USER MOD reduce.3.24.130724 H: found=0, std=0, add=501, rem=0, adj=21 USER MOD reduce.3.24.130724 removed 497 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 50 THR OG1 : rot -97:sc= 1.71 USER MOD Set 1.2: A 55 THR OG1 : rot -88:sc= 1.62 USER MOD Set 2.1: A 30 THR OG1 : rot 180:sc= 0 USER MOD Set 2.2: A 33 THR OG1 : rot 114:sc= 1.14 USER MOD Single : A 1 GLY N :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 2 SER OG : rot 180:sc= 0 USER MOD Single : A 3 SER OG : rot 180:sc= 0 USER MOD Single : A 5 SER OG : rot 180:sc= 0 USER MOD Single : A 6 SER OG : rot 180:sc= 0 USER MOD Single : A 8 THR OG1 : rot 180:sc= 0 USER MOD Single : A 12 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 14 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 17 TYR OH : rot 180:sc= 0 USER MOD Single : A 19 CYS SG : rot 81:sc= 0.122 USER MOD Single : A 20 LYS NZ :NH3+ 179:sc= 0 (180deg=-0.00964) USER MOD Single : A 23 HIS : no HE2:sc= -2.38 K(o=-2.4,f=-4.3!) USER MOD Single : A 25 SER OG : rot 180:sc= 0 USER MOD Single : A 28 SER OG : rot 32:sc= 0.0728 USER MOD Single : A 37 ASN : amide:sc= -5.05! X(o=-5!,f=-5.5) USER MOD Single : A 39 HIS : no HE2:sc= -1.66 K(o=-1.7,f=-4.6!) USER MOD Single : A 41 SER OG : rot -80:sc= 1.04 USER MOD Single : A 42 GLN : amide:sc= -1.64 K(o=-1.6,f=-0.66) USER MOD Single : A 52 ASN : amide:sc=-0.00204 K(o=-0.002,f=-1.2!) USER MOD Single : A 54 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 61 ASN : amide:sc= 0.225 K(o=0.23,f=-1.8!) USER MOD Single : A 62 TYR OH : rot 180:sc= 0 USER MOD Single : A 67 SER OG : rot 180:sc= 0 USER MOD Single : A 70 SER OG : rot 180:sc= 0 USER MOD Single : A 71 SER OG : rot 180:sc= 0 USER MOD ----------------------------------------------------------------- ATOM 1 N GLY A 1 22.115 -7.024 15.242 1.00 0.00 N ATOM 2 CA GLY A 1 21.738 -7.505 16.560 1.00 0.00 C ATOM 3 C GLY A 1 21.599 -9.029 16.568 1.00 0.00 C ATOM 4 O GLY A 1 22.337 -9.720 17.269 1.00 0.00 O ATOM 0 H1 GLY A 1 22.203 -5.988 15.263 1.00 0.00 H new ATOM 0 H2 GLY A 1 23.026 -7.443 14.967 1.00 0.00 H new ATOM 0 H3 GLY A 1 21.386 -7.296 14.552 1.00 0.00 H new ATOM 0 HA2 GLY A 1 22.488 -7.201 17.290 1.00 0.00 H new ATOM 0 HA3 GLY A 1 20.795 -7.049 16.862 1.00 0.00 H new ATOM 8 N SER A 2 20.646 -9.508 15.782 1.00 0.00 N ATOM 9 CA SER A 2 20.401 -10.938 15.690 1.00 0.00 C ATOM 10 C SER A 2 19.852 -11.286 14.305 1.00 0.00 C ATOM 11 O SER A 2 18.898 -10.666 13.837 1.00 0.00 O ATOM 12 CB SER A 2 19.429 -11.401 16.777 1.00 0.00 C ATOM 13 OG SER A 2 19.329 -12.821 16.834 1.00 0.00 O ATOM 0 H SER A 2 20.035 -8.932 15.203 1.00 0.00 H new ATOM 0 HA SER A 2 21.347 -11.458 15.841 1.00 0.00 H new ATOM 0 HB2 SER A 2 19.759 -11.022 17.744 1.00 0.00 H new ATOM 0 HB3 SER A 2 18.444 -10.975 16.587 1.00 0.00 H new ATOM 0 HG SER A 2 18.701 -13.077 17.541 1.00 0.00 H new ATOM 19 N SER A 3 20.478 -12.277 13.687 1.00 0.00 N ATOM 20 CA SER A 3 20.065 -12.715 12.365 1.00 0.00 C ATOM 21 C SER A 3 19.033 -13.839 12.485 1.00 0.00 C ATOM 22 O SER A 3 19.024 -14.575 13.470 1.00 0.00 O ATOM 23 CB SER A 3 21.265 -13.182 11.539 1.00 0.00 C ATOM 24 OG SER A 3 21.830 -12.123 10.771 1.00 0.00 O ATOM 0 H SER A 3 21.269 -12.789 14.078 1.00 0.00 H new ATOM 0 HA SER A 3 19.612 -11.868 11.850 1.00 0.00 H new ATOM 0 HB2 SER A 3 22.025 -13.593 12.204 1.00 0.00 H new ATOM 0 HB3 SER A 3 20.955 -13.987 10.873 1.00 0.00 H new ATOM 0 HG SER A 3 22.594 -12.462 10.259 1.00 0.00 H new ATOM 30 N GLY A 4 18.189 -13.935 11.468 1.00 0.00 N ATOM 31 CA GLY A 4 17.156 -14.956 11.447 1.00 0.00 C ATOM 32 C GLY A 4 15.767 -14.329 11.307 1.00 0.00 C ATOM 33 O GLY A 4 15.530 -13.223 11.790 1.00 0.00 O ATOM 0 H GLY A 4 18.200 -13.322 10.653 1.00 0.00 H new ATOM 0 HA2 GLY A 4 17.334 -15.642 10.619 1.00 0.00 H new ATOM 0 HA3 GLY A 4 17.203 -15.544 12.363 1.00 0.00 H new ATOM 37 N SER A 5 14.886 -15.062 10.643 1.00 0.00 N ATOM 38 CA SER A 5 13.528 -14.592 10.433 1.00 0.00 C ATOM 39 C SER A 5 12.534 -15.725 10.697 1.00 0.00 C ATOM 40 O SER A 5 12.927 -16.885 10.814 1.00 0.00 O ATOM 41 CB SER A 5 13.347 -14.047 9.015 1.00 0.00 C ATOM 42 OG SER A 5 14.303 -13.037 8.705 1.00 0.00 O ATOM 0 H SER A 5 15.087 -15.979 10.243 1.00 0.00 H new ATOM 0 HA SER A 5 13.336 -13.779 11.133 1.00 0.00 H new ATOM 0 HB2 SER A 5 13.437 -14.864 8.299 1.00 0.00 H new ATOM 0 HB3 SER A 5 12.342 -13.639 8.909 1.00 0.00 H new ATOM 0 HG SER A 5 14.155 -12.716 7.791 1.00 0.00 H new ATOM 48 N SER A 6 11.267 -15.350 10.783 1.00 0.00 N ATOM 49 CA SER A 6 10.214 -16.321 11.031 1.00 0.00 C ATOM 50 C SER A 6 8.907 -15.851 10.389 1.00 0.00 C ATOM 51 O SER A 6 8.792 -14.697 9.981 1.00 0.00 O ATOM 52 CB SER A 6 10.017 -16.549 12.531 1.00 0.00 C ATOM 53 OG SER A 6 10.423 -17.855 12.931 1.00 0.00 O ATOM 0 H SER A 6 10.945 -14.387 10.685 1.00 0.00 H new ATOM 0 HA SER A 6 10.511 -17.269 10.583 1.00 0.00 H new ATOM 0 HB2 SER A 6 10.587 -15.806 13.088 1.00 0.00 H new ATOM 0 HB3 SER A 6 8.967 -16.402 12.785 1.00 0.00 H new ATOM 0 HG SER A 6 10.283 -17.960 13.895 1.00 0.00 H new ATOM 59 N GLY A 7 7.955 -16.770 10.321 1.00 0.00 N ATOM 60 CA GLY A 7 6.661 -16.464 9.736 1.00 0.00 C ATOM 61 C GLY A 7 5.687 -15.948 10.797 1.00 0.00 C ATOM 62 O GLY A 7 5.917 -16.123 11.993 1.00 0.00 O ATOM 0 H GLY A 7 8.054 -17.726 10.661 1.00 0.00 H new ATOM 0 HA2 GLY A 7 6.780 -15.716 8.952 1.00 0.00 H new ATOM 0 HA3 GLY A 7 6.251 -17.357 9.265 1.00 0.00 H new ATOM 66 N THR A 8 4.621 -15.322 10.322 1.00 0.00 N ATOM 67 CA THR A 8 3.612 -14.779 11.215 1.00 0.00 C ATOM 68 C THR A 8 2.210 -15.139 10.719 1.00 0.00 C ATOM 69 O THR A 8 2.010 -15.369 9.527 1.00 0.00 O ATOM 70 CB THR A 8 3.846 -13.271 11.333 1.00 0.00 C ATOM 71 OG1 THR A 8 3.868 -12.817 9.982 1.00 0.00 O ATOM 72 CG2 THR A 8 5.241 -12.935 11.862 1.00 0.00 C ATOM 0 H THR A 8 4.434 -15.179 9.330 1.00 0.00 H new ATOM 0 HA THR A 8 3.692 -15.214 12.211 1.00 0.00 H new ATOM 0 HB THR A 8 3.094 -12.837 11.992 1.00 0.00 H new ATOM 0 HG1 THR A 8 4.013 -11.848 9.965 1.00 0.00 H new ATOM 0 HG21 THR A 8 5.355 -11.853 11.926 1.00 0.00 H new ATOM 0 HG22 THR A 8 5.370 -13.373 12.852 1.00 0.00 H new ATOM 0 HG23 THR A 8 5.994 -13.339 11.185 1.00 0.00 H new ATOM 80 N PRO A 9 1.251 -15.179 11.682 1.00 0.00 N ATOM 81 CA PRO A 9 -0.126 -15.507 11.355 1.00 0.00 C ATOM 82 C PRO A 9 -0.820 -14.333 10.664 1.00 0.00 C ATOM 83 O PRO A 9 -1.862 -13.866 11.122 1.00 0.00 O ATOM 84 CB PRO A 9 -0.767 -15.880 12.682 1.00 0.00 C ATOM 85 CG PRO A 9 0.137 -15.301 13.759 1.00 0.00 C ATOM 86 CD PRO A 9 1.452 -14.913 13.104 1.00 0.00 C ATOM 0 HA PRO A 9 -0.205 -16.330 10.645 1.00 0.00 H new ATOM 0 HB2 PRO A 9 -1.775 -15.472 12.757 1.00 0.00 H new ATOM 0 HB3 PRO A 9 -0.853 -16.962 12.784 1.00 0.00 H new ATOM 0 HG2 PRO A 9 -0.330 -14.432 14.223 1.00 0.00 H new ATOM 0 HG3 PRO A 9 0.305 -16.032 14.550 1.00 0.00 H new ATOM 0 HD2 PRO A 9 1.688 -13.864 13.281 1.00 0.00 H new ATOM 0 HD3 PRO A 9 2.281 -15.498 13.503 1.00 0.00 H new ATOM 94 N PHE A 10 -0.215 -13.888 9.572 1.00 0.00 N ATOM 95 CA PHE A 10 -0.762 -12.776 8.814 1.00 0.00 C ATOM 96 C PHE A 10 -0.461 -12.930 7.321 1.00 0.00 C ATOM 97 O PHE A 10 0.121 -13.929 6.902 1.00 0.00 O ATOM 98 CB PHE A 10 -0.085 -11.505 9.330 1.00 0.00 C ATOM 99 CG PHE A 10 -0.392 -11.188 10.795 1.00 0.00 C ATOM 100 CD1 PHE