USER MOD reduce.3.24.130724 H: found=0, std=0, add=944, rem=0, adj=29 USER MOD reduce.3.24.130724 removed 943 hydrogens (0 hets) USER MOD ----------------------------------------------------------------- USER MOD scores for adjustable sidechains, with "set" totals for H,N and Q USER MOD "o" means original, "f" means flipped, "180deg" is methyl default USER MOD "!" flags a clash with an overlap of 0.40A or greater USER MOD flip categories: "K"=keep, "C"=clashes, "X"=uncertain, "F"=flip USER MOD NoAdj-H: A 9 HIS HD1 : A 9 HIS ND1 : A 338 ZNZN :(H bumps) USER MOD NoAdj-H: A 73 HIS HD1 : A 73 HIS ND1 : A 336 ZNZN :(H bumps) USER MOD NoAdj-H: A 77 HIS HE2 : A 77 HIS NE2 : A 337 ZNZN :(H bumps) USER MOD NoAdj-H: A 86 HIS HD1 : A 86 HIS ND1 : A 337 ZNZN :(H bumps) USER MOD Set 1.1: A 109 CYS SG : rot 180:sc= -1.62 USER MOD Set 1.2: A 112 ASN : amide:sc= -0.153 K(o=-1.8,f=-5!) USER MOD Set 2.1: A 53 SER OG : rot 180:sc= 0.0713 USER MOD Set 2.2: A 68 ASN : amide:sc= -0.264 K(o=-0.19,f=-2.9!) USER MOD Set 3.1: A 32 GLN : amide:sc= -1.43! C(o=-2.1!,f=-3.5!) USER MOD Set 3.2: A 63 GLN : amide:sc= -0.661 K(o=-2.1,f=-12!) USER MOD Single : A 12 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 16 GLN : amide:sc= -0.682 X(o=-0.68,f=-0.62) USER MOD Single : A 18 ASN : amide:sc= 0.0785 K(o=0.078,f=-0.51) USER MOD Single : A 20 LYS NZ :NH3+ -178:sc= 0 (180deg=-0.00922) USER MOD Single : A 21 LYS NZ :NH3+ 170:sc= -0.019 (180deg=-0.143) USER MOD Single : A 25 ASN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 29 ASN :FLIP amide:sc= -0.0884 F(o=-1,f=-0.088) USER MOD Single : A 35 LYS NZ :NH3+ 180:sc= 1.25 (180deg=1.25) USER MOD Single : A 36 THR OG1 : rot -74:sc= 1.22 USER MOD Single : A 38 ASN : amide:sc= -2.01! C(o=-2!,f=-3.3!) USER MOD Single : A 39 LYS NZ :NH3+ 163:sc= 0.64 (180deg=0.442) USER MOD Single : A 41 LYS NZ :NH3+ -163:sc= -0.0717 (180deg=-0.383) USER MOD Single : A 43 LYS NZ :NH3+ -168:sc= 0.762 (180deg=0.497) USER MOD Single : A 48 THR OG1 : rot 180:sc= 0 USER MOD Single : A 51 LYS NZ :NH3+ 169:sc= 1.2 (180deg=1.14) USER MOD Single : A 59 LYS NZ :NH3+ -174:sc= 1.12 (180deg=0.933) USER MOD Single : A 62 HIS : no HE2:sc= -2.84! C(o=-2.8!,f=-3.8!) USER MOD Single : A 69 SER OG : rot -70:sc= 1.65 USER MOD Single : A 70 GLN : amide:sc=-0.00796 K(o=-0.008,f=-0.91) USER MOD Single : A 72 GLN :FLIP amide:sc= -1.38 F(o=-3.5!,f=-1.4) USER MOD Single : A 76 LYS NZ :NH3+ 159:sc= 1.22 (180deg=1.15) USER MOD Single : A 78 TYR OH : rot 180:sc= 0 USER MOD Single : A 80 THR OG1 : rot 36:sc= 1.23 USER MOD Single : A 83 SER OG : rot 180:sc= 0 USER MOD Single : A 87 CYS SG : rot -170:sc= -0.874 USER MOD Single : A 91 SER OG : rot 6:sc= 1.06 USER MOD Single : A 94 ASN : amide:sc= 0 X(o=0,f=-0.3) USER MOD Single : A 96 SER OG : rot 180:sc= 0 USER MOD Single : A 100 TYR OH : rot 30:sc= -0.305 USER MOD Single : A 104 ASN : amide:sc= -6.96! C(o=-7!,f=-6.5!) USER MOD Single : A 107 GLN : amide:sc= -0.204 X(o=-0.2,f=-0.2) USER MOD Single : A 108 TYR OH : rot 93:sc= 0.0258 USER MOD Single : A 110 SER OG : rot 180:sc= 0 USER MOD Single : A 111 SER OG : rot 180:sc= 0 USER MOD Single : A 113 GLN :FLIP amide:sc= -2.84! C(o=-4.5!,f=-2.8!) USER MOD Single : A 116 GLN : amide:sc= 0.0904 K(o=0.09,f=-1.1) USER MOD Single : A 120 TYR OH : rot 0:sc= -3.19! USER MOD Single : A 123 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 124 GLN : amide:sc= 0.181 K(o=0.18,f=-0.79) USER MOD Single : A 126 SER OG : rot 180:sc= 0 USER MOD ----------------------------------------------------------------- ATOM 1 N PRO A 5 9.573 -21.952 -6.858 1.00 0.00 N ATOM 2 CA PRO A 5 9.455 -20.806 -6.004 1.00 0.00 C ATOM 3 C PRO A 5 8.247 -19.991 -6.404 1.00 0.00 C ATOM 4 O PRO A 5 7.947 -19.816 -7.602 1.00 0.00 O ATOM 5 CB PRO A 5 10.713 -20.014 -6.239 1.00 0.00 C ATOM 6 CG PRO A 5 11.177 -20.442 -7.594 1.00 0.00 C ATOM 7 CD PRO A 5 10.711 -21.848 -7.772 1.00 0.00 C ATOM 0 HA PRO A 5 9.333 -21.081 -4.956 1.00 0.00 H new ATOM 0 HB2 PRO A 5 10.519 -18.942 -6.206 1.00 0.00 H new ATOM 0 HB3 PRO A 5 11.463 -20.226 -5.477 1.00 0.00 H new ATOM 0 HG2 PRO A 5 10.765 -19.795 -8.368 1.00 0.00 H new ATOM 0 HG3 PRO A 5 12.262 -20.380 -7.671 1.00 0.00 H new ATOM 0 HD2 PRO A 5 10.417 -22.045 -8.803 1.00 0.00 H new ATOM 0 HD3 PRO A 5 11.493 -22.564 -7.521 1.00 0.00 H new ATOM 15 N VAL A 6 7.589 -19.506 -5.428 1.00 0.00 N ATOM 16 CA VAL A 6 6.350 -18.808 -5.566 1.00 0.00 C ATOM 17 C VAL A 6 5.899 -18.395 -4.165 1.00 0.00 C ATOM 18 O VAL A 6 6.377 -18.969 -3.165 1.00 0.00 O ATOM 19 CB VAL A 6 5.275 -19.756 -6.206 1.00 0.00 C ATOM 20 CG1 VAL A 6 4.906 -20.919 -5.288 1.00 0.00 C ATOM 21 CG2 VAL A 6 4.058 -18.996 -6.640 1.00 0.00 C ATOM 0 H VAL A 6 7.903 -19.581 -4.460 1.00 0.00 H new ATOM 0 HA VAL A 6 6.470 -17.936 -6.208 1.00 0.00 H new ATOM 0 HB VAL A 6 5.731 -20.188 -7.096 1.00 0.00 H new ATOM 0 HG11 VAL A 6 4.159 -21.545 -5.776 1.00 0.00 H new ATOM 0 HG12 VAL A 6 5.796 -21.513 -5.077 1.00 0.00 H new ATOM 0 HG13 VAL A 6 4.499 -20.531 -4.354 1.00 0.00 H new ATOM 0 HG21 VAL A 6 3.336 -19.685 -7.078 1.00 0.00 H new ATOM 0 HG22 VAL A 6 3.611 -18.502 -5.777 1.00 0.00 H new ATOM 0 HG23 VAL A 6 4.341 -18.248 -7.380 1.00 0.00 H new ATOM 31 N CYS A 7 5.003 -17.444 -4.062 1.00 0.00 N ATOM 32 CA CYS A 7 4.499 -17.088 -2.800 1.00 0.00 C ATOM 33 C CYS A 7 3.246 -17.896 -2.574 1.00 0.00 C ATOM 34 O CYS A 7 2.423 -18.042 -3.459 1.00 0.00 O ATOM 35 CB CYS A 7 4.247 -15.579 -2.658 1.00 0.00 C ATOM 36 SG CYS A 7 3.493 -15.064 -1.080 1.00 0.00 S ATOM 0 H CYS A 7 4.622 -16.916 -4.847 1.00 0.00 H new ATOM 0 HA CYS A 7 5.241 -17.313 -2.034 1.00 0.00 H new ATOM 0 HB2 CYS A 7 5.196 -15.056 -2.777 1.00 0.00 H new ATOM 0 HB3 CYS A 7 3.600 -15.256 -3.474 1.00 0.00 H new ATOM 41 N ARG A 8 3.143 -18.455 -1.419 1.00 0.00 N ATOM 42 CA ARG A 8 2.017 -19.272 -1.051 1.00 0.00 C ATOM 43 C ARG A 8 1.270 -18.629 0.092 1.00 0.00 C ATOM 44 O ARG A 8 0.297 -19.156 0.617 1.00 0.00 O ATOM 45 CB ARG A 8 2.438 -20.711 -0.706 1.00 0.00 C ATOM 46 CG ARG A 8 3.633 -20.836 0.209 1.00 0.00 C ATOM 47 CD ARG A 8 4.957 -20.730 -0.549 1.00 0.00 C ATOM 48 NE ARG A 8 6.100 -20.890 0.354 1.00 0.00 N ATOM 49 CZ ARG A 8 7.393 -20.791 0.015 1.00 0.00 C ATOM 50 NH1 ARG A 8 7.750 -20.326 -1.173 1.00 0.00 N ATOM 51 NH2 ARG A 8 8.331 -21.121 0.893 1.00 0.00 N ATOM 0 H ARG A 8 3.845 -18.362 -0.685 1.00 0.00 H new ATOM 0 HA ARG A 8 1.352 -19.341 -1.912 1.00 0.00 H new ATOM 0 HB2 ARG A 8 1.592 -21.217 -0.241 1.00 0.00 H new ATOM 0 HB3 ARG A 8 2.656 -21.240 -1.634 1.00 0.00 H new ATOM 0 HG2 ARG A 8 3.589 -20.056 0.970 1.00 0.00 H new ATOM 0 HG3 ARG A 8 3.591 -21.792 0.730 1.00 0.00 H new ATOM 0 HD2 ARG A 8 4.996 -21.493 -1.327 1.00 0.00 H new ATOM 0 HD3 ARG A 8 5.017 -19.763 -1.048 1.00 0.00 H new ATOM 0 HE ARG A 8 5.892 -21.096 1.331 1.00 0.00 H new ATOM 0 HH11 ARG A 8 7.037 -20.038 -1.843 1.00 0.00 H new ATOM 0 HH12 ARG A 8 8.738 -20.256 -1.418 1.00 0.00 H new ATOM 0 HH21 ARG A 8 8.067 -21.449 1.822 1.00 0.00 H new ATOM 0 HH22 ARG A 8 9.316 -21.047 0.639 1.00 0.00 H new ATOM 65 N HIS A 9 1.689 -17.408 0.403 1.00 0.00 N ATOM 66 CA HIS A 9 1.078 -16.589 1.455 1.00 0.00 C ATOM 67 C HIS A 9 -0.093 -15.856 0.871 1.00 0.00 C ATOM 68 O HIS A 9 -0.622 -14.960 1.464 1.00 0.00 O ATOM 69 CB HIS A 9 2.073 -15.551 2.007 1.00 0.00 C ATOM 70 CG HIS A 9 3.274 -16.126 2.688 1.00 0.00 C ATOM 71 ND1 HIS A 9 4.536 -15.827 2.268 1.00 0.00 N ATOM 72 CD2 HIS A 9 3.345 -16.925 3.775 1.00 0.00 C ATOM 73 CE1 HIS A 9 5.355 -16.440 3.107 1.00 0.00 C ATOM 74 NE2 HIS A 9 4.671 -17.119 4.036 1.00 0.00 N ATOM 0 H HIS A 9 2.469 -16.950 -0.069 1.00 0.00 H new ATOM 0 HA HIS A 9 0.771 -17.246 2.269 1.00 0.00 H new ATOM 0 HB2 HIS A 9 2.408 -14.918 1.185 1.00 0.00 H new ATOM 0 HB3 HIS A 9 1.548 -14.906 2.712 1.00 0.00 H new ATOM 0 HD2 HIS A 9 2.513 -17.332 4.331 1.00 0.00 H new ATOM 0 HE1 HIS A 9 6.433 -16.398 3.050 1.00 0.00 H new ATOM 0 HE2 HIS A 9 5.065 -17.675 4.794 1.00 0.00 H new ATOM 82 N ILE A 10 -0.469 -16.276 -0.312 1.00 0.00 N ATOM 83 CA ILE A 10 -1.615 -15.767 -1.043 1.00 0.00 C ATOM 84 C ILE A 10 -2.850 -16.074 -0.213 1.00 0.00 C ATOM 85 O ILE A 10 -3.735 -15.257 -0.073 1.00 0.00 O ATOM 86 CB ILE A 10 -1.734 -16.487 -2.418 1.00 0.00 C ATOM 87 CG1 ILE A 10 -0.362 -16.567 -3.134 1.00 0.00 C ATOM 88 CG2 ILE A 10 -2.776 -15.826 -3.312 1.00 0.00 C ATOM 89 CD1 ILE A 10 0.371 -15.256 -3.292 1.00 0.00 C ATOM 0 H ILE A 10 0.030 -17.009 -0.815 1.00 0.00 H new ATOM 0 HA ILE A 10 -1.510 -14.696 -1.219 1.00 0.00 H new ATOM 0 HB ILE A 10 -2.069 -17.505 -2.219 1.00 0.00 H new ATOM 0 HG12 ILE A 10 0.277 -17.255 -2.580 1.00 0.00 H new ATOM 0 HG13 ILE A 10 -0.514 -16.999 -4.123 1.00 0.00 H new ATOM 0 HG21 ILE A 10 -2.830 -16.357 -4.262 1.00 0.00 H new ATOM 0 HG22 ILE A 10 -3.749 -15.859 -2.822 1.00 0.00 H new ATOM 0 HG23 ILE A 10 -2.496 -14.788 -3.492 1.00 0.00 H new ATOM 0 HD11 ILE A 10 1.317 -15.428 -3.805 1.00 0.00 H new ATOM 0 HD12 ILE A 10 -0.239 -14.566 -3.876 1.00 0.00 H new ATOM 0 HD13 ILE A 10 0.564 -14.826 -2.309 1.00 0.00 H new ATOM 101 N ARG A 11 -2.826 -17.222 0.401 1.00 0.00 N ATOM 102 CA ARG A 11 -3.879 -17.694 1.273 1.00 0.00 C ATOM 103 C ARG A 11 -4.172 -16.687 2.410 1.00 0.00 C ATOM 104 O ARG A 11 -5.332 -16.360 2.696 1.00 0.00 O ATOM 105 CB ARG A 11 -3.410 -19.020 1.860 1.00 0.00 C ATOM 106 CG ARG A 11 -3.240 -20.118 0.822 1.00 0.00 C ATOM 107 CD ARG A 11 -2.298 -21.214 1.303 1.00 0.00 C ATOM 108 NE ARG A 11 -2.683 -21.813 2.586 1.00 0.00 N ATOM 109 CZ ARG A 11 -1.891 -22.613 3.320 1.00 0.00 C ATOM 110 NH1 ARG A 11 -0.694 -22.982 2.853 1.00 0.00 N ATOM 111 NH2 ARG A 11 -2.305 -23.057 4.507 1.00 0.00 N ATOM 0 H ARG A 11 -2.052 -17.880 0.310 1.00 0.00 H new ATOM 0 HA ARG A 11 -4.804 -17.811 0.708 1.00 0.00 H new ATOM 0 HB2 ARG A 11 -2.460 -18.866 2.372 1.00 0.00 H new ATOM 0 HB3 ARG A 11 -4.128 -19.349 2.611 1.00 0.00 H new ATOM 0 HG2 ARG A 11 -4.213 -20.552 0.590 1.00 0.00 H new ATOM 0 HG3 ARG A 11 -2.854 -19.687 -0.102 1.00 0.00 H new ATOM 0 HD2 ARG A 11 -2.253 -21.998 0.547 1.00 0.00 H new ATOM 0 HD3 ARG A 11 -1.293 -20.801 1.394 1.00 0.00 H new ATOM 0 HE ARG A 11 -3.615 -21.608 2.945 1.00 0.00 H new ATOM 0 HH11 ARG A 11 -0.381 -22.656 1.939 1.00 0.00 H new ATOM 0 HH12 ARG A 11 -0.094 -23.589 3.411 1.00 0.00 H new ATOM 0 HH21 ARG A 11 -3.224 -22.790 4.859 1.00 0.00 H new ATOM 0 HH22 ARG A 11 -1.703 -23.664 5.063 1.00 0.00 H new ATOM 125 N LYS A 12 -3.111 -16.184 3.024 1.00 0.00 N ATOM 126 CA LYS A 12 -3.208 -15.292 4.157 1.00 0.00 C ATOM 127 C LYS A 12 -2.889 -13.834 3.802 1.00 0.00 C ATOM 128 O LYS A 12 -2.783 -12.974 4.684 1.00 0.00 O ATOM 129 CB LYS A 12 -2.248 -15.780 5.212 1.00 0.00 C ATOM 130 CG LYS A 12 -0.817 -15.907 4.756 1.00 0.00 C ATOM 131 CD LYS A 12 -0.019 -16.607 5.809 1.00 0.00 C ATOM 132 CE LYS A 12 0.110 -15.778 7.067 1.00 0.00 C ATOM 133 NZ LYS A 12 0.875 -16.469 8.119 1.00 0.00 N ATOM 0 H LYS A 12 -2.152 -16.389 2.743 1.00 0.00 H new ATOM 0 HA LYS A 12 -4.238 -15.303 4.513 1.00 0.00 H new ATOM 0 HB2 LYS A 12 -2.285 -15.097 6.060 1.00 0.00 H new ATOM 0 HB3 LYS A 12 -2.588 -16.752 5.571 1.00 0.00 H new ATOM 0 HG2 LYS A 12 -0.770 -16.463 3.820 1.00 0.00 H new ATOM 0 HG3 LYS A 12 -0.397 -14.920 4.562 1.00 0.00 H new ATOM 0 HD2 LYS A 12 -0.492 -17.559 6.049 1.00 0.00 H new ATOM 0 HD3 LYS A 12 0.974 -16.833 5.421 1.00 0.00 H new ATOM 0 HE2 LYS A 12 0.598 -14.833 6.828 1.00 0.00 H new ATOM 0 HE3 LYS A 12 -0.884 -15.537 7.443 1.00 0.00 H new ATOM 0 HZ1 LYS A 12 0.936 -15.861 8.960 1.00 0.00 H new ATOM 0 HZ2 LYS A 12 0.397 -17.358 8.368 1.00 0.00 H new ATOM 0 HZ3 LYS A 12 1.833 -16.677 7.772 1.00 0.00 H new ATOM 147 N GLY A 13 -2.761 -13.557 2.531 1.00 0.00 N ATOM 148 CA GLY A 13 -2.289 -12.267 2.092 1.00 0.00 C ATOM 149 C GLY A 13 -3.182 -11.667 1.094 1.00 0.00 C ATOM 150 O GLY A 13 -3.397 -10.466 1.097 1.00 0.00 O ATOM 0 H GLY A 13 -2.978 -14.209 1.777 1.00 0.00 H new ATOM 0 HA2 GLY A 13 -2.204 -11.600 2.950 1.00 0.00 H new ATOM 0 HA3 GLY A 13 -1.290 -12.371 1.669 1.00 0.00 H new ATOM 154 N LEU A 14 -3.697 -12.491 0.244 1.00 0.00 N ATOM 155 CA LEU A 14 -4.609 -12.061 -0.745 1.00 0.00 C ATOM 156 C LEU A 14 -5.951 -12.122 -0.123 1.00 0.00 C ATOM 157 O LEU A 14 -6.367 -13.168 0.404 1.00 0.00 O ATOM 158 CB LEU A 14 -4.582 -13.004 -1.947 1.00 0.00 C ATOM 159 CG LEU A 14 -5.223 -12.536 -3.263 1.00 0.00 C ATOM 160 CD1 LEU A 14 -6.668 -12.234 -3.144 1.00 0.00 C ATOM 161 CD2 LEU A 14 -4.546 -11.368 -3.812 1.00 0.00 C ATOM 0 H LEU A 14 -3.491 -13.490 0.222 1.00 0.00 H new ATOM 0 HA LEU A 14 -4.356 -11.059 -1.092 1.00 0.00 H new ATOM 0 HB2 LEU A 14 -3.540 -13.246 -2.154 1.00 0.00 H new ATOM 0 HB3 LEU A 14 -5.072 -13.931 -1.651 1.00 0.00 H new ATOM 0 HG LEU A 14 -5.109 -13.383 -3.940 1.00 0.00 H new ATOM 0 HD11 LEU A 14 -7.053 -11.910 -4.111 1.00 0.00 H new ATOM 0 HD12 LEU A 14 -7.201 -13.129 -2.823 1.00 0.00 H new ATOM 0 HD13 LEU A 14 -6.815 -11.441 -2.411 1.00 0.00 H new ATOM 0 HD21 LEU A 14 -5.031 -11.070 -4.742 1.00 0.00 H new ATOM 0 HD22 LEU A 14 -4.598 -10.547 -3.096 1.00 0.00 H new ATOM 0 HD23 LEU A 14 -3.502 -11.612 -4.009 1.00 0.00 H new ATOM 173 N GLU A 15 -6.589 -11.054 -0.123 1.00 0.00 N ATOM 174 CA GLU A 15 -7.904 -10.966 0.325 1.00 0.00 C ATOM 175 C GLU A 15 -8.660 -10.289 -0.785 1.00 0.00 C ATOM 176 O GLU A 15 -8.081 -9.552 -1.555 1.00 0.00 O ATOM 177 CB GLU A 15 -7.925 -10.142 1.600 1.00 0.00 C ATOM 178 CG GLU A 15 -8.913 -10.638 2.636 1.00 0.00 C ATOM 179 CD GLU A 15 -10.328 -10.662 2.149 1.00 0.00 C ATOM 180 OE1 GLU A 15 -10.751 -11.673 1.518 1.00 0.00 O ATOM 181 OE2 GLU A 15 -11.045 -9.699 2.368 1.00 0.00 O ATOM 0 H GLU A 15 -6.202 -10.168 -0.448 1.00 0.00 H new ATOM 0 HA GLU A 15 -8.350 -11.934 0.554 1.00 0.00 H new ATOM 0 HB2 GLU A 15 -6.926 -10.141 2.036 1.00 0.00 H new ATOM 0 HB3 GLU A 15 -8.165 -9.109 1.349 1.00 0.00 H new ATOM 0 HG2 GLU A 15 -8.627 -11.643 2.947 1.00 0.00 H