22 VAL A 58 -5.606 8.076 -0.589 1.00 0.00 H new ATOM 0 HG23 VAL A 58 -4.949 9.576 0.106 1.00 0.00 H new ATOM 900 N PRO A 59 -7.280 9.827 -1.879 1.00 0.00 N ATOM 901 CA PRO A 59 -7.452 9.559 -3.328 1.00 0.00 C ATOM 902 C PRO A 59 -6.657 8.323 -3.757 1.00 0.00 C ATOM 903 O PRO A 59 -7.175 7.437 -4.407 1.00 0.00 O ATOM 904 CB PRO A 59 -6.894 10.812 -4.000 1.00 0.00 C ATOM 905 CG PRO A 59 -5.980 11.432 -2.988 1.00 0.00 C ATOM 906 CD PRO A 59 -6.481 11.029 -1.625 1.00 0.00 C ATOM 0 HA PRO A 59 -8.490 9.358 -3.594 1.00 0.00 H new ATOM 0 HB2 PRO A 59 -6.356 10.561 -4.914 1.00 0.00 H new ATOM 0 HB3 PRO A 59 -7.694 11.498 -4.279 1.00 0.00 H new ATOM 0 HG2 PRO A 59 -4.955 11.092 -3.137 1.00 0.00 H new ATOM 0 HG3 PRO A 59 -5.974 12.517 -3.090 1.00 0.00 H new ATOM 0 HD2 PRO A 59 -5.657 10.823 -0.942 1.00 0.00 H new ATOM 0 HD3 PRO A 59 -7.081 11.818 -1.171 1.00 0.00 H new ATOM 914 N ALA A 60 -5.378 8.307 -3.493 1.00 0.00 N ATOM 915 CA ALA A 60 -4.528 7.188 -3.994 1.00 0.00 C ATOM 916 C ALA A 60 -5.242 5.850 -3.808 1.00 0.00 C ATOM 917 O ALA A 60 -5.103 4.944 -4.606 1.00 0.00 O ATOM 918 CB ALA A 60 -3.256 7.241 -3.146 1.00 0.00 C ATOM 0 H ALA A 60 -4.886 9.019 -2.953 1.00 0.00 H new ATOM 0 HA ALA A 60 -4.312 7.284 -5.058 1.00 0.00 H new ATOM 0 HB1 ALA A 60 -2.579 6.445 -3.456 1.00 0.00 H new ATOM 0 HB2 ALA A 60 -2.768 8.206 -3.282 1.00 0.00 H new ATOM 0 HB3 ALA A 60 -3.514 7.109 -2.095 1.00 0.00 H new ATOM 924 N PHE A 61 -5.996 5.713 -2.756 1.00 0.00 N ATOM 925 CA PHE A 61 -6.706 4.427 -2.515 1.00 0.00 C ATOM 926 C PHE A 61 -7.652 4.122 -3.680 1.00 0.00 C ATOM 927 O PHE A 61 -7.737 3.005 -4.150 1.00 0.00 O ATOM 928 CB PHE A 61 -7.498 4.652 -1.227 1.00 0.00 C ATOM 929 CG PHE A 61 -8.130 3.353 -0.795 1.00 0.00 C ATOM 930 CD1 PHE A 61 -9.413 3.009 -1.246 1.00 0.00 C ATOM 931 CD2 PHE A 61 -7.432 2.490 0.060 1.00 0.00 C ATOM 932 CE1 PHE A 61 -9.996 1.799 -0.840 1.00 0.00 C ATOM 933 CE2 PHE A 61 -8.013 1.282 0.465 1.00 0.00 C ATOM 934 CZ PHE A 61 -9.295 0.936 0.015 1.00 0.00 C ATOM 0 H PHE A 61 -6.152 6.435 -2.052 1.00 0.00 H new ATOM 0 HA PHE A 61 -6.021 3.583 -2.432 1.00 0.00 H new ATOM 0 HB2 PHE A 61 -6.840 5.028 -0.443 1.00 0.00 H new ATOM 0 HB3 PHE A 61 -8.267 5.408 -1.387 1.00 0.00 H new ATOM 0 HD1 PHE A 61 -9.951 3.674 -1.905 1.00 0.00 H new ATOM 0 HD2 PHE A 61 -6.445 2.757 0.407 1.00 0.00 H new ATOM 0 HE1 PHE A 61 -10.984 1.532 -1.186 1.00 0.00 H new ATOM 0 HE2 PHE A 61 -7.474 0.617 1.124 1.00 0.00 H new ATOM 0 HZ PHE A 61 -9.743 0.004 0.327 1.00 0.00 H new ATOM 944 N ASP A 62 -8.380 5.107 -4.135 1.00 0.00 N ATOM 945 CA ASP A 62 -9.341 4.874 -5.254 1.00 0.00 C ATOM 946 C ASP A 62 -8.592 4.579 -6.551 1.00 0.00 C ATOM 947 O ASP A 62 -8.968 3.708 -7.306 1.00 0.00 O ATOM 948 CB ASP A 62 -10.129 6.180 -5.374 1.00 0.00 C ATOM 949 CG ASP A 62 -11.204 6.031 -6.453 1.00 0.00 C ATOM 950 OD1 ASP A 62 -11.073 5.138 -7.273 1.00 0.00 O ATOM 951 OD2 ASP A 62 -12.141 6.813 -6.439 1.00 0.00 O ATOM 0 H ASP A 62 -8.351 6.063 -3.781 1.00 0.00 H new ATOM 0 HA ASP A 62 -9.990 4.018 -5.067 1.00 0.00 H new ATOM 0 HB2 ASP A 62 -10.590 6.428 -4.418 1.00 0.00 H new ATOM 0 HB3 ASP A 62 -9.457 7.001 -5.626 1.00 0.00 H new ATOM 956 N LYS A 63 -7.579 5.335 -6.852 1.00 0.00 N ATOM 957 CA LYS A 63 -6.873 5.129 -8.145 1.00 0.00 C ATOM 958 C LYS A 63 -6.382 3.682 -8.257 1.00 0.00 C ATOM 959 O LYS A 63 -6.513 3.058 -9.289 1.00 0.00 O ATOM 960 CB LYS A 63 -5.692 6.099 -8.118 1.00 0.00 C ATOM 961 CG LYS A 63 -4.896 5.963 -9.418 1.00 0.00 C ATOM 962 CD LYS A 63 -5.730 6.496 -10.585 1.00 0.00 C ATOM 963 CE LYS A 63 -4.976 6.269 -11.896 1.00 0.00 C ATOM 964 NZ LYS A 63 -5.964 5.605 -12.793 1.00 0.00 N ATOM 0 H LYS A 63 -7.210 6.082 -6.264 1.00 0.00 H new ATOM 0 HA LYS A 63 -7.523 5.309 -9.001 1.00 0.00 H new ATOM 0 HB2 LYS A 63 -6.050 7.122 -8.002 1.00 0.00 H new ATOM 0 HB3 LYS A 63 -5.052 5.887 -7.262 