A 10 -1.660 -11.317 11.268 1.00 0.00 C ATOM 101 CD2 PHE A 10 0.604 -10.777 11.625 1.00 0.00 C ATOM 102 CE1 PHE A 10 -1.945 -11.023 12.627 1.00 0.00 C ATOM 103 CE2 PHE A 10 0.320 -10.483 12.984 1.00 0.00 C ATOM 104 CZ PHE A 10 -0.949 -10.612 13.457 1.00 0.00 C ATOM 0 H PHE A 10 0.649 -14.278 9.194 1.00 0.00 H new ATOM 0 HA PHE A 10 -1.844 -12.738 8.938 1.00 0.00 H new ATOM 0 HB2 PHE A 10 0.994 -11.605 9.209 1.00 0.00 H new ATOM 0 HB3 PHE A 10 -0.398 -10.663 8.713 1.00 0.00 H new ATOM 0 HD1 PHE A 10 -2.451 -11.643 10.609 1.00 0.00 H new ATOM 0 HD2 PHE A 10 1.611 -10.674 11.250 1.00 0.00 H new ATOM 0 HE1 PHE A 10 -2.953 -11.126 13.002 1.00 0.00 H new ATOM 0 HE2 PHE A 10 1.111 -10.157 13.643 1.00 0.00 H new ATOM 0 HZ PHE A 10 -1.165 -10.388 14.491 1.00 0.00 H new ATOM 114 N ARG A 11 -0.871 -11.925 6.561 1.00 0.00 N ATOM 115 CA ARG A 11 -0.652 -11.936 5.125 1.00 0.00 C ATOM 116 C ARG A 11 0.245 -10.766 4.715 1.00 0.00 C ATOM 117 O ARG A 11 0.721 -10.017 5.567 1.00 0.00 O ATOM 118 CB ARG A 11 -1.977 -11.845 4.365 1.00 0.00 C ATOM 119 CG ARG A 11 -2.249 -13.129 3.580 1.00 0.00 C ATOM 120 CD ARG A 11 -3.751 -13.343 3.380 1.00 0.00 C ATOM 121 NE ARG A 11 -4.135 -14.697 3.838 1.00 0.00 N ATOM 122 CZ ARG A 11 -5.400 -15.126 3.934 1.00 0.00 C ATOM 123 NH1 ARG A 11 -6.412 -14.311 3.604 1.00 0.00 N ATOM 124 NH2 ARG A 11 -5.655 -16.371 4.359 1.00 0.00 N ATOM 0 H ARG A 11 -1.353 -11.098 6.913 1.00 0.00 H new ATOM 0 HA ARG A 11 -0.165 -12.877 4.871 1.00 0.00 H new ATOM 0 HB2 ARG A 11 -2.791 -11.665 5.067 1.00 0.00 H new ATOM 0 HB3 ARG A 11 -1.951 -10.996 3.682 1.00 0.00 H new ATOM 0 HG2 ARG A 11 -1.753 -13.078 2.611 1.00 0.00 H new ATOM 0 HG3 ARG A 11 -1.824 -13.981 4.111 1.00 0.00 H new ATOM 0 HD2 ARG A 11 -4.311 -12.590 3.935 1.00 0.00 H new ATOM 0 HD3 ARG A 11 -4.007 -13.220 2.328 1.00 0.00 H new ATOM 0 HE ARG A 11 -3.390 -15.344 4.097 1.00 0.00 H new ATOM 0 HH11 ARG A 11 -6.219 -13.363 3.280 1.00 0.00 H new ATOM 0 HH12 ARG A 11 -7.375 -14.638 3.677 1.00 0.00 H new ATOM 0 HH21 ARG A 11 -4.886 -16.992 4.609 1.00 0.00 H new ATOM 0 HH22 ARG A 11 -6.619 -16.698 4.432 1.00 0.00 H new ATOM 138 N LYS A 12 0.447 -10.646 3.411 1.00 0.00 N ATOM 139 CA LYS A 12 1.279 -9.579 2.879 1.00 0.00 C ATOM 140 C LYS A 12 0.722 -9.132 1.526 1.00 0.00 C ATOM 141 O LYS A 12 -0.024 -9.869 0.883 1.00 0.00 O ATOM 142 CB LYS A 12 2.744 -10.017 2.827 1.00 0.00 C ATOM 143 CG LYS A 12 3.247 -10.413 4.216 1.00 0.00 C ATOM 144 CD LYS A 12 4.693 -10.909 4.155 1.00 0.00 C ATOM 145 CE LYS A 12 5.290 -11.037 5.558 1.00 0.00 C ATOM 146 NZ LYS A 12 6.355 -12.064 5.577 1.00 0.00 N ATOM 0 H LYS A 12 0.050 -11.269 2.708 1.00 0.00 H new ATOM 0 HA LYS A 12 1.254 -8.711 3.538 1.00 0.00 H new ATOM 0 HB2 LYS A 12 2.851 -10.859 2.144 1.00 0.00 H new ATOM 0 HB3 LYS A 12 3.356 -9.206 2.432 1.00 0.00 H new ATOM 0 HG2 LYS A 12 3.180 -9.558 4.888 1.00 0.00 H new ATOM 0 HG3 LYS A 12 2.608 -11.194 4.629 1.00 0.00 H new ATOM 0 HD2 LYS A 12 4.729 -11.875 3.652 1.00 0.00 H new ATOM 0 HD3 LYS A 12 5.293 -10.218 3.562 1.00 0.00 H new ATOM 0 HE2 LYS A 12 5.697 -10.077 5.875 1.00 0.00 H new ATOM 0 HE3 LYS A 12 4.508 -11.303 6.269 1.00 0.00 H new ATOM 0 HZ1 LYS A 12 6.749 -12.138 6.537 1.00 0.00 H new ATOM 0 HZ2 LYS A 12 5.957 -12.982 5.295 1.00 0.00 H new ATOM 0 HZ3 LYS A 12 7.109 -11.795 4.913 1.00 0.00 H new ATOM 160 N ALA A 13 1.106 -7.927 1.133 1.00 0.00 N ATOM 161 CA ALA A 13 0.655 -7.373 -0.133 1.00 0.00 C ATOM 162 C ALA A 13 1.774 -6.526 -0.742 1.00 0.00 C ATOM 163 O ALA A 13 2.537 -5.886 -0.019 1.00 0.00 O ATOM 164 CB ALA A 13 -0.628 -6.570 0.090 1.00 0.00 C ATOM 0 H ALA A 13 1.725 -7.318 1.669 1.00 0.00 H new ATOM 0 HA ALA A 13 0.423 -8.170 -0.840 1.00 0.00 H new ATOM 0 HB1 ALA A 13 -0.967 -6.154 -0.859 1.00 0.00 H new ATOM 0 HB2 ALA A 13 -1.400 -7.223 0.496 1.00 0.00 H new ATOM 0 HB3 ALA A 13 -0.433 -5.759 0.792 1.00 0.00 H new ATOM 170 N LYS A 14 1.837 -6.550 -2.065 1.00 0.00 N ATOM 171 CA LYS A 14 2.851 -5.793 -2.780 1.00 0.00 C ATOM 172 C LYS A 14 2.187 -4.625 -3.512 1.00 0.00 C ATOM 173 O LYS A 14 1.170 -4.805 -4.181 1.00 0.00 O ATOM 174 CB LYS A 14 3.660 -6.712 -3.696 1.00 0.00 C ATOM 175 CG LYS A 14 4.504 -5.901 -4.681 1.00 0.00 C ATOM 176 CD LYS A 14 5.079 -6.797 -5.779 1.00 0.00 C ATOM 177 CE LYS A 14 4.045 -7.051 -6.878 1.00 0.00 C ATOM 178 NZ LYS A 14 4.205 -6.072 -7.976 1.00 0.00 N ATOM 0 H LYS A 14 1.202 -7.082 -2.661 1.00 0.00 H new ATOM 0 HA LYS A 14 3.570 -5.365 -2.081 1.00 0.00 H new ATOM 0 HB2 LYS A 14 4.308 -7.350 -3.096 1.00 0.00 H new ATOM 0 HB3 LYS A 14 2.986 -7.369 -4.245 1.00 0.00 H new ATOM 0 HG2 LYS A 14 3.893 -5.117 -5.129 1.00 0.00 H new ATOM 0 HG3 LYS A 14 5.316 -5.407 -4.148 1.00 0.00 H new ATOM 0 HD2 LYS A 14 5.964 -6.328 -6.209 1.00 0.00 H new ATOM 0 HD3 LYS A 14 5.398 -7.746 -5.349 1.00 0.00 H new ATOM 0 HE2 LYS A 14 4.159 -8.063 -7.266 1.00 0.00 H new ATOM 0 HE3 LYS A 14 3.040 -6.980 -6.463 1.00 0.00 H new ATOM 0 HZ1 LYS A 14 3.496 -6.258 -8.713 1.00 0.00 H new ATOM 0 HZ2 LYS A 14 4.074 -5.109 -7.605 1.00 0.00 H new ATOM 0 HZ3 LYS A 14 5.158 -6.159 -8.383 1.00 0.00 H new ATOM 192 N ALA A 15 2.788 -3.454 -3.360 1.00 0.00 N ATOM 193 CA ALA A 15 2.267 -2.257 -3.998 1.00 0.00 C ATOM 194 C ALA A 15 2.508 -2.343 -5.507 1.00 0.00 C ATOM 195 O ALA A 15 3.621 -2.629 -5.946 1.00 0.00 O ATOM 196 CB ALA A 15 2.918 -1.021 -3.373 1.00 0.00 C ATOM 0 H ALA A 15 3.631 -3.309 -2.804 1.00 0.00 H new ATOM 0 HA ALA A 15 1.192 -2.174 -3.840 1.00 0.00 H new ATOM 0 HB1 ALA A 15 2.527 -0.123 -3.851 1.00 0.00 H new ATOM 0 HB2 ALA A 15 2.693 -0.991 -2.307 1.00 0.00 H new ATOM 0 HB3 ALA A 15 3.998 -1.067 -3.515 1.00 0.00 H new ATOM 202 N LEU A 16 1.447 -2.090 -6.258 1.00 0.00 N ATOM 203 CA LEU A 16 1.529 -2.135 -7.708 1.00 0.00 C ATOM 204 C LEU A 16 2.165 -0.840 -8.219 1.00 0.00 C ATOM 205 O LEU A 16 3.105 -0.877 -9.011 1.00 0.00 O ATOM 206 CB LEU A 16 0.154 -2.426 -8.314 1.00 0.00 C ATOM 207 CG LEU A 16 -0.472 -3.771 -7.941 1.00 0.00 C ATOM 208 CD1 LEU A 16 -1.956 -3.807 -8.313 1.00 0.00 C ATOM 209 CD2 LEU A 16 0.304 -4.930 -8.569 1.00 0.00 C ATOM 0 H LEU A 16 0.526 -1.853 -5.890 1.00 0.00 H new ATOM 0 HA LEU A 16 2.172 -2.955 -8.028 1.00 0.00 H new ATOM 0 HB2 LEU A 16 -0.530 -1.633 -8.011 1.00 0.00 H new ATOM 0 HB3 LEU A 16 0.239 -2.376 -9.400 1.00 0.00 H new ATOM 0 HG LEU A 16 -0.408 -3.889 -6.859 1.00 0.00 H new ATOM 0 HD11 LEU A 16 -2.377 -4.774 -8.037 1.00 0.00 H new ATOM 0 HD12 LEU A 16 -2.484 -3.016 -7.780 1.00 0.00 H new ATOM 0 HD13 LEU A 16 -2.066 -3.657 -9.387 1.00 0.00 H new ATOM 0 HD21 LEU A 16 -0.162 -5.874 -8.288 1.00 0.00 H new ATOM 0 HD22 LEU A 16 0.294 -4.829 -9.654 1.00 0.00 H new ATOM 0 HD23 LEU A 16 1.334 -4.914 -8.213 1.00 0.00 H new ATOM 221 N TYR A 17 1.626 0.273 -7.745 1.00 0.00 N ATOM 222 CA TYR A 17 2.128 1.577 -8.145 1.00 0.00 C ATOM 223 C TYR A 17 2.509 2.415 -6.923 1.00 0.00 C ATOM 224 O TYR A 17 1.971 2.214 -5.835 1.00 0.00 O ATOM 225 CB TYR A 17 0.978 2.265 -8.882 1.00 0.00 C ATOM 226 CG TYR A 17 0.276 1.374 -9.909 1.00 0.00 C ATOM 227 CD1 TYR A 17 -0.749 0.540 -9.513 1.00 0.00 C ATOM 228 CD2 TYR A 17 0.668 1.406 -11.232 1.00 0.00 C ATOM 229 CE1 TYR A 17 -1.410 -0.298 -10.480 1.00 0.00 C ATOM 230 CE2 TYR A 17 0.008 0.567 -12.199 1.00 0.00 C ATOM 231 CZ TYR A 17 -0.999 -0.243 -11.775 1.00 0.00 C ATOM 232 OH TYR A 17 -1.622 -1.035 -12.688 1.00 0.00 O ATOM 0 H TYR A 17 0.847 0.299 -7.088 1.00 0.00 H new ATOM 0 HA TYR A 17 3.018 1.472 -8.766 1.00 0.00 H new ATOM 0 HB2 TYR A 17 0.245 2.607 -8.152 1.00 0.00 H new ATOM 0 HB3 TYR A 17 1.362 3.151 -9.387 1.00 0.00 H new ATOM 0 HD1 TYR A 17 -1.056 0.515 -8.478 1.00 0.00 H new ATOM 0 HD2 TYR A 17 1.470 2.060 -11.542 1.00 0.00 H new ATOM 0 HE1 TYR A 17 -2.214 -0.955 -10.183 1.00 0.00 H new ATOM 0 HE2 TYR A 17 0.306 0.581 -13.237 1.00 0.00 H new ATOM 0 HH TYR A 17 -1.225 -0.890 -13.572 1.00 0.00 H new ATOM 242 N ALA A 18 3.434 3.338 -7.143 1.00 0.00 N ATOM 243 CA ALA A 18 3.893 4.208 -6.073 1.00 0.00 C ATOM 244 C ALA A 18 2.769 5.171 -5.687 1.00 0.00 C ATOM 245 O ALA A 18 2.208 5.852 -6.545 1.00 0.00 O ATOM 246 CB ALA A 18 5.160 4.940 -6.519 1.00 0.00 C ATOM 0 H ALA A 18 3.878 3.502 -8.046 1.00 0.00 H new ATOM 0 HA ALA A 18 4.147 3.626 -5.187 1.00 0.00 H new ATOM 0 HB1 ALA A 18 5.505 5.593 -5.717 1.00 0.00 H new ATOM 0 HB2 ALA A 18 5.937 4.212 -6.754 1.00 0.00 H new ATOM 0 HB3 ALA A 18 4.943 5.537 -7.404 1.00 0.00 H new ATOM 252 N CYS A 19 2.473 5.198 -4.396 1.00 0.00 N ATOM 253 CA CYS A 19 1.426 6.067 -3.886 1.00 0.00 C ATOM 254 C CYS A 19 2.060 7.066 -2.917 1.00 0.00 C ATOM 255 O CYS A 19 3.010 6.733 -2.210 1.00 0.00 O ATOM 256 CB CYS A 19 0.299 5.269 -3.227 1.00 0.00 C ATOM 257 SG CYS A 19 -1.319 6.023 -3.627 1.00 0.00 S ATOM 0 H CYS A 19 2.940 4.632 -3.688 1.00 0.00 H new ATOM 0 HA CYS A 19 0.964 6.607 -4.712 1.00 0.00 H new ATOM 0 HB2 CYS A 19 0.323 4.236 -3.573 1.00 0.00 H new ATOM 0 HB3 CYS A 19 0.442 5.247 -2.147 1.00 0.00 H new ATOM 0 HG CYS A 19 -1.693 5.644 -4.813 1.00 0.00 H new ATOM 263 N LYS A 20 1.510 8.271 -2.915 1.00 0.00 N ATOM 264 CA LYS A 20 2.010 9.321 -2.043 1.00 0.00 C ATOM 265 C LYS A 20 0.866 9.843 -1.171 1.00 0.00 C ATOM 266 O LYS A 20 -0.043 10.508 -1.666 1.00 0.00 O ATOM 267 CB LYS A 20 2.705 10.411 -2.862 1.00 0.00 C ATOM 268 CG LYS A 20 3.526 11.335 -1.960 1.00 0.00 C ATOM 269 CD LYS A 20 4.766 11.854 -2.691 1.00 0.00 C ATOM 270 CE LYS A 20 5.239 13.181 -2.094 1.00 0.00 C ATOM 271 NZ LYS A 20 5.738 12.980 -0.715 1.00 0.00 N ATOM 0 H LYS A 20 0.723 8.544 -3.503 1.00 0.00 H new ATOM 0 HA LYS A 20 2.770 8.926 -1.369 1.00 0.00 H new ATOM 0 HB2 LYS A 20 3.355 9.952 -3.607 1.00 0.00 H new ATOM 0 HB3 LYS A 20 1.960 10.994 -3.404 1.00 0.00 H new ATOM 0 HG2 LYS A 20 2.911 12.175 -1.638 1.00 0.00 H new ATOM 0 HG3 LYS A 20 3.828 10.798 -1.061 1.00 0.00 H new ATOM 0 HD2 LYS A 20 5.566 11.116 -2.626 1.00 0.00 H new ATOM 0 HD3 LYS A 20 4.540 11.987 -3.749 1.00 0.00 H new ATOM 0 HE2 LYS A 20 6.028 13.605 -2.715 1.00 0.00 H new ATOM 0 HE3 LYS A 20 4.418 13.898 -2.089 1.00 0.00 H new ATOM 0 HZ1 LYS A 20 6.071 13.887 -0.331 1.00 0.00 H new ATOM 0 HZ2 LYS A 20 4.970 12.612 -0.118 1.00 0.00 H new ATOM 0 HZ3 LYS A 20 6.524 12.299 -0.726 1.00 0.00 H new ATOM 285 N ALA A 21 0.948 9.520 0.111 1.00 0.00 N ATOM 286 CA ALA A 21 -0.069 9.947 1.057 1.00 0.00 C ATOM 287 C ALA A 21 -0.480 11.387 0.741 1.00 0.00 C ATOM 288 O ALA A 21 0.354 12.204 0.354 1.00 0.00 O ATOM 289 CB ALA A 21 0.462 9.792 2.483 1.00 0.00 C ATOM 0 H ALA A 21 1.703 8.967 0.517 1.00 0.00 H new ATOM 0 HA ALA A 21 -0.959 9.323 0.971 1.00 0.00 H new ATOM 0 HB1 ALA A 21 -0.301 10.112 3.192 1.00 0.00 H new ATOM 0 HB2 ALA A 21 0.712 8.747 2.667 1.00 0.00 H new ATOM 0 HB3 ALA A 21 1.354 10.406 2.608 1.00 0.00 H new ATOM 295 N GLU A 22 -1.766 11.654 0.919 1.00 0.00 N ATOM 296 CA GLU A 22 -2.297 12.981 0.658 1.00 0.00 C ATOM 297 C GLU A 22 -3.199 13.428 1.810 1.00 0.00 C ATOM 298 O GLU A 22 -3.898 14.434 1.702 1.00 0.00 O ATOM 299 CB GLU A 22 -3.050 13.018 -0.674 1.00 0.00 C ATOM 300 CG GLU A 22 -2.118 13.417 -1.820 1.00 0.00 C ATOM 301 CD GLU A 22 -2.683 14.609 -2.596 1.00 0.00 C ATOM 302 OE1 GLU A 22 -3.924 14.661 -2.732 1.00 0.00 O ATOM 303 OE2 GLU A 22 -1.860 15.441 -3.035 1.00 0.00 O ATOM 0 H GLU A 22 -2.455 10.974 1.241 1.00 0.00 H new ATOM 0 HA GLU A 22 -1.462 13.677 0.585 1.00 0.00 H new ATOM 0 HB2 GLU A 22 -3.484 12.039 -0.878 1.00 0.00 H new ATOM 0 HB3 GLU A 22 -3.876 13.726 -0.609 1.00 0.00 H new ATOM 0 HG2 GLU A 22 -1.135 13.670 -1.423 1.00 0.00 H new ATOM 0 HG3 GLU A 22 -1.982 12.571 -2.494 1.00 0.00 H new ATOM 310 N HIS A 23 -3.154 12.657 2.887 1.00 0.00 N ATOM 311 CA HIS A 23 -3.958 12.961 4.059 1.00 0.00 C ATOM 312 C HIS A 23 -3.092 12.862 5.316 1.00 0.00 C ATOM 313 O HIS A 23 -2.712 13.879 5.894 1.00 0.00 O ATOM 314 CB HIS A 23 -5.194 12.061 4.118 1.00 0.00 C ATOM 315 CG HIS A 23 -5.626 11.702 5.519 1.00 0.00 C ATOM 316 ND1 HIS A 23 -5.688 12.629 6.545 1.00 0.00 N ATOM 317 CD2 HIS A 23 -6.018 10.510 6.054 1.00 0.00 C ATOM 318 CE1 HIS A 23 -6.099 12.012 7.643 1.00 0.00 C ATOM 319 NE2 HIS A 23 -6.302 10.698 7.336 1.00 0.00 N ATOM 0 H HIS A 23 -2.574 11.823 2.973 1.00 0.00 H new ATOM 0 HA HIS A 23 -4.328 13.984 3.995 1.00 0.00 H new ATOM 0 HB2 HIS A 23 -6.019 12.561 3.611 1.00 0.00 H new ATOM 0 HB3 HIS A 23 -4.990 11.144 3.566 1.00 0.00 H new ATOM 0 HD1 HIS A 23 -5.456 13.619 6.469 1.00 0.00 H new ATOM 0 HD2 HIS A 23 -6.086 9.572 5.523 1.00 0.00 H new ATOM 0 HE1 HIS A 23 -6.247 12.469 8.610 1.00 0.00 H new ATOM 327 N ASP A 24 -2.805 11.628 5.702 1.00 0.00 N ATOM 328 CA ASP A 24 -1.991 11.382 6.880 1.00 0.00 C ATOM 329 C ASP A 24 -2.027 9.891 7.219 1.00 0.00 C ATOM 330 O ASP A 24 -0.984 9.247 7.314 1.00 0.00 O ATOM 331 CB ASP A 24 -2.524 12.154 8.089 1.00 0.00 C ATOM 332 CG ASP A 24 -1.514 13.092 8.754 1.00 0.00 C ATOM 333 OD1 ASP A 24 -0.470 12.573 9.204 1.00 0.00 O ATOM 334 OD2 ASP A 24 -1.810 14.305 8.797 1.00 0.00 O ATOM 0 H ASP A 24 -3.122 10.787 5.220 1.00 0.00 H new ATOM 0 HA ASP A 24 -0.975 11.710 6.661 1.00 0.00 H new ATOM 0 HB2 ASP A 24 -3.389 12.739 7.775 1.00 0.00 H new ATOM 0 HB3 ASP A 24 -2.876 11.438 8.832 1.00 0.00 H new ATOM 339 N SER A 25 -3.240 9.385 7.390 1.00 0.00 N ATOM 340 CA SER A 25 -3.426 7.981 7.715 1.00 0.00 C ATOM 341 C SER A 25 -2.839 7.104 6.607 1.00 0.00 C ATOM 342 O SER A 25 -2.233 6.070 6.884 1.00 0.00 O ATOM 343 CB SER A 25 -4.906 7.655 7.922 1.00 0.00 C ATOM 344 OG SER A 25 -5.092 6.383 8.537 1.00 0.00 O ATOM 0 H SER A 25 -4.103 9.922 7.310 1.00 0.00 H new ATOM 0 HA SER A 25 -2.902 7.774 8.648 1.00 0.00 H new ATOM 0 HB2 SER A 25 -5.364 8.427 8.540 1.00 0.00 H new ATOM 0 HB3 SER A 25 -5.419 7.671 6.960 1.00 0.00 H new ATOM 0 HG SER A 25 -6.050 6.213 8.653 1.00 0.00 H new ATOM 350 N GLU A 26 -3.038 7.550 5.376 1.00 0.00 N ATOM 351 CA GLU A 26 -2.536 6.820 4.224 1.00 0.00 C ATOM 352 C GLU A 26 -1.045 6.522 4.393 1.00 0.00 C ATOM 353 O GLU A 26 -0.371 7.152 5.208 1.00 0.00 O ATOM 354 CB GLU A 26 -2.798 7.590 2.929 1.00 0.00 C ATOM 355 CG GLU A 26 -4.261 7.459 2.499 1.00 0.00 C ATOM 356 CD GLU A 26 -4.420 7.735 1.003 1.00 0.00 C ATOM 357 OE1 GLU A 26 -3.468 7.407 0.261 1.00 0.00 O ATOM 358 OE2 GLU A 26 -5.489 8.267 0.634 1.00 0.00 O ATOM 0 H GLU A 26 -3.540 8.409 5.151 1.00 0.00 H new ATOM 0 HA GLU A 26 -3.071 5.873 4.158 1.00 0.00 H new ATOM 0 HB2 GLU A 26 -2.550 8.642 3.071 1.00 0.00 H new ATOM 0 HB3 GLU A 26 -2.148 7.213 2.140 1.00 0.00 H new ATOM 0 HG2 GLU A 26 -4.623 6.456 2.728 1.00 0.00 H new ATOM 0 HG3 GLU A 26 -4.875 8.157 3.068 1.00 0.00 H new ATOM 365 N LEU A 27 -0.573 5.563 3.611 1.00 0.00 N ATOM 366 CA LEU A 27 0.826 5.175 3.664 1.00 0.00 C ATOM 367 C LEU A 27 1.502 5.537 2.340 1.00 0.00 C ATOM 368 O LEU A 27 0.885 5.450 1.279 1.00 0.00 O ATOM 369 CB LEU A 27 0.958 3.697 4.037 1.00 0.00 C ATOM 370 CG LEU A 27 0.693 3.350 5.504 1.00 0.00 C ATOM 371 CD1 LEU A 27 0.607 1.835 5.701 1.00 0.00 C ATOM 372 CD2 LEU A 27 1.742 3.988 6.417 1.00 0.00 C ATOM 0 H LEU A 27 -1.135 5.043 2.937 1.00 0.00 H new ATOM 0 HA LEU A 27 1.344 5.726 4.449 1.00 0.00 H new ATOM 0 HB2 LEU A 27 0.268 3.123 3.418 1.00 0.00 H new ATOM 0 HB3 LEU A 27 1.965 3.367 3.782 1.00 0.00 H new ATOM 0 HG LEU A 27 -0.274 3.767 5.785 1.00 0.00 H new ATOM 0 HD11 LEU A 27 0.418 1.615 6.752 1.00 0.00 H new ATOM 0 HD12 LEU A 27 -0.206 1.435 5.095 1.00 0.00 H new ATOM 0 HD13 LEU A 27 1.547 1.375 5.397 1.00 0.00 H new ATOM 0 HD21 LEU A 27 1.530 3.726 7.454 1.00 0.00 H new ATOM 0 HD22 LEU A 27 2.732 3.622 6.145 1.00 0.00 H new ATOM 0 HD23 LEU A 27 1.712 5.072 6.304 1.00 0.00 H new ATOM 384 N SER A 28 2.761 5.936 2.445 1.00 0.00 N ATOM 385 CA SER A 28 3.527 6.312 1.269 1.00 0.00 C ATOM 386 C SER A 28 4.628 5.282 1.010 1.00 0.00 C ATOM 387 O SER A 28 5.432 4.992 1.894 1.00 0.00 O ATOM 388 CB SER A 28 4.133 7.708 1.429 1.00 0.00 C ATOM 389 OG SER A 28 4.857 7.838 2.650 1.00 0.00 O ATOM 0 H SER A 28 3.270 6.007 3.326 1.00 0.00 H new ATOM 0 HA SER A 28 2.851 6.335 0.414 1.00 0.00 H new ATOM 0 HB2 SER A 28 4.797 7.913 0.590 1.00 0.00 H new ATOM 0 HB3 SER A 28 3.339 8.454 1.397 1.00 0.00 H new ATOM 0 HG SER A 28 5.262 6.977 2.884 1.00 0.00 H new ATOM 395 N PHE A 29 4.629 4.756 -0.206 1.00 0.00 N ATOM 396 CA PHE A 29 5.618 3.764 -0.592 1.00 0.00 C ATOM 397 C PHE A 29 5.857 3.788 -2.104 1.00 0.00 C ATOM 398 O PHE A 29 5.355 4.668 -2.801 1.00 0.00 O ATOM 399 CB PHE A 29 5.057 2.397 -0.198 1.00 0.00 C ATOM 400 CG PHE A 29 3.557 2.241 -0.457 1.00 0.00 C ATOM 401 CD1 PHE A 29 3.109 1.959 -1.710 1.00 0.00 C ATOM 402 CD2 PHE A 29 2.672 2.384 0.565 1.00 0.00 C ATOM 403 CE1 PHE A 29 1.717 1.814 -1.950 1.00 0.00 C ATOM 404 CE2 PHE A 29 1.280 2.239 0.325 1.00 0.00 C ATOM 405 CZ PHE A 29 0.832 1.957 -0.928 1.00 0.00 C ATOM 0 H PHE A 29 3.960 4.998 -0.937 1.00 0.00 H new ATOM 0 HA PHE A 29 6.567 3.972 -0.098 1.00 0.00 H new ATOM 0 HB2 PHE A 29 5.593 1.624 -0.749 1.00 0.00 H new ATOM 0 HB3 PHE A 29 5.252 2.227 0.861 1.00 0.00 H new ATOM 0 HD1 PHE A 29 3.812 1.845 -2.522 1.00 0.00 H new ATOM 0 HD2 PHE A 29 3.028 2.608 1.560 1.00 0.00 H new ATOM 0 HE1 PHE A 29 1.361 1.590 -2.945 1.00 0.00 H new ATOM 0 HE2 PHE A 29 0.577 2.353 1.137 1.00 0.00 H new ATOM 0 HZ PHE A 29 -0.227 1.847 -1.111 1.00 0.00 H new ATOM 415 N THR A 30 6.622 2.810 -2.564 1.00 0.00 N ATOM 416 CA THR A 30 6.934 2.707 -3.980 1.00 0.00 C ATOM 417 C THR A 30 6.534 1.331 -4.516 1.00 0.00 C ATOM 418 O THR A 30 6.494 0.357 -3.766 1.00 0.00 O ATOM 419 CB THR A 30 8.421 3.020 -4.161 1.00 0.00 C ATOM 420 OG1 THR A 30 9.082 2.027 -3.383 1.00 0.00 O ATOM 421 CG2 THR A 30 8.825 4.340 -3.501 1.00 0.00 C ATOM 0 H THR A 30 7.035 2.081 -1.982 1.00 0.00 H new ATOM 0 HA THR A 30 6.362 3.428 -4.564 1.00 0.00 H new ATOM 0 HB THR A 30 8.657 3.058 -5.224 1.00 0.00 H new ATOM 0 HG1 THR A 30 10.052 2.155 -3.445 1.00 0.00 H new ATOM 0 HG21 THR A 30 9.889 4.515 -3.659 1.00 0.00 H new ATOM 0 HG22 THR A 30 8.254 5.157 -3.942 1.00 0.00 H new ATOM 0 HG23 THR A 30 8.620 4.290 -2.432 1.00 0.00 H new ATOM 429 N ALA A 31 6.247 1.295 -5.809 1.00 0.00 N ATOM 430 CA ALA A 31 5.851 0.055 -6.454 1.00 0.00 C ATOM 431 C ALA A 31 6.846 -1.047 -6.084 1.00 0.00 C ATOM 432 O ALA A 31 8.051 -0.808 -6.028 1.00 0.00 O ATOM 433 CB ALA A 31 5.758 0.272 -7.965 1.00 0.00 C ATOM 0 H ALA A 31 6.281 2.105 -6.428 1.00 0.00 H new ATOM 0 HA ALA A 31 4.866 -0.259 -6.109 1.00 0.00 H new ATOM 0 HB1 ALA A 31 5.461 -0.659 -8.449 1.00 0.00 H new ATOM 0 HB2 ALA A 31 5.018 1.044 -8.177 1.00 0.00 H new ATOM 0 HB3 ALA A 31 6.729 0.586 -8.348 1.00 0.00 H new ATOM 439 N GLY A 32 6.304 -2.232 -5.840 1.00 0.00 N ATOM 440 CA GLY A 32 7.129 -3.371 -5.476 1.00 0.00 C ATOM 441 C GLY A 32 7.384 -3.405 -3.968 1.00 0.00 C ATOM 442 O GLY A 32 8.272 -4.116 -3.501 1.00 0.00 O ATOM 0 H GLY A 32 5.304 -2.427 -5.887 1.00 0.00 H new ATOM 0 HA2 GLY A 32 6.638 -4.294 -5.786 1.00 0.00 H new ATOM 0 HA3 GLY A 32 8.079 -3.321 -6.008 1.00 0.00 H new ATOM 446 N THR A 33 6.589 -2.627 -3.248 1.00 0.00 N ATOM 447 CA THR A 33 6.718 -2.559 -1.803 1.00 0.00 C ATOM 448 C THR A 33 5.770 -3.558 -1.135 1.00 0.00 C ATOM 449 O THR A 33 4.556 -3.484 -1.317 1.00 0.00 O ATOM 450 CB THR A 33 6.473 -1.110 -1.374 1.00 0.00 C ATOM 451 OG1 THR A 33 7.700 -0.449 -1.670 1.00 0.00 O ATOM 452 CG2 THR A 33 6.328 -0.965 0.142 1.00 0.00 C ATOM 0 H THR A 33 5.853 -2.038 -3.639 1.00 0.00 H new ATOM 0 HA THR A 33 7.720 -2.844 -1.482 1.00 0.00 H new ATOM 0 HB THR A 33 5.574 -0.734 -1.862 1.00 0.00 H new ATOM 0 HG1 THR A 33 7.555 0.205 -2.386 1.00 0.00 H new ATOM 0 HG21 THR A 33 6.156 0.082 0.393 1.00 0.00 H new ATOM 0 HG22 THR A 33 5.485 -1.564 0.486 1.00 0.00 H new ATOM 0 HG23 THR A 33 7.240 -1.309 0.629 1.00 0.00 H new ATOM 460 N VAL A 34 6.362 -4.468 -0.376 1.00 0.00 N ATOM 461 CA VAL A 34 5.586 -5.481 0.319 1.00 0.00 C ATOM 462 C VAL A 34 5.156 -4.940 1.684 1.00 0.00 C ATOM 463 O VAL A 34 5.959 -4.343 2.400 1.00 0.00 O ATOM 464 CB VAL A 34 6.389 -6.780 0.417 1.00 0.00 C ATOM 465 CG1 VAL A 34 5.904 -7.637 1.588 1.00 0.00 C ATOM 466 CG2 VAL A 34 6.329 -7.562 -0.897 1.00 0.00 C ATOM 0 H VAL A 34 7.369 -4.525 -0.227 1.00 0.00 H new ATOM 0 HA VAL A 34 4.679 -5.716 -0.238 1.00 0.00 H new ATOM 0 HB VAL A 34 7.430 -6.517 0.603 1.00 0.00 H new ATOM 0 HG11 VAL A 34 6.491 -8.554 1.635 1.00 0.00 H new ATOM 0 HG12 VAL A 34 6.022 -7.082 2.519 1.00 0.00 H new ATOM 0 HG13 VAL A 34 4.852 -7.886 1.445 1.00 0.00 H new ATOM 0 HG21 VAL A 34 6.908 -8.481 -0.800 1.00 0.00 H new ATOM 0 HG22 VAL A 34 5.292 -7.809 -1.127 1.00 0.00 H new ATOM 0 HG23 VAL A 34 6.744 -6.955 -1.701 1.00 0.00 H new ATOM 476 N PHE A 35 3.890 -5.167 2.004 1.00 0.00 N ATOM 477 CA PHE A 35 3.344 -4.710 3.270 1.00 0.00 C ATOM 478 C PHE A 35 3.133 -5.882 4.231 1.00 0.00 C ATOM 479 O PHE A 35 2.426 -6.835 3.907 1.00 0.00 O ATOM 480 CB PHE A 35 1.991 -4.064 2.966 1.00 0.00 C ATOM 481 CG PHE A 35 2.075 -2.851 2.038 1.00 0.00 C ATOM 482 CD1 PHE A 35 2.412 -1.633 2.539 1.00 0.00 C ATOM 483 CD2 PHE A 35 1.812 -2.991 0.711 1.00 0.00 C ATOM 484 CE1 PHE A 35 2.490 -0.507 1.677 1.00 0.00 C ATOM 485 CE2 PHE A 35 1.890 -1.866 -0.152 1.00 0.00 C ATOM 486 CZ PHE A 35 2.227 -0.647 0.350 1.00 0.00 C ATOM 0 H PHE A 35 3.227 -5.662 1.408 1.00 0.00 H new ATOM 0 HA PHE A 35 4.033 -4.009 3.741 1.00 0.00 H new ATOM 0 HB2 PHE A 35 1.337 -4.810 2.514 1.00 0.00 H new ATOM 0 HB3 PHE A 35 1.526 -3.760 3.904 1.00 0.00 H new ATOM 0 HD1 PHE A 35 2.620 -1.522 3.593 1.00 0.00 H new ATOM 0 HD2 PHE A 35 1.544 -3.959 0.313 1.00 0.00 H new ATOM 0 HE1 PHE A 35 2.758 0.460 2.075 1.00 0.00 H new ATOM 0 HE2 PHE A 35 1.682 -1.978 -1.206 1.00 0.00 H new ATOM 0 HZ PHE A 35 2.286 0.209 -0.305 1.00 0.00 H new ATOM 496 N ASP A 36 3.759 -5.772 5.394 1.00 0.00 N ATOM 497 CA ASP A 36 3.648 -6.811 6.404 1.00 0.00 C ATOM 498 C ASP A 36 2.306 -6.672 7.126 1.00 0.00 C ATOM 499 O ASP A 36 1.901 -5.568 7.485 1.00 0.00 O ATOM 500 CB ASP A 