USER MOD reduce.3.24.130724 H: found=0, std=0, add=648, rem=0, adj=19 USER MOD reduce.3.24.130724 removed 644 hydrogens (0 hets) USER MOD ----------------------------------------------------------------- USER MOD scores for adjustable sidechains, with "set" totals for H,N and Q USER MOD "o" means original, "f" means flipped, "180deg" is methyl default USER MOD "!" flags a clash with an overlap of 0.40A or greater USER MOD flip categories: "K"=keep, "C"=clashes, "X"=uncertain, "F"=flip USER MOD NoAdj-H: A 65 HIS HE2 : A 65 HIS NE2 : A 401 ZNZN :(H bumps) USER MOD Single : A 1 GLY N :NH3+ -115:sc= 0.102 (180deg=0) USER MOD Single : A 2 SER OG : rot 180:sc= 0 USER MOD Single : A 3 SER OG : rot 180:sc=-0.00664 USER MOD Single : A 5 SER OG : rot 180:sc= 0 USER MOD Single : A 6 SER OG : rot 180:sc= -0.151 USER MOD Single : A 11 HIS : no HD1:sc= -2.76! C(o=-2.8!,f=-3.2!) USER MOD Single : A 12 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 13 LYS NZ :NH3+ 159:sc= -0.0288 (180deg=-0.256) USER MOD Single : A 15 THR OG1 : rot 159:sc= -2.78! USER MOD Single : A 20 MET CE :methyl -117:sc=-0.00613 (180deg=-0.229) USER MOD Single : A 24 LYS NZ :NH3+ 151:sc= 0.0195 (180deg=0) USER MOD Single : A 30 GLN : amide:sc= -0.58 K(o=-0.58,f=0) USER MOD Single : A 32 SER OG : rot 66:sc= 1.22 USER MOD Single : A 37 TYR OH : rot 180:sc= 0 USER MOD Single : A 41 GLN : amide:sc= 0.0219 K(o=0.022,f=-1.2!) USER MOD Single : A 45 THR OG1 : rot 180:sc= 0 USER MOD Single : A 48 GLN : amide:sc= -7.83! C(o=-7.8!,f=-5.2!) USER MOD Single : A 50 HIS : no HD1:sc= -0.278 X(o=-0.28,f=0.052) USER MOD Single : A 51 GLN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 52 THR OG1 : rot 180:sc= 0 USER MOD Single : A 58 LYS NZ :NH3+ -172:sc= 0.2 (180deg=0.119) USER MOD Single : A 60 GLN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 64 GLN : amide:sc= -3.76! C(o=-3.8!,f=-3.4!) USER MOD Single : A 69 SER OG : rot 180:sc= 0 USER MOD Single : A 74 GLN : amide:sc= -0.0185 K(o=-0.019,f=-1.4) USER MOD Single : A 75 ASN : amide:sc= -0.505 X(o=-0.5,f=-0.13) USER MOD Single : A 77 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 79 MET CE :methyl -172:sc=-0.00384 (180deg=-0.163) USER MOD Single : A 80 ASN : amide:sc= -6.74! C(o=-6.7!,f=-7.6!) USER MOD Single : A 81 SER OG : rot 180:sc= 0 USER MOD Single : A 84 SER OG : rot 180:sc= 0 USER MOD Single : A 85 SER OG : rot 37:sc= 0.947 USER MOD ----------------------------------------------------------------- ATOM 1 N GLY A 1 -9.362 14.938 55.065 1.00 0.00 N ATOM 2 CA GLY A 1 -9.268 15.039 53.621 1.00 0.00 C ATOM 3 C GLY A 1 -10.240 14.117 52.911 1.00 0.00 C ATOM 4 O GLY A 1 -10.910 13.303 53.546 1.00 0.00 O ATOM 0 H1 GLY A 1 -9.699 15.841 55.455 1.00 0.00 H new ATOM 0 H2 GLY A 1 -10.029 14.181 55.317 1.00 0.00 H new ATOM 0 H3 GLY A 1 -8.425 14.719 55.459 1.00 0.00 H new ATOM 0 HA2 GLY A 1 -9.461 16.068 53.318 1.00 0.00 H new ATOM 0 HA3 GLY A 1 -8.251 14.800 53.309 1.00 0.00 H new ATOM 8 N SER A 2 -10.318 14.246 51.590 1.00 0.00 N ATOM 9 CA SER A 2 -11.219 13.422 50.794 1.00 0.00 C ATOM 10 C SER A 2 -10.961 13.618 49.303 1.00 0.00 C ATOM 11 O SER A 2 -10.315 14.584 48.896 1.00 0.00 O ATOM 12 CB SER A 2 -12.676 13.760 51.119 1.00 0.00 C ATOM 13 OG SER A 2 -13.547 12.730 50.686 1.00 0.00 O ATOM 0 H SER A 2 -9.768 14.913 51.049 1.00 0.00 H new ATOM 0 HA SER A 2 -11.031 12.378 51.044 1.00 0.00 H new ATOM 0 HB2 SER A 2 -12.788 13.907 52.193 1.00 0.00 H new ATOM 0 HB3 SER A 2 -12.951 14.699 50.638 1.00 0.00 H new ATOM 0 HG SER A 2 -14.471 12.969 50.907 1.00 0.00 H new ATOM 19 N SER A 3 -11.470 12.695 48.494 1.00 0.00 N ATOM 20 CA SER A 3 -11.291 12.763 47.048 1.00 0.00 C ATOM 21 C SER A 3 -12.293 11.861 46.334 1.00 0.00 C ATOM 22 O SER A 3 -12.998 11.075 46.966 1.00 0.00 O ATOM 23 CB SER A 3 -9.865 12.361 46.669 1.00 0.00 C ATOM 24 OG SER A 3 -9.551 12.775 45.351 1.00 0.00 O ATOM 0 H SER A 3 -12.010 11.891 48.815 1.00 0.00 H new ATOM 0 HA SER A 3 -11.466 13.792 46.733 1.00 0.00 H new ATOM 0 HB2 SER A 3 -9.160 12.806 47.371 1.00 0.00 H new ATOM 0 HB3 SER A 3 -9.755 11.280 46.750 1.00 0.00 H new ATOM 0 HG SER A 3 -8.634 12.507 45.134 1.00 0.00 H new ATOM 30 N GLY A 4 -12.348 11.979 45.011 1.00 0.00 N ATOM 31 CA GLY A 4 -13.265 11.169 44.231 1.00 0.00 C ATOM 32 C GLY A 4 -12.918 11.157 42.755 1.00 0.00 C ATOM 33 O GLY A 4 -12.409 12.143 42.223 1.00 0.00 O ATOM 0 H GLY A 4 -11.774 12.621 44.465 1.00 0.00 H new ATOM 0 HA2 GLY A 4 -13.256 10.148 44.611 1.00 0.00 H new ATOM 0 HA3 GLY A 4 -14.279 11.548 44.359 1.00 0.00 H new ATOM 37 N SER A 5 -13.192 10.037 42.094 1.00 0.00 N ATOM 38 CA SER A 5 -12.901 9.899 40.671 1.00 0.00 C ATOM 39 C SER A 5 -13.556 8.645 40.102 1.00 0.00 C ATOM 40 O SER A 5 -13.640 7.616 40.772 1.00 0.00 O ATOM 41 CB SER A 5 -11.389 9.847 40.442 1.00 0.00 C ATOM 42 OG SER A 5 -11.088 9.578 39.084 1.00 0.00 O ATOM 0 H SER A 5 -13.615 9.212 42.520 1.00 0.00 H new ATOM 0 HA SER A 5 -13.310 10.767 40.155 1.00 0.00 H new ATOM 0 HB2 SER A 5 -10.941 10.796 40.736 1.00 0.00 H new ATOM 0 HB3 SER A 5 -10.948 9.077 41.075 1.00 0.00 H new ATOM 0 HG SER A 5 -10.116 9.552 38.963 1.00 0.00 H new ATOM 48 N SER A 6 -14.020 8.739 38.860 1.00 0.00 N ATOM 49 CA SER A 6 -14.673 7.614 38.200 1.00 0.00 C ATOM 50 C SER A 6 -14.891 7.906 36.718 1.00 0.00 C ATOM 51 O SER A 6 -14.856 9.059 36.289 1.00 0.00 O ATOM 52 CB SER A 6 -16.011 7.307 38.873 1.00 0.00 C ATOM 53 OG SER A 6 -16.730 6.320 38.153 1.00 0.00 O ATOM 0 H SER A 6 -13.956 9.583 38.290 1.00 0.00 H new ATOM 0 HA SER A 6 -14.022 6.744 38.289 1.00 0.00 H new ATOM 0 HB2 SER A 6 -15.838 6.964 39.893 1.00 0.00 H new ATOM 0 HB3 SER A 6 -16.606 8.218 38.940 1.00 0.00 H new ATOM 0 HG SER A 6 -17.581 6.140 38.605 1.00 0.00 H new ATOM 59 N GLY A 7 -15.117 6.851 35.941 1.00 0.00 N ATOM 60 CA GLY A 7 -15.337 7.014 34.516 1.00 0.00 C ATOM 61 C GLY A 7 -15.910 5.767 33.872 1.00 0.00 C ATOM 62 O GLY A 7 -15.767 4.665 34.401 1.00 0.00 O ATOM 0 H GLY A 7 -15.152 5.887 36.273 1.00 0.00 H new ATOM 0 HA2 GLY A 7 -16.016 7.850 34.350 1.00 0.00 H new ATOM 0 HA3 GLY A 7 -14.394 7.268 34.033 1.00 0.00 H new ATOM 66 N ALA A 8 -16.562 5.940 32.726 1.00 0.00 N ATOM 67 CA ALA A 8 -17.158 4.820 32.009 1.00 0.00 C ATOM 68 C ALA A 8 -17.157 5.068 30.505 1.00 0.00 C ATOM 69 O ALA A 8 -16.692 6.108 30.037 1.00 0.00 O ATOM 70 CB ALA A 8 -18.575 4.571 32.504 1.00 0.00 C ATOM 0 H ALA A 8 -16.690 6.846 32.275 1.00 0.00 H new ATOM 0 HA ALA A 8 -16.555 3.933 32.205 1.00 0.00 H new ATOM 0 HB1 ALA A 8 -19.008 3.732 31.960 1.00 0.00 H new ATOM 0 HB2 ALA A 8 -18.553 4.340 33.569 1.00 0.00 H new ATOM 0 HB3 ALA A 8 -19.180 5.462 32.338 1.00 0.00 H new ATOM 76 N LEU A 9 -17.679 4.107 29.751 1.00 0.00 N ATOM 77 CA LEU A 9 -17.737 4.220 28.298 1.00 0.00 C ATOM 78 C LEU A 9 -19.171 4.073 27.798 1.00 0.00 C ATOM 79 O LEU A 9 -19.439 4.207 26.604 1.00 0.00 O ATOM 80 CB LEU A 9 -16.847 3.161 27.647 1.00 0.00 C ATOM 81 CG LEU A 9 -17.441 1.755 27.545 1.00 0.00 C ATOM 82 CD1 LEU A 9 -17.998 1.312 28.888 1.00 0.00 C ATOM 83 CD2 LEU A 9 -18.523 1.711 26.475 1.00 0.00 C ATOM 0 H LEU A 9 -18.068 3.240 30.122 1.00 0.00 H new ATOM 0 HA LEU A 9 -17.374 5.210 28.021 1.00 0.00 H new ATOM 0 HB2 LEU A 9 -16.590 3.499 26.643 1.00 0.00 H new ATOM 0 HB3 LEU A 9 -15.916 3.101 28.211 1.00 0.00 H new ATOM 0 HG LEU A 9 -16.647 1.065 27.260 1.00 0.00 H new ATOM 0 HD11 LEU A 9 -18.416 0.310 28.796 1.00 0.00 H new ATOM 0 HD12 LEU A 9 -17.199 1.305 29.629 1.00 0.00 H new ATOM 0 HD13 LEU A 9 -18.779 2.003 29.204 1.00 0.00 H new ATOM 0 HD21 LEU A 9 -18.935 0.704 26.415 1.00 0.00 H new ATOM 0 HD22 LEU A 9 -19.317 2.413 26.731 1.00 0.00 H new ATOM 0 HD23 LEU A 9 -18.093 1.985 25.511 1.00 0.00 H new ATOM 95 N PHE A 10 -20.088 3.799 28.719 1.00 0.00 N ATOM 96 CA PHE A 10 -21.495 3.635 28.372 1.00 0.00 C ATOM 97 C PHE A 10 -22.066 4.926 27.793 1.00 0.00 C ATOM 98 O PHE A 10 -22.925 4.897 26.910 1.00 0.00 O ATOM 99 CB PHE A 10 -22.300 3.214 29.603 1.00 0.00 C ATOM 100 CG PHE A 10 -22.167 1.756 29.937 1.00 0.00 C ATOM 101 CD1 PHE A 10 -21.042 1.282 30.592 1.00 0.00 C ATOM 102 CD2 PHE A 10 -23.166 0.859 29.596 1.00 0.00 C ATOM 103 CE1 PHE A 10 -20.916 -0.059 30.902 1.00 0.00 C ATOM 104 CE2 PHE A 10 -23.046 -0.483 29.903 1.00 0.00 C ATOM 105 CZ PHE A 10 -21.919 -0.943 30.556 1.00 0.00 C ATOM 0 H PHE A 10 -19.882 3.686 29.712 1.00 0.00 H new ATOM 0 HA PHE A 10 -21.568 2.854 27.615 1.00 0.00 H new ATOM 0 HB2 PHE A 10 -21.975 3.806 30.459 1.00 0.00 H new ATOM 0 HB3 PHE A 10 -23.352 3.446 29.436 1.00 0.00 H new ATOM 0 HD1 PHE A 10 -20.254 1.969 30.864 1.00 0.00 H new ATOM 0 HD2 PHE A 10 -24.049 1.213 29.084 1.00 0.00 H new ATOM 0 HE1 PHE A 10 -20.034 -0.415 31.414 1.00 0.00 H new ATOM 0 HE2 PHE A 10 -23.833 -1.172 29.633 1.00 0.00 H new ATOM 0 HZ PHE A 10 -21.822 -1.992 30.795 1.00 0.00 H new ATOM 115 N HIS A 11 -21.585 6.058 28.297 1.00 0.00 N ATOM 116 CA HIS A 11 -22.047 7.360 27.831 1.00 0.00 C ATOM 117 C HIS A 11 -21.468 7.682 26.456 1.00 0.00 C ATOM 118 O HIS A 11 -22.023 8.488 25.710 1.00 0.00 O ATOM 119 CB HIS A 11 -21.658 8.450 28.829 1.00 0.00 C ATOM 120 CG HIS A 11 -20.209 8.828 28.770 1.00 0.00 C ATOM 121 ND1 HIS A 11 -19.245 8.241 29.562 1.00 0.00 N ATOM 122 CD2 HIS A 11 -19.562 9.738 28.004 1.00 0.00 C ATOM 123 CE1 HIS A 11 -18.069 8.775 29.288 1.00 0.00 C ATOM 124 NE2 HIS A 11 -18.233 9.686 28.346 1.00 0.00 N ATOM 0 H HIS A 11 -20.875 6.100 29.028 1.00 0.00 H new ATOM 0 HA HIS A 11 -23.133 7.324 27.749 1.00 0.00 H new ATOM 0 HB2 HIS A 11 -22.264 9.336 28.641 1.00 0.00 H new ATOM 0 HB3 HIS A 11 -21.895 