USER MOD reduce.3.24.130724 H: found=0, std=0, add=727, rem=0, adj=18 USER MOD reduce.3.24.130724 removed 726 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 LEU N :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 2 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 4 LYS NZ :NH3+ -172:sc= 0 (180deg=-0.0463) USER MOD Single : A 7 THR OG1 : rot -118:sc= -1.53! USER MOD Single : A 9 SER OG : rot -9:sc= 1.81 USER MOD Single : A 11 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 13 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 15 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 19 THR OG1 : rot 23:sc= 0.539 USER MOD Single : A 20 HIS : no HD1:sc= -14.2! C(o=-14!,f=-18!) USER MOD Single : A 21 ASN : amide:sc= -0.446 K(o=-0.45,f=0.99) USER MOD Single : A 33 THR OG1 : rot 180:sc= 0 USER MOD Single : A 35 THR OG1 : rot 180:sc= 0 USER MOD Single : A 37 THR OG1 : rot 51:sc= 0.496 USER MOD Single : A 41 SER OG : rot -65:sc= 1.08 USER MOD Single : A 54 LYS NZ :NH3+ 167:sc= 0 (180deg=-0.0685) USER MOD Single : A 55 SER OG : rot 180:sc= 0.0296 USER MOD Single : A 56 SER OG : rot 180:sc= -0.833 USER MOD Single : A 57 THR OG1 : rot -0:sc= -2.62! USER MOD Single : A 58 THR OG1 : rot 176:sc= -5.48! USER MOD Single : A 59 SER OG : rot -35:sc= -1.5! USER MOD Single : A 64 SER OG : rot 180:sc= 0 USER MOD Single : A 66 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 70 SER OG : rot -18:sc= 0.98 USER MOD Single : A 72 ASN : amide:sc= -1.41 K(o=-1.4,f=-4.5!) USER MOD Single : A 73 TYR OH : rot 95:sc= -1.19! USER MOD Single : A 74 LYS NZ :NH3+ 159:sc= 0.13 (180deg=0.0409) USER MOD Single : A 76 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 78 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 79 ASN : amide:sc= -7.08! C(o=-7.1!,f=-9.6!) USER MOD Single : A 93 GLN : amide:sc= -0.574 K(o=-0.57,f=0) USER MOD ----------------------------------------------------------------- ATOM 1 N LEU A 1 21.494 -1.082 0.923 1.00 0.00 N ATOM 2 CA LEU A 1 21.030 -0.370 2.147 1.00 0.00 C ATOM 3 C LEU A 1 19.504 -0.442 2.232 1.00 0.00 C ATOM 4 O LEU A 1 18.802 0.206 1.478 1.00 0.00 O ATOM 5 CB LEU A 1 21.471 1.096 2.085 1.00 0.00 C ATOM 6 CG LEU A 1 20.668 1.922 3.094 1.00 0.00 C ATOM 7 CD1 LEU A 1 21.622 2.702 3.990 1.00 0.00 C ATOM 8 CD2 LEU A 1 19.762 2.899 2.346 1.00 0.00 C ATOM 0 H1 LEU A 1 22.531 -1.033 0.865 1.00 0.00 H new ATOM 0 H2 LEU A 1 21.196 -2.077 0.967 1.00 0.00 H new ATOM 0 H3 LEU A 1 21.079 -0.633 0.082 1.00 0.00 H new ATOM 0 HA LEU A 1 21.465 -0.842 3.028 1.00 0.00 H new ATOM 0 HB2 LEU A 1 22.536 1.174 2.303 1.00 0.00 H new ATOM 0 HB3 LEU A 1 21.321 1.488 1.079 1.00 0.00 H new ATOM 0 HG LEU A 1 20.060 1.255 3.705 1.00 0.00 H new ATOM 0 HD11 LEU A 1 21.049 3.289 4.707 1.00 0.00 H new ATOM 0 HD12 LEU A 1 22.269 2.007 4.525 1.00 0.00 H new ATOM 0 HD13 LEU A 1 22.231 3.369 3.380 1.00 0.00 H new ATOM 0 HD21 LEU A 1 19.190 3.487 3.064 1.00 0.00 H new ATOM 0 HD22 LEU A 1 20.371 3.565 1.735 1.00 0.00 H new ATOM 0 HD23 LEU A 1 19.078 2.343 1.705 1.00 0.00 H new ATOM 22 N LYS A 2 18.989 -1.201 3.161 1.00 0.00 N ATOM 23 CA LYS A 2 17.512 -1.296 3.310 1.00 0.00 C ATOM 24 C LYS A 2 16.897 -1.602 1.938 1.00 0.00 C ATOM 25 O LYS A 2 17.614 -1.687 0.961 1.00 0.00 O ATOM 26 CB LYS A 2 17.010 0.046 3.844 1.00 0.00 C ATOM 27 CG LYS A 2 16.888 -0.017 5.370 1.00 0.00 C ATOM 28 CD LYS A 2 18.258 -0.315 5.988 1.00 0.00 C ATOM 29 CE LYS A 2 18.709 0.877 6.834 1.00 0.00 C ATOM 30 NZ LYS A 2 20.185 0.814 7.032 1.00 0.00 N ATOM 0 H LYS A 2 19.529 -1.759 3.823 1.00 0.00 H new ATOM 0 HA LYS A 2 17.230 -2.091 4.001 1.00 0.00 H new ATOM 0 HB2 LYS A 2 17.697 0.842 3.557 1.00 0.00 H new ATOM 0 HB3 LYS A 2 16.043 0.285 3.402 1.00 0.00 H new ATOM 0 HG2 LYS A 2 16.504 0.929 5.753 1.00 0.00 H new ATOM 0 HG3 LYS A 2 16.174 -0.790 5.655 1.00 0.00 H new ATOM 0 HD2 LYS A 2 18.203 -1.212 6.605 1.00 0.00 H new ATOM 0 HD3 LYS A 2 18.987 -0.513 5.203 1.00 0.00 H new ATOM 0 HE2 LYS A 2 18.437 1.810 6.341 1.00 0.00 H new ATOM 0 HE3 LYS A 2 18.201 0.866 7.798 1.00 0.00 H new ATOM 0 HZ1 LYS A 2 20.493 1.624 7.607 1.00 0.00 H new ATOM 0 HZ2 LYS A 2 20.432 -0.071 7.519 1.00 0.00 H new ATOM 0 HZ3 LYS A 2 20.661 0.845 6.108 1.00 0.00 H new ATOM 44 N PRO A 3 15.640 -1.974 1.925 1.00 0.00 N ATOM 45 CA PRO A 3 14.535 -1.146 2.435 1.00 0.00 C ATOM 46 C PRO A 3 14.296 -1.384 3.927 1.00 0.00 C ATOM 47 O PRO A 3 14.807 -2.317 4.514 1.00 0.00 O ATOM 48 CB PRO A 3 13.328 -1.653 1.647 1.00 0.00 C ATOM 49 CG PRO A 3 13.675 -3.094 1.200 1.00 0.00 C ATOM 50 CD PRO A 3 15.201 -3.257 1.352 1.00 0.00 C ATOM 0 HA PRO A 3 14.733 -0.080 2.320 1.00 0.00 H new ATOM 0 HB2 PRO A 3 12.429 -1.643 2.263 1.00 0.00 H new ATOM 0 HB3 PRO A 3 13.131 -1.015 0.785 1.00 0.00 H new ATOM 0 HG2 PRO A 3 13.146 -3.825 1.811 1.00 0.00 H new ATOM 0 HG3 PRO A 3 13.370 -3.262 0.167 1.00 0.00 H new ATOM 0 HD2 PRO A 3 15.450 -4.093 2.006 1.00 0.00 H new ATOM 0 HD3 PRO A 3 15.680 -3.450 0.392 1.00 0.00 H new ATOM 58 N LYS A 4 13.486 -0.557 4.530 1.00 0.00 N ATOM 59 CA LYS A 4 13.157 -0.732 5.969 1.00 0.00 C ATOM 60 C LYS A 4 11.690 -0.358 6.163 1.00 0.00 C ATOM 61 O LYS A 4 11.372 0.703 6.662 1.00 0.00 O ATOM 62 CB LYS A 4 14.036 0.174 6.830 1.00 0.00 C ATOM 63 CG LYS A 4 14.762 -0.673 7.876 1.00 0.00 C ATOM 64 CD LYS A 4 15.945 0.113 8.441 1.00 0.00 C ATOM 65 CE LYS A 4 17.006 -0.863 8.953 1.00 0.00 C ATOM 66 NZ LYS A 4 16.482 -1.581 10.149 1.00 0.00 N ATOM 0 H LYS A 4 13.035 0.240 4.080 1.00 0.00 H new ATOM 0 HA LYS A 4 13.335 -1.765 6.269 1.00 0.00 H new ATOM 0 HB2 LYS A 4 14.758 0.699 6.205 1.00 0.00 H new ATOM 0 HB3 LYS A 4 13.426 0.933 7.320 1.00 0.00 H new ATOM 0 HG2 LYS A 4 14.076 -0.944 8.679 1.00 0.00 H new ATOM 0 HG3 LYS A 4 15.111 -1.603 7.427 1.00 0.00 H new ATOM 0 HD2 LYS A 4 16.369 0.757 7.671 1.00 0.00 H new ATOM 0 HD3 LYS A 4 15.611 0.762 9.251 1.00 0.00 H new ATOM 0 HE2 LYS A 4 17.266 -1.577 8.172 1.00 0.00 H new ATOM 0 HE3 LYS A 4 17.918 -0.324 9.209 1.00 0.00 H new ATOM 0 HZ1 LYS A 4 17.245 -2.143 10.579 1.00 0.00 H new ATOM 0 HZ2 LYS A 4 16.129 -0.890 10.841 1.00 0.00 H new ATOM 0 HZ3 LYS A 4 15.706 -2.212 9.863 1.00 0.00 H new ATOM 80 N ILE A 5 10.799 -1.218 5.743 1.00 0.00 N ATOM 81 CA ILE A 5 9.343 -0.928 5.869 1.00 0.00 C ATOM 82 C ILE A 5 8.868 -1.249 7.289 1.00 0.00 C ATOM 83 O ILE A 5 8.998 -2.360 7.764 1.00 0.00 O ATOM 84 CB ILE A 5 8.578 -1.771 4.835 1.00 0.00 C ATOM 85 CG1 ILE A 5 7.246 -1.095 4.503 1.00 0.00 C ATOM 86 CG2 ILE A 5 8.312 -3.176 5.382 1.00 0.00 C ATOM 87 CD1 ILE A 5 7.120 -0.936 2.986 1.00 0.00 C ATOM 0 H ILE A 5 11.022 -2.116 5.314 1.00 0.00 H new ATOM 0 HA ILE A 5 9.155 0.129 5.680 1.00 0.00 H new ATOM 0 HB ILE A 5 9.185 -1.851 3.933 1.00 0.00 H new ATOM 0 HG12 ILE A 5 6.418 -1.690 4.887 1.00 0.00 H new ATOM 0 HG13 ILE A 5 7.190 -0.120 4.988 1.00 0.00 H new ATOM 0 HG21 ILE A 5 7.770 -3.760 4.638 1.00 0.00 H new ATOM 0 HG22 ILE A 5 9.260 -3.665 5.606 1.00 0.00 H new ATOM 0 HG23 ILE A 5 7.716 -3.105 6.292 1.00 0.00 H new ATOM 0 HD11 ILE A 5 6.171 -0.455 2.748 1.00 0.00 H new ATOM 0 HD12 ILE A 5 7.941 -0.323 2.615 1.00 0.00 H new ATOM 0 HD13 ILE A 5 7.157 -1.917 2.513 1.00 0.00 H new ATOM 99 N LEU A 6 8.322 -0.278 7.971 1.00 0.00 N ATOM 100 CA LEU A 6 7.844 -0.517 9.360 1.00 0.00 C ATOM 101 C LEU A 6 6.321 -0.362 9.421 1.00 0.00 C ATOM 102 O LEU A 6 5.703 -0.687 10.414 1.00 0.00 O ATOM 103 CB LEU A 6 8.497 0.497 10.302 1.00 0.00 C ATOM 104 CG LEU A 6 9.607 -0.189 11.098 1.00 0.00 C ATOM 105 CD1 LEU A 6 10.743 -0.586 10.154 1.00 0.00 C ATOM 106 CD2 LEU A 6 10.141 0.775 12.160 1.00 0.00 C ATOM 0 H LEU A 6 8.187 0.672 7.624 1.00 0.00 H new ATOM 0 HA LEU A 6 8.113 -1.528 9.664 1.00 0.00 H new ATOM 0 HB2 LEU A 6 8.906 1.330 9.730 1.00 0.00 H new ATOM 0 HB3 LEU A 6 7.751 0.912 10.980 1.00 0.00 H new ATOM 0 HG LEU A 6 9.209 -1.081 11.582 1.00 0.00 H new ATOM 0 HD11 LEU A 6 11.534 -1.075 10.722 1.00 0.00 H new ATOM 0 HD12 LEU A 6 10.364 -1.272 9.396 1.00 0.00 H new ATOM 0 HD13 LEU A 6 11.142 0.305 9.670 1.00 0.00 H new ATOM 0 HD21 LEU A 6 10.933 0.287 12.729 1.00 0.00 H new ATOM 0 HD22 LEU A 6 10.539 1.667 11.675 1.00 0.00 H new ATOM 0 HD23 LEU A 6 9.332 1.059 12.834 1.00 0.00 H new ATOM 118 N THR A 7 5.716 0.137 8.370 1.00 0.00 N ATOM 119 CA THR A 7 4.230 0.316 8.369 1.00 0.00 C ATOM 120 C THR A 7 3.562 -0.858 9.093 1.00 0.00 C ATOM 121 O THR A 7 3.855 -2.008 8.833 1.00 0.00 O ATOM 122 CB THR A 7 3.724 0.373 6.926 1.00 0.00 C ATOM 123 OG1 THR A 7 2.305 0.455 6.928 1.00 0.00 O ATOM 124 CG2 THR A 7 4.163 -0.885 6.175 1.00 0.00 C ATOM 0 H THR A 7 6.187 0.428 7.513 1.00 0.00 H new ATOM 0 HA THR A 7 3.982 1.245 8.883 1.00 0.00 H new ATOM 0 HB THR A 7 4.140 1.250 6.430 1.00 0.00 H new ATOM 0 HG1 THR A 7 1.931 -0.327 6.471 1.00 0.00 H new ATOM 0 HG21 THR A 7 3.801 -0.841 5.148 1.00 0.00 H new ATOM 0 HG22 THR A 7 5.251 -0.947 6.174 1.00 0.00 H new ATOM 0 HG23 THR A 7 3.750 -1.765 6.668 1.00 0.00 H new ATOM 132 N ALA A 8 2.669 -0.575 10.003 1.00 0.00 N ATOM 133 CA ALA A 8 1.986 -1.673 10.747 1.00 0.00 C ATOM 134 C ALA A 8 1.421 -2.689 9.760 1.00 0.00 C ATOM 135 O ALA A 8 1.349 -3.869 10.034 1.00 0.00 O ATOM 136 CB ALA A 8 0.850 -1.090 11.590 1.00 0.00 C ATOM 0 H ALA A 8 2.383 0.369 10.263 1.00 0.00 H new ATOM 0 HA ALA A 8 2.705 -2.168 11.400 1.00 0.00 H new ATOM 0 HB1 ALA A 8 0.351 -1.893 12.133 1.00 0.00 H new ATOM 0 HB2 ALA A 8 1.256 -0.369 12.300 1.00 0.00 H new ATOM 0 HB3 ALA A 8 0.132 -0.592 10.938 1.00 0.00 H new ATOM 142 N SER A 9 1.025 -2.233 8.613 1.00 0.00 N ATOM 143 CA SER A 9 0.461 -3.157 7.588 1.00 0.00 C ATOM 144 C SER A 9 -0.518 -4.130 8.252 1.00 0.00 C ATOM 145 O SER A 9 -0.132 -5.153 8.782 1.00 0.00 O ATOM 146 CB SER A 9 1.600 -3.942 6.934 1.00 0.00 C ATOM 147 OG SER A 9 1.959 -5.036 7.768 1.00 0.00 O ATOM 0 H SER A 9 1.066 -1.253 8.334 1.00 0.00 H new ATOM 0 HA SER A 9 -0.068 -2.579 6.830 1.00 0.00 H new ATOM 0 HB2 SER A 9 1.291 -4.304 5.953 1.00 0.00 H new ATOM 0 HB3 SER A 9 2.461 -3.292 6.777 1.00 0.00 H new ATOM 0 HG SER A 9 1.497 -4.957 8.628 1.00 0.00 H new ATOM 153 N ARG A 10 -1.786 -3.820 8.227 1.00 0.00 N ATOM 154 