new ATOM 0 HG3 GLU A 15 -8.852 -10.002 3.519 1.00 0.00 H new ATOM 188 N GLN A 16 -9.892 -10.632 -0.942 1.00 0.00 N ATOM 189 CA GLN A 16 -10.705 -10.027 -1.964 1.00 0.00 C ATOM 190 C GLN A 16 -11.854 -9.239 -1.342 1.00 0.00 C ATOM 191 O GLN A 16 -12.201 -8.158 -1.799 1.00 0.00 O ATOM 192 CB GLN A 16 -11.284 -11.060 -2.902 1.00 0.00 C ATOM 193 CG GLN A 16 -10.302 -12.104 -3.395 1.00 0.00 C ATOM 194 CD GLN A 16 -10.882 -12.993 -4.458 1.00 0.00 C ATOM 195 OE1 GLN A 16 -10.163 -13.472 -5.326 1.00 0.00 O ATOM 196 NE2 GLN A 16 -12.153 -13.238 -4.408 1.00 0.00 N ATOM 0 H GLN A 16 -10.370 -11.333 -0.376 1.00 0.00 H new ATOM 0 HA GLN A 16 -10.055 -9.359 -2.529 1.00 0.00 H new ATOM 0 HB2 GLN A 16 -12.106 -11.567 -2.396 1.00 0.00 H new ATOM 0 HB3 GLN A 16 -11.709 -10.547 -3.765 1.00 0.00 H new ATOM 0 HG2 GLN A 16 -9.416 -11.606 -3.788 1.00 0.00 H new ATOM 0 HG3 GLN A 16 -9.977 -12.716 -2.554 1.00 0.00 H new ATOM 0 HE21 GLN A 16 -12.724 -12.823 -3.672 1.00 0.00 H new ATOM 0 HE22 GLN A 16 -12.583 -13.846 -5.105 1.00 0.00 H new ATOM 205 N GLY A 17 -12.432 -9.817 -0.285 1.00 0.00 N ATOM 206 CA GLY A 17 -13.624 -9.282 0.363 1.00 0.00 C ATOM 207 C GLY A 17 -13.479 -7.854 0.815 1.00 0.00 C ATOM 208 O GLY A 17 -14.312 -7.009 0.470 1.00 0.00 O ATOM 0 H GLY A 17 -12.081 -10.673 0.144 1.00 0.00 H new ATOM 0 HA2 GLY A 17 -14.464 -9.351 -0.328 1.00 0.00 H new ATOM 0 HA3 GLY A 17 -13.868 -9.903 1.225 1.00 0.00 H new ATOM 212 N ASN A 18 -12.426 -7.575 1.572 1.00 0.00 N ATOM 213 CA ASN A 18 -12.161 -6.213 2.048 1.00 0.00 C ATOM 214 C ASN A 18 -11.923 -5.329 0.898 1.00 0.00 C ATOM 215 O ASN A 18 -12.440 -4.252 0.836 1.00 0.00 O ATOM 216 CB ASN A 18 -10.900 -6.095 2.897 1.00 0.00 C ATOM 217 CG ASN A 18 -10.933 -6.764 4.221 1.00 0.00 C ATOM 218 OD1 ASN A 18 -11.988 -6.962 4.831 1.00 0.00 O ATOM 219 ND2 ASN A 18 -9.779 -7.095 4.694 1.00 0.00 N ATOM 0 H ASN A 18 -11.740 -8.268 1.872 1.00 0.00 H new ATOM 0 HA ASN A 18 -13.034 -5.943 2.642 1.00 0.00 H new ATOM 0 HB2 ASN A 18 -10.065 -6.504 2.328 1.00 0.00 H new ATOM 0 HB3 ASN A 18 -10.691 -5.037 3.054 1.00 0.00 H new ATOM 0 HD21 ASN A 18 -9.712 -7.541 5.609 1.00 0.00 H new ATOM 0 HD22 ASN A 18 -8.934 -6.911 4.153 1.00 0.00 H new ATOM 226 N LEU A 19 -11.151 -5.843 -0.026 1.00 0.00 N ATOM 227 CA LEU A 19 -10.645 -5.134 -1.192 1.00 0.00 C ATOM 228 C LEU A 19 -11.710 -4.366 -1.900 1.00 0.00 C ATOM 229 O LEU A 19 -11.567 -3.179 -2.094 1.00 0.00 O ATOM 230 CB LEU A 19 -9.958 -6.102 -2.147 1.00 0.00 C ATOM 231 CG LEU A 19 -8.539 -6.571 -1.800 1.00 0.00 C ATOM 232 CD1 LEU A 19 -7.527 -5.604 -2.325 1.00 0.00 C ATOM 233 CD2 LEU A 19 -8.325 -6.739 -0.311 1.00 0.00 C ATOM 0 H LEU A 19 -10.839 -6.813 0.009 1.00 0.00 H new ATOM 0 HA LEU A 19 -9.915 -4.408 -0.833 1.00 0.00 H new ATOM 0 HB2 LEU A 19 -10.589 -6.986 -2.237 1.00 0.00 H new ATOM 0 HB3 LEU A 19 -9.924 -5.633 -3.130 1.00 0.00 H new ATOM 0 HG LEU A 19 -8.416 -7.546 -2.271 1.00 0.00 H new ATOM 0 HD11 LEU A 19 -6.526 -5.951 -2.070 1.00 0.00 H new ATOM 0 HD12 LEU A 19 -7.621 -5.531 -3.408 1.00 0.00 H new ATOM 0 HD13 LEU A 19 -7.695 -4.624 -1.879 1.00 0.00 H new ATOM 0 HD21 LEU A 19 -7.304 -7.072 -0.125 1.00 0.00 H new ATOM 0 HD22 LEU A 19 -8.492 -5.786 0.190 1.00 0.00 H new ATOM 0 HD23 LEU A 19 -9.024 -7.480 0.076 1.00 0.00 H new ATOM 245 N LYS A 20 -12.805 -5.006 -2.231 1.00 0.00 N ATOM 246 CA LYS A 20 -13.888 -4.303 -2.916 1.00 0.00 C ATOM 247 C LYS A 20 -14.413 -3.121 -2.081 1.00 0.00 C ATOM 248 O LYS A 20 -14.524 -1.992 -2.589 1.00 0.00 O ATOM 249 CB LYS A 20 -15.037 -5.248 -3.359 1.00 0.00 C ATOM 250 CG LYS A 20 -14.730 -6.154 -4.574 1.00 0.00 C ATOM 251 CD LYS A 20 -13.636 -7.179 -4.300 1.00 0.00 C ATOM 252 CE LYS A 20 -13.232 -7.961 -5.551 1.00 0.00 C ATOM 253 NZ LYS A 20 -14.347 -8.711 -6.157 1.00 0.00 N ATOM 0 H LYS A 20 -12.979 -5.994 -2.046 1.00 0.00 H new ATOM 0 HA LYS A 20 -13.459 -3.897 -3.832 1.00 0.00 H new ATOM 0 HB2 LYS A 20 -15.306 -5.883 -2.515 1.00 0.00 H new ATOM 0 HB3 LYS A 20 -15.912 -4.641 -3.593 1.00 0.00 H new ATOM 0 HG2 LYS A 20 -15.641 -6.675 -4.869 1.00 0.00 H new ATOM 0 HG3 LYS A 20 -14.432 -5.531 -5.417 1.00 0.00 H new ATOM 0 HD2 LYS A 20 -12.761 -6.671 -3.896 1.00 0.00 H new ATOM 0 HD3 LYS A 20 -13.980 -7.876 -3.536 1.00 0.00 H new ATOM 0 HE2 LYS A 20 -12.826 -7.268 -6.288 1.00 0.00 H new ATOM 0 HE3 LYS A 20 -12.433 -8.657 -5.294 1.00 0.00 H new ATOM 0 HZ1 LYS A 20 -14.000 -9.245 -6.979 1.00 0.00 H new ATOM 0 HZ2 LYS A 20 -14.742 -9.371 -5.457 1.00 0.00 H new ATOM 0 HZ3 LYS A 20 -15.087 -8.047 -6.463 1.00 0.00 H new ATOM 267 N LYS A 21 -14.550 -3.338 -0.790 1.00 0.00 N ATOM 268 CA LYS A 21 -15.152 -2.361 0.110 1.00 0.00 C ATOM 269 C LYS A 21 -14.135 -1.285 0.481 1.00 0.00 C ATOM 270 O LYS A 21 -14.483 -0.122 0.717 1.00 0.00 O ATOM 271 CB LYS A 21 -15.590 -3.081 1.365 1.00 0.00 C ATOM 272 CG LYS A 21 -16.468 -4.283 1.092 1.00 0.00 C ATOM 273 CD LYS A 21 -16.537 -5.194 2.291 1.00 0.00 C ATOM 274 CE LYS A 21 -17.237 -4.553 3.490 1.00 0.00 C ATOM 275 NZ LYS A 21 -18.647 -4.203 3.200 1.00 0.00 N ATOM 0 H LYS A 21 -14.249 -4.196 -0.329 1.00 0.00 H new ATOM 0 HA LYS A 21 -16.001 -1.886 -0.381 1.00 0.00 H new ATOM 0 HB2 LYS A 21 -14.707 -3.403 1.917 1.00 0.00 H new ATOM 0 HB3 LYS A 21 -16.130 -2.384 2.006 1.00 0.00 H new ATOM 0 HG2 LYS A 21 -17.472 -3.950 0.827 1.00 0.00 H new ATOM 0 HG3 LYS A 21 -16.078 -4.834 0.236 1.00 0.00 H new ATOM 0 HD2 LYS A 21 -17.064 -6.108 2.016 1.00 0.00 H new ATOM 0 HD3 LYS A 21 -15.526 -5.483 2.579 1.00 0.00 H new ATOM 0 HE2 LYS A 21 -17.202 -5.239 4.337 1.00 0.00 H new ATOM 0 HE3 LYS A 21 -16.696 -3.654 3.785 1.00 0.00 H new ATOM 0 HZ1 LYS A 21 -19.126 -3.931 4.082 1.00 0.00 H new ATOM 0 HZ2 LYS A 21 -18.677 -3.407 2.531 1.00 0.00 H new ATOM 0 HZ3 LYS A 21 -19.130 -5.024 2.783 1.00 0.00 H new ATOM 289 N ALA A 22 -12.885 -1.670 0.503 1.00 0.00 N ATOM 290 CA ALA A 22 -11.820 -0.808 0.902 1.00 0.00 C ATOM 291 C ALA A 22 -11.418 0.108 -0.249 1.00 0.00 C ATOM 292 O ALA A 22 -11.125 1.280 -0.044 1.00 0.00 O ATOM 293 CB ALA A 22 -10.645 -1.650 1.406 1.00 0.00 C ATOM 0 H ALA A 22 -12.581 -2.607 0.239 1.00 0.00 H new ATOM 0 HA ALA A 22 -12.150 -0.167 1.719 1.00 0.00 H new ATOM 0 HB1 ALA A 22 -9.831 -0.993 1.711 1.00 0.00 H new ATOM 0 HB2 ALA A 22 -10.966 -2.250 2.258 1.00 0.00 H new ATOM 0 HB3 ALA A 22 -10.300 -2.308 0.608 1.00 0.00 H new ATOM 299 N LEU A 23 -11.482 -0.411 -1.482 1.00 0.00 N ATOM 300 CA LEU A 23 -11.116 0.363 -2.651 1.00 0.00 C ATOM 301 C LEU A 23 -12.227 1.333 -3.016 1.00 0.00 C ATOM 302 O LEU A 23 -12.048 2.221 -3.836 1.00 0.00 O ATOM 303 CB LEU A 23 -10.736 -0.511 -3.844 1.00 0.00 C ATOM 304 CG LEU A 23 -9.705 -1.614 -3.562 1.00 0.00 C ATOM 305 CD1 LEU A 23 -9.250 -2.306 -4.807 1.00 0.00 C ATOM 306 CD2 LEU A 23 -8.537 -1.154 -2.712 1.00 0.00 C ATOM 0 H LEU A 23 -11.785 -1.364 -1.685 1.00 0.00 H new ATOM 0 HA LEU A 23 -10.223 0.932 -2.390 1.00 0.00 H new ATOM 0 HB2 LEU A 23 -11.642 -0.977 -4.232 1.00 0.00 H new ATOM 0 HB3 LEU A 23 -10.345 0.133 -4.632 1.00 0.00 H new ATOM 0 HG LEU A 23 -10.237 -2.351 -2.961 1.00 0.00 H new ATOM 0 HD11 LEU A 23 -8.522 -3.076 -4.550 1.00 0.00 H new ATOM 0 HD12 LEU A 23 -10.106 -2.766 -5.301 1.00 0.00 H new ATOM 0 HD13 LEU A 23 -8.790 -1.581 -5.479 1.00 0.00 H new ATOM 0 HD21 LEU A 23 -7.851 -1.986 -2.555 1.00 0.00 H new ATOM 0 HD22 LEU A 23 -8.014 -0.344 -3.220 1.00 0.00 H new ATOM 0 HD23 LEU A 23 -8.905 -0.800 -1.749 1.00 0.00 H new ATOM 318 N VAL A 24 -13.373 1.153 -2.403 1.00 0.00 N ATOM 319 CA VAL A 24 -14.480 2.108 -2.565 1.00 0.00 C ATOM 320 C VAL A 24 -14.080 3.525 -2.081 1.00 0.00 C ATOM 321 O VAL A 24 -14.248 4.510 -2.801 1.00 0.00 O ATOM 322 CB VAL A 24 -15.766 1.670 -1.801 1.00 0.00 C ATOM 323 CG1 VAL A 24 -16.814 2.756 -1.871 1.00 0.00 C ATOM 324 CG2 VAL A 24 -16.334 0.397 -2.374 1.00 0.00 C ATOM 0 H VAL A 24 -13.577 0.365 -1.789 1.00 0.00 H new ATOM 0 HA VAL A 24 -14.697 2.127 -3.633 1.00 0.00 H new ATOM 0 HB VAL A 24 -15.488 1.494 -0.762 1.00 0.00 H new ATOM 0 HG11 VAL A 24 -17.706 2.436 -1.333 1.00 0.00 H new ATOM 0 HG12 VAL A 24 -16.424 3.667 -1.417 1.00 0.00 H new ATOM 0 HG13 VAL A 24 -17.068 2.949 -2.913 1.00 0.00 H new ATOM 0 HG21 VAL A 24 -17.230 0.117 -1.820 1.00 0.00 H new ATOM 0 HG22 VAL A 24 -16.589 0.552 -3.422 1.00 0.00 H new ATOM 0 HG23 VAL A 24 -15.594 -0.400 -2.294 1.00 0.00 H new ATOM 334 N ASN A 25 -13.518 3.604 -0.887 1.00 0.00 N ATOM 335 CA ASN A 25 -13.188 4.905 -0.265 1.00 0.00 C ATOM 336 C ASN A 25 -11.710 5.181 -0.333 1.00 0.00 C ATOM 337 O ASN A 25 -11.194 6.119 0.293 1.00 0.00 O ATOM 338 CB ASN A 25 -13.640 4.938 1.203 1.00 0.00 C ATOM 339 CG ASN A 25 -15.141 4.967 1.375 1.00 0.00 C ATOM 340 OD1 ASN A 25 -15.759 6.043 1.381 1.00 0.00 O ATOM 341 ND2 ASN A 25 -15.738 3.816 1.551 1.00 0.00 N ATOM 0 H ASN A 25 -13.275 2.793 -0.318 1.00 0.00 H new ATOM 0 HA ASN A 25 -13.719 5.675 -0.824 1.00 0.00 H new ATOM 0 HB2 ASN A 25 -13.241 4.063 1.717 1.00 0.00 H new ATOM 0 HB3 ASN A 25 -13.211 5.815 1.687 1.00 0.00 H new ATOM 0 HD21 ASN A 25 -16.747 3.782 1.700 1.00 0.00 H new ATOM 0 HD22 ASN A 25 -15.195 2.953 1.539 1.00 0.00 H new ATOM 348 N VAL A 26 -11.040 4.391 -1.105 1.00 0.00 N ATOM 349 CA VAL A 26 -9.628 4.450 -1.206 1.00 0.00 C ATOM 350 C VAL A 26 -9.181 5.633 -2.034 1.00 0.00 C ATOM 351 O VAL A 26 -9.918 6.135 -2.883 1.00 0.00 O ATOM 352 CB VAL A 26 -9.153 3.160 -1.825 1.00 0.00 C ATOM 353 CG1 VAL A 26 -9.112 3.104 -3.320 1.00 0.00 C ATOM 354 CG2 VAL A 26 -8.003 2.558 -1.160 1.00 0.00 C ATOM 0 H VAL A 26 -11.470 3.676 -1.691 1.00 0.00 H new ATOM 0 HA VAL A 26 -9.196 4.578 -0.213 1.00 0.00 H new ATOM 0 HB VAL A 26 -9.983 2.488 -1.606 1.00 0.00 H new ATOM 0 HG11 VAL A 26 -8.754 2.125 -3.638 1.00 0.00 H new ATOM 0 HG12 VAL A 26 -10.113 3.271 -3.718 1.00 0.00 H new ATOM 0 HG13 VAL A 26 -8.440 3.876 -3.695 1.00 0.00 H new ATOM 0 HG21 VAL A 26 -7.729 1.635 -1.671 1.00 0.00 H new ATOM 0 HG22 VAL A 26 -7.162 3.251 -1.188 1.00 0.00 H new ATOM 0 HG23 VAL A 26 -8.257 2.337 -0.123 1.00 0.00 H new ATOM 364 N GLU A 27 -8.004 6.069 -1.773 1.00 0.00 N ATOM 365 CA GLU A 27 -7.424 7.139 -2.476 1.00 0.00 C ATOM 366 C GLU A 27 -6.292 6.589 -3.280 1.00 0.00 C ATOM 367 O GLU A 27 -5.294 6.135 -2.731 1.00 0.00 O ATOM 368 CB GLU A 27 -6.890 8.126 -1.510 1.00 0.00 C ATOM 369 CG GLU A 27 -6.695 9.457 -2.088 1.00 0.00 C ATOM 370 CD GLU A 27 -7.999 10.136 -2.389 1.00 0.00 C ATOM 371 OE1 GLU A 27 -8.538 9.971 -3.497 1.00 0.00 O ATOM 372 OE2 GLU A 27 -8.515 10.845 -1.501 1.00 0.00 O ATOM 0 H GLU A 27 -7.407 5.678 -1.045 1.00 0.00 H new ATOM 0 HA GLU A 27 -8.161 7.622 -3.117 1.00 0.00 H new ATOM 0 HB2 GLU A 27 -7.573 8.202 -0.664 1.00 0.00 H new ATOM 0 HB3 GLU A 27 -5.939 7.764 -1.120 1.00 0.00 H new ATOM 0 HG2 GLU A 27 -6.118 10.071 -1.397 1.00 0.00 H new ATOM 0 HG3 GLU A 27 -6.110 9.372 -3.004 1.00 0.00 H new ATOM 379 N TRP A 28 -6.433 6.613 -4.541 1.00 0.00 N ATOM 380 CA TRP A 28 -5.473 6.013 -5.396 1.00 0.00 C ATOM 381 C TRP A 28 -4.200 6.768 -5.548 1.00 0.00 C ATOM 382 O TRP A 28 -4.181 7.972 -5.801 1.00 0.00 O ATOM 383 CB TRP A 28 -6.071 5.602 -6.693 1.00 0.00 C ATOM 384 CG TRP A 28 -6.832 4.369 -6.544 1.00 0.00 C ATOM 385 CD1 TRP A 28 -8.145 4.204 -6.687 1.00 0.00 C ATOM 386 CD2 TRP A 28 -6.302 3.114 -6.179 1.00 0.00 C ATOM 387 NE1 TRP A 28 -8.482 2.909 -6.452 1.00 0.00 N ATOM 388 CE2 TRP A 28 -7.358 2.219 -6.144 1.00 0.00 C ATOM 389 CE3 TRP A 28 -5.021 2.662 -5.888 1.00 0.00 C ATOM 390 CZ2 TRP A 28 -7.185 0.903 -5.837 1.00 0.00 C ATOM 391 CZ3 TRP A 28 -4.854 1.347 -5.572 1.00 0.00 C ATOM 392 CH2 TRP A 28 -5.929 0.485 -5.552 1.00 0.00 C ATOM 0 H TRP A 28 -7.219 7.050 -5.023 1.00 0.00 H new ATOM 0 HA TRP A 28 -5.163 5.105 -4.879 1.00 0.00 H new ATOM 0 HB2 TRP A 28 -6.721 6.393 -7.066 1.00 0.00 H new ATOM 0 HB3 TRP A 28 -5.284 5.461 -7.433 1.00 0.00 H new ATOM 0 HD1 TRP A 28 -8.841 4.986 -6.951 1.00 0.00 H new ATOM 0 HE1 TRP A 28 -9.424 2.521 -6.500 1.00 0.00 H new ATOM 0 HE3 TRP A 28 -4.178 3.337 -5.912 1.00 0.00 H new ATOM 0 HZ2 TRP A 28 -8.020 0.218 -5.822 1.00 0.00 H new ATOM 0 HZ3 TRP A 28 -3.868 0.976 -5.335 1.00 0.00 H new ATOM 0 HH2 TRP A 28 -5.765 -0.553 -5.302 1.00 0.00 H new ATOM 403 N ASN A 29 -3.122 6.011 -5.317 1.00 0.00 N ATOM 404 CA ASN A 29 -1.737 6.464 -5.406 1.00 0.00 C ATOM 405 C ASN A 29 -1.439 7.448 -4.299 1.00 0.00 C ATOM 406 O ASN A 29 -0.462 8.184 -4.303 1.00 0.00 O ATOM 407 CB ASN A 29 -1.443 6.998 -6.795 1.00 0.00 C ATOM 408 CG ASN A 29 0.014 7.009 -7.117 1.00 0.00 C ATOM 409 OD1 ASN A 29 0.446 5.952 -7.677 1.00 0.00 O flip ATOM 410 ND2 ASN A 29 0.740 7.988 -6.890 1.00 0.00 N flip ATOM 0 H ASN A 29 -3.197 5.029 -5.053 1.00 0.00 H new ATOM 0 HA ASN A 29 -1.060 5.623 -5.258 1.00 0.00 H new ATOM 0 HB2 ASN A 29 -1.968 6.389 -7.531 1.00 0.00 H new ATOM 0 HB3 ASN A 29 -1.836 8.011 -6.880 1.00 0.00 H new ATOM 0 HD21 ASN A 29 0.353 8.816 -6.438 1.00 0.00 H new ATOM 0 HD22 ASN A 29 1.725 7.965 -7.155 1.00 0.00 H new ATOM 417 N ILE A 30 -2.269 7.392 -3.316 1.00 0.00 N ATOM 418 CA ILE A 30 -2.123 8.188 -2.152 1.00 0.00 C ATOM 419 C ILE A 30 -2.124 7.262 -1.008 1.00 0.00 C ATOM 420 O ILE A 30 -3.125 6.603 -0.752 1.00 0.00 O ATOM 421 CB ILE A 30 -3.255 9.262 -1.953 1.00 0.00 C ATOM 422 CG1 ILE A 30 -3.296 10.229 -3.157 1.00 0.00 C ATOM 423 CG2 ILE A 30 -3.123 10.009 -0.596 1.00 0.00 C ATOM 424 CD1 ILE A 30 -4.098 11.507 -2.956 1.00 0.00 C ATOM 0 H ILE A 30 -3.084 6.779 -3.300 1.00 0.00 H new ATOM 0 HA ILE A 30 -1.199 8.758 -2.245 1.00 0.00 H new ATOM 0 HB ILE A 30 -4.212 8.741 -1.912 1.00 0.00 H new ATOM 0 HG12 ILE A 30 -2.273 10.502 -3.414 1.00 0.00 H new ATOM 0 HG13 ILE A 30 -3.708 9.695 -4.013 1.00 0.00 H new ATOM 0 HG21 ILE A 30 -3.926 10.740 -0.504 1.00 0.00 H new ATOM 0 HG22 ILE A 30 -3.189 9.292 0.222 1.00 0.00 H new ATOM 0 HG23 ILE A 30 -2.161 10.520 -0.554 1.00 0.00 H new ATOM 0 HD11 ILE A 30 -4.057 12.109 -3.864 1.00 0.00 H new ATOM 0 HD12 ILE A 30 -5.135 