USER MOD reduce.3.24.130724 H: found=0, std=0, add=534, rem=0, adj=26 USER MOD reduce.3.24.130724 removed 143 hydrogens (0 hets) USER MOD ----------------------------------------------------------------- USER MOD scores for adjustable sidechains, with "set" totals for H,N and Q USER MOD "o" means original, "f" means flipped, "180deg" is methyl default USER MOD "!" flags a clash with an overlap of 0.40A or greater USER MOD flip categories: "K"=keep, "C"=clashes, "X"=uncertain, "F"=flip USER MOD Set 1.1: A 6 THR OG1 : rot -98:sc= 0.725 USER MOD Set 1.2: A 68 HIS :FLIP no HD1:sc= -8.06! C(o=-11!,f=-6.8!) USER MOD Set 1.3: A 71 GLN : amide:sc= 0.515 K(o=-6.8,f=-7.4) USER MOD Set 2.1: A 27 MET CE :methyl -158:sc= -9.93! (180deg=-10.5!) USER MOD Set 2.2: A 54 TYR OH : rot 180:sc= -1.61 USER MOD Set 3.1: A 21 ASN :FLIP amide:sc= -0.683 F(o=-0.4!,f=0.24) USER MOD Set 3.2: A 61 SER OG : rot 45:sc= 0.92 USER MOD Set 4.1: A 1 ILE N :NH3+ 141:sc= 1.23 (180deg=-0.00216) USER MOD Set 4.2: A 15 THR OG1 : rot -85:sc= 1.8 USER MOD Single : A 4 HIS : no HE2:sc= -5.54! C(o=-5.5!,f=-6.2!) USER MOD Single : A 5 THR OG1 : rot -110:sc= -3.22! USER MOD Single : A 8 THR OG1 : rot 180:sc= -0.299 USER MOD Single : A 9 SER OG : rot -83:sc= -0.0461 USER MOD Single : A 12 SER OG : rot 180:sc= 0 USER MOD Single : A 24 TYR OH : rot 180:sc= -2 USER MOD Single : A 26 LYS NZ :NH3+ -137:sc= 0 (180deg=-0.201) USER MOD Single : A 34 SER OG : rot 180:sc= -0.029 USER MOD Single : A 35 SER OG : rot 180:sc= 0 USER MOD Single : A 38 LYS NZ :NH3+ 155:sc= -0.0395 (180deg=-0.359) USER MOD Single : A 47 THR OG1 : rot -50:sc= 1 USER MOD Single : A 50 SER OG : rot -56:sc= 1.11 USER MOD Single : A 51 LYS NZ :NH3+ -144:sc= -2.12! (180deg=-5.69!) USER MOD Single : A 52 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 58 THR OG1 : rot 180:sc= 0 USER MOD Single : A 62 THR OG1 : rot 180:sc= 0 USER MOD Single : A 64 LYS NZ :NH3+ 140:sc= -1.21 (180deg=-3.03!) USER MOD Single : A 66 ASN :FLIP amide:sc= -7.63! C(o=-14!,f=-7.6!) USER MOD Single : A 70 LYS NZ :NH3+ 153:sc= -0.417 (180deg=-1.34!) USER MOD ----------------------------------------------------------------- ATOM 1 N ILE A 1 4.206 13.473 -2.668 1.00 0.00 N ATOM 2 CA ILE A 1 3.666 13.483 -4.065 1.00 0.00 C ATOM 3 C ILE A 1 4.261 12.380 -4.964 1.00 0.00 C ATOM 4 O ILE A 1 5.372 12.455 -5.478 1.00 0.00 O ATOM 5 CB ILE A 1 3.767 14.880 -4.684 1.00 0.00 C ATOM 6 CG1 ILE A 1 3.009 14.908 -6.021 1.00 0.00 C ATOM 7 CG2 ILE A 1 5.225 15.351 -4.836 1.00 0.00 C ATOM 8 CD1 ILE A 1 2.315 16.252 -6.242 1.00 0.00 C ATOM 0 H1 ILE A 1 4.342 14.451 -2.341 1.00 0.00 H new ATOM 0 H2 ILE A 1 3.534 12.989 -2.039 1.00 0.00 H new ATOM 0 H3 ILE A 1 5.117 12.972 -2.652 1.00 0.00 H new ATOM 0 HA ILE A 1 2.607 13.235 -3.994 1.00 0.00 H new ATOM 0 HB ILE A 1 3.299 15.590 -4.003 1.00 0.00 H new ATOM 0 HG12 ILE A 1 3.704 14.717 -6.839 1.00 0.00 H new ATOM 0 HG13 ILE A 1 2.269 14.108 -6.038 1.00 0.00 H new ATOM 0 HG21 ILE A 1 5.241 16.347 -5.279 1.00 0.00 H new ATOM 0 HG22 ILE A 1 5.701 15.382 -3.856 1.00 0.00 H new ATOM 0 HG23 ILE A 1 5.766 14.658 -5.480 1.00 0.00 H new ATOM 0 HD11 ILE A 1 1.789 16.237 -7.196 1.00 0.00 H new ATOM 0 HD12 ILE A 1 1.602 16.430 -5.437 1.00 0.00 H new ATOM 0 HD13 ILE A 1 3.059 17.049 -6.250 1.00 0.00 H new ATOM 12 N VAL A 2 3.566 11.257 -4.988 1.00 0.00 N ATOM 13 CA VAL A 2 4.004 10.022 -5.651 1.00 0.00 C ATOM 14 C VAL A 2 2.809 9.082 -5.666 1.00 0.00 C ATOM 15 O VAL A 2 1.787 9.509 -6.154 1.00 0.00 O ATOM 16 CB VAL A 2 5.250 9.451 -4.959 1.00 0.00 C ATOM 17 CG1 VAL A 2 5.186 9.671 -3.433 1.00 0.00 C ATOM 18 CG2 VAL A 2 5.565 8.036 -5.500 1.00 0.00 C ATOM 0 H VAL A 2 2.655 11.167 -4.537 1.00 0.00 H new ATOM 0 HA VAL A 2 4.319 10.194 -6.680 1.00 0.00 H new ATOM 0 HB VAL A 2 6.151 10.006 -5.221 1.00 0.00 H new ATOM 0 HG11 VAL A 2 6.081 9.257 -2.968 1.00 0.00 H new ATOM 0 HG12 VAL A 2 5.128 10.739 -3.221 1.00 0.00 H new ATOM 0 HG13 VAL A 2 4.304 9.173 -3.030 1.00 0.00 H new ATOM 0 HG21 VAL A 2 6.451 7.644 -5.000 1.00 0.00 H new ATOM 0 HG22 VAL A 2 4.719 7.376 -5.308 1.00 0.00 H new ATOM 0 HG23 VAL A 2 5.748 8.089 -6.573 1.00 0.00 H new ATOM 20 N CYS A 3 2.791 8.054 -4.828 1.00 0.00 N ATOM 21 CA CYS A 3 1.796 7.004 -4.932 1.00 0.00 C ATOM 22 C CYS A 3 0.421 7.615 -4.777 1.00 0.00 C ATOM 23 O CYS A 3 0.236 8.378 -3.853 1.00 0.00 O ATOM 24 CB CYS A 3 2.005 6.089 -3.774 1.00 0.00 C ATOM 25 SG CYS A 3 1.699 6.647 -2.067 1.00 0.00 S ATOM 0 H CYS A 3 3.458 7.928 -4.067 1.00 0.00 H new ATOM 0 HA CYS A 3 1.879 6.487 -5.888 1.00 0.00 H new ATOM 0 HB2 CYS A 3 1.376 5.215 -3.941 1.00 0.00 H new ATOM 0 HB3 CYS A 3 3.040 5.750 -3.818 1.00 0.00 H new ATOM 27 N HIS A 4 -0.492 7.189 -5.609 1.00 0.00 N ATOM 28 CA HIS A 4 -1.818 7.812 -5.615 1.00 0.00 C ATOM 29 C HIS A 4 -2.903 6.765 -5.357 1.00 0.00 C ATOM 30 O HIS A 4 -3.808 6.545 -6.165 1.00 0.00 O ATOM 31 CB HIS A 4 -2.067 8.612 -6.902 1.00 0.00 C ATOM 32 CG HIS A 4 -1.118 9.786 -7.153 1.00 0.00 C ATOM 33 ND1 HIS A 4 -0.250 9.830 -8.146 1.00 0.00 N ATOM 34 CD2 HIS A 4 -1.051 10.957 -6.532 1.00 0.00 C ATOM 35 CE1 HIS A 4 0.346 11.018 -8.139 1.00 0.00 C ATOM 36 NE2 HIS A 4 -0.143 11.725 -7.126 1.00 0.00 N ATOM 0 H HIS A 4 -0.362 6.433 -6.281 1.00 0.00 H new ATOM 0 HA HIS A 4 -1.859 8.534 -4.799 1.00 0.00 H new ATOM 0 HB2 HIS A 4 -2.002 7.930 -7.749 1.00 0.00 H new ATOM 0 HB3 HIS A 4 -3.088 8.994 -6.878 1.00 0.00 H new ATOM 0 HD1 HIS A 4 -0.067 9.077 -8.809 1.00 0.00 H new ATOM 0 HD2 HIS A 4 -1.643 11.242 -5.675 1.00 0.00 H new ATOM 0 HE1 HIS A 4 1.099 11.352 -8.837 1.00 0.00 H new ATOM 39 N THR A 5 -2.690 5.994 -4.301 1.00 0.00 N ATOM 40 CA THR A 5 -3.713 4.974 -4.017 1.00 0.00 C ATOM 41 C THR A 5 -3.986 4.774 -2.548 1.00 0.00 C ATOM 42 O THR A 5 -4.669 5.616 -1.984 1.00 0.00 O ATOM 43 CB THR A 5 -3.577 3.609 -4.668 1.00 0.00 C ATOM 44 OG1 THR A 5 -3.017 3.673 -5.951 1.00 0.00 O ATOM 45 CG2 THR A 5 -5.013 3.174 -4.915 1.00 0.00 C ATOM 0 H THR A 5 -1.892 6.036 -3.668 1.00 0.00 H new ATOM 0 HA THR A 5 -4.560 5.450 -4.512 1.00 0.00 H new ATOM 0 HB THR A 5 -2.960 2.969 -4.037 1.00 0.00 H new ATOM 0 HG1 THR A 5 -3.702 3.456 -6.618 1.00 0.00 H new ATOM 0 HG21 THR A 5 -5.019 2.191 -5.387 1.00 0.00 H new ATOM 0 HG22 THR A 5 -5.547 3.125 -3.966 1.00 0.00 H new ATOM 0 HG23 THR A 5 -5.504 3.894 -5.570 1.00 0.00 H new ATOM 48 N THR A 6 -3.468 3.665 -2.033 1.00 0.00 N ATOM 49 CA THR A 6 -3.650 3.331 -0.627 1.00 0.00 C ATOM 50 C THR A 6 -2.579 4.096 0.046 1.00 0.00 C ATOM 51 O THR A 6 -2.327 5.240 -0.427 1.00 0.00 O ATOM 52 CB THR A 6 -3.559 1.831 -0.392 1.00 0.00 C ATOM 53 OG1 THR A 6 -3.414 1.145 -1.617 1.00 0.00 O ATOM 54 CG2 THR A 6 -4.696 1.275 0.439 1.00 0.00 C ATOM 0 H THR A 6 -2.922 2.986 -2.564 1.00 0.00 H new ATOM 0 HA THR A 6 -4.636 3.591 -0.241 1.00 0.00 H new ATOM 0 HB THR A 6 -2.664 1.663 0.207 1.00 0.00 H new ATOM 0 HG1 THR A 6 -4.285 0.800 -1.904 1.00 0.00 H new ATOM 0 HG21 THR A 6 -4.563 0.200 0.564 1.00 0.00 H new ATOM 0 HG22 THR A 6 -4.701 1.757 1.417 1.00 0.00 H new ATOM 0 HG23 THR A 6 -5.643 1.467 -0.065 1.00 0.00 H new ATOM 57 N ALA A 7 -2.355 3.821 1.362 1.00 0.00 N ATOM 58 CA ALA A 7 -1.479 4.584 2.240 1.00 0.00 C ATOM 59 C ALA A 7 -2.158 4.999 3.524 1.00 0.00 C ATOM 60 O ALA A 7 -2.499 6.192 3.670 1.00 0.00 O ATOM 61 CB ALA A 7 -0.759 5.854 1.661 1.00 0.00 C ATOM 0 H ALA A 7 -2.801 3.036 1.836 1.00 0.00 H new ATOM 0 HA ALA A 7 -0.695 3.844 2.401 1.00 0.00 H new ATOM 0 HB1 ALA A 7 -0.145 6.310 2.438 1.00 0.00 H new ATOM 0 HB2 ALA A 7 -0.127 5.563 0.822 1.00 0.00 H new ATOM 0 HB3 ALA A 7 -1.505 6.572 1.321 1.00 0.00 H new ATOM 63 N THR A 8 -2.468 4.007 4.367 1.00 0.00 N ATOM 64 CA THR