CA ARG A 10 -2.786 -4.728 8.856 1.00 0.00 C ATOM 155 C ARG A 10 -4.069 -4.731 8.032 1.00 0.00 C ATOM 156 O ARG A 10 -4.329 -5.635 7.262 1.00 0.00 O ATOM 157 CB ARG A 10 -3.088 -4.250 10.279 1.00 0.00 C ATOM 158 CG ARG A 10 -2.887 -5.408 11.259 1.00 0.00 C ATOM 159 CD ARG A 10 -4.181 -5.642 12.041 1.00 0.00 C ATOM 160 NE ARG A 10 -3.864 -5.844 13.482 1.00 0.00 N ATOM 161 CZ ARG A 10 -4.801 -6.221 14.309 1.00 0.00 C ATOM 162 NH1 ARG A 10 -5.845 -5.462 14.502 1.00 0.00 N ATOM 163 NH2 ARG A 10 -4.695 -7.358 14.941 1.00 0.00 N ATOM 0 H ARG A 10 -2.172 -2.978 7.799 1.00 0.00 H new ATOM 0 HA ARG A 10 -2.382 -5.740 8.893 1.00 0.00 H new ATOM 0 HB2 ARG A 10 -2.433 -3.419 10.542 1.00 0.00 H new ATOM 0 HB3 ARG A 10 -4.112 -3.881 10.341 1.00 0.00 H new ATOM 0 HG2 ARG A 10 -2.607 -6.312 10.718 1.00 0.00 H new ATOM 0 HG3 ARG A 10 -2.071 -5.181 11.945 1.00 0.00 H new ATOM 0 HD2 ARG A 10 -4.849 -4.789 11.921 1.00 0.00 H new ATOM 0 HD3 ARG A 10 -4.703 -6.514 11.647 1.00 0.00 H new ATOM 0 HE ARG A 10 -2.915 -5.688 13.823 1.00 0.00 H new ATOM 0 HH11 ARG A 10 -5.929 -4.574 14.007 1.00 0.00 H new ATOM 0 HH12 ARG A 10 -6.577 -5.757 15.148 1.00 0.00 H new ATOM 0 HH21 ARG A 10 -3.880 -7.952 14.789 1.00 0.00 H new ATOM 0 HH22 ARG A 10 -5.427 -7.652 15.587 1.00 0.00 H new ATOM 177 N LYS A 11 -4.872 -3.726 8.191 1.00 0.00 N ATOM 178 CA LYS A 11 -6.147 -3.657 7.424 1.00 0.00 C ATOM 179 C LYS A 11 -6.534 -2.194 7.193 1.00 0.00 C ATOM 180 O LYS A 11 -5.815 -1.286 7.558 1.00 0.00 O ATOM 181 CB LYS A 11 -7.254 -4.362 8.210 1.00 0.00 C ATOM 182 CG LYS A 11 -7.084 -4.072 9.703 1.00 0.00 C ATOM 183 CD LYS A 11 -8.455 -4.067 10.381 1.00 0.00 C ATOM 184 CE LYS A 11 -8.320 -4.600 11.809 1.00 0.00 C ATOM 185 NZ LYS A 11 -8.638 -3.512 12.777 1.00 0.00 N ATOM 0 H LYS A 11 -4.704 -2.942 8.822 1.00 0.00 H new ATOM 0 HA LYS A 11 -6.015 -4.149 6.461 1.00 0.00 H new ATOM 0 HB2 LYS A 11 -8.231 -4.018 7.871 1.00 0.00 H new ATOM 0 HB3 LYS A 11 -7.214 -5.436 8.031 1.00 0.00 H new ATOM 0 HG2 LYS A 11 -6.443 -4.826 10.160 1.00 0.00 H new ATOM 0 HG3 LYS A 11 -6.593 -3.109 9.844 1.00 0.00 H new ATOM 0 HD2 LYS A 11 -8.862 -3.056 10.396 1.00 0.00 H new ATOM 0 HD3 LYS A 11 -9.154 -4.683 9.816 1.00 0.00 H new ATOM 0 HE2 LYS A 11 -8.994 -5.443 11.959 1.00 0.00 H new ATOM 0 HE3 LYS A 11 -7.308 -4.967 11.978 1.00 0.00 H new ATOM 0 HZ1 LYS A 11 -8.546 -3.873 13.748 1.00 0.00 H new ATOM 0 HZ2 LYS A 11 -7.978 -2.720 12.639 1.00 0.00 H new ATOM 0 HZ3 LYS A 11 -9.612 -3.182 12.621 1.00 0.00 H new ATOM 199 N ILE A 12 -7.668 -1.965 6.587 1.00 0.00 N ATOM 200 CA ILE A 12 -8.116 -0.570 6.319 1.00 0.00 C ATOM 201 C ILE A 12 -9.640 -0.554 6.194 1.00 0.00 C ATOM 202 O ILE A 12 -10.182 -0.682 5.114 1.00 0.00 O ATOM 203 CB ILE A 12 -7.493 -0.081 5.008 1.00 0.00 C ATOM 204 CG1 ILE A 12 -5.984 0.099 5.193 1.00 0.00 C ATOM 205 CG2 ILE A 12 -8.113 1.259 4.604 1.00 0.00 C ATOM 206 CD1 ILE A 12 -5.723 1.206 6.218 1.00 0.00 C ATOM 0 H ILE A 12 -8.307 -2.691 6.264 1.00 0.00 H new ATOM 0 HA ILE A 12 -7.805 0.083 7.134 1.00 0.00 H new ATOM 0 HB ILE A 12 -7.683 -0.818 4.228 1.00 0.00 H new ATOM 0 HG12 ILE A 12 -5.534 -0.835 5.529 1.00 0.00 H new ATOM 0 HG13 ILE A 12 -5.518 0.353 4.241 1.00 0.00 H new ATOM 0 HG21 ILE A 12 -7.665 1.601 3.671 1.00 0.00 H new ATOM 0 HG22 ILE A 12 -9.187 1.136 4.467 1.00 0.00 H new ATOM 0 HG23 ILE A 12 -7.929 1.996 5.386 1.00 0.00 H new ATOM 0 HD11 ILE A 12 -4.649 1.334 6.350 1.00 0.00 H new ATOM 0 HD12 ILE A 12 -6.159 2.140 5.864 1.00 0.00 H new ATOM 0 HD13 ILE A 12 -6.175 0.933 7.171 1.00 0.00 H new ATOM 218 N LYS A 13 -10.336 -0.400 7.286 1.00 0.00 N ATOM 219 CA LYS A 13 -11.824 -0.380 7.221 1.00 0.00 C ATOM 220 C LYS A 13 -12.285 0.915 6.548 1.00 0.00 C ATOM 221 O LYS A 13 -12.600 1.888 7.203 1.00 0.00 O ATOM 222 CB LYS A 13 -12.399 -0.455 8.637 1.00 0.00 C ATOM 223 CG LYS A 13 -13.158 -1.772 8.809 1.00 0.00 C ATOM 224 CD LYS A 13 -12.404 -2.673 9.788 1.00 0.00 C ATOM 225 CE LYS A 13 -13.303 -3.838 10.206 1.00 0.00 C ATOM 226 NZ LYS A 13 -13.117 -4.115 11.658 1.00 0.00 N ATOM 0 H LYS A 13 -9.940 -0.287 8.219 1.00 0.00 H new ATOM 0 HA LYS A 13 -12.175 -1.235 6.643 1.00 0.00 H new ATOM 0 HB2 LYS A 13 -11.596 -0.387 9.371 1.00 0.00 H new ATOM 0 HB3 LYS A 13 -13.067 0.388 8.815 1.00 0.00 H new ATOM 0 HG2 LYS A 13 -14.165 -1.578 9.179 1.00 0.00 H new ATOM 0 HG3 LYS A 13 -13.263 -2.272 7.846 1.00 0.00 H new ATOM 0 HD2 LYS A 13 -11.493 -3.051 9.323 1.00 0.00 H new ATOM 0 HD3 LYS A 13 -12.100 -2.101 10.665 1.00 0.00 H new ATOM 0 HE2 LYS A 13 -14.346 -3.597 10.002 1.00 0.00 H new ATOM 0 HE3 LYS A 13 -13.061 -4.726 9.622 1.00 0.00 H new ATOM 0 HZ1 LYS A 13 -13.728 -4.907 11.941 1.00 0.00 H new ATOM 0 HZ2 LYS A 13 -12.123 -4.362 11.840 1.00 0.00 H new ATOM 0 HZ3 LYS A 13 -13.369 -3.269 12.208 1.00 0.00 H new ATOM 240 N ILE A 14 -12.327 0.933 5.244 1.00 0.00 N ATOM 241 CA ILE A 14 -12.766 2.163 4.529 1.00 0.00 C ATOM 242 C ILE A 14 -14.285 2.127 4.339 1.00 0.00 C ATOM 243 O ILE A 14 -14.917 1.099 4.488 1.00 0.00 O ATOM 244 CB ILE A 14 -12.077 2.232 3.163 1.00 0.00 C ATOM 245 CG1 ILE A 14 -10.582 1.936 3.334 1.00 0.00 C ATOM 246 CG2 ILE A 14 -12.273 3.627 2.565 1.00 0.00 C ATOM 247 CD1 ILE A 14 -9.830 2.218 2.028 1.00 0.00 C ATOM 0 H ILE A 14 -12.076 0.148 4.643 1.00 0.00 H new ATOM 0 HA ILE A 14 -12.496 3.042 5.114 1.00 0.00 H new ATOM 0 HB ILE A 14 -12.513 1.493 2.491 1.00 0.00 H new ATOM 0 HG12 ILE A 14 -10.173 2.549 4.137 1.00 0.00 H new ATOM 0 HG13 ILE A 14 -10.442 0.895 3.625 1.00 0.00 H new ATOM 0 HG21 ILE A 14 -11.783 3.678 1.593 1.00 0.00 H new ATOM 0 HG22 ILE A 14 -13.338 3.825 2.446 1.00 0.00 H new ATOM 0 HG23 ILE A 14 -11.837 4.373 3.230 1.00 0.00 H new ATOM 0 HD11 ILE A 14 -8.770 2.003 2.165 1.00 0.00 H new ATOM 0 HD12 ILE A 14 -10.229 1.586 1.235 1.00 0.00 H new ATOM 0 HD13 ILE A 14 -9.956 3.266 1.755 1.00 0.00 H new ATOM 259 N LYS A 15 -14.879 3.241 4.011 1.00 0.00 N ATOM 260 CA LYS A 15 -16.355 3.266 3.811 1.00 0.00 C ATOM 261 C LYS A 15 -16.663 3.108 2.320 1.00 0.00 C ATOM 262 O LYS A 15 -15.784 3.193 1.485 1.00 0.00 O ATOM 263 CB LYS A 15 -16.914 4.596 4.321 1.00 0.00 C ATOM 264 CG LYS A 15 -17.712 4.357 5.605 1.00 0.00 C ATOM 265 CD LYS A 15 -19.209 4.386 5.291 1.00 0.00 C ATOM 266 CE LYS A 15 -20.002 4.469 6.597 1.00 0.00 C ATOM 267 NZ LYS A 15 -21.406 4.031 6.356 1.00 0.00 N ATOM 0 H LYS A 15 -14.407 4.134 3.873 1.00 0.00 H new ATOM 0 HA LYS A 15 -16.818 2.449 4.364 1.00 0.00 H new ATOM 0 HB2 LYS A 15 -16.100 5.295 4.511 1.00 0.00 H new ATOM 0 HB3 LYS A 15 -17.553 5.049 3.563 1.00 0.00 H new ATOM 0 HG2 LYS A 15 -17.440 3.396 6.041 1.00 0.00 H new ATOM 0 HG3 LYS A 15 -17.470 5.121 6.343 1.00 0.00 H new ATOM 0 HD2 LYS A 15 -19.442 5.241 4.657 1.00 0.00 H new ATOM 0 HD3 LYS A 15 -19.493 3.491 4.737 1.00 0.00 H new ATOM 0 HE2 LYS A 15 -19.539 3.839 7.356 1.00 0.00 H new ATOM 0 HE3 LYS A 15 -19.989 5.490 6.978 1.00 0.00 H new ATOM 0 HZ1 LYS A 15 -21.945 4.088 7.244 1.00 0.00 H new ATOM 0 HZ2 LYS A 15 -21.845 4.649 5.645 1.00 0.00 H new ATOM 0 HZ3 LYS A 15 -21.409 3.050 6.011 1.00 0.00 H new ATOM 281 N ALA A 16 -17.899 2.866 1.975 1.00 0.00 N ATOM 282 CA ALA A 16 -18.247 2.691 0.536 1.00 0.00 C ATOM 283 C ALA A 16 -18.246 4.051 -0.169 1.00 0.00 C ATOM 284 O ALA A 16 -18.571 5.060 0.417 1.00 0.00 O ATOM 285 CB ALA A 16 -19.633 2.058 0.416 1.00 0.00 C ATOM 0 H ALA A 16 -18.680 2.782 2.625 1.00 0.00 H new ATOM 0 HA ALA A 16 -17.508 2.041 0.067 1.00 0.00 H new ATOM 0 HB1 ALA A 16 -19.885 1.931 -0.637 1.00 0.00 H new ATOM 0 HB2 ALA A 16 -19.633 1.086 0.909 1.00 0.00 H new ATOM 0 HB3 ALA A 16 -20.371 2.705 0.890 1.00 0.00 H new ATOM 291 N GLY A 17 -17.889 4.079 -1.427 1.00 0.00 N ATOM 292 CA GLY A 17 -17.867 5.368 -2.179 1.00 0.00 C ATOM 293 C GLY A 17 -17.218 6.456 -1.323 1.00 0.00 C ATOM 294 O GLY A 17 -17.566 7.617 -1.411 1.00 0.00 O ATOM 0 H GLY A 17 -17.611 3.260 -1.968 1.00 0.00 H new ATOM 0 HA2 GLY A 17 -17.314 5.247 -3.110 1.00 0.00 H new ATOM 0 HA3 GLY A 17 -18.882 5.661 -2.447 1.00 0.00 H new ATOM 298 N PHE A 18 -16.285 6.092 -0.485 1.00 0.00 N ATOM 299 CA PHE A 18 -15.627 7.112 0.387 1.00 0.00 C ATOM 300 C PHE A 18 -14.190 7.366 -0.070 1.00 0.00 C ATOM 301 O PHE A 18 -13.721 6.804 -1.044 1.00 0.00 O ATOM 302 CB PHE A 18 -15.611 6.618 1.834 1.00 0.00 C ATOM 303 CG PHE A 18 -16.861 7.086 2.531 1.00 0.00 C ATOM 304 CD1 PHE A 18 -18.044 7.232 1.804 1.00 0.00 C ATOM 305 CD2 PHE A 18 -16.840 7.370 3.900 1.00 0.00 C ATOM 306 CE1 PHE A 18 -19.211 7.663 2.444 1.00 0.00 C ATOM 307 CE2 PHE A 18 -18.005 7.800 4.543 1.00 0.00 C ATOM 308 CZ PHE A 18 -19.192 7.947 3.815 1.00 0.00 C ATOM 0 H PHE A 18 -15.950 5.136 -0.365 1.00 0.00 H new ATOM 0 HA PHE A 18 -16.192 8.042 0.316 1.00 0.00 H new ATOM 0 HB2 PHE A 18 -15.552 5.530 1.859 1.00 0.00 H new ATOM 0 HB3 PHE A 18 -14.729 6.997 2.350 1.00 0.00 H new ATOM 0 HD1 PHE A 18 -18.058 7.012 0.747 1.00 0.00 H new ATOM 0 HD2 PHE A 18 -15.924 7.257 4.461 1.00 0.00 H new ATOM 0 HE1 PHE A 18 -20.126 7.777 1.881 1.00 0.00 H new ATOM 0 HE2 PHE A 18 -17.989 8.019 5.601 1.00 0.00 H new ATOM 0 HZ PHE A 18 -20.092 8.279 4.311 1.00 0.00 H new ATOM 318 N THR A 19 -13.489 8.216 0.637 1.00 0.00 N ATOM 319 CA THR A 19 -12.082 8.526 0.265 1.00 0.00 C ATOM 320 C THR A 19 -11.142 8.100 1.398 1.00 0.00 C ATOM 321 O THR A 19 -11.342 8.443 2.546 1.00 0.00 O ATOM 322 CB THR A 19 -11.941 10.031 0.023 1.00 0.00 C ATOM 323 OG1 THR A 19 -12.237 10.733 1.222 1.00 0.00 O ATOM 324 CG2 THR A 19 -12.912 10.465 -1.077 1.00 0.00 C ATOM 0 H THR A 19 -13.836 8.709 1.460 1.00 0.00 H new ATOM 0 HA THR A 19 -11.820 7.983 -0.643 1.00 0.00 H new ATOM 0 HB THR A 19 -10.920 10.255 -0.286 1.00 0.00 H new ATOM 0 HG1 THR A 19 -12.100 10.140 1.990 1.00 0.00 H new ATOM 0 HG21 THR A 19 -12.811 11.537 -1.249 1.00 0.00 H new ATOM 0 HG22 THR A 19 -12.684 9.927 -1.997 1.00 0.00 H new ATOM 0 HG23 THR A 19 -13.934 10.241 -0.770 1.00 0.00 H new ATOM 332 N HIS A 20 -10.122 7.348 1.082 1.00 0.00 N ATOM 333 CA HIS A 20 -9.170 6.891 2.141 1.00 0.00 C ATOM 334 C HIS A 20 -7.766 7.423 1.844 1.00 0.00 C ATOM 335 O HIS A 20 -7.394 7.623 0.704 1.00 0.00 O ATOM 336 CB HIS A 