11.255 -2.734 1.00 0.00 H new ATOM 0 HD13 ILE A 30 -3.677 12.074 -2.126 1.00 0.00 H new ATOM 436 N CYS A 31 -0.967 7.095 -0.416 1.00 0.00 N ATOM 437 CA CYS A 31 -0.856 6.370 0.816 1.00 0.00 C ATOM 438 C CYS A 31 -1.877 6.914 1.798 1.00 0.00 C ATOM 439 O CYS A 31 -1.759 8.036 2.273 1.00 0.00 O ATOM 440 CB CYS A 31 0.599 6.428 1.363 1.00 0.00 C ATOM 441 SG CYS A 31 0.846 5.992 3.087 1.00 0.00 S ATOM 0 H CYS A 31 -0.084 7.457 -0.775 1.00 0.00 H new ATOM 0 HA CYS A 31 -1.073 5.314 0.653 1.00 0.00 H new ATOM 0 HB2 CYS A 31 1.215 5.765 0.755 1.00 0.00 H new ATOM 0 HB3 CYS A 31 0.976 7.440 1.213 1.00 0.00 H new ATOM 446 N GLN A 32 -2.914 6.136 2.029 1.00 0.00 N ATOM 447 CA GLN A 32 -3.992 6.510 2.924 1.00 0.00 C ATOM 448 C GLN A 32 -3.497 6.702 4.348 1.00 0.00 C ATOM 449 O GLN A 32 -4.115 7.397 5.150 1.00 0.00 O ATOM 450 CB GLN A 32 -5.142 5.516 2.860 1.00 0.00 C ATOM 451 CG GLN A 32 -4.767 4.099 3.121 1.00 0.00 C ATOM 452 CD GLN A 32 -5.971 3.223 3.047 1.00 0.00 C ATOM 453 OE1 GLN A 32 -6.622 2.950 4.043 1.00 0.00 O ATOM 454 NE2 GLN A 32 -6.321 2.835 1.868 1.00 0.00 N ATOM 0 H GLN A 32 -3.034 5.219 1.598 1.00 0.00 H new ATOM 0 HA GLN A 32 -4.376 7.472 2.584 1.00 0.00 H new ATOM 0 HB2 GLN A 32 -5.900 5.814 3.584 1.00 0.00 H new ATOM 0 HB3 GLN A 32 -5.601 5.578 1.873 1.00 0.00 H new ATOM 0 HG2 GLN A 32 -4.026 3.772 2.392 1.00 0.00 H new ATOM 0 HG3 GLN A 32 -4.306 4.013 4.105 1.00 0.00 H new ATOM 0 HE21 GLN A 32 -5.751 3.083 1.059 1.00 0.00 H new ATOM 0 HE22 GLN A 32 -7.168 2.280 1.744 1.00 0.00 H new ATOM 463 N ASP A 33 -2.359 6.134 4.641 1.00 0.00 N ATOM 464 CA ASP A 33 -1.755 6.321 5.940 1.00 0.00 C ATOM 465 C ASP A 33 -1.062 7.702 5.992 1.00 0.00 C ATOM 466 O ASP A 33 -0.741 8.199 7.042 1.00 0.00 O ATOM 467 CB ASP A 33 -0.779 5.194 6.255 1.00 0.00 C ATOM 468 CG ASP A 33 -0.430 5.118 7.726 1.00 0.00 C ATOM 469 OD1 ASP A 33 -1.222 4.550 8.515 1.00 0.00 O ATOM 470 OD2 ASP A 33 0.621 5.600 8.112 1.00 0.00 O ATOM 0 H ASP A 33 -1.830 5.539 4.003 1.00 0.00 H new ATOM 0 HA ASP A 33 -2.532 6.293 6.704 1.00 0.00 H new ATOM 0 HB2 ASP A 33 -1.212 4.245 5.939 1.00 0.00 H new ATOM 0 HB3 ASP A 33 0.133 5.337 5.676 1.00 0.00 H new ATOM 475 N CYS A 34 -0.849 8.330 4.809 1.00 0.00 N ATOM 476 CA CYS A 34 -0.331 9.642 4.718 1.00 0.00 C ATOM 477 C CYS A 34 -1.410 10.697 4.866 1.00 0.00 C ATOM 478 O CYS A 34 -1.152 11.788 5.322 1.00 0.00 O ATOM 479 CB CYS A 34 0.415 9.847 3.423 1.00 0.00 C ATOM 480 SG CYS A 34 2.182 9.476 3.425 1.00 0.00 S ATOM 0 H CYS A 34 -1.047 7.902 3.905 1.00 0.00 H new ATOM 0 HA CYS A 34 0.365 9.757 5.549 1.00 0.00 H new ATOM 0 HB2 CYS A 34 -0.059 9.232 2.658 1.00 0.00 H new ATOM 0 HB3 CYS A 34 0.288 10.886 3.120 1.00 0.00 H new ATOM 485 N LYS A 35 -2.601 10.383 4.484 1.00 0.00 N ATOM 486 CA LYS A 35 -3.667 11.351 4.620 1.00 0.00 C ATOM 487 C LYS A 35 -4.218 11.349 6.018 1.00 0.00 C ATOM 488 O LYS A 35 -4.846 12.303 6.455 1.00 0.00 O ATOM 489 CB LYS A 35 -4.766 11.133 3.628 1.00 0.00 C ATOM 490 CG LYS A 35 -5.222 9.739 3.536 1.00 0.00 C ATOM 491 CD LYS A 35 -6.600 9.623 2.939 1.00 0.00 C ATOM 492 CE LYS A 35 -6.747 10.260 1.567 1.00 0.00 C ATOM 493 NZ LYS A 35 -8.145 10.169 1.086 1.00 0.00 N ATOM 0 H LYS A 35 -2.871 9.486 4.081 1.00 0.00 H new ATOM 0 HA LYS A 35 -3.231 12.328 4.412 1.00 0.00 H new ATOM 0 HB2 LYS A 35 -5.613 11.764 3.896 1.00 0.00 H new ATOM 0 HB3 LYS A 35 -4.424 11.458 2.645 1.00 0.00 H new ATOM 0 HG2 LYS A 35 -4.518 9.169 2.931 1.00 0.00 H new ATOM 0 HG3 LYS A 35 -5.221 9.293 4.531 1.00 0.00 H new ATOM 0 HD2 LYS A 35 -6.863 8.568 2.866 1.00 0.00 H new ATOM 0 HD3 LYS A 35 -7.317 10.084 3.619 1.00 0.00 H new ATOM 0 HE2 LYS A 35 -6.442 11.305 1.613 1.00 0.00 H new ATOM 0 HE3 LYS A 35 -6.082 9.765 0.859 1.00 0.00 H new ATOM 0 HZ1 LYS A 35 -8.219 10.611 0.147 1.00 0.00 H new ATOM 0 HZ2 LYS A 35 -8.425 9.170 1.021 1.00 0.00 H new ATOM 0 HZ3 LYS A 35 -8.774 10.662 1.751 1.00 0.00 H new ATOM 507 N THR A 36 -3.989 10.286 6.716 1.00 0.00 N ATOM 508 CA THR A 36 -4.405 10.189 8.069 1.00 0.00 C ATOM 509 C THR A 36 -3.207 10.358 8.965 1.00 0.00 C ATOM 510 O THR A 36 -3.267 10.095 10.174 1.00 0.00 O ATOM 511 CB THR A 36 -5.054 8.833 8.359 1.00 0.00 C ATOM 512 OG1 THR A 36 -4.234 7.768 7.835 1.00 0.00 O ATOM 513 CG2 THR A 36 -6.431 8.767 7.774 1.00 0.00 C ATOM 0 H THR A 36 -3.507 9.461 6.360 1.00 0.00 H new ATOM 0 HA THR A 36 -5.142 10.970 8.256 1.00 0.00 H new ATOM 0 HB THR A 36 -5.137 8.715 9.439 1.00 0.00 H new ATOM 0 HG1 THR A 36 -4.319 7.739 6.859 1.00 0.00 H new ATOM 0 HG21 THR A 36 -6.873 7.795 7.992 1.00 0.00 H new ATOM 0 HG22 THR A 36 -7.049 9.552 8.209 1.00 0.00 H new ATOM 0 HG23 THR A 36 -6.375 8.906 6.694 1.00 0.00 H new ATOM 521 N ASP A 37 -2.145 10.857 8.378 1.00 0.00 N ATOM 522 CA ASP A 37 -0.869 10.897 9.012 1.00 0.00 C ATOM 523 C ASP A 37 -0.813 11.980 10.008 1.00 0.00 C ATOM 524 O ASP A 37 -0.740 13.161 9.665 1.00 0.00 O ATOM 525 CB ASP A 37 0.238 11.127 8.018 1.00 0.00 C ATOM 526 CG ASP A 37 1.570 10.575 8.449 1.00 0.00 C ATOM 527 OD1 ASP A 37 1.617 9.741 9.386 1.00 0.00 O ATOM 528 OD2 ASP A 37 2.605 10.926 7.801 1.00 0.00 O ATOM 0 H ASP A 37 -2.153 11.249 7.436 1.00 0.00 H new ATOM 0 HA ASP A 37 -0.732 9.929 9.494 1.00 0.00 H new ATOM 0 HB2 ASP A 37 -0.041 10.674 7.067 1.00 0.00 H new ATOM 0 HB3 ASP A 37 0.339 12.198 7.843 1.00 0.00 H new ATOM 533 N ASN A 38 -0.980 11.599 11.212 1.00 0.00 N ATOM 534 CA ASN A 38 -0.692 12.491 12.352 1.00 0.00 C ATOM 535 C ASN A 38 0.866 12.740 12.423 1.00 0.00 C ATOM 536 O ASN A 38 1.599 12.353 11.488 1.00 0.00 O ATOM 537 CB ASN A 38 -1.223 11.876 13.675 1.00 0.00 C ATOM 538 CG ASN A 38 -1.157 12.851 14.856 1.00 0.00 C ATOM 539 OD1 ASN A 38 -1.273 14.066 14.685 1.00 0.00 O ATOM 540 ND2 ASN A 38 -0.921 12.352 16.028 1.00 0.00 N ATOM 0 H ASN A 38 -1.317 10.673 11.475 1.00 0.00 H new ATOM 0 HA ASN A 38 -1.200 13.445 12.211 1.00 0.00 H new ATOM 0 HB2 ASN A 38 -2.255 11.556 13.532 1.00 0.00 H new ATOM 0 HB3 ASN A 38 -0.643 10.985 13.914 1.00 0.00 H new ATOM 0 HD21 ASN A 38 -0.827 12.968 16.835 1.00 0.00 H new ATOM 0 HD22 ASN A 38 -0.829 11.343 16.144 1.00 0.00 H new ATOM 547 N LYS A 39 1.366 13.391 13.510 1.00 0.00 N ATOM 548 CA LYS A 39 2.797 13.717 13.741 1.00 0.00 C ATOM 549 C LYS A 39 3.208 14.913 12.903 1.00 0.00 C ATOM 550 O LYS A 39 3.731 15.902 13.412 1.00 0.00 O ATOM 551 CB LYS A 39 3.707 12.525 13.435 1.00 0.00 C ATOM 552 CG LYS A 39 3.429 11.282 14.259 1.00 0.00 C ATOM 553 CD LYS A 39 3.791 10.017 13.480 1.00 0.00 C ATOM 554 CE LYS A 39 5.234 10.000 13.006 1.00 0.00 C ATOM 555 NZ LYS A 39 5.478 8.883 12.069 1.00 0.00 N ATOM 0 H LYS A 39 0.765 13.711 14.270 1.00 0.00 H new ATOM 0 HA LYS A 39 2.911 13.961 14.797 1.00 0.00 H new ATOM 0 HB2 LYS A 39 3.609 12.273 12.379 1.00 0.00 H new ATOM 0 HB3 LYS A 39 4.742 12.826 13.596 1.00 0.00 H new ATOM 0 HG2 LYS A 39 4.002 11.320 15.185 1.00 0.00 H new ATOM 0 HG3 LYS A 39 2.375 11.253 14.537 1.00 0.00 H new ATOM 0 HD2 LYS A 39 3.612 9.146 14.110 1.00 0.00 H new ATOM 0 HD3 LYS A 39 3.131 9.928 12.617 1.00 0.00 H new ATOM 0 HE2 LYS A 39 5.470 10.945 12.518 1.00 0.00 H new ATOM 0 HE3 LYS A 39 5.900 9.910 13.864 1.00 0.00 H new ATOM 0 HZ1 LYS A 39 6.361 9.055 11.546 1.00 0.00 H new ATOM 0 HZ2 LYS A 39 5.559 7.994 12.602 1.00 0.00 H new ATOM 0 HZ3 LYS A 39 4.686 8.813 11.398 1.00 0.00 H new ATOM 569 N VAL A 40 2.969 14.799 11.633 1.00 0.00 N ATOM 570 CA VAL A 40 3.249 15.833 10.674 1.00 0.00 C ATOM 571 C VAL A 40 1.940 16.491 10.259 1.00 0.00 C ATOM 572 O VAL A 40 0.919 15.827 10.130 1.00 0.00 O ATOM 573 CB VAL A 40 4.027 15.269 9.441 1.00 0.00 C ATOM 574 CG1 VAL A 40 3.350 14.035 8.888 1.00 0.00 C ATOM 575 CG2 VAL A 40 4.186 16.311 8.341 1.00 0.00 C ATOM 0 H VAL A 40 2.562 13.961 11.219 1.00 0.00 H new ATOM 0 HA VAL A 40 3.894 16.584 11.131 1.00 0.00 H new ATOM 0 HB VAL A 40 5.022 14.998 9.795 1.00 0.00 H new ATOM 0 HG11 VAL A 40 3.913 13.664 8.031 1.00 0.00 H new ATOM 0 HG12 VAL A 40 3.312 13.265 9.658 1.00 0.00 H new ATOM 0 HG13 VAL A 40 2.336 14.285 8.575 1.00 0.00 H new ATOM 0 HG21 VAL A 40 4.732 15.876 7.504 1.00 0.00 H new ATOM 0 HG22 VAL A 40 3.202 16.636 8.003 1.00 0.00 H new ATOM 0 HG23 VAL A 40 4.738 17.168 8.728 1.00 0.00 H new ATOM 585 N LYS A 41 1.963 17.777 10.101 1.00 0.00 N ATOM 586 CA LYS A 41 0.766 18.513 9.761 1.00 0.00 C ATOM 587 C LYS A 41 0.773 18.986 8.317 1.00 0.00 C ATOM 588 O LYS A 41 -0.193 18.745 7.579 1.00 0.00 O ATOM 589 CB LYS A 41 0.581 19.699 10.708 1.00 0.00 C ATOM 590 CG LYS A 41 0.382 19.299 12.158 1.00 0.00 C ATOM 591 CD LYS A 41 0.216 20.514 13.050 1.00 0.00 C ATOM 592 CE LYS A 41 -0.052 20.115 14.490 1.00 0.00 C ATOM 593 NZ LYS A 41 -1.288 19.310 14.618 1.00 0.00 N ATOM 0 H LYS A 41 2.800 18.351 10.201 1.00 0.00 H new ATOM 0 HA LYS A 41 -0.076 17.830 9.874 1.00 0.00 H new ATOM 0 HB2 LYS A 41 1.453 20.349 10.636 1.00 0.00 H new ATOM 0 HB3 LYS A 41 -0.279 20.283 10.380 1.00 0.00 H new ATOM 0 HG2 LYS A 41 -0.497 18.660 12.243 1.00 0.00 H new ATOM 0 HG3 LYS A 41 1.236 18.712 12.496 1.00 0.00 H new ATOM 0 HD2 LYS A 41 1.116 21.127 13.003 1.00 0.00 H new ATOM 0 HD3 LYS A 41 -0.607 21.127 12.682 1.00 0.00 H new ATOM 0 HE2 LYS A 41 0.794 19.544 14.872 1.00 0.00 H new ATOM 0 HE3 LYS A 41 -0.137 21.011 15.105 1.00 0.00 H new ATOM 0 HZ1 LYS A 41 -1.595 19.300 15.612 1.00 0.00 H new ATOM 0 HZ2 LYS A 41 -2.037 19.727 14.029 1.00 0.00 H new ATOM 0 HZ3 LYS A 41 -1.102 18.336 14.303 1.00 0.00 H new ATOM 607 N ASP A 42 1.874 19.627 7.914 1.00 0.00 N ATOM 608 CA ASP A 42 2.005 20.256 6.584 1.00 0.00 C ATOM 609 C ASP A 42 1.770 19.300 5.429 1.00 0.00 C ATOM 610 O ASP A 42 0.679 19.285 4.844 1.00 0.00 O ATOM 611 CB ASP A 42 3.369 20.947 6.395 1.00 0.00 C ATOM 612 CG ASP A 42 3.578 22.151 7.273 1.00 0.00 C ATOM 613 OD1 ASP A 42 4.042 21.999 8.414 1.00 0.00 O ATOM 614 OD2 ASP A 42 3.314 23.291 6.823 1.00 0.00 O ATOM 0 H ASP A 42 2.705 19.728 8.497 1.00 0.00 H new ATOM 0 HA ASP A 42 1.213 21.005 6.563 1.00 0.00 H new ATOM 0 HB2 ASP A 42 4.160 20.224 6.594 1.00 0.00 H new ATOM 0 HB3 ASP A 42 3.469 21.250 5.353 1.00 0.00 H new ATOM 619 N LYS A 43 2.811 18.517 5.083 1.00 0.00 N ATOM 620 CA LYS A 43 2.783 17.583 3.936 1.00 0.00 C ATOM 621 C LYS A 43 2.605 18.320 2.626 1.00 0.00 C ATOM 622 O LYS A 43 2.231 17.727 1.604 1.00 0.00 O ATOM 623 CB LYS A 43 1.712 16.512 4.071 1.00 0.00 C ATOM 624 CG LYS A 43 1.989 15.482 5.111 1.00 0.00 C ATOM 625 CD LYS A 43 0.959 14.425 5.066 1.00 0.00 C ATOM 626 CE LYS A 43 1.332 13.320 5.983 1.00 0.00 C ATOM 627 NZ LYS A 43 2.609 12.660 5.623 1.00 0.00 N ATOM 0 H LYS A 43 3.696 18.513 5.590 1.00 0.00 H new ATOM 0 HA LYS A 43 3.752 17.084 3.938 1.00 0.00 H new ATOM 0 HB2 LYS A 43 0.762 16.994 4.301 1.00 0.00 H new ATOM 0 HB3 LYS A 43 1.592 16.014 3.109 1.00 0.00 H new ATOM 0 HG2 LYS A 43 2.975 15.047 4.949 1.00 0.00 H new ATOM 0 HG3 LYS A 43 2.003 15.945 6.098 1.00 0.00 H new ATOM 0 HD2 LYS A 43 -0.009 14.836 5.352 1.00 0.00 H new ATOM 0 HD3 LYS A 43 0.857 14.047 4.049 1.00 0.00 H new ATOM 0 HE2 LYS A 43 1.407 13.710 6.998 1.00 0.00 H new ATOM 0 HE3 LYS A 43 0.535 12.576 5.986 1.00 0.00 H new ATOM 0 HZ1 LYS A 43 2.711 11.780 6.168 1.00 0.00 H new ATOM 0 HZ2 LYS A 43 2.611 12.440 4.607 1.00 0.00 H new ATOM 0 HZ3 LYS A 43 3.402 13.296 5.841 1.00 0.00 H new ATOM 641 N ALA A 44 2.897 19.593 2.656 1.00 0.00 N ATOM 642 CA ALA A 44 2.793 20.414 1.502 1.00 0.00 C ATOM 643 C ALA A 44 4.031 20.207 0.691 1.00 0.00 C ATOM 644 O ALA A 44 3.962 19.756 -0.455 1.00 0.00 O ATOM 645 CB ALA A 44 2.642 21.873 1.900 1.00 0.00 C ATOM 0 H ALA A 44 3.215 20.083 3.492 1.00 0.00 H new ATOM 0 HA ALA A 44 1.912 20.147 0.918 1.00 0.00 H new ATOM 0 HB1 ALA A 44 2.564 22.488 1.004 1.00 0.00 H new ATOM 0 HB2 ALA A 44 1.742 21.994 2.503 1.00 0.00 H new ATOM 0 HB3 ALA A 44 3.512 22.184 2.479 1.00 0.00 H new ATOM 651 N GLU A 45 5.161 20.453 1.352 1.00 0.00 N ATOM 652 CA GLU A 45 6.495 20.329 0.818 1.00 0.00 C ATOM 653 C GLU A 45 6.604 20.818 -0.619 1.00 0.00 C ATOM 654 O GLU A 45 6.940 20.069 -1.544 1.00 0.00 O ATOM 655 CB GLU A 45 7.079 18.927 1.067 1.00 0.00 C ATOM 656 CG GLU A 45 7.502 18.661 2.537 1.00 0.00 C ATOM 657 CD GLU A 45 6.384 18.775 3.584 1.00 0.00 C ATOM 658 OE1 GLU A 45 5.921 19.914 3.883 1.00 0.00 O ATOM 659 OE2 GLU A 45 5.973 17.745 4.161 1.00 0.00 O ATOM 0 H GLU A 45 5.158 20.760 2.325 1.00 0.00 H new ATOM 0 HA GLU A 45 7.137 21.011 1.376 1.00 0.00 H new ATOM 0 HB2 GLU A 45 6.340 18.181 0.774 1.00 0.00 H new ATOM 0 HB3 GLU A 45 7.946 18.788 0.421 1.00 0.00 H new ATOM 0 HG2 GLU A 45 7.930 17.660 2.597 1.00 0.00 H new ATOM 0 HG3 GLU A 45 8.294 19.362 2.800 1.00 0.00 H new ATOM 666 N GLU A 46 6.313 22.102 -0.769 1.00 0.00 N ATOM 667 CA GLU A 46 6.210 22.772 -2.053 1.00 0.00 C ATOM 668 C GLU A 46 7.559 22.935 -2.745 1.00 0.00 C ATOM 669 O GLU A 46 7.618 23.154 -3.947 1.00 0.00 O ATOM 670 CB GLU A 46 5.551 24.145 -1.866 1.00 0.00 C ATOM 671 CG GLU A 46 6.318 25.071 -0.922 1.00 0.00 C ATOM 672 CD GLU A 46 5.517 25.489 0.279 1.00 0.00 C ATOM 673 OE1 GLU A 46 5.550 24.782 1.315 1.00 0.00 O ATOM 674 OE2 GLU A 46 4.848 26.540 0.224 1.00 0.00 O ATOM 0 H GLU A 46 6.138 22.722 0.022 1.00 0.00 H new ATOM 0 HA GLU A 46 5.597 22.142 -2.697 1.00 0.00 H new ATOM 0 HB2 GLU A 46 5.457 24.629 -2.838 1.00 0.00 H new ATOM 0 HB3 GLU A 46 4.541 24.004 -1.481 1.00 0.00 H new ATOM 0 HG2 GLU A 46 7.225 24.568 -0.588 1.00 0.00 H new ATOM 0 HG3 GLU A 46 6.630 25.960 -1.470 1.00 0.00 H new ATOM 681 N GLU A 47 8.623 22.852 -1.999 1.00 0.00 N ATOM 682 CA GLU A 47 9.913 23.027 -2.558 1.00 0.00 C ATOM 683 C GLU A 47 10.591 21.671 -2.770 1.00 0.00 C ATOM 684 O GLU A 47 11.305 21.474 -3.762 1.00 0.00 O ATOM 685 CB GLU A 47 10.724 23.973 -1.676 1.00 0.00 C ATOM 686 CG GLU A 47 12.085 24.300 -2.211 1.00 0.00 C ATOM 687 CD GLU A 47 12.769 25.371 -1.409 1.00 0.00 C ATOM 688 OE1 GLU A 47 13.191 25.106 -0.273 1.00 0.00 O ATOM 689 OE2 GLU A 47 12.888 26.519 -1.894 1.00 0.00 