A 8 -3.160 4.237 5.666 1.00 0.00 C ATOM 65 C THR A 8 -4.638 4.393 5.433 1.00 0.00 C ATOM 66 O THR A 8 -5.121 5.515 5.574 1.00 0.00 O ATOM 67 CB THR A 8 -2.601 5.539 6.308 1.00 0.00 C ATOM 68 OG1 THR A 8 -1.183 5.553 6.163 1.00 0.00 O ATOM 69 CG2 THR A 8 -2.976 5.756 7.772 1.00 0.00 C ATOM 0 H THR A 8 -2.254 3.027 4.182 1.00 0.00 H new ATOM 0 HA THR A 8 -2.989 3.389 6.329 1.00 0.00 H new ATOM 0 HB THR A 8 -3.071 6.364 5.773 1.00 0.00 H new ATOM 0 HG1 THR A 8 -0.821 6.371 6.563 1.00 0.00 H new ATOM 0 HG21 THR A 8 -2.538 6.690 8.125 1.00 0.00 H new ATOM 0 HG22 THR A 8 -4.061 5.805 7.866 1.00 0.00 H new ATOM 0 HG23 THR A 8 -2.597 4.928 8.371 1.00 0.00 H new ATOM 72 N SER A 9 -5.329 3.299 4.895 1.00 0.00 N ATOM 73 CA SER A 9 -6.752 3.196 4.564 1.00 0.00 C ATOM 74 C SER A 9 -7.107 3.214 3.030 1.00 0.00 C ATOM 75 O SER A 9 -6.210 2.711 2.295 1.00 0.00 O ATOM 76 CB SER A 9 -7.552 4.249 5.380 1.00 0.00 C ATOM 77 OG SER A 9 -7.546 5.464 4.601 1.00 0.00 O ATOM 0 H SER A 9 -4.837 2.431 4.683 1.00 0.00 H new ATOM 0 HA SER A 9 -7.058 2.192 4.859 1.00 0.00 H new ATOM 0 HB2 SER A 9 -8.572 3.908 5.559 1.00 0.00 H new ATOM 0 HB3 SER A 9 -7.095 4.412 6.356 1.00 0.00 H new ATOM 0 HG SER A 9 -6.709 5.950 4.759 1.00 0.00 H new ATOM 80 N PRO A 10 -8.221 3.675 2.470 1.00 0.00 N ATOM 81 CA PRO A 10 -8.444 3.907 1.018 1.00 0.00 C ATOM 82 C PRO A 10 -7.727 5.129 0.447 1.00 0.00 C ATOM 83 O PRO A 10 -7.397 5.128 -0.746 1.00 0.00 O ATOM 84 CB PRO A 10 -9.950 4.065 0.825 1.00 0.00 C ATOM 85 CG PRO A 10 -10.416 4.654 2.151 1.00 0.00 C ATOM 86 CD PRO A 10 -9.569 3.837 3.109 1.00 0.00 C ATOM 0 HA PRO A 10 -8.027 3.058 0.477 1.00 0.00 H new ATOM 0 HB2 PRO A 10 -10.181 4.725 -0.011 1.00 0.00 H new ATOM 0 HB3 PRO A 10 -10.431 3.109 0.619 1.00 0.00 H new ATOM 0 HG2 PRO A 10 -10.217 5.723 2.226 1.00 0.00 H new ATOM 0 HG3 PRO A 10 -11.484 4.516 2.317 1.00 0.00 H new ATOM 0 HD2 PRO A 10 -9.482 4.340 4.072 1.00 0.00 H new ATOM 0 HD3 PRO A 10 -10.027 2.866 3.297 1.00 0.00 H new ATOM 87 N ILE A 11 -7.442 6.117 1.305 1.00 0.00 N ATOM 88 CA ILE A 11 -6.582 7.299 0.981 1.00 0.00 C ATOM 89 C ILE A 11 -7.270 7.959 -0.199 1.00 0.00 C ATOM 90 O ILE A 11 -8.496 7.868 -0.297 1.00 0.00 O ATOM 91 CB ILE A 11 -5.135 6.912 0.595 1.00 0.00 C ATOM 92 CG1 ILE A 11 -4.839 5.538 1.106 1.00 0.00 C ATOM 93 CG2 ILE A 11 -4.002 7.787 1.126 1.00 0.00 C ATOM 94 CD1 ILE A 11 -4.977 5.356 2.586 1.00 0.00 C ATOM 0 H ILE A 11 -7.799 6.133 2.260 1.00 0.00 H new ATOM 0 HA ILE A 11 -6.483 7.948 1.851 1.00 0.00 H new ATOM 0 HB ILE A 11 -5.140 7.022 -0.489 1.00 0.00 H new ATOM 0 HG12 ILE A 11 -5.504 4.833 0.607 1.00 0.00 H new ATOM 0 HG13 ILE A 11 -3.821 5.274 0.819 1.00 0.00 H new ATOM 0 HG21 ILE A 11 -3.046 7.397 0.776 1.00 0.00 H new ATOM 0 HG22 ILE A 11 -4.131 8.808 0.766 1.00 0.00 H new ATOM 0 HG23 ILE A 11 -4.019 7.782 2.216 1.00 0.00 H new ATOM 0 HD11 ILE A 11 -4.740 4.325 2.849 1.00 0.00 H new ATOM 0 HD12 ILE A 11 -4.291 6.029 3.101 1.00 0.00 H new ATOM 0 HD13 ILE A 11 -6.000 5.581 2.886 1.00 0.00 H new ATOM 96 N SER A 12 -6.508 8.657 -1.021 1.00 0.00 N ATOM 97 CA SER A 12 -7.119 9.329 -2.183 1.00 0.00 C ATOM 98 C SER A 12 -6.082 9.968 -3.081 1.00 0.00 C ATOM 99 O SER A 12 -6.217 11.138 -3.442 1.00 0.00 O ATOM 100 CB SER A 12 -8.075 10.413 -1.673 1.00 0.00 C ATOM 101 OG SER A 12 -9.277 10.327 -2.428 1.00 0.00 O ATOM 0 H SER A 12 -5.500 8.779 -0.924 1.00 0.00 H new ATOM 0 HA SER A 12 -7.649 8.579 -2.770 1.00 0.00 H new ATOM 0 HB2 SER A 12 -8.280 10.272 -0.612 1.00 0.00 H new ATOM 0 HB3 SER A 12 -7.626 11.400 -1.782 1.00 0.00 H new ATOM 0 HG SER A 12 -9.907 11.011 -2.119 1.00 0.00 H new ATOM 104 N ALA A 13 -4.953 9.276 -3.230 1.00 0.00 N ATOM 105 CA ALA A 13 -3.807 9.772 -3.995 1.00 0.00 C ATOM 106 C ALA A 13 -2.748 10.264 -3.027 1.00 0.00 C ATOM 107 O ALA A 13 -1.653 9.836 -3.288 1.00 0.00 O ATOM 108 CB ALA A 13 -4.008 10.839 -5.086 1.00 0.00 C ATOM 0 H ALA A 13 -4.806 8.353 -2.823 1.00 0.00 H new ATOM 0 HA ALA A 13 -3.529 8.895 -4.579 1.00 0.00 H new ATOM 0 HB1 ALA A 13 -3.047 11.079 -5.541 1.00 0.00 H new ATOM 0 HB2 ALA A 13 -4.685 10.456 -5.849 1.00 0.00 H new ATOM 0 HB3 ALA A 13 -4.434 11.738 -4.641 1.00 0.00 H new ATOM 110 N VAL A 14 -3.163 10.819 -1.875 1.00 0.00 N ATOM 111 CA VAL A 14 -2.299 11.369 -0.781 1.00 0.00 C ATOM 112 C VAL A 14 -0.890 11.440 -1.193 1.00 0.00 C ATOM 113 O VAL A 14 -0.589 12.510 -1.750 1.00 0.00 O ATOM 114 CB VAL A 14 -2.482 10.718 0.606 1.00 0.00 C ATOM 115 CG1 VAL A 14 -1.524 11.276 1.673 1.00 0.00 C ATOM 116 CG2 VAL A 14 -3.902 11.047 1.049 1.00 0.00 C ATOM 0 H VAL A 14 -4.156 10.907 -1.657 1.00 0.00 H new ATOM 0 HA VAL A 14 -2.661 12.386 -0.628 1.00 0.00 H new ATOM 0 HB VAL A 14 -2.278 9.651 0.515 1.00 0.00 H new ATOM 0 HG11 VAL A 14 -1.706 10.775 2.624 1.00 0.00 H new ATOM 0 HG12 VAL A 14 -0.493 11.102 1.363 1.00 0.00 H new ATOM 0 HG13 VAL A 14 -1.692 12.347 1.789 1.00 0.00 H new ATOM 0 HG21 VAL A 14 -4.088 10.609 2.030 1.00 0.00 H new ATOM 0 HG22 VAL A 14 -4.024 12.129 1.106 1.00 0.00 H new ATOM 0 HG23 VAL A 14 -4.611 10.639 0.329 1.00 0.00 H new ATOM 118 N THR A 15 -0.213 10.266 -1.143 1.00 0.00 N ATOM 119 CA THR A 15 1.092 9.980 -1.689 1.00 0.00 C ATOM 120 C THR A 15 2.050 9.816 -0.530 1.00 0.00 C ATOM 121 O THR A 15 3.218 10.164 -0.682 1.00 0.00 O ATOM 122 CB THR A 15 1.705 11.024 -2.636 1.00 0.00 C ATOM 123 OG1 THR A 15 1.945 12.235 -1.921 1.00 0.00 O ATOM 124 CG2 THR A 15 0.864 11.298 -3.877 1.00 0.00 C ATOM 0 H THR A 15 -0.614 9.450 -0.681 1.00 0.00 H new ATOM 0 HA THR A 15 0.944 9.090 -2.301 1.00 0.00 H new ATOM 0 HB THR A 15 2.643 10.605 -2.999 1.00 0.00 H new ATOM 0 HG1 THR A 15 1.129 12.777 -1.913 1.00 0.00 H new ATOM 0 HG21 THR A 15 1.361 12.045 -4.496 1.00 0.00 H new ATOM 0 HG22 THR A 15 0.744 10.376 -4.446 1.00 0.00 H new ATOM 0 HG23 THR A 15 -0.116 11.669 -3.578 1.00 0.00 H new ATOM 127 N CYS A 16 1.511 9.291 0.570 1.00 0.00 N ATOM 128 CA CYS A 16 2.279 9.013 1.787 1.00 0.00 C ATOM 129 C CYS A 16 2.776 10.327 2.427 1.00 0.00 C ATOM 130 O CYS A 16 2.150 11.355 2.193 1.00 0.00 O ATOM 131 CB CYS A 16 3.385 8.121 1.280 1.00 0.00 C ATOM 132 SG CYS A 16 4.994 8.859 0.796 1.00 0.00 S ATOM 0 H CYS A 16 0.524 9.045 0.644 1.00 0.00 H new ATOM 0 HA CYS A 16 1.714 8.535 2.587 1.00 0.00 H new ATOM 0 HB2 CYS A 16 3.586 7.379 2.053 1.00 0.00 H new ATOM 0 HB3 CYS A 16 2.999 7.583 0.414 1.00 0.00 H new ATOM 134 N PRO A 17 3.829 10.289 3.266 1.00 0.00 N ATOM 135 CA PRO A 17 4.386 11.514 3.840 1.00 0.00 C ATOM 136 C PRO A 17 5.278 12.274 2.827 1.00 0.00 C ATOM 137 O PRO A 17 4.883 12.304 1.633 1.00 0.00 O ATOM 138 CB PRO A 17 4.959 10.916 5.150 1.00 0.00 C ATOM 139 CG PRO A 17 5.623 9.637 4.709 1.00 0.00 C ATOM 140 CD PRO A 17 4.408 9.126 3.977 1.00 0.00 C ATOM 0 HA PRO A 17 3.736 12.357 4.072 1.00 0.00 H new ATOM 0 HB2 PRO A 17 5.672 11.594 5.620 1.00 0.00 H new ATOM 0 HB3 PRO A 17 4.172 10.726 5.879 1.00 0.00 H new ATOM 0 HG2 PRO A 17 6.492 9.789 4.069 1.00 0.00 H new ATOM 0 HG3 PRO A 17 5.942 8.999 5.533 1.00 0.00 H new ATOM 0 HD2 PRO A 17 4.680 8.338 3.275 1.00 0.00 H new ATOM 0 HD3 PRO A 17 3.687 8.698 4.673 1.00 0.00 H new ATOM 141 N PRO A 18 6.340 12.988 3.197 1.00 0.00 N ATOM 142 CA PRO A 18 7.176 13.749 2.260 1.00 0.00 C ATOM 143 C PRO A 18 8.011 12.780 1.413 1.00 0.00 C ATOM 144 O PRO A 18 7.477 12.112 0.536 1.00 0.00 O ATOM 145 CB PRO A 18 7.957 14.747 3.130 1.00 0.00 C ATOM 146 CG PRO A 18 8.134 14.042 4.474 1.00 0.00 C ATOM 147 CD PRO A 18 6.858 13.238 4.578 1.00 0.00 C ATOM 0 HA PRO A 18 6.624 14.321 1.515 1.00 0.00 H new ATOM 0 HB2 PRO A 18 8.920 14.992 2.682 1.00 0.00 H new ATOM 0 HB3 PRO A 18 7.411 15.684 3.244 1.00 0.00 H new ATOM 0 HG2 PRO A 18 