USER MOD reduce.3.24.130724 H: found=0, std=0, add=944, rem=0, adj=27 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 53 SER OG : rot -68:sc= -0.469 USER MOD Set 1.2: A 68 ASN : amide:sc= 0.981 K(o=0.51,f=-11!) USER MOD Single : A 12 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 16 GLN : amide:sc= -2.95! K(o=-2.9!,f=-1.5) USER MOD Single : A 18 ASN : amide:sc= -1.93! C(o=-1.9!,f=-7.7!) USER MOD Single : A 20 LYS NZ :NH3+ -165:sc= 1.39 (180deg=1.36) USER MOD Single : A 21 LYS NZ :NH3+ -138:sc= -0.387 (180deg=-2.05!) USER MOD Single : A 25 ASN : amide:sc= -0.347 K(o=-0.35,f=-1.4) USER MOD Single : A 29 ASN : amide:sc= -1.53 X(o=-1.5,f=-1.1) USER MOD Single : A 32 GLN : amide:sc= 0.196 K(o=0.2,f=-5.2!) USER MOD Single : A 35 LYS NZ :NH3+ 177:sc= 1.22 (180deg=1.15) USER MOD Single : A 36 THR OG1 : rot -86:sc= 1.24 USER MOD Single : A 38 ASN : amide:sc= 0.0544 X(o=0.054,f=0) USER MOD Single : A 39 LYS NZ :NH3+ -144:sc= -0.0554 (180deg=-0.98) USER MOD Single : A 41 LYS NZ :NH3+ 170:sc= 0 (180deg=-0.0795) USER MOD Single : A 43 LYS NZ :NH3+ 153:sc= -0.656! (180deg=-2.12!) USER MOD Single : A 48 THR OG1 : rot 180:sc= 0.028 USER MOD Single : A 51 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 59 LYS NZ :NH3+ 174:sc= 1.22 (180deg=0.815) USER MOD Single : A 62 HIS : no HE2:sc= -1.31 K(o=-1.3,f=-2.4!) USER MOD Single : A 63 GLN : amide:sc= -1! C(o=-1!,f=-13!) USER MOD Single : A 69 SER OG : rot -94:sc= 1.11 USER MOD Single : A 70 GLN : amide:sc= -1.94! C(o=-1.9!,f=-6.2!) USER MOD Single : A 72 GLN : amide:sc= -3.44! K(o=-3.4!,f=-0.059) USER MOD Single : A 76 LYS NZ :NH3+ -166:sc= 1.23 (180deg=1.17) USER MOD Single : A 78 TYR OH : rot 180:sc= 0 USER MOD Single : A 80 THR OG1 : rot 33:sc= 0.878 USER MOD Single : A 83 SER OG : rot 180:sc= 0 USER MOD Single : A 87 CYS SG : rot 90:sc= -2.01! USER MOD Single : A 91 SER OG : rot 180:sc= 0.973 USER MOD Single : A 94 ASN : amide:sc= -0.0674 K(o=-0.067,f=-0.65) USER MOD Single : A 96 SER OG : rot 180:sc= 0 USER MOD Single : A 100 TYR OH : rot 30:sc= 0 USER MOD Single : A 104 ASN : amide:sc= -6.46! C(o=-6.5!,f=-6.5!) USER MOD Single : A 107 GLN : amide:sc= -0.26 X(o=-0.26,f=-0.39) USER MOD Single : A 108 TYR OH : rot -143:sc= -0.371 USER MOD Single : A 109 CYS SG : rot 180:sc= -0.605 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 112 ASN : amide:sc= 0.56 K(o=0.56,f=-6.4!) USER MOD Single : A 113 GLN : amide:sc= -3.68! K(o=-3.7!,f=-1.5) USER MOD Single : A 116 GLN : amide:sc= -2.53 K(o=-2.5,f=-0.3) USER MOD Single : A 120 TYR OH : rot 23:sc= -3.83! USER MOD Single : A 123 LYS NZ :NH3+ 162:sc= 1.22 (180deg=0.662) USER MOD Single : A 124 GLN : amide:sc= 0.325 K(o=0.32,f=-0.66) USER MOD Single : A 126 SER OG : rot 180:sc= 0 USER MOD ----------------------------------------------------------------- ATOM 1 N PRO A 5 11.083 -20.584 -5.327 1.00 0.00 N ATOM 2 CA PRO A 5 10.284 -19.677 -4.557 1.00 0.00 C ATOM 3 C PRO A 5 9.072 -19.254 -5.351 1.00 0.00 C ATOM 4 O PRO A 5 9.110 -19.117 -6.590 1.00 0.00 O ATOM 5 CB PRO A 5 11.189 -18.483 -4.308 1.00 0.00 C ATOM 6 CG PRO A 5 12.221 -18.588 -5.366 1.00 0.00 C ATOM 7 CD PRO A 5 12.411 -20.040 -5.589 1.00 0.00 C ATOM 0 HA PRO A 5 9.923 -20.124 -3.631 1.00 0.00 H new ATOM 0 HB2 PRO A 5 10.640 -17.544 -4.378 1.00 0.00 H new ATOM 0 HB3 PRO A 5 11.632 -18.519 -3.313 1.00 0.00 H new ATOM 0 HG2 PRO A 5 11.899 -18.089 -6.280 1.00 0.00 H new ATOM 0 HG3 PRO A 5 13.152 -18.113 -5.055 1.00 0.00 H new ATOM 0 HD2 PRO A 5 12.742 -20.253 -6.605 1.00 0.00 H new ATOM 0 HD3 PRO A 5 13.159 -20.458 -4.916 1.00 0.00 H new ATOM 15 N VAL A 6 8.046 -19.059 -4.657 1.00 0.00 N ATOM 16 CA VAL A 6 6.774 -18.736 -5.194 1.00 0.00 C ATOM 17 C VAL A 6 5.912 -18.344 -4.019 1.00 0.00 C ATOM 18 O VAL A 6 6.207 -18.746 -2.873 1.00 0.00 O ATOM 19 CB VAL A 6 6.155 -19.975 -5.934 1.00 0.00 C ATOM 20 CG1 VAL A 6 5.808 -21.120 -4.972 1.00 0.00 C ATOM 21 CG2 VAL A 6 4.958 -19.574 -6.758 1.00 0.00 C ATOM 0 H VAL A 6 8.050 -19.119 -3.639 1.00 0.00 H new ATOM 0 HA VAL A 6 6.847 -17.930 -5.924 1.00 0.00 H new ATOM 0 HB VAL A 6 6.922 -20.354 -6.610 1.00 0.00 H new ATOM 0 HG11 VAL A 6 5.384 -21.952 -5.534 1.00 0.00 H new ATOM 0 HG12 VAL A 6 6.711 -21.452 -4.460 1.00 0.00 H new ATOM 0 HG13 VAL A 6 5.082 -20.771 -4.237 1.00 0.00 H new ATOM 0 HG21 VAL A 6 4.550 -20.452 -7.259 1.00 0.00 H new ATOM 0 HG22 VAL A 6 4.197 -19.141 -6.108 1.00 0.00 H new ATOM 0 HG23 VAL A 6 5.260 -18.838 -7.504 1.00 0.00 H new ATOM 31 N CYS A 7 4.883 -17.585 -4.235 1.00 0.00 N ATOM 32 CA CYS A 7 4.072 -17.243 -3.149 1.00 0.00 C ATOM 33 C CYS A 7 2.857 -18.129 -3.123 1.00 0.00 C ATOM 34 O CYS A 7 2.219 -18.355 -4.146 1.00 0.00 O ATOM 35 CB CYS A 7 3.690 -15.777 -3.118 1.00 0.00 C ATOM 36 SG CYS A 7 2.957 -15.249 -1.549 1.00 0.00 S ATOM 0 H CYS A 7 4.603 -17.206 -5.139 1.00 0.00 H new ATOM 0 HA CYS A 7 4.659 -17.407 -2.245 1.00 0.00 H new ATOM 0 HB2 CYS A 7 4.577 -15.175 -3.315 1.00 0.00 H new ATOM 0 HB3 CYS A 7 2.984 -15.577 -3.924 1.00 0.00 H new ATOM 41 N ARG A 8 2.592 -18.680 -1.974 1.00 0.00 N ATOM 42 CA ARG A 8 1.397 -19.469 -1.765 1.00 0.00 C ATOM 43 C ARG A 8 0.687 -18.914 -0.540 1.00 0.00 C ATOM 44 O ARG A 8 -0.229 -19.497 0.007 1.00 0.00 O ATOM 45 CB ARG A 8 1.681 -20.976 -1.639 1.00 0.00 C ATOM 46 CG ARG A 8 2.671 -21.345 -0.554 1.00 0.00 C ATOM 47 CD ARG A 8 4.114 -21.169 -0.997 1.00 0.00 C ATOM 48 NE ARG A 8 5.044 -21.340 0.113 1.00 0.00 N ATOM 49 CZ ARG A 8 6.374 -21.344 0.014 1.00 0.00 C ATOM 50 NH1 ARG A 8 6.958 -21.192 -1.172 1.00 0.00 N ATOM 51 NH2 ARG A 8 7.114 -21.500 1.104 1.00 0.00 N ATOM 0 H ARG A 8 3.192 -18.600 -1.153 1.00 0.00 H new ATOM 0 HA ARG A 8 0.755 -19.387 -2.642 1.00 0.00 H new ATOM 0 HB2 ARG A 8 0.742 -21.494 -1.446 1.00 0.00 H new ATOM 0 HB3 ARG A 8 2.057 -21.342 -2.594 1.00 0.00 H new ATOM 0 HG2 ARG A 8 2.487 -20.729 0.326 1.00 0.00 H new ATOM 0 HG3 ARG A 8 2.510 -22.381 -0.257 1.00 0.00 H new ATOM 0 HD2 ARG A 8 4.345 -21.892 -1.780 1.00 0.00 H new ATOM 0 HD3 ARG A 8 4.243 -20.177 -1.430 1.00 0.00 H new ATOM 0 HE ARG A 8 4.644 -21.467 1.043 1.00 0.00 H new ATOM 0 HH11 ARG A 8 6.388 -21.072 -2.009 1.00 0.00 H new ATOM 0 HH12 ARG A 8 7.975 -21.196 -1.244 1.00 0.00 H new ATOM 0 HH21 ARG A 8 6.665 -21.616 2.013 1.00 0.00 H new ATOM 0 HH22 ARG A 8 8.132 -21.504 1.033 1.00 0.00 H new ATOM 65 N HIS A 9 1.112 -17.709 -0.183 1.00 0.00 N ATOM 66 CA HIS A 9 0.560 -16.925 0.939 1.00 0.00 C ATOM 67 C HIS A 9 -0.442 -15.974 0.336 1.00 0.00 C ATOM 68 O HIS A 9 -0.683 -14.894 0.860 1.00 0.00 O ATOM 69 CB HIS A 9 1.648 -16.027 1.584 1.00 0.00 C ATOM 70 CG HIS A 9 2.872 -16.693 2.125 1.00 0.00 C ATOM 71 ND1 HIS A 9 4.118 -16.321 1.684 1.00 0.00 N ATOM 72 CD2 HIS A 9 3.001 -17.590 3.129 1.00 0.00 C ATOM 73 CE1 HIS A 9 4.983 -16.990 2.439 1.00 0.00 C ATOM 74 NE2 HIS A 9 4.347 -17.773 3.327 1.00 0.00 N ATOM 0 H HIS A 9 1.868 -17.229 -0.671 1.00 0.00 H new ATOM 0 HA HIS A 9 0.149 -17.605 1.685 1.00 0.00 H new ATOM 0 HB2 HIS A 9 1.965 -15.298 0.838 1.00 0.00 H new ATOM 0 HB3 HIS A 9 1.183 -15.470 2.397 1.00 0.00 H new ATOM 0 HD2 HIS A 9 2.199 -18.070 3.671 1.00 0.00 H new ATOM 0 HE1 HIS A 9 6.057 -16.914 2.351 1.00 0.00 H new ATOM 0 HE2 HIS A 9 4.782 -18.386 4.017 1.00 0.00 H new ATOM 82 N ILE A 10 -1.033 -16.405 -0.744 1.00 0.00 N ATOM 83 CA ILE A 10 -1.870 -15.578 -1.565 1.00 0.00 C ATOM 84 C ILE A 10 -3.115 -15.159 -0.816 1.00 0.00 C ATOM 85 O ILE A 10 -3.440 -14.021 -0.750 1.00 0.00 O ATOM 86 CB ILE A 10 -2.235 -16.331 -2.873 1.00 0.00 C ATOM 87 CG1 ILE A 10 -0.943 -16.756 -3.619 1.00 0.00 C ATOM 88 CG2 ILE A 10 -3.128 -15.477 -3.774 1.00 0.00 C ATOM 89 CD1 ILE A 10 -0.029 -15.619 -3.963 1.00 0.00 C ATOM 0 H ILE A 10 -0.943 -17.362 -1.084 1.00 0.00 H new ATOM 0 HA ILE A 10 -1.322 -14.673 -1.825 1.00 0.00 H new ATOM 0 HB ILE A 10 -2.798 -17.226 -2.608 1.00 0.00 H new ATOM 0 HG12 ILE A 10 -0.399 -17.471 -3.001 1.00 0.00 H new ATOM 0 HG13 ILE A 10 -1.221 -17.274 -4.537 1.00 0.00 H new ATOM 0 HG21 ILE A 10 -3.366 -16.032 -4.682 1.00 0.00 H new ATOM 0 HG22 ILE A 10 -4.050 -15.232 -3.246 1.00 0.00 H new ATOM 0 HG23 ILE A 10 -2.606 -14.557 -4.038 1.00 0.00 H new ATOM 0 HD11 ILE A 10 0.849 -16.003 -4.482 1.00 0.00 H new ATOM 0 HD12 ILE A 10 -0.553 -14.914 -4.608 1.00 0.00 H new ATOM 0 HD13 ILE A 10 0.282 -15.113 -3.049 1.00 0.00 H new ATOM 101 N ARG A 11 -3.746 -16.101 -0.213 1.00 0.00 N ATOM 102 CA ARG A 11 -4.969 -15.872 0.552 1.00 0.00 C ATOM 103 C ARG A 11 -4.649 -15.223 1.893 1.00 0.00 C ATOM 104 O ARG A 11 -5.464 -14.508 2.474 1.00 0.00 O ATOM 105 CB ARG A 11 -5.647 -17.196 0.802 1.00 0.00 C ATOM 106 CG ARG A 11 -6.024 -17.948 -0.462 1.00 0.00 C ATOM 107 CD ARG A 11 -6.508 -19.344 -0.132 1.00 0.00 C ATOM 108 NE ARG A 11 -7.653 -19.340 0.783 1.00 0.00 N ATOM 109 CZ ARG A 11 -7.737 -20.064 1.908 1.00 0.00 C ATOM 110 NH1 ARG A 11 -6.710 -20.804 2.309 1.00 0.00 N ATOM 111 NH2 ARG A 11 -8.843 -20.027 2.636 1.00 0.00 N ATOM 0 H ARG A 11 -3.442 -17.075 -0.223 1.00 0.00 H new ATOM 0 HA ARG A 11 -5.621 -15.209 -0.017 1.00 0.00 H new ATOM 0 HB2 ARG A 11 -4.987 -17.823 1.401 1.00 0.00 H new ATOM 0 HB3 ARG A 11 -6.547 -17.025 1.392 1.00 0.00 H new ATOM 0 HG2 ARG A 11 -6.804 -17.404 -0.995 1.00 0.00 H new ATOM 0 HG3 ARG A 11 -5.163 -18.005 -1.128 1.00 0.00 H new ATOM 0 HD2 ARG A 11 -6.785 -19.856 -1.053 1.00 0.00 H new ATOM 0 HD3 ARG A 11 -5.692 -19.912 0.315 1.00 0.00 H new ATOM 0 HE ARG A 11 -8.445 -18.742 0.546 1.00 0.00 H new ATOM 0 HH11 ARG A 11 -5.851 -20.824 1.760 1.00 0.00 H new ATOM 0 HH12 ARG A 11 -6.781 -21.353 3.166 1.00 0.00 H new ATOM 0 HH21 ARG A 11 -9.629 -19.448 2.340 1.00 0.00 H new ATOM 0 HH22 ARG A 11 -8.909 -20.577 3.492 1.00 0.00 H new ATOM 125 N LYS A 12 -3.456 -15.483 2.376 1.00 0.00 N ATOM 126 CA LYS A 12 -2.998 -14.951 3.653 1.00 0.00 C ATOM 127 C LYS A 12 -2.690 -13.463 3.536 1.00 0.00 C ATOM 128 O LYS A 12 -2.809 -12.697 4.501 1.00 0.00 O ATOM 129 CB LYS A 12 -1.736 -15.695 4.110 1.00 0.00 C ATOM 130 CG LYS A 12 -1.925 -17.192 4.277 1.00 0.00 C ATOM 131 CD LYS A 12 -0.633 -17.878 4.675 1.00 0.00 C ATOM 132 CE LYS A 12 -0.818 -19.384 4.794 1.00 0.00 C ATOM 133 NZ LYS A 12 0.439 -20.068 5.157 1.00 0.00 N ATOM 0 H LYS A 12 -2.770 -16.069 1.900 1.00 0.00 H new ATOM 0 HA LYS A 12 -3.792 -15.092 4.386 1.00 0.00 H new ATOM 0 HB2 LYS A 12 -0.941 -15.519 3.386 1.00 0.00 H new ATOM 0 HB3 LYS A 12 -1.402 -15.274 5.058 1.00 0.00 H new ATOM 0 HG2 LYS A 12 -2.686 -17.381 5.034 1.00 0.00 H new ATOM 0 HG3 LYS A 12 -2.292 -17.619 3.344 1.00 0.00 H new ATOM 0 HD2 LYS A 12 0.138 -17.662 3.936 1.00 0.00 H new ATOM 0 HD3 LYS A 12 -0.284 -17.476 5.626 1.00 0.00 H new ATOM 0 HE2 LYS A 12 -1.577 -19.598 5.546 1.00 0.00 H new ATOM 0 HE3 LYS A 12 -1.186 -19.780 3.848 1.00 0.00 H new ATOM 0 HZ1 LYS A 12 0.269 -21.092 5.228 1.00 0.00 H new ATOM 0 HZ2 LYS A 12 1.157 -19.886 4.427 1.00 0.00 H new ATOM 0 HZ3 LYS A 12 0.778 -19.709 6.073 1.00 0.00 H new ATOM 147 N GLY A 13 -2.314 -13.065 2.353 1.00 0.00 N ATOM 148 CA GLY A 13 -1.922 -11.718 2.112 1.00 0.00 C ATOM 149 C GLY A 13 -2.867 -10.981 1.226 1.00 0.00 C ATOM 150 O GLY A 13 -2.694 -9.802 1.018 1.00 0.00 O ATOM 0 H GLY A 13 -2.273 -13.670 1.533 1.00 0.00 H new ATOM 0 HA2 GLY A 13 -1.843 -11.194 3.064 1.00 0.00 H new ATOM 0 HA3 GLY A 13 -0.930 -11.710 1.661 1.00 0.00 H new ATOM 154 N LEU A 14 -3.836 -11.664 0.678 1.00 0.00 N ATOM 155 CA LEU A 14 -4.799 -11.047 -0.189 1.00 0.00 C ATOM 156 C LEU A 14 -6.188 -11.509 0.209 1.00 0.00 C ATOM 157 O LEU A 14 -6.457 -12.717 0.235 1.00 0.00 O ATOM 158 CB LEU A 14 -4.468 -11.451 -1.613 1.00 0.00 C ATOM 159 CG LEU A 14 -5.014 -10.641 -2.751 1.00 0.00 C ATOM 160 CD1 LEU A 14 -4.292 -11.042 -3.987 1.00 0.00 C ATOM 161 CD2 LEU A 14 -6.485 -10.849 -2.956 1.00 0.00 C ATOM 0 H LEU A 14 -3.979 -12.664 0.821 1.00 0.00 H new ATOM 0 HA LEU A 14 -4.770 -9.960 -0.110 1.00 0.00 H new ATOM 0 HB2 LEU A 14 -3.382 -11.458 -1.707 1.00 0.00 H new ATOM 0 HB3 LEU A 14 -4.807 -12.478 -1.749 1.00 0.00 H new ATOM 0 HG LEU A 14 -4.868 -9.586 -2.518 1.00 0.00 H new ATOM 0 HD11 LEU A 14 -4.670 -10.467 -4.832 1.00 0.00 H new ATOM 0 HD12 LEU A 14 -3.226 -10.849 -3.865 1.00 0.00 H new ATOM 0 HD13 LEU A 14 -4.449 -12.105 -4.172 1.00 0.00 H new ATOM 0 HD21 LEU A 14 -6.826 -10.238 -3.792 1.00 0.00 H new ATOM 0 HD22 LEU A 14 -6.677 -11.900 -3.172 1.00 0.00 H new ATOM 0 HD23 LEU A 14 -7.023 -10.560 -2.053 1.00 0.00 H new ATOM 173 N GLU A 15 -7.065 -10.577 0.491 1.00 0.00 N ATOM 174 CA GLU A 15 -8.402 -10.931 0.903 1.00 0.00 C ATOM 175 C GLU A 15 -9.391 -10.173 0.012 1.00 0.00 C ATOM 176 O GLU A 15 -9.737 -9.045 0.306 1.00 0.00 O ATOM 177 CB GLU A 15 -8.595 -10.613 2.371 1.00 0.00 C ATOM 178 CG GLU A 15 -9.684 -11.383 3.049 1.00 0.00 C ATOM 179 CD GLU A 15 -11.042 -11.148 2.476 1.00 0.00 C ATOM 180 OE1 GLU A 15 -11.589 -10.054 2.663 1.00 0.00 O ATOM 181 OE2 GLU A 15 -11.589 -12.070 1.829 1.00 0.00 O ATOM 0 H GLU A 15 -6.880 -9.575 0.444 1.00 0.00 H new ATOM 0 HA GLU A 15 -8.575 -12.001 0.788 1.00 0.00 H new ATOM 0 HB2 GLU A 15 -7.658 -10.802 2.894 1.00 0.00 H new ATOM 0 HB3 GLU A 15 -8.807 -9.549 2.471 1.00 0.00 H new ATOM 0 HG2 GLU A 15 -9.455 -12.447 2.988 1.00 0.00 H new ATOM 0 HG3 GLU A 15 -9.697 -11.120 4.107 1.00 0.00 H new ATOM 188 N GLN A 16 -9.838 -10.810 -1.052 1.00 0.00 N ATOM 189 CA GLN A 16 -10.662 -10.154 -2.084 1.00 0.00 C ATOM 190 C GLN A 16 -11.926 -9.477 -1.544 1.00 0.00 C ATOM 191 O GLN A 16 -12.300 -8.393 -1.998 1.00 0.00 O ATOM 192 CB GLN A 16 -11.105 -11.147 -3.148 1.00 0.00 C ATOM 193 CG GLN A 16 -9.993 -11.868 -3.876 1.00 0.00 C ATOM 194 CD GLN A 16 -10.531 -12.725 -5.008 1.00 0.00 C ATOM 195 OE1 GLN A 16 -11.628 -13.275 -4.924 1.00 0.00 O ATOM 196 NE2 GLN A 16 -9.795 -12.806 -6.087 1.00 0.00 N ATOM 0 H GLN A 16 -9.649 -11.795 -1.238 1.00 0.00 H new ATOM 0 HA