8.110 29.837 1.00 0.00 H new ATOM 0 HD2 HIS A 11 -20.008 10.384 27.262 1.00 0.00 H new ATOM 0 HE1 HIS A 11 -17.132 8.511 29.755 1.00 0.00 H new ATOM 0 HE2 HIS A 11 -17.493 10.258 27.939 1.00 0.00 H new ATOM 132 N LYS A 12 -20.347 7.047 26.128 1.00 0.00 N ATOM 133 CA LYS A 12 -19.692 7.265 24.844 1.00 0.00 C ATOM 134 C LYS A 12 -19.361 5.937 24.170 1.00 0.00 C ATOM 135 O LYS A 12 -18.218 5.480 24.202 1.00 0.00 O ATOM 136 CB LYS A 12 -18.414 8.085 25.033 1.00 0.00 C ATOM 137 CG LYS A 12 -17.525 7.576 26.154 1.00 0.00 C ATOM 138 CD LYS A 12 -16.182 8.288 26.168 1.00 0.00 C ATOM 139 CE LYS A 12 -15.279 7.796 25.048 1.00 0.00 C ATOM 140 NZ LYS A 12 -14.169 8.750 24.771 1.00 0.00 N ATOM 0 H LYS A 12 -19.874 6.377 26.734 1.00 0.00 H new ATOM 0 HA LYS A 12 -20.379 7.817 24.203 1.00 0.00 H new ATOM 0 HB2 LYS A 12 -17.848 8.080 24.101 1.00 0.00 H new ATOM 0 HB3 LYS A 12 -18.684 9.121 25.237 1.00 0.00 H new ATOM 0 HG2 LYS A 12 -18.025 7.722 27.111 1.00 0.00 H new ATOM 0 HG3 LYS A 12 -17.368 6.504 26.037 1.00 0.00 H new ATOM 0 HD2 LYS A 12 -16.337 9.362 26.066 1.00 0.00 H new ATOM 0 HD3 LYS A 12 -15.693 8.126 27.129 1.00 0.00 H new ATOM 0 HE2 LYS A 12 -14.864 6.824 25.316 1.00 0.00 H new ATOM 0 HE3 LYS A 12 -15.869 7.652 24.143 1.00 0.00 H new ATOM 0 HZ1 LYS A 12 -13.576 8.379 24.002 1.00 0.00 H new ATOM 0 HZ2 LYS A 12 -14.564 9.670 24.490 1.00 0.00 H new ATOM 0 HZ3 LYS A 12 -13.591 8.868 25.627 1.00 0.00 H new ATOM 154 N LYS A 13 -20.369 5.321 23.560 1.00 0.00 N ATOM 155 CA LYS A 13 -20.185 4.047 22.875 1.00 0.00 C ATOM 156 C LYS A 13 -19.574 4.255 21.493 1.00 0.00 C ATOM 157 O LYS A 13 -19.778 5.294 20.863 1.00 0.00 O ATOM 158 CB LYS A 13 -21.523 3.316 22.748 1.00 0.00 C ATOM 159 CG LYS A 13 -22.260 3.161 24.068 1.00 0.00 C ATOM 160 CD LYS A 13 -21.711 1.999 24.880 1.00 0.00 C ATOM 161 CE LYS A 13 -22.754 1.450 25.841 1.00 0.00 C ATOM 162 NZ LYS A 13 -23.849 0.739 25.124 1.00 0.00 N ATOM 0 H LYS A 13 -21.322 5.684 23.526 1.00 0.00 H new ATOM 0 HA LYS A 13 -19.500 3.440 23.467 1.00 0.00 H new ATOM 0 HB2 LYS A 13 -22.159 3.858 22.048 1.00 0.00 H new ATOM 0 HB3 LYS A 13 -21.349 2.328 22.321 1.00 0.00 H new ATOM 0 HG2 LYS A 13 -22.173 4.082 24.644 1.00 0.00 H new ATOM 0 HG3 LYS A 13 -23.321 3.003 23.877 1.00 0.00 H new ATOM 0 HD2 LYS A 13 -21.382 1.207 24.207 1.00 0.00 H new ATOM 0 HD3 LYS A 13 -20.835 2.327 25.440 1.00 0.00 H new ATOM 0 HE2 LYS A 13 -22.277 0.767 26.544 1.00 0.00 H new ATOM 0 HE3 LYS A 13 -23.174 2.268 26.427 1.00 0.00 H new ATOM 0 HZ1 LYS A 13 -24.331 0.092 25.780 1.00 0.00 H new ATOM 0 HZ2 LYS A 13 -24.532 1.433 24.758 1.00 0.00 H new ATOM 0 HZ3 LYS A 13 -23.450 0.195 24.332 1.00 0.00 H new ATOM 176 N LEU A 14 -18.826 3.261 21.027 1.00 0.00 N ATOM 177 CA LEU A 14 -18.187 3.334 19.717 1.00 0.00 C ATOM 178 C LEU A 14 -19.219 3.216 18.600 1.00 0.00 C ATOM 179 O LEU A 14 -20.391 2.934 18.849 1.00 0.00 O ATOM 180 CB LEU A 14 -17.138 2.229 19.578 1.00 0.00 C ATOM 181 CG LEU A 14 -15.924 2.336 20.501 1.00 0.00 C ATOM 182 CD1 LEU A 14 -16.306 1.977 21.928 1.00 0.00 C ATOM 183 CD2 LEU A 14 -14.798 1.439 20.007 1.00 0.00 C ATOM 0 H LEU A 14 -18.647 2.395 21.536 1.00 0.00 H new ATOM 0 HA LEU A 14 -17.697 4.304 19.632 1.00 0.00 H new ATOM 0 HB2 LEU A 14 -17.623 1.270 19.759 1.00 0.00 H new ATOM 0 HB3 LEU A 14 -16.785 2.218 18.547 1.00 0.00 H new ATOM 0 HG LEU A 14 -15.572 3.368 20.489 1.00 0.00 H new ATOM 0 HD11 LEU A 14 -15.430 2.059 22.571 1.00 0.00 H new ATOM 0 HD12 LEU A 14 -17.079 2.660 22.280 1.00 0.00 H new ATOM 0 HD13 LEU A 14 -16.683 0.955 21.957 1.00 0.00 H new ATOM 0 HD21 LEU A 14 -13.942 1.528 20.676 1.00 0.00 H new ATOM 0 HD22 LEU A 14 -15.139 0.404 19.989 1.00 0.00 H new ATOM 0 HD23 LEU A 14 -14.506 1.742 19.002 1.00 0.00 H new ATOM 195 N THR A 15 -18.774 3.432 17.366 1.00 0.00 N ATOM 196 CA THR A 15 -19.658 3.349 16.210 1.00 0.00 C ATOM 197 C THR A 15 -20.166 1.926 16.007 1.00 0.00 C ATOM 198 O THR A 15 -19.388 0.973 16.017 1.00 0.00 O ATOM 199 CB THR A 15 -18.948 3.817 14.925 1.00 0.00 C ATOM 200 OG1 THR A 15 -19.869 3.819 13.829 1.00 0.00 O ATOM 201 CG2 THR A 15 -17.768 2.913 14.600 1.00 0.00 C ATOM 0 H THR A 15 -17.807 3.666 17.142 1.00 0.00 H new ATOM 0 HA THR A 15 -20.503 4.008 16.410 1.00 0.00 H new ATOM 0 HB THR A 15 -18.577 4.829 15.089 1.00 0.00 H new ATOM 0 HG1 THR A 15 -19.537 4.412 13.124 1.00 0.00 H new ATOM 0 HG21 THR A 15 -17.282 3.262 13.689 1.00 0.00 H new ATOM 0 HG22 THR A 15 -17.054 2.936 15.424 1.00 0.00 H new ATOM 0 HG23 THR A 15 -18.121 1.892 14.454 1.00 0.00 H new ATOM 209 N GLU A 16 -21.476 1.791 15.823 1.00 0.00 N ATOM 210 CA GLU A 16 -22.087 0.483 15.618 1.00 0.00 C ATOM 211 C GLU A 16 -22.833 0.434 14.288 1.00 0.00 C ATOM 212 O GLU A 16 -23.274 1.460 13.773 1.00 0.00 O ATOM 213 CB GLU A 16 -23.045 0.158 16.766 1.00 0.00 C ATOM 214 CG GLU A 16 -22.341 -0.246 18.051 1.00 0.00 C ATOM 215 CD GLU A 16 -23.271 -0.928 19.035 1.00 0.00 C ATOM 216 OE1 GLU A 16 -23.595 -2.115 18.819 1.00 0.00 O ATOM 217 OE2 GLU A 16 -23.674 -0.276 20.021 1.00 0.00 O ATOM 0 H GLU A 16 -22.134 2.571 15.812 1.00 0.00 H new ATOM 0 HA GLU A 16 -21.292 -0.262 15.596 1.00 0.00 H new ATOM 0 HB2 GLU A 16 -23.671 1.028 16.963 1.00 0.00 H new ATOM 0 HB3 GLU A 16 -23.709 -0.649 16.456 1.00 0.00 H new ATOM 0 HG2 GLU A 16 -21.515 -0.916 17.813 1.00 0.00 H new ATOM 0 HG3 GLU A 16 -21.909 0.639 18.518 1.00 0.00 H new ATOM 224 N GLY A 17 -22.969 -0.769 13.737 1.00 0.00 N ATOM 225 CA GLY A 17 -23.661 -0.931 12.472 1.00 0.00 C ATOM 226 C GLY A 17 -23.028 -0.122 11.357 1.00 0.00 C ATOM 227 O GLY A 17 -23.728 0.490 10.550 1.00 0.00 O ATOM 0 H GLY A 17 -22.612 -1.633 14.144 1.00 0.00 H new ATOM 0 HA2 GLY A 17 -23.664 -1.985 12.195 1.00 0.00 H new ATOM 0 HA3 GLY A 17 -24.702 -0.630 12.590 1.00 0.00 H new ATOM 231 N VAL A 18 -21.700 -0.116 11.312 1.00 0.00 N ATOM 232 CA VAL A 18 -20.973 0.625 10.289 1.00 0.00 C ATOM 233 C VAL A 18 -19.890 -0.238 9.650 1.00 0.00 C ATOM 234 O VAL A 18 -18.751 -0.271 10.117 1.00 0.00 O ATOM 235 CB VAL A 18 -20.324 1.896 10.870 1.00 0.00 C ATOM 236 CG1 VAL A 18 -19.579 1.574 12.156 1.00 0.00 C ATOM 237 CG2 VAL A 18 -19.392 2.532 9.849 1.00 0.00 C ATOM 0 H VAL A 18 -21.105 -0.616 11.973 1.00 0.00 H new ATOM 0 HA VAL A 18 -21.701 0.912 9.530 1.00 0.00 H new ATOM 0 HB VAL A 18 -21.112 2.612 11.104 1.00 0.00 H new ATOM 0 HG11 VAL A 18 -19.127 2.483 12.552 1.00 0.00 H new ATOM 0 HG12 VAL A 18 -20.276 1.167 12.888 1.00 0.00 H new ATOM 0 HG13 VAL A 18 -18.799 0.841 11.951 1.00 0.00 H new ATOM 0 HG21 VAL A 18 -18.942 3.428 10.276 1.00 0.00 H new ATOM 0 HG22 VAL A 18 -18.607 1.824 9.582 1.00 0.00 H new ATOM 0 HG23 VAL A 18 -19.958 2.800 8.957 1.00 0.00 H new ATOM 247 N LEU A 19 -20.253 -0.936 8.580 1.00 0.00 N ATOM 248 CA LEU A 19 -19.313 -1.800 7.875 1.00 0.00 C ATOM 249 C LEU A 19 -19.064 -1.293 6.458 1.00 0.00 C ATOM 250 O LEU A 19 -19.771 -1.664 5.522 1.00 0.00 O ATOM 251 CB LEU A 19 -19.844 -3.234 7.829 1.00 0.00 C ATOM 252 CG LEU A 19 -19.989 -3.939 9.178 1.00 0.00 C ATOM 253 CD1 LEU A 19 -20.958 -5.107 9.069 1.00 0.00 C ATOM 254 CD2 LEU A 19 -18.634 -4.414 9.681 1.00 0.00 C ATOM 0 H LEU A 19 -21.192 -0.921 8.181 1.00 0.00 H new ATOM 0 HA LEU A 19 -18.368 -1.786 8.418 1.00 0.00 H new ATOM 0 HB2 LEU A 19 -20.818 -3.224 7.340 1.00 0.00 H new ATOM 0 HB3 LEU A 19 -19.179 -3.827 7.201 1.00 0.00 H new ATOM 0 HG LEU A 19 -20.391 -3.225 9.897 1.00 0.00 H new ATOM 0 HD11 LEU A 19 -21.048 -5.596 10.039 1.00 0.00 H new ATOM 0 HD12 LEU A 19 -21.935 -4.741 8.755 1.00 0.00 H new ATOM 0 HD13 LEU A 19 -20.585 -5.822 8.335 1.00 0.00 H new ATOM 0 HD21 LEU A 19 -18.757 -4.913 10.642 1.00 0.00 H new ATOM 0 HD22 LEU A 19 -18.203 -5.111 8.962 1.00 0.00 H new ATOM 0 HD23 LEU A 19 -17.969 -3.558 9.799 1.00 0.00 H new ATOM 266 N MET A 20 -18.052 -0.444 6.309 1.00 0.00 N ATOM 267 CA MET A 20 -17.707 0.111 5.005 1.00 0.00 C ATOM 268 C MET A 20 -16.249 -0.173 4.662 1.00 0.00 C ATOM 269 O MET A 20 -15.386 -0.188 5.540 1.00 0.00 O ATOM 270 CB MET A 20 -17.963 1.619 4.985 1.00 0.00 C ATOM 271 CG MET A 20 -17.073 2.399 5.939 1.00 0.00 C ATOM 272 SD MET A 20 -17.262 4.184 5.763 1.00 0.00 S ATOM 273 CE MET A 20 -18.890 4.424 6.471 1.00 0.00 C ATOM 0 H MET A 20 -17.457 -0.126 7.074 1.00 0.00 H new ATOM 0 HA MET A 20 -18.338 -0.367 4.256 1.00 0.00 H new ATOM 0 HB2 MET A 20 -17.811 1.992 3.972 1.00 0.00 H new ATOM 0 HB3 MET A 20 -19.006 1.806 5.240 1.00 0.00 H new ATOM 0 HG2 MET A 20 -17.307 2.112 6.964 1.00 0.00 H new ATOM 0 HG3 MET A 20 -16.032 2.129 5.762 1.00 0.00 H new ATOM 0 HE1 MET A 20 -19.566 4.809 5.707 1.00 0.00 H new ATOM 0 HE2 MET A 20 -19.269 3.472 6.844 1.00 0.00 H new ATOM 0 HE3 MET A 20 -18.828 5.137 7.293 1.00 0.00 H new ATOM 283 N ARG A 21 -15.980 -0.399 3.380 1.00 0.00 N ATOM 284 CA ARG A 21 -14.626 -0.685 2.921 1.00 0.00 C ATOM 285 C ARG A 21 -14.188 0.320 1.860 1.00 0.00 C ATOM 286 O ARG A 21 -14.921 0.593 0.909 1.00 0.00 O ATOM 287 CB ARG A 21 -14.544 -2.105 2.359 1.00 0.00 C ATOM 288 CG ARG A 21 -13.216 -2.419 1.690 1.00 0.00 C ATOM 289 CD ARG A 21 -13.197 -1.954 0.242 1.00 0.00 C ATOM 290 NE ARG A 21 -12.256 -2.723 -0.568 1.00 0.00 N ATOM 291 CZ ARG A 21 -12.519 -3.933 -1.049 1.00 0.00 C ATOM 292 NH1 ARG A 21 -13.688 -4.509 -0.803 1.00 0.00 N ATOM 293 NH2 ARG A 21 -11.612 -4.570 -1.778 1.00 0.00 N ATOM 0 H ARG A 21 -16.682 -0.390 2.640 1.00 0.00 H new ATOM 0 HA ARG A 21 -13.954 -0.601 3.775 1.00 0.00 H new ATOM 0 HB2 ARG A 21 -14.711 -2.817 3.167 1.00 0.00 H new ATOM 0 HB3 ARG A 21 -15.348 -2.248 1.637 1.00 0.00 H new ATOM 0 HG2 ARG A 21 -12.408 -1.936 2.239 1.00 0.00 H new