USER MOD reduce.3.24.130724 H: found=0, std=0, add=735, rem=0, adj=16 USER MOD reduce.3.24.130724 removed 732 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 Single : A 1 GLY N :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 2 SER OG : rot 180:sc= 0.0183 USER MOD Single : A 3 SER OG : rot 180:sc= 0 USER MOD Single : A 5 SER OG : rot 180:sc= 0.0347 USER MOD Single : A 6 SER OG : rot 180:sc= 0 USER MOD Single : A 8 ASN : amide:sc= 0.166 K(o=0.17,f=-1.9!) USER MOD Single : A 10 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Single : A 13 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 14 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 15 LYS NZ :NH3+ 160:sc= -0.161 (180deg=-1.03) USER MOD Single : A 16 GLN : amide:sc= -0.092 K(o=-0.092,f=-2!) USER MOD Single : A 19 CYS SG : rot 180:sc= -0.113 USER MOD Single : A 20 GLN : amide:sc= -0.181 X(o=-0.18,f=-0.026) USER MOD Single : A 24 CYS SG : rot -25:sc= 0.0437 USER MOD Single : A 26 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Single : A 27 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 40 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 45 HIS : no HD1:sc= 0 X(o=0,f=-0.34) USER MOD Single : A 46 TYR OH : rot 130:sc= -0.155 USER MOD Single : A 47 SER OG : rot 180:sc= 0 USER MOD Single : A 50 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 55 THR OG1 : rot 50:sc= 1.11 USER MOD Single : A 57 GLN : amide:sc= 0 X(o=0,f=-0.02) USER MOD Single : A 65 THR OG1 : rot 180:sc= 0 USER MOD Single : A 67 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 70 ASN : amide:sc= -0.352 X(o=-0.35,f=-0.027) USER MOD Single : A 72 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 76 THR OG1 : rot 180:sc= 0 USER MOD Single : A 83 GLN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 85 THR OG1 : rot 180:sc= -0.118 USER MOD Single : A 92 SER OG : rot 180:sc= 0 USER MOD Single : A 95 SER OG : rot 40:sc= 0.147 USER MOD Single : A 96 SER OG : rot -49:sc= 1.21 USER MOD ----------------------------------------------------------------- ATOM 1 N GLY A 1 26.051 -2.969 46.829 1.00 0.00 N ATOM 2 CA GLY A 1 24.884 -3.829 46.886 1.00 0.00 C ATOM 3 C GLY A 1 23.868 -3.499 45.810 1.00 0.00 C ATOM 4 O GLY A 1 23.823 -4.153 44.768 1.00 0.00 O ATOM 0 H1 GLY A 1 26.715 -3.234 47.584 1.00 0.00 H new ATOM 0 H2 GLY A 1 26.516 -3.076 45.905 1.00 0.00 H new ATOM 0 H3 GLY A 1 25.759 -1.979 46.957 1.00 0.00 H new ATOM 0 HA2 GLY A 1 25.196 -4.868 46.780 1.00 0.00 H new ATOM 0 HA3 GLY A 1 24.415 -3.735 47.865 1.00 0.00 H new ATOM 8 N SER A 2 23.050 -2.483 46.062 1.00 0.00 N ATOM 9 CA SER A 2 22.026 -2.071 45.109 1.00 0.00 C ATOM 10 C SER A 2 22.648 -1.722 43.760 1.00 0.00 C ATOM 11 O SER A 2 23.822 -1.360 43.681 1.00 0.00 O ATOM 12 CB SER A 2 21.249 -0.869 45.651 1.00 0.00 C ATOM 13 OG SER A 2 20.979 -1.018 47.034 1.00 0.00 O ATOM 0 H SER A 2 23.076 -1.929 46.918 1.00 0.00 H new ATOM 0 HA SER A 2 21.339 -2.906 44.968 1.00 0.00 H new ATOM 0 HB2 SER A 2 21.822 0.043 45.485 1.00 0.00 H new ATOM 0 HB3 SER A 2 20.312 -0.761 45.104 1.00 0.00 H new ATOM 0 HG SER A 2 20.483 -0.237 47.357 1.00 0.00 H new ATOM 19 N SER A 3 21.852 -1.834 42.702 1.00 0.00 N ATOM 20 CA SER A 3 22.325 -1.535 41.355 1.00 0.00 C ATOM 21 C SER A 3 21.967 -0.106 40.958 1.00 0.00 C ATOM 22 O SER A 3 20.832 0.334 41.138 1.00 0.00 O ATOM 23 CB SER A 3 21.724 -2.521 40.350 1.00 0.00 C ATOM 24 OG SER A 3 22.740 -3.228 39.660 1.00 0.00 O ATOM 0 H SER A 3 20.877 -2.129 42.751 1.00 0.00 H new ATOM 0 HA SER A 3 23.410 -1.635 41.347 1.00 0.00 H new ATOM 0 HB2 SER A 3 21.075 -3.226 40.870 1.00 0.00 H new ATOM 0 HB3 SER A 3 21.101 -1.983 39.635 1.00 0.00 H new ATOM 0 HG SER A 3 22.331 -3.853 39.025 1.00 0.00 H new ATOM 30 N GLY A 4 22.945 0.614 40.418 1.00 0.00 N ATOM 31 CA GLY A 4 22.714 1.986 40.004 1.00 0.00 C ATOM 32 C GLY A 4 21.986 2.077 38.678 1.00 0.00 C ATOM 33 O GLY A 4 22.494 1.627 37.651 1.00 0.00 O ATOM 0 H GLY A 4 23.893 0.272 40.260 1.00 0.00 H new ATOM 0 HA2 GLY A 4 22.133 2.500 40.770 1.00 0.00 H new ATOM 0 HA3 GLY A 4 23.670 2.505 39.927 1.00 0.00 H new ATOM 37 N SER A 5 20.791 2.659 38.699 1.00 0.00 N ATOM 38 CA SER A 5 19.989 2.803 37.490 1.00 0.00 C ATOM 39 C SER A 5 20.492 3.964 36.639 1.00 0.00 C ATOM 40 O SER A 5 21.414 4.680 37.029 1.00 0.00 O ATOM 41 CB SER A 5 18.518 3.021 37.852 1.00 0.00 C ATOM 42 OG SER A 5 18.388 3.922 38.937 1.00 0.00 O ATOM 0 H SER A 5 20.357 3.038 39.540 1.00 0.00 H new ATOM 0 HA SER A 5 20.082 1.884 36.911 1.00 0.00 H new ATOM 0 HB2 SER A 5 17.981 3.409 36.987 1.00 0.00 H new ATOM 0 HB3 SER A 5 18.059 2.067 38.110 1.00 0.00 H new ATOM 0 HG SER A 5 17.439 4.046 39.148 1.00 0.00 H new ATOM 48 N SER A 6 19.880 4.144 35.473 1.00 0.00 N ATOM 49 CA SER A 6 20.268 5.216 34.563 1.00 0.00 C ATOM 50 C SER A 6 19.046 5.801 33.860 1.00 0.00 C ATOM 51 O SER A 6 18.647 6.933 34.125 1.00 0.00 O ATOM 52 CB SER A 6 21.267 4.697 33.527 1.00 0.00 C ATOM 53 OG SER A 6 22.596 5.027 33.891 1.00 0.00 O ATOM 0 H SER A 6 19.113 3.562 35.136 1.00 0.00 H new ATOM 0 HA SER A 6 20.740 6.004 35.149 1.00 0.00 H new ATOM 0 HB2 SER A 6 21.170 3.615 33.434 1.00 0.00 H new ATOM 0 HB3 SER A 6 21.037 5.123 32.550 1.00 0.00 H new ATOM 0 HG SER A 6 23.216 4.683 33.214 1.00 0.00 H new ATOM 59 N GLY A 7 18.457 5.017 32.961 1.00 0.00 N ATOM 60 CA GLY A 7 17.287 5.473 32.233 1.00 0.00 C ATOM 61 C GLY A 7 17.647 6.159 30.930 1.00 0.00 C ATOM 62 O GLY A 7 17.023 5.912 29.899 1.00 0.00 O ATOM 0 H GLY A 7 18.769 4.075 32.724 1.00 0.00 H new ATOM 0 HA2 GLY A 7 16.638 4.623 32.025 1.00 0.00 H new ATOM 0 HA3 GLY A 7 16.719 6.162 32.858 1.00 0.00 H new ATOM 66 N ASN A 8 18.654 7.025 30.977 1.00 0.00 N ATOM 67 CA ASN A 8 19.093 7.751 29.791 1.00 0.00 C ATOM 68 C ASN A 8 20.215 7.001 29.078 1.00 0.00 C ATOM 69 O ASN A 8 21.211 6.622 29.695 1.00 0.00 O ATOM 70 CB ASN A 8 19.567 9.155 30.173 1.00 0.00 C ATOM 71 CG ASN A 8 20.688 9.129 31.194 1.00 0.00 C ATOM 72 OD1 ASN A 8 20.472 8.803 32.361 1.00 0.00 O ATOM 73 ND2 ASN A 8 21.893 9.476 30.757 1.00 0.00 N ATOM 0 H ASN A 8 19.181 7.241 31.823 1.00 0.00 H new ATOM 0 HA ASN A 8 18.245 7.833 29.111 1.00 0.00 H new ATOM 0 HB2 ASN A 8 19.906 9.677 29.278 1.00 0.00 H new ATOM 0 HB3 ASN A 8 18.727 9.722 30.574 1.00 0.00 H new ATOM 0 HD21 ASN A 8 22.686 9.479 31.398 1.00 0.00 H new ATOM 0 HD22 ASN A 8 22.025 9.739 29.780 1.00 0.00 H new ATOM 80 N ILE A 9 20.045 6.790 27.778 1.00 0.00 N ATOM 81 CA ILE A 9 21.043 6.087 26.981 1.00 0.00 C ATOM 82 C ILE A 9 21.908 7.066 26.195 1.00 0.00 C ATOM 83 O ILE A 9 23.044 6.757 25.836 1.00 0.00 O ATOM 84 CB ILE A 9 20.386 5.098 26.001 1.00 0.00 C ATOM 85 CG1 ILE A 9 21.455 4.276 25.278 1.00 0.00 C ATOM 86 CG2 ILE A 9 19.516 5.844 24.999 1.00 0.00 C ATOM 87 CD1 ILE A 9 21.874 4.864 23.949 1.00 0.00 C ATOM 0 H ILE A 9 19.225 7.096 27.253 1.00 0.00 H new ATOM 0 HA ILE A 9 21.670 5.532 27.679 1.00 0.00 H new ATOM 0 HB ILE A 9 19.751 4.416 26.567 1.00 0.00 H new ATOM 0 HG12 ILE A 9 22.331 4.190 25.920 1.00 0.00 H new ATOM 0 HG13 ILE A 9 21.078 3.266 25.116 1.00 0.00 H new ATOM 0 HG21 ILE A 9 19.058 5.131 24.313 1.00 0.00 H new ATOM 0 HG22 ILE A 9 18.736 6.389 25.530 1.00 0.00 H new ATOM 0 HG23 ILE A 9 20.130 6.546 24.436 1.00 0.00 H new ATOM 0 HD11 ILE A 9 22.634 4.229 23.494 1.00 0.00 H new ATOM 0 HD12 ILE A 9 21.009 4.925 23.289 1.00 0.00 H new ATOM 0 HD13 ILE A 9 22.282 5.863 24.105 1.00 0.00 H new ATOM 99 N MET A 10 21.363 8.249 25.931 1.00 0.00 N ATOM 100 CA MET A 10 22.086 9.276 25.190 1.00 0.00 C ATOM 101 C MET A 10 22.069 10.603 25.941 1.00 0.00 C ATOM 102 O MET A 10 21.182 10.854 26.758 1.00 0.00 O ATOM 103 CB MET A 10 21.476 9.455 23.798 1.00 0.00 C ATOM 104 CG MET A 10 22.490 9.345 22.671 1.00 0.00 C ATOM 105 SD MET A 10 21.717 9.065 21.066 1.00 0.00 S ATOM 106 CE MET A 10 22.277 10.508 20.164 1.00 0.00 C ATOM 0 H MET A 10 20.423 8.520 26.219 1.00 0.00 H new ATOM 0 HA MET A 10 23.122 8.952 25.086 1.00 0.00 H new ATOM 0 HB2 MET A 10 20.699 8.704 23.651 1.00 0.00 H new ATOM 0 HB3 MET A 10 20.991 10.430 23.745 1.00 0.00 H new ATOM 0 HG2 MET A 10 23.082 10.259 22.630 1.00 0.00 H new ATOM 0 HG3 MET A 10 23.179 8.528 22.886 1.00 0.00 H new ATOM 0 HE1 MET A 10 21.880 10.479 19.149 1.00 0.00 H new ATOM 0 HE2 MET A 10 21.926 11.410 20.666 1.00 0.00 H new ATOM 0 HE3 MET A 10 23.366 10.514 20.128 1.00 0.00 H new ATOM 116 N LEU A 11 23.054 11.449 25.660 1.00 0.00 N ATOM 117 CA LEU A 11 23.152 12.752 26.309 1.00 0.00 C ATOM 118 C LEU A 11 23.624 13.817 25.325 1.00 0.00 C ATOM 119 O LEU A 11 24.767 13.791 24.867 1.00 0.00 O ATOM 120 CB LEU A 11 24.110 12.680 27.499 1.00 0.00 C ATOM 121 CG LEU A 11 23.615 11.894 28.713 1.00 0.00 C ATOM 122 CD1 LEU A 11 24.759 11.122 29.353 1.00 0.00 C ATOM 123 CD2 LEU A 11 22.968 12.828 29.725 1.00 0.00 C ATOM 0 H LEU A 11 23.796 11.256 24.987 1.00 0.00 H new ATOM 0 HA LEU A 11 22.160 13.028 26.665 1.00 0.00 H new ATOM 0 HB2 LEU A 11 25.046 12.235 27.160 1.00 0.00 H new ATOM 0 HB3 LEU A 11 24.338 13.697 27.818 1.00 0.00 H new ATOM 0 HG LEU A 11 22.865 11.178 28.377 1.00 0.00 H new ATOM 0 HD11 LEU A 11 24.387 10.569 30.215 1.00 0.00 H new ATOM 0 HD12 LEU A 11 25.178 10.425 28.628 1.00 0.00 H new ATOM 0 HD13 LEU A 11 25.533 11.819 29.675 1.00 0.00 H new ATOM 0 HD21 LEU A 11 22.621 12.251 30.583 1.00 0.00 H new ATOM 0 HD22 LEU A 11 23.697 13.568 30.056 1.00 0.00 H new ATOM 0 HD23 LEU A 11 22.121 13.335 29.263 1.00 0.00 H new ATOM 135 N LEU A 12 22.738 14.754 25.005 1.00 0.00 N ATOM 136 CA LEU A 12 23.065 15.831 24.077 1.00 0.00 C ATOM 137 C LEU A 12 24.347 16.542 24.497 1.00 0.00 C ATOM 138 O LEU A 12 24.572 16.792 25.682 1.00 0.00 O ATOM 139 CB LEU A 12 21.912 16.834 24.002 1.00 0.00 C ATOM 140 CG LEU A 12 21.043 16.765 22.746 1.00 0.00 C ATOM 141 CD1 LEU A 12 19.576 16.616 23.120 1.00 0.00 C ATOM 142 CD2 LEU A 12 21.252 18.001 21.884 1.00 0.00 C ATOM 0 H LEU A 12 21.788 14.790 25.374 1.00 0.00 H new ATOM 0 HA LEU A 12 23.222 15.393 23.091 1.00 0.00 H new ATOM 0 HB2 LEU A 12 21.271 16.686 24.871 1.00 0.00 H new ATOM 0 HB3 LEU A 12 22.326 17.839 24.078 1.00 0.00 H new ATOM 0 HG LEU A 12 21.341 15.890 22.169 1.00 0.00 H new ATOM 0 HD11 LEU A 12 18.972 16.569 22.214 1.00 0.00 H new ATOM 0 HD12 LEU A 12 19.438 15.701 23.696 1.00 0.00 H new ATOM 0 HD13 LEU A 12 19.264 17.472 23.719 1.00 0.00 H new ATOM 0 HD21 LEU A 12 20.626 17.934 20.995 1.00 0.00 H new ATOM 0 HD22 LEU A 12 20.982 18.891 22.452 1.00 0.00 H new ATOM 0 HD23 LEU A 12 22.299 18.064 21.587 1.00 0.00 H new ATOM 154 N LYS A 13 25.184 16.869 23.519 1.00 0.00 N ATOM 155 CA