USER MOD reduce.3.24.130724 H: found=0, std=0, add=748, rem=0, adj=30 USER MOD reduce.3.24.130724 removed 756 hydrogens (18 hets) USER MOD ----------------------------------------------------------------- USER MOD scores for adjustable sidechains, with "set" totals for H,N and Q USER MOD "o" means original, "f" means flipped, "180deg" is methyl default USER MOD "!" flags a clash with an overlap of 0.40A or greater USER MOD flip categories: "K"=keep, "C"=clashes, "X"=uncertain, "F"=flip USER MOD Set 1.1: A 53 SER OG : rot -62:sc= 0.554 USER MOD Set 1.2: A 65 THR OG1 : rot -121:sc= -0.441 USER MOD Set 2.1: A 36 GLN :FLIP amide:sc= -3.11! C(o=-16!,f=-15!) USER MOD Set 2.2: A 48 ASN : amide:sc= -11.5! C(o=-15!,f=-24!) USER MOD Set 3.1: A 27 GLN :FLIP amide:sc= -0.711 F(o=-2.8,f=-1.9) USER MOD Set 3.2: A 30 THR OG1 : rot -120:sc= -1.19! USER MOD Set 3.3: A 32 TYR OH : rot 180:sc= 0 USER MOD Single : A 1 ALA N :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 4 THR OG1 : rot -75:sc= 0.545 USER MOD Single : A 6 THR OG1 : rot -98:sc= 1.23 USER MOD Single : A 8 THR OG1 : rot -80:sc= -0.218 USER MOD Single : A 10 SER OG : rot -130:sc= -1.19 USER MOD Single : A 11 SER OG : rot 180:sc= 0 USER MOD Single : A 14 SER OG : rot 180:sc= 0 USER MOD Single : A 17 THR OG1 : rot -170:sc= -1.16! USER MOD Single : A 20 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 42 THR OG1 : rot 180:sc= 0 USER MOD Single : A 54 SER OG : rot 22:sc= 0.263 USER MOD Single : A 56 THR OG1 : rot -17:sc= -5.98! USER MOD Single : A 60 ASN : amide:sc= -0.334 K(o=-0.33,f=-1.8!) USER MOD Single : A 62 SER OG : rot 180:sc= -1.1 USER MOD Single : A 64 SER OG : rot 48:sc= 0.688 USER MOD Single : A 66 SER OG : rot 180:sc= 0 USER MOD Single : A 68 THR OG1 : rot 180:sc= -2.56! USER MOD Single : A 72 SER OG : rot 180:sc= 0.0225 USER MOD Single : A 81 THR OG1 : rot 180:sc= 0 USER MOD Single : A 85 THR OG1 : rot 85:sc= 1.94! USER MOD Single : A 89 THR OG1 : rot -36:sc= 0.425 USER MOD Single : A 90 THR OG1 : rot 180:sc= 0 USER MOD Single : A 94 GLN : amide:sc= -1.04 K(o=-1,f=-8.3!) USER MOD Single : A 98 SER OG : rot 180:sc= 0 USER MOD Single : A 103 ASN : amide:sc= -0.964 X(o=-0.96,f=-0.72) USER MOD Single : A 111 SER OG : rot 74:sc= 1.15 USER MOD Single : A 113 ASN : amide:sc= -0.146 X(o=-0.15,f=-0.086) USER MOD Single : A 130 NCZ O2 : rot 170:sc= 0.817 USER MOD Single : A 130 NCZ O5 : rot -145:sc= -0.0731 USER MOD Single : A 130 NCZ O6 : rot 92:sc= 1.11 USER MOD ----------------------------------------------------------------- ATOM 1 N ALA A 1 -13.301 -4.130 14.426 1.00 0.00 N ATOM 2 CA ALA A 1 -12.453 -3.260 15.222 1.00 0.00 C ATOM 3 C ALA A 1 -11.649 -2.347 14.293 1.00 0.00 C ATOM 4 O ALA A 1 -10.430 -2.473 14.194 1.00 0.00 O ATOM 5 CB ALA A 1 -11.553 -4.111 16.123 1.00 0.00 C ATOM 0 H1 ALA A 1 -13.848 -4.751 15.055 1.00 0.00 H new ATOM 0 H2 ALA A 1 -13.953 -3.553 13.856 1.00 0.00 H new ATOM 0 H3 ALA A 1 -12.710 -4.709 13.796 1.00 0.00 H new ATOM 0 HA ALA A 1 -13.057 -2.623 15.869 1.00 0.00 H new ATOM 0 HB1 ALA A 1 -10.916 -3.459 16.721 1.00 0.00 H new ATOM 0 HB2 ALA A 1 -12.171 -4.720 16.783 1.00 0.00 H new ATOM 0 HB3 ALA A 1 -10.931 -4.760 15.507 1.00 0.00 H new ATOM 11 N ALA A 2 -12.367 -1.448 13.637 1.00 0.00 N ATOM 12 CA ALA A 2 -11.737 -0.513 12.720 1.00 0.00 C ATOM 13 C ALA A 2 -10.828 -1.282 11.759 1.00 0.00 C ATOM 14 O ALA A 2 -9.610 -1.111 11.781 1.00 0.00 O ATOM 15 CB ALA A 2 -10.979 0.551 13.515 1.00 0.00 C ATOM 0 H ALA A 2 -13.378 -1.347 13.722 1.00 0.00 H new ATOM 0 HA ALA A 2 -12.488 0.002 12.122 1.00 0.00 H new ATOM 0 HB1 ALA A 2 -10.507 1.252 12.827 1.00 0.00 H new ATOM 0 HB2 ALA A 2 -11.675 1.088 14.159 1.00 0.00 H new ATOM 0 HB3 ALA A 2 -10.214 0.072 14.127 1.00 0.00 H new ATOM 21 N PRO A 3 -11.470 -2.135 10.917 1.00 0.00 N ATOM 22 CA PRO A 3 -10.732 -2.930 9.951 1.00 0.00 C ATOM 23 C PRO A 3 -10.261 -2.069 8.777 1.00 0.00 C ATOM 24 O PRO A 3 -9.063 -1.857 8.601 1.00 0.00 O ATOM 25 CB PRO A 3 -11.693 -4.031 9.533 1.00 0.00 C ATOM 26 CG PRO A 3 -13.079 -3.545 9.924 1.00 0.00 C ATOM 27 CD PRO A 3 -12.911 -2.362 10.861 1.00 0.00 C ATOM 0 HA PRO A 3 -9.817 -3.354 10.365 1.00 0.00 H new ATOM 0 HB2 PRO A 3 -11.632 -4.216 8.461 1.00 0.00 H new ATOM 0 HB3 PRO A 3 -11.453 -4.970 10.033 1.00 0.00 H new ATOM 0 HG2 PRO A 3 -13.645 -3.254 9.039 1.00 0.00 H new ATOM 0 HG3 PRO A 3 -13.639 -4.342 10.413 1.00 0.00 H new ATOM 0 HD2 PRO A 3 -13.436 -1.483 10.487 1.00 0.00 H new ATOM 0 HD3 PRO A 3 -13.316 -2.579 11.849 1.00 0.00 H new ATOM 35 N THR A 4 -11.229 -1.599 8.005 1.00 0.00 N ATOM 36 CA THR A 4 -10.929 -0.767 6.852 1.00 0.00 C ATOM 37 C THR A 4 -10.002 -1.507 5.887 1.00 0.00 C ATOM 38 O THR A 4 -9.772 -2.706 6.037 1.00 0.00 O ATOM 39 CB THR A 4 -10.347 0.554 7.362 1.00 0.00 C ATOM 40 OG1 THR A 4 -8.958 0.280 7.528 1.00 0.00 O ATOM 41 CG2 THR A 4 -10.829 0.901 8.770 1.00 0.00 C ATOM 0 H THR A 4 -12.222 -1.778 8.155 1.00 0.00 H new ATOM 0 HA THR A 4 -11.829 -0.543 6.280 1.00 0.00 H new ATOM 0 HB THR A 4 -10.618 1.358 6.678 1.00 0.00 H new ATOM 0 HG1 THR A 4 -8.825 -0.259 8.336 1.00 0.00 H new ATOM 0 HG21 THR A 4 -10.387 1.847 9.083 1.00 0.00 H new ATOM 0 HG22 THR A 4 -11.915 0.991 8.771 1.00 0.00 H new ATOM 0 HG23 THR A 4 -10.529 0.114 9.462 1.00 0.00 H new ATOM 49 N ALA A 5 -9.495 -0.761 4.916 1.00 0.00 N ATOM 50 CA ALA A 5 -8.597 -1.335 3.926 1.00 0.00 C ATOM 51 C ALA A 5 -7.411 -1.991 4.634 1.00 0.00 C ATOM 52 O ALA A 5 -6.515 -1.302 5.119 1.00 0.00 O ATOM 53 CB ALA A 5 -8.158 -0.244 2.945 1.00 0.00 C ATOM 0 H ALA A 5 -9.688 0.233 4.793 1.00 0.00 H new ATOM 0 HA ALA A 5 -9.105 -2.109 3.351 1.00 0.00 H new ATOM 0 HB1 ALA A 5 -7.485 -0.672 2.202 1.00 0.00 H new ATOM 0 HB2 ALA A 5 -9.034 0.170 2.445 1.00 0.00 H new ATOM 0 HB3 ALA A 5 -7.642 0.548 3.488 1.00 0.00 H new ATOM 59 N THR A 6 -7.447 -3.314 4.674 1.00 0.00 N ATOM 60 CA THR A 6 -6.387 -4.071 5.317 1.00 0.00 C ATOM 61 C THR A 6 -6.057 -5.325 4.504 1.00 0.00 C ATOM 62 O THR A 6 -6.932 -5.892 3.851 1.00 0.00 O ATOM 63 CB THR A 6 -6.825 -4.375 6.751 1.00 0.00 C ATOM 64 OG1 THR A 6 -8.234 -4.559 6.653 1.00 0.00 O ATOM 65 CG2 THR A 6 -6.671 -3.168 7.678 1.00 0.00 C ATOM 0 H THR A 6 -8.193 -3.881 4.272 1.00 0.00 H new ATOM 0 HA THR A 6 -5.462 -3.496 5.359 1.00 0.00 H new ATOM 0 HB THR A 6 -6.240 -5.209 7.140 1.00 0.00 H new ATOM 0 HG1 THR A 6 -8.691 -3.730 6.909 1.00 0.00 H new ATOM 0 HG21 THR A 6 -6.996 -3.437 8.683 1.00 0.00 H new ATOM 0 HG22 THR A 6 -5.626 -2.861 7.704 1.00 0.00 H new ATOM 0 HG23 THR A 6 -7.282 -2.345 7.308 1.00 0.00 H new ATOM 73 N VAL A 7 -4.795 -5.721 4.572 1.00 0.00 N ATOM 74 CA VAL A 7 -4.341 -6.897 3.849 1.00 0.00 C ATOM 75 C VAL A 7 -4.718 -8.153 4.639 1.00 0.00 C ATOM 76 O VAL A 7 -4.393 -8.270 5.819 1.00 0.00 O ATOM 77 CB VAL A 7 -2.839 -6.795 3.573 1.00 0.00 C ATOM 78 CG1 VAL A 7 -2.225 -8.180 3.357 1.00 0.00 C ATOM 79 CG2 VAL A 7 -2.563 -5.879 2.380 1.00 0.00 C ATOM 0 H VAL A 7 -4.073 -5.249 5.116 1.00 0.00 H new ATOM 0 HA VAL A 7 -4.833 -6.962 2.879 1.00 0.00 H new ATOM 0 HB VAL A 7 -2.366 -6.354 4.450 1.00 0.00 H new ATOM 0 HG11 VAL A 7 -1.157 -8.078 3.163 1.00 0.00 H new ATOM 0 HG12 VAL A 7 -2.375 -8.788 4.249 1.00 0.00 H new ATOM 0 HG13 VAL A 7 -2.704 -8.662 2.505 1.00 0.00 H new ATOM 0 HG21 VAL A 7 -1.489 -5.823 2.205 1.00 0.00 H new ATOM 0 HG22 VAL A 7 -3.055 -6.278 1.493 1.00 0.00 H new ATOM 0 HG23 VAL A 7 -2.948 -4.881 2.590 1.00 0.00 H new ATOM 89 N THR A 8 -5.402 -9.061 3.955 1.00 0.00 N ATOM 90 CA THR A 8 -5.828 -10.303 4.577 1.00 0.00 C ATOM 91 C THR A 8 -4.829 -10.728 5.655 1.00 0.00 C ATOM 92 O THR A 8 -5.128 -10.656 6.847 1.00 0.00 O ATOM 93 CB THR A 8 -6.014 -11.345 3.474 1.00 0.00 C ATOM 94 OG1 THR A 8 -7.387 -11.233 3.116 1.00 0.00 O ATOM 95 CG2 THR A 8 -5.877 -12.778 3.993 1.00 0.00 C ATOM 0 H THR A 8 -5.671 -8.960 2.976 1.00 0.00 H new ATOM 0 HA THR A 8 -6.781 -10.182 5.092 1.00 0.00 H new ATOM 0 HB THR A 8 -5.280 -11.174 2.686 1.00 0.00 H new ATOM 0 HG1 THR A 8 -7.936 -11.717 3.768 1.00 0.00 H new ATOM 0 HG21 THR A 8 -6.018 -13.478 3.170 1.00 0.00 H new ATOM 0 HG22 THR A 8 -4.884 -12.916 4.421 1.00 0.00 H new ATOM 0 HG23 THR A 8 -6.631 -12.961 4.758 1.00 0.00 H new ATOM 103 N PRO A 9 -3.633 -11.174 5.186 1.00 0.00 N ATOM 104 CA PRO A 9 -2.588 -11.613 6.097 1.00 0.00 C ATOM 105 C PRO A 9 -1.916 -10.417 6.776 1.00 0.00 C ATOM 106 O PRO A 9 -2.460 -9.314 6.780 1.00 0.00 O ATOM 107 CB PRO A 9 -1.632 -12.424 5.238 1.00 0.00 C ATOM 108 CG PRO A 9 -1.923 -12.024 3.801 1.00 0.00 C ATOM 109 CD PRO A 9 -3.244 -11.274 3.783 1.00 0.00 C ATOM 0 HA PRO A 9 -2.972 -12.217 6.919 1.00 0.00 H new ATOM 0 HB2 PRO A 9 -0.595 -12.212 5.500 1.00 0.00 H new ATOM 0 HB3 PRO A 9 -1.786 -13.493 5.385 1.00 0.00 H new ATOM 0 HG2 PRO A 9 -1.122 -11.396 3.410 1.00 0.00 H new ATOM 0 HG3 PRO A 9 -1.976 -12.906 3.163 1.00 0.00 H new ATOM 0 HD2 PRO A 9 -3.133 -10.288 3.332 1.00 0.00 H new ATOM 0 HD3 PRO A 9 -3.995 -11.809 3.201 1.00 0.00 H new ATOM 117 N SER A 10 -0.743 -10.676 7.332 1.00 0.00 N ATOM 118 CA SER A 10 0.008 -9.638 8.014 1.00 0.00 C ATOM 119 C SER A 10 1.468 -9.660 7.554 1.00 0.00 C ATOM 120 O SER A 10 2.047 -8.617 7.256 1.00 0.00 O ATOM 121 CB SER A 10 -0.071 -9.801 9.533 1.00 0.00 C ATOM 122 OG SER A 10 0.441 -11.059 9.961 1.00 0.00 O ATOM 0 H SER A 10 -0.294 -11.592 7.324 1.00 0.00 H new ATOM 0 HA SER A 10 -0.435 -8.676 7.758 1.00 0.00 H new ATOM 0 HB2 SER A 10 0.489 -8.999 10.013 1.00 0.00 H new ATOM 0 HB3 SER A 10 -1.108 -9.703 9.855 1.00 0.00 H new ATOM 0 HG SER A 10 -0.205 -11.488 10.560 1.00 0.00 H new ATOM 128 N SER A 11 2.023 -10.862 7.511 1.00 0.00 N ATOM 129 CA SER A 11 3.402 -11.036 7.092 1.00 0.00 C ATOM 130 C SER A 11 3.536 -10.749 5.595 1.00 0.00 C ATOM 131 O SER A 11 3.903 -11.632 4.820 1.00 0.00 O ATOM 132 CB SER A 11 3.899 -12.450 7.408 1.00 0.00 C ATOM 133 OG SER A 11 4.380 -12.561 8.744 1.00 0.00 O ATOM 0 H SER A 11 1.541 -11.726 7.760 1.00 0.00 H new ATOM 0 HA SER A 11 4.019 -10.329 7.647 1.00 0.00 H new ATOM 0 HB2 SER A 11 3.088 -13.162 7.254 1.00 0.00 H new ATOM 0 HB3 SER A 11 4.695 -12.718 6.713 1.00 0.00 H new ATOM 0 HG SER A 11 4.686 -13.478 8.906 1.00 0.00 H new ATOM 139 N GLY A 12 3.233 -9.511 5.235 1.00 0.00 N ATOM 140 CA GLY A 12 3.313 -9.096 3.844 1.00 0.00 C ATOM 141 C GLY A 12 4.726 -9.302 3.293 1.00 0.00 C ATOM 142 O GLY A 12 4.941 -9.224 2.084 1.00 0.00 O ATOM 0 H GLY A 12 2.932 -8.782 5.881 1.00 0.00 H new ATOM 0 HA2 GLY A 12 2.600 -9.666 3.249 1.00 0.00 H new ATOM 0 HA3 GLY A 12 3.034 -8.046 3.757 1.00 0.00 H new ATOM 146 N LEU A 13 5.651 -9.559 4.204 1.00 0.00 N ATOM 147 CA LEU A 13 7.038 -9.774 3.825 1.00 0.00 C ATOM 148 C LEU A 13 7.153 -11.099 3.067 1.00 0.00 C ATOM 149 O LEU A 13 7.882 -11.996 3.487 1.00 0.00 O ATOM 150 CB LEU A 13 7.949 -9.686 5.049 1.00 0.00 C ATOM 151 CG LEU A 13 7.632 -10.650 6.193 1.00 0.00 C ATOM 152 CD1 LEU A 13 8.407 -11.960 6.037 1.00 0.00 C ATOM 153 CD2 LEU A 13 7.884 -9.992 7.551 1.00 0.00 C ATOM 0 H LEU A 13 5.468 -9.624 5.205 1.00 0.00 H new ATOM 0 HA LEU A 13 