USER MOD reduce.3.24.130724 H: found=0, std=0, add=649, rem=0, adj=17 USER MOD reduce.3.24.130724 removed 644 hydrogens (0 hets) USER MOD ----------------------------------------------------------------- USER MOD scores for adjustable sidechains, with "set" totals for H,N and Q USER MOD "o" means original, "f" means flipped, "180deg" is methyl default USER MOD "!" flags a clash with an overlap of 0.40A or greater USER MOD flip categories: "K"=keep, "C"=clashes, "X"=uncertain, "F"=flip USER MOD Set 1.1: A 45 THR OG1 : rot 180:sc= 0 USER MOD Set 1.2: A 52 THR OG1 : rot 180:sc= 0 USER MOD Single : A 1 GLY N :NH3+ -95:sc= 0.0293 (180deg=0) USER MOD Single : A 2 SER OG : rot 180:sc= 0 USER MOD Single : A 3 SER OG : rot 180:sc= -0.195 USER MOD Single : A 5 SER OG : rot 37:sc= 0.409 USER MOD Single : A 6 SER OG : rot 180:sc=-0.00448 USER MOD Single : A 11 HIS : no HD1:sc= -2.16 X(o=-2.2,f=-2.2) USER MOD Single : A 12 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 13 LYS NZ :NH3+ 166:sc= -0.815 (180deg=-1.07) USER MOD Single : A 15 THR OG1 : rot -61:sc= 0.405 USER MOD Single : A 20 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Single : A 24 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 30 GLN : amide:sc= -0.462 K(o=-0.46,f=-2.7) USER MOD Single : A 32 SER OG : rot 67:sc= 1.08 USER MOD Single : A 37 TYR OH : rot 180:sc= 0 USER MOD Single : A 41 GLN : amide:sc= -2.67! X(o=-2.7!,f=-2.4) USER MOD Single : A 48 GLN : amide:sc= 0 K(o=0,f=-0.5) USER MOD Single : A 50 HIS : no HD1:sc= -0.0848 X(o=-0.085,f=-0.095) USER MOD Single : A 51 GLN : amide:sc= -1.39 K(o=-1.4,f=-2.2!) USER MOD Single : A 58 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 60 GLN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 64 GLN : amide:sc= -0.0521 X(o=-0.052,f=-0.47) USER MOD Single : A 65 HIS : no HE2:sc= -3.13! C(o=-2.9!,f=-5.7!) USER MOD Single : A 69 SER OG : rot 180:sc= 0 USER MOD Single : A 74 GLN : amide:sc= 0 X(o=0,f=-0.22) USER MOD Single : A 75 ASN : amide:sc= -0.16 X(o=-0.16,f=0) USER MOD Single : A 77 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 79 MET CE :methyl -166:sc= -0.0348 (180deg=-0.374) USER MOD Single : A 80 ASN : amide:sc= -8.47! C(o=-8.5!,f=-8.6!) USER MOD Single : A 81 SER OG : rot 180:sc= 0 USER MOD Single : A 84 SER OG : rot 40:sc= 1.03 USER MOD Single : A 85 SER OG : rot -56:sc= 0.00399 USER MOD ----------------------------------------------------------------- ATOM 1 N GLY A 1 -23.935 -3.109 -36.431 1.00 0.00 N ATOM 2 CA GLY A 1 -24.518 -2.660 -35.180 1.00 0.00 C ATOM 3 C GLY A 1 -24.382 -3.689 -34.075 1.00 0.00 C ATOM 4 O GLY A 1 -24.328 -4.890 -34.339 1.00 0.00 O ATOM 0 H1 GLY A 1 -22.961 -2.752 -36.508 1.00 0.00 H new ATOM 0 H2 GLY A 1 -23.925 -4.149 -36.456 1.00 0.00 H new ATOM 0 H3 GLY A 1 -24.500 -2.749 -37.226 1.00 0.00 H new ATOM 0 HA2 GLY A 1 -24.036 -1.733 -34.870 1.00 0.00 H new ATOM 0 HA3 GLY A 1 -25.573 -2.435 -35.335 1.00 0.00 H new ATOM 8 N SER A 2 -24.325 -3.217 -32.834 1.00 0.00 N ATOM 9 CA SER A 2 -24.188 -4.104 -31.684 1.00 0.00 C ATOM 10 C SER A 2 -24.279 -3.320 -30.379 1.00 0.00 C ATOM 11 O SER A 2 -24.084 -2.105 -30.357 1.00 0.00 O ATOM 12 CB SER A 2 -22.858 -4.856 -31.749 1.00 0.00 C ATOM 13 OG SER A 2 -22.841 -5.942 -30.839 1.00 0.00 O ATOM 0 H SER A 2 -24.372 -2.226 -32.599 1.00 0.00 H new ATOM 0 HA SER A 2 -25.006 -4.824 -31.712 1.00 0.00 H new ATOM 0 HB2 SER A 2 -22.694 -5.224 -32.762 1.00 0.00 H new ATOM 0 HB3 SER A 2 -22.039 -4.174 -31.521 1.00 0.00 H new ATOM 0 HG SER A 2 -21.981 -6.407 -30.901 1.00 0.00 H new ATOM 19 N SER A 3 -24.578 -4.025 -29.292 1.00 0.00 N ATOM 20 CA SER A 3 -24.699 -3.396 -27.982 1.00 0.00 C ATOM 21 C SER A 3 -24.486 -4.416 -26.868 1.00 0.00 C ATOM 22 O SER A 3 -24.776 -5.600 -27.031 1.00 0.00 O ATOM 23 CB SER A 3 -26.073 -2.740 -27.833 1.00 0.00 C ATOM 24 OG SER A 3 -26.259 -1.719 -28.799 1.00 0.00 O ATOM 0 H SER A 3 -24.741 -5.032 -29.293 1.00 0.00 H new ATOM 0 HA SER A 3 -23.928 -2.630 -27.901 1.00 0.00 H new ATOM 0 HB2 SER A 3 -26.853 -3.494 -27.941 1.00 0.00 H new ATOM 0 HB3 SER A 3 -26.172 -2.320 -26.832 1.00 0.00 H new ATOM 0 HG SER A 3 -27.145 -1.317 -28.683 1.00 0.00 H new ATOM 30 N GLY A 4 -23.977 -3.945 -25.733 1.00 0.00 N ATOM 31 CA GLY A 4 -23.733 -4.828 -24.607 1.00 0.00 C ATOM 32 C GLY A 4 -23.006 -4.134 -23.473 1.00 0.00 C ATOM 33 O GLY A 4 -22.403 -3.078 -23.667 1.00 0.00 O ATOM 0 H GLY A 4 -23.730 -2.968 -25.573 1.00 0.00 H new ATOM 0 HA2 GLY A 4 -24.684 -5.216 -24.241 1.00 0.00 H new ATOM 0 HA3 GLY A 4 -23.146 -5.684 -24.941 1.00 0.00 H new ATOM 37 N SER A 5 -23.063 -4.727 -22.285 1.00 0.00 N ATOM 38 CA SER A 5 -22.409 -4.156 -21.113 1.00 0.00 C ATOM 39 C SER A 5 -22.335 -5.176 -19.981 1.00 0.00 C ATOM 40 O SER A 5 -23.359 -5.629 -19.470 1.00 0.00 O ATOM 41 CB SER A 5 -23.159 -2.908 -20.642 1.00 0.00 C ATOM 42 OG SER A 5 -24.505 -3.213 -20.319 1.00 0.00 O ATOM 0 H SER A 5 -23.555 -5.603 -22.108 1.00 0.00 H new ATOM 0 HA SER A 5 -21.393 -3.877 -21.394 1.00 0.00 H new ATOM 0 HB2 SER A 5 -22.659 -2.487 -19.770 1.00 0.00 H new ATOM 0 HB3 SER A 5 -23.132 -2.148 -21.423 1.00 0.00 H new ATOM 0 HG SER A 5 -24.549 -4.101 -19.906 1.00 0.00 H new ATOM 48 N SER A 6 -21.114 -5.533 -19.595 1.00 0.00 N ATOM 49 CA SER A 6 -20.904 -6.503 -18.526 1.00 0.00 C ATOM 50 C SER A 6 -19.438 -6.540 -18.106 1.00 0.00 C ATOM 51 O SER A 6 -18.567 -6.024 -18.806 1.00 0.00 O ATOM 52 CB SER A 6 -21.353 -7.895 -18.976 1.00 0.00 C ATOM 53 OG SER A 6 -21.426 -8.787 -17.877 1.00 0.00 O ATOM 0 H SER A 6 -20.256 -5.166 -20.006 1.00 0.00 H new ATOM 0 HA SER A 6 -21.502 -6.196 -17.668 1.00 0.00 H new ATOM 0 HB2 SER A 6 -22.328 -7.828 -19.459 1.00 0.00 H new ATOM 0 HB3 SER A 6 -20.655 -8.283 -19.718 1.00 0.00 H new ATOM 0 HG SER A 6 -21.717 -9.669 -18.190 1.00 0.00 H new ATOM 59 N GLY A 7 -19.173 -7.154 -16.958 1.00 0.00 N ATOM 60 CA GLY A 7 -17.812 -7.248 -16.463 1.00 0.00 C ATOM 61 C GLY A 7 -17.711 -6.943 -14.982 1.00 0.00 C ATOM 62 O GLY A 7 -17.885 -5.798 -14.564 1.00 0.00 O ATOM 0 H GLY A 7 -19.877 -7.589 -16.361 1.00 0.00 H new ATOM 0 HA2 GLY A 7 -17.429 -8.251 -16.651 1.00 0.00 H new ATOM 0 HA3 GLY A 7 -17.178 -6.556 -17.017 1.00 0.00 H new ATOM 66 N ALA A 8 -17.430 -7.969 -14.186 1.00 0.00 N ATOM 67 CA ALA A 8 -17.306 -7.805 -12.743 1.00 0.00 C ATOM 68 C ALA A 8 -16.461 -8.919 -12.134 1.00 0.00 C ATOM 69 O ALA A 8 -16.245 -9.959 -12.757 1.00 0.00 O ATOM 70 CB ALA A 8 -18.682 -7.769 -12.095 1.00 0.00 C ATOM 0 H ALA A 8 -17.284 -8.923 -14.516 1.00 0.00 H new ATOM 0 HA ALA A 8 -16.802 -6.857 -12.552 1.00 0.00 H new ATOM 0 HB1 ALA A 8 -18.574 -7.646 -11.017 1.00 0.00 H new ATOM 0 HB2 ALA A 8 -19.253 -6.934 -12.500 1.00 0.00 H new ATOM 0 HB3 ALA A 8 -19.207 -8.702 -12.303 1.00 0.00 H new ATOM 76 N LEU A 9 -15.985 -8.694 -10.914 1.00 0.00 N ATOM 77 CA LEU A 9 -15.162 -9.680 -10.221 1.00 0.00 C ATOM 78 C LEU A 9 -16.030 -10.746 -9.560 1.00 0.00 C ATOM 79 O LEU A 9 -17.037 -10.434 -8.922 1.00 0.00 O ATOM 80 CB LEU A 9 -14.287 -8.994 -9.170 1.00 0.00 C ATOM 81 CG LEU A 9 -12.927 -9.641 -8.903 1.00 0.00 C ATOM 82 CD1 LEU A 9 -13.104 -11.038 -8.330 1.00 0.00 C ATOM 83 CD2 LEU A 9 -12.099 -9.685 -10.179 1.00 0.00 C ATOM 0 H LEU A 9 -16.154 -7.839 -10.385 1.00 0.00 H new ATOM 0 HA LEU A 9 -14.522 -10.165 -10.958 1.00 0.00 H new ATOM 0 HB2 LEU A 9 -14.121 -7.963 -9.481 1.00 0.00 H new ATOM 0 HB3 LEU A 9 -14.841 -8.959 -8.232 1.00 0.00 H new ATOM 0 HG LEU A 9 -12.395 -9.036 -8.169 1.00 0.00 H new ATOM 0 HD11 LEU A 9 -12.126 -11.483 -8.146 1.00 0.00 H new ATOM 0 HD12 LEU A 9 -13.658 -10.979 -7.393 1.00 0.00 H new ATOM 0 HD13 LEU A 9 -13.656 -11.655 -9.039 1.00 0.00 H new ATOM 0 HD21 LEU A 9 -11.135 -10.148 -9.971 1.00 0.00 H new ATOM 0 HD22 LEU A 9 -12.626 -10.267 -10.935 1.00 0.00 H new ATOM 0 HD23 LEU A 9 -11.943 -8.671 -10.546 1.00 0.00 H new ATOM 95 N PHE A 10 -15.633 -12.004 -9.714 1.00 0.00 N ATOM 96 CA PHE A 10 -16.375 -13.117 -9.131 1.00 0.00 C ATOM 97 C PHE A 10 -16.983 -12.721 -7.789 1.00 0.00 C ATOM 98 O PHE A 10 -16.290 -12.215 -6.905 1.00 0.00 O ATOM 99 CB PHE A 10 -15.459 -14.329 -8.952 1.00 0.00 C ATOM 100 CG PHE A 10 -14.450 -14.487 -10.053 1.00 0.00 C ATOM 101 CD1 PHE A 10 -14.828 -14.985 -11.290 1.00 0.00 C ATOM 102 CD2 PHE A 10 -13.125 -14.137 -9.853 1.00 0.00 C ATOM 103 CE1 PHE A 10 -13.902 -15.132 -12.305 1.00 0.00 C ATOM 104 CE2 PHE A 10 -12.194 -14.282 -10.865 1.00 0.00 C ATOM 105 CZ PHE A 10 -12.584 -14.779 -12.093 1.00 0.00 C ATOM 0 H PHE A 10 -14.802 -12.279 -10.237 1.00 0.00 H new ATOM 0 HA PHE A 10 -17.184 -13.380 -9.813 1.00 0.00 H new ATOM 0 HB2 PHE A 10 -14.935 -14.241 -8.000 1.00 0.00 H new ATOM 0 HB3 PHE A 10 -16.069 -15.230 -8.898 1.00 0.00 H new ATOM 0 HD1 PHE A 10 -15.858 -15.261 -11.462 1.00 0.00 H new ATOM 0 HD2 PHE A 10 -12.815 -13.746 -8.895 1.00 0.00 H new ATOM 0 HE1 PHE A 10 -14.209 -15.523 -13.264 1.00 0.00 H new ATOM 0 HE2 PHE A 10 -11.163 -14.007 -10.695 1.00 0.00 H new ATOM 0 HZ PHE A 10 -11.860 -14.891 -12.886 1.00 0.00 H new ATOM 115 N HIS A 11 -18.283 -12.955 -7.643 1.00 0.00 N ATOM 116 CA HIS A 11 -18.986 -12.623 -6.409 1.00 0.00 C ATOM 117 C HIS A 11 -18.188 -13.077 -5.190 1.00 0.00 C ATOM 118 O HIS A 11 -17.852 -12.274 -4.319 1.00 0.00 O ATOM 119 CB HIS A 11 -20.371 -13.270 -6.396 1.00 0.00 C ATOM 120 CG HIS A 11 -20.346 -14.745 -6.658 1.00 0.00 C ATOM 121 ND1 HIS A 11 -20.637 -15.686 -5.693 1.00 0.00 N ATOM 122 CD2 HIS A 11 -20.062 -15.439 -7.785 1.00 0.00 C ATOM 123 CE1 HIS A 11 -20.533 -16.895 -6.215 1.00 0.00 C ATOM 124 NE2 HIS A 11 -20.186 -16.773 -7.483 1.00 0.00 N ATOM 0 H HIS A 11 -18.871 -13.373 -8.364 