LYS A 13 26.443 17.555 23.785 1.00 0.00 C ATOM 156 C LYS A 13 26.483 18.909 23.084 1.00 0.00 C ATOM 157 O LYS A 13 25.536 19.293 22.398 1.00 0.00 O ATOM 158 CB LYS A 13 27.623 16.696 23.327 1.00 0.00 C ATOM 159 CG LYS A 13 28.425 16.103 24.473 1.00 0.00 C ATOM 160 CD LYS A 13 28.567 14.596 24.332 1.00 0.00 C ATOM 161 CE LYS A 13 29.958 14.128 24.730 1.00 0.00 C ATOM 162 NZ LYS A 13 30.029 13.762 26.172 1.00 0.00 N ATOM 0 H LYS A 13 25.013 16.670 22.533 1.00 0.00 H new ATOM 0 HA LYS A 13 26.518 17.720 24.860 1.00 0.00 H new ATOM 0 HB2 LYS A 13 27.250 15.887 22.699 1.00 0.00 H new ATOM 0 HB3 LYS A 13 28.284 17.302 22.708 1.00 0.00 H new ATOM 0 HG2 LYS A 13 29.413 16.562 24.502 1.00 0.00 H new ATOM 0 HG3 LYS A 13 27.937 16.337 25.419 1.00 0.00 H new ATOM 0 HD2 LYS A 13 27.823 14.099 24.955 1.00 0.00 H new ATOM 0 HD3 LYS A 13 28.365 14.305 23.301 1.00 0.00 H new ATOM 0 HE2 LYS A 13 30.239 13.268 24.123 1.00 0.00 H new ATOM 0 HE3 LYS A 13 30.680 14.917 24.520 1.00 0.00 H new ATOM 0 HZ1 LYS A 13 30.993 13.448 26.403 1.00 0.00 H new ATOM 0 HZ2 LYS A 13 29.785 14.590 26.753 1.00 0.00 H new ATOM 0 HZ3 LYS A 13 29.358 12.992 26.368 1.00 0.00 H new ATOM 176 N LYS A 14 27.587 19.629 23.260 1.00 0.00 N ATOM 177 CA LYS A 14 27.753 20.939 22.642 1.00 0.00 C ATOM 178 C LYS A 14 26.627 21.882 23.055 1.00 0.00 C ATOM 179 O LYS A 14 25.780 21.531 23.877 1.00 0.00 O ATOM 180 CB LYS A 14 27.787 20.806 21.118 1.00 0.00 C ATOM 181 CG LYS A 14 28.984 21.486 20.475 1.00 0.00 C ATOM 182 CD LYS A 14 30.206 20.584 20.479 1.00 0.00 C ATOM 183 CE LYS A 14 31.328 21.162 19.630 1.00 0.00 C ATOM 184 NZ LYS A 14 31.283 20.653 18.231 1.00 0.00 N ATOM 0 H LYS A 14 28.380 19.327 23.826 1.00 0.00 H new ATOM 0 HA LYS A 14 28.699 21.358 22.986 1.00 0.00 H new ATOM 0 HB2 LYS A 14 27.795 19.748 20.854 1.00 0.00 H new ATOM 0 HB3 LYS A 14 26.873 21.231 20.704 1.00 0.00 H new ATOM 0 HG2 LYS A 14 28.739 21.763 19.450 1.00 0.00 H new ATOM 0 HG3 LYS A 14 29.210 22.409 21.009 1.00 0.00 H new ATOM 0 HD2 LYS A 14 30.556 20.448 21.502 1.00 0.00 H new ATOM 0 HD3 LYS A 14 29.933 19.598 20.102 1.00 0.00 H new ATOM 0 HE2 LYS A 14 31.255 22.250 19.623 1.00 0.00 H new ATOM 0 HE3 LYS A 14 32.289 20.910 20.078 1.00 0.00 H new ATOM 0 HZ1 LYS A 14 32.063 21.070 17.685 1.00 0.00 H new ATOM 0 HZ2 LYS A 14 31.378 19.617 18.235 1.00 0.00 H new ATOM 0 HZ3 LYS A 14 30.376 20.916 17.795 1.00 0.00 H new ATOM 198 N LYS A 15 26.624 23.080 22.480 1.00 0.00 N ATOM 199 CA LYS A 15 25.602 24.073 22.786 1.00 0.00 C ATOM 200 C LYS A 15 25.720 25.279 21.859 1.00 0.00 C ATOM 201 O LYS A 15 26.509 25.271 20.915 1.00 0.00 O ATOM 202 CB LYS A 15 25.719 24.524 24.244 1.00 0.00 C ATOM 203 CG LYS A 15 24.378 24.708 24.933 1.00 0.00 C ATOM 204 CD LYS A 15 24.033 23.516 25.809 1.00 0.00 C ATOM 205 CE LYS A 15 22.706 22.892 25.404 1.00 0.00 C ATOM 206 NZ LYS A 15 22.700 22.481 23.973 1.00 0.00 N ATOM 0 H LYS A 15 27.319 23.386 21.799 1.00 0.00 H new ATOM 0 HA LYS A 15 24.626 23.612 22.632 1.00 0.00 H new ATOM 0 HB2 LYS A 15 26.304 23.789 24.797 1.00 0.00 H new ATOM 0 HB3 LYS A 15 26.269 25.464 24.282 1.00 0.00 H new ATOM 0 HG2 LYS A 15 24.401 25.613 25.541 1.00 0.00 H new ATOM 0 HG3 LYS A 15 23.599 24.847 24.184 1.00 0.00 H new ATOM 0 HD2 LYS A 15 24.824 22.770 25.738 1.00 0.00 H new ATOM 0 HD3 LYS A 15 23.985 23.831 26.851 1.00 0.00 H new ATOM 0 HE2 LYS A 15 22.506 22.024 26.032 1.00 0.00 H new ATOM 0 HE3 LYS A 15 21.901 23.605 25.580 1.00 0.00 H new ATOM 0 HZ1 LYS A 15 21.950 21.778 23.817 1.00 0.00 H new ATOM 0 HZ2 LYS A 15 22.525 23.313 23.374 1.00 0.00 H new ATOM 0 HZ3 LYS A 15 23.621 22.065 23.727 1.00 0.00 H new ATOM 220 N GLN A 16 24.932 26.312 22.137 1.00 0.00 N ATOM 221 CA GLN A 16 24.950 27.525 21.327 1.00 0.00 C ATOM 222 C GLN A 16 25.659 28.659 22.061 1.00 0.00 C ATOM 223 O GLN A 16 25.018 29.509 22.678 1.00 0.00 O ATOM 224 CB GLN A 16 23.523 27.947 20.971 1.00 0.00 C ATOM 225 CG GLN A 16 23.459 29.113 19.998 1.00 0.00 C ATOM 226 CD GLN A 16 22.146 29.173 19.244 1.00 0.00 C ATOM 227 OE1 GLN A 16 21.401 28.193 19.192 1.00 0.00 O ATOM 228 NE2 GLN A 16 21.853 30.326 18.653 1.00 0.00 N ATOM 0 H GLN A 16 24.274 26.334 22.916 1.00 0.00 H new ATOM 0 HA GLN A 16 25.498 27.311 20.410 1.00 0.00 H new ATOM 0 HB2 GLN A 16 22.998 27.095 20.539 1.00 0.00 H new ATOM 0 HB3 GLN A 16 22.994 28.218 21.885 1.00 0.00 H new ATOM 0 HG2 GLN A 16 23.603 30.045 20.544 1.00 0.00 H new ATOM 0 HG3 GLN A 16 24.279 29.032 19.285 1.00 0.00 H new ATOM 0 HE21 GLN A 16 22.499 31.113 18.721 1.00 0.00 H new ATOM 0 HE22 GLN A 16 20.982 30.425 18.131 1.00 0.00 H new ATOM 237 N ALA A 17 26.986 28.664 21.989 1.00 0.00 N ATOM 238 CA ALA A 17 27.783 29.694 22.645 1.00 0.00 C ATOM 239 C ALA A 17 27.612 29.638 24.160 1.00 0.00 C ATOM 240 O ALA A 17 26.641 29.074 24.664 1.00 0.00 O ATOM 241 CB ALA A 17 27.402 31.070 22.120 1.00 0.00 C ATOM 0 H ALA A 17 27.532 27.967 21.483 1.00 0.00 H new ATOM 0 HA ALA A 17 28.832 29.508 22.416 1.00 0.00 H new ATOM 0 HB1 ALA A 17 28.005 31.829 22.618 1.00 0.00 H new ATOM 0 HB2 ALA A 17 27.581 31.112 21.046 1.00 0.00 H new ATOM 0 HB3 ALA A 17 26.347 31.256 22.319 1.00 0.00 H new ATOM 247 N ARG A 18 28.563 30.225 24.879 1.00 0.00 N ATOM 248 CA ARG A 18 28.519 30.240 26.336 1.00 0.00 C ATOM 249 C ARG A 18 28.901 31.615 26.878 1.00 0.00 C ATOM 250 O ARG A 18 29.222 32.526 26.114 1.00 0.00 O ATOM 251 CB ARG A 18 29.458 29.176 26.908 1.00 0.00 C ATOM 252 CG ARG A 18 29.135 27.766 26.442 1.00 0.00 C ATOM 253 CD ARG A 18 27.941 27.192 27.189 1.00 0.00 C ATOM 254 NE ARG A 18 28.295 25.997 27.950 1.00 0.00 N ATOM 255 CZ ARG A 18 28.494 24.805 27.397 1.00 0.00 C ATOM 256 NH1 ARG A 18 28.375 24.651 26.086 1.00 0.00 N ATOM 257 NH2 ARG A 18 28.813 23.765 28.156 1.00 0.00 N ATOM 0 H ARG A 18 29.373 30.696 24.476 1.00 0.00 H new ATOM 0 HA ARG A 18 27.498 30.017 26.645 1.00 0.00 H new ATOM 0 HB2 ARG A 18 30.483 29.418 26.625 1.00 0.00 H new ATOM 0 HB3 ARG A 18 29.412 29.210 27.996 1.00 0.00 H new ATOM 0 HG2 ARG A 18 28.927 27.774 25.372 1.00 0.00 H new ATOM 0 HG3 ARG A 18 30.003 27.124 26.593 1.00 0.00 H new ATOM 0 HD2 ARG A 18 27.539 27.947 27.865 1.00 0.00 H new ATOM 0 HD3 ARG A 18 27.151 26.948 26.478 1.00 0.00 H new ATOM 0 HE ARG A 18 28.395 26.082 28.962 1.00 0.00 H new ATOM 0 HH11 ARG A 18 28.130 25.448 25.499 1.00 0.00 H new ATOM 0 HH12 ARG A 18 28.528 23.735 25.664 1.00 0.00 H new ATOM 0 HH21 ARG A 18 28.906 23.880 29.165 1.00 0.00 H new ATOM 0 HH22 ARG A 18 28.965 22.851 27.730 1.00 0.00 H new ATOM 271 N CYS A 19 28.863 31.756 28.198 1.00 0.00 N ATOM 272 CA CYS A 19 29.204 33.020 28.842 1.00 0.00 C ATOM 273 C CYS A 19 30.054 32.784 30.086 1.00 0.00 C ATOM 274 O CYS A 19 29.724 31.945 30.924 1.00 0.00 O ATOM 275 CB CYS A 19 27.933 33.785 29.215 1.00 0.00 C ATOM 276 SG CYS A 19 26.839 34.125 27.816 1.00 0.00 S ATOM 0 H CYS A 19 28.600 31.011 28.843 1.00 0.00 H new ATOM 0 HA CYS A 19 29.783 33.615 28.136 1.00 0.00 H new ATOM 0 HB2 CYS A 19 27.383 33.212 29.962 1.00 0.00 H new ATOM 0 HB3 CYS A 19 28.214 34.730 29.681 1.00 0.00 H new ATOM 0 HG CYS A 19 25.792 34.773 28.232 1.00 0.00 H new ATOM 282 N GLN A 20 31.149 33.529 30.198 1.00 0.00 N ATOM 283 CA GLN A 20 32.048 33.399 31.338 1.00 0.00 C ATOM 284 C GLN A 20 32.538 34.766 31.804 1.00 0.00 C ATOM 285 O GLN A 20 32.391 35.763 31.098 1.00 0.00 O ATOM 286 CB GLN A 20 33.240 32.512 30.977 1.00 0.00 C ATOM 287 CG GLN A 20 34.202 33.158 29.992 1.00 0.00 C ATOM 288 CD GLN A 20 34.450 32.298 28.769 1.00 0.00 C ATOM 289 OE1 GLN A 20 35.595 32.045 28.395 1.00 0.00 O ATOM 290 NE2 GLN A 20 33.374 31.844 28.137 1.00 0.00 N ATOM 0 H GLN A 20 31.435 34.229 29.513 1.00 0.00 H new ATOM 0 HA GLN A 20 31.494 32.935 32.154 1.00 0.00 H new ATOM 0 HB2 GLN A 20 33.782 32.257 31.888 1.00 0.00 H new ATOM 0 HB3 GLN A 20 32.872 31.578 30.553 1.00 0.00 H new ATOM 0 HG2 GLN A 20 33.802 34.122 29.678 1.00 0.00 H new ATOM 0 HG3 GLN A 20 35.151 33.354 30.492 1.00 0.00 H new ATOM 0 HE21 GLN A 20 32.443 32.078 28.482 1.00 0.00 H new ATOM 0 HE22 GLN A 20 33.478 31.261 27.307 1.00 0.00 H new ATOM 299 N GLY A 21 33.121 34.805 32.998 1.00 0.00 N ATOM 300 CA GLY A 21 33.624 36.055 33.537 1.00 0.00 C ATOM 301 C GLY A 21 34.656 35.843 34.627 1.00 0.00 C ATOM 302 O GLY A 21 35.524 34.977 34.511 1.00 0.00 O ATOM 0 H GLY A 21 33.254 33.994 33.602 1.00 0.00 H new ATOM 0 HA2 GLY A 21 34.066 36.643 32.732 1.00 0.00 H new ATOM 0 HA3 GLY A 21 32.792 36.636 33.936 1.00 0.00 H new ATOM 306 N VAL A 22 34.565 36.637 35.689 1.00 0.00 N ATOM 307 CA VAL A 22 35.499 36.532 36.804 1.00 0.00 C ATOM 308 C VAL A 22 34.794 36.771 38.135 1.00 0.00 C ATOM 309 O VAL A 22 34.067 37.751 38.298 1.00 0.00 O ATOM 310 CB VAL A 22 36.658 37.536 36.662 1.00 0.00 C ATOM 311 CG1 VAL A 22 37.684 37.328 37.765 1.00 0.00 C ATOM 312 CG2 VAL A 22 37.304 37.412 35.290 1.00 0.00 C ATOM 0 H VAL A 22 33.854 37.360 35.801 1.00 0.00 H new ATOM 0 HA VAL A 22 35.902 35.519 36.786 1.00 0.00 H new ATOM 0 HB VAL A 22 36.256 38.545 36.760 1.00 0.00 H new ATOM 0 HG11 VAL A 22 38.495 38.047 37.648 1.00 0.00 H new ATOM 0 HG12 VAL A 22 37.209 37.472 38.735 1.00 0.00 H new ATOM 0 HG13 VAL A 22 38.084 36.316 37.704 1.00 0.00 H new ATOM 0 HG21 VAL A 22 38.121 38.129 35.206 1.00 0.00 H new ATOM 0 HG22 VAL A 22 37.693 36.402 35.161 1.00 0.00 H new ATOM 0 HG23 VAL A 22 36.562 37.617 34.518 1.00 0.00 H new ATOM 322 N VAL A 23 35.016 35.869 39.086 1.00 0.00 N ATOM 323 CA VAL A 23 34.404 35.982 40.405 1.00 0.00 C ATOM 324 C VAL A 23 34.872 37.244 41.122 1.00 0.00 C ATOM 325 O VAL A 23 35.996 37.304 41.623 1.00 0.00 O ATOM 326 CB VAL A 23 34.727 34.757 41.280 1.00 0.00 C ATOM 327 CG1 VAL A 23 33.963 34.823 42.594 1.00 0.00 C ATOM 328 CG2 VAL A 23 34.411 33.470 40.533 1.00 0.00 C ATOM 0 H VAL A 23 35.615 35.052 38.968 1.00 0.00 H new ATOM 0 HA VAL A 23 33.326 36.034 40.251 1.00 0.00 H new ATOM 0 HB VAL A 23 35.793 34.765 41.507 1.00 0.00 H new ATOM 0 HG11 VAL A 23 34.204 33.949 43.199 1.00 0.00 H new ATOM 0 HG12 VAL A 23 34.245 35.727 43.134 1.00 0.00 H new ATOM 0 HG13 VAL A 23 32.892 34.840 42.392 1.00 0.00 H new ATOM 0 HG21 VAL A 23 34.645 32.615 41.167 1.00 0.00 H new ATOM 0 HG22 VAL A 23 33.352 33.450 40.274 1.00 0.00 H new ATOM 0 HG23 VAL A 23 35.008 33.422 39.623 1.00 0.00 H new ATOM 338 N CYS A 24 34.005 38.248 41.166 1.00 0.00 N ATOM 339 CA CYS A 24 34.330 39.510 41.822 1.00 0.00 C ATOM 340 C CYS A 24 33.678 39.591 43.199 1.00 0.00 C ATOM 341 O CYS A 24 34.168 40.285 44.089 1.00 0.00 O ATOM 342 CB CYS A 24 33.875 40.689 40.960 1.00 0.00 C ATOM 343 SG CYS A 24 34.331 42.308 41.624 