USER MOD reduce.3.24.130724 H: found=0, std=0, add=402, rem=0, adj=14 USER MOD reduce.3.24.130724 removed 400 hydrogens (0 hets) USER MOD ----------------------------------------------------------------- USER MOD scores for adjustable sidechains, with "set" totals for H,N and Q USER MOD "o" means original, "f" means flipped, "180deg" is methyl default USER MOD "!" flags a clash with an overlap of 0.40A or greater USER MOD flip categories: "K"=keep, "C"=clashes, "X"=uncertain, "F"=flip USER MOD NoAdj-H: A 18 HIS HE2 : A 18 HIS NE2 : A 181 ZNZN :(H bumps) USER MOD Single : A 1 GLY N :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 2 SER OG : rot 24:sc= 0.104 USER MOD Single : A 3 SER OG : rot 180:sc=-0.00349 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 TYR OH : rot 180:sc= 0 USER MOD Single : A 9 THR OG1 : rot 180:sc= -0.23 USER MOD Single : A 15 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 19 TYR OH : rot 180:sc= 0 USER MOD Single : A 21 LYS NZ :NH3+ -152:sc= -0.106 (180deg=-1.07) USER MOD Single : A 22 ASN : amide:sc= -1.61! C(o=-1.6!,f=-1.3!) USER MOD Single : A 25 THR OG1 : rot -61:sc= 1.31 USER MOD Single : A 26 ASN : amide:sc= -2.79! X(o=-2.8!,f=-3.1) USER MOD Single : A 29 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 30 ASN :FLIP amide:sc= -0.176 F(o=-1.1,f=-0.18) USER MOD Single : A 33 SER OG : rot 180:sc= 0 USER MOD Single : A 38 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 39 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 40 SER OG : rot 180:sc= 0 USER MOD Single : A 41 THR OG1 : rot 180:sc= 0 USER MOD Single : A 46 SER OG : rot 180:sc= 0 USER MOD Single : A 48 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Single : A 49 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Single : A 52 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 55 ASN : amide:sc= -1.8! C(o=-1.8!,f=-3.3!) USER MOD ----------------------------------------------------------------- ATOM 1 N GLY A 1 -16.713 2.299 14.281 1.00 0.00 N ATOM 2 CA GLY A 1 -16.480 3.581 13.641 1.00 0.00 C ATOM 3 C GLY A 1 -15.309 3.544 12.680 1.00 0.00 C ATOM 4 O GLY A 1 -14.415 4.389 12.747 1.00 0.00 O ATOM 0 H1 GLY A 1 -17.523 2.376 14.928 1.00 0.00 H new ATOM 0 H2 GLY A 1 -16.916 1.581 13.556 1.00 0.00 H new ATOM 0 H3 GLY A 1 -15.867 2.020 14.818 1.00 0.00 H new ATOM 0 HA2 GLY A 1 -17.378 3.884 13.103 1.00 0.00 H new ATOM 0 HA3 GLY A 1 -16.296 4.337 14.405 1.00 0.00 H new ATOM 8 N SER A 2 -15.311 2.563 11.784 1.00 0.00 N ATOM 9 CA SER A 2 -14.237 2.416 10.808 1.00 0.00 C ATOM 10 C SER A 2 -14.563 3.173 9.524 1.00 0.00 C ATOM 11 O SER A 2 -15.671 3.076 8.997 1.00 0.00 O ATOM 12 CB SER A 2 -14.002 0.937 10.495 1.00 0.00 C ATOM 13 OG SER A 2 -15.125 0.368 9.845 1.00 0.00 O ATOM 0 H SER A 2 -16.044 1.858 11.713 1.00 0.00 H new ATOM 0 HA SER A 2 -13.329 2.838 11.238 1.00 0.00 H new ATOM 0 HB2 SER A 2 -13.120 0.832 9.863 1.00 0.00 H new ATOM 0 HB3 SER A 2 -13.799 0.395 11.418 1.00 0.00 H new ATOM 0 HG SER A 2 -15.637 1.074 9.398 1.00 0.00 H new ATOM 19 N SER A 3 -13.588 3.928 9.026 1.00 0.00 N ATOM 20 CA SER A 3 -13.771 4.705 7.806 1.00 0.00 C ATOM 21 C SER A 3 -13.367 3.894 6.579 1.00 0.00 C ATOM 22 O SER A 3 -14.110 3.813 5.602 1.00 0.00 O ATOM 23 CB SER A 3 -12.951 5.996 7.871 1.00 0.00 C ATOM 24 OG SER A 3 -11.594 5.723 8.171 1.00 0.00 O ATOM 0 H SER A 3 -12.664 4.018 9.449 1.00 0.00 H new ATOM 0 HA SER A 3 -14.828 4.958 7.721 1.00 0.00 H new ATOM 0 HB2 SER A 3 -13.018 6.521 6.918 1.00 0.00 H new ATOM 0 HB3 SER A 3 -13.368 6.658 8.630 1.00 0.00 H new ATOM 0 HG SER A 3 -11.091 6.563 8.205 1.00 0.00 H new ATOM 30 N GLY A 4 -12.182 3.294 6.638 1.00 0.00 N ATOM 31 CA GLY A 4 -11.698 2.496 5.526 1.00 0.00 C ATOM 32 C GLY A 4 -10.672 3.232 4.688 1.00 0.00 C ATOM 33 O GLY A 4 -11.017 4.132 3.922 1.00 0.00 O ATOM 0 H GLY A 4 -11.549 3.346 7.436 1.00 0.00 H new ATOM 0 HA2 GLY A 4 -11.257 1.575 5.908 1.00 0.00 H new ATOM 0 HA3 GLY A 4 -12.539 2.209 4.895 1.00 0.00 H new ATOM 37 N SER A 5 -9.407 2.851 4.833 1.00 0.00 N ATOM 38 CA SER A 5 -8.327 3.485 4.087 1.00 0.00 C ATOM 39 C SER A 5 -8.510 3.281 2.586 1.00 0.00 C ATOM 40 O SER A 5 -8.567 4.243 1.821 1.00 0.00 O ATOM 41 CB SER A 5 -6.974 2.921 4.528 1.00 0.00 C ATOM 42 OG SER A 5 -5.925 3.830 4.242 1.00 0.00 O ATOM 0 H SER A 5 -9.105 2.106 5.461 1.00 0.00 H new ATOM 0 HA SER A 5 -8.353 4.554 4.297 1.00 0.00 H new ATOM 0 HB2 SER A 5 -6.995 2.710 5.597 1.00 0.00 H new ATOM 0 HB3 SER A 5 -6.788 1.975 4.020 1.00 0.00 H new ATOM 0 HG SER A 5 -5.072 3.447 4.535 1.00 0.00 H new ATOM 48 N SER A 6 -8.603 2.021 2.174 1.00 0.00 N ATOM 49 CA SER A 6 -8.776 1.689 0.764 1.00 0.00 C ATOM 50 C SER A 6 -10.255 1.645 0.395 1.00 0.00 C ATOM 51 O SER A 6 -10.703 2.354 -0.506 1.00 0.00 O ATOM 52 CB SER A 6 -8.121 0.343 0.451 1.00 0.00 C ATOM 53 OG SER A 6 -8.216 0.037 -0.929 1.00 0.00 O ATOM 0 H SER A 6 -8.562 1.213 2.796 1.00 0.00 H new ATOM 0 HA SER A 6 -8.294 2.466 0.171 1.00 0.00 H new ATOM 0 HB2 SER A 6 -7.073 0.367 0.750 1.00 0.00 H new ATOM 0 HB3 SER A 6 -8.601 -0.443 1.035 1.00 0.00 H new ATOM 0 HG SER A 6 -7.788 -0.827 -1.103 1.00 0.00 H new ATOM 59 N GLY A 7 -11.010 0.806 1.097 1.00 0.00 N ATOM 60 CA GLY A 7 -12.431 0.684 0.829 1.00 0.00 C ATOM 61 C GLY A 7 -12.886 -0.760 0.756 1.00 0.00 C ATOM 62 O GLY A 7 -13.549 -1.256 1.667 1.00 0.00 O ATOM 0 H GLY A 7 -10.663 0.208 1.847 1.00 0.00 H new ATOM 0 HA2 GLY A 7 -12.990 1.199 1.610 1.00 0.00 H new ATOM 0 HA3 GLY A 7 -12.664 1.183 -0.112 1.00 0.00 H new ATOM 66 N TYR A 8 -12.530 -1.436 -0.330 1.00 0.00 N ATOM 67 CA TYR A 8 -12.909 -2.831 -0.521 1.00 0.00 C ATOM 68 C TYR A 8 -12.059 -3.483 -1.607 1.00 0.00 C ATOM 69 O TYR A 8 -11.314 -2.809 -2.318 1.00 0.00 O ATOM 70 CB TYR A 8 -14.391 -2.933 -0.888 1.00 0.00 C ATOM 71 CG TYR A 8 -14.655 -2.842 -2.374 1.00 0.00 C ATOM 72 CD1 TYR A 8 -14.491 -3.950 -3.197 1.00 0.00 C ATOM 73 CD2 TYR A 8 -15.066 -1.649 -2.955 1.00 0.00 C ATOM 74 CE1 TYR A 8 -14.730 -3.871 -4.555 1.00 0.00 C ATOM 75 CE2 TYR A 8 -15.309 -1.562 -4.312 1.00 0.00 C ATOM 76 CZ TYR A 8 -15.139 -2.676 -5.108 1.00 0.00 C ATOM 77 OH TYR A 8 -15.379 -2.593 -6.461 1.00 0.00 O ATOM 0 H TYR A 8 -11.979 -1.041 -1.092 1.00 0.00 H new ATOM 0 HA TYR A 8 -12.736 -3.359 0.417 1.00 0.00 H new ATOM 0 HB2 TYR A 8 -14.785 -3.878 -0.515 1.00 0.00 H new ATOM 0 HB3 TYR A 8 -14.938 -2.138 -0.381 1.00 0.00 H new ATOM 0 HD1 TYR A 8 -14.171 -4.888 -2.768 1.00 0.00 H new ATOM 0 HD2 TYR A 8 -15.198 -0.775 -2.335 1.00 0.00 H new ATOM 0 HE1 TYR A 8 -14.597 -4.741 -5.181 1.00 0.00 H new ATOM 0 HE2 TYR A 8 -15.630 -0.627 -4.747 1.00 0.00 H new ATOM 0 HH TYR A 8 -15.661 -1.682 -6.688 1.00 0.00 H new ATOM 87 N THR A 9 -12.177 -4.802 -1.729 1.00 0.00 N ATOM 88 CA THR A 9 -11.420 -5.547 -2.727 1.00 0.00 C ATOM 89 C THR A 9 -12.133 -6.840 -3.105 1.00 0.00 C ATOM 90 O THR A 9 -12.883 -7.404 -2.307 1.00 0.00 O ATOM 91 CB THR A 9 -10.004 -5.884 -2.222 1.00 0.00 C ATOM 92 OG1 THR A 9 -9.384 -4.711 -1.685 1.00 0.00 O ATOM 93 CG2 THR A 9 -9.148 -6.447 -3.347 1.00 0.00 C ATOM 0 H THR A 9 -12.789 -5.376 -1.149 1.00 0.00 H new ATOM 0 HA THR A 9 -11.342 -4.908 -3.606 1.00 0.00 H new ATOM 0 HB THR A 9 -10.091 -6.639 -1.440 1.00 0.00 H new ATOM 0 HG1 THR A 9 -8.485 -4.934 -1.365 1.00 0.00 H new ATOM 0 HG21 THR A 9 -8.153 -6.677 -2.967 1.00 0.00 H new ATOM 0 HG22 THR A 9 -9.608 -7.356 -3.734 1.00 0.00 H new ATOM 0 HG23 THR A 9 -9.069 -5.711 -4.147 1.00 0.00 H new ATOM 101 N CYS A 10 -11.896 -7.306 -4.327 1.00 0.00 N ATOM 102 CA CYS A 10 -12.516 -8.533 -4.812 1.00 0.00 C ATOM 103 C CYS A 10 -12.293 -9.680 -3.830 1.00 0.00 C ATOM 104 O CYS A 10 -11.175 -10.173 -3.678 1.00 0.00 O ATOM 105 CB CYS A 10 -11.952 -8.906 -6.184 1.00 0.00 C ATOM 106 SG CYS A 10 -12.595 -10.475 -6.851 1.00 0.00 S ATOM 0 H CYS A 10 -11.278 -6.852 -5.000 1.00 0.00 H new ATOM 0 HA CYS A 10 -13.588 -8.358 -4.902 1.00 0.00 H new ATOM 0 HB2 CYS A 10 -12.178 -8.105 -6.888 1.00 0.00 H new ATOM 0 HB3 CYS A 10 -10.866 -8.972 -6.113 1.00 0.00 H new ATOM 111 N PHE A 11 -13.364 -10.099 -3.165 1.00 0.00 N ATOM 112 CA PHE A 11 -13.286 -11.187 -2.197 1.00 0.00 C ATOM 113 C PHE A 11 -13.139 -12.533 -2.901 1.00 0.00 C ATOM 114 O PHE A 11 -13.014 -13.573 -2.255 1.00 0.00 O ATOM 115 CB PHE A 11 -14.532 -11.198 -1.308 1.00 0.00 C ATOM 116 CG PHE A 11 -14.441 -12.162 -0.160 1.00 0.00 C ATOM 117 CD1 PHE A 11 -13.508 -11.973 0.847 1.00 0.00 C ATOM 118 CD2 PHE A 11 -15.288 -13.255 -0.087 1.00 0.00 C ATOM 119 CE1 PHE A 11 -13.421 -12.859 1.904 1.00 0.00 C ATOM 120 CE2 PHE A 11 -15.207 -14.144 0.968 1.00 0.00 C ATOM 121 CZ PHE A 11 -14.273 -13.945 1.966 1.00 0.00 C ATOM 0 H PHE A 11 -14.297 -9.702 -3.279 1.00 0.00 H new ATOM 0 HA PHE A 11 -12.406 -11.024 -1.576 1.00 0.00 H new ATOM 0 HB2 PHE A 11 -14.698 -10.194 -0.917 1.00 0.00 H new ATOM 0 HB3 PHE A 11 -15.400 -11.451 -1.916 1.00 0.00 H new ATOM 0 HD1 PHE A 11 -12.842 -11.124 0.805 1.00 0.00 H new ATOM 0 HD2 PHE A 11 -16.021 -13.415 -0.864 1.00 0.00 H new ATOM 0 HE1 PHE A 11 -12.687 -12.703 2.681 1.00 0.00 H new ATOM 0 HE2 PHE A 11 -15.873 -14.993 1.012 1.00 0.00 H new ATOM 0 HZ PHE A 11 -14.209 -14.637 2.793 1.00 0.00 H new ATOM 131 N ARG A 12 -13.154 -12.503 -4.230 1.00 0.00 N ATOM 132 CA ARG A 12 -13.024 -13.720 -5.023 1.00 0.00 C ATOM 133 C ARG A 12 -11.562 -14.140 -5.138 1.00 0.00 C ATOM 134 O ARG A 12 -11.153 -15.163 -4.587 1.00 0.00 O ATOM 135 CB ARG A 12 -13.617 -13.511 -6.417 1.00 0.00 C ATOM 136 CG ARG A 12 -14.063 -14.799 -7.089 1.00 0.00 C ATOM 137 CD ARG A 12 -14.904 -14.521 -8.325 1.00 0.00 C ATOM 138 NE ARG A 12 -14.946 -15.668 -9.228 1.00 0.00 N ATOM 139 CZ ARG A 12 -15.572 -16.804 -8.945 1.00 0.00 C ATOM 140 NH1 ARG A 12 -16.207 -16.945 -7.789 1.00 0.00 N ATOM 141 NH2 ARG A 12 -15.565 -17.803 -9.818 1.00 0.00 N ATOM 0 H ARG A 12 -13.255 -11.650 -4.780 1.00 0.00 H new ATOM 0 HA ARG A 12 -13.573 -14.514 -4.517 1.00 0.00 H new ATOM 0 HB2 ARG A 12 -14.470 -12.836 -6.342 1.00 0.00 H new ATOM 0 HB3 ARG A 12 -12.876 -13.020 -7.048 1.00 0.00 H new ATOM 0 HG2 ARG A 12 -13.188 -15.387 -7.368 1.00 0.00 H new ATOM 0 HG3 ARG A 12 -14.638 -15.398 -6.383 1.00 0.00 H new ATOM 0 HD2 ARG A 12 -15.918 -14.261 -8.022 1.00 0.00 H new ATOM 0 HD3 ARG A 12 -14.498 -13.658 -8.853 1.00 0.00 H new ATOM 0 HE ARG A 12 -14.468 -15.592 -10.126 1.00 0.00 H new ATOM 0 HH11 ARG A 12 -16.215 -16.180 -7.115 1.00 0.00 H new ATOM 0 HH12 ARG A 12 -16.687 -17.819 -7.574 1.00 0.00 H new ATOM 0 HH21 ARG A 12 -15.078 -17.699 -10.708 1.00 0.00 H new ATOM 0 HH22 ARG A 12 -16.046 -18.675 -9.599 1.00 0.00 H new ATOM 155 N CYS A 13 -10.778 -13.344 -5.857 1.00 0.00 N ATOM 156 CA CYS A 13 -9.361 -13.633 -6.046 1.00 0.00 C ATOM 157 C CYS A 13 -8.507 -12.829 -5.070 1.00 0.00 C ATOM 158 O CYS A 13 -7.418 -13.253 -4.686 1.00 0.00 O ATOM 159 CB CYS A 13 -8.943 -13.320 -7.484 1.00 0.00 C ATOM 160 SG CYS A 13 -8.996 -11.548 -7.905 1.00 0.00 S ATOM 0 H CYS A 13 -11.100 -12.493 -6.319 1.00 0.00 H new ATOM 0 HA CYS A 13 -9.203 -14.694 -5.851 1.00 0.00 H new ATOM 0 HB2 CYS A 13 -7.931 -13.691 -7.646 1.00 0.00 H new ATOM 0 HB3 CYS A 13 -9.595 -13.864 -8.167 1.00 0.00 H new ATOM 165 N GLY A 14 -9.011 -11.664 -4.672 1.00 0.00 N ATOM 166 CA GLY A 14 -8.282 -10.819 -3.744 1.00 0.00 C ATOM 167 C GLY A 14 -7.505 -9.723 -4.446 1.00 0.00 C ATOM 168 O GLY A 14 -6.388 -9.392 -4.049 1.00 0.00 O ATOM 0 H GLY A 14 -9.910 -11.291 -4.976 1.00 0.00 H new ATOM 0 HA2 GLY A 14 -8.982 -10.370 -3.040 1.00 0.00 H new ATOM 0 HA3 GLY A 14 -7.594 -11.432 -3.162 1.00 0.00 H new ATOM 172 N LYS A 15 -8.097 -9.158 -5.493 1.00 0.00 N ATOM 173 CA LYS A 15 -7.454 -8.093 -6.253 1.00 0.00 C ATOM 174 C LYS A 15 -8.369 -6.877 -6.366 1.00 0.00 C ATOM 175 O LYS A 15 -9.546 -6.986 -6.709 1.00 0.00 O ATOM 176 CB LYS A 15 -7.076 -8.591 -7.650 1.00 0.00 C ATOM 177 CG LYS A 15 -5.925 -9.582 -7.651 1.00 0.00 C ATOM 178 CD LYS A 15 -4.585 -8.880 -7.789 1.00 0.00 C ATOM 179 CE LYS A 15 -4.183 -8.728 -9.249 1.00 0.00 C ATOM 180 NZ LYS A 15 -2.730 -8.441 -9.397 1.00 0.00 N ATOM 0 H LYS A 15 -9.022 -9.420 -5.835 