ATOM 0 HG3 ARG A 21 -13.032 -3.493 1.731 1.00 0.00 H new ATOM 0 HD2 ARG A 21 -14.198 -2.045 -0.181 1.00 0.00 H new ATOM 0 HD3 ARG A 21 -12.929 -0.898 0.204 1.00 0.00 H new ATOM 0 HE ARG A 21 -11.347 -2.308 -0.776 1.00 0.00 H new ATOM 0 HH11 ARG A 21 -14.388 -4.023 -0.243 1.00 0.00 H new ATOM 0 HH12 ARG A 21 -13.887 -5.438 -1.174 1.00 0.00 H new ATOM 0 HH21 ARG A 21 -10.712 -4.131 -1.970 1.00 0.00 H new ATOM 0 HH22 ARG A 21 -11.815 -5.499 -2.147 1.00 0.00 H new ATOM 307 N ASP A 22 -12.990 0.868 2.030 1.00 0.00 N ATOM 308 CA ASP A 22 -12.454 1.843 1.087 1.00 0.00 C ATOM 309 C ASP A 22 -11.265 1.265 0.326 1.00 0.00 C ATOM 310 O ASP A 22 -10.530 0.414 0.827 1.00 0.00 O ATOM 311 CB ASP A 22 -12.035 3.117 1.822 1.00 0.00 C ATOM 312 CG ASP A 22 -13.223 3.952 2.258 1.00 0.00 C ATOM 313 OD1 ASP A 22 -14.154 4.130 1.444 1.00 0.00 O ATOM 314 OD2 ASP A 22 -13.223 4.425 3.413 1.00 0.00 O ATOM 0 H ASP A 22 -12.371 0.654 2.812 1.00 0.00 H new ATOM 0 HA ASP A 22 -13.237 2.088 0.370 1.00 0.00 H new ATOM 0 HB2 ASP A 22 -11.442 2.850 2.697 1.00 0.00 H new ATOM 0 HB3 ASP A 22 -11.394 3.713 1.173 1.00 0.00 H new ATOM 319 N PRO A 23 -11.070 1.736 -0.915 1.00 0.00 N ATOM 320 CA PRO A 23 -9.972 1.280 -1.772 1.00 0.00 C ATOM 321 C PRO A 23 -8.612 1.755 -1.273 1.00 0.00 C ATOM 322 O PRO A 23 -7.732 0.947 -0.975 1.00 0.00 O ATOM 323 CB PRO A 23 -10.295 1.912 -3.128 1.00 0.00 C ATOM 324 CG PRO A 23 -11.114 3.113 -2.801 1.00 0.00 C ATOM 325 CD PRO A 23 -11.908 2.751 -1.576 1.00 0.00 C ATOM 0 HA PRO A 23 -9.900 0.193 -1.799 1.00 0.00 H new ATOM 0 HB2 PRO A 23 -9.386 2.187 -3.663 1.00 0.00 H new ATOM 0 HB3 PRO A 23 -10.844 1.220 -3.766 1.00 0.00 H new ATOM 0 HG2 PRO A 23 -10.479 3.979 -2.613 1.00 0.00 H new ATOM 0 HG3 PRO A 23 -11.772 3.374 -3.630 1.00 0.00 H new ATOM 0 HD2 PRO A 23 -12.073 3.616 -0.934 1.00 0.00 H new ATOM 0 HD3 PRO A 23 -12.890 2.355 -1.836 1.00 0.00 H new ATOM 333 N LYS A 24 -8.446 3.070 -1.183 1.00 0.00 N ATOM 334 CA LYS A 24 -7.193 3.654 -0.719 1.00 0.00 C ATOM 335 C LYS A 24 -7.300 5.173 -0.631 1.00 0.00 C ATOM 336 O LYS A 24 -7.364 5.860 -1.650 1.00 0.00 O ATOM 337 CB LYS A 24 -6.047 3.266 -1.656 1.00 0.00 C ATOM 338 CG LYS A 24 -4.728 3.032 -0.940 1.00 0.00 C ATOM 339 CD LYS A 24 -4.238 4.294 -0.249 1.00 0.00 C ATOM 340 CE LYS A 24 -3.334 5.112 -1.159 1.00 0.00 C ATOM 341 NZ LYS A 24 -2.410 5.985 -0.383 1.00 0.00 N ATOM 0 H LYS A 24 -9.164 3.752 -1.426 1.00 0.00 H new ATOM 0 HA LYS A 24 -6.987 3.264 0.278 1.00 0.00 H new ATOM 0 HB2 LYS A 24 -6.322 2.361 -2.197 1.00 0.00 H new ATOM 0 HB3 LYS A 24 -5.913 4.053 -2.398 1.00 0.00 H new ATOM 0 HG2 LYS A 24 -4.848 2.236 -0.205 1.00 0.00 H new ATOM 0 HG3 LYS A 24 -3.979 2.694 -1.656 1.00 0.00 H new ATOM 0 HD2 LYS A 24 -5.092 4.898 0.056 1.00 0.00 H new ATOM 0 HD3 LYS A 24 -3.697 4.027 0.659 1.00 0.00 H new ATOM 0 HE2 LYS A 24 -2.754 4.441 -1.793 1.00 0.00 H new ATOM 0 HE3 LYS A 24 -3.945 5.727 -1.820 1.00 0.00 H new ATOM 0 HZ1 LYS A 24 -1.536 6.135 -0.926 1.00 0.00 H new ATOM 0 HZ2 LYS A 24 -2.867 6.901 -0.203 1.00 0.00 H new ATOM 0 HZ3 LYS A 24 -2.180 5.529 0.523 1.00 0.00 H new ATOM 355 N PHE A 25 -7.316 5.690 0.593 1.00 0.00 N ATOM 356 CA PHE A 25 -7.415 7.129 0.813 1.00 0.00 C ATOM 357 C PHE A 25 -6.059 7.802 0.622 1.00 0.00 C ATOM 358 O PHE A 25 -5.149 7.634 1.435 1.00 0.00 O ATOM 359 CB PHE A 25 -7.946 7.415 2.219 1.00 0.00 C ATOM 360 CG PHE A 25 -8.706 8.706 2.321 1.00 0.00 C ATOM 361 CD1 PHE A 25 -9.840 8.921 1.554 1.00 0.00 C ATOM 362 CD2 PHE A 25 -8.287 9.706 3.184 1.00 0.00 C ATOM 363 CE1 PHE A 25 -10.542 10.107 1.646 1.00 0.00 C ATOM 364 CE2 PHE A 25 -8.986 10.895 3.280 1.00 0.00 C ATOM 365 CZ PHE A 25 -10.114 11.096 2.509 1.00 0.00 C ATOM 0 H PHE A 25 -7.262 5.135 1.447 1.00 0.00 H new ATOM 0 HA PHE A 25 -8.110 7.538 0.080 1.00 0.00 H new ATOM 0 HB2 PHE A 25 -8.595 6.595 2.527 1.00 0.00 H new ATOM 0 HB3 PHE A 25 -7.109 7.439 2.917 1.00 0.00 H new ATOM 0 HD1 PHE A 25 -10.179 8.152 0.876 1.00 0.00 H new ATOM 0 HD2 PHE A 25 -7.405 9.555 3.788 1.00 0.00 H new ATOM 0 HE1 PHE A 25 -11.425 10.261 1.043 1.00 0.00 H new ATOM 0 HE2 PHE A 25 -8.650 11.666 3.957 1.00 0.00 H new ATOM 0 HZ PHE A 25 -10.660 12.025 2.581 1.00 0.00 H new ATOM 375 N LEU A 26 -5.931 8.565 -0.458 1.00 0.00 N ATOM 376 CA LEU A 26 -4.687 9.264 -0.757 1.00 0.00 C ATOM 377 C LEU A 26 -4.891 10.776 -0.728 1.00 0.00 C ATOM 378 O LEU A 26 -5.687 11.319 -1.494 1.00 0.00 O ATOM 379 CB LEU A 26 -4.155 8.837 -2.126 1.00 0.00 C ATOM 380 CG LEU A 26 -3.406 9.908 -2.920 1.00 0.00 C ATOM 381 CD1 LEU A 26 -2.104 10.275 -2.225 1.00 0.00 C ATOM 382 CD2 LEU A 26 -3.139 9.429 -4.340 1.00 0.00 C ATOM 0 H LEU A 26 -6.674 8.715 -1.141 1.00 0.00 H new ATOM 0 HA LEU A 26 -3.958 8.999 0.009 1.00 0.00 H new ATOM 0 HB2 LEU A 26 -3.489 7.986 -1.985 1.00 0.00 H new ATOM 0 HB3 LEU A 26 -4.995 8.489 -2.727 1.00 0.00 H new ATOM 0 HG LEU A 26 -4.031 10.800 -2.970 1.00 0.00 H new ATOM 0 HD11 LEU A 26 -1.585 11.038 -2.805 1.00 0.00 H new ATOM 0 HD12 LEU A 26 -2.320 10.660 -1.228 1.00 0.00 H new ATOM 0 HD13 LEU A 26 -1.473 9.390 -2.143 1.00 0.00 H new ATOM 0 HD21 LEU A 26 -2.605 10.203 -4.891 1.00 0.00 H new ATOM 0 HD22 LEU A 26 -2.534 8.523 -4.311 1.00 0.00 H new ATOM 0 HD23 LEU A 26 -4.086 9.218 -4.837 1.00 0.00 H new ATOM 394 N TRP A 27 -4.166 11.448 0.158 1.00 0.00 N ATOM 395 CA TRP A 27 -4.266 12.898 0.285 1.00 0.00 C ATOM 396 C TRP A 27 -2.923 13.504 0.678 1.00 0.00 C ATOM 397 O TRP A 27 -1.999 12.790 1.070 1.00 0.00 O ATOM 398 CB TRP A 27 -5.329 13.267 1.321 1.00 0.00 C ATOM 399 CG TRP A 27 -4.979 12.834 2.712 1.00 0.00 C ATOM 400 CD1 TRP A 27 -3.898 12.089 3.091 1.00 0.00 C ATOM 401 CD2 TRP A 27 -5.713 13.117 3.908 1.00 0.00 C ATOM 402 NE1 TRP A 27 -3.917 11.892 4.451 1.00 0.00 N ATOM 403 CE2 TRP A 27 -5.019 12.513 4.976 1.00 0.00 C ATOM 404 CE3 TRP A 27 -6.887 13.823 4.182 1.00 0.00 C ATOM 405 CZ2 TRP A 27 -5.463 12.595 6.293 1.00 0.00 C ATOM 406 CZ3 TRP A 27 -7.327 13.903 5.490 1.00 0.00 C ATOM 407 CH2 TRP A 27 -6.616 13.292 6.532 1.00 0.00 C ATOM 0 H TRP A 27 -3.503 11.013 0.799 1.00 0.00 H new ATOM 0 HA TRP A 27 -4.557 13.304 -0.684 1.00 0.00 H new ATOM 0 HB2 TRP A 27 -5.476 14.347 1.311 1.00 0.00 H new ATOM 0 HB3 TRP A 27 -6.278 12.813 1.035 1.00 0.00 H new ATOM 0 HD1 TRP A 27 -3.140 11.711 2.421 1.00 0.00 H new ATOM 0 HE1 TRP A 27 -3.223 11.368 4.983 1.00 0.00 H new ATOM 0 HE3 TRP A 27 -7.441 14.298 3.386 1.00 0.00 H new ATOM 0 HZ2 TRP A 27 -4.917 12.125 7.097 1.00 0.00 H new ATOM 0 HZ3 TRP A 27 -8.234 14.445 5.713 1.00 0.00 H new ATOM 0 HH2 TRP A 27 -6.986 13.373 7.544 1.00 0.00 H new ATOM 418 N CYS A 28 -2.821 14.824 0.572 1.00 0.00 N ATOM 419 CA CYS A 28 -1.591 15.527 0.916 1.00 0.00 C ATOM 420 C CYS A 28 -1.255 15.345 2.393 1.00 0.00 C ATOM 421 O CYS A 28 -2.054 14.808 3.160 1.00 0.00 O ATOM 422 CB CYS A 28 -1.722 17.016 0.591 1.00 0.00 C ATOM 423 SG CYS A 28 -1.676 17.396 -1.190 1.00 0.00 S ATOM 0 H CYS A 28 -3.576 15.429 0.250 1.00 0.00 H new ATOM 0 HA CYS A 28 -0.781 15.102 0.323 1.00 0.00 H new ATOM 0 HB2 CYS A 28 -2.659 17.386 1.006 1.00 0.00 H new ATOM 0 HB3 CYS A 28 -0.917 17.557 1.088 1.00 0.00 H new ATOM 428 N ALA A 29 -0.068 15.795 2.784 1.00 0.00 N ATOM 429 CA ALA A 29 0.373 15.684 4.169 1.00 0.00 C ATOM 430 C ALA A 29 0.129 16.983 4.929 1.00 0.00 C ATOM 431 O ALA A 29 0.480 17.101 6.103 1.00 0.00 O ATOM 432 CB ALA A 29 1.846 15.305 4.226 1.00 0.00 C ATOM 0 H ALA A 29 0.606 16.240 2.161 1.00 0.00 H new ATOM 0 HA ALA A 29 -0.211 14.898 4.648 1.00 0.00 H new ATOM 0 HB1 ALA A 29 2.161 15.226 5.266 1.00 0.00 H new ATOM 0 HB2 ALA A 29 1.995 14.347 3.728 1.00 0.00 H new ATOM 0 HB3 ALA A 29 2.438 16.070 3.725 1.00 0.00 H new ATOM 438 N GLN A 30 -0.473 17.955 4.252 1.00 0.00 N ATOM 439 CA GLN A 30 -0.762 19.246 4.864 1.00 0.00 C ATOM 440 C GLN A 30 -2.223 19.633 4.656 1.00 0.00 C ATOM 441 O GLN A 30 -2.971 19.813 5.618 1.00 0.00 O ATOM 442 CB GLN A 30 0.151 20.326 4.281 1.00 0.00 C ATOM 443 CG GLN A 30 0.664 20.002 2.887 1.00 0.00 C ATOM 444 CD GLN A 30 1.588 21.073 2.342 1.00 0.00 C ATOM 445 OE1 GLN A 30 2.611 20.772 1.725 1.00 0.00 O ATOM 446 NE2 GLN A 30 1.233 22.333 2.567 1.00 0.00 N ATOM 0 H GLN A 30 -0.770 17.873 3.280 1.00 0.00 H new ATOM 0 HA GLN A 30 -0.576 19.161 5.935 1.00 0.00 H new ATOM 0 HB2 GLN A 30 -0.392 21.270 4.249 1.00 0.00 H new ATOM 0 HB3 GLN A 30 1.001 20.470 4.948 1.00 0.00 H new ATOM 0 HG2 GLN A 30 1.193 19.049 2.911 1.00 0.00 H new ATOM 0 HG3 GLN A 30 -0.183 19.880 2.212 1.00 0.00 H new ATOM 0 HE21 GLN A 30 0.377 22.537 3.083 1.00 0.00 H new ATOM 0 HE22 GLN A 30 1.816 23.096 2.224 1.00 0.00 H new ATOM 455 N CYS A 31 -2.623 19.758 3.396 1.00 0.00 N ATOM 456 CA CYS A 31 -3.994 20.123 3.061 1.00 0.00 C ATOM 457 C CYS A 31 -4.956 18.985 3.388 1.00 0.00 C ATOM 458 O CYS A 31 -6.167 19.188 3.479 1.00 0.00 O ATOM 459 CB CYS A 31 -4.100 20.485 1.578 1.00 0.00 C ATOM 460 SG CYS A 31 -4.533 19.082 0.500 1.00 0.00 S ATOM 0 H CYS A 31 -2.017 19.612 2.589 1.00 0.00 H new ATOM 0 HA CYS A 31 -4.269 20.991 3.661 1.00 0.00 H new ATOM 0 HB2 CYS A 31 -4.850 21.266 1.458 1.00 0.00 H new ATOM 0 HB3 CYS A 31 -3.149 20.903 1.248 1.00 0.00 H new ATOM 465 N SER A 32 -4.408 17.787 3.564 1.00 0.00 N ATOM 466 CA SER A 32 -5.217 16.615 3.878 1.00 0.00 C ATOM 467 C SER A 32 -6.565 16.679 3.167 1.00 0.00 C ATOM 468 O SER A 32 -7.616 16.519 3.788 1.00 0.00 O ATOM 469 CB SER A 32 -5.430 16.506 5.389 1.00 0.00 C ATOM 470 OG SER A 32 -6.531 17.294 5.808 1.00 0.00 O ATOM 0 H SER A 32 -3.407 17.602 3.495 1.00 0.00 H new ATOM 0 HA SER A 32 -4.683 15.731 3.529 1.00 0.00 H new ATOM 0 HB2 SER A 32 -5.600 15.464 5.661 1.00 0.00 H new ATOM 0 HB3 SER A 32 -4.529 16.829 5.910 1.00 0.00 H new ATOM 0 HG SER A 32 -7.358 16.928 5.430 1.00 0.00 H new ATOM 476 N PHE A 33 -6.527 16.915 1.860 1.00 0.00 N ATOM 477 CA PHE A 33 -7.745 17.001 1.062 1.00 0.00 C ATOM 478 C PHE A 33 -8.624 15.773 1.277 1.00 0.00 C ATOM 479 O PHE A 33 -9.720 15.869 1.826 1.00 0.00 O ATOM 480 CB PHE A 33 -7.399 17.143 -0.422 1.00 0.00 C ATOM 481 CG PHE A 33 -8.410 17.934 -1.200 1.00 0.00 C ATOM 482 CD1 PHE A 33 -8.919 19.120 -0.695 1.00 0.00 C ATOM 483 CD2 PHE A 33 -8.852 17.493 -2.437 1.00 0.00 C ATOM 484 CE1 PHE A 33 -9.850 19.850 -1.410 1.00 0.00 C ATOM 485 CE2 PHE A 33 -9.783 18.219 -3.156 1.00 0.00 C ATOM 486 CZ PHE A 33 -10.282 19.400 -2.642 1.00 0.00 C ATOM 0 H PHE A 33 -5.666 17.050 1.330 1.00 0.00 H new ATOM 0 HA PHE A 33 -8.299 17.883 1.384 1.00 0.00 H new ATOM 0 HB2 PHE A 33 -6.425 17.622 -0.515 1.00 0.00 H new ATOM 0 HB3 PHE A 33 -7.309 16.150 -0.863 1.00 0.00 H new ATOM 0 HD1 PHE A 33 -8.585 19.478 0.268 1.00 0.00 H new ATOM 0 HD2 PHE A 33 -8.464 16.571 -2.844 1.00 0.00 H new ATOM 0 HE1 PHE A 33 -10.240 20.772 -1.005 1.00 0.00 H new ATOM 0 HE2 PHE A 33 -10.120 17.863 -4.118 1.00 0.00 H new ATOM 0 HZ PHE A 33 -11.008 19.970 -3.202 1.00 0.00 H new ATOM 496 N GLY A 34 -8.133 14.617 0.838 1.00 0.00 N ATOM 497 CA GLY A 34 -8.887 13.386 0.990 1.00 0.00 C ATOM 498 C GLY A 34 -9.531 12.937 -0.307 1.00 0.00 C ATOM 499 O GLY A 34 -10.691 13.252 -0.573 1.00 0.00 O ATOM 0 H GLY A 34 -7.228 14.512 0.380 1.00 0.00 H new ATOM 0 HA2 GLY A 34 -8.225 12.601 1.354 1.00 0.00 H new ATOM 0 HA3 GLY A 34 -9.660 13.528 1.746 1.00 0.00 H new ATOM 503 N PHE A 35 -8.777 12.202 -1.117 1.00 0.00 N ATOM 504 CA PHE A 35 -9.281 11.711 -2.394 1.00 0.00 C ATOM 505 C PHE A 35 -8.665 10.358 -2.739 1.00 0.00 C ATOM 506 O PHE A 35 -7.566 10.033 -2.289 1.00 0.00 O ATOM 507 CB PHE A 35 -8.982 12.719 -3.506 1.00 0.00 C ATOM 508 CG PHE A 35 -7.514 12.965 -3.712 1.00 0.00 C ATOM 509 CD1 PHE A 35 -6.824 13.840 -2.889 1.00 0.00 C ATOM 510 CD2 PHE A 35 -6.826 12.323 -4.729 1.00 0.00 C ATOM 511 CE1 PHE A 35 -5.473 14.069 -3.075 1.00 0.00 C ATOM 512 CE2 PHE A 35 -5.476 12.548 -4.919 1.00 0.00 C ATOM 513 CZ PHE A 35 -4.799 13.423 -4.092 1.00 0.00 C ATOM 0 H PHE A 35 -7.815 11.933 -0.912 1.00 0.00 H new ATOM 0 HA PHE A 35 -10.360 11.587 -2.306 1.00 0.00 H new ATOM 0 HB2 PHE A 35 -9.417 12.359 -4.439 1.00 0.00 H new ATOM 0 HB3 PHE A 35 -9.471 13.664 -3.270 1.00 0.00 H new ATOM 0 HD1 PHE A 35 -7.347 14.349 -2.093 1.00 0.00 H new ATOM 0 HD2 PHE A 35 -7.351 11.639 -5.380 1.00 0.00 H new ATOM 0 HE1 PHE A 35 -4.946 14.752 -2.426 1.00 0.00 H new ATOM 0 HE2 PHE A 35 -4.950 12.040 -5.714 1.00 0.00 H new ATOM 0 HZ PHE A 35 -3.744 13.601 -4.241 1.00 0.00 H new ATOM 523 N ILE A 36 -9.381 9.575 -3.538 1.00 0.00 N ATOM 524 CA ILE A 36 -8.905 8.258 -3.943 1.00 0.00 C ATOM 525 C ILE A 36 -8.101 8.338 -5.237 1.00 0.00 C ATOM 526 O ILE A 36 -8.255 9.278 -6.018 1.00 0.00 O ATOM 527 CB ILE A 36 -10.072 7.272 -4.137 1.00 0.00 C ATOM 528 CG1 ILE A 36 -10.967 7.257 -2.897 1.00 0.00 C ATOM 529 CG2 ILE A 36 -9.543 5.877 -4.433 1.00 0.00 C ATOM 530 CD1 ILE A 36 -10.240 6.858 -1.632 1.00 0.00 C ATOM 0 H ILE A 36 -10.293 9.829 -3.918 1.00 0.00 H new ATOM 0 HA ILE A 36 -8.263 7.894 -3.141 1.00 0.00 H new ATOM 0 HB ILE A 36 -10.669 7.601 -4.988 1.00 0.00 H new ATOM 0 HG12 ILE A 36 -11.401 8.247 -2.760 1.00 0.00 H new ATOM 0 HG13 ILE A 36 -11.794 6.567 -3.064 1.00 0.00 H new ATOM 0 HG21 ILE A 36 -10.380 5.192 -4.568 1.00 0.00 H new ATOM 0 HG22 ILE A 36 -8.943 5.901 -5.343 1.00 0.00 H new ATOM 0 HG23 ILE A 36 -8.926 5.538 -3.601 1.00 0.00 H new ATOM 0 HD11 ILE A 36 -10.936 6.869 -0.793 1.00 0.00 H new ATOM 0 HD12 ILE A 36 -9.829 5.855 -1.749 1.00 0.00 H new ATOM 0 HD13 ILE A 36 -9.430 7.562 -1.440 1.00 0.00 H new ATOM 542 N TYR A 37 -7.246 7.346 -5.458 1.00 0.00 N ATOM 543 CA TYR A 37 -6.418 7.304 -6.657 1.00 0.00 C ATOM 544 C TYR A 37 -6.458 5.921 -7.299 1.00 0.00 C ATOM 545 O TYR A 37 -6.379 5.790 -8.520 1.00 0.00 O ATOM 546 CB TYR A 37 -4.974 7.679 -6.318 1.00 0.00 C ATOM 547 CG TYR A 37 -4.161 6.527 -5.773 1.00 0.00 C ATOM 548 CD1 TYR A 37 -4.561 5.850 -4.627 1.00 0.00 C ATOM 549 CD2 TYR A 37 -2.993 6.115 -6.403 1.00 0.00 C ATOM 550 CE1 TYR A 37 -3.821 4.796 -4.125 1.00 0.00 C ATOM 551 CE2 TYR A 37 -2.248 5.062 -5.909 1.00 0.00 C ATOM 552 CZ TYR A 37 -2.666 4.406 -4.770 1.00 0.00 C ATOM 553 OH TYR A 37 -1.926 3.358 -4.273 1.00 0.00 O ATOM 0 H TYR A 37 -7.108 6.560 -4.822 1.00 0.00 H new ATOM 0 HA TYR A 37 -6.817 8.027 -7.369 1.00 0.00 H new ATOM 0 HB2 TYR A 37 -4.488 8.064 -7.214 1.00 0.00 H new ATOM 0 HB3 TYR A 37 -4.980 8.487 -5.586 1.00 0.00 H new ATOM 0 HD1 TYR A 37 -5.465 6.153 -4.120 1.00 0.00 H new ATOM 0 HD2 TYR A 37 -2.662 6.627 -7.294 1.00 0.00 H new ATOM 0 HE1 TYR A 37 -4.145 4.281 -3.233 1.00 0.00 H new ATOM 0 HE2 TYR A 37 -1.343 4.754 -6.412 1.00 0.00 H new ATOM 0 HH TYR A 37 -1.144 3.210 -4.844 1.00 0.00 H new ATOM 563 N GLU A 38 -6.584 4.893 -6.466 1.00 0.00 N ATOM 564 CA GLU A 38 -6.635 3.519 -6.953 1.00 0.00 C ATOM 565 C GLU A 38 -5.852 3.372 -8.254 1.00 0.00 C ATOM 566 O GLU A 38 -6.347 2.805 -9.228 1.00 0.00 O ATOM 567 CB GLU A 38 -8.087 3.084 -7.167 1.00 0.00 C ATOM 568 CG GLU A 38 -8.749 2.536 -5.914 1.00 0.00 C ATOM 569 CD GLU A 38 -10.167 2.059 -6.164 1.00 0.00 C ATOM 570 OE1 GLU A 38 -11.006 2.887 -6.577 1.00 0.00 O ATOM 571 OE2 GLU A 38 -10.437 0.860 -5.947 1.00 0.00 O ATOM 0 H GLU A 38 -6.653 4.985 -5.452 1.00 0.00 H new ATOM 0 HA GLU A 38 -6.177 2.877 -6.200 1.00 0.00 H new ATOM 0 HB2 GLU A 38 -8.663 3.936 -7.529 1.00 0.00 H new ATOM 0 HB3 GLU A 38 -8.118 2.323 -7.947 1.00 0.00 H new ATOM 0 HG2 GLU A 38 -8.155 1.709 -5.526 1.00 0.00 H new ATOM 0 HG3 GLU A 38 -8.760 3.309 -5.146 1.00 0.00 H new ATOM 578 N ARG A 39 -4.627 3.889 -8.262 1.00 0.00 N ATOM 579 CA ARG A 39 -3.776 3.817 -9.443 1.00 0.00 C ATOM 580 C ARG A 39 -2.542 2.961 -9.172 1.00 0.00 C ATOM 581 O ARG A 39 -2.338 2.485 -8.056 1.00 0.00 O ATOM 582 CB ARG A 39 -3.350 5.222 -9.876 1.00 0.00 C ATOM 583 CG ARG A 39 -4.280 5.850 -10.901 1.00 0.00 C ATOM 584 CD ARG A 39 -3.808 7.238 -11.305 1.00 0.00 C ATOM 585 NE ARG A 39 -4.877 8.024 -11.915 1.00 0.00 N ATOM 586 CZ ARG A 39 -4.793 9.331 -12.136 1.00 0.00 C ATOM 587 NH1 ARG A 39 -3.697 9.995 -11.798 1.00 0.00 N ATOM 588 NH2 ARG A 39 -5.809 9.977 -12.695 1.00 0.00 N ATOM 0 H ARG A 39 -4.203 4.362 -7.464 1.00 0.00 H new ATOM 0 HA ARG A 39 -4.349 3.354 -10.246 1.00 0.00 H new ATOM 0 HB2 ARG A 39 -3.303 5.866 -8.997 1.00 0.00 H new ATOM 0 HB3 ARG A 39 -2.343 5.176 -10.291 1.00 0.00 H new ATOM 0 HG2 ARG A 39 -4.335 5.212 -11.783 1.00 0.00 H new ATOM 0 HG3 ARG A 39 -5.287 5.913 -10.490 1.00 0.00 H new ATOM 0 HD2 ARG A 39 -3.429 7.762 -10.427 1.00 0.00 H new ATOM 0 HD3 ARG A 39 -2.978 7.149 -12.006 1.00 0.00 H new ATOM 0 HE ARG A 39 -5.735 7.543 -12.186 1.00 0.00 H new ATOM 0 HH11 ARG A 39 -2.915 9.502 -11.367 1.00 0.00 H new ATOM 0 HH12 ARG A 39 -3.636 10.999 -11.969 1.00 0.00 H new ATOM 0 HH21 ARG A 39 -6.655 9.470 -12.955 1.00 0.00 H new ATOM 0 HH22 ARG A 39 -5.744 10.981 -12.864 1.00 0.00 H new ATOM 602 N GLU A 40 -1.723 2.771 -10.202 1.00 0.00 N ATOM 603 CA GLU A 40 -0.510 1.971 -10.075 1.00 0.00 C ATOM 604 C GLU A 40 0.721 2.865 -9.956 1.00 0.00 C ATOM 605 O GLU A 40 1.637 2.575 -9.187 1.00 0.00 O ATOM 606 CB GLU A 40 -0.361 1.036 -11.278 1.00 0.00 C ATOM 607 CG GLU A 40 -1.675 0.437 -11.750 1.00 0.00 C ATOM 608 CD GLU A 40 -1.527 -0.355 -13.035 1.00 0.00 C ATOM 609 OE1 GLU A 40 -1.008 -1.489 -12.975 1.00 0.00 O ATOM 610 OE2 GLU A 40 -1.928 0.160 -14.099 1.00 0.00 O ATOM 0 H GLU A 40 -1.877 3.160 -11.132 1.00 0.00 H new ATOM 0 HA GLU A 40 -0.593 1.373 -9.167 1.00 0.00 H new ATOM 0 HB2 GLU A 40 0.094 1.587 -12.101 1.00 0.00 H new ATOM 0 HB3 GLU A 40 0.324 0.229 -11.018 1.00 0.00 H new ATOM 0 HG2 GLU A 40 -2.074 -0.213 -10.971 1.00 0.00 H new ATOM 0 HG3 GLU A 40 -2.401 1.236 -11.902 1.00 0.00 H new ATOM 617 N GLN A 41 0.733 3.950 -10.722 1.00 0.00 N ATOM 618 CA GLN A 41 1.852 4.886 -10.703 1.00 0.00 C ATOM 619 C GLN A 41 1.986 5.546 -9.335 1.00 0.00 C ATOM 620 O GLN A 41 0.989 5.882 -8.695 1.00 0.00 O ATOM 621 CB GLN A 41 1.669 5.954 -11.782 1.00 0.00 C ATOM 622 CG GLN A 41 0.468 6.856 -11.548 1.00 0.00 C ATOM 623 CD GLN A 41 0.090 7.656 -12.779 1.00 0.00 C ATOM 624 OE1 GLN A 41 0.286 7.208 -13.909 1.00 0.00 O ATOM 625 NE2 GLN A 41 -0.457 8.848 -12.566 1.00 0.00 N ATOM 0 H GLN A 41 -0.018 4.203 -11.363 1.00 0.00 H new ATOM 0 HA GLN A 41 2.765 4.326 -10.907 1.00 0.00 H new ATOM 0 HB2 GLN A 41 2.569 6.567 -11.831 1.00 0.00 H new ATOM 0 HB3 GLN A 41 1.563 5.466 -12.751 1.00 0.00 H new ATOM 0 HG2 GLN A 41 -0.383 6.249 -11.239 1.00 0.00 H new ATOM 0 HG3 GLN A 41 0.686 7.540 -10.728 1.00 0.00 H new ATOM 0 HE21 GLN A 41 -0.601 9.180 -11.612 1.00 0.00 H new ATOM 0 HE22 GLN A 41 -0.733 9.431 -13.356 1.00 0.00 H new ATOM 634 N LEU A 42 3.225 5.728 -8.891 1.00 0.00 N ATOM 635 CA LEU A 42 3.491 6.348 -7.598 1.00 0.00 C ATOM 636 C LEU A 42 3.467 7.869 -7.708 1.00 0.00 C ATOM 637 O LEU A 42 4.048 8.569 -6.879 1.00 0.00 O ATOM 638 CB LEU A 42 4.845 5.885 -7.057 1.00 0.00 C ATOM 639 CG LEU A 42 4.831 4.607 -6.218 1.00 0.00 C ATOM 640 CD1 LEU A 42 6.185 3.916 -6.275 1.00 0.00 C ATOM 641 CD2 LEU A 42 4.450 4.919 -4.778 1.00 0.00 C ATOM 0 H LEU A 42 4.061 5.455 -9.408 1.00 0.00 H new ATOM 0 HA LEU A 42 2.706 6.040 -6.907 1.00 0.00 H new ATOM 0 HB2 LEU A 42 5.519 5.735 -7.901 1.00 0.00 H new ATOM 0 HB3 LEU A 42 5.266 6.688 -6.452 1.00 0.00 H new ATOM 0 HG LEU A 42 