USER MOD reduce.3.24.130724 H: found=0, std=0, add=496, rem=0, adj=24 USER MOD reduce.3.24.130724 removed 494 hydrogens (0 hets) USER MOD ----------------------------------------------------------------- USER MOD scores for adjustable sidechains, with "set" totals for H,N and Q USER MOD "o" means original, "f" means flipped, "180deg" is methyl default USER MOD "!" flags a clash with an overlap of 0.40A or greater USER MOD flip categories: "K"=keep, "C"=clashes, "X"=uncertain, "F"=flip USER MOD Set 1.1: A 37 HIS : no HE2:sc= -5.83! C(o=-5.8!,f=-6.6!) USER MOD Set 1.2: A 44 TYR OH : rot 150:sc= 0 USER MOD Set 2.1: A 29 TYR OH : rot 180:sc= -1.63 USER MOD Set 2.2: A 62 LYS NZ :NH3+ -167:sc= 1.1 (180deg=0.968) USER MOD Single : A 1 GLY N :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 2 SER OG : rot 6:sc= 0.637 USER MOD Single : A 3 SER OG : rot 63:sc= 0.509 USER MOD Single : A 5 SER OG : rot 180:sc= -0.724 USER MOD Single : A 6 SER OG : rot 12:sc= 0.666! USER MOD Single : A 8 MET CE :methyl -143:sc= -0.0488 (180deg=-0.16) USER MOD Single : A 10 SER OG : rot 180:sc= 0 USER MOD Single : A 12 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 26 SER OG : rot 180:sc= 0 USER MOD Single : A 27 SER OG : rot 180:sc= 0 USER MOD Single : A 30 TYR OH : rot 180:sc= 0 USER MOD Single : A 36 SER OG : rot 31:sc= 0.502 USER MOD Single : A 39 SER OG : rot 180:sc= 0 USER MOD Single : A 40 THR OG1 : rot 180:sc= 0 USER MOD Single : A 41 SER OG : rot -3:sc= 0.337 USER MOD Single : A 42 GLN : amide:sc= 0 X(o=0,f=-0.014) USER MOD Single : A 45 THR OG1 : rot 180:sc= 0 USER MOD Single : A 47 LYS NZ :NH3+ -133:sc= 0.136 (180deg=-0.0119) USER MOD Single : A 48 TYR OH : rot 96:sc= 0.183 USER MOD Single : A 49 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 52 THR OG1 : rot 180:sc= 0 USER MOD Single : A 57 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 59 ASN : amide:sc= -0.684 K(o=-0.68,f=-0.12) USER MOD Single : A 63 SER OG : rot 180:sc= 0 USER MOD Single : A 66 SER OG : rot 23:sc= 0.238 USER MOD Single : A 67 SER OG : rot 180:sc= -0.0717 USER MOD ----------------------------------------------------------------- ATOM 1 N GLY A 1 -17.372 13.574 6.937 1.00 0.00 N ATOM 2 CA GLY A 1 -16.555 12.773 6.045 1.00 0.00 C ATOM 3 C GLY A 1 -16.516 13.330 4.636 1.00 0.00 C ATOM 4 O GLY A 1 -17.409 13.064 3.831 1.00 0.00 O ATOM 0 H1 GLY A 1 -17.366 13.151 7.887 1.00 0.00 H new ATOM 0 H2 GLY A 1 -16.989 14.540 6.985 1.00 0.00 H new ATOM 0 H3 GLY A 1 -18.348 13.606 6.579 1.00 0.00 H new ATOM 0 HA2 GLY A 1 -15.540 12.718 6.439 1.00 0.00 H new ATOM 0 HA3 GLY A 1 -16.943 11.755 6.019 1.00 0.00 H new ATOM 8 N SER A 2 -15.481 14.108 4.337 1.00 0.00 N ATOM 9 CA SER A 2 -15.332 14.710 3.017 1.00 0.00 C ATOM 10 C SER A 2 -13.876 15.073 2.746 1.00 0.00 C ATOM 11 O SER A 2 -13.047 15.082 3.656 1.00 0.00 O ATOM 12 CB SER A 2 -16.211 15.957 2.900 1.00 0.00 C ATOM 13 OG SER A 2 -17.586 15.615 2.914 1.00 0.00 O ATOM 0 H SER A 2 -14.733 14.337 4.991 1.00 0.00 H new ATOM 0 HA SER A 2 -15.650 13.979 2.274 1.00 0.00 H new ATOM 0 HB2 SER A 2 -15.994 16.637 3.723 1.00 0.00 H new ATOM 0 HB3 SER A 2 -15.974 16.487 1.978 1.00 0.00 H new ATOM 0 HG SER A 2 -17.683 14.656 3.091 1.00 0.00 H new ATOM 19 N SER A 3 -13.571 15.372 1.487 1.00 0.00 N ATOM 20 CA SER A 3 -12.214 15.732 1.094 1.00 0.00 C ATOM 21 C SER A 3 -12.030 17.246 1.102 1.00 0.00 C ATOM 22 O SER A 3 -11.426 17.815 0.194 1.00 0.00 O ATOM 23 CB SER A 3 -11.899 15.176 -0.296 1.00 0.00 C ATOM 24 OG SER A 3 -12.542 15.933 -1.306 1.00 0.00 O ATOM 0 H SER A 3 -14.246 15.372 0.722 1.00 0.00 H new ATOM 0 HA SER A 3 -11.525 15.296 1.817 1.00 0.00 H new ATOM 0 HB2 SER A 3 -10.821 15.187 -0.460 1.00 0.00 H new ATOM 0 HB3 SER A 3 -12.220 14.136 -0.356 1.00 0.00 H new ATOM 0 HG SER A 3 -12.199 16.851 -1.295 1.00 0.00 H new ATOM 30 N GLY A 4 -12.557 17.895 2.137 1.00 0.00 N ATOM 31 CA GLY A 4 -12.441 19.337 2.245 1.00 0.00 C ATOM 32 C GLY A 4 -12.856 19.851 3.609 1.00 0.00 C ATOM 33 O GLY A 4 -12.126 20.615 4.241 1.00 0.00 O ATOM 0 H GLY A 4 -13.062 17.447 2.902 1.00 0.00 H new ATOM 0 HA2 GLY A 4 -11.410 19.631 2.047 1.00 0.00 H new ATOM 0 HA3 GLY A 4 -13.059 19.807 1.480 1.00 0.00 H new ATOM 37 N SER A 5 -14.033 19.433 4.065 1.00 0.00 N ATOM 38 CA SER A 5 -14.546 19.861 5.361 1.00 0.00 C ATOM 39 C SER A 5 -13.466 19.760 6.434 1.00 0.00 C ATOM 40 O SER A 5 -12.448 19.094 6.244 1.00 0.00 O ATOM 41 CB SER A 5 -15.756 19.013 5.759 1.00 0.00 C ATOM 42 OG SER A 5 -15.449 17.630 5.706 1.00 0.00 O ATOM 0 H SER A 5 -14.649 18.799 3.556 1.00 0.00 H new ATOM 0 HA SER A 5 -14.853 20.903 5.276 1.00 0.00 H new ATOM 0 HB2 SER A 5 -16.075 19.280 6.767 1.00 0.00 H new ATOM 0 HB3 SER A 5 -16.591 19.229 5.092 1.00 0.00 H new ATOM 0 HG SER A 5 -16.238 17.110 5.966 1.00 0.00 H new ATOM 48 N SER A 6 -13.695 20.426 7.561 1.00 0.00 N ATOM 49 CA SER A 6 -12.741 20.416 8.663 1.00 0.00 C ATOM 50 C SER A 6 -13.408 19.953 9.955 1.00 0.00 C ATOM 51 O SER A 6 -14.398 20.533 10.397 1.00 0.00 O ATOM 52 CB SER A 6 -12.139 21.809 8.857 1.00 0.00 C ATOM 53 OG SER A 6 -13.046 22.668 9.524 1.00 0.00 O ATOM 0 H SER A 6 -14.534 20.980 7.735 1.00 0.00 H new ATOM 0 HA SER A 6 -11.944 19.715 8.415 1.00 0.00 H new ATOM 0 HB2 SER A 6 -11.216 21.733 9.432 1.00 0.00 H new ATOM 0 HB3 SER A 6 -11.877 22.234 7.888 1.00 0.00 H new ATOM 0 HG SER A 6 -13.789 22.141 9.887 1.00 0.00 H new ATOM 59 N GLY A 7 -12.856 18.903 10.555 1.00 0.00 N ATOM 60 CA GLY A 7 -13.410 18.379 11.790 1.00 0.00 C ATOM 61 C GLY A 7 -12.524 17.323 12.421 1.00 0.00 C ATOM 62 O GLY A 7 -11.491 16.955 11.861 1.00 0.00 O ATOM 0 H GLY A 7 -12.036 18.406 10.208 1.00 0.00 H new ATOM 0 HA2 GLY A 7 -13.554 19.197 12.496 1.00 0.00 H new ATOM 0 HA3 GLY A 7 -14.393 17.953 11.591 1.00 0.00 H new ATOM 66 N MET A 8 -12.927 16.835 13.589 1.00 0.00 N ATOM 67 CA MET A 8 -12.161 15.815 14.296 1.00 0.00 C ATOM 68 C MET A 8 -11.752 14.690 13.351 1.00 0.00 C ATOM 69 O MET A 8 -12.462 14.355 12.403 1.00 0.00 O ATOM 70 CB MET A 8 -12.978 15.248 15.459 1.00 0.00 C ATOM 71 CG MET A 8 -13.316 16.279 16.524 1.00 0.00 C ATOM 72 SD MET A 8 -11.851 16.925 17.354 1.00 0.00 S ATOM 73 CE MET A 8 -11.656 18.498 16.521 1.00 0.00 C ATOM 0 H MET A 8 -13.779 17.129 14.066 1.00 0.00 H new ATOM 0 HA MET A 8 -11.258 16.282 14.689 1.00 0.00 H new ATOM 0 HB2 MET A 8 -13.903 14.823 15.069 1.00 0.00 H new ATOM 0 HB3 MET A 8 -12.422 14.431 15.919 1.00 0.00 H new ATOM 0 HG2 MET A 8 -13.863 17.103 16.066 1.00 0.00 H new ATOM 0 HG3 MET A 8 -13.979 15.829 17.263 1.00 0.00 H new ATOM 0 HE1 MET A 8 -10.595 18.709 16.385 1.00 0.00 H new ATOM 0 HE2 MET A 8 -12.146 18.458 15.548 1.00 0.00 H new ATOM 0 HE3 MET A 8 -12.108 19.287 17.122 1.00 0.00 H new ATOM 83 N PRO A 9 -10.580 14.093 13.613 1.00 0.00 N ATOM 84 CA PRO A 9 -10.050 12.997 12.797 1.00 0.00 C ATOM 85 C PRO A 9 -10.853 11.711 12.961 1.00 0.00 C ATOM 86 O PRO A 9 -10.604 10.925 13.874 1.00 0.00 O ATOM 87 CB PRO A 9 -8.628 12.811 13.332 1.00 0.00 C ATOM 88 CG PRO A 9 -8.680 13.320 14.731 1.00 0.00 C ATOM 89 CD PRO A 9 -9.681 14.442 14.726 1.00 0.00 C ATOM 0 HA PRO A 9 -10.093 13.225 11.732 1.00 0.00 H new ATOM 0 HB2 PRO A 9 -8.328 11.764 13.303 1.00 0.00 H new ATOM 0 