9.019 13.406 4.488 1.00 0.00 H new ATOM 0 HG3 PRO A 18 8.238 14.751 5.296 1.00 0.00 H new ATOM 0 HD2 PRO A 18 7.046 12.294 5.089 1.00 0.00 H new ATOM 0 HD3 PRO A 18 6.117 13.778 5.168 1.00 0.00 H new ATOM 148 N GLY A 19 9.328 12.719 1.692 1.00 0.00 N ATOM 149 CA GLY A 19 10.274 11.929 0.882 1.00 0.00 C ATOM 150 C GLY A 19 10.484 12.507 -0.527 1.00 0.00 C ATOM 151 O GLY A 19 11.534 12.295 -1.128 1.00 0.00 O ATOM 0 H GLY A 19 9.761 13.209 2.475 1.00 0.00 H new ATOM 0 HA2 GLY A 19 11.234 11.882 1.397 1.00 0.00 H new ATOM 0 HA3 GLY A 19 9.907 10.906 0.798 1.00 0.00 H new ATOM 153 N GLU A 20 9.518 13.313 -0.991 1.00 0.00 N ATOM 154 CA GLU A 20 9.525 14.052 -2.266 1.00 0.00 C ATOM 155 C GLU A 20 9.530 13.040 -3.410 1.00 0.00 C ATOM 156 O GLU A 20 10.549 12.917 -4.082 1.00 0.00 O ATOM 157 CB GLU A 20 10.753 14.982 -2.406 1.00 0.00 C ATOM 158 CG GLU A 20 10.965 15.991 -1.280 1.00 0.00 C ATOM 159 CD GLU A 20 11.529 15.357 -0.001 1.00 0.00 C ATOM 160 OE1 GLU A 20 12.746 15.020 -0.018 1.00 0.00 O ATOM 161 OE2 GLU A 20 10.758 15.216 0.955 1.00 0.00 O ATOM 0 H GLU A 20 8.663 13.477 -0.459 1.00 0.00 H new ATOM 0 HA GLU A 20 8.637 14.683 -2.295 1.00 0.00 H new ATOM 0 HB2 GLU A 20 11.646 14.362 -2.483 1.00 0.00 H new ATOM 0 HB3 GLU A 20 10.663 15.529 -3.344 1.00 0.00 H new ATOM 0 HG2 GLU A 20 11.645 16.771 -1.622 1.00 0.00 H new ATOM 0 HG3 GLU A 20 10.016 16.475 -1.050 1.00 0.00 H new ATOM 163 N ASN A 21 8.435 12.273 -3.503 1.00 0.00 N ATOM 164 CA ASN A 21 8.237 11.145 -4.443 1.00 0.00 C ATOM 165 C ASN A 21 8.514 9.868 -3.621 1.00 0.00 C ATOM 166 O ASN A 21 9.181 9.943 -2.593 1.00 0.00 O ATOM 167 CB ASN A 21 9.082 11.162 -5.734 1.00 0.00 C ATOM 168 CG ASN A 21 10.389 10.338 -5.688 1.00 0.00 C ATOM 169 OD1 ASN A 21 11.106 10.318 -4.566 1.00 0.00 O flip ATOM 170 ND2 ASN A 21 10.614 9.510 -6.533 1.00 0.00 N flip ATOM 0 H ASN A 21 7.624 12.423 -2.902 1.00 0.00 H new ATOM 0 HA ASN A 21 7.221 11.210 -4.833 1.00 0.00 H new ATOM 0 HB2 ASN A 21 8.468 10.790 -6.554 1.00 0.00 H new ATOM 0 HB3 ASN A 21 9.334 12.196 -5.968 1.00 0.00 H new ATOM 0 HD21 ASN A 21 10.077 9.507 -7.400 1.00 0.00 H new ATOM 0 HD22 ASN A 21 11.342 8.812 -6.382 1.00 0.00 H new ATOM 174 N LEU A 22 7.987 8.758 -4.096 1.00 0.00 N ATOM 175 CA LEU A 22 8.107 7.413 -3.500 1.00 0.00 C ATOM 176 C LEU A 22 7.027 7.168 -2.454 1.00 0.00 C ATOM 177 O LEU A 22 6.704 7.999 -1.611 1.00 0.00 O ATOM 178 CB LEU A 22 9.499 7.198 -2.904 1.00 0.00 C ATOM 179 CG LEU A 22 9.990 5.785 -3.068 1.00 0.00 C ATOM 180 CD1 LEU A 22 11.514 5.756 -3.117 1.00 0.00 C ATOM 181 CD2 LEU A 22 9.463 5.003 -1.898 1.00 0.00 C ATOM 0 H LEU A 22 7.432 8.753 -4.952 1.00 0.00 H new ATOM 0 HA LEU A 22 7.964 6.687 -4.301 1.00 0.00 H new ATOM 0 HB2 LEU A 22 10.203 7.880 -3.381 1.00 0.00 H new ATOM 0 HB3 LEU A 22 9.479 7.450 -1.844 1.00 0.00 H new ATOM 0 HG LEU A 22 9.638 5.348 -4.003 1.00 0.00 H new ATOM 0 HD11 LEU A 22 11.855 4.727 -3.236 1.00 0.00 H new ATOM 0 HD12 LEU A 22 11.862 6.353 -3.960 1.00 0.00 H new ATOM 0 HD13 LEU A 22 11.916 6.166 -2.191 1.00 0.00 H new ATOM 0 HD21 LEU A 22 9.795 3.967 -1.974 1.00 0.00 H new ATOM 0 HD22 LEU A 22 9.838 5.437 -0.971 1.00 0.00 H new ATOM 0 HD23 LEU A 22 8.374 5.036 -1.899 1.00 0.00 H new ATOM 183 N CYS A 23 6.638 5.908 -2.440 1.00 0.00 N ATOM 184 CA CYS A 23 5.632 5.426 -1.524 1.00 0.00 C ATOM 185 C CYS A 23 5.791 3.975 -1.179 1.00 0.00 C ATOM 186 O CYS A 23 5.525 3.111 -2.007 1.00 0.00 O ATOM 187 CB CYS A 23 4.239 5.626 -2.055 1.00 0.00 C ATOM 188 SG CYS A 23 3.594 7.326 -1.991 1.00 0.00 S ATOM 0 H CYS A 23 7.012 5.193 -3.064 1.00 0.00 H new ATOM 0 HA CYS A 23 5.778 6.021 -0.623 1.00 0.00 H new ATOM 0 HB2 CYS A 23 4.215 5.289 -3.091 1.00 0.00 H new ATOM 0 HB3 CYS A 23 3.562 4.981 -1.494 1.00 0.00 H new ATOM 190 N TYR A 24 6.285 3.761 0.033 1.00 0.00 N ATOM 191 CA TYR A 24 6.516 2.396 0.506 1.00 0.00 C ATOM 192 C TYR A 24 5.174 1.664 0.364 1.00 0.00 C ATOM 193 O TYR A 24 4.154 2.132 0.875 1.00 0.00 O ATOM 194 CB TYR A 24 7.051 2.487 1.932 1.00 0.00 C ATOM 195 CG TYR A 24 6.061 2.299 3.104 1.00 0.00 C ATOM 196 CD1 TYR A 24 5.149 1.284 3.125 1.00 0.00 C ATOM 197 CD2 TYR A 24 6.043 3.202 4.120 1.00 0.00 C ATOM 198 CE1 TYR A 24 4.185 1.179 4.095 1.00 0.00 C ATOM 199 CE2 TYR A 24 5.039 3.162 5.077 1.00 0.00 C ATOM 200 CZ TYR A 24 4.123 2.131 5.073 1.00 0.00 C ATOM 201 OH TYR A 24 3.188 2.146 6.035 1.00 0.00 O ATOM 0 H TYR A 24 6.530 4.495 0.697 1.00 0.00 H new ATOM 0 HA TYR A 24 7.259 1.834 -0.060 1.00 0.00 H new ATOM 0 HB2 TYR A 24 7.838 1.740 2.039 1.00 0.00 H new ATOM 0 HB3 TYR A 24 7.521 3.464 2.048 1.00 0.00 H new ATOM 0 HD1 TYR A 24 5.188 0.535 2.348 1.00 0.00 H new ATOM 0 HD2 TYR A 24 6.815 3.955 4.183 1.00 0.00 H new ATOM 0 HE1 TYR A 24 3.485 0.356 4.086 1.00 0.00 H new ATOM 0 HE2 TYR A 24 4.975 3.938 5.825 1.00 0.00 H new ATOM 0 HH TYR A 24 3.337 2.915 6.624 1.00 0.00 H new ATOM 208 N ARG A 25 5.202 0.594 -0.396 1.00 0.00 N ATOM 209 CA ARG A 25 4.036 -0.284 -0.469 1.00 0.00 C ATOM 210 C ARG A 25 4.320 -1.545 0.325 1.00 0.00 C ATOM 211 O ARG A 25 5.299 -2.234 0.084 1.00 0.00 O ATOM 212 CB ARG A 25 3.604 -0.569 -1.905 1.00 0.00 C ATOM 213 CG ARG A 25 2.806 -1.880 -2.024 1.00 0.00 C ATOM 214 CD ARG A 25 2.008 -1.904 -3.305 1.00 0.00 C ATOM 215 NE ARG A 25 1.896 -3.264 -3.832 1.00 0.00 N ATOM 216 CZ ARG A 25 1.439 -3.537 -5.045 1.00 0.00 C ATOM 217 NH1 ARG A 25 1.005 -2.585 -5.861 1.00 0.00 N ATOM 218 NH2 ARG A 25 1.435 -4.794 -5.460 1.00 0.00 N ATOM 0 H ARG A 25 5.998 0.306 -0.966 1.00 0.00 H new ATOM 0 HA ARG A 25 3.181 0.224 -0.022 1.00 0.00 H new ATOM 0 HB2 ARG A 25 2.996 0.259 -2.271 1.00 0.00 H new ATOM 0 HB3 ARG A 25 4.486 -0.623 -2.544 1.00 0.00 H new ATOM 0 HG2 ARG A 25 3.488 -2.730 -1.998 1.00 0.00 H new ATOM 0 HG3 ARG A 25 2.136 -1.983 -1.170 1.00 0.00 H new ATOM 0 HD2 ARG A 25 1.013 -1.498 -3.124 1.00 0.00 H new ATOM 0 HD3 ARG A 25 2.485 -1.262 -4.046 1.00 0.00 H new ATOM 0 HE ARG A 25 2.184 -4.040 -3.236 1.00 0.00 H new ATOM 0 HH11 ARG A 25 1.017 -1.611 -5.560 1.00 0.00 H new ATOM 0 HH12 ARG A 25 0.659 -2.828 -6.789 1.00 0.00 H new ATOM 0 HH21 ARG A 25 1.780 -5.534 -4.849 1.00 0.00 H new ATOM 0 HH22 ARG A 25 1.087 -5.023 -6.391 1.00 0.00 H new ATOM 225 N LYS A 26 3.401 -1.825 1.217 1.00 0.00 N ATOM 226 CA LYS A 26 3.468 -3.072 1.982 1.00 0.00 C ATOM 227 C LYS A 26 2.036 -3.508 2.251 1.00 0.00 C ATOM 228 O LYS A 26 1.132 -2.678 2.156 1.00 0.00 O ATOM 229 CB LYS A 26 4.266 -2.745 3.241 1.00 0.00 C ATOM 230 CG LYS A 26 4.465 -3.985 4.091 1.00 0.00 C ATOM 231 CD LYS A 26 5.595 -3.839 5.093 1.00 0.00 C ATOM 232 CE LYS A 26 5.711 -5.020 6.037 1.00 0.00 C ATOM 233 NZ LYS A 26 6.400 -4.641 7.255 1.00 0.00 N ATOM 0 H LYS A 26 2.606 -1.226 1.438 1.00 0.00 H new ATOM 0 HA LYS A 26 3.961 -3.900 1.473 1.00 0.00 H new ATOM 0 HB2 LYS A 26 5.235 -2.329 2.965 1.00 0.00 H new ATOM 0 HB3 LYS A 26 3.745 -1.982 3.819 1.00 0.00 H new ATOM 0 HG2 LYS A 26 3.540 -4.206 4.624 1.00 0.00 H new ATOM 0 HG3 LYS A 26 4.670 -4.836 3.441 1.00 0.00 H new ATOM 0 HD2 LYS A 26 6.535 -3.718 4.555 1.00 0.00 H new ATOM 0 HD3 LYS A 26 5.441 -2.930 5.675 1.00 0.00 H new ATOM 0 HE2 LYS A 26 4.717 -5.397 6.279 1.00 0.00 H new ATOM 0 HE3 LYS A 26 6.249 -5.831 5.547 1.00 0.00 H new ATOM 0 HZ1 LYS A 26 7.079 -5.385 7.516 1.00 0.00 H new ATOM 0 HZ2 LYS A 26 6.908 -3.747 7.102 1.00 0.00 H new ATOM 0 HZ3 LYS A 26 5.708 -4.519 8.022 1.00 0.00 H new ATOM 238 N MET A 27 1.864 -4.795 2.496 1.00 0.00 N ATOM 239 CA MET A 27 0.587 -5.458 2.808 1.00 0.00 C ATOM 240 C MET A 27 -0.235 -5.672 1.555 1.00 0.00 C ATOM 241 O MET A 27 0.117 -5.141 0.502 1.00 0.00 O ATOM 242 CB MET A 27 -0.095 -4.624 3.896 1.00 0.00 C ATOM 243 CG MET A 27 -1.181 -5.279 4.722 1.00 0.00 C ATOM 244 SD MET A 27 -0.630 -6.460 5.985 1.00 0.00 S ATOM 245 CE MET A 27 -0.545 -7.809 4.842 1.00 0.00 C ATOM 0 H MET A 27 2.646 -5.450 2.485 1.00 0.00 H new ATOM 0 HA MET A 27 0.730 -6.466 3.197 1.00 0.00 H new ATOM 0 HB2 MET A 27 0.678 -4.273 4.580 1.00 0.00 H new ATOM 0 HB3 MET A 27 -0.524 -3.742 3.420 1.00 0.00 H new ATOM 0 HG2 MET A 27 -1.756 -4.495 5.215 1.00 0.00 H new ATOM 0 HG3 MET A 27 -1.861 -5.795 4.045 1.00 0.00 H new ATOM 0 HE1 MET A 27 -0.607 -8.751 5.386 1.00 0.00 H new ATOM 0 HE2 MET A 27 -1.374 -7.742 4.137 1.00 0.00 H new ATOM 0 HE3 MET A 27 0.398 -7.766 4.298 1.00 0.00 H new ATOM 247 N TRP A 28 -1.240 -6.536 1.701 1.00 0.00 N ATOM 248 CA TRP A 28 -2.151 -6.938 0.604 1.00 0.00 C ATOM 249 C TRP A 28 -2.996 -8.142 0.958 1.00 0.00 C ATOM 250 O TRP A 28 -4.221 -8.123 0.844 1.00 0.00 O ATOM 251 CB TRP A 28 -1.455 -7.227 -0.730 1.00 0.00 C ATOM 252 CG TRP A 28 -2.189 -6.663 -1.955 1.00 0.00 C ATOM 253 CD1 TRP A 28 -3.393 -6.112 -2.017 1.00 0.00 C ATOM 254 CD2 TRP A 28 -1.711 -6.758 -3.248 1.00 0.00 C ATOM 255 NE1 TRP A 28 -3.708 -5.866 -3.283 1.00 0.00 N ATOM 256 CE2 TRP A 28 -2.714 -6.262 -4.065 1.00 0.00 C ATOM 257 CE3 TRP A 28 -0.521 -7.227 -3.785 1.00 0.00 C ATOM 258 CZ2 TRP A 28 -2.536 -6.248 -5.448 1.00 0.00 C ATOM 259 CZ3 TRP A 28 -0.371 -7.264 -5.169 1.00 0.00 C ATOM 260 CH2 TRP A 28 -1.374 -6.771 -5.991 1.00 0.00 C ATOM 0 H TRP A 28 -1.455 -6.987 2.590 1.00 0.00 H new ATOM 0 HA TRP A 28 -2.781 -6.058 0.476 1.00 0.00 H new ATOM 0 HB2 TRP A 28 -0.448 -6.811 -0.700 1.00 0.00 H new ATOM 0 HB3 TRP A 28 -1.351 -8.306 -0.847 1.00 0.00 H new ATOM 0 HD1 TRP A 28 -4.022 -5.896 -1.166 1.00 0.00 H new ATOM 0 HE1 TRP A 28 -4.578 -5.440 -3.603 1.00 0.00 H new ATOM 0 HE3 TRP A 28 0.278 -7.559 -3.139 1.00 0.00 H new ATOM 0 HZ2 TRP A 28 -3.298 -5.833 -6.091 1.00 0.00 H new ATOM 0 HZ3 TRP A 28 0.527 -7.677 -5.603 1.00 0.00 H new ATOM 0 HH2 TRP A 28 -1.248 -6.795 -7.063 1.00 0.00 H new ATOM 268 N CYS A 29 -2.322 -9.053 1.638 1.00 0.00 N ATOM 269 CA CYS A 29 -2.963 -10.273 2.085 1.00 0.00 C ATOM 270 C CYS A 29 -2.920 -10.262 3.594 1.00 0.00 C ATOM 271 O CYS A 29 -2.127 -11.007 4.181 1.00 0.00 O ATOM 272 CB CYS A 29 -2.258 -11.562 1.482 1.00 0.00 C ATOM 273 SG CYS A 29 -2.754 -12.871 2.452 1.00 0.00 S ATOM 0 H CYS A 29 -1.337 -8.970 1.891 1.00 0.00 H new ATOM 0 HA CYS A 29 -3.994 -10.315 1.734 1.00 0.00 H new ATOM 0 HB2 CYS A 29 -2.549 -11.715 0.443 1.00 0.00 H new ATOM 0 HB3 CYS A 29 -1.173 -11.455 1.497 1.00 0.00 H new ATOM 275 N ASP A 30 -3.510 -9.243 4.214 1.00 0.00 N ATOM 276 CA ASP A 30 -3.670 -9.129 5.687 1.00 0.00 C ATOM 277 C ASP A 30 -2.689 -9.997 6.510 1.00 0.00 C ATOM 278 O ASP A 30 -1.590 -9.580 6.841 1.00 0.00 O ATOM 279 CB ASP A 30 -5.080 -9.534 6.057 1.00 0.00 C ATOM 280 CG ASP A 30 -6.206 -9.553 5.005 1.00 0.00 C ATOM 281 OD1 ASP A 30 -6.157 -10.463 4.179 1.00 0.00 O ATOM 282 OD2 ASP A 30 -7.150 -8.743 5.159 1.00 0.00 O ATOM 0 H ASP A 30 -3.903 -8.449 3.708 1.00 0.00 H new ATOM 0 HA ASP A 30 -3.452 -8.090 5.933 1.00 0.00 H new ATOM 0 HB2 ASP A 30 -5.023 -10.537 6.480 1.00 0.00 H new ATOM 0 HB3 ASP A 30 -5.403 -8.868 6.857 1.00 0.00 H new ATOM 284 N ALA A 31 -3.044 -11.283 6.654 1.00 0.00 N ATOM 285 CA ALA A 31 -2.147 -12.356 7.109 1.00 0.00 C ATOM 286 C ALA A 31 -2.841 -13.728 7.084 1.00 0.00 C ATOM 287 O ALA A 31 -2.301 -14.744 7.500 1.00 0.00 O ATOM 288 CB ALA A 31 -1.649 -12.072 8.531 1.00 0.00 C ATOM 0 H ALA A 31 -3.987 -11.614 6.452 1.00 0.00 H new ATOM 0 HA ALA A 31 -1.303 -12.382 6.419 1.00 0.00 H new ATOM 0 HB1 ALA A 31 -0.987 -12.876 8.852 1.00 0.00 H new ATOM 0 HB2 ALA A 31 -1.106 -11.127 8.544 1.00 0.00 H new ATOM 0 HB3 ALA A 31 -2.500 -12.011 9.209 1.00 0.00 H new ATOM 290 N PHE A 32 -4.076 -13.706 6.610 1.00 0.00 N ATOM 291 CA PHE A 32 -4.960 -14.875 6.623 1.00 0.00 C ATOM 292 C PHE A 32 -5.175 -15.403 5.214 1.00 0.00 C ATOM 293 O PHE A 32 -5.771 -16.470 5.103 1.00 0.00 O ATOM 294 CB PHE A 32 -6.291 -14.527 7.313 1.00 0.00 C ATOM 295 CG PHE A 32 -6.502 -13.026 7.567 1.00 0.00 C ATOM 296 CD1 PHE A 32 -5.729 -12.393 8.535 1.00 0.00 C ATOM 297 CD2 PHE A 32 -7.473 -12.325 6.876 1.00 0.00 C ATOM 298 CE1 PHE A 32 -5.935 -11.055 8.831 1.00 0.00 C ATOM 299 CE2 PHE A 32 -7.704 -10.992 7.189 1.00 0.00 C ATOM 300 CZ PHE A 32 -6.949 -10.358 8.178 1.00 0.00 C ATOM 0 H PHE A 32 -4.502 -12.874 6.201 1.00 0.00 H new ATOM 0 HA PHE A 32 -4.486 -15.671 7.197 1.00 0.00 H new ATOM 0 HB2 PHE A 32 -7.112 -14.898 6.699 1.00 0.00 H new ATOM 0 HB3 PHE A 32 -6.341 -15.055 8.265 1.00 0.00 H new ATOM 0 HD1 PHE A 32 -4.964 -12.947 9.059 1.00 0.00 H new ATOM 0 HD2 PHE A 32 -8.047 -12.810 6.100 1.00 0.00 H new ATOM 0 HE1 PHE A 32 -5.315 -10.557 9.562 1.00 0.00 H new ATOM 0 HE2 PHE A 32 -8.472 -10.443 6.665 1.00 0.00 H new ATOM 0 HZ PHE A 32 -7.151 -9.329 8.436 1.00 0.00 H new ATOM 307 N CYS A 33 -4.791 -14.603 4.197 1.00 0.00 N ATOM 308 CA CYS A 33 -4.988 -14.904 2.762 1.00 0.00 C ATOM 309 C CYS A 33 -6.291 -15.655 2.535 1.00 0.00 C ATOM 310 O CYS A 33 -6.349 -16.696 1.896 1.00 0.00 O ATOM 311 CB CYS A 33 -3.759 -15.669 2.140 1.00 0.00 C ATOM 312 SG CYS A 33 -2.150 -14.893 1.998 1.00 0.00 S ATOM 0 H CYS A 33 -4.325 -13.709 4.354 1.00 0.00 H new ATOM 0 HA CYS A 33 -5.057 -13.950 2.238 1.00 0.00 H new ATOM 0 HB2 CYS A 33 -3.622 -16.578 2.725 1.00 0.00 H new ATOM 0 HB3 CYS A 33 -4.052 -15.977 1.136 1.00 0.00 H new ATOM 314 N SER A 34 -7.317 -15.188 3.273 1.00 0.00 N ATOM 315 CA SER A 34 -8.607 -15.899 3.314 1.00 0.00 C ATOM 316 C SER A 34 -9.496 -15.390 2.185 1.00 0.00 C ATOM 317 O SER A 34 -10.717 -15.495 2.296 1.00 0.00 O ATOM 318 CB SER A 34 -9.305 -15.765 4.684 1.00 0.00 C ATOM 319 OG SER A 34 -10.143 -14.602 4.803 1.00 0.00 O ATOM 0 H SER A 34 -7.279 -14.339 3.837 1.00 0.00 H new ATOM 0 HA SER A 34 -8.419 -16.963 3.173 1.00 0.00 H new ATOM 0 HB2 SER A 34 -9.909 -16.655 4.861 1.00 0.00 H new ATOM 0 HB3 SER A 34 -8.546 -15.735 5.466 1.00 0.00 H new ATOM 0 HG SER A 34 -10.552 -14.584 5.693 1.00 0.00 H new ATOM 322 N SER A 35 -8.848 -14.953 1.093 1.00 0.00 N ATOM 323 CA SER A 35 -9.454 -14.318 -0.097 1.00 0.00 C ATOM 324 C SER A 35 -9.440 -12.796 0.061 1.00 0.00 C ATOM 325 O SER A 35 -8.864 -12.241 1.006 1.00 0.00 O ATOM 326 CB SER A 35 -10.908 -14.768 -0.325 1.00 0.00 C ATOM 327 OG SER A 35 -11.149 -15.302 -1.612 1.00 0.00 O ATOM 0 H SER A 35 -7.835 -15.036 1.008 1.00 0.00 H new ATOM 0 HA SER A 35 -8.859 -14.627 -0.957 1.00 0.00 H new ATOM 0 HB2 SER A 35 -11.167 -15.518 0.423 1.00 0.00 H new ATOM 0 HB3 SER A 35 -11.570 -13.917 -0.166 1.00 0.00 H new ATOM 0 HG SER A 35 -12.089 -15.568 -1.685 1.00 0.00 H new ATOM 330 N ARG A 36 -10.156 -12.146 -0.858 1.00 0.00 N ATOM 331 CA ARG A 36 -10.307 -10.683 -0.894 1.00 0.00 C ATOM 332 C ARG A 36 -8.917 -10.017 -0.965 1.00 0.00 C ATOM 333 O ARG A 36 -8.040 -10.485 -1.691 1.00 0.00 O ATOM 334 CB ARG A 36 -11.092 -10.275 0.360 1.00 0.00 C ATOM 335 CG ARG A 36 -12.461 -10.936 0.541 1.00 0.00 C ATOM 336 CD ARG A 36 -12.945 -10.809 1.988 1.00 0.00 C ATOM 337 NE ARG A 36 -12.560 -9.511 2.583 1.00 0.00 N ATOM 338 CZ ARG A 36 -11.968 -9.351 3.763 1.00 0.00 C ATOM 339 NH1 ARG A 36 -11.736 -10.378 4.568 1.00 0.00 N ATOM 340 NH2 ARG A 36 -11.621 -8.130 4.157 1.00 0.00 N ATOM 0 H ARG A 36 -10.655 -12.623 -1.609 1.00 0.00 H new ATOM 0 HA ARG A 36 -10.853 -10.353 -1.778 1.00 0.00 H new ATOM 0 HB2 ARG A 36 -10.483 -10.502 1.235 1.00 0.00 H new ATOM 0 HB3 ARG A 36 -11.232 -9.194 0.341 1.00 0.00 H new ATOM 0 HG2 ARG A 36 -13.184 -10.472 -0.130 1.00 0.00 H new ATOM 0 HG3 ARG A 36 -12.400 -11.989 0.265 1.00 0.00 H new ATOM 0 HD2 ARG A 36 -14.029 -10.916 2.020 1.00 0.00 H new ATOM 0 