GLN A 16 -10.009 -9.386 -2.498 1.00 0.00 H new ATOM 0 HB2 GLN A 16 -11.749 -11.891 -2.679 1.00 0.00 H new ATOM 0 HB3 GLN A 16 -11.712 -10.618 -3.883 1.00 0.00 H new ATOM 0 HG2 GLN A 16 -9.286 -11.140 -4.274 1.00 0.00 H new ATOM 0 HG3 GLN A 16 -9.444 -12.495 -3.173 1.00 0.00 H new ATOM 0 HE21 GLN A 16 -8.890 -12.337 -6.123 1.00 0.00 H new ATOM 0 HE22 GLN A 16 -10.127 -13.338 -6.892 1.00 0.00 H new ATOM 205 N GLY A 17 -12.565 -10.128 -0.582 1.00 0.00 N ATOM 206 CA GLY A 17 -13.839 -9.681 -0.052 1.00 0.00 C ATOM 207 C GLY A 17 -13.806 -8.287 0.527 1.00 0.00 C ATOM 208 O GLY A 17 -14.648 -7.437 0.179 1.00 0.00 O ATOM 0 H GLY A 17 -12.212 -10.981 -0.149 1.00 0.00 H new ATOM 0 HA2 GLY A 17 -14.584 -9.716 -0.847 1.00 0.00 H new ATOM 0 HA3 GLY A 17 -14.164 -10.377 0.721 1.00 0.00 H new ATOM 212 N ASN A 18 -12.848 -8.032 1.389 1.00 0.00 N ATOM 213 CA ASN A 18 -12.747 -6.726 2.029 1.00 0.00 C ATOM 214 C ASN A 18 -12.111 -5.719 1.072 1.00 0.00 C ATOM 215 O ASN A 18 -12.382 -4.534 1.165 1.00 0.00 O ATOM 216 CB ASN A 18 -11.987 -6.801 3.382 1.00 0.00 C ATOM 217 CG ASN A 18 -10.506 -6.614 3.278 1.00 0.00 C ATOM 218 OD1 ASN A 18 -9.978 -5.523 3.473 1.00 0.00 O ATOM 219 ND2 ASN A 18 -9.842 -7.650 2.961 1.00 0.00 N ATOM 0 H ASN A 18 -12.130 -8.701 1.666 1.00 0.00 H new ATOM 0 HA ASN A 18 -13.755 -6.383 2.263 1.00 0.00 H new ATOM 0 HB2 ASN A 18 -12.389 -6.041 4.052 1.00 0.00 H new ATOM 0 HB3 ASN A 18 -12.186 -7.769 3.842 1.00 0.00 H new ATOM 0 HD21 ASN A 18 -8.829 -7.595 2.859 1.00 0.00 H new ATOM 0 HD22 ASN A 18 -10.322 -8.537 2.808 1.00 0.00 H new ATOM 226 N LEU A 19 -11.306 -6.218 0.115 1.00 0.00 N ATOM 227 CA LEU A 19 -10.659 -5.374 -0.928 1.00 0.00 C ATOM 228 C LEU A 19 -11.666 -4.538 -1.650 1.00 0.00 C ATOM 229 O LEU A 19 -11.485 -3.335 -1.794 1.00 0.00 O ATOM 230 CB LEU A 19 -9.909 -6.229 -1.956 1.00 0.00 C ATOM 231 CG LEU A 19 -8.454 -6.617 -1.672 1.00 0.00 C ATOM 232 CD1 LEU A 19 -7.504 -5.665 -2.344 1.00 0.00 C ATOM 233 CD2 LEU A 19 -8.148 -6.628 -0.211 1.00 0.00 C ATOM 0 H LEU A 19 -11.082 -7.210 0.036 1.00 0.00 H new ATOM 0 HA LEU A 19 -9.951 -4.728 -0.409 1.00 0.00 H new ATOM 0 HB2 LEU A 19 -10.475 -7.150 -2.095 1.00 0.00 H new ATOM 0 HB3 LEU A 19 -9.929 -5.696 -2.906 1.00 0.00 H new ATOM 0 HG LEU A 19 -8.325 -7.624 -2.069 1.00 0.00 H new ATOM 0 HD11 LEU A 19 -6.478 -5.962 -2.127 1.00 0.00 H new ATOM 0 HD12 LEU A 19 -7.668 -5.687 -3.421 1.00 0.00 H new ATOM 0 HD13 LEU A 19 -7.676 -4.655 -1.971 1.00 0.00 H new ATOM 0 HD21 LEU A 19 -7.106 -6.909 -0.060 1.00 0.00 H new ATOM 0 HD22 LEU A 19 -8.320 -5.635 0.204 1.00 0.00 H new ATOM 0 HD23 LEU A 19 -8.794 -7.348 0.291 1.00 0.00 H new ATOM 245 N LYS A 20 -12.748 -5.165 -2.064 1.00 0.00 N ATOM 246 CA LYS A 20 -13.834 -4.487 -2.782 1.00 0.00 C ATOM 247 C LYS A 20 -14.324 -3.289 -1.949 1.00 0.00 C ATOM 248 O LYS A 20 -14.409 -2.163 -2.447 1.00 0.00 O ATOM 249 CB LYS A 20 -15.013 -5.450 -3.001 1.00 0.00 C ATOM 250 CG LYS A 20 -14.645 -6.852 -3.499 1.00 0.00 C ATOM 251 CD LYS A 20 -14.141 -6.888 -4.912 1.00 0.00 C ATOM 252 CE LYS A 20 -15.265 -6.603 -5.912 1.00 0.00 C ATOM 253 NZ LYS A 20 -14.867 -6.843 -7.308 1.00 0.00 N ATOM 0 H LYS A 20 -12.910 -6.161 -1.917 1.00 0.00 H new ATOM 0 HA LYS A 20 -13.459 -4.150 -3.748 1.00 0.00 H new ATOM 0 HB2 LYS A 20 -15.556 -5.550 -2.061 1.00 0.00 H new ATOM 0 HB3 LYS A 20 -15.698 -4.998 -3.718 1.00 0.00 H new ATOM 0 HG2 LYS A 20 -13.883 -7.271 -2.842 1.00 0.00 H new ATOM 0 HG3 LYS A 20 -15.521 -7.495 -3.421 1.00 0.00 H new ATOM 0 HD2 LYS A 20 -13.346 -6.152 -5.036 1.00 0.00 H new ATOM 0 HD3 LYS A 20 -13.706 -7.865 -5.120 1.00 0.00 H new ATOM 0 HE2 LYS A 20 -16.124 -7.229 -5.672 1.00 0.00 H new ATOM 0 HE3 LYS A 20 -15.586 -5.567 -5.804 1.00 0.00 H new ATOM 0 HZ1 LYS A 20 -15.559 -6.402 -7.947 1.00 0.00 H new ATOM 0 HZ2 LYS A 20 -13.927 -6.430 -7.477 1.00 0.00 H new ATOM 0 HZ3 LYS A 20 -14.833 -7.867 -7.488 1.00 0.00 H new ATOM 267 N LYS A 21 -14.481 -3.508 -0.650 1.00 0.00 N ATOM 268 CA LYS A 21 -15.079 -2.519 0.223 1.00 0.00 C ATOM 269 C LYS A 21 -14.060 -1.446 0.558 1.00 0.00 C ATOM 270 O LYS A 21 -14.403 -0.298 0.840 1.00 0.00 O ATOM 271 CB LYS A 21 -15.509 -3.207 1.488 1.00 0.00 C ATOM 272 CG LYS A 21 -16.389 -4.397 1.229 1.00 0.00 C ATOM 273 CD LYS A 21 -16.569 -5.276 2.447 1.00 0.00 C ATOM 274 CE LYS A 21 -17.412 -4.645 3.586 1.00 0.00 C ATOM 275 NZ LYS A 21 -16.722 -3.566 4.342 1.00 0.00 N ATOM 0 H LYS A 21 -14.199 -4.368 -0.180 1.00 0.00 H new ATOM 0 HA LYS A 21 -15.934 -2.055 -0.269 1.00 0.00 H new ATOM 0 HB2 LYS A 21 -14.626 -3.527 2.041 1.00 0.00 H new ATOM 0 HB3 LYS A 21 -16.042 -2.497 2.120 1.00 0.00 H new ATOM 0 HG2 LYS A 21 -17.366 -4.052 0.889 1.00 0.00 H new ATOM 0 HG3 LYS A 21 -15.961 -4.989 0.420 1.00 0.00 H new ATOM 0 HD2 LYS A 21 -17.042 -6.208 2.138 1.00 0.00 H new ATOM 0 HD3 LYS A 21 -15.586 -5.532 2.841 1.00 0.00 H new ATOM 0 HE2 LYS A 21 -18.331 -4.242 3.160 1.00 0.00 H new ATOM 0 HE3 LYS A 21 -17.702 -5.431 4.283 1.00 0.00 H new ATOM 0 HZ1 LYS A 21 -16.916 -3.675 5.358 1.00 0.00 H new ATOM 0 HZ2 LYS A 21 -15.697 -3.627 4.177 1.00 0.00 H new ATOM 0 HZ3 LYS A 21 -17.070 -2.640 4.021 1.00 0.00 H new ATOM 289 N ALA A 22 -12.817 -1.818 0.473 1.00 0.00 N ATOM 290 CA ALA A 22 -11.736 -0.963 0.827 1.00 0.00 C ATOM 291 C ALA A 22 -11.374 -0.031 -0.318 1.00 0.00 C ATOM 292 O ALA A 22 -10.899 1.082 -0.091 1.00 0.00 O ATOM 293 CB ALA A 22 -10.544 -1.809 1.226 1.00 0.00 C ATOM 0 H ALA A 22 -12.527 -2.741 0.150 1.00 0.00 H new ATOM 0 HA ALA A 22 -12.038 -0.340 1.669 1.00 0.00 H new ATOM 0 HB1 ALA A 22 -9.712 -1.160 1.498 1.00 0.00 H new ATOM 0 HB2 ALA A 22 -10.811 -2.434 2.078 1.00 0.00 H new ATOM 0 HB3 ALA A 22 -10.251 -2.442 0.389 1.00 0.00 H new ATOM 299 N LEU A 23 -11.599 -0.474 -1.546 1.00 0.00 N ATOM 300 CA LEU A 23 -11.243 0.322 -2.704 1.00 0.00 C ATOM 301 C LEU A 23 -12.425 1.151 -3.199 1.00 0.00 C ATOM 302 O LEU A 23 -12.275 1.947 -4.120 1.00 0.00 O ATOM 303 CB LEU A 23 -10.717 -0.552 -3.848 1.00 0.00 C ATOM 304 CG LEU A 23 -9.739 -1.667 -3.468 1.00 0.00 C ATOM 305 CD1 LEU A 23 -9.212 -2.366 -4.681 1.00 0.00 C ATOM 306 CD2 LEU A 23 -8.610 -1.218 -2.543 1.00 0.00 C ATOM 0 H LEU A 23 -12.024 -1.376 -1.763 1.00 0.00 H new ATOM 0 HA LEU A 23 -10.449 0.998 -2.385 1.00 0.00 H new ATOM 0 HB2 LEU A 23 -11.572 -1.006 -4.350 1.00 0.00 H new ATOM 0 HB3 LEU A 23 -10.228 0.097 -4.575 1.00 0.00 H new ATOM 0 HG LEU A 23 -10.321 -2.381 -2.885 1.00 0.00 H new ATOM 0 HD11 LEU A 23 -8.521 -3.152 -4.377 1.00 0.00 H new ATOM 0 HD12 LEU A 23 -10.040 -2.807 -5.236 1.00 0.00 H new ATOM 0 HD13 LEU A 23 -8.690 -1.650 -5.316 1.00 0.00 H new ATOM 0 HD21 LEU A 23 -7.962 -2.066 -2.322 1.00 0.00 H new ATOM 0 HD22 LEU A 23 -8.029 -0.435 -3.031 1.00 0.00 H new ATOM 0 HD23 LEU A 23 -9.032 -0.832 -1.615 1.00 0.00 H new ATOM 318 N VAL A 24 -13.584 0.960 -2.586 1.00 0.00 N ATOM 319 CA VAL A 24 -14.828 1.700 -2.958 1.00 0.00 C ATOM 320 C VAL A 24 -14.599 3.219 -3.054 1.00 0.00 C ATOM 321 O VAL A 24 -14.727 3.820 -4.128 1.00 0.00 O ATOM 322 CB VAL A 24 -16.014 1.449 -1.963 1.00 0.00 C ATOM 323 CG1 VAL A 24 -17.210 2.324 -2.306 1.00 0.00 C ATOM 324 CG2 VAL A 24 -16.449 0.016 -1.981 1.00 0.00 C ATOM 0 H VAL A 24 -13.711 0.298 -1.820 1.00 0.00 H new ATOM 0 HA VAL A 24 -15.096 1.304 -3.938 1.00 0.00 H new ATOM 0 HB VAL A 24 -15.648 1.702 -0.968 1.00 0.00 H new ATOM 0 HG11 VAL A 24 -18.018 2.129 -1.600 1.00 0.00 H new ATOM 0 HG12 VAL A 24 -16.922 3.374 -2.247 1.00 0.00 H new ATOM 0 HG13 VAL A 24 -17.549 2.097 -3.317 1.00 0.00 H new ATOM 0 HG21 VAL A 24 -17.272 -0.123 -1.280 1.00 0.00 H new ATOM 0 HG22 VAL A 24 -16.778 -0.252 -2.985 1.00 0.00 H new ATOM 0 HG23 VAL A 24 -15.614 -0.621 -1.691 1.00 0.00 H new ATOM 334 N ASN A 25 -14.239 3.818 -1.951 1.00 0.00 N ATOM 335 CA ASN A 25 -14.089 5.263 -1.874 1.00 0.00 C ATOM 336 C ASN A 25 -12.657 5.617 -1.622 1.00 0.00 C ATOM 337 O ASN A 25 -12.342 6.700 -1.100 1.00 0.00 O ATOM 338 CB ASN A 25 -14.964 5.837 -0.755 1.00 0.00 C ATOM 339 CG ASN A 25 -16.452 5.755 -1.039 1.00 0.00 C ATOM 340 OD1 ASN A 25 -16.888 5.834 -2.191 1.00 0.00 O ATOM 341 ND2 ASN A 25 -17.239 5.591 -0.007 1.00 0.00 N ATOM 0 H ASN A 25 -14.040 3.329 -1.078 1.00 0.00 H new ATOM 0 HA ASN A 25 -14.407 5.692 -2.824 1.00 0.00 H new ATOM 0 HB2 ASN A 25 -14.750 5.303 0.171 1.00 0.00 H new ATOM 0 HB3 ASN A 25 -14.692 6.880 -0.592 1.00 0.00 H new ATOM 0 HD21 ASN A 25 -18.248 5.524 -0.141 1.00 0.00 H new ATOM 0 HD22 ASN A 25 -16.844 5.530 0.931 1.00 0.00 H new ATOM 348 N VAL A 26 -11.796 4.728 -2.001 1.00 0.00 N ATOM 349 CA VAL A 26 -10.414 4.872 -1.787 1.00 0.00 C ATOM 350 C VAL A 26 -9.789 5.910 -2.718 1.00 0.00 C ATOM 351 O VAL A 26 -10.315 6.225 -3.798 1.00 0.00 O ATOM 352 CB VAL A 26 -9.733 3.508 -1.972 1.00 0.00 C ATOM 353 CG1 VAL A 26 -9.423 3.150 -3.387 1.00 0.00 C ATOM 354 CG2 VAL A 26 -8.588 3.323 -1.077 1.00 0.00 C ATOM 0 H VAL A 26 -12.053 3.864 -2.479 1.00 0.00 H new ATOM 0 HA VAL A 26 -10.263 5.231 -0.769 1.00 0.00 H new ATOM 0 HB VAL A 26 -10.490 2.784 -1.671 1.00 0.00 H new ATOM 0 HG11 VAL A 26 -8.944 2.171 -3.418 1.00 0.00 H new ATOM 0 HG12 VAL A 26 -10.346 3.121 -3.966 1.00 0.00 H new ATOM 0 HG13 VAL A 26 -8.752 3.896 -3.812 1.00 0.00 H new ATOM 0 HG21 VAL A 26 -8.145 2.342 -1.251 1.00 0.00 H new ATOM 0 HG22 VAL A 26 -7.845 4.096 -1.272 1.00 0.00 H new ATOM 0 HG23 VAL A 26 -8.921 3.392 -0.041 1.00 0.00 H new ATOM 364 N GLU A 27 -8.696 6.411 -2.275 1.00 0.00 N ATOM 365 CA GLU A 27 -7.878 7.304 -2.980 1.00 0.00 C ATOM 366 C GLU A 27 -6.842 6.495 -3.652 1.00 0.00 C ATOM 367 O GLU A 27 -6.403 5.526 -3.114 1.00 0.00 O ATOM 368 CB GLU A 27 -7.216 8.328 -2.054 1.00 0.00 C ATOM 369 CG GLU A 27 -6.658 7.793 -0.737 1.00 0.00 C ATOM 370 CD GLU A 27 -7.731 7.416 0.273 1.00 0.00 C ATOM 371 OE1 GLU A 27 -8.332 8.319 0.877 1.00 0.00 O ATOM 372 OE2 GLU A 27 -8.023 6.222 0.444 1.00 0.00 O ATOM 0 H GLU A 27 -8.332 6.189 -1.348 1.00 0.00 H new ATOM 0 HA GLU A 27 -8.479 7.868 -3.693 1.00 0.00 H new ATOM 0 HB2 GLU A 27 -6.403 8.807 -2.600 1.00 0.00 H new ATOM 0 HB3 GLU A 27 -7.947 9.104 -1.825 1.00 0.00 H new ATOM 0 HG2 GLU A 27 -6.041 6.918 -0.943 1.00 0.00 H new ATOM 0 HG3 GLU A 27 -6.005 8.547 -0.296 1.00 0.00 H new ATOM 379 N TRP A 28 -6.530 6.812 -4.817 1.00 0.00 N ATOM 380 CA TRP A 28 -5.531 6.089 -5.540 1.00 0.00 C ATOM 381 C TRP A 28 -4.245 6.798 -5.687 1.00 0.00 C ATOM 382 O TRP A 28 -4.202 7.994 -5.986 1.00 0.00 O ATOM 383 CB TRP A 28 -6.069 5.564 -6.811 1.00 0.00 C ATOM 384 CG TRP A 28 -6.852 4.346 -6.578 1.00 0.00 C ATOM 385 CD1 TRP A 28 -8.161 4.153 -6.792 1.00 0.00 C ATOM 386 CD2 TRP A 28 -6.349 3.145 -6.035 1.00 0.00 C ATOM 387 NE1 TRP A 28 -8.512 2.886 -6.432 1.00 0.00 N ATOM 388 CE2 TRP A 28 -7.404 2.250 -5.970 1.00 0.00 C ATOM 389 CE3 TRP A 28 -5.090 2.743 -5.605 1.00 0.00 C ATOM 390 CZ2 TRP A 28 -7.251 0.985 -5.507 1.00 0.00 C ATOM 391 CZ3 TRP A 28 -4.941 1.475 -5.131 1.00 0.00 C ATOM 392 CH2 TRP A 28 -6.018 0.608 -5.090 1.00 0.00 C ATOM 0 H TRP A 28 -6.949 7.587 -5.331 1.00 0.00 H new ATOM 0 HA TRP A 28 -5.270 5.231 -4.921 1.00 0.00 H new ATOM 0 HB2 TRP A 28 -6.695 6.319 -7.286 1.00 0.00 H new ATOM 0 HB3 TRP A 28 -5.250 5.350 -7.498 1.00 0.00 H new ATOM 0 HD1 TRP A 28 -8.839 4.893 -7.191 1.00 0.00 H new ATOM 0 HE1 TRP A 28 -9.447 2.484 -6.498 1.00 0.00 H new ATOM 0 HE3 TRP A 28 -4.250 3.420 -5.646 1.00 0.00 H new ATOM 0 HZ2 TRP A 28 -8.085 0.300 -5.472 1.00 0.00 H new ATOM 0 HZ3 TRP A 28 -3.973 1.143 -4.784 1.00 0.00 H new ATOM 0 HH2 TRP A 28 -5.873 -0.395 -4.716 1.00 0.00 H new ATOM 403 N ASN A 29 -3.188 6.038 -5.435 1.00 0.00 N ATOM 404 CA ASN A 29 -1.820 6.506 -5.417 1.00 0.00 C ATOM 405 C ASN A 29 -1.623 7.503 -4.323 1.00 0.00 C ATOM 406 O ASN A 29 -0.712 8.336 -4.353 1.00 0.00 O ATOM 407 CB ASN A 29 -1.356 6.995 -6.774 1.00 0.00 C ATOM 408 CG ASN A 29 -0.808 5.879 -7.612 1.00 0.00 C ATOM 409 OD1 ASN A 29 -1.529 5.229 -8.359 1.00 0.00 O ATOM 410 ND2 ASN A 29 0.477 5.652 -7.514 1.00 0.00 N ATOM 0 H ASN A 29 -3.269 5.042 -5.231 1.00 0.00 H new ATOM 0 HA ASN A 29 -1.173 5.657 -5.194 1.00 0.00 H new ATOM 0 HB2 ASN A 29 -2.190 7.465 -7.295 1.00 0.00 H new ATOM 0 HB3 ASN A 29 -0.591 7.760 -6.642 1.00 0.00 H new ATOM 0 HD21 ASN A 29 0.908 4.914 -8.070 1.00 0.00 H new ATOM 0 HD22 ASN A 29 1.047 6.213 -6.881 1.00 0.00 H new ATOM 417 N ILE A 30 -2.453 7.370 -3.307 1.00 0.00 N ATOM 418 CA ILE A 30 -2.386 8.205 -2.174 1.00 0.00 C ATOM 419 C ILE A 30 -2.329 7.332 -0.970 1.00 0.00 C ATOM 420 O ILE A 30 -3.316 6.682 -0.628 1.00 0.00 O ATOM 421 CB ILE A 30 -3.605 9.169 -2.071 1.00 0.00 C ATOM 422 CG1 ILE A 30 -3.666 10.080 -3.304 1.00 0.00 C ATOM 423 CG2 ILE A 30 -3.552 9.995 -0.772 1.00 0.00 C ATOM 424 CD1 ILE A 30 -4.794 11.084 -3.300 1.00 0.00 C ATOM 0 H ILE A 30 -3.191 6.667 -3.266 1.00 0.00 H new ATOM 0 HA ILE A 30 -1.499 8.833 -2.254 1.00 0.00 H new ATOM 0 HB ILE A 30 -4.515 8.570 -2.040 1.00 0.00 H new ATOM 0 HG12 ILE A 30 -2.721 10.618 -3.387 1.00 0.00 H new ATOM 0 HG13 ILE A 30 -3.757 9.457 -4.194 1.00 0.00 H new ATOM 0 HG21 ILE A 30 -4.415 10.659 -0.727 1.00 0.00 H new ATOM 0 HG22 ILE A 30 -3.566 9.324 0.087 1.00 0.00 H new ATOM 0 HG23 ILE A 30 -2.637 10.588 -0.755 1.00 0.00 H new ATOM 0 HD11 ILE A 30 -4.753 11.681 -4.211 1.00 0.00 H new ATOM 0 HD12 ILE A 30 -5.748 10.559 -3.252 1.00 0.00 H new ATOM 0 HD13 ILE A 30 -4.696 11.738 -2.433 1.00 0.00 H new ATOM 436 N CYS A 31 -1.152 7.218 -0.403 1.00 0.00 N ATOM 437 CA CYS A 31 -0.985 6.538 0.840 1.00 0.00 C ATOM 438 C CYS A 31 -1.906 7.150 1.886 1.00 0.00 C ATOM 439 O CYS A 31 -1.706 8.264 2.349 1.00 0.00 O ATOM 440 CB CYS A 31 0.498 6.508 1.264 1.00 0.00 C ATOM 441 SG CYS A 31 0.850 6.135 2.972 1.00 0.00 S ATOM 0 H CYS A 31 -0.290 7.596 -0.796 1.00 0.00 H new ATOM 0 HA CYS A 31 -1.276 5.493 0.730 1.00 0.00 H new ATOM 0 HB2 CYS A 31 1.012 5.772 0.645 