HB3 PRO A 9 -7.905 13.367 12.735 1.00 0.00 H new ATOM 0 HG2 PRO A 9 -8.980 12.532 15.422 1.00 0.00 H new ATOM 0 HG3 PRO A 9 -7.701 13.672 15.055 1.00 0.00 H new ATOM 0 HD2 PRO A 9 -10.219 14.505 15.672 1.00 0.00 H new ATOM 0 HD3 PRO A 9 -9.201 15.408 14.567 1.00 0.00 H new ATOM 97 N SER A 10 -11.818 11.504 12.070 1.00 0.00 N ATOM 98 CA SER A 10 -12.660 10.314 12.119 1.00 0.00 C ATOM 99 C SER A 10 -11.884 9.080 11.670 1.00 0.00 C ATOM 100 O SER A 10 -11.845 8.069 12.371 1.00 0.00 O ATOM 101 CB SER A 10 -13.896 10.502 11.237 1.00 0.00 C ATOM 102 OG SER A 10 -14.663 9.313 11.174 1.00 0.00 O ATOM 0 H SER A 10 -12.036 12.144 11.306 1.00 0.00 H new ATOM 0 HA SER A 10 -12.977 10.166 13.151 1.00 0.00 H new ATOM 0 HB2 SER A 10 -14.508 11.313 11.632 1.00 0.00 H new ATOM 0 HB3 SER A 10 -13.589 10.794 10.233 1.00 0.00 H new ATOM 0 HG SER A 10 -15.448 9.460 10.606 1.00 0.00 H new ATOM 108 N ARG A 11 -11.267 9.171 10.497 1.00 0.00 N ATOM 109 CA ARG A 11 -10.492 8.062 9.953 1.00 0.00 C ATOM 110 C ARG A 11 -9.086 8.516 9.574 1.00 0.00 C ATOM 111 O ARG A 11 -8.908 9.535 8.906 1.00 0.00 O ATOM 112 CB ARG A 11 -11.196 7.473 8.729 1.00 0.00 C ATOM 113 CG ARG A 11 -10.643 6.124 8.299 1.00 0.00 C ATOM 114 CD ARG A 11 -11.369 4.979 8.988 1.00 0.00 C ATOM 115 NE ARG A 11 -12.788 4.947 8.646 1.00 0.00 N ATOM 116 CZ ARG A 11 -13.246 4.637 7.438 1.00 0.00 C ATOM 117 NH1 ARG A 11 -12.401 4.335 6.462 1.00 0.00 N ATOM 118 NH2 ARG A 11 -14.552 4.629 7.204 1.00 0.00 N ATOM 0 H ARG A 11 -11.288 10.001 9.905 1.00 0.00 H new ATOM 0 HA ARG A 11 -10.412 7.295 10.723 1.00 0.00 H new ATOM 0 HB2 ARG A 11 -12.259 7.368 8.947 1.00 0.00 H new ATOM 0 HB3 ARG A 11 -11.109 8.173 7.898 1.00 0.00 H new ATOM 0 HG2 ARG A 11 -10.738 6.018 7.218 1.00 0.00 H new ATOM 0 HG3 ARG A 11 -9.579 6.075 8.532 1.00 0.00 H new ATOM 0 HD2 ARG A 11 -10.906 4.034 8.705 1.00 0.00 H new ATOM 0 HD3 ARG A 11 -11.258 5.077 10.068 1.00 0.00 H new ATOM 0 HE ARG A 11 -13.465 5.175 9.374 1.00 0.00 H new ATOM 0 HH11 ARG A 11 -11.396 4.340 6.638 1.00 0.00 H new ATOM 0 HH12 ARG A 11 -12.756 4.097 5.536 1.00 0.00 H new ATOM 0 HH21 ARG A 11 -15.206 4.861 7.952 1.00 0.00 H new ATOM 0 HH22 ARG A 11 -14.902 4.391 6.276 1.00 0.00 H new ATOM 132 N LYS A 12 -8.087 7.753 10.007 1.00 0.00 N ATOM 133 CA LYS A 12 -6.696 8.075 9.714 1.00 0.00 C ATOM 134 C LYS A 12 -6.444 8.084 8.210 1.00 0.00 C ATOM 135 O LYS A 12 -5.566 8.795 7.722 1.00 0.00 O ATOM 136 CB LYS A 12 -5.764 7.067 10.391 1.00 0.00 C ATOM 137 CG LYS A 12 -4.395 7.632 10.726 1.00 0.00 C ATOM 138 CD LYS A 12 -3.372 6.529 10.939 1.00 0.00 C ATOM 139 CE LYS A 12 -1.988 7.097 11.212 1.00 0.00 C ATOM 140 NZ LYS A 12 -0.935 6.046 11.152 1.00 0.00 N ATOM 0 H LYS A 12 -8.216 6.907 10.562 1.00 0.00 H new ATOM 0 HA LYS A 12 -6.490 9.071 10.105 1.00 0.00 H new ATOM 0 HB2 LYS A 12 -6.234 6.709 11.307 1.00 0.00 H new ATOM 0 HB3 LYS A 12 -5.641 6.203 9.738 1.00 0.00 H new ATOM 0 HG2 LYS A 12 -4.063 8.286 9.920 1.00 0.00 H new ATOM 0 HG3 LYS A 12 -4.463 8.244 11.625 1.00 0.00 H new ATOM 0 HD2 LYS A 12 -3.680 5.902 11.776 1.00 0.00 H new ATOM 0 HD3 LYS A 12 -3.336 5.889 10.057 1.00 0.00 H new ATOM 0 HE2 LYS A 12 -1.765 7.876 10.483 1.00 0.00 H new ATOM 0 HE3 LYS A 12 -1.976 7.567 12.195 1.00 0.00 H new ATOM 0 HZ1 LYS A 12 -0.006 6.474 11.344 1.00 0.00 H new ATOM 0 HZ2 LYS A 12 -1.133 5.315 11.865 1.00 0.00 H new ATOM 0 HZ3 LYS A 12 -0.929 5.614 10.206 1.00 0.00 H new ATOM 154 N PHE A 13 -7.222 7.292 7.480 1.00 0.00 N ATOM 155 CA PHE A 13 -7.083 7.209 6.030 1.00 0.00 C ATOM 156 C PHE A 13 -8.439 7.355 5.345 1.00 0.00 C ATOM 157 O PHE A 13 -9.319 6.509 5.501 1.00 0.00 O ATOM 158 CB PHE A 13 -6.439 5.880 5.633 1.00 0.00 C ATOM 159 CG PHE A 13 -5.218 5.541 6.440 1.00 0.00 C ATOM 160 CD1 PHE A 13 -4.006 6.159 6.180 1.00 0.00 C ATOM 161 CD2 PHE A 13 -5.284 4.604 7.459 1.00 0.00 C ATOM 162 CE1 PHE A 13 -2.881 5.848 6.921 1.00 0.00 C ATOM 163 CE2 PHE A 13 -4.162 4.289 8.203 1.00 0.00 C ATOM 164 CZ PHE A 13 -2.960 4.913 7.934 1.00 0.00 C ATOM 0 H PHE A 13 -7.955 6.698 7.868 1.00 0.00 H new ATOM 0 HA PHE A 13 -6.441 8.027 5.704 1.00 0.00 H new ATOM 0 HB2 PHE A 13 -7.173 5.082 5.746 1.00 0.00 H new ATOM 0 HB3 PHE A 13 -6.169 5.917 4.578 1.00 0.00 H new ATOM 0 HD1 PHE A 13 -3.939 6.892 5.390 1.00 0.00 H new ATOM 0 HD2 PHE A 13 -6.222 4.114 7.674 1.00 0.00 H new ATOM 0 HE1 PHE A 13 -1.941 6.336 6.708 1.00 0.00 H new ATOM 0 HE2 PHE A 13 -4.226 3.556 8.993 1.00 0.00 H new ATOM 0 HZ PHE A 13 -2.083 4.670 8.515 1.00 0.00 H new ATOM 174 N ALA A 14 -8.600 8.435 4.588 1.00 0.00 N ATOM 175 CA ALA A 14 -9.847 8.691 3.878 1.00 0.00 C ATOM 176 C ALA A 14 -10.210 7.524 2.967 1.00 0.00 C ATOM 177 O ALA A 14 -9.354 6.976 2.273 1.00 0.00 O ATOM 178 CB ALA A 14 -9.741 9.978 3.073 1.00 0.00 C ATOM 0 H ALA A 14 -7.882 9.147 4.451 1.00 0.00 H new ATOM 0 HA ALA A 14 -10.641 8.801 4.617 1.00 0.00 H new ATOM 0 HB1 ALA A 14 -10.679 10.157 2.548 1.00 0.00 H new ATOM 0 HB2 ALA A 14 -9.536 10.812 3.745 1.00 0.00 H new ATOM 0 HB3 ALA A 14 -8.931 9.889 2.349 1.00 0.00 H new ATOM 184 N ASP A 15 -11.484 7.148 2.975 1.00 0.00 N ATOM 185 CA ASP A 15 -11.961 6.045 2.148 1.00 0.00 C ATOM 186 C ASP A 15 -11.522 6.223 0.698 1.00 0.00 C ATOM 187 O ASP A 15 -11.780 7.256 0.083 1.00 0.00 O ATOM 188 CB ASP A 15 -13.485 5.945 2.223 1.00 0.00 C ATOM 189 CG ASP A 15 -14.177 7.062 1.467 1.00 0.00 C ATOM 190 OD1 ASP A 15 -13.882 8.242 1.751 1.00 0.00 O ATOM 191 OD2 ASP A 15 -15.013 6.756 0.591 1.00 0.00 O ATOM 0 H ASP A 15 -12.205 7.590 3.545 1.00 0.00 H new ATOM 0 HA ASP A 15 -11.525 5.122 2.530 1.00 0.00 H new ATOM 0 HB2 ASP A 15 -13.803 4.985 1.818 1.00 0.00 H new ATOM 0 HB3 ASP A 15 -13.797 5.970 3.267 1.00 0.00 H new ATOM 196 N GLY A 16 -10.854 5.207 0.159 1.00 0.00 N ATOM 197 CA GLY A 16 -10.388 5.272 -1.214 1.00 0.00 C ATOM 198 C GLY A 16 -9.000 5.872 -1.328 1.00 0.00 C ATOM 199 O GLY A 16 -8.251 5.547 -2.249 1.00 0.00 O ATOM 0 H GLY A 16 -10.628 4.341 0.648 1.00 0.00 H new ATOM 0 HA2 GLY A 16 -10.383 4.269 -1.640 1.00 0.00 H new ATOM 0 HA3 GLY A 16 -11.087 5.866 -1.804 1.00 0.00 H new ATOM 203 N GLU A 17 -8.658 6.750 -0.391 1.00 0.00 N ATOM 204 CA GLU A 17 -7.352 7.398 -0.392 1.00 0.00 C ATOM 205 C GLU A 17 -6.251 6.401 -0.743 1.00 0.00 C ATOM 206 O GLU A 17 -6.273 5.253 -0.300 1.00 0.00 O ATOM 207 CB GLU A 17 -7.069 8.028 0.973 1.00 0.00 C ATOM 208 CG GLU A 17 -6.029 9.135 0.929 1.00 0.00 C ATOM 209 CD GLU A 17 -5.243 9.250 2.220 1.00 0.00 C ATOM 210 OE1 GLU A 17 -5.197 8.258 2.977 1.00 0.00 O ATOM 211 OE2 GLU A 17 -4.674 10.332 2.474 1.00 0.00 O ATOM 0 H GLU A 17 -9.267 7.029 0.378 1.00 0.00 H new ATOM 0 HA GLU A 17 -7.364 8.182 -1.150 1.00 0.00 H new ATOM 0 HB2 GLU A 17 -7.998 8.430 1.378 1.00 0.00 H new ATOM 0 HB3 GLU A 17 -6.732 7.251 1.659 1.00 0.00 H new ATOM 0 HG2 GLU A 17 -5.341 8.949 0.105 1.00 0.00 H new ATOM 0 HG3 GLU A 17 -6.523 10.084 0.723 1.00 0.00 H new ATOM 218 N VAL A 18 -5.288 6.849 -1.542 1.00 0.00 N ATOM 219 CA VAL A 18 -4.177 5.998 -1.952 1.00 0.00 C ATOM 220 C VAL A 18 -2.996 6.139 -0.999 1.00 0.00 C ATOM 221 O VAL A 18 -2.216 7.086 -1.095 1.00 0.00 O ATOM 222 CB VAL A 18 -3.712 6.333 -3.382 1.00 0.00 C ATOM 223 CG1 VAL A 18 -2.558 5.431 -3.793 1.00 0.00 C ATOM 