20 -9.120 5.364 2.142 1.00 0.00 C ATOM 337 CG HIS A 20 -9.018 4.836 3.540 1.00 0.00 C ATOM 338 ND1 HIS A 20 -10.089 4.853 4.415 1.00 0.00 N ATOM 339 CD2 HIS A 20 -7.989 4.226 4.211 1.00 0.00 C ATOM 340 CE1 HIS A 20 -9.691 4.261 5.553 1.00 0.00 C ATOM 341 NE2 HIS A 20 -8.416 3.864 5.486 1.00 0.00 N ATOM 0 H HIS A 20 -9.905 7.029 0.138 1.00 0.00 H new ATOM 0 HA HIS A 20 -9.507 7.263 3.109 1.00 0.00 H new ATOM 0 HB2 HIS A 20 -10.014 4.966 1.663 1.00 0.00 H new ATOM 0 HB3 HIS A 20 -8.266 5.023 1.557 1.00 0.00 H new ATOM 0 HD2 HIS A 20 -7.000 4.053 3.812 1.00 0.00 H new ATOM 0 HE1 HIS A 20 -10.324 4.122 6.417 1.00 0.00 H new ATOM 0 HE2 HIS A 20 -7.873 3.397 6.212 1.00 0.00 H new ATOM 349 N ASN A 21 -6.976 7.628 2.862 1.00 0.00 N ATOM 350 CA ASN A 21 -5.586 8.116 2.644 1.00 0.00 C ATOM 351 C ASN A 21 -4.618 7.067 3.192 1.00 0.00 C ATOM 352 O ASN A 21 -4.178 7.136 4.322 1.00 0.00 O ATOM 353 CB ASN A 21 -5.378 9.446 3.371 1.00 0.00 C ATOM 354 CG ASN A 21 -6.183 9.450 4.671 1.00 0.00 C ATOM 355 OD1 ASN A 21 -5.928 8.661 5.560 1.00 0.00 O ATOM 356 ND2 ASN A 21 -7.153 10.310 4.822 1.00 0.00 N ATOM 0 H ASN A 21 -7.234 7.478 3.837 1.00 0.00 H new ATOM 0 HA ASN A 21 -5.408 8.273 1.580 1.00 0.00 H new ATOM 0 HB2 ASN A 21 -4.320 9.593 3.586 1.00 0.00 H new ATOM 0 HB3 ASN A 21 -5.692 10.273 2.734 1.00 0.00 H new ATOM 0 HD21 ASN A 21 -7.696 10.320 5.685 1.00 0.00 H new ATOM 0 HD22 ASN A 21 -7.368 10.972 4.077 1.00 0.00 H new ATOM 363 N LEU A 22 -4.305 6.085 2.396 1.00 0.00 N ATOM 364 CA LEU A 22 -3.389 5.001 2.848 1.00 0.00 C ATOM 365 C LEU A 22 -1.979 5.553 3.068 1.00 0.00 C ATOM 366 O LEU A 22 -1.460 6.298 2.259 1.00 0.00 O ATOM 367 CB LEU A 22 -3.354 3.926 1.767 1.00 0.00 C ATOM 368 CG LEU A 22 -2.548 2.718 2.245 1.00 0.00 C ATOM 369 CD1 LEU A 22 -3.087 1.463 1.562 1.00 0.00 C ATOM 370 CD2 LEU A 22 -1.073 2.892 1.874 1.00 0.00 C ATOM 0 H LEU A 22 -4.648 5.985 1.441 1.00 0.00 H new ATOM 0 HA LEU A 22 -3.746 4.585 3.790 1.00 0.00 H new ATOM 0 HB2 LEU A 22 -4.370 3.618 1.518 1.00 0.00 H new ATOM 0 HB3 LEU A 22 -2.911 4.330 0.857 1.00 0.00 H new ATOM 0 HG LEU A 22 -2.638 2.629 3.328 1.00 0.00 H new ATOM 0 HD11 LEU A 22 -2.519 0.595 1.896 1.00 0.00 H new ATOM 0 HD12 LEU A 22 -4.138 1.331 1.821 1.00 0.00 H new ATOM 0 HD13 LEU A 22 -2.990 1.567 0.481 1.00 0.00 H new ATOM 0 HD21 LEU A 22 -0.507 2.027 2.218 1.00 0.00 H new ATOM 0 HD22 LEU A 22 -0.978 2.980 0.792 1.00 0.00 H new ATOM 0 HD23 LEU A 22 -0.683 3.793 2.347 1.00 0.00 H new ATOM 382 N GLU A 23 -1.352 5.178 4.152 1.00 0.00 N ATOM 383 CA GLU A 23 0.029 5.666 4.430 1.00 0.00 C ATOM 384 C GLU A 23 0.934 4.478 4.776 1.00 0.00 C ATOM 385 O GLU A 23 0.483 3.464 5.272 1.00 0.00 O ATOM 386 CB GLU A 23 -0.004 6.640 5.609 1.00 0.00 C ATOM 387 CG GLU A 23 0.964 7.795 5.347 1.00 0.00 C ATOM 388 CD GLU A 23 0.286 9.119 5.702 1.00 0.00 C ATOM 389 OE1 GLU A 23 0.025 9.333 6.874 1.00 0.00 O ATOM 390 OE2 GLU A 23 0.038 9.897 4.795 1.00 0.00 O ATOM 0 H GLU A 23 -1.739 4.553 4.859 1.00 0.00 H new ATOM 0 HA GLU A 23 0.419 6.173 3.547 1.00 0.00 H new ATOM 0 HB2 GLU A 23 -1.015 7.024 5.749 1.00 0.00 H new ATOM 0 HB3 GLU A 23 0.271 6.123 6.529 1.00 0.00 H new ATOM 0 HG2 GLU A 23 1.869 7.667 5.941 1.00 0.00 H new ATOM 0 HG3 GLU A 23 1.268 7.799 4.300 1.00 0.00 H new ATOM 397 N VAL A 24 2.210 4.597 4.519 1.00 0.00 N ATOM 398 CA VAL A 24 3.152 3.482 4.833 1.00 0.00 C ATOM 399 C VAL A 24 4.577 4.036 4.905 1.00 0.00 C ATOM 400 O VAL A 24 4.950 4.899 4.140 1.00 0.00 O ATOM 401 CB VAL A 24 3.067 2.416 3.732 1.00 0.00 C ATOM 402 CG1 VAL A 24 4.322 1.537 3.748 1.00 0.00 C ATOM 403 CG2 VAL A 24 1.842 1.537 3.971 1.00 0.00 C ATOM 0 H VAL A 24 2.642 5.422 4.103 1.00 0.00 H new ATOM 0 HA VAL A 24 2.886 3.032 5.790 1.00 0.00 H new ATOM 0 HB VAL A 24 2.988 2.913 2.765 1.00 0.00 H new ATOM 0 HG11 VAL A 24 4.249 0.785 2.962 1.00 0.00 H new ATOM 0 HG12 VAL A 24 5.202 2.157 3.577 1.00 0.00 H new ATOM 0 HG13 VAL A 24 4.408 1.043 4.716 1.00 0.00 H new ATOM 0 HG21 VAL A 24 1.780 0.779 3.190 1.00 0.00 H new ATOM 0 HG22 VAL A 24 1.927 1.050 4.943 1.00 0.00 H new ATOM 0 HG23 VAL A 24 0.943 2.153 3.951 1.00 0.00 H new ATOM 413 N ASP A 25 5.375 3.546 5.815 1.00 0.00 N ATOM 414 CA ASP A 25 6.774 4.050 5.926 1.00 0.00 C ATOM 415 C ASP A 25 7.759 2.930 5.594 1.00 0.00 C ATOM 416 O ASP A 25 7.598 1.805 6.025 1.00 0.00 O ATOM 417 CB ASP A 25 7.026 4.545 7.352 1.00 0.00 C ATOM 418 CG ASP A 25 5.981 5.600 7.719 1.00 0.00 C ATOM 419 OD1 ASP A 25 4.895 5.546 7.167 1.00 0.00 O ATOM 420 OD2 ASP A 25 6.286 6.445 8.545 1.00 0.00 O ATOM 0 H ASP A 25 5.120 2.820 6.485 1.00 0.00 H new ATOM 0 HA ASP A 25 6.916 4.871 5.223 1.00 0.00 H new ATOM 0 HB2 ASP A 25 6.977 3.711 8.052 1.00 0.00 H new ATOM 0 HB3 ASP A 25 8.028 4.968 7.430 1.00 0.00 H new ATOM 425 N PHE A 26 8.786 3.224 4.839 1.00 0.00 N ATOM 426 CA PHE A 26 9.775 2.161 4.504 1.00 0.00 C ATOM 427 C PHE A 26 11.014 2.779 3.854 1.00 0.00 C ATOM 428 O PHE A 26 10.941 3.403 2.816 1.00 0.00 O ATOM 429 CB PHE A 26 9.129 1.122 3.575 1.00 0.00 C ATOM 430 CG PHE A 26 9.238 1.541 2.127 1.00 0.00 C ATOM 431 CD1 PHE A 26 10.423 1.315 1.416 1.00 0.00 C ATOM 432 CD2 PHE A 26 8.144 2.141 1.493 1.00 0.00 C ATOM 433 CE1 PHE A 26 10.514 1.695 0.071 1.00 0.00 C ATOM 434 CE2 PHE A 26 8.235 2.518 0.149 1.00 0.00 C ATOM 435 CZ PHE A 26 9.419 2.296 -0.562 1.00 0.00 C ATOM 0 H PHE A 26 8.980 4.144 4.444 1.00 0.00 H new ATOM 0 HA PHE A 26 10.087 1.659 5.420 1.00 0.00 H new ATOM 0 HB2 PHE A 26 9.613 0.155 3.714 1.00 0.00 H new ATOM 0 HB3 PHE A 26 8.080 0.994 3.841 1.00 0.00 H new ATOM 0 HD1 PHE A 26 11.266 0.848 1.904 1.00 0.00 H new ATOM 0 HD2 PHE A 26 7.230 2.313 2.041 1.00 0.00 H new ATOM 0 HE1 PHE A 26 11.428 1.525 -0.478 1.00 0.00 H new ATOM 0 HE2 PHE A 26 7.391 2.981 -0.340 1.00 0.00 H new ATOM 0 HZ PHE A 26 9.489 2.588 -1.599 1.00 0.00 H new ATOM 445 N ILE A 27 12.154 2.607 4.467 1.00 0.00 N ATOM 446 CA ILE A 27 13.406 3.188 3.897 1.00 0.00 C ATOM 447 C ILE A 27 13.936 2.281 2.786 1.00 0.00 C ATOM 448 O ILE A 27 13.266 1.367 2.348 1.00 0.00 O ATOM 449 CB ILE A 27 14.461 3.314 5.001 1.00 0.00 C ATOM 450 CG1 ILE A 27 13.775 3.570 6.348 1.00 0.00 C ATOM 451 CG2 ILE A 27 15.398 4.481 4.682 1.00 0.00 C ATOM 452 CD1 ILE A 27 12.654 4.596 6.174 1.00 0.00 C ATOM 0 H ILE A 27 12.274 2.090 5.338 1.00 0.00 H new ATOM 0 HA ILE A 27 13.190 4.174 3.485 1.00 0.00 H new ATOM 0 HB ILE A 27 15.033 2.388 5.056 1.00 0.00 H new ATOM 0 HG12 ILE A 27 13.369 2.638 6.742 1.00 0.00 H new ATOM 0 HG13 ILE A 27 14.503 3.933 7.074 1.00 0.00 H new ATOM 0 HG21 ILE A 27 16.148 4.570 5.468 1.00 0.00 H new ATOM 0 HG22 ILE A 27 15.892 4.301 3.727 1.00 0.00 H new ATOM 0 HG23 ILE A 27 14.822 5.405 4.624 1.00 0.00 H new ATOM 0 HD11 ILE A 27 12.171 4.773 7.135 1.00 0.00 H new ATOM 0 HD12 ILE A 27 13.071 5.531 5.800 1.00 0.00 H new ATOM 0 HD13 ILE A 27 11.920 4.216 5.463 1.00 0.00 H new ATOM 464 N GLY A 28 15.134 2.531 2.329 1.00 0.00 N ATOM 465 CA GLY A 28 15.715 1.686 1.247 1.00 0.00 C ATOM 466 C GLY A 28 16.381 2.573 0.198 1.00 0.00 C ATOM 467 O GLY A 28 15.722 3.215 -0.594 1.00 0.00 O ATOM 0 H GLY A 28 15.736 3.285 2.659 1.00 0.00 H new ATOM 0 HA2 GLY A 28 16.444 0.993 1.666 1.00 0.00 H new ATOM 0 HA3 GLY A 28 14.933 1.084 0.784 1.00 0.00 H new ATOM 471 N ALA A 29 17.684 2.614 0.176 1.00 0.00 N ATOM 472 CA ALA A 29 18.371 3.462 -0.835 1.00 0.00 C ATOM 473 C ALA A 29 19.574 2.706 -1.409 1.00 0.00 C ATOM 474 O ALA A 29 19.969 1.682 -0.888 1.00 0.00 O ATOM 475 CB ALA A 29 18.835 4.765 -0.183 1.00 0.00 C ATOM 0 H ALA A 29 18.298 2.101 0.809 1.00 0.00 H new ATOM 0 HA ALA A 29 17.678 3.696 -1.643 1.00 0.00 H new ATOM 0 HB1 ALA A 29 19.338 5.384 -0.926 1.00 0.00 H new ATOM 0 HB2 ALA A 29 17.972 5.301 0.213 1.00 0.00 H new ATOM 0 HB3 ALA A 29 19.526 4.539 0.629 1.00 0.00 H new ATOM 481 N PRO A 30 20.106 3.230 -2.484 1.00 0.00 N ATOM 482 CA PRO A 30 19.611 4.474 -3.101 1.00 0.00 C ATOM 483 C PRO A 30 18.301 4.227 -3.849 1.00 0.00 C ATOM 484 O PRO A 30 18.090 3.188 -4.440 1.00 0.00 O ATOM 485 CB PRO A 30 20.724 4.869 -4.070 1.00 0.00 C ATOM 486 CG PRO A 30 21.504 3.574 -4.373 1.00 0.00 C ATOM 487 CD PRO A 30 21.247 2.620 -3.192 1.00 0.00 C ATOM 0 HA PRO A 30 19.395 5.251 -2.368 1.00 0.00 H new ATOM 0 HB2 PRO A 30 20.312 5.299 -4.983 1.00 0.00 H new ATOM 0 HB3 PRO A 30 21.376 5.623 -3.629 1.00 0.00 H new ATOM 0 HG2 PRO A 30 21.169 3.130 -5.310 1.00 0.00 H new ATOM 0 HG3 PRO A 30 22.569 3.779 -4.481 1.00 0.00 H new ATOM 0 HD2 PRO A 30 21.011 1.613 -3.536 1.00 0.00 H new ATOM 0 HD3 PRO A 30 22.121 2.540 -2.546 1.00 0.00 H new ATOM 495 N ASP A 31 17.436 5.199 -3.822 1.00 0.00 N ATOM 496 CA ASP A 31 16.117 5.097 -4.518 1.00 0.00 C ATOM 497 C ASP A 31 15.598 3.651 -4.522 1.00 0.00 C ATOM 498 O ASP A 31 15.976 2.863 -5.366 1.00 0.00 O ATOM 499 CB ASP A 31 16.272 5.580 -5.961 1.00 0.00 C ATOM 500 CG ASP A 31 15.276 6.709 -6.231 1.00 0.00 C ATOM 501 OD1 ASP A 31 14.086 6.456 -6.147 1.00 0.00 O ATOM 502 OD2 ASP A 31 15.721 7.809 -6.517 1.00 0.00 O ATOM 0 H ASP A 31 17.588 6.083 -3.336 1.00 0.00 H new ATOM 0 HA ASP A 31 15.398 5.717 -3.983 1.00 0.00 H new ATOM 0 HB2 ASP A 31 17.290 5.930 -6.131 1.00 0.00 H new ATOM 0 HB3 ASP A 31 16.099 4.755 -6.652 1.00 0.00 H new ATOM 507 N PRO A 32 14.732 3.351 -3.584 1.00 0.00 N ATOM 508 CA PRO A 32 14.123 2.013 -3.459 1.00 0.00 C ATOM 509 C PRO A 32 12.973 1.867 -4.460 1.00 0.00 C ATOM 510 O PRO A 32 12.799 2.684 -5.342 1.00 0.00 O ATOM 511 CB PRO A 32 13.582 1.999 -2.028 1.00 0.00 C ATOM 512 CG PRO A 32 13.383 3.480 -1.629 1.00 0.00 C ATOM 513 CD PRO A 32 14.284 4.315 -2.559 1.00 0.00 C ATOM 0 HA PRO A 32 14.823 1.201 -3.658 1.00 0.00 H new ATOM 0 HB2 PRO A 32 12.641 1.451 -1.972 1.00 0.00 H new ATOM 0 HB3 PRO A 32 14.280 1.504 -1.353 1.00 0.00 H new ATOM 0 HG2 PRO A 32 12.339 3.773 -1.737 1.00 0.00 H new ATOM 0 HG3 PRO A 32 13.652 3.639 -0.585 1.00 0.00 H new ATOM 0 HD2 PRO A 32 13.737 5.146 -3.005 1.00 0.00 H new ATOM 0 HD3 PRO A 32 15.128 4.743 -2.018 1.00 0.00 H new ATOM 521 N THR A 33 12.179 0.840 -4.323 1.00 0.00 N ATOM 522 CA THR A 33 11.033 0.657 -5.261 1.00 0.00 C ATOM 523 C THR A 33 9.873 -0.025 -4.530 1.00 0.00 C ATOM 524 O THR A 33 9.955 -1.175 -4.155 1.00 0.00 O ATOM 525 CB THR A 33 11.465 -0.212 -6.442 1.00 0.00 C ATOM 526 OG1 THR A 33 12.441 0.481 -7.208 1.00 0.00 O ATOM 527 CG2 THR A 33 10.246 -0.514 -7.314 1.00 0.00 C ATOM 0 H THR A 33 12.273 0.122 -3.605 1.00 0.00 H new ATOM 0 HA THR A 33 10.712 1.633 -5.626 1.00 0.00 H new ATOM 0 HB THR A 33 11.892 -1.145 -6.076 1.00 0.00 H new ATOM 0 HG1 THR A 33 12.719 -0.076 -7.964 1.00 0.00 H new ATOM 0 HG21 THR A 33 10.547 -1.134 -8.159 1.00 0.00 H new ATOM 0 HG22 THR A 33 9.499 -1.044 -6.724 1.00 0.00 H new ATOM 0 HG23 THR A 33 9.822 0.420 -7.682 1.00 0.00 H new ATOM 535 N ALA A 34 8.790 0.674 -4.331 1.00 0.00 N ATOM 536 CA ALA A 34 7.628 0.061 -3.627 1.00 0.00 C ATOM 537 C ALA A 34 6.520 -0.243 -4.637 1.00 0.00 C ATOM 538 O ALA A 34 6.230 0.550 -5.510 1.00 0.00 O ATOM 539 CB ALA A 34 7.105 1.027 -2.561 1.00 0.00 C ATOM 0 H ALA A 34 8.659 1.642 -4.625 1.00 0.00 H new ATOM 0 HA ALA A 34 7.943 -0.866 -3.148 1.00 0.00 H new ATOM 0 HB1 ALA A 34 6.255 0.577 -2.047 1.00 0.00 H new ATOM 0 HB2 ALA A 34 7.895 1.236 -1.840 1.00 0.00 H new ATOM 0 HB3 ALA A 34 6.791 1.957 -3.035 1.00 0.00 H new ATOM 545 N THR A 35 5.902 -1.389 -4.529 1.00 0.00 N ATOM 546 CA THR A 35 4.819 -1.741 -5.490 1.00 0.00 C ATOM 547 C THR A 35 3.498 -1.938 -4.742 1.00 0.00 C ATOM 548 O THR A 35 3.368 -2.811 -3.908 1.00 0.00 O ATOM 549 CB THR A 35 5.186 -3.037 -6.217 1.00 0.00 C ATOM 550 OG1 THR A 35 6.464 -2.894 -6.820 1.00 0.00 O ATOM 551 CG2 THR A 35 4.140 -3.334 -7.293 1.00 0.00 C ATOM 0 H THR A 35 6.100 -2.094 -3.819 1.00 0.00 H new ATOM 0 HA THR A 35 4.706 -0.932 -6.211 1.00 0.00 H new ATOM 0 HB THR A 35 5.212 -3.860 -5.503 1.00 0.00 H new ATOM 0 HG1 THR A 35 6.701 -3.724 -7.284 1.00 0.00 H new ATOM 0 HG21 THR A 35 4.402 -4.257 -7.810 1.00 0.00 H new ATOM 0 HG22 THR A 35 3.161 -3.444 -6.828 1.00 0.00 H new ATOM 0 HG23 THR A 35 4.111 -2.513 -8.009 1.00 0.00 H new ATOM 559 N TRP A 36 2.515 -1.135 -5.044 1.00 0.00 N ATOM 560 CA TRP A 36 1.196 -1.272 -4.365 1.00 0.00 C ATOM 561 C TRP A 36 0.348 -2.302 -5.126 1.00 0.00 C ATOM 562 O TRP A 36 -0.365 -1.977 -6.062 1.00 0.00 O ATOM 563 CB TRP A 36 0.498 0.088 -4.357 1.00 0.00 C ATOM 564 CG TRP A 36 0.987 0.892 -3.191 1.00 0.00 C ATOM 565 CD1 TRP A 36 1.779 1.990 -3.272 1.00 0.00 C ATOM 566 CD2 TRP A 36 0.736 0.678 -1.772 1.00 0.00 C ATOM 567 NE1 TRP A 36 2.012 2.467 -1.996 1.00 0.00 N ATOM 568 CE2 TRP A 36 1.392 1.694 -1.039 1.00 0.00 C ATOM 569 CE3 TRP A 36 0.006 -0.286 -1.058 1.00 0.00 C ATOM 570 CZ2 TRP A 36 1.324 1.750 0.353 1.00 0.00 C ATOM 571 CZ3 TRP A 36 -0.061 -0.232 0.342 1.00 0.00 C ATOM 572 CH2 TRP A 36 0.594 0.784 1.045 1.00 0.00 C ATOM 0 H TRP A 36 2.569 -0.387 -5.735 1.00 0.00 H new ATOM 0 HA TRP A 36 1.330 -1.610 -3.337 1.00 0.00 H new ATOM 0 HB2 TRP A 36 0.699 0.618 -5.288 1.00 0.00 H new ATOM 0 HB3 TRP A 36 -0.582 -0.046 -4.293 1.00 0.00 H new ATOM 0 HD1 TRP A 36 2.164 2.421 -4.184 1.00 0.00 H new ATOM 0 HE1 TRP A 36 2.575 3.292 -1.788 1.00 0.00 H new ATOM 0 HE3 TRP A 36 -0.507 -1.074 -1.590 1.00 0.00 H new ATOM 0 HZ2 TRP A 36 1.833 2.536 0.891 1.00 0.00 H new ATOM 0 HZ3 TRP A 36 -0.623 -0.981 0.881 1.00 0.00 H new ATOM 0 HH2 TRP A 36 0.535 0.821 2.123 1.00 0.00 H new ATOM 583 N THR A 37 0.423 -3.548 -4.739 1.00 0.00 N ATOM 584 CA THR A 37 -0.368 -4.589 -5.452 1.00 0.00 C ATOM 585 C THR A 37 -1.473 -5.113 -4.543 1.00 0.00 C ATOM 586 O THR A 37 -1.411 -4.986 -3.342 1.00 0.00 O ATOM 587 CB THR A 37 0.549 -5.752 -5.837 1.00 0.00 C ATOM 588 OG1 THR A 37 1.706 -5.733 -5.013 1.00 0.00 O ATOM 589 CG2 THR A 37 0.963 -5.626 -7.304 1.00 0.00 C ATOM 0 H THR A 37 0.994 -3.887 -3.965 1.00 0.00 H new ATOM 0 HA THR A 37 -0.808 -4.149 -6.347 1.00 0.00 H new ATOM 0 HB THR A 37 0.015 -6.692 -5.697 1.00 0.00 H new ATOM 0 HG1 THR A 37 1.437 -5.678 -4.072 1.00 0.00 H new ATOM 0 HG21 THR A 37 1.616 -6.457 -7.571 1.00 0.00 H new ATOM 0 HG22 THR A 37 0.075 -5.645 -7.936 1.00 0.00 H new ATOM 0 HG23 THR A 37 1.494 -4.686 -7.453 1.00 0.00 H new ATOM 597 N VAL A 38 -2.480 -5.709 -5.114 1.00 0.00 N ATOM 598 CA VAL A 38 -3.593 -6.258 -4.292 1.00 0.00 C ATOM 599 C VAL A 38 -3.518 -7.789 -4.325 1.00 0.00 C ATOM 600 O VAL A 38 -2.658 -8.359 -4.966 1.00 0.00 O ATOM 601 CB VAL A 38 -4.926 -5.785 -4.879 1.00 0.00 C ATOM 602 CG1 VAL A 38 -5.217 -6.558 -6.164 1.00 0.00 C ATOM 603 CG2 VAL A 38 -6.052 -6.033 -3.873 1.00 0.00 C ATOM 0 H VAL A 38 -2.581 -5.840 -6.120 1.00 0.00 H new ATOM 0 HA VAL A 38 -3.513 -5.912 -3.261 1.00 0.00 H new ATOM 0 HB VAL A 38 -4.865 -4.719 -5.097 1.00 0.00 H new ATOM 0 HG11 VAL A 38 -6.166 -6.223 -6.583 1.00 0.00 H new ATOM 0 HG12 VAL A 38 -4.419 -6.380 -6.884 1.00 0.00 H new ATOM 0 HG13 VAL A 38 -5.275 -7.624 -5.942 1.00 0.00 H new ATOM 0 HG21 VAL A 38 -6.998 -5.695 -4.295 1.00 0.00 H new ATOM 0 HG22 VAL A 38 -6.114 -7.098 -3.651 1.00 0.00 H new ATOM 0 HG23 VAL A 38 -5.847 -5.483 -2.955 1.00 0.00 H new ATOM 613 N GLY A 39 -4.405 -8.463 -3.645 1.00 0.00 N ATOM 614 CA GLY A 39 -4.370 -9.953 -3.655 1.00 0.00 C ATOM 615 C GLY A 39 -3.382 -10.453 -2.602 1.00 0.00 C ATOM 616 O GLY A 39 -3.275 -9.903 -1.524 1.00 0.00 O ATOM 0 H GLY A 39 -5.150 -8.048 -3.085 1.00 0.00 H new ATOM 0 HA2 GLY A 39 -5.364 -10.351 -3.452 1.00 0.00 H new ATOM 0 HA3 GLY A 39 -4.078 -10.313 -4.642 1.00 0.00 H new ATOM 620 N ASP A 40 -2.658 -11.495 -2.906 1.00 0.00 N ATOM 621 CA ASP A 40 -1.678 -12.032 -1.922 1.00 0.00 C ATOM 622 C ASP A 40 -0.259 -11.884 -2.476 1.00 0.00 C ATOM 623 O ASP A 40 0.707 -11.891 -1.739 1.00 0.00 O ATOM 624 CB ASP A 40 -1.972 -13.512 -1.665 1.00 0.00 C ATOM 625 CG ASP A 40 -1.638 -14.324 -2.917 1.00 0.00 C ATOM 626 OD1 ASP A 40 -2.316 -14.143 -3.915 1.00 0.00 O ATOM 627 OD2 ASP A 40 -0.711 -15.115 -2.856 1.00 0.00 O ATOM 0 H ASP A 40 -2.703 -11.997 -3.793 1.00 0.00 H new ATOM 0 HA ASP A 40 -1.762 -11.476 -0.988 1.00 0.00 H new ATOM 0 HB2 ASP A 40 -1.384 -13.869 -0.820 1.00 0.00 H new ATOM 0 HB3 ASP A 40 -3.021 -13.645 -1.402 1.00 0.00 H new ATOM 632 N SER A 41 -0.122 -11.754 -3.768 1.00 0.00 N ATOM 633 CA SER A 41 1.234 -11.610 -4.355 1.00 0.00 C ATOM 634 C SER A 41 1.171 -11.830 -5.868 1.00 0.00 C ATOM 635 O SER A 41 1.628 -12.834 -6.377 1.00 0.00 O ATOM 636 CB SER A 41 2.155 -12.651 -3.728 1.00 0.00 C ATOM 637 OG SER A 41 3.208 -12.955 -4.633 1.00 0.00 O ATOM 0 H SER A 41 -0.891 -11.742 -4.438 1.00 0.00 H new ATOM 0 HA SER A 41 1.614 -10.608 -4.157 1.00 0.00 H new ATOM 0 HB2 SER A 41 2.564 -12.274 -2.791 1.00 0.00 H new ATOM 0 HB3 SER A 41 1.593 -13.554 -3.490 1.00 0.00 H new ATOM 0 HG SER A 41 2.838 -13.385 -5.432 1.00 0.00 H new ATOM 643 N GLY A 42 0.611 -10.901 -6.591 1.00 0.00 N ATOM 644 CA GLY A 42 0.524 -11.061 -8.070 1.00 0.00 C ATOM 645 C GLY A 42 -0.489 -10.063 -8.633 1.00 0.00 C ATOM 646 O GLY A 42 -0.335 -9.557 -9.727 1.00 0.00 O ATOM 0 H GLY A 42 0.210 -10.038 -6.223 1.00 0.00 H new ATOM 0 HA2 GLY A 42 1.502 -10.897 -8.522 1.00 0.00 H new ATOM 0 HA3 GLY A 42 0.224 -12.079 -8.319 1.00 0.00 H new ATOM 650 N ALA A 43 -1.524 -9.778 -7.895 1.00 0.00 N ATOM 651 CA ALA A 43 -2.544 -8.820 -8.379 1.00 0.00 C ATOM 652 C ALA A 43 -2.056 -7.393 -8.137 1.00 0.00 C ATOM 653 O ALA A 43 -1.324 -7.131 -7.208 1.00 0.00 O ATOM 654 CB ALA A 43 -3.856 -9.045 -7.628 1.00 0.00 C ATOM 0 H ALA A 43 -1.705 -10.172 -6.972 1.00 0.00 H new ATOM 0 HA ALA A 43 -2.708 -8.973 -9.446 1.00 0.00 H new ATOM 0 HB1 ALA A 43 -4.606 -8.339 -7.986 1.00 0.00 H new ATOM 0 HB2 ALA A 43 -4.205 -10.063 -7.801 1.00 0.00 H new ATOM 0 HB3 ALA A 43 -3.695 -8.894 -6.561 1.00 0.00 H new ATOM 660 N ALA A 44 -2.458 -6.468 -8.961 1.00 0.00 N ATOM 661 CA ALA A 44 -2.014 -5.058 -8.768 1.00 0.00 C ATOM 662 C ALA A 44 -3.150 -4.254 -8.139 1.00 0.00 C ATOM 663 O ALA A 44 -4.311 -4.567 -8.313 1.00 0.00 O ATOM 664 CB ALA A 44 -1.642 -4.446 -10.119 1.00 0.00 C ATOM 0 H ALA A 44 -3.074 -6.625 -9.759 1.00 0.00 H new ATOM 0 HA ALA A 44 -1.143 -5.037 -8.112 1.00 0.00 H new ATOM 0 HB1 ALA A 44 -1.318 -3.415 -9.975 1.00 0.00 H new ATOM 0 HB2 ALA A 44 -0.833 -5.021 -10.569 1.00 0.00 H new ATOM 0 HB3 ALA A 44 -2.510 -4.464 -10.778 1.00 0.00 H new ATOM 670 N LEU A 45 -2.833 -3.220 -7.407 1.00 0.00 N ATOM 671 CA LEU A 45 -3.912 -2.413 -6.776 1.00 0.00 C ATOM 672 C LEU A 45 -4.958 -2.041 -7.832 1.00 0.00 C ATOM 673 O LEU A 45 -4.729 -2.174 -9.018 1.00 0.00 O ATOM 674 CB LEU A 45 -3.311 -1.149 -6.170 1.00 0.00 C ATOM 675 CG LEU A 45 -3.523 -1.173 -4.658 1.00 0.00 C ATOM 676 CD1 LEU A 45 -2.674 -2.284 -4.041 1.00 0.00 C ATOM 677 CD2 LEU A 45 -3.112 0.172 -4.064 1.00 0.00 C ATOM 0 H LEU A 45 -1.882 -2.903 -7.221 1.00 0.00 H new ATOM 0 HA LEU A 45 -4.392 -2.995 -5.989 1.00 0.00 H new ATOM 0 HB2 LEU A 45 -2.247 -1.090 -6.400 1.00 0.00 H new ATOM 0 HB3 LEU A 45 -3.780 -0.265 -6.602 1.00 0.00 H new ATOM 0 HG LEU A 45 -4.575 -1.358 -4.442 1.00 0.00 H new ATOM 0 HD11 LEU A 45 -2.825 -2.301 -2.962 1.00 0.00 H new ATOM 0 HD12 LEU A 45 -2.969 -3.244 -4.464 1.00 0.00 H new ATOM 0 HD13 LEU A 45 -1.622 -2.100 -4.257 1.00 0.00 H new ATOM 0 HD21 LEU A 45 -3.263 0.155 -2.985 1.00 0.00 H new ATOM 0 HD22 LEU A 45 -2.060 0.359 -4.280 1.00 0.00 H new ATOM 0 HD23 LEU A 45 -3.719 0.964 -4.503 1.00 0.00 H new ATOM 689 N ALA A 46 -6.108 -1.586 -7.411 1.00 0.00 N ATOM 690 CA ALA A 46 -7.170 -1.218 -8.391 1.00 0.00 C ATOM 691 C ALA A 46 -6.919 0.199 -8.926 1.00 0.00 C ATOM 692 O ALA A 46 -6.692 1.119 -8.160 1.00 0.00 O ATOM 693 CB ALA A 46 -8.535 -1.265 -7.701 1.00 0.00 C ATOM 0 H ALA A 46 -6.357 -1.453 -6.431 1.00 0.00 H new ATOM 0 HA ALA A 46 -7.152 -1.924 -9.222 1.00 0.00 H new ATOM 0 HB1 ALA A 46 -9.313 -0.996 -8.415 1.00 0.00 H new ATOM 0 HB2 ALA A 46 -8.719 -2.272 -7.326 1.00 0.00 H new ATOM 0 HB3 ALA A 46 -8.547 -0.560 -6.869 1.00 0.00 H new ATOM 699 N PRO A 47 -6.986 0.343 -10.226 1.00 0.00 N ATOM 700 CA PRO A 47 -6.771 1.642 -10.881 1.00 0.00 C ATOM 701 C PRO A 47 -7.945 2.572 -10.587 1.00 0.00 C ATOM 702 O PRO A 47 -7.932 3.737 -10.930 1.00 0.00 O ATOM 703 CB PRO A 47 -6.671 1.292 -12.369 1.00 0.00 C ATOM 704 CG PRO A 47 -7.363 -0.079 -12.537 1.00 0.00 C ATOM 705 CD PRO A 47 -7.307 -0.760 -11.157 1.00 