36 4.761 -6.687 7.446 1.00 0.00 C ATOM 501 CG ASP A 36 5.894 -7.704 7.306 1.00 0.00 C ATOM 502 OD1 ASP A 36 6.687 -7.544 6.353 1.00 0.00 O ATOM 503 OD2 ASP A 36 5.943 -8.620 8.155 1.00 0.00 O ATOM 0 H ASP A 36 4.344 -4.980 5.659 1.00 0.00 H new ATOM 0 HA ASP A 36 3.728 -7.777 5.905 1.00 0.00 H new ATOM 0 HB2 ASP A 36 5.184 -5.684 7.386 1.00 0.00 H new ATOM 0 HB3 ASP A 36 4.322 -6.789 8.438 1.00 0.00 H new ATOM 508 N ASN A 37 1.653 -7.809 7.318 1.00 0.00 N ATOM 509 CA ASN A 37 0.366 -7.829 7.991 1.00 0.00 C ATOM 510 C ASN A 37 -0.598 -6.886 7.266 1.00 0.00 C ATOM 511 O ASN A 37 -0.719 -5.718 7.630 1.00 0.00 O ATOM 512 CB ASN A 37 0.494 -7.352 9.439 1.00 0.00 C ATOM 513 CG ASN A 37 -0.499 -8.082 10.346 1.00 0.00 C ATOM 514 OD1 ASN A 37 -1.485 -8.647 9.903 1.00 0.00 O ATOM 515 ND2 ASN A 37 -0.184 -8.039 11.637 1.00 0.00 N ATOM 0 H ASN A 37 1.992 -8.723 7.019 1.00 0.00 H new ATOM 0 HA ASN A 37 -0.004 -8.854 7.981 1.00 0.00 H new ATOM 0 HB2 ASN A 37 1.510 -7.524 9.794 1.00 0.00 H new ATOM 0 HB3 ASN A 37 0.316 -6.278 9.489 1.00 0.00 H new ATOM 0 HD21 ASN A 37 -0.783 -8.497 12.324 1.00 0.00 H new ATOM 0 HD22 ASN A 37 0.657 -7.548 11.941 1.00 0.00 H new ATOM 522 N VAL A 38 -1.258 -7.430 6.255 1.00 0.00 N ATOM 523 CA VAL A 38 -2.207 -6.652 5.476 1.00 0.00 C ATOM 524 C VAL A 38 -3.623 -7.166 5.745 1.00 0.00 C ATOM 525 O VAL A 38 -3.815 -8.346 6.033 1.00 0.00 O ATOM 526 CB VAL A 38 -1.827 -6.694 3.995 1.00 0.00 C ATOM 527 CG1 VAL A 38 -2.967 -6.165 3.122 1.00 0.00 C ATOM 528 CG2 VAL A 38 -0.534 -5.919 3.738 1.00 0.00 C ATOM 0 H VAL A 38 -1.155 -8.400 5.957 1.00 0.00 H new ATOM 0 HA VAL A 38 -2.179 -5.604 5.775 1.00 0.00 H new ATOM 0 HB VAL A 38 -1.652 -7.735 3.723 1.00 0.00 H new ATOM 0 HG11 VAL A 38 -2.671 -6.206 2.074 1.00 0.00 H new ATOM 0 HG12 VAL A 38 -3.855 -6.778 3.273 1.00 0.00 H new ATOM 0 HG13 VAL A 38 -3.187 -5.134 3.397 1.00 0.00 H new ATOM 0 HG21 VAL A 38 -0.287 -5.965 2.677 1.00 0.00 H new ATOM 0 HG22 VAL A 38 -0.668 -4.879 4.034 1.00 0.00 H new ATOM 0 HG23 VAL A 38 0.276 -6.360 4.319 1.00 0.00 H new ATOM 538 N HIS A 39 -4.579 -6.254 5.642 1.00 0.00 N ATOM 539 CA HIS A 39 -5.971 -6.600 5.871 1.00 0.00 C ATOM 540 C HIS A 39 -6.869 -5.458 5.390 1.00 0.00 C ATOM 541 O HIS A 39 -6.396 -4.346 5.161 1.00 0.00 O ATOM 542 CB HIS A 39 -6.207 -6.962 7.338 1.00 0.00 C ATOM 543 CG HIS A 39 -6.534 -5.779 8.218 1.00 0.00 C ATOM 544 ND1 HIS A 39 -7.776 -5.170 8.224 1.00 0.00 N ATOM 545 CD2 HIS A 39 -5.768 -5.102 9.121 1.00 0.00 C ATOM 546 CE1 HIS A 39 -7.748 -4.171 9.093 1.00 0.00 C ATOM 547 NE2 HIS A 39 -6.503 -4.130 9.648 1.00 0.00 N ATOM 0 H HIS A 39 -4.416 -5.276 5.403 1.00 0.00 H new ATOM 0 HA HIS A 39 -6.229 -7.487 5.293 1.00 0.00 H new ATOM 0 HB2 HIS A 39 -7.023 -7.682 7.397 1.00 0.00 H new ATOM 0 HB3 HIS A 39 -5.317 -7.456 7.727 1.00 0.00 H new ATOM 0 HD1 HIS A 39 -8.577 -5.444 7.656 1.00 0.00 H new ATOM 0 HD2 HIS A 39 -4.739 -5.320 9.366 1.00 0.00 H new ATOM 0 HE1 HIS A 39 -8.567 -3.506 9.322 1.00 0.00 H new ATOM 555 N PRO A 40 -8.183 -5.781 5.248 1.00 0.00 N ATOM 556 CA PRO A 40 -9.151 -4.795 4.800 1.00 0.00 C ATOM 557 C PRO A 40 -9.480 -3.801 5.916 1.00 0.00 C ATOM 558 O PRO A 40 -10.079 -4.171 6.924 1.00 0.00 O ATOM 559 CB PRO A 40 -10.357 -5.604 4.351 1.00 0.00 C ATOM 560 CG PRO A 40 -10.203 -6.973 4.994 1.00 0.00 C ATOM 561 CD PRO A 40 -8.779 -7.087 5.511 1.00 0.00 C ATOM 0 HA PRO A 40 -8.775 -4.178 3.984 1.00 0.00 H new ATOM 0 HB2 PRO A 40 -11.286 -5.127 4.665 1.00 0.00 H new ATOM 0 HB3 PRO A 40 -10.391 -5.684 3.264 1.00 0.00 H new ATOM 0 HG2 PRO A 40 -10.916 -7.094 5.809 1.00 0.00 H new ATOM 0 HG3 PRO A 40 -10.410 -7.761 4.270 1.00 0.00 H new ATOM 0 HD2 PRO A 40 -8.762 -7.323 6.575 1.00 0.00 H new ATOM 0 HD3 PRO A 40 -8.235 -7.881 5.000 1.00 0.00 H new ATOM 569 N SER A 41 -9.074 -2.559 5.697 1.00 0.00 N ATOM 570 CA SER A 41 -9.318 -1.510 6.672 1.00 0.00 C ATOM 571 C SER A 41 -10.822 -1.344 6.897 1.00 0.00 C ATOM 572 O SER A 41 -11.602 -2.245 6.593 1.00 0.00 O ATOM 573 CB SER A 41 -8.699 -0.185 6.221 1.00 0.00 C ATOM 574 OG SER A 41 -9.587 0.566 5.396 1.00 0.00 O ATOM 0 H SER A 41 -8.578 -2.256 4.859 1.00 0.00 H new ATOM 0 HA SER A 41 -8.847 -1.799 7.611 1.00 0.00 H new ATOM 0 HB2 SER A 41 -8.430 0.406 7.096 1.00 0.00 H new ATOM 0 HB3 SER A 41 -7.777 -0.383 5.675 1.00 0.00 H new ATOM 0 HG SER A 41 -9.557 0.217 4.481 1.00 0.00 H new ATOM 580 N GLN A 42 -11.184 -0.186 7.429 1.00 0.00 N ATOM 581 CA GLN A 42 -12.581 0.110 7.698 1.00 0.00 C ATOM 582 C GLN A 42 -13.306 0.477 6.402 1.00 0.00 C ATOM 583 O GLN A 42 -14.468 0.122 6.215 1.00 0.00 O ATOM 584 CB GLN A 42 -12.715 1.225 8.737 1.00 0.00 C ATOM 585 CG GLN A 42 -13.942 1.004 9.624 1.00 0.00 C ATOM 586 CD GLN A 42 -15.215 1.492 8.929 1.00 0.00 C ATOM 587 OE1 GLN A 42 -15.564 2.660 8.965 1.00 0.00 O ATOM 588 NE2 GLN A 42 -15.888 0.534 8.298 1.00 0.00 N ATOM 0 H GLN A 42 -10.534 0.559 7.681 1.00 0.00 H new ATOM 0 HA GLN A 42 -13.048 -0.784 8.111 1.00 0.00 H new ATOM 0 HB2 GLN A 42 -11.817 1.261 9.354 1.00 0.00 H new ATOM 0 HB3 GLN A 42 -12.795 2.188 8.233 1.00 0.00 H new ATOM 0 HG2 GLN A 42 -14.037 -0.055 9.863 1.00 0.00 H new ATOM 0 HG3 GLN A 42 -13.813 1.533 10.568 1.00 0.00 H new ATOM 0 HE21 GLN A 42 -15.540 -0.425 8.307 1.00 0.00 H new ATOM 0 HE22 GLN A 42 -16.752 0.758 7.805 1.00 0.00 H new ATOM 597 N GLU A 43 -12.589 1.184 5.541 1.00 0.00 N ATOM 598 CA GLU A 43 -13.149 1.604 4.268 1.00 0.00 C ATOM 599 C GLU A 43 -13.273 0.408 3.322 1.00 0.00 C ATOM 600 O GLU A 43 -12.367 -0.420 3.240 1.00 0.00 O ATOM 601 CB GLU A 43 -12.308 2.716 3.638 1.00 0.00 C ATOM 602 CG GLU A 43 -13.085 4.033 3.592 1.00 0.00 C ATOM 603 CD GLU A 43 -13.811 4.194 2.255 1.00 0.00 C ATOM 604 OE1 GLU A 43 -13.204 3.815 1.230 1.00 0.00 O ATOM 605 OE2 GLU A 43 -14.957 4.693 2.287 1.00 0.00 O ATOM 0 H GLU A 43 -11.625 1.477 5.700 1.00 0.00 H new ATOM 0 HA GLU A 43 -14.146 2.006 4.448 1.00 0.00 H new ATOM 0 HB2 GLU A 43 -11.390 2.851 4.210 1.00 0.00 H new ATOM 0 HB3 GLU A 43 -12.015 2.427 2.629 1.00 0.00 H new ATOM 0 HG2 GLU A 43 -13.807 4.062 4.408 1.00 0.00 H new ATOM 0 HG3 GLU A 43 -12.401 4.868 3.742 1.00 0.00 H new ATOM 612 N PRO A 44 -14.432 0.353 2.613 1.00 0.00 N ATOM 613 CA PRO A 44 -14.686 -0.728 1.677 1.00 0.00 C ATOM 614 C PRO A 44 -13.871 -0.546 0.395 1.00 0.00 C ATOM 615 O PRO A 44 -14.420 -0.582 -0.705 1.00 0.00 O ATOM 616 CB PRO A 44 -16.187 -0.696 1.435 1.00 0.00 C ATOM 617 CG PRO A 44 -16.650 0.683 1.877 1.00 0.00 C ATOM 618 CD PRO A 44 -15.528 1.315 2.684 1.00 0.00 C ATOM 0 HA PRO A 44 -14.379 -1.700 2.064 1.00 0.00 H new ATOM 0 HB2 PRO A 44 -16.417 -0.867 0.383 1.00 0.00 H new ATOM 0 HB3 PRO A 44 -16.691 -1.478 2.003 1.00 0.00 H new ATOM 0 HG2 PRO A 44 -16.892 1.300 1.012 1.00 0.00 H new ATOM 0 HG3 PRO A 44 -17.556 0.607 2.478 1.00 0.00 H new ATOM 0 HD2 PRO A 44 -15.236 2.279 2.268 1.00 0.00 H new ATOM 0 HD3 PRO A 44 -15.833 1.492 3.715 1.00 0.00 H new ATOM 626 N GLY A 45 -12.573 -0.355 0.580 1.00 0.00 N ATOM 627 CA GLY A 45 -11.676 -0.168 -0.548 1.00 0.00 C ATOM 628 C GLY A 45 -10.345 0.437 -0.096 1.00 0.00 C ATOM 629 O GLY A 45 -9.771 1.273 -0.791 1.00 0.00 O ATOM 0 H GLY A 45 -12.121 -0.326 1.494 1.00 0.00 H new ATOM 0 HA2 GLY A 45 -11.497 -1.125 -1.037 1.00 0.00 H new ATOM 0 HA3 GLY A 45 -12.144 0.484 -1.285 1.00 0.00 H new ATOM 633 N TRP A 46 -9.893 -0.012 1.066 1.00 0.00 N ATOM 634 CA TRP A 46 -8.640 0.474 1.619 1.00 0.00 C ATOM 635 C TRP A 46 -8.102 -0.590 2.578 1.00 0.00 C ATOM 636 O TRP A 46 -8.770 -0.955 3.544 1.00 0.00 O ATOM 637 CB TRP A 46 -8.828 1.839 2.286 1.00 0.00 C ATOM 638 CG TRP A 46 -8.990 2.996 1.299 1.00 0.00 C ATOM 639 CD1 TRP A 46 -10.127 3.518 0.818 1.00 0.00 C ATOM 640 CD2 TRP A 46 -7.929 3.760 0.688 1.00 0.00 C ATOM 641 NE1 TRP A 46 -9.877 4.557 -0.055 1.00 0.00 N ATOM 642 CE2 TRP A 46 -8.498 4.709 -0.136 1.00 0.00 C ATOM 643 CE3 TRP A 46 -6.534 3.653 0.827 1.00 0.00 C ATOM 644 CZ2 TRP A 46 -7.748 5.624 -0.885 1.00 0.00 C ATOM 645 CZ3 TRP A 46 -5.798 4.574 0.072 1.00 0.00 C ATOM 646 CH2 TRP A 46 -6.356 5.535 -0.762 1.00 0.00 C ATOM 0 H TRP A 46 -10.372 -0.707 1.639 1.00 0.00 H new ATOM 0 HA TRP A 46 -7.906 0.634 0.829 1.00 0.00 H new ATOM 0 HB2 TRP A 46 -9.706 1.799 2.931 1.00 0.00 H new ATOM 0 HB3 TRP A 46 -7.970 2.040 2.928 1.00 0.00 H new ATOM 0 HD1 TRP A 46 -11.115 3.169 1.081 1.00 0.00 H new ATOM 0 HE1 TRP A 46 -10.576 5.111 -0.550 1.00 0.00 H new ATOM 0 HE3 TRP A 46 -6.067 2.918 1.466 1.00 0.00 H new ATOM 0 HZ2 TRP A 46 -8.218 6.358 -1.523 1.00 0.00 H new ATOM 0 HZ3 TRP A 46 -4.721 4.535 0.143 1.00 0.00 H new ATOM 0 HH2 TRP A 46 -5.719 6.211 -1.313 1.00 0.00 H new ATOM 657 N LEU A 47 -6.900 -1.059 2.276 1.00 0.00 N ATOM 658 CA LEU A 47 -6.265 -2.074 3.099 1.00 0.00 C ATOM 659 C LEU A 47 -5.476 -1.396 4.221 1.00 0.00 C ATOM 660 O LEU A 47 -4.887 -0.335 4.016 1.00 0.00 O ATOM 661 CB LEU A 47 -5.421 -3.013 2.235 1.00 0.00 C ATOM 662 CG LEU A 47 -6.131 -3.638 1.032 1.00 0.00 C ATOM 663 CD1 LEU A 47 -5.159 -4.465 0.189 1.00 0.00 C ATOM 664 CD2 LEU A 47 -7.345 -4.457 1.476 1.00 0.00 C ATOM 0 H LEU A 47 -6.349 -0.755 1.473 1.00 0.00 H new ATOM 0 HA LEU A 47 -7.017 -2.704 3.574 1.00 0.00 H new ATOM 0 HB2 LEU A 47 -4.554 -2.460 1.873 1.00 0.00 H new ATOM 0 HB3 LEU A 47 -5.045 -3.817 2.868 1.00 0.00 H new ATOM 0 HG LEU A 47 -6.501 -2.832 0.398 1.00 0.00 H new ATOM 0 HD11 LEU A 47 -5.690 -4.898 -0.659 1.00 0.00 H new ATOM 0 HD12 LEU A 47 -4.356 -3.824 -0.174 1.00 0.00 H new ATOM 0 HD13 LEU A 47 -4.737 -5.264 0.799 1.00 0.00 H new ATOM 0 HD21 LEU A 47 -7.831 -4.890 0.602 1.00 0.00 H new ATOM 0 HD22 LEU A 47 -7.021 -5.255 2.144 1.00 0.00 H new ATOM 0 HD23 LEU A 47 -8.049 -3.810 1.999 1.00 0.00 H new ATOM 676 N GLU A 48 -5.490 -2.035 5.381 1.00 0.00 N ATOM 677 CA GLU A 48 -4.783 -1.506 6.535 1.00 0.00 C ATOM 678 C GLU A 48 -3.687 -2.478 6.977 1.00 0.00 C ATOM 679 O GLU A 48 -3.966 -3.471 7.648 1.00 0.00 O ATOM 680 CB GLU A 48 -5.751 -1.213 7.683 1.00 0.00 C ATOM 681 CG GLU A 48 -5.092 -0.328 8.744 1.00 0.00 C ATOM 682 CD GLU A 48 -6.139 0.478 9.514 1.00 0.00 C ATOM 683 OE1 GLU A 48 -7.231 -0.085 9.746 1.00 0.00 O ATOM 684 OE2 GLU A 48 -5.824 1.639 9.854 1.00 0.00 O ATOM 0 H GLU A 48 -5.980 -2.914 5.547 1.00 0.00 H new ATOM 0 HA GLU A 48 -4.313 -0.565 6.249 1.00 0.00 H new ATOM 0 HB2 GLU A 48 -6.642 -0.719 7.295 1.00 0.00 H new ATOM 0 HB3 GLU A 48 -6.077 -2.149 8.136 1.00 0.00 H new ATOM 0 HG2 GLU A 48 -4.523 -0.948 9.437 1.00 0.00 H new ATOM 0 HG3 GLU A 48 -4.384 0.350 8.268 1.00 0.00 H new ATOM 691 N GLY A 49 -2.463 -2.158 6.583 1.00 0.00 N ATOM 692 CA GLY A 49 -1.324 -2.990 6.930 1.00 0.00 C ATOM 693 C GLY A 49 -0.156 -2.139 7.433 1.00 0.00 C ATOM 694 O GLY A 49 -0.323 -0.952 7.710 1.00 0.00 O ATOM 0 H GLY A 49 -2.236 -1.334 6.027 1.00 0.00 H new ATOM 0 HA2 GLY A 49 -1.614 -3.707 7.698 1.00 0.00 H new ATOM 0 HA3 GLY A 49 -1.011 -3.565 6.059 1.00 0.00 H new ATOM 698 N THR A 50 0.999 -2.778 7.536 1.00 0.00 N ATOM 699 CA THR A 50 2.194 -2.095 8.000 1.00 0.00 C ATOM 700 C THR A 50 3.263 -2.085 6.906 1.00 0.00 C ATOM 701 O THR A 50 3.390 -3.046 6.148 1.00 0.00 O ATOM 702 CB THR A 50 2.654 -2.772 9.293 1.00 0.00 C ATOM 703 OG1 THR A 50 1.535 -2.649 10.166 1.00 0.00 O ATOM 704 CG2 THR A 50 3.766 -1.993 9.999 1.00 0.00 C ATOM 0 H THR A 50 1.133 -3.763 7.306 1.00 0.00 H new ATOM 0 HA THR A 50 1.990 -1.047 8.219 1.00 0.00 H new ATOM 0 HB THR A 50 3.003 -3.780 9.070 1.00 0.00 H new ATOM 0 HG1 THR A 50 1.660 -1.872 10.750 1.00 0.00 H new ATOM 0 HG21 THR A 50 4.055 -2.517 10.910 1.00 0.00 H new ATOM 0 HG22 THR A 50 4.629 -1.911 9.338 1.00 0.00 H new ATOM 0 HG23 THR A 50 3.407 -0.995 10.252 1.00 0.00 H new ATOM 712 N LEU A 51 4.005 -0.989 6.857 1.00 0.00 N ATOM 713 CA LEU A 51 5.059 -0.842 5.868 1.00 0.00 C ATOM 714 C LEU A 51 6.417 -0.824 6.574 1.00 0.00 C ATOM 715 O LEU A 51 7.195 -1.769 6.454 1.00 0.00 O ATOM 716 CB LEU A 51 4.805 0.387 4.993 1.00 0.00 C ATOM 717 CG LEU A 51 6.042 1.024 4.356 1.00 0.00 C ATOM 718 CD1 LEU A 51 6.689 0.075 3.345 1.00 0.00 C ATOM 719 CD2 LEU A 51 5.701 2.380 3.733 1.00 0.00 C ATOM 0 H LEU A 51 3.897 -0.194 7.487 1.00 0.00 H new ATOM 0 HA LEU A 51 5.064 -1.694 5.188 1.00 0.00 H new ATOM 0 HB2 LEU A 51 4.115 0.106 4.197 1.00 0.00 H new ATOM 0 HB3 LEU A 51 4.303 1.142 5.598 1.00 0.00 H new ATOM 0 HG LEU A 51 6.776 1.206 5.142 1.00 0.00 H new ATOM 0 HD11 LEU A 51 7.566 0.552 2.907 1.00 0.00 H new ATOM 0 HD12 LEU A 51 6.990 -0.844 3.849 1.00 0.00 H new ATOM 0 HD13 LEU A 51 5.973 -0.161 2.558 1.00 0.00 H new ATOM 0 HD21 LEU A 51 6.597 2.811 3.287 1.00 0.00 H new ATOM 0 HD22 LEU A 51 4.941 2.246 2.963 1.00 0.00 H new ATOM 0 HD23 LEU A 51 5.321 3.050 4.505 1.00 0.00 H new ATOM 731 N ASN A 52 6.659 0.261 7.294 1.00 0.00 N ATOM 732 CA ASN A 52 7.909 0.414 8.019 1.00 0.00 C ATOM 733 C ASN A 52 7.609 0.794 9.471 1.00 0.00 C ATOM 734 O ASN A 52 7.758 1.953 9.856 1.00 0.00 O ATOM 735 CB ASN A 52 8.768 1.522 7.408 1.00 0.00 C ATOM 736 CG ASN A 52 9.668 0.971 6.301 1.00 0.00 C ATOM 737 OD1 ASN A 52 9.398 -0.055 5.699 1.00 0.00 O ATOM 738 ND2 ASN A 52 10.751 1.707 6.067 1.00 0.00 N ATOM 0 H ASN A 52 6.011 1.043 7.391 1.00 0.00 H new ATOM 0 HA ASN A 52 8.448 -0.532 7.964 1.00 0.00 H new ATOM 0 HB2 ASN A 52 8.125 2.304 7.003 1.00 0.00 H new ATOM 0 HB3 ASN A 52 9.380 1.982 8.184 1.00 0.00 H new ATOM 0 HD21 ASN A 52 11.415 1.423 5.347 1.00 0.00 H new ATOM 0 HD22 ASN A 52 10.917 2.556 6.608 1.00 0.00 H new ATOM 745 N GLY A 53 7.191 -0.204 10.236 1.00 0.00 N ATOM 746 CA GLY A 53 6.868 0.012 11.636 1.00 0.00 C ATOM 747 C GLY A 53 5.771 1.067 11.790 1.00 0.00 C ATOM 748 O GLY A 53 5.605 1.643 12.864 1.00 0.00 O ATOM 0 H GLY A 53 7.069 -1.164 9.913 1.00 0.00 H new ATOM 0 HA2 GLY A 53 6.541 -0.925 12.086 1.00 0.00 H new ATOM 0 HA3 GLY A 53 7.761 0.330 12.174 1.00 0.00 H new ATOM 752 N LYS A 54 5.051 1.289 10.700 1.00 0.00 N ATOM 753 CA LYS A 54 3.974 2.265 10.700 1.00 0.00 C ATOM 754 C LYS A 54 2.756 1.675 9.987 1.00 0.00 C ATOM 755 O LYS A 54 2.890 1.059 8.931 1.00 0.00 O ATOM 756 CB LYS A 54 4.453 3.591 10.105 1.00 0.00 C ATOM 757 CG LYS A 54 3.715 4.773 10.736 1.00 0.00 C ATOM 758 CD LYS A 54 4.082 6.084 10.037 1.00 0.00 C ATOM 759 CE LYS A 54 2.947 7.104 10.156 1.00 0.00 C ATOM 760 NZ LYS A 54 3.232 8.072 11.239 1.00 0.00 N ATOM 0 H LYS A 54 5.192 0.810 9.811 1.00 0.00 H new ATOM 0 HA LYS A 54 3.666 2.493 11.721 1.00 0.00 H new ATOM 0 HB2 LYS A 54 5.526 3.700 10.266 1.00 0.00 H new ATOM 0 HB3 LYS A 54 4.291 3.590 9.027 1.00 0.00 H new ATOM 0 HG2 LYS A 54 2.639 4.611 10.672 1.00 0.00 H new ATOM 0 HG3 LYS A 54 3.965 4.839 11.795 1.00 