1.00 0.00 S ATOM 0 H CYS A 24 33.072 38.214 40.756 1.00 0.00 H new ATOM 0 HA CYS A 24 35.412 39.557 41.948 1.00 0.00 H new ATOM 0 HB2 CYS A 24 34.303 40.583 39.963 1.00 0.00 H new ATOM 0 HB3 CYS A 24 32.792 40.646 40.848 1.00 0.00 H new ATOM 0 HG CYS A 24 34.469 42.225 42.914 1.00 0.00 H new ATOM 349 N ALA A 25 32.569 38.877 43.366 1.00 0.00 N ATOM 350 CA ALA A 25 31.851 38.867 44.634 1.00 0.00 C ATOM 351 C ALA A 25 32.084 37.563 45.388 1.00 0.00 C ATOM 352 O ALA A 25 32.129 36.489 44.788 1.00 0.00 O ATOM 353 CB ALA A 25 30.363 39.085 44.399 1.00 0.00 C ATOM 0 H ALA A 25 32.149 38.298 42.639 1.00 0.00 H new ATOM 0 HA ALA A 25 32.235 39.683 45.247 1.00 0.00 H new ATOM 0 HB1 ALA A 25 29.838 39.075 45.354 1.00 0.00 H new ATOM 0 HB2 ALA A 25 30.209 40.047 43.910 1.00 0.00 H new ATOM 0 HB3 ALA A 25 29.975 38.289 43.764 1.00 0.00 H new ATOM 359 N MET A 26 32.233 37.663 46.704 1.00 0.00 N ATOM 360 CA MET A 26 32.461 36.490 47.539 1.00 0.00 C ATOM 361 C MET A 26 31.546 36.504 48.759 1.00 0.00 C ATOM 362 O MET A 26 31.570 37.442 49.556 1.00 0.00 O ATOM 363 CB MET A 26 33.924 36.432 47.985 1.00 0.00 C ATOM 364 CG MET A 26 34.884 36.047 46.872 1.00 0.00 C ATOM 365 SD MET A 26 36.150 34.885 47.417 1.00 0.00 S ATOM 366 CE MET A 26 35.447 33.333 46.864 1.00 0.00 C ATOM 0 H MET A 26 32.200 38.545 47.216 1.00 0.00 H new ATOM 0 HA MET A 26 32.233 35.604 46.947 1.00 0.00 H new ATOM 0 HB2 MET A 26 34.213 37.405 48.382 1.00 0.00 H new ATOM 0 HB3 MET A 26 34.019 35.714 48.800 1.00 0.00 H new ATOM 0 HG2 MET A 26 34.322 35.606 46.049 1.00 0.00 H new ATOM 0 HG3 MET A 26 35.364 36.946 46.485 1.00 0.00 H new ATOM 0 HE1 MET A 26 36.117 32.515 47.129 1.00 0.00 H new ATOM 0 HE2 MET A 26 34.480 33.180 47.343 1.00 0.00 H new ATOM 0 HE3 MET A 26 35.316 33.358 45.782 1.00 0.00 H new ATOM 376 N LYS A 27 30.738 35.458 48.899 1.00 0.00 N ATOM 377 CA LYS A 27 29.815 35.349 50.022 1.00 0.00 C ATOM 378 C LYS A 27 29.648 33.895 50.451 1.00 0.00 C ATOM 379 O LYS A 27 30.177 32.986 49.812 1.00 0.00 O ATOM 380 CB LYS A 27 28.453 35.941 49.650 1.00 0.00 C ATOM 381 CG LYS A 27 27.841 36.797 50.745 1.00 0.00 C ATOM 382 CD LYS A 27 28.124 38.273 50.523 1.00 0.00 C ATOM 383 CE LYS A 27 28.456 38.980 51.828 1.00 0.00 C ATOM 384 NZ LYS A 27 27.280 39.044 52.739 1.00 0.00 N ATOM 0 H LYS A 27 30.704 34.673 48.248 1.00 0.00 H new ATOM 0 HA LYS A 27 30.233 35.910 50.858 1.00 0.00 H new ATOM 0 HB2 LYS A 27 28.562 36.543 48.748 1.00 0.00 H new ATOM 0 HB3 LYS A 27 27.767 35.129 49.409 1.00 0.00 H new ATOM 0 HG2 LYS A 27 26.764 36.633 50.777 1.00 0.00 H new ATOM 0 HG3 LYS A 27 28.239 36.491 51.712 1.00 0.00 H new ATOM 0 HD2 LYS A 27 28.955 38.384 49.826 1.00 0.00 H new ATOM 0 HD3 LYS A 27 27.256 38.746 50.063 1.00 0.00 H new ATOM 0 HE2 LYS A 27 29.273 38.458 52.326 1.00 0.00 H new ATOM 0 HE3 LYS A 27 28.806 39.990 51.615 1.00 0.00 H new ATOM 0 HZ1 LYS A 27 27.547 39.533 53.617 1.00 0.00 H new ATOM 0 HZ2 LYS A 27 26.509 39.564 52.274 1.00 0.00 H new ATOM 0 HZ3 LYS A 27 26.962 38.080 52.963 1.00 0.00 H new ATOM 398 N GLU A 28 28.909 33.683 51.536 1.00 0.00 N ATOM 399 CA GLU A 28 28.674 32.338 52.048 1.00 0.00 C ATOM 400 C GLU A 28 27.280 31.847 51.666 1.00 0.00 C ATOM 401 O GLU A 28 26.633 31.130 52.429 1.00 0.00 O ATOM 402 CB GLU A 28 28.837 32.312 53.569 1.00 0.00 C ATOM 403 CG GLU A 28 30.257 32.587 54.033 1.00 0.00 C ATOM 404 CD GLU A 28 30.307 33.249 55.397 1.00 0.00 C ATOM 405 OE1 GLU A 28 29.821 32.638 56.371 1.00 0.00 O ATOM 406 OE2 GLU A 28 30.833 34.378 55.489 1.00 0.00 O ATOM 0 H GLU A 28 28.463 34.424 52.077 1.00 0.00 H new ATOM 0 HA GLU A 28 29.411 31.672 51.600 1.00 0.00 H new ATOM 0 HB2 GLU A 28 28.170 33.052 54.010 1.00 0.00 H new ATOM 0 HB3 GLU A 28 28.524 31.337 53.943 1.00 0.00 H new ATOM 0 HG2 GLU A 28 30.812 31.649 54.068 1.00 0.00 H new ATOM 0 HG3 GLU A 28 30.756 33.226 53.305 1.00 0.00 H new ATOM 413 N ALA A 29 26.825 32.240 50.481 1.00 0.00 N ATOM 414 CA ALA A 29 25.509 31.839 49.997 1.00 0.00 C ATOM 415 C ALA A 29 25.404 32.012 48.486 1.00 0.00 C ATOM 416 O ALA A 29 25.032 31.083 47.769 1.00 0.00 O ATOM 417 CB ALA A 29 24.422 32.639 50.699 1.00 0.00 C ATOM 0 H ALA A 29 27.348 32.835 49.838 1.00 0.00 H new ATOM 0 HA ALA A 29 25.371 30.782 50.226 1.00 0.00 H new ATOM 0 HB1 ALA A 29 23.445 32.329 50.328 1.00 0.00 H new ATOM 0 HB2 ALA A 29 24.475 32.461 51.773 1.00 0.00 H new ATOM 0 HB3 ALA A 29 24.566 33.701 50.500 1.00 0.00 H new ATOM 423 N PHE A 30 25.733 33.208 48.008 1.00 0.00 N ATOM 424 CA PHE A 30 25.674 33.504 46.581 1.00 0.00 C ATOM 425 C PHE A 30 26.631 34.636 46.220 1.00 0.00 C ATOM 426 O PHE A 30 27.180 35.303 47.096 1.00 0.00 O ATOM 427 CB PHE A 30 24.247 33.878 46.175 1.00 0.00 C ATOM 428 CG PHE A 30 23.601 34.868 47.101 1.00 0.00 C ATOM 429 CD1 PHE A 30 24.083 36.164 47.198 1.00 0.00 C ATOM 430 CD2 PHE A 30 22.510 34.504 47.875 1.00 0.00 C ATOM 431 CE1 PHE A 30 23.491 37.076 48.051 1.00 0.00 C ATOM 432 CE2 PHE A 30 21.913 35.413 48.728 1.00 0.00 C ATOM 433 CZ PHE A 30 22.404 36.701 48.816 1.00 0.00 C ATOM 0 H PHE A 30 26.043 33.988 48.588 1.00 0.00 H new ATOM 0 HA PHE A 30 25.977 32.609 46.037 1.00 0.00 H new ATOM 0 HB2 PHE A 30 24.261 34.291 45.167 1.00 0.00 H new ATOM 0 HB3 PHE A 30 23.639 32.974 46.141 1.00 0.00 H new ATOM 0 HD1 PHE A 30 24.931 36.464 46.600 1.00 0.00 H new ATOM 0 HD2 PHE A 30 22.122 33.498 47.811 1.00 0.00 H new ATOM 0 HE1 PHE A 30 23.878 38.082 48.119 1.00 0.00 H new ATOM 0 HE2 PHE A 30 21.063 35.116 49.325 1.00 0.00 H new ATOM 0 HZ PHE A 30 21.939 37.413 49.481 1.00 0.00 H new ATOM 443 N GLY A 31 26.827 34.846 44.922 1.00 0.00 N ATOM 444 CA GLY A 31 27.718 35.897 44.467 1.00 0.00 C ATOM 445 C GLY A 31 27.412 36.345 43.051 1.00 0.00 C ATOM 446 O GLY A 31 26.373 35.992 42.492 1.00 0.00 O ATOM 0 H GLY A 31 26.385 34.307 44.178 1.00 0.00 H new ATOM 0 HA2 GLY A 31 27.640 36.751 45.140 1.00 0.00 H new ATOM 0 HA3 GLY A 31 28.748 35.543 44.518 1.00 0.00 H new ATOM 450 N PHE A 32 28.317 37.125 42.470 1.00 0.00 N ATOM 451 CA PHE A 32 28.136 37.624 41.112 1.00 0.00 C ATOM 452 C PHE A 32 29.434 37.517 40.316 1.00 0.00 C ATOM 453 O PHE A 32 30.524 37.483 40.888 1.00 0.00 O ATOM 454 CB PHE A 32 27.661 39.078 41.139 1.00 0.00 C ATOM 455 CG PHE A 32 26.396 39.281 41.923 1.00 0.00 C ATOM 456 CD1 PHE A 32 26.429 39.375 43.305 1.00 0.00 C ATOM 457 CD2 PHE A 32 25.173 39.376 41.278 1.00 0.00 C ATOM 458 CE1 PHE A 32 25.267 39.561 44.029 1.00 0.00 C ATOM 459 CE2 PHE A 32 24.008 39.564 41.997 1.00 0.00 C ATOM 460 CZ PHE A 32 24.055 39.655 43.374 1.00 0.00 C ATOM 0 H PHE A 32 29.183 37.425 42.918 1.00 0.00 H new ATOM 0 HA PHE A 32 27.379 37.010 40.624 1.00 0.00 H new ATOM 0 HB2 PHE A 32 28.447 39.701 41.566 1.00 0.00 H new ATOM 0 HB3 PHE A 32 27.504 39.420 40.116 1.00 0.00 H new ATOM 0 HD1 PHE A 32 27.374 39.302 43.822 1.00 0.00 H new ATOM 0 HD2 PHE A 32 25.130 39.302 40.201 1.00 0.00 H new ATOM 0 HE1 PHE A 32 25.307 39.633 45.106 1.00 0.00 H new ATOM 0 HE2 PHE A 32 23.062 39.640 41.482 1.00 0.00 H new ATOM 0 HZ PHE A 32 23.145 39.799 43.938 1.00 0.00 H new ATOM 470 N ILE A 33 29.308 37.462 38.995 1.00 0.00 N ATOM 471 CA ILE A 33 30.470 37.359 38.120 1.00 0.00 C ATOM 472 C ILE A 33 30.533 38.533 37.150 1.00 0.00 C ATOM 473 O ILE A 33 29.510 38.981 36.635 1.00 0.00 O ATOM 474 CB ILE A 33 30.455 36.044 37.318 1.00 0.00 C ATOM 475 CG1 ILE A 33 30.420 34.843 38.266 1.00 0.00 C ATOM 476 CG2 ILE A 33 31.668 35.969 36.403 1.00 0.00 C ATOM 477 CD1 ILE A 33 29.403 33.794 37.874 1.00 0.00 C ATOM 0 H ILE A 33 28.413 37.487 38.506 1.00 0.00 H new ATOM 0 HA ILE A 33 31.351 37.374 38.761 1.00 0.00 H new ATOM 0 HB ILE A 33 29.557 36.021 36.701 1.00 0.00 H new ATOM 0 HG12 ILE A 33 31.409 34.385 38.297 1.00 0.00 H new ATOM 0 HG13 ILE A 33 30.199 35.193 39.275 1.00 0.00 H new ATOM 0 HG21 ILE A 33 31.644 35.034 35.843 1.00 0.00 H new ATOM 0 HG22 ILE A 33 31.652 36.809 35.709 1.00 0.00 H new ATOM 0 HG23 ILE A 33 32.578 36.010 37.001 1.00 0.00 H new ATOM 0 HD11 ILE A 33 29.433 32.972 38.590 1.00 0.00 H new ATOM 0 HD12 ILE A 33 28.407 34.236 37.871 1.00 0.00 H new ATOM 0 HD13 ILE A 33 29.635 33.416 36.878 1.00 0.00 H new ATOM 489 N GLU A 34 31.744 39.025 36.904 1.00 0.00 N ATOM 490 CA GLU A 34 31.940 40.147 35.993 1.00 0.00 C ATOM 491 C GLU A 34 32.494 39.670 34.654 1.00 0.00 C ATOM 492 O GLU A 34 33.504 38.968 34.602 1.00 0.00 O ATOM 493 CB GLU A 34 32.890 41.175 36.613 1.00 0.00 C ATOM 494 CG GLU A 34 32.264 42.547 36.800 1.00 0.00 C ATOM 495 CD GLU A 34 31.930 43.220 35.482 1.00 0.00 C ATOM 496 OE1 GLU A 34 30.832 42.964 34.946 1.00 0.00 O ATOM 497 OE2 GLU A 34 32.768 44.003 34.988 1.00 0.00 O ATOM 0 H GLU A 34 32.602 38.665 37.322 1.00 0.00 H new ATOM 0 HA GLU A 34 30.971 40.615 35.820 1.00 0.00 H new ATOM 0 HB2 GLU A 34 33.231 40.805 37.580 1.00 0.00 H new ATOM 0 HB3 GLU A 34 33.772 41.271 35.980 1.00 0.00 H new ATOM 0 HG2 GLU A 34 31.356 42.450 37.395 1.00 0.00 H new ATOM 0 HG3 GLU A 34 32.948 43.181 37.364 1.00 0.00 H new ATOM 504 N ARG A 35 31.825 40.057 33.573 1.00 0.00 N ATOM 505 CA ARG A 35 32.248 39.668 32.233 1.00 0.00 C ATOM 506 C ARG A 35 33.686 40.103 31.969 1.00 0.00 C ATOM 507 O ARG A 35 34.288 40.814 32.773 1.00 0.00 O ATOM 508 CB ARG A 35 31.318 40.280 31.183 1.00 0.00 C ATOM 509 CG ARG A 35 30.278 39.308 30.650 1.00 0.00 C ATOM 510 CD ARG A 35 30.812 38.513 29.468 1.00 0.00 C ATOM 511 NE ARG A 35 29.914 38.572 28.319 1.00 0.00 N ATOM 512 CZ ARG A 35 28.738 37.954 28.272 1.00 0.00 C ATOM 513 NH1 ARG A 35 28.322 37.236 29.306 1.00 0.00 N ATOM 514 NH2 ARG A 35 27.977 38.055 27.190 1.00 0.00 N ATOM 0 H ARG A 35 30.988 40.639 33.599 1.00 0.00 H new ATOM 0 HA ARG A 35 32.197 38.581 32.165 1.00 0.00 H new ATOM 0 HB2 ARG A 35 30.810 41.141 31.618 1.00 0.00 H new ATOM 0 HB3 ARG A 35 31.917 40.650 30.351 1.00 0.00 H new ATOM 0 HG2 ARG A 35 29.977 38.624 31.444 1.00 0.00 H new ATOM 0 HG3 ARG A 35 29.386 39.857 30.347 1.00 0.00 H new ATOM 0 HD2 ARG A 35 31.791 38.900 29.184 1.00 0.00 H new ATOM 0 HD3 ARG A 35 30.954 37.474 29.764 1.00 0.00 H new ATOM 0 HE ARG A 35 30.205 39.117 27.508 1.00 0.00 H new ATOM 0 HH11 ARG A 35 28.905 37.157 30.140 1.00 0.00 H new ATOM 0 HH12 ARG A 35 27.419 36.763 29.268 1.00 0.00 H new ATOM 0 HH21 ARG A 35 28.294 38.607 26.393 1.00 0.00 H new ATOM 0 HH22 ARG A 35 27.075 37.580 27.155 1.00 0.00 H new ATOM 528 N GLY A 36 34.232 39.671 30.836 1.00 0.00 N ATOM 529 CA GLY A 36 35.595 40.025 30.487 1.00 0.00 C ATOM 530 C GLY A 36 35.662 41.017 29.343 1.00 0.00 C ATOM 531 O GLY A 36 36.352 42.032 29.432 1.00 0.00 O ATOM 0 H GLY A 36 33.754 39.082 30.154 