4.083 3.931 -6.633 1.00 0.00 H new ATOM 0 HD11 LEU A 42 6.156 3.008 -5.672 1.00 0.00 H new ATOM 0 HD12 LEU A 42 6.419 3.658 -7.308 1.00 0.00 H new ATOM 0 HD13 LEU A 42 6.952 4.586 -5.886 1.00 0.00 H new ATOM 0 HD21 LEU A 42 4.445 3.998 -4.195 1.00 0.00 H new ATOM 0 HD22 LEU A 42 5.174 5.614 -4.352 1.00 0.00 H new ATOM 0 HD23 LEU A 42 3.458 5.369 -4.754 1.00 0.00 H new ATOM 653 N GLU A 43 2.790 8.372 -8.735 1.00 0.00 N ATOM 654 CA GLU A 43 2.690 9.811 -8.951 1.00 0.00 C ATOM 655 C GLU A 43 1.236 10.271 -8.886 1.00 0.00 C ATOM 656 O GLU A 43 0.439 9.973 -9.774 1.00 0.00 O ATOM 657 CB GLU A 43 3.295 10.189 -10.305 1.00 0.00 C ATOM 658 CG GLU A 43 4.785 10.482 -10.245 1.00 0.00 C ATOM 659 CD GLU A 43 5.284 11.218 -11.473 1.00 0.00 C ATOM 660 OE1 GLU A 43 4.766 12.318 -11.758 1.00 0.00 O ATOM 661 OE2 GLU A 43 6.195 10.694 -12.148 1.00 0.00 O ATOM 0 H GLU A 43 2.303 7.806 -9.430 1.00 0.00 H new ATOM 0 HA GLU A 43 3.248 10.311 -8.159 1.00 0.00 H new ATOM 0 HB2 GLU A 43 3.121 9.377 -11.011 1.00 0.00 H new ATOM 0 HB3 GLU A 43 2.776 11.065 -10.693 1.00 0.00 H new ATOM 0 HG2 GLU A 43 4.999 11.077 -9.357 1.00 0.00 H new ATOM 0 HG3 GLU A 43 5.332 9.545 -10.140 1.00 0.00 H new ATOM 668 N ALA A 44 0.900 10.999 -7.826 1.00 0.00 N ATOM 669 CA ALA A 44 -0.456 11.502 -7.644 1.00 0.00 C ATOM 670 C ALA A 44 -0.482 13.027 -7.651 1.00 0.00 C ATOM 671 O ALA A 44 0.378 13.676 -7.054 1.00 0.00 O ATOM 672 CB ALA A 44 -1.048 10.968 -6.349 1.00 0.00 C ATOM 0 H ALA A 44 1.548 11.253 -7.081 1.00 0.00 H new ATOM 0 HA ALA A 44 -1.062 11.151 -8.479 1.00 0.00 H new ATOM 0 HB1 ALA A 44 -2.061 11.352 -6.226 1.00 0.00 H new ATOM 0 HB2 ALA A 44 -1.074 9.879 -6.383 1.00 0.00 H new ATOM 0 HB3 ALA A 44 -0.434 11.290 -5.508 1.00 0.00 H new ATOM 678 N THR A 45 -1.474 13.595 -8.330 1.00 0.00 N ATOM 679 CA THR A 45 -1.610 15.043 -8.416 1.00 0.00 C ATOM 680 C THR A 45 -2.842 15.525 -7.657 1.00 0.00 C ATOM 681 O THR A 45 -3.956 15.062 -7.903 1.00 0.00 O ATOM 682 CB THR A 45 -1.707 15.513 -9.879 1.00 0.00 C ATOM 683 OG1 THR A 45 -0.501 15.184 -10.579 1.00 0.00 O ATOM 684 CG2 THR A 45 -1.948 17.013 -9.952 1.00 0.00 C ATOM 0 H THR A 45 -2.195 13.073 -8.828 1.00 0.00 H new ATOM 0 HA THR A 45 -0.716 15.472 -7.963 1.00 0.00 H new ATOM 0 HB THR A 45 -2.550 15.003 -10.346 1.00 0.00 H new ATOM 0 HG1 THR A 45 -0.570 15.484 -11.509 1.00 0.00 H new ATOM 0 HG21 THR A 45 -2.013 17.321 -10.996 1.00 0.00 H new ATOM 0 HG22 THR A 45 -2.881 17.257 -9.443 1.00 0.00 H new ATOM 0 HG23 THR A 45 -1.124 17.538 -9.469 1.00 0.00 H new ATOM 692 N CYS A 46 -2.635 16.459 -6.734 1.00 0.00 N ATOM 693 CA CYS A 46 -3.728 17.004 -5.939 1.00 0.00 C ATOM 694 C CYS A 46 -4.670 17.834 -6.807 1.00 0.00 C ATOM 695 O CYS A 46 -4.244 18.633 -7.641 1.00 0.00 O ATOM 696 CB CYS A 46 -3.178 17.864 -4.799 1.00 0.00 C ATOM 697 SG CYS A 46 -4.179 17.810 -3.278 1.00 0.00 S ATOM 0 H CYS A 46 -1.720 16.854 -6.519 1.00 0.00 H new ATOM 0 HA CYS A 46 -4.289 16.170 -5.518 1.00 0.00 H new ATOM 0 HB2 CYS A 46 -2.165 17.536 -4.566 1.00 0.00 H new ATOM 0 HB3 CYS A 46 -3.108 18.897 -5.139 1.00 0.00 H new ATOM 702 N PRO A 47 -5.982 17.642 -6.607 1.00 0.00 N ATOM 703 CA PRO A 47 -7.012 18.363 -7.360 1.00 0.00 C ATOM 704 C PRO A 47 -7.073 19.841 -6.990 1.00 0.00 C ATOM 705 O PRO A 47 -7.710 20.637 -7.680 1.00 0.00 O ATOM 706 CB PRO A 47 -8.308 17.657 -6.955 1.00 0.00 C ATOM 707 CG PRO A 47 -8.019 17.075 -5.615 1.00 0.00 C ATOM 708 CD PRO A 47 -6.562 16.705 -5.629 1.00 0.00 C ATOM 0 HA PRO A 47 -6.819 18.346 -8.433 1.00 0.00 H new ATOM 0 HB2 PRO A 47 -9.143 18.356 -6.911 1.00 0.00 H new ATOM 0 HB3 PRO A 47 -8.578 16.883 -7.673 1.00 0.00 H new ATOM 0 HG2 PRO A 47 -8.231 17.794 -4.824 1.00 0.00 H new ATOM 0 HG3 PRO A 47 -8.642 16.200 -5.427 1.00 0.00 H new ATOM 0 HD2 PRO A 47 -6.109 16.820 -4.644 1.00 0.00 H new ATOM 0 HD3 PRO A 47 -6.414 15.668 -5.929 1.00 0.00 H new ATOM 716 N GLN A 48 -6.405 20.201 -5.899 1.00 0.00 N ATOM 717 CA GLN A 48 -6.384 21.584 -5.438 1.00 0.00 C ATOM 718 C GLN A 48 -4.964 22.142 -5.453 1.00 0.00 C ATOM 719 O GLN A 48 -4.748 23.309 -5.781 1.00 0.00 O ATOM 720 CB GLN A 48 -6.968 21.683 -4.028 1.00 0.00 C ATOM 721 CG GLN A 48 -6.157 20.939 -2.980 1.00 0.00 C ATOM 722 CD GLN A 48 -6.448 21.415 -1.570 1.00 0.00 C ATOM 723 OE1 GLN A 48 -6.433 22.614 -1.292 1.00 0.00 O ATOM 724 NE2 GLN A 48 -6.714 20.475 -0.671 1.00 0.00 N ATOM 0 H GLN A 48 -5.871 19.554 -5.318 1.00 0.00 H new ATOM 0 HA GLN A 48 -6.995 22.176 -6.119 1.00 0.00 H new ATOM 0 HB2 GLN A 48 -7.036 22.733 -3.745 1.00 0.00 H new ATOM 0 HB3 GLN A 48 -7.984 21.289 -4.036 1.00 0.00 H new ATOM 0 HG2 GLN A 48 -6.371 19.872 -3.051 1.00 0.00 H new ATOM 0 HG3 GLN A 48 -5.095 21.066 -3.190 1.00 0.00 H new ATOM 0 HE21 GLN A 48 -6.716 19.493 -0.946 1.00 0.00 H new ATOM 0 HE22 GLN A 48 -6.917 20.735 0.294 1.00 0.00 H new ATOM 733 N CYS A 49 -4.000 21.300 -5.097 1.00 0.00 N ATOM 734 CA CYS A 49 -2.601 21.708 -5.068 1.00 0.00 C ATOM 735 C CYS A 49 -1.921 21.413 -6.403 1.00 0.00 C ATOM 736 O CYS A 49 -0.921 22.039 -6.754 1.00 0.00 O ATOM 737 CB CYS A 49 -1.861 20.990 -3.937 1.00 0.00 C ATOM 738 SG CYS A 49 -2.691 21.101 -2.319 1.00 0.00 S ATOM 0 H CYS A 49 -4.162 20.331 -4.824 1.00 0.00 H new ATOM 0 HA CYS A 49 -2.566 22.783 -4.891 1.00 0.00 H new ATOM 0 HB2 CYS A 49 -1.745 19.939 -4.203 1.00 0.00 H new ATOM 0 HB3 CYS A 49 -0.859 21.409 -3.849 1.00 0.00 H new ATOM 743 N HIS A 50 -2.471 20.455 -7.142 1.00 0.00 N ATOM 744 CA HIS A 50 -1.919 20.077 -8.438 1.00 0.00 C ATOM 745 C HIS A 50 -0.427 19.779 -8.327 1.00 0.00 C ATOM 746 O HIS A 50 0.324 19.963 -9.284 1.00 0.00 O ATOM 747 CB HIS A 50 -2.154 21.190 -9.460 1.00 0.00 C ATOM 748 CG HIS A 50 -3.451 21.061 -10.198 1.00 0.00 C ATOM 749 ND1 HIS A 50 -3.576 21.310 -11.549 1.00 0.00 N ATOM 750 CD2 HIS A 50 -4.683 20.705 -9.767 1.00 0.00 C ATOM 751 CE1 HIS A 50 -4.830 21.115 -11.916 1.00 0.00 C ATOM 752 NE2 HIS A 50 -5.523 20.747 -10.853 1.00 0.00 N ATOM 0 H HIS A 50 -3.298 19.926 -6.866 1.00 0.00 H new ATOM 0 HA HIS A 50 -2.428 19.173 -8.773 1.00 0.00 H new ATOM 0 HB2 HIS A 50 -2.130 22.152 -8.949 1.00 0.00 H new ATOM 0 HB3 HIS A 50 -1.335 21.191 -10.179 1.00 0.00 H new ATOM 0 HD2 HIS A 50 -4.955 20.437 -8.757 1.00 0.00 H new ATOM 0 HE1 HIS A 50 -5.222 21.236 -12.915 1.00 0.00 H new ATOM 0 HE2 HIS A 50 -6.519 20.530 -10.841 1.00 0.00 H new ATOM 760 N GLN A 51 -0.006 19.319 -7.153 1.00 0.00 N ATOM 761 CA GLN A 51 1.396 18.998 -6.917 1.00 0.00 C ATOM 762 C GLN A 51 1.628 17.492 -6.982 1.00 0.00 C ATOM 763 O GLN A 51 0.786 16.704 -6.548 1.00 0.00 O ATOM 764 CB GLN A 51 1.844 19.537 -5.558 1.00 0.00 C ATOM 765 CG GLN A 51 3.302 19.249 -5.239 1.00 0.00 C ATOM 766 CD GLN A 51 3.777 19.959 -3.986 1.00 0.00 C ATOM 767 OE1 GLN A 51 3.999 21.170 -3.991 1.00 0.00 O ATOM 768 NE2 GLN A 51 3.935 19.207 -2.903 1.00 0.00 N ATOM 0 H GLN A 51 -0.616 19.160 -6.351 1.00 0.00 H new ATOM 0 HA GLN A 51 1.987 19.473 -7.700 1.00 0.00 H new ATOM 0 HB2 GLN A 51 1.681 20.614 -5.532 1.00 0.00 H new ATOM 0 HB3 GLN A 51 1.218 19.101 -4.779 1.00 0.00 H new ATOM 0 HG2 GLN A 51 3.438 18.174 -5.117 1.00 0.00 H new ATOM 0 HG3 GLN A 51 3.922 19.555 -6.082 1.00 0.00 H new ATOM 0 HE21 GLN A 51 3.739 18.207 -2.944 1.00 0.00 H new ATOM 0 HE22 GLN A 51 4.252 19.630 -2.030 1.00 0.00 H new ATOM 777 N THR A 52 2.774 17.096 -7.526 1.00 0.00 N ATOM 778 CA THR A 52 3.116 15.685 -7.649 1.00 0.00 C ATOM 779 C THR A 52 3.836 15.183 -6.402 1.00 0.00 C ATOM 780 O THR A 52 5.007 15.495 -6.182 1.00 0.00 O ATOM 781 CB THR A 52 4.004 15.427 -8.880 1.00 0.00 C ATOM 782 OG1 THR A 52 3.373 15.944 -10.057 1.00 0.00 O ATOM 783 CG2 THR A 52 4.270 13.939 -9.054 1.00 0.00 C ATOM 0 H THR A 52 3.482 17.734 -7.889 1.00 0.00 H new ATOM 0 HA THR A 52 2.178 15.142 -7.767 1.00 0.00 H new ATOM 0 HB THR A 52 4.956 15.935 -8.726 1.00 0.00 H new ATOM 0 HG1 THR A 52 3.945 15.777 -10.835 1.00 0.00 H new ATOM 0 HG21 THR A 52 4.899 13.782 -9.930 1.00 0.00 H new ATOM 0 HG22 THR A 52 4.777 13.554 -8.169 1.00 0.00 H new ATOM 0 HG23 THR A 52 3.324 13.414 -9.188 1.00 0.00 H new ATOM 791 N PHE A 53 3.131 14.404 -5.590 1.00 0.00 N ATOM 792 CA PHE A 53 3.704 13.859 -4.365 1.00 0.00 C ATOM 793 C PHE A 53 3.443 12.359 -4.263 1.00 0.00 C ATOM 794 O PHE A 53 2.410 11.864 -4.714 1.00 0.00 O ATOM 795 CB PHE A 53 3.122 14.573 -3.143 1.00 0.00 C ATOM 796 CG PHE A 53 1.681 14.241 -2.883 1.00 0.00 C ATOM 797 CD1 PHE A 53 0.670 14.906 -3.559 1.00 0.00 C ATOM 798 CD2 PHE A 53 1.337 13.262 -1.965 1.00 0.00 C ATOM 799 CE1 PHE A 53 -0.657 14.602 -3.321 1.00 0.00 C ATOM 800 CE2 PHE A 53 0.011 12.954 -1.723 1.00 0.00 C ATOM 801 CZ PHE A 53 -0.987 13.624 -2.403 1.00 0.00 C ATOM 0 H PHE A 53 2.161 14.135 -5.758 1.00 0.00 H new ATOM 0 HA PHE A 53 4.781 14.022 -4.394 1.00 0.00 H new ATOM 0 HB2 PHE A 53 3.711 14.310 -2.264 1.00 0.00 H new ATOM 0 HB3 PHE A 53 3.219 15.650 -3.281 1.00 0.00 H new ATOM 0 HD1 PHE A 53 0.922 15.670 -4.280 1.00 0.00 H new ATOM 0 HD2 PHE A 53 2.114 12.733 -1.432 1.00 0.00 H new ATOM 0 HE1 PHE A 53 -1.436 15.129 -3.853 1.00 0.00 H new ATOM 0 HE2 PHE A 53 -0.244 12.190 -1.003 1.00 0.00 H new ATOM 0 HZ PHE A 53 -2.023 13.384 -2.217 1.00 0.00 H new ATOM 811 N CYS A 54 4.388 11.639 -3.666 1.00 0.00 N ATOM 812 CA CYS A 54 4.263 10.196 -3.505 1.00 0.00 C ATOM 813 C CYS A 54 2.979 9.841 -2.760 1.00 0.00 C ATOM 814 O CYS A 54 2.512 10.599 -1.909 1.00 0.00 O ATOM 815 CB CYS A 54 5.473 9.639 -2.752 1.00 0.00 C ATOM 816 SG CYS A 54 5.629 7.826 -2.832 1.00 0.00 S ATOM 0 H CYS A 54 5.249 12.032 -3.286 1.00 0.00 H new ATOM 0 HA CYS A 54 4.223 9.747 -4.497 1.00 0.00 H new ATOM 0 