0.00 H new ATOM 0 HD2 LYS A 54 4.991 6.493 10.477 1.00 0.00 H new ATOM 0 HD3 LYS A 54 4.295 5.893 8.985 1.00 0.00 H new ATOM 0 HE2 LYS A 54 2.824 7.633 9.211 1.00 0.00 H new ATOM 0 HE3 LYS A 54 2.007 6.590 10.358 1.00 0.00 H new ATOM 0 HZ1 LYS A 54 2.452 8.757 11.306 1.00 0.00 H new ATOM 0 HZ2 LYS A 54 3.326 7.565 12.142 1.00 0.00 H new ATOM 0 HZ3 LYS A 54 4.118 8.575 11.030 1.00 0.00 H new ATOM 774 N THR A 55 1.597 1.885 10.592 1.00 0.00 N ATOM 775 CA THR A 55 0.356 1.381 10.028 1.00 0.00 C ATOM 776 C THR A 55 -0.512 2.539 9.531 1.00 0.00 C ATOM 777 O THR A 55 -0.503 3.622 10.114 1.00 0.00 O ATOM 778 CB THR A 55 -0.330 0.519 11.089 1.00 0.00 C ATOM 779 OG1 THR A 55 0.486 -0.646 11.171 1.00 0.00 O ATOM 780 CG2 THR A 55 -1.689 -0.010 10.624 1.00 0.00 C ATOM 0 H THR A 55 1.490 2.397 11.467 1.00 0.00 H new ATOM 0 HA THR A 55 0.543 0.757 9.154 1.00 0.00 H new ATOM 0 HB THR A 55 -0.460 1.101 12.001 1.00 0.00 H new ATOM 0 HG1 THR A 55 0.186 -1.303 10.509 1.00 0.00 H new ATOM 0 HG21 THR A 55 -2.133 -0.616 11.414 1.00 0.00 H new ATOM 0 HG22 THR A 55 -2.347 0.828 10.396 1.00 0.00 H new ATOM 0 HG23 THR A 55 -1.556 -0.620 9.731 1.00 0.00 H new ATOM 788 N GLY A 56 -1.242 2.271 8.458 1.00 0.00 N ATOM 789 CA GLY A 56 -2.114 3.277 7.875 1.00 0.00 C ATOM 790 C GLY A 56 -3.043 2.658 6.829 1.00 0.00 C ATOM 791 O GLY A 56 -3.195 1.438 6.773 1.00 0.00 O ATOM 0 H GLY A 56 -1.248 1.372 7.977 1.00 0.00 H new ATOM 0 HA2 GLY A 56 -2.706 3.748 8.659 1.00 0.00 H new ATOM 0 HA3 GLY A 56 -1.513 4.061 7.414 1.00 0.00 H new ATOM 795 N LEU A 57 -3.642 3.526 6.028 1.00 0.00 N ATOM 796 CA LEU A 57 -4.552 3.080 4.987 1.00 0.00 C ATOM 797 C LEU A 57 -3.766 2.840 3.696 1.00 0.00 C ATOM 798 O LEU A 57 -2.826 3.573 3.393 1.00 0.00 O ATOM 799 CB LEU A 57 -5.709 4.068 4.828 1.00 0.00 C ATOM 800 CG LEU A 57 -6.648 4.201 6.029 1.00 0.00 C ATOM 801 CD1 LEU A 57 -7.756 5.218 5.749 1.00 0.00 C ATOM 802 CD2 LEU A 57 -7.210 2.838 6.438 1.00 0.00 C ATOM 0 H LEU A 57 -3.515 4.537 6.079 1.00 0.00 H new ATOM 0 HA LEU A 57 -5.010 2.130 5.263 1.00 0.00 H new ATOM 0 HB2 LEU A 57 -5.293 5.051 4.607 1.00 0.00 H new ATOM 0 HB3 LEU A 57 -6.299 3.769 3.962 1.00 0.00 H new ATOM 0 HG LEU A 57 -6.072 4.578 6.874 1.00 0.00 H new ATOM 0 HD11 LEU A 57 -8.409 5.293 6.618 1.00 0.00 H new ATOM 0 HD12 LEU A 57 -7.312 6.192 5.543 1.00 0.00 H new ATOM 0 HD13 LEU A 57 -8.337 4.894 4.886 1.00 0.00 H new ATOM 0 HD21 LEU A 57 -7.874 2.960 7.294 1.00 0.00 H new ATOM 0 HD22 LEU A 57 -7.767 2.409 5.605 1.00 0.00 H new ATOM 0 HD23 LEU A 57 -6.390 2.172 6.707 1.00 0.00 H new ATOM 814 N ILE A 58 -4.181 1.812 2.971 1.00 0.00 N ATOM 815 CA ILE A 58 -3.528 1.467 1.720 1.00 0.00 C ATOM 816 C ILE A 58 -4.589 1.214 0.648 1.00 0.00 C ATOM 817 O ILE A 58 -5.607 0.577 0.915 1.00 0.00 O ATOM 818 CB ILE A 58 -2.567 0.293 1.923 1.00 0.00 C ATOM 819 CG1 ILE A 58 -1.611 0.562 3.086 1.00 0.00 C ATOM 820 CG2 ILE A 58 -1.819 -0.033 0.629 1.00 0.00 C ATOM 821 CD1 ILE A 58 -1.043 -0.745 3.643 1.00 0.00 C ATOM 0 H ILE A 58 -4.961 1.207 3.226 1.00 0.00 H new ATOM 0 HA ILE A 58 -2.913 2.296 1.371 1.00 0.00 H new ATOM 0 HB ILE A 58 -3.154 -0.587 2.186 1.00 0.00 H new ATOM 0 HG12 ILE A 58 -0.796 1.203 2.750 1.00 0.00 H new ATOM 0 HG13 ILE A 58 -2.136 1.100 3.875 1.00 0.00 H new ATOM 0 HG21 ILE A 58 -1.143 -0.871 0.801 1.00 0.00 H new ATOM 0 HG22 ILE A 58 -2.535 -0.298 -0.148 1.00 0.00 H new ATOM 0 HG23 ILE A 58 -1.245 0.837 0.311 1.00 0.00 H new ATOM 0 HD11 ILE A 58 -0.366 -0.525 4.469 1.00 0.00 H new ATOM 0 HD12 ILE A 58 -1.859 -1.373 4.000 1.00 0.00 H new ATOM 0 HD13 ILE A 58 -0.498 -1.269 2.858 1.00 0.00 H new ATOM 833 N PRO A 59 -4.309 1.741 -0.575 1.00 0.00 N ATOM 834 CA PRO A 59 -5.228 1.579 -1.688 1.00 0.00 C ATOM 835 C PRO A 59 -5.165 0.156 -2.248 1.00 0.00 C ATOM 836 O PRO A 59 -4.208 -0.205 -2.930 1.00 0.00 O ATOM 837 CB PRO A 59 -4.810 2.634 -2.700 1.00 0.00 C ATOM 838 CG PRO A 59 -3.393 3.035 -2.323 1.00 0.00 C ATOM 839 CD PRO A 59 -3.113 2.501 -0.927 1.00 0.00 C ATOM 0 HA PRO A 59 -6.270 1.716 -1.397 1.00 0.00 H new ATOM 0 HB2 PRO A 59 -4.847 2.238 -3.715 1.00 0.00 H new ATOM 0 HB3 PRO A 59 -5.480 3.493 -2.668 1.00 0.00 H new ATOM 0 HG2 PRO A 59 -2.678 2.628 -3.038 1.00 0.00 H new ATOM 0 HG3 PRO A 59 -3.284 4.119 -2.346 1.00 0.00 H new ATOM 0 HD2 PRO A 59 -2.225 1.870 -0.915 1.00 0.00 H new ATOM 0 HD3 PRO A 59 -2.937 3.312 -0.221 1.00 0.00 H new ATOM 847 N GLU A 60 -6.199 -0.613 -1.939 1.00 0.00 N ATOM 848 CA GLU A 60 -6.274 -1.988 -2.403 1.00 0.00 C ATOM 849 C GLU A 60 -6.108 -2.045 -3.923 1.00 0.00 C ATOM 850 O GLU A 60 -5.753 -3.086 -4.473 1.00 0.00 O ATOM 851 CB GLU A 60 -7.587 -2.642 -1.970 1.00 0.00 C ATOM 852 CG GLU A 60 -8.355 -3.182 -3.177 1.00 0.00 C ATOM 853 CD GLU A 60 -9.590 -3.970 -2.735 1.00 0.00 C ATOM 854 OE1 GLU A 60 -10.497 -3.329 -2.161 1.00 0.00 O ATOM 855 OE2 GLU A 60 -9.599 -5.196 -2.980 1.00 0.00 O ATOM 0 H GLU A 60 -6.992 -0.310 -1.373 1.00 0.00 H new ATOM 0 HA GLU A 60 -5.459 -2.550 -1.947 1.00 0.00 H new ATOM 0 HB2 GLU A 60 -7.380 -3.454 -1.273 1.00 0.00 H new ATOM 0 HB3 GLU A 60 -8.202 -1.915 -1.439 1.00 0.00 H new ATOM 0 HG2 GLU A 60 -8.658 -2.355 -3.819 1.00 0.00 H new ATOM 0 HG3 GLU A 60 -7.703 -3.824 -3.770 1.00 0.00 H new ATOM 862 N ASN A 61 -6.373 -0.913 -4.558 1.00 0.00 N ATOM 863 CA ASN A 61 -6.258 -0.822 -6.003 1.00 0.00 C ATOM 864 C ASN A 61 -4.825 -0.432 -6.373 1.00 0.00 C ATOM 865 O ASN A 61 -4.561 -0.018 -7.501 1.00 0.00 O ATOM 866 CB ASN A 61 -7.198 0.248 -6.564 1.00 0.00 C ATOM 867 CG ASN A 61 -7.053 1.563 -5.796 1.00 0.00 C ATOM 868 OD1 ASN A 61 -7.520 1.713 -4.679 1.00 0.00 O ATOM 869 ND2 ASN A 61 -6.381 2.503 -6.454 1.00 0.00 N ATOM 0 H ASN A 61 -6.667 -0.051 -4.098 1.00 0.00 H new ATOM 0 HA ASN A 61 -6.523 -1.792 -6.424 1.00 0.00 H new ATOM 0 HB2 ASN A 61 -6.979 0.413 -7.619 1.00 0.00 H new ATOM 0 HB3 ASN A 61 -8.229 -0.101 -6.504 1.00 0.00 H new ATOM 0 HD21 ASN A 61 -6.230 3.416 -6.026 1.00 0.00 H new ATOM 0 HD22 ASN A 61 -6.017 2.311 -7.387 1.00 0.00 H new ATOM 876 N TYR A 62 -3.937 -0.579 -5.401 1.00 0.00 N ATOM 877 CA TYR A 62 -2.537 -0.248 -5.609 1.00 0.00 C ATOM 878 C TYR A 62 -1.625 -1.311 -4.995 1.00 0.00 C ATOM 879 O TYR A 62 -0.413 -1.118 -4.906 1.00 0.00 O ATOM 880 CB TYR A 62 -2.307 1.083 -4.890 1.00 0.00 C ATOM 881 CG TYR A 62 -1.995 2.251 -5.827 1.00 0.00 C ATOM 882 CD1 TYR A 62 -2.856 2.556 -6.861 1.00 0.00 C ATOM 883 CD2 TYR A 62 -0.851 3.000 -5.639 1.00 0.00 C ATOM 884 CE1 TYR A 62 -2.562 3.655 -7.744 1.00 0.00 C ATOM 885 CE2 TYR A 62 -0.557 4.100 -6.521 1.00 0.00 C ATOM 886 CZ TYR A 62 -1.427 4.373 -7.530 1.00 0.00 C ATOM 887 OH TYR A 62 -1.150 5.411 -8.363 1.00 0.00 O ATOM 0 H TYR A 62 -4.160 -0.923 -4.467 1.00 0.00 H new ATOM 0 HA TYR A 62 -2.310 -0.192 -6.674 1.00 0.00 H new ATOM 0 HB2 TYR A 62 -3.194 1.327 -4.306 1.00 0.00 H new ATOM 0 HB3 TYR A 62 -1.484 0.966 -4.185 1.00 0.00 H new ATOM 0 HD1 TYR A 62 -3.751 1.970 -7.008 1.00 0.00 H new ATOM 0 HD2 TYR A 62 -0.176 2.761 -4.830 1.00 0.00 H new ATOM 0 HE1 TYR A 62 -3.228 3.903 -8.557 1.00 0.00 H new ATOM 0 HE2 TYR A 62 0.334 4.695 -6.384 1.00 0.00 H new ATOM 0 HH TYR A 62 -0.309 5.834 -8.090 1.00 0.00 H new ATOM 897 N VAL A 63 -2.242 -2.410 -4.586 1.00 0.00 N ATOM 898 CA VAL A 63 -1.500 -3.504 -3.982 1.00 0.00 C ATOM 899 