HD3 ARG A 36 -12.527 -11.620 2.584 1.00 0.00 H new ATOM 0 HE ARG A 36 -12.765 -8.670 2.044 1.00 0.00 H new ATOM 0 HH11 ARG A 36 -12.013 -11.319 4.287 1.00 0.00 H new ATOM 0 HH12 ARG A 36 -11.280 -10.228 5.468 1.00 0.00 H new ATOM 0 HH21 ARG A 36 -11.809 -7.327 3.556 1.00 0.00 H new ATOM 0 HH22 ARG A 36 -11.166 -7.995 5.060 1.00 0.00 H new ATOM 347 N GLY A 37 -8.705 -9.017 -0.099 1.00 0.00 N ATOM 348 CA GLY A 37 -7.439 -8.277 -0.012 1.00 0.00 C ATOM 349 C GLY A 37 -7.676 -6.783 -0.231 1.00 0.00 C ATOM 350 O GLY A 37 -7.670 -6.279 -1.351 1.00 0.00 O ATOM 0 H GLY A 37 -9.411 -8.697 0.564 1.00 0.00 H new ATOM 0 HA2 GLY A 37 -6.982 -8.439 0.964 1.00 0.00 H new ATOM 0 HA3 GLY A 37 -6.739 -8.653 -0.758 1.00 0.00 H new ATOM 352 N LYS A 38 -8.013 -6.133 0.873 1.00 0.00 N ATOM 353 CA LYS A 38 -8.183 -4.663 0.900 1.00 0.00 C ATOM 354 C LYS A 38 -7.542 -4.056 2.164 1.00 0.00 C ATOM 355 O LYS A 38 -7.779 -2.915 2.555 1.00 0.00 O ATOM 356 CB LYS A 38 -9.686 -4.374 0.827 1.00 0.00 C ATOM 357 CG LYS A 38 -10.010 -2.888 0.648 1.00 0.00 C ATOM 358 CD LYS A 38 -11.304 -2.531 1.385 1.00 0.00 C ATOM 359 CE LYS A 38 -11.061 -1.722 2.666 1.00 0.00 C ATOM 360 NZ LYS A 38 -10.447 -0.420 2.372 1.00 0.00 N ATOM 0 H LYS A 38 -8.177 -6.589 1.770 1.00 0.00 H new ATOM 0 HA LYS A 38 -7.677 -4.201 0.052 1.00 0.00 H new ATOM 0 HB2 LYS A 38 -10.117 -4.935 -0.002 1.00 0.00 H new ATOM 0 HB3 LYS A 38 -10.163 -4.735 1.738 1.00 0.00 H new ATOM 0 HG2 LYS A 38 -9.188 -2.282 1.029 1.00 0.00 H new ATOM 0 HG3 LYS A 38 -10.112 -2.657 -0.412 1.00 0.00 H new ATOM 0 HD2 LYS A 38 -11.950 -1.960 0.718 1.00 0.00 H new ATOM 0 HD3 LYS A 38 -11.837 -3.448 1.637 1.00 0.00 H new ATOM 0 HE2 LYS A 38 -12.007 -1.570 3.187 1.00 0.00 H new ATOM 0 HE3 LYS A 38 -10.414 -2.287 3.337 1.00 0.00 H new ATOM 0 HZ1 LYS A 38 -10.673 0.251 3.134 1.00 0.00 H new ATOM 0 HZ2 LYS A 38 -9.415 -0.530 2.303 1.00 0.00 H new ATOM 0 HZ3 LYS A 38 -10.817 -0.057 1.470 1.00 0.00 H new ATOM 365 N VAL A 39 -6.676 -4.841 2.793 1.00 0.00 N ATOM 366 CA VAL A 39 -6.048 -4.396 4.046 1.00 0.00 C ATOM 367 C VAL A 39 -4.531 -4.338 3.795 1.00 0.00 C ATOM 368 O VAL A 39 -3.817 -5.324 3.885 1.00 0.00 O ATOM 369 CB VAL A 39 -6.526 -5.216 5.268 1.00 0.00 C ATOM 370 CG1 VAL A 39 -7.953 -5.770 5.143 1.00 0.00 C ATOM 371 CG2 VAL A 39 -5.598 -6.312 5.767 1.00 0.00 C ATOM 0 H VAL A 39 -6.393 -5.767 2.472 1.00 0.00 H new ATOM 0 HA VAL A 39 -6.364 -3.392 4.331 1.00 0.00 H new ATOM 0 HB VAL A 39 -6.512 -4.439 6.033 1.00 0.00 H new ATOM 0 HG11 VAL A 39 -8.206 -6.331 6.043 1.00 0.00 H new ATOM 0 HG12 VAL A 39 -8.654 -4.945 5.021 1.00 0.00 H new ATOM 0 HG13 VAL A 39 -8.013 -6.428 4.276 1.00 0.00 H new ATOM 0 HG21 VAL A 39 -6.050 -6.809 6.625 1.00 0.00 H new ATOM 0 HG22 VAL A 39 -5.433 -7.039 4.972 1.00 0.00 H new ATOM 0 HG23 VAL A 39 -4.644 -5.875 6.062 1.00 0.00 H new ATOM 373 N VAL A 40 -4.160 -3.273 3.133 1.00 0.00 N ATOM 374 CA VAL A 40 -2.759 -3.061 2.752 1.00 0.00 C ATOM 375 C VAL A 40 -2.171 -2.002 3.700 1.00 0.00 C ATOM 376 O VAL A 40 -2.775 -1.631 4.704 1.00 0.00 O ATOM 377 CB VAL A 40 -2.617 -2.716 1.265 1.00 0.00 C ATOM 378 CG1 VAL A 40 -2.726 -3.903 0.350 1.00 0.00 C ATOM 379 CG2 VAL A 40 -3.804 -1.921 0.739 1.00 0.00 C ATOM 0 H VAL A 40 -4.796 -2.531 2.840 1.00 0.00 H new ATOM 0 HA VAL A 40 -2.185 -3.981 2.864 1.00 0.00 H new ATOM 0 HB VAL A 40 -1.651 -2.212 1.249 1.00 0.00 H new ATOM 0 HG11 VAL A 40 -2.615 -3.577 -0.684 1.00 0.00 H new ATOM 0 HG12 VAL A 40 -1.942 -4.621 0.590 1.00 0.00 H new ATOM 0 HG13 VAL A 40 -3.701 -4.374 0.479 1.00 0.00 H new ATOM 0 HG21 VAL A 40 -3.655 -1.702 -0.318 1.00 0.00 H new ATOM 0 HG22 VAL A 40 -4.716 -2.504 0.864 1.00 0.00 H new ATOM 0 HG23 VAL A 40 -3.891 -0.987 1.294 1.00 0.00 H new ATOM 381 N GLU A 41 -0.972 -1.592 3.387 1.00 0.00 N ATOM 382 CA GLU A 41 -0.227 -0.631 4.204 1.00 0.00 C ATOM 383 C GLU A 41 0.309 0.500 3.334 1.00 0.00 C ATOM 384 O GLU A 41 0.028 1.622 3.700 1.00 0.00 O ATOM 385 CB GLU A 41 0.858 -1.372 4.977 1.00 0.00 C ATOM 386 CG GLU A 41 1.872 -0.420 5.568 1.00 0.00 C ATOM 387 CD GLU A 41 1.748 0.051 7.004 1.00 0.00 C ATOM 388 OE1 GLU A 41 0.793 0.826 7.305 1.00 0.00 O ATOM 389 OE2 GLU A 41 2.684 -0.300 7.724 1.00 0.00 O ATOM 0 H GLU A 41 -0.469 -1.907 2.558 1.00 0.00 H new ATOM 0 HA GLU A 41 -0.881 -0.159 4.937 1.00 0.00 H new ATOM 0 HB2 GLU A 41 0.401 -1.958 5.774 1.00 0.00 H new ATOM 0 HB3 GLU A 41 1.362 -2.075 4.314 1.00 0.00 H new ATOM 0 HG2 GLU A 41 2.850 -0.891 5.468 1.00 0.00 H new ATOM 0 HG3 GLU A 41 1.881 0.470 4.938 1.00 0.00 H new ATOM 391 N LEU A 42 1.023 0.127 2.248 1.00 0.00 N ATOM 392 CA LEU A 42 1.461 1.026 1.153 1.00 0.00 C ATOM 393 C LEU A 42 1.036 2.484 1.329 1.00 0.00 C ATOM 394 O LEU A 42 0.096 2.932 0.728 1.00 0.00 O ATOM 395 CB LEU A 42 0.950 0.437 -0.167 1.00 0.00 C ATOM 396 CG LEU A 42 -0.524 0.366 -0.567 1.00 0.00 C ATOM 397 CD1 LEU A 42 -0.809 -0.803 -1.505 1.00 0.00 C ATOM 398 CD2 LEU A 42 -1.328 0.135 0.672 1.00 0.00 C ATOM 0 H LEU A 42 1.320 -0.838 2.104 1.00 0.00 H new ATOM 0 HA LEU A 42 2.550 1.070 1.162 1.00 0.00 H new ATOM 0 HB2 LEU A 42 1.452 0.991 -0.960 1.00 0.00 H new ATOM 0 HB3 LEU A 42 1.324 -0.586 -0.207 1.00 0.00 H new ATOM 0 HG LEU A 42 -0.779 1.297 -1.073 1.00 0.00 H new ATOM 0 HD11 LEU A 42 -1.868 -0.813 -1.762 1.00 0.00 H new ATOM 0 HD12 LEU A 42 -0.216 -0.694 -2.413 1.00 0.00 H new ATOM 0 HD13 LEU A 42 -0.546 -1.738 -1.011 1.00 0.00 H new ATOM 0 HD21 LEU A 42 -2.386 0.080 0.414 1.00 0.00 H new ATOM 0 HD22 LEU A 42 -1.019 -0.801 1.137 1.00 0.00 H new ATOM 0 HD23 LEU A 42 -1.166 0.957 1.369 1.00 0.00 H new ATOM 400 N GLY A 43 1.814 3.054 2.261 1.00 0.00 N ATOM 401 CA GLY A 43 1.533 4.236 3.071 1.00 0.00 C ATOM 402 C GLY A 43 2.561 5.330 2.939 1.00 0.00 C ATOM 403 O GLY A 43 2.333 6.448 3.384 1.00 0.00 O ATOM 0 H GLY A 43 2.730 2.663 2.481 1.00 0.00 H new ATOM 0 HA2 GLY A 43 0.558 4.633 2.790 1.00 0.00 H new ATOM 0 HA3 GLY A 43 1.466 3.939 4.118 1.00 0.00 H new ATOM 405 N CYS A 44 3.740 4.838 2.562 1.00 0.00 N ATOM 406 CA CYS A 44 5.020 5.487 2.887 1.00 0.00 C ATOM 407 C CYS A 44 5.095 6.125 4.250 1.00 0.00 C ATOM 408 O CYS A 44 4.187 6.136 5.074 1.00 0.00 O ATOM 409 CB CYS A 44 5.872 6.217 1.873 1.00 0.00 C ATOM 410 SG CYS A 44 4.661 6.892 0.762 1.00 0.00 S ATOM 0 H CYS A 44 3.840 3.978 2.022 1.00 0.00 H new ATOM 0 HA CYS A 44 5.547 4.533 2.860 1.00 0.00 H new ATOM 0 HB2 CYS A 44 6.475 6.997 2.337 1.00 0.00 H new ATOM 0 HB3 CYS A 44 6.560 5.544 1.362 1.00 0.00 H new ATOM 412 N ALA A 45 6.360 6.224 4.608 1.00 0.00 N ATOM 413 CA ALA A 45 6.756 6.511 5.970 1.00 0.00 C ATOM 414 C ALA A 45 8.168 7.061 5.963 1.00 0.00 C ATOM 415 O ALA A 45 8.940 6.714 6.856 1.00 0.00 O ATOM 416 CB ALA A 45 6.672 5.243 6.848 1.00 0.00 C ATOM 0 H ALA A 45 7.141 6.108 3.962 1.00 0.00 H new ATOM 0 HA ALA A 45 6.076 7.250 6.395 1.00 0.00 H new ATOM 0 HB1 ALA A 45 6.975 5.485 7.867 1.00 0.00 H new ATOM 0 HB2 ALA A 45 5.648 4.871 6.853 1.00 0.00 H new ATOM 0 HB3 ALA A 45 7.335 4.477 6.445 1.00 0.00 H new ATOM 418 N ALA A 46 8.473 7.894 4.954 1.00 0.00 N ATOM 419 CA ALA A 46 9.757 8.593 4.727 1.00 0.00 C ATOM 420 C ALA A 46 10.265 8.349 3.302 1.00 0.00 C ATOM 421 O ALA A 46 9.835 9.025 2.374 1.00 0.00 O ATOM 422 CB ALA A 46 10.899 8.347 5.747 1.00 0.00 C ATOM 0 H ALA A 46 7.790 8.113 4.228 1.00 0.00 H new ATOM 0 HA ALA A 46 9.492 9.639 4.884 1.00 0.00 H new ATOM 0 HB1 ALA A 46 11.778 8.922 5.455 1.00 0.00 H new ATOM 0 HB2 ALA A 46 10.574 8.659 6.739 1.00 0.00 H new ATOM 0 HB3 ALA A 46 11.149 7.286 5.764 1.00 0.00 H new ATOM 424 N THR A 47 11.087 7.320 3.147 1.00 0.00 N ATOM 425 CA THR A 47 11.759 7.009 1.877 1.00 0.00 C ATOM 426 C THR A 47 11.708 5.501 1.593 