O ATOM 0 H GLU A 47 8.612 22.663 -0.997 1.00 0.00 H new ATOM 0 HA GLU A 47 9.838 23.487 -3.543 1.00 0.00 H new ATOM 0 HB2 GLU A 47 10.165 24.900 -1.547 1.00 0.00 H new ATOM 0 HB3 GLU A 47 10.833 23.526 -0.688 1.00 0.00 H new ATOM 0 HG2 GLU A 47 12.700 23.400 -2.210 1.00 0.00 H new ATOM 0 HG3 GLU A 47 11.997 24.625 -3.248 1.00 0.00 H new ATOM 696 N THR A 48 10.345 20.733 -1.872 1.00 0.00 N ATOM 697 CA THR A 48 10.899 19.400 -2.006 1.00 0.00 C ATOM 698 C THR A 48 10.213 18.645 -3.166 1.00 0.00 C ATOM 699 O THR A 48 10.880 18.229 -4.119 1.00 0.00 O ATOM 700 CB THR A 48 10.751 18.594 -0.697 1.00 0.00 C ATOM 701 OG1 THR A 48 11.275 19.358 0.403 1.00 0.00 O ATOM 702 CG2 THR A 48 11.511 17.279 -0.784 1.00 0.00 C ATOM 0 H THR A 48 9.766 20.871 -1.044 1.00 0.00 H new ATOM 0 HA THR A 48 11.962 19.505 -2.224 1.00 0.00 H new ATOM 0 HB THR A 48 9.692 18.386 -0.543 1.00 0.00 H new ATOM 0 HG1 THR A 48 11.178 18.845 1.233 1.00 0.00 H new ATOM 0 HG21 THR A 48 11.393 16.728 0.149 1.00 0.00 H new ATOM 0 HG22 THR A 48 11.117 16.685 -1.609 1.00 0.00 H new ATOM 0 HG23 THR A 48 12.569 17.481 -0.955 1.00 0.00 H new ATOM 710 N GLU A 49 8.883 18.524 -3.082 1.00 0.00 N ATOM 711 CA GLU A 49 8.049 17.830 -4.072 1.00 0.00 C ATOM 712 C GLU A 49 8.531 16.423 -4.395 1.00 0.00 C ATOM 713 O GLU A 49 9.069 16.155 -5.493 1.00 0.00 O ATOM 714 CB GLU A 49 7.882 18.628 -5.347 1.00 0.00 C ATOM 715 CG GLU A 49 7.224 19.963 -5.147 1.00 0.00 C ATOM 716 CD GLU A 49 7.039 20.688 -6.445 1.00 0.00 C ATOM 717 OE1 GLU A 49 6.002 20.487 -7.112 1.00 0.00 O ATOM 718 OE2 GLU A 49 7.928 21.460 -6.844 1.00 0.00 O ATOM 0 H GLU A 49 8.345 18.914 -2.308 1.00 0.00 H new ATOM 0 HA GLU A 49 7.075 17.735 -3.593 1.00 0.00 H new ATOM 0 HB2 GLU A 49 8.862 18.781 -5.799 1.00 0.00 H new ATOM 0 HB3 GLU A 49 7.292 18.045 -6.054 1.00 0.00 H new ATOM 0 HG2 GLU A 49 6.256 19.823 -4.667 1.00 0.00 H new ATOM 0 HG3 GLU A 49 7.829 20.570 -4.474 1.00 0.00 H new ATOM 725 N GLU A 50 8.369 15.548 -3.466 1.00 0.00 N ATOM 726 CA GLU A 50 8.717 14.175 -3.669 1.00 0.00 C ATOM 727 C GLU A 50 7.496 13.301 -3.742 1.00 0.00 C ATOM 728 O GLU A 50 6.432 13.645 -3.219 1.00 0.00 O ATOM 729 CB GLU A 50 9.819 13.671 -2.711 1.00 0.00 C ATOM 730 CG GLU A 50 9.633 13.977 -1.231 1.00 0.00 C ATOM 731 CD GLU A 50 8.639 13.100 -0.497 1.00 0.00 C ATOM 732 OE1 GLU A 50 9.049 12.013 -0.007 1.00 0.00 O ATOM 733 OE2 GLU A 50 7.476 13.500 -0.332 1.00 0.00 O ATOM 0 H GLU A 50 7.992 15.758 -2.542 1.00 0.00 H new ATOM 0 HA GLU A 50 9.187 14.104 -4.650 1.00 0.00 H new ATOM 0 HB2 GLU A 50 9.902 12.590 -2.827 1.00 0.00 H new ATOM 0 HB3 GLU A 50 10.769 14.100 -3.030 1.00 0.00 H new ATOM 0 HG2 GLU A 50 10.601 13.890 -0.737 1.00 0.00 H new ATOM 0 HG3 GLU A 50 9.316 15.015 -1.131 1.00 0.00 H new ATOM 740 N LYS A 51 7.625 12.244 -4.480 1.00 0.00 N ATOM 741 CA LYS A 51 6.557 11.332 -4.741 1.00 0.00 C ATOM 742 C LYS A 51 7.072 9.926 -4.540 1.00 0.00 C ATOM 743 O LYS A 51 7.695 9.356 -5.443 1.00 0.00 O ATOM 744 CB LYS A 51 6.017 11.479 -6.185 1.00 0.00 C ATOM 745 CG LYS A 51 5.679 12.902 -6.602 1.00 0.00 C ATOM 746 CD LYS A 51 6.900 13.657 -7.116 1.00 0.00 C ATOM 747 CE LYS A 51 6.565 15.087 -7.497 1.00 0.00 C ATOM 748 NZ LYS A 51 7.769 15.818 -7.935 1.00 0.00 N ATOM 0 H LYS A 51 8.502 11.984 -4.931 1.00 0.00 H new ATOM 0 HA LYS A 51 5.737 11.551 -4.057 1.00 0.00 H new ATOM 0 HB2 LYS A 51 6.759 11.080 -6.877 1.00 0.00 H new ATOM 0 HB3 LYS A 51 5.123 10.864 -6.287 1.00 0.00 H new ATOM 0 HG2 LYS A 51 4.915 12.879 -7.379 1.00 0.00 H new ATOM 0 HG3 LYS A 51 5.254 13.437 -5.752 1.00 0.00 H new ATOM 0 HD2 LYS A 51 7.675 13.658 -6.349 1.00 0.00 H new ATOM 0 HD3 LYS A 51 7.309 13.137 -7.982 1.00 0.00 H new ATOM 0 HE2 LYS A 51 5.824 15.089 -8.296 1.00 0.00 H new ATOM 0 HE3 LYS A 51 6.116 15.598 -6.645 1.00 0.00 H new ATOM 0 HZ1 LYS A 51 7.489 16.724 -8.363 1.00 0.00 H new ATOM 0 HZ2 LYS A 51 8.383 15.998 -7.115 1.00 0.00 H new ATOM 0 HZ3 LYS A 51 8.285 15.249 -8.636 1.00 0.00 H new ATOM 762 N PRO A 52 6.879 9.368 -3.362 1.00 0.00 N ATOM 763 CA PRO A 52 7.359 8.027 -3.032 1.00 0.00 C ATOM 764 C PRO A 52 6.561 6.925 -3.717 1.00 0.00 C ATOM 765 O PRO A 52 5.571 7.186 -4.410 1.00 0.00 O ATOM 766 CB PRO A 52 7.143 7.966 -1.531 1.00 0.00 C ATOM 767 CG PRO A 52 5.998 8.865 -1.277 1.00 0.00 C ATOM 768 CD PRO A 52 6.183 9.997 -2.218 1.00 0.00 C ATOM 0 HA PRO A 52 8.387 7.868 -3.356 1.00 0.00 H new ATOM 0 HB2 PRO A 52 6.927 6.949 -1.203 1.00 0.00 H new ATOM 0 HB3 PRO A 52 8.031 8.294 -0.990 1.00 0.00 H new ATOM 0 HG2 PRO A 52 5.050 8.356 -1.453 1.00 0.00 H new ATOM 0 HG3 PRO A 52 5.988 9.209 -0.243 1.00 0.00 H new ATOM 0 HD2 PRO A 52 5.230 10.434 -2.516 1.00 0.00 H new ATOM 0 HD3 PRO A 52 6.776 10.797 -1.775 1.00 0.00 H new ATOM 776 N SER A 53 7.006 5.710 -3.538 1.00 0.00 N ATOM 777 CA SER A 53 6.344 4.575 -4.063 1.00 0.00 C ATOM 778 C SER A 53 5.108 4.284 -3.232 1.00 0.00 C ATOM 779 O SER A 53 5.125 4.447 -2.003 1.00 0.00 O ATOM 780 CB SER A 53 7.322 3.407 -4.080 1.00 0.00 C ATOM 781 OG SER A 53 8.107 3.356 -2.872 1.00 0.00 O ATOM 0 H SER A 53 7.853 5.491 -3.013 1.00 0.00 H new ATOM 0 HA SER A 53 6.011 4.751 -5.086 1.00 0.00 H new ATOM 0 HB2 SER A 53 6.773 2.473 -4.197 1.00 0.00 H new ATOM 0 HB3 SER A 53 7.984 3.498 -4.941 1.00 0.00 H new ATOM 0 HG SER A 53 8.723 2.595 -2.914 1.00 0.00 H new ATOM 787 N VAL A 54 4.054 3.881 -3.874 1.00 0.00 N ATOM 788 CA VAL A 54 2.813 3.665 -3.179 1.00 0.00 C ATOM 789 C VAL A 54 2.401 2.229 -3.312 1.00 0.00 C ATOM 790 O VAL A 54 2.042 1.759 -4.387 1.00 0.00 O ATOM 791 CB VAL A 54 1.680 4.632 -3.633 1.00 0.00 C ATOM 792 CG1 VAL A 54 0.427 4.404 -2.818 1.00 0.00 C ATOM 793 CG2 VAL A 54 2.132 6.076 -3.487 1.00 0.00 C ATOM 0 H VAL A 54 4.024 3.694 -4.876 1.00 0.00 H new ATOM 0 HA VAL A 54 2.983 3.892 -2.127 1.00 0.00 H new ATOM 0 HB VAL A 54 1.458 4.431 -4.681 1.00 0.00 H new ATOM 0 HG11 VAL A 54 -0.353 5.089 -3.150 1.00 0.00 H new ATOM 0 HG12 VAL A 54 0.088 3.377 -2.951 1.00 0.00 H new ATOM 0 HG13 VAL A 54 0.641 4.582 -1.764 1.00 0.00 H new ATOM 0 HG21 VAL A 54 1.331 6.742 -3.808 1.00 0.00 H new ATOM 0 HG22 VAL A 54 2.376 6.277 -2.444 1.00 0.00 H new ATOM 0 HG23 VAL A 54 3.014 6.245 -4.105 1.00 0.00 H new ATOM 803 N TRP A 55 2.515 1.541 -2.238 1.00 0.00 N ATOM 804 CA TRP A 55 2.206 0.161 -2.182 1.00 0.00 C ATOM 805 C TRP A 55 0.858 -0.050 -1.503 1.00 0.00 C ATOM 806 O TRP A 55 0.606 0.448 -0.413 1.00 0.00 O ATOM 807 CB TRP A 55 3.330 -0.618 -1.486 1.00 0.00 C ATOM 808 CG TRP A 55 4.675 -0.549 -2.182 1.00 0.00 C ATOM 809 CD1 TRP A 55 5.575 0.467 -2.118 1.00 0.00 C ATOM 810 CD2 TRP A 55 5.274 -1.553 -3.032 1.00 0.00 C ATOM 811 NE1 TRP A 55 6.696 0.156 -2.851 1.00 0.00 N ATOM 812 CE2 TRP A 55 6.531 -1.069 -3.427 1.00 0.00 C ATOM 813 CE3 TRP A 55 4.870 -2.806 -3.494 1.00 0.00 C ATOM 814 CZ2 TRP A 55 7.387 -1.796 -4.255 1.00 0.00 C ATOM 815 CZ3 TRP A 55 5.716 -3.523 -4.317 1.00 0.00 C ATOM 816 CH2 TRP A 55 6.962 -3.017 -4.687 1.00 0.00 C ATOM 0 H TRP A 55 2.834 1.931 -1.351 1.00 0.00 H new ATOM 0 HA TRP A 55 2.128 -0.228 -3.197 1.00 0.00 H new ATOM 0 HB2 TRP A 55 3.442 -0.238 -0.471 1.00 0.00 H new ATOM 0 HB3 TRP A 55 3.032 -1.663 -1.404 1.00 0.00 H new ATOM 0 HD1 TRP A 55 5.431 1.387 -1.570 1.00 0.00 H new ATOM 0 HE1 TRP A 55 7.521 0.748 -2.949 1.00 0.00 H new ATOM 0 HE3 TRP A 55 3.909 -3.210 -3.212 1.00 0.00 H new ATOM 0 HZ2 TRP A 55 8.352 -1.405 -4.543 1.00 0.00 H new ATOM 0 HZ3 TRP A 55 5.408 -4.492 -4.680 1.00 0.00 H new ATOM 0 HH2 TRP A 55 7.603 -3.604 -5.328 1.00 0.00 H new ATOM 827 N LEU A 56 0.002 -0.745 -2.179 1.00 0.00 N ATOM 828 CA LEU A 56 -1.318 -1.039 -1.692 1.00 0.00 C ATOM 829 C LEU A 56 -1.391 -2.450 -1.134 1.00 0.00 C ATOM 830 O LEU A 56 -1.124 -3.416 -1.841 1.00 0.00 O ATOM 831 CB LEU A 56 -2.365 -0.860 -2.786 1.00 0.00 C ATOM 832 CG LEU A 56 -3.771 -1.319 -2.403 1.00 0.00 C ATOM 833 CD1 LEU A 56 -4.739 -0.173 -2.363 1.00 0.00 C ATOM 834 CD2 LEU A 56 -4.242 -2.385 -3.339 1.00 0.00 C ATOM 0 H LEU A 56 0.198 -1.134 -3.101 1.00 0.00 H new ATOM 0 HA LEU A 56 -1.532 -0.332 -0.890 1.00 0.00 H new ATOM 0 HB2 LEU A 56 -2.404 0.193 -3.064 1.00 0.00 H new ATOM 0 HB3 LEU A 56 -2.045 -1.412 -3.670 1.00 0.00 H new ATOM 0 HG LEU A 56 -3.724 -1.734 -1.396 1.00 0.00 H new ATOM 0 HD11 LEU A 56 -5.727 -0.541 -2.087 1.00 0.00 H new ATOM 0 HD12 LEU A 56 -4.406 0.559 -1.627 1.00 0.00 H new ATOM 0 HD13 LEU A 56 -4.788 0.296 -3.346 1.00 0.00 H new ATOM 0 HD21 LEU A 56 -5.245 -2.702 -3.054 1.00 0.00 H new ATOM 0 HD22 LEU A 56 -4.261 -1.994 -4.356 1.00 0.00 H new ATOM 0 HD23 LEU A 56 -3.564 -3.237 -3.290 1.00 0.00 H new ATOM 846 N CYS A 57 -1.759 -2.545 0.123 1.00 0.00 N ATOM 847 CA CYS A 57 -1.934 -3.794 0.834 1.00 0.00 C ATOM 848 C CYS A 57 -3.005 -4.642 0.139 1.00 0.00 C ATOM 849 O CYS A 57 -4.166 -4.285 0.152 1.00 0.00 O ATOM 850 CB CYS A 57 -2.388 -3.453 2.265 1.00 0.00 C ATOM 851 SG CYS A 57 -2.474 -4.829 3.450 1.00 0.00 S ATOM 0 H CYS A 57 -1.952 -1.727 0.700 1.00 0.00 H new ATOM 0 HA CYS A 57 -1.003 -4.360 0.850 1.00 0.00 H new ATOM 0 HB2 CYS A 57 -1.708 -2.701 2.667 1.00 0.00 H new ATOM 0 HB3 CYS A 57 -3.374 -2.993 2.207 1.00 0.00 H new ATOM 856 N LEU A 58 -2.613 -5.782 -0.412 1.00 0.00 N ATOM 857 CA LEU A 58 -3.511 -6.707 -1.131 1.00 0.00 C ATOM 858 C LEU A 58 -4.391 -7.448 -0.168 1.00 0.00 C ATOM 859 O LEU A 58 -5.267 -8.229 -0.532 1.00 0.00 O ATOM 860 CB LEU A 58 -2.623 -7.648 -1.897 1.00 0.00 C ATOM 861 CG LEU A 58 -2.014 -7.031 -3.136 1.00 0.00 C ATOM 862 CD1 LEU A 58 -0.704 -7.666 -3.457 1.00 0.00 C ATOM 863 CD2 LEU A 58 -2.947 -7.263 -4.285 1.00 0.00 C ATOM 0 H LEU A 58 -1.646 -6.106 -0.377 1.00 0.00 H new ATOM 0 HA LEU A 58 -4.178 -6.170 -1.806 1.00 0.00 H new ATOM 0 HB2 LEU A 58 -1.823 -7.993 -1.242 1.00 0.00 H new ATOM 0 HB3 LEU A 58 -3.201 -8.526 -2.185 1.00 0.00 H new ATOM 0 HG LEU A 58 -1.856 -5.967 -2.961 1.00 0.00 H new ATOM 0 HD11 LEU A 58 -0.286 -7.205 -4.352 1.00 0.00 H new ATOM 0 HD12 LEU A 58 -0.017 -7.526 -2.622 1.00 0.00 H new ATOM 0 HD13 LEU A 58 -0.850 -8.732 -3.632 1.00 0.00 H new ATOM 0 HD21 LEU A 58 -2.526 -6.825 -5.190 1.00 0.00 H new ATOM 0 HD22 LEU A 58 -3.085 -8.334 -4.431 1.00 0.00 H new ATOM 0 HD23 LEU A 58 -3.910 -6.799 -4.071 1.00 0.00 H new ATOM 875 N LYS A 59 -4.124 -7.199 1.050 1.00 0.00 N ATOM 876 CA LYS A 59 -4.850 -7.751 2.120 1.00 0.00 C ATOM 877 C LYS A 59 -6.036 -6.847 2.558 1.00 0.00 C ATOM 878 O LYS A 59 -7.103 -7.340 2.920 1.00 0.00 O ATOM 879 CB LYS A 59 -3.902 -7.997 3.277 1.00 0.00 C ATOM 880 CG LYS A 59 -4.591 -8.497 4.489 1.00 0.00 C ATOM 881 CD LYS A 59 -5.063 -9.930 4.301 1.00 0.00 C ATOM 882 CE LYS A 59 -5.633 -10.517 5.570 1.00 0.00 C ATOM 883 NZ LYS A 59 -7.011 -10.018 5.881 1.00 0.00 N ATOM 0 H LYS A 59 -3.366 -6.582 1.342 1.00 0.00 H new ATOM 0 HA LYS A 59 -5.289 -8.693 1.791 1.00 0.00 H new ATOM 0 HB2 LYS A 59 -3.144 -8.719 2.972 1.00 0.00 H new ATOM 0 HB3 LYS A 59 -3.381 -7.070 3.517 1.00 0.00 H new ATOM 0 HG2 LYS A 59 -3.916 -8.443 5.343 1.00 0.00 H new ATOM 0 HG3 LYS A 59 -5.444 -7.857 4.716 1.00 0.00 H new ATOM 0 HD2 LYS A 59 -5.820 -9.961 3.517 1.00 0.00 H new ATOM 0 HD3 LYS A 59 -4.228 -10.544 3.962 1.00 0.00 H new ATOM 0 HE2 LYS A 59 -5.658 -11.603 5.482 1.00 0.00 H new ATOM 0 HE3 LYS A 59 -4.971 -10.280 6.403 1.00 0.00 H new ATOM 0 HZ1 LYS A 59 -7.308 -10.375 6.811 1.00 0.00 H new ATOM 0 HZ2 LYS A 59 -7.009 -8.978 5.894 1.00 0.00 H new ATOM 0 HZ3 LYS A 59 -7.674 -10.354 5.154 1.00 0.00 H new ATOM 897 N CYS A 60 -5.837 -5.542 2.581 1.00 0.00 N ATOM 898 CA CYS A 60 -6.929 -4.657 3.033 1.00 0.00 C ATOM 899 C CYS A 60 -7.134 -3.396 2.181 1.00 0.00 C ATOM 900 O CYS A 60 -7.938 -2.560 2.526 1.00 0.00 O ATOM 901 CB CYS A 60 -6.712 -4.257 4.474 1.00 0.00 C ATOM 902 SG CYS A 60 -5.394 -3.048 4.710 1.00 0.00 S ATOM 0 H CYS A 60 -4.973 -5.073 2.308 1.00 0.00 H new ATOM 0 HA CYS A 60 -7.838 -5.247 2.921 1.00 0.00 H new ATOM 0 HB2 CYS A 60 -7.641 -3.848 4.871 1.00 0.00 H new ATOM 0 HB3 CYS A 60 -6.482 -5.149 5.057 1.00 0.00 H new ATOM 907 N GLY A 61 -6.398 -3.251 1.128 1.00 0.00 N ATOM 908 CA GLY A 61 -6.561 -2.084 0.259 1.00 0.00 C ATOM 909 C GLY A 61 -5.964 -0.805 0.846 1.00 0.00 C ATOM 910 O GLY A 61 -6.312 0.288 0.449 1.00 0.00 O ATOM 0 H GLY A 61 -5.677 -3.909 0.832 1.00 0.00 H new ATOM 0 HA2 GLY A 61 -6.091 -2.288 -0.703 1.00 0.00 H new ATOM 0 HA3 GLY A 61 -7.623 -1.927 0.068 1.00 0.00 H new ATOM 914 N HIS A 62 -5.092 -0.962 1.799 1.00 0.00 N ATOM 915 CA HIS A 62 -4.417 0.159 2.437 1.00 0.00 C ATOM 916 C HIS A 62 -3.183 0.587 1.651 1.00 0.00 C ATOM 917 O HIS A 62 -2.257 -0.203 1.488 1.00 0.00 O ATOM 918 CB HIS A 62 -4.003 -0.242 3.854 1.00 0.00 C ATOM 919 CG HIS A 62 -3.226 0.786 4.611 1.00 0.00 C ATOM 920 ND1 HIS A 62 -1.853 0.908 4.551 1.00 0.00 N ATOM 921 CD2 HIS A 62 -3.647 1.726 5.470 1.00 0.00 C ATOM 922 CE1 HIS A 62 -1.496 1.894 5.361 1.00 0.00 C ATOM 923 NE2 HIS A 62 -2.552 2.428 5.946 1.00 0.00 N ATOM 0 H HIS A 62 -4.819 -1.873 2.167 1.00 0.00 H new ATOM 0 HA HIS A 62 -5.108 1.001 2.468 1.00 0.00 H new ATOM 0 HB2 HIS A 62 -4.901 -0.484 4.422 1.00 0.00 H new ATOM 0 HB3 HIS A 62 -3.407 -1.153 3.796 1.00 0.00 H new ATOM 0 HD1 HIS A 62 -1.224 0.340 3.984 1.00 0.00 H new ATOM 0 HD2 HIS A 62 -4.675 1.907 5.746 1.00 0.00 H new ATOM 0 HE1 HIS A 62 -0.478 2.217 5.521 1.00 0.00 H new ATOM 931 N GLN A 63 -3.168 1.814 1.176 1.00 0.00 N ATOM 932 CA GLN A 63 -1.981 2.329 0.536 1.00 0.00 C ATOM 933 C GLN A 63 -1.025 2.898 1.524 1.00 0.00 C ATOM 934 O GLN A 63 -1.386 3.674 2.417 1.00 0.00 O ATOM 935 CB GLN A 63 -2.212 3.357 -0.541 1.00 0.00 C ATOM 936 CG GLN A 63 -2.975 2.869 -1.701 1.00 0.00 C ATOM 937 CD GLN A 63 -4.440 3.196 -1.583 1.00 0.00 C ATOM 938 OE1 GLN A 63 -4.986 3.311 -0.486 1.00 0.00 O ATOM 939 NE2 GLN A 63 -5.089 3.329 -2.697 1.00 0.00 N ATOM 0 H GLN A 63 -3.953 2.464 1.220 1.00 0.00 H new ATOM 0 HA GLN A 63 -1.566 1.447 0.047 1.00 0.00 H new ATOM 0 HB2 GLN A 63 -2.740 4.206 -0.107 