1.00 0.00 H new ATOM 0 HB3 CYS A 31 0.935 7.480 1.033 1.00 0.00 H new ATOM 446 N GLN A 32 -2.936 6.414 2.193 1.00 0.00 N ATOM 447 CA GLN A 32 -3.988 6.796 3.156 1.00 0.00 C ATOM 448 C GLN A 32 -3.357 7.102 4.488 1.00 0.00 C ATOM 449 O GLN A 32 -3.777 7.988 5.217 1.00 0.00 O ATOM 450 CB GLN A 32 -4.938 5.633 3.362 1.00 0.00 C ATOM 451 CG GLN A 32 -5.178 4.822 2.145 1.00 0.00 C ATOM 452 CD GLN A 32 -6.227 3.812 2.401 1.00 0.00 C ATOM 453 OE1 GLN A 32 -5.939 2.700 2.835 1.00 0.00 O ATOM 454 NE2 GLN A 32 -7.431 4.162 2.135 1.00 0.00 N ATOM 0 H GLN A 32 -3.093 5.496 1.778 1.00 0.00 H new ATOM 0 HA GLN A 32 -4.521 7.664 2.767 1.00 0.00 H new ATOM 0 HB2 GLN A 32 -4.539 4.986 4.143 1.00 0.00 H new ATOM 0 HB3 GLN A 32 -5.892 6.017 3.723 1.00 0.00 H new ATOM 0 HG2 GLN A 32 -5.480 5.469 1.322 1.00 0.00 H new ATOM 0 HG3 GLN A 32 -4.255 4.329 1.840 1.00 0.00 H new ATOM 0 HE21 GLN A 32 -7.623 5.097 1.776 1.00 0.00 H new ATOM 0 HE22 GLN A 32 -8.197 3.505 2.282 1.00 0.00 H new ATOM 463 N ASP A 33 -2.312 6.394 4.763 1.00 0.00 N ATOM 464 CA ASP A 33 -1.600 6.525 6.023 1.00 0.00 C ATOM 465 C ASP A 33 -0.807 7.854 6.075 1.00 0.00 C ATOM 466 O ASP A 33 -0.364 8.279 7.126 1.00 0.00 O ATOM 467 CB ASP A 33 -0.715 5.305 6.270 1.00 0.00 C ATOM 468 CG ASP A 33 -0.261 5.174 7.710 1.00 0.00 C ATOM 469 OD1 ASP A 33 -1.051 5.460 8.628 1.00 0.00 O ATOM 470 OD2 ASP A 33 0.865 4.719 7.947 1.00 0.00 O ATOM 0 H ASP A 33 -1.914 5.702 4.128 1.00 0.00 H new ATOM 0 HA ASP A 33 -2.327 6.562 6.835 1.00 0.00 H new ATOM 0 HB2 ASP A 33 -1.261 4.405 5.985 1.00 0.00 H new ATOM 0 HB3 ASP A 33 0.161 5.364 5.624 1.00 0.00 H new ATOM 475 N CYS A 34 -0.635 8.502 4.903 1.00 0.00 N ATOM 476 CA CYS A 34 -0.076 9.803 4.812 1.00 0.00 C ATOM 477 C CYS A 34 -1.115 10.849 5.157 1.00 0.00 C ATOM 478 O CYS A 34 -0.870 11.760 5.926 1.00 0.00 O ATOM 479 CB CYS A 34 0.403 10.063 3.391 1.00 0.00 C ATOM 480 SG CYS A 34 2.093 9.622 2.940 1.00 0.00 S ATOM 0 H CYS A 34 -0.894 8.103 4.001 1.00 0.00 H new ATOM 0 HA CYS A 34 0.758 9.863 5.511 1.00 0.00 H new ATOM 0 HB2 CYS A 34 -0.267 9.530 2.716 1.00 0.00 H new ATOM 0 HB3 CYS A 34 0.277 11.127 3.191 1.00 0.00 H new ATOM 485 N LYS A 35 -2.272 10.676 4.604 1.00 0.00 N ATOM 486 CA LYS A 35 -3.335 11.679 4.710 1.00 0.00 C ATOM 487 C LYS A 35 -4.041 11.631 6.033 1.00 0.00 C ATOM 488 O LYS A 35 -4.646 12.613 6.465 1.00 0.00 O ATOM 489 CB LYS A 35 -4.334 11.533 3.592 1.00 0.00 C ATOM 490 CG LYS A 35 -4.891 10.164 3.459 1.00 0.00 C ATOM 491 CD LYS A 35 -5.953 10.097 2.418 1.00 0.00 C ATOM 492 CE LYS A 35 -7.203 10.878 2.816 1.00 0.00 C ATOM 493 NZ LYS A 35 -8.248 10.791 1.789 1.00 0.00 N ATOM 0 H LYS A 35 -2.527 9.848 4.065 1.00 0.00 H new ATOM 0 HA LYS A 35 -2.847 12.651 4.630 1.00 0.00 H new ATOM 0 HB2 LYS A 35 -5.153 12.234 3.756 1.00 0.00 H new ATOM 0 HB3 LYS A 35 -3.857 11.814 2.653 1.00 0.00 H new ATOM 0 HG2 LYS A 35 -4.090 9.469 3.206 1.00 0.00 H new ATOM 0 HG3 LYS A 35 -5.301 9.844 4.417 1.00 0.00 H new ATOM 0 HD2 LYS A 35 -5.564 10.491 1.479 1.00 0.00 H new ATOM 0 HD3 LYS A 35 -6.219 9.055 2.240 1.00 0.00 H new ATOM 0 HE2 LYS A 35 -7.588 10.492 3.760 1.00 0.00 H new ATOM 0 HE3 LYS A 35 -6.942 11.923 2.981 1.00 0.00 H new ATOM 0 HZ1 LYS A 35 -9.099 11.291 2.117 1.00 0.00 H new ATOM 0 HZ2 LYS A 35 -7.907 11.228 0.909 1.00 0.00 H new ATOM 0 HZ3 LYS A 35 -8.479 9.792 1.613 1.00 0.00 H new ATOM 507 N THR A 36 -3.987 10.498 6.668 1.00 0.00 N ATOM 508 CA THR A 36 -4.571 10.364 7.955 1.00 0.00 C ATOM 509 C THR A 36 -3.550 10.711 9.010 1.00 0.00 C ATOM 510 O THR A 36 -3.827 10.663 10.213 1.00 0.00 O ATOM 511 CB THR A 36 -5.149 8.960 8.195 1.00 0.00 C ATOM 512 OG1 THR A 36 -4.182 7.969 7.823 1.00 0.00 O ATOM 513 CG2 THR A 36 -6.423 8.760 7.401 1.00 0.00 C ATOM 0 H THR A 36 -3.541 9.654 6.308 1.00 0.00 H new ATOM 0 HA THR A 36 -5.410 11.058 8.015 1.00 0.00 H new ATOM 0 HB THR A 36 -5.385 8.858 9.254 1.00 0.00 H new ATOM 0 HG1 THR A 36 -4.263 7.776 6.866 1.00 0.00 H new ATOM 0 HG21 THR A 36 -6.814 7.760 7.586 1.00 0.00 H new ATOM 0 HG22 THR A 36 -7.162 9.501 7.706 1.00 0.00 H new ATOM 0 HG23 THR A 36 -6.211 8.875 6.338 1.00 0.00 H new ATOM 521 N ASP A 37 -2.363 11.078 8.566 1.00 0.00 N ATOM 522 CA ASP A 37 -1.345 11.480 9.507 1.00 0.00 C ATOM 523 C ASP A 37 -1.335 12.975 9.602 1.00 0.00 C ATOM 524 O ASP A 37 -0.559 13.671 8.936 1.00 0.00 O ATOM 525 CB ASP A 37 0.055 10.975 9.185 1.00 0.00 C ATOM 526 CG ASP A 37 0.943 10.982 10.433 1.00 0.00 C ATOM 527 OD1 ASP A 37 1.219 12.061 11.011 1.00 0.00 O ATOM 528 OD2 ASP A 37 1.342 9.886 10.891 1.00 0.00 O ATOM 0 H ASP A 37 -2.087 11.105 7.584 1.00 0.00 H new ATOM 0 HA ASP A 37 -1.608 11.019 10.459 1.00 0.00 H new ATOM 0 HB2 ASP A 37 -0.003 9.964 8.782 1.00 0.00 H new ATOM 0 HB3 ASP A 37 0.502 11.601 8.413 1.00 0.00 H new ATOM 533 N ASN A 38 -2.269 13.474 10.349 1.00 0.00 N ATOM 534 CA ASN A 38 -2.364 14.907 10.605 1.00 0.00 C ATOM 535 C ASN A 38 -1.849 15.164 11.997 1.00 0.00 C ATOM 536 O ASN A 38 -2.157 16.171 12.634 1.00 0.00 O ATOM 537 CB ASN A 38 -3.809 15.405 10.472 1.00 0.00 C ATOM 538 CG ASN A 38 -4.414 15.105 9.110 1.00 0.00 C ATOM 539 OD1 ASN A 38 -4.248 15.864 8.155 1.00 0.00 O ATOM 540 ND2 ASN A 38 -5.160 14.028 9.018 1.00 0.00 N ATOM 0 H ASN A 38 -2.992 12.917 10.804 1.00 0.00 H new ATOM 0 HA ASN A 38 -1.769 15.448 9.869 1.00 0.00 H new ATOM 0 HB2 ASN A 38 -4.421 14.941 11.246 1.00 0.00 H new ATOM 0 HB3 ASN A 38 -3.835 16.481 10.647 1.00 0.00 H new ATOM 0 HD21 ASN A 38 -5.621 13.801 8.137 1.00 0.00 H new ATOM 0 HD22 ASN A 38 -5.278 13.419 9.827 1.00 0.00 H new ATOM 547 N LYS A 39 -1.035 14.236 12.442 1.00 0.00 N ATOM 548 CA LYS A 39 -0.427 14.248 13.747 1.00 0.00 C ATOM 549 C LYS A 39 0.655 15.289 13.766 1.00 0.00 C ATOM 550 O LYS A 39 0.814 16.029 14.738 1.00 0.00 O ATOM 551 CB LYS A 39 0.164 12.873 14.003 1.00 0.00 C ATOM 552 CG LYS A 39 -0.881 11.773 13.985 1.00 0.00 C ATOM 553 CD LYS A 39 -0.289 10.375 13.828 1.00 0.00 C ATOM 554 CE LYS A 39 0.565 9.889 15.015 1.00 0.00 C ATOM 555 NZ LYS A 39 1.939 10.437 15.014 1.00 0.00 N ATOM 0 H LYS A 39 -0.770 13.424 11.884 1.00 0.00 H new ATOM 0 HA LYS A 39 -1.159 14.483 14.519 1.00 0.00 H new ATOM 0 HB2 LYS A 39 0.921 12.661 13.248 1.00 0.00 H new ATOM 0 HB3 LYS A 39 0.669 12.873 14.969 1.00 0.00 H new ATOM 0 HG2 LYS A 39 -1.456 11.814 14.910 1.00 0.00 H new ATOM 0 HG3 LYS A 39 -1.578 11.958 13.168 1.00 0.00 H new ATOM 0 HD2 LYS A 39 -1.104 9.668 13.673 1.00 0.00 H new ATOM 0 HD3 LYS A 39 0.325 10.356 12.927 1.00 0.00 H new ATOM 0 HE2 LYS A 39 0.071 10.168 15.946 1.00 0.00 H new ATOM 0 HE3 LYS A 39 0.616 8.800 14.995 1.00 0.00 H new ATOM 0 HZ1 LYS A 39 2.600 9.716 15.367 1.00 0.00 H new ATOM 0 HZ2 LYS A 39 2.205 10.706 14.045 1.00 0.00 H new ATOM 0 HZ3 LYS A 39 1.979 11.274 15.629 1.00 0.00 H new ATOM 569 N VAL A 40 1.392 15.320 12.693 1.00 0.00 N ATOM 570 CA VAL A 40 2.440 16.289 12.483 1.00 0.00 C ATOM 571 C VAL A 40 1.896 17.520 11.753 1.00 0.00 C ATOM 572 O VAL A 40 0.700 17.580 11.431 1.00 0.00 O ATOM 573 CB VAL A 40 3.602 15.675 11.670 1.00 0.00 C ATOM 574 CG1 VAL A 40 4.355 14.662 12.503 1.00 0.00 C ATOM 575 CG2 VAL A 40 3.092 15.025 10.379 1.00 0.00 C ATOM 0 H VAL A 40 1.283 14.661 11.922 1.00 0.00 H new ATOM 0 HA VAL A 40 2.816 16.591 13.460 1.00 0.00 H new ATOM 0 HB VAL A 40 4.282 16.482 11.398 1.00 0.00 H new ATOM 0 HG11 VAL A 40 5.170 14.240 11.914 1.00 0.00 H new ATOM 0 HG12 VAL A 40 4.762 15.150 13.389 1.00 0.00 H new ATOM 0 HG13 VAL A 40 3.677 13.865 12.807 1.00 0.00 H new ATOM 0 HG21 VAL A 40 3.932 14.602 9.828 1.00 0.00 H new ATOM 0 HG22 VAL A 40 2.384 14.234 10.625 1.00 0.00 H new ATOM 0 HG23 VAL A 40 2.597 15.777 9.764 1.00 0.00 H new ATOM 585 N LYS A 41 2.758 18.504 11.505 1.00 0.00 N ATOM 586 CA LYS A 41 2.355 19.693 10.756 1.00 0.00 C ATOM 587 C LYS A 41 2.186 19.306 9.305 1.00 0.00 C ATOM 588 O LYS A 41 1.120 19.488 8.700 1.00 0.00 O ATOM 589 CB LYS A 41 3.405 20.809 10.840 1.00 0.00 C ATOM 590 CG LYS A 41 3.745 21.291 12.235 1.00 0.00 C ATOM 591 CD LYS A 41 4.636 22.521 12.150 1.00 0.00 C ATOM 592 CE LYS A 41 5.101 22.997 13.514 1.00 0.00 C ATOM 593 NZ LYS A 41 6.020 22.039 14.157 1.00 0.00 N ATOM 0 H LYS A 41 3.732 18.503 11.809 1.00 0.00 H new ATOM 0 HA LYS A 41 1.426 20.068 11.186 1.00 0.00 H new ATOM 0 HB2 LYS A 41 4.321 20.457 10.364 1.00 0.00 H new ATOM 0 HB3 LYS A 41 3.051 21.660 10.258 1.00 0.00 H new ATOM 0 HG2 LYS A 41 2.832 21.529 12.781 1.00 0.00 H new ATOM 0 HG3 LYS A 41 4.251 20.501 12.790 1.00 0.00 H new ATOM 0 HD2 LYS A 41 5.505 22.294 11.532 1.00 0.00 H new ATOM 0 HD3 LYS A 41 4.093 23.325 11.654 1.00 0.00 H new ATOM 0 HE2 LYS A 41 5.599 23.961 13.410 1.00 0.00 H new ATOM 0 HE3 LYS A 41 4.235 23.154 14.157 1.00 0.00 H new ATOM 0 HZ1 LYS A 41 6.442 22.476 15.001 1.00 0.00 H new ATOM 0 HZ2 LYS A 41 5.494 21.186 14.435 1.00 0.00 H new ATOM 0 HZ3 LYS A 41 6.773 21.778 13.489 1.00 0.00 H new ATOM 607 N ASP A 42 3.247 18.763 8.760 1.00 0.00 N ATOM 608 CA ASP A 42 3.279 18.266 7.412 1.00 0.00 C ATOM 609 C ASP A 42 4.219 17.108 7.388 1.00 0.00 C ATOM 610 O ASP A 42 5.033 16.939 8.300 1.00 0.00 O ATOM 611 CB ASP A 42 3.807 19.296 6.383 1.00 0.00 C ATOM 612 CG ASP A 42 2.979 20.557 6.232 1.00 0.00 C ATOM 613 OD1 ASP A 42 3.241 21.558 6.944 1.00 0.00 O ATOM 614 OD2 ASP A 42 2.070 20.585 5.375 1.00 0.00 O ATOM 0 H ASP A 42 4.132 18.653 9.256 1.00 0.00 H new ATOM 0 HA ASP A 42 2.256 18.013 7.134 1.00 0.00 H new ATOM 0 HB2 ASP A 42 4.820 19.580 6.668 1.00 0.00 H new ATOM 0 HB3 ASP A 42 3.874 18.809 5.410 1.00 0.00 H new ATOM 619 N LYS A 43 4.115 16.331 6.370 1.00 0.00 N ATOM 620 CA LYS A 43 5.008 15.215 6.131 1.00 0.00 C ATOM 621 C LYS A 43 6.176 15.735 5.320 1.00 0.00 C ATOM 622 O LYS A 43 7.302 15.243 5.405 1.00 0.00 O ATOM 623 CB LYS A 43 4.283 14.154 5.320 1.00 0.00 C ATOM 624 CG LYS A 43 3.080 13.546 6.008 1.00 0.00 C ATOM 625 CD LYS A 43 2.239 12.707 5.048 1.00 0.00 C ATOM 626 CE LYS A 43 1.334 13.545 4.101 1.00 0.00 C ATOM 627 NZ LYS A 43 2.058 14.436 3.162 1.00 0.00 N ATOM 0 H LYS A 43 3.397 16.442 5.654 1.00 0.00 H new ATOM 0 HA LYS A 43 5.343 14.782 7.073 1.00 0.00 H new ATOM 0 HB2 LYS A 43 3.961 14.594 4.376 1.00 0.00 H new ATOM 0 HB3 LYS A 43 4.987 13.358 5.077 1.00 0.00 H new ATOM 0 HG2 LYS A 43 3.413 12.923 6.838 1.00 0.00 H new ATOM 0 HG3 LYS A 43 2.464 14.340 6.432 1.00 0.00 H new ATOM 0 HD2 LYS A 43 2.904 12.088 4.445 1.00 0.00 H new ATOM 0 HD3 LYS A 43 1.612 12.030 5.628 1.00 0.00 H new ATOM 0 HE2 LYS A 43 0.711 12.863 3.522 1.00 0.00 H new ATOM 0 HE3 LYS A 43 0.663 14.152 4.709 1.00 0.00 H new ATOM 0 HZ1 LYS A 43 1.478 14.591 2.313 1.00 0.00 H new ATOM 0 HZ2 LYS A 43 2.246 15.349 3.624 1.00 0.00 H new ATOM 0 HZ3 LYS A 43 2.959 13.994 2.889 1.00 0.00 H new ATOM 641 N ALA A 44 5.855 16.757 4.555 1.00 0.00 N ATOM 642 CA ALA A 44 6.699 17.470 3.658 1.00 0.00 C ATOM 643 C ALA A 44 5.744 18.402 2.986 1.00 0.00 C ATOM 644 O ALA A 44 4.697 17.965 2.504 1.00 0.00 O ATOM 645 CB ALA A 44 7.352 16.543 2.631 1.00 0.00 C ATOM 0 H ALA A 44 4.907 17.133 4.556 1.00 0.00 H new ATOM 0 HA ALA A 44 7.527 17.967 4.163 1.00 0.00 H new ATOM 0 HB1 ALA A 44 7.988 17.127 1.966 1.00 0.00 H new ATOM 0 HB2 ALA A 44 7.956 15.796 3.147 1.00 0.00 H new ATOM 0 HB3 ALA A 44 6.578 16.044 2.048 1.00 0.00 H new ATOM 651 N GLU A 45 6.024 19.650 2.998 1.00 0.00 N ATOM 652 CA GLU A 45 5.097 20.606 2.467 1.00 0.00 C ATOM 653 C GLU A 45 5.431 20.959 1.024 1.00 0.00 C ATOM 654 O GLU A 45 4.832 21.866 0.449 1.00 0.00 O ATOM 655 CB GLU A 45 5.040 21.841 3.347 1.00 0.00 C ATOM 656 CG GLU A 45 6.327 22.648 3.396 1.00 0.00 C ATOM 657 CD GLU A 45 6.186 23.891 4.223 1.00 0.00 C ATOM 658 OE1 GLU A 45 6.347 23.825 5.468 1.00 0.00 O ATOM 659 OE2 GLU A 45 5.904 24.967 3.651 1.00 0.00 O ATOM 0 H GLU A 45 6.888 20.046 3.368 1.00 0.00 H new ATOM 0 HA GLU A 45 4.106 20.153 2.464 1.00 0.00 H new ATOM 0 HB2 GLU A 45 4.236 22.486 2.992 1.00 0.00 H new ATOM 0 HB3 GLU A 45 4.780 21.536 4.361 1.00 0.00 H new ATOM 0 HG2 GLU A 45 7.126 22.030 3.806 1.00 0.00 H new ATOM 0 HG3 GLU A 45 6.622 22.920 2.382 1.00 0.00 H new ATOM 666 N GLU A 46 6.383 20.227 0.462 1.00 0.00 N ATOM 667 CA GLU A 46 6.833 20.343 -0.891 1.00 0.00 C ATOM 668 C GLU A 46 5.644 20.340 -1.875 1.00 0.00 C ATOM 669 O GLU A 46 5.194 21.401 -2.304 1.00 0.00 O ATOM 670 CB GLU A 46 7.767 19.163 -1.150 1.00 0.00 C ATOM 671 CG GLU A 46 8.471 19.196 -2.456 1.00 0.00 C ATOM 672 CD GLU A 46 9.295 17.960 -2.678 1.00 0.00 C ATOM 673 OE1 GLU A 46 10.396 17.857 -2.110 1.00 0.00 O ATOM 674 OE2 GLU A 46 8.845 17.061 -3.409 1.00 0.00 O ATOM 0 H GLU A 46 6.880 19.501 0.978 1.00 0.00 H new ATOM 0 HA GLU A 46 7.355 21.287 -1.044 1.00 0.00 H new ATOM 0 HB2 GLU A 46 8.511 19.126 -0.354 1.00 0.00 H new ATOM 0 HB3 GLU A 46 7.189 18.241 -1.089 1.00 0.00 H new ATOM 0 HG2 GLU A 46 7.741 19.295 -3.260 1.00 0.00 H new ATOM 0 HG3 GLU A 46 9.115 20.074 -2.500 1.00 0.00 H new ATOM 681 N GLU A 47 5.145 19.142 -2.168 1.00 0.00 N ATOM 682 CA GLU A 47 4.027 18.845 -3.011 1.00 0.00 C ATOM 683 C GLU A 47 4.152 17.384 -3.395 1.00 0.00 C ATOM 684 O GLU A 47 3.326 16.549 -3.040 1.00 0.00 O ATOM 685 CB GLU A 47 3.997 19.660 -4.296 1.00 0.00 C ATOM 686 CG GLU A 47 2.805 19.305 -5.105 1.00 0.00 C ATOM 687 CD GLU A 47 2.729 20.012 -6.428 1.00 0.00 C ATOM 688 OE1 GLU A 47 3.281 19.497 -7.415 1.00 0.00 O ATOM 689 OE2 GLU A 47 2.115 21.093 -6.510 1.00 0.00 O ATOM 0 H GLU A 47 5.559 18.294 -1.781 1.00 0.00 H new ATOM 0 HA GLU A 47 3.116 19.083 -2.462 1.00 0.00 H new ATOM 0 HB2 GLU A 47 3.980 20.724 -4.059 1.00 0.00 H new ATOM 0 HB3 GLU A 47 4.904 19.476 -4.872 1.00 0.00 H new ATOM 0 HG2 GLU A 47 2.805 18.229 -5.280 1.00 0.00 H new ATOM 0 HG3 GLU A 47 1.908 19.535 -4.530 1.00 0.00 H new ATOM 696 N THR A 48 5.230 17.096 -4.092 1.00 0.00 N ATOM 697 CA THR A 48 5.524 15.789 -4.602 1.00 0.00 