1.00 0.00 H new ATOM 0 HG2 LYS A 63 -3.960 6.517 -9.343 1.00 0.00 H new ATOM 0 HG3 LYS A 63 -4.636 4.919 -9.590 1.00 0.00 H new ATOM 0 HD2 LYS A 63 -6.696 5.991 -10.616 1.00 0.00 H new ATOM 0 HD3 LYS A 63 -5.930 7.559 -10.447 1.00 0.00 H new ATOM 0 HE2 LYS A 63 -4.627 7.211 -12.320 1.00 0.00 H new ATOM 0 HE3 LYS A 63 -4.097 5.643 -11.743 1.00 0.00 H new ATOM 0 HZ1 LYS A 63 -5.523 5.415 -13.715 1.00 0.00 H new ATOM 0 HZ2 LYS A 63 -6.273 4.708 -12.366 1.00 0.00 H new ATOM 0 HZ3 LYS A 63 -6.787 6.227 -12.924 1.00 0.00 H new ATOM 978 N VAL A 64 -5.707 3.190 -7.252 1.00 0.00 N ATOM 979 CA VAL A 64 -5.084 1.837 -7.375 1.00 0.00 C ATOM 980 C VAL A 64 -6.146 0.732 -7.409 1.00 0.00 C ATOM 981 O VAL A 64 -6.154 -0.081 -8.310 1.00 0.00 O ATOM 982 CB VAL A 64 -4.181 1.678 -6.149 1.00 0.00 C ATOM 983 CG1 VAL A 64 -4.988 1.912 -4.868 1.00 0.00 C ATOM 984 CG2 VAL A 64 -3.607 0.260 -6.127 1.00 0.00 C ATOM 0 H VAL A 64 -5.560 3.660 -6.359 1.00 0.00 H new ATOM 0 HA VAL A 64 -4.522 1.750 -8.305 1.00 0.00 H new ATOM 0 HB VAL A 64 -3.373 2.408 -6.203 1.00 0.00 H new ATOM 0 HG11 VAL A 64 -4.337 1.797 -4.002 1.00 0.00 H new ATOM 0 HG12 VAL A 64 -5.403 2.920 -4.878 1.00 0.00 H new ATOM 0 HG13 VAL A 64 -5.799 1.186 -4.811 1.00 0.00 H new ATOM 0 HG21 VAL A 64 -2.963 0.142 -5.256 1.00 0.00 H new ATOM 0 HG22 VAL A 64 -4.422 -0.462 -6.076 1.00 0.00 H new ATOM 0 HG23 VAL A 64 -3.026 0.088 -7.033 1.00 0.00 H new ATOM 994 N VAL A 65 -7.114 0.754 -6.533 1.00 0.00 N ATOM 995 CA VAL A 65 -8.220 -0.238 -6.672 1.00 0.00 C ATOM 996 C VAL A 65 -8.882 -0.076 -8.045 1.00 0.00 C ATOM 997 O VAL A 65 -9.359 -1.029 -8.631 1.00 0.00 O ATOM 998 CB VAL A 65 -9.208 0.050 -5.538 1.00 0.00 C ATOM 999 CG1 VAL A 65 -10.006 1.317 -5.843 1.00 0.00 C ATOM 1000 CG2 VAL A 65 -10.170 -1.134 -5.402 1.00 0.00 C ATOM 0 H VAL A 65 -7.188 1.398 -5.746 1.00 0.00 H new ATOM 0 HA VAL A 65 -7.860 -1.265 -6.606 1.00 0.00 H new ATOM 0 HB VAL A 65 -8.657 0.194 -4.609 1.00 0.00 H new ATOM 0 HG11 VAL A 65 -10.705 1.511 -5.030 1.00 0.00 H new ATOM 0 HG12 VAL A 65 -9.324 2.161 -5.945 1.00 0.00 H new ATOM 0 HG13 VAL A 65 -10.559 1.184 -6.773 1.00 0.00 H new ATOM 0 HG21 VAL A 65 -10.877 -0.937 -4.596 1.00 0.00 H new ATOM 0 HG22 VAL A 65 -10.714 -1.270 -6.337 1.00 0.00 H new ATOM 0 HG23 VAL A 65 -9.605 -2.038 -5.176 1.00 0.00 H new ATOM 1010 N PHE A 66 -8.809 1.102 -8.612 1.00 0.00 N ATOM 1011 CA PHE A 66 -9.315 1.297 -10.005 1.00 0.00 C ATOM 1012 C PHE A 66 -8.157 1.187 -11.009 1.00 0.00 C ATOM 1013 O PHE A 66 -8.359 1.173 -12.207 1.00 0.00 O ATOM 1014 CB PHE A 66 -9.910 2.706 -10.011 1.00 0.00 C ATOM 1015 CG PHE A 66 -11.353 2.649 -9.566 1.00 0.00 C ATOM 1016 CD1 PHE A 66 -11.674 2.769 -8.206 1.00 0.00 C ATOM 1017 CD2 PHE A 66 -12.371 2.483 -10.514 1.00 0.00 C ATOM 1018 CE1 PHE A 66 -13.012 2.723 -7.794 1.00 0.00 C ATOM 1019 CE2 PHE A 66 -13.711 2.435 -10.102 1.00 0.00 C ATOM 1020 CZ PHE A 66 -14.031 2.555 -8.742 1.00 0.00 C ATOM 0 H PHE A 66 -8.421 1.936 -8.171 1.00 0.00 H new ATOM 0 HA PHE A 66 -10.050 0.545 -10.292 1.00 0.00 H new ATOM 0 HB2 PHE A 66 -9.340 3.355 -9.347 1.00 0.00 H new ATOM 0 HB3 PHE A 66 -9.844 3.135 -11.011 1.00 0.00 H new ATOM 0 HD1 PHE A 66 -10.889 2.897 -7.476 1.00 0.00 H new ATOM 0 HD2 PHE A 66 -12.124 2.392 -11.561 1.00 0.00 H new ATOM 0 HE1 PHE A 66 -13.258 2.817 -6.747 1.00 0.00 H new ATOM 0 HE2 PHE A 66 -14.496 2.306 -10.832 1.00 0.00 H new ATOM 0 HZ PHE A 66 -15.063 2.518 -8.425 1.00 0.00 H new ATOM 1030 N SER A 67 -6.963 0.988 -10.519 1.00 0.00 N ATOM 1031 CA SER A 67 -5.803 0.736 -11.421 1.00 0.00 C ATOM 1032 C SER A 67 -5.549 -0.769 -11.525 1.00 0.00 C ATOM 1033 O SER A 67 -5.636 -1.354 -12.587 1.00 0.00 O ATOM 1034 CB SER A 67 -4.613 1.425 -10.751 1.00 0.00 C ATOM 1035 OG SER A 67 -3.532 1.497 -11.668 1.00 0.00 O ATOM 0 H SER A 67 -6.740 0.989 -9.524 1.00 0.00 H new ATOM 0 HA SER A 67 -5.975 