7.375 -8.987 3.150 1.00 0.00 H new ATOM 0 HB2 LEU A 13 8.975 -9.862 4.726 1.00 0.00 H new ATOM 0 HB3 LEU A 13 7.906 -8.668 5.436 1.00 0.00 H new ATOM 0 HG LEU A 13 6.571 -10.897 6.148 1.00 0.00 H new ATOM 0 HD11 LEU A 13 8.163 -12.628 6.864 1.00 0.00 H new ATOM 0 HD12 LEU A 13 8.134 -12.435 5.095 1.00 0.00 H new ATOM 0 HD13 LEU A 13 9.477 -11.752 6.042 1.00 0.00 H new ATOM 0 HD21 LEU A 13 7.651 -10.699 8.347 1.00 0.00 H new ATOM 0 HD22 LEU A 13 8.931 -9.696 7.623 1.00 0.00 H new ATOM 0 HD23 LEU A 13 7.250 -9.111 7.651 1.00 0.00 H new ATOM 165 N SER A 14 6.422 -11.179 1.966 1.00 0.00 N ATOM 166 CA SER A 14 6.432 -12.380 1.146 1.00 0.00 C ATOM 167 C SER A 14 6.644 -12.007 -0.323 1.00 0.00 C ATOM 168 O SER A 14 5.877 -11.228 -0.886 1.00 0.00 O ATOM 169 CB SER A 14 5.134 -13.172 1.311 1.00 0.00 C ATOM 170 OG SER A 14 5.380 -14.547 1.592 1.00 0.00 O ATOM 0 H SER A 14 5.818 -10.432 1.622 1.00 0.00 H new ATOM 0 HA SER A 14 7.255 -13.013 1.477 1.00 0.00 H new ATOM 0 HB2 SER A 14 4.544 -12.737 2.118 1.00 0.00 H new ATOM 0 HB3 SER A 14 4.540 -13.089 0.401 1.00 0.00 H new ATOM 0 HG SER A 14 4.527 -15.018 1.692 1.00 0.00 H new ATOM 176 N ASP A 15 7.690 -12.582 -0.902 1.00 0.00 N ATOM 177 CA ASP A 15 8.012 -12.321 -2.293 1.00 0.00 C ATOM 178 C ASP A 15 6.718 -12.094 -3.079 1.00 0.00 C ATOM 179 O ASP A 15 6.101 -13.046 -3.554 1.00 0.00 O ATOM 180 CB ASP A 15 8.744 -13.510 -2.921 1.00 0.00 C ATOM 181 CG ASP A 15 10.255 -13.538 -2.682 1.00 0.00 C ATOM 182 OD1 ASP A 15 10.671 -13.025 -1.621 1.00 0.00 O ATOM 183 OD2 ASP A 15 10.959 -14.072 -3.565 1.00 0.00 O ATOM 0 H ASP A 15 8.324 -13.227 -0.431 1.00 0.00 H new ATOM 0 HA ASP A 15 8.654 -11.441 -2.331 1.00 0.00 H new ATOM 0 HB2 ASP A 15 8.312 -14.431 -2.530 1.00 0.00 H new ATOM 0 HB3 ASP A 15 8.561 -13.504 -3.996 1.00 0.00 H new ATOM 189 N GLY A 16 6.347 -10.826 -3.189 1.00 0.00 N ATOM 190 CA GLY A 16 5.137 -10.462 -3.910 1.00 0.00 C ATOM 191 C GLY A 16 3.970 -11.374 -3.519 1.00 0.00 C ATOM 192 O GLY A 16 3.518 -12.187 -4.323 1.00 0.00 O ATOM 0 H GLY A 16 6.861 -10.039 -2.792 1.00 0.00 H new ATOM 0 HA2 GLY A 16 4.880 -9.425 -3.696 1.00 0.00 H new ATOM 0 HA3 GLY A 16 5.314 -10.532 -4.983 1.00 0.00 H new ATOM 196 N THR A 17 3.520 -11.208 -2.284 1.00 0.00 N ATOM 197 CA THR A 17 2.414 -12.006 -1.778 1.00 0.00 C ATOM 198 C THR A 17 1.083 -11.467 -2.303 1.00 0.00 C ATOM 199 O THR A 17 0.778 -10.286 -2.136 1.00 0.00 O ATOM 200 CB THR A 17 2.506 -12.022 -0.250 1.00 0.00 C ATOM 201 OG1 THR A 17 2.449 -13.405 0.086 1.00 0.00 O ATOM 202 CG2 THR A 17 1.264 -11.425 0.415 1.00 0.00 C ATOM 0 H THR A 17 3.900 -10.534 -1.619 1.00 0.00 H new ATOM 0 HA THR A 17 2.472 -13.035 -2.133 1.00 0.00 H new ATOM 0 HB THR A 17 3.390 -11.469 0.068 1.00 0.00 H new ATOM 0 HG1 THR A 17 2.343 -13.502 1.055 1.00 0.00 H new ATOM 0 HG21 THR A 17 1.379 -11.460 1.498 1.00 0.00 H new ATOM 0 HG22 THR A 17 1.143 -10.390 0.096 1.00 0.00 H new ATOM 0 HG23 THR A 17 0.384 -12.000 0.125 1.00 0.00 H new ATOM 210 N VAL A 18 0.326 -12.358 -2.926 1.00 0.00 N ATOM 211 CA VAL A 18 -0.966 -11.986 -3.476 1.00 0.00 C ATOM 212 C VAL A 18 -2.052 -12.221 -2.423 1.00 0.00 C ATOM 213 O VAL A 18 -2.274 -13.353 -1.999 1.00 0.00 O ATOM 214 CB VAL A 18 -1.222 -12.750 -4.776 1.00 0.00 C ATOM 215 CG1 VAL A 18 -2.036 -11.904 -5.758 1.00 0.00 C ATOM 216 CG2 VAL A 18 0.095 -13.209 -5.409 1.00 0.00 C ATOM 0 H VAL A 18 0.582 -13.336 -3.062 1.00 0.00 H new ATOM 0 HA VAL A 18 -0.981 -10.926 -3.729 1.00 0.00 H new ATOM 0 HB VAL A 18 -1.806 -13.638 -4.534 1.00 0.00 H new ATOM 0 HG11 VAL A 18 -2.204 -12.471 -6.674 1.00 0.00 H new ATOM 0 HG12 VAL A 18 -2.995 -11.648 -5.309 1.00 0.00 H new ATOM 0 HG13 VAL A 18 -1.489 -10.991 -5.992 1.00 0.00 H new ATOM 0 HG21 VAL A 18 -0.114 -13.750 -6.332 1.00 0.00 H new ATOM 0 HG22 VAL A 18 0.715 -12.340 -5.630 1.00 0.00 H new ATOM 0 HG23 VAL A 18 0.623 -13.864 -4.716 1.00 0.00 H new ATOM 226 N VAL A 19 -2.695 -11.132 -2.029 1.00 0.00 N ATOM 227 CA VAL A 19 -3.751 -11.206 -1.032 1.00 0.00 C ATOM 228 C VAL A 19 -4.889 -10.266 -1.433 1.00 0.00 C ATOM 229 O VAL A 19 -4.842 -9.642 -2.493 1.00 0.00 O ATOM 230 CB VAL A 19 -3.183 -10.900 0.355 1.00 0.00 C ATOM 231 CG1 VAL A 19 -2.341 -12.068 0.872 1.00 0.00 C ATOM 232 CG2 VAL A 19 -2.373 -9.602 0.341 1.00 0.00 C ATOM 0 H VAL A 19 -2.506 -10.194 -2.381 1.00 0.00 H new ATOM 0 HA VAL A 19 -4.163 -12.214 -0.984 1.00 0.00 H new ATOM 0 HB VAL A 19 -4.021 -10.764 1.039 1.00 0.00 H new ATOM 0 HG11 VAL A 19 -1.949 -11.825 1.860 1.00 0.00 H new ATOM 0 HG12 VAL A 19 -2.961 -12.962 0.938 1.00 0.00 H new ATOM 0 HG13 VAL A 19 -1.512 -12.250 0.188 1.00 0.00 H new ATOM 0 HG21 VAL A 19 -1.980 -9.407 1.339 1.00 0.00 H new ATOM 0 HG22 VAL A 19 -1.546 -9.697 -0.362 1.00 0.00 H new ATOM 0 HG23 VAL A 19 -3.015 -8.776 0.036 1.00 0.00 H new ATOM 242 N LYS A 20 -5.887 -10.193 -0.564 1.00 0.00 N ATOM 243 CA LYS A 20 -7.036 -9.339 -0.813 1.00 0.00 C ATOM 244 C LYS A 20 -7.114 -8.264 0.271 1.00 0.00 C ATOM 245 O LYS A 20 -7.036 -8.570 1.461 1.00 0.00 O ATOM 246 CB LYS A 20 -8.310 -10.178 -0.939 1.00 0.00 C ATOM 247 CG LYS A 20 -8.625 -10.893 0.377 1.00 0.00 C ATOM 248 CD LYS A 20 -10.044 -11.466 0.363 1.00 0.00 C ATOM 249 CE LYS A 20 -10.333 -12.248 1.645 1.00 0.00 C ATOM 250 NZ LYS A 20 -11.766 -12.153 2.002 1.00 0.00 N ATOM 0 H LYS A 20 -5.923 -10.712 0.314 1.00 0.00 H new ATOM 0 HA LYS A 20 -6.925 -8.822 -1.766 1.00 0.00 H new ATOM 0 HB2 LYS A 20 -9.146 -9.537 -1.219 1.00 0.00 H new ATOM 0 HB3 LYS A 20 -8.190 -10.911 -1.736 1.00 0.00 H new ATOM 0 HG2 LYS A 20 -7.906 -11.696 0.540 1.00 0.00 H new ATOM 0 HG3 LYS A 20 -8.518 -10.196 1.208 1.00 0.00 H new ATOM 0 HD2 LYS A 20 -10.766 -10.656 0.256 1.00 0.00 H new ATOM 0 HD3 LYS A 20 -10.168 -12.119 -0.501 1.00 0.00 H new ATOM 0 HE2 LYS A 20 -10.055 -13.293 1.510 1.00 0.00 H new ATOM 0 HE3 LYS A 20 -9.723 -11.859 2.460 1.00 0.00 H new ATOM 0 HZ1 LYS A 20 -11.943 -12.690 2.875 1.00 0.00 H new ATOM 0 HZ2 LYS A 20 -12.021 -11.156 2.151 1.00 0.00 H new ATOM 0 HZ3 LYS A 20 -12.343 -12.546 1.231 1.00 0.00 H new ATOM 264 N VAL A 21 -7.262 -7.025 -0.175 1.00 0.00 N ATOM 265 CA VAL A 21 -7.349 -5.904 0.741 1.00 0.00 C ATOM 266 C VAL A 21 -8.816 -5.501 0.910 1.00 0.00 C ATOM 267 O VAL A 21 -9.389 -4.853 0.037 1.00 0.00 O ATOM 268 CB VAL A 21 -6.467 -4.754 0.249 1.00 0.00 C ATOM 269 CG1 VAL A 21 -6.699 -3.491 1.079 1.00 0.00 C ATOM 270 CG2 VAL A 21 -4.991 -5.154 0.259 1.00 0.00 C ATOM 0 H VAL A 21 -7.324 -6.774 -1.162 1.00 0.00 H new ATOM 0 HA VAL A 21 -6.973 -6.186 1.724 1.00 0.00 H new ATOM 0 HB VAL A 21 -6.747 -4.533 -0.781 1.00 0.00 H new ATOM 0 HG11 VAL A 21 -6.060 -2.690 0.708 1.00 0.00 H new ATOM 0 HG12 VAL A 21 -7.743 -3.189 0.998 1.00 0.00 H new ATOM 0 HG13 VAL A 21 -6.459 -3.693 2.123 1.00 0.00 H new ATOM 0 HG21 VAL A 21 -4.386 -4.320 -0.095 1.00 0.00 H new ATOM 0 HG22 VAL A 21 -4.692 -5.415 1.274 1.00 0.00 H new ATOM 0 HG23 VAL A 21 -4.842 -6.013 -0.395 1.00 0.00 H new ATOM 280 N ALA A 22 -9.380 -5.900 2.041 1.00 0.00 N ATOM 281 CA ALA A 22 -10.768 -5.591 2.336 1.00 0.00 C ATOM 282 C ALA A 22 -10.845 -4.232 3.035 1.00 0.00 C ATOM 283 O ALA A 22 -10.201 -4.023 4.063 1.00 0.00 O ATOM 284 CB ALA A 22 -11.376 -6.715 3.176 1.00 0.00 C ATOM 0 H ALA A 22 -8.900 -6.435 2.764 1.00 0.00 H new ATOM 0 HA ALA A 22 -11.349 -5.523 1.417 1.00 0.00 H new ATOM 0 HB1 ALA A 22 -12.418 -6.482 3.397 1.00 0.00 H new ATOM 0 HB2 ALA A 22 -11.324 -7.652 2.622 1.00 0.00 H new ATOM 0 HB3 ALA A 22 -10.821 -6.813 4.109 1.00 0.00 H new ATOM 290 N GLY A 23 -11.636 -3.347 2.451 1.00 0.00 N ATOM 291 CA GLY A 23 -11.806 -2.013 3.006 1.00 0.00 C ATOM 292 C GLY A 23 -13.216 -1.830 3.573 1.00 0.00 C ATOM 293 O GLY A 23 -14.008 -1.057 3.038 1.00 0.00 O ATOM 0 H GLY A 23 -12.167 -3.525 1.599 1.00 0.00 H new ATOM 0 HA2 GLY A 23 -11.070 -1.846 3.792 1.00 0.00 H new ATOM 0 HA3 GLY A 23 -11.622 -1.267 2.233 1.00 0.00 H new ATOM 297 N ALA A 24 -13.487 -2.556 4.648 1.00 0.00 N ATOM 298 CA ALA A 24 -14.786 -2.484 5.292 1.00 0.00 C ATOM 299 C ALA A 24 -14.892 -1.169 6.068 1.00 0.00 C ATOM 300 O ALA A 24 -13.987 -0.813 6.820 1.00 0.00 O ATOM 301 CB ALA A 24 -14.980 -3.707 6.189 1.00 0.00 C ATOM 0 H ALA A 24 -12.828 -3.197 5.089 1.00 0.00 H new ATOM 0 HA ALA A 24 -15.584 -2.495 4.550 1.00 0.00 H new ATOM 0 HB1 ALA A 24 -15.955 -3.653 6.672 1.00 0.00 H new ATOM 0 HB2 ALA A 24 -14.924 -4.613 5.586 1.00 0.00 H new ATOM 0 HB3 ALA A 24 -14.199 -3.728 6.949 1.00 0.00 H new ATOM 307 N GLY A 25 -16.008 -0.483 5.858 1.00 0.00 N ATOM 308 CA GLY A 25 -16.244 0.784 6.528 1.00 0.00 C ATOM 309 C GLY A 25 -15.330 1.877 5.974 1.00 0.00 C ATOM 310 O GLY A 25 -15.133 2.910 6.611 1.00 0.00 O ATOM 0 H GLY A 25 -16.757 -0.782 5.234 1.00 0.00 H new ATOM 0 HA2 GLY A 25 -17.286 1.078 6.401 1.00 0.00 H new ATOM 0 HA3 GLY A 25 -16.073 0.670 7.599 1.00 0.00 H new ATOM 314 N LEU A 26 -14.794 1.612 4.789 1.00 0.00 N ATOM 315 CA LEU A 26 -13.905 2.561 4.142 1.00 0.00 C ATOM 316 C LEU A 26 -14.725 3.727 3.591 1.00 0.00 C ATOM 317 O LEU A 26 -15.723 4.126 4.186 1.00 0.00 O ATOM 318 CB LEU A 26 -13.048 1.856 3.087 1.00 0.00 C ATOM 319 CG LEU A 26 -11.743 2.559 2.704 1.00 0.00 C ATOM 320 CD1 LEU A 26 -10.563 1.987 3.490 1.00 0.00 C ATOM 321 CD2 LEU A 26 -11.510 2.499 1.193 1.00 0.00 C ATOM 0 H LEU A 26 -14.959 0.754 4.262 1.00 0.00 H new ATOM 0 HA LEU A 26 -13.202 2.980 4.863 1.00 0.00 H new ATOM 0 HB2 LEU A 26 -12.806 0.858 3.452 1.00 0.00 H new ATOM 0 HB3 LEU A 26 -13.648 1.730 2.186 1.00 0.00 H new ATOM 0 HG LEU A 26 -11.830 3.612 2.973 1.00 0.00 H new ATOM 0 HD11 LEU A 26 -9.648 2.503 3.200 1.00 0.00 H new ATOM 0 HD12 LEU A 26 -10.735 2.126 4.557 1.00 0.00 H new ATOM 0 HD13 LEU A 26 -10.464 0.923 3.274 1.00 0.00 H new ATOM 0 HD21 LEU A 26 -10.576 3.006 0.948 1.00 0.00 H new ATOM 0 HD22 LEU A 26 -11.452 1.458 0.875 1.00 0.00 H new ATOM 0 HD23 LEU A 26 -12.335 2.990 0.678 1.00 0.00 H new ATOM 333 N GLN A 27 -14.272 4.243 2.456 1.00 0.00 N ATOM 334 CA GLN A 27 -14.952 5.358 1.818 1.00 0.00 C ATOM 335 C GLN A 27 -16.015 4.841 0.844 1.00 0.00 C ATOM 336 O GLN A 27 -15.798 4.832 -0.367 1.00 0.00 O ATOM 337 CB GLN A 27 -13.955 6.274 1.105 1.00 0.00 C ATOM 338 CG GLN A 27 -13.601 7.480 1.977 1.00 0.00 C ATOM 339 CD GLN A 27 -14.703 8.541 1.921 1.00 0.00 C ATOM 340 OE1 GLN A 27 -14.544 9.434 0.949 1.00 0.00 O flip ATOM 341 NE2 GLN A 27 -15.634 8.546 2.707 1.00 0.00 N flip ATOM 0 H GLN A 27 -13.444 3.910 1.963 1.00 0.00 H new ATOM 0 HA GLN A 27 -15.447 5.947 2.590 1.00 0.00 H new ATOM 0 HB2 GLN A 27 -13.050 5.716 0.865 1.00 0.00 H new ATOM 0 HB3 GLN A 27 -14.379 6.615 0.161 1.00 0.00 H new ATOM 0 HG2 GLN A 27 -13.454 7.157 3.008 1.00 0.00 H new ATOM 0 HG3 GLN A 27 -12.658 7.912 1.641 1.00 0.00 H new ATOM 0 HE21 GLN A 27 -15.695 7.829 3.430 1.00 0.00 H new ATOM 0 HE22 GLN A 27 -16.353 9.267 2.642 1.00 0.00 H new ATOM 350 N ALA A 28 -17.139 4.429 1.410 1.00 0.00 N ATOM 351 CA ALA A 28 -18.234 3.913 0.607 1.00 0.00 C ATOM 352 C ALA A 28 -18.689 4.989 -0.380 1.00 0.00 C ATOM 353 O ALA A 28 -18.869 6.146 -0.002 1.00 0.00 O