C ATOM 698 C THR A 48 5.981 14.874 -3.463 1.00 0.00 C ATOM 699 O THR A 48 5.576 13.706 -3.396 1.00 0.00 O ATOM 700 CB THR A 48 6.652 15.932 -5.637 1.00 0.00 C ATOM 701 OG1 THR A 48 6.425 17.142 -6.371 1.00 0.00 O ATOM 702 CG2 THR A 48 6.652 14.770 -6.619 1.00 0.00 C ATOM 0 H THR A 48 5.942 17.790 -4.322 1.00 0.00 H new ATOM 0 HA THR A 48 4.636 15.352 -5.060 1.00 0.00 H new ATOM 0 HB THR A 48 7.610 15.946 -5.117 1.00 0.00 H new ATOM 0 HG1 THR A 48 7.133 17.258 -7.038 1.00 0.00 H new ATOM 0 HG21 THR A 48 7.461 14.901 -7.338 1.00 0.00 H new ATOM 0 HG22 THR A 48 6.796 13.835 -6.077 1.00 0.00 H new ATOM 0 HG23 THR A 48 5.699 14.740 -7.147 1.00 0.00 H new ATOM 710 N GLU A 49 6.822 15.445 -2.563 1.00 0.00 N ATOM 711 CA GLU A 49 7.400 14.747 -1.396 1.00 0.00 C ATOM 712 C GLU A 49 8.392 13.741 -1.925 1.00 0.00 C ATOM 713 O GLU A 49 8.530 12.625 -1.397 1.00 0.00 O ATOM 714 CB GLU A 49 6.316 14.048 -0.560 1.00 0.00 C ATOM 715 CG GLU A 49 5.213 14.969 -0.076 1.00 0.00 C ATOM 716 CD GLU A 49 4.114 14.222 0.636 1.00 0.00 C ATOM 717 OE1 GLU A 49 4.257 13.897 1.839 1.00 0.00 O ATOM 718 OE2 GLU A 49 3.073 13.938 0.003 1.00 0.00 O ATOM 0 H GLU A 49 7.119 16.418 -2.633 1.00 0.00 H new ATOM 0 HA GLU A 49 7.886 15.465 -0.736 1.00 0.00 H new ATOM 0 HB2 GLU A 49 5.872 13.250 -1.155 1.00 0.00 H new ATOM 0 HB3 GLU A 49 6.786 13.578 0.304 1.00 0.00 H new ATOM 0 HG2 GLU A 49 5.636 15.716 0.596 1.00 0.00 H new ATOM 0 HG3 GLU A 49 4.792 15.506 -0.926 1.00 0.00 H new ATOM 725 N GLU A 50 9.123 14.194 -2.955 1.00 0.00 N ATOM 726 CA GLU A 50 10.028 13.361 -3.757 1.00 0.00 C ATOM 727 C GLU A 50 9.159 12.353 -4.502 1.00 0.00 C ATOM 728 O GLU A 50 7.980 12.624 -4.746 1.00 0.00 O ATOM 729 CB GLU A 50 11.077 12.650 -2.890 1.00 0.00 C ATOM 730 CG GLU A 50 11.959 13.573 -2.076 1.00 0.00 C ATOM 731 CD GLU A 50 12.948 12.805 -1.252 1.00 0.00 C ATOM 732 OE1 GLU A 50 12.573 12.288 -0.186 1.00 0.00 O ATOM 733 OE2 GLU A 50 14.121 12.689 -1.666 1.00 0.00 O ATOM 0 H GLU A 50 9.100 15.168 -3.258 1.00 0.00 H new ATOM 0 HA GLU A 50 10.590 13.983 -4.453 1.00 0.00 H new ATOM 0 HB2 GLU A 50 10.565 11.968 -2.211 1.00 0.00 H new ATOM 0 HB3 GLU A 50 11.710 12.042 -3.536 1.00 0.00 H new ATOM 0 HG2 GLU A 50 12.490 14.252 -2.743 1.00 0.00 H new ATOM 0 HG3 GLU A 50 11.339 14.187 -1.423 1.00 0.00 H new ATOM 740 N LYS A 51 9.681 11.223 -4.884 1.00 0.00 N ATOM 741 CA LYS A 51 8.847 10.265 -5.524 1.00 0.00 C ATOM 742 C LYS A 51 8.837 8.925 -4.778 1.00 0.00 C ATOM 743 O LYS A 51 9.582 7.996 -5.109 1.00 0.00 O ATOM 744 CB LYS A 51 9.152 10.097 -7.029 1.00 0.00 C ATOM 745 CG LYS A 51 10.581 9.758 -7.386 1.00 0.00 C ATOM 746 CD LYS A 51 11.502 10.953 -7.352 1.00 0.00 C ATOM 747 CE LYS A 51 11.175 11.955 -8.448 1.00 0.00 C ATOM 748 NZ LYS A 51 12.174 13.035 -8.519 1.00 0.00 N ATOM 0 H LYS A 51 10.657 10.952 -4.765 1.00 0.00 H new ATOM 0 HA LYS A 51 7.835 10.667 -5.475 1.00 0.00 H new ATOM 0 HB2 LYS A 51 8.505 9.314 -7.424 1.00 0.00 H new ATOM 0 HB3 LYS A 51 8.882 11.022 -7.539 1.00 0.00 H new ATOM 0 HG2 LYS A 51 10.952 9.002 -6.694 1.00 0.00 H new ATOM 0 HG3 LYS A 51 10.605 9.317 -8.383 1.00 0.00 H new ATOM 0 HD2 LYS A 51 11.427 11.441 -6.380 1.00 0.00 H new ATOM 0 HD3 LYS A 51 12.534 10.619 -7.462 1.00 0.00 H new ATOM 0 HE2 LYS A 51 11.127 11.441 -9.408 1.00 0.00 H new ATOM 0 HE3 LYS A 51 10.189 12.383 -8.266 1.00 0.00 H new ATOM 0 HZ1 LYS A 51 11.916 13.697 -9.278 1.00 0.00 H new ATOM 0 HZ2 LYS A 51 12.202 13.542 -7.612 1.00 0.00 H new ATOM 0 HZ3 LYS A 51 13.111 12.629 -8.718 1.00 0.00 H new ATOM 762 N PRO A 52 8.014 8.825 -3.728 1.00 0.00 N ATOM 763 CA PRO A 52 7.853 7.607 -2.975 1.00 0.00 C ATOM 764 C PRO A 52 6.921 6.651 -3.708 1.00 0.00 C ATOM 765 O PRO A 52 6.040 7.079 -4.488 1.00 0.00 O ATOM 766 CB PRO A 52 7.211 8.098 -1.675 1.00 0.00 C ATOM 767 CG PRO A 52 6.383 9.243 -2.104 1.00 0.00 C ATOM 768 CD PRO A 52 7.187 9.915 -3.168 1.00 0.00 C ATOM 0 HA PRO A 52 8.784 7.062 -2.819 1.00 0.00 H new ATOM 0 HB2 PRO A 52 6.607 7.320 -1.208 1.00 0.00 H new ATOM 0 HB3 PRO A 52 7.963 8.399 -0.946 1.00 0.00 H new ATOM 0 HG2 PRO A 52 5.418 8.912 -2.487 1.00 0.00 H new ATOM 0 HG3 PRO A 52 6.182 9.919 -1.273 1.00 0.00 H new ATOM 0 HD2 PRO A 52 6.548 10.363 -3.929 1.00 0.00 H new ATOM 0 HD3 PRO A 52 7.804 10.715 -2.758 1.00 0.00 H new ATOM 776 N SER A 53 7.131 5.394 -3.519 1.00 0.00 N ATOM 777 CA SER A 53 6.294 4.422 -4.105 1.00 0.00 C ATOM 778 C SER A 53 5.031 4.282 -3.278 1.00 0.00 C ATOM 779 O SER A 53 5.026 4.619 -2.096 1.00 0.00 O ATOM 780 CB SER A 53 7.064 3.117 -4.216 1.00 0.00 C ATOM 781 OG SER A 53 7.785 2.840 -3.007 1.00 0.00 O ATOM 0 H SER A 53 7.891 5.017 -2.952 1.00 0.00 H new ATOM 0 HA SER A 53 5.992 4.718 -5.109 1.00 0.00 H new ATOM 0 HB2 SER A 53 6.374 2.300 -4.427 1.00 0.00 H new ATOM 0 HB3 SER A 53 7.759 3.171 -5.054 1.00 0.00 H new ATOM 0 HG SER A 53 8.505 3.495 -2.898 1.00 0.00 H new ATOM 787 N VAL A 54 3.976 3.854 -3.886 1.00 0.00 N ATOM 788 CA VAL A 54 2.740 3.654 -3.166 1.00 0.00 C ATOM 789 C VAL A 54 2.340 2.212 -3.298 1.00 0.00 C ATOM 790 O VAL A 54 2.055 1.723 -4.383 1.00 0.00 O ATOM 791 CB VAL A 54 1.597 4.615 -3.610 1.00 0.00 C ATOM 792 CG1 VAL A 54 0.371 4.362 -2.785 1.00 0.00 C ATOM 793 CG2 VAL A 54 2.012 6.064 -3.428 1.00 0.00 C ATOM 0 H VAL A 54 3.933 3.633 -4.881 1.00 0.00 H new ATOM 0 HA VAL A 54 2.913 3.900 -2.118 1.00 0.00 H new ATOM 0 HB VAL A 54 1.388 4.429 -4.663 1.00 0.00 H new ATOM 0 HG11 VAL A 54 -0.425 5.037 -3.100 1.00 0.00 H new ATOM 0 HG12 VAL A 54 0.047 3.330 -2.921 1.00 0.00 H new ATOM 0 HG13 VAL A 54 0.598 4.535 -1.733 1.00 0.00 H new ATOM 0 HG21 VAL A 54 1.199 6.718 -3.744 1.00 0.00 H new ATOM 0 HG22 VAL A 54 2.239 6.248 -2.378 1.00 0.00 H new ATOM 0 HG23 VAL A 54 2.897 6.268 -4.031 1.00 0.00 H new ATOM 803 N TRP A 55 2.412 1.537 -2.207 1.00 0.00 N ATOM 804 CA TRP A 55 2.120 0.153 -2.137 1.00 0.00 C ATOM 805 C TRP A 55 0.785 -0.057 -1.451 1.00 0.00 C ATOM 806 O TRP A 55 0.523 0.478 -0.367 1.00 0.00 O ATOM 807 CB TRP A 55 3.244 -0.612 -1.423 1.00 0.00 C ATOM 808 CG TRP A 55 4.592 -0.520 -2.096 1.00 0.00 C ATOM 809 CD1 TRP A 55 5.460 0.512 -2.016 1.00 0.00 C ATOM 810 CD2 TRP A 55 5.231 -1.510 -2.930 1.00 0.00 C ATOM 811 NE1 TRP A 55 6.590 0.245 -2.738 1.00 0.00 N ATOM 812 CE2 TRP A 55 6.480 -0.987 -3.308 1.00 0.00 C ATOM 813 CE3 TRP A 55 4.873 -2.778 -3.392 1.00 0.00 C ATOM 814 CZ2 TRP A 55 7.370 -1.687 -4.122 1.00 0.00 C ATOM 815 CZ3 TRP A 55 5.754 -3.472 -4.199 1.00 0.00 C ATOM 816 CH2 TRP A 55 6.989 -2.928 -4.554 1.00 0.00 C ATOM 0 H TRP A 55 2.684 1.946 -1.313 1.00 0.00 H new ATOM 0 HA TRP A 55 2.053 -0.244 -3.150 1.00 0.00 H new ATOM 0 HB2 TRP A 55 3.334 -0.233 -0.405 1.00 0.00 H new ATOM 0 HB3 TRP A 55 2.961 -1.662 -1.348 1.00 0.00 H new ATOM 0 HD1 TRP A 55 5.286 1.421 -1.459 1.00 0.00 H new ATOM 0 HE1 TRP A 55 7.390 0.870 -2.835 1.00 0.00 H new ATOM 0 HE3 TRP A 55 3.921 -3.210 -3.122 1.00 0.00 H new ATOM 0 HZ2 TRP A 55 8.324 -1.265 -4.401 1.00 0.00 H new ATOM 0 HZ3 TRP A 55 5.482 -4.452 -4.561 1.00 0.00 H new ATOM 0 HH2 TRP A 55 7.657 -3.498 -5.182 1.00 0.00 H new ATOM 827 N LEU A 56 -0.058 -0.787 -2.099 1.00 0.00 N ATOM 828 CA LEU A 56 -1.348 -1.080 -1.578 1.00 0.00 C ATOM 829 C LEU A 56 -1.403 -2.506 -1.051 1.00 0.00 C ATOM 830 O LEU A 56 -1.133 -3.453 -1.788 1.00 0.00 O ATOM 831 CB LEU A 56 -2.435 -0.871 -2.620 1.00 0.00 C ATOM 832 CG LEU A 56 -3.835 -1.187 -2.118 1.00 0.00 C ATOM 833 CD1 LEU A 56 -4.629 0.068 -1.834 1.00 0.00 C ATOM 834 CD2 LEU A 56 -4.544 -2.126 -3.053 1.00 0.00 C ATOM 0 H LEU A 56 0.131 -1.200 -3.012 1.00 0.00 H new ATOM 0 HA LEU A 56 -1.530 -0.388 -0.756 1.00 0.00 H new ATOM 0 HB2 LEU A 56 -2.406 0.164 -2.959 1.00 0.00 H new ATOM 0 HB3 LEU A 56 -2.220 -1.496 -3.486 1.00 0.00 H new ATOM 0 HG LEU A 56 -3.740 -1.703 -1.163 1.00 0.00 H new ATOM 0 HD11 LEU A 56 -5.623 -0.203 -1.478 1.00 0.00 H new ATOM 0 HD12 LEU A 56 -4.118 0.657 -1.072 1.00 0.00 H new ATOM 0 HD13 LEU A 56 -4.719 0.656 -2.747 1.00 0.00 H new ATOM 0 HD21 LEU A 56 -5.543 -2.335 -2.670 1.00 0.00 H new ATOM 0 HD22 LEU A 56 -4.622 -1.668 -4.039 1.00 0.00 H new ATOM 0 HD23 LEU A 56 -3.982 -3.057 -3.129 1.00 0.00 H new ATOM 846 N CYS A 57 -1.747 -2.628 0.215 1.00 0.00 N ATOM 847 CA CYS A 57 -1.915 -3.891 0.908 1.00 0.00 C ATOM 848 C CYS A 57 -3.010 -4.696 0.221 1.00 0.00 C ATOM 849 O CYS A 57 -4.169 -4.336 0.298 1.00 0.00 O ATOM 850 CB CYS A 57 -2.325 -3.583 2.372 1.00 0.00 C ATOM 851 SG CYS A 57 -2.382 -4.994 3.542 1.00 0.00 S ATOM 0 H CYS A 57 -1.924 -1.820 0.812 1.00 0.00 H new ATOM 0 HA CYS A 57 -0.990 -4.468 0.892 1.00 0.00 H new ATOM 0 HB2 CYS A 57 -1.630 -2.843 2.769 1.00 0.00 H new ATOM 0 HB3 CYS A 57 -3.311 -3.118 2.356 1.00 0.00 H new ATOM 856 N LEU A 58 -2.641 -5.794 -0.410 1.00 0.00 N ATOM 857 CA LEU A 58 -3.563 -6.665 -1.141 1.00 0.00 C ATOM 858 C LEU A 58 -4.450 -7.421 -0.195 1.00 0.00 C ATOM 859 O LEU A 58 -5.390 -8.107 -0.582 1.00 0.00 O ATOM 860 CB LEU A 58 -2.718 -7.597 -1.969 1.00 0.00 C ATOM 861 CG LEU A 58 -2.130 -6.959 -3.210 1.00 0.00 C ATOM 862 CD1 LEU A 58 -0.848 -7.627 -3.590 1.00 0.00 C ATOM 863 CD2 LEU A 58 -3.115 -7.103 -4.343 1.00 0.00 C ATOM 0 H LEU A 58 -1.674 -6.119 -0.434 1.00 0.00 H new ATOM 0 HA LEU A 58 -4.226 -6.083 -1.781 1.00 0.00 H new ATOM 0 HB2 LEU A 58 -1.906 -7.980 -1.351 1.00 0.00 H new ATOM 0 HB3 LEU A 58 -3.324 -8.453 -2.266 1.00 0.00 H new ATOM 0 HG LEU A 58 -1.929 -5.907 -3.007 1.00 0.00 H new ATOM 0 HD11 LEU A 58 -0.442 -7.154 -4.484 1.00 0.00 H new ATOM 0 HD12 LEU A 58 -0.133 -7.533 -2.773 1.00 0.00 H new ATOM 0 HD13 LEU A 58 -1.033 -8.682 -3.791 1.00 0.00 H new ATOM 0 HD21 LEU A 58 -2.703 -6.647 -5.243 1.00 0.00 H new ATOM 0 HD22 LEU A 58 -3.306 -8.160 -4.527 1.00 0.00 H new ATOM 0 HD23 LEU A 58 -4.048 -6.606 -4.079 1.00 0.00 H new ATOM 875 N LYS A 59 -4.136 -7.281 1.034 1.00 0.00 N ATOM 876 CA LYS A 59 -4.873 -7.884 2.076 1.00 0.00 C ATOM 877 C LYS A 59 -6.052 -7.020 2.532 1.00 0.00 C ATOM 878 O LYS A 59 -7.128 -7.538 2.784 1.00 0.00 O ATOM 879 CB LYS A 59 -3.955 -8.187 3.249 1.00 0.00 C ATOM 880 CG LYS A 59 -4.669 -8.817 4.389 1.00 0.00 C ATOM 881 CD LYS A 59 -5.164 -10.215 4.025 1.00 0.00 C ATOM 882 CE LYS A 59 -5.711 -10.972 5.222 1.00 0.00 C ATOM 883 NZ LYS A 59 -6.963 -10.389 5.772 1.00 0.00 N ATOM 0 H LYS A 59 -3.339 -6.730 1.353 1.00 0.00 H new ATOM 0 HA LYS A 59 -5.291 -8.813 1.687 1.00 0.00 H new ATOM 0 HB2 LYS A 59 -3.155 -8.848 2.917 1.00 0.00 H new ATOM 0 HB3 LYS A 59 -3.486 -7.263 3.586 1.00 0.00 H new ATOM 0 HG2 LYS A 59 -4.004 -8.877 5.250 1.00 0.00 H new ATOM 0 HG3 LYS A 59 -5.514 -8.194 4.682 1.00 0.00 H new ATOM 0 HD2 LYS A 59 -5.941 -10.135 3.265 1.00 0.00 H new ATOM 0 HD3 LYS A 59 -4.345 -10.783 3.584 1.00 0.00 H new ATOM 0 HE2 LYS A 59 -5.898 -12.006 4.933 1.00 0.00 H new ATOM 0 HE3 LYS A 59 -4.954 -10.992 6.006 1.00 0.00 H new ATOM 0 HZ1 LYS A 59 -7.336 -11.009 6.519 1.00 0.00 H new ATOM 0 HZ2 LYS A 59 -6.763 -9.449 6.170 1.00 0.00 H new ATOM 0 HZ3 LYS A 59 -7.668 -10.300 5.012 1.00 0.00 H new ATOM 897 N CYS A 60 -5.847 -5.729 2.670 1.00 0.00 N ATOM 898 CA CYS A 60 -6.938 -4.869 3.167 1.00 0.00 C ATOM 899 C CYS A 60 -7.175 -3.600 2.354 1.00 0.00 C ATOM 900 O CYS A 60 -8.055 -2.830 2.680 1.00 0.00 O ATOM 901 CB CYS A 60 -6.680 -4.486 4.602 1.00 0.00 C ATOM 902 SG CYS A 60 -5.343 -3.289 4.797 1.00 0.00 S ATOM 0 H CYS A 60 -4.973 -5.249 2.458 1.00 0.00 H new ATOM 0 HA CYS A 60 -7.842 -5.471 3.069 1.00 0.00 H new ATOM 0 HB2 CYS A 60 -7.593 -4.072 5.029 1.00 0.00 H new ATOM 0 HB3 CYS A 60 -6.440 -5.384 5.172 1.00 0.00 H new ATOM 907 N GLY A 61 -6.394 -3.361 1.360 1.00 0.00 N ATOM 908 CA GLY A 61 -6.566 -2.149 0.586 1.00 0.00 C ATOM 909 C GLY A 61 -5.983 -0.925 1.287 1.00 0.00 C ATOM 910 O GLY A 61 -6.389 0.204 1.016 1.00 0.00 O ATOM 0 H GLY A 61 -5.635 -3.970 1.054 1.00 0.00 H new ATOM 0 HA2 GLY A 61 -6.087 -2.270 -0.386 1.00 0.00 H new ATOM 0 HA3 GLY A 61 -7.628 -1.987 0.400 1.00 0.00 H new ATOM 914 N HIS A 62 -5.075 -1.161 2.222 1.00 0.00 N ATOM 915 CA HIS A 62 -4.357 -0.078 2.898 1.00 0.00 C ATOM 916 C HIS A 62 -3.286 0.420 1.991 1.00 0.00 C ATOM 917 O HIS A 62 -2.452 -0.347 1.535 1.00 0.00 O ATOM 918 CB HIS A 62 -3.714 -0.539 4.212 1.00 0.00 C ATOM 919 CG HIS A 62 -2.950 0.542 4.929 1.00 0.00 C ATOM 920 ND1 HIS A 62 -1.582 0.710 4.838 1.00 0.00 N ATOM 921 CD2 HIS A 62 -3.391 1.520 5.744 1.00 0.00 C ATOM 922 CE1 HIS A 62 -1.248 1.762 5.585 1.00 0.00 C ATOM 923 NE2 HIS A 62 -2.307 2.290 6.158 1.00 0.00 N ATOM 0 H HIS A 62 -4.813 -2.096 2.535 1.00 0.00 H new ATOM 0 HA HIS A 62 -5.077 0.705 3.135 1.00 0.00 H new ATOM 0 HB2 HIS A 62 -4.493 -0.919 4.873 1.00 0.00 H new ATOM 0 HB3 HIS A 62 -3.040 -1.370 4.003 1.00 0.00 H new ATOM 0 HD1 HIS A 62 -0.941 0.131 4.295 1.00 0.00 H new ATOM 0 HD2 HIS A 62 -4.420 1.681 6.030 1.00 0.00 H new ATOM 0 HE1 HIS A 62 -0.240 2.132 5.704 1.00 0.00 H new ATOM 931 N GLN A 63 -3.288 1.669 1.757 1.00 0.00 N ATOM 932 CA GLN A 63 -2.337 2.227 0.873 1.00 0.00 C ATOM 933 C GLN A 63 -1.265 2.958 1.657 1.00 0.00 C ATOM 934 O GLN A 63 -1.554 3.856 2.454 1.00 0.00 O ATOM 935 CB GLN A 63 -3.043 3.123 -0.047 1.00 0.00 C ATOM 936 CG GLN A 63 -2.483 3.146 -1.420 1.00 0.00 C ATOM 937 CD GLN A 63 -3.300 3.997 -2.342 1.00 0.00 C ATOM 938 OE1 GLN A 63 -2.801 4.554 -3.252 1.00 0.00 O ATOM 939 NE2 GLN A 63 -4.550 4.109 -2.099 1.00 0.00 N ATOM 0 H GLN A 63 -3.942 2.336 2.167 1.00 0.00 H new ATOM 0 HA GLN A 63 -1.837 1.447 0.298 1.00 0.00 H new ATOM 0 HB2 GLN A 63 -4.089 2.822 -0.098 1.00 0.00 H new ATOM 0 HB3 GLN A 63 -3.021 4.134 0.360 1.00 0.00 H new ATOM 0 HG2 GLN A 63 -1.461 3.523 -1.389 1.00 0.00 H new ATOM 0 HG3 GLN A 63 -2.436 2.129 -1.810 1.00 0.00 H new ATOM 0 HE21 GLN A 63 -4.961 3.618 -1.305 1.00 0.00 H new ATOM 0 HE22 GLN A 63 -5.136 4.690 -2.699 1.00 0.00 H new ATOM 948 N GLY A 64 -0.063 2.544 1.452 1.00 0.00 