1.113 -12.429 1.00 0.00 H new ATOM 0 HB2 SER A 67 -4.895 2.426 -10.425 1.00 0.00 H new ATOM 0 HB3 SER A 67 -4.313 0.872 -9.861 1.00 0.00 H new ATOM 0 HG SER A 67 -2.769 1.940 -11.241 1.00 0.00 H new ATOM 1041 N CYS A 68 -5.291 -1.408 -10.415 1.00 0.00 N ATOM 1042 CA CYS A 68 -5.096 -2.886 -10.429 1.00 0.00 C ATOM 1043 C CYS A 68 -6.309 -3.584 -9.807 1.00 0.00 C ATOM 1044 O CYS A 68 -6.943 -3.054 -8.916 1.00 0.00 O ATOM 1045 CB CYS A 68 -3.846 -3.133 -9.583 1.00 0.00 C ATOM 1046 SG CYS A 68 -4.073 -2.411 -7.938 1.00 0.00 S ATOM 0 H CYS A 68 -5.207 -0.969 -9.498 1.00 0.00 H new ATOM 0 HA CYS A 68 -4.986 -3.277 -11.441 1.00 0.00 H new ATOM 0 HB2 CYS A 68 -3.657 -4.203 -9.499 1.00 0.00 H new ATOM 0 HB3 CYS A 68 -2.974 -2.693 -10.067 1.00 0.00 H new ATOM 0 HG CYS A 68 -3.627 -3.235 -7.037 1.00 0.00 H new ATOM 1052 N PRO A 69 -6.592 -4.754 -10.308 1.00 0.00 N ATOM 1053 CA PRO A 69 -7.742 -5.543 -9.805 1.00 0.00 C ATOM 1054 C PRO A 69 -7.450 -6.093 -8.407 1.00 0.00 C ATOM 1055 O PRO A 69 -6.337 -6.035 -7.924 1.00 0.00 O ATOM 1056 CB PRO A 69 -7.870 -6.680 -10.814 1.00 0.00 C ATOM 1057 CG PRO A 69 -6.517 -6.803 -11.442 1.00 0.00 C ATOM 1058 CD PRO A 69 -5.870 -5.445 -11.382 1.00 0.00 C ATOM 0 HA PRO A 69 -8.653 -4.952 -9.715 1.00 0.00 H new ATOM 0 HB2 PRO A 69 -8.163 -7.609 -10.325 1.00 0.00 H new ATOM 0 HB3 PRO A 69 -8.632 -6.459 -11.561 1.00 0.00 H new ATOM 0 HG2 PRO A 69 -5.913 -7.540 -10.912 1.00 0.00 H new ATOM 0 HG3 PRO A 69 -6.602 -7.143 -12.474 1.00 0.00 H new ATOM 0 HD2 PRO A 69 -4.805 -5.520 -11.163 1.00 0.00 H new ATOM 0 HD3 PRO A 69 -5.964 -4.916 -12.330 1.00 0.00 H new ATOM 1066 N VAL A 70 -8.439 -6.658 -7.772 1.00 0.00 N ATOM 1067 CA VAL A 70 -8.226 -7.252 -6.422 1.00 0.00 C ATOM 1068 C VAL A 70 -7.148 -8.340 -6.488 1.00 0.00 C ATOM 1069 O VAL A 70 -6.818 -8.836 -7.547 1.00 0.00 O ATOM 1070 CB VAL A 70 -9.584 -7.855 -6.061 1.00 0.00 C ATOM 1071 CG1 VAL A 70 -9.976 -8.884 -7.123 1.00 0.00 C ATOM 1072 CG2 VAL A 70 -9.513 -8.531 -4.689 1.00 0.00 C ATOM 0 H VAL A 70 -9.390 -6.734 -8.132 1.00 0.00 H new ATOM 0 HA VAL A 70 -7.887 -6.523 -5.686 1.00 0.00 H new ATOM 0 HB VAL A 70 -10.331 -7.062 -6.023 1.00 0.00 H new ATOM 0 HG11 VAL A 70 -10.944 -9.317 -6.870 1.00 0.00 H new ATOM 0 HG12 VAL A 70 -10.039 -8.397 -8.096 1.00 0.00 H new ATOM 0 HG13 VAL A 70 -9.224 -9.672 -7.161 1.00 0.00 H new ATOM 0 HG21 VAL A 70 -10.486 -8.957 -4.442 1.00 0.00 H new ATOM 0 HG22 VAL A 70 -8.765 -9.324 -4.712 1.00 0.00 H new ATOM 0 HG23 VAL A 70 -9.238 -7.794 -3.934 1.00 0.00 H new ATOM 1082 N LEU A 71 -6.541 -8.655 -5.375 1.00 0.00 N ATOM 1083 CA LEU A 71 -5.419 -9.640 -5.381 1.00 0.00 C ATOM 1084 C LEU A 71 -4.320 -9.175 -6.337 1.00 0.00 C ATOM 1085 O LEU A 71 -3.729 -9.964 -7.048 1.00 0.00 O ATOM 1086 CB LEU A 71 -6.031 -10.953 -5.872 1.00 0.00 C ATOM 1087 CG LEU A 71 -7.033 -11.473 -4.841 1.00 0.00 C ATOM 1088 CD1 LEU A 71 -8.455 -11.182 -5.323 1.00 0.00 C ATOM 1089 CD2 LEU A 71 -6.853 -12.985 -4.674 1.00 0.00 C ATOM 0 H LEU A 71 -6.774 -8.272 -4.459 1.00 0.00 H new ATOM 0 HA LEU A 71 -4.966 -9.750 -4.396 1.00 0.00 H new ATOM 0 HB2 LEU A 71 -6.528 -10.798 -6.830 1.00 0.00 H new ATOM 0 HB3 LEU A 71 -5.247 -11.692 -6.036 1.00 0.00 H new ATOM 0 HG LEU A 71 -6.863 -10.977 -3.885 1.00 0.00 H new ATOM 0 HD11 LEU A 71 -9.171 -11.552 -4.589 1.00 0.00 H new ATOM 0 HD12 LEU A 71 -8.585 -10.107 -5.446 1.00 0.00 H new ATOM 0 HD13 LEU A 71 -8.624 -11.679 -6.278 1.00 0.00 H new ATOM 0 HD21 LEU A 71 -7.567 -13.357 -3.939 1.00 0.00 H new ATOM 0 HD22 LEU A 71 -7.025 -13.480 -5.630 1.00 0.00 H new ATOM 0 HD23 LEU A 71 -5.839 -13.195 -4.334 1.00 0.00 H new ATOM 1101 N GLU A 72 -4.044 -7.902 -6.361 1.00 0.00 N ATOM 1102 CA GLU A 72 -2.985 -7.389 -7.273 1.00 0.00 C ATOM 1103 C GLU A 72 -2.297 -6.172 -6.649 1.00 0.00 C ATOM 1104 O GLU A 72 -2.756 -5.056 -6.797 1.00 0.00 O ATOM 1105 CB GLU