224 CG2 VAL A 18 -4.870 6.211 -4.361 1.00 0.00 C ATOM 0 H VAL A 18 -5.255 7.796 -1.918 1.00 0.00 H new ATOM 0 HA VAL A 18 -4.539 4.970 -1.927 1.00 0.00 H new ATOM 0 HB VAL A 18 -3.359 7.364 -3.399 1.00 0.00 H new ATOM 0 HG11 VAL A 18 -2.243 5.682 -4.806 1.00 0.00 H new ATOM 0 HG12 VAL A 18 -1.723 5.573 -3.107 1.00 0.00 H new ATOM 0 HG13 VAL A 18 -2.880 4.390 -3.761 1.00 0.00 H new ATOM 0 HG21 VAL A 18 -4.524 6.451 -5.366 1.00 0.00 H new ATOM 0 HG22 VAL A 18 -5.255 5.191 -4.344 1.00 0.00 H new ATOM 0 HG23 VAL A 18 -5.662 6.903 -4.075 1.00 0.00 H new ATOM 234 N VAL A 19 -2.869 5.188 -0.078 1.00 0.00 N ATOM 235 CA VAL A 19 -1.781 5.205 0.893 1.00 0.00 C ATOM 236 C VAL A 19 -0.901 3.968 0.753 1.00 0.00 C ATOM 237 O VAL A 19 -1.176 3.087 -0.062 1.00 0.00 O ATOM 238 CB VAL A 19 -2.317 5.280 2.335 1.00 0.00 C ATOM 239 CG1 VAL A 19 -3.047 6.594 2.565 1.00 0.00 C ATOM 240 CG2 VAL A 19 -3.227 4.097 2.627 1.00 0.00 C ATOM 0 H VAL A 19 -3.506 4.397 0.016 1.00 0.00 H new ATOM 0 HA VAL A 19 -1.187 6.095 0.688 1.00 0.00 H new ATOM 0 HB VAL A 19 -1.471 5.237 3.021 1.00 0.00 H new ATOM 0 HG11 VAL A 19 -3.419 6.629 3.589 1.00 0.00 H new ATOM 0 HG12 VAL A 19 -2.361 7.425 2.399 1.00 0.00 H new ATOM 0 HG13 VAL A 19 -3.885 6.671 1.872 1.00 0.00 H new ATOM 0 HG21 VAL A 19 -3.597 4.166 3.650 1.00 0.00 H new ATOM 0 HG22 VAL A 19 -4.069 4.107 1.935 1.00 0.00 H new ATOM 0 HG23 VAL A 19 -2.668 3.169 2.505 1.00 0.00 H new ATOM 250 N ARG A 20 0.158 3.908 1.554 1.00 0.00 N ATOM 251 CA ARG A 20 1.079 2.779 1.519 1.00 0.00 C ATOM 252 C ARG A 20 0.717 1.749 2.586 1.00 0.00 C ATOM 253 O ARG A 20 0.492 2.093 3.745 1.00 0.00 O ATOM 254 CB ARG A 20 2.517 3.259 1.727 1.00 0.00 C ATOM 255 CG ARG A 20 2.964 4.297 0.711 1.00 0.00 C ATOM 256 CD ARG A 20 2.926 3.744 -0.705 1.00 0.00 C ATOM 257 NE ARG A 20 3.766 4.516 -1.617 1.00 0.00 N ATOM 258 CZ ARG A 20 5.077 4.340 -1.736 1.00 0.00 C ATOM 259 NH1 ARG A 20 5.695 3.424 -1.004 1.00 0.00 N ATOM 260 NH2 ARG A 20 5.773 5.082 -2.588 1.00 0.00 N ATOM 0 H ARG A 20 0.399 4.628 2.235 1.00 0.00 H new ATOM 0 HA ARG A 20 0.998 2.307 0.540 1.00 0.00 H new ATOM 0 HB2 ARG A 20 2.610 3.679 2.728 1.00 0.00 H new ATOM 0 HB3 ARG A 20 3.188 2.402 1.678 1.00 0.00 H new ATOM 0 HG2 ARG A 20 2.320 5.174 0.778 1.00 0.00 H new ATOM 0 HG3 ARG A 20 3.976 4.626 0.947 1.00 0.00 H new ATOM 0 HD2 ARG A 20 3.258 2.706 -0.698 1.00 0.00 H new ATOM 0 HD3 ARG A 20 1.898 3.748 -1.068 1.00 0.00 H new ATOM 0 HE ARG A 20 3.321 5.230 -2.194 1.00 0.00 H new ATOM 0 HH11 ARG A 20 5.164 2.852 -0.347 1.00 0.00 H new ATOM 0 HH12 ARG A 20 6.702 3.291 -1.097 1.00 0.00 H new ATOM 0 HH21 ARG A 20 5.301 5.789 -3.152 1.00 0.00 H new ATOM 0 HH22 ARG A 20 6.780 4.946 -2.678 1.00 0.00 H new ATOM 274 N GLY A 21 0.663 0.482 2.184 1.00 0.00 N ATOM 275 CA GLY A 21 0.327 -0.578 3.116 1.00 0.00 C ATOM 276 C GLY A 21 1.360 -1.687 3.130 1.00 0.00 C ATOM 277 O GLY A 21 1.613 -2.322 2.106 1.00 0.00 O ATOM 0 H GLY A 21 0.846 0.172 1.230 1.00 0.00 H new ATOM 0 HA2 GLY A 21 0.234 -0.160 4.118 1.00 0.00 H new ATOM 0 HA3 GLY A 21 -0.645 -0.995 2.852 1.00 0.00 H new ATOM 281 N ARG A 22 1.961 -1.920 4.292 1.00 0.00 N ATOM 282 CA ARG A 22 2.975 -2.957 4.434 1.00 0.00 C ATOM 283 C ARG A 22 2.383 -4.337 4.159 1.00 0.00 C ATOM 284 O ARG A 22 1.454 -4.771 4.840 1.00 0.00 O ATOM 285 CB ARG A 22 3.580 -2.920 5.838 1.00 0.00 C ATOM 286 CG ARG A 22 4.650 -3.976 6.068 1.00 0.00 C ATOM 287 CD ARG A 22 5.036 -4.066 7.536 1.00 0.00 C ATOM 288 NE ARG A 22 6.142 -3.170 7.867 1.00 0.00 N ATOM 289 CZ ARG A 22 6.504 -2.879 9.112 1.00 0.00 C ATOM 290 NH1 ARG A 22 5.852 -3.409 10.137 1.00 0.00 N ATOM 291 NH2 ARG A 22 7.520 -2.055 9.332 1.00 0.00 N ATOM 0 H ARG A 22 1.763 -1.404 5.149 1.00 0.00 H new ATOM 0 HA ARG A 22 3.760 -2.765 3.703 1.00 0.00 H new ATOM 0 HB2 ARG A 22 4.011 -1.934 6.013 1.00 0.00 H new ATOM 0 HB3 ARG A 22 2.785 -3.055 6.571 1.00 0.00 H new ATOM 0 HG2 ARG A 22 4.286 -4.945 5.726 1.00 0.00 H new ATOM 0 HG3 ARG A 22 5.532 -3.738 5.473 1.00 0.00 H new ATOM 0 HD2 ARG A 22 4.172 -3.820 8.154 1.00 0.00 H new ATOM 0 HD3 ARG A 22 5.316 -5.092 7.775 1.00 0.00 H new ATOM 0 HE ARG A 22 6.664 -2.745 7.101 1.00 0.00 H new ATOM 0 HH11 ARG A 22 5.070 -4.042 9.971 1.00 0.00 H new ATOM 0 HH12 ARG A 22 6.132 -3.184 11.091 1.00 0.00 H new ATOM 0 HH21 ARG A 22 8.023 -1.645 8.545 1.00 0.00 H new ATOM 0 HH22 ARG A 22 7.798 -1.832 10.288 1.00 0.00 H new ATOM 305 N TRP A 23 2.927 -5.020 3.159 1.00 0.00 N ATOM 306 CA TRP A 23 2.452 -6.350 2.794 1.00 0.00 C ATOM 307 C TRP A 23 2.447 -7.277 4.005 1.00 0.00 C ATOM 308 O TRP A 23 3.364 -7.268 4.826 1.00 0.00 O ATOM 309 CB TRP A 23 3.327 -6.940 1.687 1.00 0.00 C ATOM 310 CG TRP A 23 2.680 -8.082 0.964 1.00 0.00 C ATOM 311 CD1 TRP A 23 2.962 -9.410 1.108 1.00 0.00 C ATOM 312 CD2 TRP A 23 1.642 -7.995 -0.019 1.00 0.00 C ATOM 313 NE1 TRP A 23 2.163 -10.154 0.274 1.00 0.00 N ATOM 314 CE2 TRP A 23 1.343 -9.310 -0.427 1.00 0.00 C ATOM 315 CE3 TRP A 23 0.934 -6.935 -0.593 1.00 0.00 C ATOM 316 CZ2 TRP A 23 0.370 -9.590 -1.382 1.00 0.00 C ATOM 317 CZ3 TRP A 23 -0.031 -7.214 -1.541 1.00 0.00 C ATOM 318 CH2 TRP A 23 -0.307 -8.533 -1.927 1.00 0.00 C ATOM 0 H TRP A 23 3.697 -4.675 2.586 1.00 0.00 H new ATOM 0 HA TRP A 23 1.430 -6.256 2.428 1.00 0.00 H new ATOM 0 HB2 TRP A 23 3.570 -6.156 0.970 1.00 0.00 H new ATOM 0 HB3 TRP A 23 4.268 -7.280 2.120 1.00 0.00 H new ATOM 0 HD1 TRP A 23 3.704 -9.816 1.779 1.00 0.00 H new ATOM 0 HE1 TRP A 23 2.178 -11.170 0.190 1.00 0.00 H new ATOM 0 HE3 TRP A 23 1.138 -5.916 -0.300 1.00 0.00 H new ATOM 0 HZ2 TRP A 23 0.157 -10.605 -1.682 1.00 0.00 H new ATOM 0 HZ3 TRP A 23 -0.582 -6.402 -1.992 1.00 0.00 H new ATOM 0 HH2 TRP A 23 -1.069 -8.719 -2.669 1.00 0.00 H new ATOM 329 N PRO A 24 1.392 -8.096 4.120 1.00 0.00 N ATOM 330 CA PRO A 24 1.243 -9.045 5.227 1.00 0.00 C ATOM 331 C PRO A 24 2.247 -10.190 5.148 1.00 0.00 C ATOM 332 O PRO A 24 2.225 -11.106 5.969 1.00 0.00 O ATOM 333 CB PRO A 24 -0.183 -9.572 5.053 1.00 0.00 C ATOM 334 CG PRO A 24 -0.478 -9.397 3.604 1.00 0.00 C ATOM 335 CD PRO A 24 0.262 -8.160 3.177 1.00 0.00 C ATOM 0 HA PRO A 24 1.423 -8.575 6.194 1.00 0.00 H new ATOM 0 HB2 PRO A 24 -0.257 -10.619 5.348 1.00 0.00 H new ATOM 0 HB3 PRO A 24 -0.888 -9.016 5.670 1.00 0.00 H new ATOM 0 HG2 PRO A 24 -0.150 -10.265 3.032 1.00 0.00 H new ATOM 0 HG3 PRO A 24 -1.549 -9.289 3.434 1.00 0.00 H new ATOM 0 HD2 PRO A 24 0.604 -8.232 2.145 1.00 0.00 H new ATOM 0 HD3 PRO A 24 -0.367 -7.272 3.243 1.00 0.00 H new ATOM 343 N GLY A 25 3.129 -10.131 4.154 1.00 0.00 N ATOM 344 CA GLY A 25 4.129 -11.169 3.987 1.00 0.00 C ATOM 345 C GLY A 25 5.543 -10.629 4.065 1.00 0.00 C ATOM 346 O GLY A 25 6.422 -11.254 4.660 1.00 0.00 O ATOM 0 H GLY A 25 3.168 -9.383 3.462 1.00 0.00 H new ATOM 0 HA2 GLY A 25 3.991 -11.929 4.756 1.00 0.00 H new ATOM 0 HA3 GLY A 25 3.983 -11.659 3.024 1.00 0.00 H new ATOM 350 N SER A 26 5.765 -9.465 3.462 1.00 0.00 N ATOM 351 CA SER A 26 7.084 -8.844 3.461 1.00 0.00 C ATOM 352 C SER A 26 7.082 -7.563 4.290 1.00 0.00 C ATOM 353 O SER A 26 6.031 -7.097 4.729 1.00 0.00 O ATOM 354 CB SER A 26 7.526 -8.538 2.029 1.00 0.00 C ATOM 355 OG SER A 26 8.937 -8.593 1.907 1.00 0.00 O ATOM 0 H SER A 26 5.048 -8.933 2.968 1.00 0.00 