1.00 0.00 H new ATOM 0 HA LYS A 15 -6.549 -7.798 -5.722 1.00 0.00 H new ATOM 0 HB2 LYS A 15 -7.948 -9.059 -8.108 1.00 0.00 H new ATOM 0 HB3 LYS A 15 -6.809 -7.736 -8.272 1.00 0.00 H new ATOM 0 HG2 LYS A 15 -5.941 -10.160 -6.727 1.00 0.00 H new ATOM 0 HG3 LYS A 15 -6.053 -10.289 -8.471 1.00 0.00 H new ATOM 0 HD2 LYS A 15 -4.638 -7.897 -7.321 1.00 0.00 H new ATOM 0 HD3 LYS A 15 -3.820 -9.446 -7.257 1.00 0.00 H new ATOM 0 HE2 LYS A 15 -4.430 -9.641 -9.791 1.00 0.00 H new ATOM 0 HE3 LYS A 15 -4.760 -7.922 -9.703 1.00 0.00 H new ATOM 0 HZ1 LYS A 15 -2.496 -8.344 -10.406 1.00 0.00 H new ATOM 0 HZ2 LYS A 15 -2.499 -7.556 -8.902 1.00 0.00 H new ATOM 0 HZ3 LYS A 15 -2.178 -9.222 -8.987 1.00 0.00 H new ATOM 194 N PRO A 16 -7.816 -5.691 -6.072 1.00 0.00 N ATOM 195 CA PRO A 16 -8.564 -4.432 -6.136 1.00 0.00 C ATOM 196 C PRO A 16 -8.903 -4.030 -7.567 1.00 0.00 C ATOM 197 O PRO A 16 -8.587 -4.748 -8.515 1.00 0.00 O ATOM 198 CB PRO A 16 -7.605 -3.417 -5.508 1.00 0.00 C ATOM 199 CG PRO A 16 -6.248 -3.995 -5.725 1.00 0.00 C ATOM 200 CD PRO A 16 -6.418 -5.487 -5.657 1.00 0.00 C ATOM 0 HA PRO A 16 -9.525 -4.503 -5.626 1.00 0.00 H new ATOM 0 HB2 PRO A 16 -7.699 -2.439 -5.980 1.00 0.00 H new ATOM 0 HB3 PRO A 16 -7.812 -3.280 -4.447 1.00 0.00 H new ATOM 0 HG2 PRO A 16 -5.845 -3.692 -6.691 1.00 0.00 H new ATOM 0 HG3 PRO A 16 -5.549 -3.647 -4.964 1.00 0.00 H new ATOM 0 HD2 PRO A 16 -5.723 -6.001 -6.321 1.00 0.00 H new ATOM 0 HD3 PRO A 16 -6.238 -5.866 -4.651 1.00 0.00 H new ATOM 208 N GLY A 17 -9.548 -2.877 -7.717 1.00 0.00 N ATOM 209 CA GLY A 17 -9.919 -2.400 -9.036 1.00 0.00 C ATOM 210 C GLY A 17 -11.272 -2.919 -9.481 1.00 0.00 C ATOM 211 O GLY A 17 -12.010 -2.227 -10.184 1.00 0.00 O ATOM 0 H GLY A 17 -9.820 -2.265 -6.948 1.00 0.00 H new ATOM 0 HA2 GLY A 17 -9.934 -1.310 -9.034 1.00 0.00 H new ATOM 0 HA3 GLY A 17 -9.161 -2.707 -9.756 1.00 0.00 H new ATOM 215 N HIS A 18 -11.599 -4.141 -9.074 1.00 0.00 N ATOM 216 CA HIS A 18 -12.872 -4.753 -9.436 1.00 0.00 C ATOM 217 C HIS A 18 -13.521 -5.415 -8.224 1.00 0.00 C ATOM 218 O HIS A 18 -12.942 -5.449 -7.139 1.00 0.00 O ATOM 219 CB HIS A 18 -12.669 -5.784 -10.547 1.00 0.00 C ATOM 220 CG HIS A 18 -11.875 -6.979 -10.118 1.00 0.00 C ATOM 221 ND1 HIS A 18 -10.498 -7.024 -10.165 1.00 0.00 N ATOM 222 CD2 HIS A 18 -12.272 -8.177 -9.628 1.00 0.00 C ATOM 223 CE1 HIS A 18 -10.082 -8.198 -9.726 1.00 0.00 C ATOM 224 NE2 HIS A 18 -11.140 -8.916 -9.393 1.00 0.00 N ATOM 0 H HIS A 18 -11.000 -4.727 -8.493 1.00 0.00 H new ATOM 0 HA HIS A 18 -13.535 -3.967 -9.797 1.00 0.00 H new ATOM 0 HB2 HIS A 18 -13.643 -6.115 -10.906 1.00 0.00 H new ATOM 0 HB3 HIS A 18 -12.165 -5.306 -11.387 1.00 0.00 H new ATOM 0 HD1 HIS A 18 -9.894 -6.268 -10.489 1.00 0.00 H new ATOM 0 HD2 HIS A 18 -13.290 -8.492 -9.454 1.00 0.00 H new ATOM 0 HE1 HIS A 18 -9.053 -8.517 -9.652 1.00 0.00 H new ATOM 232 N TYR A 19 -14.727 -5.938 -8.418 1.00 0.00 N ATOM 233 CA TYR A 19 -15.456 -6.596 -7.340 1.00 0.00 C ATOM 234 C TYR A 19 -15.664 -8.076 -7.647 1.00 0.00 C ATOM 235 O TYR A 19 -15.617 -8.494 -8.805 1.00 0.00 O ATOM 236 CB TYR A 19 -16.807 -5.914 -7.120 1.00 0.00 C ATOM 237 CG TYR A 19 -17.372 -5.273 -8.367 1.00 0.00 C ATOM 238 CD1 TYR A 19 -16.680 -4.267 -9.029 1.00 0.00 C ATOM 239 CD2 TYR A 19 -18.599 -5.673 -8.883 1.00 0.00 C ATOM 240 CE1 TYR A 19 -17.192 -3.678 -10.169 1.00 0.00 C ATOM 241 CE2 TYR A 19 -19.118 -5.090 -10.023 1.00 0.00 C ATOM 242 CZ TYR A 19 -18.412 -4.093 -10.662 1.00 0.00 C ATOM 243 OH TYR A 19 -18.926 -3.510 -11.797 1.00 0.00 O ATOM 0 H TYR A 19 -15.220 -5.919 -9.311 1.00 0.00 H new ATOM 0 HA TYR A 19 -14.862 -6.513 -6.430 1.00 0.00 H new ATOM 0 HB2 TYR A 19 -17.519 -6.649 -6.745 1.00 0.00 H new ATOM 0 HB3 TYR A 19 -16.699 -5.153 -6.347 1.00 0.00 H new ATOM 0 HD1 TYR A 19 -15.725 -3.939 -8.646 1.00 0.00 H new ATOM 0 HD2 TYR A 19 -19.156 -6.453 -8.385 1.00 0.00 H new ATOM 0 HE1 TYR A 19 -16.640 -2.897 -10.671 1.00 0.00 H new ATOM 0 HE2 TYR A 19 -20.072 -5.414 -10.412 1.00 0.00 H new ATOM 0 HH TYR A 19 -19.791 -3.917 -12.011 1.00 0.00 H new ATOM 253 N ILE A 20 -15.896 -8.863 -6.602 1.00 0.00 N ATOM 254 CA ILE A 20 -16.114 -10.296 -6.759 1.00 0.00 C ATOM 255 C ILE A 20 -17.140 -10.580 -7.851 1.00 0.00 C ATOM 256 O ILE A 20 -17.086 -11.615 -8.516 1.00 0.00 O ATOM 257 CB ILE A 20 -16.589 -10.941 -5.444 1.00 0.00 C ATOM 258 CG1 ILE A 20 -17.017 -12.390 -5.686 1.00 0.00 C ATOM 259 CG2 ILE A 20 -17.734 -10.138 -4.844 1.00 0.00 C ATOM 260 CD1 ILE A 20 -16.796 -13.293 -4.493 1.00 0.00 C ATOM 0 H ILE A 20 -15.938 -8.533 -5.638 1.00 0.00 H new ATOM 0 HA ILE A 20 -15.156 -10.731 -7.042 1.00 0.00 H new ATOM 0 HB ILE A 20 -15.760 -10.941 -4.736 1.00 0.00 H new ATOM 0 HG12 ILE A 20 -18.073 -12.408 -5.954 1.00 0.00 H new ATOM 0 HG13 ILE A 20 -16.465 -12.786 -6.538 1.00 0.00 H new ATOM 0 HG21 ILE A 20 -18.059 -10.606 -3.915 1.00 0.00 H new ATOM 0 HG22 ILE A 20 -17.398 -9.121 -4.640 1.00 0.00 H new ATOM 0 HG23 ILE A 20 -18.567 -10.110 -5.547 1.00 0.00 H new ATOM 0 HD11 ILE A 20 -17.122 -14.304 -4.737 1.00 0.00 H new ATOM 0 HD12 ILE A 20 -15.737 -13.305 -4.237 1.00 0.00 H new ATOM 0 HD13 ILE A 20 -17.370 -12.922 -3.644 1.00 0.00 H new ATOM 272 N LYS A 21 -18.074 -9.652 -8.033 1.00 0.00 N ATOM 273 CA LYS A 21 -19.112 -9.799 -9.046 1.00 0.00 C ATOM 274 C LYS A 21 -18.571 -9.460 -10.432 1.00 0.00 C ATOM 275 O LYS A 21 -18.960 -10.071 -11.426 1.00 0.00 O ATOM 276 CB LYS A 21 -20.305 -8.899 -8.718 1.00 0.00 C ATOM 277 CG LYS A 21 -20.485 -8.645 -7.232 1.00 0.00 C ATOM 278 CD LYS A 21 -21.845 -8.039 -6.930 1.00 0.00 C ATOM 279 CE LYS A 21 -22.892 -9.115 -6.682 1.00 0.00 C ATOM 280 NZ LYS A 21 -23.546 -9.553 -7.946 1.00 0.00 N ATOM 0 H LYS A 21 -18.133 -8.790 -7.491 1.00 0.00 H new ATOM 0 HA LYS A 21 -19.439 -10.839 -9.047 1.00 0.00 H new ATOM 0 HB2 LYS A 21 -20.180 -7.944 -9.229 1.00 0.00 H new ATOM 0 HB3 LYS A 21 -21.213 -9.355 -9.113 1.00 0.00 H new ATOM 0 HG2 LYS A 21 -20.374 -9.582 -6.686 1.00 0.00 H new ATOM 0 HG3 LYS A 21 -19.701 -7.975 -6.879 1.00 0.00 H new