A 72 -3.723 -6.992 -8.552 1.00 0.00 C ATOM 1106 CG GLU A 72 -2.777 -7.119 -9.749 1.00 0.00 C ATOM 1107 CD GLU A 72 -1.510 -6.302 -9.490 1.00 0.00 C ATOM 1108 OE1 GLU A 72 -0.735 -6.701 -8.636 1.00 0.00 O ATOM 1109 OE2 GLU A 72 -1.336 -5.291 -10.150 1.00 0.00 O ATOM 0 H GLU A 72 -4.505 -7.195 -5.789 1.00 0.00 H new ATOM 0 HA GLU A 72 -2.208 -8.129 -7.465 1.00 0.00 H new ATOM 0 HB2 GLU A 72 -4.595 -7.631 -8.695 1.00 0.00 H new ATOM 0 HB3 GLU A 72 -4.088 -5.968 -8.471 1.00 0.00 H new ATOM 0 HG2 GLU A 72 -2.520 -8.166 -9.913 1.00 0.00 H new ATOM 0 HG3 GLU A 72 -3.271 -6.766 -10.655 1.00 0.00 H new ATOM 1116 N PRO A 73 -1.216 -6.431 -5.967 1.00 0.00 N ATOM 1117 CA PRO A 73 -0.456 -5.343 -5.309 1.00 0.00 C ATOM 1118 C PRO A 73 0.092 -4.372 -6.359 1.00 0.00 C ATOM 1119 O PRO A 73 0.676 -4.777 -7.345 1.00 0.00 O ATOM 1120 CB PRO A 73 0.687 -6.061 -4.588 1.00 0.00 C ATOM 1121 CG PRO A 73 0.320 -7.514 -4.587 1.00 0.00 C ATOM 1122 CD PRO A 73 -0.609 -7.744 -5.747 1.00 0.00 C ATOM 0 HA PRO A 73 -1.069 -4.753 -4.627 1.00 0.00 H new ATOM 0 HB2 PRO A 73 1.636 -5.898 -5.099 1.00 0.00 H new ATOM 0 HB3 PRO A 73 0.804 -5.687 -3.571 1.00 0.00 H new ATOM 0 HG2 PRO A 73 1.211 -8.135 -4.680 1.00 0.00 H new ATOM 0 HG3 PRO A 73 -0.163 -7.787 -3.649 1.00 0.00 H new ATOM 0 HD2 PRO A 73 -0.071 -8.090 -6.629 1.00 0.00 H new ATOM 0 HD3 PRO A 73 -1.360 -8.499 -5.516 1.00 0.00 H new ATOM 1130 N THR A 74 -0.115 -3.099 -6.170 1.00 0.00 N ATOM 1131 CA THR A 74 0.368 -2.111 -7.177 1.00 0.00 C ATOM 1132 C THR A 74 1.031 -0.920 -6.481 1.00 0.00 C ATOM 1133 O THR A 74 0.589 -0.468 -5.443 1.00 0.00 O ATOM 1134 CB THR A 74 -0.886 -1.665 -7.929 1.00 0.00 C ATOM 1135 OG1 THR A 74 -1.393 -2.754 -8.687 1.00 0.00 O ATOM 1136 CG2 THR A 74 -0.539 -0.506 -8.864 1.00 0.00 C ATOM 0 H THR A 74 -0.596 -2.700 -5.364 1.00 0.00 H new ATOM 0 HA THR A 74 1.114 -2.538 -7.847 1.00 0.00 H new ATOM 0 HB THR A 74 -1.641 -1.336 -7.215 1.00 0.00 H new ATOM 0 HG1 THR A 74 -2.164 -3.144 -8.224 1.00 0.00 H new ATOM 0 HG21 THR A 74 -1.434 -0.190 -9.399 1.00 0.00 H new ATOM 0 HG22 THR A 74 -0.151 0.329 -8.280 1.00 0.00 H new ATOM 0 HG23 THR A 74 0.216 -0.830 -9.580 1.00 0.00 H new ATOM 1144 N GLY A 75 2.106 -0.426 -7.031 1.00 0.00 N ATOM 1145 CA GLY A 75 2.819 0.715 -6.390 1.00 0.00 C ATOM 1146 C GLY A 75 4.316 0.615 -6.704 1.00 0.00 C ATOM 1147 O GLY A 75 4.720 -0.205 -7.505 1.00 0.00 O ATOM 0 H GLY A 75 2.522 -0.764 -7.899 1.00 0.00 H new ATOM 0 HA2 GLY A 75 2.421 1.661 -6.757 1.00 0.00 H new ATOM 0 HA3 GLY A 75 2.660 0.699 -5.312 1.00 0.00 H new ATOM 1151 N PRO A 76 5.106 1.428 -6.042 1.00 0.00 N ATOM 1152 CA PRO A 76 4.574 2.419 -5.069 1.00 0.00 C ATOM 1153 C PRO A 76 3.945 3.611 -5.800 1.00 0.00 C ATOM 1154 O PRO A 76 4.508 4.143 -6.736 1.00 0.00 O ATOM 1155 CB PRO A 76 5.811 2.850 -4.285 1.00 0.00 C ATOM 1156 CG PRO A 76 6.969 2.595 -5.201 1.00 0.00 C ATOM 1157 CD PRO A 76 6.568 1.489 -6.144 1.00 0.00 C ATOM 0 HA PRO A 76 3.790 2.012 -4.430 1.00 0.00 H new ATOM 0 HB2 PRO A 76 5.754 3.902 -4.007 1.00 0.00 H new ATOM 0 HB3 PRO A 76 5.908 2.281 -3.360 1.00 0.00 H new ATOM 0 HG2 PRO A 76 7.225 3.498 -5.756 1.00 0.00 H new ATOM 0 HG3 PRO A 76 7.853 2.310 -4.631 1.00 0.00 H new ATOM 0 HD2 PRO A 76 6.886 1.703 -7.164 1.00 0.00 H new ATOM 0 HD3 PRO A 76 7.025 0.541 -5.860 1.00 0.00 H new ATOM 1165 N LEU A 77 2.800 4.056 -5.354 1.00 0.00 N ATOM 1166 CA LEU A 77 2.157 5.241 -5.994 1.00 0.00 C ATOM 1167 C LEU A 77 2.560 6.519 -5.252 1.00 0.00 C ATOM 1168 O LEU A 77 3.469 6.513 -4.450 1.00 0.00 O ATOM 1169 CB LEU A 77 0.652 4.998 -5.875 1.00 0.00 C ATOM 1170 CG LEU A 77 0.217 3.982 -6.934 1.00 0.00 C ATOM 1171 CD1 LEU A 77 -1.224 3.548 -6.664 1.00 0.00 C ATOM 1172 CD2 LEU A 77 0.308 4.624 -8.321 1.00 0.00 C ATOM 0 H LEU A 77 2.282 3.650 -4.574 1.00 0.00 H new ATOM 0 HA LEU A 77 2.461 5.365 -7.033 1.00 0.00 H new ATOM 0 HB2 