H new ATOM 0 HA SER A 26 7.789 -9.545 3.909 1.00 0.00 H new ATOM 0 HB2 SER A 26 7.071 -9.253 1.344 1.00 0.00 H new ATOM 0 HB3 SER A 26 7.171 -7.549 1.739 1.00 0.00 H new ATOM 0 HG SER A 26 9.193 -8.395 0.982 1.00 0.00 H new ATOM 361 N SER A 27 8.267 -6.999 4.499 1.00 0.00 N ATOM 362 CA SER A 27 8.404 -5.774 5.278 1.00 0.00 C ATOM 363 C SER A 27 8.523 -4.559 4.363 1.00 0.00 C ATOM 364 O SER A 27 9.167 -3.567 4.709 1.00 0.00 O ATOM 365 CB SER A 27 9.628 -5.860 6.192 1.00 0.00 C ATOM 366 OG SER A 27 10.828 -5.704 5.455 1.00 0.00 O ATOM 0 H SER A 27 9.146 -7.371 4.140 1.00 0.00 H new ATOM 0 HA SER A 27 7.509 -5.660 5.890 1.00 0.00 H new ATOM 0 HB2 SER A 27 9.567 -5.089 6.960 1.00 0.00 H new ATOM 0 HB3 SER A 27 9.635 -6.822 6.705 1.00 0.00 H new ATOM 0 HG SER A 27 11.595 -5.761 6.063 1.00 0.00 H new ATOM 372 N LEU A 28 7.898 -4.643 3.194 1.00 0.00 N ATOM 373 CA LEU A 28 7.933 -3.551 2.227 1.00 0.00 C ATOM 374 C LEU A 28 6.542 -2.962 2.021 1.00 0.00 C ATOM 375 O LEU A 28 5.566 -3.694 1.847 1.00 0.00 O ATOM 376 CB LEU A 28 8.494 -4.044 0.892 1.00 0.00 C ATOM 377 CG LEU A 28 9.974 -4.428 0.886 1.00 0.00 C ATOM 378 CD1 LEU A 28 10.339 -5.131 -0.412 1.00 0.00 C ATOM 379 CD2 LEU A 28 10.845 -3.197 1.090 1.00 0.00 C ATOM 0 H LEU A 28 7.361 -5.456 2.892 1.00 0.00 H new ATOM 0 HA LEU A 28 8.583 -2.770 2.621 1.00 0.00 H new ATOM 0 HB2 LEU A 28 7.913 -4.910 0.575 1.00 0.00 H new ATOM 0 HB3 LEU A 28 8.338 -3.265 0.146 1.00 0.00 H new ATOM 0 HG LEU A 28 10.153 -5.117 1.711 1.00 0.00 H new ATOM 0 HD11 LEU A 28 11.396 -5.396 -0.397 1.00 0.00 H new ATOM 0 HD12 LEU A 28 9.739 -6.035 -0.517 1.00 0.00 H new ATOM 0 HD13 LEU A 28 10.144 -4.466 -1.253 1.00 0.00 H new ATOM 0 HD21 LEU A 28 11.895 -3.489 1.083 1.00 0.00 H new ATOM 0 HD22 LEU A 28 10.661 -2.484 0.286 1.00 0.00 H new ATOM 0 HD23 LEU A 28 10.603 -2.735 2.047 1.00 0.00 H new ATOM 391 N TYR A 29 6.457 -1.637 2.038 1.00 0.00 N ATOM 392 CA TYR A 29 5.185 -0.949 1.853 1.00 0.00 C ATOM 393 C TYR A 29 4.936 -0.651 0.378 1.00 0.00 C ATOM 394 O TYR A 29 5.825 -0.179 -0.331 1.00 0.00 O ATOM 395 CB TYR A 29 5.162 0.351 2.658 1.00 0.00 C ATOM 396 CG TYR A 29 5.266 0.141 4.152 1.00 0.00 C ATOM 397 CD1 TYR A 29 6.385 -0.462 4.712 1.00 0.00 C ATOM 398 CD2 TYR A 29 4.245 0.546 5.003 1.00 0.00 C ATOM 399 CE1 TYR A 29 6.484 -0.657 6.076 1.00 0.00 C ATOM 400 CE2 TYR A 29 4.336 0.357 6.368 1.00 0.00 C ATOM 401 CZ TYR A 29 5.457 -0.246 6.900 1.00 0.00 C ATOM 402 OH TYR A 29 5.553 -0.437 8.259 1.00 0.00 O ATOM 0 H TYR A 29 7.255 -1.017 2.178 1.00 0.00 H new ATOM 0 HA TYR A 29 4.392 -1.605 2.212 1.00 0.00 H new ATOM 0 HB2 TYR A 29 5.986 0.986 2.331 1.00 0.00 H new ATOM 0 HB3 TYR A 29 4.239 0.888 2.439 1.00 0.00 H new ATOM 0 HD1 TYR A 29 7.192 -0.784 4.070 1.00 0.00 H new ATOM 0 HD2 TYR A 29 3.365 1.017 4.590 1.00 0.00 H new ATOM 0 HE1 TYR A 29 7.361 -1.129 6.495 1.00 0.00 H new ATOM 0 HE2 TYR A 29 3.534 0.679 7.015 1.00 0.00 H new ATOM 0 HH TYR A 29 4.747 -0.091 8.696 1.00 0.00 H new ATOM 412 N TYR A 30 3.720 -0.931 -0.078 1.00 0.00 N ATOM 413 CA TYR A 30 3.353 -0.695 -1.469 1.00 0.00 C ATOM 414 C TYR A 30 2.132 0.215 -1.564 1.00 0.00 C ATOM 415 O TYR A 30 1.459 0.473 -0.567 1.00 0.00 O ATOM 416 CB TYR A 30 3.070 -2.022 -2.176 1.00 0.00 C ATOM 417 CG TYR A 30 4.254 -2.962 -2.196 1.00 0.00 C ATOM 418 CD1 TYR A 30 5.309 -2.762 -3.077 1.00 0.00 C ATOM 419 CD2 TYR A 30 4.316 -4.051 -1.335 1.00 0.00 C ATOM 420 CE1 TYR A 30 6.393 -3.619 -3.099 1.00 0.00 C ATOM 421 CE2 TYR A 30 5.397 -4.912 -1.349 1.00 0.00 C ATOM 422 CZ TYR A 30 6.432 -4.692 -2.233 1.00 0.00 C ATOM 423 OH TYR A 30 7.509 -5.548 -2.252 1.00 0.00 O ATOM 0 H TYR A 30 2.972 -1.322 0.495 1.00 0.00 H new ATOM 0 HA TYR A 30 4.191 -0.200 -1.960 1.00 0.00 H new ATOM 0 HB2 TYR A 30 2.233 -2.516 -1.682 1.00 0.00 H new ATOM 0 HB3 TYR A 30 2.761 -1.819 -3.201 1.00 0.00 H new ATOM 0 HD1 TYR A 30 5.282 -1.923 -3.756 1.00 0.00 H new ATOM 0 HD2 TYR A 30 3.506 -4.228 -0.643 1.00 0.00 H new ATOM 0 HE1 TYR A 30 7.205 -3.450 -3.790 1.00 0.00 H new ATOM 0 HE2 TYR A 30 5.431 -5.752 -0.671 1.00 0.00 H new ATOM 0 HH TYR A 30 7.381 -6.250 -1.580 1.00 0.00 H new ATOM 433 N GLU A 31 1.853 0.697 -2.771 1.00 0.00 N ATOM 434 CA GLU A 31 0.714 1.578 -2.997 1.00 0.00 C ATOM 435 C GLU A 31 -0.596 0.798 -2.944 1.00 0.00 C ATOM 436 O GLU A 31 -0.785 -0.171 -3.680 1.00 0.00 O ATOM 437 CB GLU A 31 0.846 2.284 -4.348 1.00 0.00 C ATOM 438 CG GLU A 31 -0.203 3.358 -4.579 1.00 0.00 C ATOM 439 CD GLU A 31 0.164 4.299 -5.710 1.00 0.00 C ATOM 440 OE1 GLU A 31 0.914 5.266 -5.459 1.00 0.00 O ATOM 441 OE2 GLU A 31 -0.298 4.067 -6.847 1.00 0.00 O ATOM 0 H GLU A 31 2.400 0.492 -3.607 1.00 0.00 H new ATOM 0 HA GLU A 31 0.704 2.326 -2.204 1.00 0.00 H new ATOM 0 HB2 GLU A 31 1.836 2.734 -4.418 1.00 0.00 H new ATOM 0 HB3 GLU A 31 0.776 1.543 -5.144 1.00 0.00 H new ATOM 0 HG2 GLU A 31 -1.159 2.885 -4.801 1.00 0.00 H new ATOM 0 HG3 GLU A 31 -0.337 3.933 -3.662 1.00 0.00 H new ATOM 448 N VAL A 32 -1.499 1.227 -2.068 1.00 0.00 N ATOM 449 CA VAL A 32 -2.792 0.570 -1.918 1.00 0.00 C ATOM 450 C VAL A 32 -3.895 1.584 -1.637 1.00 0.00 C ATOM 451 O VAL A 32 -3.629 2.689 -1.165 1.00 0.00 O ATOM 452 CB VAL A 32 -2.765 -0.471 -0.783 1.00 0.00 C ATOM 453 CG1 VAL A 32 -1.750 -1.564 -1.084 1.00 0.00 C ATOM 454 CG2 VAL A 32 -2.459 0.200 0.547 1.00 0.00 C ATOM 0 H VAL A 32 -1.359 2.027 -1.451 1.00 0.00 H new ATOM 0 HA VAL A 32 -3.000 0.063 -2.860 1.00 0.00 H new ATOM 0 HB VAL A 32 -3.750 -0.933 -0.713 1.00 0.00 H new ATOM 0 HG11 VAL A 32 -1.745 -2.290 -0.271 1.00 0.00 H new ATOM 0 HG12 VAL A 32 -2.018 -2.063 -2.015 1.00 0.00 H new ATOM 0 HG13 VAL A 32 -0.758 -1.123 -1.182 1.00 0.00 H new ATOM 0 HG21 VAL A 32 -2.444 -0.550 1.338 1.00 0.00 H new ATOM 0 HG22 VAL A 32 -1.487 0.690 0.492 1.00 0.00 H new ATOM 0 HG23 VAL A 32 -3.227 0.942 0.765 1.00 0.00 H new ATOM 464 N GLU A 33 -5.134 1.200 -1.929 1.00 0.00 N ATOM 465 CA GLU A 33 -6.277 2.077 -1.707 1.00 0.00 C ATOM 466 C GLU A 33 -7.117 1.588 -0.531 1.00 0.00 C ATOM 467 O GLU A 33 -7.184 0.390 -0.258 1.00 0.00 O ATOM 468 CB GLU A 33 -7.140 2.155 -2.968 1.00 0.00 C ATOM 469 CG GLU A 33 -8.576 2.574 -2.697 1.00 0.00 C ATOM 470 CD GLU A 33 -9.268 3.116 -3.933 1.00 0.00 C ATOM 471 OE1 GLU A 33 -8.792 4.133 -4.481 1.00 0.00 O ATOM 472 OE2 GLU A 33 -10.284 2.525 -4.352 1.00 0.00 O ATOM 0 H GLU A 33 -5.371 0.288 -2.320 1.00 0.00 H new ATOM 0 HA GLU A 33 -5.899 3.072 -1.472 1.00 0.00 H new ATOM 0 HB2 GLU A 33 -6.689 2.862 -3.664 1.00 0.00 H new ATOM 0 HB3 GLU A 33 -7.141 1.182 -3.459 1.00 0.00 H new ATOM 0 HG2 GLU A 33 -9.135 1.718 -2.318 1.00 0.00 H new ATOM 0 HG3 GLU A 33 -8.588 3.334 -1.916 1.00 0.00 H new ATOM 479 N ILE A 34 -7.756 2.525 0.162 1.00 0.00 N ATOM 480 CA ILE A 34 -8.592 2.190 1.308 1.00 0.00 C ATOM 481 C ILE A 34 -9.999 1.801 0.867 1.00 0.00 C ATOM 482 O ILE A 34 -10.684 2.568 0.188 1.00 0.00 O ATOM 483 CB ILE A 34 -8.685 3.365 2.300 1.00 0.00 C ATOM 484 CG1 ILE A 34 -7.288 3.766 2.780 1.00 0.00 C ATOM 485 CG2 ILE A 34 -9.570 2.993 3.480 1.00 0.00 C ATOM 486 CD1 ILE A 34 -6.697 2.805 3.788 1.00 0.00 C ATOM 0 H ILE A 34 -7.711 3.522 -0.050 1.00 0.00 H new ATOM 0 HA ILE A 34 -8.121 1.342 1.804 1.00 0.00 H new ATOM 0 HB ILE A 34 -9.133 4.218 