C VAL A 63 -1.883 -4.815 -4.671 1.00 0.00 C ATOM 900 O VAL A 63 -2.842 -4.860 -5.440 1.00 0.00 O ATOM 901 CB VAL A 63 -1.742 -3.529 -2.472 1.00 0.00 C ATOM 902 CG1 VAL A 63 -1.009 -2.378 -1.780 1.00 0.00 C ATOM 903 CG2 VAL A 63 -3.239 -3.496 -2.156 1.00 0.00 C ATOM 0 H VAL A 63 -3.247 -2.566 -4.661 1.00 0.00 H new ATOM 0 HA VAL A 63 -0.428 -3.363 -4.123 1.00 0.00 H new ATOM 0 HB VAL A 63 -1.339 -4.464 -2.083 1.00 0.00 H new ATOM 0 HG11 VAL A 63 -1.198 -2.419 -0.707 1.00 0.00 H new ATOM 0 HG12 VAL A 63 0.062 -2.466 -1.964 1.00 0.00 H new ATOM 0 HG13 VAL A 63 -1.368 -1.428 -2.176 1.00 0.00 H new ATOM 0 HG21 VAL A 63 -3.383 -3.515 -1.076 1.00 0.00 H new ATOM 0 HG22 VAL A 63 -3.677 -2.586 -2.565 1.00 0.00 H new ATOM 0 HG23 VAL A 63 -3.724 -4.364 -2.602 1.00 0.00 H new ATOM 913 N GLU A 64 -1.113 -5.851 -4.371 1.00 0.00 N ATOM 914 CA GLU A 64 -1.360 -7.160 -4.951 1.00 0.00 C ATOM 915 C GLU A 64 -0.973 -8.261 -3.962 1.00 0.00 C ATOM 916 O GLU A 64 0.172 -8.711 -3.944 1.00 0.00 O ATOM 917 CB GLU A 64 -0.608 -7.323 -6.274 1.00 0.00 C ATOM 918 CG GLU A 64 -0.440 -8.802 -6.631 1.00 0.00 C ATOM 919 CD GLU A 64 -0.663 -9.034 -8.127 1.00 0.00 C ATOM 920 OE1 GLU A 64 -0.211 -8.170 -8.908 1.00 0.00 O ATOM 921 OE2 GLU A 64 -1.281 -10.070 -8.454 1.00 0.00 O ATOM 0 H GLU A 64 -0.318 -5.810 -3.734 1.00 0.00 H new ATOM 0 HA GLU A 64 -2.426 -7.247 -5.162 1.00 0.00 H new ATOM 0 HB2 GLU A 64 -1.150 -6.812 -7.070 1.00 0.00 H new ATOM 0 HB3 GLU A 64 0.371 -6.849 -6.201 1.00 0.00 H new ATOM 0 HG2 GLU A 64 0.560 -9.136 -6.353 1.00 0.00 H new ATOM 0 HG3 GLU A 64 -1.147 -9.401 -6.057 1.00 0.00 H new ATOM 928 N PHE A 65 -1.950 -8.663 -3.162 1.00 0.00 N ATOM 929 CA PHE A 65 -1.726 -9.703 -2.172 1.00 0.00 C ATOM 930 C PHE A 65 -0.846 -10.820 -2.739 1.00 0.00 C ATOM 931 O PHE A 65 -0.991 -11.201 -3.899 1.00 0.00 O ATOM 932 CB PHE A 65 -3.096 -10.282 -1.814 1.00 0.00 C ATOM 933 CG PHE A 65 -3.904 -9.415 -0.845 1.00 0.00 C ATOM 934 CD1 PHE A 65 -3.759 -9.580 0.497 1.00 0.00 C ATOM 935 CD2 PHE A 65 -4.766 -8.480 -1.327 1.00 0.00 C ATOM 936 CE1 PHE A 65 -4.509 -8.775 1.395 1.00 0.00 C ATOM 937 CE2 PHE A 65 -5.515 -7.676 -0.428 1.00 0.00 C ATOM 938 CZ PHE A 65 -5.371 -7.840 0.914 1.00 0.00 C ATOM 0 H PHE A 65 -2.898 -8.287 -3.179 1.00 0.00 H new ATOM 0 HA PHE A 65 -1.220 -9.285 -1.301 1.00 0.00 H new ATOM 0 HB2 PHE A 65 -3.672 -10.419 -2.729 1.00 0.00 H new ATOM 0 HB3 PHE A 65 -2.958 -11.269 -1.373 1.00 0.00 H new ATOM 0 HD1 PHE A 65 -3.074 -10.322 0.880 1.00 0.00 H new ATOM 0 HD2 PHE A 65 -4.881 -8.349 -2.393 1.00 0.00 H new ATOM 0 HE1 PHE A 65 -4.395 -8.906 2.461 1.00 0.00 H new ATOM 0 HE2 PHE A 65 -6.200 -6.934 -0.810 1.00 0.00 H new ATOM 0 HZ PHE A 65 -5.941 -7.228 1.597 1.00 0.00 H new ATOM 948 N LEU A 66 0.047 -11.313 -1.893 1.00 0.00 N ATOM 949 CA LEU A 66 0.949 -12.378 -2.295 1.00 0.00 C ATOM 950 C LEU A 66 0.433 -13.711 -1.750 1.00 0.00 C ATOM 951 O LEU A 66 -0.446 -13.735 -0.890 1.00 0.00 O ATOM 952 CB LEU A 66 2.383 -12.054 -1.871 1.00 0.00 C ATOM 953 CG LEU A 66 2.835 -10.608 -2.087 1.00 0.00 C ATOM 954 CD1 LEU A 66 3.360 -9.998 -0.785 1.00 0.00 C ATOM 955 CD2 LEU A 66 3.863 -10.517 -3.217 1.00 0.00 C ATOM 0 H LEU A 66 0.165 -10.994 -0.931 1.00 0.00 H new ATOM 0 HA LEU A 66 0.974 -12.466 -3.381 1.00 0.00 H new ATOM 0 HB2 LEU A 66 2.491 -12.294 -0.813 1.00 0.00 H new ATOM 0 HB3 LEU A 66 3.060 -12.711 -2.417 1.00 0.00 H new ATOM 0 HG LEU A 66 1.968 -10.021 -2.392 1.00 0.00 H new ATOM 0 HD11 LEU A 66 3.675 -8.970 -0.966 1.00 0.00 H new ATOM 0 HD12 LEU A 66 2.570 -10.009 -0.034 1.00 0.00 H new ATOM 0 HD13 LEU A 66 4.209 -10.580 -0.427 1.00 0.00 H new ATOM 0 HD21 LEU A 66 4.167 -9.479 -3.349 1.00 0.00 H new ATOM 0 HD22 LEU A 66 4.735 -11.121 -2.965 1.00 0.00 H new ATOM 0 HD23 LEU A 66 3.420 -10.886 -4.142 1.00 0.00 H new ATOM 967 N SER A 67 1.003 -14.788 -2.272 1.00 0.00 N ATOM 968 CA SER A 67 0.611 -16.121 -1.848 1.00 0.00 C ATOM 969 C SER A 67 -0.806 -16.430 -2.334 1.00 0.00 C ATOM 970 O SER A 67 -1.000 -17.303 -3.178 1.00 0.00 O ATOM 971 CB SER A 67 0.693 -16.262 -0.326 1.00 0.00 C ATOM 972 OG SER A 67 1.702 -17.186 0.071 1.00 0.00 O ATOM 0 H SER A 67 1.733 -14.764 -2.984 1.00 0.00 H new ATOM 0 HA SER A 67 1.304 -16.837 -2.290 1.00 0.00 H new ATOM 0 HB2 SER A 67 0.899 -15.288 0.118 1.00 0.00 H new ATOM 0 HB3 SER A 67 -0.272 -16.591 0.060 1.00 0.00 H new ATOM 0 HG SER A 67 1.724 -17.246 1.049 1.00 0.00 H new ATOM 978 N GLY A 68 -1.760 -15.696 -1.779 1.00 0.00 N ATOM 979 CA GLY A 68 -3.154 -15.881 -2.146 1.00 0.00 C ATOM 980 C GLY A 68 -3.848 -16.854 -1.191 1.00 0.00 C ATOM 981 O GLY A 68 -3.248 -17.309 -0.218 1.00 0.00 O ATOM 0 H GLY A 68 -1.595 -14.973 -1.079 1.00 0.00 H new ATOM 0 HA2 GLY A 68 -3.669 -14.920 -2.129 1.00 0.00 H new ATOM 0 HA3 GLY A 68 -3.218 -16.259 -3.166 1.00 0.00 H new ATOM 985 N PRO A 69 -5.136 -17.154 -1.511 1.00 0.00 N ATOM 986 CA PRO A 69 -5.917 -18.065 -0.692 1.00 0.00 C ATOM 987 C PRO A 69 -5.487 -19.515 -0.923 1.00 0.00 C ATOM 988 O PRO A 69 -5.238 -20.251 0.031 1.00 0.00 O ATOM 989 CB PRO A 69 -7.363 -17.805 -1.085 1.00 0.00 C ATOM 990 CG PRO A 69 -7.308 -17.097 -2.429 1.00 0.00 C ATOM 991 CD PRO A 69 -5.878 -16.634 -2.655 1.00 0.00 C ATOM 0 HA PRO A 69 -5.772 -17.901 0.376 1.00 0.00 H new ATOM 0 HB2 PRO A 69 -7.922 -18.738 -1.157 1.00 0.00 H new ATOM 0 HB3 PRO A 69 -7.866 -17.189 -0.339 1.00 0.00 H new ATOM 0 HG2 PRO A 69 -7.622 -17.769 -3.227 1.00 0.00 H new ATOM 0 HG3 PRO A 69 -7.991 -16.247 -2.441 1.00 0.00 H new ATOM 0 HD2 PRO A 69 -5.480 -17.020 -3.594 1.00 0.00 H new ATOM 0 HD3 PRO A 69 -5.817 -15.547 -2.706 1.00 0.00 H new ATOM 999 N SER A 70 -5.413 -19.882 -2.194 1.00 0.00 N ATOM 1000 CA SER A 70 -5.017 -21.231 -2.561 1.00 0.00 C ATOM 1001 C SER A 70 -4.626 -21.277 -4.040 1.00 0.00 C ATOM 1002 O SER A 70 -3.506 -21.655 -4.378 1.00 0.00 O ATOM 1003 CB SER A 70 -6.140 -22.231 -2.278 1.00 0.00 C ATOM 1004 OG SER A 70 -5.774 -23.560 -2.639 1.00 0.00 O ATOM 0 H SER A 70 -5.621 -19.269 -2.982 1.00 0.00 H new ATOM 0 HA SER A 70 -4.156 -21.512 -1.955 1.00 0.00 H new ATOM 0 HB2 SER A 70 -6.395 -22.200 -1.219 1.00 0.00 H new ATOM 0 HB3 SER A 70 -7.034 -21.938 -2.829 1.00 0.00 H new ATOM 0 HG SER A 70 -6.516 -24.169 -2.442 1.00 0.00 H new ATOM 1010 N SER A 71 -5.572 -20.886 -4.881 1.00 0.00 N ATOM 1011 CA SER A 71 -5.341 -20.878 -6.316 1.00 0.00 C ATOM 1012 C SER A 71 -4.747 -22.217 -6.758 1.00 0.00 C ATOM 1013 O SER A 71 -3.530 -22.358 -6.857 1.00 0.00 O ATOM 1014 CB SER A 71 -4.414 -19.729 -6.718 1.00 0.00 C ATOM 1015 OG SER A 71 -5.049 -18.460 -6.584 1.00 0.00 O ATOM 0 H SER A 71 -6.500 -20.572 -4.597 1.00 0.00 H new ATOM 0 HA SER A 71 -6.298 -20.729 -6.815 1.00 0.00 H new ATOM 0 HB2 SER A 71 -3.517 -19.753 -6.099 1.00 0.00 H new ATOM 0 HB3 SER A 71 -4.093 -19.867 -7.750 1.00 0.00 H new ATOM 0 HG SER A 71 -4.425 -17.752 -6.848 1.00 0.00 H new ATOM 1021 N GLY A 72 -5.636 -23.167 -7.011 1.00 0.00 N ATOM 1022 CA GLY A 72 -5.215 -24.490 -7.440 1.00 0.00 C ATOM 1023 C GLY A 72 -4.591 -25.270 -6.281 1.00 0.00 C ATOM 1024 O GLY A 72 -4.412 -24.730 -5.191 1.00 0.00 O ATOM 0 H GLY A 72 -6.645 -23.047 -6.927 1.00 0.00 H new ATOM 0 HA2 GLY A 72 -6.071 -25.038 -7.833 1.00 0.00 H new ATOM 0 HA3 GLY A 72 -4.494 -24.400 -8.253 1.00 0.00 H new TER 1028 GLY A 72