LEU A 77 0.410 4.628 -4.879 1.00 0.00 H new ATOM 0 HB3 LEU A 77 0.109 5.934 -6.008 1.00 0.00 H new ATOM 0 HG LEU A 77 0.870 3.110 -6.893 1.00 0.00 H new ATOM 0 HD11 LEU A 77 -1.533 2.825 -7.418 1.00 0.00 H new ATOM 0 HD12 LEU A 77 -1.288 3.092 -5.676 1.00 0.00 H new ATOM 0 HD13 LEU A 77 -1.880 4.418 -6.705 1.00 0.00 H new ATOM 0 HD21 LEU A 77 -0.001 3.902 -9.077 1.00 0.00 H new ATOM 0 HD22 LEU A 77 -0.346 5.495 -8.362 1.00 0.00 H new ATOM 0 HD23 LEU A 77 1.336 4.932 -8.513 1.00 0.00 H new ATOM 1184 N HIS A 78 1.978 7.633 -5.599 1.00 0.00 N ATOM 1185 CA HIS A 78 2.437 8.918 -4.997 1.00 0.00 C ATOM 1186 C HIS A 78 1.371 9.510 -4.068 1.00 0.00 C ATOM 1187 O HIS A 78 0.323 9.940 -4.505 1.00 0.00 O ATOM 1188 CB HIS A 78 2.682 9.843 -6.189 1.00 0.00 C ATOM 1189 CG HIS A 78 3.842 9.321 -6.990 1.00 0.00 C ATOM 1190 ND1 HIS A 78 3.762 9.105 -8.356 1.00 0.00 N ATOM 1191 CD2 HIS A 78 5.115 8.961 -6.626 1.00 0.00 C ATOM 1192 CE1 HIS A 78 4.955 8.633 -8.762 1.00 0.00 C ATOM 1193 NE2 HIS A 78 5.817 8.526 -7.747 1.00 0.00 N ATOM 0 H HIS A 78 1.211 7.711 -6.267 1.00 0.00 H new ATOM 0 HA HIS A 78 3.329 8.781 -4.386 1.00 0.00 H new ATOM 0 HB2 HIS A 78 1.789 9.897 -6.812 1.00 0.00 H new ATOM 0 HB3 HIS A 78 2.890 10.855 -5.842 1.00 0.00 H new ATOM 0 HD2 HIS A 78 5.512 9.008 -5.623 1.00 0.00 H new ATOM 0 HE1 HIS A 78 5.187 8.372 -9.784 1.00 0.00 H new ATOM 0 HE2 HIS A 78 6.782 8.197 -7.785 1.00 0.00 H new ATOM 1201 N THR A 79 1.718 9.705 -2.823 1.00 0.00 N ATOM 1202 CA THR A 79 0.821 10.469 -1.904 1.00 0.00 C ATOM 1203 C THR A 79 1.661 11.416 -1.043 1.00 0.00 C ATOM 1204 O THR A 79 2.872 11.329 -1.013 1.00 0.00 O ATOM 1205 CB THR A 79 0.119 9.424 -1.030 1.00 0.00 C ATOM 1206 OG1 THR A 79 -0.821 10.076 -0.189 1.00 0.00 O ATOM 1207 CG2 THR A 79 1.152 8.693 -0.169 1.00 0.00 C ATOM 0 H THR A 79 2.584 9.368 -2.402 1.00 0.00 H new ATOM 0 HA THR A 79 0.095 11.073 -2.448 1.00 0.00 H new ATOM 0 HB THR A 79 -0.393 8.702 -1.666 1.00 0.00 H new ATOM 0 HG1 THR A 79 -1.274 9.412 0.371 1.00 0.00 H new ATOM 0 HG21 THR A 79 0.649 7.951 0.451 1.00 0.00 H new ATOM 0 HG22 THR A 79 1.877 8.196 -0.814 1.00 0.00 H new ATOM 0 HG23 THR A 79 1.667 9.411 0.470 1.00 0.00 H new ATOM 1215 N GLN A 80 1.038 12.374 -0.415 1.00 0.00 N ATOM 1216 CA GLN A 80 1.815 13.393 0.350 1.00 0.00 C ATOM 1217 C GLN A 80 2.734 12.715 1.373 1.00 0.00 C ATOM 1218 O GLN A 80 3.825 13.178 1.639 1.00 0.00 O ATOM 1219 CB GLN A 80 0.759 14.244 1.055 1.00 0.00 C ATOM 1220 CG GLN A 80 1.444 15.365 1.840 1.00 0.00 C ATOM 1221 CD GLN A 80 0.385 16.215 2.544 1.00 0.00 C ATOM 1222 OE1 GLN A 80 -0.527 15.689 3.151 1.00 0.00 O ATOM 1223 NE2 GLN A 80 0.467 17.515 2.489 1.00 0.00 N ATOM 0 H GLN A 80 0.026 12.497 -0.397 1.00 0.00 H new ATOM 0 HA GLN A 80 2.458 13.990 -0.297 1.00 0.00 H new ATOM 0 HB2 GLN A 80 0.070 14.667 0.324 1.00 0.00 H new ATOM 0 HB3 GLN A 80 0.167 13.624 1.728 1.00 0.00 H new ATOM 0 HG2 GLN A 80 2.132 14.943 2.572 1.00 0.00 H new ATOM 0 HG3 GLN A 80 2.036 15.986 1.167 1.00 0.00 H new ATOM 0 HE21 GLN A 80 1.232 17.957 1.980 1.00 0.00 H new ATOM 0 HE22 GLN A 80 -0.234 18.090 2.955 1.00 0.00 H new ATOM 1232 N PHE A 81 2.293 11.646 1.973 1.00 0.00 N ATOM 1233 CA PHE A 81 3.133 10.971 3.007 1.00 0.00 C ATOM 1234 C PHE A 81 4.433 10.442 2.391 1.00 0.00 C ATOM 1235 O PHE A 81 5.440 10.321 3.061 1.00 0.00 O ATOM 1236 CB PHE A 81 2.279 9.811 3.520 1.00 0.00 C ATOM 1237 CG PHE A 81 1.130 10.349 4.337 1.00 0.00 C ATOM 1238 CD1 PHE A 81 1.364 10.873 5.616 1.00 0.00 C ATOM 1239 CD2 PHE A 81 -0.173 10.319 3.819 1.00 0.00 C ATOM 1240 CE1 PHE A 81 0.296 11.368 6.377 1.00 0.00 C ATOM 1241 CE2 PHE A 81 -1.242 10.816 4.580 1.00 0.00 C ATOM 1242 CZ PHE A 81 -1.007 11.340 5.859 1.00 0.00 C ATOM 0 H PHE A 81 1.389 11.209 1.794 1.00 0.00 H new ATOM 0 HA PHE A 81 3.420 11.656 3.805 1.00 0.00 H new ATOM 0 HB2 PHE A 81 1.900 9.227 2.681 1.00 