N ATOM 949 CA GLY A 64 1.041 3.061 2.144 1.00 0.00 C ATOM 950 C GLY A 64 2.159 3.353 1.230 1.00 0.00 C ATOM 951 O GLY A 64 2.290 2.753 0.192 1.00 0.00 O ATOM 0 H GLY A 64 0.174 1.816 0.778 1.00 0.00 H new ATOM 0 HA2 GLY A 64 0.750 3.971 2.668 1.00 0.00 H new ATOM 0 HA3 GLY A 64 1.365 2.347 2.901 1.00 0.00 H new ATOM 955 N CYS A 65 2.956 4.279 1.606 1.00 0.00 N ATOM 956 CA CYS A 65 4.040 4.669 0.799 1.00 0.00 C ATOM 957 C CYS A 65 5.238 3.777 1.115 1.00 0.00 C ATOM 958 O CYS A 65 5.440 3.379 2.286 1.00 0.00 O ATOM 959 CB CYS A 65 4.296 6.161 0.944 1.00 0.00 C ATOM 960 SG CYS A 65 4.558 6.686 2.629 1.00 0.00 S ATOM 0 H CYS A 65 2.873 4.788 2.486 1.00 0.00 H new ATOM 0 HA CYS A 65 3.820 4.525 -0.259 1.00 0.00 H new ATOM 0 HB2 CYS A 65 5.169 6.430 0.350 1.00 0.00 H new ATOM 0 HB3 CYS A 65 3.448 6.708 0.531 1.00 0.00 H new ATOM 965 N GLY A 66 5.965 3.441 0.082 1.00 0.00 N ATOM 966 CA GLY A 66 7.017 2.469 0.123 1.00 0.00 C ATOM 967 C GLY A 66 8.234 2.835 0.913 1.00 0.00 C ATOM 968 O GLY A 66 8.263 3.806 1.661 1.00 0.00 O ATOM 0 H GLY A 66 5.833 3.853 -0.842 1.00 0.00 H new ATOM 0 HA2 GLY A 66 6.611 1.544 0.531 1.00 0.00 H new ATOM 0 HA3 GLY A 66 7.326 2.257 -0.901 1.00 0.00 H new ATOM 972 N ARG A 67 9.275 2.080 0.675 1.00 0.00 N ATOM 973 CA ARG A 67 10.494 2.139 1.456 1.00 0.00 C ATOM 974 C ARG A 67 11.348 3.366 1.139 1.00 0.00 C ATOM 975 O ARG A 67 12.319 3.632 1.811 1.00 0.00 O ATOM 976 CB ARG A 67 11.312 0.857 1.248 1.00 0.00 C ATOM 977 CG ARG A 67 11.910 0.730 -0.145 1.00 0.00 C ATOM 978 CD ARG A 67 12.555 -0.638 -0.361 1.00 0.00 C ATOM 979 NE ARG A 67 13.623 -0.904 0.611 1.00 0.00 N ATOM 980 CZ ARG A 67 14.081 -2.122 0.951 1.00 0.00 C ATOM 981 NH1 ARG A 67 13.575 -3.219 0.389 1.00 0.00 N ATOM 982 NH2 ARG A 67 15.046 -2.231 1.859 1.00 0.00 N ATOM 0 H ARG A 67 9.305 1.394 -0.079 1.00 0.00 H new ATOM 0 HA ARG A 67 10.197 2.226 2.501 1.00 0.00 H new ATOM 0 HB2 ARG A 67 12.117 0.827 1.983 1.00 0.00 H new ATOM 0 HB3 ARG A 67 10.673 -0.005 1.439 1.00 0.00 H new ATOM 0 HG2 ARG A 67 11.131 0.887 -0.891 1.00 0.00 H new ATOM 0 HG3 ARG A 67 12.655 1.511 -0.294 1.00 0.00 H new ATOM 0 HD2 ARG A 67 11.793 -1.414 -0.284 1.00 0.00 H new ATOM 0 HD3 ARG A 67 12.963 -0.691 -1.371 1.00 0.00 H new ATOM 0 HE ARG A 67 14.053 -0.099 1.066 1.00 0.00 H new ATOM 0 HH11 ARG A 67 12.833 -3.140 -0.306 1.00 0.00 H new ATOM 0 HH12 ARG A 67 13.930 -4.138 0.654 1.00 0.00 H new ATOM 0 HH21 ARG A 67 15.435 -1.394 2.293 1.00 0.00 H new ATOM 0 HH22 ARG A 67 15.398 -3.152 2.121 1.00 0.00 H new ATOM 996 N ASN A 68 10.987 4.101 0.149 1.00 0.00 N ATOM 997 CA ASN A 68 11.776 5.252 -0.240 1.00 0.00 C ATOM 998 C ASN A 68 11.192 6.545 0.249 1.00 0.00 C ATOM 999 O ASN A 68 11.656 7.619 -0.089 1.00 0.00 O ATOM 1000 CB ASN A 68 12.002 5.302 -1.723 1.00 0.00 C ATOM 1001 CG ASN A 68 10.753 5.293 -2.576 1.00 0.00 C ATOM 1002 OD1 ASN A 68 9.689 4.792 -2.184 1.00 0.00 O ATOM 1003 ND2 ASN A 68 10.873 5.799 -3.757 1.00 0.00 N ATOM 0 H ASN A 68 10.154 3.940 -0.417 1.00 0.00 H new ATOM 0 HA ASN A 68 12.744 5.128 0.246 1.00 0.00 H new ATOM 0 HB2 ASN A 68 12.572 6.201 -1.955 1.00 0.00 H new ATOM 0 HB3 ASN A 68 12.620 4.450 -2.007 1.00 0.00 H new ATOM 0 HD21 ASN A 68 10.079 5.794 -4.397 1.00 0.00 H new ATOM 0 HD22 ASN A 68 11.762 6.204 -4.050 1.00 0.00 H new ATOM 1010 N SER A 69 10.209 6.433 1.047 1.00 0.00 N ATOM 1011 CA SER A 69 9.589 7.585 1.643 1.00 0.00 C ATOM 1012 C SER A 69 10.321 7.920 2.963 1.00 0.00 C ATOM 1013 O SER A 69 11.318 7.246 3.326 1.00 0.00 O ATOM 1014 CB SER A 69 8.101 7.311 1.887 1.00 0.00 C ATOM 1015 OG SER A 69 7.915 6.186 2.721 1.00 0.00 O ATOM 0 H SER A 69 9.794 5.542 1.320 1.00 0.00 H new ATOM 0 HA SER A 69 9.663 8.441 0.972 1.00 0.00 H new ATOM 0 HB2 SER A 69 7.638 8.186 2.344 1.00 0.00 H new ATOM 0 HB3 SER A 69 7.598 7.147 0.934 1.00 0.00 H new ATOM 0 HG SER A 69 7.787 5.387 2.168 1.00 0.00 H new ATOM 1021 N GLN A 70 9.877 8.934 3.667 1.00 0.00 N ATOM 1022 CA GLN A 70 10.470 9.268 4.947 1.00 0.00 C ATOM 1023 C GLN A 70 9.917 8.372 6.069 1.00 0.00 C ATOM 1024 O GLN A 70 10.682 7.862 6.906 1.00 0.00 O ATOM 1025 CB GLN A 70 10.341 10.793 5.231 1.00 0.00 C ATOM 1026 CG GLN A 70 10.731 11.265 6.640 1.00 0.00 C ATOM 1027 CD GLN A 70 9.608 11.095 7.646 1.00 0.00 C ATOM 1028 OE1 GLN A 70 8.434 11.200 7.298 1.00 0.00 O ATOM 1029 NE2 GLN A 70 9.938 10.815 8.868 1.00 0.00 N ATOM 0 H GLN A 70 9.110 9.542 3.380 1.00 0.00 H new ATOM 0 HA GLN A 70 11.539 9.058 4.911 1.00 0.00 H new ATOM 0 HB2 GLN A 70 10.959 11.328 4.509 1.00 0.00 H new ATOM 0 HB3 GLN A 70 9.308 11.088 5.047 1.00 0.00 H new ATOM 0 HG2 GLN A 70 11.604 10.706 6.978 1.00 0.00 H new ATOM 0 HG3 GLN A 70 11.021 12.315 6.600 1.00 0.00 H new ATOM 0 HE21 GLN A 70 10.922 10.735 9.125 1.00 0.00 H new ATOM 0 HE22 GLN A 70 9.214 10.675 9.573 1.00 0.00 H new ATOM 1038 N GLU A 71 8.619 8.152 6.068 1.00 0.00 N ATOM 1039 CA GLU A 71 7.990 7.330 7.100 1.00 0.00 C ATOM 1040 C GLU A 71 8.008 5.866 6.775 1.00 0.00 C ATOM 1041 O GLU A 71 8.116 5.039 7.675 1.00 0.00 O ATOM 1042 CB GLU A 71 6.557 7.744 7.333 1.00 0.00 C ATOM 1043 CG GLU A 71 6.389 8.966 8.183 1.00 0.00 C ATOM 1044 CD GLU A 71 6.887 8.754 9.596 1.00 0.00 C ATOM 1045 OE1 GLU A 71 6.566 7.711 10.216 1.00 0.00 O ATOM 1046 OE2 GLU A 71 7.594 9.632 10.136 1.00 0.00 O ATOM 0 H GLU A 71 7.975 8.526 5.371 1.00 0.00 H new ATOM 0 HA GLU A 71 8.583 7.493 8.000 1.00 0.00 H new ATOM 0 HB2 GLU A 71 6.083 7.921 6.368 1.00 0.00 H new ATOM 0 HB3 GLU A 71 6.025 6.916 7.802 1.00 0.00 H new ATOM 0 HG2 GLU A 71 6.929 9.798 7.731 1.00 0.00 H new ATOM 0 HG3 GLU A 71 5.336 9.246 8.209 1.00 0.00 H new ATOM 1053 N GLN A 72 7.903 5.556 5.490 1.00 0.00 N ATOM 1054 CA GLN A 72 7.796 4.180 4.998 1.00 0.00 C ATOM 1055 C GLN A 72 6.539 3.553 5.615 1.00 0.00 C ATOM 1056 O GLN A 72 6.609 2.567 6.335 1.00 0.00 O ATOM 1057 CB GLN A 72 9.059 3.343 5.332 1.00 0.00 C ATOM 1058 CG GLN A 72 10.355 3.992 4.946 1.00 0.00 C ATOM 1059 CD GLN A 72 11.491 3.133 5.255 1.00 0.00 C ATOM 1060 OE1 GLN A 72 11.997 3.120 6.374 1.00 0.00 O ATOM 1061 NE2 GLN A 72 11.987 2.539 4.288 1.00 0.00 N ATOM 0 H GLN A 72 7.889 6.256 4.749 1.00 0.00 H new ATOM 0 HA GLN A 72 7.719 4.190 3.911 1.00 0.00 H new ATOM 0 HB2 GLN A 72 9.073 3.141 6.403 1.00 0.00 H new ATOM 0 HB3 GLN A 72 8.985 2.380 4.827 1.00 0.00 H new ATOM 0 HG2 GLN A 72 10.347 4.218 3.880 1.00 0.00 H new ATOM 0 HG3 GLN A 72 10.460 4.941 5.473 1.00 0.00 H new ATOM 0 HE21 GLN A 72 11.531 2.578 3.377 1.00 0.00 H new ATOM 0 HE22 GLN A 72 12.852 2.011 4.403 1.00 0.00 H new ATOM 1070 N HIS A 73 5.385 4.173 5.345 1.00 0.00 N ATOM 1071 CA HIS A 73 4.138 3.795 5.915 1.00 0.00 C ATOM 1072 C HIS A 73 3.725 2.352 5.577 1.00 0.00 C ATOM 1073 O HIS A 73 3.073 1.689 6.384 1.00 0.00 O ATOM 1074 CB HIS A 73 3.079 4.798 5.502 1.00 0.00 C ATOM 1075 CG HIS A 73 3.091 6.152 6.226 1.00 0.00 C ATOM 1076 ND1 HIS A 73 2.822 7.304 5.561 1.00 0.00 N ATOM 1077 CD2 HIS A 73 3.227 6.449 7.535 1.00 0.00 C ATOM 1078 CE1 HIS A 73 2.785 8.256 6.419 1.00 0.00 C ATOM 1079 NE2 HIS A 73 3.027 7.801 7.650 1.00 0.00 N ATOM 0 H HIS A 73 5.317 4.966 4.707 1.00 0.00 H new ATOM 0 HA HIS A 73 4.248 3.808 6.999 1.00 0.00 H new ATOM 0 HB2 HIS A 73 3.184 4.983 4.433 1.00 0.00 H new ATOM 0 HB3 HIS A 73 2.101 4.341 5.652 1.00 0.00 H new ATOM 0 HD2 HIS A 73 3.450 5.758 8.335 1.00 0.00 H new ATOM 0 HE1 HIS A 73 2.585 9.289 6.177 1.00 0.00 H new ATOM 0 HE2 HIS A 73 3.057 8.351 8.508 1.00 0.00 H new ATOM 1087 N ALA A 74 4.120 1.872 4.401 1.00 0.00 N ATOM 1088 CA ALA A 74 3.863 0.477 4.009 1.00 0.00 C ATOM 1089 C ALA A 74 4.666 -0.463 4.911 1.00 0.00 C ATOM 1090 O ALA A 74 4.167 -1.499 5.368 1.00 0.00 O ATOM 1091 CB ALA A 74 4.231 0.257 2.547 1.00 0.00 C ATOM 0 H ALA A 74 4.618 2.421 3.700 1.00 0.00 H new ATOM 0 HA ALA A 74 2.801 0.263 4.126 1.00 0.00 H new ATOM 0 HB1 ALA A 74 4.035 -0.780 2.274 1.00 0.00 H new ATOM 0 HB2 ALA A 74 3.633 0.917 1.918 1.00 0.00 H new ATOM 0 HB3 ALA A 74 5.289 0.476 2.401 1.00 0.00 H new ATOM 1097 N LEU A 75 5.865 -0.031 5.243 1.00 0.00 N ATOM 1098 CA LEU A 75 6.766 -0.791 6.091 1.00 0.00 C ATOM 1099 C LEU A 75 6.208 -0.796 7.498 1.00 0.00 C ATOM 1100 O LEU A 75 6.132 -1.837 8.128 1.00 0.00 O ATOM 1101 CB LEU A 75 8.201 -0.213 6.064 1.00 0.00 C ATOM 1102 CG LEU A 75 9.058 -0.423 4.781 1.00 0.00 C ATOM 1103 CD1 LEU A 75 9.424 -1.875 4.604 1.00 0.00 C ATOM 1104 CD2 LEU A 75 8.364 0.089 3.521 1.00 0.00 C ATOM 0 H LEU A 75 6.246 0.862 4.931 1.00 0.00 H new ATOM 0 HA LEU A 75 6.837 -1.812 5.716 1.00 0.00 H new ATOM 0 HB2 LEU A 75 8.131 0.860 6.245 1.00 0.00 H new ATOM 0 HB3 LEU A 75 8.748 -0.643 6.903 1.00 0.00 H new ATOM 0 HG LEU A 75 9.966 0.164 4.922 1.00 0.00 H new ATOM 0 HD11 LEU A 75 10.022 -1.992 3.700 1.00 0.00 H new ATOM 0 HD12 LEU A 75 9.999 -2.213 5.466 1.00 0.00 H new ATOM 0 HD13 LEU A 75 8.516 -2.471 4.517 1.00 0.00 H new ATOM 0 HD21 LEU A 75 9.006 -0.083 2.657 1.00 0.00 H new ATOM 0 HD22 LEU A 75 7.421 -0.441 3.384 1.00 0.00 H new ATOM 0 HD23 LEU A 75 8.169 1.157 3.622 1.00 0.00 H new ATOM 1116 N LYS A 76 5.808 0.379 7.985 1.00 0.00 N ATOM 1117 CA LYS A 76 5.119 0.515 9.274 1.00 0.00 C ATOM 1118 C LYS A 76 3.878 -0.360 9.330 1.00 0.00 C ATOM 1119 O LYS A 76 3.589 -0.995 10.360 1.00 0.00 O ATOM 1120 CB LYS A 76 4.724 1.968 9.484 1.00 0.00 C ATOM 1121 CG LYS A 76 5.905 2.909 9.486 1.00 0.00 C ATOM 1122 CD LYS A 76 5.472 4.355 9.537 1.00 0.00 C ATOM 1123 CE LYS A 76 4.871 4.746 10.882 1.00 0.00 C ATOM 1124 NZ LYS A 76 4.446 6.176 10.908 1.00 0.00 N ATOM 0 H LYS A 76 5.951 1.264 7.499 1.00 0.00 H new ATOM 0 HA LYS A 76 5.800 0.193 10.062 1.00 0.00 H new ATOM 0 HB2 LYS A 76 4.030 2.267 8.698 1.00 0.00 H new ATOM 0 HB3 LYS A 76 4.192 2.060 10.431 1.00 0.00 H new ATOM 0 HG2 LYS A 76 6.542 2.690 10.343 1.00 0.00 H new ATOM 0 HG3 LYS A 76 6.505 2.741 8.592 1.00 0.00 H new ATOM 0 HD2 LYS A 76 6.330 4.994 9.329 1.00 0.00 H new ATOM 0 HD3 LYS A 76 4.740 4.538 8.750 1.00 0.00 H new ATOM 0 HE2 LYS A 76 4.013 4.109 11.095 1.00 0.00 H new ATOM 0 HE3 LYS A 76 5.602 4.570 11.671 1.00 0.00 H new ATOM 0 HZ1 LYS A 76 4.267 6.467 11.890 1.00 0.00 H new ATOM 0 HZ2 LYS A 76 5.198 6.769 10.503 1.00 0.00 H new ATOM 0 HZ3 LYS A 76 3.576 6.290 10.349 1.00 0.00 H new ATOM 1138 N HIS A 77 3.181 -0.460 8.212 1.00 0.00 N ATOM 1139 CA HIS A 77 1.973 -1.269 8.165 1.00 0.00 C ATOM 1140 C HIS A 77 2.339 -2.719 8.267 1.00 0.00 C ATOM 1141 O HIS A 77 1.614 -3.486 8.848 1.00 0.00 O ATOM 1142 CB HIS A 77 1.104 -0.991 6.941 1.00 0.00 C ATOM 1143 CG HIS A 77 -0.249 -1.696 6.939 1.00 0.00 C ATOM 1144 ND1 HIS A 77 -1.259 -1.387 7.819 1.00 0.00 N ATOM 1145 CD2 HIS A 77 -0.750 -2.682 6.121 1.00 0.00 C ATOM 1146 CE1 HIS A 77 -2.324 -2.159 7.528 1.00 0.00 C ATOM 1147 NE2 HIS A 77 -2.074 -2.967 6.495 1.00 0.00 N ATOM 0 H HIS A 77 3.425 0.001 7.335 1.00 0.00 H new ATOM 0 HA HIS A 77 1.357 -0.990 9.020 1.00 0.00 H new ATOM 0 HB2 HIS A 77 0.937 0.084 6.869 1.00 0.00 H new ATOM 0 HB3 HIS A 77 1.654 -1.289 6.048 1.00 0.00 H new ATOM 0 HD1 HIS A 77 -1.210 -0.692 8.564 1.00 0.00 H new ATOM 0 HD2 HIS A 77 -0.210 -3.162 5.318 1.00 0.00 H new ATOM 0 HE1 HIS A 77 -3.262 -2.128 8.063 1.00 0.00 H new ATOM 1155 N TYR A 78 3.451 -3.096 7.716 1.00 0.00 N ATOM 1156 CA TYR A 78 3.923 -4.441 7.903 1.00 0.00 C ATOM 1157 C TYR A 78 4.385 -4.655 9.329 1.00 0.00 C ATOM 1158 O TYR A 78 4.138 -5.703 9.912 1.00 0.00 O ATOM 1159 CB TYR A 78 5.022 -4.804 6.932 1.00 0.00 C ATOM 1160 CG TYR A 78 5.635 -6.169 7.213 1.00 0.00 C ATOM 1161 CD1 TYR A 78 4.851 -7.325 7.222 1.00 0.00 C ATOM 1162 CD2 TYR A 78 6.989 -6.296 7.494 1.00 0.00 C ATOM 1163 CE1 TYR A 78 5.404 -8.558 7.507 1.00 0.00 C ATOM 1164 CE2 TYR A 78 7.547 -7.526 7.771 1.00 0.00 C ATOM 1165 CZ TYR A 78 6.753 -8.652 7.780 1.00 0.00 C ATOM 1166 OH TYR A 78 7.310 -9.875 8.060 1.00 0.00 O ATOM 0 H TYR A 78 4.046 -2.502 7.138 1.00 0.00 H new ATOM 0 HA TYR A 78 3.081 -5.103 7.701 1.00 0.00 H new ATOM 0 HB2 TYR A 78 4.622 -4.793 5.918 1.00 0.00 H new ATOM 0 HB3 TYR A 78 5.803 -4.045 6.975 1.00 0.00 H new ATOM 0 HD1 TYR A 78 3.796 -7.253 7.003 1.00 0.00 H new ATOM 0 HD2 TYR A 78 7.616 -5.416 7.496 1.00 0.00 H new ATOM 0 HE1 TYR A 78 4.785 -9.443 7.516 1.00 0.00 H new ATOM 0 HE2 TYR A 78 8.603 -7.607 7.980 1.00 0.00 H new ATOM 0 HH TYR A 78 8.269 -9.767 8.228 1.00 0.00 H new ATOM 1176 N LEU A 79 5.007 -3.654 9.910 1.00 0.00 N ATOM 1177 CA LEU A 79 5.522 -3.754 11.256 1.00 0.00 C ATOM 1178 C LEU A 79 4.431 -3.562 12.276 1.00 0.00 C ATOM 1179 O LEU A 79 4.687 -3.572 13.478 1.00 0.00 O ATOM 1180 CB LEU A 79 6.643 -2.741 11.478 1.00 0.00 C ATOM 1181 CG LEU A 79 7.827 -2.869 10.527 1.00 0.00 C ATOM 1182 CD1 LEU A 79 8.911 -1.876 10.876 1.00 0.00 C ATOM 1183 CD2 LEU A 79 8.355 -4.291 10.525 1.00 0.00 C ATOM 0 H LEU A 79 5.170 -2.751 9.464 1.00 0.00 H new ATOM 0 HA LEU A 79 5.927 -4.758 11.383 1.00 0.00 H new ATOM 0 HB2 LEU A 79 6.228 -1.737 11.384 1.00 0.00 H new ATOM 0 HB3 LEU A 79 7.006 -2.842 12.501 1.00 0.00 H new ATOM 0 HG LEU A 79 7.486 -2.637 9.518 1.00 0.00 H new ATOM 0 HD11 LEU A 79 9.744 -1.988 10.182 1.00 0.00 H new ATOM 0 HD12 LEU A 79 8.514 -0.864 10.805 1.00 0.00 H new ATOM 0 HD13 LEU A 79 9.258 -2.059 11.893 1.00 0.00 H new ATOM 0 HD21 LEU A 79 9.200 -4.364 9.841 1.00 0.00 H new ATOM 0 HD22 LEU A 79 8.678 -4.561 11.531 1.00 0.00 H new ATOM 0 HD23 LEU A 79 7.567 -4.971 10.202 1.00 0.00 H new ATOM 1195 N THR A 80 3.237 -3.346 11.798 1.00 0.00 N ATOM 1196 CA THR A 80 2.078 -3.278 12.668 1.00 0.00 C ATOM 1197 C THR A 80 1.800 -4.686 13.261 1.00 0.00 C ATOM 1198 O THR A 80 1.574 -5.639 12.506 1.00 0.00 O ATOM 1199 CB THR A 80 0.844 -2.795 11.883 1.00 0.00 C ATOM 1200 OG1 THR A 80 1.074 -1.472 11.359 1.00 0.00 O ATOM 1201 CG2 THR A 80 -0.408 -2.807 12.754 1.00 0.00 C ATOM 0 H THR A 80 3.033 -3.213 10.808 1.00 0.00 H new ATOM 0 HA THR A 80 