1.00 0.00 H new ATOM 0 HA HIS A 11 -19.099 -11.540 -6.365 1.00 0.00 H new ATOM 0 HB2 HIS A 11 -20.838 -13.089 -5.428 1.00 0.00 H new ATOM 0 HB3 HIS A 11 -20.996 -12.786 -7.147 1.00 0.00 H new ATOM 0 HD2 HIS A 11 -19.789 -15.022 -8.743 1.00 0.00 H new ATOM 0 HE1 HIS A 11 -20.703 -17.825 -5.693 1.00 0.00 H new ATOM 0 HE2 HIS A 11 -20.035 -17.544 -8.133 1.00 0.00 H new ATOM 132 N LYS A 12 -17.887 -14.370 -5.135 1.00 0.00 N ATOM 133 CA LYS A 12 -17.128 -14.933 -4.024 1.00 0.00 C ATOM 134 C LYS A 12 -15.629 -14.873 -4.303 1.00 0.00 C ATOM 135 O LYS A 12 -15.175 -15.226 -5.392 1.00 0.00 O ATOM 136 CB LYS A 12 -17.552 -16.381 -3.771 1.00 0.00 C ATOM 137 CG LYS A 12 -18.802 -16.508 -2.917 1.00 0.00 C ATOM 138 CD LYS A 12 -18.498 -16.273 -1.447 1.00 0.00 C ATOM 139 CE LYS A 12 -17.808 -17.475 -0.820 1.00 0.00 C ATOM 140 NZ LYS A 12 -17.291 -17.170 0.542 1.00 0.00 N ATOM 0 H LYS A 12 -18.157 -15.048 -5.847 1.00 0.00 H new ATOM 0 HA LYS A 12 -17.339 -14.338 -3.135 1.00 0.00 H new ATOM 0 HB2 LYS A 12 -17.725 -16.873 -4.728 1.00 0.00 H new ATOM 0 HB3 LYS A 12 -16.734 -16.911 -3.283 1.00 0.00 H new ATOM 0 HG2 LYS A 12 -19.549 -15.790 -3.255 1.00 0.00 H new ATOM 0 HG3 LYS A 12 -19.233 -17.501 -3.046 1.00 0.00 H new ATOM 0 HD2 LYS A 12 -17.864 -15.393 -1.342 1.00 0.00 H new ATOM 0 HD3 LYS A 12 -19.424 -16.064 -0.912 1.00 0.00 H new ATOM 0 HE2 LYS A 12 -18.509 -18.308 -0.764 1.00 0.00 H new ATOM 0 HE3 LYS A 12 -16.984 -17.794 -1.458 1.00 0.00 H new ATOM 0 HZ1 LYS A 12 -16.828 -18.014 0.935 1.00 0.00 H new ATOM 0 HZ2 LYS A 12 -16.603 -16.392 0.486 1.00 0.00 H new ATOM 0 HZ3 LYS A 12 -18.080 -16.890 1.158 1.00 0.00 H new ATOM 154 N LYS A 13 -14.865 -14.424 -3.313 1.00 0.00 N ATOM 155 CA LYS A 13 -13.417 -14.320 -3.450 1.00 0.00 C ATOM 156 C LYS A 13 -12.722 -14.626 -2.127 1.00 0.00 C ATOM 157 O LYS A 13 -13.376 -14.854 -1.109 1.00 0.00 O ATOM 158 CB LYS A 13 -13.029 -12.920 -3.931 1.00 0.00 C ATOM 159 CG LYS A 13 -12.909 -12.807 -5.441 1.00 0.00 C ATOM 160 CD LYS A 13 -11.493 -13.095 -5.911 1.00 0.00 C ATOM 161 CE LYS A 13 -11.182 -14.583 -5.863 1.00 0.00 C ATOM 162 NZ LYS A 13 -12.208 -15.388 -6.583 1.00 0.00 N ATOM 0 H LYS A 13 -15.225 -14.126 -2.406 1.00 0.00 H new ATOM 0 HA LYS A 13 -13.093 -15.054 -4.188 1.00 0.00 H new ATOM 0 HB2 LYS A 13 -13.773 -12.205 -3.580 1.00 0.00 H new ATOM 0 HB3 LYS A 13 -12.078 -12.640 -3.477 1.00 0.00 H new ATOM 0 HG2 LYS A 13 -13.600 -13.505 -5.915 1.00 0.00 H new ATOM 0 HG3 LYS A 13 -13.201 -11.805 -5.756 1.00 0.00 H new ATOM 0 HD2 LYS A 13 -11.365 -12.728 -6.929 1.00 0.00 H new ATOM 0 HD3 LYS A 13 -10.784 -12.553 -5.285 1.00 0.00 H new ATOM 0 HE2 LYS A 13 -10.202 -14.764 -6.306 1.00 0.00 H new ATOM 0 HE3 LYS A 13 -11.128 -14.909 -4.824 1.00 0.00 H new ATOM 0 HZ1 LYS A 13 -11.849 -16.352 -6.734 1.00 0.00 H new ATOM 0 HZ2 LYS A 13 -13.079 -15.428 -6.016 1.00 0.00 H new ATOM 0 HZ3 LYS A 13 -12.413 -14.947 -7.502 1.00 0.00 H new ATOM 176 N LEU A 14 -11.394 -14.627 -2.149 1.00 0.00 N ATOM 177 CA LEU A 14 -10.609 -14.903 -0.950 1.00 0.00 C ATOM 178 C LEU A 14 -10.737 -13.765 0.058 1.00 0.00 C ATOM 179 O LEU A 14 -10.934 -13.997 1.251 1.00 0.00 O ATOM 180 CB LEU A 14 -9.139 -15.113 -1.316 1.00 0.00 C ATOM 181 CG LEU A 14 -8.838 -16.302 -2.230 1.00 0.00 C ATOM 182 CD1 LEU A 14 -7.537 -16.078 -2.985 1.00 0.00 C ATOM 183 CD2 LEU A 14 -8.774 -17.591 -1.424 1.00 0.00 C ATOM 0 H LEU A 14 -10.838 -14.440 -2.983 1.00 0.00 H new ATOM 0 HA LEU A 14 -10.996 -15.814 -0.493 1.00 0.00 H new ATOM 0 HB2 LEU A 14 -8.773 -14.207 -1.799 1.00 0.00 H new ATOM 0 HB3 LEU A 14 -8.570 -15.235 -0.395 1.00 0.00 H new ATOM 0 HG LEU A 14 -9.645 -16.391 -2.957 1.00 0.00 H new ATOM 0 HD11 LEU A 14 -7.339 -16.934 -3.630 1.00 0.00 H new ATOM 0 HD12 LEU A 14 -7.619 -15.177 -3.593 1.00 0.00 H new ATOM 0 HD13 LEU A 14 -6.719 -15.963 -2.274 1.00 0.00 H new ATOM 0 HD21 LEU A 14 -8.559 -18.426 -2.090 1.00 0.00 H new ATOM 0 HD22 LEU A 14 -7.987 -17.513 -0.674 1.00 0.00 H new ATOM 0 HD23 LEU A 14 -9.731 -17.759 -0.929 1.00 0.00 H new ATOM 195 N THR A 15 -10.625 -12.534 -0.430 1.00 0.00 N ATOM 196 CA THR A 15 -10.729 -11.360 0.427 1.00 0.00 C ATOM 197 C THR A 15 -10.295 -11.680 1.853 1.00 0.00 C ATOM 198 O THR A 15 -10.963 -11.299 2.814 1.00 0.00 O ATOM 199 CB THR A 15 -12.166 -10.807 0.451 1.00 0.00 C ATOM 200 OG1 THR A 15 -12.199 -9.558 1.150 1.00 0.00 O ATOM 201 CG2 THR A 15 -13.114 -11.792 1.118 1.00 0.00 C ATOM 0 H THR A 15 -10.462 -12.324 -1.415 1.00 0.00 H new ATOM 0 HA THR A 15 -10.064 -10.604 0.009 1.00 0.00 H new ATOM 0 HB THR A 15 -12.490 -10.655 -0.579 1.00 0.00 H new ATOM 0 HG1 THR A 15 -11.909 -9.694 2.076 1.00 0.00 H new ATOM 0 HG21 THR A 15 -14.123 -11.379 1.123 1.00 0.00 H new ATOM 0 HG22 THR A 15 -13.109 -12.732 0.566 1.00 0.00 H new ATOM 0 HG23 THR A 15 -12.790 -11.971 2.143 1.00 0.00 H new ATOM 209 N GLU A 16 -9.174 -12.382 1.982 1.00 0.00 N ATOM 210 CA GLU A 16 -8.653 -12.753 3.293 1.00 0.00 C ATOM 211 C GLU A 16 -7.962 -11.567 3.959 1.00 0.00 C ATOM 212 O GLU A 16 -7.520 -10.635 3.289 1.00 0.00 O ATOM 213 CB GLU A 16 -7.673 -13.922 3.165 1.00 0.00 C ATOM 214 CG GLU A 16 -8.347 -15.283 3.168 1.00 0.00 C ATOM 215 CD GLU A 16 -7.397 -16.403 3.546 1.00 0.00 C ATOM 216 OE1 GLU A 16 -6.954 -16.436 4.714 1.00 0.00 O ATOM 217 OE2 GLU A 16 -7.097 -17.247 2.676 1.00 0.00 O ATOM 0 H GLU A 16 -8.610 -12.705 1.196 1.00 0.00 H new ATOM 0 HA GLU A 16 -9.493 -13.059 3.916 1.00 0.00 H new ATOM 0 HB2 GLU A 16 -7.105 -13.809 2.242 1.00 0.00 H new ATOM 0 HB3 GLU A 16 -6.958 -13.878 3.987 1.00 0.00 H new ATOM 0 HG2 GLU A 16 -9.183 -15.269 3.867 1.00 0.00 H new ATOM 0 HG3 GLU A 16 -8.762 -15.481 2.180 1.00 0.00 H new ATOM 224 N GLY A 17 -7.872 -11.610 5.285 1.00 0.00 N ATOM 225 CA GLY A 17 -7.235 -10.534 6.021 1.00 0.00 C ATOM 226 C GLY A 17 -7.658 -9.164 5.528 1.00 0.00 C ATOM 227 O GLY A 17 -6.820 -8.290 5.306 1.00 0.00 O ATOM 0 H GLY A 17 -8.229 -12.371 5.862 1.00 0.00 H new ATOM 0 HA2 GLY A 17 -7.479 -10.627 7.079 1.00 0.00 H new ATOM 0 HA3 GLY A 17 -6.153 -10.630 5.934 1.00 0.00 H new ATOM 231 N VAL A 18 -8.963 -8.976 5.356 1.00 0.00 N ATOM 232 CA VAL A 18 -9.496 -7.703 4.885 1.00 0.00 C ATOM 233 C VAL A 18 -10.563 -7.170 5.835 1.00 0.00 C ATOM 234 O VAL A 18 -11.752 -7.439 5.664 1.00 0.00 O ATOM 235 CB VAL A 18 -10.100 -7.835 3.474 1.00 0.00 C ATOM 236 CG1 VAL A 18 -10.732 -6.522 3.039 1.00 0.00 C ATOM 237 CG2 VAL A 18 -9.038 -8.281 2.480 1.00 0.00 C ATOM 0 H VAL A 18 -9.670 -9.689 5.536 1.00 0.00 H new ATOM 0 HA VAL A 18 -8.661 -7.003 4.850 1.00 0.00 H new ATOM 0 HB VAL A 18 -10.881 -8.595 3.501 1.00 0.00 H new ATOM 0 HG11 VAL A 18 -11.153 -6.634 2.040 1.00 0.00 H new ATOM 0 HG12 VAL A 18 -11.523 -6.250 3.738 1.00 0.00 H new ATOM 0 HG13 VAL A 18 -9.973 -5.739 3.027 1.00 0.00 H new ATOM 0 HG21 VAL A 18 -9.482 -8.369 1.488 1.00 0.00 H new ATOM 0 HG22 VAL A 18 -8.233 -7.546 2.453 1.00 0.00 H new ATOM 0 HG23 VAL A 18 -8.637 -9.247 2.785 1.00 0.00 H new ATOM 247 N LEU A 19 -10.129 -6.411 6.835 1.00 0.00 N ATOM 248 CA LEU A 19 -11.047 -5.838 7.814 1.00 0.00 C ATOM 249 C LEU A 19 -11.250 -4.347 7.561 1.00 0.00 C ATOM 250 O LEU A 19 -11.277 -3.547 8.496 1.00 0.00 O ATOM 251 CB LEU A 19 -10.517 -6.059 9.231 1.00 0.00 C ATOM 252 CG LEU A 19 -10.171 -7.502 9.601 1.00 0.00 C ATOM 253 CD1 LEU A 19 -8.724 -7.811 9.249 1.00 0.00 C ATOM 254 CD2 LEU A 19 -10.427 -7.749 11.081 1.00 0.00 C ATOM 0 H LEU A 19 -9.148 -6.178 6.990 1.00 0.00 H new ATOM 0 HA LEU A 19 -12.009 -6.340 7.711 1.00 0.00 H new ATOM 0 HB2 LEU A 19 -9.625 -5.447 9.363 1.00 0.00 H new ATOM 0 HB3 LEU A 19 -11.262 -5.693 9.937 1.00 0.00 H new ATOM 0 HG LEU A 19 -10.813 -8.169 9.026 1.00 0.00 H new ATOM 0 HD11 LEU A 19 -8.496 -8.842 9.519 1.00 0.00 H new ATOM 0 HD12 LEU A 19 -8.573 -7.675 8.178 1.00 0.00 H new ATOM 0 HD13 LEU A 19 -8.065 -7.138 9.797 1.00 0.00 H new ATOM 0 HD21 LEU A 19 -10.175 -8.781 11.327 1.00 0.00 H new ATOM 0 HD22 LEU A 19 -9.810 -7.074 11.675 1.00 0.00 H new ATOM 0 HD23 LEU A 19 -11.479 -7.569 11.303 1.00 0.00 H new ATOM 266 N MET A 20 -11.396 -3.982 6.292 1.00 0.00 N ATOM 267 CA MET A 20 -11.600 -2.587 5.917 1.00 0.00 C ATOM 268 C MET A 20 -12.599 -2.473 4.770 1.00 0.00 C ATOM 269 O MET A 20 -12.570 -3.267 3.829 1.00 0.00 O ATOM 270 CB MET A 20 -10.271 -1.944 5.518 1.00 0.00 C ATOM 271 CG MET A 20 -9.672 -2.525 4.248 1.00 0.00 C ATOM 272 SD MET A 20 -8.385 -1.476 3.544 1.00 0.00 S ATOM 273 CE MET A 20 -6.948 -2.052 4.446 1.00 0.00 C ATOM 0 H MET A 20 -11.377 -4.632 5.506 1.00 0.00 H new ATOM 0 HA MET A 20 -12.005 -2.060 6.781 1.00 0.00 H new ATOM 0 HB2 MET A 20 -10.421 -0.873 5.382 1.00 0.00 H new ATOM 0 HB3 MET A 20 -9.559 -2.065 6.334 1.00 0.00 H new ATOM 0 HG2 MET A 20 -9.255 -3.509 4.464 1.00 0.00 H new ATOM 0 HG3 MET A 20 -10.462 -2.668 3.511 1.00 0.00 H new ATOM 0 HE1 MET A 20 -6.068 -1.497 4.121 1.00 0.00 H new ATOM 0 HE2 MET A 20 -7.102 -1.896 5.514 1.00 0.00 H new ATOM 0 HE3 MET A 20 -6.799 -3.114 4.252 1.00 0.00 H new ATOM 283 N ARG A 21 -13.480 -1.483 4.854 1.00 0.00 N ATOM 284 CA ARG A 21 -14.488 -1.267 3.823 1.00 0.00 C ATOM 285 C ARG A 21 -14.110 -0.087 2.932 1.00 0.00 C ATOM 286 O ARG A 21 -14.977 0.574 2.359 1.00 0.00 O ATOM 287 CB ARG A 21 -15.856 -1.020 4.461 1.00 0.00 C ATOM 288 CG ARG A 21 -16.004 0.365 5.069 1.00 0.00 C ATOM 289 CD ARG A 21 -17.347 0.529 5.763 1.00 0.00 C ATOM 290 NE ARG A 21 -17.283 1.490 6.861 1.00 0.00 N ATOM 291 CZ ARG A 21 -16.885 1.177 8.089 1.00 0.00 C ATOM 292 NH1 ARG A 21 -16.518 -0.065 8.374 1.00 0.00 N ATOM 293 NH2 ARG A 21 -16.853 2.107 9.034 1.00 0.00 N ATOM 0 H ARG A 21 -13.517 -0.817 5.626 1.00 0.00 H new ATOM 0 