0.00 H new ATOM 0 HB3 PHE A 81 2.887 9.140 4.127 1.00 0.00 H new ATOM 0 HD1 PHE A 81 2.367 10.895 6.015 1.00 0.00 H new ATOM 0 HD2 PHE A 81 -0.354 9.913 2.834 1.00 0.00 H new ATOM 0 HE1 PHE A 81 0.477 11.771 7.363 1.00 0.00 H new ATOM 0 HE2 PHE A 81 -2.245 10.795 4.181 1.00 0.00 H new ATOM 0 HZ PHE A 81 -1.829 11.722 6.445 1.00 0.00 H new ATOM 1252 N GLY A 82 4.412 10.074 1.138 1.00 0.00 N ATOM 1253 CA GLY A 82 5.637 9.495 0.515 1.00 0.00 C ATOM 1254 C GLY A 82 5.237 8.547 -0.618 1.00 0.00 C ATOM 1255 O GLY A 82 4.349 8.835 -1.397 1.00 0.00 O ATOM 0 H GLY A 82 3.603 10.149 0.521 1.00 0.00 H new ATOM 0 HA2 GLY A 82 6.272 10.292 0.129 1.00 0.00 H new ATOM 0 HA3 GLY A 82 6.219 8.958 1.264 1.00 0.00 H new ATOM 1259 N TYR A 83 5.854 7.399 -0.686 1.00 0.00 N ATOM 1260 CA TYR A 83 5.478 6.407 -1.736 1.00 0.00 C ATOM 1261 C TYR A 83 4.445 5.422 -1.179 1.00 0.00 C ATOM 1262 O TYR A 83 4.605 4.885 -0.101 1.00 0.00 O ATOM 1263 CB TYR A 83 6.782 5.687 -2.085 1.00 0.00 C ATOM 1264 CG TYR A 83 7.581 6.527 -3.055 1.00 0.00 C ATOM 1265 CD1 TYR A 83 8.485 7.488 -2.579 1.00 0.00 C ATOM 1266 CD2 TYR A 83 7.416 6.346 -4.435 1.00 0.00 C ATOM 1267 CE1 TYR A 83 9.225 8.265 -3.484 1.00 0.00 C ATOM 1268 CE2 TYR A 83 8.155 7.121 -5.339 1.00 0.00 C ATOM 1269 CZ TYR A 83 9.060 8.082 -4.864 1.00 0.00 C ATOM 1270 OH TYR A 83 9.786 8.845 -5.754 1.00 0.00 O ATOM 0 H TYR A 83 6.603 7.104 -0.060 1.00 0.00 H new ATOM 0 HA TYR A 83 5.029 6.876 -2.612 1.00 0.00 H new ATOM 0 HB2 TYR A 83 7.363 5.506 -1.181 1.00 0.00 H new ATOM 0 HB3 TYR A 83 6.565 4.713 -2.524 1.00 0.00 H new ATOM 0 HD1 TYR A 83 8.612 7.630 -1.516 1.00 0.00 H new ATOM 0 HD2 TYR A 83 6.718 5.608 -4.802 1.00 0.00 H new ATOM 0 HE1 TYR A 83 9.922 9.004 -3.117 1.00 0.00 H new ATOM 0 HE2 TYR A 83 8.028 6.978 -6.402 1.00 0.00 H new ATOM 0 HH TYR A 83 9.974 9.721 -5.356 1.00 0.00 H new ATOM 1280 N HIS A 84 3.378 5.201 -1.898 1.00 0.00 N ATOM 1281 CA HIS A 84 2.314 4.269 -1.403 1.00 0.00 C ATOM 1282 C HIS A 84 2.252 3.003 -2.260 1.00 0.00 C ATOM 1283 O HIS A 84 1.720 3.014 -3.353 1.00 0.00 O ATOM 1284 CB HIS A 84 0.988 5.038 -1.510 1.00 0.00 C ATOM 1285 CG HIS A 84 0.545 5.463 -0.141 1.00 0.00 C ATOM 1286 ND1 HIS A 84 -0.718 5.980 0.100 1.00 0.00 N ATOM 1287 CD2 HIS A 84 1.184 5.449 1.071 1.00 0.00 C ATOM 1288 CE1 HIS A 84 -0.798 6.253 1.414 1.00 0.00 C ATOM 1289 NE2 HIS A 84 0.335 5.949 2.054 1.00 0.00 N ATOM 0 H HIS A 84 3.193 5.624 -2.808 1.00 0.00 H new ATOM 0 HA HIS A 84 2.520 3.955 -0.380 1.00 0.00 H new ATOM 0 HB2 HIS A 84 1.112 5.911 -2.151 1.00 0.00 H new ATOM 0 HB3 HIS A 84 0.227 4.409 -1.971 1.00 0.00 H new ATOM 0 HD2 HIS A 84 2.193 5.103 1.238 1.00 0.00 H new ATOM 0 HE1 HIS A 84 -1.672 6.668 1.894 1.00 0.00 H new ATOM 0 HE2 HIS A 84 0.535 6.060 3.048 1.00 0.00 H new ATOM 1297 N ILE A 85 2.596 1.879 -1.694 1.00 0.00 N ATOM 1298 CA ILE A 85 2.332 0.590 -2.399 1.00 0.00 C ATOM 1299 C ILE A 85 1.221 -0.167 -1.662 1.00 0.00 C ATOM 1300 O ILE A 85 1.146 -0.125 -0.451 1.00 0.00 O ATOM 1301 CB ILE A 85 3.662 -0.172 -2.357 1.00 0.00 C ATOM 1302 CG1 ILE A 85 3.667 -1.246 -3.445 1.00 0.00 C ATOM 1303 CG2 ILE A 85 3.845 -0.833 -0.989 1.00 0.00 C ATOM 1304 CD1 ILE A 85 5.097 -1.452 -3.945 1.00 0.00 C ATOM 0 H ILE A 85 3.045 1.796 -0.782 1.00 0.00 H new ATOM 0 HA ILE A 85 1.997 0.723 -3.428 1.00 0.00 H new ATOM 0 HB ILE A 85 4.480 0.528 -2.527 1.00 0.00 H new ATOM 0 HG12 ILE A 85 3.269 -2.181 -3.051 1.00 0.00 H new ATOM 0 HG13 ILE A 85 3.020 -0.947 -4.270 1.00 0.00 H new ATOM 0 HG21 ILE A 85 4.792 -1.372 -0.969 1.00 0.00 H new ATOM 0 HG22 ILE A 85 3.846 -0.068 -0.213 1.00 0.00 H new ATOM 0 HG23 ILE A 85 3.027 -1.531 -0.810 1.00 0.00 H new ATOM 0 HD11 ILE A 85 5.104 -2.217 -4.721 1.00 0.00 H new ATOM 0 HD12 ILE A 85 5.478 -0.516 -4.354 1.00 0.00 H new ATOM 0 HD13 ILE A 85 5.730 -1.769 -3.116 1.00 0.00 H new ATOM 1316 N ILE A 86 0.243 -0.663 -2.372 1.00 0.00 N ATOM 1317 CA ILE A 86 -0.971 -1.176 -1.670 1.00 0.00 C ATOM 1318 C ILE A 86 -1.439 -2.519 -2.244 1.00 0.00 C ATOM 1319 O ILE A 86 -1.585 -2.676 -3.441 1.00 0.00 O ATOM 1320 CB ILE A 86 -2.039 -0.109 -1.904 1.00 0.00 C ATOM 1321 CG1 ILE A 86 -1.572 1.222 -1.313 1.00 0.00 C ATOM 1322 CG2 ILE A 86 -3.345 -0.538 -1.232 1.00 0.00 C ATOM 1323 CD1 ILE A 86 -2.545 2.329 -1.726 1.00 0.00 C ATOM 0 H ILE A 86 0.230 -0.735 -3.389 1.00 0.00 H new ATOM 0 HA ILE A 86 -0.768 -1.352 -0.614 1.00 0.00 H new ATOM 0 HB ILE A 86 -2.204 0.010 -2.975 1.00 0.00 H new ATOM 0 HG12 ILE A 86 -1.522 1.153 -0.226 1.00 0.00 H new ATOM 0 HG13 ILE A 86 -0.567 1.456 -1.664 1.00 0.00 H new ATOM 0 HG21 ILE A 86 -4.107 0.223 -1.399 1.00 0.00 H new ATOM 0 HG22 ILE A 86 -3.679 -1.485 -1.657 1.00 0.00 H new ATOM 0 HG23 ILE A 86 -3.181 -0.658 -0.161 1.00 0.00 H new ATOM 0 HD11 ILE A 86 -2.215 3.279 -1.306 1.00 0.00 H new ATOM 0 HD12 ILE A 86 -2.572 2.403 -2.813 1.00 0.00 H new ATOM 0 HD13 ILE A 86 -3.542 2.095 -1.353 1.00 0.00 H new ATOM 1335 N LYS A 87 -1.858 -3.412 -1.383 1.00 0.00 N ATOM 1336 CA LYS A 87 -2.535 -4.656 -1.858 1.00 0.00 C ATOM 1337 C LYS A 87 -4.052 -4.448 -1.891 1.00 0.00 C ATOM 1338 O LYS A 87 -4.616 -3.833 -1.007 1.00 0.00 O ATOM 1339 CB LYS A 87 -2.186 -5.732 -0.829 1.00 0.00 C ATOM 1340 CG LYS A 87 -0.726 -6.148 -0.986 1.00 0.00 C ATOM 1341 CD LYS A 87 -0.463 -7.388 -0.128 1.00 0.00 C ATOM 1342 CE LYS A 87 0.696 -8.188 -0.727 1.00 0.00 C ATOM 1343 NZ LYS A 87 0.068 -9.439 -1.243 1.00 0.00 N ATOM 0 H LYS A 87 -1.760 -3.333 -0.371 1.00 0.00 H new ATOM 0 HA LYS A 87 -2.215 -4.931 -2.863 1.00 0.00 H new ATOM 0 HB2 LYS A 87 -2.359 -5.354 0.178 1.00 0.00 H new ATOM 0 HB3 LYS A 87 -2.836 -6.597 -0.960 1.00 0.00 H new ATOM 0 HG2 LYS A 87 -0.506 -6.361 -2.032 1.00 0.00 H new ATOM 0 HG3 LYS A 87 -0.068 -5.334 -0.682 1.00 0.00 H new ATOM 0 HD2 LYS A 87 -0.225 -7.092 0.894 1.00 0.00 H new ATOM 0 HD3 LYS A 87 -1.359 -8.007 -0.080 1.00 0.00 H new ATOM 0 HE2 LYS A 87 1.188 -7.634 -1.526 1.00 0.00 H new ATOM 0 HE3 LYS A 87 1.455 -8.407 0.024 1.00 0.00 H new ATOM 0 HZ1 LYS A 87 0.798 -10.043 -1.671 1.00 0.00 H new ATOM 0 HZ2 LYS A 87 -0.387 -9.948 -0.459 1.00 0.00 H new ATOM 0 HZ3 LYS A 87 -0.646 -9.199 -1.960 1.00 0.00 H new ATOM 1357 N VAL A 88 -4.712 -4.995 -2.878 1.00 0.00 N ATOM 1358 CA VAL A 88 -6.201 -4.873 -2.957 1.00 0.00 C ATOM 1359 C VAL A 88 -6.854 -6.232 -2.675 1.00 0.00 C ATOM 1360 O VAL A 88 -6.410 -7.255 -3.158 1.00 0.00 O ATOM 1361 CB VAL A 88 -6.477 -4.434 -4.397 1.00 0.00 C ATOM 1362 CG1 VAL A 88 -7.983 -4.267 -4.602 1.00 0.00 C ATOM 1363 CG2 VAL A 88 -5.773 -3.103 -4.674 1.00 0.00 C ATOM 0 H VAL A 88 -4.283 -5.524 -3.637 1.00 0.00 H new ATOM 0 HA VAL A 88 -6.604 -4.169 -2.229 1.00 0.00 H new ATOM 0 HB VAL A 88 -6.099 -5.192 -5.083 1.00 0.00 H new ATOM 0 HG11 VAL A 88 -8.178 -3.954 -5.628 1.00 0.00 H new ATOM 0 HG12 VAL A 88 -8.484 -5.216 -4.410 1.00 0.00 H new ATOM 0 HG13 VAL A 88 -8.362 -3.511 -3.914 1.00 0.00 H new ATOM 0 HG21 VAL A 88 -5.971 -2.793 -5.700 1.00 0.00 H new ATOM 0 HG22 VAL A 88 -6.147 -2.344 -3.987 1.00 0.00 H new ATOM 0 HG23 VAL A 88 -4.699 -3.223 -4.533 1.00 0.00 H new ATOM 1373 N LEU A 89 -7.865 -6.262 -1.845 1.00 0.00 N ATOM 1374 CA LEU A 89 -8.488 -7.556 -1.476 1.00 0.00 C ATOM 1375 C LEU A 89 -10.017 -7.390 -1.361 1.00 0.00 C ATOM 1376 O LEU A 89 -10.496 -6.575 -0.599 1.00 0.00 O ATOM 1377 CB LEU A 89 -7.894 -7.901 -0.110 1.00 0.00 C ATOM 1378 CG LEU A 89 -6.371 -8.018 -0.222 1.00 0.00 C ATOM 1379 CD1 LEU A 89 -5.770 -8.176 1.176 1.00 0.00 C ATOM 1380 CD2 LEU A 89 -6.005 -9.238 -1.071 1.00 0.00 C ATOM 0 H LEU A 89 -8.283 -5.440 -1.409 1.00 0.00 H new ATOM 0 HA LEU A 89 -8.300 -8.333 -2.217 1.00 0.00 H new ATOM 0 HB2 LEU A 89 -8.157 -7.131 0.616 1.00 0.00 H new ATOM 0 HB3 LEU A 89 -8.314 -8.839 0.253 1.00 0.00 H new