ATOM 0 HD2 LYS A 21 -21.771 -7.394 -6.055 1.00 0.00 H new ATOM 0 HD3 LYS A 21 -22.158 -7.411 -7.764 1.00 0.00 H new ATOM 0 HE2 LYS A 21 -22.424 -9.973 -6.199 1.00 0.00 H new ATOM 0 HE3 LYS A 21 -23.648 -8.735 -5.995 1.00 0.00 H new ATOM 0 HZ1 LYS A 21 -24.509 -9.887 -7.741 1.00 0.00 H new ATOM 0 HZ2 LYS A 21 -23.591 -8.753 -8.609 1.00 0.00 H new ATOM 0 HZ3 LYS A 21 -22.995 -10.325 -8.372 1.00 0.00 H new ATOM 294 N ASN A 22 -17.672 -8.483 -10.488 1.00 0.00 N ATOM 295 CA ASN A 22 -17.077 -8.064 -11.752 1.00 0.00 C ATOM 296 C ASN A 22 -15.687 -8.667 -11.926 1.00 0.00 C ATOM 297 O ASN A 22 -14.896 -8.205 -12.750 1.00 0.00 O ATOM 298 CB ASN A 22 -16.996 -6.537 -11.820 1.00 0.00 C ATOM 299 CG ASN A 22 -16.234 -6.052 -13.038 1.00 0.00 C ATOM 300 OD1 ASN A 22 -16.562 -6.405 -14.171 1.00 0.00 O ATOM 301 ND2 ASN A 22 -15.209 -5.240 -12.809 1.00 0.00 N ATOM 0 H ASN A 22 -17.340 -7.967 -9.673 1.00 0.00 H new ATOM 0 HA ASN A 22 -17.713 -8.424 -12.561 1.00 0.00 H new ATOM 0 HB2 ASN A 22 -18.004 -6.123 -11.837 1.00 0.00 H new ATOM 0 HB3 ASN A 22 -16.512 -6.161 -10.919 1.00 0.00 H new ATOM 0 HD21 ASN A 22 -14.657 -4.882 -13.589 1.00 0.00 H new ATOM 0 HD22 ASN A 22 -14.973 -4.974 -11.853 1.00 0.00 H new ATOM 308 N CYS A 23 -15.394 -9.701 -11.144 1.00 0.00 N ATOM 309 CA CYS A 23 -14.100 -10.368 -11.210 1.00 0.00 C ATOM 310 C CYS A 23 -13.951 -11.137 -12.520 1.00 0.00 C ATOM 311 O CYS A 23 -14.861 -11.838 -12.964 1.00 0.00 O ATOM 312 CB CYS A 23 -13.933 -11.320 -10.025 1.00 0.00 C ATOM 313 SG CYS A 23 -12.319 -12.164 -9.971 1.00 0.00 S ATOM 0 H CYS A 23 -16.036 -10.095 -10.457 1.00 0.00 H new ATOM 0 HA CYS A 23 -13.323 -9.605 -11.167 1.00 0.00 H new ATOM 0 HB2 CYS A 23 -14.069 -10.759 -9.100 1.00 0.00 H new ATOM 0 HB3 CYS A 23 -14.723 -12.071 -10.062 1.00 0.00 H new ATOM 318 N PRO A 24 -12.776 -11.005 -13.153 1.00 0.00 N ATOM 319 CA PRO A 24 -12.479 -11.681 -14.419 1.00 0.00 C ATOM 320 C PRO A 24 -12.330 -13.189 -14.251 1.00 0.00 C ATOM 321 O PRO A 24 -12.910 -13.969 -15.007 1.00 0.00 O ATOM 322 CB PRO A 24 -11.149 -11.057 -14.851 1.00 0.00 C ATOM 323 CG PRO A 24 -10.516 -10.600 -13.582 1.00 0.00 C ATOM 324 CD PRO A 24 -11.646 -10.187 -12.681 1.00 0.00 C ATOM 0 HA PRO A 24 -13.281 -11.555 -15.146 1.00 0.00 H new ATOM 0 HB2 PRO A 24 -10.521 -11.782 -15.368 1.00 0.00 H new ATOM 0 HB3 PRO A 24 -11.306 -10.225 -15.537 1.00 0.00 H new ATOM 0 HG2 PRO A 24 -9.928 -11.399 -13.130 1.00 0.00 H new ATOM 0 HG3 PRO A 24 -9.837 -9.767 -13.763 1.00 0.00 H new ATOM 0 HD2 PRO A 24 -11.417 -10.384 -11.634 1.00 0.00 H new ATOM 0 HD3 PRO A 24 -11.858 -9.121 -12.766 1.00 0.00 H new ATOM 332 N THR A 25 -11.549 -13.595 -13.254 1.00 0.00 N ATOM 333 CA THR A 25 -11.324 -15.010 -12.987 1.00 0.00 C ATOM 334 C THR A 25 -12.579 -15.828 -13.266 1.00 0.00 C ATOM 335 O THR A 25 -12.504 -16.935 -13.797 1.00 0.00 O ATOM 336 CB THR A 25 -10.886 -15.243 -11.529 1.00 0.00 C ATOM 337 OG1 THR A 25 -11.989 -15.019 -10.644 1.00 0.00 O ATOM 338 CG2 THR A 25 -9.734 -14.321 -11.156 1.00 0.00 C ATOM 0 H THR A 25 -11.062 -12.963 -12.618 1.00 0.00 H new ATOM 0 HA THR A 25 -10.526 -15.335 -13.655 1.00 0.00 H new ATOM 0 HB THR A 25 -10.549 -16.275 -11.435 1.00 0.00 H new ATOM 0 HG1 THR A 25 -12.294 -14.092 -10.730 1.00 0.00 H new ATOM 0 HG21 THR A 25 -9.442 -14.504 -10.122 1.00 0.00 H new ATOM 0 HG22 THR A 25 -8.886 -14.515 -11.812 1.00 0.00 H new ATOM 0 HG23 THR A 25 -10.048 -13.283 -11.266 1.00 0.00 H new ATOM 346 N ASN A 26 -13.733 -15.276 -12.905 1.00 0.00 N ATOM 347 CA ASN A 26 -15.005 -15.956 -13.116 1.00 0.00 C ATOM 348 C ASN A 26 -15.038 -16.636 -14.482 1.00 0.00 C ATOM 349 O ASN A 26 -15.357 -17.819 -14.590 1.00 0.00 O ATOM 350 CB ASN A 26 -16.164 -14.963 -13.001 1.00 0.00 C ATOM 351 CG ASN A 26 -16.553 -14.694 -11.560 1.00 0.00 C ATOM 352 OD1 ASN A 26 -17.263 -15.485 -10.939 1.00 0.00 O ATOM 353 ND2 ASN A 26 -16.088 -13.573 -11.021 1.00 0.00 N ATOM 0 H ASN A 26 -13.813 -14.359 -12.465 1.00 0.00 H new ATOM 0 HA ASN A 26 -15.112 -16.720 -12.346 1.00 0.00 H new ATOM 0 HB2 ASN A 26 -15.884 -14.025 -13.480 1.00 0.00 H new ATOM 0 HB3 ASN A 26 -17.027 -15.352 -13.541 1.00 0.00 H new ATOM 0 HD21 ASN A 26 -16.316 -13.339 -10.055 1.00 0.00 H new ATOM 0 HD22 ASN A 26 -15.503 -12.946 -11.573 1.00 0.00 H new ATOM 360 N GLY A 27 -14.705 -15.879 -15.522 1.00 0.00 N ATOM 361 CA GLY A 27 -14.702 -16.425 -16.867 1.00 0.00 C ATOM 362 C GLY A 27 -13.333 -16.924 -17.287 1.00 0.00 C ATOM 363 O GLY A 27 -12.770 -16.453 -18.275 1.00 0.00 O ATOM 0 H GLY A 27 -14.437 -14.897 -15.458 1.00 0.00 H new ATOM 0 HA2 GLY A 27 -15.418 -17.245 -16.925 1.00 0.00 H new ATOM 0 HA3 GLY A 27 -15.037 -15.660 -17.567 1.00 0.00 H new ATOM 367 N ASP A 28 -12.797 -17.878 -16.534 1.00 0.00 N ATOM 368 CA ASP A 28 -11.485 -18.441 -16.833 1.00 0.00 C ATOM 369 C ASP A 28 -11.559 -19.960 -16.947 1.00 0.00 C ATOM 370 O ASP A 28 -12.204 -20.624 -16.135 1.00 0.00 O ATOM 371 CB ASP A 28 -10.478 -18.046 -15.752 1.00 0.00 C ATOM 372 CG ASP A 28 -9.064 -17.942 -16.287 1.00 0.00 C ATOM 373 OD1 ASP A 28 -8.891 -17.420 -17.408 1.00 0.00 O ATOM 374 OD2 ASP A 28 -8.129 -18.385 -15.586 1.00 0.00 O ATOM 0 H ASP A 28 -13.250 -18.278 -15.712 1.00 0.00 H new ATOM 0 HA ASP A 28 -11.154 -18.039 -17.790 1.00 0.00 H new ATOM 0 HB2 ASP A 28 -10.771 -17.089 -15.319 1.00 0.00 H new ATOM 0 HB3 ASP A 28 -10.506 -18.781 -14.948 1.00 0.00 H new ATOM 379 N LYS A 29 -10.895 -20.505 -17.961 1.00 0.00 N ATOM 380 CA LYS A 29 -10.885 -21.946 -18.183 1.00 0.00 C ATOM 381 C LYS A 29 -10.065 -22.656 -17.110 1.00 0.00 C ATOM 382 O LYS A 29 -10.467 -23.699 -16.597 1.00 0.00 O ATOM 383 CB LYS A 29 -10.317 -22.266 -19.567 1.00 0.00 C ATOM 384 CG LYS A 29 -11.069 -21.594 -20.703 1.00 0.00 C ATOM 385 CD LYS A 29 -12.217 -22.457 -21.200 1.00 0.00 C ATOM 386 CE LYS A 29 -13.494 -22.192 -20.417 1.00 0.00 C ATOM 387 NZ LYS A 29 -14.693 -22.736 -21.112 1.00 0.00 N ATOM 0 H LYS A 29 -10.357 -19.970 -18.642 1.00 0.00 H new ATOM 0 HA LYS A 29 -11.913 -22.304 -18.127 1.00 0.00 H new ATOM 0 HB2 LYS