HB2 CYS A 54 6.379 10.089 -3.158 1.00 0.00 H new ATOM 0 HB3 CYS A 54 5.408 9.942 -1.707 1.00 0.00 H new ATOM 821 N VAL A 55 2.413 8.683 -3.085 1.00 0.00 N ATOM 822 CA VAL A 55 1.185 8.226 -2.446 1.00 0.00 C ATOM 823 C VAL A 55 1.488 7.368 -1.223 1.00 0.00 C ATOM 824 O VAL A 55 0.583 6.988 -0.480 1.00 0.00 O ATOM 825 CB VAL A 55 0.312 7.417 -3.424 1.00 0.00 C ATOM 826 CG1 VAL A 55 -0.075 8.267 -4.624 1.00 0.00 C ATOM 827 CG2 VAL A 55 1.037 6.154 -3.865 1.00 0.00 C ATOM 0 H VAL A 55 2.786 8.044 -3.787 1.00 0.00 H new ATOM 0 HA VAL A 55 0.639 9.117 -2.134 1.00 0.00 H new ATOM 0 HB VAL A 55 -0.602 7.122 -2.909 1.00 0.00 H new ATOM 0 HG11 VAL A 55 -0.691 7.678 -5.303 1.00 0.00 H new ATOM 0 HG12 VAL A 55 -0.637 9.138 -4.287 1.00 0.00 H new ATOM 0 HG13 VAL A 55 0.826 8.595 -5.143 1.00 0.00 H new ATOM 0 HG21 VAL A 55 0.406 5.595 -4.556 1.00 0.00 H new ATOM 0 HG22 VAL A 55 1.969 6.424 -4.362 1.00 0.00 H new ATOM 0 HG23 VAL A 55 1.257 5.537 -2.993 1.00 0.00 H new ATOM 837 N ARG A 56 2.766 7.068 -1.019 1.00 0.00 N ATOM 838 CA ARG A 56 3.189 6.254 0.114 1.00 0.00 C ATOM 839 C ARG A 56 3.757 7.128 1.229 1.00 0.00 C ATOM 840 O ARG A 56 3.143 7.282 2.285 1.00 0.00 O ATOM 841 CB ARG A 56 4.235 5.229 -0.328 1.00 0.00 C ATOM 842 CG ARG A 56 3.638 3.989 -0.973 1.00 0.00 C ATOM 843 CD ARG A 56 4.720 3.020 -1.424 1.00 0.00 C ATOM 844 NE ARG A 56 4.168 1.725 -1.811 1.00 0.00 N ATOM 845 CZ ARG A 56 4.914 0.681 -2.154 1.00 0.00 C ATOM 846 NH1 ARG A 56 6.236 0.779 -2.158 1.00 0.00 N ATOM 847 NH2 ARG A 56 4.337 -0.465 -2.494 1.00 0.00 N ATOM 0 H ARG A 56 3.527 7.377 -1.624 1.00 0.00 H new ATOM 0 HA ARG A 56 2.315 5.728 0.497 1.00 0.00 H new ATOM 0 HB2 ARG A 56 4.919 5.701 -1.033 1.00 0.00 H new ATOM 0 HB3 ARG A 56 4.826 4.929 0.537 1.00 0.00 H new ATOM 0 HG2 ARG A 56 2.975 3.492 -0.264 1.00 0.00 H new ATOM 0 HG3 ARG A 56 3.029 4.280 -1.829 1.00 0.00 H new ATOM 0 HD2 ARG A 56 5.263 3.449 -2.266 1.00 0.00 H new ATOM 0 HD3 ARG A 56 5.441 2.881 -0.618 1.00 0.00 H new ATOM 0 HE ARG A 56 3.154 1.616 -1.818 1.00 0.00 H new ATOM 0 HH11 ARG A 56 6.683 1.658 -1.897 1.00 0.00 H new ATOM 0 HH12 ARG A 56 6.806 -0.025 -2.422 1.00 0.00 H new ATOM 0 HH21 ARG A 56 3.320 -0.544 -2.492 1.00 0.00 H new ATOM 0 HH22 ARG A 56 4.911 -1.266 -2.757 1.00 0.00 H new ATOM 861 N CYS A 57 4.933 7.697 0.987 1.00 0.00 N ATOM 862 CA CYS A 57 5.585 8.554 1.969 1.00 0.00 C ATOM 863 C CYS A 57 4.896 9.914 2.047 1.00 0.00 C ATOM 864 O CYS A 57 5.113 10.680 2.986 1.00 0.00 O ATOM 865 CB CYS A 57 7.062 8.738 1.616 1.00 0.00 C ATOM 866 SG CYS A 57 7.357 9.255 -0.105 1.00 0.00 S ATOM 0 H CYS A 57 5.454 7.580 0.118 1.00 0.00 H new ATOM 0 HA CYS A 57 5.509 8.071 2.943 1.00 0.00 H new ATOM 0 HB2 CYS A 57 7.495 9.481 2.286 1.00 0.00 H new ATOM 0 HB3 CYS A 57 7.587 7.800 1.797 1.00 0.00 H new ATOM 871 N LYS A 58 4.065 10.208 1.052 1.00 0.00 N ATOM 872 CA LYS A 58 3.343 11.473 1.007 1.00 0.00 C ATOM 873 C LYS A 58 4.310 12.653 1.016 1.00 0.00 C ATOM 874 O LYS A 58 4.088 13.644 1.711 1.00 0.00 O ATOM 875 CB LYS A 58 2.382 11.579 2.193 1.00 0.00 C ATOM 876 CG LYS A 58 1.360 10.457 2.250 1.00 0.00 C ATOM 877 CD LYS A 58 0.331 10.584 1.139 1.00 0.00 C ATOM 878 CE LYS A 58 -1.003 9.974 1.543 1.00 0.00 C ATOM 879 NZ LYS A 58 -0.869 8.536 1.903 1.00 0.00 N ATOM 0 H LYS A 58 3.875 9.586 0.266 1.00 0.00 H new ATOM 0 HA LYS A 58 2.771 11.502 0.080 1.00 0.00 H new ATOM 0 HB2 LYS A 58 2.959 11.581 3.118 1.00 0.00 H new ATOM 0 HB3 LYS A 58 1.859 12.534 2.141 1.00 0.00 H new ATOM 0 HG2 LYS A 58 1.868 9.496 2.169 1.00 0.00 H new ATOM 0 HG3 LYS A 58 0.857 10.471 3.217 1.00 0.00 H new ATOM 0 HD2 LYS A 58 0.191 11.636 0.890 1.00 0.00 H new ATOM 0 HD3 LYS A 58 0.701 10.090 0.241 1.00 0.00 H new ATOM 0 HE2 LYS A 58 -1.412 10.524 2.391 1.00 0.00 H new ATOM 0 HE3 LYS A 58 -1.713 10.078 0.723 1.00 0.00 H new ATOM 0 HZ1 LYS A 58 -1.814 8.123 2.041 1.00 0.00 H new ATOM 0 HZ2 LYS A 58 -0.378 8.031 1.138 1.00 0.00 H new ATOM 0 HZ3 LYS A 58 -0.321 8.448 2.783 1.00 0.00 H new ATOM 893 N ARG A 59 5.383 12.538 0.240 1.00 0.00 N ATOM 894 CA ARG A 59 6.384 13.595 0.160 1.00 0.00 C ATOM 895 C ARG A 59 6.571 14.058 -1.282 1.00 0.00 C ATOM 896 O ARG A 59 6.062 13.436 -2.214 1.00 0.00 O ATOM 897 CB ARG A 59 7.719 13.108 0.727 1.00 0.00 C ATOM 898 CG ARG A 59 8.644 12.511 -0.321 1.00 0.00 C ATOM 899 CD ARG A 59 9.980 12.104 0.282 1.00 0.00 C ATOM 900 NE ARG A 59 9.819 11.145 1.372 1.00 0.00 N ATOM 901 CZ ARG A 59 10.719 10.967 2.332 1.00 0.00 C ATOM 902 NH1 ARG A 59 11.837 11.680 2.338 1.00 0.00 N ATOM 903 NH2 ARG A 59 10.501 10.075 3.290 1.00 0.00 N ATOM 0 H ARG A 59 5.581 11.724 -0.342 1.00 0.00 H new ATOM 0 HA ARG A 59 6.032 14.439 0.753 1.00 0.00 H new ATOM 0 HB2 ARG A 59 8.224 13.943 1.212 1.00 0.00 H new ATOM 0 HB3 ARG A 59 7.526 12.361 1.497 1.00 0.00 H new ATOM 0 HG2 ARG A 59 8.168 11.642 -0.775 1.00 0.00 H new ATOM 0 HG3 ARG A 59 8.809 13.236 -1.118 1.00 0.00 H new ATOM 0 HD2 ARG A 59 10.610 11.669 -0.494 1.00 0.00 H new ATOM 0 HD3 ARG A 59 10.496 12.990 0.652 1.00 0.00 H new ATOM 0 HE ARG A 59 8.969 10.582 1.397 1.00 0.00 H new ATOM 0 HH11 ARG A 59 12.007 12.367 1.604 1.00 0.00 H new ATOM 0 HH12 ARG A 59 12.526 11.541 3.077 1.00 0.00 H new ATOM 0 HH21 ARG A 59 9.642 9.526 3.289 1.00 0.00 H new ATOM 0 HH22 ARG A 59 11.193 9.939 4.027 1.00 0.00 H new ATOM 917 N GLN A 60 7.303 15.154 -1.456 1.00 0.00 N ATOM 918 CA GLN A 60 7.555 15.701 -2.784 1.00 0.00 C ATOM 919 C GLN A 60 8.167 14.646 -3.700 1.00 0.00 C ATOM 920 O GLN A 60 9.295 14.203 -3.485 1.00 0.00 O ATOM 921 CB GLN A 60 8.483 16.913 -2.692 1.00 0.00 C ATOM 922 CG GLN A 60 8.252 17.941 -3.788 1.00 0.00 C ATOM 923 CD GLN A 60 9.220 19.105 -3.710 1.00 0.00 C ATOM 924 OE1 GLN A 60 10.279 19.090 -4.338 1.00 0.00 O ATOM 925 NE2 GLN A 60 8.861 20.123 -2.936 1.00 0.00 N ATOM 0 H GLN A 60 7.732 15.680 -0.695 1.00 0.00 H new ATOM 0 HA GLN A 60 6.601 16.014 -3.207 1.00 0.00 H new ATOM 0 HB2 GLN A 60 8.347 17.391 -1.722 1.00 0.00 H new ATOM 0 HB3 GLN A 60 9.517 16.572 -2.737 1.00 0.00 H new ATOM 0 HG2 GLN A 60 8.348 17.458 -4.760 1.00 0.00 H new ATOM 0 HG3 GLN A 60 7.231 18.317 -3.719 1.00 0.00 H new ATOM 0 HE21 GLN A 60 7.974 20.093 -2.433 1.00 0.00 H new ATOM 0 HE22 GLN A 60 9.472 20.934 -2.844 1.00 0.00 H new ATOM 934 N TRP A 61 7.415 14.248 -4.720 1.00 0.00 N ATOM 935 CA TRP A 61 7.884 13.244 -5.668 1.00 0.00 C ATOM 936 C TRP A 61 9.228 13.645 -6.266 1.00 0.00 C ATOM 937 O TRP A 61 9.546 14.830 -6.360 1.00 0.00 O ATOM 938 CB TRP A 61 6.855 13.046 -6.783 1.00 0.00 C ATOM 939 CG TRP A 61 7.157 11.875 -7.669 1.00 0.00 C ATOM 940 CD1 TRP A 61 7.458 11.911 -9.000 1.00 0.00 C ATOM 941 CD2 TRP A 61 7.185 10.496 -7.286 1.00 0.00 C ATOM 942 NE1 TRP A 61 7.672 10.637 -9.468 1.00 0.00 N ATOM 943 CE2 TRP A 61 7.511 9.751 -8.436 1.00 0.00 C ATOM 944 CE3 TRP A 61 6.968 9.818 -6.084 1.00 0.00 C ATOM 945 CZ2 TRP A 61 7.623 8.363 -8.417 1.00 0.00 C ATOM 946 CZ3 TRP A 61 7.080 8.440 -6.066 1.00 0.00 C ATOM 947 CH2 TRP A 61 7.405 7.725 -7.226 1.00 0.00 C ATOM 0 H TRP A 61 6.479 14.605 -4.912 1.00 0.00 H new ATOM 0 HA TRP A 61 8.013 12.305 -5.130 1.00 0.00 H new ATOM 0 HB2 TRP A 61 5.869 12.911 -6.338 1.00 0.00 H new ATOM 0 HB3 TRP A 61 6.810 13.950 -7.390 1.00 0.00 H new ATOM 0 HD1 TRP A 61 7.519 12.809 -9.597 1.00 0.00 H new ATOM 0 HE1 TRP A 61 7.912 10.391 -10.428 1.00 0.00 H new ATOM 0 HE3 TRP A 61 6.717 10.361 -5.185 1.00 0.00 H new ATOM 0 HZ2 TRP A 61 7.873 7.810 -9.310 1.00 0.00 H new ATOM 0 HZ3 TRP A 61 6.914 7.906 -5.142 1.00 0.00 H new ATOM 0 HH2 TRP A 61 7.485 6.649 -7.180 1.00 0.00 H new ATOM 958 N GLU A 62 10.013 12.651 -6.668 1.00 0.00 N ATOM 959 CA GLU A 62 11.323 12.902 -7.256 1.00 0.00 C ATOM 960 C GLU A 62 11.637 11.880 -8.344 1.00 0.00 C ATOM 961 O GLU A 62 11.385 10.687 -8.180 1.00 0.00 O ATOM 962 CB GLU A 62 12.407 12.863 -6.177 1.00 0.00 C ATOM 963 CG GLU A 62 13.809 13.102 -6.713 1.00 0.00 C ATOM 964 CD GLU A 62 14.716 13.769 -5.697 1.00 0.00 C ATOM 965 OE1 GLU A 62 15.131 13.090 -4.735 1.00 0.00 O ATOM 966 OE2 GLU A 62 15.010 14.971 -5.865 1.00 0.00 O ATOM 0 H GLU A 62 9.764 11.664 -6.597 1.00 0.00 H new ATOM 0 HA GLU A 62 11.305 13.894 -7.708 1.00 0.00 H new ATOM 0 HB2 GLU A 62 12.183 13.616 -5.421 1.00 0.00 H new ATOM 0 HB3 GLU A 62 12.378 11.894 -5.679 1.00 0.00 H new ATOM 0 HG2 GLU A 62 14.246 12.150 -7.015 1.00 0.00 H new ATOM 0 HG3 GLU A 62 13.751 13.724 -7.606 1.00 0.00 H new ATOM 973 N GLU A 63 12.188 12.357 -9.456 1.00 0.00 N ATOM 974 CA GLU A 63 12.534 11.485 -10.572 1.00 0.00 C ATOM 975 C GLU A 63 13.339 10.281 -10.091 1.00 0.00 C ATOM 976 O GLU A 63 13.188 9.174 -10.609 1.00 0.00 O ATOM 977 CB GLU A 63 13.332 12.258 -11.624 1.00 0.00 C ATOM 978 CG GLU A 63 12.484 13.208 -12.453 1.00 0.00 C ATOM 979 CD GLU A 63 13.316 14.232 -13.200 1.00 0.00 C ATOM 980 OE1 GLU A 63 13.949 15.080 -12.536 1.00 0.00 O ATOM 981 OE2 GLU A 63 13.335 14.186 -14.448 1.00 0.00 O ATOM 0 H GLU A 63 12.404 13.342 -9.608 1.00 0.00 H new ATOM 0 HA GLU A 63 11.608 11.126 -11.021 1.00 0.00 H new ATOM 0 HB2 GLU A 63 14.118 12.826 -11.127 1.00 0.00 H new ATOM 0 HB3 GLU A 63 13.823 11.548 -12.289 1.00 0.00 H new ATOM 0 HG2 GLU A 63 11.894 12.633 -13.167 1.00 0.00 H new ATOM 0 HG3 GLU A 63 11.780 13.724 -11.800 1.00 0.00 H new ATOM 988 N GLN A 64 14.194 10.506 -9.099 1.00 0.00 N ATOM 989 CA GLN A 64 15.024 9.440 -8.550 1.00 0.00 C ATOM 990 C GLN A 64 14.174 8.422 -7.796 1.00 0.00 C ATOM 991 O GLN A 64 14.494 7.233 -7.765 1.00 0.00 O ATOM 992 CB GLN A 64 16.089 10.023 -7.618 1.00 0.00 C ATOM 993 CG GLN A 64 16.853 11.190 -8.223 1.00 0.00 C ATOM 994 CD GLN