1.00 0.00 H new ATOM 0 HB3 GLN A 63 -1.246 3.725 -0.887 1.00 0.00 H new ATOM 0 HG2 GLN A 63 -2.575 3.314 -2.612 1.00 0.00 H new ATOM 0 HG3 GLN A 63 -2.849 1.790 -1.791 1.00 0.00 H new ATOM 0 HE21 GLN A 63 -4.601 3.226 -3.587 1.00 0.00 H new ATOM 0 HE22 GLN A 63 -6.088 3.536 -2.684 1.00 0.00 H new ATOM 948 N GLY A 64 0.147 2.489 1.368 1.00 0.00 N ATOM 949 CA GLY A 64 1.209 2.926 2.138 1.00 0.00 C ATOM 950 C GLY A 64 2.345 3.271 1.274 1.00 0.00 C ATOM 951 O GLY A 64 2.536 2.690 0.224 1.00 0.00 O ATOM 0 H GLY A 64 0.409 1.802 0.661 1.00 0.00 H new ATOM 0 HA2 GLY A 64 0.911 3.795 2.725 1.00 0.00 H new ATOM 0 HA3 GLY A 64 1.501 2.149 2.844 1.00 0.00 H new ATOM 955 N CYS A 65 3.075 4.227 1.683 1.00 0.00 N ATOM 956 CA CYS A 65 4.172 4.663 0.933 1.00 0.00 C ATOM 957 C CYS A 65 5.352 3.765 1.292 1.00 0.00 C ATOM 958 O CYS A 65 5.579 3.475 2.485 1.00 0.00 O ATOM 959 CB CYS A 65 4.384 6.162 1.163 1.00 0.00 C ATOM 960 SG CYS A 65 4.575 6.630 2.889 1.00 0.00 S ATOM 0 H CYS A 65 2.925 4.733 2.556 1.00 0.00 H new ATOM 0 HA CYS A 65 4.023 4.571 -0.143 1.00 0.00 H new ATOM 0 HB2 CYS A 65 5.270 6.480 0.613 1.00 0.00 H new ATOM 0 HB3 CYS A 65 3.537 6.705 0.744 1.00 0.00 H new ATOM 965 N GLY A 66 6.019 3.267 0.284 1.00 0.00 N ATOM 966 CA GLY A 66 7.017 2.249 0.470 1.00 0.00 C ATOM 967 C GLY A 66 8.397 2.744 0.786 1.00 0.00 C ATOM 968 O GLY A 66 8.575 3.760 1.449 1.00 0.00 O ATOM 0 H GLY A 66 5.886 3.555 -0.685 1.00 0.00 H new ATOM 0 HA2 GLY A 66 6.693 1.591 1.276 1.00 0.00 H new ATOM 0 HA3 GLY A 66 7.066 1.644 -0.435 1.00 0.00 H new ATOM 972 N ARG A 67 9.373 2.019 0.251 1.00 0.00 N ATOM 973 CA ARG A 67 10.826 2.191 0.524 1.00 0.00 C ATOM 974 C ARG A 67 11.316 3.589 0.220 1.00 0.00 C ATOM 975 O ARG A 67 12.284 4.057 0.798 1.00 0.00 O ATOM 976 CB ARG A 67 11.657 1.207 -0.325 1.00 0.00 C ATOM 977 CG ARG A 67 10.911 -0.039 -0.754 1.00 0.00 C ATOM 978 CD ARG A 67 11.811 -1.051 -1.444 1.00 0.00 C ATOM 979 NE ARG A 67 12.754 -1.702 -0.526 1.00 0.00 N ATOM 980 CZ ARG A 67 13.755 -2.520 -0.905 1.00 0.00 C ATOM 981 NH1 ARG A 67 14.058 -2.663 -2.204 1.00 0.00 N ATOM 982 NH2 ARG A 67 14.468 -3.166 0.011 1.00 0.00 N ATOM 0 H ARG A 67 9.185 1.265 -0.410 1.00 0.00 H new ATOM 0 HA ARG A 67 10.955 1.996 1.589 1.00 0.00 H new ATOM 0 HB2 ARG A 67 12.013 1.726 -1.215 1.00 0.00 H new ATOM 0 HB3 ARG A 67 12.538 0.910 0.245 1.00 0.00 H new ATOM 0 HG2 ARG A 67 10.453 -0.502 0.120 1.00 0.00 H new ATOM 0 HG3 ARG A 67 10.101 0.241 -1.428 1.00 0.00 H new ATOM 0 HD2 ARG A 67 11.193 -1.812 -1.921 1.00 0.00 H new ATOM 0 HD3 ARG A 67 12.370 -0.552 -2.236 1.00 0.00 H new ATOM 0 HE ARG A 67 12.643 -1.522 0.472 1.00 0.00 H new ATOM 0 HH11 ARG A 67 13.529 -2.151 -2.910 1.00 0.00 H new ATOM 0 HH12 ARG A 67 14.817 -3.284 -2.485 1.00 0.00 H new ATOM 0 HH21 ARG A 67 14.258 -3.043 1.001 1.00 0.00 H new ATOM 0 HH22 ARG A 67 15.226 -3.785 -0.276 1.00 0.00 H new ATOM 996 N ASN A 68 10.621 4.250 -0.643 1.00 0.00 N ATOM 997 CA ASN A 68 11.054 5.527 -1.155 1.00 0.00 C ATOM 998 C ASN A 68 10.510 6.668 -0.331 1.00 0.00 C ATOM 999 O ASN A 68 10.562 7.812 -0.759 1.00 0.00 O ATOM 1000 CB ASN A 68 10.580 5.706 -2.593 1.00 0.00 C ATOM 1001 CG ASN A 68 11.059 4.635 -3.565 1.00 0.00 C ATOM 1002 OD1 ASN A 68 11.268 3.471 -3.211 1.00 0.00 O ATOM 1003 ND2 ASN A 68 11.226 5.005 -4.782 1.00 0.00 N ATOM 0 H ASN A 68 9.731 3.927 -1.021 1.00 0.00 H new ATOM 0 HA ASN A 68 12.143 5.540 -1.108 1.00 0.00 H new ATOM 0 HB2 ASN A 68 9.490 5.722 -2.601 1.00 0.00 H new ATOM 0 HB3 ASN A 68 10.916 6.679 -2.952 1.00 0.00 H new ATOM 0 HD21 ASN A 68 11.538 4.331 -5.482 1.00 0.00 H new ATOM 0 HD22 ASN A 68 11.047 5.973 -5.050 1.00 0.00 H new ATOM 1010 N SER A 69 9.979 6.386 0.825 1.00 0.00 N ATOM 1011 CA SER A 69 9.443 7.445 1.612 1.00 0.00 C ATOM 1012 C SER A 69 10.277 7.669 2.858 1.00 0.00 C ATOM 1013 O SER A 69 11.170 6.869 3.177 1.00 0.00 O ATOM 1014 CB SER A 69 7.983 7.182 1.949 1.00 0.00 C ATOM 1015 OG SER A 69 7.817 5.980 2.671 1.00 0.00 O ATOM 0 H SER A 69 9.909 5.453 1.231 1.00 0.00 H new ATOM 0 HA SER A 69 9.483 8.363 1.026 1.00 0.00 H new ATOM 0 HB2 SER A 69 7.590 8.014 2.534 1.00 0.00 H new ATOM 0 HB3 SER A 69 7.401 7.136 1.029 1.00 0.00 H new ATOM 0 HG SER A 69 7.990 5.217 2.081 1.00 0.00 H new ATOM 1021 N GLN A 70 10.001 8.755 3.542 1.00 0.00 N ATOM 1022 CA GLN A 70 10.710 9.111 4.761 1.00 0.00 C ATOM 1023 C GLN A 70 10.223 8.277 5.949 1.00 0.00 C ATOM 1024 O GLN A 70 10.964 8.039 6.906 1.00 0.00 O ATOM 1025 CB GLN A 70 10.523 10.603 5.035 1.00 0.00 C ATOM 1026 CG GLN A 70 9.080 11.028 5.305 1.00 0.00 C ATOM 1027 CD GLN A 70 8.896 12.529 5.330 1.00 0.00 C ATOM 1028 OE1 GLN A 70 9.599 13.271 4.636 1.00 0.00 O ATOM 1029 NE2 GLN A 70 7.978 12.993 6.132 1.00 0.00 N ATOM 0 H GLN A 70 9.278 9.422 3.273 1.00 0.00 H new ATOM 0 HA GLN A 70 11.771 8.898 4.627 1.00 0.00 H new ATOM 0 HB2 GLN A 70 11.135 10.880 5.893 1.00 0.00 H new ATOM 0 HB3 GLN A 70 10.899 11.165 4.180 1.00 0.00 H new ATOM 0 HG2 GLN A 70 8.433 10.602 4.538 1.00 0.00 H new ATOM 0 HG3 GLN A 70 8.758 10.613 6.260 1.00 0.00 H new ATOM 0 HE21 GLN A 70 7.416 12.350 6.690 1.00 0.00 H new ATOM 0 HE22 GLN A 70 7.822 13.999 6.201 1.00 0.00 H new ATOM 1038 N GLU A 71 8.982 7.843 5.871 1.00 0.00 N ATOM 1039 CA GLU A 71 8.371 7.076 6.946 1.00 0.00 C ATOM 1040 C GLU A 71 8.258 5.611 6.636 1.00 0.00 C ATOM 1041 O GLU A 71 8.356 4.798 7.530 1.00 0.00 O ATOM 1042 CB GLU A 71 6.991 7.610 7.279 1.00 0.00 C ATOM 1043 CG GLU A 71 6.996 8.906 8.034 1.00 0.00 C ATOM 1044 CD GLU A 71 7.712 8.781 9.362 1.00 0.00 C ATOM 1045 OE1 GLU A 71 7.238 8.027 10.242 1.00 0.00 O ATOM 1046 OE2 GLU A 71 8.748 9.456 9.562 1.00 0.00 O ATOM 0 H GLU A 71 8.371 8.008 5.071 1.00 0.00 H new ATOM 0 HA GLU A 71 9.037 7.190 7.801 1.00 0.00 H new ATOM 0 HB2 GLU A 71 6.433 7.745 6.352 1.00 0.00 H new ATOM 0 HB3 GLU A 71 6.457 6.863 7.866 1.00 0.00 H new ATOM 0 HG2 GLU A 71 7.479 9.675 7.432 1.00 0.00 H new ATOM 0 HG3 GLU A 71 5.970 9.232 8.204 1.00 0.00 H new ATOM 1053 N GLN A 72 8.036 5.282 5.370 1.00 0.00 N ATOM 1054 CA GLN A 72 7.828 3.898 4.945 1.00 0.00 C ATOM 1055 C GLN A 72 6.621 3.295 5.647 1.00 0.00 C ATOM 1056 O GLN A 72 6.715 2.287 6.341 1.00 0.00 O ATOM 1057 CB GLN A 72 9.076 3.046 5.154 1.00 0.00 C ATOM 1058 CG GLN A 72 10.213 3.444 4.271 1.00 0.00 C ATOM 1059 CD GLN A 72 11.340 2.543 4.394 1.00 0.00 C ATOM 1060 OE1 GLN A 72 11.289 1.515 3.677 1.00 0.00 O flip ATOM 1061 NE2 GLN A 72 12.235 2.747 5.197 1.00 0.00 N flip ATOM 0 H GLN A 72 7.995 5.961 4.610 1.00 0.00 H new ATOM 0 HA GLN A 72 7.627 3.909 3.874 1.00 0.00 H new ATOM 0 HB2 GLN A 72 9.389 3.121 6.195 1.00 0.00 H new ATOM 0 HB3 GLN A 72 8.830 2.000 4.970 1.00 0.00 H new ATOM 0 HG2 GLN A 72 9.877 3.464 3.234 1.00 0.00 H new ATOM 0 HG3 GLN A 72 10.530 4.456 4.523 1.00 0.00 H new ATOM 0 HE21 GLN A 72 12.233 3.599 5.758 1.00 0.00 H new ATOM 0 HE22 GLN A 72 12.986 2.066 5.308 1.00 0.00 H new ATOM 1070 N HIS A 73 5.477 3.934 5.452 1.00 0.00 N ATOM 1071 CA HIS A 73 4.260 3.567 6.069 1.00 0.00 C ATOM 1072 C HIS A 73 3.805 2.164 5.700 1.00 0.00 C ATOM 1073 O HIS A 73 3.160 1.523 6.484 1.00 0.00 O ATOM 1074 CB HIS A 73 3.212 4.571 5.704 1.00 0.00 C ATOM 1075 CG HIS A 73 3.285 5.891 6.424 1.00 0.00 C ATOM 1076 ND1 HIS A 73 2.885 7.027 5.807 1.00 0.00 N ATOM 1077 CD2 HIS A 73 3.580 6.176 7.714 1.00 0.00 C ATOM 1078 CE1 HIS A 73 2.901 7.961 6.682 1.00 0.00 C ATOM 1079 NE2 HIS A 73 3.324 7.511 7.874 1.00 0.00 N ATOM 0 H HIS A 73 5.392 4.744 4.837 1.00 0.00 H new ATOM 0 HA HIS A 73 4.421 3.558 7.147 1.00 0.00 H new ATOM 0 HB2 HIS A 73 3.275 4.760 4.632 1.00 0.00 H new ATOM 0 HB3 HIS A 73 2.233 4.130 5.893 1.00 0.00 H new ATOM 0 HD2 HIS A 73 3.943 5.490 8.464 1.00 0.00 H new ATOM 0 HE1 HIS A 73 2.611 8.983 6.486 1.00 0.00 H new ATOM 0 HE2 HIS A 73 3.433 8.056 8.729 1.00 0.00 H new ATOM 1087 N ALA A 74 4.143 1.710 4.506 1.00 0.00 N ATOM 1088 CA ALA A 74 3.816 0.341 4.089 1.00 0.00 C ATOM 1089 C ALA A 74 4.594 -0.655 4.959 1.00 0.00 C ATOM 1090 O ALA A 74 4.043 -1.655 5.472 1.00 0.00 O ATOM 1091 CB ALA A 74 4.154 0.153 2.616 1.00 0.00 C ATOM 0 H ALA A 74 4.641 2.259 3.805 1.00 0.00 H new ATOM 0 HA ALA A 74 2.749 0.162 4.219 1.00 0.00 H new ATOM 0 HB1 ALA A 74 3.909 -0.865 2.313 1.00 0.00 H new ATOM 0 HB2 ALA A 74 3.577 0.858 2.017 1.00 0.00 H new ATOM 0 HB3 ALA A 74 5.218 0.331 2.461 1.00 0.00 H new ATOM 1097 N LEU A 75 5.832 -0.301 5.229 1.00 0.00 N ATOM 1098 CA LEU A 75 6.710 -1.117 6.031 1.00 0.00 C ATOM 1099 C LEU A 75 6.199 -1.094 7.457 1.00 0.00 C ATOM 1100 O LEU A 75 6.079 -2.132 8.100 1.00 0.00 O ATOM 1101 CB LEU A 75 8.177 -0.615 5.953 1.00 0.00 C ATOM 1102 CG LEU A 75 8.977 -0.860 4.635 1.00 0.00 C ATOM 1103 CD1 LEU A 75 9.210 -2.335 4.412 1.00 0.00 C ATOM 1104 CD2 LEU A 75 8.305 -0.244 3.403 1.00 0.00 C ATOM 0 H LEU A 75 6.257 0.564 4.896 1.00 0.00 H new ATOM 0 HA LEU A 75 6.711 -2.139 5.652 1.00 0.00 H new ATOM 0 HB2 LEU A 75 8.171 0.458 6.143 1.00 0.00 H new ATOM 0 HB3 LEU A 75 8.731 -1.080 6.769 1.00 0.00 H new ATOM 0 HG LEU A 75 9.935 -0.357 4.764 1.00 0.00 H new ATOM 0 HD11 LEU A 75 9.769 -2.479 3.488 1.00 0.00 H new ATOM 0 HD12 LEU A 75 9.778 -2.744 5.247 1.00 0.00 H new ATOM 0 HD13 LEU A 75 8.251 -2.848 4.340 1.00 0.00 H new ATOM 0 HD21 LEU A 75 8.909 -0.448 2.519 1.00 0.00 H new ATOM 0 HD22 LEU A 75 7.314 -0.679 3.274 1.00 0.00 H new ATOM 0 HD23 LEU A 75 8.214 0.834 3.539 1.00 0.00 H new ATOM 1116 N LYS A 76 5.877 0.099 7.951 1.00 0.00 N ATOM 1117 CA LYS A 76 5.269 0.248 9.261 1.00 0.00 C ATOM 1118 C LYS A 76 3.927 -0.465 9.373 1.00 0.00 C ATOM 1119 O LYS A 76 3.577 -0.948 10.434 1.00 0.00 O ATOM 1120 CB LYS A 76 5.140 1.720 9.631 1.00 0.00 C ATOM 1121 CG LYS A 76 6.476 2.364 9.754 1.00 0.00 C ATOM 1122 CD LYS A 76 6.400 3.789 10.248 1.00 0.00 C ATOM 1123 CE LYS A 76 7.798 4.272 10.460 1.00 0.00 C ATOM 1124 NZ LYS A 76 7.880 5.582 11.150 1.00 0.00 N ATOM 0 H LYS A 76 6.030 0.978 7.457 1.00 0.00 H new ATOM 0 HA LYS A 76 5.936 -0.235 9.976 1.00 0.00 H new ATOM 0 HB2 LYS A 76 4.552 2.238 8.873 1.00 0.00 H new ATOM 0 HB3 LYS A 76 4.600 1.815 10.573 1.00 0.00 H new ATOM 0 HG2 LYS A 76 7.093 1.781 10.437 1.00 0.00 H new ATOM 0 HG3 LYS A 76 6.972 2.347 8.784 1.00 0.00 H new ATOM 0 HD2 LYS A 76 5.884 4.418 9.523 1.00 0.00 H new ATOM 0 HD3 LYS A 76 5.832 3.842 11.177 1.00 0.00 H new ATOM 0 HE2 LYS A 76 8.344 3.530 11.042 1.00 0.00 H new ATOM 0 HE3 LYS A 76 8.296 4.349 9.494 1.00 0.00 H new ATOM 0 HZ1 LYS A 76 8.822 5.691 11.576 1.00 0.00 H new ATOM 0 HZ2 LYS A 76 7.720 6.347 10.464 1.00 0.00 H new ATOM 0 HZ3 LYS A 76 7.156 5.628 11.895 1.00 0.00 H new ATOM 1138 N HIS A 77 3.207 -0.576 8.267 1.00 0.00 N ATOM 1139 CA HIS A 77 1.913 -1.266 8.246 1.00 0.00 C ATOM 1140 C HIS A 77 2.151 -2.747 8.440 1.00 0.00 C ATOM 1141 O HIS A 77 1.346 -3.447 9.056 1.00 0.00 O ATOM 1142 CB HIS A 77 1.154 -0.974 6.942 1.00 0.00 C ATOM 1143 CG HIS A 77 -0.254 -1.533 6.831 1.00 0.00 C ATOM 1144 ND1 HIS A 77 -1.357 -0.893 7.335 1.00 0.00 N ATOM 1145 CD2 HIS A 77 -0.730 -2.650 6.191 1.00 0.00 C ATOM 1146 CE1 HIS A 77 -2.448 -1.598 6.999 1.00 0.00 C ATOM 1147 NE2 HIS A 77 -2.128 -2.674 6.297 1.00 0.00 N ATOM 0 H HIS A 77 3.493 -0.197 7.364 1.00 0.00 H new ATOM 0 HA HIS A 77 1.285 -0.899 9.058 1.00 0.00 H new ATOM 0 HB2 HIS A 77 1.102 0.107 6.814 1.00 0.00 H new ATOM 0 HB3 HIS A 77 1.742 -1.365 6.112 1.00 0.00 H new ATOM 0 HD1 HIS A 77 -1.349 -0.027 7.874 1.00 0.00 H new ATOM 0 HD2 HIS A 77 -0.126 -3.390 5.688 1.00 0.00 H new ATOM 0 HE1 HIS A 77 -3.458 -1.323 7.267 1.00 0.00 H new ATOM 1155 N TYR A 78 3.259 -3.215 7.923 1.00 0.00 N ATOM 1156 CA TYR A 78 3.667 -4.582 8.164 1.00 0.00 C ATOM 1157 C TYR A 78 4.159 -4.740 9.594 1.00 0.00 C ATOM 1158 O TYR A 78 3.924 -5.765 10.249 1.00 0.00 O ATOM 1159 CB TYR A 78 4.745 -5.000 7.189 1.00 0.00 C ATOM 1160 CG TYR A 78 5.304 -6.396 7.441 1.00 0.00 C ATOM 1161 CD1 TYR A 78 4.495 -7.522 7.347 1.00 0.00 C ATOM 1162 CD2 TYR A 78 6.643 -6.579 7.771 1.00 0.00 C ATOM 1163 CE1 TYR A 78 5.002 -8.788 7.578 1.00 0.00 C ATOM 1164 CE2 TYR A 78 7.157 -7.841 8.002 1.00 0.00 C ATOM 1165 CZ TYR A 78 6.330 -8.943 7.907 1.00 0.00 C ATOM 1166 OH TYR A 78 6.841 -10.207 8.127 1.00 0.00 O ATOM 0 H TYR A 78 3.894 -2.675 7.335 1.00 0.00 H new ATOM 0 HA TYR A 78 2.802 -5.229 8.016 1.00 0.00 H new ATOM 0 HB2 TYR A 78 4.341 -4.959 6.177 1.00 0.00 H new ATOM 0 HB3 TYR A 78 5.561 -4.279 7.235 1.00 0.00 H new ATOM 0 HD1 TYR A 78 3.453 -7.407 7.089 1.00 0.00 H new ATOM 0 HD2 TYR A 78 7.292 -5.720 7.848 1.00 0.00 H new ATOM 0 HE1 TYR A 78 4.358 -9.652 7.501 1.00 0.00 H new ATOM 0 HE2 TYR A 78 8.200 -7.965 8.255 1.00 0.00 H new ATOM 0 HH TYR A 78 7.793 -10.141 8.348 1.00 0.00 H new ATOM 1176 N LEU A 79 4.811 -3.716 10.109 1.00 0.00 N ATOM 1177 CA LEU A 79 5.337 -3.751 11.452 1.00 0.00 C ATOM 1178 C LEU A 79 4.264 -3.418 12.458 1.00 0.00 C ATOM 1179 O LEU A 79 4.514 -3.384 13.662 1.00 0.00 O ATOM 1180 CB LEU A 79 6.492 -2.762 11.587 1.00 0.00 C ATOM 1181 CG LEU A 79 7.648 -2.977 10.619 1.00 0.00 C ATOM 1182 CD1 LEU A 79 8.763 -1.992 10.885 1.00 0.00 C ATOM 1183 CD2 LEU A 79 8.140 -4.408 10.693 1.00 0.00 C ATOM 0 H LEU A 79 4.988 -2.844 9.610 1.00 0.00 H new ATOM 0 HA LEU A 79 5.698 -4.760 11.650 1.00 0.00 H new ATOM 0 HB2 LEU A 79 6.104 -1.753 11.445 1.00 0.00 H new ATOM 0 HB3 LEU A 79 6.877 -2.815 12.605 1.00 0.00 H new ATOM 0 HG LEU A 79 7.290 -2.798 9.605 1.00 0.00 H new ATOM 0 HD11 LEU A 79 9.577 -2.165 10.181 1.00 0.00 H new ATOM 0 HD12 LEU A 79 8.388 -0.976 10.763 1.00 0.00 H new ATOM 0 HD13 LEU A 79 9.129 -2.123 11.903 1.00 0.00 H new ATOM 0 HD21 LEU A 79 8.966 -4.545 9.995 1.00 0.00 H new ATOM 0 HD22 LEU A 79 8.481 -4.624 11.706 1.00 0.00 H new ATOM 0 HD23 LEU A 79 7.328 -5.086 10.431 1.00 0.00 H new ATOM 1195 N THR A 80 3.099 -3.133 11.975 1.00 0.00 N ATOM 1196 CA THR A 80 1.984 -2.890 12.857 1.00 0.00 C ATOM 1197 C THR A 80 1.499 -4.214 13.464 1.00 0.00 C ATOM 1198 O THR