ATOM 354 CB ALA A 28 -19.368 3.450 1.525 1.00 0.00 C ATOM 0 H ALA A 28 -17.315 4.442 2.415 1.00 0.00 H new ATOM 0 HA ALA A 28 -17.909 3.049 0.028 1.00 0.00 H new ATOM 0 HB1 ALA A 28 -20.189 3.063 0.922 1.00 0.00 H new ATOM 0 HB2 ALA A 28 -19.003 2.665 2.187 1.00 0.00 H new ATOM 0 HB3 ALA A 28 -19.721 4.292 2.121 1.00 0.00 H new ATOM 360 N GLY A 29 -18.859 4.571 -1.627 1.00 0.00 N ATOM 361 CA GLY A 29 -19.288 5.487 -2.670 1.00 0.00 C ATOM 362 C GLY A 29 -18.087 6.143 -3.352 1.00 0.00 C ATOM 363 O GLY A 29 -18.167 6.538 -4.514 1.00 0.00 O ATOM 0 H GLY A 29 -18.707 3.611 -1.937 1.00 0.00 H new ATOM 0 HA2 GLY A 29 -19.882 4.949 -3.409 1.00 0.00 H new ATOM 0 HA3 GLY A 29 -19.932 6.255 -2.242 1.00 0.00 H new ATOM 367 N THR A 30 -17.000 6.240 -2.599 1.00 0.00 N ATOM 368 CA THR A 30 -15.783 6.842 -3.116 1.00 0.00 C ATOM 369 C THR A 30 -14.901 5.781 -3.775 1.00 0.00 C ATOM 370 O THR A 30 -15.266 4.607 -3.824 1.00 0.00 O ATOM 371 CB THR A 30 -15.093 7.576 -1.963 1.00 0.00 C ATOM 372 OG1 THR A 30 -16.027 7.495 -0.891 1.00 0.00 O ATOM 373 CG2 THR A 30 -14.956 9.078 -2.226 1.00 0.00 C ATOM 0 H THR A 30 -16.937 5.912 -1.635 1.00 0.00 H new ATOM 0 HA THR A 30 -16.002 7.568 -3.899 1.00 0.00 H new ATOM 0 HB THR A 30 -14.106 7.144 -1.796 1.00 0.00 H new ATOM 0 HG1 THR A 30 -16.283 8.399 -0.611 1.00 0.00 H new ATOM 0 HG21 THR A 30 -14.461 9.552 -1.379 1.00 0.00 H new ATOM 0 HG22 THR A 30 -14.365 9.237 -3.128 1.00 0.00 H new ATOM 0 HG23 THR A 30 -15.945 9.516 -2.359 1.00 0.00 H new ATOM 381 N ALA A 31 -13.755 6.229 -4.265 1.00 0.00 N ATOM 382 CA ALA A 31 -12.816 5.333 -4.918 1.00 0.00 C ATOM 383 C ALA A 31 -11.402 5.903 -4.795 1.00 0.00 C ATOM 384 O ALA A 31 -11.217 7.119 -4.801 1.00 0.00 O ATOM 385 CB ALA A 31 -13.238 5.127 -6.375 1.00 0.00 C ATOM 0 H ALA A 31 -13.455 7.203 -4.223 1.00 0.00 H new ATOM 0 HA ALA A 31 -12.819 4.356 -4.436 1.00 0.00 H new ATOM 0 HB1 ALA A 31 -12.534 4.455 -6.866 1.00 0.00 H new ATOM 0 HB2 ALA A 31 -14.237 4.692 -6.406 1.00 0.00 H new ATOM 0 HB3 ALA A 31 -13.244 6.087 -6.891 1.00 0.00 H new ATOM 391 N TYR A 32 -10.441 4.997 -4.685 1.00 0.00 N ATOM 392 CA TYR A 32 -9.048 5.394 -4.561 1.00 0.00 C ATOM 393 C TYR A 32 -8.122 4.346 -5.179 1.00 0.00 C ATOM 394 O TYR A 32 -8.582 3.316 -5.668 1.00 0.00 O ATOM 395 CB TYR A 32 -8.769 5.484 -3.059 1.00 0.00 C ATOM 396 CG TYR A 32 -9.479 6.645 -2.361 1.00 0.00 C ATOM 397 CD1 TYR A 32 -9.609 7.859 -3.003 1.00 0.00 C ATOM 398 CD2 TYR A 32 -9.992 6.477 -1.091 1.00 0.00 C ATOM 399 CE1 TYR A 32 -10.279 8.954 -2.345 1.00 0.00 C ATOM 400 CE2 TYR A 32 -10.659 7.570 -0.434 1.00 0.00 C ATOM 401 CZ TYR A 32 -10.771 8.752 -1.093 1.00 0.00 C ATOM 402 OH TYR A 32 -11.402 9.785 -0.472 1.00 0.00 O ATOM 0 H TYR A 32 -10.599 3.989 -4.679 1.00 0.00 H new ATOM 0 HA TYR A 32 -8.869 6.337 -5.077 1.00 0.00 H new ATOM 0 HB2 TYR A 32 -9.073 4.550 -2.587 1.00 0.00 H new ATOM 0 HB3 TYR A 32 -7.695 5.584 -2.905 1.00 0.00 H new ATOM 0 HD1 TYR A 32 -9.209 7.990 -3.998 1.00 0.00 H new ATOM 0 HD2 TYR A 32 -9.893 5.525 -0.590 1.00 0.00 H new ATOM 0 HE1 TYR A 32 -10.387 9.911 -2.834 1.00 0.00 H new ATOM 0 HE2 TYR A 32 -11.062 7.453 0.561 1.00 0.00 H new ATOM 0 HH TYR A 32 -11.703 9.498 0.415 1.00 0.00 H new ATOM 412 N ASP A 33 -6.832 4.645 -5.137 1.00 0.00 N ATOM 413 CA ASP A 33 -5.837 3.740 -5.688 1.00 0.00 C ATOM 414 C ASP A 33 -5.102 3.040 -4.544 1.00 0.00 C ATOM 415 O ASP A 33 -4.454 3.692 -3.727 1.00 0.00 O ATOM 416 CB ASP A 33 -4.801 4.501 -6.518 1.00 0.00 C ATOM 417 CG ASP A 33 -4.033 3.650 -7.532 1.00 0.00 C ATOM 418 OD1 ASP A 33 -2.807 3.874 -7.646 1.00 0.00 O ATOM 419 OD2 ASP A 33 -4.685 2.795 -8.166 1.00 0.00 O ATOM 0 H ASP A 33 -6.453 5.500 -4.730 1.00 0.00 H new ATOM 0 HA ASP A 33 -6.352 3.020 -6.324 1.00 0.00 H new ATOM 0 HB2 ASP A 33 -5.305 5.307 -7.051 1.00 0.00 H new ATOM 0 HB3 ASP A 33 -4.085 4.966 -5.840 1.00 0.00 H new ATOM 425 N VAL A 34 -5.229 1.722 -4.523 1.00 0.00 N ATOM 426 CA VAL A 34 -4.583 0.924 -3.492 1.00 0.00 C ATOM 427 C VAL A 34 -3.117 0.705 -3.865 1.00 0.00 C ATOM 428 O VAL A 34 -2.782 0.598 -5.042 1.00 0.00 O ATOM 429 CB VAL A 34 -5.352 -0.384 -3.287 1.00 0.00 C ATOM 430 CG1 VAL A 34 -4.394 -1.536 -2.968 1.00 0.00 C ATOM 431 CG2 VAL A 34 -6.410 -0.231 -2.193 1.00 0.00 C ATOM 0 H VAL A 34 -5.769 1.186 -5.202 1.00 0.00 H new ATOM 0 HA VAL A 34 -4.598 1.448 -2.536 1.00 0.00 H new ATOM 0 HB VAL A 34 -5.866 -0.623 -4.218 1.00 0.00 H new ATOM 0 HG11 VAL A 34 -4.964 -2.454 -2.827 1.00 0.00 H new ATOM 0 HG12 VAL A 34 -3.694 -1.667 -3.793 1.00 0.00 H new ATOM 0 HG13 VAL A 34 -3.841 -1.308 -2.057 1.00 0.00 H new ATOM 0 HG21 VAL A 34 -6.942 -1.174 -2.067 1.00 0.00 H new ATOM 0 HG22 VAL A 34 -5.926 0.041 -1.255 1.00 0.00 H new ATOM 0 HG23 VAL A 34 -7.116 0.549 -2.477 1.00 0.00 H new ATOM 441 N GLY A 35 -2.281 0.645 -2.839 1.00 0.00 N ATOM 442 CA GLY A 35 -0.857 0.441 -3.044 1.00 0.00 C ATOM 443 C GLY A 35 -0.103 0.462 -1.713 1.00 0.00 C ATOM 444 O GLY A 35 -0.624 0.943 -0.707 1.00 0.00 O ATOM 0 H GLY A 35 -2.563 0.734 -1.863 1.00 0.00 H new ATOM 0 HA2 GLY A 35 -0.691 -0.513 -3.545 1.00 0.00 H new ATOM 0 HA3 GLY A 35 -0.465 1.218 -3.700 1.00 0.00 H new ATOM 448 N GLN A 36 1.111 -0.067 -1.748 1.00 0.00 N ATOM 449 CA GLN A 36 1.943 -0.115 -0.557 1.00 0.00 C ATOM 450 C GLN A 36 2.870 1.099 -0.509 1.00 0.00 C ATOM 451 O GLN A 36 3.995 1.047 -1.008 1.00 0.00 O ATOM 452 CB GLN A 36 2.741 -1.418 -0.500 1.00 0.00 C ATOM 453 CG GLN A 36 2.996 -1.970 -1.904 1.00 0.00 C ATOM 454 CD GLN A 36 4.175 -2.945 -1.905 1.00 0.00 C ATOM 455 OE1 GLN A 36 4.919 -2.890 -3.006 1.00 0.00 O flip ATOM 456 NE2 GLN A 36 4.393 -3.694 -0.969 1.00 0.00 N flip ATOM 0 H GLN A 36 1.539 -0.467 -2.583 1.00 0.00 H new ATOM 0 HA GLN A 36 1.294 -0.086 0.319 1.00 0.00 H new ATOM 0 HB2 GLN A 36 3.692 -1.244 0.004 1.00 0.00 H new ATOM 0 HB3 GLN A 36 2.197 -2.155 0.091 1.00 0.00 H new ATOM 0 HG2 GLN A 36 2.101 -2.475 -2.268 1.00 0.00 H new ATOM 0 HG3 GLN A 36 3.199 -1.148 -2.590 1.00 0.00 H new ATOM 0 HE21 GLN A 36 3.780 -3.683 -0.154 1.00 0.00 H new ATOM 0 HE22 GLN A 36 5.189 -4.332 -1.001 1.00 0.00 H new ATOM 465 N CYS A 37 2.368 2.166 0.096 1.00 0.00 N ATOM 466 CA CYS A 37 3.138 3.392 0.216 1.00 0.00 C ATOM 467 C CYS A 37 3.612 3.519 1.667 1.00 0.00 C ATOM 468 O CYS A 37 2.970 3.006 2.581 1.00 0.00 O ATOM 469 CB CYS A 37 2.333 4.613 -0.230 1.00 0.00 C ATOM 470 SG CYS A 37 3.341 6.063 -0.708 1.00 0.00 S ATOM 0 H CYS A 37 1.436 2.206 0.509 1.00 0.00 H new ATOM 0 HA CYS A 37 4.002 3.349 -0.447 1.00 0.00 H new ATOM 0 HB2 CYS A 37 1.707 4.329 -1.076 1.00 0.00 H new ATOM 0 HB3 CYS A 37 1.663 4.904 0.579 1.00 0.00 H new ATOM 475 N ALA A 38 4.731 4.210 1.830 1.00 0.00 N ATOM 476 CA ALA A 38 5.300 4.414 3.152 1.00 0.00 C ATOM 477 C ALA A 38 6.557 5.274 3.036 1.00 0.00 C ATOM 478 O ALA A 38 7.040 5.529 1.933 1.00 0.00 O ATOM 479 CB ALA A 38 5.579 3.058 3.801 1.00 0.00 C ATOM 0 H ALA A 38 5.259 4.636 1.068 1.00 0.00 H new ATOM 0 HA ALA A 38 4.597 4.945 3.794 1.00 0.00 H new ATOM 0 HB1 ALA A 38 6.006 3.210 4.792 1.00 0.00 H new ATOM 0 HB2 ALA A 38 4.648 2.498 3.889 1.00 0.00 H new ATOM 0 HB3 ALA A 38 6.283 2.498 3.185 1.00 0.00 H new ATOM 485 N TRP A 39 7.054 5.702 4.189 1.00 0.00 N ATOM 486 CA TRP A 39 8.246 6.529 4.228 1.00 0.00 C ATOM 487 C TRP A 39 9.465 5.601 4.245 1.00 0.00 C ATOM 488 O TRP A 39 9.667 4.851 5.197 1.00 0.00 O ATOM 489 CB TRP A 39 8.210 7.486 5.421 1.00 0.00 C ATOM 490 CG TRP A 39 7.552 6.899 6.670 1.00 0.00 C ATOM 491 CD1 TRP A 39 7.947 5.840 7.391 1.00 0.00 C ATOM 492 CD2 TRP A 39 6.357 7.382 7.322 1.00 0.00 C ATOM 493 NE1 TRP A 39 7.098 5.607 8.455 1.00 0.00 N ATOM 494 CE2 TRP A 39 6.102 6.574 8.411 1.00 0.00 C ATOM 495 CE3 TRP A 39 5.521 8.465 7.000 1.00 0.00 C ATOM 496 CZ2 TRP A 39 5.010 6.766 9.266 1.00 0.00 C ATOM 497 CZ3 TRP A 39 4.434 8.642 7.866 1.00 0.00 C ATOM 498 CH2 TRP A 39 4.164 7.838 8.966 1.00 0.00 C ATOM 0 H TRP A 39 6.651 5.491 5.102 1.00 0.00 H new ATOM 0 HA TRP A 39 8.303 7.165 3.345 1.00 0.00 H new ATOM 0 HB2 TRP A 39 9.230 7.783 5.666 1.00 0.00 H new ATOM 0 HB3 TRP A 39 7.675 8.391 5.132 1.00 0.00 H new ATOM 0 HD1 TRP A 39 8.820 5.244 7.168 1.00 0.00 H new ATOM 0 HE1 TRP A 39 7.186 4.862 9.146 1.00 0.00 H new ATOM 0 HE3 TRP A 39 5.702 9.109 6.152 1.00 0.00 H new ATOM 0 HZ2 TRP A 39 4.831 6.120 10.113 1.00 0.00 H new ATOM 0 HZ3 TRP A 39 3.759 9.461 7.664 1.00 0.00 H new ATOM 0 HH2 TRP A 39 3.304 8.040 9.587 1.00 0.00 H new ATOM 509 N VAL A 40 10.245 5.685 3.176 1.00 0.00 N ATOM 510 CA VAL A 40 11.438 4.863 3.055 1.00 0.00 C ATOM 511 C VAL A 40 12.671 5.713 3.364 1.00 0.00 C ATOM 512 O VAL A 40 13.517 5.318 4.164 1.00 0.00 O ATOM 513 CB VAL A 40 11.488 4.217 1.668 1.00 0.00 C ATOM 514 CG1 VAL A 40 12.210 5.124 0.668 1.00 0.00 C ATOM 515 CG2 VAL A 40 12.145 2.837 1.731 1.00 0.00 C ATOM 0 H VAL A 40 10.074 6.309 2.387 1.00 0.00 H new ATOM 0 HA VAL A 40 11.417 4.048 3.778 1.00 0.00 H new ATOM 0 HB VAL A 40 10.463 4.085 1.321 1.00 0.00 H new ATOM 0 HG11 VAL A 40 12.232 4.643 -0.310 1.00 0.00 H new ATOM 0 HG12 VAL A 40 11.682 6.075 0.592 1.00 0.00 H new ATOM 0 HG13 VAL A 40 13.230 5.301 1.008 1.00 0.00 H new ATOM 0 HG21 VAL A 40 12.168 2.399 0.733 1.00 0.00 H new ATOM 0 HG22 VAL A 40 13.163 2.936 2.108 1.00 0.00 H new ATOM 0 HG23 VAL A 40 11.572 2.192 2.397 1.00 0.00 H new ATOM 525 N ASP A 41 12.735 6.867 2.715 1.00 0.00 N ATOM 526 CA ASP A 41 13.849 7.776 2.909 1.00 0.00 C ATOM 527 C ASP A 41 13.576 8.656 4.132 1.00 0.00 C ATOM 528 O ASP A 41 12.566 8.486 4.810 1.00 0.00 O ATOM 529 CB ASP A 41 14.033 8.692 1.699 1.00 0.00 C ATOM 530 CG ASP A 41 15.362 8.528 0.958 1.00 0.00 C ATOM 531 OD1 ASP A 41 15.555 7.441 0.372 1.00 0.00 O ATOM 532 OD2 ASP A 41 16.155 9.493 0.995 1.00 0.00 O ATOM 0 H ASP A 41 12.031 7.192 2.053 1.00 0.00 H new ATOM 0 HA ASP A 41 14.750 7.179 3.047 1.00 0.00 H new ATOM 0 HB2 ASP A 41 13.219 8.510 0.998 1.00 0.00 H new ATOM 0 HB3 ASP A 41 13.944 9.727 2.029 1.00 0.00 H new ATOM 538 N THR A 42 14.496 9.578 4.374 1.00 0.00 N ATOM 539 CA THR A 42 14.368 10.486 5.501 1.00 0.00 C ATOM 540 C THR A 42 12.968 11.103 5.532 1.00 0.00 C ATOM 541 O THR A 42 12.722 12.125 4.892 1.00 0.00 O ATOM 542 CB THR A 42 15.487 11.522 5.404 1.00 0.00 C ATOM 543 OG1 THR A 42 16.671 10.783 5.686 1.00 0.00 O ATOM 544 CG2 THR A 42 15.422 12.562 6.524 1.00 0.00 C ATOM 0 H THR A 42 15.334 9.716 3.809 1.00 0.00 H new ATOM 0 HA THR A 42 14.477 9.958 6.448 1.00 0.00 H new ATOM 0 HB THR A 42 15.432 12.025 4.438 1.00 0.00 H new ATOM 0 HG1 THR A 42 17.447 11.380 5.642 1.00 0.00 H new ATOM 0 HG21 THR A 42 16.239 13.274 6.408 1.00 0.00 H new ATOM 0 HG22 THR A 42 14.470 13.091 6.474 1.00 0.00 H new ATOM 0 HG23 THR A 42 15.510 12.063 7.489 1.00 0.00 H new ATOM 552 N GLY A 43 12.087 10.458 6.281 1.00 0.00 N ATOM 553 CA GLY A 43 10.719 10.931 6.403 1.00 0.00 C ATOM 554 C GLY A 43 10.105 11.194 5.028 1.00 0.00 C ATOM 555 O GLY A 43 9.125 11.928 4.909 1.00 0.00 O ATOM 0 H GLY A 43 12.294 9.611 6.810 1.00 0.00 H new ATOM 0 HA2 GLY A 43 10.121 10.192 6.937 1.00 0.00 H new ATOM 0 HA3 