A 64 18.036 10.743 -9.058 1.00 0.00 C ATOM 995 OE1 GLN A 64 19.024 10.229 -8.531 1.00 0.00 O ATOM 996 NE2 GLN A 64 17.943 10.936 -10.369 1.00 0.00 N ATOM 0 H GLN A 64 14.330 11.416 -8.659 1.00 0.00 H new ATOM 0 HA GLN A 64 15.516 8.932 -9.380 1.00 0.00 H new ATOM 0 HB2 GLN A 64 15.612 10.351 -6.695 1.00 0.00 H new ATOM 0 HB3 GLN A 64 16.795 9.237 -7.350 1.00 0.00 H new ATOM 0 HG2 GLN A 64 16.177 11.779 -8.843 1.00 0.00 H new ATOM 0 HG3 GLN A 64 17.203 11.843 -7.424 1.00 0.00 H new ATOM 0 HE21 GLN A 64 17.106 11.365 -10.763 1.00 0.00 H new ATOM 0 HE22 GLN A 64 18.709 10.655 -10.981 1.00 0.00 H new ATOM 1005 N HIS A 65 13.091 8.897 -7.189 1.00 0.00 N ATOM 1006 CA HIS A 65 12.195 8.027 -6.435 1.00 0.00 C ATOM 1007 C HIS A 65 11.521 7.014 -7.354 1.00 0.00 C ATOM 1008 O HIS A 65 11.261 5.877 -6.957 1.00 0.00 O ATOM 1009 CB HIS A 65 11.136 8.858 -5.709 1.00 0.00 C ATOM 1010 CG HIS A 65 10.472 8.129 -4.582 1.00 0.00 C ATOM 1011 ND1 HIS A 65 10.359 6.755 -4.537 1.00 0.00 N ATOM 1012 CD2 HIS A 65 9.886 8.590 -3.452 1.00 0.00 C ATOM 1013 CE1 HIS A 65 9.730 6.403 -3.430 1.00 0.00 C ATOM 1014 NE2 HIS A 65 9.433 7.498 -2.754 1.00 0.00 N ATOM 0 H HIS A 65 12.813 9.878 -7.204 1.00 0.00 H new ATOM 0 HA HIS A 65 12.789 7.485 -5.699 1.00 0.00 H new ATOM 0 HB2 HIS A 65 11.600 9.764 -5.321 1.00 0.00 H new ATOM 0 HB3 HIS A 65 10.377 9.171 -6.426 1.00 0.00 H new ATOM 0 HD1 HIS A 65 10.707 6.111 -5.248 1.00 0.00 H new ATOM 0 HD2 HIS A 65 9.792 9.624 -3.155 1.00 0.00 H new ATOM 0 HE1 HIS A 65 9.498 5.392 -3.129 1.00 0.00 H new ATOM 1022 N ARG A 66 11.239 7.432 -8.584 1.00 0.00 N ATOM 1023 CA ARG A 66 10.594 6.561 -9.559 1.00 0.00 C ATOM 1024 C ARG A 66 11.270 5.194 -9.599 1.00 0.00 C ATOM 1025 O ARG A 66 12.497 5.097 -9.594 1.00 0.00 O ATOM 1026 CB ARG A 66 10.629 7.201 -10.948 1.00 0.00 C ATOM 1027 CG ARG A 66 9.421 8.074 -11.247 1.00 0.00 C ATOM 1028 CD ARG A 66 9.489 8.656 -12.650 1.00 0.00 C ATOM 1029 NE ARG A 66 8.666 9.855 -12.786 1.00 0.00 N ATOM 1030 CZ ARG A 66 8.857 10.775 -13.725 1.00 0.00 C ATOM 1031 NH1 ARG A 66 9.836 10.633 -14.607 1.00 0.00 N ATOM 1032 NH2 ARG A 66 8.066 11.839 -13.783 1.00 0.00 N ATOM 0 H ARG A 66 11.447 8.369 -8.929 1.00 0.00 H new ATOM 0 HA ARG A 66 9.556 6.424 -9.256 1.00 0.00 H new ATOM 0 HB2 ARG A 66 11.533 7.803 -11.039 1.00 0.00 H new ATOM 0 HB3 ARG A 66 10.693 6.414 -11.700 1.00 0.00 H new ATOM 0 HG2 ARG A 66 8.510 7.486 -11.140 1.00 0.00 H new ATOM 0 HG3 ARG A 66 9.366 8.883 -10.518 1.00 0.00 H new ATOM 0 HD2 ARG A 66 10.524 8.897 -12.892 1.00 0.00 H new ATOM 0 HD3 ARG A 66 9.159 7.907 -13.370 1.00 0.00 H new ATOM 0 HE ARG A 66 7.903 9.993 -12.124 1.00 0.00 H new ATOM 0 HH11 ARG A 66 10.445 9.816 -14.566 1.00 0.00 H new ATOM 0 HH12 ARG A 66 9.980 11.341 -15.327 1.00 0.00 H new ATOM 0 HH21 ARG A 66 7.311 11.951 -13.106 1.00 0.00 H new ATOM 0 HH22 ARG A 66 8.213 12.545 -14.504 1.00 0.00 H new ATOM 1046 N GLY A 67 10.461 4.140 -9.638 1.00 0.00 N ATOM 1047 CA GLY A 67 11.000 2.793 -9.678 1.00 0.00 C ATOM 1048 C GLY A 67 11.361 2.272 -8.301 1.00 0.00 C ATOM 1049 O GLY A 67 11.173 1.091 -8.008 1.00 0.00 O ATOM 0 H GLY A 67 9.442 4.195 -9.643 1.00 0.00 H new ATOM 0 HA2 GLY A 67 10.269 2.126 -10.135 1.00 0.00 H new ATOM 0 HA3 GLY A 67 11.886 2.778 -10.313 1.00 0.00 H new ATOM 1053 N ARG A 68 11.881 3.154 -7.454 1.00 0.00 N ATOM 1054 CA ARG A 68 12.272 2.775 -6.101 1.00 0.00 C ATOM 1055 C ARG A 68 11.107 2.948 -5.131 1.00 0.00 C ATOM 1056 O ARG A 68 9.993 3.281 -5.535 1.00 0.00 O ATOM 1057 CB ARG A 68 13.464 3.614 -5.638 1.00 0.00 C ATOM 1058 CG ARG A 68 14.661 3.539 -6.573 1.00 0.00 C ATOM 1059 CD ARG A 68 15.687 4.615 -6.251 1.00 0.00 C ATOM 1060 NE ARG A 68 16.953 4.388 -6.943 1.00 0.00 N ATOM 1061 CZ ARG A 68 17.913 3.596 -6.478 1.00 0.00 C ATOM 1062 NH1 ARG A 68 17.752 2.958 -5.327 1.00 0.00 N ATOM 1063 NH2 ARG A 68 19.037 3.441 -7.166 1.00 0.00 N ATOM 0 H ARG A 68 12.041 4.136 -7.680 1.00 0.00 H new ATOM 0 HA ARG A 68 12.560 1.724 -6.113 1.00 0.00 H new ATOM 0 HB2 ARG A 68 13.151 4.654 -5.544 1.00 0.00 H new ATOM 0 HB3 ARG A 68 13.768 3.282 -4.645 1.00 0.00 H new ATOM 0 HG2 ARG A 68 15.125 2.556 -6.493 1.00 0.00 H new ATOM 0 HG3 ARG A 68 14.326 3.651 -7.604 1.00 0.00 H new ATOM 0 HD2 ARG A 68 15.290 5.590 -6.532 1.00 0.00 H new ATOM 0 HD3 ARG A 68 15.861 4.640 -5.175 1.00 0.00 H new ATOM 0 HE ARG A 68 17.109 4.864 -7.832 1.00 0.00 H new ATOM 0 HH11 ARG A 68 16.889 3.074 -4.796 1.00 0.00 H new ATOM 0 HH12 ARG A 68 18.491 2.351 -4.973 1.00 0.00 H new ATOM 0 HH21 ARG A 68 19.164 3.930 -8.052 1.00 0.00 H new ATOM 0 HH22 ARG A 68 19.774 2.833 -6.809 1.00 0.00 H new ATOM 1077 N SER A 69 11.373 2.719 -3.849 1.00 0.00 N ATOM 1078 CA SER A 69 10.346 2.845 -2.821 1.00 0.00 C ATOM 1079 C SER A 69 10.732 3.906 -1.795 1.00 0.00 C ATOM 1080 O SER A 69 11.842 4.439 -1.823 1.00 0.00 O ATOM 1081 CB SER A 69 10.125 1.501 -2.124 1.00 0.00 C ATOM 1082 OG SER A 69 11.301 1.071 -1.461 1.00 0.00 O ATOM 0 H SER A 69 12.291 2.445 -3.497 1.00 0.00 H new ATOM 0 HA SER A 69 9.418 3.152 -3.304 1.00 0.00 H new ATOM 0 HB2 SER A 69 9.310 1.590 -1.405 1.00 0.00 H new ATOM 0 HB3 SER A 69 9.823 0.753 -2.857 1.00 0.00 H new ATOM 0 HG SER A 69 11.133 0.211 -1.022 1.00 0.00 H new ATOM 1088 N CYS A 70 9.809 4.207 -0.888 1.00 0.00 N ATOM 1089 CA CYS A 70 10.049 5.204 0.148 1.00 0.00 C ATOM 1090 C CYS A 70 11.264 4.829 0.992 1.00 0.00 C ATOM 1091 O CYS A 70 11.930 5.695 1.558 1.00 0.00 O ATOM 1092 CB CYS A 70 8.817 5.347 1.043 1.00 0.00 C ATOM 1093 SG CYS A 70 7.285 5.744 0.141 1.00 0.00 S ATOM 0 H CYS A 70 8.886 3.774 -0.850 1.00 0.00 H new ATOM 0 HA CYS A 70 10.248 6.158 -0.340 1.00 0.00 H new ATOM 0 HB2 CYS A 70 8.671 4.418 1.594 1.00 0.00 H new ATOM 0 HB3 CYS A 70 9.005 6.128 1.780 1.00 0.00 H new ATOM 1098 N GLU A 71 11.546 3.532 1.070 1.00 0.00 N ATOM 1099 CA GLU A 71 12.680 3.042 1.845 1.00 0.00 C ATOM 1100 C GLU A 71 13.990 3.274 1.098 1.00 0.00 C ATOM 1101 O GLU A 71 14.870 3.990 1.576 1.00 0.00 O ATOM 1102 CB GLU A 71 12.511 1.553 2.152 1.00 0.00 C ATOM 1103 CG GLU A 71 13.655 0.965 2.962 1.00 0.00 C ATOM 1104 CD GLU A 71 13.276 -0.332 3.650 1.00 0.00 C ATOM 1105 OE1 GLU A 71 12.106 -0.462 4.068 1.00 0.00 O ATOM 1106 OE2 GLU A 71 14.148 -1.217 3.770 1.00 0.00 O ATOM 0 H GLU A 71 11.005 2.802 0.606 1.00 0.00 H new ATOM 0 HA GLU A 71 12.714 3.597 2.783 1.00 0.00 H new ATOM 0 HB2 GLU A 71 11.578 1.406 2.697 1.00 0.00 H new ATOM 0 HB3 GLU A 71 12.422 1.005 1.214 1.00 0.00 H new ATOM 0 HG2 GLU A 71 14.507 0.788 2.305 1.00 0.00 H new ATOM 0 HG3 GLU A 71 13.975 1.689 3.711 1.00 0.00 H new ATOM 1113 N ASP A 72 14.111 2.663 -0.075 1.00 0.00 N ATOM 1114 CA ASP A 72 15.313 2.803 -0.889 1.00 0.00 C ATOM 1115 C ASP A 72 15.556 4.264 -1.254 1.00 0.00 C ATOM 1116 O ASP A 72 16.691 4.740 -1.234 1.00 0.00 O ATOM 1117 CB ASP A 72 15.195 1.959 -2.159 1.00 0.00 C ATOM 1118 CG ASP A 72 15.789 0.575 -1.992 1.00 0.00 C ATOM 1119 OD1 ASP A 72 17.027 0.445 -2.084 1.00 0.00 O ATOM 1120 OD2 ASP A 72 15.015 -0.380 -1.771 1.00 0.00 O ATOM 0 H ASP A 72 13.392 2.066 -0.484 1.00 0.00 H new ATOM 0 HA ASP A 72 16.162 2.449 -0.304 1.00 0.00 H new ATOM 0 HB2 ASP A 72 14.145 1.869 -2.436 1.00 0.00 H new ATOM 0 HB3 ASP A 72 15.698 2.470 -2.980 1.00 0.00 H new ATOM 1125 N PHE A 73 14.481 4.971 -1.589 1.00 0.00 N ATOM 1126 CA PHE A 73 14.577 6.378 -1.961 1.00 0.00 C ATOM 1127 C PHE A 73 15.277 7.182 -0.869 1.00 0.00 C ATOM 1128 O PHE A 73 16.202 7.946 -1.144 1.00 0.00 O ATOM 1129 CB PHE A 73 13.184 6.954 -2.221 1.00 0.00 C ATOM 1130 CG PHE A 73 13.203 8.388 -2.669 1.00 0.00 C ATOM 1131 CD1 PHE A 73 13.812 8.747 -3.861 1.00 0.00 C ATOM 1132 CD2 PHE A 73 12.612 9.376 -1.899 1.00 0.00 C ATOM 1133 CE1 PHE A 73 13.832 10.065 -4.275 1.00 0.00 C ATOM 1134 CE2 PHE A 73 12.628 10.696 -2.309 1.00 0.00 C ATOM 1135 CZ PHE A 73 13.238 11.041 -3.499 1.00 0.00 C ATOM 0 H PHE A 73 13.534 4.593 -1.610 1.00 0.00 H new ATOM 0 HA PHE A 73 15.168 6.448 -2.874 1.00 0.00 H new ATOM 0 HB2 PHE A 73 12.686 6.351 -2.980 1.00 0.00 H new ATOM 0 HB3 PHE A 73 12.590 6.874 -1.310 1.00 0.00 H new ATOM 0 HD1 PHE A 73 14.276 7.988 -4.473 1.00 0.00 H new ATOM 0 HD2 PHE A 73 12.133 9.112 -0.968 1.00 0.00 H new ATOM 0 HE1 PHE A 73 14.312 10.332 -5.205 1.00 0.00 H new ATOM 0 HE2 PHE A 73 12.164 11.457 -1.699 1.00 0.00 H new ATOM 0 HZ PHE A 73 13.251 12.071 -3.822 1.00 0.00 H new ATOM 1145 N GLN A 74 14.828 7.004 0.369 1.00 0.00 N ATOM 1146 CA GLN A 74 15.410 7.714 1.502 1.00 0.00 C ATOM 1147 C GLN A 74 16.930 7.591 1.499 1.00 0.00 C ATOM 1148 O GLN A 74 17.644 8.590 1.577 1.00 0.00 O ATOM 1149 CB GLN A 74 14.845 7.172 2.816 1.00 0.00 C ATOM 1150 CG GLN A 74 15.485 7.783 4.052 1.00 0.00 C ATOM 1151 CD GLN A 74 15.213 6.980 5.308 1.00 0.00 C ATOM 1152 OE1 GLN A 74 14.545 5.947 5.265 1.00 0.00 O ATOM 1153 NE2 GLN A 74 15.730 7.452 6.436 1.00 0.00 N ATOM 0 H GLN A 74 14.063 6.375 0.613 1.00 0.00 H new ATOM 0 HA GLN A 74 15.149 8.768 1.410 1.00 0.00 H new ATOM 0 HB2 GLN A 74 13.771 7.357 2.844 1.00 0.00 H new ATOM 0 HB3 GLN A 74 14.983 6.091 2.843 1.00 0.00 H new ATOM 0 HG2 GLN A 74 16.562 7.858 3.899 1.00 0.00 H new ATOM 0 HG3 GLN A 74 15.111 8.798 4.186 1.00 0.00 H new ATOM 0 HE21 GLN A 74 16.278 8.312 6.425 1.00 0.00 H new ATOM 0 HE22 GLN A 74 15.580 6.954 7.313 1.00 0.00 H new ATOM 1162 N ASN A 75 17.419 6.358 1.408 1.00 0.00 N ATOM 1163 CA ASN A 75 18.855 6.104 1.396 1.00 0.00 C ATOM 1164 C ASN A 75 19.540 6.906 0.294 1.00 0.00 C ATOM 1165 O ASN A 75 20.669 7.367 0.458 1.00 0.00 O ATOM 1166 CB ASN A 75 19.128 4.611 1.201 1.00 0.00 C ATOM 1167 CG ASN A 75 18.589 3.771 2.343 