A 29 -9.272 -21.958 -19.602 1.00 0.00 H new ATOM 0 HB3 LYS A 29 -10.336 -23.345 -19.718 1.00 0.00 H new ATOM 0 HG2 LYS A 29 -11.455 -20.632 -20.366 1.00 0.00 H new ATOM 0 HG3 LYS A 29 -10.383 -21.391 -21.525 1.00 0.00 H new ATOM 0 HD2 LYS A 29 -12.390 -22.260 -22.258 1.00 0.00 H new ATOM 0 HD3 LYS A 29 -11.947 -23.509 -21.112 1.00 0.00 H new ATOM 0 HE2 LYS A 29 -13.413 -22.641 -19.427 1.00 0.00 H new ATOM 0 HE3 LYS A 29 -13.615 -21.119 -20.271 1.00 0.00 H new ATOM 0 HZ1 LYS A 29 -15.543 -22.535 -20.547 1.00 0.00 H new ATOM 0 HZ2 LYS A 29 -14.785 -22.289 -22.047 1.00 0.00 H new ATOM 0 HZ3 LYS A 29 -14.590 -23.764 -21.229 1.00 0.00 H new ATOM 401 N ASN A 30 -8.914 -22.082 -16.774 1.00 0.00 N ATOM 402 CA ASN A 30 -8.038 -22.659 -15.761 1.00 0.00 C ATOM 403 C ASN A 30 -8.664 -22.549 -14.374 1.00 0.00 C ATOM 404 O ASN A 30 -8.694 -23.519 -13.616 1.00 0.00 O ATOM 405 CB ASN A 30 -6.677 -21.960 -15.775 1.00 0.00 C ATOM 406 CG ASN A 30 -5.620 -22.739 -15.017 1.00 0.00 C ATOM 407 OD1 ASN A 30 -5.795 -22.853 -13.706 1.00 0.00 O flip ATOM 408 ND2 ASN A 30 -4.656 -23.232 -15.604 1.00 0.00 N flip ATOM 0 H ASN A 30 -8.566 -21.217 -17.189 1.00 0.00 H new ATOM 0 HA ASN A 30 -7.899 -23.714 -15.995 1.00 0.00 H new ATOM 0 HB2 ASN A 30 -6.353 -21.822 -16.807 1.00 0.00 H new ATOM 0 HB3 ASN A 30 -6.777 -20.967 -15.337 1.00 0.00 H new ATOM 0 HD21 ASN A 30 -4.562 -23.120 -16.613 1.00 0.00 H new ATOM 0 HD22 ASN A 30 -3.952 -23.753 -15.081 1.00 0.00 H new ATOM 415 N PHE A 31 -9.165 -21.362 -14.049 1.00 0.00 N ATOM 416 CA PHE A 31 -9.791 -21.124 -12.754 1.00 0.00 C ATOM 417 C PHE A 31 -11.016 -22.014 -12.570 1.00 0.00 C ATOM 418 O PHE A 31 -11.211 -22.609 -11.511 1.00 0.00 O ATOM 419 CB PHE A 31 -10.190 -19.653 -12.618 1.00 0.00 C ATOM 420 CG PHE A 31 -10.246 -19.176 -11.195 1.00 0.00 C ATOM 421 CD1 PHE A 31 -9.083 -18.993 -10.465 1.00 0.00 C ATOM 422 CD2 PHE A 31 -11.463 -18.913 -10.587 1.00 0.00 C ATOM 423 CE1 PHE A 31 -9.132 -18.553 -9.155 1.00 0.00 C ATOM 424 CE2 PHE A 31 -11.518 -18.473 -9.278 1.00 0.00 C ATOM 425 CZ PHE A 31 -10.351 -18.294 -8.561 1.00 0.00 C ATOM 0 H PHE A 31 -9.150 -20.549 -14.665 1.00 0.00 H new ATOM 0 HA PHE A 31 -9.066 -21.369 -11.978 1.00 0.00 H new ATOM 0 HB2 PHE A 31 -9.479 -19.039 -13.171 1.00 0.00 H new ATOM 0 HB3 PHE A 31 -11.166 -19.505 -13.081 1.00 0.00 H new ATOM 0 HD1 PHE A 31 -8.127 -19.196 -10.924 1.00 0.00 H new ATOM 0 HD2 PHE A 31 -12.379 -19.053 -11.142 1.00 0.00 H new ATOM 0 HE1 PHE A 31 -8.218 -18.412 -8.597 1.00 0.00 H new ATOM 0 HE2 PHE A 31 -12.473 -18.269 -8.816 1.00 0.00 H new ATOM 0 HZ PHE A 31 -10.392 -17.952 -7.537 1.00 0.00 H new ATOM 435 N GLU A 32 -11.840 -22.099 -13.611 1.00 0.00 N ATOM 436 CA GLU A 32 -13.047 -22.915 -13.564 1.00 0.00 C ATOM 437 C GLU A 32 -12.713 -24.362 -13.213 1.00 0.00 C ATOM 438 O GLU A 32 -13.414 -24.999 -12.427 1.00 0.00 O ATOM 439 CB GLU A 32 -13.779 -22.861 -14.907 1.00 0.00 C ATOM 440 CG GLU A 32 -14.661 -21.634 -15.070 1.00 0.00 C ATOM 441 CD GLU A 32 -15.982 -21.764 -14.337 1.00 0.00 C ATOM 442 OE1 GLU A 32 -16.890 -22.439 -14.864 1.00 0.00 O ATOM 443 OE2 GLU A 32 -16.107 -21.189 -13.235 1.00 0.00 O ATOM 0 H GLU A 32 -11.693 -21.613 -14.496 1.00 0.00 H new ATOM 0 HA GLU A 32 -13.697 -22.511 -12.787 1.00 0.00 H new ATOM 0 HB2 GLU A 32 -13.045 -22.880 -15.713 1.00 0.00 H new ATOM 0 HB3 GLU A 32 -14.392 -23.756 -15.013 1.00 0.00 H new ATOM 0 HG2 GLU A 32 -14.129 -20.757 -14.700 1.00 0.00 H new ATOM 0 HG3 GLU A 32 -14.853 -21.467 -16.130 1.00 0.00 H new ATOM 450 N SER A 33 -11.637 -24.875 -13.802 1.00 0.00 N ATOM 451 CA SER A 33 -11.211 -26.247 -13.556 1.00 0.00 C ATOM 452 C SER A 33 -9.788 -26.472 -14.056 1.00 0.00 C ATOM 453 O SER A 33 -9.197 -25.603 -14.695 1.00 0.00 O ATOM 454 CB SER A 33 -12.165 -27.230 -14.239 1.00 0.00 C ATOM 455 OG SER A 33 -11.987 -27.219 -15.645 1.00 0.00 O ATOM 0 H SER A 33 -11.044 -24.360 -14.453 1.00 0.00 H new ATOM 0 HA SER A 33 -11.231 -26.420 -12.480 1.00 0.00 H new ATOM 0 HB2 SER A 33 -11.992 -28.235 -13.855 1.00 0.00 H new ATOM 0 HB3 SER A 33 -13.195 -26.969 -13.998 1.00 0.00 H new ATOM 0 HG SER A 33 -12.606 -27.856 -16.058 1.00 0.00 H new ATOM 461 N GLY A 34 -9.242 -27.648 -13.759 1.00 0.00 N ATOM 462 CA GLY A 34 -7.892 -27.968 -14.185 1.00 0.00 C ATOM 463 C GLY A 34 -7.094 -28.671 -13.105 1.00 0.00 C ATOM 464 O GLY A 34 -7.632 -29.441 -12.308 1.00 0.00 O ATOM 0 H GLY A 34 -9.711 -28.384 -13.231 1.00 0.00 H new ATOM 0 HA2 GLY A 34 -7.935 -28.601 -15.071 1.00 0.00 H new ATOM 0 HA3 GLY A 34 -7.378 -27.051 -14.473 1.00 0.00 H new ATOM 468 N PRO A 35 -5.779 -28.409 -13.069 1.00 0.00 N ATOM 469 CA PRO A 35 -4.878 -29.013 -12.084 1.00 0.00 C ATOM 470 C PRO A 35 -5.122 -28.484 -10.674 1.00 0.00 C ATOM 471 O PRO A 35 -4.415 -28.848 -9.734 1.00 0.00 O ATOM 472 CB PRO A 35 -3.488 -28.603 -12.576 1.00 0.00 C ATOM 473 CG PRO A 35 -3.715 -27.354 -13.355 1.00 0.00 C ATOM 474 CD PRO A 35 -5.071 -27.501 -13.988 1.00 0.00 C ATOM 0 HA PRO A 35 -5.018 -30.091 -12.011 1.00 0.00 H new ATOM 0 HB2 PRO A 35 -2.808 -28.431 -11.742 1.00 0.00 H new ATOM 0 HB3 PRO A 35 -3.042 -29.381 -13.196 1.00 0.00 H new ATOM 0 HG2 PRO A 35 -3.680 -26.478 -12.707 1.00 0.00 H new ATOM 0 HG3 PRO A 35 -2.943 -27.221 -14.113 1.00 0.00 H new ATOM 0 HD2 PRO A 35 -5.580 -26.541 -14.076 1.00 0.00 H new ATOM 0 HD3 PRO A 35 -5.003 -27.919 -14.992 1.00 0.00 H new ATOM 482 N ARG A 36 -6.125 -27.625 -10.535 1.00 0.00 N ATOM 483 CA ARG A 36 -6.461 -27.045 -9.240 1.00 0.00 C ATOM 484 C ARG A 36 -5.320 -26.175 -8.721 1.00 0.00 C ATOM 485 O ARG A 36 -4.918 -26.288 -7.563 1.00 0.00 O ATOM 486 CB ARG A 36 -6.774 -28.150 -8.229 1.00 0.00 C ATOM 487 CG ARG A 36 -7.526 -27.658 -7.002 1.00 0.00 C ATOM 488 CD ARG A 36 -7.505 -28.690 -5.886 1.00 0.00 C ATOM 489 NE ARG A 36 -6.311 -28.571 -5.053 1.00 0.00 N ATOM 490 CZ ARG A 36 -6.179 -27.676 -4.081 1.00 0.00 C ATOM 491 NH1 ARG A 36 -7.162 -26.827 -3.819 1.00 0.00 N ATOM 492 NH2 ARG A 36 -5.061 -27.631 -3.367 1.00 0.00 N ATOM 0 H ARG A 36 -6.720 -27.315 -11.303 