1.00 0.00 C ATOM 427 O THR A 47 12.734 4.881 1.355 1.00 0.00 O ATOM 428 CB THR A 47 13.196 7.593 1.889 1.00 0.00 C ATOM 429 OG1 THR A 47 13.947 7.102 0.776 1.00 0.00 O ATOM 430 CG2 THR A 47 13.957 7.441 3.217 1.00 0.00 C ATOM 0 H THR A 47 11.313 6.669 3.899 1.00 0.00 H new ATOM 0 HA THR A 47 11.233 7.484 1.049 1.00 0.00 H new ATOM 0 HB THR A 47 13.073 8.671 1.787 1.00 0.00 H new ATOM 0 HG1 THR A 47 13.872 6.126 0.736 1.00 0.00 H new ATOM 0 HG21 THR A 47 14.949 7.881 3.120 1.00 0.00 H new ATOM 0 HG22 THR A 47 13.410 7.951 4.010 1.00 0.00 H new ATOM 0 HG23 THR A 47 14.052 6.383 3.463 1.00 0.00 H new ATOM 433 N CYS A 48 10.558 4.890 1.884 1.00 0.00 N ATOM 434 CA CYS A 48 10.386 3.420 1.773 1.00 0.00 C ATOM 435 C CYS A 48 11.638 2.681 2.247 1.00 0.00 C ATOM 436 O CYS A 48 12.538 2.342 1.465 1.00 0.00 O ATOM 437 CB CYS A 48 10.068 2.986 0.366 1.00 0.00 C ATOM 438 SG CYS A 48 10.055 1.207 -0.009 1.00 0.00 S ATOM 0 H CYS A 48 9.723 5.383 2.200 1.00 0.00 H new ATOM 0 HA CYS A 48 9.542 3.164 2.414 1.00 0.00 H new ATOM 0 HB2 CYS A 48 9.087 3.386 0.109 1.00 0.00 H new ATOM 0 HB3 CYS A 48 10.790 3.460 -0.299 1.00 0.00 H new ATOM 440 N PRO A 49 11.684 2.485 3.554 1.00 0.00 N ATOM 441 CA PRO A 49 12.843 1.839 4.170 1.00 0.00 C ATOM 442 C PRO A 49 12.936 0.361 3.784 1.00 0.00 C ATOM 443 O PRO A 49 13.706 -0.335 4.435 1.00 0.00 O ATOM 444 CB PRO A 49 12.654 2.066 5.668 1.00 0.00 C ATOM 445 CG PRO A 49 11.150 2.269 5.875 1.00 0.00 C ATOM 446 CD PRO A 49 10.610 2.750 4.532 1.00 0.00 C ATOM 0 HA PRO A 49 13.791 2.255 3.829 1.00 0.00 H new ATOM 0 HB2 PRO A 49 13.015 1.212 6.241 1.00 0.00 H new ATOM 0 HB3 PRO A 49 13.216 2.937 6.005 1.00 0.00 H new ATOM 0 HG2 PRO A 49 10.668 1.340 6.181 1.00 0.00 H new ATOM 0 HG3 PRO A 49 10.958 3.001 6.659 1.00 0.00 H new ATOM 0 HD2 PRO A 49 9.696 2.219 4.264 1.00 0.00 H new ATOM 0 HD3 PRO A 49 10.364 3.811 4.566 1.00 0.00 H new ATOM 447 N SER A 50 12.090 -0.100 2.847 1.00 0.00 N ATOM 448 CA SER A 50 12.018 -1.474 2.298 1.00 0.00 C ATOM 449 C SER A 50 11.209 -2.367 3.235 1.00 0.00 C ATOM 450 O SER A 50 10.238 -2.984 2.794 1.00 0.00 O ATOM 451 CB SER A 50 13.381 -2.144 2.033 1.00 0.00 C ATOM 452 OG SER A 50 13.913 -2.725 3.233 1.00 0.00 O ATOM 0 H SER A 50 11.392 0.512 2.423 1.00 0.00 H new ATOM 0 HA SER A 50 11.536 -1.364 1.326 1.00 0.00 H new ATOM 0 HB2 SER A 50 13.269 -2.915 1.271 1.00 0.00 H new ATOM 0 HB3 SER A 50 14.082 -1.407 1.640 1.00 0.00 H new ATOM 0 HG SER A 50 13.969 -2.040 3.931 1.00 0.00 H new ATOM 455 N LYS A 51 11.487 -2.209 4.539 1.00 0.00 N ATOM 456 CA LYS A 51 10.884 -2.963 5.649 1.00 0.00 C ATOM 457 C LYS A 51 11.350 -4.425 5.539 1.00 0.00 C ATOM 458 O LYS A 51 12.546 -4.692 5.419 1.00 0.00 O ATOM 459 CB LYS A 51 9.350 -2.809 5.631 1.00 0.00 C ATOM 460 CG LYS A 51 8.967 -1.361 5.375 1.00 0.00 C ATOM 461 CD LYS A 51 7.543 -1.296 4.888 1.00 0.00 C ATOM 462 CE LYS A 51 7.587 -0.237 3.833 1.00 0.00 C ATOM 463 NZ LYS A 51 7.132 -0.672 2.496 1.00 0.00 N ATOM 0 H LYS A 51 12.168 -1.522 4.862 1.00 0.00 H new ATOM 0 HA LYS A 51 11.209 -2.574 6.614 1.00 0.00 H new ATOM 0 HB2 LYS A 51 8.923 -3.447 4.857 1.00 0.00 H new ATOM 0 HB3 LYS A 51 8.934 -3.139 6.583 1.00 0.00 H new ATOM 0 HG2 LYS A 51 9.077 -0.778 6.289 1.00 0.00 H new ATOM 0 HG3 LYS A 51 9.636 -0.922 4.635 1.00 0.00 H new ATOM 0 HD2 LYS A 51 7.212 -2.253 4.484 1.00 0.00 H new ATOM 0 HD3 LYS A 51 6.855 -1.034 5.692 1.00 0.00 H new ATOM 0 HE2 LYS A 51 6.971 0.602 4.155 1.00 0.00 H new ATOM 0 HE3 LYS A 51 8.610 0.131 3.751 1.00 0.00 H new ATOM 0 HZ1 LYS A 51 7.703 -0.202 1.765 1.00 0.00 H new ATOM 0 HZ2 LYS A 51 7.241 -1.703 2.411 1.00 0.00 H new ATOM 0 HZ3 LYS A 51 6.131 -0.418 2.370 1.00 0.00 H new ATOM 468 N LYS A 52 10.420 -5.354 5.703 1.00 0.00 N ATOM 469 CA LYS A 52 10.700 -6.789 5.648 1.00 0.00 C ATOM 470 C LYS A 52 9.886 -7.502 4.547 1.00 0.00 C ATOM 471 O LYS A 52 9.077 -6.827 3.895 1.00 0.00 O ATOM 472 CB LYS A 52 10.438 -7.301 7.066 1.00 0.00 C ATOM 473 CG LYS A 52 11.737 -7.779 7.724 1.00 0.00 C ATOM 474 CD LYS A 52 12.743 -6.656 7.958 1.00 0.00 C ATOM 475 CE LYS A 52 13.380 -6.861 9.326 1.00 0.00 C ATOM 476 NZ LYS A 52 14.652 -6.143 9.392 1.00 0.00 N ATOM 0 H LYS A 52 9.440 -5.135 5.880 1.00 0.00 H new ATOM 0 HA LYS A 52 11.729 -7.002 5.358 1.00 0.00 H new ATOM 0 HB2 LYS A 52 9.992 -6.508 7.666 1.00 0.00 H new ATOM 0 HB3 LYS A 52 9.719 -8.120 7.034 1.00 0.00 H new ATOM 0 HG2 LYS A 52 11.501 -8.251 8.678 1.00 0.00 H new ATOM 0 HG3 LYS A 52 12.195 -8.543 7.095 1.00 0.00 H new ATOM 0 HD2 LYS A 52 13.506 -6.661 7.179 1.00 0.00 H new ATOM 0 HD3 LYS A 52 12.247 -5.686 7.912 1.00 0.00 H new ATOM 0 HE2 LYS A 52 12.709 -6.504 10.107 1.00 0.00 H new ATOM 0 HE3 LYS A 52 13.542 -7.924 9.507 1.00 0.00 H new ATOM 0 HZ1 LYS A 52 15.083 -6.286 10.328 1.00 0.00 H new ATOM 0 HZ2 LYS A 52 15.293 -6.504 8.657 1.00 0.00 H new ATOM 0 HZ3 LYS A 52 14.486 -5.128 9.239 1.00 0.00 H new ATOM 481 N PRO A 53 10.150 -8.787 4.293 1.00 0.00 N ATOM 482 CA PRO A 53 9.436 -9.578 3.281 1.00 0.00 C ATOM 483 C PRO A 53 8.014 -9.850 3.759 1.00 0.00 C ATOM 484 O PRO A 53 7.119 -9.268 3.188 1.00 0.00 O ATOM 485 CB PRO A 53 10.249 -10.850 3.052 1.00 0.00 C ATOM 486 CG PRO A 53 10.987 -11.067 4.371 1.00 0.00 C ATOM 487 CD PRO A 53 11.169 -9.660 4.927 1.00 0.00 C ATOM 0 HA PRO A 53 9.341 -9.051 2.332 1.00 0.00 H new ATOM 0 HB2 PRO A 53 9.605 -11.696 2.812 1.00 0.00 H new ATOM 0 HB3 PRO A 53 10.945 -10.734 2.221 1.00 0.00 H new ATOM 0 HG2 PRO A 53 10.411 -11.694 5.052 1.00 0.00 H new ATOM 0 HG3 PRO A 53 11.946 -11.562 4.215 1.00 0.00 H new ATOM 0 HD2 PRO A 53 11.052 -9.659 6.011 1.00 0.00 H new ATOM 0 HD3 PRO A 53 12.173 -9.292 4.715 1.00 0.00 H new ATOM 488 N TYR A 54 7.801 -10.652 4.796 1.00 0.00 N ATOM 489 CA TYR A 54 6.453 -10.995 5.327 1.00 0.00 C ATOM 490 C TYR A 54 5.411 -11.152 4.192 1.00 0.00 C ATOM 491 O TYR A 54 5.797 -11.360 3.049 1.00 0.00 O ATOM 492 CB TYR A 54 6.110 -9.949 6.400 1.00 0.00 C ATOM 493 CG TYR A 54 5.101 -8.860 5.987 1.00 0.00 C ATOM 494 CD1 TYR A 54 5.382 -8.026 4.929 1.00 0.00 C ATOM 495 CD2 TYR A 54 3.840 -8.864 6.555 1.00 0.00 C ATOM 496 CE1 TYR A 54 4.405 -7.209 4.429 1.00 0.00 C ATOM 497 CE2 TYR A 54 2.869 -7.982 6.111 1.00 0.00 C ATOM 498 CZ TYR A 54 3.167 -7.152 5.051 1.00 0.00 C ATOM 499 OH TYR A 54 2.355 -6.128 4.835 1.00 0.00 O ATOM 0 H TYR A 54 8.560 -11.098 5.311 1.00 0.00 H new ATOM 0 HA TYR A 54 6.442 -11.976 5.802 1.00 0.00 H new ATOM 0 HB2 TYR A 54 5.715 -10.469 7.273 1.00 0.00 H new ATOM 0 HB3 TYR A 54 7.034 -9.461 6.711 1.00 0.00 H new ATOM 0 HD1 TYR A 54 6.371 -8.016 4.495 1.00 0.00 H new ATOM 0 HD2 TYR A 54 3.611 -9.559 7.349 1.00 0.00 H new ATOM 0 HE1 TYR A 54 4.598 -6.610 3.552 1.00 0.00 H new ATOM 0 HE2 TYR A 54 1.899 -7.945 6.585 1.00 0.00 H new ATOM 0 HH TYR A 54 1.530 -6.250 5.350 1.00 0.00 H new ATOM 506 N GLU A 55 4.120 -11.009 4.504 1.00 0.00 N ATOM 507 CA GLU A 55 3.020 -10.963 3.530 1.00 0.00 C ATOM 508 C GLU A 55 3.412 -10.384 2.153 1.00 0.00 C ATOM 509 O GLU A 55 3.987 -11.081 1.329 1.00 0.00 O ATOM 510 CB GLU A 55 1.806 -10.212 4.100 1.00 0.00 C ATOM 511 CG GLU A 55 1.148 -10.914 5.286 1.00 0.00 C ATOM 512 CD GLU A 55 0.841 -12.357 4.894 1.00 0.00 C ATOM 513 OE1 GLU A 55 0.178 -12.556 3.872 1.00 0.00 O ATOM 514 OE2 GLU A 55 1.469 -13.217 5.569 1.00 0.00 O ATOM 0 H GLU A 55 3.800 -10.919 5.468 1.00 0.00 H new ATOM 0 HA GLU A 55 2.754 -12.005 3.352 1.00 0.00 H new ATOM 0 HB2 GLU A 55 2.120 -9.215 4.408 1.00 0.00 H new ATOM 0 HB3 GLU A 55 1.066 -10.083 3.310 1.00 0.00 H new ATOM 0 HG2 GLU A 55 1.809 -10.891 6.153 1.00 0.00 H new ATOM 0 HG3 GLU A 55 0.232 -10.397 5.570 1.00 0.00 H new ATOM 516 N GLU A 56 3.071 -9.133 1.899 1.00 