HA ARG A 21 -14.539 -2.164 3.206 1.00 0.00 H new ATOM 0 HB2 ARG A 21 -16.630 -1.161 3.706 1.00 0.00 H new ATOM 0 HB3 ARG A 21 -16.026 -1.768 5.236 1.00 0.00 H new ATOM 0 HG2 ARG A 21 -15.200 0.537 5.785 1.00 0.00 H new ATOM 0 HG3 ARG A 21 -15.902 1.119 4.288 1.00 0.00 H new ATOM 0 HD2 ARG A 21 -18.092 0.857 5.038 1.00 0.00 H new ATOM 0 HD3 ARG A 21 -17.678 -0.437 6.145 1.00 0.00 H new ATOM 0 HE ARG A 21 -17.559 2.454 6.675 1.00 0.00 H new ATOM 0 HH11 ARG A 21 -16.541 -0.783 7.649 1.00 0.00 H new ATOM 0 HH12 ARG A 21 -16.213 -0.303 9.318 1.00 0.00 H new ATOM 0 HH21 ARG A 21 -17.134 3.063 8.818 1.00 0.00 H new ATOM 0 HH22 ARG A 21 -16.547 1.866 9.977 1.00 0.00 H new ATOM 307 N ASP A 22 -12.812 0.171 2.820 1.00 0.00 N ATOM 308 CA ASP A 22 -12.319 1.270 1.998 1.00 0.00 C ATOM 309 C ASP A 22 -11.127 0.827 1.156 1.00 0.00 C ATOM 310 O ASP A 22 -10.279 0.051 1.596 1.00 0.00 O ATOM 311 CB ASP A 22 -11.924 2.456 2.879 1.00 0.00 C ATOM 312 CG ASP A 22 -11.022 2.049 4.028 1.00 0.00 C ATOM 313 OD1 ASP A 22 -9.805 1.891 3.799 1.00 0.00 O ATOM 314 OD2 ASP A 22 -11.533 1.888 5.156 1.00 0.00 O ATOM 0 H ASP A 22 -12.082 -0.366 3.288 1.00 0.00 H new ATOM 0 HA ASP A 22 -13.121 1.577 1.326 1.00 0.00 H new ATOM 0 HB2 ASP A 22 -11.416 3.204 2.270 1.00 0.00 H new ATOM 0 HB3 ASP A 22 -12.824 2.925 3.276 1.00 0.00 H new ATOM 319 N PRO A 23 -11.060 1.330 -0.086 1.00 0.00 N ATOM 320 CA PRO A 23 -9.976 0.999 -1.016 1.00 0.00 C ATOM 321 C PRO A 23 -8.643 1.606 -0.592 1.00 0.00 C ATOM 322 O PRO A 23 -7.883 0.997 0.162 1.00 0.00 O ATOM 323 CB PRO A 23 -10.445 1.611 -2.339 1.00 0.00 C ATOM 324 CG PRO A 23 -11.361 2.716 -1.941 1.00 0.00 C ATOM 325 CD PRO A 23 -12.036 2.261 -0.677 1.00 0.00 C ATOM 0 HA PRO A 23 -9.796 -0.075 -1.067 1.00 0.00 H new ATOM 0 HB2 PRO A 23 -9.604 1.985 -2.923 1.00 0.00 H new ATOM 0 HB3 PRO A 23 -10.959 0.874 -2.956 1.00 0.00 H new ATOM 0 HG2 PRO A 23 -10.808 3.641 -1.777 1.00 0.00 H new ATOM 0 HG3 PRO A 23 -12.093 2.917 -2.723 1.00 0.00 H new ATOM 0 HD2 PRO A 23 -12.248 3.097 -0.011 1.00 0.00 H new ATOM 0 HD3 PRO A 23 -12.987 1.769 -0.884 1.00 0.00 H new ATOM 333 N LYS A 24 -8.364 2.809 -1.082 1.00 0.00 N ATOM 334 CA LYS A 24 -7.122 3.500 -0.753 1.00 0.00 C ATOM 335 C LYS A 24 -7.361 4.998 -0.587 1.00 0.00 C ATOM 336 O LYS A 24 -7.711 5.690 -1.543 1.00 0.00 O ATOM 337 CB LYS A 24 -6.075 3.257 -1.842 1.00 0.00 C ATOM 338 CG LYS A 24 -5.135 2.104 -1.536 1.00 0.00 C ATOM 339 CD LYS A 24 -3.998 2.539 -0.626 1.00 0.00 C ATOM 340 CE LYS A 24 -3.027 3.459 -1.348 1.00 0.00 C ATOM 341 NZ LYS A 24 -1.864 3.821 -0.491 1.00 0.00 N ATOM 0 H LYS A 24 -8.981 3.326 -1.708 1.00 0.00 H new ATOM 0 HA LYS A 24 -6.753 3.102 0.192 1.00 0.00 H new ATOM 0 HB2 LYS A 24 -6.584 3.059 -2.786 1.00 0.00 H new ATOM 0 HB3 LYS A 24 -5.489 4.166 -1.980 1.00 0.00 H new ATOM 0 HG2 LYS A 24 -5.692 1.295 -1.063 1.00 0.00 H new ATOM 0 HG3 LYS A 24 -4.727 1.709 -2.466 1.00 0.00 H new ATOM 0 HD2 LYS A 24 -4.404 3.050 0.247 1.00 0.00 H new ATOM 0 HD3 LYS A 24 -3.466 1.660 -0.262 1.00 0.00 H new ATOM 0 HE2 LYS A 24 -2.671 2.971 -2.256 1.00 0.00 H new ATOM 0 HE3 LYS A 24 -3.547 4.366 -1.656 1.00 0.00 H new ATOM 0 HZ1 LYS A 24 -1.225 4.449 -1.020 1.00 0.00 H new ATOM 0 HZ2 LYS A 24 -2.201 4.309 0.363 1.00 0.00 H new ATOM 0 HZ3 LYS A 24 -1.352 2.958 -0.217 1.00 0.00 H new ATOM 355 N PHE A 25 -7.168 5.492 0.632 1.00 0.00 N ATOM 356 CA PHE A 25 -7.361 6.908 0.922 1.00 0.00 C ATOM 357 C PHE A 25 -6.102 7.706 0.598 1.00 0.00 C ATOM 358 O PHE A 25 -5.155 7.742 1.386 1.00 0.00 O ATOM 359 CB PHE A 25 -7.738 7.102 2.392 1.00 0.00 C ATOM 360 CG PHE A 25 -8.533 8.350 2.648 1.00 0.00 C ATOM 361 CD1 PHE A 25 -9.766 8.537 2.045 1.00 0.00 C ATOM 362 CD2 PHE A 25 -8.046 9.336 3.491 1.00 0.00 C ATOM 363 CE1 PHE A 25 -10.501 9.685 2.279 1.00 0.00 C ATOM 364 CE2 PHE A 25 -8.776 10.486 3.728 1.00 0.00 C ATOM 365 CZ PHE A 25 -10.004 10.661 3.121 1.00 0.00 C ATOM 0 H PHE A 25 -6.878 4.933 1.434 1.00 0.00 H new ATOM 0 HA PHE A 25 -8.173 7.275 0.294 1.00 0.00 H new ATOM 0 HB2 PHE A 25 -8.313 6.239 2.728 1.00 0.00 H new ATOM 0 HB3 PHE A 25 -6.828 7.131 2.991 1.00 0.00 H new ATOM 0 HD1 PHE A 25 -10.158 7.778 1.385 1.00 0.00 H new ATOM 0 HD2 PHE A 25 -7.086 9.205 3.968 1.00 0.00 H new ATOM 0 HE1 PHE A 25 -11.462 9.818 1.804 1.00 0.00 H new ATOM 0 HE2 PHE A 25 -8.386 11.247 4.388 1.00 0.00 H new ATOM 0 HZ PHE A 25 -10.575 11.559 3.304 1.00 0.00 H new ATOM 375 N LEU A 26 -6.098 8.346 -0.566 1.00 0.00 N ATOM 376 CA LEU A 26 -4.955 9.144 -0.996 1.00 0.00 C ATOM 377 C LEU A 26 -5.274 10.634 -0.925 1.00 0.00 C ATOM 378 O LEU A 26 -6.209 11.110 -1.569 1.00 0.00 O ATOM 379 CB LEU A 26 -4.551 8.766 -2.422 1.00 0.00 C ATOM 380 CG LEU A 26 -3.913 9.877 -3.257 1.00 0.00 C ATOM 381 CD1 LEU A 26 -2.587 10.307 -2.648 1.00 0.00 C ATOM 382 CD2 LEU A 26 -3.719 9.419 -4.695 1.00 0.00 C ATOM 0 H LEU A 26 -6.873 8.328 -1.229 1.00 0.00 H new ATOM 0 HA LEU A 26 -4.124 8.936 -0.322 1.00 0.00 H new ATOM 0 HB2 LEU A 26 -3.852 7.931 -2.371 1.00 0.00 H new ATOM 0 HB3 LEU A 26 -5.437 8.408 -2.946 1.00 0.00 H new ATOM 0 HG LEU A 26 -4.584 10.736 -3.258 1.00 0.00 H new ATOM 0 HD11 LEU A 26 -2.147 11.098 -3.255 1.00 0.00 H new ATOM 0 HD12 LEU A 26 -2.754 10.677 -1.636 1.00 0.00 H new ATOM 0 HD13 LEU A 26 -1.908 9.455 -2.616 1.00 0.00 H new ATOM 0 HD21 LEU A 26 -3.264 10.222 -5.274 1.00 0.00 H new ATOM 0 HD22 LEU A 26 -3.068 8.545 -4.714 1.00 0.00 H new ATOM 0 HD23 LEU A 26 -4.685 9.162 -5.128 1.00 0.00 H new ATOM 394 N TRP A 27 -4.491 11.365 -0.140 1.00 0.00 N ATOM 395 CA TRP A 27 -4.689 12.802 0.013 1.00 0.00 C ATOM 396 C TRP A 27 -3.357 13.517 0.207 1.00 0.00 C ATOM 397 O TRP A 27 -2.334 12.885 0.474 1.00 0.00 O ATOM 398 CB TRP A 27 -5.611 13.086 1.200 1.00 0.00 C ATOM 399 CG TRP A 27 -5.031 12.669 2.517 1.00 0.00 C ATOM 400 CD1 TRP A 27 -3.876 11.969 2.719 1.00 0.00 C ATOM 401 CD2 TRP A 27 -5.580 12.924 3.815 1.00 0.00 C ATOM 402 NE1 TRP A 27 -3.673 11.774 4.064 1.00 0.00 N ATOM 403 CE2 TRP A 27 -4.704 12.350 4.757 1.00 0.00 C ATOM 404 CE3 TRP A 27 -6.725 13.582 4.272 1.00 0.00 C ATOM 405 CZ2 TRP A 27 -4.940 12.416 6.128 1.00 0.00 C ATOM 406 CZ3 TRP A 27 -6.958 13.646 5.633 1.00 0.00 C ATOM 407 CH2 TRP A 27 -6.069 13.066 6.548 1.00 0.00 C ATOM 0 H TRP A 27 -3.713 10.987 0.400 1.00 0.00 H new ATOM 0 HA TRP A 27 -5.153 13.179 -0.898 1.00 0.00 H new ATOM 0 HB2 TRP A 27 -5.833 14.153 1.231 1.00 0.00 H new ATOM 0 HB3 TRP A 27 -6.557 12.567 1.048 1.00 0.00 H new ATOM 0 HD1 TRP A 27 -3.219 11.620 1.936 1.00 0.00 H new ATOM 0 HE1 TRP A 27 -2.883 11.280 4.479 1.00 0.00 H new ATOM 0 HE3 TRP A 27 -7.415 14.032 3.574 1.00 0.00 H new ATOM 0 HZ2 TRP A 27 -4.256 11.970 6.835 1.00 0.00 H new ATOM 0 HZ3 TRP A 27 -7.840 14.152 5.997 1.00 0.00 H new ATOM 0 HH2 TRP A 27 -6.279 13.133 7.605 1.00 0.00 H new ATOM 418 N CYS A 28 -3.375 14.839 0.070 1.00 0.00 N ATOM 419 CA CYS A 28 -2.168 15.641 0.230 1.00 0.00 C ATOM 420 C CYS A 28 -1.774 15.746 1.701 1.00 0.00 C ATOM 421 O CYS A 28 -2.597 16.084 2.551 1.00 0.00 O ATOM 422 CB CYS A 28 -2.379 17.040 -0.354 1.00 0.00 C ATOM 423 SG CYS A 28 -0.837 17.896 -0.808 1.00 0.00 S ATOM 0 H CYS A 28 -4.213 15.377 -0.152 1.00 0.00 H new ATOM 0 HA CYS A 28 -1.360 15.147 -0.309 1.00 0.00 H new ATOM 0 HB2 CYS A 28 -3.012 16.961 -1.238 1.00 0.00 H new ATOM 0 HB3 CYS A 28 -2.919 17.648 0.372 1.00 0.00 H new ATOM 428 N ALA A 29 -0.511 15.453 1.992 1.00 0.00 N ATOM 429 CA ALA A 29 -0.008 15.516 3.358 1.00 0.00 C ATOM 430 C ALA A 29 0.208 16.960 3.797 1.00 0.00 C ATOM 431 O ALA A 29 0.753 17.217 4.871 1.00 0.00 O ATOM 432 CB ALA A 29 1.287 14.726 3.481 1.00 0.00 C ATOM 0 H ALA A 29 0.182 15.170 1.300 1.00 0.00 H new ATOM 0 HA ALA A 29 -0.756 15.072 4.015 1.00 0.00 H new ATOM 0 HB1 ALA A 29 1.651 14.782 4.507 1.00 0.00 H new ATOM 0 HB2 ALA A 29 1.104 13.684 3.217 1.00 0.00 H new ATOM 0 HB3 ALA A 29 2.034 15.145 2.807 1.00 0.00 H new ATOM 438 N GLN A 30 -0.221 17.899 2.960 1.00 0.00 N ATOM 439 CA GLN A 30 -0.073 19.318 3.263 1.00 0.00 C ATOM 440 C GLN A 30 -1.424 20.025 3.235 1.00 0.00 C ATOM 441 O GLN A 30 -1.673 20.942 4.018 1.00 0.00 O ATOM 442 CB GLN A 30 0.881 19.977 2.266 1.00 0.00 C ATOM 443 CG GLN A 30 2.339 19.603 2.480 1.00 0.00 C ATOM 444 CD GLN A 30 2.896 20.150 3.780 1.00 0.00 C ATOM 445 OE1 GLN A 30 2.194 20.823 4.535 1.00 0.00 O ATOM 446 NE2 GLN A 30 4.164 19.861 4.049 1.00 0.00 N ATOM 0 H GLN A 30 -0.674 17.703 2.067 1.00 0.00 H new ATOM 0 HA GLN A 30 0.342 19.408 4.267 1.00 0.00 H new ATOM 0 HB2 GLN A 30 0.587 19.696 1.255 1.00 0.00 H new ATOM 0 HB3 GLN A 30 0.778 21.060 2.339 1.00 0.00 H new ATOM 0 HG2 GLN A 30 2.436 18.517 2.475 1.00 0.00 H new ATOM 0 HG3 GLN A 30 2.933 19.980 1.647 1.00 0.00 H new ATOM 0 HE21 GLN A 30 4.709 19.300 3.395 1.00 0.00 H new ATOM 0 HE22 GLN A 30 4.593 20.200 4.910 1.00 0.00 H new ATOM 455 N CYS A 31 -2.294 19.593 2.328 1.00 0.00 N ATOM 456 CA CYS A 31 -3.620 20.184 2.197 1.00 0.00 C ATOM 457 C CYS A 31 -4.686 19.263 2.783 1.00 0.00 C ATOM 458 O CYS A 31 -5.724 19.723 3.260 1.00 0.00 O ATOM 459 CB CYS A 31 -3.930 20.470 0.726 1.00 0.00 C ATOM 460 SG CYS A 31 -2.577 21.294 -0.172 1.00 0.00 S ATOM 0 H CYS A 31 -2.104 18.835 1.672 1.00 0.00 H new ATOM 0 HA CYS A 31 -3.630 21.122 2.753 1.00 0.00 H new ATOM 0 HB2 CYS A 31 -4.164 19.530 0.226 1.00 0.00 H new ATOM 0 HB3 CYS A 31 -4.822 21.093 0.668 1.00 0.00 H new ATOM 465 N SER A 32 -4.423 17.961 2.744 1.00 0.00 N ATOM 466 CA SER A 32 -5.361 16.975 3.268 1.00 0.00 C ATOM 467 C SER A 32 -6.681 17.022 2.505 1.00 0.00 C ATOM 468 O SER A 32 -7.749 17.179 3.098 1.00 0.00 O ATOM 469 CB SER A 32 -5.611 17.219 4.758 1.00 0.00 C ATOM 