1.00 0.00 H new ATOM 0 HA2 GLY A 36 36.092 40.448 31.360 1.00 0.00 H new ATOM 0 HA3 GLY A 36 36.143 39.123 30.214 1.00 0.00 H new ATOM 535 N ASP A 37 34.943 40.723 28.265 1.00 0.00 N ATOM 536 CA ASP A 37 34.924 41.597 27.097 1.00 0.00 C ATOM 537 C ASP A 37 33.945 42.750 27.298 1.00 0.00 C ATOM 538 O ASP A 37 34.179 43.865 26.831 1.00 0.00 O ATOM 539 CB ASP A 37 34.546 40.803 25.846 1.00 0.00 C ATOM 540 CG ASP A 37 35.757 40.406 25.024 1.00 0.00 C ATOM 541 OD1 ASP A 37 36.662 39.751 25.582 1.00 0.00 O ATOM 542 OD2 ASP A 37 35.800 40.752 23.825 1.00 0.00 O ATOM 0 H ASP A 37 34.366 39.887 28.176 1.00 0.00 H new ATOM 0 HA ASP A 37 35.924 42.011 26.967 1.00 0.00 H new ATOM 0 HB2 ASP A 37 34.000 39.906 26.140 1.00 0.00 H new ATOM 0 HB3 ASP A 37 33.872 41.399 25.231 1.00 0.00 H new ATOM 547 N VAL A 38 32.848 42.473 27.995 1.00 0.00 N ATOM 548 CA VAL A 38 31.833 43.487 28.257 1.00 0.00 C ATOM 549 C VAL A 38 31.701 43.758 29.752 1.00 0.00 C ATOM 550 O VAL A 38 32.414 43.172 30.566 1.00 0.00 O ATOM 551 CB VAL A 38 30.461 43.065 27.700 1.00 0.00 C ATOM 552 CG1 VAL A 38 30.485 43.045 26.179 1.00 0.00 C ATOM 553 CG2 VAL A 38 30.056 41.707 28.253 1.00 0.00 C ATOM 0 H VAL A 38 32.639 41.555 28.388 1.00 0.00 H new ATOM 0 HA VAL A 38 32.157 44.397 27.752 1.00 0.00 H new ATOM 0 HB VAL A 38 29.719 43.797 28.018 1.00 0.00 H new ATOM 0 HG11 VAL A 38 29.507 42.744 25.804 1.00 0.00 H new ATOM 0 HG12 VAL A 38 30.727 44.040 25.806 1.00 0.00 H new ATOM 0 HG13 VAL A 38 31.239 42.336 25.836 1.00 0.00 H new ATOM 0 HG21 VAL A 38 29.084 41.425 27.849 1.00 0.00 H new ATOM 0 HG22 VAL A 38 30.798 40.962 27.967 1.00 0.00 H new ATOM 0 HG23 VAL A 38 29.995 41.760 29.340 1.00 0.00 H new ATOM 563 N VAL A 39 30.783 44.652 30.107 1.00 0.00 N ATOM 564 CA VAL A 39 30.555 45.000 31.504 1.00 0.00 C ATOM 565 C VAL A 39 29.226 44.443 32.000 1.00 0.00 C ATOM 566 O VAL A 39 28.508 45.098 32.756 1.00 0.00 O ATOM 567 CB VAL A 39 30.569 46.527 31.711 1.00 0.00 C ATOM 568 CG1 VAL A 39 31.962 47.086 31.466 1.00 0.00 C ATOM 569 CG2 VAL A 39 29.549 47.196 30.803 1.00 0.00 C ATOM 0 H VAL A 39 30.185 45.148 29.446 1.00 0.00 H new ATOM 0 HA VAL A 39 31.368 44.555 32.078 1.00 0.00 H new ATOM 0 HB VAL A 39 30.296 46.739 32.745 1.00 0.00 H new ATOM 0 HG11 VAL A 39 31.953 48.165 31.617 1.00 0.00 H new ATOM 0 HG12 VAL A 39 32.665 46.629 32.162 1.00 0.00 H new ATOM 0 HG13 VAL A 39 32.268 46.865 30.443 1.00 0.00 H new ATOM 0 HG21 VAL A 39 29.572 48.274 30.962 1.00 0.00 H new ATOM 0 HG22 VAL A 39 29.789 46.977 29.763 1.00 0.00 H new ATOM 0 HG23 VAL A 39 28.553 46.817 31.033 1.00 0.00 H new ATOM 579 N LYS A 40 28.903 43.228 31.570 1.00 0.00 N ATOM 580 CA LYS A 40 27.660 42.579 31.971 1.00 0.00 C ATOM 581 C LYS A 40 27.907 41.579 33.096 1.00 0.00 C ATOM 582 O LYS A 40 28.919 40.879 33.105 1.00 0.00 O ATOM 583 CB LYS A 40 27.022 41.870 30.775 1.00 0.00 C ATOM 584 CG LYS A 40 26.244 42.800 29.860 1.00 0.00 C ATOM 585 CD LYS A 40 27.125 43.362 28.757 1.00 0.00 C ATOM 586 CE LYS A 40 26.397 44.427 27.951 1.00 0.00 C ATOM 587 NZ LYS A 40 26.908 44.511 26.554 1.00 0.00 N ATOM 0 H LYS A 40 29.485 42.672 30.943 1.00 0.00 H new ATOM 0 HA LYS A 40 26.979 43.348 32.335 1.00 0.00 H new ATOM 0 HB2 LYS A 40 27.803 41.376 30.197 1.00 0.00 H new ATOM 0 HB3 LYS A 40 26.354 41.090 31.140 1.00 0.00 H new ATOM 0 HG2 LYS A 40 25.406 42.260 29.418 1.00 0.00 H new ATOM 0 HG3 LYS A 40 25.824 43.619 30.444 1.00 0.00 H new ATOM 0 HD2 LYS A 40 28.028 43.788 29.193 1.00 0.00 H new ATOM 0 HD3 LYS A 40 27.440 42.555 28.095 1.00 0.00 H new ATOM 0 HE2 LYS A 40 25.330 44.204 27.935 1.00 0.00 H new ATOM 0 HE3 LYS A 40 26.513 45.395 28.439 1.00 0.00 H new ATOM 0 HZ1 LYS A 40 26.387 45.248 26.037 1.00 0.00 H new ATOM 0 HZ2 LYS A 40 27.920 44.749 26.568 1.00 0.00 H new ATOM 0 HZ3 LYS A 40 26.774 43.595 26.080 1.00 0.00 H new ATOM 601 N GLU A 41 26.975 41.517 34.042 1.00 0.00 N ATOM 602 CA GLU A 41 27.092 40.602 35.171 1.00 0.00 C ATOM 603 C GLU A 41 25.805 39.805 35.361 1.00 0.00 C ATOM 604 O GLU A 41 24.757 40.160 34.821 1.00 0.00 O ATOM 605 CB GLU A 41 27.421 41.374 36.450 1.00 0.00 C ATOM 606 CG GLU A 41 26.338 42.357 36.863 1.00 0.00 C ATOM 607 CD GLU A 41 26.441 43.680 36.129 1.00 0.00 C ATOM 608 OE1 GLU A 41 27.514 43.956 35.552 1.00 0.00 O ATOM 609 OE2 GLU A 41 25.450 44.439 36.132 1.00 0.00 O ATOM 0 H GLU A 41 26.131 42.090 34.049 1.00 0.00 H new ATOM 0 HA GLU A 41 27.902 39.905 34.958 1.00 0.00 H new ATOM 0 HB2 GLU A 41 27.584 40.664 37.261 1.00 0.00 H new ATOM 0 HB3 GLU A 41 28.356 41.915 36.307 1.00 0.00 H new ATOM 0 HG2 GLU A 41 25.360 41.915 36.673 1.00 0.00 H new ATOM 0 HG3 GLU A 41 26.404 42.535 37.936 1.00 0.00 H new ATOM 616 N ILE A 42 25.892 38.726 36.132 1.00 0.00 N ATOM 617 CA ILE A 42 24.735 37.879 36.395 1.00 0.00 C ATOM 618 C ILE A 42 24.757 37.346 37.823 1.00 0.00 C ATOM 619 O ILE A 42 25.772 37.432 38.514 1.00 0.00 O ATOM 620 CB ILE A 42 24.674 36.692 35.416 1.00 0.00 C ATOM 621 CG1 ILE A 42 25.631 35.584 35.863 1.00 0.00 C ATOM 622 CG2 ILE A 42 25.009 37.150 34.005 1.00 0.00 C ATOM 623 CD1 ILE A 42 27.067 36.041 35.987 1.00 0.00 C ATOM 0 H ILE A 42 26.752 38.418 36.586 1.00 0.00 H new ATOM 0 HA ILE A 42 23.850 38.500 36.256 1.00 0.00 H new ATOM 0 HB ILE A 42 23.660 36.293 35.416 1.00 0.00 H new ATOM 0 HG12 ILE A 42 25.298 35.193 36.825 1.00 0.00 H new ATOM 0 HG13 ILE A 42 25.580 34.761 35.150 1.00 0.00 H new ATOM 0 HG21 ILE A 42 24.961 36.299 33.325 1.00 0.00 H new ATOM 0 HG22 ILE A 42 24.292 37.908 33.689 1.00 0.00 H new ATOM 0 HG23 ILE A 42 26.014 37.572 33.988 1.00 0.00 H new ATOM 0 HD11 ILE A 42 27.689 35.205 36.307 1.00 0.00 H new ATOM 0 HD12 ILE A 42 27.418 36.405 35.021 1.00 0.00 H new ATOM 0 HD13 ILE A 42 27.131 36.843 36.722 1.00 0.00 H new ATOM 635 N PHE A 43 23.630 36.794 38.260 1.00 0.00 N ATOM 636 CA PHE A 43 23.519 36.246 39.606 1.00 0.00 C ATOM 637 C PHE A 43 23.554 34.721 39.577 1.00 0.00 C ATOM 638 O PHE A 43 22.814 34.086 38.826 1.00 0.00 O ATOM 639 CB PHE A 43 22.225 36.724 40.270 1.00 0.00 C ATOM 640 CG PHE A 43 21.953 36.070 41.594 1.00 0.00 C ATOM 641 CD1 PHE A 43 22.743 36.352 42.697 1.00 0.00 C ATOM 642 CD2 PHE A 43 20.907 35.172 41.736 1.00 0.00 C ATOM 643 CE1 PHE A 43 22.495 35.751 43.916 1.00 0.00 C ATOM 644 CE2 PHE A 43 20.654 34.567 42.953 1.00 0.00 C ATOM 645 CZ PHE A 43 21.449 34.858 44.045 1.00 0.00 C ATOM 0 H PHE A 43 22.781 36.714 37.701 1.00 0.00 H new ATOM 0 HA PHE A 43 24.370 36.601 40.187 1.00 0.00 H new ATOM 0 HB2 PHE A 43 22.276 37.804 40.411 1.00 0.00 H new ATOM 0 HB3 PHE A 43 21.388 36.529 39.599 1.00 0.00 H new ATOM 0 HD1 PHE A 43 23.562 37.050 42.603 1.00 0.00 H new ATOM 0 HD2 PHE A 43 20.282 34.942 40.886 1.00 0.00 H new ATOM 0 HE1 PHE A 43 23.119 35.979 44.768 1.00 0.00 H new ATOM 0 HE2 PHE A 43 19.836 33.868 43.050 1.00 0.00 H new ATOM 0 HZ PHE A 43 21.253 34.388 44.998 1.00 0.00 H new ATOM 655 N PHE A 44 24.421 34.139 40.400 1.00 0.00 N ATOM 656 CA PHE A 44 24.556 32.689 40.468 1.00 0.00 C ATOM 657 C PHE A 44 24.581 32.213 41.917 1.00 0.00 C ATOM 658 O PHE A 44 24.907 32.975 42.828 1.00 0.00 O ATOM 659 CB PHE A 44 25.829 32.239 39.749 1.00 0.00 C ATOM 660 CG PHE A 44 27.089 32.569 40.498 1.00 0.00 C ATOM 661 CD1 PHE A 44 27.584 33.863 40.511 1.00 0.00 C ATOM 662 CD2 PHE A 44 27.778 31.585 41.188 1.00 0.00 C ATOM 663 CE1 PHE A 44 28.742 34.170 41.199 1.00 0.00 C ATOM 664 CE2 PHE A 44 28.936 31.886 41.878 1.00 0.00 C ATOM 665 CZ PHE A 44 29.420 33.180 41.883 1.00 0.00 C ATOM 0 H PHE A 44 25.040 34.650 41.029 1.00 0.00 H new ATOM 0 HA PHE A 44 23.692 32.245 39.973 1.00 0.00 H new ATOM 0 HB2 PHE A 44 25.784 31.162 39.587 1.00 0.00 H new ATOM 0 HB3 PHE A 44 25.867 32.708 38.766 1.00 0.00 H new ATOM 0 HD1 PHE A 44 27.058 34.641 39.977 1.00 0.00 H new ATOM 0 HD2 PHE A 44 27.406 30.571 41.186 1.00 0.00 H new ATOM 0 HE1 PHE A 44 29.117 35.183 41.202 1.00 0.00 H new ATOM 0 HE2 PHE A 44 29.463 31.110 42.413 1.00 0.00 H new ATOM 0 HZ PHE A 44 30.326 33.417 42.420 1.00 0.00 H new ATOM 675 N HIS A 45 24.235 30.946 42.124 1.00 0.00 N ATOM 676 CA HIS A 45 24.218 30.366 43.462 1.00 0.00 C ATOM 677 C HIS A 45 25.343 29.349 43.628 1.00 0.00 C ATOM 678 O HIS A 45 25.511 28.454 42.799 1.00 0.00 O ATOM 679 CB HIS A 45 22.869 29.702 43.736 1.00 0.00 C ATOM 680 CG HIS A 45 22.335 29.974 45.109 1.00 0.00 C ATOM 681 ND1 HIS A 45 22.615 29.174 46.197 1.00 0.00 N ATOM 682 CD2 HIS A 45 21.536 30.965 45.568 1.00 0.00 C ATOM 683 CE1 HIS A 45 22.009 29.660 47.265 1.00 0.00 C ATOM 684 NE2 HIS A 45 21.348 30.747 46.911 1.00 0.00 N ATOM 0 H HIS A 45 23.963 30.301 41.382 1.00 0.00 H new ATOM 0 HA HIS A 45 24.371 31.170 44.182 1.00 0.00 H new ATOM 0 HB2 HIS A 45 22.146 30.050 42.998 1.00 0.00 H new ATOM 0 HB3 HIS A 45 22.969 28.625 43.601 1.00 0.00 H new ATOM 0 HD2 HIS A 45 21.123 31.776 44.987 1.00 0.00 H new ATOM 0 HE1 HIS A 45 22.047 29.240 48.259 1.00 0.00 H new ATOM 0 HE2 HIS A 45 20.789 31.330 47.534 1.00 0.00 H new ATOM 692 N TYR A 46 26.110 29.492 44.703 1.00 0.00 N ATOM 693 CA TYR A 46 27.220 28.587 44.975 1.00 0.00 C ATOM 694 C TYR A 46 26.747 27.137 45.004 1.00 0.00 C ATOM 695 O TYR A 46 27.513 26.217 44.718 1.00 0.00 O ATOM 696 CB TYR A 46 27.882 28.945 46.307 1.00 0.00 C ATOM 697 CG TYR A 46 28.685 30.226 46.259 1.00 0.00 C ATOM 698 CD1 TYR A 46 29.675 30.413 45.302 1.00 0.00 C ATOM 699 CD2 TYR A 46 28.454 31.248 47.170 1.00 0.00 C ATOM 700 CE1 TYR A 46 30.411 31.581 45.255 1.00 0.00 C ATOM 701 CE2 TYR A 46 29.184 32.420 47.130 1.00 0.00 C ATOM 702 CZ TYR A 46 30.162 32.581 46.171 1.00 0.00 C ATOM 703 OH TYR A 46 30.893 33.747 46.126 1.00 0.00 O ATOM 0 H TYR A 46 25.983 30.226 45.400 1.00 0.00 H new ATOM 0 HA TYR A 46 27.949 28.696 44.172 1.00 0.00 H new ATOM 0 HB2 TYR A 46 27.112 29.037 47.073 1.00 0.00 H new ATOM 0 HB3 TYR A 46 28.536 28.127 46.610 1.00 0.00 H new ATOM 0 HD1 TYR A 46 29.872 29.632 44.583 1.00 0.00 H new ATOM 0 HD2 TYR A 46 27.690 31.124 47.923 1.00 0.00 H new ATOM 0 HE1 TYR A 46 31.177 31.710 44.505 1.00 0.00 H new ATOM 0 HE2 TYR A 46 28.990 33.206 47.845 1.00 0.00 H new ATOM 0 HH TYR A 46 30.285 34.515 46.141 1.00 0.00 H new ATOM 713 N SER A 47 25.479 26.942 45.350 1.00 0.00 N ATOM 714 CA SER A 47 24.902 25.604 45.419 1.00 0.00 C ATOM 715 C SER A 47 25.039 24.884 44.081 1.00 0.00 C ATOM 716 O SER A 47 25.240 23.671 44.036 1.00 0.00 O ATOM 717 CB SER A 47 23.428 25.681 45.821 1.00 0.00 C ATOM 718 OG SER A 47 22.787 24.430 45.650 1.00 0.00 O ATOM 0 H SER A 47 24.831 27.693 45.587 1.00 0.00 H new ATOM 0 HA SER A 47 25.448 25.038 46.174 1.00 0.00 H new ATOM 0 HB2 SER A 47 23.348 