GLY A 43 10.698 11.846 6.995 1.00 0.00 H new ATOM 559 N VAL A 44 10.707 10.580 4.019 1.00 0.00 N ATOM 560 CA VAL A 44 10.231 10.738 2.656 1.00 0.00 C ATOM 561 C VAL A 44 9.228 9.628 2.337 1.00 0.00 C ATOM 562 O VAL A 44 9.599 8.457 2.253 1.00 0.00 O ATOM 563 CB VAL A 44 11.417 10.770 1.688 1.00 0.00 C ATOM 564 CG1 VAL A 44 10.939 10.881 0.238 1.00 0.00 C ATOM 565 CG2 VAL A 44 12.378 11.906 2.037 1.00 0.00 C ATOM 0 H VAL A 44 11.520 9.972 4.119 1.00 0.00 H new ATOM 0 HA VAL A 44 9.709 11.688 2.542 1.00 0.00 H new ATOM 0 HB VAL A 44 11.959 9.830 1.791 1.00 0.00 H new ATOM 0 HG11 VAL A 44 11.801 10.902 -0.429 1.00 0.00 H new ATOM 0 HG12 VAL A 44 10.313 10.023 -0.005 1.00 0.00 H new ATOM 0 HG13 VAL A 44 10.362 11.798 0.114 1.00 0.00 H new ATOM 0 HG21 VAL A 44 13.211 11.906 1.334 1.00 0.00 H new ATOM 0 HG22 VAL A 44 11.852 12.859 1.977 1.00 0.00 H new ATOM 0 HG23 VAL A 44 12.757 11.764 3.049 1.00 0.00 H new ATOM 575 N LEU A 45 7.980 10.033 2.168 1.00 0.00 N ATOM 576 CA LEU A 45 6.920 9.084 1.861 1.00 0.00 C ATOM 577 C LEU A 45 7.005 8.695 0.384 1.00 0.00 C ATOM 578 O LEU A 45 6.611 9.465 -0.490 1.00 0.00 O ATOM 579 CB LEU A 45 5.559 9.654 2.268 1.00 0.00 C ATOM 580 CG LEU A 45 4.864 8.952 3.435 1.00 0.00 C ATOM 581 CD1 LEU A 45 3.950 9.921 4.191 1.00 0.00 C ATOM 582 CD2 LEU A 45 4.109 7.710 2.958 1.00 0.00 C ATOM 0 H LEU A 45 7.676 11.004 2.237 1.00 0.00 H new ATOM 0 HA LEU A 45 7.045 8.170 2.441 1.00 0.00 H new ATOM 0 HB2 LEU A 45 5.689 10.705 2.527 1.00 0.00 H new ATOM 0 HB3 LEU A 45 4.898 9.619 1.402 1.00 0.00 H new ATOM 0 HG LEU A 45 5.629 8.615 4.135 1.00 0.00 H new ATOM 0 HD11 LEU A 45 3.467 9.397 5.016 1.00 0.00 H new ATOM 0 HD12 LEU A 45 4.542 10.748 4.583 1.00 0.00 H new ATOM 0 HD13 LEU A 45 3.190 10.308 3.513 1.00 0.00 H new ATOM 0 HD21 LEU A 45 3.624 7.230 3.808 1.00 0.00 H new ATOM 0 HD22 LEU A 45 3.355 8.001 2.227 1.00 0.00 H new ATOM 0 HD23 LEU A 45 4.809 7.013 2.499 1.00 0.00 H new ATOM 594 N ALA A 46 7.523 7.497 0.153 1.00 0.00 N ATOM 595 CA ALA A 46 7.665 6.993 -1.204 1.00 0.00 C ATOM 596 C ALA A 46 6.763 5.769 -1.387 1.00 0.00 C ATOM 597 O ALA A 46 6.613 4.962 -0.470 1.00 0.00 O ATOM 598 CB ALA A 46 9.136 6.679 -1.480 1.00 0.00 C ATOM 0 H ALA A 46 7.849 6.861 0.881 1.00 0.00 H new ATOM 0 HA ALA A 46 7.350 7.745 -1.927 1.00 0.00 H new ATOM 0 HB1 ALA A 46 9.243 6.301 -2.497 1.00 0.00 H new ATOM 0 HB2 ALA A 46 9.729 7.586 -1.366 1.00 0.00 H new ATOM 0 HB3 ALA A 46 9.486 5.925 -0.774 1.00 0.00 H new ATOM 604 N CYS A 47 6.186 5.673 -2.576 1.00 0.00 N ATOM 605 CA CYS A 47 5.303 4.561 -2.889 1.00 0.00 C ATOM 606 C CYS A 47 6.028 3.633 -3.865 1.00 0.00 C ATOM 607 O CYS A 47 6.823 4.088 -4.687 1.00 0.00 O ATOM 608 CB CYS A 47 3.964 5.042 -3.449 1.00 0.00 C ATOM 609 SG CYS A 47 3.320 6.577 -2.684 1.00 0.00 S ATOM 0 H CYS A 47 6.312 6.345 -3.333 1.00 0.00 H new ATOM 0 HA CYS A 47 5.065 4.014 -1.976 1.00 0.00 H new ATOM 0 HB2 CYS A 47 4.072 5.204 -4.521 1.00 0.00 H new ATOM 0 HB3 CYS A 47 3.226 4.250 -3.319 1.00 0.00 H new ATOM 614 N ASN A 48 5.729 2.348 -3.743 1.00 0.00 N ATOM 615 CA ASN A 48 6.342 1.353 -4.605 1.00 0.00 C ATOM 616 C ASN A 48 5.637 1.354 -5.963 1.00 0.00 C ATOM 617 O ASN A 48 4.622 2.025 -6.138 1.00 0.00 O ATOM 618 CB ASN A 48 6.211 -0.051 -4.007 1.00 0.00 C ATOM 619 CG ASN A 48 6.114 0.013 -2.481 1.00 0.00 C ATOM 620 OD1 ASN A 48 5.343 -0.698 -1.853 1.00 0.00 O ATOM 621 ND2 ASN A 48 6.933 0.899 -1.922 1.00 0.00 N ATOM 0 H ASN A 48 5.070 1.973 -3.060 1.00 0.00 H new ATOM 0 HA ASN A 48 7.397 1.605 -4.710 1.00 0.00 H new ATOM 0 HB2 ASN A 48 5.326 -0.542 -4.412 1.00 0.00 H new ATOM 0 HB3 ASN A 48 7.071 -0.655 -4.296 1.00 0.00 H new ATOM 0 HD21 ASN A 48 6.942 1.016 -0.909 1.00 0.00 H new ATOM 0 HD22 ASN A 48 7.552 1.461 -2.506 1.00 0.00 H new ATOM 628 N PRO A 49 6.218 0.575 -6.914 1.00 0.00 N ATOM 629 CA PRO A 49 5.655 0.480 -8.250 1.00 0.00 C ATOM 630 C PRO A 49 4.397 -0.390 -8.256 1.00 0.00 C ATOM 631 O PRO A 49 3.620 -0.360 -9.210 1.00 0.00 O ATOM 632 CB PRO A 49 6.773 -0.088 -9.109 1.00 0.00 C ATOM 633 CG PRO A 49 7.760 -0.722 -8.142 1.00 0.00 C ATOM 634 CD PRO A 49 7.420 -0.236 -6.743 1.00 0.00 C ATOM 0 HA PRO A 49 5.324 1.445 -8.635 1.00 0.00 H new ATOM 0 HB2 PRO A 49 6.388 -0.825 -9.814 1.00 0.00 H new ATOM 0 HB3 PRO A 49 7.251 0.696 -9.697 1.00 0.00 H new ATOM 0 HG2 PRO A 49 7.700 -1.809 -8.193 1.00 0.00 H new ATOM 0 HG3 PRO A 49 8.782 -0.446 -8.404 1.00 0.00 H new ATOM 0 HD2 PRO A 49 7.241 -1.071 -6.066 1.00 0.00 H new ATOM 0 HD3 PRO A 49 8.235 0.349 -6.318 1.00 0.00 H new ATOM 642 N ALA A 50 4.235 -1.147 -7.180 1.00 0.00 N ATOM 643 CA ALA A 50 3.085 -2.024 -7.048 1.00 0.00 C ATOM 644 C ALA A 50 2.043 -1.361 -6.145 1.00 0.00 C ATOM 645 O ALA A 50 1.119 -2.019 -5.669 1.00 0.00 O ATOM 646 CB ALA A 50 3.538 -3.385 -6.512 1.00 0.00 C ATOM 0 H ALA A 50 4.882 -1.171 -6.392 1.00 0.00 H new ATOM 0 HA ALA A 50 2.620 -2.194 -8.019 1.00 0.00 H new ATOM 0 HB1 ALA A 50 2.675 -4.043 -6.413 1.00 0.00 H new ATOM 0 HB2 ALA A 50 4.255 -3.828 -7.204 1.00 0.00 H new ATOM 0 HB3 ALA A 50 4.008 -3.254 -5.537 1.00 0.00 H new ATOM 652 N ASP A 51 2.225 -0.066 -5.938 1.00 0.00 N ATOM 653 CA ASP A 51 1.313 0.694 -5.100 1.00 0.00 C ATOM 654 C ASP A 51 0.186 1.263 -5.966 1.00 0.00 C ATOM 655 O ASP A 51 -0.536 2.162 -5.539 1.00 0.00 O ATOM 656 CB ASP A 51 2.029 1.867 -4.428 1.00 0.00 C ATOM 657 CG ASP A 51 1.114 2.998 -3.954 1.00 0.00 C ATOM 658 OD1 ASP A 51 0.623 2.891 -2.811 1.00 0.00 O ATOM 659 OD2 ASP A 51 0.927 3.945 -4.749 1.00 0.00 O ATOM 0 H ASP A 51 2.991 0.477 -6.336 1.00 0.00 H new ATOM 0 HA ASP A 51 0.922 0.024 -4.335 1.00 0.00 H new ATOM 0 HB2 ASP A 51 2.588 1.489 -3.572 1.00 0.00 H new ATOM 0 HB3 ASP A 51 2.757 2.278 -5.128 1.00 0.00 H new ATOM 665 N PHE A 52 0.073 0.714 -7.168 1.00 0.00 N ATOM 666 CA PHE A 52 -0.952 1.157 -8.097 1.00 0.00 C ATOM 667 C PHE A 52 -2.031 0.086 -8.272 1.00 0.00 C ATOM 668 O PHE A 52 -1.825 -0.896 -8.985 1.00 0.00 O ATOM 669 CB PHE A 52 -0.265 1.396 -9.443 1.00 0.00 C ATOM 670 CG PHE A 52 0.848 2.445 -9.394 1.00 0.00 C ATOM 671 CD1 PHE A 52 2.004 2.180 -8.728 1.00 0.00 C ATOM 672 CD2 PHE A 52 0.682 3.641 -10.019 1.00 0.00 C ATOM 673 CE1 PHE A 52 3.037 3.153 -8.684 1.00 0.00 C ATOM 674 CE2 PHE A 52 1.715 4.615 -9.973 1.00 0.00 C ATOM 675 CZ PHE A 52 2.870 4.350 -9.308 1.00 0.00 C ATOM 0 H PHE A 52 0.674 -0.032 -7.518 1.00 0.00 H new ATOM 0 HA PHE A 52 -1.431 2.061 -7.719 1.00 0.00 H new ATOM 0 HB2 PHE A 52 0.152 0.454 -9.799 1.00 0.00 H new ATOM 0 HB3 PHE A 52 -1.013 1.708 -10.171 1.00 0.00 H new ATOM 0 HD1 PHE A 52 2.136 1.229 -8.233 1.00 0.00 H new ATOM 0 HD2 PHE A 52 -0.235 3.850 -10.550 1.00 0.00 H new ATOM 0 HE1 PHE A 52 3.955 2.943 -8.155 1.00 0.00 H new ATOM 0 HE2 PHE A 52 1.582 5.566 -10.467 1.00 0.00 H new ATOM 0 HZ PHE A 52 3.656 5.090 -9.275 1.00 0.00 H new ATOM 685 N SER A 53 -3.156 0.310 -7.610 1.00 0.00 N ATOM 686 CA SER A 53 -4.268 -0.623 -7.684 1.00 0.00 C ATOM 687 C SER A 53 -5.593 0.129 -7.545 1.00 0.00 C ATOM 688 O SER A 53 -6.194 0.141 -6.473 1.00 0.00 O ATOM 689 CB SER A 53 -4.155 -1.702 -6.604 1.00 0.00 C ATOM 690 OG SER A 53 -5.389 -2.380 -6.395 1.00 0.00 O ATOM 0 H SER A 53 -3.322 1.125 -7.019 1.00 0.00 H new ATOM 0 HA SER A 53 -4.237 -1.115 -8.656 1.00 0.00 H new ATOM 0 HB2 SER A 53 -3.390 -2.423 -6.891 1.00 0.00 H new ATOM 0 HB3 SER A 53 -3.829 -1.246 -5.669 1.00 0.00 H new ATOM 0 HG SER A 53 -6.063 -1.742 -6.080 1.00 0.00 H new ATOM 696 N SER A 54 -6.008 0.739 -8.645 1.00 0.00 N ATOM 697 CA SER A 54 -7.252 1.491 -8.660 1.00 0.00 C ATOM 698 C SER A 54 -8.408 0.599 -8.209 1.00 0.00 C ATOM 699 O SER A 54 -8.616 -0.481 -8.760 1.00 0.00 O ATOM 700 CB SER A 54 -7.534 2.062 -10.052 1.00 0.00 C ATOM 701 OG SER A 54 -7.746 1.035 -11.018 1.00 0.00 O ATOM 0 H SER A 54 -5.505 0.728 -9.532 1.00 0.00 H new ATOM 0 HA SER A 54 -7.155 2.327 -7.967 1.00 0.00 H new ATOM 0 HB2 SER A 54 -8.413 2.706 -10.009 1.00 0.00 H new ATOM 0 HB3 SER A 54 -6.697 2.686 -10.364 1.00 0.00 H new ATOM 0 HG SER A 54 -8.015 0.209 -10.564 1.00 0.00 H new ATOM 707 N VAL A 55 -9.134 1.083 -7.211 1.00 0.00 N ATOM 708 CA VAL A 55 -10.265 0.343 -6.678 1.00 0.00 C ATOM 709 C VAL A 55 -11.256 1.320 -6.046 1.00 0.00 C ATOM 710 O VAL A 55 -10.967 2.510 -5.922 1.00 0.00 O ATOM 711 CB VAL A 55 -9.777 -0.729 -5.702 1.00 0.00 C ATOM 712 CG1 VAL A 55 -9.268 -0.096 -4.405 1.00 0.00 C ATOM 713 CG2 VAL A 55 -10.876 -1.755 -5.418 1.00 0.00 C ATOM 0 H VAL A 55 -8.960 1.980 -6.757 1.00 0.00 H new ATOM 0 HA VAL A 55 -10.790 -0.180 -7.478 1.00 0.00 H new ATOM 0 HB VAL A 55 -8.944 -1.254 -6.169 1.00 0.00 H new ATOM 0 HG11 VAL A 55 -8.927 -0.879 -3.728 1.00 0.00 H new ATOM 0 HG12 VAL A 55 -8.440 0.577 -4.629 1.00 0.00 H new ATOM 0 HG13 VAL A 55 -10.074 0.466 -3.933 1.00 0.00 H new ATOM 0 HG21 VAL A 55 -10.502 -2.505 -4.721 1.00 0.00 H new ATOM 0 HG22 VAL A 55 -11.739 -1.252 -4.981 1.00 0.00 H new ATOM 0 HG23 VAL A 55 -11.171 -2.239 -6.349 1.00 0.00 H new ATOM 723 N THR A 56 -12.405 0.784 -5.661 1.00 0.00 N ATOM 724 CA THR A 56 -13.441 1.595 -5.045 1.00 0.00 C ATOM 725 C THR A 56 -14.089 0.839 -3.883 1.00 0.00 C ATOM 726 O THR A 56 -13.870 -0.360 -3.718 1.00 0.00 O ATOM 727 CB THR A 56 -14.435 2.001 -6.133 1.00 0.00 C ATOM 728 OG1 THR A 56 -14.898 3.285 -5.722 1.00 0.00 O ATOM 729 CG2 THR A 56 -15.694 1.133 -6.131 1.00 0.00 C ATOM 0 H THR A 56 -12.641 -0.203 -5.764 1.00 0.00 H new ATOM 0 HA THR A 56 -13.025 2.504 -4.610 1.00 0.00 H new ATOM 0 HB THR A 56 -13.951 1.935 -7.107 1.00 0.00 H new ATOM 0 HG1 THR A 56 -14.691 3.419 -4.773 1.00 0.00 H new ATOM 0 HG21 THR A 56 -16.366 1.464 -6.923 1.00 0.00 H new ATOM 0 HG22 THR A 56 -15.419 0.092 -6.301 1.00 0.00 H new ATOM 0 HG23 THR A 56 -16.196 1.223 -5.168 1.00 0.00 H new ATOM 737 N ALA A 57 -14.874 1.570 -3.107 1.00 0.00 N ATOM 738 CA ALA A 57 -15.554 0.984 -1.965 1.00 0.00 C ATOM 739 C ALA A 57 -17.039 0.812 -2.295 1.00 0.00 C ATOM 740 O ALA A 57 -17.691 1.755 -2.746 1.00 0.00 O ATOM 741 CB ALA A 57 -15.329 1.859 -0.731 1.00 0.00 C ATOM 0 H ALA A 57 -15.055 2.564 -3.247 1.00 0.00 H new ATOM 0 HA ALA A 57 -15.148 -0.003 -1.742 1.00 0.00 H new ATOM 0 HB1 ALA A 57 -15.840 1.419 0.125 1.00 0.00 H new ATOM 0 HB2 ALA A 57 -14.261 1.926 -0.522 1.00 0.00 H new ATOM 0 HB3 ALA A 57 -15.726 2.857 -0.916 1.00 0.00 H new ATOM 747 N ASP A 58 -17.531 -0.395 -2.057 1.00 0.00 N ATOM 748 CA ASP A 58 -18.926 -0.700 -2.324 1.00 0.00 C ATOM 749 C ASP A 58 -19.810 0.106 -1.372 1.00 0.00 C ATOM 750 O ASP A 58 -19.377 0.480 -0.282 1.00 0.00 O ATOM 751 CB ASP A 58 -19.217 -2.186 -2.098 1.00 0.00 C ATOM 752 CG ASP A 58 -18.016 -3.115 -2.278 1.00 0.00 C ATOM 753 OD1 ASP A 58 -17.122 -2.741 -3.068 1.00 0.00 O ATOM 754 OD2 ASP A 58 -18.018 -4.179 -1.622 1.00 0.00 O ATOM 0 H ASP A 58 -16.988 -1.173 -1.682 1.00 0.00 H new ATOM 0 HA ASP A 58 -19.135 -0.446 -3.363 1.00 0.00 H new ATOM 0 HB2 ASP A 58 -19.609 -2.315 -1.089 1.00 0.00 H new ATOM 0 HB3 ASP A 58 -20.003 -2.496 -2.787 1.00 0.00 H new ATOM 760 N ALA A 59 -21.034 0.349 -1.816 1.00 0.00 N ATOM 761 CA ALA A 59 -21.985 1.104 -1.017 1.00 0.00 C ATOM 762 C ALA A 59 -21.861 0.681 0.448 1.00 0.00 C ATOM 763 O ALA A 59 -22.114 1.479 1.351 1.00 0.00 O ATOM 764 CB ALA A 59 -23.397 0.896 -1.567 1.00 0.00 C ATOM 0 H ALA A 59 -21.390 0.036 -2.719 1.00 0.00 H new ATOM 0 HA ALA A 59 -21.770 2.171 -1.072 1.00 0.00 H new ATOM 0 HB1 ALA A 59 -24.109 1.463 -0.967 1.00 0.00 H new ATOM 0 HB2 ALA A 59 -23.439 1.240 -2.600 1.00 0.00 H new ATOM 0 HB3 ALA A 59 -23.651 -0.163 -1.526 1.00 0.00 H new ATOM 770 N ASN A 60 -21.471 -0.569 0.640 1.00 0.00 N ATOM 771 CA ASN A 60 -21.311 -1.109 1.979 1.00 0.00 C ATOM 772 C ASN A 60 -19.897 -0.806 2.479 1.00 0.00 C ATOM 773 O ASN A 60 -19.319 -1.592 3.231 1.00 0.00 O ATOM 774 CB ASN A 60 -21.502 -2.626 1.990 1.00 0.00 C ATOM 775 CG ASN A 60 -22.641 -3.028 2.929 1.00 0.00 C ATOM 776 OD1 ASN A 60 -23.539 -2.257 3.225 1.00 0.00 O ATOM 777 ND2 ASN A 60 -22.554 -4.276 3.381 1.00 0.00 N ATOM 0 H ASN A 60 -21.260 -1.226 -0.111 1.00 0.00 H new ATOM 0 HA ASN A 60 -22.063 -0.648 2.620 1.00 0.00 H new ATOM 0 HB2 ASN A 60 -21.717 -2.976 0.981 1.00 0.00 H new ATOM 0 HB3 ASN A 60 -20.578 -3.110 2.305 1.00 0.00 H new ATOM 0 HD21 ASN A 60 -23.266 -4.640 4.015 1.00 0.00 H new ATOM 0 HD22 ASN A 60 -21.776 -4.869 3.094 1.00 0.00 H new ATOM 784 N GLY A 61 -19.380 0.334 2.044 1.00 0.00 N ATOM 785 CA GLY A 61 -18.045 0.748 2.437 1.00 0.00 C ATOM 786 C GLY A 61 -17.087 -0.444 2.469 1.00 0.00 C ATOM 787 O GLY A 61 -16.289 -0.579 3.396 1.00 0.00 O ATOM 0 H GLY A 61 -19.862 0.984 1.423 1.00 0.00 H new ATOM 0 HA2 GLY A 61 -17.673 1.499 1.740 1.00 0.00 H new ATOM 0 HA3 GLY A 61 -18.081 1.217 3.421 1.00 0.00 H new ATOM 791 N SER A 62 -17.198 -1.279 1.445 1.00 0.00 N ATOM 792 CA SER A 62 -16.351 -2.455 1.345 1.00 0.00 C ATOM 793 C SER A 62 -15.447 -2.345 0.115 1.00 0.00 C ATOM 794 O SER A 62 -15.905 -2.507 -1.014 1.00 0.00 O ATOM 795 CB SER A 62 -17.190 -3.733 1.273 1.00 0.00 C ATOM 796 OG SER A 62 -18.583 -3.463 1.393 1.00 0.00 O ATOM 0 H SER A 62 -17.861 -1.164 0.679 1.00 0.00 H new ATOM 0 HA SER A 62 -15.732 -2.508 2.241 1.00 0.00 H new ATOM 0 HB2 SER A 62 -16.999 -4.240 0.327 1.00 0.00 H new ATOM 0 HB3 SER A 62 -16.883 -4.414 2.067 1.00 0.00 H new ATOM 0 HG SER A 62 -19.085 -4.303 1.341 1.00 0.00 H new ATOM 802 N ALA A 63 -14.178 -2.068 0.378 1.00 0.00 N ATOM 803 CA ALA A 63 -13.205 -1.933 -0.694 1.00 0.00 C ATOM 804 C ALA A 63 -12.300 -3.169 -0.713 1.00 0.00 C ATOM 805 O ALA A 63 -11.195 -3.141 -0.177 1.00 0.00 O ATOM 806 CB ALA A 63 -12.415 -0.639 -0.507 1.00 0.00 C ATOM 0 H ALA A 63 -13.801 -1.933 1.316 1.00 0.00 H new ATOM 0 HA ALA A 63 -13.705 -1.873 -1.660 1.00 0.00 H new ATOM 0 HB1 ALA A 63 -11.686 -0.538 -1.311 1.00 0.00 H new ATOM 0 HB2 ALA A 63 -13.098 0.210 -0.528 1.00 0.00 H new ATOM 0 HB3 ALA A 63 -11.897 -0.664 0.452 1.00 0.00 H new ATOM 812 N SER A 64 -12.807 -4.223 -1.338 1.00 0.00 N ATOM 813 CA SER A 64 -12.058 -5.466 -1.436 1.00 0.00 C ATOM 814 C SER A 64 -11.231 -5.480 -2.722 1.00 0.00 C ATOM 815 O SER A 64 -11.689 -5.970 -3.753 1.00 0.00 O ATOM 816 CB SER A 64 -12.993 -6.675 -1.391 1.00 0.00 C ATOM 817 OG SER A 64 -13.956 -6.643 -2.441 1.00 0.00 O ATOM 0 H SER A 64 -13.726 -4.242 -1.781 1.00 0.00 H new ATOM 0 HA SER A 64 -11.385 -5.529 -0.581 1.00 0.00 H new ATOM 0 HB2 SER A 64 -12.406 -7.590 -1.465 1.00 0.00 H new ATOM 0 HB3 SER A 64 -13.506 -6.702 -0.429 1.00 0.00 H new ATOM 0 HG SER A 64 -13.508 -6.442 -3.289 1.00 0.00 H new ATOM 823 N THR A 65 -10.028 -4.935 -2.620 1.00 0.00 N ATOM 824 CA THR A 65 -9.133 -4.879 -3.764 1.00 0.00 C ATOM 825 C THR A 65 -7.979 -5.864 -3.586 1.00 0.00 C ATOM 826 O THR A 65 -7.272 -5.824 -2.579 1.00 0.00 O ATOM 827 CB THR A 65 -8.674 -3.430 -3.935 1.00 0.00 C ATOM 828 OG1 THR A 65 -8.287 -3.346 -5.304 1.00 0.00 O ATOM 829 CG2 THR A 65 -7.387 -3.127 -3.164 1.00 0.00 C ATOM 0 H THR A 65 -9.652 -4.528 -1.764 1.00 0.00 H new ATOM 0 HA THR A 65 -9.641 -5.184 -4.679 1.00 0.00 H new ATOM 0 HB THR A 65 -9.464 -2.758 -3.599 1.00 0.00 H new ATOM 0 HG1 THR A 65 -7.348 -3.072 -5.362 1.00 0.00 H new ATOM 0 HG21 THR A 65 -7.106 -2.085 -3.320 1.00 0.00 H new ATOM 0 HG22 THR A 65 -7.550 -3.304 -2.101 1.00 0.00 H new ATOM 0 HG23 THR A 65 -6.587 -3.776 -3.521 1.00 0.00 H new ATOM 837 N SER A 66 -7.819 -6.726 -4.579 1.00 0.00 N ATOM 838 CA SER A 66 -6.760 -7.722 -4.544 1.00 0.00 C ATOM 839 C SER A 66 -5.481 -7.148 -5.159 1.00 0.00 C ATOM 840 O SER A 66 -5.523 -6.528 -6.222 1.00 0.00 O ATOM 841 CB SER A 66 -7.177 -8.996 -5.280 1.00 0.00 C ATOM 842 OG SER A 66 -7.186 -8.817 -6.696 1.00 0.00 O ATOM 0 H SER A 66 -8.405 -6.756 -5.413 1.00 0.00 H new ATOM 0 HA SER A 66 -6.570 -7.982 -3.503 1.00 0.00 H new ATOM 0 HB2 SER A 66 -6.493 -9.804 -5.021 1.00 0.00 H new ATOM 0 HB3 SER A 66 -8.170 -9.299 -4.947 1.00 0.00 H new ATOM 0 HG SER A 66 -7.456 -9.653 -7.130 1.00 0.00 H new ATOM 848 N LEU A 67 -4.377 -7.375 -4.465 1.00 0.00 N ATOM 849 CA LEU A 67 -3.089 -6.887 -4.929 1.00 0.00 C ATOM 850 C LEU A 67 -1.978 -7.780 -4.370 1.00 0.00 C ATOM 851 O LEU A 67 -2.224 -8.601 -3.486 1.00 0.00 O ATOM 852 CB LEU A 67 -2.920 -5.408 -4.584 1.00 0.00 C ATOM 853 CG LEU A 67 -2.280 -4.534 -5.667 1.00 0.00 C ATOM 854 CD1 LEU A 67 -0.755 -4.628 -5.617 1.00 0.00 C ATOM 855 CD2 LEU A 67 -2.833 -4.887 -7.049 1.00 0.00 C ATOM 0 H LEU A 67 -4.347 -7.890 -3.585 1.00 0.00 H new ATOM 0 HA LEU A 67 -3.029 -6.945 -6.016 1.00 0.00 H new ATOM 0 HB2 LEU A 67 -3.901 -4.997 -4.346 1.00 0.00 H new ATOM 0 HB3 LEU A 67 -2.315 -5.333 -3.680 1.00 0.00 H new ATOM 0 HG LEU A 67 -2.543 -3.495 -5.470 1.00 0.00 H new ATOM 0 HD11 LEU A 67 -0.326 -3.998 -6.396 1.00 0.00 H new ATOM 0 HD12 LEU A 67 -0.401 -4.291 -4.642 1.00 0.00 H new ATOM 0 HD13 LEU A 67 -0.449 -5.662 -5.777 1.00 0.00 H new ATOM 0 HD21 LEU A 67 -2.364 -4.253 -7.801 1.00 0.00 H new ATOM 0 HD22 LEU A 67 -2.619 -5.933 -7.270 1.00 0.00 H new ATOM 0 HD23 LEU A 67 -3.911 -4.727 -7.061 1.00 0.00 H new ATOM 867 N THR A 68 -0.782 -7.591 -4.907 1.00 0.00 N ATOM 868 CA THR A 68 0.365 -8.368 -4.472 1.00 0.00 C ATOM 869 C THR A 68 1.303 -7.506 -3.624 1.00 0.00 C ATOM 870 O THR A 68 1.512 -6.332 -3.922 1.00 0.00 O ATOM 871 CB THR A 68 1.038 -8.953 -5.715 1.00 0.00 C ATOM 872 OG1 THR A 68 -0.001 -9.689 -6.358 1.00 0.00 O ATOM 873 CG2 THR A 68 2.085 -10.013 -5.370 1.00 0.00 C ATOM 0 H THR A 68 -0.583 -6.910 -5.640 1.00 0.00 H new ATOM 0 HA THR A 68 0.062 -9.194 -3.828 1.00 0.00 H new ATOM 0 HB THR A 68 1.507 -8.151 -6.285 1.00 0.00 H new ATOM 0 HG1 THR A 68 0.348 -10.101 -7.176 1.00 0.00 H new ATOM 0 HG21 THR A 68 2.532 -10.395 -6.288 1.00 0.00 H new ATOM 0 HG22 THR A 68 2.861 -9.569 -4.746 1.00 0.00 H new ATOM 0 HG23 THR A 68 1.610 -10.832 -4.830 1.00 0.00 H new ATOM 881 N VAL A 69 1.843 -8.123 -2.583 1.00 0.00 N ATOM 882 CA VAL A 69 2.753 -7.429 -1.689 1.00 0.00 C ATOM 883 C VAL A 69 4.182 -7.568 -2.215 1.00 0.00 C ATOM 884 O VAL A 69 4.946 -8.402 -1.730 1.00 0.00 O ATOM 885 CB VAL A 69 2.586 -7.952 -0.261 1.00 0.00 C ATOM 886 CG1 VAL A 69 3.440 -7.150 0.720 1.00 0.00 C ATOM 887 CG2 VAL A 69 1.114 -7.942 0.158 1.00 0.00 C ATOM 0 H VAL A 69 1.667 -9.098 -2.339 1.00 0.00 H new ATOM 0 HA VAL A 69 2.521 -6.364 -1.658 1.00 0.00 H new ATOM 0 HB VAL A 69 2.933 -8.985 -0.240 1.00 0.00 H new ATOM 0 HG11 VAL A 69 3.302 -7.543 1.727 1.00 0.00 H new ATOM 0 HG12 VAL A 69 4.490 -7.231 0.439 1.00 0.00 H new ATOM 0 HG13 VAL A 69 3.138 -6.103 0.694 1.00 0.00 H new ATOM 0 HG21 VAL A 69 1.023 -8.318 1.177 1.00 0.00 H new ATOM 0 HG22 VAL A 69 0.730 -6.923 0.112 1.00 0.00 H new ATOM 0 HG23 VAL A 69 0.540 -8.577 -0.516 1.00 0.00 H new ATOM 897 N ARG A 70 4.501 -6.741 -3.198 1.00 0.00 N ATOM 898 CA ARG A 70 5.825 -6.763 -3.795 1.00 0.00 C ATOM 899 C ARG A 70 6.769 -5.835 -3.025 1.00 0.00 C ATOM 900 O ARG A 70 7.265 -4.852 -3.574 1.00 0.00 O ATOM 901 CB ARG A 70 5.778 -6.326 -5.260 1.00 0.00 C ATOM 902 CG ARG A 70 4.958 -7.309 -6.099 1.00 0.00 C ATOM 903 CD ARG A 70 5.868 -8.317 -6.804 1.00 0.00 C ATOM 904 NE ARG A 70 5.108 -9.042 -7.847 1.00 0.00 N ATOM 905 CZ ARG A 70 5.615 -10.033 -8.595 1.00 0.00 C ATOM 906 NH1 ARG A 70 6.885 -10.420 -8.419 1.00 0.00 N ATOM 907 NH2 ARG A 70 4.851 -10.631 -9.519 1.00 0.00 N ATOM 0 H ARG A 70 3.865 -6.050 -3.597 1.00 0.00 H new ATOM 0 HA ARG A 70 6.193 -7.788 -3.745 1.00 0.00 H new ATOM 0 HB2 ARG A 70 5.343 -5.329 -5.332 1.00 0.00 H new ATOM 0 HB3 ARG A 70 6.791 -6.261 -5.657 1.00 0.00 H new ATOM 0 HG2 ARG A 70 4.251 -7.837 -5.460 1.00 0.00 H new ATOM 0 HG3 ARG A 70 4.373 -6.762 -6.838 1.00 0.00 H new ATOM 0 HD2 ARG A 70 6.717 -7.801 -7.253 1.00 0.00 H new ATOM 0 HD3 ARG A 70 6.272 -9.024 -6.079 1.00 0.00 H new ATOM 0 HE ARG A 70 4.138 -8.771 -8.007 1.00 0.00 H new ATOM 0 HH11 ARG A 70 7.465 -9.961 -7.717 1.00 0.00 H new ATOM 0 HH12 ARG A 70 7.272 -11.174 -8.987 1.00 0.00 H new ATOM 0 HH21 ARG A 70 3.885 -10.332 -9.653 1.00 0.00 H new ATOM 0 HH22 ARG A 70 5.235 -11.385 -10.089 1.00 0.00 H new ATOM 921 N ARG A 71 6.990 -6.180 -1.764 1.00 0.00 N ATOM 922 CA ARG A 71 7.865 -5.393 -0.914 1.00 0.00 C ATOM 923 C ARG A 71 9.133 -5.000 -1.676 1.00 0.00 C ATOM 924 O ARG A 71 9.726 -3.958 -1.404 1.00 0.00 O ATOM 925 CB ARG A 71 8.254 -6.170 0.345 1.00 0.00 C ATOM 926 CG ARG A 71 8.768 -5.226 1.434 1.00 0.00 C ATOM 927 CD ARG A 71 8.882 -5.951 2.778 1.00 0.00 C ATOM 928 NE ARG A 71 9.733 -7.152 2.634 1.00 0.00 N ATOM 929 CZ ARG A 71 10.287 -7.807 3.662 1.00 0.00 C ATOM 930 NH1 ARG A 71 10.086 -7.380 4.916 1.00 0.00 N ATOM 931 NH2 ARG A 71 11.045 -8.889 3.437 1.00 0.00 N ATOM 0 H ARG A 71 6.577 -6.995 -1.311 1.00 0.00 H new ATOM 0 HA ARG A 71 7.322 -4.495 -0.619 1.00 0.00 H new ATOM 0 HB2 ARG A 71 7.392 -6.724 0.716 1.00 0.00 H new ATOM 0 HB3 ARG A 71 9.023 -6.903 0.101 1.00 0.00 H new ATOM 0 HG2 ARG A 71 9.742 -4.829 1.147 1.00 0.00 H new ATOM 0 HG3 ARG A 71 8.093 -4.375 1.531 1.00 0.00 H new ATOM 0 HD2 ARG A 71 9.306 -5.282 3.527 1.00 0.00 H new ATOM 0 HD3 ARG A 71 7.891 -6.237 3.131 1.00 0.00 H new ATOM 0 HE ARG A 71 9.909 -7.503 1.693 1.00 0.00 H new ATOM 0 HH11 ARG A 71 9.511 -6.556 5.088 1.00 0.00 H new ATOM 0 HH12 ARG A 71 10.508 -7.879 5.699 1.00 0.00 H new ATOM 0 HH21 ARG A 71 11.200 -9.214 2.483 1.00 0.00 H new ATOM 0 HH22 ARG A 71 11.467 -9.388 4.220 1.00 0.00 H new ATOM 945 N SER A 72 9.509 -5.856 -2.615 1.00 0.00 N ATOM 946 CA SER A 72 10.694 -5.610 -3.417 1.00 0.00 C ATOM 947 C SER A 72 10.303 -4.956 -4.745 1.00 0.00 C ATOM 948 O SER A 72 9.432 -5.455 -5.454 1.00 0.00 O ATOM 949 CB SER A 72 11.464 -6.908 -3.673 1.00 0.00 C ATOM 950 OG SER A 72 10.611 -8.050 -3.645 1.00 0.00 O ATOM 0 H SER A 72 9.014 -6.720 -2.838 1.00 0.00 H new ATOM 0 HA SER A 72 11.346 -4.933 -2.864 1.00 0.00 H new ATOM 0 HB2 SER A 72 11.960 -6.850 -4.642 1.00 0.00 H new ATOM 0 HB3 SER A 72 12.245 -7.020 -2.921 1.00 0.00 H new ATOM 0 HG SER A 72 11.140 -8.858 -3.814 1.00 0.00 H new ATOM 956 N PHE A 73 10.966 -3.845 -5.037 1.00 0.00 N ATOM 957 CA PHE A 73 10.698 -3.118 -6.265 1.00 0.00 C ATOM 958 C PHE A 73 11.235 -1.688 -6.183 1.00 0.00 C ATOM 959 O PHE A 73 11.674 -1.245 -5.122 1.00 