470 OG SER A 32 -6.585 16.324 5.265 1.00 0.00 O ATOM 0 H SER A 32 -3.568 17.564 2.355 1.00 0.00 H new ATOM 0 HA SER A 32 -4.921 15.986 3.138 1.00 0.00 H new ATOM 0 HB2 SER A 32 -4.679 17.099 5.311 1.00 0.00 H new ATOM 0 HB3 SER A 32 -5.942 18.246 4.911 1.00 0.00 H new ATOM 0 HG SER A 32 -6.232 15.410 5.243 1.00 0.00 H new ATOM 476 N PHE A 33 -6.600 16.885 1.186 1.00 0.00 N ATOM 477 CA PHE A 33 -7.787 16.913 0.340 1.00 0.00 C ATOM 478 C PHE A 33 -8.741 15.779 0.704 1.00 0.00 C ATOM 479 O PHE A 33 -9.825 16.012 1.236 1.00 0.00 O ATOM 480 CB PHE A 33 -7.391 16.808 -1.135 1.00 0.00 C ATOM 481 CG PHE A 33 -8.307 17.562 -2.056 1.00 0.00 C ATOM 482 CD1 PHE A 33 -9.495 16.996 -2.489 1.00 0.00 C ATOM 483 CD2 PHE A 33 -7.979 18.836 -2.491 1.00 0.00 C ATOM 484 CE1 PHE A 33 -10.341 17.686 -3.336 1.00 0.00 C ATOM 485 CE2 PHE A 33 -8.820 19.531 -3.338 1.00 0.00 C ATOM 486 CZ PHE A 33 -10.002 18.956 -3.763 1.00 0.00 C ATOM 0 H PHE A 33 -5.724 16.753 0.680 1.00 0.00 H new ATOM 0 HA PHE A 33 -8.298 17.862 0.505 1.00 0.00 H new ATOM 0 HB2 PHE A 33 -6.375 17.184 -1.258 1.00 0.00 H new ATOM 0 HB3 PHE A 33 -7.380 15.758 -1.426 1.00 0.00 H new ATOM 0 HD1 PHE A 33 -9.763 16.003 -2.160 1.00 0.00 H new ATOM 0 HD2 PHE A 33 -7.055 19.291 -2.164 1.00 0.00 H new ATOM 0 HE1 PHE A 33 -11.265 17.234 -3.664 1.00 0.00 H new ATOM 0 HE2 PHE A 33 -8.553 20.524 -3.668 1.00 0.00 H new ATOM 0 HZ PHE A 33 -10.659 19.497 -4.427 1.00 0.00 H new ATOM 496 N GLY A 34 -8.328 14.549 0.411 1.00 0.00 N ATOM 497 CA GLY A 34 -9.157 13.397 0.713 1.00 0.00 C ATOM 498 C GLY A 34 -9.944 12.917 -0.490 1.00 0.00 C ATOM 499 O GLY A 34 -11.048 13.397 -0.750 1.00 0.00 O ATOM 0 H GLY A 34 -7.435 14.330 -0.030 1.00 0.00 H new ATOM 0 HA2 GLY A 34 -8.527 12.586 1.078 1.00 0.00 H new ATOM 0 HA3 GLY A 34 -9.848 13.651 1.517 1.00 0.00 H new ATOM 503 N PHE A 35 -9.375 11.969 -1.228 1.00 0.00 N ATOM 504 CA PHE A 35 -10.030 11.427 -2.412 1.00 0.00 C ATOM 505 C PHE A 35 -9.350 10.139 -2.868 1.00 0.00 C ATOM 506 O PHE A 35 -8.122 10.055 -2.909 1.00 0.00 O ATOM 507 CB PHE A 35 -10.014 12.454 -3.546 1.00 0.00 C ATOM 508 CG PHE A 35 -8.632 12.806 -4.017 1.00 0.00 C ATOM 509 CD1 PHE A 35 -7.949 11.972 -4.886 1.00 0.00 C ATOM 510 CD2 PHE A 35 -8.016 13.972 -3.590 1.00 0.00 C ATOM 511 CE1 PHE A 35 -6.676 12.293 -5.320 1.00 0.00 C ATOM 512 CE2 PHE A 35 -6.744 14.298 -4.021 1.00 0.00 C ATOM 513 CZ PHE A 35 -6.074 13.458 -4.888 1.00 0.00 C ATOM 0 H PHE A 35 -8.462 11.561 -1.027 1.00 0.00 H new ATOM 0 HA PHE A 35 -11.064 11.200 -2.152 1.00 0.00 H new ATOM 0 HB2 PHE A 35 -10.587 12.064 -4.387 1.00 0.00 H new ATOM 0 HB3 PHE A 35 -10.517 13.361 -3.211 1.00 0.00 H new ATOM 0 HD1 PHE A 35 -8.416 11.060 -5.229 1.00 0.00 H new ATOM 0 HD2 PHE A 35 -8.536 14.633 -2.913 1.00 0.00 H new ATOM 0 HE1 PHE A 35 -6.153 11.633 -5.996 1.00 0.00 H new ATOM 0 HE2 PHE A 35 -6.275 15.209 -3.680 1.00 0.00 H new ATOM 0 HZ PHE A 35 -5.081 13.712 -5.228 1.00 0.00 H new ATOM 523 N ILE A 36 -10.156 9.140 -3.209 1.00 0.00 N ATOM 524 CA ILE A 36 -9.633 7.857 -3.662 1.00 0.00 C ATOM 525 C ILE A 36 -9.069 7.961 -5.075 1.00 0.00 C ATOM 526 O ILE A 36 -9.582 8.712 -5.905 1.00 0.00 O ATOM 527 CB ILE A 36 -10.718 6.764 -3.633 1.00 0.00 C ATOM 528 CG1 ILE A 36 -11.429 6.756 -2.279 1.00 0.00 C ATOM 529 CG2 ILE A 36 -10.106 5.402 -3.925 1.00 0.00 C ATOM 530 CD1 ILE A 36 -10.533 6.353 -1.129 1.00 0.00 C ATOM 0 H ILE A 36 -11.174 9.194 -3.180 1.00 0.00 H new ATOM 0 HA ILE A 36 -8.834 7.582 -2.974 1.00 0.00 H new ATOM 0 HB ILE A 36 -11.454 6.983 -4.407 1.00 0.00 H new ATOM 0 HG12 ILE A 36 -11.833 7.750 -2.084 1.00 0.00 H new ATOM 0 HG13 ILE A 36 -12.276 6.071 -2.326 1.00 0.00 H new ATOM 0 HG21 ILE A 36 -10.885 4.640 -3.901 1.00 0.00 H new ATOM 0 HG22 ILE A 36 -9.642 5.415 -4.911 1.00 0.00 H new ATOM 0 HG23 ILE A 36 -9.352 5.173 -3.172 1.00 0.00 H new ATOM 0 HD11 ILE A 36 -11.103 6.369 -0.200 1.00 0.00 H new ATOM 0 HD12 ILE A 36 -10.150 5.347 -1.302 1.00 0.00 H new ATOM 0 HD13 ILE A 36 -9.699 7.051 -1.055 1.00 0.00 H new ATOM 542 N TYR A 37 -8.012 7.202 -5.342 1.00 0.00 N ATOM 543 CA TYR A 37 -7.378 7.210 -6.655 1.00 0.00 C ATOM 544 C TYR A 37 -7.330 5.803 -7.244 1.00 0.00 C ATOM 545 O TYR A 37 -7.416 5.625 -8.458 1.00 0.00 O ATOM 546 CB TYR A 37 -5.963 7.783 -6.558 1.00 0.00 C ATOM 547 CG TYR A 37 -4.931 6.774 -6.109 1.00 0.00 C ATOM 548 CD1 TYR A 37 -5.022 6.164 -4.864 1.00 0.00 C ATOM 549 CD2 TYR A 37 -3.863 6.432 -6.929 1.00 0.00 C ATOM 550 CE1 TYR A 37 -4.080 5.243 -4.449 1.00 0.00 C ATOM 551 CE2 TYR A 37 -2.917 5.510 -6.523 1.00 0.00 C ATOM 552 CZ TYR A 37 -3.030 4.918 -5.282 1.00 0.00 C ATOM 553 OH TYR A 37 -2.090 4.001 -4.874 1.00 0.00 O ATOM 0 H TYR A 37 -7.576 6.574 -4.667 1.00 0.00 H new ATOM 0 HA TYR A 37 -7.973 7.841 -7.315 1.00 0.00 H new ATOM 0 HB2 TYR A 37 -5.673 8.179 -7.531 1.00 0.00 H new ATOM 0 HB3 TYR A 37 -5.966 8.621 -5.861 1.00 0.00 H new ATOM 0 HD1 TYR A 37 -5.844 6.414 -4.209 1.00 0.00 H new ATOM 0 HD2 TYR A 37 -3.770 6.895 -7.900 1.00 0.00 H new ATOM 0 HE1 TYR A 37 -4.165 4.780 -3.477 1.00 0.00 H new ATOM 0 HE2 TYR A 37 -2.094 5.254 -7.174 1.00 0.00 H new ATOM 0 HH TYR A 37 -1.419 3.885 -5.578 1.00 0.00 H new ATOM 563 N GLU A 38 -7.192 4.808 -6.373 1.00 0.00 N ATOM 564 CA GLU A 38 -7.131 3.417 -6.807 1.00 0.00 C ATOM 565 C GLU A 38 -6.525 3.308 -8.203 1.00 0.00 C ATOM 566 O GLU A 38 -7.115 2.711 -9.103 1.00 0.00 O ATOM 567 CB GLU A 38 -8.530 2.796 -6.797 1.00 0.00 C ATOM 568 CG GLU A 38 -9.483 3.425 -7.799 1.00 0.00 C ATOM 569 CD GLU A 38 -10.331 4.523 -7.187 1.00 0.00 C ATOM 570 OE1 GLU A 38 -9.860 5.679 -7.137 1.00 0.00 O ATOM 571 OE2 GLU A 38 -11.466 4.226 -6.758 1.00 0.00 O ATOM 0 H GLU A 38 -7.120 4.939 -5.364 1.00 0.00 H new ATOM 0 HA GLU A 38 -6.494 2.873 -6.110 1.00 0.00 H new ATOM 0 HB2 GLU A 38 -8.446 1.730 -7.008 1.00 0.00 H new ATOM 0 HB3 GLU A 38 -8.953 2.891 -5.797 1.00 0.00 H new ATOM 0 HG2 GLU A 38 -8.911 3.834 -8.632 1.00 0.00 H new ATOM 0 HG3 GLU A 38 -10.135 2.653 -8.209 1.00 0.00 H new ATOM 578 N ARG A 39 -5.342 3.891 -8.375 1.00 0.00 N ATOM 579 CA ARG A 39 -4.656 3.861 -9.660 1.00 0.00 C ATOM 580 C ARG A 39 -3.406 2.989 -9.590 1.00 0.00 C ATOM 581 O ARG A 39 -2.661 2.876 -10.562 1.00 0.00 O ATOM 582 CB ARG A 39 -4.277 5.279 -10.093 1.00 0.00 C ATOM 583 CG ARG A 39 -3.761 5.363 -11.520 1.00 0.00 C ATOM 584 CD ARG A 39 -4.798 4.873 -12.518 1.00 0.00 C ATOM 585 NE ARG A 39 -4.363 5.063 -13.899 1.00 0.00 N ATOM 586 CZ ARG A 39 -5.098 4.731 -14.954 1.00 0.00 C ATOM 587 NH1 ARG A 39 -6.299 4.194 -14.787 1.00 0.00 N ATOM 588 NH2 ARG A 39 -4.632 4.935 -16.180 1.00 0.00 N ATOM 0 H ARG A 39 -4.840 4.389 -7.640 1.00 0.00 H new ATOM 0 HA ARG A 39 -5.336 3.432 -10.396 1.00 0.00 H new ATOM 0 HB2 ARG A 39 -5.149 5.926 -9.992 1.00 0.00 H new ATOM 0 HB3 ARG A 39 -3.514 5.665 -9.417 1.00 0.00 H new ATOM 0 HG2 ARG A 39 -3.492 6.394 -11.750 1.00 0.00 H new ATOM 0 HG3 ARG A 39 -2.853 4.767 -11.615 1.00 0.00 H new ATOM 0 HD2 ARG A 39 -4.998 3.816 -12.343 1.00 0.00 H new ATOM 0 HD3 ARG A 39 -5.735 5.405 -12.357 1.00 0.00 H new ATOM 0 HE ARG A 39 -3.444 5.473 -14.062 1.00 0.00 H new ATOM 0 HH11 ARG A 39 -6.660 4.035 -13.846 1.00 0.00 H new ATOM 0 HH12 ARG A 39 -6.861 3.940 -15.599 1.00 0.00 H new ATOM 0 HH21 ARG A 39 -3.708 5.347 -16.313 1.00 0.00 H new ATOM 0 HH22 ARG A 39 -5.197 4.680 -16.990 1.00 0.00 H new ATOM 602 N GLU A 40 -3.184 2.375 -8.432 1.00 0.00 N ATOM 603 CA GLU A 40 -2.024 1.514 -8.234 1.00 0.00 C ATOM 604 C GLU A 40 -0.786 2.108 -8.900 1.00 0.00 C ATOM 605 O GLU A 40 -0.035 1.406 -9.576 1.00 0.00 O ATOM 606 CB GLU A 40 -2.296 0.117 -8.795 1.00 0.00 C ATOM 607 CG GLU A 40 -2.499 0.094 -10.301 1.00 0.00 C ATOM 608 CD GLU A 40 -2.851 -1.286 -10.822 1.00 0.00 C ATOM 609 OE1 GLU A 40 -3.923 -1.806 -10.445 1.00 0.00 O ATOM 610 OE2 GLU A 40 -2.057 -1.845 -11.605 1.00 0.00 O ATOM 0 H GLU A 40 -3.792 2.458 -7.617 1.00 0.00 H new ATOM 0 HA GLU A 40 -1.839 1.438 -7.163 1.00 0.00 H new ATOM 0 HB2 GLU A 40 -1.462 -0.537 -8.539 1.00 0.00 H new ATOM 0 HB3 GLU A 40 -3.182 -0.293 -8.311 1.00 0.00 H new ATOM 0 HG2 GLU A 40 -3.293 0.792 -10.567 1.00 0.00 H new ATOM 0 HG3 GLU A 40 -1.590 0.442 -10.792 1.00 0.00 H new ATOM 617 N GLN A 41 -0.581 3.407 -8.702 1.00 0.00 N ATOM 618 CA GLN A 41 0.565 4.096 -9.284 1.00 0.00 C ATOM 619 C GLN A 41 1.231 5.006 -8.257 1.00 0.00 C ATOM 620 O GLN A 41 0.582 5.495 -7.331 1.00 0.00 O ATOM 621 CB GLN A 41 0.131 4.913 -10.502 1.00 0.00 C ATOM 622 CG GLN A 41 -0.662 6.161 -10.146 1.00 0.00 C ATOM 623 CD GLN A 41 -0.957 7.028 -11.354 1.00 0.00 C ATOM 624 OE1 GLN A 41 -0.632 6.668 -12.486 1.00 0.00 O ATOM 625 NE2 GLN A 41 -1.576 8.179 -11.119 1.00 0.00 N ATOM 0 H GLN A 41 -1.193 4.002 -8.144 1.00 0.00 H new ATOM 0 HA GLN A 41 1.288 3.344 -9.599 1.00 0.00 H new ATOM 0 HB2 GLN A 41 1.016 5.204 -11.068 1.00 0.00 H new ATOM 0 HB3 GLN A 41 -0.473 4.283 -11.155 1.00 0.00 H new ATOM 0 HG2 GLN A 41 -1.601 5.869 -9.675 1.00 0.00 H new ATOM 0 HG3 GLN A 41 -0.105 6.744 -9.412 1.00 0.00 H new ATOM 0 HE21 GLN A 41 -1.827 8.438 -10.165 1.00 0.00 H new ATOM 0 HE22 GLN A 41 -1.801 8.805 -11.893 1.00 0.00 H new ATOM 634 N LEU A 42 2.530 5.229 -8.427 1.00 0.00 N ATOM 635 CA LEU A 42 3.285 6.081 -7.515 1.00 0.00 C ATOM 636 C LEU A 42 3.388 7.503 -8.057 1.00 0.00 C ATOM 637 O LEU A 42 4.364 8.206 -7.798 1.00 0.00 O ATOM 638 CB LEU A 42 4.685 5.506 -7.290 1.00 0.00 C ATOM 639 CG LEU A 42 4.771 4.292 -6.364 1.00 0.00 C ATOM 640 CD1 LEU A 42 6.014 3.472 -6.674 1.00 0.00 C ATOM 641 CD2 LEU A 42 4.770 4.731 -4.907 1.00 0.00 C ATOM 0 H LEU A 42 3.082 4.832 -9.187 1.00 0.00 H new ATOM 0 HA LEU A 42 2.754 6.113 -6.563 