A 80 1.240 -5.175 12.734 1.00 0.00 O ATOM 1199 CB THR A 80 0.821 -2.187 12.129 1.00 0.00 C ATOM 1200 OG1 THR A 80 1.246 -0.891 11.677 1.00 0.00 O ATOM 1201 CG2 THR A 80 -0.391 -2.030 13.043 1.00 0.00 C ATOM 0 H THR A 80 2.886 -3.061 10.980 1.00 0.00 H new ATOM 0 HA THR A 80 2.327 -2.227 13.651 1.00 0.00 H new ATOM 0 HB THR A 80 0.533 -2.804 11.278 1.00 0.00 H new ATOM 0 HG1 THR A 80 2.186 -0.932 11.402 1.00 0.00 H new ATOM 0 HG21 THR A 80 -1.194 -1.531 12.500 1.00 0.00 H new ATOM 0 HG22 THR A 80 -0.730 -3.013 13.370 1.00 0.00 H new ATOM 0 HG23 THR A 80 -0.116 -1.434 13.913 1.00 0.00 H new ATOM 1209 N PRO A 81 1.423 -4.306 14.797 1.00 0.00 N ATOM 1210 CA PRO A 81 0.936 -5.488 15.445 1.00 0.00 C ATOM 1211 C PRO A 81 -0.561 -5.642 15.273 1.00 0.00 C ATOM 1212 O PRO A 81 -1.374 -4.764 15.613 1.00 0.00 O ATOM 1213 CB PRO A 81 1.301 -5.307 16.890 1.00 0.00 C ATOM 1214 CG PRO A 81 1.338 -3.851 17.071 1.00 0.00 C ATOM 1215 CD PRO A 81 1.815 -3.273 15.773 1.00 0.00 C ATOM 0 HA PRO A 81 1.371 -6.393 15.020 1.00 0.00 H new ATOM 0 HB2 PRO A 81 0.567 -5.772 17.548 1.00 0.00 H new ATOM 0 HB3 PRO A 81 2.265 -5.761 17.117 1.00 0.00 H new ATOM 0 HG2 PRO A 81 0.351 -3.467 17.327 1.00 0.00 H new ATOM 0 HG3 PRO A 81 2.008 -3.578 17.887 1.00 0.00 H new ATOM 0 HD2 PRO A 81 1.344 -2.314 15.559 1.00 0.00 H new ATOM 0 HD3 PRO A 81 2.892 -3.106 15.775 1.00 0.00 H new ATOM 1223 N ARG A 82 -0.880 -6.725 14.716 1.00 0.00 N ATOM 1224 CA ARG A 82 -2.227 -7.133 14.403 1.00 0.00 C ATOM 1225 C ARG A 82 -2.286 -8.641 14.336 1.00 0.00 C ATOM 1226 O ARG A 82 -1.232 -9.297 14.313 1.00 0.00 O ATOM 1227 CB ARG A 82 -2.730 -6.477 13.099 1.00 0.00 C ATOM 1228 CG ARG A 82 -1.714 -6.439 11.972 1.00 0.00 C ATOM 1229 CD ARG A 82 -2.315 -5.887 10.692 1.00 0.00 C ATOM 1230 NE ARG A 82 -2.941 -4.555 10.896 1.00 0.00 N ATOM 1231 CZ ARG A 82 -2.496 -3.374 10.430 1.00 0.00 C ATOM 1232 NH1 ARG A 82 -1.331 -3.285 9.804 1.00 0.00 N ATOM 1233 NH2 ARG A 82 -3.213 -2.267 10.627 1.00 0.00 N ATOM 0 H ARG A 82 -0.184 -7.416 14.436 1.00 0.00 H new ATOM 0 HA ARG A 82 -2.896 -6.792 15.193 1.00 0.00 H new ATOM 0 HB2 ARG A 82 -3.613 -7.016 12.755 1.00 0.00 H new ATOM 0 HB3 ARG A 82 -3.045 -5.457 13.320 1.00 0.00 H new ATOM 0 HG2 ARG A 82 -0.864 -5.825 12.269 1.00 0.00 H new ATOM 0 HG3 ARG A 82 -1.333 -7.444 11.791 1.00 0.00 H new ATOM 0 HD2 ARG A 82 -1.538 -5.809 9.932 1.00 0.00 H new ATOM 0 HD3 ARG A 82 -3.063 -6.584 10.313 1.00 0.00 H new ATOM 0 HE ARG A 82 -3.799 -4.534 11.448 1.00 0.00 H new ATOM 0 HH11 ARG A 82 -0.759 -4.119 9.670 1.00 0.00 H new ATOM 0 HH12 ARG A 82 -1.007 -2.383 9.456 1.00 0.00 H new ATOM 0 HH21 ARG A 82 -4.099 -2.316 11.131 1.00 0.00 H new ATOM 0 HH22 ARG A 82 -2.876 -1.371 10.274 1.00 0.00 H new ATOM 1247 N SER A 83 -3.473 -9.197 14.331 1.00 0.00 N ATOM 1248 CA SER A 83 -3.643 -10.638 14.296 1.00 0.00 C ATOM 1249 C SER A 83 -3.358 -11.194 12.897 1.00 0.00 C ATOM 1250 O SER A 83 -3.052 -12.374 12.727 1.00 0.00 O ATOM 1251 CB SER A 83 -5.062 -10.982 14.731 1.00 0.00 C ATOM 1252 OG SER A 83 -5.347 -10.400 15.999 1.00 0.00 O ATOM 0 H SER A 83 -4.347 -8.671 14.351 1.00 0.00 H new ATOM 0 HA SER A 83 -2.930 -11.097 14.981 1.00 0.00 H new ATOM 0 HB2 SER A 83 -5.774 -10.620 13.989 1.00 0.00 H new ATOM 0 HB3 SER A 83 -5.180 -12.064 14.786 1.00 0.00 H new ATOM 0 HG SER A 83 -6.262 -10.628 16.265 1.00 0.00 H new ATOM 1258 N GLU A 84 -3.443 -10.338 11.909 1.00 0.00 N ATOM 1259 CA GLU A 84 -3.218 -10.735 10.547 1.00 0.00 C ATOM 1260 C GLU A 84 -1.865 -10.206 10.080 1.00 0.00 C ATOM 1261 O GLU A 84 -1.358 -9.238 10.651 1.00 0.00 O ATOM 1262 CB GLU A 84 -4.308 -10.172 9.677 1.00 0.00 C ATOM 1263 CG GLU A 84 -5.705 -10.521 10.106 1.00 0.00 C ATOM 1264 CD GLU A 84 -6.698 -9.930 9.170 1.00 0.00 C ATOM 1265 OE1 GLU A 84 -6.795 -8.690 9.097 1.00 0.00 O ATOM 1266 OE2 GLU A 84 -7.341 -10.682 8.423 1.00 0.00 O ATOM 0 H GLU A 84 -3.669 -9.351 12.028 1.00 0.00 H new ATOM 0 HA GLU A 84 -3.224 -11.823 10.478 1.00 0.00 H new ATOM 0 HB2 GLU A 84 -4.211 -9.087 9.655 1.00 0.00 H new ATOM 0 HB3 GLU A 84 -4.158 -10.526 8.657 1.00 0.00 H new ATOM 0 HG2 GLU A 84 -5.823 -11.604 10.135 1.00 0.00 H new ATOM 0 HG3 GLU A 84 -5.884 -10.153 11.116 1.00 0.00 H new ATOM 1273 N PRO A 85 -1.256 -10.809 9.046 1.00 0.00 N ATOM 1274 CA PRO A 85 0.046 -10.370 8.565 1.00 0.00 C ATOM 1275 C PRO A 85 -0.011 -9.050 7.778 1.00 0.00 C ATOM 1276 O PRO A 85 0.708 -8.109 8.099 1.00 0.00 O ATOM 1277 CB PRO A 85 0.517 -11.529 7.682 1.00 0.00 C ATOM 1278 CG PRO A 85 -0.737 -12.185 7.210 1.00 0.00 C ATOM 1279 CD PRO A 85 -1.758 -11.988 8.298 1.00 0.00 C ATOM 0 HA PRO A 85 0.725 -10.152 9.390 1.00 0.00 H new ATOM 0 HB2 PRO A 85 1.115 -11.170 6.844 1.00 0.00 H new ATOM 0 HB3 PRO A 85 1.140 -12.225 8.243 1.00 0.00 H new ATOM 0 HG2 PRO A 85 -1.078 -11.743 6.274 1.00 0.00 H new ATOM 0 HG3 PRO A 85 -0.572 -13.246 7.020 1.00 0.00 H new ATOM 0 HD2 PRO A 85 -2.751 -11.807 7.887 1.00 0.00 H new ATOM 0 HD3 PRO A 85 -1.834 -12.866 8.939 1.00 0.00 H new ATOM 1287 N HIS A 86 -0.920 -8.985 6.770 1.00 0.00 N ATOM 1288 CA HIS A 86 -1.049 -7.820 5.863 1.00 0.00 C ATOM 1289 C HIS A 86 0.266 -7.538 5.184 1.00 0.00 C ATOM 1290 O HIS A 86 0.614 -6.398 4.930 1.00 0.00 O ATOM 1291 CB HIS A 86 -1.546 -6.579 6.618 1.00 0.00 C ATOM 1292 CG HIS A 86 -2.970 -6.659 7.012 1.00 0.00 C ATOM 1293 ND1 HIS A 86 -3.859 -5.724 6.611 1.00 0.00 N ATOM 1294 CD2 HIS A 86 -3.603 -7.589 7.750 1.00 0.00 C ATOM 1295 CE1 HIS A 86 -5.030 -6.092 7.111 1.00 0.00 C ATOM 1296 NE2 HIS A 86 -4.913 -7.225 7.813 1.00 0.00 N ATOM 0 H HIS A 86 -1.580 -9.736 6.566 1.00 0.00 H new ATOM 0 HA HIS A 86 -1.790 -8.064 5.102 1.00 0.00 H new ATOM 0 HB2 HIS A 86 -0.937 -6.439 7.511 1.00 0.00 H new ATOM 0 HB3 HIS A 86 -1.399 -5.699 5.991 1.00 0.00 H new ATOM 0 HD2 HIS A 86 -3.156 -8.460 8.206 1.00 0.00 H new ATOM 0 HE1 HIS A 86 -5.954 -5.550 6.971 1.00 0.00 H new ATOM 0 HE2 HIS A 86 -5.660 -7.720 8.300 1.00 0.00 H new ATOM 1304 N CYS A 87 0.903 -8.595 4.771 1.00 0.00 N ATOM 1305 CA CYS A 87 2.270 -8.520 4.301 1.00 0.00 C ATOM 1306 C CYS A 87 2.371 -8.434 2.809 1.00 0.00 C ATOM 1307 O CYS A 87 3.466 -8.590 2.238 1.00 0.00 O ATOM 1308 CB CYS A 87 3.008 -9.760 4.764 1.00 0.00 C ATOM 1309 SG CYS A 87 2.138 -11.309 4.408 1.00 0.00 S ATOM 0 H CYS A 87 0.499 -9.531 4.747 1.00 0.00 H new ATOM 0 HA CYS A 87 2.707 -7.609 4.711 1.00 0.00 H new ATOM 0 HB2 CYS A 87 3.988 -9.787 4.287 1.00 0.00 H new ATOM 0 HB3 CYS A 87 3.179 -9.689 5.838 1.00 0.00 H new ATOM 0 HG CYS A 87 2.733 -12.291 5.018 1.00 0.00 H new ATOM 1315 N LEU A 88 1.256 -8.225 2.183 1.00 0.00 N ATOM 1316 CA LEU A 88 1.173 -8.205 0.751 1.00 0.00 C ATOM 1317 C LEU A 88 0.769 -6.889 0.294 1.00 0.00 C ATOM 1318 O LEU A 88 -0.263 -6.377 0.703 1.00 0.00 O ATOM 1319 CB LEU A 88 0.258 -9.290 0.204 1.00 0.00 C ATOM 1320 CG LEU A 88 0.763 -10.688 0.403 1.00 0.00 C ATOM 1321 CD1 LEU A 88 0.081 -11.665 -0.478 1.00 0.00 C ATOM 1322 CD2 LEU A 88 2.220 -10.780 0.192 1.00 0.00 C ATOM 0 H LEU A 88 0.366 -8.061 2.654 1.00 0.00 H new ATOM 0 HA LEU A 88 2.167 -8.423 0.360 1.00 0.00 H new ATOM 0 HB2 LEU A 88 -0.718 -9.199 0.680 1.00 0.00 H new ATOM 0 HB3 LEU A 88 0.110 -9.119 -0.862 1.00 0.00 H new ATOM 0 HG LEU A 88 0.536 -10.939 1.439 1.00 0.00 H new ATOM 0 HD11 LEU A 88 0.482 -12.662 -0.295 1.00 0.00 H new ATOM 0 HD12 LEU A 88 -0.988 -11.660 -0.267 1.00 0.00 H new ATOM 0 HD13 LEU A 88 0.247 -11.393 -1.520 1.00 0.00 H new ATOM 0 HD21 LEU A 88 2.546 -11.809 0.346 1.00 0.00 H new ATOM 0 HD22 LEU A 88 2.461 -10.471 -0.825 1.00 0.00 H new ATOM 0 HD23 LEU A 88 2.732 -10.128 0.900 1.00 0.00 H new ATOM 1334 N VAL A 89 1.591 -6.324 -0.531 1.00 0.00 N ATOM 1335 CA VAL A 89 1.328 -5.035 -1.089 1.00 0.00 C ATOM 1336 C VAL A 89 1.671 -5.062 -2.565 1.00 0.00 C ATOM 1337 O VAL A 89 2.548 -5.800 -2.978 1.00 0.00 O ATOM 1338 CB VAL A 89 2.159 -3.910 -0.399 1.00 0.00 C ATOM 1339 CG1 VAL A 89 1.838 -3.777 1.076 1.00 0.00 C ATOM 1340 CG2 VAL A 89 3.638 -4.141 -0.588 1.00 0.00 C ATOM 0 H VAL A 89 2.468 -6.745 -0.839 1.00 0.00 H new ATOM 0 HA VAL A 89 0.273 -4.813 -0.931 1.00 0.00 H new ATOM 0 HB VAL A 89 1.879 -2.974 -0.882 1.00 0.00 H new ATOM 0 HG11 VAL A 89 2.443 -2.981 1.510 1.00 0.00 H new ATOM 0 HG12 VAL A 89 0.782 -3.538 1.198 1.00 0.00 H new ATOM 0 HG13 VAL A 89 2.058 -4.717 1.582 1.00 0.00 H new ATOM 0 HG21 VAL A 89 4.196 -3.343 -0.098 1.00 0.00 H new ATOM 0 HG22 VAL A 89 3.915 -5.100 -0.150 1.00 0.00 H new ATOM 0 HG23 VAL A 89 3.872 -4.147 -1.653 1.00 0.00 H new ATOM 1350 N LEU A 90 0.939 -4.359 -3.355 1.00 0.00 N ATOM 1351 CA LEU A 90 1.273 -4.220 -4.738 1.00 0.00 C ATOM 1352 C LEU A 90 1.726 -2.807 -4.958 1.00 0.00 C ATOM 1353 O LEU A 90 1.331 -1.914 -4.235 1.00 0.00 O ATOM 1354 CB LEU A 90 0.072 -4.602 -5.647 1.00 0.00 C ATOM 1355 CG LEU A 90 -1.063 -3.594 -5.779 1.00 0.00 C ATOM 1356 CD1 LEU A 90 -0.762 -2.595 -6.863 1.00 0.00 C ATOM 1357 CD2 LEU A 90 -2.387 -4.263 -6.034 1.00 0.00 C ATOM 0 H LEU A 90 0.095 -3.864 -3.068 1.00 0.00 H new ATOM 0 HA LEU A 90 2.078 -4.904 -5.007 1.00 0.00 H new ATOM 0 HB2 LEU A 90 0.458 -4.805 -6.646 1.00 0.00 H new ATOM 0 HB3 LEU A 90 -0.349 -5.535 -5.272 1.00 0.00 H new ATOM 0 HG LEU A 90 -1.140 -3.070 -4.826 1.00 0.00 H new ATOM 0 HD11 LEU A 90 -1.585 -1.884 -6.941 1.00 0.00 H new ATOM 0 HD12 LEU A 90 0.157 -2.061 -6.621 1.00 0.00 H new ATOM 0 HD13 LEU A 90 -0.640 -3.115 -7.813 1.00 0.00 H new ATOM 0 HD21 LEU A 90 -3.166 -3.506 -6.121 1.00 0.00 H new ATOM 0 HD22 LEU A 90 -2.333 -4.836 -6.960 1.00 0.00 H new ATOM 0 HD23 LEU A 90 -2.622 -4.932 -5.206 1.00 0.00 H new ATOM 1369 N SER A 91 2.523 -2.597 -5.920 1.00 0.00 N ATOM 1370 CA SER A 91 3.050 -1.292 -6.168 1.00 0.00 C ATOM 1371 C SER A 91 2.179 -0.543 -7.172 1.00 0.00 C ATOM 1372 O SER A 91 1.815 -1.097 -8.209 1.00 0.00 O ATOM 1373 CB SER A 91 4.446 -1.443 -6.757 1.00 0.00 C ATOM 1374 OG SER A 91 4.367 -1.896 -8.079 1.00 0.00 O ATOM 0 H SER A 91 2.841 -3.316 -6.570 1.00 0.00 H new ATOM 0 HA SER A 91 3.075 -0.732 -5.233 1.00 0.00 H new ATOM 0 HB2 SER A 91 4.968 -0.487 -6.723 1.00 0.00 H new ATOM 0 HB3 SER A 91 5.027 -2.145 -6.159 1.00 0.00 H new ATOM 0 HG SER A 91 3.429 -1.920 -8.361 1.00 0.00 H new ATOM 1380 N LEU A 92 1.911 0.699 -6.909 1.00 0.00 N ATOM 1381 CA LEU A 92 1.209 1.566 -7.848 1.00 0.00 C ATOM 1382 C LEU A 92 2.222 2.243 -8.767 1.00 0.00 C ATOM 1383 O LEU A 92 1.919 3.200 -9.484 1.00 0.00 O ATOM 1384 CB LEU A 92 0.388 2.596 -7.072 1.00 0.00 C ATOM 1385 CG LEU A 92 -0.836 2.018 -6.371 1.00 0.00 C ATOM 1386 CD1 LEU A 92 -1.418 2.993 -5.394 1.00 0.00 C ATOM 1387 CD2 LEU A 92 -1.875 1.693 -7.394 1.00 0.00 C ATOM 0 H LEU A 92 2.169 1.157 -6.035 1.00 0.00 H new ATOM 0 HA LEU A 92 0.527 0.980 -8.464 1.00 0.00 H new ATOM 0 HB2 LEU A 92 1.029 3.070 -6.328 1.00 0.00 H new ATOM 0 HB3 LEU A 92 0.064 3.378 -7.759 1.00 0.00 H new ATOM 0 HG LEU A 92 -0.527 1.124 -5.829 1.00 0.00 H new ATOM 0 HD11 LEU A 92 -2.289 2.549 -4.912 1.00 0.00 H new ATOM 0 HD12 LEU A 92 -0.672 3.240 -4.639 1.00 0.00 H new ATOM 0 HD13 LEU A 92 -1.717 3.900 -5.919 1.00 0.00 H new ATOM 0 HD21 LEU A 92 -2.754 1.279 -6.901 1.00 0.00 H new ATOM 0 HD22 LEU A 92 -2.153 2.600 -7.931 1.00 0.00 H new ATOM 0 HD23 LEU A 92 -1.476 0.963 -8.098 1.00 0.00 H new ATOM 1399 N ASP A 93 3.408 1.690 -8.768 1.00 0.00 N ATOM 1400 CA ASP A 93 4.524 2.211 -9.513 1.00 0.00 C ATOM 1401 C ASP A 93 4.849 1.303 -10.671 1.00 0.00 C ATOM 1402 O ASP A 93 4.679 1.667 -11.830 1.00 0.00 O ATOM 1403 CB ASP A 93 5.764 2.372 -8.602 1.00 0.00 C ATOM 1404 CG ASP A 93 5.629 3.475 -7.566 1.00 0.00 C ATOM 1405 OD1 ASP A 93 4.918 3.285 -6.551 1.00 0.00 O ATOM 1406 OD2 ASP A 93 6.223 4.571 -7.763 1.00 0.00 O ATOM 0 H ASP A 93 3.629 0.846 -8.239 1.00 0.00 H new ATOM 0 HA ASP A 93 4.248 3.192 -9.899 1.00 0.00 H new ATOM 0 HB2 ASP A 93 5.952 1.428 -8.091 1.00 0.00 H new ATOM 0 HB3 ASP A 93 6.635 2.576 -9.224 1.00 0.00 H new ATOM 1411 N ASN A 94 5.255 0.093 -10.362 1.00 0.00 N ATOM 1412 CA ASN A 94 5.665 -0.848 -11.405 1.00 0.00 C ATOM 1413 C ASN A 94 4.585 -1.859 -11.613 1.00 0.00 C ATOM 1414 O ASN A 94 4.627 -2.642 -12.552 1.00 0.00 O ATOM 1415 CB ASN A 94 6.949 -1.601 -11.012 1.00 0.00 C ATOM 1416 CG ASN A 94 8.173 -0.726 -10.823 1.00 0.00 C ATOM 1417 OD1 ASN A 94 8.323 0.322 -11.438 1.00 0.00 O ATOM 1418 ND2 ASN A 94 9.067 -1.165 -9.986 1.00 0.00 N ATOM 0 H ASN A 94 5.314 -0.270 -9.411 1.00 0.00 H new ATOM 0 HA ASN A 94 5.850 -0.275 -12.313 1.00 0.00 H new ATOM 0 HB2 ASN A 94 6.764 -2.146 -10.086 1.00 0.00 H new ATOM 0 HB3 ASN A 94 7.167 -2.343 -11.780 1.00 0.00 H new ATOM 0 HD21 ASN A 94 9.922 -0.632 -9.827 1.00 0.00 H new ATOM 0 HD22 ASN A 94 8.913 -2.042 -9.489 1.00 0.00 H new ATOM 1425 N TRP A 95 3.592 -1.800 -10.744 1.00 0.00 N ATOM 1426 CA TRP A 95 2.544 -2.794 -10.670 1.00 0.00 C ATOM 1427 C TRP A 95 3.134 -4.180 -10.421 1.00 0.00 C ATOM 1428 O TRP A 95 3.011 -5.082 -11.248 1.00 0.00 O ATOM 1429 CB TRP A 95 1.579 -2.764 -11.876 1.00 0.00 C ATOM 1430 CG TRP A 95 0.727 -1.524 -11.927 1.00 0.00 C ATOM 1431 CD1 TRP A 95 0.958 -0.389 -12.645 1.00 0.00 C ATOM 1432 CD2 TRP A 95 -0.499 -1.303 -11.218 1.00 0.00 C ATOM 1433 NE1 TRP A 95 -0.045 0.520 -12.424 1.00 0.00 N ATOM 1434 CE2 TRP A 95 -0.949 -0.016 -11.554 1.00 0.00 C ATOM 1435 CE3 TRP A 95 -1.257 -2.071 -10.332 1.00 0.00 C ATOM 1436 CZ2 TRP A 95 -2.124 0.522 -11.037 1.00 0.00 C ATOM 1437 CZ3 TRP A 95 -2.423 -1.536 -9.820 1.00 0.00 C ATOM 1438 CH2 TRP A 95 -2.845 -0.253 -10.174 1.00 0.00 C ATOM 0 H TRP A 95 3.492 -1.048 -10.062 1.00 0.00 H new ATOM 0 HA TRP A 95 1.921 -2.536 -9.813 1.00 0.00 H new ATOM 0 HB2 TRP A 95 2.157 -2.837 -12.797 1.00 0.00 H new ATOM 0 HB3 TRP A 95 0.931 -3.640 -11.836 1.00 0.00 H new ATOM 0 HD1 TRP A 95 1.807 -0.229 -13.293 1.00 0.00 H new ATOM 0 HE1 TRP A 95 -0.105 1.448 -12.843 1.00 0.00 H new ATOM 0 HE3 TRP A 95 -0.938 -3.064 -10.052 1.00 0.00 H new ATOM 0 HZ2 TRP A 95 -2.453 1.514 -11.308 1.00 