0.00 N ATOM 517 CA GLU A 56 3.368 -8.519 0.592 1.00 0.00 C ATOM 518 C GLU A 56 4.053 -7.199 0.862 1.00 0.00 C ATOM 519 O GLU A 56 3.704 -6.507 1.814 1.00 0.00 O ATOM 520 CB GLU A 56 2.071 -8.267 -0.180 1.00 0.00 C ATOM 521 CG GLU A 56 1.146 -9.488 -0.176 1.00 0.00 C ATOM 522 CD GLU A 56 1.562 -10.595 -1.145 1.00 0.00 C ATOM 523 OE1 GLU A 56 2.562 -11.302 -0.850 1.00 0.00 O ATOM 524 OE2 GLU A 56 0.866 -10.711 -2.154 1.00 0.00 O ATOM 0 H GLU A 56 2.595 -8.520 2.561 1.00 0.00 H new ATOM 0 HA GLU A 56 4.000 -9.178 -0.003 1.00 0.00 H new ATOM 0 HB2 GLU A 56 1.549 -7.417 0.259 1.00 0.00 H new ATOM 0 HB3 GLU A 56 2.310 -7.998 -1.209 1.00 0.00 H new ATOM 0 HG2 GLU A 56 1.110 -9.899 0.833 1.00 0.00 H new ATOM 0 HG3 GLU A 56 0.135 -9.164 -0.425 1.00 0.00 H new ATOM 526 N VAL A 57 4.898 -6.782 -0.044 1.00 0.00 N ATOM 527 CA VAL A 57 5.729 -5.572 0.135 1.00 0.00 C ATOM 528 C VAL A 57 6.229 -5.182 -1.243 1.00 0.00 C ATOM 529 O VAL A 57 5.943 -5.876 -2.221 1.00 0.00 O ATOM 530 CB VAL A 57 7.012 -5.765 0.964 1.00 0.00 C ATOM 531 CG1 VAL A 57 7.136 -4.770 2.105 1.00 0.00 C ATOM 532 CG2 VAL A 57 7.229 -7.167 1.469 1.00 0.00 C ATOM 0 H VAL A 57 5.046 -7.257 -0.935 1.00 0.00 H new ATOM 0 HA VAL A 57 5.097 -4.850 0.652 1.00 0.00 H new ATOM 0 HB VAL A 57 7.808 -5.568 0.246 1.00 0.00 H new ATOM 0 HG11 VAL A 57 8.060 -4.957 2.652 1.00 0.00 H new ATOM 0 HG12 VAL A 57 7.150 -3.757 1.704 1.00 0.00 H new ATOM 0 HG13 VAL A 57 6.287 -4.882 2.779 1.00 0.00 H new ATOM 0 HG21 VAL A 57 8.156 -7.208 2.042 1.00 0.00 H new ATOM 0 HG22 VAL A 57 6.395 -7.457 2.108 1.00 0.00 H new ATOM 0 HG23 VAL A 57 7.294 -7.852 0.624 1.00 0.00 H new ATOM 534 N THR A 58 6.905 -4.039 -1.284 1.00 0.00 N ATOM 535 CA THR A 58 7.486 -3.490 -2.516 1.00 0.00 C ATOM 536 C THR A 58 8.151 -2.141 -2.215 1.00 0.00 C ATOM 537 O THR A 58 8.371 -1.781 -1.056 1.00 0.00 O ATOM 538 CB THR A 58 6.405 -3.476 -3.623 1.00 0.00 C ATOM 539 OG1 THR A 58 7.043 -3.836 -4.832 1.00 0.00 O ATOM 540 CG2 THR A 58 5.615 -2.204 -3.932 1.00 0.00 C ATOM 0 H THR A 58 7.069 -3.459 -0.461 1.00 0.00 H new ATOM 0 HA THR A 58 8.289 -4.116 -2.905 1.00 0.00 H new ATOM 0 HB THR A 58 5.652 -4.151 -3.217 1.00 0.00 H new ATOM 0 HG1 THR A 58 6.387 -3.840 -5.560 1.00 0.00 H new ATOM 0 HG21 THR A 58 4.908 -2.401 -4.738 1.00 0.00 H new ATOM 0 HG22 THR A 58 5.071 -1.888 -3.042 1.00 0.00 H new ATOM 0 HG23 THR A 58 6.302 -1.414 -4.237 1.00 0.00 H new ATOM 543 N CYS A 59 8.309 -1.349 -3.268 1.00 0.00 N ATOM 544 CA CYS A 59 8.837 0.003 -3.230 1.00 0.00 C ATOM 545 C CYS A 59 8.833 0.576 -4.642 1.00 0.00 C ATOM 546 O CYS A 59 9.515 0.079 -5.539 1.00 0.00 O ATOM 547 CB CYS A 59 10.287 -0.059 -2.725 1.00 0.00 C ATOM 548 SG CYS A 59 10.802 1.460 -1.885 1.00 0.00 S ATOM 0 H CYS A 59 8.061 -1.647 -4.211 1.00 0.00 H new ATOM 0 HA CYS A 59 8.231 0.628 -2.575 1.00 0.00 H new ATOM 0 HB2 CYS A 59 10.393 -0.901 -2.041 1.00 0.00 H new ATOM 0 HB3 CYS A 59 10.953 -0.247 -3.567 1.00 0.00 H new ATOM 550 N CYS A 60 7.928 1.521 -4.854 1.00 0.00 N ATOM 551 CA CYS A 60 7.883 2.219 -6.160 1.00 0.00 C ATOM 552 C CYS A 60 8.272 3.680 -5.932 1.00 0.00 C ATOM 553 O CYS A 60 8.814 3.967 -4.872 1.00 0.00 O ATOM 554 CB CYS A 60 6.514 2.117 -6.789 1.00 0.00 C ATOM 555 SG CYS A 60 6.508 1.109 -8.341 1.00 0.00 S ATOM 0 H CYS A 60 7.231 1.825 -4.174 1.00 0.00 H new ATOM 0 HA CYS A 60 8.583 1.750 -6.851 1.00 0.00 H new ATOM 0 HB2 CYS A 60 5.822 1.675 -6.072 1.00 0.00 H new ATOM 0 HB3 CYS A 60 6.146 3.119 -7.011 1.00 0.00 H new ATOM 557 N SER A 61 7.952 4.551 -6.892 1.00 0.00 N ATOM 558 CA SER A 61 8.230 6.010 -6.876 1.00 0.00 C ATOM 559 C SER A 61 8.164 6.615 -8.280 1.00 0.00 C ATOM 560 O SER A 61 8.961 7.417 -8.762 1.00 0.00 O ATOM 561 CB SER A 61 9.570 6.399 -6.235 1.00 0.00 C ATOM 562 OG SER A 61 10.727 6.568 -7.037 1.00 0.00 O ATOM 0 H SER A 61 7.471 4.258 -7.743 1.00 0.00 H new ATOM 0 HA SER A 61 7.440 6.420 -6.247 1.00 0.00 H new ATOM 0 HB2 SER A 61 9.411 7.334 -5.698 1.00 0.00 H new ATOM 0 HB3 SER A 61 9.803 5.639 -5.489 1.00 0.00 H new ATOM 0 HG SER A 61 10.501 7.096 -7.831 1.00 0.00 H new ATOM 565 N THR A 62 7.073 6.301 -8.930 1.00 0.00 N ATOM 566 CA THR A 62 7.013 6.669 -10.356 1.00 0.00 C ATOM 567 C THR A 62 5.645 7.218 -10.689 1.00 0.00 C ATOM 568 O THR A 62 5.166 6.925 -11.776 1.00 0.00 O ATOM 569 CB THR A 62 7.413 5.485 -11.243 1.00 0.00 C ATOM 570 OG1 THR A 62 7.586 4.290 -10.465 1.00 0.00 O ATOM 571 CG2 THR A 62 8.673 5.824 -12.047 1.00 0.00 C ATOM 0 H THR A 62 6.257 5.825 -8.546 1.00 0.00 H new ATOM 0 HA THR A 62 7.736 7.459 -10.558 1.00 0.00 H new ATOM 0 HB THR A 62 6.605 5.293 -11.949 1.00 0.00 H new ATOM 0 HG1 THR A 62 7.839 3.549 -11.055 1.00 0.00 H new ATOM 0 HG21 THR A 62 8.945 4.974 -12.672 1.00 0.00 H new ATOM 0 HG22 THR A 62 8.480 6.691 -12.678 1.00 0.00 H new ATOM 0 HG23 THR A 62 9.492 6.048 -11.363 1.00 0.00 H new ATOM 574 N ASP A 63 5.065 7.909 -9.690 1.00 0.00 N ATOM 575 CA ASP A 63 3.694 8.472 -9.677 1.00 0.00 C ATOM 576 C ASP A 63 2.805 7.660 -8.737 1.00 0.00 C ATOM 577 O ASP A 63 1.841 8.187 -8.224 1.00 0.00 O ATOM 578 CB ASP A 63 3.060 8.519 -11.079 1.00 0.00 C ATOM 579 CG ASP A 63 1.676 9.098 -11.245 1.00 0.00 C ATOM 580 OD1 ASP A 63 0.741 8.577 -10.624 1.00 0.00 O ATOM 581 OD2 ASP A 63 1.589 10.001 -12.126 1.00 0.00 O ATOM 0 H ASP A 63 5.564 8.102 -8.822 1.00 0.00 H new ATOM 0 HA ASP A 63 3.774 9.500 -9.322 1.00 0.00 H new ATOM 0 HB2 ASP A 63 3.732 9.086 -11.723 1.00 0.00 H new ATOM 0 HB3 ASP A 63 3.036 7.499 -11.462 1.00 0.00 H new ATOM 583 N LYS A 64 3.055 6.366 -8.610 1.00 0.00 N ATOM 584 CA LYS A 64 2.263 5.438 -7.782 1.00 0.00 C ATOM 585 C LYS A 64 2.797 4.029 -7.990 1.00 0.00 C ATOM 586 O LYS A 64 3.619 3.841 -8.875 1.00 0.00 O ATOM 587 CB LYS A 64 0.770 5.521 -8.113 1.00 0.00 C ATOM 588 CG LYS A 64 0.031 4.259 -8.583 1.00 0.00 C ATOM 589 CD LYS A 64 -1.426 4.272 -8.161 1.00 0.00 C ATOM 590 CE LYS A 64 -2.179 5.570 -8.448 1.00 0.00 C ATOM 591 NZ LYS A 64 -1.734 6.125 -9.719 1.00 0.00 N ATOM 0 H LYS A 64 3.832 5.910 -9.088 1.00 0.00 H new ATOM 0 HA LYS A 64 2.362 5.716 -6.733 1.00 0.00 H new ATOM 0 HB2 LYS A 64 0.258 5.888 -7.224 1.00 0.00 H new ATOM 0 HB3 LYS A 64 0.648 6.279 -8.887 1.00 0.00 H new ATOM 0 HG2 LYS A 64 0.095 4.183 -9.668 1.00 0.00 H new ATOM 0 HG3 LYS A 64 0.521 3.376 -8.172 1.00 0.00 H new ATOM 0 HD2 LYS A 64 -1.940 3.454 -8.666 1.00 0.00 H new ATOM 0 HD3 LYS A 64 -1.479 4.070 -7.091 1.00 0.00 H new ATOM 0 HE2 LYS A 64 -3.252 5.380 -8.479 1.00 0.00 H new ATOM 0 HE3 LYS A 64 -2.005 6.288 -7.646 1.00 0.00 H new ATOM 0 HZ1 LYS A 64 -2.552 6.506 -10.237 1.00 0.00 H new ATOM 0 HZ2 LYS A 64 -1.049 6.888 -9.544 1.00 0.00 H new ATOM 0 HZ3 LYS A 64 -1.283 5.378 -10.285 1.00 0.00 H new ATOM 596 N CYS A 65 2.316 3.144 -7.117 1.00 0.00 N ATOM 597 CA CYS A 65 2.473 1.678 -7.224 1.00 0.00 C ATOM 598 C CYS A 65 2.135 1.003 -5.909 1.00 0.00 C ATOM 599 O CYS A 65 2.948 0.439 -5.172 1.00 0.00 O ATOM 600 CB CYS A 65 3.878 1.203 -7.491 1.00 0.00 C ATOM 601 SG CYS A 65 4.646 1.247 -9.129 1.00 0.00 S ATOM 0 H CYS A 65 1.790 3.426 -6.290 1.00 0.00 H new ATOM 0 HA CYS A 65 1.815 1.426 -8.056 1.00 0.00 H new ATOM 0 HB2 CYS A 65 4.528 1.777 -6.830 1.00 0.00 H new ATOM 0 HB3 CYS A 65 3.921 0.166 -7.158 1.00 0.00 H new ATOM 603 N ASN A 66 0.928 1.332 -5.508 1.00 0.00 N ATOM 604 CA ASN A 66 0.372 0.822 -4.267 1.00 0.00 C ATOM 605 C ASN A 66 -1.154 0.956 -4.316 1.00 0.00 C ATOM 606 O ASN A 66 -1.715 1.647 -3.475 1.00 0.00 O ATOM 607 CB ASN A 66 1.035 1.623 -3.141 1.00 0.00 C ATOM 608 CG ASN A 66 0.611 3.067 -3.176 1.00 0.00 C ATOM 609 OD1 ASN A 66 1.087 3.614 -4.241 1.00 0.00 O flip ATOM 610 ND2 ASN A 66 -0.123 3.644 -2.391 1.00 0.00 N flip