1.00 0.00 H new ATOM 0 HB2 LEU A 42 5.102 5.230 -8.258 1.00 0.00 H new ATOM 0 HB3 LEU A 42 5.319 6.294 -6.883 1.00 0.00 H new ATOM 0 HG LEU A 42 3.895 3.666 -6.535 1.00 0.00 H new ATOM 0 HD11 LEU A 42 6.059 2.612 -6.005 1.00 0.00 H new ATOM 0 HD12 LEU A 42 5.974 3.127 -7.707 1.00 0.00 H new ATOM 0 HD13 LEU A 42 6.901 4.089 -6.532 1.00 0.00 H new ATOM 0 HD21 LEU A 42 4.832 3.854 -4.263 1.00 0.00 H new ATOM 0 HD22 LEU A 42 5.627 5.379 -4.722 1.00 0.00 H new ATOM 0 HD23 LEU A 42 3.851 5.275 -4.692 1.00 0.00 H new ATOM 653 N GLU A 43 2.373 7.919 -8.807 1.00 0.00 N ATOM 654 CA GLU A 43 2.349 9.259 -9.384 1.00 0.00 C ATOM 655 C GLU A 43 0.983 9.910 -9.191 1.00 0.00 C ATOM 656 O GLU A 43 0.059 9.680 -9.970 1.00 0.00 O ATOM 657 CB GLU A 43 2.694 9.202 -10.874 1.00 0.00 C ATOM 658 CG GLU A 43 4.185 9.104 -11.150 1.00 0.00 C ATOM 659 CD GLU A 43 4.522 9.314 -12.614 1.00 0.00 C ATOM 660 OE1 GLU A 43 4.317 10.439 -13.115 1.00 0.00 O ATOM 661 OE2 GLU A 43 4.992 8.352 -13.257 1.00 0.00 O ATOM 0 H GLU A 43 1.557 7.349 -9.030 1.00 0.00 H new ATOM 0 HA GLU A 43 3.096 9.863 -8.868 1.00 0.00 H new ATOM 0 HB2 GLU A 43 2.193 8.344 -11.322 1.00 0.00 H new ATOM 0 HB3 GLU A 43 2.300 10.092 -11.364 1.00 0.00 H new ATOM 0 HG2 GLU A 43 4.711 9.846 -10.550 1.00 0.00 H new ATOM 0 HG3 GLU A 43 4.546 8.125 -10.835 1.00 0.00 H new ATOM 668 N ALA A 44 0.864 10.724 -8.147 1.00 0.00 N ATOM 669 CA ALA A 44 -0.388 11.410 -7.852 1.00 0.00 C ATOM 670 C ALA A 44 -0.171 12.913 -7.719 1.00 0.00 C ATOM 671 O ALA A 44 0.873 13.362 -7.245 1.00 0.00 O ATOM 672 CB ALA A 44 -1.009 10.850 -6.581 1.00 0.00 C ATOM 0 H ALA A 44 1.619 10.924 -7.492 1.00 0.00 H new ATOM 0 HA ALA A 44 -1.072 11.240 -8.683 1.00 0.00 H new ATOM 0 HB1 ALA A 44 -1.943 11.371 -6.372 1.00 0.00 H new ATOM 0 HB2 ALA A 44 -1.208 9.786 -6.711 1.00 0.00 H new ATOM 0 HB3 ALA A 44 -0.321 10.991 -5.747 1.00 0.00 H new ATOM 678 N THR A 45 -1.165 13.689 -8.142 1.00 0.00 N ATOM 679 CA THR A 45 -1.082 15.143 -8.072 1.00 0.00 C ATOM 680 C THR A 45 -2.214 15.717 -7.228 1.00 0.00 C ATOM 681 O THR A 45 -3.338 15.215 -7.252 1.00 0.00 O ATOM 682 CB THR A 45 -1.131 15.776 -9.476 1.00 0.00 C ATOM 683 OG1 THR A 45 -0.058 15.272 -10.278 1.00 0.00 O ATOM 684 CG2 THR A 45 -1.038 17.292 -9.388 1.00 0.00 C ATOM 0 H THR A 45 -2.036 13.335 -8.536 1.00 0.00 H new ATOM 0 HA THR A 45 -0.127 15.384 -7.606 1.00 0.00 H new ATOM 0 HB THR A 45 -2.083 15.512 -9.938 1.00 0.00 H new ATOM 0 HG1 THR A 45 -0.097 15.678 -11.169 1.00 0.00 H new ATOM 0 HG21 THR A 45 -1.075 17.718 -10.391 1.00 0.00 H new ATOM 0 HG22 THR A 45 -1.873 17.674 -8.801 1.00 0.00 H new ATOM 0 HG23 THR A 45 -0.100 17.572 -8.909 1.00 0.00 H new ATOM 692 N CYS A 46 -1.911 16.775 -6.482 1.00 0.00 N ATOM 693 CA CYS A 46 -2.903 17.419 -5.629 1.00 0.00 C ATOM 694 C CYS A 46 -3.870 18.259 -6.459 1.00 0.00 C ATOM 695 O CYS A 46 -3.472 19.152 -7.206 1.00 0.00 O ATOM 696 CB CYS A 46 -2.213 18.299 -4.585 1.00 0.00 C ATOM 697 SG CYS A 46 -3.275 18.750 -3.175 1.00 0.00 S ATOM 0 H CYS A 46 -0.986 17.204 -6.451 1.00 0.00 H new ATOM 0 HA CYS A 46 -3.470 16.640 -5.120 1.00 0.00 H new ATOM 0 HB2 CYS A 46 -1.332 17.778 -4.211 1.00 0.00 H new ATOM 0 HB3 CYS A 46 -1.862 19.211 -5.068 1.00 0.00 H new ATOM 702 N PRO A 47 -5.172 17.966 -6.325 1.00 0.00 N ATOM 703 CA PRO A 47 -6.223 18.682 -7.054 1.00 0.00 C ATOM 704 C PRO A 47 -6.395 20.116 -6.563 1.00 0.00 C ATOM 705 O PRO A 47 -7.309 20.821 -6.987 1.00 0.00 O ATOM 706 CB PRO A 47 -7.481 17.862 -6.758 1.00 0.00 C ATOM 707 CG PRO A 47 -7.197 17.186 -5.462 1.00 0.00 C ATOM 708 CD PRO A 47 -5.718 16.913 -5.453 1.00 0.00 C ATOM 0 HA PRO A 47 -5.995 18.770 -8.116 1.00 0.00 H new ATOM 0 HB2 PRO A 47 -8.362 18.500 -6.687 1.00 0.00 H new ATOM 0 HB3 PRO A 47 -7.676 17.137 -7.548 1.00 0.00 H new ATOM 0 HG2 PRO A 47 -7.482 17.818 -4.621 1.00 0.00 H new ATOM 0 HG3 PRO A 47 -7.765 16.260 -5.372 1.00 0.00 H new ATOM 0 HD2 PRO A 47 -5.305 16.971 -4.446 1.00 0.00 H new ATOM 0 HD3 PRO A 47 -5.491 15.917 -5.834 1.00 0.00 H new ATOM 716 N GLN A 48 -5.509 20.540 -5.667 1.00 0.00 N ATOM 717 CA GLN A 48 -5.564 21.890 -5.118 1.00 0.00 C ATOM 718 C GLN A 48 -4.263 22.640 -5.388 1.00 0.00 C ATOM 719 O GLN A 48 -4.238 23.606 -6.151 1.00 0.00 O ATOM 720 CB GLN A 48 -5.836 21.841 -3.614 1.00 0.00 C ATOM 721 CG GLN A 48 -5.447 23.116 -2.884 1.00 0.00 C ATOM 722 CD GLN A 48 -6.552 24.154 -2.891 1.00 0.00 C ATOM 723 OE1 GLN A 48 -7.045 24.544 -3.950 1.00 0.00 O ATOM 724 NE2 GLN A 48 -6.947 24.607 -1.707 1.00 0.00 N ATOM 0 H GLN A 48 -4.745 19.969 -5.306 1.00 0.00 H new ATOM 0 HA GLN A 48 -6.378 22.423 -5.609 1.00 0.00 H new ATOM 0 HB2 GLN A 48 -6.896 21.648 -3.451 1.00 0.00 H new ATOM 0 HB3 GLN A 48 -5.289 21.003 -3.181 1.00 0.00 H new ATOM 0 HG2 GLN A 48 -5.187 22.875 -1.853 1.00 0.00 H new ATOM 0 HG3 GLN A 48 -4.555 23.538 -3.347 1.00 0.00 H new ATOM 0 HE21 GLN A 48 -6.510 24.256 -0.855 1.00 0.00 H new ATOM 0 HE22 GLN A 48 -7.687 25.306 -1.650 1.00 0.00 H new ATOM 733 N CYS A 49 -3.185 22.189 -4.756 1.00 0.00 N ATOM 734 CA CYS A 49 -1.880 22.817 -4.926 1.00 0.00 C ATOM 735 C CYS A 49 -1.199 22.321 -6.198 1.00 0.00 C ATOM 736 O CYS A 49 -0.303 22.976 -6.732 1.00 0.00 O ATOM 737 CB CYS A 49 -0.991 22.532 -3.714 1.00 0.00 C ATOM 738 SG CYS A 49 -0.489 20.788 -3.554 1.00 0.00 S ATOM 0 H CYS A 49 -3.189 21.391 -4.121 1.00 0.00 H new ATOM 0 HA CYS A 49 -2.031 23.893 -5.012 1.00 0.00 H new ATOM 0 HB2 CYS A 49 -0.097 23.152 -3.779 1.00 0.00 H new ATOM 0 HB3 CYS A 49 -1.521 22.831 -2.810 1.00 0.00 H new ATOM 743 N HIS A 50 -1.629 21.158 -6.678 1.00 0.00 N ATOM 744 CA HIS A 50 -1.062 20.573 -7.888 1.00 0.00 C ATOM 745 C HIS A 50 0.382 20.138 -7.655 1.00 0.00 C ATOM 746 O HIS A 50 1.251 20.366 -8.496 1.00 0.00 O ATOM 747 CB HIS A 50 -1.125 21.575 -9.041 1.00 0.00 C ATOM 748 CG HIS A 50 -2.470 22.211 -9.209 1.00 0.00 C ATOM 749 ND1 HIS A 50 -2.686 23.565 -9.062 1.00 0.00 N ATOM 750 CD2 HIS A 50 -3.673 21.671 -9.515 1.00 0.00 C ATOM 751 CE1 HIS A 50 -3.963 23.830 -9.269 1.00 0.00 C ATOM 752 NE2 HIS A 50 -4.585 22.698 -9.545 1.00 0.00 N ATOM 0 H HIS A 50 -2.368 20.602 -6.247 1.00 0.00 H new ATOM 0 HA HIS A 50 -1.651 19.693 -8.148 1.00 0.00 H new ATOM 0 HB2 HIS A 50 -0.382 22.355 -8.875 1.00 0.00 H new ATOM 0 HB3 HIS A 50 -0.854 21.068 -9.967 1.00 0.00 H new ATOM 0 HD2 HIS A 50 -3.878 20.627 -9.701 1.00 0.00 H new ATOM 0 HE1 HIS A 50 -4.421 24.807 -9.221 1.00 0.00 H new ATOM 0 HE2 HIS A 50 -5.580 22.602 -9.747 1.00 0.00 H new ATOM 760 N GLN A 51 0.629 19.511 -6.509 1.00 0.00 N ATOM 761 CA GLN A 51 1.967 19.046 -6.166 1.00 0.00 C ATOM 762 C GLN A 51 2.061 17.528 -6.280 1.00 0.00 C ATOM 763 O GLN A 51 1.246 16.800 -5.712 1.00 0.00 O ATOM 764 CB GLN A 51 2.336 19.487 -4.749 1.00 0.00 C ATOM 765 CG GLN A 51 3.834 19.610 -4.520 1.00 0.00 C ATOM 766 CD GLN A 51 4.474 18.294 -4.126 1.00 0.00 C ATOM 767 OE1 GLN A 51 4.970 17.552 -4.974 1.00 0.00 O ATOM 768 NE2 GLN A 51 4.467 17.996 -2.832 1.00 0.00 N ATOM 0 H GLN A 51 -0.080 19.314 -5.803 1.00 0.00 H new ATOM 0 HA GLN A 51 2.670 19.489 -6.871 1.00 0.00 H new ATOM 0 HB2 GLN A 51 1.865 20.448 -4.543 1.00 0.00 H new ATOM 0 HB3 GLN A 51 1.926 18.772 -4.036 1.00 0.00 H new ATOM 0 HG2 GLN A 51 4.307 19.982 -5.429 1.00 0.00 H new ATOM 0 HG3 GLN A 51 4.019 20.348 -3.739 1.00 0.00 H new ATOM 0 HE21 GLN A 51 4.045 18.640 -2.163 1.00 0.00 H new ATOM 0 HE22 GLN A 51 4.884 17.123 -2.507 1.00 0.00 H new ATOM 777 N THR A 52 3.061 17.055 -7.018 1.00 0.00 N ATOM 778 CA THR A 52 3.261 15.624 -7.207 1.00 0.00 C ATOM 779 C THR A 52 3.913 14.993 -5.982 1.00 0.00 C ATOM 780 O THR A 52 5.098 15.199 -5.722 1.00 0.00 O ATOM 781 CB THR A 52 4.134 15.338 -8.444 1.00 0.00 C ATOM 782 OG1 THR A 52 3.642 16.072 -9.571 1.00 0.00 O ATOM 783 CG2 THR A 52 4.144 13.851 -8.766 1.00 0.00 C ATOM 0 H THR A 52 3.745 17.643 -7.495 1.00 0.00 H new ATOM 0 HA THR A 52 2.275 15.184 -7.357 1.00 0.00 H new ATOM 0 HB THR A 52 5.154 15.653 -8.223 1.00 0.00 H new ATOM 0 HG1 THR A 52 4.203 15.886 -10.353 1.00 0.00 H new ATOM 0 HG21 THR A 52 4.767 13.673 -9.643 1.00 0.00 H new ATOM 0 HG22 THR A 52 4.546 13.298 -7.917 1.00 0.00 H new ATOM 0 HG23 THR A 52 3.127 13.516 -8.969 1.00 0.00 H new ATOM 791 N PHE A 53 3.131 14.222 -5.233 1.00 0.00 N ATOM 792 CA PHE A 53 3.633 13.561 -4.034 1.00 0.00 C ATOM 793 C PHE A 53 3.378 12.057 -4.096 1.00 0.00 C ATOM 794 O PHE A 53 2.385 11.607 -4.667 1.00 0.00 O ATOM 795 CB PHE A 53 2.974 14.151 -2.786 1.00 0.00 C ATOM 796 CG PHE A 53 1.523 13.788 -2.647 1.00 0.00 C ATOM 797 CD1 PHE A 53 0.549 14.501 -3.328 1.00 0.00 C ATOM 798 CD2 PHE A 53 1.133 12.735 -1.836 1.00 0.00 C ATOM 799 CE1 PHE A 53 -0.787 14.170 -3.201 1.00 0.00 C ATOM 800 CE2 PHE A 53 -0.202 12.399 -1.705 1.00 0.00 C ATOM 801 CZ PHE A 53 -1.163 13.117 -2.389 1.00 0.00 C ATOM 0 H PHE A 53 2.148 14.040 -5.435 1.00 0.00 H new ATOM 0 HA PHE A 53 4.709 13.728 -3.980 1.00 0.00 H new ATOM 0 HB2 PHE A 53 3.513 13.807 -1.903 1.00 0.00 H new ATOM 0 HB3 PHE A 53 3.068 15.237 -2.814 1.00 0.00 H new ATOM 0 HD1 PHE A 53 0.837 15.324 -3.965 1.00 0.00 H new ATOM 0 HD2 PHE A 53 1.881 12.170 -1.299 1.00 0.00 H new ATOM 0 HE1 PHE A 53 -1.537 14.734 -3.736 1.00 0.00 H new ATOM 0 HE2 PHE A 53 -0.493 11.576 -1.069 1.00 0.00 H new ATOM 0 HZ PHE A 53 -2.206 12.856 -2.290 1.00 0.00 H new ATOM 811 N CYS A 54 4.283 11.285 -3.503 1.00 0.00 N ATOM 812 CA CYS A 54 4.159 9.833 -3.490 1.00 0.00 C ATOM 813 C CYS A 54 2.861 9.404 -2.812 1.00 0.00 C ATOM 814 O CYS A 54 2.323 10.120 -1.967 1.00 0.00 O ATOM 815 CB CYS A 54 5.354 9.204 -2.772 1.00 0.00 C ATOM 816 SG CYS A 54 5.469 7.396 -2.961 1.00 0.00 S ATOM 0 H CYS A 54 5.111 