1.790 1.00 0.00 H new ATOM 0 HG12 ILE A 34 -6.622 3.832 1.920 1.00 0.00 H new ATOM 0 HG13 ILE A 34 -7.336 4.761 3.223 1.00 0.00 H new ATOM 0 HG21 ILE A 34 -9.626 3.833 4.172 1.00 0.00 H new ATOM 0 HG22 ILE A 34 -10.571 2.750 3.122 1.00 0.00 H new ATOM 0 HG23 ILE A 34 -9.149 2.128 3.993 1.00 0.00 H new ATOM 0 HD11 ILE A 34 -5.707 3.151 4.084 1.00 0.00 H new ATOM 0 HD12 ILE A 34 -7.342 2.756 4.666 1.00 0.00 H new ATOM 0 HD13 ILE A 34 -6.616 1.814 3.342 1.00 0.00 H new ATOM 498 N LEU A 35 -10.426 0.605 1.258 1.00 0.00 N ATOM 499 CA LEU A 35 -11.753 0.113 0.904 1.00 0.00 C ATOM 500 C LEU A 35 -12.733 0.315 2.056 1.00 0.00 C ATOM 501 O LEU A 35 -13.821 0.860 1.870 1.00 0.00 O ATOM 502 CB LEU A 35 -11.686 -1.368 0.530 1.00 0.00 C ATOM 503 CG LEU A 35 -10.682 -1.741 -0.561 1.00 0.00 C ATOM 504 CD1 LEU A 35 -10.679 -3.243 -0.794 1.00 0.00 C ATOM 505 CD2 LEU A 35 -10.998 -1.000 -1.852 1.00 0.00 C ATOM 0 H LEU A 35 -9.873 -0.042 1.820 1.00 0.00 H new ATOM 0 HA LEU A 35 -12.108 0.682 0.045 1.00 0.00 H new ATOM 0 HB2 LEU A 35 -11.445 -1.938 1.427 1.00 0.00 H new ATOM 0 HB3 LEU A 35 -12.677 -1.686 0.207 1.00 0.00 H new ATOM 0 HG LEU A 35 -9.687 -1.444 -0.229 1.00 0.00 H new ATOM 0 HD11 LEU A 35 -9.958 -3.489 -1.574 1.00 0.00 H new ATOM 0 HD12 LEU A 35 -10.404 -3.754 0.129 1.00 0.00 H new ATOM 0 HD13 LEU A 35 -11.673 -3.565 -1.104 1.00 0.00 H new ATOM 0 HD21 LEU A 35 -10.273 -1.278 -2.618 1.00 0.00 H new ATOM 0 HD22 LEU A 35 -12.000 -1.265 -2.188 1.00 0.00 H new ATOM 0 HD23 LEU A 35 -10.947 0.075 -1.677 1.00 0.00 H new ATOM 517 N SER A 36 -12.338 -0.126 3.246 1.00 0.00 N ATOM 518 CA SER A 36 -13.182 0.004 4.428 1.00 0.00 C ATOM 519 C SER A 36 -12.341 -0.007 5.700 1.00 0.00 C ATOM 520 O SER A 36 -11.143 -0.293 5.664 1.00 0.00 O ATOM 521 CB SER A 36 -14.212 -1.127 4.473 1.00 0.00 C ATOM 522 OG SER A 36 -15.359 -0.803 3.707 1.00 0.00 O ATOM 0 H SER A 36 -11.439 -0.576 3.417 1.00 0.00 H new ATOM 0 HA SER A 36 -13.705 0.959 4.367 1.00 0.00 H new ATOM 0 HB2 SER A 36 -13.765 -2.046 4.093 1.00 0.00 H new ATOM 0 HB3 SER A 36 -14.503 -1.317 5.506 1.00 0.00 H new ATOM 0 HG SER A 36 -15.101 -0.222 2.961 1.00 0.00 H new ATOM 528 N HIS A 37 -12.976 0.305 6.826 1.00 0.00 N ATOM 529 CA HIS A 37 -12.287 0.330 8.111 1.00 0.00 C ATOM 530 C HIS A 37 -13.080 -0.433 9.168 1.00 0.00 C ATOM 531 O HIS A 37 -14.105 0.046 9.653 1.00 0.00 O ATOM 532 CB HIS A 37 -12.065 1.773 8.566 1.00 0.00 C ATOM 533 CG HIS A 37 -12.025 1.932 10.055 1.00 0.00 C ATOM 534 ND1 HIS A 37 -11.272 1.123 10.879 1.00 0.00 N ATOM 535 CD2 HIS A 37 -12.651 2.815 10.868 1.00 0.00 C ATOM 536 CE1 HIS A 37 -11.437 1.500 12.134 1.00 0.00 C ATOM 537 NE2 HIS A 37 -12.269 2.525 12.154 1.00 0.00 N ATOM 0 H HIS A 37 -13.966 0.544 6.874 1.00 0.00 H new ATOM 0 HA HIS A 37 -11.320 -0.157 7.986 1.00 0.00 H new ATOM 0 HB2 HIS A 37 -11.128 2.138 8.145 1.00 0.00 H new ATOM 0 HB3 HIS A 37 -12.861 2.399 8.163 1.00 0.00 H new ATOM 0 HD1 HIS A 37 -10.680 0.353 10.568 1.00 0.00 H new ATOM 0 HD2 HIS A 37 -13.325 3.601 10.562 1.00 0.00 H new ATOM 0 HE1 HIS A 37 -10.971 1.047 12.997 1.00 0.00 H new ATOM 546 N ASP A 38 -12.600 -1.621 9.518 1.00 0.00 N ATOM 547 CA ASP A 38 -13.264 -2.450 10.517 1.00 0.00 C ATOM 548 C ASP A 38 -13.194 -1.800 11.896 1.00 0.00 C ATOM 549 O ASP A 38 -12.463 -0.831 12.100 1.00 0.00 O ATOM 550 CB ASP A 38 -12.628 -3.840 10.562 1.00 0.00 C ATOM 551 CG ASP A 38 -11.492 -3.925 11.562 1.00 0.00 C ATOM 552 OD1 ASP A 38 -10.851 -2.885 11.823 1.00 0.00 O ATOM 553 OD2 ASP A 38 -11.245 -5.032 12.085 1.00 0.00 O ATOM 0 H ASP A 38 -11.753 -2.032 9.125 1.00 0.00 H new ATOM 0 HA ASP A 38 -14.312 -2.548 10.234 1.00 0.00 H new ATOM 0 HB2 ASP A 38 -13.390 -4.577 10.818 1.00 0.00 H new ATOM 0 HB3 ASP A 38 -12.256 -4.098 9.571 1.00 0.00 H new ATOM 558 N SER A 39 -13.959 -2.340 12.838 1.00 0.00 N ATOM 559 CA SER A 39 -13.988 -1.810 14.197 1.00 0.00 C ATOM 560 C SER A 39 -13.858 -2.934 15.221 1.00 0.00 C ATOM 561 O SER A 39 -14.116 -2.740 16.410 1.00 0.00 O ATOM 562 CB SER A 39 -15.283 -1.033 14.437 1.00 0.00 C ATOM 563 OG SER A 39 -16.384 -1.912 14.590 1.00 0.00 O ATOM 0 H SER A 39 -14.567 -3.144 12.686 1.00 0.00 H new ATOM 0 HA SER A 39 -13.141 -1.134 14.315 1.00 0.00 H new ATOM 0 HB2 SER A 39 -15.180 -0.415 15.329 1.00 0.00 H new ATOM 0 HB3 SER A 39 -15.466 -0.358 13.601 1.00 0.00 H new ATOM 0 HG SER A 39 -17.200 -1.391 14.744 1.00 0.00 H new ATOM 569 N THR A 40 -13.456 -4.111 14.751 1.00 0.00 N ATOM 570 CA THR A 40 -13.293 -5.266 15.624 1.00 0.00 C ATOM 571 C THR A 40 -11.827 -5.673 15.730 1.00 0.00 C ATOM 572 O THR A 40 -11.268 -5.735 16.825 1.00 0.00 O ATOM 573 CB THR A 40 -14.112 -6.470 15.122 1.00 0.00 C ATOM 574 OG1 THR A 40 -15.506 -6.141 15.104 1.00 0.00 O ATOM 575 CG2 THR A 40 -13.885 -7.687 16.006 1.00 0.00 C ATOM 0 H THR A 40 -13.237 -4.289 13.771 1.00 0.00 H new ATOM 0 HA THR A 40 -13.658 -4.972 16.608 1.00 0.00 H new ATOM 0 HB THR A 40 -13.782 -6.709 14.111 1.00 0.00 H new ATOM 0 HG1 THR A 40 -16.020 -6.911 14.782 1.00 0.00 H new ATOM 0 HG21 THR A 40 -14.474 -8.524 15.631 1.00 0.00 H new ATOM 0 HG22 THR A 40 -12.828 -7.953 15.994 1.00 0.00 H new ATOM 0 HG23 THR A 40 -14.190 -7.457 17.027 1.00 0.00 H new ATOM 583 N SER A 41 -11.210 -5.947 14.585 1.00 0.00 N ATOM 584 CA SER A 41 -9.809 -6.351 14.550 1.00 0.00 C ATOM 585 C SER A 41 -8.918 -5.184 14.134 1.00 0.00 C ATOM 586 O SER A 41 -7.708 -5.341 13.975 1.00 0.00 O ATOM 587 CB SER A 41 -9.618 -7.523 13.585 1.00 0.00 C ATOM 588 OG SER A 41 -9.879 -7.131 12.249 1.00 0.00 O ATOM 0 H SER A 41 -11.658 -5.897 13.670 1.00 0.00 H new ATOM 0 HA SER A 41 -9.522 -6.666 15.553 1.00 0.00 H new ATOM 0 HB2 SER A 41 -8.599 -7.901 13.664 1.00 0.00 H new ATOM 0 HB3 SER A 41 -10.283 -8.340 13.864 1.00 0.00 H new ATOM 0 HG SER A 41 -10.183 -6.199 12.235 1.00 0.00 H new ATOM 594 N GLN A 42 -9.527 -4.016 13.960 1.00 0.00 N ATOM 595 CA GLN A 42 -8.789 -2.823 13.562 1.00 0.00 C ATOM 596 C GLN A 42 -7.961 -3.087 12.309 1.00 0.00 C ATOM 597 O GLN A 42 -6.893 -2.503 12.123 1.00 0.00 O ATOM 598 CB GLN A 42 -7.879 -2.356 14.700 1.00 0.00 C ATOM 599 CG GLN A 42 -8.604 -1.553 15.768 1.00 0.00 C ATOM 600 CD GLN A 42 -8.661 -0.073 15.446 1.00 0.00 C ATOM 601 OE1 GLN A 42 -7.634 0.605 15.403 1.00 0.00 O ATOM 602 NE2 GLN A 42 -9.866 0.438 15.218 1.00 0.00 N ATOM 0 H GLN A 42 -10.528 -3.870 14.088 1.00 0.00 H new ATOM 0 HA GLN A 42 -9.512 -2.038 13.339 1.00 0.00 H new ATOM 0 HB2 GLN A 42 -7.415 -3.227 15.164 1.00 0.00 H new ATOM 0 HB3 GLN A 42 -7.074 -1.749 14.285 1.00 0.00 H new ATOM 0 HG2 GLN A 42 -9.618 -1.936 15.879 1.00 0.00 H new ATOM 0 HG3 GLN A 42 -8.103 -1.694 16.726 1.00 0.00 H new ATOM 0 HE21 GLN A 42 -10.691 -0.160 15.264 1.00 0.00 H new ATOM 0 HE22 GLN A 42 -9.966 1.429 14.997 1.00 0.00 H new ATOM 611 N LEU A 43 -8.460 -3.972 11.453 1.00 0.00 N ATOM 612 CA LEU A 43 -7.766 -4.315 10.216 1.00 0.00 C ATOM 613 C LEU A 43 -8.373 -3.577 9.028 1.00 0.00 C ATOM 614 O LEU A 43 -9.514 -3.834 8.642 1.00 0.00 O ATOM 615 CB LEU A 43 -7.824 -5.825 9.978 1.00 0.00 C ATOM 616 CG LEU A 43 -6.876 -6.676 10.824 1.00 0.00 C ATOM 617 CD1 LEU A 43 -7.242 -8.148 10.717 1.00 0.00 C ATOM 618 CD2 LEU A 43 -5.433 -6.450 10.398 1.00 0.00 C ATOM 0 H LEU A 43 -9.342 -4.465 11.592 1.00 0.00 H new ATOM 0 HA LEU A 43 -6.725 -4.009 10.316 1.00 0.00 H new ATOM 0 HB2 LEU A 43 -8.844 -6.162 10.161 1.00 0.00 H new ATOM 0 HB3 LEU A 43 -7.610 -6.015 8.926 1.00 0.00 H new ATOM 0 HG LEU A 43 -6.977 -6.373 11.866 1.00 0.00 H new ATOM 0 HD11 LEU A 43 -6.557 -8.738 11.325 1.00 0.00 H new ATOM 0 HD12 LEU A 43 -8.262 -8.296 11.072 1.00 0.00 H new ATOM 0 HD13 LEU A 43 -7.170 -8.466 9.677 1.00 0.00 H new ATOM 0 HD21 LEU A 43 -4.772 -7.064 11.011 1.00 0.00 H new ATOM 0 HD22 LEU A 43 -5.316 -6.726 9.350 1.00 0.00 H new ATOM 0 HD23 LEU A 43 -5.176 -5.399 10.528 1.00 0.00 H new ATOM 630 N TYR A 44 -7.604 -2.661 8.451 1.00 0.00 N ATOM 631 CA TYR A 44 -8.066 -1.885 7.306 1.00 0.00 C ATOM 632 C TYR A 44 -7.948 -2.693 6.017 1.00 0.00 C ATOM 633 O TYR A 44 -6.876 -3.198 5.682 1.00 0.00 O ATOM 634 CB TYR A 44 -7.263 -0.589 7.184 1.00 0.00 C ATOM 635 CG TYR A 44 -7.730 0.503 8.121 1.00 0.00 C ATOM 636 CD1 TYR A 44 -7.702 0.321 9.499 1.00 0.00 C ATOM 637 CD2 TYR A 44 -8.199 1.714 7.629 1.00 0.00 C ATOM 638 CE1 TYR A 44 -8.128 1.316 10.358 1.00 0.00 C ATOM 639 CE2 TYR A 44 -8.625 2.714 8.481 1.00 0.00 C ATOM 640 CZ TYR A 44 -8.588 2.510 9.845 1.00 0.00 C ATOM 641 OH TYR A 44 -9.013 3.504 10.697 1.00 0.00 O ATOM 0 H TYR A 44 -6.657 -2.437 8.757 1.00 0.00 H new ATOM 0 HA TYR A 44 -9.116 -1.640 7.465 1.00 0.00 H new ATOM 0 HB2 TYR A 44 -6.213 -0.802 7.383 1.00 0.00 H new ATOM 0 HB3 TYR A 44 -7.326 -0.227 6.158 1.00 0.00 H new ATOM 0 HD1 TYR A 44 -7.342 -0.613 9.905 1.00 0.00 H new ATOM 0 HD2 TYR A 44 -8.231 1.877 6.562 1.00 0.00 H new ATOM 0 HE1 TYR A 44 -8.101 1.159 11.426 1.00 0.00 H new ATOM 0 HE2 TYR A 44 -8.985 3.651 8.082 1.00 0.00 H new ATOM 0 HH TYR A 44 -8.851 4.379 10.286 1.00 0.00 H new ATOM 651 N THR A 45 -9.059 -2.810 5.297 1.00 0.00 N ATOM 652 CA THR A 45 -9.083 -3.556 4.045 1.00 0.00 C ATOM 653 C THR A 45 -8.631 -2.685 2.878 1.00 0.00 C ATOM 654 O THR A 45 -9.388 -1.849 2.384 1.00 0.00 O ATOM 655 CB THR A 45 -10.490 -4.107 3.745 1.00 0.00 C ATOM 656 OG1 THR A 45 -11.007 -4.782 4.897 1.00 0.00 O ATOM 657 CG2 THR A 45 -10.456 -5.063 2.563 1.00 0.00 C ATOM 0 H THR A 45 -9.954 -2.398 5.559 1.00 0.00 H new ATOM 0 HA THR A 45 -8.392 -4.391 4.161 1.00 0.00 H new ATOM 0 HB THR A 45 -11.139 -3.268 3.494 1.00 0.00 H new ATOM 0 HG1 THR A 45 -11.902 -5.128 4.699 1.00 0.00 H new ATOM 0 HG21 THR A 45 -11.461 -5.439 2.370 1.00 0.00 H new ATOM 0 HG22 THR A 45 -10.090 -4.538 1.681 1.00 0.00 H new ATOM 0 HG23 THR A 45 -9.793 -5.898 2.790 1.00 0.00 H new ATOM 665 N VAL A 46 -7.392 -2.887 2.439 1.00 0.00 N ATOM 666 CA VAL A 46 -6.840 -2.122 1.328 1.00 0.00 C ATOM 667 C VAL A 46 -6.753 -2.971 0.065 1.00 0.00 C ATOM 668 O VAL A 46 -6.666 -4.197 0.133 1.00 0.00 O ATOM 669 CB VAL A 46 -5.440 -1.575 1.664 1.00 0.00 C ATOM 670 CG1 VAL A 46 -5.501 -0.657 2.875 1.00 0.00 C ATOM 671 CG2 VAL A 46 -4.465 -2.719 1.899 1.00 0.00 C ATOM 0 H VAL A 46 -6.752 -3.574 2.837 1.00 0.00 H new ATOM 0 HA VAL A 46 -7.516 -1.285 1.153 1.00 0.00 H new ATOM 0 HB VAL A 46 -5.083 -0.992 0.815 1.00 0.00 H new ATOM 0 HG11 VAL A 46 -4.502 -0.281 3.097 1.00 0.00 H new ATOM 0 HG12 VAL A 46 -6.166 0.180 2.664 1.00 0.00 H new ATOM 0 HG13 VAL A 46 -5.879 -1.212 3.734 1.00 0.00 H new ATOM 0 HG21 VAL A 46 -3.480 -2.315 2.135 1.00 0.00 H new ATOM 0 HG22 VAL A 46 -4.815 -3.331 2.730 1.00 0.00 H new ATOM 0 HG23 VAL A 46 -4.400 -3.332 1.000 1.00 0.00 H new ATOM 681 N LYS A 47 -6.776 -2.311 -1.088 1.00 0.00 N ATOM 682 CA LYS A 47 -6.698 -3.004 -2.368 1.00 0.00 C ATOM 683 C LYS A 47 -5.473 -2.553 -3.157 1.00 0.00 C ATOM 684 O LYS A 47 -5.232 -1.356 -3.318 1.00 0.00 O ATOM 685 CB LYS A 47 -7.966 -2.751 -3.187 1.00 0.00 C ATOM 686 CG LYS A 47 -8.214 -3.794 -4.263 1.00 0.00 C ATOM 687 CD LYS A 47 -9.646 -3.745 -4.768 1.00 0.00 C ATOM 688 CE LYS A 47 -9.808 -4.528 -6.062 1.00 0.00 C ATOM 689 NZ LYS A 47 -9.854 -5.996 -5.820 1.00 0.00 N ATOM 0 H LYS A 47 -6.848 -1.296 -1.162 1.00 0.00 H new ATOM 0 HA LYS A 47 -6.608 -4.072 -2.169 1.00 0.00 H new ATOM 0 HB2 LYS A 47 -8.823 -2.724 -2.514 1.00 0.00 H new ATOM 0 HB3 LYS A 47 -7.897 -1.769 -3.654 1.00 0.00 H new ATOM 0 HG2 LYS A 47 -7.528 -3.630 -5.094 1.00 0.00 H new ATOM 0 HG3 LYS A 47 -8.001 -4.786 -3.865 1.00 0.00 H new ATOM 0 HD2 LYS A 47 -10.315 -4.152 -4.009 1.00 0.00 H new ATOM 0 HD3 LYS A 47 -9.941 -2.708 -4.930 1.00 0.00 H new ATOM 0 HE2 LYS A 47 -10.723 -4.214 -6.564 1.00 0.00 H new ATOM 0 HE3 LYS A 47 -8.981 -4.296 -6.733 1.00 0.00 H new ATOM 0 HZ1 LYS A 47 -9.220 -6.478 -6.489 1.00 0.00 H new ATOM 0 HZ2 LYS A 47 -9.548 -6.197 -4.847 1.00 0.00 H new ATOM 0 HZ3 LYS A 47 -10.826 -6.340 -5.955 1.00 0.00 H new ATOM 703 N TYR A 48 -4.703 -3.518 -3.648 1.00 0.00 N ATOM 704 CA TYR A 48 -3.502 -3.220 -4.419 1.00 0.00 C ATOM 705 C TYR A 48 -3.831 -3.064 -5.901 1.00 0.00 C ATOM 706 O TYR A 48 -4.891 -3.488 -6.362 1.00 0.00 O ATOM 707 CB TYR A 48 -2.461 -4.324 -4.229 1.00 0.00 C ATOM 708 CG TYR A 48 -1.946 -4.434 -2.812 1.00 0.00 C ATOM 709 CD1 TYR A 48 -2.763 -4.899 -1.789 1.00 0.00 C ATOM 710 CD2 TYR A 48 -0.643 -4.071 -2.496 1.00 0.00 C ATOM 711 CE1 TYR A 48 -2.297 -5.000 -0.492 1.00 0.00 C ATOM 712 CE2 TYR A 48 -0.168 -4.170 -1.202 1.00 0.00 C ATOM 713 CZ TYR A 48 -0.999 -4.635 -0.204 1.00 0.00 C ATOM 714 OH TYR A 48 -0.530 -4.733 1.086 1.00 0.00 O ATOM 0 H TYR A 48 -4.889 -4.513 -3.526 1.00 0.00 H new ATOM 0 HA TYR A 48 -3.092 -2.278 -4.055 1.00 0.00 H new ATOM 0 HB2 TYR A 48 -2.898 -5.278 -4.523 1.00 0.00 H new ATOM 0 HB3 TYR A 48 -1.621 -4.139 -4.898 1.00 0.00 H new ATOM 0 HD1 TYR A 48 -3.780 -5.187 -2.011 1.00 0.00 H new ATOM 0 HD2 TYR A 48 0.010 -3.705 -3.275 1.00 0.00 H new ATOM 0 HE1 TYR A 48 -2.946 -5.363 0.292 1.00 0.00 H new ATOM 0 HE2 TYR A 48 0.848 -3.885 -0.973 1.00 0.00 H new ATOM 0 HH TYR A 48 -0.054 -5.582 1.197 1.00 0.00 H new ATOM 724 N LYS A 49 -2.913 -2.454 -6.643 1.00 0.00 N ATOM 725 CA LYS A 49 -3.102 -2.242 -8.073 1.00 0.00 C ATOM 726 C LYS A 49 -3.640 -3.503 -8.743 1.00 0.00 C ATOM 727 O LYS A 49 -4.760 -3.515 -9.254 1.00 0.00 O ATOM 728 CB LYS A 49 -1.781 -1.829 -8.727 1.00 0.00 C ATOM 729 CG LYS A 49 -1.915 -1.479 -10.199 1.00 0.00 C ATOM 730 CD LYS A 49 -0.839 -0.500 -10.639 1.00 0.00 C ATOM 731 CE LYS A 49 -1.208 0.184 -11.946 1.00 0.00 C ATOM 732 NZ LYS A 49 -1.044 -0.726 -13.114 1.00 0.00 N ATOM 0 H LYS A 49 -2.030 -2.098 -6.277 1.00 0.00 H new ATOM 0 HA LYS A 49 -3.831 -1.442 -8.203 1.00 0.00 H new ATOM 0 HB2 LYS A 49 -1.374 -0.970 -8.193 1.00 0.00 H new ATOM 0 HB3 LYS A 49 -1.062 -2.641 -8.619 1.00 0.00 H new ATOM 0 HG2 LYS A 49 -1.849 -2.388 -10.798 1.00 0.00 H new ATOM 0 HG3 LYS A 49 -2.899 -1.047 -10.383 1.00 0.00 H new ATOM 0 HD2 LYS A 49 -0.690 0.251 -9.863 1.00 0.00 H new ATOM 0 HD3 LYS A 49 0.108 -1.027 -10.758 1.00 0.00 H new ATOM 0 HE2 LYS A 49 -2.241 0.529 -11.896 1.00 0.00 H new ATOM 0 HE3 LYS A 49 -0.583 1.067 -12.083 1.00 0.00 H new ATOM 0 HZ1 LYS A 49 -1.305 -0.223 -13.986 1.00 0.00 H new ATOM 0 HZ2 LYS A 49 -0.053 -1.035 -13.177 1.00 0.00 H new ATOM 0 HZ3 LYS A 49 -1.659 -1.556 -12.996 1.00 0.00 H new ATOM 746 N ASP A 50 -2.837 -4.561 -8.735 1.00 0.00 N ATOM 747 CA ASP A 50 -3.234 -5.827 -9.339 1.00 0.00 C ATOM 748 C ASP A 50 -4.698 -6.136 -9.041 1.00 