2.279 -2.570 13.472 1.00 0.00 H new ATOM 0 HB THR A 80 0.682 -3.484 11.054 1.00 0.00 H new ATOM 0 HG1 THR A 80 2.022 -1.369 11.135 1.00 0.00 H new ATOM 0 HG21 THR A 80 -1.261 -2.461 12.170 1.00 0.00 H new ATOM 0 HG22 THR A 80 -0.597 -3.821 13.106 1.00 0.00 H new ATOM 0 HG23 THR A 80 -0.262 -2.148 13.610 1.00 0.00 H new ATOM 1209 N PRO A 81 1.876 -4.858 14.596 1.00 0.00 N ATOM 1210 CA PRO A 81 1.603 -6.137 15.220 1.00 0.00 C ATOM 1211 C PRO A 81 0.112 -6.415 15.293 1.00 0.00 C ATOM 1212 O PRO A 81 -0.683 -5.631 15.819 1.00 0.00 O ATOM 1213 CB PRO A 81 2.205 -6.019 16.594 1.00 0.00 C ATOM 1214 CG PRO A 81 2.117 -4.584 16.904 1.00 0.00 C ATOM 1215 CD PRO A 81 2.230 -3.836 15.595 1.00 0.00 C ATOM 0 HA PRO A 81 2.023 -6.968 14.653 1.00 0.00 H new ATOM 0 HB2 PRO A 81 1.657 -6.618 17.322 1.00 0.00 H new ATOM 0 HB3 PRO A 81 3.238 -6.367 16.608 1.00 0.00 H new ATOM 0 HG2 PRO A 81 1.173 -4.354 17.398 1.00 0.00 H new ATOM 0 HG3 PRO A 81 2.914 -4.288 17.586 1.00 0.00 H new ATOM 0 HD2 PRO A 81 1.552 -2.984 15.558 1.00 0.00 H new ATOM 0 HD3 PRO A 81 3.237 -3.449 15.437 1.00 0.00 H new ATOM 1223 N ARG A 82 -0.231 -7.505 14.749 1.00 0.00 N ATOM 1224 CA ARG A 82 -1.617 -7.944 14.589 1.00 0.00 C ATOM 1225 C ARG A 82 -1.671 -9.468 14.472 1.00 0.00 C ATOM 1226 O ARG A 82 -0.629 -10.134 14.548 1.00 0.00 O ATOM 1227 CB ARG A 82 -2.203 -7.302 13.334 1.00 0.00 C ATOM 1228 CG ARG A 82 -1.266 -7.434 12.174 1.00 0.00 C ATOM 1229 CD ARG A 82 -1.839 -6.977 10.876 1.00 0.00 C ATOM 1230 NE ARG A 82 -0.806 -7.057 9.866 1.00 0.00 N ATOM 1231 CZ ARG A 82 -0.146 -6.010 9.395 1.00 0.00 C ATOM 1232 NH1 ARG A 82 -0.558 -4.785 9.664 1.00 0.00 N ATOM 1233 NH2 ARG A 82 0.901 -6.187 8.607 1.00 0.00 N ATOM 0 H ARG A 82 0.446 -8.170 14.375 1.00 0.00 H new ATOM 0 HA ARG A 82 -2.199 -7.640 15.459 1.00 0.00 H new ATOM 0 HB2 ARG A 82 -3.156 -7.773 13.092 1.00 0.00 H new ATOM 0 HB3 ARG A 82 -2.407 -6.248 13.522 1.00 0.00 H new ATOM 0 HG2 ARG A 82 -0.363 -6.860 12.383 1.00 0.00 H new ATOM 0 HG3 ARG A 82 -0.966 -8.478 12.080 1.00 0.00 H new ATOM 0 HD2 ARG A 82 -2.690 -7.598 10.598 1.00 0.00 H new ATOM 0 HD3 ARG A 82 -2.206 -5.954 10.963 1.00 0.00 H new ATOM 0 HE ARG A 82 -0.572 -7.977 9.494 1.00 0.00 H new ATOM 0 HH11 ARG A 82 -1.389 -4.641 10.238 1.00 0.00 H new ATOM 0 HH12 ARG A 82 -0.045 -3.983 9.298 1.00 0.00 H new ATOM 0 HH21 ARG A 82 1.201 -7.131 8.361 1.00 0.00 H new ATOM 0 HH22 ARG A 82 1.409 -5.380 8.245 1.00 0.00 H new ATOM 1247 N SER A 83 -2.853 -10.008 14.248 1.00 0.00 N ATOM 1248 CA SER A 83 -3.020 -11.438 14.124 1.00 0.00 C ATOM 1249 C SER A 83 -2.746 -11.883 12.682 1.00 0.00 C ATOM 1250 O SER A 83 -2.052 -12.870 12.449 1.00 0.00 O ATOM 1251 CB SER A 83 -4.434 -11.821 14.546 1.00 0.00 C ATOM 1252 OG SER A 83 -4.738 -11.268 15.826 1.00 0.00 O ATOM 0 H SER A 83 -3.715 -9.472 14.148 1.00 0.00 H new ATOM 0 HA SER A 83 -2.306 -11.943 14.775 1.00 0.00 H new ATOM 0 HB2 SER A 83 -5.151 -11.461 13.808 1.00 0.00 H new ATOM 0 HB3 SER A 83 -4.529 -12.906 14.580 1.00 0.00 H new ATOM 0 HG SER A 83 -5.649 -11.520 16.083 1.00 0.00 H new ATOM 1258 N GLU A 84 -3.270 -11.134 11.724 1.00 0.00 N ATOM 1259 CA GLU A 84 -3.081 -11.459 10.319 1.00 0.00 C ATOM 1260 C GLU A 84 -1.743 -10.912 9.833 1.00 0.00 C ATOM 1261 O GLU A 84 -1.240 -9.950 10.384 1.00 0.00 O ATOM 1262 CB GLU A 84 -4.192 -10.868 9.475 1.00 0.00 C ATOM 1263 CG GLU A 84 -5.586 -11.281 9.865 1.00 0.00 C ATOM 1264 CD GLU A 84 -6.597 -10.779 8.885 1.00 0.00 C ATOM 1265 OE1 GLU A 84 -6.792 -9.543 8.769 1.00 0.00 O ATOM 1266 OE2 GLU A 84 -7.185 -11.598 8.155 1.00 0.00 O ATOM 0 H GLU A 84 -3.829 -10.298 11.894 1.00 0.00 H new ATOM 0 HA GLU A 84 -3.097 -12.544 10.218 1.00 0.00 H new ATOM 0 HB2 GLU A 84 -4.125 -9.781 9.526 1.00 0.00 H new ATOM 0 HB3 GLU A 84 -4.025 -11.150 8.435 1.00 0.00 H new ATOM 0 HG2 GLU A 84 -5.642 -12.368 9.924 1.00 0.00 H new ATOM 0 HG3 GLU A 84 -5.817 -10.896 10.858 1.00 0.00 H new ATOM 1273 N PRO A 85 -1.145 -11.494 8.791 1.00 0.00 N ATOM 1274 CA PRO A 85 0.140 -11.030 8.308 1.00 0.00 C ATOM 1275 C PRO A 85 0.074 -9.687 7.540 1.00 0.00 C ATOM 1276 O PRO A 85 0.895 -8.801 7.788 1.00 0.00 O ATOM 1277 CB PRO A 85 0.636 -12.171 7.416 1.00 0.00 C ATOM 1278 CG PRO A 85 -0.591 -12.901 6.985 1.00 0.00 C ATOM 1279 CD PRO A 85 -1.630 -12.683 8.052 1.00 0.00 C ATOM 0 HA PRO A 85 0.813 -10.810 9.137 1.00 0.00 H new ATOM 0 HB2 PRO A 85 1.186 -11.787 6.557 1.00 0.00 H new ATOM 0 HB3 PRO A 85 1.313 -12.829 7.960 1.00 0.00 H new ATOM 0 HG2 PRO A 85 -0.943 -12.529 6.023 1.00 0.00 H new ATOM 0 HG3 PRO A 85 -0.384 -13.964 6.860 1.00 0.00 H new ATOM 0 HD2 PRO A 85 -2.615 -12.509 7.619 1.00 0.00 H new ATOM 0 HD3 PRO A 85 -1.718 -13.550 8.706 1.00 0.00 H new ATOM 1287 N HIS A 86 -0.948 -9.527 6.654 1.00 0.00 N ATOM 1288 CA HIS A 86 -1.088 -8.330 5.755 1.00 0.00 C ATOM 1289 C HIS A 86 0.225 -8.029 5.071 1.00 0.00 C ATOM 1290 O HIS A 86 0.664 -6.890 5.016 1.00 0.00 O ATOM 1291 CB HIS A 86 -1.570 -7.078 6.513 1.00 0.00 C ATOM 1292 CG HIS A 86 -2.991 -7.108 6.939 1.00 0.00 C ATOM 1293 ND1 HIS A 86 -3.841 -6.078 6.639 1.00 0.00 N ATOM 1294 CD2 HIS A 86 -3.656 -8.057 7.632 1.00 0.00 C ATOM 1295 CE1 HIS A 86 -5.016 -6.429 7.166 1.00 0.00 C ATOM 1296 NE2 HIS A 86 -4.941 -7.628 7.775 1.00 0.00 N ATOM 0 H HIS A 86 -1.694 -10.212 6.538 1.00 0.00 H new ATOM 0 HA HIS A 86 -1.845 -8.581 5.012 1.00 0.00 H new ATOM 0 HB2 HIS A 86 -0.945 -6.944 7.396 1.00 0.00 H new ATOM 0 HB3 HIS A 86 -1.416 -6.206 5.878 1.00 0.00 H new ATOM 0 HD2 HIS A 86 -3.245 -8.984 8.004 1.00 0.00 H new ATOM 0 HE1 HIS A 86 -5.912 -5.829 7.111 1.00 0.00 H new ATOM 0 HE2 HIS A 86 -5.698 -8.119 8.250 1.00 0.00 H new ATOM 1304 N CYS A 87 0.792 -9.040 4.494 1.00 0.00 N ATOM 1305 CA CYS A 87 2.147 -8.959 4.000 1.00 0.00 C ATOM 1306 C CYS A 87 2.233 -8.823 2.510 1.00 0.00 C ATOM 1307 O CYS A 87 3.297 -9.037 1.924 1.00 0.00 O ATOM 1308 CB CYS A 87 2.873 -10.204 4.420 1.00 0.00 C ATOM 1309 SG CYS A 87 1.921 -11.714 4.130 1.00 0.00 S ATOM 0 H CYS A 87 0.341 -9.943 4.348 1.00 0.00 H new ATOM 0 HA CYS A 87 2.596 -8.060 4.421 1.00 0.00 H new ATOM 0 HB2 CYS A 87 3.817 -10.267 3.878 1.00 0.00 H new ATOM 0 HB3 CYS A 87 3.118 -10.134 5.480 1.00 0.00 H new ATOM 0 HG CYS A 87 2.179 -12.168 2.940 1.00 0.00 H new ATOM 1315 N LEU A 88 1.144 -8.503 1.907 1.00 0.00 N ATOM 1316 CA LEU A 88 1.078 -8.356 0.485 1.00 0.00 C ATOM 1317 C LEU A 88 0.711 -7.002 0.139 1.00 0.00 C ATOM 1318 O LEU A 88 -0.291 -6.488 0.600 1.00 0.00 O ATOM 1319 CB LEU A 88 0.173 -9.375 -0.169 1.00 0.00 C ATOM 1320 CG LEU A 88 0.816 -10.695 -0.355 1.00 0.00 C ATOM 1321 CD1 LEU A 88 -0.116 -11.730 -0.892 1.00 0.00 C ATOM 1322 CD2 LEU A 88 2.005 -10.601 -1.250 1.00 0.00 C ATOM 0 H LEU A 88 0.260 -8.333 2.387 1.00 0.00 H new ATOM 0 HA LEU A 88 2.074 -8.554 0.088 1.00 0.00 H new ATOM 0 HB2 LEU A 88 -0.723 -9.498 0.439 1.00 0.00 H new ATOM 0 HB3 LEU A 88 -0.149 -8.995 -1.139 1.00 0.00 H new ATOM 0 HG LEU A 88 1.128 -11.007 0.641 1.00 0.00 H new ATOM 0 HD11 LEU A 88 0.416 -12.675 -1.006 1.00 0.00 H new ATOM 0 HD12 LEU A 88 -0.949 -11.863 -0.201 1.00 0.00 H new ATOM 0 HD13 LEU A 88 -0.497 -11.409 -1.862 1.00 0.00 H new ATOM 0 HD21 LEU A 88 2.453 -11.588 -1.365 1.00 0.00 H new ATOM 0 HD22 LEU A 88 1.697 -10.227 -2.226 1.00 0.00 H new ATOM 0 HD23 LEU A 88 2.736 -9.920 -0.814 1.00 0.00 H new ATOM 1334 N VAL A 89 1.561 -6.400 -0.627 1.00 0.00 N ATOM 1335 CA VAL A 89 1.343 -5.082 -1.116 1.00 0.00 C ATOM 1336 C VAL A 89 1.709 -5.057 -2.586 1.00 0.00 C ATOM 1337 O VAL A 89 2.623 -5.770 -3.015 1.00 0.00 O ATOM 1338 CB VAL A 89 2.181 -4.008 -0.357 1.00 0.00 C ATOM 1339 CG1 VAL A 89 1.840 -3.946 1.121 1.00 0.00 C ATOM 1340 CG2 VAL A 89 3.658 -4.239 -0.545 1.00 0.00 C ATOM 0 H VAL A 89 2.439 -6.818 -0.934 1.00 0.00 H new ATOM 0 HA VAL A 89 0.294 -4.833 -0.959 1.00 0.00 H new ATOM 0 HB VAL A 89 1.918 -3.044 -0.793 1.00 0.00 H new ATOM 0 HG11 VAL A 89 2.451 -3.183 1.604 1.00 0.00 H new ATOM 0 HG12 VAL A 89 0.786 -3.696 1.241 1.00 0.00 H new ATOM 0 HG13 VAL A 89 2.038 -4.914 1.581 1.00 0.00 H new ATOM 0 HG21 VAL A 89 4.217 -3.475 -0.005 1.00 0.00 H new ATOM 0 HG22 VAL A 89 3.924 -5.224 -0.161 1.00 0.00 H new ATOM 0 HG23 VAL A 89 3.903 -4.185 -1.606 1.00 0.00 H new ATOM 1350 N LEU A 90 0.964 -4.349 -3.358 1.00 0.00 N ATOM 1351 CA LEU A 90 1.281 -4.181 -4.746 1.00 0.00 C ATOM 1352 C LEU A 90 1.724 -2.756 -4.948 1.00 0.00 C ATOM 1353 O LEU A 90 1.306 -1.873 -4.213 1.00 0.00 O ATOM 1354 CB LEU A 90 0.056 -4.537 -5.632 1.00 0.00 C ATOM 1355 CG LEU A 90 -1.062 -3.503 -5.717 1.00 0.00 C ATOM 1356 CD1 LEU A 90 -0.786 -2.513 -6.810 1.00 0.00 C ATOM 1357 CD2 LEU A 90 -2.419 -4.133 -5.901 1.00 0.00 C ATOM 0 H LEU A 90 0.118 -3.868 -3.054 1.00 0.00 H new ATOM 0 HA LEU A 90 2.085 -4.855 -5.042 1.00 0.00 H new ATOM 0 HB2 LEU A 90 0.414 -4.732 -6.643 1.00 0.00 H new ATOM 0 HB3 LEU A 90 -0.372 -5.468 -5.260 1.00 0.00 H new ATOM 0 HG LEU A 90 -1.082 -2.979 -4.762 1.00 0.00 H new ATOM 0 HD11 LEU A 90 -1.595 -1.784 -6.854 1.00 0.00 H new ATOM 0 HD12 LEU A 90 0.154 -2.000 -6.607 1.00 0.00 H new ATOM 0 HD13 LEU A 90 -0.716 -3.035 -7.764 1.00 0.00 H new ATOM 0 HD21 LEU A 90 -3.178 -3.353 -5.955 1.00 0.00 H new ATOM 0 HD22 LEU A 90 -2.429 -4.713 -6.824 1.00 0.00 H new ATOM 0 HD23 LEU A 90 -2.633 -4.789 -5.057 1.00 0.00 H new ATOM 1369 N SER A 91 2.538 -2.525 -5.905 1.00 0.00 N ATOM 1370 CA SER A 91 3.024 -1.217 -6.153 1.00 0.00 C ATOM 1371 C SER A 91 2.177 -0.506 -7.197 1.00 0.00 C ATOM 1372 O SER A 91 1.835 -1.064 -8.223 1.00 0.00 O ATOM 1373 CB SER A 91 4.487 -1.278 -6.590 1.00 0.00 C ATOM 1374 OG SER A 91 4.664 -1.702 -7.929 1.00 0.00 O ATOM 0 H SER A 91 2.890 -3.238 -6.544 1.00 0.00 H new ATOM 0 HA SER A 91 2.957 -0.643 -5.229 1.00 0.00 H new ATOM 0 HB2 SER A 91 4.935 -0.292 -6.468 1.00 0.00 H new ATOM 0 HB3 SER A 91 5.026 -1.957 -5.929 1.00 0.00 H new ATOM 0 HG SER A 91 5.620 -1.717 -8.144 1.00 0.00 H new ATOM 1380 N LEU A 92 1.860 0.719 -6.932 1.00 0.00 N ATOM 1381 CA LEU A 92 1.131 1.569 -7.855 1.00 0.00 C ATOM 1382 C LEU A 92 2.104 2.318 -8.746 1.00 0.00 C ATOM 1383 O LEU A 92 1.758 3.313 -9.388 1.00 0.00 O ATOM 1384 CB LEU A 92 0.312 2.548 -7.052 1.00 0.00 C ATOM 1385 CG LEU A 92 -0.877 1.963 -6.327 1.00 0.00 C ATOM 1386 CD1 LEU A 92 -1.372 2.923 -5.325 1.00 0.00 C ATOM 1387 CD2 LEU A 92 -1.979 1.708 -7.293 1.00 0.00 C ATOM 0 H LEU A 92 2.099 1.179 -6.054 1.00 0.00 H new ATOM 0 HA LEU A 92 0.479 0.964 -8.486 1.00 0.00 H new ATOM 0 HB2 LEU A 92 0.963 3.024 -6.319 1.00 0.00 H new ATOM 0 HB3 LEU A 92 -0.043 3.332 -7.721 1.00 0.00 H new ATOM 0 HG LEU A 92 -0.567 1.035 -5.846 1.00 0.00 H new ATOM 0 HD11 LEU A 92 -2.230 2.496 -4.805 1.00 0.00 H new ATOM 0 HD12 LEU A 92 -0.582 3.138 -4.606 1.00 0.00 H new ATOM 0 HD13 LEU A 92 -1.671 3.846 -5.822 1.00 0.00 H new ATOM 0 HD21 LEU A 92 -2.835 1.286 -6.766 1.00 0.00 H new ATOM 0 HD22 LEU A 92 -2.271 2.645 -7.767 1.00 0.00 H new ATOM 0 HD23 LEU A 92 -1.640 1.006 -8.055 1.00 0.00 H new ATOM 1399 N ASP A 93 3.309 1.823 -8.783 1.00 0.00 N ATOM 1400 CA ASP A 93 4.377 2.424 -9.542 1.00 0.00 C ATOM 1401 C ASP A 93 4.769 1.527 -10.691 1.00 0.00 C ATOM 1402 O ASP A 93 4.737 1.938 -11.856 1.00 0.00 O ATOM 1403 CB ASP A 93 5.598 2.714 -8.647 1.00 0.00 C ATOM 1404 CG ASP A 93 5.378 3.862 -7.677 1.00 0.00 C ATOM 1405 OD1 ASP A 93 4.675 3.684 -6.654 1.00 0.00 O ATOM 1406 OD2 ASP A 93 5.903 4.973 -7.929 1.00 0.00 O ATOM 0 H ASP A 93 3.584 0.979 -8.281 1.00 0.00 H new ATOM 0 HA ASP A 93 4.019 3.373 -9.941 1.00 0.00 H new ATOM 0 HB2 ASP A 93 5.847 1.815 -8.083 1.00 0.00 H new ATOM 0 HB3 ASP A 93 6.456 2.942 -9.279 1.00 0.00 H new ATOM 1411 N ASN A 94 5.115 0.298 -10.383 1.00 0.00 N ATOM 1412 CA ASN A 94 5.546 -0.641 -11.422 1.00 0.00 C ATOM 1413 C ASN A 94 4.564 -1.799 -11.514 1.00 0.00 C ATOM 1414 O ASN A 94 4.654 -2.653 -12.401 1.00 0.00 O ATOM 1415 CB ASN A 94 6.967 -1.152 -11.115 1.00 0.00 C ATOM 1416 CG ASN A 94 7.578 -1.995 -12.231 1.00 0.00 C ATOM 1417 OD1 ASN A 94 7.265 -1.825 -13.412 1.00 0.00 O ATOM 1418 ND2 ASN A 94 8.458 -2.890 -11.877 1.00 0.00 N ATOM 0 H ASN A 94 5.111 -0.082 -9.437 1.00 0.00 H new ATOM 0 HA ASN A 94 5.566 -0.128 -12.384 1.00 0.00 H new ATOM 0 HB2 ASN A 94 7.616 -0.297 -10.922 1.00 0.00 H new ATOM 0 HB3 ASN A 94 6.939 -1.744 -10.200 1.00 0.00 H new ATOM 0 HD21 ASN A 94 8.907 -3.472 -12.585 1.00 0.00 H new ATOM 0 HD22 ASN A 94 8.697 -3.008 -10.893 1.00 0.00 H new ATOM 1425 N TRP A 95 3.601 -1.786 -10.601 1.00 0.00 N ATOM 1426 CA TRP A 95 2.611 -2.837 -10.459 1.00 0.00 C ATOM 1427 C TRP A 95 3.276 -4.147 -10.160 1.00 0.00 C ATOM 1428 O TRP A 95 3.225 -5.097 -10.947 1.00 0.00 O ATOM 1429 CB TRP A 95 1.631 -2.930 -11.645 1.00 0.00 C ATOM 1430 CG TRP A 95 0.793 -1.709 -11.802 1.00 0.00 C ATOM 1431 CD1 TRP A 95 1.045 -0.648 -12.607 1.00 0.00 C ATOM 1432 CD2 TRP A 95 -0.430 -1.414 -11.120 1.00 0.00 C ATOM 1433 NE1 TRP A 95 0.059 0.284 -12.469 1.00 0.00 N ATOM 1434 CE2 TRP A 95 -0.856 -0.156 -11.563 1.00 0.00 C ATOM 1435 CE3 TRP A 95 -1.202 -2.091 -10.183 1.00 0.00 C ATOM 1436 CZ2 TRP A 95 -2.021 0.444 -11.098 1.00 0.00 C ATOM 1437 CZ3 TRP A 95 -2.361 -1.496 -9.720 1.00 0.00 C ATOM 1438 CH2 TRP A 95 -2.757 -0.239 -10.179 1.00 0.00 C ATOM 0 H TRP A 95 3.487 -1.029 -9.927 1.00 0.00 H new ATOM 0 HA TRP A 95 1.986 -2.570 -9.607 1.00 0.00 H new ATOM 0 HB2 TRP A 95 2.194 -3.098 -12.563 1.00 0.00 H new ATOM 0 HB3 TRP A 95 0.982 -3.795 -11.506 1.00 0.00 H new ATOM 0 HD1 TRP A 95 1.900 -0.555 -13.261 1.00 0.00 H new ATOM 0 HE1 TRP A 95 0.014 1.173 -12.967 1.00 0.00 H new ATOM 0 HE3 TRP A 95 -0.902 -3.064 -9.823 1.00 0.00 H new ATOM 0 HZ2 TRP A 95 -2.330 1.416 -11.453 1.00 0.00 H new ATOM 0 HZ3 TRP A 95 -2.969 -2.012 -8.992 1.00 0.00 H new ATOM 0 HH2 TRP A 95 -3.666 0.201 -9.797 1.00 0.00 H new ATOM 1449 N SER A 96 3.999 -4.159 -9.072 1.00 0.00 N ATOM 