ATOM 0 HG LEU A 89 -5.975 -7.119 -0.694 1.00 0.00 H new ATOM 0 HD11 LEU A 89 -4.686 -8.259 1.099 1.00 0.00 H new ATOM 0 HD12 LEU A 89 -6.025 -7.306 1.782 1.00 0.00 H new ATOM 0 HD13 LEU A 89 -6.171 -9.075 1.645 1.00 0.00 H new ATOM 0 HD21 LEU A 89 -4.920 -9.316 -1.147 1.00 0.00 H new ATOM 0 HD22 LEU A 89 -6.402 -10.139 -0.603 1.00 0.00 H new ATOM 0 HD23 LEU A 89 -6.432 -9.129 -2.068 1.00 0.00 H new ATOM 1392 N TYR A 90 -10.773 -8.236 -2.012 1.00 0.00 N ATOM 1393 CA TYR A 90 -12.262 -8.241 -1.836 1.00 0.00 C ATOM 1394 C TYR A 90 -12.895 -6.943 -2.350 1.00 0.00 C ATOM 1395 O TYR A 90 -13.812 -6.967 -3.147 1.00 0.00 O ATOM 1396 CB TYR A 90 -12.497 -8.405 -0.331 1.00 0.00 C ATOM 1397 CG TYR A 90 -11.727 -9.604 0.168 1.00 0.00 C ATOM 1398 CD1 TYR A 90 -12.034 -10.885 -0.316 1.00 0.00 C ATOM 1399 CD2 TYR A 90 -10.705 -9.441 1.114 1.00 0.00 C ATOM 1400 CE1 TYR A 90 -11.319 -11.999 0.145 1.00 0.00 C ATOM 1401 CE2 TYR A 90 -9.991 -10.555 1.576 1.00 0.00 C ATOM 1402 CZ TYR A 90 -10.298 -11.834 1.092 1.00 0.00 C ATOM 1403 OH TYR A 90 -9.594 -12.931 1.546 1.00 0.00 O ATOM 0 H TYR A 90 -10.420 -8.934 -2.667 1.00 0.00 H new ATOM 0 HA TYR A 90 -12.724 -9.045 -2.409 1.00 0.00 H new ATOM 0 HB2 TYR A 90 -12.177 -7.507 0.198 1.00 0.00 H new ATOM 0 HB3 TYR A 90 -13.561 -8.532 -0.129 1.00 0.00 H new ATOM 0 HD1 TYR A 90 -12.822 -11.013 -1.044 1.00 0.00 H new ATOM 0 HD2 TYR A 90 -10.468 -8.456 1.487 1.00 0.00 H new ATOM 0 HE1 TYR A 90 -11.554 -12.984 -0.229 1.00 0.00 H new ATOM 0 HE2 TYR A 90 -9.204 -10.428 2.305 1.00 0.00 H new ATOM 0 HH TYR A 90 -8.922 -12.641 2.198 1.00 0.00 H new ATOM 1413 N ARG A 91 -12.454 -5.816 -1.867 1.00 0.00 N ATOM 1414 CA ARG A 91 -13.077 -4.526 -2.294 1.00 0.00 C ATOM 1415 C ARG A 91 -14.588 -4.532 -2.024 1.00 0.00 C ATOM 1416 O ARG A 91 -15.364 -4.016 -2.803 1.00 0.00 O ATOM 1417 CB ARG A 91 -12.815 -4.422 -3.797 1.00 0.00 C ATOM 1418 CG ARG A 91 -11.325 -4.194 -4.046 1.00 0.00 C ATOM 1419 CD ARG A 91 -11.089 -4.008 -5.547 1.00 0.00 C ATOM 1420 NE ARG A 91 -11.573 -5.272 -6.170 1.00 0.00 N ATOM 1421 CZ ARG A 91 -11.685 -5.362 -7.469 1.00 0.00 C ATOM 1422 NH1 ARG A 91 -11.358 -4.353 -8.230 1.00 0.00 N ATOM 1423 NH2 ARG A 91 -12.123 -6.467 -8.008 1.00 0.00 N ATOM 0 H ARG A 91 -11.691 -5.729 -1.196 1.00 0.00 H new ATOM 0 HA ARG A 91 -12.659 -3.683 -1.744 1.00 0.00 H new ATOM 0 HB2 ARG A 91 -13.142 -5.334 -4.297 1.00 0.00 H new ATOM 0 HB3 ARG A 91 -13.394 -3.602 -4.221 1.00 0.00 H new ATOM 0 HG2 ARG A 91 -10.983 -3.315 -3.500 1.00 0.00 H new ATOM 0 HG3 ARG A 91 -10.748 -5.042 -3.677 1.00 0.00 H new ATOM 0 HD2 ARG A 91 -11.635 -3.145 -5.929 1.00 0.00 H new ATOM 0 HD3 ARG A 91 -10.034 -3.839 -5.763 1.00 0.00 H new ATOM 0 HE ARG A 91 -11.817 -6.069 -5.582 1.00 0.00 H new ATOM 0 HH11 ARG A 91 -11.013 -3.489 -7.811 1.00 0.00 H new ATOM 0 HH12 ARG A 91 -11.447 -4.428 -9.243 1.00 0.00 H new ATOM 0 HH21 ARG A 91 -12.377 -7.258 -7.416 1.00 0.00 H new ATOM 0 HH22 ARG A 91 -12.211 -6.540 -9.022 1.00 0.00 H new ATOM 1437 N ASN A 92 -15.010 -5.066 -0.910 1.00 0.00 N ATOM 1438 CA ASN A 92 -16.466 -5.045 -0.585 1.00 0.00 C ATOM 1439 C ASN A 92 -16.711 -5.666 0.793 1.00 0.00 C ATOM 1440 O ASN A 92 -15.954 -6.545 1.169 1.00 0.00 O ATOM 1441 CB ASN A 92 -17.131 -5.883 -1.678 1.00 0.00 C ATOM 1442 CG ASN A 92 -18.651 -5.860 -1.494 1.00 0.00 C ATOM 1443 OD1 ASN A 92 -19.322 -6.834 -1.770 1.00 0.00 O ATOM 1444 ND2 ASN A 92 -19.228 -4.781 -1.039 1.00 0.00 N ATOM 1445 OXT ASN A 92 -17.653 -5.251 1.448 1.00 0.00 O ATOM 0 H ASN A 92 -14.414 -5.514 -0.214 1.00 0.00 H new ATOM 0 HA ASN A 92 -16.865 -4.031 -0.551 1.00 0.00 H new ATOM 0 HB2 ASN A 92 -16.868 -5.491 -2.661 1.00 0.00 H new ATOM 0 HB3 ASN A 92 -16.766 -6.909 -1.636 1.00 0.00 H new ATOM 0 HD21 ASN A 92 -20.240 -4.757 -0.916 1.00 0.00 H new ATOM 0 HD22 ASN A 92 -18.667 -3.962 -0.807 1.00 0.00 H new TER 1452 ASN A 92