25.995 46.862 1.00 0.00 H new ATOM 0 HB3 SER A 47 22.923 26.437 45.220 1.00 0.00 H new ATOM 0 HG SER A 47 21.847 24.505 45.915 1.00 0.00 H new ATOM 724 N GLU A 48 24.929 25.642 42.994 1.00 0.00 N ATOM 725 CA GLU A 48 25.039 25.075 41.655 1.00 0.00 C ATOM 726 C GLU A 48 26.494 25.048 41.194 1.00 0.00 C ATOM 727 O GLU A 48 26.881 24.217 40.373 1.00 0.00 O ATOM 728 CB GLU A 48 24.194 25.881 40.666 1.00 0.00 C ATOM 729 CG GLU A 48 22.939 25.157 40.208 1.00 0.00 C ATOM 730 CD GLU A 48 22.131 24.602 41.365 1.00 0.00 C ATOM 731 OE1 GLU A 48 21.806 25.379 42.287 1.00 0.00 O ATOM 732 OE2 GLU A 48 21.825 23.392 41.348 1.00 0.00 O ATOM 0 H GLU A 48 24.764 26.648 43.014 1.00 0.00 H new ATOM 0 HA GLU A 48 24.668 24.051 41.689 1.00 0.00 H new ATOM 0 HB2 GLU A 48 23.910 26.826 41.129 1.00 0.00 H new ATOM 0 HB3 GLU A 48 24.802 26.124 39.795 1.00 0.00 H new ATOM 0 HG2 GLU A 48 22.318 25.843 39.632 1.00 0.00 H new ATOM 0 HG3 GLU A 48 23.217 24.342 39.540 1.00 0.00 H new ATOM 739 N PHE A 49 27.295 25.964 41.729 1.00 0.00 N ATOM 740 CA PHE A 49 28.706 26.047 41.372 1.00 0.00 C ATOM 741 C PHE A 49 29.392 24.695 41.547 1.00 0.00 C ATOM 742 O PHE A 49 29.360 24.104 42.627 1.00 0.00 O ATOM 743 CB PHE A 49 29.410 27.102 42.228 1.00 0.00 C ATOM 744 CG PHE A 49 30.901 27.121 42.051 1.00 0.00 C ATOM 745 CD1 PHE A 49 31.477 27.792 40.985 1.00 0.00 C ATOM 746 CD2 PHE A 49 31.727 26.467 42.951 1.00 0.00 C ATOM 747 CE1 PHE A 49 32.850 27.812 40.820 1.00 0.00 C ATOM 748 CE2 PHE A 49 33.099 26.483 42.792 1.00 0.00 C ATOM 749 CZ PHE A 49 33.661 27.155 41.724 1.00 0.00 C ATOM 0 H PHE A 49 26.991 26.659 42.411 1.00 0.00 H new ATOM 0 HA PHE A 49 28.773 26.336 40.323 1.00 0.00 H new ATOM 0 HB2 PHE A 49 29.010 28.085 41.980 1.00 0.00 H new ATOM 0 HB3 PHE A 49 29.179 26.920 43.278 1.00 0.00 H new ATOM 0 HD1 PHE A 49 30.847 28.306 40.274 1.00 0.00 H new ATOM 0 HD2 PHE A 49 31.293 25.938 43.787 1.00 0.00 H new ATOM 0 HE1 PHE A 49 33.287 28.340 39.986 1.00 0.00 H new ATOM 0 HE2 PHE A 49 33.732 25.971 43.502 1.00 0.00 H new ATOM 0 HZ PHE A 49 34.733 27.167 41.596 1.00 0.00 H new ATOM 759 N LYS A 50 30.012 24.209 40.477 1.00 0.00 N ATOM 760 CA LYS A 50 30.707 22.928 40.510 1.00 0.00 C ATOM 761 C LYS A 50 32.218 23.127 40.462 1.00 0.00 C ATOM 762 O LYS A 50 32.833 23.035 39.400 1.00 0.00 O ATOM 763 CB LYS A 50 30.259 22.052 39.338 1.00 0.00 C ATOM 764 CG LYS A 50 28.751 21.953 39.192 1.00 0.00 C ATOM 765 CD LYS A 50 28.121 21.247 40.381 1.00 0.00 C ATOM 766 CE LYS A 50 28.349 19.744 40.322 1.00 0.00 C ATOM 767 NZ LYS A 50 27.072 18.995 40.168 1.00 0.00 N ATOM 0 H LYS A 50 30.047 24.684 39.575 1.00 0.00 H new ATOM 0 HA LYS A 50 30.454 22.430 41.446 1.00 0.00 H new ATOM 0 HB2 LYS A 50 30.679 22.452 38.415 1.00 0.00 H new ATOM 0 HB3 LYS A 50 30.669 21.050 39.467 1.00 0.00 H new ATOM 0 HG2 LYS A 50 28.328 22.953 39.095 1.00 0.00 H new ATOM 0 HG3 LYS A 50 28.508 21.414 38.277 1.00 0.00 H new ATOM 0 HD2 LYS A 50 28.541 21.644 41.305 1.00 0.00 H new ATOM 0 HD3 LYS A 50 27.051 21.453 40.403 1.00 0.00 H new ATOM 0 HE2 LYS A 50 29.010 19.510 39.488 1.00 0.00 H new ATOM 0 HE3 LYS A 50 28.854 19.417 41.231 1.00 0.00 H new ATOM 0 HZ1 LYS A 50 27.270 17.975 40.132 1.00 0.00 H new ATOM 0 HZ2 LYS A 50 26.450 19.199 40.977 1.00 0.00 H new ATOM 0 HZ3 LYS A 50 26.602 19.288 39.288 1.00 0.00 H new ATOM 781 N GLY A 51 32.812 23.399 41.620 1.00 0.00 N ATOM 782 CA GLY A 51 34.247 23.605 41.688 1.00 0.00 C ATOM 783 C GLY A 51 34.773 23.559 43.109 1.00 0.00 C ATOM 784 O GLY A 51 34.316 22.755 43.921 1.00 0.00 O ATOM 0 H GLY A 51 32.325 23.480 42.512 1.00 0.00 H new ATOM 0 HA2 GLY A 51 34.749 22.842 41.093 1.00 0.00 H new ATOM 0 HA3 GLY A 51 34.494 24.569 41.244 1.00 0.00 H new ATOM 788 N ASP A 52 35.737 24.422 43.409 1.00 0.00 N ATOM 789 CA ASP A 52 36.326 24.477 44.742 1.00 0.00 C ATOM 790 C ASP A 52 35.810 25.686 45.515 1.00 0.00 C ATOM 791 O ASP A 52 36.382 26.775 45.440 1.00 0.00 O ATOM 792 CB ASP A 52 37.852 24.530 44.646 1.00 0.00 C ATOM 793 CG ASP A 52 38.394 23.639 43.546 1.00 0.00 C ATOM 794 OD1 ASP A 52 38.485 24.108 42.393 1.00 0.00 O ATOM 795 OD2 ASP A 52 38.728 22.471 43.839 1.00 0.00 O ATOM 0 H ASP A 52 36.127 25.093 42.747 1.00 0.00 H new ATOM 0 HA ASP A 52 36.034 23.574 45.279 1.00 0.00 H new ATOM 0 HB2 ASP A 52 38.166 25.558 44.465 1.00 0.00 H new ATOM 0 HB3 ASP A 52 38.284 24.228 45.600 1.00 0.00 H new ATOM 800 N LEU A 53 34.727 25.488 46.258 1.00 0.00 N ATOM 801 CA LEU A 53 34.132 26.563 47.045 1.00 0.00 C ATOM 802 C LEU A 53 35.065 26.991 48.174 1.00 0.00 C ATOM 803 O LEU A 53 35.000 28.124 48.649 1.00 0.00 O ATOM 804 CB LEU A 53 32.788 26.116 47.621 1.00 0.00 C ATOM 805 CG LEU A 53 31.657 27.144 47.563 1.00 0.00 C ATOM 806 CD1 LEU A 53 31.994 28.357 48.416 1.00 0.00 C ATOM 807 CD2 LEU A 53 31.389 27.560 46.124 1.00 0.00 C ATOM 0 H LEU A 53 34.243 24.593 46.332 1.00 0.00 H new ATOM 0 HA LEU A 53 33.972 27.417 46.387 1.00 0.00 H new ATOM 0 HB2 LEU A 53 32.466 25.221 47.088 1.00 0.00 H new ATOM 0 HB3 LEU A 53 32.939 25.830 48.662 1.00 0.00 H new ATOM 0 HG LEU A 53 30.753 26.685 47.962 1.00 0.00 H new ATOM 0 HD11 LEU A 53 31.178 29.078 48.362 1.00 0.00 H new ATOM 0 HD12 LEU A 53 32.136 28.046 49.451 1.00 0.00 H new ATOM 0 HD13 LEU A 53 32.910 28.818 48.047 1.00 0.00 H new ATOM 0 HD21 LEU A 53 30.581 28.292 46.101 1.00 0.00 H new ATOM 0 HD22 LEU A 53 32.291 28.001 45.699 1.00 0.00 H new ATOM 0 HD23 LEU A 53 31.103 26.685 45.540 1.00 0.00 H new ATOM 819 N GLU A 54 35.933 26.077 48.597 1.00 0.00 N ATOM 820 CA GLU A 54 36.880 26.362 49.669 1.00 0.00 C ATOM 821 C GLU A 54 38.065 27.169 49.148 1.00 0.00 C ATOM 822 O GLU A 54 38.576 28.056 49.832 1.00 0.00 O ATOM 823 CB GLU A 54 37.374 25.059 50.301 1.00 0.00 C ATOM 824 CG GLU A 54 38.034 24.114 49.311 1.00 0.00 C ATOM 825 CD GLU A 54 38.530 22.838 49.964 1.00 0.00 C ATOM 826 OE1 GLU A 54 38.957 22.898 51.136 1.00 0.00 O ATOM 827 OE2 GLU A 54 38.489 21.780 49.303 1.00 0.00 O ATOM 0 H GLU A 54 36.000 25.134 48.214 1.00 0.00 H new ATOM 0 HA GLU A 54 36.366 26.953 50.427 1.00 0.00 H new ATOM 0 HB2 GLU A 54 38.084 25.296 51.093 1.00 0.00 H new ATOM 0 HB3 GLU A 54 36.532 24.550 50.770 1.00 0.00 H new ATOM 0 HG2 GLU A 54 37.322 23.862 48.525 1.00 0.00 H new ATOM 0 HG3 GLU A 54 38.871 24.622 48.832 1.00 0.00 H new ATOM 834 N THR A 55 38.498 26.855 47.931 1.00 0.00 N ATOM 835 CA THR A 55 39.623 27.549 47.317 1.00 0.00 C ATOM 836 C THR A 55 39.260 28.070 45.932 1.00 0.00 C ATOM 837 O THR A 55 39.457 27.384 44.928 1.00 0.00 O ATOM 838 CB THR A 55 40.854 26.631 47.201 1.00 0.00 C ATOM 839 OG1 THR A 55 40.553 25.513 46.359 1.00 0.00 O ATOM 840 CG2 THR A 55 41.292 26.136 48.572 1.00 0.00 C ATOM 0 H THR A 55 38.086 26.124 47.351 1.00 0.00 H new ATOM 0 HA THR A 55 39.866 28.391 47.966 1.00 0.00 H new ATOM 0 HB THR A 55 41.669 27.207 46.763 1.00 0.00 H new ATOM 0 HG1 THR A 55 40.145 25.831 45.527 1.00 0.00 H new ATOM 0 HG21 THR A 55 42.163 25.490 48.464 1.00 0.00 H new ATOM 0 HG22 THR A 55 41.548 26.988 49.202 1.00 0.00 H new ATOM 0 HG23 THR A 55 40.479 25.575 49.033 1.00 0.00 H new ATOM 848 N LEU A 56 38.728 29.286 45.883 1.00 0.00 N ATOM 849 CA LEU A 56 38.337 29.900 44.618 1.00 0.00 C ATOM 850 C LEU A 56 39.027 31.248 44.431 1.00 0.00 C ATOM 851 O LEU A 56 39.410 31.609 43.318 1.00 0.00 O ATOM 852 CB LEU A 56 36.819 30.079 44.564 1.00 0.00 C ATOM 853 CG LEU A 56 36.295 31.049 43.504 1.00 0.00 C ATOM 854 CD1 LEU A 56 36.867 30.705 42.137 1.00 0.00 C ATOM 855 CD2 LEU A 56 34.774 31.029 43.468 1.00 0.00 C ATOM 0 H LEU A 56 38.557 29.867 46.704 1.00 0.00 H new ATOM 0 HA LEU A 56 38.648 29.239 43.809 1.00 0.00 H new ATOM 0 HB2 LEU A 56 36.364 29.104 44.392 1.00 0.00 H new ATOM 0 HB3 LEU A 56 36.479 30.421 45.541 1.00 0.00 H new ATOM 0 HG LEU A 56 36.619 32.056 43.768 1.00 0.00 H new ATOM 0 HD11 LEU A 56 36.483 31.405 41.395 1.00 0.00 H new ATOM 0 HD12 LEU A 56 37.954 30.771 42.170 1.00 0.00 H new ATOM 0 HD13 LEU A 56 36.574 29.691 41.864 1.00 0.00 H new ATOM 0 HD21 LEU A 56 34.419 31.725 42.708 1.00 0.00 H new ATOM 0 HD22 LEU A 56 34.429 30.023 43.228 1.00 0.00 H new ATOM 0 HD23 LEU A 56 34.383 31.324 44.442 1.00 0.00 H new ATOM 867 N GLN A 57 39.183 31.984 45.526 1.00 0.00 N ATOM 868 CA GLN A 57 39.828 33.291 45.481 1.00 0.00 C ATOM 869 C GLN A 57 41.168 33.212 44.758 1.00 0.00 C ATOM 870 O GLN A 57 41.784 32.151 44.654 1.00 0.00 O ATOM 871 CB GLN A 57 40.031 33.832 46.898 1.00 0.00 C ATOM 872 CG GLN A 57 40.510 32.781 47.887 1.00 0.00 C ATOM 873 CD GLN A 57 41.368 33.367 48.991 1.00 0.00 C ATOM 874 OE1 GLN A 57 42.468 33.862 48.741 1.00 0.00 O ATOM 875 NE2 GLN A 57 40.869 33.315 50.220 1.00 0.00 N ATOM 0 H GLN A 57 38.872 31.698 46.454 1.00 0.00 H new ATOM 0 HA GLN A 57 39.178 33.970 44.930 1.00 0.00 H new ATOM 0 HB2 GLN A 57 40.755 34.646 46.867 1.00 0.00 H new ATOM 0 HB3 GLN A 57 39.092 34.254 47.255 1.00 0.00 H new ATOM 0 HG2 GLN A 57 39.647 32.283 48.328 1.00 0.00 H new ATOM 0 HG3 GLN A 57 41.080 32.019 47.355 1.00 0.00 H new ATOM 0 HE21 GLN A 57 39.953 32.896 50.381 1.00 0.00 H new ATOM 0 HE22 GLN A 57 41.401 33.694 51.003 1.00 0.00 H new ATOM 884 N PRO A 58 41.633 34.361 44.244 1.00 0.00 N ATOM 885 CA PRO A 58 40.909 35.630 44.362 1.00 0.00 C ATOM 886 C PRO A 58 39.639 35.653 43.518 1.00 0.00 C ATOM 887 O PRO A 58 38.569 36.024 43.999 1.00 0.00 O ATOM 888 CB PRO A 58 41.914 36.661 43.842 1.00 0.00 C ATOM 889 CG PRO A 58 42.807 35.893 42.930 1.00 0.00 C ATOM 890 CD PRO A 58 42.900 34.509 43.510 1.00 0.00 C ATOM 0 HA PRO A 58 40.576 35.816 45.383 1.00 0.00 H new ATOM 0 HB2 PRO A 58 41.412 37.472 43.314 1.00 0.00 H new ATOM 0 HB3 PRO A 58 42.477 37.113 44.659 1.00 0.00 H new ATOM 0 HG2 PRO A 58 42.402 35.866 41.919 1.00 0.00 H new ATOM 0 HG3 PRO A 58 43.792 36.356 42.866 1.00 0.00 H new ATOM 0 HD2 PRO A 58 43.004 33.753 42.731 1.00 0.00 H new ATOM 0 HD3 PRO A 58 43.761 34.407 44.170 1.00 0.00 H new ATOM 898 N GLY A 59 39.764 35.252 42.256 1.00 0.00 N ATOM 899 CA GLY A 59 38.618 35.234 41.366 1.00 0.00 C ATOM 900 C GLY A 59 38.834 34.342 40.160 1.00 0.00 C ATOM 901 O GLY A 59 38.845 34.816 39.024 1.00 0.00 O ATOM 0 H GLY A 59 40.639 34.939 41.835 1.00 0.00 H new ATOM 0 HA2 GLY A 59 37.741 34.891 41.915 1.00 0.00 H new ATOM 0 HA3 GLY A 59 38.407 36.249 41.030 1.00 0.00 H new ATOM 905 N ASP A 60 39.009 33.049 40.407 1.00 0.00 N ATOM 906 CA ASP A 60 39.227 32.088 39.331 1.00 0.00 C ATOM 907 C ASP A 60 38.123 32.186 38.283 1.00 0.00 C ATOM 908 O ASP A 60 36.938 32.207 38.615 1.00 0.00 O ATOM 909 CB ASP A 60 39.289 30.667 39.893 1.00 0.00 C ATOM 910 CG ASP A 60 40.470 