11.642 -3.025 1.00 0.00 H new ATOM 0 HA CYS A 54 4.141 9.486 -4.523 1.00 0.00 H new ATOM 0 HB2 CYS A 54 6.271 9.657 -3.150 1.00 0.00 H new ATOM 0 HB3 CYS A 54 5.294 9.444 -1.711 1.00 0.00 H new ATOM 821 N VAL A 55 2.363 8.231 -3.189 1.00 0.00 N ATOM 822 CA VAL A 55 1.129 7.705 -2.617 1.00 0.00 C ATOM 823 C VAL A 55 1.418 6.795 -1.429 1.00 0.00 C ATOM 824 O VAL A 55 0.525 6.483 -0.640 1.00 0.00 O ATOM 825 CB VAL A 55 0.314 6.922 -3.663 1.00 0.00 C ATOM 826 CG1 VAL A 55 -0.097 7.832 -4.810 1.00 0.00 C ATOM 827 CG2 VAL A 55 1.110 5.731 -4.176 1.00 0.00 C ATOM 0 H VAL A 55 2.795 7.627 -3.888 1.00 0.00 H new ATOM 0 HA VAL A 55 0.546 8.562 -2.281 1.00 0.00 H new ATOM 0 HB VAL A 55 -0.591 6.547 -3.186 1.00 0.00 H new ATOM 0 HG11 VAL A 55 -0.672 7.261 -5.539 1.00 0.00 H new ATOM 0 HG12 VAL A 55 -0.708 8.649 -4.425 1.00 0.00 H new ATOM 0 HG13 VAL A 55 0.794 8.239 -5.289 1.00 0.00 H new ATOM 0 HG21 VAL A 55 0.519 5.189 -4.914 1.00 0.00 H new ATOM 0 HG22 VAL A 55 2.033 6.082 -4.637 1.00 0.00 H new ATOM 0 HG23 VAL A 55 1.349 5.068 -3.345 1.00 0.00 H new ATOM 837 N ARG A 56 2.672 6.371 -1.306 1.00 0.00 N ATOM 838 CA ARG A 56 3.079 5.495 -0.214 1.00 0.00 C ATOM 839 C ARG A 56 3.591 6.307 0.972 1.00 0.00 C ATOM 840 O ARG A 56 2.947 6.370 2.019 1.00 0.00 O ATOM 841 CB ARG A 56 4.163 4.525 -0.688 1.00 0.00 C ATOM 842 CG ARG A 56 3.621 3.342 -1.473 1.00 0.00 C ATOM 843 CD ARG A 56 4.733 2.389 -1.884 1.00 0.00 C ATOM 844 NE ARG A 56 4.210 1.157 -2.468 1.00 0.00 N ATOM 845 CZ ARG A 56 4.968 0.113 -2.781 1.00 0.00 C ATOM 846 NH1 ARG A 56 6.276 0.150 -2.566 1.00 0.00 N ATOM 847 NH2 ARG A 56 4.418 -0.973 -3.310 1.00 0.00 N ATOM 0 H ARG A 56 3.423 6.620 -1.949 1.00 0.00 H new ATOM 0 HA ARG A 56 2.207 4.926 0.107 1.00 0.00 H new ATOM 0 HB2 ARG A 56 4.876 5.066 -1.309 1.00 0.00 H new ATOM 0 HB3 ARG A 56 4.711 4.155 0.178 1.00 0.00 H new ATOM 0 HG2 ARG A 56 2.888 2.808 -0.868 1.00 0.00 H new ATOM 0 HG3 ARG A 56 3.101 3.701 -2.361 1.00 0.00 H new ATOM 0 HD2 ARG A 56 5.386 2.883 -2.604 1.00 0.00 H new ATOM 0 HD3 ARG A 56 5.343 2.147 -1.014 1.00 0.00 H new ATOM 0 HE ARG A 56 3.207 1.095 -2.645 1.00 0.00 H new ATOM 0 HH11 ARG A 56 6.703 0.982 -2.159 1.00 0.00 H new ATOM 0 HH12 ARG A 56 6.855 -0.654 -2.808 1.00 0.00 H new ATOM 0 HH21 ARG A 56 3.412 -1.006 -3.476 1.00 0.00 H new ATOM 0 HH22 ARG A 56 5.001 -1.775 -3.550 1.00 0.00 H new ATOM 861 N CYS A 57 4.754 6.927 0.800 1.00 0.00 N ATOM 862 CA CYS A 57 5.354 7.735 1.855 1.00 0.00 C ATOM 863 C CYS A 57 4.614 9.059 2.014 1.00 0.00 C ATOM 864 O CYS A 57 4.638 9.674 3.081 1.00 0.00 O ATOM 865 CB CYS A 57 6.830 7.996 1.549 1.00 0.00 C ATOM 866 SG CYS A 57 7.153 8.518 -0.166 1.00 0.00 S ATOM 0 H CYS A 57 5.300 6.885 -0.061 1.00 0.00 H new ATOM 0 HA CYS A 57 5.276 7.182 2.791 1.00 0.00 H new ATOM 0 HB2 CYS A 57 7.200 8.765 2.227 1.00 0.00 H new ATOM 0 HB3 CYS A 57 7.399 7.089 1.755 1.00 0.00 H new ATOM 871 N LYS A 58 3.955 9.495 0.945 1.00 0.00 N ATOM 872 CA LYS A 58 3.206 10.745 0.964 1.00 0.00 C ATOM 873 C LYS A 58 4.141 11.937 1.141 1.00 0.00 C ATOM 874 O LYS A 58 3.888 12.821 1.960 1.00 0.00 O ATOM 875 CB LYS A 58 2.169 10.726 2.089 1.00 0.00 C ATOM 876 CG LYS A 58 0.786 10.295 1.634 1.00 0.00 C ATOM 877 CD LYS A 58 0.751 8.819 1.273 1.00 0.00 C ATOM 878 CE LYS A 58 -0.608 8.205 1.569 1.00 0.00 C ATOM 879 NZ LYS A 58 -0.740 7.813 3.000 1.00 0.00 N ATOM 0 H LYS A 58 3.925 9.000 0.054 1.00 0.00 H new ATOM 0 HA LYS A 58 2.693 10.846 0.007 1.00 0.00 H new ATOM 0 HB2 LYS A 58 2.510 10.052 2.875 1.00 0.00 H new ATOM 0 HB3 LYS A 58 2.104 11.721 2.529 1.00 0.00 H new ATOM 0 HG2 LYS A 58 0.063 10.494 2.425 1.00 0.00 H new ATOM 0 HG3 LYS A 58 0.485 10.889 0.771 1.00 0.00 H new ATOM 0 HD2 LYS A 58 0.984 8.696 0.215 1.00 0.00 H new ATOM 0 HD3 LYS A 58 1.521 8.288 1.833 1.00 0.00 H new ATOM 0 HE2 LYS A 58 -1.392 8.918 1.314 1.00 0.00 H new ATOM 0 HE3 LYS A 58 -0.756 7.329 0.937 1.00 0.00 H new ATOM 0 HZ1 LYS A 58 -1.680 7.399 3.161 1.00 0.00 H new ATOM 0 HZ2 LYS A 58 -0.008 7.113 3.237 1.00 0.00 H new ATOM 0 HZ3 LYS A 58 -0.624 8.653 3.602 1.00 0.00 H new ATOM 893 N ARG A 59 5.222 11.956 0.367 1.00 0.00 N ATOM 894 CA ARG A 59 6.194 13.040 0.438 1.00 0.00 C ATOM 895 C ARG A 59 6.425 13.654 -0.939 1.00 0.00 C ATOM 896 O ARG A 59 5.894 13.174 -1.940 1.00 0.00 O ATOM 897 CB ARG A 59 7.518 12.529 1.009 1.00 0.00 C ATOM 898 CG ARG A 59 8.437 11.918 -0.037 1.00 0.00 C ATOM 899 CD ARG A 59 9.863 11.799 0.477 1.00 0.00 C ATOM 900 NE ARG A 59 10.654 12.990 0.180 1.00 0.00 N ATOM 901 CZ ARG A 59 11.233 13.740 1.111 1.00 0.00 C ATOM 902 NH1 ARG A 59 11.110 13.422 2.393 1.00 0.00 N ATOM 903 NH2 ARG A 59 11.936 14.809 0.762 1.00 0.00 N ATOM 0 H ARG A 59 5.446 11.233 -0.316 1.00 0.00 H new ATOM 0 HA ARG A 59 5.795 13.810 1.098 1.00 0.00 H new ATOM 0 HB2 ARG A 59 8.036 13.354 1.498 1.00 0.00 H new ATOM 0 HB3 ARG A 59 7.309 11.784 1.777 1.00 0.00 H new ATOM 0 HG2 ARG A 59 8.066 10.932 -0.317 1.00 0.00 H new ATOM 0 HG3 ARG A 59 8.424 12.531 -0.938 1.00 0.00 H new ATOM 0 HD2 ARG A 59 9.847 11.634 1.554 1.00 0.00 H new ATOM 0 HD3 ARG A 59 10.338 10.927 0.028 1.00 0.00 H new ATOM 0 HE ARG A 59 10.768 13.261 -0.797 1.00 0.00 H new ATOM 0 HH11 ARG A 59 10.570 12.600 2.665 1.00 0.00 H new ATOM 0 HH12 ARG A 59 11.555 13.999 3.107 1.00 0.00 H new ATOM 0 HH21 ARG A 59 12.033 15.057 -0.223 1.00 0.00 H new ATOM 0 HH22 ARG A 59 12.380 15.384 1.478 1.00 0.00 H new ATOM 917 N GLN A 60 7.220 14.719 -0.980 1.00 0.00 N ATOM 918 CA GLN A 60 7.520 15.400 -2.235 1.00 0.00 C ATOM 919 C GLN A 60 8.151 14.439 -3.238 1.00 0.00 C ATOM 920 O GLN A 60 9.303 14.036 -3.085 1.00 0.00 O ATOM 921 CB GLN A 60 8.456 16.583 -1.986 1.00 0.00 C ATOM 922 CG GLN A 60 8.322 17.692 -3.017 1.00 0.00 C ATOM 923 CD GLN A 60 9.045 18.960 -2.608 1.00 0.00 C ATOM 924 OE1 GLN A 60 10.271 18.981 -2.497 1.00 0.00 O ATOM 925 NE2 GLN A 60 8.288 20.027 -2.381 1.00 0.00 N ATOM 0 H GLN A 60 7.667 15.129 -0.160 1.00 0.00 H new ATOM 0 HA GLN A 60 6.583 15.769 -2.653 1.00 0.00 H new ATOM 0 HB2 GLN A 60 8.255 16.992 -0.996 1.00 0.00 H new ATOM 0 HB3 GLN A 60 9.486 16.226 -1.980 1.00 0.00 H new ATOM 0 HG2 GLN A 60 8.717 17.345 -3.972 1.00 0.00 H new ATOM 0 HG3 GLN A 60 7.266 17.914 -3.171 1.00 0.00 H new ATOM 0 HE21 GLN A 60 7.275 19.965 -2.485 1.00 0.00 H new ATOM 0 HE22 GLN A 60 8.719 20.908 -2.103 1.00 0.00 H new ATOM 934 N TRP A 61 7.388 14.078 -4.263 1.00 0.00 N ATOM 935 CA TRP A 61 7.872 13.164 -5.291 1.00 0.00 C ATOM 936 C TRP A 61 9.230 13.612 -5.821 1.00 0.00 C ATOM 937 O TRP A 61 9.608 14.774 -5.681 1.00 0.00 O ATOM 938 CB TRP A 61 6.867 13.077 -6.440 1.00 0.00 C ATOM 939 CG TRP A 61 7.164 11.972 -7.408 1.00 0.00 C ATOM 940 CD1 TRP A 61 7.545 12.105 -8.712 1.00 0.00 C ATOM 941 CD2 TRP A 61 7.103 10.565 -7.147 1.00 0.00 C ATOM 942 NE1 TRP A 61 7.724 10.866 -9.278 1.00 0.00 N ATOM 943 CE2 TRP A 61 7.461 9.905 -8.339 1.00 0.00 C ATOM 944 CE3 TRP A 61 6.783 9.799 -6.022 1.00 0.00 C ATOM 945 CZ2 TRP A 61 7.505 8.516 -8.435 1.00 0.00 C ATOM 946 CZ3 TRP A 61 6.828 8.422 -6.120 1.00 0.00 C ATOM 947 CH2 TRP A 61 7.187 7.792 -7.319 1.00 0.00 C ATOM 0 H TRP A 61 6.432 14.404 -4.405 1.00 0.00 H new ATOM 0 HA TRP A 61 7.985 12.178 -4.841 1.00 0.00 H new ATOM 0 HB2 TRP A 61 5.868 12.931 -6.029 1.00 0.00 H new ATOM 0 HB3 TRP A 61 6.856 14.026 -6.976 1.00 0.00 H new ATOM 0 HD1 TRP A 61 7.685 13.046 -9.224 1.00 0.00 H new ATOM 0 HE1 TRP A 61 8.007 10.690 -10.242 1.00 0.00 H new ATOM 0 HE3 TRP A 61 6.506 10.275 -5.093 1.00 0.00 H new ATOM 0 HZ2 TRP A 61 7.781 8.028 -9.358 1.00 0.00 H new ATOM 0 HZ3 TRP A 61 6.582 7.820 -5.257 1.00 0.00 H new ATOM 0 HH2 TRP A 61 7.213 6.713 -7.363 1.00 0.00 H new ATOM 958 N GLU A 62 9.959 12.681 -6.429 1.00 0.00 N ATOM 959 CA GLU A 62 11.276 12.982 -6.979 1.00 0.00 C ATOM 960 C GLU A 62 11.628 12.018 -8.108 1.00 0.00 C ATOM 961 O GLU A 62 11.394 10.814 -8.004 1.00 0.00 O ATOM 962 CB GLU A 62 12.340 12.910 -5.881 1.00 0.00 C ATOM 963 CG GLU A 62 13.736 13.270 -6.362 1.00 0.00 C ATOM 964 CD GLU A 62 14.011 14.759 -6.291 1.00 0.00 C ATOM 965 OE1 GLU A 62 13.418 15.432 -5.422 1.00 0.00 O ATOM 966 OE2 GLU A 62 14.820 15.252 -7.105 1.00 0.00 O ATOM 0 H GLU A 62 9.661 11.714 -6.553 1.00 0.00 H new ATOM 0 HA GLU A 62 11.250 13.994 -7.384 1.00 0.00 H new ATOM 0 HB2 GLU A 62 12.059 13.582 -5.070 1.00 0.00 H new ATOM 0 HB3 GLU A 62 12.356 11.902 -5.468 1.00 0.00 H new ATOM 0 HG2 GLU A 62 14.472 12.739 -5.759 1.00 0.00 H new ATOM 0 HG3 GLU A 62 13.861 12.930 -7.390 1.00 0.00 H new ATOM 973 N GLU A 63 12.190 12.557 -9.185 1.00 0.00 N ATOM 974 CA GLU A 63 12.572 11.744 -10.334 1.00 0.00 C ATOM 975 C GLU A 63 13.298 10.478 -9.888 1.00 0.00 C ATOM 976 O GLU A 63 13.052 9.392 -10.412 1.00 0.00 O ATOM 977 CB GLU A 63 13.464 12.549 -11.282 1.00 0.00 C ATOM 978 CG GLU A 63 12.746 13.705 -11.957 1.00 0.00 C ATOM 979 CD GLU A 63 13.686 14.590 -12.753 1.00 0.00 C ATOM 980 OE1 GLU A 63 14.704 14.072 -13.258 1.00 0.00 O ATOM 981 OE2 GLU A 63 13.403 15.801 -12.871 1.00 0.00 O ATOM 0 H GLU A 63 12.391 13.552 -9.286 1.00 0.00 H new ATOM 0 HA GLU A 63 11.662 11.454 -10.860 1.00 0.00 H new ATOM 0 HB2 GLU A 63 14.316 12.937 -10.724 1.00 0.00 H new ATOM 0 HB3 GLU A 63 13.862 11.882 -12.047 1.00 0.00 H new ATOM 0 HG2 GLU A 63 11.975 13.312 -12.619 1.00 0.00 H new ATOM 0 HG3 GLU A 63 12.241 14.306 -11.201 1.00 0.00 H new ATOM 988 N GLN A 64 14.193 10.627 -8.916 1.00 0.00 N ATOM 989 CA GLN A 64 14.955 9.496 -8.400 1.00 0.00 C ATOM 990 C GLN A 64 14.034 8.472 -7.746 1.00 0.00 C ATOM 991 O GLN A 64 14.221 7.265 -7.902 1.00 0.00 O ATOM 992 CB GLN A 64 16.001 9.977 -7.393 1.00 0.00 C ATOM 993 CG GLN