1450 CA SER A 96 4.627 -5.351 -8.643 1.00 0.00 C ATOM 1451 C SER A 96 4.001 -5.769 -7.376 1.00 0.00 C ATOM 1452 O SER A 96 3.305 -4.988 -6.750 1.00 0.00 O ATOM 1453 CB SER A 96 6.099 -5.140 -8.387 1.00 0.00 C ATOM 1454 OG SER A 96 6.729 -4.490 -9.491 1.00 0.00 O ATOM 0 H SER A 96 4.160 -3.348 -8.475 1.00 0.00 H new ATOM 0 HA SER A 96 4.512 -6.103 -9.424 1.00 0.00 H new ATOM 0 HB2 SER A 96 6.232 -4.541 -7.486 1.00 0.00 H new ATOM 0 HB3 SER A 96 6.580 -6.101 -8.205 1.00 0.00 H new ATOM 0 HG SER A 96 7.681 -4.365 -9.297 1.00 0.00 H new ATOM 1460 N VAL A 97 4.244 -6.955 -6.991 1.00 0.00 N ATOM 1461 CA VAL A 97 3.778 -7.413 -5.749 1.00 0.00 C ATOM 1462 C VAL A 97 4.956 -7.656 -4.841 1.00 0.00 C ATOM 1463 O VAL A 97 5.988 -8.151 -5.284 1.00 0.00 O ATOM 1464 CB VAL A 97 2.940 -8.683 -5.914 1.00 0.00 C ATOM 1465 CG1 VAL A 97 2.717 -9.327 -4.616 1.00 0.00 C ATOM 1466 CG2 VAL A 97 1.613 -8.360 -6.473 1.00 0.00 C ATOM 0 H VAL A 97 4.774 -7.640 -7.530 1.00 0.00 H new ATOM 0 HA VAL A 97 3.133 -6.655 -5.304 1.00 0.00 H new ATOM 0 HB VAL A 97 3.488 -9.346 -6.583 1.00 0.00 H new ATOM 0 HG11 VAL A 97 2.119 -10.228 -4.755 1.00 0.00 H new ATOM 0 HG12 VAL A 97 3.676 -9.593 -4.172 1.00 0.00 H new ATOM 0 HG13 VAL A 97 2.189 -8.640 -3.955 1.00 0.00 H new ATOM 0 HG21 VAL A 97 1.032 -9.276 -6.583 1.00 0.00 H new ATOM 0 HG22 VAL A 97 1.092 -7.678 -5.802 1.00 0.00 H new ATOM 0 HG23 VAL A 97 1.734 -7.888 -7.448 1.00 0.00 H new ATOM 1476 N TRP A 98 4.811 -7.310 -3.605 1.00 0.00 N ATOM 1477 CA TRP A 98 5.818 -7.566 -2.655 1.00 0.00 C ATOM 1478 C TRP A 98 5.192 -8.371 -1.558 1.00 0.00 C ATOM 1479 O TRP A 98 4.071 -8.036 -1.096 1.00 0.00 O ATOM 1480 CB TRP A 98 6.428 -6.298 -2.075 1.00 0.00 C ATOM 1481 CG TRP A 98 7.677 -6.624 -1.355 1.00 0.00 C ATOM 1482 CD1 TRP A 98 7.830 -6.882 -0.027 1.00 0.00 C ATOM 1483 CD2 TRP A 98 8.948 -6.794 -1.953 1.00 0.00 C ATOM 1484 NE1 TRP A 98 9.127 -7.220 0.230 1.00 0.00 N ATOM 1485 CE2 TRP A 98 9.836 -7.160 -0.938 1.00 0.00 C ATOM 1486 CE3 TRP A 98 9.421 -6.668 -3.261 1.00 0.00 C ATOM 1487 CZ2 TRP A 98 11.165 -7.410 -1.182 1.00 0.00 C ATOM 1488 CZ3 TRP A 98 10.746 -6.913 -3.511 1.00 0.00 C ATOM 1489 CH2 TRP A 98 11.612 -7.285 -2.473 1.00 0.00 C ATOM 0 H TRP A 98 3.985 -6.841 -3.234 1.00 0.00 H new ATOM 0 HA TRP A 98 6.634 -8.098 -3.144 1.00 0.00 H new ATOM 0 HB2 TRP A 98 6.634 -5.585 -2.873 1.00 0.00 H new ATOM 0 HB3 TRP A 98 5.721 -5.821 -1.396 1.00 0.00 H new ATOM 0 HD1 TRP A 98 7.044 -6.827 0.711 1.00 0.00 H new ATOM 0 HE1 TRP A 98 9.505 -7.475 1.142 1.00 0.00 H new ATOM 0 HE3 TRP A 98 8.754 -6.383 -4.061 1.00 0.00 H new ATOM 0 HZ2 TRP A 98 11.835 -7.695 -0.384 1.00 0.00 H new ATOM 0 HZ3 TRP A 98 11.127 -6.819 -4.517 1.00 0.00 H new ATOM 0 HH2 TRP A 98 12.652 -7.477 -2.694 1.00 0.00 H new ATOM 1500 N CYS A 99 5.867 -9.432 -1.145 1.00 0.00 N ATOM 1501 CA CYS A 99 5.374 -10.234 -0.063 1.00 0.00 C ATOM 1502 C CYS A 99 6.393 -10.192 0.993 1.00 0.00 C ATOM 1503 O CYS A 99 7.487 -10.650 0.786 1.00 0.00 O ATOM 1504 CB CYS A 99 5.084 -11.686 -0.490 1.00 0.00 C ATOM 1505 SG CYS A 99 4.529 -12.801 0.834 1.00 0.00 S ATOM 0 H CYS A 99 6.750 -9.747 -1.546 1.00 0.00 H new ATOM 0 HA CYS A 99 4.421 -9.837 0.287 1.00 0.00 H new ATOM 0 HB2 CYS A 99 4.323 -11.671 -1.270 1.00 0.00 H new ATOM 0 HB3 CYS A 99 5.988 -12.102 -0.935 1.00 0.00 H new ATOM 1510 N TYR A 100 6.043 -9.658 2.113 1.00 0.00 N ATOM 1511 CA TYR A 100 7.003 -9.468 3.191 1.00 0.00 C ATOM 1512 C TYR A 100 7.399 -10.783 3.842 1.00 0.00 C ATOM 1513 O TYR A 100 8.512 -10.956 4.302 1.00 0.00 O ATOM 1514 CB TYR A 100 6.440 -8.542 4.242 1.00 0.00 C ATOM 1515 CG TYR A 100 6.172 -7.133 3.774 1.00 0.00 C ATOM 1516 CD1 TYR A 100 7.206 -6.210 3.608 1.00 0.00 C ATOM 1517 CD2 TYR A 100 4.884 -6.722 3.523 1.00 0.00 C ATOM 1518 CE1 TYR A 100 6.948 -4.920 3.198 1.00 0.00 C ATOM 1519 CE2 TYR A 100 4.614 -5.431 3.109 1.00 0.00 C ATOM 1520 CZ TYR A 100 5.654 -4.534 2.948 1.00 0.00 C ATOM 1521 OH TYR A 100 5.395 -3.245 2.541 1.00 0.00 O ATOM 0 H TYR A 100 5.098 -9.338 2.324 1.00 0.00 H new ATOM 0 HA TYR A 100 7.895 -9.026 2.747 1.00 0.00 H new ATOM 0 HB2 TYR A 100 5.509 -8.967 4.618 1.00 0.00 H new ATOM 0 HB3 TYR A 100 7.135 -8.504 5.081 1.00 0.00 H new ATOM 0 HD1 TYR A 100 8.224 -6.512 3.804 1.00 0.00 H new ATOM 0 HD2 TYR A 100 4.070 -7.420 3.651 1.00 0.00 H new ATOM 0 HE1 TYR A 100 7.758 -4.217 3.074 1.00 0.00 H new ATOM 0 HE2 TYR A 100 3.597 -5.125 2.913 1.00 0.00 H new ATOM 0 HH TYR A 100 6.162 -2.901 2.037 1.00 0.00 H new ATOM 1531 N VAL A 101 6.493 -11.733 3.822 1.00 0.00 N ATOM 1532 CA VAL A 101 6.743 -13.020 4.458 1.00 0.00 C ATOM 1533 C VAL A 101 7.497 -13.959 3.475 1.00 0.00 C ATOM 1534 O VAL A 101 8.004 -15.009 3.844 1.00 0.00 O ATOM 1535 CB VAL A 101 5.418 -13.633 4.973 1.00 0.00 C ATOM 1536 CG1 VAL A 101 4.514 -13.882 3.835 1.00 0.00 C ATOM 1537 CG2 VAL A 101 5.624 -14.892 5.804 1.00 0.00 C ATOM 0 H VAL A 101 5.579 -11.647 3.377 1.00 0.00 H new ATOM 0 HA VAL A 101 7.384 -12.882 5.328 1.00 0.00 H new ATOM 0 HB VAL A 101 4.961 -12.909 5.648 1.00 0.00 H new ATOM 0 HG11 VAL A 101 3.582 -14.314 4.199 1.00 0.00 H new ATOM 0 HG12 VAL A 101 4.304 -12.942 3.325 1.00 0.00 H new ATOM 0 HG13 VAL A 101 4.987 -14.575 3.139 1.00 0.00 H new ATOM 0 HG21 VAL A 101 4.657 -15.272 6.135 1.00 0.00 H new ATOM 0 HG22 VAL A 101 6.124 -15.649 5.200 1.00 0.00 H new ATOM 0 HG23 VAL A 101 6.238 -14.658 6.673 1.00 0.00 H new ATOM 1547 N CYS A 102 7.543 -13.560 2.206 1.00 0.00 N ATOM 1548 CA CYS A 102 8.401 -14.217 1.239 1.00 0.00 C ATOM 1549 C CYS A 102 9.707 -13.441 1.252 1.00 0.00 C ATOM 1550 O CYS A 102 10.807 -13.990 1.129 1.00 0.00 O ATOM 1551 CB CYS A 102 7.806 -14.147 -0.177 1.00 0.00 C ATOM 1552 SG CYS A 102 6.654 -15.446 -0.680 1.00 0.00 S ATOM 0 H CYS A 102 6.995 -12.786 1.830 1.00 0.00 H new ATOM 0 HA CYS A 102 8.525 -15.269 1.495 1.00 0.00 H new ATOM 0 HB2 CYS A 102 7.294 -13.190 -0.277 1.00 0.00 H new ATOM 0 HB3 CYS A 102 8.633 -14.141 -0.887 1.00 0.00 H new ATOM 1557 N ASP A 103 9.522 -12.156 1.476 1.00 0.00 N ATOM 1558 CA ASP A 103 10.537 -11.106 1.478 1.00 0.00 C ATOM 1559 C ASP A 103 11.245 -11.031 0.150 1.00 0.00 C ATOM 1560 O ASP A 103 12.476 -11.106 0.051 1.00 0.00 O ATOM 1561 CB ASP A 103 11.496 -11.170 2.673 1.00 0.00 C ATOM 1562 CG ASP A 103 12.343 -9.905 2.804 1.00 0.00 C ATOM 1563 OD1 ASP A 103 11.784 -8.824 3.114 1.00 0.00 O ATOM 1564 OD2 ASP A 103 13.586 -9.972 2.640 1.00 0.00 O ATOM 0 H ASP A 103 8.593 -11.785 1.677 1.00 0.00 H new ATOM 0 HA ASP A 103 10.007 -10.164 1.615 1.00 0.00 H new ATOM 0 HB2 ASP A 103 10.923 -11.318 3.588 1.00 0.00 H new ATOM 0 HB3 ASP A 103 12.151 -12.034 2.564 1.00 0.00 H new ATOM 1569 N ASN A 104 10.446 -10.934 -0.884 1.00 0.00 N ATOM 1570 CA ASN A 104 10.894 -10.780 -2.192 1.00 0.00 C ATOM 1571 C ASN A 104 9.676 -10.287 -3.012 1.00 0.00 C ATOM 1572 O ASN A 104 8.544 -10.122 -2.441 1.00 0.00 O ATOM 1573 CB ASN A 104 11.394 -12.127 -2.720 1.00 0.00 C ATOM 1574 CG ASN A 104 10.276 -13.061 -2.946 1.00 0.00 C ATOM 1575 OD1 ASN A 104 9.930 -13.846 -2.107 1.00 0.00 O ATOM 1576 ND2 ASN A 104 9.727 -12.987 -4.074 1.00 0.00 N ATOM 0 H ASN A 104 9.430 -10.965 -0.804 1.00 0.00 H new ATOM 0 HA ASN A 104 11.719 -10.071 -2.262 1.00 0.00 H new ATOM 0 HB2 ASN A 104 11.938 -11.975 -3.652 1.00 0.00 H new ATOM 0 HB3 ASN A 104 12.096 -12.562 -2.008 1.00 0.00 H new ATOM 0 HD21 ASN A 104 8.954 -13.610 -4.307 1.00 0.00 H new ATOM 0 HD22 ASN A 104 10.055 -12.304 -4.757 1.00 0.00 H new ATOM 1583 N GLU A 105 9.878 -10.107 -4.303 1.00 0.00 N ATOM 1584 CA GLU A 105 8.861 -9.668 -5.217 1.00 0.00 C ATOM 1585 C GLU A 105 8.071 -10.846 -5.773 1.00 0.00 C ATOM 1586 O GLU A 105 8.659 -11.826 -6.198 1.00 0.00 O ATOM 1587 CB GLU A 105 9.550 -8.979 -6.345 1.00 0.00 C ATOM 1588 CG GLU A 105 8.589 -8.280 -7.254 1.00 0.00 C ATOM 1589 CD GLU A 105 9.237 -7.329 -8.210 1.00 0.00 C ATOM 1590 OE1 GLU A 105 9.395 -6.153 -7.871 1.00 0.00 O ATOM 1591 OE2 GLU A 105 9.591 -7.746 -9.346 1.00 0.00 O ATOM 0 H GLU A 105 10.781 -10.269 -4.749 1.00 0.00 H new ATOM 0 HA GLU A 105 8.165 -9.009 -4.699 1.00 0.00 H new ATOM 0 HB2 GLU A 105 10.261 -8.256 -5.946 1.00 0.00 H new ATOM 0 HB3 GLU A 105 10.124 -9.708 -6.917 1.00 0.00 H new ATOM 0 HG2 GLU A 105 8.033 -9.026 -7.821 1.00 0.00 H new ATOM 0 HG3 GLU A 105 7.865 -7.734 -6.649 1.00 0.00 H new ATOM 1598 N VAL A 106 6.773 -10.740 -5.828 1.00 0.00 N ATOM 1599 CA VAL A 106 5.953 -11.853 -6.260 1.00 0.00 C ATOM 1600 C VAL A 106 5.496 -11.675 -7.705 1.00 0.00 C ATOM 1601 O VAL A 106 5.196 -10.556 -8.145 1.00 0.00 O ATOM 1602 CB VAL A 106 4.715 -12.046 -5.350 1.00 0.00 C ATOM 1603 CG1 VAL A 106 4.022 -13.358 -5.655 1.00 0.00 C ATOM 1604 CG2 VAL A 106 5.119 -11.997 -3.899 1.00 0.00 C ATOM 0 H VAL A 106 6.254 -9.898 -5.581 1.00 0.00 H new ATOM 0 HA VAL A 106 6.577 -12.744 -6.189 1.00 0.00 H new ATOM 0 HB VAL A 106 4.016 -11.234 -5.549 1.00 0.00 H new ATOM 0 HG11 VAL A 106 3.155 -13.472 -5.004 1.00 0.00 H new ATOM 0 HG12 VAL A 106 3.697 -13.365 -6.695 1.00 0.00 H new ATOM 0 HG13 VAL A 106 4.714 -14.183 -5.486 1.00 0.00 H new ATOM 0 HG21 VAL A 106 4.238 -12.134 -3.271 1.00 0.00 H new ATOM 0 HG22 VAL A 106 5.838 -12.791 -3.694 1.00 0.00 H new ATOM 0 HG23 VAL A 106 5.574 -11.031 -3.680 1.00 0.00 H new ATOM 1614 N GLN A 107 5.483 -12.785 -8.430 1.00 0.00 N ATOM 1615 CA GLN A 107 5.027 -12.893 -9.744 1.00 0.00 C ATOM 1616 C GLN A 107 3.675 -13.561 -9.652 1.00 0.00 C ATOM 1617 O GLN A 107 3.428 -14.375 -8.757 1.00 0.00 O ATOM 1618 CB GLN A 107 5.939 -13.790 -10.600 1.00 0.00 C ATOM 1619 CG GLN A 107 7.402 -13.379 -10.761 1.00 0.00 C ATOM 1620 CD GLN A 107 8.253 -13.592 -9.529 1.00 0.00 C ATOM 1621 OE1 GLN A 107 8.796 -14.676 -9.318 1.00 0.00 O ATOM 1622 NE2 GLN A 107 8.460 -12.562 -8.780 1.00 0.00 N ATOM 0 H GLN A 107 5.820 -13.674 -8.060 1.00 0.00 H new ATOM 0 HA GLN A 107 5.001 -11.907 -10.209 1.00 0.00 H new ATOM 0 HB2 GLN A 107 5.919 -14.792 -10.172 1.00 0.00 H new ATOM 0 HB3 GLN A 107 5.500 -13.860 -11.595 1.00 0.00 H new ATOM 0 HG2 GLN A 107 7.835 -13.942 -11.588 1.00 0.00 H new ATOM 0 HG3 GLN A 107 7.442 -12.325 -11.037 1.00 0.00 H new ATOM 0 HE21 GLN A 107 7.992 -11.679 -8.986 1.00 0.00 H new ATOM 0 HE22 GLN A 107 9.092 -12.630 -7.982 1.00 0.00 H new ATOM 1631 N TYR A 108 2.865 -13.242 -10.546 1.00 0.00 N ATOM 1632 CA TYR A 108 1.484 -13.699 -10.582 1.00 0.00 C ATOM 1633 C TYR A 108 0.960 -13.814 -11.990 1.00 0.00 C ATOM 1634 O TYR A 108 1.526 -13.244 -12.927 1.00 0.00 O ATOM 1635 CB TYR A 108 0.591 -12.750 -9.779 1.00 0.00 C ATOM 1636 CG TYR A 108 0.832 -11.298 -10.077 1.00 0.00 C ATOM 1637 CD1 TYR A 108 0.235 -10.667 -11.153 1.00 0.00 C ATOM 1638 CD2 TYR A 108 1.673 -10.570 -9.277 1.00 0.00 C ATOM 1639 CE1 TYR A 108 0.476 -9.344 -11.415 1.00 0.00 C ATOM 1640 CE2 TYR A 108 1.925 -9.260 -9.520 1.00 0.00 C ATOM 1641 CZ TYR A 108 1.326 -8.637 -10.594 1.00 0.00 C ATOM 1642 OH TYR A 108 1.565 -7.312 -10.850 1.00 0.00 O ATOM 0 H TYR A 108 3.111 -12.632 -11.325 1.00 0.00 H new ATOM 0 HA TYR A 108 1.463 -14.693 -10.136 1.00 0.00 H new ATOM 0 HB2 TYR A 108 -0.453 -12.986 -9.985 1.00 0.00 H new ATOM 0 HB3 TYR A 108 0.753 -12.925 -8.715 1.00 0.00 H new ATOM 0 HD1 TYR A 108 -0.430 -11.225 -11.796 1.00 0.00 H new ATOM 0 HD2 TYR A 108 2.146 -11.051 -8.433 1.00 0.00 H new ATOM 0 HE1 TYR A 108 0.004 -8.860 -12.257 1.00 0.00 H new ATOM 0 HE2 TYR A 108 2.592 -8.707 -8.875 1.00 0.00 H new ATOM 0 HH TYR A 108 2.502 -7.105 -10.653 1.00 0.00 H new ATOM 1652 N CYS A 109 -0.082 -14.556 -12.135 1.00 0.00 N ATOM 1653 CA CYS A 109 -0.780 -14.665 -13.370 1.00 0.00 C ATOM 1654 C CYS A 109 -2.234 -14.391 -13.076 1.00 0.00 C ATOM 1655 O CYS A 109 -2.648 -14.465 -11.910 1.00 0.00 O ATOM 1656 CB CYS A 109 -0.616 -16.060 -13.959 1.00 0.00 C ATOM 1657 SG CYS A 109 -1.300 -17.382 -12.931 1.00 0.00 S ATOM 0 H CYS A 109 -0.482 -15.116 -11.383 1.00 0.00 H new ATOM 0 HA CYS A 109 -0.386 -13.956 -14.099 1.00 0.00 H new ATOM 0 HB2 CYS A 109 -1.097 -16.089 -14.936 1.00 0.00 H new ATOM 0 HB3 CYS A 109 0.445 -16.252 -14.120 1.00 0.00 H new ATOM 0 HG CYS A 109 -1.114 -18.528 -13.517 1.00 0.00 H new ATOM 1663 N SER A 110 -3.010 -14.117 -14.088 1.00 0.00 N ATOM 1664 CA SER A 110 -4.416 -13.806 -13.926 1.00 0.00 C ATOM 1665 C SER A 110 -5.246 -15.057 -13.557 1.00 0.00 C ATOM 1666 O SER A 110 -6.447 -14.974 -13.346 1.00 0.00 O ATOM 1667 CB SER A 110 -4.918 -13.164 -15.206 1.00 0.00 C ATOM 1668 OG SER A 110 -4.041 -12.107 -15.588 1.00 0.00 O ATOM 0 H SER A 110 -2.690 -14.101 -15.056 1.00 0.00 H new ATOM 0 HA SER A 110 -4.535 -13.110 -13.096 1.00 0.00 H new ATOM 0 HB2 SER A 110 -4.974 -13.908 -16.000 1.00 0.00 H new ATOM 0 HB3 SER A 110 -5.927 -12.778 -15.060 1.00 0.00 H new ATOM 0 HG SER A 110 -4.366 -11.695 -16.416 1.00 0.00 H new ATOM 1674 N SER A 111 -4.597 -16.205 -13.493 1.00 0.00 N ATOM 1675 CA SER A 111 -5.246 -17.432 -13.077 1.00 0.00 C ATOM 1676 C SER A 111 -5.155 -17.545 -11.557 1.00 0.00 C ATOM 1677 O SER A 111 -5.974 -18.189 -10.908 1.00 0.00 O ATOM 1678 CB SER A 111 -4.540 -18.606 -13.735 1.00 0.00 C ATOM 1679 OG SER A 111 -4.306 -18.331 -15.117 1.00 0.00 O ATOM 0 H SER A 111 -3.610 -16.312 -13.727 1.00 0.00 H new ATOM 0 HA SER A 111 -6.295 -17.432 -13.374 1.00 0.00 H new ATOM 0 HB2 SER A 111 -3.594 -18.800 -13.230 1.00 0.00 H new ATOM 0 HB3 SER A 111 -5.145 -19.507 -13.634 1.00 0.00 H new ATOM 0 HG SER A 111 -3.849 -19.094 -15.530 1.00 0.00 H new ATOM 1685 N ASN A 112 -4.171 -16.884 -11.005 1.00 0.00 N ATOM 1686 CA ASN A 112 -3.957 -16.875 -9.589 1.00 0.00 C ATOM 1687 C ASN A 112 -4.680 -15.682 -9.024 1.00 0.00 C ATOM 1688 O ASN A 112 -4.769 -14.649 -9.681 1.00 0.00 O ATOM 1689 CB ASN A 112 -2.466 -16.770 -9.275 1.00 0.00 C ATOM 1690 CG ASN A 112 -2.179 -16.823 -7.788 1.00 0.00 C ATOM 1691 OD1 ASN A 112 -2.215 -15.811 -7.107 1.00 0.00 