29.883 39.354 1.00 0.00 C ATOM 911 OD1 ASP A 60 40.548 29.702 38.121 1.00 0.00 O ATOM 912 OD2 ASP A 60 41.314 29.449 40.166 1.00 0.00 O ATOM 0 H ASP A 60 39.004 32.642 41.342 1.00 0.00 H new ATOM 0 HA ASP A 60 40.178 32.324 38.854 1.00 0.00 H new ATOM 0 HB2 ASP A 60 39.352 30.712 40.980 1.00 0.00 H new ATOM 0 HB3 ASP A 60 38.366 30.142 39.648 1.00 0.00 H new ATOM 917 N ASP A 61 38.521 32.247 37.017 1.00 0.00 N ATOM 918 CA ASP A 61 37.566 32.343 35.919 1.00 0.00 C ATOM 919 C ASP A 61 36.515 31.241 36.015 1.00 0.00 C ATOM 920 O ASP A 61 36.832 30.090 36.315 1.00 0.00 O ATOM 921 CB ASP A 61 38.291 32.257 34.575 1.00 0.00 C ATOM 922 CG ASP A 61 39.434 33.247 34.470 1.00 0.00 C ATOM 923 OD1 ASP A 61 39.166 34.467 34.481 1.00 0.00 O ATOM 924 OD2 ASP A 61 40.597 32.802 34.376 1.00 0.00 O ATOM 0 H ASP A 61 39.498 32.232 36.726 1.00 0.00 H new ATOM 0 HA ASP A 61 37.063 33.307 35.991 1.00 0.00 H new ATOM 0 HB2 ASP A 61 38.675 31.246 34.437 1.00 0.00 H new ATOM 0 HB3 ASP A 61 37.580 32.440 33.769 1.00 0.00 H new ATOM 929 N VAL A 62 35.261 31.602 35.760 1.00 0.00 N ATOM 930 CA VAL A 62 34.163 30.645 35.818 1.00 0.00 C ATOM 931 C VAL A 62 33.221 30.817 34.632 1.00 0.00 C ATOM 932 O VAL A 62 33.113 31.904 34.065 1.00 0.00 O ATOM 933 CB VAL A 62 33.359 30.791 37.124 1.00 0.00 C ATOM 934 CG1 VAL A 62 34.168 30.285 38.308 1.00 0.00 C ATOM 935 CG2 VAL A 62 32.942 32.239 37.332 1.00 0.00 C ATOM 0 H VAL A 62 34.981 32.551 35.511 1.00 0.00 H new ATOM 0 HA VAL A 62 34.608 29.651 35.784 1.00 0.00 H new ATOM 0 HB VAL A 62 32.457 30.184 37.046 1.00 0.00 H new ATOM 0 HG11 VAL A 62 33.584 30.396 39.222 1.00 0.00 H new ATOM 0 HG12 VAL A 62 34.412 29.233 38.159 1.00 0.00 H new ATOM 0 HG13 VAL A 62 35.088 30.863 38.393 1.00 0.00 H new ATOM 0 HG21 VAL A 62 32.375 32.325 38.259 1.00 0.00 H new ATOM 0 HG22 VAL A 62 33.830 32.869 37.390 1.00 0.00 H new ATOM 0 HG23 VAL A 62 32.322 32.563 36.496 1.00 0.00 H new ATOM 945 N GLU A 63 32.540 29.737 34.262 1.00 0.00 N ATOM 946 CA GLU A 63 31.606 29.769 33.143 1.00 0.00 C ATOM 947 C GLU A 63 30.193 29.426 33.603 1.00 0.00 C ATOM 948 O GLU A 63 30.004 28.664 34.551 1.00 0.00 O ATOM 949 CB GLU A 63 32.050 28.792 32.051 1.00 0.00 C ATOM 950 CG GLU A 63 31.382 29.036 30.709 1.00 0.00 C ATOM 951 CD GLU A 63 31.864 28.079 29.635 1.00 0.00 C ATOM 952 OE1 GLU A 63 33.082 27.806 29.588 1.00 0.00 O ATOM 953 OE2 GLU A 63 31.024 27.603 28.843 1.00 0.00 O ATOM 0 H GLU A 63 32.618 28.829 34.721 1.00 0.00 H new ATOM 0 HA GLU A 63 31.601 30.780 32.736 1.00 0.00 H new ATOM 0 HB2 GLU A 63 33.131 28.864 31.928 1.00 0.00 H new ATOM 0 HB3 GLU A 63 31.833 27.774 32.376 1.00 0.00 H new ATOM 0 HG2 GLU A 63 30.302 28.936 30.821 1.00 0.00 H new ATOM 0 HG3 GLU A 63 31.576 30.060 30.391 1.00 0.00 H new ATOM 960 N PHE A 64 29.201 29.995 32.925 1.00 0.00 N ATOM 961 CA PHE A 64 27.804 29.752 33.264 1.00 0.00 C ATOM 962 C PHE A 64 26.927 29.784 32.016 1.00 0.00 C ATOM 963 O PHE A 64 27.382 30.155 30.933 1.00 0.00 O ATOM 964 CB PHE A 64 27.314 30.792 34.273 1.00 0.00 C ATOM 965 CG PHE A 64 27.642 32.206 33.884 1.00 0.00 C ATOM 966 CD1 PHE A 64 26.834 32.900 32.998 1.00 0.00 C ATOM 967 CD2 PHE A 64 28.758 32.840 34.405 1.00 0.00 C ATOM 968 CE1 PHE A 64 27.134 34.200 32.638 1.00 0.00 C ATOM 969 CE2 PHE A 64 29.063 34.140 34.049 1.00 0.00 C ATOM 970 CZ PHE A 64 28.249 34.821 33.165 1.00 0.00 C ATOM 0 H PHE A 64 29.339 30.628 32.137 1.00 0.00 H new ATOM 0 HA PHE A 64 27.732 28.760 33.711 1.00 0.00 H new ATOM 0 HB2 PHE A 64 26.234 30.696 34.386 1.00 0.00 H new ATOM 0 HB3 PHE A 64 27.757 30.579 35.246 1.00 0.00 H new ATOM 0 HD1 PHE A 64 25.960 32.420 32.584 1.00 0.00 H new ATOM 0 HD2 PHE A 64 29.397 32.312 35.097 1.00 0.00 H new ATOM 0 HE1 PHE A 64 26.497 34.730 31.945 1.00 0.00 H new ATOM 0 HE2 PHE A 64 29.937 34.623 34.461 1.00 0.00 H new ATOM 0 HZ PHE A 64 28.484 35.838 32.886 1.00 0.00 H new ATOM 980 N THR A 65 25.667 29.394 32.175 1.00 0.00 N ATOM 981 CA THR A 65 24.726 29.376 31.062 1.00 0.00 C ATOM 982 C THR A 65 23.466 30.167 31.394 1.00 0.00 C ATOM 983 O THR A 65 22.787 29.884 32.382 1.00 0.00 O ATOM 984 CB THR A 65 24.329 27.936 30.684 1.00 0.00 C ATOM 985 OG1 THR A 65 25.502 27.159 30.419 1.00 0.00 O ATOM 986 CG2 THR A 65 23.422 27.927 29.464 1.00 0.00 C ATOM 0 H THR A 65 25.274 29.086 33.064 1.00 0.00 H new ATOM 0 HA THR A 65 25.231 29.840 30.215 1.00 0.00 H new ATOM 0 HB THR A 65 23.786 27.500 31.523 1.00 0.00 H new ATOM 0 HG1 THR A 65 25.242 26.245 30.181 1.00 0.00 H new ATOM 0 HG21 THR A 65 23.155 26.900 29.216 1.00 0.00 H new ATOM 0 HG22 THR A 65 22.517 28.495 29.679 1.00 0.00 H new ATOM 0 HG23 THR A 65 23.943 28.380 28.620 1.00 0.00 H new ATOM 994 N ILE A 66 23.160 31.159 30.565 1.00 0.00 N ATOM 995 CA ILE A 66 21.980 31.989 30.771 1.00 0.00 C ATOM 996 C ILE A 66 20.748 31.363 30.126 1.00 0.00 C ATOM 997 O ILE A 66 20.825 30.789 29.040 1.00 0.00 O ATOM 998 CB ILE A 66 22.181 33.405 30.198 1.00 0.00 C ATOM 999 CG1 ILE A 66 23.504 33.995 30.691 1.00 0.00 C ATOM 1000 CG2 ILE A 66 21.017 34.304 30.587 1.00 0.00 C ATOM 1001 CD1 ILE A 66 23.606 34.075 32.198 1.00 0.00 C ATOM 0 H ILE A 66 23.713 31.407 29.745 1.00 0.00 H new ATOM 0 HA ILE A 66 21.828 32.059 31.848 1.00 0.00 H new ATOM 0 HB ILE A 66 22.216 33.339 29.111 1.00 0.00 H new ATOM 0 HG12 ILE A 66 24.327 33.389 30.311 1.00 0.00 H new ATOM 0 HG13 ILE A 66 23.625 34.994 30.273 1.00 0.00 H new ATOM 0 HG21 ILE A 66 21.174 35.301 30.175 1.00 0.00 H new ATOM 0 HG22 ILE A 66 20.089 33.890 30.192 1.00 0.00 H new ATOM 0 HG23 ILE A 66 20.953 34.367 31.673 1.00 0.00 H new ATOM 0 HD11 ILE A 66 24.569 34.503 32.475 1.00 0.00 H new ATOM 0 HD12 ILE A 66 22.805 34.705 32.584 1.00 0.00 H new ATOM 0 HD13 ILE A 66 23.517 33.075 32.622 1.00 0.00 H new ATOM 1013 N LYS A 67 19.610 31.479 30.803 1.00 0.00 N ATOM 1014 CA LYS A 67 18.359 30.928 30.297 1.00 0.00 C ATOM 1015 C LYS A 67 17.295 32.014 30.176 1.00 0.00 C ATOM 1016 O LYS A 67 17.549 33.181 30.476 1.00 0.00 O ATOM 1017 CB LYS A 67 17.860 29.811 31.216 1.00 0.00 C ATOM 1018 CG LYS A 67 18.932 28.796 31.576 1.00 0.00 C ATOM 1019 CD LYS A 67 19.401 28.024 30.354 1.00 0.00 C ATOM 1020 CE LYS A 67 19.777 26.593 30.710 1.00 0.00 C ATOM 1021 NZ LYS A 67 18.576 25.724 30.851 1.00 0.00 N ATOM 0 H LYS A 67 19.529 31.950 31.704 1.00 0.00 H new ATOM 0 HA LYS A 67 18.548 30.517 29.305 1.00 0.00 H new ATOM 0 HB2 LYS A 67 17.468 30.253 32.132 1.00 0.00 H new ATOM 0 HB3 LYS A 67 17.031 29.295 30.731 1.00 0.00 H new ATOM 0 HG2 LYS A 67 19.780 29.307 32.032 1.00 0.00 H new ATOM 0 HG3 LYS A 67 18.541 28.101 32.319 1.00 0.00 H new ATOM 0 HD2 LYS A 67 18.613 28.018 29.601 1.00 0.00 H new ATOM 0 HD3 LYS A 67 20.260 28.528 29.911 1.00 0.00 H new ATOM 0 HE2 LYS A 67 20.431 26.187 29.939 1.00 0.00 H new ATOM 0 HE3 LYS A 67 20.342 26.587 31.642 1.00 0.00 H new ATOM 0 HZ1 LYS A 67 18.873 24.757 31.094 1.00 0.00 H new ATOM 0 HZ2 LYS A 67 17.964 26.097 31.604 1.00 0.00 H new ATOM 0 HZ3 LYS A 67 18.051 25.709 29.954 1.00 0.00 H new ATOM 1035 N ASP A 68 16.103 31.623 29.737 1.00 0.00 N ATOM 1036 CA ASP A 68 15.000 32.563 29.580 1.00 0.00 C ATOM 1037 C ASP A 68 14.330 32.845 30.921 1.00 0.00 C ATOM 1038 O ASP A 68 13.826 31.934 31.578 1.00 0.00 O ATOM 1039 CB ASP A 68 13.972 32.016 28.588 1.00 0.00 C ATOM 1040 CG ASP A 68 12.633 32.717 28.696 1.00 0.00 C ATOM 1041 OD1 ASP A 68 12.558 33.911 28.338 1.00 0.00 O ATOM 1042 OD2 ASP A 68 11.659 32.072 29.139 1.00 0.00 O ATOM 0 H ASP A 68 15.877 30.661 29.484 1.00 0.00 H new ATOM 0 HA ASP A 68 15.405 33.498 29.193 1.00 0.00 H new ATOM 0 HB2 ASP A 68 14.356 32.126 27.574 1.00 0.00 H new ATOM 0 HB3 ASP A 68 13.835 30.949 28.763 1.00 0.00 H new ATOM 1047 N ARG A 69 14.331 34.112 31.323 1.00 0.00 N ATOM 1048 CA ARG A 69 13.726 34.513 32.587 1.00 0.00 C ATOM 1049 C ARG A 69 13.140 35.918 32.488 1.00 0.00 C ATOM 1050 O ARG A 69 13.830 36.863 32.109 1.00 0.00 O ATOM 1051 CB ARG A 69 14.761 34.458 33.713 1.00 0.00 C ATOM 1052 CG ARG A 69 14.158 34.196 35.083 1.00 0.00 C ATOM 1053 CD ARG A 69 14.211 32.719 35.441 1.00 0.00 C ATOM 1054 NE ARG A 69 12.888 32.182 35.748 1.00 0.00 N ATOM 1055 CZ ARG A 69 12.674 30.927 36.127 1.00 0.00 C ATOM 1056 NH1 ARG A 69 13.691 30.085 36.247 1.00 0.00 N ATOM 1057 NH2 ARG A 69 11.441 30.513 36.389 1.00 0.00 N ATOM 0 H ARG A 69 14.744 34.878 30.791 1.00 0.00 H new ATOM 0 HA ARG A 69 12.918 33.816 32.811 1.00 0.00 H new ATOM 0 HB2 ARG A 69 15.487 33.676 33.490 1.00 0.00 H new ATOM 0 HB3 ARG A 69 15.306 35.401 33.740 1.00 0.00 H new ATOM 0 HG2 ARG A 69 14.696 34.773 35.835 1.00 0.00 H new ATOM 0 HG3 ARG A 69 13.123 34.538 35.098 1.00 0.00 H new ATOM 0 HD2 ARG A 69 14.645 32.160 34.612 1.00 0.00 H new ATOM 0 HD3 ARG A 69 14.868 32.577 36.299 1.00 0.00 H new ATOM 0 HE ARG A 69 12.084 32.805 35.667 1.00 0.00 H new ATOM 0 HH11 ARG A 69 14.640 30.400 36.048 1.00 0.00 H new ATOM 0 HH12 ARG A 69 13.524 29.122 36.538 1.00 0.00 H new ATOM 0 HH21 ARG A 69 10.656 31.159 36.299 1.00 0.00 H new ATOM 0 HH22 ARG A 69 11.278 29.549 36.680 1.00 0.00 H new ATOM 1071 N ASN A 70 11.862 36.047 32.831 1.00 0.00 N ATOM 1072 CA ASN A 70 11.183 37.336 32.780 1.00 0.00 C ATOM 1073 C ASN A 70 11.514 38.175 34.010 1.00 0.00 C ATOM 1074 O ASN A 70 11.038 37.898 35.110 1.00 0.00 O ATOM 1075 CB ASN A 70 9.670 37.135 32.678 1.00 0.00 C ATOM 1076 CG ASN A 70 8.901 38.431 32.852 1.00 0.00 C ATOM 1077 OD1 ASN A 70 8.623 39.136 31.881 1.00 0.00 O ATOM 1078 ND2 ASN A 70 8.555 38.751 34.093 1.00 0.00 N ATOM 0 H ASN A 70 11.276 35.274 33.147 1.00 0.00 H new ATOM 0 HA ASN A 70 11.533 37.868 31.895 1.00 0.00 H new ATOM 0 HB2 ASN A 70 9.429 36.700 31.708 1.00 0.00 H new ATOM 0 HB3 ASN A 70 9.349 36.421 33.436 1.00 0.00 H new ATOM 0 HD21 ASN A 70 8.037 39.611 34.272 1.00 0.00 H new ATOM 0 HD22 ASN A 70 8.807 38.136 34.867 1.00 0.00 H new ATOM 1085 N GLY A 71 12.335 39.203 33.815 1.00 0.00 N ATOM 1086 CA GLY A 71 12.716 40.067 34.917 1.00 0.00 C ATOM 1087 C GLY A 71 14.213 40.294 34.985 1.00 0.00 C ATOM 1088 O GLY A 71 14.713 41.330 34.547 1.00 0.00 O ATOM 0 H GLY A 71 12.743 39.453 32.914 1.00 0.00 H new ATOM 0 HA2 GLY A 71 12.210 41.027 34.813 1.00 0.00 H new ATOM 0 HA3 GLY A 71 12.375 39.627 35.854 1.00 0.00 H new ATOM 1092 N LYS A 72 14.932 39.323 35.538 1.00 0.00 N ATOM 1093 CA LYS A 72 16.382 39.421 35.664 1.00 0.00 C ATOM 1094 C LYS A 72 17.062 38.182 35.089 1.00 0.00 C ATOM 1095 O LYS A 72 16.500 37.088 35.112 1.00 0.00 O ATOM 1096 CB LYS A 72 16.777 39.598 37.132 1.00 0.00 C ATOM 1097 CG LYS A 72 17.194 41.015 37.483 1.00 0.00 C ATOM 1098 CD LYS A 72 18.699 41.195 