A 64 16.922 11.055 -7.939 1.00 0.00 C ATOM 994 CD GLN A 64 17.632 10.628 -9.209 1.00 0.00 C ATOM 995 OE1 GLN A 64 17.990 9.461 -9.371 1.00 0.00 O ATOM 996 NE2 GLN A 64 17.839 11.574 -10.118 1.00 0.00 N ATOM 0 H GLN A 64 14.408 11.519 -8.471 1.00 0.00 H new ATOM 0 HA GLN A 64 15.461 9.018 -9.238 1.00 0.00 H new ATOM 0 HB2 GLN A 64 15.492 10.360 -6.508 1.00 0.00 H new ATOM 0 HB3 GLN A 64 16.602 9.126 -7.072 1.00 0.00 H new ATOM 0 HG2 GLN A 64 16.342 11.957 -8.137 1.00 0.00 H new ATOM 0 HG3 GLN A 64 17.663 11.312 -7.182 1.00 0.00 H new ATOM 0 HE21 GLN A 64 17.525 12.528 -9.941 1.00 0.00 H new ATOM 0 HE22 GLN A 64 18.312 11.346 -10.993 1.00 0.00 H new ATOM 1005 N HIS A 65 13.039 8.961 -7.013 1.00 0.00 N ATOM 1006 CA HIS A 65 12.088 8.088 -6.335 1.00 0.00 C ATOM 1007 C HIS A 65 11.367 7.189 -7.335 1.00 0.00 C ATOM 1008 O HIS A 65 11.062 6.034 -7.038 1.00 0.00 O ATOM 1009 CB HIS A 65 11.070 8.917 -5.551 1.00 0.00 C ATOM 1010 CG HIS A 65 10.392 8.154 -4.455 1.00 0.00 C ATOM 1011 ND1 HIS A 65 10.195 6.790 -4.498 1.00 0.00 N ATOM 1012 CD2 HIS A 65 9.867 8.572 -3.279 1.00 0.00 C ATOM 1013 CE1 HIS A 65 9.575 6.403 -3.398 1.00 0.00 C ATOM 1014 NE2 HIS A 65 9.365 7.465 -2.641 1.00 0.00 N ATOM 0 H HIS A 65 12.870 9.957 -6.873 1.00 0.00 H new ATOM 0 HA HIS A 65 12.643 7.458 -5.641 1.00 0.00 H new ATOM 0 HB2 HIS A 65 11.573 9.783 -5.122 1.00 0.00 H new ATOM 0 HB3 HIS A 65 10.315 9.296 -6.240 1.00 0.00 H new ATOM 0 HD1 HIS A 65 10.483 6.176 -5.260 1.00 0.00 H new ATOM 0 HD2 HIS A 65 9.847 9.587 -2.911 1.00 0.00 H new ATOM 0 HE1 HIS A 65 9.288 5.390 -3.158 1.00 0.00 H new ATOM 1022 N ARG A 66 11.097 7.727 -8.520 1.00 0.00 N ATOM 1023 CA ARG A 66 10.411 6.974 -9.562 1.00 0.00 C ATOM 1024 C ARG A 66 11.022 5.586 -9.723 1.00 0.00 C ATOM 1025 O ARG A 66 10.334 4.574 -9.596 1.00 0.00 O ATOM 1026 CB ARG A 66 10.475 7.728 -10.892 1.00 0.00 C ATOM 1027 CG ARG A 66 9.974 9.160 -10.805 1.00 0.00 C ATOM 1028 CD ARG A 66 9.580 9.697 -12.172 1.00 0.00 C ATOM 1029 NE ARG A 66 10.725 10.237 -12.899 1.00 0.00 N ATOM 1030 CZ ARG A 66 11.532 9.498 -13.652 1.00 0.00 C ATOM 1031 NH1 ARG A 66 11.320 8.195 -13.777 1.00 0.00 N ATOM 1032 NH2 ARG A 66 12.554 10.062 -14.283 1.00 0.00 N ATOM 0 H ARG A 66 11.343 8.682 -8.782 1.00 0.00 H new ATOM 0 HA ARG A 66 9.368 6.861 -9.266 1.00 0.00 H new ATOM 0 HB2 ARG A 66 11.505 7.734 -11.248 1.00 0.00 H new ATOM 0 HB3 ARG A 66 9.885 7.190 -11.634 1.00 0.00 H new ATOM 0 HG2 ARG A 66 9.116 9.206 -10.134 1.00 0.00 H new ATOM 0 HG3 ARG A 66 10.750 9.793 -10.374 1.00 0.00 H new ATOM 0 HD2 ARG A 66 9.123 8.899 -12.757 1.00 0.00 H new ATOM 0 HD3 ARG A 66 8.827 10.476 -12.052 1.00 0.00 H new ATOM 0 HE ARG A 66 10.916 11.236 -12.825 1.00 0.00 H new ATOM 0 HH11 ARG A 66 10.535 7.757 -13.294 1.00 0.00 H new ATOM 0 HH12 ARG A 66 11.942 7.630 -14.356 1.00 0.00 H new ATOM 0 HH21 ARG A 66 12.721 11.064 -14.190 1.00 0.00 H new ATOM 0 HH22 ARG A 66 13.173 9.494 -14.861 1.00 0.00 H new ATOM 1046 N GLY A 67 12.321 5.546 -10.004 1.00 0.00 N ATOM 1047 CA GLY A 67 13.004 4.277 -10.178 1.00 0.00 C ATOM 1048 C GLY A 67 13.404 3.648 -8.858 1.00 0.00 C ATOM 1049 O GLY A 67 14.291 2.796 -8.812 1.00 0.00 O ATOM 0 H GLY A 67 12.913 6.370 -10.114 1.00 0.00 H new ATOM 0 HA2 GLY A 67 12.355 3.591 -10.722 1.00 0.00 H new ATOM 0 HA3 GLY A 67 13.894 4.428 -10.790 1.00 0.00 H new ATOM 1053 N ARG A 68 12.750 4.070 -7.781 1.00 0.00 N ATOM 1054 CA ARG A 68 13.045 3.544 -6.453 1.00 0.00 C ATOM 1055 C ARG A 68 11.790 3.524 -5.585 1.00 0.00 C ATOM 1056 O ARG A 68 10.698 3.853 -6.048 1.00 0.00 O ATOM 1057 CB ARG A 68 14.131 4.384 -5.779 1.00 0.00 C ATOM 1058 CG ARG A 68 15.463 4.357 -6.509 1.00 0.00 C ATOM 1059 CD ARG A 68 16.354 5.514 -6.086 1.00 0.00 C ATOM 1060 NE ARG A 68 17.674 5.445 -6.707 1.00 0.00 N ATOM 1061 CZ ARG A 68 18.637 4.626 -6.298 1.00 0.00 C ATOM 1062 NH1 ARG A 68 18.427 3.811 -5.273 1.00 0.00 N ATOM 1063 NH2 ARG A 68 19.812 4.620 -6.914 1.00 0.00 N ATOM 0 H ARG A 68 12.013 4.774 -7.802 1.00 0.00 H new ATOM 0 HA ARG A 68 13.404 2.521 -6.566 1.00 0.00 H new ATOM 0 HB2 ARG A 68 13.787 5.416 -5.706 1.00 0.00 H new ATOM 0 HB3 ARG A 68 14.277 4.024 -4.761 1.00 0.00 H new ATOM 0 HG2 ARG A 68 15.970 3.413 -6.308 1.00 0.00 H new ATOM 0 HG3 ARG A 68 15.291 4.403 -7.584 1.00 0.00 H new ATOM 0 HD2 ARG A 68 15.876 6.456 -6.354 1.00 0.00 H new ATOM 0 HD3 ARG A 68 16.463 5.510 -5.001 1.00 0.00 H new ATOM 0 HE ARG A 68 17.867 6.059 -7.498 1.00 0.00 H new ATOM 0 HH11 ARG A 68 17.525 3.812 -4.797 1.00 0.00 H new ATOM 0 HH12 ARG A 68 19.168 3.183 -4.961 1.00 0.00 H new ATOM 0 HH21 ARG A 68 19.977 5.245 -7.703 1.00 0.00 H new ATOM 0 HH22 ARG A 68 20.550 3.991 -6.599 1.00 0.00 H new ATOM 1077 N SER A 69 11.955 3.136 -4.325 1.00 0.00 N ATOM 1078 CA SER A 69 10.835 3.069 -3.393 1.00 0.00 C ATOM 1079 C SER A 69 11.013 4.070 -2.256 1.00 0.00 C ATOM 1080 O SER A 69 12.017 4.779 -2.189 1.00 0.00 O ATOM 1081 CB SER A 69 10.700 1.654 -2.826 1.00 0.00 C ATOM 1082 OG SER A 69 11.891 1.252 -2.172 1.00 0.00 O ATOM 0 H SER A 69 12.853 2.863 -3.926 1.00 0.00 H new ATOM 0 HA SER A 69 9.926 3.323 -3.938 1.00 0.00 H new ATOM 0 HB2 SER A 69 9.866 1.618 -2.125 1.00 0.00 H new ATOM 0 HB3 SER A 69 10.470 0.956 -3.631 1.00 0.00 H new ATOM 0 HG SER A 69 11.779 0.345 -1.817 1.00 0.00 H new ATOM 1088 N CYS A 70 10.031 4.122 -1.363 1.00 0.00 N ATOM 1089 CA CYS A 70 10.077 5.036 -0.228 1.00 0.00 C ATOM 1090 C CYS A 70 11.307 4.771 0.635 1.00 0.00 C ATOM 1091 O CYS A 70 11.879 5.692 1.217 1.00 0.00 O ATOM 1092 CB CYS A 70 8.809 4.897 0.617 1.00 0.00 C ATOM 1093 SG CYS A 70 7.264 4.939 -0.347 1.00 0.00 S ATOM 0 H CYS A 70 9.193 3.542 -1.403 1.00 0.00 H new ATOM 0 HA CYS A 70 10.139 6.053 -0.615 1.00 0.00 H new ATOM 0 HB2 CYS A 70 8.855 3.958 1.169 1.00 0.00 H new ATOM 0 HB3 CYS A 70 8.787 5.700 1.354 1.00 0.00 H new ATOM 1098 N GLU A 71 11.709 3.506 0.710 1.00 0.00 N ATOM 1099 CA GLU A 71 12.871 3.120 1.502 1.00 0.00 C ATOM 1100 C GLU A 71 14.166 3.466 0.771 1.00 0.00 C ATOM 1101 O GLU A 71 14.949 4.297 1.233 1.00 0.00 O ATOM 1102 CB GLU A 71 12.832 1.622 1.811 1.00 0.00 C ATOM 1103 CG GLU A 71 13.986 1.148 2.677 1.00 0.00 C ATOM 1104 CD GLU A 71 13.748 -0.230 3.264 1.00 0.00 C ATOM 1105 OE1 GLU A 71 12.590 -0.529 3.622 1.00 0.00 O ATOM 1106 OE2 GLU A 71 14.720 -1.008 3.365 1.00 0.00 O ATOM 0 H GLU A 71 11.248 2.732 0.232 1.00 0.00 H new ATOM 0 HA GLU A 71 12.841 3.677 2.438 1.00 0.00 H new ATOM 0 HB2 GLU A 71 11.893 1.388 2.312 1.00 0.00 H new ATOM 0 HB3 GLU A 71 12.840 1.066 0.873 1.00 0.00 H new ATOM 0 HG2 GLU A 71 14.899 1.132 2.082 1.00 0.00 H new ATOM 0 HG3 GLU A 71 14.145 1.861 3.486 1.00 0.00 H new ATOM 1113 N ASP A 72 14.384 2.822 -0.370 1.00 0.00 N ATOM 1114 CA ASP A 72 15.583 3.061 -1.165 1.00 0.00 C ATOM 1115 C ASP A 72 15.745 4.547 -1.472 1.00 0.00 C ATOM 1116 O ASP A 72 16.847 5.089 -1.401 1.00 0.00 O ATOM 1117 CB ASP A 72 15.524 2.262 -2.468 1.00 0.00 C ATOM 1118 CG ASP A 72 16.017 0.839 -2.297 1.00 0.00 C ATOM 1119 OD1 ASP A 72 15.921 0.308 -1.171 1.00 0.00 O ATOM 1120 OD2 ASP A 72 16.499 0.255 -3.290 1.00 0.00 O ATOM 0 H ASP A 72 13.747 2.131 -0.765 1.00 0.00 H new ATOM 0 HA ASP A 72 16.445 2.732 -0.585 1.00 0.00 H new ATOM 0 HB2 ASP A 72 14.498 2.246 -2.835 1.00 0.00 H new ATOM 0 HB3 ASP A 72 16.126 2.763 -3.226 1.00 0.00 H new ATOM 1125 N PHE A 73 14.638 5.199 -1.814 1.00 0.00 N ATOM 1126 CA PHE A 73 14.658 6.621 -2.134 1.00 0.00 C ATOM 1127 C PHE A 73 15.348 7.418 -1.030 1.00 0.00 C ATOM 1128 O PHE A 73 16.275 8.184 -1.291 1.00 0.00 O ATOM 1129 CB PHE A 73 13.232 7.139 -2.336 1.00 0.00 C ATOM 1130 CG PHE A 73 13.165 8.611 -2.631 1.00 0.00 C ATOM 1131 CD1 PHE A 73 13.686 9.119 -3.810 1.00 0.00 C ATOM 1132 CD2 PHE A 73 12.582 9.485 -1.728 1.00 0.00 C ATOM 1133 CE1 PHE A 73 13.626 10.473 -4.083 1.00 0.00 C ATOM 1134 CE2 PHE A 73 12.519 10.840 -1.996 1.00 0.00 C ATOM 1135 CZ PHE A 73 13.041 11.334 -3.175 1.00 0.00 C ATOM 0 H PHE A 73 13.717 4.765 -1.876 1.00 0.00 H new ATOM 0 HA PHE A 73 15.221 6.752 -3.058 1.00 0.00 H new ATOM 0 HB2 PHE A 73 12.768 6.591 -3.156 1.00 0.00 H new ATOM 0 HB3 PHE A 73 12.647 6.929 -1.440 1.00 0.00 H new ATOM 0 HD1 PHE A 73 14.144 8.450 -4.524 1.00 0.00 H new ATOM 0 HD2 PHE A 73 12.172 9.104 -0.804 1.00 0.00 H new ATOM 0 HE1 PHE A 73 14.036 10.857 -5.005 1.00 0.00 H new ATOM 0 HE2 PHE A 73 12.062 11.511 -1.284 1.00 0.00 H new ATOM 0 HZ PHE A 73 12.992 12.392 -3.387 1.00 0.00 H new ATOM 1145 N GLN A 74 14.888 7.230 0.203 1.00 0.00 N ATOM 1146 CA GLN A 74 15.460 7.932 1.346 1.00 0.00 C ATOM 1147 C GLN A 74 16.977 7.777 1.376 1.00 0.00 C ATOM 1148 O GLN A 74 17.709 8.760 1.490 1.00 0.00 O ATOM 1149 CB GLN A 74 14.856 7.406 2.649 1.00 0.00 C ATOM 1150 CG GLN A 74 15.528 7.954 3.897 1.00 0.00 C ATOM 1151 CD GLN A 74 14.899 7.436 5.175 1.00 0.00 C ATOM 1152 OE1 GLN A 74 13.676 7.380 5.300 1.00 0.00 O ATOM 1153 NE2 GLN A 74 15.735 7.052 6.133 1.00 0.00 N ATOM 0 H GLN A 74 14.122 6.598 0.436 1.00 0.00 H new ATOM 0 HA GLN A 74 15.223 8.991 1.246 1.00 0.00 H new ATOM 0 HB2 GLN A 74 13.796 7.659 2.676 1.00 0.00 H new ATOM 0 HB3 GLN A 74 14.924 6.318 2.658 1.00 0.00 H new ATOM 0 HG2 GLN A 74 16.585 7.687 3.883 1.00 0.00 H new ATOM 0 HG3 GLN A 74 15.474 9.043 3.886 1.00 0.00 H new ATOM 0 HE21 GLN A 74 16.742 7.116 5.986 1.00 0.00 H new ATOM 0 HE22 GLN A 74 15.370 6.693 7.015 1.00 0.00 H new ATOM 1162 N ASN A 75 17.442 6.537 1.273 1.00 0.00 N ATOM 1163 CA ASN A 75 18.873 6.253 1.290 1.00 0.00 C ATOM 1164 C ASN A 75 19.605 7.088 0.244 1.00 0.00 C ATOM 1165 O ASN A 75 20.736 7.524 0.463 1.00 0.00 O ATOM 1166 CB ASN A 75 19.122 4.765 1.036 1.00 0.00 C ATOM 1167 