0.00 H new ATOM 0 HZ3 TRP A 95 -3.019 -2.120 -9.134 1.00 0.00 H new ATOM 0 HH2 TRP A 95 -3.762 0.135 -9.756 1.00 0.00 H new ATOM 1449 N SER A 96 3.890 -4.283 -9.333 1.00 0.00 N ATOM 1450 CA SER A 96 4.437 -5.530 -8.886 1.00 0.00 C ATOM 1451 C SER A 96 3.786 -5.857 -7.582 1.00 0.00 C ATOM 1452 O SER A 96 3.030 -5.043 -7.049 1.00 0.00 O ATOM 1453 CB SER A 96 5.913 -5.386 -8.609 1.00 0.00 C ATOM 1454 OG SER A 96 6.584 -4.737 -9.673 1.00 0.00 O ATOM 0 H SER A 96 4.134 -3.489 -8.741 1.00 0.00 H new ATOM 0 HA SER A 96 4.273 -6.293 -9.647 1.00 0.00 H new ATOM 0 HB2 SER A 96 6.057 -4.820 -7.689 1.00 0.00 H new ATOM 0 HB3 SER A 96 6.351 -6.371 -8.449 1.00 0.00 H new ATOM 0 HG SER A 96 7.537 -4.659 -9.459 1.00 0.00 H new ATOM 1460 N VAL A 97 4.087 -6.996 -7.059 1.00 0.00 N ATOM 1461 CA VAL A 97 3.643 -7.361 -5.759 1.00 0.00 C ATOM 1462 C VAL A 97 4.867 -7.543 -4.882 1.00 0.00 C ATOM 1463 O VAL A 97 5.908 -7.939 -5.373 1.00 0.00 O ATOM 1464 CB VAL A 97 2.795 -8.649 -5.807 1.00 0.00 C ATOM 1465 CG1 VAL A 97 2.568 -9.199 -4.455 1.00 0.00 C ATOM 1466 CG2 VAL A 97 1.460 -8.370 -6.397 1.00 0.00 C ATOM 0 H VAL A 97 4.653 -7.705 -7.526 1.00 0.00 H new ATOM 0 HA VAL A 97 3.005 -6.579 -5.347 1.00 0.00 H new ATOM 0 HB VAL A 97 3.349 -9.366 -6.413 1.00 0.00 H new ATOM 0 HG11 VAL A 97 1.967 -10.106 -4.527 1.00 0.00 H new ATOM 0 HG12 VAL A 97 3.526 -9.435 -3.992 1.00 0.00 H new ATOM 0 HG13 VAL A 97 2.043 -8.463 -3.846 1.00 0.00 H new ATOM 0 HG21 VAL A 97 0.875 -9.289 -6.423 1.00 0.00 H new ATOM 0 HG22 VAL A 97 0.942 -7.627 -5.790 1.00 0.00 H new ATOM 0 HG23 VAL A 97 1.583 -7.989 -7.411 1.00 0.00 H new ATOM 1476 N TRP A 98 4.763 -7.206 -3.638 1.00 0.00 N ATOM 1477 CA TRP A 98 5.828 -7.408 -2.719 1.00 0.00 C ATOM 1478 C TRP A 98 5.283 -8.193 -1.555 1.00 0.00 C ATOM 1479 O TRP A 98 4.135 -7.919 -1.086 1.00 0.00 O ATOM 1480 CB TRP A 98 6.419 -6.097 -2.214 1.00 0.00 C ATOM 1481 CG TRP A 98 7.709 -6.324 -1.526 1.00 0.00 C ATOM 1482 CD1 TRP A 98 7.909 -6.511 -0.194 1.00 0.00 C ATOM 1483 CD2 TRP A 98 8.981 -6.443 -2.147 1.00 0.00 C ATOM 1484 NE1 TRP A 98 9.224 -6.753 0.046 1.00 0.00 N ATOM 1485 CE2 TRP A 98 9.906 -6.711 -1.135 1.00 0.00 C ATOM 1486 CE3 TRP A 98 9.427 -6.349 -3.469 1.00 0.00 C ATOM 1487 CZ2 TRP A 98 11.244 -6.894 -1.390 1.00 0.00 C ATOM 1488 CZ3 TRP A 98 10.765 -6.527 -3.729 1.00 0.00 C ATOM 1489 CH2 TRP A 98 11.666 -6.802 -2.693 1.00 0.00 C ATOM 0 H TRP A 98 3.930 -6.780 -3.231 1.00 0.00 H new ATOM 0 HA TRP A 98 6.631 -7.942 -3.227 1.00 0.00 H new ATOM 0 HB2 TRP A 98 6.565 -5.414 -3.051 1.00 0.00 H new ATOM 0 HB3 TRP A 98 5.718 -5.618 -1.530 1.00 0.00 H new ATOM 0 HD1 TRP A 98 7.137 -6.473 0.561 1.00 0.00 H new ATOM 0 HE1 TRP A 98 9.635 -6.936 0.961 1.00 0.00 H new ATOM 0 HE3 TRP A 98 8.734 -6.141 -4.270 1.00 0.00 H new ATOM 0 HZ2 TRP A 98 11.940 -7.103 -0.592 1.00 0.00 H new ATOM 0 HZ3 TRP A 98 11.126 -6.454 -4.744 1.00 0.00 H new ATOM 0 HH2 TRP A 98 12.712 -6.944 -2.923 1.00 0.00 H new ATOM 1500 N CYS A 99 6.054 -9.177 -1.091 1.00 0.00 N ATOM 1501 CA CYS A 99 5.652 -9.934 0.063 1.00 0.00 C ATOM 1502 C CYS A 99 6.703 -9.787 1.088 1.00 0.00 C ATOM 1503 O CYS A 99 7.814 -10.241 0.892 1.00 0.00 O ATOM 1504 CB CYS A 99 5.408 -11.418 -0.258 1.00 0.00 C ATOM 1505 SG CYS A 99 5.048 -12.455 1.177 1.00 0.00 S ATOM 0 H CYS A 99 6.946 -9.455 -1.500 1.00 0.00 H new ATOM 0 HA CYS A 99 4.700 -9.547 0.425 1.00 0.00 H new ATOM 0 HB2 CYS A 99 4.577 -11.492 -0.959 1.00 0.00 H new ATOM 0 HB3 CYS A 99 6.288 -11.815 -0.764 1.00 0.00 H new ATOM 1510 N TYR A 100 6.359 -9.188 2.187 1.00 0.00 N ATOM 1511 CA TYR A 100 7.350 -8.877 3.222 1.00 0.00 C ATOM 1512 C TYR A 100 7.905 -10.123 3.891 1.00 0.00 C ATOM 1513 O TYR A 100 9.064 -10.178 4.272 1.00 0.00 O ATOM 1514 CB TYR A 100 6.775 -7.959 4.272 1.00 0.00 C ATOM 1515 CG TYR A 100 6.336 -6.619 3.766 1.00 0.00 C ATOM 1516 CD1 TYR A 100 7.249 -5.719 3.247 1.00 0.00 C ATOM 1517 CD2 TYR A 100 5.006 -6.256 3.807 1.00 0.00 C ATOM 1518 CE1 TYR A 100 6.853 -4.489 2.781 1.00 0.00 C ATOM 1519 CE2 TYR A 100 4.592 -5.021 3.341 1.00 0.00 C ATOM 1520 CZ TYR A 100 5.528 -4.141 2.828 1.00 0.00 C ATOM 1521 OH TYR A 100 5.138 -2.912 2.361 1.00 0.00 O ATOM 0 H TYR A 100 5.407 -8.897 2.408 1.00 0.00 H new ATOM 0 HA TYR A 100 8.171 -8.374 2.711 1.00 0.00 H new ATOM 0 HB2 TYR A 100 5.922 -8.453 4.738 1.00 0.00 H new ATOM 0 HB3 TYR A 100 7.522 -7.810 5.052 1.00 0.00 H new ATOM 0 HD1 TYR A 100 8.294 -5.989 3.207 1.00 0.00 H new ATOM 0 HD2 TYR A 100 4.278 -6.945 4.208 1.00 0.00 H new ATOM 0 HE1 TYR A 100 7.582 -3.800 2.380 1.00 0.00 H new ATOM 0 HE2 TYR A 100 3.548 -4.747 3.377 1.00 0.00 H new ATOM 0 HH TYR A 100 5.743 -2.627 1.644 1.00 0.00 H new ATOM 1531 N VAL A 101 7.084 -11.125 3.999 1.00 0.00 N ATOM 1532 CA VAL A 101 7.474 -12.351 4.688 1.00 0.00 C ATOM 1533 C VAL A 101 8.202 -13.319 3.712 1.00 0.00 C ATOM 1534 O VAL A 101 8.768 -14.338 4.101 1.00 0.00 O ATOM 1535 CB VAL A 101 6.242 -12.988 5.350 1.00 0.00 C ATOM 1536 CG1 VAL A 101 5.227 -13.286 4.311 1.00 0.00 C ATOM 1537 CG2 VAL A 101 6.581 -14.220 6.190 1.00 0.00 C ATOM 0 H VAL A 101 6.136 -11.132 3.623 1.00 0.00 H new ATOM 0 HA VAL A 101 8.186 -12.118 5.480 1.00 0.00 H new ATOM 0 HB VAL A 101 5.830 -12.268 6.058 1.00 0.00 H new ATOM 0 HG11 VAL A 101 4.351 -13.738 4.777 1.00 0.00 H new ATOM 0 HG12 VAL A 101 4.936 -12.362 3.811 1.00 0.00 H new ATOM 0 HG13 VAL A 101 5.647 -13.977 3.580 1.00 0.00 H new ATOM 0 HG21 VAL A 101 5.669 -14.623 6.630 1.00 0.00 H new ATOM 0 HG22 VAL A 101 7.043 -14.977 5.556 1.00 0.00 H new ATOM 0 HG23 VAL A 101 7.274 -13.940 6.984 1.00 0.00 H new ATOM 1547 N CYS A 102 8.159 -12.993 2.435 1.00 0.00 N ATOM 1548 CA CYS A 102 8.951 -13.703 1.460 1.00 0.00 C ATOM 1549 C CYS A 102 10.203 -12.918 1.247 1.00 0.00 C ATOM 1550 O CYS A 102 11.266 -13.461 0.944 1.00 0.00 O ATOM 1551 CB CYS A 102 8.236 -13.821 0.138 1.00 0.00 C ATOM 1552 SG CYS A 102 7.163 -15.228 -0.050 1.00 0.00 S ATOM 0 H CYS A 102 7.584 -12.242 2.053 1.00 0.00 H new ATOM 0 HA CYS A 102 9.149 -14.710 1.828 1.00 0.00 H new ATOM 0 HB2 CYS A 102 7.646 -12.917 -0.015 1.00 0.00 H new ATOM 0 HB3 CYS A 102 8.984 -13.852 -0.655 1.00 0.00 H new ATOM 1557 N ASP A 103 10.031 -11.630 1.411 1.00 0.00 N ATOM 1558 CA ASP A 103 11.065 -10.620 1.233 1.00 0.00 C ATOM 1559 C ASP A 103 11.605 -10.657 -0.182 1.00 0.00 C ATOM 1560 O ASP A 103 12.807 -10.837 -0.429 1.00 0.00 O ATOM 1561 CB ASP A 103 12.164 -10.717 2.307 1.00 0.00 C ATOM 1562 CG ASP A 103 13.233 -9.639 2.206 1.00 0.00 C ATOM 1563 OD1 ASP A 103 12.921 -8.446 2.411 1.00 0.00 O ATOM 1564 OD2 ASP A 103 14.419 -9.977 1.972 1.00 0.00 O ATOM 0 H ASP A 103 9.132 -11.232 1.683 1.00 0.00 H new ATOM 0 HA ASP A 103 10.612 -9.639 1.377 1.00 0.00 H new ATOM 0 HB2 ASP A 103 11.700 -10.661 3.292 1.00 0.00 H new ATOM 0 HB3 ASP A 103 12.642 -11.694 2.235 1.00 0.00 H new ATOM 1569 N ASN A 104 10.686 -10.573 -1.124 1.00 0.00 N ATOM 1570 CA ASN A 104 10.999 -10.502 -2.485 1.00 0.00 C ATOM 1571 C ASN A 104 9.765 -9.946 -3.219 1.00 0.00 C ATOM 1572 O ASN A 104 8.672 -9.724 -2.588 1.00 0.00 O ATOM 1573 CB ASN A 104 11.329 -11.898 -3.024 1.00 0.00 C ATOM 1574 CG ASN A 104 10.109 -12.747 -3.113 1.00 0.00 C ATOM 1575 OD1 ASN A 104 9.800 -13.517 -2.241 1.00 0.00 O ATOM 1576 ND2 ASN A 104 9.422 -12.613 -4.173 1.00 0.00 N ATOM 0 H ASN A 104 9.685 -10.554 -0.930 1.00 0.00 H new ATOM 0 HA ASN A 104 11.866 -9.859 -2.640 1.00 0.00 H new ATOM 0 HB2 ASN A 104 11.786 -11.811 -4.010 1.00 0.00 H new ATOM 0 HB3 ASN A 104 12.061 -12.377 -2.374 1.00 0.00 H new ATOM 0 HD21 ASN A 104 8.577 -13.168 -4.307 1.00 0.00 H new ATOM 0 HD22 ASN A 104 9.715 -11.950 -4.890 1.00 0.00 H new ATOM 1583 N GLU A 105 9.917 -9.796 -4.526 1.00 0.00 N ATOM 1584 CA GLU A 105 8.890 -9.333 -5.415 1.00 0.00 C ATOM 1585 C GLU A 105 8.065 -10.509 -5.919 1.00 0.00 C ATOM 1586 O GLU A 105 8.608 -11.441 -6.524 1.00 0.00 O ATOM 1587 CB GLU A 105 9.577 -8.687 -6.563 1.00 0.00 C ATOM 1588 CG GLU A 105 8.653 -7.906 -7.445 1.00 0.00 C ATOM 1589 CD GLU A 105 9.386 -7.024 -8.424 1.00 0.00 C ATOM 1590 OE1 GLU A 105 9.883 -7.546 -9.449 1.00 0.00 O ATOM 1591 OE2 GLU A 105 9.507 -5.793 -8.178 1.00 0.00 O ATOM 0 H GLU A 105 10.794 -10.004 -5.003 1.00 0.00 H new ATOM 0 HA GLU A 105 8.221 -8.639 -4.906 1.00 0.00 H new ATOM 0 HB2 GLU A 105 10.354 -8.023 -6.185 1.00 0.00 H new ATOM 0 HB3 GLU A 105 10.074 -9.453 -7.158 1.00 0.00 H new ATOM 0 HG2 GLU A 105 8.012 -8.596 -7.994 1.00 0.00 H new ATOM 0 HG3 GLU A 105 8.001 -7.290 -6.826 1.00 0.00 H new ATOM 1598 N VAL A 106 6.795 -10.465 -5.707 1.00 0.00 N ATOM 1599 CA VAL A 106 5.949 -11.582 -6.005 1.00 0.00 C ATOM 1600 C VAL A 106 5.541 -11.606 -7.480 1.00 0.00 C ATOM 1601 O VAL A 106 5.478 -10.559 -8.167 1.00 0.00 O ATOM 1602 CB VAL A 106 4.735 -11.673 -5.035 1.00 0.00 C ATOM 1603 CG1 VAL A 106 3.995 -12.991 -5.168 1.00 0.00 C ATOM 1604 CG2 VAL A 106 5.222 -11.526 -3.626 1.00 0.00 C ATOM 0 H VAL A 106 6.308 -9.656 -5.322 1.00 0.00 H new ATOM 0 HA VAL A 106 6.533 -12.486 -5.835 1.00 0.00 H new ATOM 0 HB VAL A 106 4.041 -10.873 -5.293 1.00 0.00 H new ATOM 0 HG11 VAL A 106 3.156 -13.009 -4.472 1.00 0.00 H new ATOM 0 HG12 VAL A 106 3.623 -13.098 -6.187 1.00 0.00 H new ATOM 0 HG13 VAL A 106 4.673 -13.814 -4.940 1.00 0.00 H new ATOM 0 HG21 VAL A 106 4.377 -11.589 -2.941 1.00 0.00 H new ATOM 0 HG22 VAL A 106 5.931 -12.322 -3.401 1.00 0.00 H new ATOM 0 HG23 VAL A 106 5.713 -10.560 -3.510 1.00 0.00 H new ATOM 1614 N GLN A 107 5.231 -12.797 -7.897 1.00 0.00 N ATOM 1615 CA GLN A 107 5.010 -13.230 -9.200 1.00 0.00 C ATOM 1616 C GLN A 107 3.582 -13.742 -9.252 1.00 0.00 C ATOM 1617 O GLN A 107 3.076 -14.332 -8.282 1.00 0.00 O ATOM 1618 CB GLN A 107 6.024 -14.358 -9.452 1.00 0.00 C ATOM 1619 CG GLN A 107 5.905 -15.524 -8.448 1.00 0.00 C ATOM 1620 CD GLN A 107 7.204 -16.231 -8.205 1.00 0.00 C ATOM 1621 OE1 GLN A 107 7.546 -17.182 -8.884 1.00 0.00 O ATOM 1622 NE2 GLN A 107 7.922 -15.776 -7.201 1.00 0.00 N ATOM 0 H GLN A 107 5.119 -13.563 -7.232 1.00 0.00 H new ATOM 0 HA GLN A 107 5.135 -12.454 -9.955 1.00 0.00 H new ATOM 0 HB2 GLN A 107 5.885 -14.743 -10.462 1.00 0.00 H new ATOM 0 HB3 GLN A 107 7.033 -13.948 -9.403 1.00 0.00 H new ATOM 0 HG2 GLN A 107 5.525 -15.142 -7.501 1.00 0.00 H new ATOM 0 HG3 GLN A 107 5.173 -16.241 -8.819 1.00 0.00 H new ATOM 0 HE21 GLN A 107 7.594 -14.976 -6.661 1.00 0.00 H new ATOM 0 HE22 GLN A 107 8.807 -16.224 -6.963 1.00 0.00 H new ATOM 1631 N TYR A 108 2.953 -13.475 -10.317 1.00 0.00 N ATOM 1632 CA TYR A 108 1.551 -13.796 -10.533 1.00 0.00 C ATOM 1633 C TYR A 108 1.185 -13.649 -11.981 1.00 0.00 C ATOM 1634 O TYR A 108 1.963 -13.137 -12.791 1.00 0.00 O ATOM 1635 CB TYR A 108 0.645 -12.872 -9.688 1.00 0.00 C ATOM 1636 CG TYR A 108 0.931 -11.410 -9.872 1.00 0.00 C ATOM 1637 CD1 TYR A 108 1.886 -10.794 -9.100 1.00 0.00 C ATOM 1638 CD2 TYR A 108 0.265 -10.655 -10.821 1.00 0.00 C ATOM 1639 CE1 TYR A 108 2.177 -9.486 -9.256 1.00 0.00 C ATOM 1640 CE2 TYR A 108 0.550 -9.328 -10.991 1.00 0.00 C ATOM 1641 CZ TYR A 108 1.516 -8.745 -10.200 1.00 0.00 C ATOM 1642 OH TYR A 108 1.826 -7.425 -10.352 1.00 0.00 O ATOM 0 H TYR A 108 3.388 -13.009 -11.113 1.00 0.00 H new ATOM 0 HA TYR A 108 1.400 -14.832 -10.228 1.00 0.00 H new ATOM 0 HB2 TYR A 108 -0.396 -13.064 -9.947 1.00 0.00 H new ATOM 0 HB3 TYR A 108 0.764 -13.126 -8.635 1.00 0.00 H new ATOM 0 HD1 TYR A 108 2.414 -11.368 -8.353 1.00 0.00 H new ATOM 0 HD2 TYR A 108 -0.491 -11.120 -11.436 1.00 0.00 H new ATOM 0 HE1 TYR A 108 2.931 -9.023 -8.637 1.00 0.00 H new ATOM 0 HE2 TYR A 108 0.026 -8.746 -11.734 1.00 0.00 H new ATOM 0 HH TYR A 108 2.515 -7.328 -11.042 1.00 0.00 H new ATOM 1652 N CYS A 109 0.018 -14.093 -12.287 1.00 0.00 N ATOM 1653 CA CYS A 109 -0.583 -13.958 -13.570 1.00 0.00 C ATOM 1654 C CYS A 109 -2.062 -13.875 -13.290 1.00 0.00 C ATOM 1655 O CYS A 109 -2.470 -14.177 -12.155 1.00 0.00 O ATOM 1656 CB CYS A 109 -0.245 -15.171 -14.445 1.00 0.00 C ATOM 1657 SG CYS A 109 -0.728 -16.753 -13.729 1.00 0.00 S ATOM 0 H CYS A 109 -0.574 -14.585 -11.618 1.00 0.00 H new ATOM 0 HA CYS A 109 -0.227 -13.083 -14.114 1.00 0.00 H new ATOM 0 HB2 CYS A 109 -0.736 -15.057 -15.411 1.00 0.00 H new ATOM 0 HB3 CYS A 109 0.829 -15.182 -14.633 1.00 0.00 H new ATOM 0 HG CYS A 109 -0.403 -17.714 -14.542 1.00 0.00 H new ATOM 1663 N SER A 110 -2.861 -13.509 -14.259 1.00 0.00 N ATOM 1664 CA SER A 110 -4.293 -13.343 -14.056 1.00 0.00 C ATOM 1665 C SER A 110 -5.007 -14.686 -13.808 1.00 0.00 C ATOM 1666 O SER A 110 -6.180 -14.716 -13.449 1.00 0.00 O ATOM 1667 CB SER A 110 -4.892 -12.585 -15.231 1.00 0.00 C ATOM 1668 OG SER A 110 -4.172 -11.371 -15.430 1.00 0.00 O ATOM 0 H SER A 110 -2.548 -13.316 -15.210 1.00 0.00 H new ATOM 0 HA SER A 110 -4.446 -12.756 -13.151 1.00 0.00 H new ATOM 0 HB2 SER A 110 -4.850 -13.197 -16.132 1.00 0.00 H new ATOM 0 HB3 SER A 110 -5.943 -12.370 -15.041 1.00 0.00 H new ATOM 0 HG SER A 110 -4.556 -10.883 -16.188 1.00 0.00 H new ATOM 1674 N SER A 111 -4.305 -15.782 -14.022 1.00 0.00 N ATOM 1675 CA SER A 111 -4.818 -17.094 -13.689 1.00 0.00 C ATOM 1676 C SER A 111 -4.827 -17.248 -12.148 1.00 0.00 C ATOM 1677 O SER A 111 -5.796 -17.757 -11.550 1.00 0.00 O ATOM 1678 CB SER A 111 -3.936 -18.175 -14.356 1.00 0.00 C ATOM 1679 OG SER A 111 -4.399 -19.495 -14.091 1.00 0.00 O ATOM 0 H SER A 111 -3.370 -15.787 -14.429 1.00 0.00 H new ATOM 0 HA SER A 111 -5.836 -17.214 -14.059 1.00 0.00 H new ATOM 0 HB2 SER A 111 -3.916 -18.010 -15.433 1.00 0.00 H new ATOM 0 HB3 SER A 111 -2.911 -18.074 -13.999 1.00 0.00 H new ATOM 0 HG SER A 111 -3.812 -20.143 -14.534 1.00 0.00 H new ATOM 1685 N ASN A 112 -3.779 -16.741 -11.520 1.00 0.00 N ATOM 1686 CA ASN A 112 -3.600 -16.807 -10.069 1.00 0.00 C ATOM 1687 C ASN A 112 -4.439 -15.741 -9.417 1.00 0.00 C ATOM 1688 O ASN A 112 -4.608 -14.671 -9.987 1.00 0.00 O ATOM 1689 CB ASN A 112 -2.116 -16.591 -9.681 1.00 0.00 C ATOM 1690 CG ASN A 112 -1.195 -17.703 -10.153 1.00 0.00 C ATOM 1691 OD1 ASN A 112 -1.454 -18.354 -11.143 1.00 0.00 O ATOM 1692 ND2 ASN A 112 -0.108 -17.912 -9.463 1.00 0.00 N ATOM 0 H ASN A 112 -3.017 -16.266 -12.004 1.00 0.00 H new ATOM 0 HA ASN A 112 -3.908 -17.795 -9.728 1.00 0.00 H new ATOM 0 HB2 ASN A 112 -1.774 -15.645 -10.100 1.00 0.00 H new ATOM 0 HB3 ASN A 112 -2.042 -16.505 -8.597 1.00 0.00 H new ATOM 0 HD21 ASN A 112 0.548 -18.637 -9.752 1.00 0.00 H new ATOM 0 HD22 ASN A 112 0.086 -17.350 -8.634 1.00 0.00 H new ATOM 1699 N GLN A 113 -4.935 -16.013 -8.217 1.00 0.00 N ATOM 1700 CA GLN A 113 -5.817 -15.082 -7.477 1.00 0.00 C ATOM 1701 C GLN A 113 -5.126 -13.750 -7.256 1.00 0.00 C ATOM 1702 O GLN A 113 -5.756 -12.697 -7.299 1.00 0.00 O ATOM 1703 CB GLN A 113 -6.192 -15.665 -6.123 1.00 0.00 C ATOM 1704 CG GLN A 113 -7.333 -14.952 -5.426 1.00 0.00 C ATOM 1705 CD GLN A 113 -7.683 -15.584 -4.086 1.00 0.00 C ATOM 1706 OE1 GLN A 113 -8.291 -14.827 -3.237 1.00 0.00 O flip ATOM 1707 NE2 GLN A 113 -7.473 -16.776 -3.858 1.00 0.00 N flip ATOM 0 H GLN A 113 -4.745 -16.882 -7.718 1.00 0.00 H new ATOM 0 HA GLN A 113 -6.716 -14.933 -8.076 1.00 0.00 H new ATOM 0 HB2 GLN A 113 -6.462 -16.713 -6.255 1.00 0.00 H new ATOM 0 HB3 GLN A 113 -5.315 -15.640 -5.476 1.00 0.00 H new ATOM 0 HG2 GLN A 113 -7.064 -13.907 -5.272 1.00 0.00 H new ATOM 0 HG3 GLN A 113 -8.212 -14.964 -6.070 1.00 0.00 H new ATOM 0 HE21 GLN A 113 -6.990 -17.350 -4.549 1.00 0.00 H new ATOM 0 HE22 GLN A 113 -7.783 -17.189 -2.978 1.00 0.00 H new ATOM 1716 N LEU A 114 -3.821 -13.804 -7.075 1.00 0.00 N ATOM 1717 CA LEU A 114 -3.026 -12.632 -6.852 1.00 0.00 C ATOM 1718 C LEU A 114 -3.042 -11.759 -8.093 1.00 0.00 C ATOM 1719 O LEU A 114 -3.217 -10.549 -8.007 1.00 0.00 O ATOM 1720 CB LEU A 114 -1.603 -13.069 -6.511 1.00 0.00 C ATOM 1721 CG LEU A 114 -0.600 -11.959 -6.235 1.00 0.00 C ATOM 1722 CD1 LEU A 114 -1.073 -11.075 -5.105 1.00 0.00 C ATOM 1723 CD2 LEU A 114 0.737 -12.551 -5.899 1.00 0.00 C ATOM 0 H LEU A 114 -3.287 -14.673 -7.080 1.00 0.00 H new ATOM 0 HA LEU A 114 -3.431 -12.049 -6.025 1.00 0.00 H new ATOM 0 HB2 LEU A 114 -1.646 -13.716 -5.635 1.00 0.00 H new ATOM 0 HB3 LEU A 114 -1.225 -13.673 -7.336 1.00 0.00 H new ATOM 0 HG LEU A 114 -0.508 -11.347 -7.132 1.00 0.00 H new ATOM 0 HD11 LEU A 114 -0.339 -10.289 -4.926 1.00 0.00 H new ATOM 0 HD12 LEU A 114 -2.029 -10.625 -5.371 1.00 0.00 H new ATOM 0 HD13 LEU A 114 -1.192 -11.672 -4.201 1.00 0.00 H new ATOM 0 HD21 LEU A 114 1.450 -11.751 -5.703 1.00 0.00 H new ATOM 0 HD22 LEU A 114 0.644 -13.180 -5.014 1.00 0.00 H new ATOM 0 HD23 LEU A 114 1.089 -13.153 -6.736 1.00 0.00 H new ATOM 1735 N GLY A 115 -2.946 -12.396 -9.239 1.00 0.00 N ATOM 1736 CA GLY A 115 -2.997 -11.676 -10.481 1.00 0.00 C ATOM 1737 C GLY A 115 -4.382 -11.151 -10.735 1.00 0.00 C ATOM 1738 O GLY A 115 -4.538 -10.029 -11.177 1.00 0.00 O ATOM 0 H GLY A 115 -2.833 -13.405 -9.331 1.00 0.00 H new ATOM 0 HA2 GLY A 115 -2.288 -10.848 -10.457 1.00 0.00 H new ATOM 0 HA3 GLY A 115 -2.695 -12.330 -11.299 1.00 0.00 H new ATOM 1742 N GLN A 116 -5.402 -11.968 -10.424 1.00 0.00 N ATOM 1743 CA GLN A 116 -6.815 -11.579 -10.574 1.00 0.00 C ATOM 1744 C GLN A 116 -7.109 -10.342 -9.781 1.00 0.00 C ATOM 1745 O GLN A 116 -7.784 -9.415 -10.258 1.00 0.00 O ATOM 1746 CB GLN A 116 -7.746 -12.678 -10.067 1.00 0.00 C ATOM 1747 CG GLN A 116 -7.513 -14.004 -10.685 1.00 0.00 C ATOM 1748 CD GLN A 116 -8.590 -15.002 -10.341 1.00 0.00 C ATOM 1749 OE1 GLN A 116 -9.753 -14.647 -10.132 1.00 0.00 O ATOM 1750 NE2 GLN A 116 -8.225 -16.240 -10.285 1.00 0.00 N ATOM 0 H GLN A 116 -5.272 -12.913 -10.063 1.00 0.00 H new ATOM 0 HA GLN A 116 -6.984 -11.404 -11.637 1.00 0.00 H new ATOM 0 HB2 GLN A 116 -7.630 -12.768 -8.987 1.00 0.00 H new ATOM 0 HB3 GLN A 116 -8.778 -12.379 -10.253 1.00 0.00 H new ATOM 0 HG2 GLN A 116 -7.460 -13.892 -11.768 1.00 0.00 H new ATOM 0 HG3 GLN A 116 -6.548 -14.389 -10.357 1.00 0.00 H new ATOM 0 HE21 GLN A 116 -7.253 -16.494 -10.464 1.00 0.00 H new ATOM 0 HE22 GLN A 116 -8.908 -16.964 -10.062 1.00 0.00 H new ATOM 1759 N VAL A 117 -6.565 -10.290 -8.602 1.00 0.00 N ATOM 1760 CA VAL A 117 -6.817 -9.172 -7.764 1.00 0.00 C ATOM 1761 C VAL A 117 -6.060 -7.963 -8.247 1.00 0.00 C ATOM 1762 O VAL A 117 -6.637 -6.922 -8.385 1.00 0.00 O ATOM 1763 CB VAL A 117 -6.619 -9.466 -6.274 1.00 0.00 C ATOM 1764 CG1 VAL A 117 -6.406 -8.207 -5.485 1.00 0.00 C ATOM 1765 CG2 VAL A 117 -7.855 -10.117 -5.762 1.00 0.00 C ATOM 0 H VAL A 117 -5.952 -11.003 -8.208 1.00 0.00 H new ATOM 0 HA VAL A 117 -7.879 -8.940 -7.845 1.00 0.00 H new ATOM 0 HB VAL A 117 -5.741 -10.103 -6.163 1.00 0.00 H new ATOM 0 HG11 VAL A 117 -6.269 -8.456 -4.433 1.00 0.00 H new ATOM 0 HG12 VAL A 117 -5.519 -7.692 -5.854 1.00 0.00 H new ATOM 0 HG13 VAL A 117 -7.275 -7.558 -5.594 1.00 0.00 H new ATOM 0 HG21 VAL A 117 -7.738 -10.336 -4.701 1.00 0.00 H new ATOM 0 HG22 VAL A 117 -8.704 -9.448 -5.903 1.00 0.00 H new ATOM 0 HG23 VAL A 117 -8.030 -11.045 -6.307 1.00 0.00 H new ATOM 1775 N VAL A 118 -4.778 -8.121 -8.559 1.00 0.00 N ATOM 1776 CA VAL A 118 -3.976 -7.016 -9.146 1.00 0.00 C ATOM 1777 C VAL A 118 -4.649 -6.454 -10.380 1.00 0.00 C ATOM 1778 O VAL A 118 -4.698 -5.256 -10.573 1.00 0.00 O ATOM 1779 CB VAL A 118 -2.533 -7.460 -9.517 1.00 0.00 C ATOM 1780 CG1 VAL A 118 -1.792 -6.377 -10.314 1.00 0.00 C ATOM 1781 CG2 VAL A 118 -1.743 -7.771 -8.280 1.00 0.00 C ATOM 0 H VAL A 118 -4.262 -8.990 -8.423 1.00 0.00 H new ATOM 0 HA VAL A 118 -3.911 -6.247 -8.376 1.00 0.00 H new ATOM 0 HB VAL A 118 -2.625 -8.352 -10.136 1.00 0.00 H new ATOM 0 HG11 VAL A 118 -0.787 -6.725 -10.554 1.00 0.00 H new ATOM 0 HG12 VAL A 118 -2.334 -6.169 -11.236 1.00 0.00 H new ATOM 0 HG13 VAL A 118 -1.728 -5.467 -9.718 1.00 0.00 H new ATOM 0 HG21 VAL A 118 -0.736 -8.080 -8.560 1.00 0.00 H new ATOM 0 HG22 VAL A 118 -1.688 -6.883 -7.650 1.00 0.00 H new ATOM 0 HG23 VAL A 118 -2.230 -8.576 -7.730 1.00 0.00 H new ATOM 1791 N ASP A 119 -5.218 -7.325 -11.159 1.00 0.00 N ATOM 1792 CA ASP A 119 -5.926 -6.948 -12.390 1.00 0.00 C ATOM 1793 C ASP A 119 -7.161 -6.127 -12.033 1.00 0.00 C ATOM 1794 O ASP A 119 -7.389 -5.033 -12.572 1.00 0.00 O ATOM 1795 CB ASP A 119 -6.331 -8.219 -13.153 1.00 0.00 C ATOM 1796 CG ASP A 119 -7.210 -7.962 -14.355 1.00 0.00 C ATOM 1797 OD1 ASP A 119 -6.684 -7.621 -15.431 1.00 0.00 O ATOM 1798 OD2 ASP A 119 -8.445 -8.157 -14.243 1.00 0.00 O ATOM 0 H ASP A 119 -5.215 -8.328 -10.975 1.00 0.00 H new ATOM 0 HA ASP A 119 -5.274 -6.347 -13.024 1.00 0.00 H new ATOM 0 HB2 ASP A 119 -5.429 -8.737 -13.480 1.00 0.00 H new ATOM 0 HB3 ASP A 119 -6.854 -8.889 -12.470 1.00 0.00 H new ATOM 1803 N TYR A 120 -7.885 -6.607 -11.045 1.00 0.00 N ATOM 1804 CA TYR A 120 -9.098 -5.940 -10.586 1.00 0.00 C ATOM 1805 C TYR A 120 -8.740 -4.592 -9.937 1.00 0.00 C ATOM 1806 O TYR A 120 -9.320 -3.550 -10.229 1.00 0.00 O ATOM 1807 CB TYR A 120 -9.892 -6.868 -9.617 1.00 0.00 C ATOM 1808 CG TYR A 120 -10.674 -6.141 -8.551 1.00 0.00 C ATOM 1809 CD1 TYR A 120 -11.889 -5.541 -8.810 1.00 0.00 C ATOM 1810 CD2 TYR A 120 -10.142 -6.021 -7.280 1.00 0.00 C ATOM 1811 CE1 TYR A 120 -12.551 -4.843 -7.825 1.00 0.00 C ATOM 1812 CE2 TYR A 120 -10.776 -5.323 -6.305 1.00 0.00 C ATOM 1813 CZ TYR A 120 -11.986 -4.729 -6.576 1.00 0.00 C ATOM 1814 OH TYR A 120 -12.613 -3.984 -5.607 1.00 0.00 O ATOM 0 H TYR A 120 -7.658 -7.462 -10.537 1.00 0.00 H new ATOM 0 HA TYR A 120 -9.747 -5.734 -11.437 1.00 0.00 H new ATOM 0 HB2 TYR A 120 -10.581 -7.478 -10.202 1.00 0.00 H new ATOM 0 HB3 TYR A 120 -9.193 -7.551 -9.134 1.00 0.00 H new ATOM 0 HD1 TYR A 120 -12.325 -5.620 -9.795 1.00 0.00 H new ATOM 0 HD2 TYR A 120 -9.197 -6.495 -7.058 1.00 0.00 H new ATOM 0 HE1 TYR A 120 -13.508 -4.388 -8.032 1.00 0.00 H new ATOM 0 HE2 TYR A 120 -10.334 -5.235 -5.324 1.00 0.00 H new ATOM 0 HH TYR A 120 -13.441 -3.606 -5.970 1.00 0.00 H new ATOM 1824 N VAL A 121 -7.744 -4.601 -9.137 1.00 0.00 N ATOM 1825 CA VAL A 121 -7.344 -3.434 -8.413 1.00 0.00 C ATOM 1826 C VAL A 121 -6.741 -2.418 -9.374 1.00 0.00 C ATOM 1827 O VAL A 121 -6.858 -1.201 -9.175 1.00 0.00 O ATOM 1828 CB VAL A 121 -6.355 -3.793 -7.275 1.00 0.00 C ATOM 1829 CG1 VAL A 121 -5.865 -2.580 -6.568 1.00 0.00 C ATOM 1830 CG2 VAL A 121 -6.997 -4.730 -6.280 1.00 0.00 C ATOM 0 H VAL A 121 -7.169 -5.424 -8.956 1.00 0.00 H new ATOM 0 HA VAL A 121 -8.223 -2.991 -7.944 1.00 0.00 H new ATOM 0 HB VAL A 121 -5.503 -4.289 -7.740 1.00 0.00 H new ATOM 0 HG11 VAL A 121 -5.174 -2.874 -5.778 1.00 0.00 H new ATOM 0 HG12 VAL A 121 -5.351 -1.929 -7.275 1.00 0.00 H new ATOM 0 HG13 VAL A 121 -6.710 -2.047 -6.132 1.00 0.00 H new ATOM 0 HG21 VAL A 121 -6.283 -4.967 -5.491 1.00 0.00 H new ATOM 0 HG22 VAL A 121 -7.874 -4.252 -5.844 1.00 0.00 H new ATOM 0 HG23 VAL A 121 -7.297 -5.648 -6.786 1.00 0.00 H new ATOM 1840 N ARG A 122 -6.169 -2.916 -10.441 1.00 0.00 N ATOM 1841 CA ARG A 122 -5.666 -2.070 -11.456 1.00 0.00 C ATOM 1842 C ARG A 122 -6.817 -1.403 -12.138 1.00 0.00 C ATOM 1843 O ARG A 122 -6.749 -0.233 -12.432 1.00 0.00 O ATOM 1844 CB ARG A 122 -4.780 -2.807 -12.433 1.00 0.00 C ATOM 1845 CG ARG A 122 -4.011 -1.865 -13.314 1.00 0.00 C ATOM 1846 CD ARG A 122 -2.811 -2.545 -13.934 1.00 0.00 C ATOM 1847 NE ARG A 122 -3.176 -3.527 -14.968 1.00 0.00 N ATOM 1848 CZ ARG A 122 -2.373 -3.883 -15.983 1.00 0.00 C ATOM 1849 NH1 ARG A 122 -1.220 -3.245 -16.186 1.00 0.00 N ATOM 1850 NH2 ARG A 122 -2.749 -4.828 -16.821 1.00 0.00 N ATOM 0 H ARG A 122 -6.047 -3.913 -10.616 1.00 0.00 H new ATOM 0 HA ARG A 122 -5.028 -1.313 -11.001 1.00 0.00 H new ATOM 0 HB2 ARG A 122 -4.083 -3.441 -11.884 1.00 0.00 H new ATOM 0 HB3 ARG A 122 -5.391 -3.465 -13.051 1.00 0.00 H new ATOM 0 HG2 ARG A 122 -4.663 -1.486 -14.101 1.00 0.00 H new ATOM 0 HG3 ARG A 122 -3.683 -1.005 -12.730 1.00 0.00 H new ATOM 0 HD2 ARG A 122 -2.159 -1.790 -14.372 1.00 0.00 H new ATOM 0 HD3 ARG A 122 -2.239 -3.045 -13.152 1.00 0.00 H new ATOM 0 HE ARG A 122 -4.096 -3.964 -14.910 1.00 0.00 H new ATOM 0 HH11 ARG A 122 -0.944 -2.482 -15.568 1.00 0.00 H new ATOM 0 HH12 ARG A 122 -0.614 -3.520 -16.959 1.00 0.00 H new ATOM 0 HH21 ARG A 122 -3.651 -5.289 -16.698 1.00 0.00 H new ATOM 0 HH22 ARG A 122 -2.139 -5.098 -17.592 1.00 0.00 H new ATOM 1864 N LYS A 123 -7.915 -2.137 -12.309 1.00 0.00 N ATOM 1865 CA LYS A 123 -9.149 -1.569 -12.848 1.00 0.00 C ATOM 1866 C LYS A 123 -9.714 -0.534 -11.891 1.00 0.00 C ATOM 1867 O LYS A 123 -10.394 0.381 -12.301 1.00 0.00 O ATOM 1868 CB LYS A 123 -10.218 -2.650 -13.037 1.00 0.00 C ATOM 1869 CG LYS A 123 -9.877 -3.739 -14.017 1.00 0.00 C ATOM 1870 CD LYS A 123 -9.685 -3.176 -15.391 1.00 0.00 C ATOM 1871 CE LYS A 123 -9.482 -4.267 -16.419 1.00 0.00 C ATOM 1872 NZ LYS A 123 -9.329 -3.720 -17.782 1.00 0.00 N ATOM 0 H LYS A 123 -7.975 -3.129 -12.081 1.00 0.00 H new ATOM 0 HA LYS A 123 -8.902 -1.116 -13.808 1.00 0.00 H new ATOM 0 HB2 LYS A 123 -10.421 -3.108 -12.069 1.00 0.00 H new ATOM 0 HB3 LYS A 123 -11.141 -2.170 -13.362 1.00 0.00 H new ATOM 0 HG2 LYS A 123 -8.969 -4.250 -13.698 1.00 0.00 H new ATOM 0 HG3 LYS A 123 -10.673 -4.483 -14.032 1.00 0.00 H new ATOM 0 HD2 LYS A 123 -10.554 -2.576 -15.663 1.00 0.00 H new ATOM 0 HD3 LYS A 123 -8.823 -2.508 -15.394 1.00 0.00 H new ATOM 0 HE2 LYS A 123 -8.597 -4.849 -16.160 1.00 0.00 H new ATOM 0 HE3 LYS A 123 -10.331 -4.950 -16.395 1.00 0.00 H new ATOM 0 HZ1 LYS A 123 -9.192 -4.500 -18.456 1.00 0.00 H new ATOM 0 HZ2 LYS A 123 -10.183 -3.186 -18.040 1.00 0.00 H new ATOM 0 HZ3 LYS A 123 -8.504 -3.088 -17.812 1.00 0.00 H new ATOM 1886 N GLN A 124 -9.430 -0.694 -10.604 1.00 0.00 N ATOM 1887 CA GLN A 124 -9.958 0.252 -9.621 1.00 0.00 C ATOM 1888 C GLN A 124 -9.261 1.578 -9.728 1.00 0.00 C ATOM 1889 O GLN A 124 -9.890 2.637 -9.787 1.00 0.00 O ATOM 1890 CB GLN A 124 -9.840 -0.241 -8.189 1.00 0.00 C ATOM 1891 CG GLN A 124 -10.639 -1.480 -7.876 1.00 0.00 C ATOM 1892 CD GLN A 124 -11.831 -1.673 -8.750 1.00 0.00 C ATOM 1893 OE1 GLN A 124 -12.923 -1.183 -8.480 1.00 0.00 O ATOM 1894 NE2 GLN A 124 -11.631 -2.422 -9.767 1.00 0.00 N ATOM 0 H GLN A 124 -8.855 -1.445 -10.222 1.00 0.00 H new ATOM 0 HA GLN A 124 -11.018 0.356 -9.855 1.00 0.00 H new ATOM 0 HB2 GLN A 124 -8.790 -0.440 -7.974 1.00 0.00 H new ATOM 0 HB3 GLN A 124 -10.157 0.557 -7.518 1.00 0.00 H new ATOM 0 HG2 GLN A 124 -9.990 -2.351 -7.968 1.00 0.00 H new ATOM 0 HG3 GLN A 124 -10.967 -1.435 -6.837 1.00 0.00 H new ATOM 0 HE21 GLN A 124 -10.702 -2.803 -9.945 1.00 0.00 H new ATOM 0 HE22 GLN A 124 -12.401 -2.638 -10.401 1.00 0.00 H new ATOM 1903 N ALA A 125 -7.958 1.501 -9.762 1.00 0.00 N ATOM 1904 CA ALA A 125 -7.120 2.661 -9.833 1.00 0.00 C ATOM 1905 C ALA A 125 -7.189 3.311 -11.203 1.00 0.00 C ATOM 1906 O ALA A 125 -7.168 4.540 -11.316 1.00 0.00 O ATOM 1907 CB ALA A 125 -5.705 2.282 -9.459 1.00 0.00 C ATOM 0 H ALA A 125 -7.445 0.619 -9.741 1.00 0.00 H new ATOM 0 HA ALA A 125 -7.479 3.404 -9.121 1.00 0.00 H new ATOM 0 HB1 ALA A 125 -5.066 3.163 -9.513 1.00 0.00 H new ATOM 0 HB2 ALA A 125 -5.691 1.885 -8.444 1.00 0.00 H new ATOM 0 HB3 ALA A 125 -5.336 1.524 -10.150 1.00 0.00 H new ATOM 1913 N SER A 126 -7.247 2.491 -12.230 1.00 0.00 N ATOM 1914 CA SER A 126 -7.396 2.972 -13.600 1.00 0.00 C ATOM 1915 C SER A 126 -8.793 3.608 -13.781 1.00 0.00 C ATOM 1916 O SER A 126 -8.904 4.839 -13.731 1.00 0.00 O ATOM 1917 CB SER A 126 -7.164 1.814 -14.606 1.00 0.00 C ATOM 1918 OG SER A 126 -7.084 2.261 -15.956 1.00 0.00 O ATOM 1919 OXT SER A 126 -9.794 2.882 -13.938 1.00 0.00 O ATOM 0 H SER A 126 -7.193 1.476 -12.147 1.00 0.00 H new ATOM 0 HA SER A 126 -6.645 3.737 -13.799 1.00 0.00 H new ATOM 0 HB2 SER A 126 -6.243 1.292 -14.346 1.00 0.00 H new ATOM 0 HB3 SER A 126 -7.976 1.092 -14.515 1.00 0.00 H new ATOM 0 HG SER A 126 -6.936 1.493 -16.547 1.00 0.00 H new TER 1925 SER A 126 HETATM 1926 ZN ZN A 336 2.582 7.287 3.845 1.00 0.00 ZN HETATM 1927 ZN ZN A 337 -3.454 -4.059 5.406 1.00 0.00 ZN HETATM 1928 ZN ZN A 338 5.065 -14.694 0.601 1.00 0.00 ZN