0.00 C ATOM 0 HA PRO A 47 -5.882 2.168 -10.532 1.00 0.00 H new ATOM 0 HB2 PRO A 47 -7.158 2.051 -12.981 1.00 0.00 H new ATOM 0 HB3 PRO A 47 -5.630 1.244 -12.689 1.00 0.00 H new ATOM 0 HG2 PRO A 47 -8.394 0.043 -12.869 1.00 0.00 H new ATOM 0 HG3 PRO A 47 -6.855 -0.682 -13.290 1.00 0.00 H new ATOM 0 HD2 PRO A 47 -8.257 -1.231 -10.905 1.00 0.00 H new ATOM 0 HD3 PRO A 47 -6.547 -1.541 -11.128 1.00 0.00 H new ATOM 713 N GLU A 48 -8.953 2.068 -9.929 1.00 0.00 N ATOM 714 CA GLU A 48 -10.113 2.925 -9.584 1.00 0.00 C ATOM 715 C GLU A 48 -9.696 3.863 -8.453 1.00 0.00 C ATOM 716 O GLU A 48 -10.331 4.866 -8.197 1.00 0.00 O ATOM 717 CB GLU A 48 -11.280 2.050 -9.122 1.00 0.00 C ATOM 718 CG GLU A 48 -11.936 1.390 -10.336 1.00 0.00 C ATOM 719 CD GLU A 48 -13.432 1.211 -10.073 1.00 0.00 C ATOM 720 OE1 GLU A 48 -13.968 1.966 -9.278 1.00 0.00 O ATOM 721 OE2 GLU A 48 -14.016 0.322 -10.670 1.00 0.00 O ATOM 0 H GLU A 48 -9.020 1.099 -9.617 1.00 0.00 H new ATOM 0 HA GLU A 48 -10.427 3.501 -10.454 1.00 0.00 H new ATOM 0 HB2 GLU A 48 -10.924 1.288 -8.429 1.00 0.00 H new ATOM 0 HB3 GLU A 48 -12.011 2.654 -8.584 1.00 0.00 H new ATOM 0 HG2 GLU A 48 -11.783 2.004 -11.224 1.00 0.00 H new ATOM 0 HG3 GLU A 48 -11.472 0.423 -10.533 1.00 0.00 H new ATOM 728 N LEU A 49 -8.625 3.542 -7.770 1.00 0.00 N ATOM 729 CA LEU A 49 -8.169 4.412 -6.662 1.00 0.00 C ATOM 730 C LEU A 49 -6.953 5.221 -7.107 1.00 0.00 C ATOM 731 O LEU A 49 -6.619 5.277 -8.274 1.00 0.00 O ATOM 732 CB LEU A 49 -7.793 3.557 -5.453 1.00 0.00 C ATOM 733 CG LEU A 49 -6.677 2.590 -5.841 1.00 0.00 C ATOM 734 CD1 LEU A 49 -5.445 2.847 -4.974 1.00 0.00 C ATOM 735 CD2 LEU A 49 -7.159 1.160 -5.622 1.00 0.00 C ATOM 0 H LEU A 49 -8.053 2.714 -7.938 1.00 0.00 H new ATOM 0 HA LEU A 49 -8.977 5.091 -6.389 1.00 0.00 H new ATOM 0 HB2 LEU A 49 -7.467 4.194 -4.631 1.00 0.00 H new ATOM 0 HB3 LEU A 49 -8.663 3.003 -5.101 1.00 0.00 H new ATOM 0 HG LEU A 49 -6.415 2.738 -6.889 1.00 0.00 H new ATOM 0 HD11 LEU A 49 -4.652 2.154 -5.255 1.00 0.00 H new ATOM 0 HD12 LEU A 49 -5.102 3.871 -5.123 1.00 0.00 H new ATOM 0 HD13 LEU A 49 -5.701 2.699 -3.925 1.00 0.00 H new ATOM 0 HD21 LEU A 49 -6.367 0.463 -5.897 1.00 0.00 H new ATOM 0 HD22 LEU A 49 -7.417 1.020 -4.572 1.00 0.00 H new ATOM 0 HD23 LEU A 49 -8.037 0.973 -6.240 1.00 0.00 H new ATOM 747 N LEU A 50 -6.286 5.840 -6.178 1.00 0.00 N ATOM 748 CA LEU A 50 -5.082 6.645 -6.521 1.00 0.00 C ATOM 749 C LEU A 50 -3.887 6.067 -5.764 1.00 0.00 C ATOM 750 O LEU A 50 -4.050 5.255 -4.877 1.00 0.00 O ATOM 751 CB LEU A 50 -5.310 8.094 -6.091 1.00 0.00 C ATOM 752 CG LEU A 50 -5.797 8.926 -7.272 1.00 0.00 C ATOM 753 CD1 LEU A 50 -6.184 10.321 -6.777 1.00 0.00 C ATOM 754 CD2 LEU A 50 -4.676 9.039 -8.304 1.00 0.00 C ATOM 0 H LEU A 50 -6.524 5.823 -5.186 1.00 0.00 H new ATOM 0 HA LEU A 50 -4.894 6.614 -7.594 1.00 0.00 H new ATOM 0 HB2 LEU A 50 -6.043 8.130 -5.285 1.00 0.00 H new ATOM 0 HB3 LEU A 50 -4.384 8.514 -5.699 1.00 0.00 H new ATOM 0 HG LEU A 50 -6.664 8.449 -7.730 1.00 0.00 H new ATOM 0 HD11 LEU A 50 -6.533 10.921 -7.617 1.00 0.00 H new ATOM 0 HD12 LEU A 50 -6.979 10.237 -6.036 1.00 0.00 H new ATOM 0 HD13 LEU A 50 -5.316 10.800 -6.325 1.00 0.00 H new ATOM 0 HD21 LEU A 50 -5.020 9.633 -9.151 1.00 0.00 H new ATOM 0 HD22 LEU A 50 -3.810 9.521 -7.850 1.00 0.00 H new ATOM 0 HD23 LEU A 50 -4.397 8.043 -8.649 1.00 0.00 H new ATOM 766 N VAL A 51 -2.687 6.462 -6.092 1.00 0.00 N ATOM 767 CA VAL A 51 -1.522 5.895 -5.357 1.00 0.00 C ATOM 768 C VAL A 51 -0.319 6.836 -5.422 1.00 0.00 C ATOM 769 O VAL A 51 -0.025 7.428 -6.441 1.00 0.00 O ATOM 770 CB VAL A 51 -1.145 4.544 -5.963 1.00 0.00 C ATOM 771 CG1 VAL A 51 0.041 3.955 -5.199 1.00 0.00 C ATOM 772 CG2 VAL A 51 -2.337 3.594 -5.854 1.00 0.00 C ATOM 0 H VAL A 51 -2.465 7.139 -6.822 1.00 0.00 H new ATOM 0 HA VAL A 51 -1.804 5.769 -4.312 1.00 0.00 H new ATOM 0 HB VAL A 51 -0.873 4.677 -7.010 1.00 0.00 H new ATOM 0 HG11 VAL A 51 0.310 2.991 -5.631 1.00 0.00 H new ATOM 0 HG12 VAL A 51 0.891 4.633 -5.268 1.00 0.00 H new ATOM 0 HG13 VAL A 51 -0.231 3.820 -4.152 1.00 0.00 H new ATOM 0 HG21 VAL A 51 -2.073 2.628 -6.285 1.00 0.00 H new ATOM 0 HG22 VAL A 51 -2.603 3.463 -4.805 1.00 0.00 H new ATOM 0 HG23 VAL A 51 -3.186 4.013 -6.394 1.00 0.00 H new ATOM 782 N ASP A 52 0.387 6.955 -4.330 1.00 0.00 N ATOM 783 CA ASP A 52 1.592 7.827 -4.289 1.00 0.00 C ATOM 784 C ASP A 52 2.681 7.091 -3.507 1.00 0.00 C ATOM 785 O ASP A 52 2.398 6.207 -2.723 1.00 0.00 O ATOM 786 CB ASP A 52 1.252 9.144 -3.587 1.00 0.00 C ATOM 787 CG ASP A 52 0.753 10.158 -4.617 1.00 0.00 C ATOM 788 OD1 ASP A 52 1.544 10.558 -5.456 1.00 0.00 O ATOM 789 OD2 ASP A 52 -0.410 10.518 -4.551 1.00 0.00 O ATOM 0 H ASP A 52 0.175 6.478 -3.454 1.00 0.00 H new ATOM 0 HA ASP A 52 1.935 8.049 -5.300 1.00 0.00 H new ATOM 0 HB2 ASP A 52 0.489 8.977 -2.827 1.00 0.00 H new ATOM 0 HB3 ASP A 52 2.132 9.533 -3.075 1.00 0.00 H new ATOM 794 N ALA A 53 3.924 7.420 -3.705 1.00 0.00 N ATOM 795 CA ALA A 53 4.976 6.691 -2.951 1.00 0.00 C ATOM 796 C ALA A 53 6.257 7.526 -2.855 1.00 0.00 C ATOM 797 O ALA A 53 6.588 8.289 -3.740 1.00 0.00 O ATOM 798 CB ALA A 53 5.255 5.362 -3.654 1.00 0.00 C ATOM 0 H ALA A 53 4.253 8.146 -4.342 1.00 0.00 H new ATOM 0 HA ALA A 53 4.628 6.504 -1.935 1.00 0.00 H new ATOM 0 HB1 ALA A 53 6.026 4.817 -3.109 1.00 0.00 H new ATOM 0 HB2 ALA A 53 4.342 4.767 -3.683 1.00 0.00 H new ATOM 0 HB3 ALA A 53 5.596 5.553 -4.672 1.00 0.00 H new ATOM 804 N LYS A 54 6.973 7.385 -1.768 1.00 0.00 N ATOM 805 CA LYS A 54 8.232 8.167 -1.579 1.00 0.00 C ATOM 806 C LYS A 54 9.422 7.216 -1.384 1.00 0.00 C ATOM 807 O LYS A 54 9.269 6.065 -1.030 1.00 0.00 O ATOM 808 CB LYS A 54 8.092 9.063 -0.347 1.00 0.00 C ATOM 809 CG LYS A 54 7.876 10.510 -0.791 1.00 0.00 C ATOM 810 CD LYS A 54 6.853 11.180 0.127 1.00 0.00 C ATOM 811 CE LYS A 54 7.467 12.439 0.743 1.00 0.00 C ATOM 812 NZ LYS A 54 7.679 13.460 -0.322 1.00 0.00 N ATOM 0 H LYS A 54 6.738 6.758 -0.999 1.00 0.00 H new ATOM 0 HA LYS A 54 8.407 8.779 -2.464 1.00 0.00 H new ATOM 0 HB2 LYS A 54 7.253 8.730 0.265 1.00 0.00 H new ATOM 0 HB3 LYS A 54 8.986 8.991 0.272 1.00 0.00 H new ATOM 0 HG2 LYS A 54 8.819 11.055 -0.760 1.00 0.00 H new ATOM 0 HG3 LYS A 54 7.526 10.536 -1.823 1.00 0.00 H new ATOM 0 HD2 LYS A 54 5.957 11.438 -0.437 1.00 0.00 H new ATOM 0 HD3 LYS A 54 6.547 10.490 0.913 1.00 0.00 H new ATOM 0 HE2 LYS A 54 6.810 12.836 1.517 1.00 0.00 H new ATOM 0 HE3 LYS A 54 8.415 12.197 1.223 1.00 0.00 H new ATOM 0 HZ1 LYS A 54 7.885 14.381 0.116 1.00 0.00 H new ATOM 0 HZ2 LYS A 54 8.479 13.175 -0.922 1.00 0.00 H new ATOM 0 HZ3 LYS A 54 6.821 13.538 -0.904 1.00 0.00 H new ATOM 826 N SER A 55 10.610 7.695 -1.624 1.00 0.00 N ATOM 827 CA SER A 55 11.821 6.835 -1.477 1.00 0.00 C ATOM 828 C SER A 55 11.827 6.099 -0.128 1.00 0.00 C ATOM 829 O SER A 55 11.898 4.889 -0.077 1.00 0.00 O ATOM 830 CB SER A 55 13.071 7.709 -1.576 1.00 0.00 C ATOM 831 OG SER A 55 12.780 9.003 -1.066 1.00 0.00 O ATOM 0 H SER A 55 10.797 8.653 -1.918 1.00 0.00 H new ATOM 0 HA SER A 55 11.809 6.090 -2.273 1.00 0.00 H new ATOM 0 HB2 SER A 55 13.889 7.259 -1.013 1.00 0.00 H new ATOM 0 HB3 SER A 55 13.399 7.779 -2.613 1.00 0.00 H new ATOM 0 HG SER A 55 13.580 9.566 -1.126 1.00 0.00 H new ATOM 837 N SER A 56 11.788 6.811 0.964 1.00 0.00 N ATOM 838 CA SER A 56 11.831 6.130 2.293 1.00 0.00 C ATOM 839 C SER A 56 10.419 5.902 2.834 1.00 0.00 C ATOM 840 O SER A 56 10.225 5.703 4.019 1.00 0.00 O ATOM 841 CB SER A 56 12.613 6.997 3.280 1.00 0.00 C ATOM 842 OG SER A 56 14.006 6.819 3.060 1.00 0.00 O ATOM 0 H SER A 56 11.729 7.829 0.996 1.00 0.00 H new ATOM 0 HA SER A 56 12.319 5.163 2.172 1.00 0.00 H new ATOM 0 HB2 SER A 56 12.344 8.046 3.153 1.00 0.00 H new ATOM 0 HB3 SER A 56 12.357 6.724 4.304 1.00 0.00 H new ATOM 0 HG SER A 56 14.510 7.375 3.690 1.00 0.00 H new ATOM 848 N THR A 57 9.429 5.923 1.994 1.00 0.00 N ATOM 849 CA THR A 57 8.048 5.708 2.504 1.00 0.00 C ATOM 850 C THR A 57 7.084 5.611 1.328 1.00 0.00 C ATOM 851 O THR A 57 7.485 5.392 0.209 1.00 0.00 O ATOM 852 CB THR A 57 7.669 6.896 3.396 1.00 0.00 C ATOM 853 OG1 THR A 57 6.528 6.577 4.175 1.00 0.00 O ATOM 854 CG2 THR A 57 7.364 8.109 2.522 1.00 0.00 C ATOM 0 H THR A 57 9.511 6.077 0.989 1.00 0.00 H new ATOM 0 HA THR A 57 7.996 4.784 3.079 1.00 0.00 H new ATOM 0 HB THR A 57 8.502 7.121 4.062 1.00 0.00 H new ATOM 0 HG1 THR A 57 6.235 5.665 3.967 1.00 0.00 H new ATOM 0 HG21 THR A 57 7.094 8.955 3.155 1.00 0.00 H new ATOM 0 HG22 THR A 57 8.245 8.363 1.932 1.00 0.00 H new ATOM 0 HG23 THR A 57 6.535 7.877 1.854 1.00 0.00 H new ATOM 862 N THR A 58 5.818 5.787 1.572 1.00 0.00 N ATOM 863 CA THR A 58 4.837 5.727 0.462 1.00 0.00 C ATOM 864 C THR A 58 3.426 5.862 1.022 1.00 0.00 C ATOM 865 O THR A 58 3.158 5.529 2.159 1.00 0.00 O ATOM 866 CB THR A 58 4.953 4.397 -0.293 1.00 0.00 C ATOM 867 OG1 THR A 58 4.225 4.484 -1.507 1.00 0.00 O ATOM 868 CG2 THR A 58 4.372 3.268 0.555 1.00 0.00 C ATOM 0 H THR A 58 5.422 5.970 2.494 1.00 0.00 H new ATOM 0 HA THR A 58 5.046 6.544 -0.229 1.00 0.00 H new ATOM 0 HB THR A 58 6.003 4.192 -0.501 1.00 0.00 H new ATOM 0 HG1 THR A 58 4.350 3.660 -2.023 1.00 0.00 H new ATOM 0 HG21 THR A 58 4.457 2.326 0.014 1.00 0.00 H new ATOM 0 HG22 THR A 58 4.922 3.198 1.494 1.00 0.00 H new ATOM 0 HG23 THR A 58 3.322 3.473 0.764 1.00 0.00 H new ATOM 876 N SER A 59 2.520 6.334 0.221 1.00 0.00 N ATOM 877 CA SER A 59 1.117 6.480 0.681 1.00 0.00 C ATOM 878 C SER A 59 0.227 6.463 -0.540 1.00 0.00 C ATOM 879 O SER A 59 0.576 6.977 -1.582 1.00 0.00 O ATOM 880 CB SER A 59 0.943 7.794 1.442 1.00 0.00 C ATOM 881 OG SER A 59 2.046 7.979 2.319 1.00 0.00 O ATOM 0 H SER A 59 2.692 6.627 -0.741 1.00 0.00 H new ATOM 0 HA SER A 59 0.853 5.665 1.355 1.00 0.00 H new ATOM 0 HB2 SER A 59 0.877 8.627 0.742 1.00 0.00 H new ATOM 0 HB3 SER A 59 0.012 7.779 2.008 1.00 0.00 H new ATOM 0 HG SER A 59 2.332 7.111 2.673 1.00 0.00 H new ATOM 887 N ILE A 60 -0.905 5.850 -0.448 1.00 0.00 N ATOM 888 CA ILE A 60 -1.758 5.784 -1.648 1.00 0.00 C ATOM 889 C ILE A 60 -3.176 6.256 -1.332 1.00 0.00 C ATOM 890 O ILE A 60 -3.543 6.463 -0.191 1.00 0.00 O ATOM 891 CB ILE A 60 -1.681 4.358 -2.199 1.00 0.00 C ATOM 892 CG1 ILE A 60 -2.499 3.395 -1.345 1.00 0.00 C ATOM 893 CG2 ILE A 60 -0.215 3.910 -2.155 1.00 0.00 C ATOM 894 CD1 ILE A 60 -2.471 2.011 -1.993 1.00 0.00 C ATOM 0 H ILE A 60 -1.273 5.399 0.390 1.00 0.00 H new ATOM 0 HA ILE A 60 -1.406 6.463 -2.425 1.00 0.00 H new ATOM 0 HB ILE A 60 -2.076 4.349 -3.215 1.00 0.00 H new ATOM 0 HG12 ILE A 60 -2.091 3.347 -0.336 1.00 0.00 H new ATOM 0 HG13 ILE A 60 -3.526 3.749 -1.257 1.00 0.00 H new ATOM 0 HG21 ILE A 60 -0.133 2.895 -2.543 1.00 0.00 H new ATOM 0 HG22 ILE A 60 0.389 4.582 -2.765 1.00 0.00 H new ATOM 0 HG23 ILE A 60 0.142 3.935 -1.126 1.00 0.00 H new ATOM 0 HD11 ILE A 60 -3.053 1.315 -1.389 1.00 0.00 H new ATOM 0 HD12 ILE A 60 -2.899 2.069 -2.994 1.00 0.00 H new ATOM 0 HD13 ILE A 60 -1.441 1.661 -2.058 1.00 0.00 H new ATOM 906 N PHE A 61 -3.932 6.536 -2.356 1.00 0.00 N ATOM 907 CA PHE A 61 -5.283 7.128 -2.157 1.00 0.00 C ATOM 908 C PHE A 61 -6.443 6.178 -2.470 1.00 0.00 C ATOM 909 O PHE A 61 -6.326 5.239 -3.230 1.00 0.00 O ATOM 910 CB PHE A 61 -5.370 8.308 -3.106 1.00 0.00 C ATOM 911 CG PHE A 61 -5.068 9.569 -2.366 1.00 0.00 C ATOM 912 CD1 PHE A 61 -3.935 9.641 -1.557 1.00 0.00 C ATOM 913 CD2 PHE A 61 -5.913 10.666 -2.500 1.00 0.00 C ATOM 914 CE1 PHE A 61 -3.643 10.817 -0.875 1.00 0.00 C ATOM 915 CE2 PHE A 61 -5.629 11.846 -1.821 1.00 0.00 C ATOM 916 CZ PHE A 61 -4.491 11.928 -1.003 1.00 0.00 C ATOM 0 H PHE A 61 -3.670 6.379 -3.329 1.00 0.00 H new ATOM 0 HA PHE A 61 -5.385 7.390 -1.104 1.00 0.00 H new ATOM 0 HB2 PHE A 61 -4.666 8.179 -3.928 1.00 0.00 H new ATOM 0 HB3 PHE A 61 -6.366 8.362 -3.545 1.00 0.00 H new ATOM 0 HD1 PHE A 61 -3.285 8.784 -1.460 1.00 0.00 H new ATOM 0 HD2 PHE A 61 -6.788 10.601 -3.130 1.00 0.00 H new ATOM 0 HE1 PHE A 61 -2.766 10.875 -0.248 1.00 0.00 H new ATOM 0 HE2 PHE A 61 -6.284 12.699 -1.923 1.00 0.00 H new ATOM 0 HZ PHE A 61 -4.269 12.843 -0.474 1.00 0.00 H new ATOM 926 N PHE A 62 -7.585 6.482 -1.899 1.00 0.00 N ATOM 927 CA PHE A 62 -8.821 5.682 -2.140 1.00 0.00 C ATOM 928 C PHE A 62 -10.031 6.629 -2.164 1.00 0.00 C ATOM 929 O PHE A 62 -11.021 6.348 -1.521 1.00 0.00 O ATOM 930 CB PHE A 62 -9.070 4.716 -0.984 1.00 0.00 C ATOM 931 CG PHE A 62 -8.043 3.615 -0.920 1.00 0.00 C ATOM 932 CD1 PHE A 62 -6.720 3.902 -0.570 1.00 0.00 C ATOM 933 CD2 PHE A 62 -8.432 2.294 -1.172 1.00 0.00 C ATOM 934 CE1 PHE A 62 -5.785 2.866 -0.474 1.00 0.00 C ATOM 935 CE2 PHE A 62 -7.495 1.261 -1.082 1.00 0.00 C ATOM 936 CZ PHE A 62 -6.171 1.547 -0.733 1.00 0.00 C ATOM 0 H PHE A 62 -7.711 7.269 -1.263 1.00 0.00 H new ATOM 0 HA PHE A 62 -8.694 5.142 -3.078 1.00 0.00 H new ATOM 0 HB2 PHE A 62 -9.064 5.269 -0.045 1.00 0.00 H new ATOM 0 HB3 PHE A 62 -10.062 4.277 -1.089 1.00 0.00 H new ATOM 0 HD1 PHE A 62 -6.421 4.921 -0.374 1.00 0.00 H new ATOM 0 HD2 PHE A 62 -9.456 2.073 -1.436 1.00 0.00 H new ATOM 0 HE1 PHE A 62 -4.764 3.085 -0.200 1.00 0.00 H new ATOM 0 HE2 PHE A 62 -7.793 0.242 -1.282 1.00 0.00 H new ATOM 0 HZ PHE A 62 -5.447 0.749 -0.664 1.00 0.00 H new ATOM 946 N PRO A 63 -9.930 7.717 -2.886 1.00 0.00 N ATOM 947 CA PRO A 63 -11.027 8.705 -2.982 1.00 0.00 C ATOM 948 C PRO A 63 -12.251 8.081 -3.639 1.00 0.00 C ATOM 949 O PRO A 63 -13.340 8.618 -3.598 1.00 0.00 O ATOM 950 CB PRO A 63 -10.427 9.832 -3.829 1.00 0.00 C ATOM 951 CG PRO A 63 -9.250 9.195 -4.592 1.00 0.00 C ATOM 952 CD PRO A 63 -8.745 8.061 -3.687 1.00 0.00 C ATOM 0 HA PRO A 63 -11.374 9.065 -2.014 1.00 0.00 H new ATOM 0 HB2 PRO A 63 -11.166 10.240 -4.518 1.00 0.00 H new ATOM 0 HB3 PRO A 63 -10.087 10.656 -3.201 1.00 0.00 H new ATOM 0 HG2 PRO A 63 -9.571 8.812 -5.561 1.00 0.00 H new ATOM 0 HG3 PRO A 63 -8.464 9.925 -4.783 1.00 0.00 H new ATOM 0 HD2 PRO A 63 -8.391 7.210 -4.268 1.00 0.00 H new ATOM 0 HD3 PRO A 63 -7.915 8.386 -3.059 1.00 0.00 H new ATOM 960 N SER A 64 -12.078 6.939 -4.226 1.00 0.00 N ATOM 961 CA SER A 64 -13.225 6.250 -4.872 1.00 0.00 C ATOM 962 C SER A 64 -13.291 4.811 -4.356 1.00 0.00 C ATOM 963 O SER A 64 -13.389 3.874 -5.124 1.00 0.00 O ATOM 964 CB SER A 64 -13.031 6.242 -6.389 1.00 0.00 C ATOM 965 OG SER A 64 -12.704 7.554 -6.828 1.00 0.00 O ATOM 0 H SER A 64 -11.187 6.447 -4.288 1.00 0.00 H new ATOM 0 HA SER A 64 -14.152 6.772 -4.634 1.00 0.00 H new ATOM 0 HB2 SER A 64 -12.237 5.546 -6.662 1.00 0.00 H new ATOM 0 HB3 SER A 64 -13.940 5.897 -6.882 1.00 0.00 H new ATOM 0 HG SER A 64 -12.577 7.552 -7.800 1.00 0.00 H new ATOM 971 N ALA A 65 -13.229 4.620 -3.061 1.00 0.00 N ATOM 972 CA ALA A 65 -13.280 3.232 -2.524 1.00 0.00 C ATOM 973 C ALA A 65 -14.727 2.820 -2.279 1.00 0.00 C ATOM 974 O ALA A 65 -15.549 3.605 -1.834 1.00 0.00 O ATOM 975 CB ALA A 65 -12.509 3.145 -1.211 1.00 0.00 C ATOM 0 H ALA A 65 -13.146 5.358 -2.362 1.00 0.00 H new ATOM 0 HA ALA A 65 -12.827 2.563 -3.255 1.00 0.00 H new ATOM 0 HB1 ALA A 65 -12.554 2.125 -0.829 1.00 0.00 H new ATOM 0 HB2 ALA A 65 -11.469 3.423 -1.381 1.00 0.00 H new ATOM 0 HB3 ALA A 65 -12.952 3.825 -0.483 1.00 0.00 H new ATOM 981 N LYS A 66 -15.033 1.585 -2.563 1.00 0.00 N ATOM 982 CA LYS A 66 -16.415 1.079 -2.361 1.00 0.00 C ATOM 983 C LYS A 66 -16.366 -0.404 -1.983 1.00 0.00 C ATOM 984 O LYS A 66 -15.313 -1.001 -1.922 1.00 0.00 O ATOM 985 CB LYS A 66 -17.214 1.268 -3.656 1.00 0.00 C ATOM 986 CG LYS A 66 -16.919 0.123 -4.632 1.00 0.00 C ATOM 987 CD LYS A 66 -16.918 0.659 -6.065 1.00 0.00 C ATOM 988 CE LYS A 66 -18.331 1.106 -6.443 1.00 0.00 C ATOM 989 NZ LYS A 66 -18.313 2.550 -6.809 1.00 0.00 N ATOM 0 H LYS A 66 -14.375 0.898 -2.931 1.00 0.00 H new ATOM 0 HA LYS A 66 -16.899 1.632 -1.556 1.00 0.00 H new ATOM 0 HB2 LYS A 66 -18.280 1.300 -3.433 1.00 0.00 H new ATOM 0 HB3 LYS A 66 -16.956 2.222 -4.115 1.00 0.00 H new ATOM 0 HG2 LYS A 66 -15.953 -0.326 -4.400 1.00 0.00 H new ATOM 0 HG3 LYS A 66 -17.669 -0.661 -4.526 1.00 0.00 H new ATOM 0 HD2 LYS A 66 -16.225 1.496 -6.151 1.00 0.00 H new ATOM 0 HD3 LYS A 66 -16.573 -0.113 -6.753 1.00 0.00 H new ATOM 0 HE2 LYS A 66 -18.700 0.512 -7.279 1.00 0.00 H new ATOM 0 HE3 LYS A 66 -19.012 0.940 -5.608 1.00 0.00 H new ATOM 0 HZ1 LYS A 66 -19.273 2.855 -7.066 1.00 0.00 H new ATOM 0 HZ2 LYS A 66 -17.977 3.109 -5.999 1.00 0.00 H new ATOM 0 HZ3 LYS A 66 -17.675 2.695 -7.618 1.00 0.00 H new ATOM 1003 N ARG A 67 -17.499 -0.999 -1.733 1.00 0.00 N ATOM 1004 CA ARG A 67 -17.519 -2.443 -1.362 1.00 0.00 C ATOM 1005 C ARG A 67 -16.547 -3.220 -2.254 1.00 0.00 C ATOM 1006 O ARG A 67 -15.754 -4.011 -1.784 1.00 0.00 O ATOM 1007 CB ARG A 67 -18.934 -2.988 -1.551 1.00 0.00 C ATOM 1008 CG ARG A 67 -19.380 -3.704 -0.275 1.00 0.00 C ATOM 1009 CD ARG A 67 -20.768 -3.208 0.130 1.00 0.00 C ATOM 1010 NE ARG A 67 -21.708 -3.377 -1.014 1.00 0.00 N ATOM 1011 CZ ARG A 67 -21.707 -4.487 -1.700 1.00 0.00 C ATOM 1012 NH1 ARG A 67 -21.589 -5.633 -1.087 1.00 0.00 N ATOM 1013 NH2 ARG A 67 -21.825 -4.451 -2.999 1.00 0.00 N ATOM 0 H ARG A 67 -18.413 -0.548 -1.769 1.00 0.00 H new ATOM 0 HA ARG A 67 -17.216 -2.557 -0.321 1.00 0.00 H new ATOM 0 HB2 ARG A 67 -19.621 -2.174 -1.783 1.00 0.00 H new ATOM 0 HB3 ARG A 67 -18.960 -3.677 -2.395 1.00 0.00 H new ATOM 0 HG2 ARG A 67 -19.401 -4.781 -0.438 1.00 0.00 H new ATOM 0 HG3 ARG A 67 -18.667 -3.517 0.528 1.00 0.00 H new ATOM 0 HD2 ARG A 67 -21.127 -3.765 0.995 1.00 0.00 H new ATOM 0 HD3 ARG A 67 -20.720 -2.159 0.424 1.00 0.00 H new ATOM 0 HE ARG A 67 -22.352 -2.625 -1.261 1.00 0.00 H new ATOM 0 HH11 ARG A 67 -21.498 -5.661 -0.071 1.00 0.00 H new ATOM 0 HH12 ARG A 67 -21.588 -6.501 -1.623 1.00 0.00 H new ATOM 0 HH21 ARG A 67 -21.918 -3.555 -3.478 1.00 0.00 H new ATOM 0 HH22 ARG A 67 -21.824 -5.319 -3.535 1.00 0.00 H new ATOM 1027 N ALA A 68 -16.607 -3.005 -3.540 1.00 0.00 N ATOM 1028 CA ALA A 68 -15.699 -3.730 -4.467 1.00 0.00 C ATOM 1029 C ALA A 68 -14.237 -3.435 -4.115 1.00 0.00 C ATOM 1030 O ALA A 68 -13.398 -4.314 -4.126 1.00 0.00 O ATOM 1031 CB ALA A 68 -15.974 -3.277 -5.901 1.00 0.00 C ATOM 0 H ALA A 68 -17.251 -2.354 -3.989 1.00 0.00 H new ATOM 0 HA ALA A 68 -15.878 -4.801 -4.374 1.00 0.00 H new ATOM 0 HB1 ALA A 68 -15.310 -3.807 -6.584 1.00 0.00 H new ATOM 0 HB2 ALA A 68 -17.010 -3.496 -6.160 1.00 0.00 H new ATOM 0 HB3 ALA A 68 -15.799 -2.204 -5.984 1.00 0.00 H new ATOM 1037 N ASP A 69 -13.923 -2.206 -3.810 1.00 0.00 N ATOM 1038 CA ASP A 69 -12.514 -1.856 -3.467 1.00 0.00 C ATOM 1039 C ASP A 69 -12.010 -2.774 -2.351 1.00 0.00 C ATOM 1040 O ASP A 69 -10.821 -2.953 -2.173 1.00 0.00 O ATOM 1041 CB ASP A 69 -12.449 -0.401 -2.997 1.00 0.00 C ATOM 1042 CG ASP A 69 -11.002 -0.037 -2.657 1.00 0.00 C ATOM 1043 OD1 ASP A 69 -10.288 0.375 -3.556 1.00 0.00 O ATOM 1044 OD2 ASP A 69 -10.633 -0.177 -1.502 1.00 0.00 O ATOM 0 H ASP A 69 -14.582 -1.428 -3.783 1.00 0.00 H new ATOM 0 HA ASP A 69 -11.887 -1.983 -4.350 1.00 0.00 H new ATOM 0 HB2 ASP A 69 -12.828 0.261 -3.776 1.00 0.00 H new ATOM 0 HB3 ASP A 69 -13.085 -0.262 -2.123 1.00 0.00 H new ATOM 1049 N SER A 70 -12.902 -3.358 -1.599 1.00 0.00 N ATOM 1050 CA SER A 70 -12.466 -4.263 -0.497 1.00 0.00 C ATOM 1051 C SER A 70 -11.600 -5.386 -1.072 1.00 0.00 C ATOM 1052 O SER A 70 -12.087 -6.276 -1.741 1.00 0.00 O ATOM 1053 CB SER A 70 -13.696 -4.864 0.185 1.00 0.00 C ATOM 1054 OG SER A 70 -14.098 -6.032 -0.519 1.00 0.00 O ATOM 0 H SER A 70 -13.911 -3.249 -1.699 1.00 0.00 H new ATOM 0 HA SER A 70 -11.887 -3.696 0.232 1.00 0.00 H new ATOM 0 HB2 SER A 70 -13.467 -5.111 1.222 1.00 0.00 H new ATOM 0 HB3 SER A 70 -14.508 -4.138 0.202 1.00 0.00 H new ATOM 0 HG SER A 70 -13.696 -6.030 -1.413 1.00 0.00 H new ATOM 1060 N GLY A 71 -10.319 -5.353 -0.821 1.00 0.00 N ATOM 1061 CA GLY A 71 -9.428 -6.421 -1.358 1.00 0.00 C ATOM 1062 C GLY A 71 -8.173 -6.540 -0.489 1.00 0.00 C ATOM 1063 O GLY A 71 -8.063 -5.921 0.554 1.00 0.00 O ATOM 0 H GLY A 71 -9.852 -4.634 -0.268 1.00 0.00 H new ATOM 0 HA2 GLY A 71 -9.958 -7.373 -1.378 1.00 0.00 H new ATOM 0 HA3 GLY A 71 -9.148 -6.190 -2.386 1.00 0.00 H new ATOM 1067 N ASN A 72 -7.223 -7.330 -0.914 1.00 0.00 N ATOM 1068 CA ASN A 72 -5.973 -7.490 -0.119 1.00 0.00 C ATOM 1069 C ASN A 72 -4.891 -6.581 -0.697 1.00 0.00 C ATOM 1070 O ASN A 72 -4.141 -6.969 -1.571 1.00 0.00 O ATOM 1071 CB ASN A 72 -5.507 -8.946 -0.187 1.00 0.00 C ATOM 1072 CG ASN A 72 -6.644 -9.868 0.257 1.00 0.00 C ATOM 1073 OD1 ASN A 72 -6.996 -9.901 1.420 1.00 0.00 O ATOM 1074 ND2 ASN A 72 -7.238 -10.624 -0.625 1.00 0.00 N ATOM 0 H ASN A 72 -7.260 -7.871 -1.778 1.00 0.00 H new ATOM 0 HA ASN A 72 -6.162 -7.220 0.920 1.00 0.00 H new ATOM 0 HB2 ASN A 72 -5.200 -9.193 -1.203 1.00 0.00 H new ATOM 0 HB3 ASN A 72 -4.637 -9.090 0.453 1.00 0.00 H new ATOM 0 HD21 ASN A 72 -7.997 -11.242 -0.338 1.00 0.00 H new ATOM 0 HD22 ASN A 72 -6.943 -10.597 -1.601 1.00 0.00 H new ATOM 1081 N TYR A 73 -4.805 -5.371 -0.220 1.00 0.00 N ATOM 1082 CA TYR A 73 -3.774 -4.439 -0.749 1.00 0.00 C ATOM 1083 C TYR A 73 -2.394 -4.854 -0.240 1.00 0.00 C ATOM 1084 O TYR A 73 -1.918 -4.370 0.767 1.00 0.00 O ATOM 1085 CB TYR A 73 -4.088 -3.015 -0.289 1.00 0.00 C ATOM 1086 CG TYR A 73 -5.141 -2.421 -1.193 1.00 0.00 C ATOM 1087 CD1 TYR A 73 -6.349 -3.098 -1.399 1.00 0.00 C ATOM 1088 CD2 TYR A 73 -4.909 -1.194 -1.825 1.00 0.00 C ATOM 1089 CE1 TYR A 73 -7.325 -2.547 -2.238 1.00 0.00 C ATOM 1090 CE2 TYR A 73 -5.886 -0.643 -2.663 1.00 0.00 C ATOM 1091 CZ TYR A 73 -7.093 -1.320 -2.869 1.00 0.00 C ATOM 1092 OH TYR A 73 -8.056 -0.776 -3.695 1.00 0.00 O ATOM 0 H TYR A 73 -5.403 -4.989 0.512 1.00 0.00 H new ATOM 0 HA TYR A 73 -3.779 -4.475 -1.838 1.00 0.00 H new ATOM 0 HB2 TYR A 73 -4.440 -3.023 0.743 1.00 0.00 H new ATOM 0 HB3 TYR A 73 -3.185 -2.405 -0.313 1.00 0.00 H new ATOM 0 HD1 TYR A 73 -6.528 -4.045 -0.911 1.00 0.00 H new ATOM 0 HD2 TYR A 73 -3.977 -0.672 -1.666 1.00 0.00 H new ATOM 0 HE1 TYR A 73 -8.257 -3.069 -2.398 1.00 0.00 H new ATOM 0 HE2 TYR A 73 -5.708 0.304 -3.150 1.00 0.00 H new ATOM 0 HH TYR A 73 -8.606 -0.146 -3.185 1.00 0.00 H new ATOM 1102 N LYS A 74 -1.743 -5.741 -0.937 1.00 0.00 N ATOM 1103 CA LYS A 74 -0.390 -6.179 -0.510 1.00 0.00 C ATOM 1104 C LYS A 74 0.656 -5.261 -1.147 1.00 0.00 C ATOM 1105 O LYS A 74 0.702 -5.088 -2.353 1.00 0.00 O ATOM 1106 CB LYS A 74 -0.150 -7.621 -0.963 1.00 0.00 C ATOM 1107 CG LYS A 74 1.098 -8.172 -0.272 1.00 0.00 C ATOM 1108 CD LYS A 74 1.412 -9.566 -0.817 1.00 0.00 C ATOM 1109 CE LYS A 74 2.888 -9.887 -0.575 1.00 0.00 C ATOM 1110 NZ LYS A 74 3.002 -11.182 0.154 1.00 0.00 N ATOM 0 H LYS A 74 -2.093 -6.182 -1.787 1.00 0.00 H new ATOM 0 HA LYS A 74 -0.313 -6.127 0.576 1.00 0.00 H new ATOM 0 HB2 LYS A 74 -1.015 -8.238 -0.721 1.00 0.00 H new ATOM 0 HB3 LYS A 74 -0.025 -7.657 -2.045 1.00 0.00 H new ATOM 0 HG2 LYS A 74 1.944 -7.505 -0.441 1.00 0.00 H new ATOM 0 HG3 LYS A 74 0.939 -8.219 0.805 1.00 0.00 H new ATOM 0 HD2 LYS A 74 0.782 -10.310 -0.329 1.00 0.00 H new ATOM 0 HD3 LYS A 74 1.189 -9.610 -1.883 1.00 0.00 H new ATOM 0 HE2 LYS A 74 3.419 -9.944 -1.525 1.00 0.00 H new ATOM 0 HE3 LYS A 74 3.355 -9.090 0.003 1.00 0.00 H new ATOM 0 HZ1 LYS A 74 3.953 -11.577 0.013 1.00 0.00 H new ATOM 0 HZ2 LYS A 74 2.840 -11.024 1.169 1.00 0.00 H new ATOM 0 HZ3 LYS A 74 2.292 -11.849 -0.210 1.00 0.00 H new ATOM 1124 N LEU A 75 1.496 -4.668 -0.348 1.00 0.00 N ATOM 1125 CA LEU A 75 2.538 -3.764 -0.905 1.00 0.00 C ATOM 1126 C LEU A 75 3.905 -4.429 -0.740 1.00 0.00 C ATOM 1127 O LEU A 75 4.233 -4.942 0.309 1.00 0.00 O ATOM 1128 CB LEU A 75 2.503 -2.427 -0.152 1.00 0.00 C ATOM 1129 CG LEU A 75 3.803 -1.654 -0.389 1.00 0.00 C ATOM 1130 CD1 LEU A 75 3.492 -0.302 -1.023 1.00 0.00 C ATOM 1131 CD2 LEU A 75 4.504 -1.427 0.950 1.00 0.00 C ATOM 0 H LEU A 75 1.506 -4.770 0.667 1.00 0.00 H new ATOM 0 HA LEU A 75 2.352 -3.578 -1.963 1.00 0.00 H new ATOM 0 HB2 LEU A 75 1.652 -1.834 -0.488 1.00 0.00 H new ATOM 0 HB3 LEU A 75 2.366 -2.605 0.915 1.00 0.00 H new ATOM 0 HG LEU A 75 4.447 -2.228 -1.055 1.00 0.00 H new ATOM 0 HD11 LEU A 75 4.421 0.244 -1.189 1.00 0.00 H new ATOM 0 HD12 LEU A 75 2.985 -0.455 -1.976 1.00 0.00 H new ATOM 0 HD13 LEU A 75 2.848 0.272 -0.357 1.00 0.00 H new ATOM 0 HD21 LEU A 75 5.431 -0.877 0.787 1.00 0.00 H new ATOM 0 HD22 LEU A 75 3.852 -0.853 1.609 1.00 0.00 H new ATOM 0 HD23 LEU A 75 4.729 -2.389 1.410 1.00 0.00 H new ATOM 1143 N LYS A 76 4.704 -4.432 -1.770 1.00 0.00 N ATOM 1144 CA LYS A 76 6.044 -5.071 -1.663 1.00 0.00 C ATOM 1145 C LYS A 76 7.116 -4.097 -2.149 1.00 0.00 C ATOM 1146 O LYS A 76 7.168 -3.744 -3.311 1.00 0.00 O ATOM 1147 CB LYS A 76 6.079 -6.337 -2.522 1.00 0.00 C ATOM 1148 CG LYS A 76 5.201 -6.142 -3.759 1.00 0.00 C ATOM 1149 CD LYS A 76 5.404 -7.317 -4.717 1.00 0.00 C ATOM 1150 CE LYS A 76 5.082 -6.874 -6.145 1.00 0.00 C ATOM 1151 NZ LYS A 76 4.798 -8.072 -6.985 1.00 0.00 N ATOM 0 H LYS A 76 4.488 -4.021 -2.678 1.00 0.00 H new ATOM 0 HA LYS A 76 6.236 -5.333 -0.623 1.00 0.00 H new ATOM 0 HB2 LYS A 76 7.104 -6.557 -2.822 1.00 0.00 H new ATOM 0 HB3 LYS A 76 5.726 -7.191 -1.944 1.00 0.00 H new ATOM 0 HG2 LYS A 76 4.153 -6.073 -3.467 1.00 0.00 H new ATOM 0 HG3 LYS A 76 5.456 -5.206 -4.255 1.00 0.00 H new ATOM 0 HD2 LYS A 76 6.432 -7.674 -4.659 1.00 0.00 H new ATOM 0 HD3 LYS A 76 4.761 -8.149 -4.430 1.00 0.00 H new ATOM 0 HE2 LYS A 76 4.222 -6.205 -6.144 1.00 0.00 H new ATOM 0 HE3 LYS A 76 5.920 -6.315 -6.561 1.00 0.00 H new ATOM 0 HZ1 LYS A 76 4.579 -7.771 -7.956 1.00 0.00 H new ATOM 0 HZ2 LYS A 76 5.631 -8.694 -6.995 1.00 0.00 H new ATOM 0 HZ3 LYS A 76 3.985 -8.588 -6.591 1.00 0.00 H new ATOM 1165 N VAL A 77 7.977 -3.663 -1.270 1.00 0.00 N ATOM 1166 CA VAL A 77 9.047 -2.718 -1.685 1.00 0.00 C ATOM 1167 C VAL A 77 10.397 -3.443 -1.659 1.00 0.00 C ATOM 1168 O VAL A 77 10.552 -4.461 -1.014 1.00 0.00 O ATOM 1169 CB VAL A 77 9.057 -1.506 -0.738 1.00 0.00 C ATOM 1170 CG1 VAL A 77 7.624 -1.179 -0.312 1.00 0.00 C ATOM 1171 CG2 VAL A 77 9.884 -1.812 0.513 1.00 0.00 C ATOM 0 H VAL A 77 7.984 -3.923 -0.284 1.00 0.00 H new ATOM 0 HA VAL A 77 8.861 -2.362 -2.698 1.00 0.00 H new ATOM 0 HB VAL A 77 9.498 -0.659 -1.263 1.00 0.00 H new ATOM 0 HG11 VAL A 77 7.631 -0.320 0.359 1.00 0.00 H new ATOM 0 HG12 VAL A 77 7.027 -0.946 -1.193 1.00 0.00 H new ATOM 0 HG13 VAL A 77 7.192 -2.038 0.202 1.00 0.00 H new ATOM 0 HG21 VAL A 77 9.881 -0.944 1.173 1.00 0.00 H new ATOM 0 HG22 VAL A 77 9.452 -2.666 1.035 1.00 0.00 H new ATOM 0 HG23 VAL A 77 10.909 -2.044 0.224 1.00 0.00 H new ATOM 1181 N LYS A 78 11.372 -2.933 -2.360 1.00 0.00 N ATOM 1182 CA LYS A 78 12.703 -3.599 -2.381 1.00 0.00 C ATOM 1183 C LYS A 78 13.782 -2.572 -2.728 1.00 0.00 C ATOM 1184 O LYS A 78 13.490 -1.455 -3.110 1.00 0.00 O ATOM 1185 CB LYS A 78 12.698 -4.709 -3.435 1.00 0.00 C ATOM 1186 CG LYS A 78 13.241 -6.000 -2.819 1.00 0.00 C ATOM 1187 CD LYS A 78 12.992 -7.169 -3.775 1.00 0.00 C ATOM 1188 CE LYS A 78 14.194 -8.115 -3.747 1.00 0.00 C ATOM 1189 NZ LYS A 78 14.519 -8.549 -5.136 1.00 0.00 N ATOM 0 H LYS A 78 11.303 -2.083 -2.919 1.00 0.00 H new ATOM 0 HA LYS A 78 12.912 -4.027 -1.401 1.00 0.00 H new ATOM 0 HB2 LYS A 78 11.686 -4.868 -3.806 1.00 0.00 H new ATOM 0 HB3 LYS A 78 13.308 -4.416 -4.290 1.00 0.00 H new ATOM 0 HG2 LYS A 78 14.308 -5.900 -2.621 1.00 0.00 H new ATOM 0 HG3 LYS A 78 12.756 -6.190 -1.862 1.00 0.00 H new ATOM 0 HD2 LYS A 78 12.088 -7.704 -3.485 1.00 0.00 H new ATOM 0 HD3 LYS A 78 12.832 -6.797 -4.787 1.00 0.00 H new ATOM 0 HE2 LYS A 78 15.053 -7.615 -3.301 1.00 0.00 H new ATOM 0 HE3 LYS A 78 13.973 -8.983 -3.126 1.00 0.00 H new ATOM 0 HZ1 LYS A 78 15.336 -9.192 -5.117 1.00 0.00 H new ATOM 0 HZ2 LYS A 78 13.700 -9.042 -5.546 1.00 0.00 H new ATOM 0 HZ3 LYS A 78 14.748 -7.716 -5.715 1.00 0.00 H new ATOM 1203 N ASN A 79 15.028 -2.941 -2.599 1.00 0.00 N ATOM 1204 CA ASN A 79 16.126 -1.987 -2.923 1.00 0.00 C ATOM 1205 C ASN A 79 17.439 -2.756 -3.092 1.00 0.00 C ATOM 1206 O ASN A 79 17.792 -3.583 -2.277 1.00 0.00 O ATOM 1207 CB ASN A 79 16.272 -0.971 -1.788 1.00 0.00 C ATOM 1208 CG ASN A 79 17.184 0.170 -2.243 1.00 0.00 C ATOM 1209 OD1 ASN A 79 16.715 1.229 -2.611 1.00 0.00 O ATOM 1210 ND2 ASN A 79 18.477 -0.001 -2.232 1.00 0.00 N ATOM 0 H ASN A 79 15.332 -3.862 -2.283 1.00 0.00 H new ATOM 0 HA ASN A 79 15.890 -1.464 -3.850 1.00 0.00 H new ATOM 0 HB2 ASN A 79 15.294 -0.580 -1.507 1.00 0.00 H new ATOM 0 HB3 ASN A 79 16.688 -1.454 -0.904 1.00 0.00 H new ATOM 0 HD21 ASN A 79 19.094 0.754 -2.532 1.00 0.00 H new ATOM 0 HD22 ASN A 79 18.871 -0.890 -1.923 1.00 0.00 H new ATOM 1217 N GLU A 80 18.163 -2.487 -4.144 1.00 0.00 N ATOM 1218 CA GLU A 80 19.454 -3.198 -4.373 1.00 0.00 C ATOM 1219 C GLU A 80 19.300 -4.683 -4.030 1.00 0.00 C ATOM 1220 O GLU A 80 18.880 -5.476 -4.850 1.00 0.00 O ATOM 1221 CB GLU A 80 20.539 -2.574 -3.495 1.00 0.00 C ATOM 1222 CG GLU A 80 21.374 -1.600 -4.329 1.00 0.00 C ATOM 1223 CD GLU A 80 20.445 -0.653 -5.091 1.00 0.00 C ATOM 1224 OE1 GLU A 80 19.509 -0.158 -4.485 1.00 0.00 O ATOM 1225 OE2 GLU A 80 20.688 -0.437 -6.267 1.00 0.00 O ATOM 0 H GLU A 80 17.915 -1.802 -4.858 1.00 0.00 H new ATOM 0 HA GLU A 80 19.737 -3.105 -5.422 1.00 0.00 H new ATOM 0 HB2 GLU A 80 20.084 -2.051 -2.653 1.00 0.00 H new ATOM 0 HB3 GLU A 80 21.178 -3.353 -3.079 1.00 0.00 H new ATOM 0 HG2 GLU A 80 22.041 -1.030 -3.682 1.00 0.00 H new ATOM 0 HG3 GLU A 80 22.003 -2.151 -5.029 1.00 0.00 H new ATOM 1232 N LEU A 81 19.638 -5.071 -2.828 1.00 0.00 N ATOM 1233 CA LEU A 81 19.510 -6.508 -2.450 1.00 0.00 C ATOM 1234 C LEU A 81 18.588 -6.646 -1.239 1.00 0.00 C ATOM 1235 O LEU A 81 18.108 -7.718 -0.928 1.00 0.00 O ATOM 1236 CB LEU A 81 20.890 -7.075 -2.112 1.00 0.00 C ATOM 1237 CG LEU A 81 21.148 -8.327 -2.953 1.00 0.00 C ATOM 1238 CD1 LEU A 81 22.499 -8.199 -3.660 1.00 0.00 C ATOM 1239 CD2 LEU A 81 21.165 -9.557 -2.044 1.00 0.00 C ATOM 0 H LEU A 81 19.995 -4.458 -2.095 1.00 0.00 H new ATOM 0 HA LEU A 81 19.086 -7.062 -3.288 1.00 0.00 H new ATOM 0 HB2 LEU A 81 21.659 -6.328 -2.307 1.00 0.00 H new ATOM 0 HB3 LEU A 81 20.945 -7.319 -1.051 1.00 0.00 H new ATOM 0 HG LEU A 81 20.358 -8.433 -3.696 1.00 0.00 H new ATOM 0 HD11 LEU A 81 22.682 -9.091 -4.259 1.00 0.00 H new ATOM 0 HD12 LEU A 81 22.489 -7.323 -4.308 1.00 0.00 H new ATOM 0 HD13 LEU A 81 23.290 -8.092 -2.917 1.00 0.00 H new ATOM 0 HD21 LEU A 81 21.349 -10.449 -2.643 1.00 0.00 H new ATOM 0 HD22 LEU A 81 21.955 -9.449 -1.301 1.00 0.00 H new ATOM 0 HD23 LEU A 81 20.203 -9.650 -1.540 1.00 0.00 H new ATOM 1251 N GLY A 82 18.332 -5.568 -0.559 1.00 0.00 N ATOM 1252 CA GLY A 82 17.433 -5.629 0.629 1.00 0.00 C ATOM 1253 C GLY A 82 15.982 -5.711 0.153 1.00 0.00 C ATOM 1254 O GLY A 82 15.673 -5.380 -0.974 1.00 0.00 O ATOM 0 H GLY A 82 18.706 -4.643 -0.773 1.00 0.00 H new ATOM 0 HA2 GLY A 82 17.678 -6.497 1.242 1.00 0.00 H new ATOM 0 HA3 GLY A 82 17.575 -4.747 1.254 1.00 0.00 H new ATOM 1258 N GLU A 83 15.087 -6.149 0.996 1.00 0.00 N ATOM 1259 CA GLU A 83 13.663 -6.246 0.569 1.00 0.00 C ATOM 1260 C GLU A 83 12.738 -6.112 1.781 1.00 0.00 C ATOM 1261 O GLU A 83 13.005 -6.636 2.843 1.00 0.00 O ATOM 1262 CB GLU A 83 13.421 -7.599 -0.101 1.00 0.00 C ATOM 1263 CG GLU A 83 13.885 -8.720 0.831 1.00 0.00 C ATOM 1264 CD GLU A 83 15.345 -9.063 0.530 1.00 0.00 C ATOM 1265 OE1 GLU A 83 15.582 -9.742 -0.455 1.00 0.00 O ATOM 1266 OE2 GLU A 83 16.201 -8.639 1.289 1.00 0.00 O ATOM 0 H GLU A 83 15.278 -6.442 1.954 1.00 0.00 H new ATOM 0 HA GLU A 83 13.451 -5.441 -0.135 1.00 0.00 H new ATOM 0 HB2 GLU A 83 12.362 -7.718 -0.332 1.00 0.00 H new ATOM 0 HB3 GLU A 83 13.961 -7.651 -1.046 1.00 0.00 H new ATOM 0 HG2 GLU A 83 13.780 -8.410 1.871 1.00 0.00 H new ATOM 0 HG3 GLU A 83 13.258 -9.602 0.697 1.00 0.00 H new ATOM 1273 N ASP A 84 11.647 -5.417 1.617 1.00 0.00 N ATOM 1274 CA ASP A 84 10.684 -5.246 2.740 1.00 0.00 C ATOM 1275 C ASP A 84 9.263 -5.277 2.173 1.00 0.00 C ATOM 1276 O ASP A 84 9.055 -5.040 1.000 1.00 0.00 O ATOM 1277 CB ASP A 84 10.939 -3.904 3.429 1.00 0.00 C ATOM 1278 CG ASP A 84 11.936 -4.099 4.572 1.00 0.00 C ATOM 1279 OD1 ASP A 84 13.122 -4.162 4.293 1.00 0.00 O ATOM 1280 OD2 ASP A 84 11.497 -4.181 5.708 1.00 0.00 O ATOM 0 H ASP A 84 11.380 -4.957 0.747 1.00 0.00 H new ATOM 0 HA ASP A 84 10.808 -6.047 3.468 1.00 0.00 H new ATOM 0 HB2 ASP A 84 11.329 -3.183 2.711 1.00 0.00 H new ATOM 0 HB3 ASP A 84 10.004 -3.497 3.813 1.00 0.00 H new ATOM 1285 N GLU A 85 8.283 -5.572 2.983 1.00 0.00 N ATOM 1286 CA GLU A 85 6.888 -5.620 2.458 1.00 0.00 C ATOM 1287 C GLU A 85 5.887 -5.447 3.602 1.00 0.00 C ATOM 1288 O GLU A 85 6.205 -5.637 4.759 1.00 0.00 O ATOM 1289 CB GLU A 85 6.643 -6.970 1.778 1.00 0.00 C ATOM 1290 CG GLU A 85 7.696 -7.201 0.692 1.00 0.00 C ATOM 1291 CD GLU A 85 7.365 -8.483 -0.075 1.00 0.00 C ATOM 1292 OE1 GLU A 85 7.061 -9.473 0.569 1.00 0.00 O ATOM 1293 OE2 GLU A 85 7.421 -8.452 -1.293 1.00 0.00 O ATOM 0 H GLU A 85 8.385 -5.780 3.976 1.00 0.00 H new ATOM 0 HA GLU A 85 6.755 -4.812 1.739 1.00 0.00 H new ATOM 0 HB2 GLU A 85 6.685 -7.772 2.515 1.00 0.00 H new ATOM 0 HB3 GLU A 85 5.645 -6.992 1.340 1.00 0.00 H new ATOM 0 HG2 GLU A 85 7.722 -6.352 0.009 1.00 0.00 H new ATOM 0 HG3 GLU A 85 8.686 -7.279 1.141 1.00 0.00 H new ATOM 1300 N ALA A 86 4.674 -5.096 3.276 1.00 0.00 N ATOM 1301 CA ALA A 86 3.631 -4.915 4.322 1.00 0.00 C ATOM 1302 C ALA A 86 2.272 -5.313 3.740 1.00 0.00 C ATOM 1303 O ALA A 86 1.940 -4.968 2.622 1.00 0.00 O ATOM 1304 CB ALA A 86 3.593 -3.449 4.759 1.00 0.00 C ATOM 0 H ALA A 86 4.359 -4.926 2.321 1.00 0.00 H new ATOM 0 HA ALA A 86 3.860 -5.539 5.186 1.00 0.00 H new ATOM 0 HB1 ALA A 86 2.829 -3.317 5.525 1.00 0.00 H new ATOM 0 HB2 ALA A 86 4.565 -3.164 5.163 1.00 0.00 H new ATOM 0 HB3 ALA A 86 3.358 -2.819 3.901 1.00 0.00 H new ATOM 1310 N ILE A 87 1.487 -6.045 4.483 1.00 0.00 N ATOM 1311 CA ILE A 87 0.156 -6.470 3.964 1.00 0.00 C ATOM 1312 C ILE A 87 -0.911 -5.463 4.395 1.00 0.00 C ATOM 1313 O ILE A 87 -0.987 -5.079 5.545 1.00 0.00 O ATOM 1314 CB ILE A 87 -0.202 -7.851 4.523 1.00 0.00 C ATOM 1315 CG1 ILE A 87 1.077 -8.638 4.821 1.00 0.00 C ATOM 1316 CG2 ILE A 87 -1.040 -8.616 3.498 1.00 0.00 C ATOM 1317 CD1 ILE A 87 1.390 -8.556 6.316 1.00 0.00 C ATOM 0 H ILE A 87 1.709 -6.366 5.425 1.00 0.00 H new ATOM 0 HA ILE A 87 0.198 -6.516 2.876 1.00 0.00 H new ATOM 0 HB ILE A 87 -0.773 -7.727 5.443 1.00 0.00 H new ATOM 0 HG12 ILE A 87 0.955 -9.679 4.521 1.00 0.00 H new ATOM 0 HG13 ILE A 87 1.908 -8.235 4.242 1.00 0.00 H new ATOM 0 HG21 ILE A 87 -1.294 -9.598 3.896 1.00 0.00 H new ATOM 0 HG22 ILE A 87 -1.955 -8.061 3.289 1.00 0.00 H new ATOM 0 HG23 ILE A 87 -0.469 -8.735 2.577 1.00 0.00 H new ATOM 0 HD11 ILE A 87 2.301 -9.116 6.528 1.00 0.00 H new ATOM 0 HD12 ILE A 87 1.530 -7.514 6.602 1.00 0.00 H new ATOM 0 HD13 ILE A 87 0.562 -8.980 6.885 1.00 0.00 H new ATOM 1329 N PHE A 88 -1.743 -5.037 3.483 1.00 0.00 N ATOM 1330 CA PHE A 88 -2.808 -4.064 3.849 1.00 0.00 C ATOM 1331 C PHE A 88 -4.165 -4.610 3.406 1.00 0.00 C ATOM 1332 O PHE A 88 -4.571 -4.454 2.271 1.00 0.00 O ATOM 1333 CB PHE A 88 -2.543 -2.720 3.164 1.00 0.00 C ATOM 1334 CG PHE A 88 -1.252 -2.140 3.689 1.00 0.00 C ATOM 1335 CD1 PHE A 88 -1.264 -1.324 4.826 1.00 0.00 C ATOM 1336 CD2 PHE A 88 -0.043 -2.427 3.046 1.00 0.00 C ATOM 1337 CE1 PHE A 88 -0.066 -0.795 5.320 1.00 0.00 C ATOM 1338 CE2 PHE A 88 1.155 -1.897 3.539 1.00 0.00 C ATOM 1339 CZ PHE A 88 1.143 -1.082 4.677 1.00 0.00 C ATOM 0 H PHE A 88 -1.730 -5.321 2.503 1.00 0.00 H new ATOM 0 HA PHE A 88 -2.809 -3.917 4.929 1.00 0.00 H new ATOM 0 HB2 PHE A 88 -2.482 -2.855 2.084 1.00 0.00 H new ATOM 0 HB3 PHE A 88 -3.368 -2.033 3.354 1.00 0.00 H new ATOM 0 HD1 PHE A 88 -2.197 -1.103 5.322 1.00 0.00 H new ATOM 0 HD2 PHE A 88 -0.034 -3.058 2.169 1.00 0.00 H new ATOM 0 HE1 PHE A 88 -0.075 -0.165 6.197 1.00 0.00 H new ATOM 0 HE2 PHE A 88 2.088 -2.117 3.042 1.00 0.00 H new ATOM 0 HZ PHE A 88 2.067 -0.675 5.059 1.00 0.00 H new ATOM 1349 N GLU A 89 -4.877 -5.239 4.299 1.00 0.00 N ATOM 1350 CA GLU A 89 -6.214 -5.784 3.938 1.00 0.00 C ATOM 1351 C GLU A 89 -7.205 -4.629 3.955 1.00 0.00 C ATOM 1352 O GLU A 89 -7.561 -4.126 4.998 1.00 0.00 O ATOM 1353 CB GLU A 89 -6.635 -6.839 4.963 1.00 0.00 C ATOM 1354 CG GLU A 89 -6.573 -8.227 4.323 1.00 0.00 C ATOM 1355 CD GLU A 89 -7.914 -8.545 3.660 1.00 0.00 C ATOM 1356 OE1 GLU A 89 -8.540 -7.623 3.163 1.00 0.00 O ATOM 1357 OE2 GLU A 89 -8.292 -9.705 3.659 1.00 0.00 O ATOM 0 H GLU A 89 -4.590 -5.399 5.265 1.00 0.00 H new ATOM 0 HA GLU A 89 -6.184 -6.249 2.952 1.00 0.00 H new ATOM 0 HB2 GLU A 89 -5.979 -6.798 5.833 1.00 0.00 H new ATOM 0 HB3 GLU A 89 -7.646 -6.635 5.316 1.00 0.00 H new ATOM 0 HG2 GLU A 89 -5.773 -8.263 3.584 1.00 0.00 H new ATOM 0 HG3 GLU A 89 -6.342 -8.977 5.079 1.00 0.00 H new ATOM 1364 N VAL A 90 -7.630 -4.180 2.811 1.00 0.00 N ATOM 1365 CA VAL A 90 -8.569 -3.028 2.778 1.00 0.00 C ATOM 1366 C VAL A 90 -10.008 -3.512 2.615 1.00 0.00 C ATOM 1367 O VAL A 90 -10.333 -4.243 1.701 1.00 0.00 O ATOM 1368 CB VAL A 90 -8.189 -2.119 1.612 1.00 0.00 C ATOM 1369 CG1 VAL A 90 -8.740 -0.713 1.854 1.00 0.00 C ATOM 1370 CG2 VAL A 90 -6.663 -2.061 1.506 1.00 0.00 C ATOM 0 H VAL A 90 -7.370 -4.558 1.900 1.00 0.00 H new ATOM 0 HA VAL A 90 -8.501 -2.479 3.717 1.00 0.00 H new ATOM 0 HB VAL A 90 -8.610 -2.512 0.686 1.00 0.00 H new ATOM 0 HG11 VAL A 90 -8.467 -0.067 1.020 1.00 0.00 H new ATOM 0 HG12 VAL A 90 -9.826 -0.757 1.938 1.00 0.00 H new ATOM 0 HG13 VAL A 90 -8.320 -0.312 2.776 1.00 0.00 H new ATOM 0 HG21 VAL A 90 -6.380 -1.414 0.676 1.00 0.00 H new ATOM 0 HG22 VAL A 90 -6.249 -1.664 2.433 1.00 0.00 H new ATOM 0 HG23 VAL A 90 -6.272 -3.064 1.334 1.00 0.00 H new ATOM 1380 N ILE A 91 -10.874 -3.095 3.496 1.00 0.00 N ATOM 1381 CA ILE A 91 -12.299 -3.509 3.400 1.00 0.00 C ATOM 1382 C ILE A 91 -13.154 -2.264 3.144 1.00 0.00 C ATOM 1383 O ILE A 91 -12.685 -1.148 3.246 1.00 0.00 O ATOM 1384 CB ILE A 91 -12.727 -4.185 4.710 1.00 0.00 C ATOM 1385 CG1 ILE A 91 -12.287 -5.650 4.689 1.00 0.00 C ATOM 1386 CG2 ILE A 91 -14.248 -4.121 4.858 1.00 0.00 C ATOM 1387 CD1 ILE A 91 -10.772 -5.734 4.884 1.00 0.00 C ATOM 0 H ILE A 91 -10.654 -2.483 4.281 1.00 0.00 H new ATOM 0 HA ILE A 91 -12.431 -4.218 2.582 1.00 0.00 H new ATOM 0 HB ILE A 91 -12.261 -3.667 5.549 1.00 0.00 H new ATOM 0 HG12 ILE A 91 -12.796 -6.204 5.477 1.00 0.00 H new ATOM 0 HG13 ILE A 91 -12.568 -6.111 3.742 1.00 0.00 H new ATOM 0 HG21 ILE A 91 -14.543 -4.603 5.790 1.00 0.00 H new ATOM 0 HG22 ILE A 91 -14.569 -3.079 4.870 1.00 0.00 H new ATOM 0 HG23 ILE A 91 -14.717 -4.635 4.019 1.00 0.00 H new ATOM 0 HD11 ILE A 91 -10.461 -6.778 4.869 1.00 0.00 H new ATOM 0 HD12 ILE A 91 -10.271 -5.194 4.080 1.00 0.00 H new ATOM 0 HD13 ILE A 91 -10.503 -5.289 5.842 1.00 0.00 H new ATOM 1399 N VAL A 92 -14.401 -2.443 2.801 1.00 0.00 N ATOM 1400 CA VAL A 92 -15.268 -1.266 2.529 1.00 0.00 C ATOM 1401 C VAL A 92 -16.692 -1.534 3.017 1.00 0.00 C ATOM 1402 O VAL A 92 -17.303 -2.525 2.672 1.00 0.00 O ATOM 1403 CB VAL A 92 -15.269 -1.019 1.028 1.00 0.00 C ATOM 1404 CG1 VAL A 92 -15.947 0.316 0.714 1.00 0.00 C ATOM 1405 CG2 VAL A 92 -13.820 -0.998 0.553 1.00 0.00 C ATOM 0 H VAL A 92 -14.854 -3.351 2.698 1.00 0.00 H new ATOM 0 HA VAL A 92 -14.888 -0.391 3.056 1.00 0.00 H new ATOM 0 HB VAL A 92 -15.822 -1.807 0.516 1.00 0.00 H new ATOM 0 HG11 VAL A 92 -15.942 0.482 -0.363 1.00 0.00 H new ATOM 0 HG12 VAL A 92 -16.976 0.295 1.073 1.00 0.00 H new ATOM 0 HG13 VAL A 92 -15.407 1.124 1.208 1.00 0.00 H new ATOM 0 HG21 VAL A 92 -13.792 -0.822 -0.522 1.00 0.00 H new ATOM 0 HG22 VAL A 92 -13.281 -0.201 1.065 1.00 0.00 H new ATOM 0 HG23 VAL A 92 -13.350 -1.956 0.776 1.00 0.00 H new ATOM 1415 N GLN A 93 -17.224 -0.651 3.818 1.00 0.00 N ATOM 1416 CA GLN A 93 -18.610 -0.848 4.329 1.00 0.00 C ATOM 1417 C GLN A 93 -19.569 0.068 3.567 1.00 0.00 C ATOM 1418 O GLN A 93 -20.382 -0.449 2.819 1.00 0.00 O ATOM 1419 CB GLN A 93 -18.657 -0.507 5.820 1.00 0.00 C ATOM 1420 CG GLN A 93 -18.382 -1.768 6.642 1.00 0.00 C ATOM 1421 CD GLN A 93 -18.683 -1.492 8.115 1.00 0.00 C ATOM 1422 OE1 GLN A 93 -19.085 -2.378 8.842 1.00 0.00 O ATOM 1423 NE2 GLN A 93 -18.504 -0.289 8.590 1.00 0.00 N ATOM 1424 OXT GLN A 93 -19.474 1.272 3.743 1.00 0.00 O ATOM 0 H GLN A 93 -16.759 0.198 4.140 1.00 0.00 H new ATOM 0 HA GLN A 93 -18.907 -1.887 4.184 1.00 0.00 H new ATOM 0 HB2 GLN A 93 -17.917 0.259 6.052 1.00 0.00 H new ATOM 0 HB3 GLN A 93 -19.633 -0.097 6.079 1.00 0.00 H new ATOM 0 HG2 GLN A 93 -18.999 -2.591 6.282 1.00 0.00 H new ATOM 0 HG3 GLN A 93 -17.342 -2.073 6.523 1.00 0.00 H new ATOM 0 HE21 GLN A 93 -18.166 0.455 7.980 1.00 0.00 H new ATOM 0 HE22 GLN A 93 -18.702 -0.094 9.571 1.00 0.00 H new TER 1433 GLN A 93