0.00 C ATOM 749 O ASP A 50 -5.412 -6.680 -9.882 1.00 0.00 O ATOM 750 CB ASP A 50 -2.346 -6.962 -8.827 1.00 0.00 C ATOM 751 CG ASP A 50 -2.249 -8.111 -9.812 1.00 0.00 C ATOM 752 OD1 ASP A 50 -2.475 -7.879 -11.018 1.00 0.00 O ATOM 753 OD2 ASP A 50 -1.948 -9.241 -9.376 1.00 0.00 O ATOM 0 H ASP A 50 -1.907 -4.567 -8.317 1.00 0.00 H new ATOM 0 HA ASP A 50 -3.112 -5.740 -10.419 1.00 0.00 H new ATOM 0 HB2 ASP A 50 -1.347 -6.575 -8.625 1.00 0.00 H new ATOM 0 HB3 ASP A 50 -2.742 -7.331 -7.881 1.00 0.00 H new ATOM 758 N GLY A 51 -5.138 -5.786 -7.836 1.00 0.00 N ATOM 759 CA GLY A 51 -6.514 -6.035 -7.447 1.00 0.00 C ATOM 760 C GLY A 51 -6.624 -7.032 -6.310 1.00 0.00 C ATOM 761 O GLY A 51 -7.537 -7.858 -6.283 1.00 0.00 O ATOM 0 H GLY A 51 -4.566 -5.334 -7.122 1.00 0.00 H new ATOM 0 HA2 GLY A 51 -6.980 -5.096 -7.149 1.00 0.00 H new ATOM 0 HA3 GLY A 51 -7.070 -6.407 -8.308 1.00 0.00 H new ATOM 765 N THR A 52 -5.689 -6.957 -5.367 1.00 0.00 N ATOM 766 CA THR A 52 -5.683 -7.860 -4.224 1.00 0.00 C ATOM 767 C THR A 52 -6.108 -7.138 -2.950 1.00 0.00 C ATOM 768 O THR A 52 -5.703 -6.002 -2.706 1.00 0.00 O ATOM 769 CB THR A 52 -4.291 -8.483 -4.007 1.00 0.00 C ATOM 770 OG1 THR A 52 -3.863 -9.151 -5.199 1.00 0.00 O ATOM 771 CG2 THR A 52 -4.313 -9.468 -2.848 1.00 0.00 C ATOM 0 H THR A 52 -4.926 -6.280 -5.373 1.00 0.00 H new ATOM 0 HA THR A 52 -6.398 -8.653 -4.445 1.00 0.00 H new ATOM 0 HB THR A 52 -3.592 -7.682 -3.768 1.00 0.00 H new ATOM 0 HG1 THR A 52 -2.977 -9.543 -5.054 1.00 0.00 H new ATOM 0 HG21 THR A 52 -3.319 -9.895 -2.714 1.00 0.00 H new ATOM 0 HG22 THR A 52 -4.611 -8.950 -1.936 1.00 0.00 H new ATOM 0 HG23 THR A 52 -5.024 -10.266 -3.062 1.00 0.00 H new ATOM 779 N GLU A 53 -6.926 -7.805 -2.141 1.00 0.00 N ATOM 780 CA GLU A 53 -7.405 -7.225 -0.892 1.00 0.00 C ATOM 781 C GLU A 53 -6.766 -7.917 0.309 1.00 0.00 C ATOM 782 O GLU A 53 -6.731 -9.146 0.385 1.00 0.00 O ATOM 783 CB GLU A 53 -8.928 -7.332 -0.806 1.00 0.00 C ATOM 784 CG GLU A 53 -9.653 -6.635 -1.945 1.00 0.00 C ATOM 785 CD GLU A 53 -11.131 -6.971 -1.989 1.00 0.00 C ATOM 786 OE1 GLU A 53 -11.772 -6.971 -0.918 1.00 0.00 O ATOM 787 OE2 GLU A 53 -11.646 -7.234 -3.096 1.00 0.00 O ATOM 0 H GLU A 53 -7.270 -8.747 -2.328 1.00 0.00 H new ATOM 0 HA GLU A 53 -7.121 -6.173 -0.877 1.00 0.00 H new ATOM 0 HB2 GLU A 53 -9.210 -8.385 -0.798 1.00 0.00 H new ATOM 0 HB3 GLU A 53 -9.261 -6.905 0.140 1.00 0.00 H new ATOM 0 HG2 GLU A 53 -9.532 -5.557 -1.841 1.00 0.00 H new ATOM 0 HG3 GLU A 53 -9.192 -6.918 -2.891 1.00 0.00 H new ATOM 794 N LEU A 54 -6.263 -7.120 1.245 1.00 0.00 N ATOM 795 CA LEU A 54 -5.625 -7.654 2.443 1.00 0.00 C ATOM 796 C LEU A 54 -6.035 -6.860 3.679 1.00 0.00 C ATOM 797 O LEU A 54 -6.619 -5.782 3.569 1.00 0.00 O ATOM 798 CB LEU A 54 -4.103 -7.630 2.288 1.00 0.00 C ATOM 799 CG LEU A 54 -3.551 -8.213 0.988 1.00 0.00 C ATOM 800 CD1 LEU A 54 -2.082 -7.856 0.823 1.00 0.00 C ATOM 801 CD2 LEU A 54 -3.741 -9.723 0.957 1.00 0.00 C ATOM 0 H LEU A 54 -6.285 -6.101 1.197 1.00 0.00 H new ATOM 0 HA LEU A 54 -5.955 -8.685 2.571 1.00 0.00 H new ATOM 0 HB2 LEU A 54 -3.766 -6.597 2.371 1.00 0.00 H new ATOM 0 HB3 LEU A 54 -3.664 -8.177 3.123 1.00 0.00 H new ATOM 0 HG LEU A 54 -4.105 -7.780 0.155 1.00 0.00 H new ATOM 0 HD11 LEU A 54 -1.707 -8.280 -0.108 1.00 0.00 H new ATOM 0 HD12 LEU A 54 -1.972 -6.772 0.799 1.00 0.00 H new ATOM 0 HD13 LEU A 54 -1.513 -8.260 1.660 1.00 0.00 H new ATOM 0 HD21 LEU A 54 -3.342 -10.121 0.024 1.00 0.00 H new ATOM 0 HD22 LEU A 54 -3.214 -10.173 1.798 1.00 0.00 H new ATOM 0 HD23 LEU A 54 -4.803 -9.958 1.027 1.00 0.00 H new ATOM 813 N GLU A 55 -5.723 -7.399 4.853 1.00 0.00 N ATOM 814 CA GLU A 55 -6.058 -6.739 6.109 1.00 0.00 C ATOM 815 C GLU A 55 -4.810 -6.162 6.771 1.00 0.00 C ATOM 816 O GLU A 55 -3.903 -6.899 7.160 1.00 0.00 O ATOM 817 CB GLU A 55 -6.745 -7.721 7.060 1.00 0.00 C ATOM 818 CG GLU A 55 -8.258 -7.750 6.917 1.00 0.00 C ATOM 819 CD GLU A 55 -8.896 -8.884 7.696 1.00 0.00 C ATOM 820 OE1 GLU A 55 -8.419 -10.031 7.573 1.00 0.00 O ATOM 821 OE2 GLU A 55 -9.872 -8.623 8.429 1.00 0.00 O ATOM 0 H GLU A 55 -5.239 -8.290 4.961 1.00 0.00 H new ATOM 0 HA GLU A 55 -6.742 -5.920 5.887 1.00 0.00 H new ATOM 0 HB2 GLU A 55 -6.352 -8.722 6.881 1.00 0.00 H new ATOM 0 HB3 GLU A 55 -6.491 -7.458 8.087 1.00 0.00 H new ATOM 0 HG2 GLU A 55 -8.670 -6.801 7.261 1.00 0.00 H new ATOM 0 HG3 GLU A 55 -8.518 -7.847 5.863 1.00 0.00 H new ATOM 828 N LEU A 56 -4.771 -4.840 6.895 1.00 0.00 N ATOM 829 CA LEU A 56 -3.634 -4.162 7.509 1.00 0.00 C ATOM 830 C LEU A 56 -4.092 -3.247 8.640 1.00 0.00 C ATOM 831 O LEU A 56 -4.936 -2.372 8.442 1.00 0.00 O ATOM 832 CB LEU A 56 -2.870 -3.353 6.459 1.00 0.00 C ATOM 833 CG LEU A 56 -2.515 -4.092 5.169 1.00 0.00 C ATOM 834 CD1 LEU A 56 -1.759 -3.176 4.219 1.00 0.00 C ATOM 835 CD2 LEU A 56 -1.697 -5.338 5.476 1.00 0.00 C ATOM 0 H LEU A 56 -5.513 -4.216 6.579 1.00 0.00 H new ATOM 0 HA LEU A 56 -2.972 -4.920 7.926 1.00 0.00 H new ATOM 0 HB2 LEU A 56 -3.466 -2.477 6.200 1.00 0.00 H new ATOM 0 HB3 LEU A 56 -1.947 -2.989 6.911 1.00 0.00 H new ATOM 0 HG LEU A 56 -3.441 -4.400 4.683 1.00 0.00 H new ATOM 0 HD11 LEU A 56 -1.515 -3.720 3.306 1.00 0.00 H new ATOM 0 HD12 LEU A 56 -2.380 -2.315 3.973 1.00 0.00 H new ATOM 0 HD13 LEU A 56 -0.840 -2.836 4.696 1.00 0.00 H new ATOM 0 HD21 LEU A 56 -1.453 -5.852 4.546 1.00 0.00 H new ATOM 0 HD22 LEU A 56 -0.776 -5.053 5.985 1.00 0.00 H new ATOM 0 HD23 LEU A 56 -2.275 -6.004 6.117 1.00 0.00 H new ATOM 847 N LYS A 57 -3.528 -3.452 9.825 1.00 0.00 N ATOM 848 CA LYS A 57 -3.875 -2.644 10.988 1.00 0.00 C ATOM 849 C LYS A 57 -3.682 -1.160 10.696 1.00 0.00 C ATOM 850 O LYS A 57 -2.945 -0.788 9.783 1.00 0.00 O ATOM 851 CB LYS A 57 -3.022 -3.053 12.191 1.00 0.00 C ATOM 852 CG LYS A 57 -3.609 -4.203 12.991 1.00 0.00 C ATOM 853 CD LYS A 57 -2.637 -4.704 14.045 1.00 0.00 C ATOM 854 CE LYS A 57 -2.964 -6.125 14.475 1.00 0.00 C ATOM 855 NZ LYS A 57 -1.891 -6.707 15.329 1.00 0.00 N ATOM 0 H LYS A 57 -2.828 -4.171 10.006 1.00 0.00 H new ATOM 0 HA LYS A 57 -4.926 -2.817 11.220 1.00 0.00 H new ATOM 0 HB2 LYS A 57 -2.028 -3.334 11.842 1.00 0.00 H new ATOM 0 HB3 LYS A 57 -2.898 -2.191 12.847 1.00 0.00 H new ATOM 0 HG2 LYS A 57 -4.532 -3.879 13.471 1.00 0.00 H new ATOM 0 HG3 LYS A 57 -3.870 -5.020 12.318 1.00 0.00 H new ATOM 0 HD2 LYS A 57 -1.621 -4.667 13.652 1.00 0.00 H new ATOM 0 HD3 LYS A 57 -2.667 -4.044 14.912 1.00 0.00 H new ATOM 0 HE2 LYS A 57 -3.907 -6.131 15.022 1.00 0.00 H new ATOM 0 HE3 LYS A 57 -3.104 -6.749 13.592 1.00 0.00 H new ATOM 0 HZ1 LYS A 57 -2.151 -7.676 15.601 1.00 0.00 H new ATOM 0 HZ2 LYS A 57 -0.997 -6.725 14.799 1.00 0.00 H new ATOM 0 HZ3 LYS A 57 -1.775 -6.127 16.184 1.00 0.00 H new ATOM 869 N GLU A 58 -4.348 -0.316 11.478 1.00 0.00 N ATOM 870 CA GLU A 58 -4.248 1.128 11.302 1.00 0.00 C ATOM 871 C GLU A 58 -2.789 1.576 11.295 1.00 0.00 C ATOM 872 O GLU A 58 -2.423 2.523 10.600 1.00 0.00 O ATOM 873 CB GLU A 58 -5.010 1.854 12.413 1.00 0.00 C ATOM 874 CG GLU A 58 -5.305 3.311 12.098 1.00 0.00 C ATOM 875 CD GLU A 58 -5.895 4.055 13.280 1.00 0.00 C ATOM 876 OE1 GLU A 58 -6.516 3.400 14.143 1.00 0.00 O ATOM 877 OE2 GLU A 58 -5.735 5.292 13.342 1.00 0.00 O ATOM 0 H GLU A 58 -4.962 -0.607 12.239 1.00 0.00 