0.00 O ATOM 960 CB PHE A 73 9.178 -3.069 -6.435 1.00 0.00 C ATOM 961 CG PHE A 73 8.654 -3.921 -7.592 1.00 0.00 C ATOM 962 CD1 PHE A 73 9.372 -4.022 -8.743 1.00 0.00 C ATOM 963 CD2 PHE A 73 7.469 -4.578 -7.471 1.00 0.00 C ATOM 964 CE1 PHE A 73 8.886 -4.812 -9.818 1.00 0.00 C ATOM 965 CE2 PHE A 73 6.983 -5.369 -8.547 1.00 0.00 C ATOM 966 CZ PHE A 73 7.702 -5.470 -9.696 1.00 0.00 C ATOM 0 H PHE A 73 11.687 -3.432 -4.445 1.00 0.00 H new ATOM 0 HA PHE A 73 11.185 -3.614 -7.104 1.00 0.00 H new ATOM 0 HB2 PHE A 73 8.708 -3.403 -5.510 1.00 0.00 H new ATOM 0 HB3 PHE A 73 8.873 -2.034 -6.592 1.00 0.00 H new ATOM 0 HD1 PHE A 73 10.313 -3.501 -8.839 1.00 0.00 H new ATOM 0 HD2 PHE A 73 6.898 -4.499 -6.558 1.00 0.00 H new ATOM 0 HE1 PHE A 73 9.456 -4.890 -10.732 1.00 0.00 H new ATOM 0 HE2 PHE A 73 6.042 -5.890 -8.452 1.00 0.00 H new ATOM 0 HZ PHE A 73 7.333 -6.073 -10.512 1.00 0.00 H new ATOM 976 N GLU A 74 11.183 -1.003 -7.315 1.00 0.00 N ATOM 977 CA GLU A 74 11.659 0.368 -7.385 1.00 0.00 C ATOM 978 C GLU A 74 10.553 1.337 -6.959 1.00 0.00 C ATOM 979 O GLU A 74 9.521 1.433 -7.621 1.00 0.00 O ATOM 980 CB GLU A 74 12.169 0.701 -8.789 1.00 0.00 C ATOM 981 CG GLU A 74 12.842 2.074 -8.816 1.00 0.00 C ATOM 982 CD GLU A 74 12.879 2.641 -10.236 1.00 0.00 C ATOM 983 OE1 GLU A 74 11.948 3.405 -10.567 1.00 0.00 O ATOM 984 OE2 GLU A 74 13.838 2.293 -10.961 1.00 0.00 O ATOM 0 H GLU A 74 10.818 -1.372 -8.193 1.00 0.00 H new ATOM 0 HA GLU A 74 12.496 0.477 -6.695 1.00 0.00 H new ATOM 0 HB2 GLU A 74 12.877 -0.062 -9.113 1.00 0.00 H new ATOM 0 HB3 GLU A 74 11.339 0.685 -9.495 1.00 0.00 H new ATOM 0 HG2 GLU A 74 12.304 2.759 -8.161 1.00 0.00 H new ATOM 0 HG3 GLU A 74 13.857 1.993 -8.427 1.00 0.00 H new ATOM 992 N GLY A 75 10.807 2.026 -5.857 1.00 0.00 N ATOM 993 CA GLY A 75 9.847 2.984 -5.337 1.00 0.00 C ATOM 994 C GLY A 75 10.088 4.378 -5.919 1.00 0.00 C ATOM 995 O GLY A 75 11.028 4.578 -6.687 1.00 0.00 O ATOM 0 H GLY A 75 11.664 1.940 -5.310 1.00 0.00 H new ATOM 0 HA2 GLY A 75 8.835 2.656 -5.577 1.00 0.00 H new ATOM 0 HA3 GLY A 75 9.920 3.023 -4.250 1.00 0.00 H new ATOM 999 N PHE A 76 9.224 5.303 -5.532 1.00 0.00 N ATOM 1000 CA PHE A 76 9.332 6.673 -6.005 1.00 0.00 C ATOM 1001 C PHE A 76 8.866 7.663 -4.936 1.00 0.00 C ATOM 1002 O PHE A 76 7.992 7.344 -4.129 1.00 0.00 O ATOM 1003 CB PHE A 76 8.423 6.795 -7.230 1.00 0.00 C ATOM 1004 CG PHE A 76 8.571 5.650 -8.232 1.00 0.00 C ATOM 1005 CD1 PHE A 76 8.050 4.426 -7.948 1.00 0.00 C ATOM 1006 CD2 PHE A 76 9.224 5.854 -9.407 1.00 0.00 C ATOM 1007 CE1 PHE A 76 8.187 3.360 -8.879 1.00 0.00 C ATOM 1008 CE2 PHE A 76 9.361 4.790 -10.338 1.00 0.00 C ATOM 1009 CZ PHE A 76 8.840 3.567 -10.055 1.00 0.00 C ATOM 0 H PHE A 76 8.445 5.132 -4.896 1.00 0.00 H new ATOM 0 HA PHE A 76 10.370 6.903 -6.244 1.00 0.00 H new ATOM 0 HB2 PHE A 76 7.386 6.841 -6.897 1.00 0.00 H new ATOM 0 HB3 PHE A 76 8.637 7.736 -7.736 1.00 0.00 H new ATOM 0 HD1 PHE A 76 7.532 4.264 -7.014 1.00 0.00 H new ATOM 0 HD2 PHE A 76 9.639 6.825 -9.633 1.00 0.00 H new ATOM 0 HE1 PHE A 76 7.774 2.388 -8.653 1.00 0.00 H new ATOM 0 HE2 PHE A 76 9.879 4.953 -11.271 1.00 0.00 H new ATOM 0 HZ PHE A 76 8.944 2.759 -10.764 1.00 0.00 H new ATOM 1019 N LEU A 77 9.466 8.843 -4.964 1.00 0.00 N ATOM 1020 CA LEU A 77 9.122 9.881 -4.007 1.00 0.00 C ATOM 1021 C LEU A 77 7.995 10.743 -4.579 1.00 0.00 C ATOM 1022 O LEU A 77 7.803 10.795 -5.794 1.00 0.00 O ATOM 1023 CB LEU A 77 10.365 10.679 -3.613 1.00 0.00 C ATOM 1024 CG LEU A 77 11.631 9.861 -3.348 1.00 0.00 C ATOM 1025 CD1 LEU A 77 12.756 10.748 -2.808 1.00 0.00 C ATOM 1026 CD2 LEU A 77 11.339 8.681 -2.421 1.00 0.00 C ATOM 0 H LEU A 77 10.189 9.104 -5.635 1.00 0.00 H new ATOM 0 HA LEU A 77 8.749 9.439 -3.083 1.00 0.00 H new ATOM 0 HB2 LEU A 77 10.579 11.396 -4.406 1.00 0.00 H new ATOM 0 HB3 LEU A 77 10.134 11.255 -2.717 1.00 0.00 H new ATOM 0 HG LEU A 77 11.973 9.448 -4.297 1.00 0.00 H new ATOM 0 HD11 LEU A 77 13.643 10.141 -2.629 1.00 0.00 H new ATOM 0 HD12 LEU A 77 12.989 11.525 -3.537 1.00 0.00 H new ATOM 0 HD13 LEU A 77 12.438 11.211 -1.874 1.00 0.00 H new ATOM 0 HD21 LEU A 77 12.256 8.117 -2.250 1.00 0.00 H new ATOM 0 HD22 LEU A 77 10.958 9.052 -1.469 1.00 0.00 H new ATOM 0 HD23 LEU A 77 10.595 8.032 -2.882 1.00 0.00 H new ATOM 1038 N PHE A 78 7.277 11.397 -3.678 1.00 0.00 N ATOM 1039 CA PHE A 78 6.174 12.253 -4.078 1.00 0.00 C ATOM 1040 C PHE A 78 6.647 13.690 -4.304 1.00 0.00 C ATOM 1041 O PHE A 78 6.018 14.446 -5.041 1.00 0.00 O ATOM 1042 CB PHE A 78 5.158 12.239 -2.932 1.00 0.00 C ATOM 1043 CG PHE A 78 5.479 13.220 -1.805 1.00 0.00 C ATOM 1044 CD1 PHE A 78 6.268 12.829 -0.768 1.00 0.00 C ATOM 1045 CD2 PHE A 78 4.977 14.483 -1.838 1.00 0.00 C ATOM 1046 CE1 PHE A 78 6.567 13.739 0.281 1.00 0.00 C ATOM 1047 CE2 PHE A 78 5.275 15.393 -0.789 1.00 0.00 C ATOM 1048 CZ PHE A 78 6.063 15.003 0.246 1.00 0.00 C ATOM 0 H PHE A 78 7.438 11.351 -2.672 1.00 0.00 H new ATOM 0 HA PHE A 78 5.742 11.890 -5.011 1.00 0.00 H new ATOM 0 HB2 PHE A 78 4.171 12.471 -3.332 1.00 0.00 H new ATOM 0 HB3 PHE A 78 5.105 11.232 -2.519 1.00 0.00 H new ATOM 0 HD1 PHE A 78 6.667 11.826 -0.742 1.00 0.00 H new ATOM 0 HD2 PHE A 78 4.352 14.794 -2.662 1.00 0.00 H new ATOM 0 HE1 PHE A 78 7.193 13.429 1.105 1.00 0.00 H new ATOM 0 HE2 PHE A 78 4.875 16.396 -0.814 1.00 0.00 H new ATOM 0 HZ PHE A 78 6.290 15.696 1.042 1.00 0.00 H new ATOM 1058 N ASP A 79 7.755 14.021 -3.657 1.00 0.00 N ATOM 1059 CA ASP A 79 8.323 15.354 -3.779 1.00 0.00 C ATOM 1060 C ASP A 79 8.750 15.591 -5.228 1.00 0.00 C ATOM 1061 O ASP A 79 8.409 16.613 -5.821 1.00 0.00 O ATOM 1062 CB ASP A 79 9.559 15.509 -2.890 1.00 0.00 C ATOM 1063 CG ASP A 79 9.721 16.888 -2.247 1.00 0.00 C ATOM 1064 OD1 ASP A 79 10.612 17.006 -1.375 1.00 0.00 O ATOM 1065 OD2 ASP A 79 8.955 17.791 -2.639 1.00 0.00 O ATOM 0 H ASP A 79 8.275 13.390 -3.047 1.00 0.00 H new ATOM 0 HA ASP A 79 7.564 16.074 -3.471 1.00 0.00 H new ATOM 0 HB2 ASP A 79 9.517 14.759 -2.100 1.00 0.00 H new ATOM 0 HB3 ASP A 79 10.446 15.296 -3.486 1.00 0.00 H new ATOM 1071 N GLY A 80 9.492 14.629 -5.758 1.00 0.00 N ATOM 1072 CA GLY A 80 9.970 14.721 -7.126 1.00 0.00 C ATOM 1073 C GLY A 80 11.106 13.725 -7.380 1.00 0.00 C ATOM 1074 O GLY A 80 11.301 13.276 -8.507 1.00 0.00 O ATOM 0 H GLY A 80 9.773 13.782 -5.264 1.00 0.00 H new ATOM 0 HA2 GLY A 80 9.149 14.525 -7.816 1.00 0.00 H new ATOM 0 HA3 GLY A 80 10.319 15.734 -7.326 1.00 0.00 H new ATOM 1078 N THR A 81 11.825 13.414 -6.311 1.00 0.00 N ATOM 1079 CA THR A 81 12.934 12.481 -6.402 1.00 0.00 C ATOM 1080 C THR A 81 12.418 11.046 -6.512 1.00 0.00 C ATOM 1081 O THR A 81 11.220 10.802 -6.377 1.00 0.00 O ATOM 1082 CB THR A 81 13.844 12.709 -5.191 1.00 0.00 C ATOM 1083 OG1 THR A 81 14.334 14.034 -5.368 1.00 0.00 O ATOM 1084 CG2 THR A 81 15.101 11.836 -5.232 1.00 0.00 C ATOM 0 H THR A 81 11.661 13.792 -5.378 1.00 0.00 H new ATOM 0 HA THR A 81 13.520 12.651 -7.305 1.00 0.00 H new ATOM 0 HB THR A 81 13.289 12.503 -4.276 1.00 0.00 H new ATOM 0 HG1 THR A 81 14.931 14.264 -4.626 1.00 0.00 H new ATOM 0 HG21 THR A 81 15.712 12.036 -4.352 1.00 0.00 H new ATOM 0 HG22 THR A 81 14.814 10.785 -5.243 1.00 0.00 H new ATOM 0 HG23 THR A 81 15.674 12.065 -6.131 1.00 0.00 H new ATOM 1092 N ARG A 82 13.346 10.135 -6.760 1.00 0.00 N ATOM 1093 CA ARG A 82 13.001 8.729 -6.891 1.00 0.00 C ATOM 1094 C ARG A 82 13.449 7.954 -5.652 1.00 0.00 C ATOM 1095 O ARG A 82 14.346 8.392 -4.932 1.00 0.00 O ATOM 1096 CB ARG A 82 13.650 8.115 -8.132 1.00 0.00 C ATOM 1097 CG ARG A 82 12.638 7.977 -9.271 1.00 0.00 C ATOM 1098 CD ARG A 82 13.119 8.712 -10.525 1.00 0.00 C ATOM 1099 NE ARG A 82 12.322 9.941 -10.727 1.00 0.00 N ATOM 1100 CZ ARG A 82 12.602 10.874 -11.647 1.00 0.00 C ATOM 1101 NH1 ARG A 82 13.661 10.724 -12.454 1.00 0.00 N ATOM 1102 NH2 ARG A 82 11.824 11.959 -11.760 1.00 0.00 N ATOM 0 H ARG A 82 14.338 10.343 -6.874 1.00 0.00 H new ATOM 0 HA ARG A 82 11.918 8.662 -6.992 1.00 0.00 H new ATOM 0 HB2 ARG A 82 14.484 8.738 -8.456 1.00 0.00 H new ATOM 0 HB3 ARG A 82 14.060 7.136 -7.885 1.00 0.00 H new ATOM 0 HG2 ARG A 82 12.484 6.922 -9.500 1.00 0.00 H new ATOM 0 HG3 ARG A 82 11.675 8.379 -8.957 1.00 0.00 H new ATOM 0 HD2 ARG A 82 14.175 8.965 -10.426 1.00 0.00 H new ATOM 0 HD3 ARG A 82 13.028 8.062 -11.395 1.00 0.00 H new ATOM 0 HE ARG A 82 11.509 10.088 -10.129 1.00 0.00 H new ATOM 0 HH11 ARG A 82 14.255 9.899 -12.368 1.00 0.00 H new ATOM 0 HH12 ARG A 82 13.873 11.435 -13.154 1.00 0.00 H new ATOM 0 HH21 ARG A 82 11.018 12.075 -11.145 1.00 0.00 H new ATOM 0 HH22 ARG A 82 12.038 12.669 -12.461 1.00 0.00 H new ATOM 1116 N TRP A 83 12.806 6.815 -5.439 1.00 0.00 N ATOM 1117 CA TRP A 83 13.128 5.973 -4.300 1.00 0.00 C ATOM 1118 C TRP A 83 13.947 4.784 -4.805 1.00 0.00 C ATOM 1119 O TRP A 83 15.175 4.842 -4.844 1.00 0.00 O ATOM 1120 CB TRP A 83 11.862 5.552 -3.552 1.00 0.00 C ATOM 1121 CG TRP A 83 12.056 4.355 -2.622 1.00 0.00 C ATOM 1122 CD1 TRP A 83 13.208 3.793 -2.230 1.00 0.00 C ATOM 1123 CD2 TRP A 83 11.017 3.589 -1.975 1.00 0.00 C ATOM 1124 NE1 TRP A 83 12.989 2.727 -1.382 1.00 0.00 N ATOM 1125 CE2 TRP A 83 11.615 2.598 -1.223 1.00 0.00 C ATOM 1126 CE3 TRP A 83 9.619 3.730 -2.025 1.00 0.00 C ATOM 1127 CZ2 TRP A 83 10.890 1.672 -0.463 1.00 0.00 C ATOM 1128 CZ3 TRP A 83 8.910 2.796 -1.261 1.00 0.00 C ATOM 1129 CH2 TRP A 83 9.495 1.792 -0.497 1.00 0.00 C ATOM 0 H TRP A 83 12.062 6.455 -6.037 1.00 0.00 H new ATOM 0 HA TRP A 83 13.726 6.523 -3.573 1.00 0.00 H new ATOM 0 HB2 TRP A 83 11.500 6.398 -2.967 1.00 0.00 H new ATOM 0 HB3 TRP A 83 11.086 5.312 -4.279 1.00 0.00 H new ATOM 0 HD1 TRP A 83 14.186 4.132 -2.539 1.00 0.00 H new ATOM 0 HE1 TRP A 83 13.704 2.141 -0.951 1.00 0.00 H new ATOM 0 HE3 TRP A 83 9.131 4.498 -2.607 1.00 0.00 H new ATOM 0 HZ2 TRP A 83 11.381 0.906 0.119 1.00 0.00 H new ATOM 0 HZ3 TRP A 83 7.832 2.859 -1.265 1.00 0.00 H new ATOM 0 HH2 TRP A 83 8.877 1.109 0.067 1.00 0.00 H new ATOM 1140 N GLY A 84 13.234 3.733 -5.182 1.00 0.00 N ATOM 1141 CA GLY A 84 13.879 2.532 -5.684 1.00 0.00 C ATOM 1142 C GLY A 84 14.041 1.491 -4.575 1.00 0.00 C ATOM 1143 O GLY A 84 13.054 0.942 -4.084 1.00 0.00 O ATOM 0 H GLY A 84 12.215 3.688 -5.150 1.00 0.00 H new ATOM 0 HA2 GLY A 84 13.289 2.112 -6.499 1.00 0.00 H new ATOM 0 HA3 GLY A 84 14.856 2.785 -6.096 1.00 0.00 H new ATOM 1147 N THR A 85 15.292 1.251 -4.209 1.00 0.00 N ATOM 1148 CA THR A 85 15.595 0.286 -3.167 1.00 0.00 C ATOM 1149 C THR A 85 15.492 -1.140 -3.712 1.00 0.00 C ATOM 1150 O THR A 85 16.468 -1.888 -3.696 1.00 0.00 O ATOM 1151 CB THR A 85 14.657 0.554 -1.986 1.00 0.00 C ATOM 1152 OG1 THR A 85 15.207 1.711 -1.363 1.00 0.00 O ATOM 1153 CG2 THR A 85 14.748 -0.529 -0.910 1.00 0.00 C ATOM 0 H THR A 85 16.107 1.709 -4.616 1.00 0.00 H new ATOM 0 HA THR A 85 16.622 0.393 -2.817 1.00 0.00 H new ATOM 0 HB THR A 85 13.630 0.623 -2.345 1.00 0.00 H new ATOM 0 HG1 THR A 85 14.873 2.515 -1.813 1.00 0.00 H new ATOM 0 HG21 THR A 85 14.064 -0.291 -0.096 1.00 0.00 H new ATOM 0 HG22 THR A 85 14.479 -1.493 -1.341 1.00 0.00 H new ATOM 0 HG23 THR A 85 15.767 -0.575 -0.526 1.00 0.00 H new ATOM 1161 N VAL A 86 14.299 -1.473 -4.183 1.00 0.00 N ATOM 1162 CA VAL A 86 14.055 -2.797 -4.733 1.00 0.00 C ATOM 1163 C VAL A 86 13.706 -3.760 -3.598 1.00 0.00 C ATOM 1164 O VAL A 86 13.222 -4.864 -3.841 1.00 0.00 O ATOM 1165 CB VAL A 86 15.263 -3.253 -5.554 1.00 0.00 C ATOM 1166 CG1 VAL A 86 14.881 -4.384 -6.511 1.00 0.00 C ATOM 1167 CG2 VAL A 86 15.885 -2.079 -6.313 1.00 0.00 C ATOM 0 H VAL A 86 13.491 -0.850 -4.195 1.00 0.00 H new ATOM 0 HA VAL A 86 13.204 -2.777 -5.414 1.00 0.00 H new ATOM 0 HB VAL A 86 16.012 -3.639 -4.862 1.00 0.00 H new ATOM 0 HG11 VAL A 86 15.758 -4.689 -7.082 1.00 0.00 H new ATOM 0 HG12 VAL A 86 14.507 -5.233 -5.940 1.00 0.00 H new ATOM 0 HG13 VAL A 86 14.106 -4.036 -7.194 1.00 0.00 H new ATOM 0 HG21 VAL A 86 16.741 -2.431 -6.888 1.00 0.00 H new ATOM 0 HG22 VAL A 86 15.145 -1.650 -6.989 1.00 0.00 H new ATOM 0 HG23 VAL A 86 16.212 -1.319 -5.603 1.00 0.00 H new ATOM 1177 N ASP A 87 13.967 -3.308 -2.379 1.00 0.00 N ATOM 1178 CA ASP A 87 13.685 -4.114 -1.205 1.00 0.00 C ATOM 1179 C ASP A 87 13.182 -3.212 -0.078 1.00 0.00 C ATOM 1180 O ASP A 87 13.977 -2.596 0.631 1.00 0.00 O ATOM 1181 CB ASP A 87 14.946 -4.828 -0.712 1.00 0.00 C ATOM 1182 CG ASP A 87 14.713 -5.881 0.371 1.00 0.00 C ATOM 1183 OD1 ASP A 87 13.561 -6.358 0.461 1.00 0.00 O ATOM 1184 OD2 ASP A 87 15.691 -6.188 1.087 1.00 0.00 O ATOM 0 H ASP A 87 14.371 -2.393 -2.180 1.00 0.00 H new ATOM 0 HA ASP A 87 12.933 -4.855 -1.478 1.00 0.00 H new ATOM 0 HB2 ASP A 87 15.431 -5.306 -1.563 1.00 0.00 H new ATOM 0 HB3 ASP A 87 15.641 -4.081 -0.328 1.00 0.00 H new ATOM 1190 N CYS A 88 11.864 -3.159 0.053 1.00 0.00 N ATOM 1191 CA CYS A 88 11.245 -2.341 1.081 1.00 0.00 C ATOM 1192 C CYS A 88 11.138 -3.177 2.360 1.00 0.00 C ATOM 1193 O CYS A 88 10.054 -3.315 2.925 1.00 0.00 O ATOM 1194 CB CYS A 88 9.886 -1.804 0.634 1.00 0.00 C ATOM 1195 SG CYS A 88 8.927 -0.955 1.942 1.00 0.00 S ATOM 0 H CYS A 88 11.208 -3.670 -0.537 1.00 0.00 H new ATOM 0 HA CYS A 88 11.862 -1.463 1.273 1.00 0.00 H new ATOM 0 HB2 CYS A 88 10.039 -1.110 -0.193 1.00 0.00 H new ATOM 0 HB3 CYS A 88 9.293 -2.633 0.248 1.00 0.00 H new ATOM 1200 N THR A 89 12.276 -3.711 2.776 1.00 0.00 N ATOM 1201 CA THR A 89 12.323 -4.527 3.977 1.00 0.00 C ATOM 1202 C THR A 89 12.798 -3.696 5.170 1.00 0.00 C ATOM 1203 O THR A 89 12.717 -4.141 6.314 1.00 0.00 O ATOM 1204 CB THR A 89 13.212 -5.739 3.689 1.00 0.00 C ATOM 1205 OG1 THR A 89 13.118 -6.528 4.873 1.00 0.00 O ATOM 1206 CG2 THR A 89 14.695 -5.371 3.605 1.00 0.00 C ATOM 0 H THR A 89 13.172 -3.595 2.303 1.00 0.00 H new ATOM 0 HA THR A 89 11.331 -4.888 4.248 1.00 0.00 H new ATOM 0 HB THR A 89 12.899 -6.204 2.754 1.00 0.00 H new ATOM 0 HG1 THR A 89 13.060 -5.940 5.655 1.00 0.00 H new ATOM 0 HG21 THR A 89 15.281 -6.267 3.399 1.00 0.00 H new ATOM 0 HG22 THR A 89 14.845 -4.647 2.804 1.00 0.00 H new ATOM 0 HG23 THR A 89 15.016 -4.937 4.552 1.00 0.00 H new ATOM 1214 N THR A 90 13.282 -2.501 4.864 1.00 0.00 N ATOM 1215 CA THR A 90 13.769 -1.602 5.896 1.00 0.00 C ATOM 1216 C THR A 90 12.629 -0.729 6.424 1.00 0.00 C ATOM 1217 O THR A 90 12.380 -0.689 7.628 1.00 0.00 O ATOM 1218 CB THR A 90 14.930 -0.797 5.313 1.00 0.00 C ATOM 1219 OG1 THR A 90 16.030 -1.704 5.335 1.00 0.00 O ATOM 1220 CG2 THR A 90 15.373 0.346 6.230 1.00 0.00 C ATOM 0 H THR A 90 13.347 -2.134 3.914 1.00 0.00 H new ATOM 0 HA THR A 90 14.140 -2.155 6.759 1.00 0.00 H new ATOM 0 HB THR A 90 14.637 -0.392 4.344 1.00 0.00 H new ATOM 0 HG1 THR A 90 16.826 -1.262 4.971 1.00 0.00 H new ATOM 0 HG21 THR A 90 16.200 0.884 5.767 1.00 0.00 H new ATOM 0 HG22 THR A 90 14.539 1.029 6.389 1.00 0.00 H new ATOM 0 HG23 THR A 90 15.696 -0.061 7.188 1.00 0.00 H new ATOM 1228 N ALA A 91 11.969 -0.053 5.498 1.00 0.00 N ATOM 1229 CA ALA A 91 10.861 0.818 5.855 1.00 0.00 C ATOM 1230 C ALA A 91 9.555 0.024 5.799 1.00 0.00 C ATOM 1231 O ALA A 91 9.349 -0.780 4.890 1.00 0.00 O ATOM 1232 CB ALA A 91 10.843 2.032 4.923 1.00 0.00 C ATOM 0 H ALA A 91 12.179 -0.090 4.500 1.00 0.00 H new ATOM 0 HA ALA A 91 10.979 1.189 6.873 1.00 0.00 H new ATOM 0 HB1 ALA A 91 10.012 2.684 5.191 1.00 0.00 H new ATOM 0 HB2 ALA A 91 11.780 2.580 5.021 1.00 0.00 H new ATOM 0 HB3 ALA A 91 10.724 1.698 3.892 1.00 0.00 H new ATOM 1238 N ALA A 92 8.704 0.272 6.786 1.00 0.00 N ATOM 1239 CA ALA A 92 7.424 -0.412 6.863 1.00 0.00 C ATOM 1240 C ALA A 92 6.510 0.102 5.748 1.00 0.00 C ATOM 1241 O ALA A 92 6.119 1.268 5.748 1.00 0.00 O ATOM 1242 CB ALA A 92 6.819 -0.207 8.252 1.00 0.00 C ATOM 0 H ALA A 92 8.877 0.938 7.539 1.00 0.00 H new ATOM 0 HA ALA A 92 7.552 -1.485 6.718 1.00 0.00 H new ATOM 0 HB1 ALA A 92 5.859 -0.720 8.310 1.00 0.00 H new ATOM 0 HB2 ALA A 92 7.493 -0.613 9.006 1.00 0.00 H new ATOM 0 HB3 ALA A 92 6.673 0.858 8.432 1.00 0.00 H new ATOM 1248 N CYS A 93 6.198 -0.792 4.822 1.00 0.00 N ATOM 1249 CA CYS A 93 5.339 -0.443 3.704 1.00 0.00 C ATOM 1250 C CYS A 93 3.888 -0.709 4.113 1.00 0.00 C ATOM 1251 O CYS A 93 3.558 -1.801 4.571 1.00 0.00 O ATOM 1252 CB CYS A 93 5.721 -1.210 2.435 1.00 0.00 C ATOM 1253 SG CYS A 93 7.377 -1.986 2.481 1.00 0.00 S ATOM 0 H CYS A 93 6.525 -1.758 4.823 1.00 0.00 H new ATOM 0 HA CYS A 93 5.462 0.613 3.464 1.00 0.00 H new ATOM 0 HB2 CYS A 93 4.976 -1.986 2.257 1.00 0.00 H new ATOM 0 HB3 CYS A 93 5.678 -0.527 1.587 1.00 0.00 H new ATOM 1258 N GLN A 94 3.060 0.311 3.935 1.00 0.00 N ATOM 1259 CA GLN A 94 1.652 0.200 4.279 1.00 0.00 C ATOM 1260 C GLN A 94 0.804 0.081 3.012 1.00 0.00 C ATOM 1261 O GLN A 94 0.847 0.953 2.147 1.00 0.00 O ATOM 1262 CB GLN A 94 1.203 1.393 5.129 1.00 0.00 C ATOM 1263 CG GLN A 94 0.420 2.401 4.287 1.00 0.00 C ATOM 1264 CD GLN A 94 0.031 3.624 5.121 1.00 0.00 C ATOM 1265 OE1 GLN A 94 -1.106 3.792 5.531 1.00 0.00 O ATOM 1266 NE2 GLN A 94 1.035 4.467 5.348 1.00 0.00 N ATOM 0 H GLN A 94 3.337 1.217 3.557 1.00 0.00 H new ATOM 0 HA GLN A 94 1.511 -0.703 4.872 1.00 0.00 H new ATOM 0 HB2 GLN A 94 0.583 1.043 5.954 1.00 0.00 H new ATOM 0 HB3 GLN A 94 2.074 1.879 5.569 1.00 0.00 H new ATOM 0 HG2 GLN A 94 1.022 2.714 3.434 1.00 0.00 H new ATOM 0 HG3 GLN A 94 -0.477 1.928 3.887 1.00 0.00 H new ATOM 0 HE21 GLN A 94 1.963 4.267 4.976 1.00 0.00 H new ATOM 0 HE22 GLN A 94 0.876 5.314 5.894 1.00 0.00 H new ATOM 1275 N VAL A 95 0.053 -1.010 2.944 1.00 0.00 N ATOM 1276 CA VAL A 95 -0.805 -1.255 1.797 1.00 0.00 C ATOM 1277 C VAL A 95 -2.183 -0.642 2.055 1.00 0.00 C ATOM 1278 O VAL A 95 -2.862 -1.012 3.012 1.00 0.00 O ATOM 1279 CB VAL A 95 -0.863 -2.756 1.500 1.00 0.00 C ATOM 1280 CG1 VAL A 95 -1.592 -3.026 0.183 1.00 0.00 C ATOM 1281 CG2 VAL A 95 0.537 -3.368 1.487 1.00 0.00 C ATOM 0 H VAL A 95 0.021 -1.732 3.663 1.00 0.00 H new ATOM 0 HA VAL A 95 -0.399 -0.776 0.906 1.00 0.00 H new ATOM 0 HB VAL A 95 -1.428 -3.234 2.300 1.00 0.00 H new ATOM 0 HG11 VAL A 95 -1.619 -4.099 -0.004 1.00 0.00 H new ATOM 0 HG12 VAL A 95 -2.610 -2.643 0.246 1.00 0.00 H new ATOM 0 HG13 VAL A 95 -1.067 -2.529 -0.632 1.00 0.00 H new ATOM 0 HG21 VAL A 95 0.466 -4.435 1.274 1.00 0.00 H new ATOM 0 HG22 VAL A 95 1.139 -2.884 0.718 1.00 0.00 H new ATOM 0 HG23 VAL A 95 1.006 -3.223 2.460 1.00 0.00 H new ATOM 1291 N GLY A 96 -2.555 0.285 1.185 1.00 0.00 N ATOM 1292 CA GLY A 96 -3.840 0.953 1.306 1.00 0.00 C ATOM 1293 C GLY A 96 -4.122 1.824 0.081 1.00 0.00 C ATOM 1294 O GLY A 96 -3.311 1.888 -0.840 1.00 0.00 O ATOM 0 H GLY A 96 -1.989 0.590 0.393 1.00 0.00 H new ATOM 0 HA2 GLY A 96 -4.630 0.211 1.419 1.00 0.00 H new ATOM 0 HA3 GLY A 96 -3.850 1.569 2.205 1.00 0.00 H new ATOM 1298 N LEU A 97 -5.276 2.476 0.112 1.00 0.00 N ATOM 1299 CA LEU A 97 -5.676 3.342 -0.984 1.00 0.00 C ATOM 1300 C LEU A 97 -5.500 4.802 -0.566 1.00 0.00 C ATOM 1301 O LEU A 97 -5.788 5.163 0.575 1.00 0.00 O ATOM 1302 CB LEU A 97 -7.094 3.000 -1.447 1.00 0.00 C ATOM 1303 CG LEU A 97 -8.157 2.922 -0.348 1.00 0.00 C ATOM 1304 CD1 LEU A 97 -8.004 1.639 0.473 1.00 0.00 C ATOM 1305 CD2 LEU A 97 -8.129 4.173 0.532 1.00 0.00 C ATOM 0 H LEU A 97 -5.946 2.422 0.879 1.00 0.00 H new ATOM 0 HA LEU A 97 -5.035 3.180 -1.851 1.00 0.00 H new ATOM 0 HB2 LEU A 97 -7.407 3.747 -2.176 1.00 0.00 H new ATOM 0 HB3 LEU A 97 -7.065 2.042 -1.966 1.00 0.00 H new ATOM 0 HG LEU A 97 -9.137 2.885 -0.823 1.00 0.00 H new ATOM 0 HD11 LEU A 97 -8.771 1.608 1.247 1.00 0.00 H new ATOM 0 HD12 LEU A 97 -8.113 0.774 -0.181 1.00 0.00 H new ATOM 0 HD13 LEU A 97 -7.019 1.620 0.938 1.00 0.00 H new ATOM 0 HD21 LEU A 97 -8.894 4.092 1.304 1.00 0.00 H new ATOM 0 HD22 LEU A 97 -7.149 4.267 1.000 1.00 0.00 H new ATOM 0 HD23 LEU A 97 -8.324 5.053 -0.081 1.00 0.00 H new ATOM 1317 N SER A 98 -5.028 5.603 -1.510 1.00 0.00 N ATOM 1318 CA SER A 98 -4.810 7.015 -1.252 1.00 0.00 C ATOM 1319 C SER A 98 -5.883 7.848 -1.960 1.00 0.00 C ATOM 1320 O SER A 98 -6.473 7.401 -2.940 1.00 0.00 O ATOM 1321 CB SER A 98 -3.416 7.451 -1.708 1.00 0.00 C ATOM 1322 OG SER A 98 -3.320 7.533 -3.128 1.00 0.00 O ATOM 0 H SER A 98 -4.791 5.300 -2.455 1.00 0.00 H new ATOM 0 HA SER A 98 -4.879 7.180 -0.177 1.00 0.00 H new ATOM 0 HB2 SER A 98 -3.179 8.421 -1.272 1.00 0.00 H new ATOM 0 HB3 SER A 98 -2.675 6.744 -1.335 1.00 0.00 H new ATOM 0 HG SER A 98 -2.416 7.816 -3.379 1.00 0.00 H new ATOM 1328 N ASP A 99 -6.102 9.043 -1.431 1.00 0.00 N ATOM 1329 CA ASP A 99 -7.091 9.941 -1.999 1.00 0.00 C ATOM 1330 C ASP A 99 -6.608 10.430 -3.367 1.00 0.00 C ATOM 1331 O ASP A 99 -5.422 10.335 -3.678 1.00 0.00 O ATOM 1332 CB ASP A 99 -7.301 11.166 -1.107 1.00 0.00 C ATOM 1333 CG ASP A 99 -7.124 10.914 0.391 1.00 0.00 C ATOM 1334 OD1 ASP A 99 -7.123 11.914 1.141 1.00 0.00 O ATOM 1335 OD2 ASP A 99 -6.994 9.724 0.754 1.00 0.00 O ATOM 0 H ASP A 99 -5.611 9.409 -0.615 1.00 0.00 H new ATOM 0 HA ASP A 99 -8.029 9.393 -2.087 1.00 0.00 H new ATOM 0 HB2 ASP A 99 -6.602 11.944 -1.414 1.00 0.00 H new ATOM 0 HB3 ASP A 99 -8.305 11.554 -1.279 1.00 0.00 H new ATOM 1341 N ALA A 100 -7.551 10.940 -4.145 1.00 0.00 N ATOM 1342 CA ALA A 100 -7.235 11.443 -5.471 1.00 0.00 C ATOM 1343 C ALA A 100 -6.845 12.919 -5.372 1.00 0.00 C ATOM 1344 O ALA A 100 -6.527 13.549 -6.381 1.00 0.00 O ATOM 1345 CB ALA A 100 -8.429 11.216 -6.399 1.00 0.00 C ATOM 0 H ALA A 100 -8.534 11.016 -3.883 1.00 0.00 H new ATOM 0 HA ALA A 100 -6.386 10.906 -5.894 1.00 0.00 H new ATOM 0 HB1 ALA A 100 -8.193 11.593 -7.394 1.00 0.00 H new ATOM 0 HB2 ALA A 100 -8.647 10.150 -6.457 1.00 0.00 H new ATOM 0 HB3 ALA A 100 -9.299 11.743 -6.008 1.00 0.00 H new ATOM 1351 N ALA A 101 -6.882 13.428 -4.150 1.00 0.00 N ATOM 1352 CA ALA A 101 -6.535 14.818 -3.906 1.00 0.00 C ATOM 1353 C ALA A 101 -5.018 14.945 -3.772 1.00 0.00 C ATOM 1354 O ALA A 101 -4.431 15.929 -4.220 1.00 0.00 O ATOM 1355 CB ALA A 101 -7.276 15.319 -2.666 1.00 0.00 C ATOM 0 H ALA A 101 -7.147 12.902 -3.317 1.00 0.00 H new ATOM 0 HA ALA A 101 -6.844 15.443 -4.744 1.00 0.00 H new ATOM 0 HB1 ALA A 101 -7.016 16.362 -2.483 1.00 0.00 H new ATOM 0 HB2 ALA A 101 -8.351 15.236 -2.826 1.00 0.00 H new ATOM 0 HB3 ALA A 101 -6.990 14.717 -1.803 1.00 0.00 H new ATOM 1361 N GLY A 102 -4.424 13.935 -3.151 1.00 0.00 N ATOM 