1.00 0.00 H new ATOM 0 HA ARG A 36 -7.343 -26.418 -9.369 1.00 0.00 H new ATOM 0 HB2 ARG A 36 -7.364 -28.924 -8.720 1.00 0.00 H new ATOM 0 HB3 ARG A 36 -5.841 -28.615 -7.911 1.00 0.00 H new ATOM 0 HG2 ARG A 36 -7.079 -26.729 -6.648 1.00 0.00 H new ATOM 0 HG3 ARG A 36 -8.558 -27.433 -7.272 1.00 0.00 H new ATOM 0 HD2 ARG A 36 -8.393 -28.571 -5.266 1.00 0.00 H new ATOM 0 HD3 ARG A 36 -7.548 -29.690 -6.316 1.00 0.00 H new ATOM 0 HE ARG A 36 -5.536 -29.211 -5.228 1.00 0.00 H new ATOM 0 HH11 ARG A 36 -8.023 -26.860 -4.365 1.00 0.00 H new ATOM 0 HH12 ARG A 36 -7.058 -26.141 -3.072 1.00 0.00 H new ATOM 0 HH21 ARG A 36 -4.303 -28.284 -3.565 1.00 0.00 H new ATOM 0 HH22 ARG A 36 -4.960 -26.943 -2.620 1.00 0.00 H new ATOM 506 N ILE A 37 -4.803 -25.309 -9.586 1.00 0.00 N ATOM 507 CA ILE A 37 -3.709 -24.420 -9.215 1.00 0.00 C ATOM 508 C ILE A 37 -3.550 -23.292 -10.228 1.00 0.00 C ATOM 509 O ILE A 37 -4.113 -23.340 -11.322 1.00 0.00 O ATOM 510 CB ILE A 37 -2.377 -25.184 -9.101 1.00 0.00 C ATOM 511 CG1 ILE A 37 -1.439 -24.475 -8.122 1.00 0.00 C ATOM 512 CG2 ILE A 37 -1.723 -25.315 -10.469 1.00 0.00 C ATOM 513 CD1 ILE A 37 -0.406 -25.390 -7.504 1.00 0.00 C ATOM 0 H ILE A 37 -5.124 -25.204 -10.548 1.00 0.00 H new ATOM 0 HA ILE A 37 -3.961 -23.998 -8.242 1.00 0.00 H new ATOM 0 HB ILE A 37 -2.581 -26.185 -8.720 1.00 0.00 H new ATOM 0 HG12 ILE A 37 -0.929 -23.664 -8.643 1.00 0.00 H new ATOM 0 HG13 ILE A 37 -2.032 -24.021 -7.328 1.00 0.00 H new ATOM 0 HG21 ILE A 37 -0.782 -25.857 -10.372 1.00 0.00 H new ATOM 0 HG22 ILE A 37 -2.388 -25.859 -11.140 1.00 0.00 H new ATOM 0 HG23 ILE A 37 -1.529 -24.323 -10.876 1.00 0.00 H new ATOM 0 HD11 ILE A 37 0.224 -24.819 -6.821 1.00 0.00 H new ATOM 0 HD12 ILE A 37 -0.908 -26.187 -6.955 1.00 0.00 H new ATOM 0 HD13 ILE A 37 0.212 -25.824 -8.290 1.00 0.00 H new ATOM 525 N LYS A 38 -2.778 -22.276 -9.858 1.00 0.00 N ATOM 526 CA LYS A 38 -2.541 -21.135 -10.734 1.00 0.00 C ATOM 527 C LYS A 38 -1.049 -20.838 -10.849 1.00 0.00 C ATOM 528 O LYS A 38 -0.286 -21.065 -9.910 1.00 0.00 O ATOM 529 CB LYS A 38 -3.278 -19.901 -10.210 1.00 0.00 C ATOM 530 CG LYS A 38 -2.865 -19.497 -8.805 1.00 0.00 C ATOM 531 CD LYS A 38 -1.672 -18.555 -8.824 1.00 0.00 C ATOM 532 CE LYS A 38 -1.563 -17.768 -7.527 1.00 0.00 C ATOM 533 NZ LYS A 38 -0.406 -16.831 -7.542 1.00 0.00 N ATOM 0 H LYS A 38 -2.305 -22.220 -8.956 1.00 0.00 H new ATOM 0 HA LYS A 38 -2.922 -21.384 -11.724 1.00 0.00 H new ATOM 0 HB2 LYS A 38 -3.098 -19.066 -10.887 1.00 0.00 H new ATOM 0 HB3 LYS A 38 -4.350 -20.096 -10.223 1.00 0.00 H new ATOM 0 HG2 LYS A 38 -3.703 -19.014 -8.303 1.00 0.00 H new ATOM 0 HG3 LYS A 38 -2.618 -20.387 -8.227 1.00 0.00 H new ATOM 0 HD2 LYS A 38 -0.758 -19.127 -8.982 1.00 0.00 H new ATOM 0 HD3 LYS A 38 -1.765 -17.865 -9.663 1.00 0.00 H new ATOM 0 HE2 LYS A 38 -2.483 -17.206 -7.365 1.00 0.00 H new ATOM 0 HE3 LYS A 38 -1.460 -18.459 -6.690 1.00 0.00 H new ATOM 0 HZ1 LYS A 38 -0.367 -16.314 -6.641 1.00 0.00 H new ATOM 0 HZ2 LYS A 38 0.475 -17.369 -7.671 1.00 0.00 H new ATOM 0 HZ3 LYS A 38 -0.517 -16.155 -8.325 1.00 0.00 H new ATOM 547 N LYS A 39 -0.639 -20.328 -12.006 1.00 0.00 N ATOM 548 CA LYS A 39 0.761 -19.997 -12.244 1.00 0.00 C ATOM 549 C LYS A 39 0.968 -18.486 -12.255 1.00 0.00 C ATOM 550 O LYS A 39 0.031 -17.723 -12.491 1.00 0.00 O ATOM 551 CB LYS A 39 1.230 -20.597 -13.571 1.00 0.00 C ATOM 552 CG LYS A 39 1.278 -22.115 -13.569 1.00 0.00 C ATOM 553 CD LYS A 39 2.092 -22.649 -14.736 1.00 0.00 C ATOM 554 CE LYS A 39 1.275 -22.677 -16.019 1.00 0.00 C ATOM 555 NZ LYS A 39 2.087 -23.126 -17.183 1.00 0.00 N ATOM 0 H LYS A 39 -1.257 -20.135 -12.794 1.00 0.00 H new ATOM 0 HA LYS A 39 1.352 -20.421 -11.432 1.00 0.00 H new ATOM 0 HB2 LYS A 39 0.563 -20.264 -14.366 1.00 0.00 H new ATOM 0 HB3 LYS A 39 2.222 -20.211 -13.804 1.00 0.00 H new ATOM 0 HG2 LYS A 39 1.711 -22.465 -12.632 1.00 0.00 H new ATOM 0 HG3 LYS A 39 0.264 -22.512 -13.620 1.00 0.00 H new ATOM 0 HD2 LYS A 39 2.976 -22.027 -14.880 1.00 0.00 H new ATOM 0 HD3 LYS A 39 2.444 -23.655 -14.506 1.00 0.00 H new ATOM 0 HE2 LYS A 39 0.422 -23.344 -15.892 1.00 0.00 H new ATOM 0 HE3 LYS A 39 0.875 -21.682 -16.217 1.00 0.00 H new ATOM 0 HZ1 LYS A 39 1.495 -23.132 -18.038 1.00 0.00 H new ATOM 0 HZ2 LYS A 39 2.887 -22.475 -17.320 1.00 0.00 H new ATOM 0 HZ3 LYS A 39 2.448 -24.085 -17.005 1.00 0.00 H new ATOM 569 N SER A 40 2.201 -18.061 -12.000 1.00 0.00 N ATOM 570 CA SER A 40 2.531 -16.640 -11.978 1.00 0.00 C ATOM 571 C SER A 40 3.327 -16.249 -13.220 1.00 0.00 C ATOM 572 O SER A 40 4.287 -16.923 -13.595 1.00 0.00 O ATOM 573 CB SER A 40 3.328 -16.299 -10.718 1.00 0.00 C ATOM 574 OG SER A 40 2.627 -16.688 -9.550 1.00 0.00 O ATOM 0 H SER A 40 2.988 -18.680 -11.806 1.00 0.00 H new ATOM 0 HA SER A 40 1.599 -16.075 -11.972 1.00 0.00 H new ATOM 0 HB2 SER A 40 4.295 -16.800 -10.749 1.00 0.00 H new ATOM 0 HB3 SER A 40 3.525 -15.227 -10.688 1.00 0.00 H new ATOM 0 HG SER A 40 3.158 -16.461 -8.759 1.00 0.00 H new ATOM 580 N THR A 41 2.921 -15.153 -13.854 1.00 0.00 N ATOM 581 CA THR A 41 3.595 -14.671 -15.053 1.00 0.00 C ATOM 582 C THR A 41 4.948 -14.056 -14.715 1.00 0.00 C ATOM 583 O THR A 41 5.191 -13.654 -13.577 1.00 0.00 O ATOM 584 CB THR A 41 2.740 -13.627 -15.796 1.00 0.00 C ATOM 585 OG1 THR A 41 2.462 -12.518 -14.933 1.00 0.00 O ATOM 586 CG2 THR A 41 1.434 -14.240 -16.278 1.00 0.00 C ATOM 0 H THR A 41 2.129 -14.583 -13.557 1.00 0.00 H new ATOM 0 HA THR A 41 3.744 -15.535 -15.700 1.00 0.00 H new ATOM 0 HB THR A 41 3.302 -13.281 -16.663 1.00 0.00 H new ATOM 0 HG1 THR A 41 1.920 -11.858 -15.413 1.00 0.00 H new ATOM 0 HG21 THR A 41 0.848 -13.484 -16.800 1.00 0.00 H new ATOM 0 HG22 THR A 41 1.648 -15.065 -16.957 1.00 0.00 H new ATOM 0 HG23 THR A 41 0.869 -14.611 -15.423 1.00 0.00 H new ATOM 594 N GLY A 42 5.826 -13.984 -15.710 1.00 0.00 N ATOM 595 CA GLY A 42 7.144 -13.415 -15.497 1.00 0.00 C ATOM 596 C GLY A 42 7.121 -11.901 -15.445 1.00 0.00 C ATOM 597 O GLY A 42 7.275 -11.307 -14.378 1.00 0.00 O ATOM 0 H GLY A 42 5.648 -14.310 -16.660 1.00 0.00 H new ATOM 0 HA2 GLY A 42 7.557 -13.801 -14.565 1.00 0.00 H new ATOM 0 HA3 GLY A 42 7.809 -13.738 -16.298 1.00 0.00 H new ATOM 601 N ILE A 43 6.928 -11.274 -16.601 1.00 0.00 N ATOM 602 CA ILE A 43 6.886 -9.819 -16.683 1.00 0.00 C ATOM 603 C ILE A 43 5.454 -9.319 -16.838 1.00 0.00 C ATOM 604 O ILE A 43 4.602 -9.975 -17.437 1.00 0.00 O ATOM 605 CB ILE A 43 7.731 -9.296 -17.859 1.00 0.00 C ATOM 606 CG1 ILE A 43 7.233 -9.894 -19.177 1.00 0.00 C ATOM 607 CG2 ILE A 43 9.201 -9.626 -17.644 1.00 0.00 C ATOM 608 CD1 ILE A 43 7.831 -9.237 -20.402 1.00 0.00 C ATOM 0 H ILE A 43 6.798 -11.751 -17.493 1.00 0.00 H new ATOM 0 HA ILE A 43 7.303 -9.438 -15.751 1.00 0.00 H new ATOM 0 HB ILE A 43 7.626 -8.212 -17.909 1.00 0.00 H new ATOM 0 HG12 ILE A 43 7.466 -10.959 -19.195 1.00 0.00 H new ATOM 0 HG13 ILE A 43 6.147 -9.805 -19.220 1.00 0.00 H new ATOM 0 HG21 ILE A 43 9.785 -9.250 -18.484 1.00 0.00 H new ATOM 0 HG22 ILE A 43 9.548 -9.159 -16.722 1.00 0.00 H new ATOM 0 HG23 ILE A 43 9.324 -10.707 -17.571 1.00 0.00 H new ATOM 0 HD11 ILE A 43 7.434 -9.711 -21.300 1.00 0.00 H new ATOM 0 HD12 ILE A 43 7.576 -8.177 -20.408 1.00 0.00 H new ATOM 0 HD13 ILE A 43 8.915 -9.349 -20.382 1.00 0.00 H new ATOM 620 N PRO A 44 5.181 -8.127 -16.286 1.00 0.00 N ATOM 621 CA PRO A 44 3.853 -7.510 -16.352 1.00 0.00 C ATOM 622 C PRO A 44 3.496 -7.050 -17.762 1.00 0.00 C ATOM 623 O PRO A 44 2.504 -6.350 -17.964 1.00 0.00 O ATOM 624 CB PRO A 44 3.973 -6.308 -15.412 1.00 0.00 C ATOM 625 CG PRO A 44 5.426 -5.980 -15.400 1.00 0.00 C ATOM 626 CD PRO A 44 6.148 -7.289 -15.557 1.00 0.00 C ATOM 0 HA PRO A 44 3.065 -8.209 -16.073 1.00 0.00 H new ATOM 0 HB2 PRO A 44 3.380 -5.466 -15.769 1.00 0.00 H new ATOM 0 HB3 PRO A 44 3.614 -6.550 -14.412 1.00 0.00 H new ATOM 0 HG2 PRO A 44 5.678 -5.296 -16.210 1.00 0.00 H new ATOM 0 HG3 PRO A 44 5.707 -5.489 -14.469 1.00 0.00 H new ATOM 0 HD2 PRO A 44 7.077 -7.171 -16.114 1.00 0.00 H new ATOM 0 HD3 PRO A 44 6.408 -7.723 -14.591 1.00 0.00 H new ATOM 634 N ARG A 45 4.312 -7.446 -18.733 1.00 0.00 N ATOM 635 CA ARG A 45 4.083 -7.073 -20.123 1.00 0.00 C ATOM 636 C ARG A 45 4.070 -8.307 -21.022 1.00 0.00 C ATOM 637 O ARG A 45 5.042 -9.059 -21.074 1.00 0.00 O ATOM 638 CB ARG A 45 5.161 -6.097 -20.596 1.00 0.00 C ATOM 639 CG ARG A 45 5.158 -4.775 -19.845 1.00 0.00 C ATOM 640 CD ARG A 45 6.229 -3.832 -20.371 1.00 0.00 C ATOM 641 NE ARG A 45 5.873 -3.270 -21.671 1.00 0.00 N ATOM 642 CZ ARG A 45 6.656 -2.441 -22.352 1.00 0.00 C ATOM 643 NH1 ARG A 45 7.833 -2.080 -21.859 1.00 0.00 N ATOM 644 NH2 ARG A 45 6.262 -1.971 -23.529 1.00 0.00 N ATOM 0 H ARG A 45 5.138 -8.025 -18.582 1.00 0.00 H new ATOM 0 HA ARG A 45 3.109 -6.587 -20.187 1.00 0.00 H new ATOM 0 HB2 ARG A 45 6.138 -6.566 -20.484 1.00 0.00 H new ATOM 0 HB3 ARG A 45 5.021 -5.902 -21.659 1.00 0.00 H new ATOM 0 HG2 ARG A 45 4.179 -4.304 -19.939 1.00 0.00 H new ATOM 0 HG3 ARG A 45 5.323 -4.958 -18.783 1.00 0.00 H new ATOM 0 HD2 ARG A 45 6.383 -3.023 -19.656 1.00 0.00 H new ATOM 0 HD3 ARG A 45 7.175 -4.368 -20.454 1.00 0.00 H new ATOM 0 HE ARG A 45 4.974 -3.528 -22.078 1.00 0.00 H new ATOM 0 HH11 ARG A 45 8.139 -2.439 -20.955 1.00 0.00 H new ATOM 0 HH12 ARG A 45 8.432 -1.443 -22.384 1.00 0.00 H new ATOM 0 HH21 ARG A 45 5.357 -2.246 -23.911 1.00 0.00 H new ATOM 0 HH22 ARG A 45 6.864 -1.334 -24.051 1.00 0.00 H new ATOM 658 N SER A 46 2.961 -8.507 -21.727 1.00 0.00 N ATOM 659 CA SER A 46 2.819 -9.651 -22.620 1.00 0.00 C ATOM 660 C SER A 46 1.848 -9.338 -23.754 1.00 0.00 C ATOM 661 O SER A 46 0.945 -8.514 -23.604 1.00 0.00 O ATOM 662 CB SER A 46 2.334 -10.875 -21.841 1.00 0.00 C ATOM 663 OG SER A 46 2.056 -11.957 -22.714 1.00 0.00 O ATOM 0 H SER A 46 2.148 -7.892 -21.697 1.00 0.00 H new ATOM 0 HA SER A 46 3.796 -9.867 -23.052 1.00 0.00 H new ATOM 0 HB2 SER A 46 3.092 -11.173 -21.117 1.00 0.00 H new ATOM 0 HB3 SER A 46 1.437 -10.619 -21.277 1.00 0.00 H new ATOM 0 HG SER A 46 1.749 -12.728 -22.192 1.00 0.00 H new ATOM 669 N PHE A 47 2.040 -10.001 -24.889 1.00 0.00 N ATOM 670 CA PHE A 47 1.183 -9.793 -26.051 1.00 0.00 C ATOM 671 C PHE A 47 0.844 -11.122 -26.721 1.00 0.00 C ATOM 672 O PHE A 47 1.733 -11.903 -27.059 1.00 0.00 O ATOM 673 CB PHE A 47 1.865 -8.862 -27.055 1.00 0.00 C ATOM 674 CG PHE A 47 0.909 -7.955 -27.776 1.00 0.00 C ATOM 675 CD1 PHE A 47 -0.305 -8.436 -28.242 1.00 0.00 C ATOM 676 CD2 PHE A 47 1.224 -6.623 -27.990 1.00 0.00 C ATOM 677 CE1 PHE A 47 -1.187 -7.604 -28.906 1.00 0.00 C ATOM 678 CE2 PHE A 47 0.346 -5.787 -28.653 1.00 0.00 C ATOM 679 CZ PHE A 47 -0.860 -6.278 -29.113 1.00 0.00 C ATOM 0 H PHE A 47 2.782 -10.687 -25.029 1.00 0.00 H new ATOM 0 HA PHE A 47 0.257 -9.331 -25.710 1.00 0.00 H new ATOM 0 HB2 PHE A 47 2.604 -8.256 -26.532 1.00 0.00 H new ATOM 0 HB3 PHE A 47 2.405 -9.463 -27.787 1.00 0.00 H new ATOM 0 HD1 PHE A 47 -0.565 -9.472 -28.084 1.00 0.00 H new ATOM 0 HD2 PHE A 47 2.167 -6.234 -27.635 1.00 0.00 H new ATOM 0 HE1 PHE A 47 -2.130 -7.990 -29.262 1.00 0.00 H new ATOM 0 HE2 PHE A 47 0.603 -4.750 -28.811 1.00 0.00 H new ATOM 0 HZ PHE A 47 -1.546 -5.626 -29.634 1.00 0.00 H new ATOM 689 N MET A 48 -0.448 -11.370 -26.909 1.00 0.00 N ATOM 690 CA MET A 48 -0.905 -12.604 -27.539 1.00 0.00 C ATOM 691 C MET A 48 -0.162 -12.853 -28.848 1.00 0.00 C ATOM 692 O MET A 48 -0.058 -13.990 -29.306 1.00 0.00 O ATOM 693 CB MET A 48 -2.411 -12.542 -27.797 1.00 0.00 C ATOM 694 CG MET A 48 -2.813 -11.467 -28.794 1.00 0.00 C ATOM 695 SD MET A 48 -4.474 -10.830 -28.498 1.00 0.00 S ATOM 696 CE MET A 48 -4.742 -9.875 -29.989 1.00 0.00 C ATOM 0 H MET A 48 -1.197 -10.734 -26.635 1.00 0.00 H new ATOM 0 HA MET A 48 -0.694 -13.430 -26.860 1.00 0.00 H new ATOM 0 HB2 MET A 48 -2.749 -13.511 -28.164 1.00 0.00 H new ATOM 0 HB3 MET A 48 -2.926 -12.362 -26.853 1.00 0.00 H new ATOM 0 HG2 MET A 48 -2.099 -10.645 -28.744 1.00 0.00 H new ATOM 0 HG3 MET A 48 -2.759 -11.875 -29.803 1.00 0.00 H new ATOM 0 HE1 MET A 48 -5.731 -9.417 -29.955 1.00 0.00 H new ATOM 0 HE2 MET A 48 -3.984 -9.096 -30.063 1.00 0.00 H new ATOM 