37.382 1.00 0.00 C ATOM 1099 CE LYS A 72 19.174 42.388 38.197 1.00 0.00 C ATOM 1100 NZ LYS A 72 20.273 43.124 37.513 1.00 0.00 N ATOM 0 H LYS A 72 14.534 38.459 35.906 1.00 0.00 H new ATOM 0 HA LYS A 72 16.713 40.292 35.098 1.00 0.00 H new ATOM 0 HB2 LYS A 72 15.937 39.309 37.763 1.00 0.00 H new ATOM 0 HB3 LYS A 72 17.598 38.919 37.363 1.00 0.00 H new ATOM 0 HG2 LYS A 72 16.697 41.718 36.814 1.00 0.00 H new ATOM 0 HG3 LYS A 72 16.866 41.252 38.495 1.00 0.00 H new ATOM 0 HD2 LYS A 72 19.199 40.292 37.732 1.00 0.00 H new ATOM 0 HD3 LYS A 72 18.981 41.331 36.338 1.00 0.00 H new ATOM 0 HE2 LYS A 72 18.338 43.065 38.372 1.00 0.00 H new ATOM 0 HE3 LYS A 72 19.518 42.047 39.174 1.00 0.00 H new ATOM 0 HZ1 LYS A 72 20.569 43.930 38.100 1.00 0.00 H new ATOM 0 HZ2 LYS A 72 21.081 42.485 37.369 1.00 0.00 H new ATOM 0 HZ3 LYS A 72 19.937 43.471 36.592 1.00 0.00 H new ATOM 1114 N GLU A 73 18.275 38.363 34.576 1.00 0.00 N ATOM 1115 CA GLU A 73 19.031 37.259 33.996 1.00 0.00 C ATOM 1116 C GLU A 73 19.932 36.609 35.042 1.00 0.00 C ATOM 1117 O GLU A 73 20.894 37.217 35.513 1.00 0.00 O ATOM 1118 CB GLU A 73 19.872 37.751 32.817 1.00 0.00 C ATOM 1119 CG GLU A 73 19.137 37.712 31.487 1.00 0.00 C ATOM 1120 CD GLU A 73 19.669 38.730 30.497 1.00 0.00 C ATOM 1121 OE1 GLU A 73 20.777 38.514 29.962 1.00 0.00 O ATOM 1122 OE2 GLU A 73 18.978 39.742 30.256 1.00 0.00 O ATOM 0 H GLU A 73 18.755 39.263 34.550 1.00 0.00 H new ATOM 0 HA GLU A 73 18.321 36.513 33.639 1.00 0.00 H new ATOM 0 HB2 GLU A 73 20.196 38.773 33.014 1.00 0.00 H new ATOM 0 HB3 GLU A 73 20.772 37.140 32.743 1.00 0.00 H new ATOM 0 HG2 GLU A 73 19.223 36.714 31.058 1.00 0.00 H new ATOM 0 HG3 GLU A 73 18.076 37.896 31.657 1.00 0.00 H new ATOM 1129 N VAL A 74 19.614 35.369 35.401 1.00 0.00 N ATOM 1130 CA VAL A 74 20.395 34.635 36.390 1.00 0.00 C ATOM 1131 C VAL A 74 21.113 33.451 35.754 1.00 0.00 C ATOM 1132 O VAL A 74 20.612 32.842 34.809 1.00 0.00 O ATOM 1133 CB VAL A 74 19.506 34.126 37.540 1.00 0.00 C ATOM 1134 CG1 VAL A 74 18.907 35.293 38.309 1.00 0.00 C ATOM 1135 CG2 VAL A 74 18.414 33.212 37.004 1.00 0.00 C ATOM 0 H VAL A 74 18.821 34.852 35.022 1.00 0.00 H new ATOM 0 HA VAL A 74 21.133 35.330 36.791 1.00 0.00 H new ATOM 0 HB VAL A 74 20.125 33.550 38.227 1.00 0.00 H new ATOM 0 HG11 VAL A 74 18.282 34.914 39.117 1.00 0.00 H new ATOM 0 HG12 VAL A 74 19.708 35.904 38.726 1.00 0.00 H new ATOM 0 HG13 VAL A 74 18.301 35.899 37.636 1.00 0.00 H new ATOM 0 HG21 VAL A 74 17.795 32.861 37.830 1.00 0.00 H new ATOM 0 HG22 VAL A 74 17.795 33.762 36.295 1.00 0.00 H new ATOM 0 HG23 VAL A 74 18.868 32.357 36.503 1.00 0.00 H new ATOM 1145 N ALA A 75 22.291 33.129 36.279 1.00 0.00 N ATOM 1146 CA ALA A 75 23.078 32.015 35.764 1.00 0.00 C ATOM 1147 C ALA A 75 22.820 30.744 36.566 1.00 0.00 C ATOM 1148 O ALA A 75 22.541 30.799 37.764 1.00 0.00 O ATOM 1149 CB ALA A 75 24.559 32.362 35.784 1.00 0.00 C ATOM 0 H ALA A 75 22.721 33.624 37.060 1.00 0.00 H new ATOM 0 HA ALA A 75 22.773 31.832 34.734 1.00 0.00 H new ATOM 0 HB1 ALA A 75 25.135 31.521 35.397 1.00 0.00 H new ATOM 0 HB2 ALA A 75 24.735 33.240 35.162 1.00 0.00 H new ATOM 0 HB3 ALA A 75 24.869 32.574 36.807 1.00 0.00 H new ATOM 1155 N THR A 76 22.914 29.599 35.897 1.00 0.00 N ATOM 1156 CA THR A 76 22.688 28.314 36.547 1.00 0.00 C ATOM 1157 C THR A 76 23.762 27.305 36.156 1.00 0.00 C ATOM 1158 O THR A 76 24.304 27.357 35.052 1.00 0.00 O ATOM 1159 CB THR A 76 21.305 27.739 36.190 1.00 0.00 C ATOM 1160 OG1 THR A 76 20.613 28.635 35.313 1.00 0.00 O ATOM 1161 CG2 THR A 76 20.475 27.507 37.444 1.00 0.00 C ATOM 0 H THR A 76 23.145 29.535 34.906 1.00 0.00 H new ATOM 0 HA THR A 76 22.733 28.491 37.622 1.00 0.00 H new ATOM 0 HB THR A 76 21.452 26.782 35.689 1.00 0.00 H new ATOM 0 HG1 THR A 76 19.735 28.261 35.089 1.00 0.00 H new ATOM 0 HG21 THR A 76 19.502 27.101 37.167 1.00 0.00 H new ATOM 0 HG22 THR A 76 20.990 26.802 38.096 1.00 0.00 H new ATOM 0 HG23 THR A 76 20.337 28.452 37.969 1.00 0.00 H new ATOM 1169 N ASP A 77 24.064 26.387 37.067 1.00 0.00 N ATOM 1170 CA ASP A 77 25.072 25.363 36.817 1.00 0.00 C ATOM 1171 C ASP A 77 26.396 25.995 36.398 1.00 0.00 C ATOM 1172 O ASP A 77 26.796 25.911 35.237 1.00 0.00 O ATOM 1173 CB ASP A 77 24.590 24.396 35.735 1.00 0.00 C ATOM 1174 CG ASP A 77 23.269 23.741 36.090 1.00 0.00 C ATOM 1175 OD1 ASP A 77 22.213 24.309 35.743 1.00 0.00 O ATOM 1176 OD2 ASP A 77 23.293 22.661 36.716 1.00 0.00 O ATOM 0 H ASP A 77 23.625 26.331 37.986 1.00 0.00 H new ATOM 0 HA ASP A 77 25.230 24.810 37.743 1.00 0.00 H new ATOM 0 HB2 ASP A 77 24.484 24.933 34.793 1.00 0.00 H new ATOM 0 HB3 ASP A 77 25.344 23.625 35.579 1.00 0.00 H new ATOM 1181 N VAL A 78 27.071 26.630 37.351 1.00 0.00 N ATOM 1182 CA VAL A 78 28.349 27.277 37.081 1.00 0.00 C ATOM 1183 C VAL A 78 29.492 26.269 37.109 1.00 0.00 C ATOM 1184 O VAL A 78 29.537 25.389 37.970 1.00 0.00 O ATOM 1185 CB VAL A 78 28.640 28.394 38.101 1.00 0.00 C ATOM 1186 CG1 VAL A 78 30.002 29.017 37.838 1.00 0.00 C ATOM 1187 CG2 VAL A 78 27.545 29.450 38.061 1.00 0.00 C ATOM 0 H VAL A 78 26.754 26.710 38.317 1.00 0.00 H new ATOM 0 HA VAL A 78 28.278 27.714 36.085 1.00 0.00 H new ATOM 0 HB VAL A 78 28.655 27.956 39.099 1.00 0.00 H new ATOM 0 HG11 VAL A 78 30.189 29.804 38.569 1.00 0.00 H new ATOM 0 HG12 VAL A 78 30.774 28.252 37.922 1.00 0.00 H new ATOM 0 HG13 VAL A 78 30.020 29.442 36.834 1.00 0.00 H new ATOM 0 HG21 VAL A 78 27.766 30.232 38.788 1.00 0.00 H new ATOM 0 HG22 VAL A 78 27.496 29.886 37.063 1.00 0.00 H new ATOM 0 HG23 VAL A 78 26.587 28.990 38.303 1.00 0.00 H new ATOM 1197 N ARG A 79 30.415 26.402 36.163 1.00 0.00 N ATOM 1198 CA ARG A 79 31.559 25.502 36.078 1.00 0.00 C ATOM 1199 C ARG A 79 32.862 26.287 35.962 1.00 0.00 C ATOM 1200 O ARG A 79 32.999 27.158 35.102 1.00 0.00 O ATOM 1201 CB ARG A 79 31.408 24.562 34.880 1.00 0.00 C ATOM 1202 CG ARG A 79 30.129 23.742 34.907 1.00 0.00 C ATOM 1203 CD ARG A 79 29.939 22.964 33.614 1.00 0.00 C ATOM 1204 NE ARG A 79 30.513 21.624 33.692 1.00 0.00 N ATOM 1205 CZ ARG A 79 30.485 20.753 32.690 1.00 0.00 C ATOM 1206 NH1 ARG A 79 29.914 21.080 31.539 1.00 0.00 N ATOM 1207 NH2 ARG A 79 31.029 19.552 32.838 1.00 0.00 N ATOM 0 H ARG A 79 30.393 27.125 35.444 1.00 0.00 H new ATOM 0 HA ARG A 79 31.592 24.911 36.993 1.00 0.00 H new ATOM 0 HB2 ARG A 79 31.433 25.150 33.962 1.00 0.00 H new ATOM 0 HB3 ARG A 79 32.262 23.886 34.849 1.00 0.00 H new ATOM 0 HG2 ARG A 79 30.157 23.050 35.749 1.00 0.00 H new ATOM 0 HG3 ARG A 79 29.276 24.402 35.065 1.00 0.00 H new ATOM 0 HD2 ARG A 79 28.875 22.890 33.389 1.00 0.00 H new ATOM 0 HD3 ARG A 79 30.402 23.509 32.792 1.00 0.00 H new ATOM 0 HE ARG A 79 30.960 21.341 34.564 1.00 0.00 H new ATOM 0 HH11 ARG A 79 29.495 22.002 31.422 1.00 0.00 H new ATOM 0 HH12 ARG A 79 29.894 20.409 30.771 1.00 0.00 H new ATOM 0 HH21 ARG A 79 31.469 19.297 33.722 1.00 0.00 H new ATOM 0 HH22 ARG A 79 31.007 18.884 32.068 1.00 0.00 H new ATOM 1221 N LEU A 80 33.815 25.974 36.832 1.00 0.00 N ATOM 1222 CA LEU A 80 35.108 26.651 36.827 1.00 0.00 C ATOM 1223 C LEU A 80 35.762 26.565 35.452 1.00 0.00 C ATOM 1224 O LEU A 80 35.586 25.584 34.729 1.00 0.00 O ATOM 1225 CB LEU A 80 36.030 26.038 37.882 1.00 0.00 C ATOM 1226 CG LEU A 80 36.197 26.839 39.174 1.00 0.00 C ATOM 1227 CD1 LEU A 80 37.037 26.063 40.178 1.00 0.00 C ATOM 1228 CD2 LEU A 80 36.826 28.194 38.884 1.00 0.00 C ATOM 0 H LEU A 80 33.718 25.256 37.550 1.00 0.00 H new ATOM 0 HA LEU A 80 34.942 27.702 37.065 1.00 0.00 H new ATOM 0 HB2 LEU A 80 35.650 25.049 38.138 1.00 0.00 H new ATOM 0 HB3 LEU A 80 37.015 25.895 37.437 1.00 0.00 H new ATOM 0 HG LEU A 80 35.210 27.004 39.607 1.00 0.00 H new ATOM 0 HD11 LEU A 80 37.145 26.648 41.091 1.00 0.00 H new ATOM 0 HD12 LEU A 80 36.546 25.117 40.409 1.00 0.00 H new ATOM 0 HD13 LEU A 80 38.022 25.867 39.754 1.00 0.00 H new ATOM 0 HD21 LEU A 80 36.937 28.750 39.815 1.00 0.00 H new ATOM 0 HD22 LEU A 80 37.805 28.050 38.428 1.00 0.00 H new ATOM 0 HD23 LEU A 80 36.186 28.753 38.201 1.00 0.00 H new ATOM 1240 N LEU A 81 36.519 27.598 35.098 1.00 0.00 N ATOM 1241 CA LEU A 81 37.202 27.639 33.809 1.00 0.00 C ATOM 1242 C LEU A 81 38.630 27.118 33.934 1.00 0.00 C ATOM 1243 O LEU A 81 39.213 27.085 35.018 1.00 0.00 O ATOM 1244 CB LEU A 81 37.215 29.067 33.262 1.00 0.00 C ATOM 1245 CG LEU A 81 35.954 29.513 32.520 1.00 0.00 C ATOM 1246 CD1 LEU A 81 36.031 30.993 32.178 1.00 0.00 C ATOM 1247 CD2 LEU A 81 35.754 28.682 31.261 1.00 0.00 C ATOM 0 H LEU A 81 36.675 28.418 35.685 1.00 0.00 H new ATOM 0 HA LEU A 81 36.659 26.996 33.117 1.00 0.00 H new ATOM 0 HB2 LEU A 81 37.385 29.752 34.093 1.00 0.00 H new ATOM 0 HB3 LEU A 81 38.065 29.168 32.587 1.00 0.00 H new ATOM 0 HG LEU A 81 35.096 29.357 33.174 1.00 0.00 H new ATOM 0 HD11 LEU A 81 35.125 31.292 31.650 1.00 0.00 H new ATOM 0 HD12 LEU A 81 36.125 31.574 33.095 1.00 0.00 H new ATOM 0 HD13 LEU A 81 36.898 31.175 31.543 1.00 0.00 H new ATOM 0 HD21 LEU A 81 34.852 29.013 30.746 1.00 0.00 H new ATOM 0 HD22 LEU A 81 36.614 28.806 30.603 1.00 0.00 H new ATOM 0 HD23 LEU A 81 35.652 27.631 31.531 1.00 0.00 H new ATOM 1259 N PRO A 82 39.210 26.701 32.798 1.00 0.00 N ATOM 1260 CA PRO A 82 40.578 26.176 32.753 1.00 0.00 C ATOM 1261 C PRO A 82 41.622 27.259 33.004 1.00 0.00 C ATOM 1262 O PRO A 82 41.291 28.439 33.112 1.00 0.00 O ATOM 1263 CB PRO A 82 40.702 25.633 31.328 1.00 0.00 C ATOM 1264 CG PRO A 82 39.715 26.418 30.535 1.00 0.00 C ATOM 1265 CD PRO A 82 38.574 26.711 31.470 1.00 0.00 C ATOM 0 HA PRO A 82 40.754 25.427 33.525 1.00 0.00 H new ATOM 0 HB2 PRO A 82 41.713 25.763 30.942 1.00 0.00 H new ATOM 0 HB3 PRO A 82 40.481 24.566 31.290 1.00 0.00 H new ATOM 0 HG2 PRO A 82 40.160 27.340 30.161 1.00 0.00 H new ATOM 0 HG3 PRO A 82 39.374 25.853 29.667 1.00 0.00 H new ATOM 0 HD2 PRO A 82 38.113 27.675 31.252 1.00 0.00 H new ATOM 0 HD3 PRO A 82 37.789 25.958 31.395 1.00 0.00 H new ATOM 1273 N GLN A 83 42.883 26.848 33.096 1.00 0.00 N ATOM 1274 CA GLN A 83 43.975 27.784 33.334 1.00 0.00 C ATOM 1275 C GLN A 83 43.789 28.511 34.662 1.00 0.00 C ATOM 1276 O GLN A 83 43.056 29.496 34.744 1.00 0.00 O ATOM 1277 CB GLN A 83 44.065 28.797 32.192 1.00 0.00 C ATOM 1278 CG GLN A 83 45.268 29.721 32.292 1.00 0.00 C ATOM 1279 CD GLN A 83 44.875 31.179 32.425 1.00 0.00 C ATOM 1280 OE1 GLN A 83 44.491 31.822 31.447 1.00 0.00 O ATOM 1281 NE2 GLN A 83 44.969 31.710 33.639 1.00 0.00 N ATOM 0 H GLN A 83 43.173 25.874 33.009 1.00 0.00 H new ATOM 0 HA GLN A 83 44.904 27.216 33.379 1.00 0.00 H new ATOM 0 HB2 GLN A 83 44.107 28.261 31.244 1.00 0.00 H new ATOM 0 HB3 GLN A 83 