O ATOM 1692 ND2 ASN A 112 -1.870 -17.980 -7.288 1.00 0.00 N ATOM 0 H ASN A 112 -3.493 -16.334 -11.533 1.00 0.00 H new ATOM 0 HA ASN A 112 -4.331 -17.799 -9.148 1.00 0.00 H new ATOM 0 HB2 ASN A 112 -1.935 -17.582 -9.773 1.00 0.00 H new ATOM 0 HB3 ASN A 112 -2.077 -15.837 -9.683 1.00 0.00 H new ATOM 0 HD21 ASN A 112 -1.647 -18.064 -6.296 1.00 0.00 H new ATOM 0 HD22 ASN A 112 -1.850 -18.805 -7.887 1.00 0.00 H new ATOM 1699 N GLN A 113 -5.193 -15.815 -7.820 1.00 0.00 N ATOM 1700 CA GLN A 113 -5.957 -14.761 -7.138 1.00 0.00 C ATOM 1701 C GLN A 113 -5.175 -13.457 -7.063 1.00 0.00 C ATOM 1702 O GLN A 113 -5.756 -12.374 -7.140 1.00 0.00 O ATOM 1703 CB GLN A 113 -6.310 -15.200 -5.716 1.00 0.00 C ATOM 1704 CG GLN A 113 -7.078 -14.155 -4.919 1.00 0.00 C ATOM 1705 CD GLN A 113 -7.260 -14.488 -3.451 1.00 0.00 C ATOM 1706 OE1 GLN A 113 -8.239 -15.121 -3.062 1.00 0.00 O ATOM 1707 NE2 GLN A 113 -6.334 -14.050 -2.636 1.00 0.00 N ATOM 0 H GLN A 113 -5.096 -16.667 -7.268 1.00 0.00 H new ATOM 0 HA GLN A 113 -6.864 -14.594 -7.720 1.00 0.00 H new ATOM 0 HB2 GLN A 113 -6.903 -16.113 -5.765 1.00 0.00 H new ATOM 0 HB3 GLN A 113 -5.391 -15.445 -5.184 1.00 0.00 H new ATOM 0 HG2 GLN A 113 -6.557 -13.201 -5.000 1.00 0.00 H new ATOM 0 HG3 GLN A 113 -8.060 -14.021 -5.372 1.00 0.00 H new ATOM 0 HE21 GLN A 113 -5.538 -13.528 -3.002 1.00 0.00 H new ATOM 0 HE22 GLN A 113 -6.409 -14.230 -1.635 1.00 0.00 H new ATOM 1716 N LEU A 114 -3.874 -13.556 -6.946 1.00 0.00 N ATOM 1717 CA LEU A 114 -3.022 -12.398 -6.835 1.00 0.00 C ATOM 1718 C LEU A 114 -3.044 -11.609 -8.125 1.00 0.00 C ATOM 1719 O LEU A 114 -3.249 -10.395 -8.108 1.00 0.00 O ATOM 1720 CB LEU A 114 -1.607 -12.851 -6.492 1.00 0.00 C ATOM 1721 CG LEU A 114 -0.548 -11.778 -6.344 1.00 0.00 C ATOM 1722 CD1 LEU A 114 -0.938 -10.793 -5.270 1.00 0.00 C ATOM 1723 CD2 LEU A 114 0.767 -12.418 -6.004 1.00 0.00 C ATOM 0 H LEU A 114 -3.374 -14.445 -6.925 1.00 0.00 H new ATOM 0 HA LEU A 114 -3.385 -11.746 -6.041 1.00 0.00 H new ATOM 0 HB2 LEU A 114 -1.650 -13.413 -5.559 1.00 0.00 H new ATOM 0 HB3 LEU A 114 -1.278 -13.544 -7.266 1.00 0.00 H new ATOM 0 HG LEU A 114 -0.456 -11.238 -7.286 1.00 0.00 H new ATOM 0 HD11 LEU A 114 -0.165 -10.030 -5.178 1.00 0.00 H new ATOM 0 HD12 LEU A 114 -1.884 -10.321 -5.535 1.00 0.00 H new ATOM 0 HD13 LEU A 114 -1.047 -11.315 -4.319 1.00 0.00 H new ATOM 0 HD21 LEU A 114 1.530 -11.647 -5.897 1.00 0.00 H new ATOM 0 HD22 LEU A 114 0.673 -12.968 -5.067 1.00 0.00 H new ATOM 0 HD23 LEU A 114 1.054 -13.105 -6.800 1.00 0.00 H new ATOM 1735 N GLY A 115 -2.916 -12.313 -9.240 1.00 0.00 N ATOM 1736 CA GLY A 115 -2.976 -11.663 -10.522 1.00 0.00 C ATOM 1737 C GLY A 115 -4.351 -11.124 -10.761 1.00 0.00 C ATOM 1738 O GLY A 115 -4.500 -10.017 -11.245 1.00 0.00 O ATOM 0 H GLY A 115 -2.772 -13.322 -9.274 1.00 0.00 H new ATOM 0 HA2 GLY A 115 -2.247 -10.853 -10.562 1.00 0.00 H new ATOM 0 HA3 GLY A 115 -2.712 -12.369 -11.309 1.00 0.00 H new ATOM 1742 N GLN A 116 -5.365 -11.914 -10.382 1.00 0.00 N ATOM 1743 CA GLN A 116 -6.776 -11.522 -10.476 1.00 0.00 C ATOM 1744 C GLN A 116 -7.031 -10.219 -9.776 1.00 0.00 C ATOM 1745 O GLN A 116 -7.677 -9.306 -10.320 1.00 0.00 O ATOM 1746 CB GLN A 116 -7.667 -12.595 -9.835 1.00 0.00 C ATOM 1747 CG GLN A 116 -7.601 -13.909 -10.541 1.00 0.00 C ATOM 1748 CD GLN A 116 -8.599 -14.943 -10.047 1.00 0.00 C ATOM 1749 OE1 GLN A 116 -9.750 -14.961 -10.474 1.00 0.00 O ATOM 1750 NE2 GLN A 116 -8.140 -15.883 -9.277 1.00 0.00 N ATOM 0 H GLN A 116 -5.227 -12.849 -9.999 1.00 0.00 H new ATOM 0 HA GLN A 116 -7.012 -11.413 -11.535 1.00 0.00 H new ATOM 0 HB2 GLN A 116 -7.369 -12.732 -8.795 1.00 0.00 H new ATOM 0 HB3 GLN A 116 -8.699 -12.245 -9.827 1.00 0.00 H new ATOM 0 HG2 GLN A 116 -7.766 -13.743 -11.606 1.00 0.00 H new ATOM 0 HG3 GLN A 116 -6.595 -14.314 -10.434 1.00 0.00 H new ATOM 0 HE21 GLN A 116 -7.179 -15.841 -8.938 1.00 0.00 H new ATOM 0 HE22 GLN A 116 -8.741 -16.664 -9.012 1.00 0.00 H new ATOM 1759 N VAL A 117 -6.473 -10.098 -8.613 1.00 0.00 N ATOM 1760 CA VAL A 117 -6.723 -8.938 -7.821 1.00 0.00 C ATOM 1761 C VAL A 117 -5.909 -7.772 -8.259 1.00 0.00 C ATOM 1762 O VAL A 117 -6.433 -6.699 -8.359 1.00 0.00 O ATOM 1763 CB VAL A 117 -6.696 -9.176 -6.315 1.00 0.00 C ATOM 1764 CG1 VAL A 117 -6.502 -7.891 -5.536 1.00 0.00 C ATOM 1765 CG2 VAL A 117 -7.992 -9.783 -5.944 1.00 0.00 C ATOM 0 H VAL A 117 -5.845 -10.784 -8.194 1.00 0.00 H new ATOM 0 HA VAL A 117 -7.763 -8.677 -8.015 1.00 0.00 H new ATOM 0 HB VAL A 117 -5.856 -9.827 -6.071 1.00 0.00 H new ATOM 0 HG11 VAL A 117 -6.489 -8.111 -4.469 1.00 0.00 H new ATOM 0 HG12 VAL A 117 -5.556 -7.431 -5.823 1.00 0.00 H new ATOM 0 HG13 VAL A 117 -7.320 -7.205 -5.756 1.00 0.00 H new ATOM 0 HG21 VAL A 117 -8.012 -9.969 -4.870 1.00 0.00 H new ATOM 0 HG22 VAL A 117 -8.802 -9.103 -6.210 1.00 0.00 H new ATOM 0 HG23 VAL A 117 -8.119 -10.725 -6.478 1.00 0.00 H new ATOM 1775 N VAL A 118 -4.643 -7.969 -8.532 1.00 0.00 N ATOM 1776 CA VAL A 118 -3.820 -6.887 -9.113 1.00 0.00 C ATOM 1777 C VAL A 118 -4.469 -6.343 -10.367 1.00 0.00 C ATOM 1778 O VAL A 118 -4.513 -5.138 -10.572 1.00 0.00 O ATOM 1779 CB VAL A 118 -2.366 -7.334 -9.435 1.00 0.00 C ATOM 1780 CG1 VAL A 118 -1.597 -6.236 -10.177 1.00 0.00 C ATOM 1781 CG2 VAL A 118 -1.630 -7.675 -8.166 1.00 0.00 C ATOM 0 H VAL A 118 -4.148 -8.846 -8.372 1.00 0.00 H new ATOM 0 HA VAL A 118 -3.760 -6.107 -8.354 1.00 0.00 H new ATOM 0 HB VAL A 118 -2.429 -8.214 -10.075 1.00 0.00 H new ATOM 0 HG11 VAL A 118 -0.584 -6.580 -10.387 1.00 0.00 H new ATOM 0 HG12 VAL A 118 -2.104 -6.006 -11.114 1.00 0.00 H new ATOM 0 HG13 VAL A 118 -1.555 -5.340 -9.558 1.00 0.00 H new ATOM 0 HG21 VAL A 118 -0.614 -7.986 -8.407 1.00 0.00 H new ATOM 0 HG22 VAL A 118 -1.597 -6.799 -7.518 1.00 0.00 H new ATOM 0 HG23 VAL A 118 -2.146 -8.487 -7.653 1.00 0.00 H new ATOM 1791 N ASP A 119 -5.054 -7.230 -11.143 1.00 0.00 N ATOM 1792 CA ASP A 119 -5.744 -6.835 -12.372 1.00 0.00 C ATOM 1793 C ASP A 119 -6.954 -6.005 -11.999 1.00 0.00 C ATOM 1794 O ASP A 119 -7.147 -4.904 -12.500 1.00 0.00 O ATOM 1795 CB ASP A 119 -6.210 -8.057 -13.160 1.00 0.00 C ATOM 1796 CG ASP A 119 -6.919 -7.676 -14.443 1.00 0.00 C ATOM 1797 OD1 ASP A 119 -6.252 -7.467 -15.461 1.00 0.00 O ATOM 1798 OD2 ASP A 119 -8.176 -7.594 -14.455 1.00 0.00 O ATOM 0 H ASP A 119 -5.071 -8.232 -10.953 1.00 0.00 H new ATOM 0 HA ASP A 119 -5.053 -6.265 -12.994 1.00 0.00 H new ATOM 0 HB2 ASP A 119 -5.350 -8.685 -13.395 1.00 0.00 H new ATOM 0 HB3 ASP A 119 -6.880 -8.653 -12.540 1.00 0.00 H new ATOM 1803 N TYR A 120 -7.684 -6.506 -11.025 1.00 0.00 N ATOM 1804 CA TYR A 120 -8.904 -5.875 -10.538 1.00 0.00 C ATOM 1805 C TYR A 120 -8.590 -4.502 -9.954 1.00 0.00 C ATOM 1806 O TYR A 120 -9.196 -3.512 -10.300 1.00 0.00 O ATOM 1807 CB TYR A 120 -9.617 -6.810 -9.512 1.00 0.00 C ATOM 1808 CG TYR A 120 -10.466 -6.126 -8.464 1.00 0.00 C ATOM 1809 CD1 TYR A 120 -11.717 -5.622 -8.743 1.00 0.00 C ATOM 1810 CD2 TYR A 120 -9.977 -5.979 -7.175 1.00 0.00 C ATOM 1811 CE1 TYR A 120 -12.440 -4.984 -7.774 1.00 0.00 C ATOM 1812 CE2 TYR A 120 -10.703 -5.354 -6.206 1.00 0.00 C ATOM 1813 CZ TYR A 120 -11.935 -4.854 -6.514 1.00 0.00 C ATOM 1814 OH TYR A 120 -12.666 -4.200 -5.570 1.00 0.00 O ATOM 0 H TYR A 120 -7.449 -7.372 -10.540 1.00 0.00 H new ATOM 0 HA TYR A 120 -9.593 -5.720 -11.368 1.00 0.00 H new ATOM 0 HB2 TYR A 120 -10.249 -7.506 -10.064 1.00 0.00 H new ATOM 0 HB3 TYR A 120 -8.857 -7.404 -9.004 1.00 0.00 H new ATOM 0 HD1 TYR A 120 -12.130 -5.732 -9.735 1.00 0.00 H new ATOM 0 HD2 TYR A 120 -8.999 -6.368 -6.934 1.00 0.00 H new ATOM 0 HE1 TYR A 120 -13.415 -4.581 -8.007 1.00 0.00 H new ATOM 0 HE2 TYR A 120 -10.308 -5.255 -5.206 1.00 0.00 H new ATOM 0 HH TYR A 120 -13.614 -4.218 -5.820 1.00 0.00 H new ATOM 1824 N VAL A 121 -7.596 -4.433 -9.162 1.00 0.00 N ATOM 1825 CA VAL A 121 -7.249 -3.214 -8.497 1.00 0.00 C ATOM 1826 C VAL A 121 -6.674 -2.222 -9.499 1.00 0.00 C ATOM 1827 O VAL A 121 -6.858 -1.006 -9.369 1.00 0.00 O ATOM 1828 CB VAL A 121 -6.262 -3.468 -7.330 1.00 0.00 C ATOM 1829 CG1 VAL A 121 -5.828 -2.195 -6.672 1.00 0.00 C ATOM 1830 CG2 VAL A 121 -6.871 -4.391 -6.307 1.00 0.00 C ATOM 0 H VAL A 121 -6.985 -5.220 -8.945 1.00 0.00 H new ATOM 0 HA VAL A 121 -8.154 -2.787 -8.064 1.00 0.00 H new ATOM 0 HB VAL A 121 -5.378 -3.940 -7.760 1.00 0.00 H new ATOM 0 HG11 VAL A 121 -5.137 -2.422 -5.860 1.00 0.00 H new ATOM 0 HG12 VAL A 121 -5.331 -1.558 -7.404 1.00 0.00 H new ATOM 0 HG13 VAL A 121 -6.700 -1.677 -6.272 1.00 0.00 H new ATOM 0 HG21 VAL A 121 -6.161 -4.555 -5.497 1.00 0.00 H new ATOM 0 HG22 VAL A 121 -7.780 -3.942 -5.907 1.00 0.00 H new ATOM 0 HG23 VAL A 121 -7.114 -5.345 -6.776 1.00 0.00 H new ATOM 1840 N ARG A 122 -6.053 -2.741 -10.525 1.00 0.00 N ATOM 1841 CA ARG A 122 -5.554 -1.925 -11.573 1.00 0.00 C ATOM 1842 C ARG A 122 -6.726 -1.370 -12.367 1.00 0.00 C ATOM 1843 O ARG A 122 -6.655 -0.278 -12.907 1.00 0.00 O ATOM 1844 CB ARG A 122 -4.569 -2.694 -12.439 1.00 0.00 C ATOM 1845 CG ARG A 122 -3.860 -1.829 -13.437 1.00 0.00 C ATOM 1846 CD ARG A 122 -2.571 -2.472 -13.894 1.00 0.00 C ATOM 1847 NE ARG A 122 -1.890 -1.676 -14.912 1.00 0.00 N ATOM 1848 CZ ARG A 122 -0.916 -2.122 -15.705 1.00 0.00 C ATOM 1849 NH1 ARG A 122 -0.504 -3.380 -15.619 1.00 0.00 N ATOM 1850 NH2 ARG A 122 -0.357 -1.302 -16.586 1.00 0.00 N ATOM 0 H ARG A 122 -5.885 -3.740 -10.647 1.00 0.00 H new ATOM 0 HA ARG A 122 -4.997 -1.085 -11.159 1.00 0.00 H new ATOM 0 HB2 ARG A 122 -3.832 -3.177 -11.798 1.00 0.00 H new ATOM 0 HB3 ARG A 122 -5.100 -3.486 -12.967 1.00 0.00 H new ATOM 0 HG2 ARG A 122 -4.507 -1.654 -14.296 1.00 0.00 H new ATOM 0 HG3 ARG A 122 -3.648 -0.856 -12.994 1.00 0.00 H new ATOM 0 HD2 ARG A 122 -1.910 -2.606 -13.038 1.00 0.00 H new ATOM 0 HD3 ARG A 122 -2.783 -3.464 -14.292 1.00 0.00 H new ATOM 0 HE ARG A 122 -2.182 -0.705 -15.025 1.00 0.00 H new ATOM 0 HH11 ARG A 122 -0.933 -4.012 -14.943 1.00 0.00 H new ATOM 0 HH12 ARG A 122 0.242 -3.715 -16.229 1.00 0.00 H new ATOM 0 HH21 ARG A 122 -0.673 -0.335 -16.654 1.00 0.00 H new ATOM 0 HH22 ARG A 122 0.389 -1.639 -17.195 1.00 0.00 H new ATOM 1864 N LYS A 123 -7.822 -2.113 -12.401 1.00 0.00 N ATOM 1865 CA LYS A 123 -9.067 -1.646 -13.003 1.00 0.00 C ATOM 1866 C LYS A 123 -9.758 -0.650 -12.071 1.00 0.00 C ATOM 1867 O LYS A 123 -10.553 0.160 -12.513 1.00 0.00 O ATOM 1868 CB LYS A 123 -10.018 -2.836 -13.234 1.00 0.00 C ATOM 1869 CG LYS A 123 -9.447 -3.948 -14.094 1.00 0.00 C ATOM 1870 CD LYS A 123 -9.261 -3.505 -15.512 1.00 0.00 C ATOM 1871 CE LYS A 123 -8.468 -4.523 -16.347 1.00 0.00 C ATOM 1872 NZ LYS A 123 -9.064 -5.877 -16.332 1.00 0.00 N ATOM 0 H LYS A 123 -7.876 -3.055 -12.014 1.00 0.00 H new ATOM 0 HA LYS A 123 -8.832 -1.166 -13.953 1.00 0.00 H new ATOM 0 HB2 LYS A 123 -10.299 -3.252 -12.266 1.00 0.00 H new ATOM 0 HB3 LYS A 123 -10.932 -2.468 -13.700 1.00 0.00 H new ATOM 0 HG2 LYS A 123 -8.490 -4.271 -13.684 1.00 0.00 H new ATOM 0 HG3 LYS A 123 -10.113 -4.810 -14.066 1.00 0.00 H new ATOM 0 HD2 LYS A 123 -10.237 -3.345 -15.970 1.00 0.00 H new ATOM 0 HD3 LYS A 123 -8.742 -2.546 -15.525 1.00 0.00 H new ATOM 0 HE2 LYS A 123 -8.408 -4.171 -17.377 1.00 0.00 H new ATOM 0 HE3 LYS A 123 -7.447 -4.578 -15.968 1.00 0.00 H new ATOM 0 HZ1 LYS A 123 -8.686 -6.431 -17.127 1.00 0.00 H new ATOM 0 HZ2 LYS A 123 -8.828 -6.350 -15.437 1.00 0.00 H new ATOM 0 HZ3 LYS A 123 -10.097 -5.802 -16.422 1.00 0.00 H new ATOM 1886 N GLN A 124 -9.470 -0.738 -10.768 1.00 0.00 N ATOM 1887 CA GLN A 124 -10.094 0.190 -9.811 1.00 0.00 C ATOM 1888 C GLN A 124 -9.440 1.530 -9.899 1.00 0.00 C ATOM 1889 O GLN A 124 -10.091 2.561 -10.070 1.00 0.00 O ATOM 1890 CB GLN A 124 -10.016 -0.274 -8.355 1.00 0.00 C ATOM 1891 CG GLN A 124 -10.740 -1.558 -8.039 1.00 0.00 C ATOM 1892 CD GLN A 124 -11.888 -1.861 -8.959 1.00 0.00 C ATOM 1893 OE1 GLN A 124 -13.017 -1.464 -8.734 1.00 0.00 O ATOM 1894 NE2 GLN A 124 -11.591 -2.603 -9.967 1.00 0.00 N ATOM 0 H GLN A 124 -8.830 -1.418 -10.358 1.00 0.00 H new ATOM 0 HA GLN A 124 -11.147 0.232 -10.091 1.00 0.00 H new ATOM 0 HB2 GLN A 124 -8.966 -0.395 -8.087 1.00 0.00 H new ATOM 0 HB3 GLN A 124 -10.419 0.515 -7.719 1.00 0.00 H new ATOM 0 HG2 GLN A 124 -10.028 -2.383 -8.081 1.00 0.00 H new ATOM 0 HG3 GLN A 124 -11.112 -1.510 -7.016 1.00 0.00 H new ATOM 0 HE21 GLN A 124 -10.628 -2.908 -10.109 1.00 0.00 H new ATOM 0 HE22 GLN A 124 -12.318 -2.886 -10.624 1.00 0.00 H new ATOM 1903 N ALA A 125 -8.136 1.500 -9.773 1.00 0.00 N ATOM 1904 CA ALA A 125 -7.322 2.675 -9.811 1.00 0.00 C ATOM 1905 C ALA A 125 -7.328 3.268 -11.205 1.00 0.00 C ATOM 1906 O ALA A 125 -7.490 4.472 -11.369 1.00 0.00 O ATOM 1907 CB ALA A 125 -5.921 2.313 -9.351 1.00 0.00 C ATOM 0 H ALA A 125 -7.607 0.638 -9.639 1.00 0.00 H new ATOM 0 HA ALA A 125 -7.720 3.436 -9.139 1.00 0.00 H new ATOM 0 HB1 ALA A 125 -5.289 3.201 -9.375 1.00 0.00 H new ATOM 0 HB2 ALA A 125 -5.961 1.924 -8.334 1.00 0.00 H new ATOM 0 HB3 ALA A 125 -5.505 1.554 -10.014 1.00 0.00 H new ATOM 1913 N SER A 126 -7.200 2.383 -12.186 1.00 0.00 N ATOM 1914 CA SER A 126 -7.243 2.681 -13.617 1.00 0.00 C ATOM 1915 C SER A 126 -6.517 3.979 -14.033 1.00 0.00 C ATOM 1916 O SER A 126 -7.180 5.023 -14.222 1.00 0.00 O ATOM 1917 CB SER A 126 -8.690 2.570 -14.156 1.00 0.00 C ATOM 1918 OG SER A 126 -9.621 3.322 -13.361 1.00 0.00 O ATOM 1919 OXT SER A 126 -5.269 3.951 -14.158 1.00 0.00 O ATOM 0 H SER A 126 -7.057 1.391 -11.999 1.00 0.00 H new ATOM 0 HA SER A 126 -6.650 1.911 -14.109 1.00 0.00 H new ATOM 0 HB2 SER A 126 -8.722 2.927 -15.185 1.00 0.00 H new ATOM 0 HB3 SER A 126 -8.991 1.523 -14.173 1.00 0.00 H new ATOM 0 HG SER A 126 -10.522 3.227 -13.735 1.00 0.00 H new TER 1925 SER A 126 HETATM 1926 ZN ZN A 336 2.603 7.488 3.570 1.00 0.00 ZN HETATM 1927 ZN ZN A 337 -3.413 -4.321 5.526 1.00 0.00 ZN HETATM 1928 ZN ZN A 338 4.573 -15.012 0.114 1.00 0.00 ZN