CG ASN A 75 18.728 3.903 2.219 1.00 0.00 C ATOM 1168 OD1 ASN A 75 19.437 3.847 3.224 1.00 0.00 O ATOM 1169 ND2 ASN A 75 17.592 3.225 2.105 1.00 0.00 N ATOM 0 H ASN A 75 16.849 5.712 1.177 1.00 0.00 H new ATOM 0 HA ASN A 75 19.259 6.516 2.275 1.00 0.00 H new ATOM 0 HB2 ASN A 75 18.559 4.450 0.157 1.00 0.00 H new ATOM 0 HB3 ASN A 75 20.177 4.609 0.812 1.00 0.00 H new ATOM 0 HD21 ASN A 75 17.276 2.628 2.869 1.00 0.00 H new ATOM 0 HD22 ASN A 75 17.036 3.301 1.253 1.00 0.00 H new ATOM 1176 N TRP A 76 18.953 7.308 -0.892 1.00 0.00 N ATOM 1177 CA TRP A 76 19.541 8.092 -1.972 1.00 0.00 C ATOM 1178 C TRP A 76 19.595 9.571 -1.604 1.00 0.00 C ATOM 1179 O TRP A 76 20.470 10.305 -2.066 1.00 0.00 O ATOM 1180 CB TRP A 76 18.741 7.903 -3.262 1.00 0.00 C ATOM 1181 CG TRP A 76 19.234 8.751 -4.396 1.00 0.00 C ATOM 1182 CD1 TRP A 76 19.923 8.327 -5.496 1.00 0.00 C ATOM 1183 CD2 TRP A 76 19.075 10.166 -4.539 1.00 0.00 C ATOM 1184 NE1 TRP A 76 20.203 9.395 -6.314 1.00 0.00 N ATOM 1185 CE2 TRP A 76 19.693 10.534 -5.750 1.00 0.00 C ATOM 1186 CE3 TRP A 76 18.471 11.159 -3.763 1.00 0.00 C ATOM 1187 CZ2 TRP A 76 19.723 11.851 -6.201 1.00 0.00 C ATOM 1188 CZ3 TRP A 76 18.501 12.466 -4.211 1.00 0.00 C ATOM 1189 CH2 TRP A 76 19.123 12.803 -5.421 1.00 0.00 C ATOM 0 H TRP A 76 18.017 6.954 -1.089 1.00 0.00 H new ATOM 0 HA TRP A 76 20.560 7.739 -2.130 1.00 0.00 H new ATOM 0 HB2 TRP A 76 18.783 6.854 -3.557 1.00 0.00 H new ATOM 0 HB3 TRP A 76 17.694 8.139 -3.070 1.00 0.00 H new ATOM 0 HD1 TRP A 76 20.206 7.304 -5.694 1.00 0.00 H new ATOM 0 HE1 TRP A 76 20.709 9.347 -7.198 1.00 0.00 H new ATOM 0 HE3 TRP A 76 17.989 10.909 -2.829 1.00 0.00 H new ATOM 0 HZ2 TRP A 76 20.202 12.112 -7.133 1.00 0.00 H new ATOM 0 HZ3 TRP A 76 18.037 13.241 -3.619 1.00 0.00 H new ATOM 0 HH2 TRP A 76 19.129 13.833 -5.744 1.00 0.00 H new ATOM 1200 N LYS A 77 18.655 10.004 -0.771 1.00 0.00 N ATOM 1201 CA LYS A 77 18.595 11.395 -0.340 1.00 0.00 C ATOM 1202 C LYS A 77 19.724 11.711 0.637 1.00 0.00 C ATOM 1203 O LYS A 77 20.413 12.722 0.498 1.00 0.00 O ATOM 1204 CB LYS A 77 17.243 11.691 0.313 1.00 0.00 C ATOM 1205 CG LYS A 77 16.055 11.362 -0.574 1.00 0.00 C ATOM 1206 CD LYS A 77 15.911 12.364 -1.708 1.00 0.00 C ATOM 1207 CE LYS A 77 15.499 13.734 -1.192 1.00 0.00 C ATOM 1208 NZ LYS A 77 14.673 14.475 -2.186 1.00 0.00 N ATOM 0 H LYS A 77 17.923 9.410 -0.380 1.00 0.00 H new ATOM 0 HA LYS A 77 18.712 12.027 -1.220 1.00 0.00 H new ATOM 0 HB2 LYS A 77 17.163 11.121 1.239 1.00 0.00 H new ATOM 0 HB3 LYS A 77 17.203 12.746 0.584 1.00 0.00 H new ATOM 0 HG2 LYS A 77 16.174 10.360 -0.986 1.00 0.00 H new ATOM 0 HG3 LYS A 77 15.144 11.355 0.024 1.00 0.00 H new ATOM 0 HD2 LYS A 77 16.856 12.445 -2.245 1.00 0.00 H new ATOM 0 HD3 LYS A 77 15.169 12.004 -2.421 1.00 0.00 H new ATOM 0 HE2 LYS A 77 14.936 13.619 -0.266 1.00 0.00 H new ATOM 0 HE3 LYS A 77 16.390 14.316 -0.954 1.00 0.00 H new ATOM 0 HZ1 LYS A 77 14.412 15.404 -1.797 1.00 0.00 H new ATOM 0 HZ2 LYS A 77 15.219 14.607 -3.061 1.00 0.00 H new ATOM 0 HZ3 LYS A 77 13.811 13.932 -2.394 1.00 0.00 H new ATOM 1222 N ARG A 78 19.907 10.839 1.623 1.00 0.00 N ATOM 1223 CA ARG A 78 20.952 11.025 2.622 1.00 0.00 C ATOM 1224 C ARG A 78 22.335 10.978 1.979 1.00 0.00 C ATOM 1225 O ARG A 78 23.280 11.596 2.469 1.00 0.00 O ATOM 1226 CB ARG A 78 20.847 9.952 3.708 1.00 0.00 C ATOM 1227 CG ARG A 78 21.379 8.595 3.276 1.00 0.00 C ATOM 1228 CD ARG A 78 21.526 7.652 4.460 1.00 0.00 C ATOM 1229 NE ARG A 78 22.611 8.057 5.350 1.00 0.00 N ATOM 1230 CZ ARG A 78 22.929 7.406 6.463 1.00 0.00 C ATOM 1231 NH1 ARG A 78 22.250 6.325 6.821 1.00 0.00 N ATOM 1232 NH2 ARG A 78 23.930 7.836 7.221 1.00 0.00 N ATOM 0 H ARG A 78 19.345 9.997 1.751 1.00 0.00 H new ATOM 0 HA ARG A 78 20.814 12.007 3.075 1.00 0.00 H new ATOM 0 HB2 ARG A 78 21.395 10.284 4.589 1.00 0.00 H new ATOM 0 HB3 ARG A 78 19.803 9.847 4.003 1.00 0.00 H new ATOM 0 HG2 ARG A 78 20.705 8.156 2.541 1.00 0.00 H new ATOM 0 HG3 ARG A 78 22.345 8.720 2.787 1.00 0.00 H new ATOM 0 HD2 ARG A 78 20.591 7.623 5.019 1.00 0.00 H new ATOM 0 HD3 ARG A 78 21.712 6.641 4.098 1.00 0.00 H new ATOM 0 HE ARG A 78 23.154 8.885 5.103 1.00 0.00 H new ATOM 0 HH11 ARG A 78 21.481 5.991 6.241 1.00 0.00 H new ATOM 0 HH12 ARG A 78 22.497 5.828 7.677 1.00 0.00 H new ATOM 0 HH21 ARG A 78 24.455 8.667 6.949 1.00 0.00 H new ATOM 0 HH22 ARG A 78 24.174 7.336 8.076 1.00 0.00 H new ATOM 1246 N MET A 79 22.445 10.241 0.878 1.00 0.00 N ATOM 1247 CA MET A 79 23.712 10.115 0.167 1.00 0.00 C ATOM 1248 C MET A 79 23.906 11.271 -0.809 1.00 0.00 C ATOM 1249 O MET A 79 24.952 11.918 -0.818 1.00 0.00 O ATOM 1250 CB MET A 79 23.769 8.783 -0.585 1.00 0.00 C ATOM 1251 CG MET A 79 23.877 7.574 0.330 1.00 0.00 C ATOM 1252 SD MET A 79 24.432 6.094 -0.539 1.00 0.00 S ATOM 1253 CE MET A 79 23.286 6.060 -1.915 1.00 0.00 C ATOM 0 H MET A 79 21.673 9.723 0.459 1.00 0.00 H new ATOM 0 HA MET A 79 24.516 10.145 0.902 1.00 0.00 H new ATOM 0 HB2 MET A 79 22.875 8.684 -1.201 1.00 0.00 H new ATOM 0 HB3 MET A 79 24.623 8.794 -1.262 1.00 0.00 H new ATOM 0 HG2 MET A 79 24.571 7.797 1.140 1.00 0.00 H new ATOM 0 HG3 MET A 79 22.906 7.380 0.786 1.00 0.00 H new ATOM 0 HE1 MET A 79 23.331 5.086 -2.402 1.00 0.00 H new ATOM 0 HE2 MET A 79 22.274 6.237 -1.550 1.00 0.00 H new ATOM 0 HE3 MET A 79 23.555 6.836 -2.631 1.00 0.00 H new ATOM 1263 N ASN A 80 22.890 11.525 -1.628 1.00 0.00 N ATOM 1264 CA ASN A 80 22.950 12.604 -2.608 1.00 0.00 C ATOM 1265 C ASN A 80 22.820 13.964 -1.929 1.00 0.00 C ATOM 1266 O ASN A 80 23.747 14.773 -1.953 1.00 0.00 O ATOM 1267 CB ASN A 80 21.845 12.434 -3.652 1.00 0.00 C ATOM 1268 CG ASN A 80 22.168 11.354 -4.666 1.00 0.00 C ATOM 1269 OD1 ASN A 80 22.444 11.643 -5.830 1.00 0.00 O ATOM 1270 ND2 ASN A 80 22.134 10.101 -4.227 1.00 0.00 N ATOM 0 H ASN A 80 22.016 10.999 -1.633 1.00 0.00 H new ATOM 0 HA ASN A 80 23.919 12.558 -3.104 1.00 0.00 H new ATOM 0 HB2 ASN A 80 20.909 12.189 -3.150 1.00 0.00 H new ATOM 0 HB3 ASN A 80 21.690 13.380 -4.170 1.00 0.00 H new ATOM 0 HD21 ASN A 80 22.342 9.332 -4.864 1.00 0.00 H new ATOM 0 HD22 ASN A 80 21.900 9.908 -3.253 1.00 0.00 H new ATOM 1277 N SER A 81 21.662 14.208 -1.323 1.00 0.00 N ATOM 1278 CA SER A 81 21.409 15.471 -0.640 1.00 0.00 C ATOM 1279 C SER A 81 22.245 15.578 0.632 1.00 0.00 C ATOM 1280 O SER A 81 23.082 16.470 0.765 1.00 0.00 O ATOM 1281 CB SER A 81 19.923 15.601 -0.299 1.00 0.00 C ATOM 1282 OG SER A 81 19.215 16.245 -1.344 1.00 0.00 O ATOM 0 H SER A 81 20.885 13.548 -1.291 1.00 0.00 H new ATOM 0 HA SER A 81 21.694 16.282 -1.310 1.00 0.00 H new ATOM 0 HB2 SER A 81 19.499 14.612 -0.124 1.00 0.00 H new ATOM 0 HB3 SER A 81 19.807 16.166 0.626 1.00 0.00 H new ATOM 0 HG SER A 81 18.268 16.314 -1.103 1.00 0.00 H new ATOM 1288 N GLY A 82 22.010 14.661 1.566 1.00 0.00 N ATOM 1289 CA GLY A 82 22.749 14.669 2.815 1.00 0.00 C ATOM 1290 C GLY A 82 21.873 14.342 4.009 1.00 0.00 C ATOM 1291 O GLY A 82 20.664 14.147 3.883 1.00 0.00 O ATOM 0 H GLY A 82 21.322 13.913 1.480 1.00 0.00 H new ATOM 0 HA2 GLY A 82 23.563 13.946 2.757 1.00 0.00 H new ATOM 0 HA3 GLY A 82 23.203 15.650 2.959 1.00 0.00 H new ATOM 1295 N PRO A 83 22.488 14.276 5.199 1.00 0.00 N ATOM 1296 CA PRO A 83 21.776 13.969 6.442 1.00 0.00 C ATOM 1297 C PRO A 83 20.849 15.100 6.874 1.00 0.00 C ATOM 1298 O PRO A 83 19.994 14.918 7.741 1.00 0.00 O ATOM 1299 CB PRO A 83 22.903 13.784 7.461 1.00 0.00 C ATOM 1300 CG PRO A 83 24.038 14.583 6.919 1.00 0.00 C ATOM 1301 CD PRO A 83 23.927 14.498 5.422 1.00 0.00 C ATOM 0 HA PRO A 83 21.131 13.097 6.336 1.00 0.00 H new ATOM 0 HB2 PRO A 83 22.606 14.137 8.448 1.00 0.00 H new ATOM 0 HB3 PRO A 83 23.173 12.733 7.566 1.00 0.00 H new ATOM 0 HG2 PRO A 83 23.983 15.618 7.256 1.00 0.00 H new ATOM 0 HG3 PRO A 83 24.993 14.187 7.263 1.00 0.00 H new ATOM 0 HD2 PRO A 83 24.272 15.413 4.941 1.00 0.00 H new ATOM 0 HD3 PRO A 83 24.527 13.681 5.020 1.00 0.00 H new ATOM 1309 N SER A 84 21.023 16.268 6.264 1.00 0.00 N ATOM 1310 CA SER A 84 20.204 17.430 6.588 1.00 0.00 C ATOM 1311 C SER A 84 18.720 17.107 6.439 1.00 0.00 C ATOM 1312 O SER A 84 18.222 16.925 5.329 1.00 0.00 O ATOM 1313 CB SER A 84 20.574 18.609 5.685 1.00 0.00 C ATOM 1314 OG SER A 84 20.190 18.364 4.343 1.00 0.00 O ATOM 0 H SER A 84 21.724 16.435 5.542 1.00 0.00 H new ATOM 0 HA SER A 84 20.397 17.702 7.626 1.00 0.00 H new ATOM 0 HB2 SER A 84 20.087 19.515 6.046 1.00 0.00 H new ATOM 0 HB3 SER A 84 21.649 18.784 5.733 1.00 0.00 H new ATOM 0 HG SER A 84 19.312 17.928 4.328 1.00 0.00 H new ATOM 1320 N SER A 85 18.021 17.038 7.567 1.00 0.00 N ATOM 1321 CA SER A 85 16.595 16.733 7.564 1.00 0.00 C ATOM 1322 C SER A 85 16.309 15.475 6.750 1.00 0.00 C ATOM 1323 O SER A 85 15.351 15.424 5.981 1.00 0.00 O ATOM 1324 CB SER A 85 15.801 17.912 6.997 1.00 0.00 C ATOM 1325 OG SER A 85 14.450 17.869 7.422 1.00 0.00 O ATOM 0 H SER A 85 18.418 17.189 8.494 1.00 0.00 H new ATOM 0 HA SER A 85 16.285 16.556 8.594 1.00 0.00 H new ATOM 0 HB2 SER A 85 16.257 18.849 7.318 1.00 0.00 H new ATOM 0 HB3 SER A 85 15.844 17.893 5.908 1.00 0.00 H new ATOM 0 HG SER A 85 14.054 17.010 7.167 1.00 0.00 H new ATOM 1331 N GLY A 86 17.151 14.460 6.926 1.00 0.00 N ATOM 1332 CA GLY A 86 16.973 13.215 6.202 1.00 0.00 C ATOM 1333 C GLY A 86 16.169 12.198 6.987 1.00 0.00 C ATOM 1334 O GLY A 86 14.997 11.993 6.677 1.00 0.00 O ATOM 0 H GLY A 86 17.952 14.478 7.557 1.00 0.00 H new ATOM 0 HA2 GLY A 86 16.472 13.417 5.255 1.00 0.00 H new ATOM 0 HA3 GLY A 86 17.950 12.795 5.962 1.00 0.00 H new TER 1338 GLY A 86 HETATM 1339 ZN ZN A 201 -1.705 19.871 -1.794 1.00 0.00 ZN HETATM 1340 ZN ZN A 401 7.338 6.806 -1.721 1.00 0.00 ZN