43.156 29.398 32.178 1.00 0.00 H new ATOM 0 HG2 GLN A 83 45.873 29.432 33.152 1.00 0.00 H new ATOM 0 HG3 GLN A 83 45.892 29.596 31.407 1.00 0.00 H new ATOM 0 HE21 GLN A 83 45.292 31.140 34.421 1.00 0.00 H new ATOM 0 HE22 GLN A 83 44.718 32.687 33.789 1.00 0.00 H new ATOM 1290 N GLY A 84 44.458 28.018 35.700 1.00 0.00 N ATOM 1291 CA GLY A 84 44.352 28.634 37.010 1.00 0.00 C ATOM 1292 C GLY A 84 44.154 27.614 38.115 1.00 0.00 C ATOM 1293 O GLY A 84 43.132 27.622 38.802 1.00 0.00 O ATOM 0 H GLY A 84 45.071 27.204 35.657 1.00 0.00 H new ATOM 0 HA2 GLY A 84 45.254 29.212 37.211 1.00 0.00 H new ATOM 0 HA3 GLY A 84 43.517 29.335 37.012 1.00 0.00 H new ATOM 1297 N THR A 85 45.134 26.732 38.286 1.00 0.00 N ATOM 1298 CA THR A 85 45.062 25.700 39.313 1.00 0.00 C ATOM 1299 C THR A 85 46.415 25.026 39.511 1.00 0.00 C ATOM 1300 O THR A 85 47.299 25.124 38.659 1.00 0.00 O ATOM 1301 CB THR A 85 44.014 24.628 38.959 1.00 0.00 C ATOM 1302 OG1 THR A 85 43.609 24.770 37.593 1.00 0.00 O ATOM 1303 CG2 THR A 85 42.799 24.738 39.867 1.00 0.00 C ATOM 0 H THR A 85 45.987 26.712 37.727 1.00 0.00 H new ATOM 0 HA THR A 85 44.767 26.195 40.238 1.00 0.00 H new ATOM 0 HB THR A 85 44.468 23.647 39.103 1.00 0.00 H new ATOM 0 HG1 THR A 85 42.944 24.084 37.376 1.00 0.00 H new ATOM 0 HG21 THR A 85 42.073 23.971 39.598 1.00 0.00 H new ATOM 0 HG22 THR A 85 43.106 24.599 40.904 1.00 0.00 H new ATOM 0 HG23 THR A 85 42.346 25.723 39.751 1.00 0.00 H new ATOM 1311 N VAL A 86 46.570 24.342 40.640 1.00 0.00 N ATOM 1312 CA VAL A 86 47.816 23.650 40.949 1.00 0.00 C ATOM 1313 C VAL A 86 47.582 22.156 41.142 1.00 0.00 C ATOM 1314 O VAL A 86 46.535 21.742 41.640 1.00 0.00 O ATOM 1315 CB VAL A 86 48.477 24.223 42.217 1.00 0.00 C ATOM 1316 CG1 VAL A 86 49.856 23.615 42.422 1.00 0.00 C ATOM 1317 CG2 VAL A 86 48.561 25.740 42.135 1.00 0.00 C ATOM 0 H VAL A 86 45.849 24.252 41.356 1.00 0.00 H new ATOM 0 HA VAL A 86 48.482 23.804 40.100 1.00 0.00 H new ATOM 0 HB VAL A 86 47.860 23.962 43.077 1.00 0.00 H new ATOM 0 HG11 VAL A 86 50.307 24.032 43.322 1.00 0.00 H new ATOM 0 HG12 VAL A 86 49.765 22.534 42.529 1.00 0.00 H new ATOM 0 HG13 VAL A 86 50.486 23.843 41.562 1.00 0.00 H new ATOM 0 HG21 VAL A 86 49.031 26.128 43.039 1.00 0.00 H new ATOM 0 HG22 VAL A 86 49.155 26.025 41.267 1.00 0.00 H new ATOM 0 HG23 VAL A 86 47.558 26.155 42.040 1.00 0.00 H new ATOM 1327 N ILE A 87 48.562 21.353 40.744 1.00 0.00 N ATOM 1328 CA ILE A 87 48.463 19.905 40.875 1.00 0.00 C ATOM 1329 C ILE A 87 48.967 19.440 42.238 1.00 0.00 C ATOM 1330 O ILE A 87 49.948 19.967 42.762 1.00 0.00 O ATOM 1331 CB ILE A 87 49.261 19.184 39.773 1.00 0.00 C ATOM 1332 CG1 ILE A 87 48.830 19.683 38.392 1.00 0.00 C ATOM 1333 CG2 ILE A 87 49.072 17.678 39.880 1.00 0.00 C ATOM 1334 CD1 ILE A 87 49.684 19.149 37.263 1.00 0.00 C ATOM 0 H ILE A 87 49.434 21.680 40.328 1.00 0.00 H new ATOM 0 HA ILE A 87 47.408 19.651 40.774 1.00 0.00 H new ATOM 0 HB ILE A 87 50.319 19.408 39.906 1.00 0.00 H new ATOM 0 HG12 ILE A 87 47.793 19.397 38.219 1.00 0.00 H new ATOM 0 HG13 ILE A 87 48.866 20.772 38.380 1.00 0.00 H new ATOM 0 HG21 ILE A 87 49.642 17.183 39.094 1.00 0.00 H new ATOM 0 HG22 ILE A 87 49.423 17.336 40.854 1.00 0.00 H new ATOM 0 HG23 ILE A 87 48.015 17.435 39.769 1.00 0.00 H new ATOM 0 HD11 ILE A 87 49.321 19.544 36.314 1.00 0.00 H new ATOM 0 HD12 ILE A 87 50.719 19.457 37.412 1.00 0.00 H new ATOM 0 HD13 ILE A 87 49.628 18.061 37.248 1.00 0.00 H new ATOM 1346 N PHE A 88 48.289 18.448 42.806 1.00 0.00 N ATOM 1347 CA PHE A 88 48.668 17.911 44.108 1.00 0.00 C ATOM 1348 C PHE A 88 49.613 16.724 43.952 1.00 0.00 C ATOM 1349 O PHE A 88 49.532 15.976 42.978 1.00 0.00 O ATOM 1350 CB PHE A 88 47.423 17.486 44.890 1.00 0.00 C ATOM 1351 CG PHE A 88 47.158 18.335 46.101 1.00 0.00 C ATOM 1352 CD1 PHE A 88 46.808 19.668 45.965 1.00 0.00 C ATOM 1353 CD2 PHE A 88 47.259 17.798 47.374 1.00 0.00 C ATOM 1354 CE1 PHE A 88 46.563 20.452 47.078 1.00 0.00 C ATOM 1355 CE2 PHE A 88 47.014 18.576 48.490 1.00 0.00 C ATOM 1356 CZ PHE A 88 46.667 19.905 48.341 1.00 0.00 C ATOM 0 H PHE A 88 47.475 18.000 42.385 1.00 0.00 H new ATOM 0 HA PHE A 88 49.186 18.695 44.660 1.00 0.00 H new ATOM 0 HB2 PHE A 88 46.557 17.528 44.230 1.00 0.00 H new ATOM 0 HB3 PHE A 88 47.536 16.448 45.202 1.00 0.00 H new ATOM 0 HD1 PHE A 88 46.725 20.100 44.979 1.00 0.00 H new ATOM 0 HD2 PHE A 88 47.532 16.760 47.496 1.00 0.00 H new ATOM 0 HE1 PHE A 88 46.291 21.490 46.959 1.00 0.00 H new ATOM 0 HE2 PHE A 88 47.094 18.145 49.477 1.00 0.00 H new ATOM 0 HZ PHE A 88 46.477 20.515 49.212 1.00 0.00 H new ATOM 1366 N GLU A 89 50.511 16.558 44.919 1.00 0.00 N ATOM 1367 CA GLU A 89 51.473 15.463 44.888 1.00 0.00 C ATOM 1368 C GLU A 89 50.773 14.119 45.067 1.00 0.00 C ATOM 1369 O GLU A 89 49.554 14.058 45.232 1.00 0.00 O ATOM 1370 CB GLU A 89 52.528 15.651 45.981 1.00 0.00 C ATOM 1371 CG GLU A 89 53.261 16.979 45.897 1.00 0.00 C ATOM 1372 CD GLU A 89 54.603 16.949 46.602 1.00 0.00 C ATOM 1373 OE1 GLU A 89 54.641 17.237 47.816 1.00 0.00 O ATOM 1374 OE2 GLU A 89 55.615 16.638 45.939 1.00 0.00 O ATOM 0 H GLU A 89 50.592 17.168 45.733 1.00 0.00 H new ATOM 0 HA GLU A 89 51.963 15.471 43.915 1.00 0.00 H new ATOM 0 HB2 GLU A 89 52.047 15.572 46.956 1.00 0.00 H new ATOM 0 HB3 GLU A 89 53.254 14.840 45.917 1.00 0.00 H new ATOM 0 HG2 GLU A 89 53.411 17.242 44.850 1.00 0.00 H new ATOM 0 HG3 GLU A 89 52.641 17.761 46.336 1.00 0.00 H new ATOM 1381 N ASP A 90 51.553 13.044 45.033 1.00 0.00 N ATOM 1382 CA ASP A 90 51.009 11.700 45.192 1.00 0.00 C ATOM 1383 C ASP A 90 51.207 11.199 46.619 1.00 0.00 C ATOM 1384 O ASP A 90 51.667 10.077 46.835 1.00 0.00 O ATOM 1385 CB ASP A 90 51.672 10.739 44.204 1.00 0.00 C ATOM 1386 CG ASP A 90 50.746 9.617 43.777 1.00 0.00 C ATOM 1387 OD1 ASP A 90 49.523 9.857 43.697 1.00 0.00 O ATOM 1388 OD2 ASP A 90 51.243 8.500 43.523 1.00 0.00 O ATOM 0 H ASP A 90 52.563 13.077 44.897 1.00 0.00 H new ATOM 0 HA ASP A 90 49.939 11.740 44.986 1.00 0.00 H new ATOM 0 HB2 ASP A 90 51.996 11.294 43.323 1.00 0.00 H new ATOM 0 HB3 ASP A 90 52.567 10.314 44.660 1.00 0.00 H new ATOM 1393 N ILE A 91 50.857 12.037 47.589 1.00 0.00 N ATOM 1394 CA ILE A 91 50.996 11.679 48.995 1.00 0.00 C ATOM 1395 C ILE A 91 49.634 11.454 49.642 1.00 0.00 C ATOM 1396 O ILE A 91 49.463 11.667 50.842 1.00 0.00 O ATOM 1397 CB ILE A 91 51.752 12.766 49.781 1.00 0.00 C ATOM 1398 CG1 ILE A 91 51.094 14.131 49.567 1.00 0.00 C ATOM 1399 CG2 ILE A 91 53.214 12.805 49.359 1.00 0.00 C ATOM 1400 CD1 ILE A 91 50.858 14.896 50.851 1.00 0.00 C ATOM 0 H ILE A 91 50.475 12.969 47.427 1.00 0.00 H new ATOM 0 HA ILE A 91 51.569 10.753 49.029 1.00 0.00 H new ATOM 0 HB ILE A 91 51.707 12.524 50.843 1.00 0.00 H new ATOM 0 HG12 ILE A 91 51.723 14.729 48.908 1.00 0.00 H new ATOM 0 HG13 ILE A 91 50.141 13.990 49.057 1.00 0.00 H new ATOM 0 HG21 ILE A 91 53.735 13.578 49.923 1.00 0.00 H new ATOM 0 HG22 ILE A 91 53.676 11.838 49.557 1.00 0.00 H new ATOM 0 HG23 ILE A 91 53.279 13.027 48.294 1.00 0.00 H new ATOM 0 HD11 ILE A 91 50.389 15.853 50.623 1.00 0.00 H new ATOM 0 HD12 ILE A 91 50.204 14.318 51.504 1.00 0.00 H new ATOM 0 HD13 ILE A 91 51.811 15.069 51.352 1.00 0.00 H new ATOM 1412 N SER A 92 48.668 11.020 48.839 1.00 0.00 N ATOM 1413 CA SER A 92 47.319 10.767 49.333 1.00 0.00 C ATOM 1414 C SER A 92 47.329 9.688 50.412 1.00 0.00 C ATOM 1415 O SER A 92 48.124 8.750 50.361 1.00 0.00 O ATOM 1416 CB SER A 92 46.403 10.346 48.183 1.00 0.00 C ATOM 1417 OG SER A 92 46.933 9.229 47.491 1.00 0.00 O ATOM 0 H SER A 92 48.794 10.836 47.844 1.00 0.00 H new ATOM 0 HA SER A 92 46.940 11.690 49.771 1.00 0.00 H new ATOM 0 HB2 SER A 92 45.415 10.101 48.572 1.00 0.00 H new ATOM 0 HB3 SER A 92 46.276 11.179 47.492 1.00 0.00 H new ATOM 0 HG SER A 92 46.328 8.979 46.762 1.00 0.00 H new ATOM 1423 N GLY A 93 46.439 9.829 51.389 1.00 0.00 N ATOM 1424 CA GLY A 93 46.361 8.860 52.467 1.00 0.00 C ATOM 1425 C GLY A 93 45.450 9.314 53.590 1.00 0.00 C ATOM 1426 O GLY A 93 45.899 9.652 54.685 1.00 0.00 O ATOM 0 H GLY A 93 45.771 10.597 51.454 1.00 0.00 H new ATOM 0 HA2 GLY A 93 46.000 7.910 52.072 1.00 0.00 H new ATOM 0 HA3 GLY A 93 47.360 8.681 52.864 1.00 0.00 H new ATOM 1430 N PRO A 94 44.135 9.328 53.322 1.00 0.00 N ATOM 1431 CA PRO A 94 43.131 9.743 54.306 1.00 0.00 C ATOM 1432 C PRO A 94 42.988 8.741 55.447 1.00 0.00 C ATOM 1433 O PRO A 94 42.326 7.714 55.303 1.00 0.00 O ATOM 1434 CB PRO A 94 41.839 9.810 53.488 1.00 0.00 C ATOM 1435 CG PRO A 94 42.060 8.869 52.354 1.00 0.00 C ATOM 1436 CD PRO A 94 43.529 8.938 52.038 1.00 0.00 C ATOM 0 HA PRO A 94 43.397 10.685 54.787 1.00 0.00 H new ATOM 0 HB2 PRO A 94 40.976 9.515 54.085 1.00 0.00 H new ATOM 0 HB3 PRO A 94 41.648 10.822 53.131 1.00 0.00 H new ATOM 0 HG2 PRO A 94 41.767 7.855 52.626 1.00 0.00 H new ATOM 0 HG3 PRO A 94 41.461 9.153 51.489 1.00 0.00 H new ATOM 0 HD2 PRO A 94 43.910 7.979 51.688 1.00 0.00 H new ATOM 0 HD3 PRO A 94 43.738 9.668 51.256 1.00 0.00 H new ATOM 1444 N SER A 95 43.612 9.048 56.579 1.00 0.00 N ATOM 1445 CA SER A 95 43.557 8.172 57.744 1.00 0.00 C ATOM 1446 C SER A 95 43.878 8.944 59.020 1.00 0.00 C ATOM 1447 O SER A 95 45.039 9.064 59.410 1.00 0.00 O ATOM 1448 CB SER A 95 44.534 7.007 57.579 1.00 0.00 C ATOM 1449 OG SER A 95 43.865 5.837 57.142 1.00 0.00 O ATOM 0 H SER A 95 44.162 9.896 56.715 1.00 0.00 H new ATOM 0 HA SER A 95 42.544 7.778 57.824 1.00 0.00 H new ATOM 0 HB2 SER A 95 45.308 7.277 56.860 1.00 0.00 H new ATOM 0 HB3 SER A 95 45.034 6.811 58.527 1.00 0.00 H new ATOM 0 HG SER A 95 43.193 6.076 56.470 1.00 0.00 H new ATOM 1455 N SER A 96 42.840 9.466 59.665 1.00 0.00 N ATOM 1456 CA SER A 96 43.011 10.230 60.896 1.00 0.00 C ATOM 1457 C SER A 96 43.985 11.385 60.687 1.00 0.00 C ATOM 1458 O SER A 96 44.392 11.674 59.562 1.00 0.00 O ATOM 1459 CB SER A 96 43.511 9.322 62.020 1.00 0.00 C ATOM 1460 OG SER A 96 44.928 9.304 62.069 1.00 0.00 O ATOM 0 H SER A 96 41.872 9.374 59.356 1.00 0.00 H new ATOM 0 HA SER A 96 42.042 10.642 61.177 1.00 0.00 H new ATOM 0 HB2 SER A 96 43.115 9.668 62.975 1.00 0.00 H new ATOM 0 HB3 SER A 96 43.136 8.310 61.868 1.00 0.00 H new ATOM 0 HG SER A 96 45.284 9.136 61.172 1.00 0.00 H new ATOM 1466 N GLY A 97 44.357 12.043 61.781 1.00 0.00 N ATOM 1467 CA GLY A 97 45.281 13.159 61.698 1.00 0.00 C ATOM 1468 C GLY A 97 44.770 14.269 60.801 1.00 0.00 C ATOM 1469 O GLY A 97 45.193 14.391 59.652 1.00 0.00 O ATOM 0 H GLY A 97 44.035 11.823 62.723 1.00 0.00 H new ATOM 0 HA2 GLY A 97 45.457 13.556 62.698 1.00 0.00 H new ATOM 0 HA3 GLY A 97 46.241 12.805 61.322 1.00 0.00 H new TER 1473 GLY A 97