ATOM 0 H ASN A 66 0.306 1.954 -6.024 1.00 0.00 H new ATOM 0 HA ASN A 66 0.571 -0.237 -4.100 1.00 0.00 H new ATOM 0 HB2 ASN A 66 0.771 1.187 -2.177 1.00 0.00 H new ATOM 0 HB3 ASN A 66 2.119 1.557 -3.234 1.00 0.00 H new ATOM 0 HD21 ASN A 66 -0.469 3.157 -1.564 1.00 0.00 H new ATOM 0 HD22 ASN A 66 -0.391 4.613 -2.562 1.00 0.00 H new ATOM 614 N PRO A 67 -1.785 0.472 -5.397 1.00 0.00 N ATOM 615 CA PRO A 67 -3.233 0.516 -5.521 1.00 0.00 C ATOM 616 C PRO A 67 -3.825 -0.588 -4.663 1.00 0.00 C ATOM 617 O PRO A 67 -3.322 -0.856 -3.568 1.00 0.00 O ATOM 618 CB PRO A 67 -3.519 0.453 -7.025 1.00 0.00 C ATOM 619 CG PRO A 67 -2.342 -0.314 -7.615 1.00 0.00 C ATOM 620 CD PRO A 67 -1.218 -0.183 -6.593 1.00 0.00 C ATOM 0 HA PRO A 67 -3.709 1.422 -5.145 1.00 0.00 H new ATOM 0 HB2 PRO A 67 -4.462 -0.054 -7.227 1.00 0.00 H new ATOM 0 HB3 PRO A 67 -3.595 1.452 -7.455 1.00 0.00 H new ATOM 0 HG2 PRO A 67 -2.600 -1.360 -7.783 1.00 0.00 H new ATOM 0 HG3 PRO A 67 -2.047 0.101 -8.579 1.00 0.00 H new ATOM 0 HD2 PRO A 67 -0.814 -1.163 -6.339 1.00 0.00 H new ATOM 0 HD3 PRO A 67 -0.396 0.406 -7.000 1.00 0.00 H new ATOM 621 N HIS A 68 -4.997 -1.056 -5.077 1.00 0.00 N ATOM 622 CA HIS A 68 -5.758 -2.091 -4.361 1.00 0.00 C ATOM 623 C HIS A 68 -7.115 -2.304 -5.039 1.00 0.00 C ATOM 624 O HIS A 68 -7.854 -1.342 -5.200 1.00 0.00 O ATOM 625 CB HIS A 68 -5.961 -1.793 -2.867 1.00 0.00 C ATOM 626 CG HIS A 68 -6.430 -0.354 -2.547 1.00 0.00 C ATOM 627 ND1 HIS A 68 -5.886 0.795 -2.899 1.00 0.00 N flip ATOM 628 CD2 HIS A 68 -7.437 -0.066 -1.775 1.00 0.00 C flip ATOM 629 CE1 HIS A 68 -6.523 1.804 -2.324 1.00 0.00 C flip ATOM 630 NE2 HIS A 68 -7.489 1.263 -1.601 1.00 0.00 N flip ATOM 0 H HIS A 68 -5.456 -0.729 -5.927 1.00 0.00 H new ATOM 0 HA HIS A 68 -5.158 -3.000 -4.412 1.00 0.00 H new ATOM 0 HB2 HIS A 68 -6.693 -2.495 -2.468 1.00 0.00 H new ATOM 0 HB3 HIS A 68 -5.023 -1.978 -2.344 1.00 0.00 H new ATOM 0 HD2 HIS A 68 -8.121 -0.782 -1.344 1.00 0.00 H new ATOM 0 HE1 HIS A 68 -6.299 2.856 -2.425 1.00 0.00 H new ATOM 0 HE2 HIS A 68 -8.155 1.767 -1.015 1.00 0.00 H new ATOM 633 N PRO A 69 -7.375 -3.499 -5.559 1.00 0.00 N ATOM 634 CA PRO A 69 -8.661 -3.798 -6.213 1.00 0.00 C ATOM 635 C PRO A 69 -9.754 -3.899 -5.143 1.00 0.00 C ATOM 636 O PRO A 69 -9.509 -3.504 -4.004 1.00 0.00 O ATOM 637 CB PRO A 69 -8.404 -5.100 -6.971 1.00 0.00 C ATOM 638 CG PRO A 69 -7.249 -5.784 -6.235 1.00 0.00 C ATOM 639 CD PRO A 69 -6.483 -4.671 -5.523 1.00 0.00 C ATOM 0 HA PRO A 69 -9.012 -3.032 -6.905 1.00 0.00 H new ATOM 0 HB2 PRO A 69 -9.293 -5.731 -6.978 1.00 0.00 H new ATOM 0 HB3 PRO A 69 -8.144 -4.903 -8.011 1.00 0.00 H new ATOM 0 HG2 PRO A 69 -7.622 -6.519 -5.521 1.00 0.00 H new ATOM 0 HG3 PRO A 69 -6.603 -6.317 -6.933 1.00 0.00 H new ATOM 0 HD2 PRO A 69 -6.244 -4.952 -4.497 1.00 0.00 H new ATOM 0 HD3 PRO A 69 -5.538 -4.461 -6.024 1.00 0.00 H new ATOM 640 N LYS A 70 -10.911 -4.439 -5.534 1.00 0.00 N ATOM 641 CA LYS A 70 -12.074 -4.637 -4.648 1.00 0.00 C ATOM 642 C LYS A 70 -12.490 -3.321 -3.991 1.00 0.00 C ATOM 643 O LYS A 70 -13.217 -2.545 -4.609 1.00 0.00 O ATOM 644 CB LYS A 70 -11.805 -5.756 -3.633 1.00 0.00 C ATOM 645 CG LYS A 70 -12.614 -6.968 -4.068 1.00 0.00 C ATOM 646 CD LYS A 70 -12.103 -8.277 -3.464 1.00 0.00 C ATOM 647 CE LYS A 70 -12.807 -8.644 -2.158 1.00 0.00 C ATOM 648 NZ LYS A 70 -14.261 -8.490 -2.240 1.00 0.00 N ATOM 0 H LYS A 70 -11.074 -4.758 -6.489 1.00 0.00 H new ATOM 0 HA LYS A 70 -12.922 -4.963 -5.250 1.00 0.00 H new ATOM 0 HB2 LYS A 70 -10.742 -5.996 -3.599 1.00 0.00 H new ATOM 0 HB3 LYS A 70 -12.093 -5.442 -2.630 1.00 0.00 H new ATOM 0 HG2 LYS A 70 -13.656 -6.824 -3.781 1.00 0.00 H new ATOM 0 HG3 LYS A 70 -12.590 -7.042 -5.155 1.00 0.00 H new ATOM 0 HD2 LYS A 70 -12.242 -9.083 -4.185 1.00 0.00 H new ATOM 0 HD3 LYS A 70 -11.031 -8.194 -3.282 1.00 0.00 H new ATOM 0 HE2 LYS A 70 -12.569 -9.675 -1.898 1.00 0.00 H new ATOM 0 HE3 LYS A 70 -12.424 -8.016 -1.354 1.00 0.00 H new ATOM 0 HZ1 LYS A 70 -14.717 -9.140 -1.569 1.00 0.00 H new ATOM 0 HZ2 LYS A 70 -14.520 -7.511 -2.004 1.00 0.00 H new ATOM 0 HZ3 LYS A 70 -14.579 -8.709 -3.205 1.00 0.00 H new ATOM 653 N GLN A 71 -11.872 -3.027 -2.845 1.00 0.00 N ATOM 654 CA GLN A 71 -12.061 -1.780 -2.103 1.00 0.00 C ATOM 655 C GLN A 71 -13.520 -1.715 -1.669 1.00 0.00 C ATOM 656 O GLN A 71 -14.181 -2.746 -1.540 1.00 0.00 O ATOM 657 CB GLN A 71 -11.702 -0.560 -2.968 1.00 0.00 C ATOM 658 CG GLN A 71 -10.226 -0.254 -2.905 1.00 0.00 C ATOM 659 CD GLN A 71 -9.891 1.025 -3.677 1.00 0.00 C ATOM 660 OE1 GLN A 71 -10.532 2.057 -3.587 1.00 0.00 O ATOM 661 NE2 GLN A 71 -8.768 0.986 -4.341 1.00 0.00 N ATOM 0 H GLN A 71 -11.212 -3.663 -2.398 1.00 0.00 H new ATOM 0 HA GLN A 71 -11.402 -1.762 -1.235 1.00 0.00 H new ATOM 0 HB2 GLN A 71 -11.992 -0.747 -4.002 1.00 0.00 H new ATOM 0 HB3 GLN A 71 -12.269 0.307 -2.630 1.00 0.00 H new ATOM 0 HG2 GLN A 71 -9.919 -0.145 -1.865 1.00 0.00 H new ATOM 0 HG3 GLN A 71 -9.661 -1.090 -3.318 1.00 0.00 H new ATOM 0 HE21 GLN A 71 -8.244 0.113 -4.406 1.00 0.00 H new ATOM 0 HE22 GLN A 71 -8.414 1.828 -4.795 1.00 0.00 H new ATOM 665 N ARG A 72 -13.953 -0.504 -1.370 1.00 0.00 N ATOM 666 CA ARG A 72 -15.332 -0.246 -0.968 1.00 0.00 C ATOM 667 C ARG A 72 -15.805 1.093 -1.535 1.00 0.00 C ATOM 668 O ARG A 72 -15.167 2.114 -1.246 1.00 0.00 O ATOM 669 CB ARG A 72 -15.421 -0.283 0.558 1.00 0.00 C ATOM 670 CG ARG A 72 -15.455 -1.721 1.092 1.00 0.00 C ATOM 671 CD ARG A 72 -16.773 -2.422 0.748 1.00 0.00 C ATOM 672 NE ARG A 72 -17.867 -1.757 1.476 1.00 0.00 N ATOM 673 CZ ARG A 72 -19.166 -1.855 1.208 1.00 0.00 C ATOM 674 NH1 ARG A 72 -19.616 -2.573 0.188 1.00 0.00 N ATOM 675 NH2 ARG A 72 -20.039 -1.202 1.969 1.00 0.00 N ATOM 0 H ARG A 72 -13.365 0.329 -1.397 1.00 0.00 H new ATOM 0 HA ARG A 72 -15.991 -1.016 -1.369 1.00 0.00 H new ATOM 0 HB2 ARG A 72 -14.567 0.243 0.985 1.00 0.00 H new ATOM 0 HB3 ARG A 72 -16.317 0.247 0.883 1.00 0.00 H new ATOM 0 HG2 ARG A 72 -14.622 -2.285 0.672 1.00 0.00 H new ATOM 0 HG3 ARG A 72 -15.320 -1.711 2.174 1.00 0.00 H new ATOM 0 HD2 ARG A 72 -16.954 -2.380 -0.326 1.00 0.00 H new ATOM 0 HD3 ARG A 72 -16.723 -3.476 1.022 1.00 0.00 H new ATOM 0 HE ARG A 72 -17.603 -1.163 2.262 1.00 0.00 H new ATOM 0 HH11 ARG A 72 -18.960 -3.069 -0.416 1.00 0.00 H new ATOM 0 HH12 ARG A 72 -20.618 -2.630 0.007 1.00 0.00 H new ATOM 0 HH21 ARG A 72 -19.710 -0.633 2.749 1.00 0.00 H new ATOM 0 HH22 ARG A 72 -21.038 -1.270 1.773 1.00 0.00 H new ATOM 682 N PRO A 73 -16.897 1.079 -2.297 1.00 0.00 N ATOM 683 CA PRO A 73 -17.504 2.306 -2.855 1.00 0.00 C ATOM 684 C PRO A 73 -18.258 3.106 -1.774 1.00 0.00 C ATOM 685 O PRO A 73 -19.366 3.594 -1.986 1.00 0.00 O ATOM 686 CB PRO A 73 -18.375 1.813 -4.014 1.00 0.00 C ATOM 687 CG PRO A 73 -18.746 0.369 -3.663 1.00 0.00 C ATOM 688 CD PRO A 73 -17.630 -0.126 -2.744 1.00 0.00 C ATOM 0 HA PRO A 73 -16.770 3.024 -3.220 1.00 0.00 H new ATOM 0 HB2 PRO A 73 -19.266 2.431 -4.125 1.00 0.00 H new ATOM 0 HB3 PRO A 73 -17.834 1.860 -4.959 1.00 0.00 H new ATOM 0 HG2 PRO A 73 -19.714 0.322 -3.165 1.00 0.00 H new ATOM 0 HG3 PRO A 73 -18.819 -0.247 -4.559 1.00 0.00 H new ATOM 0 HD2 PRO A 73 -18.039 -0.670 -1.893 1.00 0.00 H new ATOM 0 HD3 PRO A 73 -16.967 -0.811 -3.272 1.00 0.00 H new ATOM 689 N GLY A 74 -17.607 3.229 -0.612 1.00 0.00 N ATOM 690 CA GLY A 74 -18.161 3.906 0.581 1.00 0.00 C ATOM 691 C GLY A 74 -17.466 3.506 1.893 1.00 0.00 C ATOM 692 O GLY A 74 -16.469 2.745 1.811 1.00 0.00 O ATOM 693 OXT GLY A 74 -17.976 3.925 2.951 1.00 99.99 O ATOM 0 H GLY A 74 -16.668 2.859 -0.465 1.00 0.00 H new ATOM 0 HA2 GLY A 74 -18.076 4.985 0.449 1.00 0.00 H new ATOM 0 HA3 GLY A 74 -19.224 3.677 0.658 1.00 0.00 H new TER 695 GLY A 74