1.00 0.00 C ATOM 1168 OD1 ASN A 75 19.248 3.604 3.370 1.00 0.00 O ATOM 1169 ND2 ASN A 75 17.386 3.236 2.168 1.00 0.00 N ATOM 0 H ASN A 75 16.842 5.520 1.342 1.00 0.00 H new ATOM 0 HA ASN A 75 19.263 6.419 2.357 1.00 0.00 H new ATOM 0 HB2 ASN A 75 18.676 4.281 0.266 1.00 0.00 H new ATOM 0 HB3 ASN A 75 20.202 4.450 1.110 1.00 0.00 H new ATOM 0 HD21 ASN A 75 16.972 2.660 2.901 1.00 0.00 H new ATOM 0 HD22 ASN A 75 16.876 3.401 1.300 1.00 0.00 H new ATOM 1176 N TRP A 76 18.849 7.068 -0.828 1.00 0.00 N ATOM 1177 CA TRP A 76 19.390 7.815 -1.958 1.00 0.00 C ATOM 1178 C TRP A 76 19.480 9.303 -1.635 1.00 0.00 C ATOM 1179 O TRP A 76 20.299 10.024 -2.203 1.00 0.00 O ATOM 1180 CB TRP A 76 18.523 7.602 -3.200 1.00 0.00 C ATOM 1181 CG TRP A 76 18.922 8.466 -4.358 1.00 0.00 C ATOM 1182 CD1 TRP A 76 19.545 8.063 -5.504 1.00 0.00 C ATOM 1183 CD2 TRP A 76 18.725 9.879 -4.481 1.00 0.00 C ATOM 1184 NE1 TRP A 76 19.748 9.141 -6.332 1.00 0.00 N ATOM 1185 CE2 TRP A 76 19.253 10.266 -5.728 1.00 0.00 C ATOM 1186 CE3 TRP A 76 18.152 10.854 -3.660 1.00 0.00 C ATOM 1187 CZ2 TRP A 76 19.226 11.586 -6.170 1.00 0.00 C ATOM 1188 CZ3 TRP A 76 18.126 12.163 -4.100 1.00 0.00 C ATOM 1189 CH2 TRP A 76 18.659 12.520 -5.346 1.00 0.00 C ATOM 0 H TRP A 76 17.913 6.692 -0.980 1.00 0.00 H new ATOM 0 HA TRP A 76 20.395 7.444 -2.158 1.00 0.00 H new ATOM 0 HB2 TRP A 76 18.581 6.556 -3.500 1.00 0.00 H new ATOM 0 HB3 TRP A 76 17.482 7.804 -2.947 1.00 0.00 H new ATOM 0 HD1 TRP A 76 19.835 7.047 -5.727 1.00 0.00 H new ATOM 0 HE1 TRP A 76 20.195 9.108 -7.248 1.00 0.00 H new ATOM 0 HE3 TRP A 76 17.737 10.589 -2.699 1.00 0.00 H new ATOM 0 HZ2 TRP A 76 19.638 11.863 -7.129 1.00 0.00 H new ATOM 0 HZ3 TRP A 76 17.687 12.925 -3.473 1.00 0.00 H new ATOM 0 HH2 TRP A 76 18.622 13.552 -5.662 1.00 0.00 H new ATOM 1200 N LYS A 77 18.632 9.756 -0.718 1.00 0.00 N ATOM 1201 CA LYS A 77 18.615 11.158 -0.317 1.00 0.00 C ATOM 1202 C LYS A 77 19.817 11.486 0.564 1.00 0.00 C ATOM 1203 O LYS A 77 20.554 12.435 0.296 1.00 0.00 O ATOM 1204 CB LYS A 77 17.319 11.481 0.430 1.00 0.00 C ATOM 1205 CG LYS A 77 16.065 11.063 -0.320 1.00 0.00 C ATOM 1206 CD LYS A 77 15.669 12.095 -1.362 1.00 0.00 C ATOM 1207 CE LYS A 77 15.367 13.443 -0.726 1.00 0.00 C ATOM 1208 NZ LYS A 77 14.347 14.205 -1.499 1.00 0.00 N ATOM 0 H LYS A 77 17.947 9.172 -0.238 1.00 0.00 H new ATOM 0 HA LYS A 77 18.669 11.768 -1.218 1.00 0.00 H new ATOM 0 HB2 LYS A 77 17.335 10.984 1.400 1.00 0.00 H new ATOM 0 HB3 LYS A 77 17.277 12.553 0.622 1.00 0.00 H new ATOM 0 HG2 LYS A 77 16.233 10.101 -0.805 1.00 0.00 H new ATOM 0 HG3 LYS A 77 15.246 10.925 0.386 1.00 0.00 H new ATOM 0 HD2 LYS A 77 16.474 12.207 -2.089 1.00 0.00 H new ATOM 0 HD3 LYS A 77 14.793 11.745 -1.908 1.00 0.00 H new ATOM 0 HE2 LYS A 77 15.012 13.292 0.293 1.00 0.00 H new ATOM 0 HE3 LYS A 77 16.285 14.028 -0.661 1.00 0.00 H new ATOM 0 HZ1 LYS A 77 14.169 15.118 -1.033 1.00 0.00 H new ATOM 0 HZ2 LYS A 77 14.696 14.371 -2.464 1.00 0.00 H new ATOM 0 HZ3 LYS A 77 13.463 13.659 -1.540 1.00 0.00 H new ATOM 1222 N ARG A 78 20.008 10.695 1.615 1.00 0.00 N ATOM 1223 CA ARG A 78 21.120 10.901 2.534 1.00 0.00 C ATOM 1224 C ARG A 78 22.455 10.833 1.798 1.00 0.00 C ATOM 1225 O ARG A 78 23.434 11.453 2.209 1.00 0.00 O ATOM 1226 CB ARG A 78 21.087 9.856 3.651 1.00 0.00 C ATOM 1227 CG ARG A 78 21.447 8.455 3.184 1.00 0.00 C ATOM 1228 CD ARG A 78 21.583 7.495 4.356 1.00 0.00 C ATOM 1229 NE ARG A 78 22.231 6.246 3.968 1.00 0.00 N ATOM 1230 CZ ARG A 78 23.549 6.084 3.923 1.00 0.00 C ATOM 1231 NH1 ARG A 78 24.354 7.088 4.242 1.00 0.00 N ATOM 1232 NH2 ARG A 78 24.063 4.916 3.560 1.00 0.00 N ATOM 0 H ARG A 78 19.407 9.906 1.851 1.00 0.00 H new ATOM 0 HA ARG A 78 21.017 11.894 2.972 1.00 0.00 H new ATOM 0 HB2 ARG A 78 21.778 10.156 4.439 1.00 0.00 H new ATOM 0 HB3 ARG A 78 20.090 9.838 4.091 1.00 0.00 H new ATOM 0 HG2 ARG A 78 20.681 8.090 2.500 1.00 0.00 H new ATOM 0 HG3 ARG A 78 22.383 8.485 2.627 1.00 0.00 H new ATOM 0 HD2 ARG A 78 22.159 7.971 5.149 1.00 0.00 H new ATOM 0 HD3 ARG A 78 20.596 7.279 4.764 1.00 0.00 H new ATOM 0 HE ARG A 78 21.639 5.454 3.718 1.00 0.00 H new ATOM 0 HH11 ARG A 78 23.962 7.987 4.523 1.00 0.00 H new ATOM 0 HH12 ARG A 78 25.366 6.962 4.207 1.00 0.00 H new ATOM 0 HH21 ARG A 78 23.446 4.141 3.315 1.00 0.00 H new ATOM 0 HH22 ARG A 78 25.075 4.793 3.526 1.00 0.00 H new ATOM 1246 N MET A 79 22.485 10.073 0.707 1.00 0.00 N ATOM 1247 CA MET A 79 23.699 9.924 -0.087 1.00 0.00 C ATOM 1248 C MET A 79 23.828 11.057 -1.100 1.00 0.00 C ATOM 1249 O MET A 79 24.898 11.643 -1.256 1.00 0.00 O ATOM 1250 CB MET A 79 23.699 8.576 -0.809 1.00 0.00 C ATOM 1251 CG MET A 79 23.814 7.384 0.127 1.00 0.00 C ATOM 1252 SD MET A 79 24.338 5.882 -0.721 1.00 0.00 S ATOM 1253 CE MET A 79 23.030 5.703 -1.931 1.00 0.00 C ATOM 0 H MET A 79 21.683 9.551 0.353 1.00 0.00 H new ATOM 0 HA MET A 79 24.553 9.966 0.589 1.00 0.00 H new ATOM 0 HB2 MET A 79 22.781 8.484 -1.389 1.00 0.00 H new ATOM 0 HB3 MET A 79 24.527 8.553 -1.517 1.00 0.00 H new ATOM 0 HG2 MET A 79 24.526 7.616 0.919 1.00 0.00 H new ATOM 0 HG3 MET A 79 22.851 7.209 0.606 1.00 0.00 H new ATOM 0 HE1 MET A 79 23.133 4.744 -2.439 1.00 0.00 H new ATOM 0 HE2 MET A 79 22.063 5.746 -1.430 1.00 0.00 H new ATOM 0 HE3 MET A 79 23.097 6.510 -2.661 1.00 0.00 H new ATOM 1263 N ASN A 80 22.731 11.359 -1.787 1.00 0.00 N ATOM 1264 CA ASN A 80 22.723 12.422 -2.786 1.00 0.00 C ATOM 1265 C ASN A 80 22.638 13.792 -2.121 1.00 0.00 C ATOM 1266 O ASN A 80 23.583 14.579 -2.173 1.00 0.00 O ATOM 1267 CB ASN A 80 21.549 12.236 -3.749 1.00 0.00 C ATOM 1268 CG ASN A 80 21.820 11.168 -4.791 1.00 0.00 C ATOM 1269 OD1 ASN A 80 22.020 11.470 -5.968 1.00 0.00 O ATOM 1270 ND2 ASN A 80 21.827 9.911 -4.363 1.00 0.00 N ATOM 0 H ASN A 80 21.836 10.883 -1.670 1.00 0.00 H new ATOM 0 HA ASN A 80 23.656 12.367 -3.347 1.00 0.00 H new ATOM 0 HB2 ASN A 80 20.657 11.969 -3.183 1.00 0.00 H new ATOM 0 HB3 ASN A 80 21.339 13.182 -4.248 1.00 0.00 H new ATOM 0 HD21 ASN A 80 22.003 9.150 -5.019 1.00 0.00 H new ATOM 0 HD22 ASN A 80 21.656 9.707 -3.378 1.00 0.00 H new ATOM 1277 N SER A 81 21.498 14.072 -1.497 1.00 0.00 N ATOM 1278 CA SER A 81 21.287 15.348 -0.824 1.00 0.00 C ATOM 1279 C SER A 81 22.369 15.596 0.223 1.00 0.00 C ATOM 1280 O SER A 81 23.110 16.574 0.147 1.00 0.00 O ATOM 1281 CB SER A 81 19.907 15.380 -0.166 1.00 0.00 C ATOM 1282 OG SER A 81 19.771 16.510 0.679 1.00 0.00 O ATOM 0 H SER A 81 20.706 13.432 -1.444 1.00 0.00 H new ATOM 0 HA SER A 81 21.343 16.139 -1.572 1.00 0.00 H new ATOM 0 HB2 SER A 81 19.135 15.402 -0.935 1.00 0.00 H new ATOM 0 HB3 SER A 81 19.755 14.469 0.413 1.00 0.00 H new ATOM 0 HG SER A 81 18.880 16.508 1.087 1.00 0.00 H new ATOM 1288 N GLY A 82 22.452 14.700 1.202 1.00 0.00 N ATOM 1289 CA GLY A 82 23.445 14.837 2.251 1.00 0.00 C ATOM 1290 C GLY A 82 22.866 14.599 3.632 1.00 0.00 C ATOM 1291 O GLY A 82 21.920 13.831 3.808 1.00 0.00 O ATOM 0 H GLY A 82 21.849 13.882 1.287 1.00 0.00 H new ATOM 0 HA2 GLY A 82 24.256 14.131 2.074 1.00 0.00 H new ATOM 0 HA3 GLY A 82 23.878 15.837 2.209 1.00 0.00 H new ATOM 1295 N PRO A 83 23.441 15.268 4.642 1.00 0.00 N ATOM 1296 CA PRO A 83 22.993 15.141 6.032 1.00 0.00 C ATOM 1297 C PRO A 83 21.626 15.775 6.261 1.00 0.00 C ATOM 1298 O PRO A 83 20.766 15.197 6.926 1.00 0.00 O ATOM 1299 CB PRO A 83 24.069 15.890 6.822 1.00 0.00 C ATOM 1300 CG PRO A 83 24.640 16.867 5.852 1.00 0.00 C ATOM 1301 CD PRO A 83 24.573 16.201 4.506 1.00 0.00 C ATOM 0 HA PRO A 83 22.876 14.099 6.328 1.00 0.00 H new ATOM 0 HB2 PRO A 83 23.644 16.395 7.689 1.00 0.00 H new ATOM 0 HB3 PRO A 83 24.834 15.208 7.194 1.00 0.00 H new ATOM 0 HG2 PRO A 83 24.073 17.798 5.856 1.00 0.00 H new ATOM 0 HG3 PRO A 83 25.668 17.120 6.112 1.00 0.00 H new ATOM 0 HD2 PRO A 83 24.404 16.924 3.708 1.00 0.00 H new ATOM 0 HD3 PRO A 83 25.499 15.677 4.270 1.00 0.00 H new ATOM 1309 N SER A 84 21.431 16.967 5.706 1.00 0.00 N ATOM 1310 CA SER A 84 20.169 17.682 5.853 1.00 0.00 C ATOM 1311 C SER A 84 20.147 18.931 4.978 1.00 0.00 C ATOM 1312 O SER A 84 21.182 19.551 4.735 1.00 0.00 O ATOM 1313 CB SER A 84 19.943 18.067 7.316 1.00 0.00 C ATOM 1314 OG SER A 84 20.755 19.168 7.685 1.00 0.00 O ATOM 0 H SER A 84 22.131 17.458 5.150 1.00 0.00 H new ATOM 0 HA SER A 84 19.366 17.019 5.531 1.00 0.00 H new ATOM 0 HB2 SER A 84 18.894 18.317 7.472 1.00 0.00 H new ATOM 0 HB3 SER A 84 20.166 17.215 7.958 1.00 0.00 H new ATOM 0 HG SER A 84 20.591 19.396 8.624 1.00 0.00 H new ATOM 1320 N SER A 85 18.958 19.295 4.506 1.00 0.00 N ATOM 1321 CA SER A 85 18.800 20.468 3.654 1.00 0.00 C ATOM 1322 C SER A 85 17.334 20.879 3.562 1.00 0.00 C ATOM 1323 O SER A 85 16.435 20.060 3.749 1.00 0.00 O ATOM 1324 CB SER A 85 19.352 20.186 2.255 1.00 0.00 C ATOM 1325 OG SER A 85 20.730 20.507 2.176 1.00 0.00 O ATOM 0 H SER A 85 18.091 18.794 4.699 1.00 0.00 H new ATOM 0 HA SER A 85 19.362 21.289 4.100 1.00 0.00 H new ATOM 0 HB2 SER A 85 19.206 19.134 2.008 1.00 0.00 H new ATOM 0 HB3 SER A 85 18.797 20.767 1.518 1.00 0.00 H new ATOM 0 HG SER A 85 21.169 20.272 3.020 1.00 0.00 H new ATOM 1331 N GLY A 86 17.100 22.156 3.272 1.00 0.00 N ATOM 1332 CA GLY A 86 15.742 22.654 3.161 1.00 0.00 C ATOM 1333 C GLY A 86 15.678 24.169 3.176 1.00 0.00 C ATOM 1334 O GLY A 86 16.714 24.811 3.339 1.00 0.00 O ATOM 0 H GLY A 86 17.827 22.854 3.112 1.00 0.00 H new ATOM 0 HA2 GLY A 86 15.297 22.284 2.238 1.00 0.00 H new ATOM 0 HA3 GLY A 86 15.145 22.260 3.983 1.00 0.00 H new TER 1338 GLY A 86 HETATM 1339 ZN ZN A 201 -3.319 19.019 -1.485 1.00 0.00 ZN HETATM 1340 ZN ZN A 401 7.482 7.388 -1.488 1.00 0.00 ZN