H new ATOM 0 HA GLU A 58 -4.693 1.382 10.340 1.00 0.00 H new ATOM 0 HB2 GLU A 58 -5.950 1.334 12.597 1.00 0.00 H new ATOM 0 HB3 GLU A 58 -4.430 1.801 13.334 1.00 0.00 H new ATOM 0 HG2 GLU A 58 -4.385 3.805 11.785 1.00 0.00 H new ATOM 0 HG3 GLU A 58 -5.997 3.364 11.258 1.00 0.00 H new ATOM 884 N ASN A 59 -1.962 0.888 12.074 1.00 0.00 N ATOM 885 CA ASN A 59 -0.543 1.215 12.159 1.00 0.00 C ATOM 886 C ASN A 59 0.203 0.725 10.922 1.00 0.00 C ATOM 887 O ASN A 59 1.084 1.411 10.403 1.00 0.00 O ATOM 888 CB ASN A 59 0.070 0.595 13.416 1.00 0.00 C ATOM 889 CG ASN A 59 1.579 0.743 13.457 1.00 0.00 C ATOM 890 OD1 ASN A 59 2.107 1.665 14.078 1.00 0.00 O ATOM 891 ND2 ASN A 59 2.280 -0.169 12.793 1.00 0.00 N ATOM 0 H ASN A 59 -2.249 0.101 12.655 1.00 0.00 H new ATOM 0 HA ASN A 59 -0.448 2.300 12.213 1.00 0.00 H new ATOM 0 HB2 ASN A 59 -0.363 1.067 14.298 1.00 0.00 H new ATOM 0 HB3 ASN A 59 -0.190 -0.463 13.460 1.00 0.00 H new ATOM 0 HD21 ASN A 59 3.299 -0.122 12.784 1.00 0.00 H new ATOM 0 HD22 ASN A 59 1.799 -0.916 12.292 1.00 0.00 H new ATOM 898 N ASP A 60 -0.156 -0.466 10.454 1.00 0.00 N ATOM 899 CA ASP A 60 0.478 -1.048 9.277 1.00 0.00 C ATOM 900 C ASP A 60 0.427 -0.081 8.098 1.00 0.00 C ATOM 901 O ASP A 60 1.340 -0.045 7.272 1.00 0.00 O ATOM 902 CB ASP A 60 -0.204 -2.365 8.902 1.00 0.00 C ATOM 903 CG ASP A 60 -0.202 -3.363 10.043 1.00 0.00 C ATOM 904 OD1 ASP A 60 0.660 -3.239 10.938 1.00 0.00 O ATOM 905 OD2 ASP A 60 -1.061 -4.270 10.041 1.00 0.00 O ATOM 0 H ASP A 60 -0.883 -1.047 10.872 1.00 0.00 H new ATOM 0 HA ASP A 60 1.523 -1.245 9.518 1.00 0.00 H new ATOM 0 HB2 ASP A 60 -1.232 -2.165 8.600 1.00 0.00 H new ATOM 0 HB3 ASP A 60 0.303 -2.801 8.041 1.00 0.00 H new ATOM 910 N ILE A 61 -0.646 0.700 8.026 1.00 0.00 N ATOM 911 CA ILE A 61 -0.815 1.667 6.949 1.00 0.00 C ATOM 912 C ILE A 61 -0.196 3.011 7.314 1.00 0.00 C ATOM 913 O ILE A 61 -0.184 3.406 8.480 1.00 0.00 O ATOM 914 CB ILE A 61 -2.303 1.875 6.608 1.00 0.00 C ATOM 915 CG1 ILE A 61 -2.967 0.536 6.282 1.00 0.00 C ATOM 916 CG2 ILE A 61 -2.449 2.843 5.443 1.00 0.00 C ATOM 917 CD1 ILE A 61 -4.475 0.612 6.204 1.00 0.00 C ATOM 0 H ILE A 61 -1.411 0.682 8.701 1.00 0.00 H new ATOM 0 HA ILE A 61 -0.304 1.260 6.077 1.00 0.00 H new ATOM 0 HB ILE A 61 -2.803 2.304 7.476 1.00 0.00 H new ATOM 0 HG12 ILE A 61 -2.580 0.170 5.331 1.00 0.00 H new ATOM 0 HG13 ILE A 61 -2.687 -0.194 7.042 1.00 0.00 H new ATOM 0 HG21 ILE A 61 -3.506 2.980 5.214 1.00 0.00 H new ATOM 0 HG22 ILE A 61 -2.008 3.803 5.711 1.00 0.00 H new ATOM 0 HG23 ILE A 61 -1.937 2.440 4.569 1.00 0.00 H new ATOM 0 HD11 ILE A 61 -4.877 -0.374 5.969 1.00 0.00 H new ATOM 0 HD12 ILE A 61 -4.872 0.948 7.162 1.00 0.00 H new ATOM 0 HD13 ILE A 61 -4.764 1.317 5.424 1.00 0.00 H new ATOM 929 N LYS A 62 0.318 3.712 6.309 1.00 0.00 N ATOM 930 CA LYS A 62 0.938 5.015 6.522 1.00 0.00 C ATOM 931 C LYS A 62 1.027 5.795 5.215 1.00 0.00 C ATOM 932 O LYS A 62 1.304 5.226 4.159 1.00 0.00 O ATOM 933 CB LYS A 62 2.334 4.846 7.124 1.00 0.00 C ATOM 934 CG LYS A 62 3.297 4.091 6.224 1.00 0.00 C ATOM 935 CD LYS A 62 4.732 4.545 6.437 1.00 0.00 C ATOM 936 CE LYS A 62 5.236 4.170 7.822 1.00 0.00 C ATOM 937 NZ LYS A 62 5.878 2.827 7.833 1.00 0.00 N ATOM 0 H LYS A 62 0.318 3.399 5.338 1.00 0.00 H new ATOM 0 HA LYS A 62 0.315 5.577 7.218 1.00 0.00 H new ATOM 0 HB2 LYS A 62 2.749 5.830 7.341 1.00 0.00 H new ATOM 0 HB3 LYS A 62 2.249 4.319 8.075 1.00 0.00 H new ATOM 0 HG2 LYS A 62 3.219 3.022 6.422 1.00 0.00 H new ATOM 0 HG3 LYS A 62 3.017 4.243 5.182 1.00 0.00 H new ATOM 0 HD2 LYS A 62 5.374 4.093 5.681 1.00 0.00 H new ATOM 0 HD3 LYS A 62 4.796 5.625 6.306 1.00 0.00 H new ATOM 0 HE2 LYS A 62 5.952 4.918 8.163 1.00 0.00 H new ATOM 0 HE3 LYS A 62 4.404 4.181 8.526 1.00 0.00 H new ATOM 0 HZ1 LYS A 62 6.009 2.513 8.816 1.00 0.00 H new ATOM 0 HZ2 LYS A 62 5.271 2.148 7.330 1.00 0.00 H new ATOM 0 HZ3 LYS A 62 6.803 2.881 7.361 1.00 0.00 H new ATOM 951 N SER A 63 0.791 7.101 5.293 1.00 0.00 N ATOM 952 CA SER A 63 0.843 7.959 4.115 1.00 0.00 C ATOM 953 C SER A 63 2.063 8.874 4.162 1.00 0.00 C ATOM 954 O SER A 63 2.406 9.417 5.211 1.00 0.00 O ATOM 955 CB SER A 63 -0.433 8.797 4.012 1.00 0.00 C ATOM 956 OG SER A 63 -0.541 9.407 2.737 1.00 0.00 O ATOM 0 H SER A 63 0.562 7.588 6.160 1.00 0.00 H new ATOM 0 HA SER A 63 0.923 7.321 3.235 1.00 0.00 H new ATOM 0 HB2 SER A 63 -1.303 8.165 4.191 1.00 0.00 H new ATOM 0 HB3 SER A 63 -0.432 9.564 4.787 1.00 0.00 H new ATOM 0 HG SER A 63 -1.365 9.935 2.696 1.00 0.00 H new ATOM 962 N GLY A 64 2.716 9.039 3.016 1.00 0.00 N ATOM 963 CA GLY A 64 3.891 9.888 2.947 1.00 0.00 C ATOM 964 C GLY A 64 3.743 11.001 1.929 1.00 0.00 C ATOM 965 O GLY A 64 3.235 12.082 2.229 1.00 0.00 O ATOM 0 H GLY A 64 2.452 8.600 2.134 1.00 0.00 H new ATOM 0 HA2 GLY A 64 4.081 10.321 3.929 1.00 0.00 H new ATOM 0 HA3 GLY A 64 4.760 9.281 2.693 1.00 0.00 H new ATOM 969 N PRO A 65 4.196 10.743 0.693 1.00 0.00 N ATOM 970 CA PRO A 65 4.123 11.720 -0.397 1.00 0.00 C ATOM 971 C PRO A 65 2.692 11.961 -0.866 1.00 0.00 C ATOM 972 O PRO A 65 2.451 12.761 -1.769 1.00 0.00 O ATOM 973 CB PRO A 65 4.948 11.071 -1.511 1.00 0.00 C ATOM 974 CG PRO A 65 4.878 9.610 -1.232 1.00 0.00 C ATOM 975 CD PRO A 65 4.813 9.476 0.265 1.00 0.00 C ATOM 0 HA PRO A 65 4.490 12.700 -0.091 1.00 0.00 H new ATOM 0 HB2 PRO A 65 4.540 11.306 -2.494 1.00 0.00 H new ATOM 0 HB3 PRO A 65 5.978 11.427 -1.500 1.00 0.00 H new ATOM 0 HG2 PRO A 65 4.001 9.165 -1.702 1.00 0.00 H new ATOM 0 HG3 PRO A 65 5.751 9.094 -1.632 1.00 0.00 H new ATOM 0 HD2 PRO A 65 4.215 8.616 0.566 1.00 0.00 H new ATOM 0 HD3 PRO A 65 5.804 9.344 0.700 1.00 0.00 H new ATOM 983 N SER A 66 1.746 11.263 -0.245 1.00 0.00 N ATOM 984 CA SER A 66 0.338 11.399 -0.601 1.00 0.00 C ATOM 985 C SER A 66 0.154 11.356 -2.115 1.00 0.00 C ATOM 986 O SER A 66 -0.655 12.096 -2.674 1.00 0.00 O ATOM 987 CB SER A 66 -0.227 12.707 -0.044 1.00 0.00 C ATOM 988 OG SER A 66 0.574 13.812 -0.425 1.00 0.00 O ATOM 0 H SER A 66 1.929 10.598 0.507 1.00 0.00 H new ATOM 0 HA SER A 66 -0.205 10.562 -0.162 1.00 0.00 H new ATOM 0 HB2 SER A 66 -1.245 12.850 -0.406 1.00 0.00 H new ATOM 0 HB3 SER A 66 -0.280 12.650 1.043 1.00 0.00 H new ATOM 0 HG SER A 66 1.083 13.585 -1.231 1.00 0.00 H new ATOM 994 N SER A 67 0.912 10.485 -2.772 1.00 0.00 N ATOM 995 CA SER A 67 0.837 10.347 -4.222 1.00 0.00 C ATOM 996 C SER A 67 -0.263 9.366 -4.618 1.00 0.00 C ATOM 997 O SER A 67 -0.044 8.156 -4.664 1.00 0.00 O ATOM 998 CB SER A 67 2.181 9.877 -4.781 1.00 0.00 C ATOM 999 OG SER A 67 3.199 10.829 -4.528 1.00 0.00 O ATOM 0 H SER A 67 1.585 9.864 -2.324 1.00 0.00 H new ATOM 0 HA SER A 67 0.598 11.323 -4.643 1.00 0.00 H new ATOM 0 HB2 SER A 67 2.452 8.922 -4.331 1.00 0.00 H new ATOM 0 HB3 SER A 67 2.094 9.710 -5.855 1.00 0.00 H new ATOM 0 HG SER A 67 4.048 10.505 -4.893 1.00 0.00 H new ATOM 1005 N GLY A 68 -1.447 9.898 -4.904 1.00 0.00 N ATOM 1006 CA GLY A 68 -2.564 9.056 -5.292 1.00 0.00 C ATOM 1007 C GLY A 68 -3.216 9.516 -6.581 1.00 0.00 C ATOM 1008 O GLY A 68 -4.434 9.680 -6.644 1.00 0.00 O ATOM 0 H GLY A 68 -1.653 10.897 -4.874 1.00 0.00 H new ATOM 0 HA2 GLY A 68 -2.217 8.029 -5.410 1.00 0.00 H new ATOM 0 HA3 GLY A 68 -3.307 9.052 -4.494 1.00 0.00 H new TER 1012 GLY A 68