1362 CA GLY A 102 -2.985 13.922 -2.952 1.00 0.00 C ATOM 1363 C GLY A 102 -2.636 13.627 -1.492 1.00 0.00 C ATOM 1364 O GLY A 102 -1.765 14.274 -0.914 1.00 0.00 O ATOM 0 H GLY A 102 -4.914 13.121 -2.780 1.00 0.00 H new ATOM 0 HA2 GLY A 102 -2.532 13.169 -3.597 1.00 0.00 H new ATOM 0 HA3 GLY A 102 -2.565 14.885 -3.242 1.00 0.00 H new ATOM 1368 N ASN A 103 -3.336 12.648 -0.935 1.00 0.00 N ATOM 1369 CA ASN A 103 -3.111 12.260 0.447 1.00 0.00 C ATOM 1370 C ASN A 103 -3.396 10.764 0.603 1.00 0.00 C ATOM 1371 O ASN A 103 -4.288 10.226 -0.051 1.00 0.00 O ATOM 1372 CB ASN A 103 -4.045 13.019 1.389 1.00 0.00 C ATOM 1373 CG ASN A 103 -4.044 14.517 1.073 1.00 0.00 C ATOM 1374 OD1 ASN A 103 -3.286 15.294 1.627 1.00 0.00 O ATOM 1375 ND2 ASN A 103 -4.936 14.875 0.155 1.00 0.00 N ATOM 0 H ASN A 103 -4.059 12.113 -1.416 1.00 0.00 H new ATOM 0 HA ASN A 103 -2.076 12.492 0.700 1.00 0.00 H new ATOM 0 HB2 ASN A 103 -5.057 12.625 1.298 1.00 0.00 H new ATOM 0 HB3 ASN A 103 -3.733 12.861 2.421 1.00 0.00 H new ATOM 0 HD21 ASN A 103 -5.016 15.853 -0.125 1.00 0.00 H new ATOM 0 HD22 ASN A 103 -5.541 14.172 -0.270 1.00 0.00 H new ATOM 1382 N GLY A 104 -2.620 10.135 1.475 1.00 0.00 N ATOM 1383 CA GLY A 104 -2.778 8.712 1.725 1.00 0.00 C ATOM 1384 C GLY A 104 -2.646 8.402 3.219 1.00 0.00 C ATOM 1385 O GLY A 104 -1.731 7.690 3.629 1.00 0.00 O ATOM 0 H GLY A 104 -1.881 10.584 2.016 1.00 0.00 H new ATOM 0 HA2 GLY A 104 -3.753 8.381 1.366 1.00 0.00 H new ATOM 0 HA3 GLY A 104 -2.026 8.155 1.166 1.00 0.00 H new ATOM 1389 N PRO A 105 -3.600 8.965 4.007 1.00 0.00 N ATOM 1390 CA PRO A 105 -3.598 8.755 5.447 1.00 0.00 C ATOM 1391 C PRO A 105 -4.092 7.349 5.795 1.00 0.00 C ATOM 1392 O PRO A 105 -3.759 6.817 6.852 1.00 0.00 O ATOM 1393 CB PRO A 105 -4.489 9.853 6.004 1.00 0.00 C ATOM 1394 CG PRO A 105 -5.325 10.347 4.832 1.00 0.00 C ATOM 1395 CD PRO A 105 -4.698 9.813 3.556 1.00 0.00 C ATOM 0 HA PRO A 105 -2.600 8.812 5.881 1.00 0.00 H new ATOM 0 HB2 PRO A 105 -5.124 9.472 6.804 1.00 0.00 H new ATOM 0 HB3 PRO A 105 -3.894 10.662 6.427 1.00 0.00 H new ATOM 0 HG2 PRO A 105 -6.355 10.002 4.925 1.00 0.00 H new ATOM 0 HG3 PRO A 105 -5.354 11.436 4.816 1.00 0.00 H new ATOM 0 HD2 PRO A 105 -5.420 9.246 2.968 1.00 0.00 H new ATOM 0 HD3 PRO A 105 -4.337 10.624 2.923 1.00 0.00 H new ATOM 1403 N GLU A 106 -4.875 6.788 4.886 1.00 0.00 N ATOM 1404 CA GLU A 106 -5.417 5.455 5.084 1.00 0.00 C ATOM 1405 C GLU A 106 -4.452 4.404 4.531 1.00 0.00 C ATOM 1406 O GLU A 106 -3.840 4.606 3.485 1.00 0.00 O ATOM 1407 CB GLU A 106 -6.798 5.324 4.442 1.00 0.00 C ATOM 1408 CG GLU A 106 -7.897 5.299 5.506 1.00 0.00 C ATOM 1409 CD GLU A 106 -8.760 6.560 5.433 1.00 0.00 C ATOM 1410 OE1 GLU A 106 -8.168 7.642 5.227 1.00 0.00 O ATOM 1411 OE2 GLU A 106 -9.992 6.414 5.586 1.00 0.00 O ATOM 0 H GLU A 106 -5.147 7.233 4.009 1.00 0.00 H new ATOM 0 HA GLU A 106 -5.534 5.286 6.154 1.00 0.00 H new ATOM 0 HB2 GLU A 106 -6.966 6.157 3.760 1.00 0.00 H new ATOM 0 HB3 GLU A 106 -6.842 4.411 3.848 1.00 0.00 H new ATOM 0 HG2 GLU A 106 -8.523 4.417 5.367 1.00 0.00 H new ATOM 0 HG3 GLU A 106 -7.448 5.218 6.496 1.00 0.00 H new ATOM 1419 N GLY A 107 -4.348 3.301 5.259 1.00 0.00 N ATOM 1420 CA GLY A 107 -3.470 2.217 4.854 1.00 0.00 C ATOM 1421 C GLY A 107 -2.994 1.415 6.068 1.00 0.00 C ATOM 1422 O GLY A 107 -2.837 1.965 7.157 1.00 0.00 O ATOM 0 H GLY A 107 -4.858 3.135 6.127 1.00 0.00 H new ATOM 0 HA2 GLY A 107 -3.994 1.559 4.161 1.00 0.00 H new ATOM 0 HA3 GLY A 107 -2.610 2.621 4.320 1.00 0.00 H new ATOM 1426 N VAL A 108 -2.777 0.128 5.839 1.00 0.00 N ATOM 1427 CA VAL A 108 -2.323 -0.756 6.898 1.00 0.00 C ATOM 1428 C VAL A 108 -0.841 -1.073 6.693 1.00 0.00 C ATOM 1429 O VAL A 108 -0.385 -1.213 5.556 1.00 0.00 O ATOM 1430 CB VAL A 108 -3.201 -2.007 6.951 1.00 0.00 C ATOM 1431 CG1 VAL A 108 -2.679 -3.083 5.998 1.00 0.00 C ATOM 1432 CG2 VAL A 108 -3.307 -2.543 8.380 1.00 0.00 C ATOM 0 H VAL A 108 -2.908 -0.324 4.934 1.00 0.00 H new ATOM 0 HA VAL A 108 -2.419 -0.268 7.868 1.00 0.00 H new ATOM 0 HB VAL A 108 -4.203 -1.728 6.624 1.00 0.00 H new ATOM 0 HG11 VAL A 108 -3.321 -3.962 6.055 1.00 0.00 H new ATOM 0 HG12 VAL A 108 -2.681 -2.698 4.978 1.00 0.00 H new ATOM 0 HG13 VAL A 108 -1.663 -3.357 6.281 1.00 0.00 H new ATOM 0 HG21 VAL A 108 -3.937 -3.433 8.389 1.00 0.00 H new ATOM 0 HG22 VAL A 108 -2.313 -2.798 8.747 1.00 0.00 H new ATOM 0 HG23 VAL A 108 -3.747 -1.781 9.023 1.00 0.00 H new ATOM 1442 N ALA A 109 -0.129 -1.178 7.804 1.00 0.00 N ATOM 1443 CA ALA A 109 1.292 -1.476 7.759 1.00 0.00 C ATOM 1444 C ALA A 109 1.485 -2.971 7.505 1.00 0.00 C ATOM 1445 O ALA A 109 1.414 -3.778 8.433 1.00 0.00 O ATOM 1446 CB ALA A 109 1.953 -1.014 9.057 1.00 0.00 C ATOM 0 H ALA A 109 -0.510 -1.062 8.743 1.00 0.00 H new ATOM 0 HA ALA A 109 1.772 -0.938 6.942 1.00 0.00 H new ATOM 0 HB1 ALA A 109 3.019 -1.238 9.022 1.00 0.00 H new ATOM 0 HB2 ALA A 109 1.812 0.060 9.175 1.00 0.00 H new ATOM 0 HB3 ALA A 109 1.500 -1.534 9.901 1.00 0.00 H new ATOM 1452 N ILE A 110 1.729 -3.300 6.244 1.00 0.00 N ATOM 1453 CA ILE A 110 1.933 -4.685 5.857 1.00 0.00 C ATOM 1454 C ILE A 110 3.428 -5.004 5.894 1.00 0.00 C ATOM 1455 O ILE A 110 4.255 -4.167 5.536 1.00 0.00 O ATOM 1456 CB ILE A 110 1.278 -4.965 4.502 1.00 0.00 C ATOM 1457 CG1 ILE A 110 0.202 -6.044 4.628 1.00 0.00 C ATOM 1458 CG2 ILE A 110 2.329 -5.322 3.448 1.00 0.00 C ATOM 1459 CD1 ILE A 110 0.733 -7.265 5.381 1.00 0.00 C ATOM 0 H ILE A 110 1.790 -2.630 5.477 1.00 0.00 H new ATOM 0 HA ILE A 110 1.445 -5.355 6.565 1.00 0.00 H new ATOM 0 HB ILE A 110 0.783 -4.054 4.166 1.00 0.00 H new ATOM 0 HG12 ILE A 110 -0.664 -5.639 5.151 1.00 0.00 H new ATOM 0 HG13 ILE A 110 -0.136 -6.343 3.636 1.00 0.00 H new ATOM 0 HG21 ILE A 110 1.837 -5.516 2.495 1.00 0.00 H new ATOM 0 HG22 ILE A 110 3.026 -4.492 3.334 1.00 0.00 H new ATOM 0 HG23 ILE A 110 2.873 -6.212 3.764 1.00 0.00 H new ATOM 0 HD11 ILE A 110 -0.053 -8.016 5.456 1.00 0.00 H new ATOM 0 HD12 ILE A 110 1.584 -7.683 4.843 1.00 0.00 H new ATOM 0 HD13 ILE A 110 1.047 -6.967 6.381 1.00 0.00 H new ATOM 1471 N SER A 111 3.730 -6.219 6.333 1.00 0.00 N ATOM 1472 CA SER A 111 5.112 -6.659 6.423 1.00 0.00 C ATOM 1473 C SER A 111 5.231 -7.806 7.428 1.00 0.00 C ATOM 1474 O SER A 111 5.556 -8.933 7.056 1.00 0.00 O ATOM 1475 CB SER A 111 6.033 -5.506 6.822 1.00 0.00 C ATOM 1476 OG SER A 111 6.657 -4.904 5.691 1.00 0.00 O ATOM 0 H SER A 111 3.042 -6.911 6.630 1.00 0.00 H new ATOM 0 HA SER A 111 5.423 -7.012 5.440 1.00 0.00 H new ATOM 0 HB2 SER A 111 5.458 -4.754 7.362 1.00 0.00 H new ATOM 0 HB3 SER A 111 6.799 -5.874 7.505 1.00 0.00 H new ATOM 0 HG SER A 111 6.000 -4.364 5.204 1.00 0.00 H new ATOM 1482 N PHE A 112 4.962 -7.480 8.684 1.00 0.00 N ATOM 1483 CA PHE A 112 5.034 -8.469 9.745 1.00 0.00 C ATOM 1484 C PHE A 112 3.995 -8.185 10.832 1.00 0.00 C ATOM 1485 O PHE A 112 3.867 -7.052 11.291 1.00 0.00 O ATOM 1486 CB PHE A 112 6.436 -8.368 10.356 1.00 0.00 C ATOM 1487 CG PHE A 112 6.567 -9.038 11.725 1.00 0.00 C ATOM 1488 CD1 PHE A 112 6.334 -10.370 11.856 1.00 0.00 C ATOM 1489 CD2 PHE A 112 6.914 -8.299 12.813 1.00 0.00 C ATOM 1490 CE1 PHE A 112 6.456 -10.992 13.126 1.00 0.00 C ATOM 1491 CE2 PHE A 112 7.037 -8.919 14.084 1.00 0.00 C ATOM 1492 CZ PHE A 112 6.805 -10.255 14.215 1.00 0.00 C ATOM 0 H PHE A 112 4.694 -6.545 8.990 1.00 0.00 H new ATOM 0 HA PHE A 112 4.836 -9.462 9.342 1.00 0.00 H new ATOM 0 HB2 PHE A 112 7.153 -8.820 9.671 1.00 0.00 H new ATOM 0 HB3 PHE A 112 6.705 -7.316 10.450 1.00 0.00 H new ATOM 0 HD1 PHE A 112 6.056 -10.956 10.993 1.00 0.00 H new ATOM 0 HD2 PHE A 112 7.096 -7.239 12.710 1.00 0.00 H new ATOM 0 HE1 PHE A 112 6.272 -12.051 13.228 1.00 0.00 H new ATOM 0 HE2 PHE A 112 7.314 -8.332 14.947 1.00 0.00 H new ATOM 0 HZ PHE A 112 6.898 -10.728 15.181 1.00 0.00 H new ATOM 1502 N ASN A 113 3.283 -9.234 11.211 1.00 0.00 N ATOM 1503 CA ASN A 113 2.257 -9.111 12.234 1.00 0.00 C ATOM 1504 C ASN A 113 2.817 -8.318 13.417 1.00 0.00 C ATOM 1505 O ASN A 113 2.058 -7.787 14.228 1.00 0.00 O ATOM 1506 CB ASN A 113 1.827 -10.486 12.750 1.00 0.00 C ATOM 1507 CG ASN A 113 0.774 -10.354 13.852 1.00 0.00 C ATOM 1508 OD1 ASN A 113 -0.407 -10.175 13.599 1.00 0.00 O ATOM 1509 ND2 ASN A 113 1.262 -10.450 15.084 1.00 0.00 N ATOM 0 H ASN A 113 3.395 -10.173 10.829 1.00 0.00 H new ATOM 0 HA ASN A 113 1.398 -8.606 11.792 1.00 0.00 H new ATOM 0 HB2 ASN A 113 1.425 -11.078 11.927 1.00 0.00 H new ATOM 0 HB3 ASN A 113 2.695 -11.022 13.134 1.00 0.00 H new ATOM 0 HD21 ASN A 113 0.638 -10.374 15.887 1.00 0.00 H new ATOM 0 HD22 ASN A 113 2.261 -10.600 15.227 1.00 0.00 H new TER 1516 ASN A 113 HETATM 1517 C1 NCZ A 130 0.633 7.014 0.883 1.00 0.00 C HETATM 1518 C6 NCZ A 130 0.297 6.571 -0.401 1.00 0.00 C HETATM 1519 C5 NCZ A 130 -0.440 5.374 -0.535 1.00 0.00 C HETATM 1520 C7 NCZ A 130 -0.782 4.877 -1.787 1.00 0.00 C HETATM 1521 C8 NCZ A 130 -0.359 5.547 -2.918 1.00 0.00 C HETATM 1522 C9 NCZ A 130 0.383 6.737 -2.814 1.00 0.00 C HETATM 1523 C10 NCZ A 130 0.692 7.301 -1.543 1.00 0.00 C HETATM 1524 C11 NCZ A 130 1.030 8.703 -1.452 1.00 0.00 C HETATM 1525 O3 NCZ A 130 1.536 9.279 -2.415 1.00 0.00 O HETATM 1526 O4 NCZ A 130 0.853 9.518 -0.243 1.00 0.00 O HETATM 1527 C12 NCZ A 130 1.356 10.897 -0.246 1.00 0.00 C HETATM 1528 C13 NCZ A 130 2.753 10.996 0.375 1.00 0.00 C HETATM 1529 C14 NCZ A 130 2.637 11.354 1.661 1.00 0.00 C HETATM 1530 C15 NCZ A 130 1.263 11.786 2.026 1.00 0.00 C HETATM 1531 C16 NCZ A 130 0.498 11.763 0.688 1.00 0.00 C HETATM 1532 O6 NCZ A 130 0.380 13.134 0.211 1.00 0.00 O HETATM 1533 O5 NCZ A 130 3.525 11.980 -0.316 1.00 0.00 O HETATM 1534 O2 NCZ A 130 0.763 7.355 -4.016 1.00 0.00 O HETATM 1535 C4 NCZ A 130 -0.831 4.710 0.605 1.00 0.00 C HETATM 1536 C3 NCZ A 130 -0.492 5.192 1.860 1.00 0.00 C HETATM 1537 C2 NCZ A 130 0.246 6.341 2.010 1.00 0.00 C HETATM 1538 O1 NCZ A 130 0.571 6.771 3.289 1.00 0.00 O HETATM 1539 C17 NCZ A 130 0.948 8.117 3.641 1.00 0.00 C HETATM 1540 C18 NCZ A 130 -1.650 3.459 0.554 1.00 0.00 C HETATM 0 H183 NCZ A 130 -2.598 3.665 0.056 1.00 0.00 H new HETATM 0 H182 NCZ A 130 -1.108 2.692 0.001 1.00 0.00 H new HETATM 0 H181 NCZ A 130 -1.841 3.108 1.568 1.00 0.00 H new HETATM 0 H173 NCZ A 130 1.845 8.400 3.089 1.00 0.00 H new HETATM 0 H172 NCZ A 130 0.137 8.800 3.389 1.00 0.00 H new HETATM 0 H171 NCZ A 130 1.148 8.171 4.711 1.00 0.00 H new HETATM 0 H8 NCZ A 130 -0.603 5.149 -3.903 1.00 0.00 H new HETATM 0 H7 NCZ A 130 -1.378 3.968 -1.875 1.00 0.00 H new HETATM 0 H6 NCZ A 130 -0.420 13.218 -0.349 1.00 0.00 H new HETATM 0 H5 NCZ A 130 4.462 11.694 -0.353 1.00 0.00 H new HETATM 0 H3 NCZ A 130 -0.818 4.648 2.746 1.00 0.00 H new HETATM 0 H2 NCZ A 130 1.126 8.245 -3.826 1.00 0.00 H new HETATM 0 H16 NCZ A 130 -0.511 11.357 0.758 1.00 0.00 H new HETATM 0 H15 NCZ A 130 0.884 12.056 3.011 1.00 0.00 H new HETATM 0 H14 NCZ A 130 3.467 11.331 2.368 1.00 0.00 H new HETATM 0 H13 NCZ A 130 3.250 10.029 0.298 1.00 0.00 H new HETATM 0 H12 NCZ A 130 1.345 11.216 -1.288 1.00 0.00 H new HETATM 0 H1 NCZ A 130 1.222 7.925 0.989 1.00 0.00 H new