0 HE3 MET A 48 -4.675 -10.530 -30.858 1.00 0.00 H new ATOM 706 N MET A 49 0.352 -11.782 -29.444 1.00 0.00 N ATOM 707 CA MET A 49 1.085 -11.886 -30.700 1.00 0.00 C ATOM 708 C MET A 49 2.090 -10.747 -30.839 1.00 0.00 C ATOM 709 O MET A 49 1.709 -9.586 -30.983 1.00 0.00 O ATOM 710 CB MET A 49 0.116 -11.874 -31.884 1.00 0.00 C ATOM 711 CG MET A 49 -0.666 -13.168 -32.043 1.00 0.00 C ATOM 712 SD MET A 49 0.387 -14.567 -32.472 1.00 0.00 S ATOM 713 CE MET A 49 -0.567 -15.318 -33.789 1.00 0.00 C ATOM 0 H MET A 49 0.274 -10.833 -29.078 1.00 0.00 H new ATOM 0 HA MET A 49 1.630 -12.830 -30.696 1.00 0.00 H new ATOM 0 HB2 MET A 49 -0.585 -11.048 -31.761 1.00 0.00 H new ATOM 0 HB3 MET A 49 0.676 -11.683 -32.799 1.00 0.00 H new ATOM 0 HG2 MET A 49 -1.193 -13.386 -31.114 1.00 0.00 H new ATOM 0 HG3 MET A 49 -1.423 -13.038 -32.816 1.00 0.00 H new ATOM 0 HE1 MET A 49 -0.044 -16.200 -34.160 1.00 0.00 H new ATOM 0 HE2 MET A 49 -1.546 -15.610 -33.408 1.00 0.00 H new ATOM 0 HE3 MET A 49 -0.692 -14.602 -34.601 1.00 0.00 H new ATOM 723 N GLU A 50 3.374 -11.087 -30.794 1.00 0.00 N ATOM 724 CA GLU A 50 4.433 -10.091 -30.914 1.00 0.00 C ATOM 725 C GLU A 50 4.841 -9.904 -32.372 1.00 0.00 C ATOM 726 O GLU A 50 5.880 -9.312 -32.667 1.00 0.00 O ATOM 727 CB GLU A 50 5.648 -10.504 -30.081 1.00 0.00 C ATOM 728 CG GLU A 50 6.649 -9.381 -29.867 1.00 0.00 C ATOM 729 CD GLU A 50 7.677 -9.710 -28.802 1.00 0.00 C ATOM 730 OE1 GLU A 50 8.480 -10.641 -29.019 1.00 0.00 O ATOM 731 OE2 GLU A 50 7.677 -9.036 -27.751 1.00 0.00 O ATOM 0 H GLU A 50 3.706 -12.044 -30.675 1.00 0.00 H new ATOM 0 HA GLU A 50 4.050 -9.142 -30.538 1.00 0.00 H new ATOM 0 HB2 GLU A 50 5.307 -10.865 -29.111 1.00 0.00 H new ATOM 0 HB3 GLU A 50 6.149 -11.337 -30.573 1.00 0.00 H new ATOM 0 HG2 GLU A 50 7.160 -9.171 -30.807 1.00 0.00 H new ATOM 0 HG3 GLU A 50 6.116 -8.473 -29.584 1.00 0.00 H new ATOM 738 N VAL A 51 4.016 -10.413 -33.282 1.00 0.00 N ATOM 739 CA VAL A 51 4.290 -10.303 -34.709 1.00 0.00 C ATOM 740 C VAL A 51 3.785 -8.976 -35.265 1.00 0.00 C ATOM 741 O VAL A 51 3.738 -8.775 -36.478 1.00 0.00 O ATOM 742 CB VAL A 51 3.641 -11.456 -35.497 1.00 0.00 C ATOM 743 CG1 VAL A 51 2.125 -11.334 -35.470 1.00 0.00 C ATOM 744 CG2 VAL A 51 4.158 -11.481 -36.927 1.00 0.00 C ATOM 0 H VAL A 51 3.152 -10.906 -33.055 1.00 0.00 H new ATOM 0 HA VAL A 51 5.372 -10.356 -34.827 1.00 0.00 H new ATOM 0 HB VAL A 51 3.914 -12.398 -35.021 1.00 0.00 H new ATOM 0 HG11 VAL A 51 1.684 -12.157 -36.032 1.00 0.00 H new ATOM 0 HG12 VAL A 51 1.775 -11.370 -34.438 1.00 0.00 H new ATOM 0 HG13 VAL A 51 1.828 -10.387 -35.921 1.00 0.00 H new ATOM 0 HG21 VAL A 51 3.689 -12.302 -37.469 1.00 0.00 H new ATOM 0 HG22 VAL A 51 3.917 -10.538 -37.417 1.00 0.00 H new ATOM 0 HG23 VAL A 51 5.239 -11.621 -36.921 1.00 0.00 H new ATOM 754 N LYS A 52 3.408 -8.071 -34.368 1.00 0.00 N ATOM 755 CA LYS A 52 2.907 -6.761 -34.766 1.00 0.00 C ATOM 756 C LYS A 52 3.925 -5.670 -34.449 1.00 0.00 C ATOM 757 O LYS A 52 3.590 -4.486 -34.414 1.00 0.00 O ATOM 758 CB LYS A 52 1.585 -6.460 -34.057 1.00 0.00 C ATOM 759 CG LYS A 52 0.767 -5.371 -34.731 1.00 0.00 C ATOM 760 CD LYS A 52 0.149 -5.861 -36.029 1.00 0.00 C ATOM 761 CE LYS A 52 -1.073 -6.729 -35.772 1.00 0.00 C ATOM 762 NZ LYS A 52 -1.456 -7.519 -36.975 1.00 0.00 N ATOM 0 H LYS A 52 3.440 -8.221 -33.360 1.00 0.00 H new ATOM 0 HA LYS A 52 2.739 -6.776 -35.843 1.00 0.00 H new ATOM 0 HB2 LYS A 52 0.991 -7.373 -34.011 1.00 0.00 H new ATOM 0 HB3 LYS A 52 1.793 -6.163 -33.029 1.00 0.00 H new ATOM 0 HG2 LYS A 52 -0.020 -5.036 -34.056 1.00 0.00 H new ATOM 0 HG3 LYS A 52 1.403 -4.509 -34.932 1.00 0.00 H new ATOM 0 HD2 LYS A 52 -0.133 -5.007 -36.644 1.00 0.00 H new ATOM 0 HD3 LYS A 52 0.888 -6.430 -36.593 1.00 0.00 H new ATOM 0 HE2 LYS A 52 -0.869 -7.406 -34.943 1.00 0.00 H new ATOM 0 HE3 LYS A 52 -1.909 -6.098 -35.470 1.00 0.00 H new ATOM 0 HZ1 LYS A 52 -2.293 -8.097 -36.759 1.00 0.00 H new ATOM 0 HZ2 LYS A 52 -1.675 -6.872 -37.760 1.00 0.00 H new ATOM 0 HZ3 LYS A 52 -0.668 -8.140 -37.248 1.00 0.00 H new ATOM 776 N ASP A 53 5.169 -6.076 -34.221 1.00 0.00 N ATOM 777 CA ASP A 53 6.237 -5.133 -33.910 1.00 0.00 C ATOM 778 C ASP A 53 7.333 -5.184 -34.970 1.00 0.00 C ATOM 779 O ASP A 53 8.170 -6.087 -34.988 1.00 0.00 O ATOM 780 CB ASP A 53 6.828 -5.435 -32.532 1.00 0.00 C ATOM 781 CG ASP A 53 5.759 -5.659 -31.481 1.00 0.00 C ATOM 782 OD1 ASP A 53 4.608 -5.230 -31.704 1.00 0.00 O ATOM 783 OD2 ASP A 53 6.074 -6.263 -30.434 1.00 0.00 O ATOM 0 H ASP A 53 5.463 -7.052 -34.246 1.00 0.00 H new ATOM 0 HA ASP A 53 5.811 -4.130 -33.902 1.00 0.00 H new ATOM 0 HB2 ASP A 53 7.461 -6.320 -32.597 1.00 0.00 H new ATOM 0 HB3 ASP A 53 7.468 -4.608 -32.225 1.00 0.00 H new ATOM 788 N PRO A 54 7.329 -4.194 -35.874 1.00 0.00 N ATOM 789 CA PRO A 54 8.316 -4.104 -36.954 1.00 0.00 C ATOM 790 C PRO A 54 9.710 -3.760 -36.439 1.00 0.00 C ATOM 791 O PRO A 54 10.686 -4.433 -36.765 1.00 0.00 O ATOM 792 CB PRO A 54 7.777 -2.974 -37.834 1.00 0.00 C ATOM 793 CG PRO A 54 6.957 -2.136 -36.915 1.00 0.00 C ATOM 794 CD PRO A 54 6.361 -3.085 -35.912 1.00 0.00 C ATOM 0 HA PRO A 54 8.433 -5.052 -37.479 1.00 0.00 H new ATOM 0 HB2 PRO A 54 8.588 -2.397 -38.278 1.00 0.00 H new ATOM 0 HB3 PRO A 54 7.176 -3.364 -38.656 1.00 0.00 H new ATOM 0 HG2 PRO A 54 7.571 -1.382 -36.422 1.00 0.00 H new ATOM 0 HG3 PRO A 54 6.177 -1.605 -37.462 1.00 0.00 H new ATOM 0 HD2 PRO A 54 6.248 -2.617 -34.934 1.00 0.00 H new ATOM 0 HD3 PRO A 54 5.372 -3.425 -36.219 1.00 0.00 H new ATOM 802 N ASN A 55 9.793 -2.707 -35.631 1.00 0.00 N ATOM 803 CA ASN A 55 11.068 -2.274 -35.070 1.00 0.00 C ATOM 804 C ASN A 55 11.264 -2.836 -33.666 1.00 0.00 C ATOM 805 O ASN A 55 12.310 -3.421 -33.391 1.00 0.00 O ATOM 806 CB ASN A 55 11.140 -0.746 -35.035 1.00 0.00 C ATOM 807 CG ASN A 55 12.248 -0.240 -34.131 1.00 0.00 C ATOM 808 OD1 ASN A 55 13.085 -1.013 -33.665 1.00 0.00 O ATOM 809 ND2 ASN A 55 12.256 1.063 -33.878 1.00 0.00 N ATOM 0 H ASN A 55 8.994 -2.139 -35.351 1.00 0.00 H new ATOM 0 HA ASN A 55 11.865 -2.655 -35.708 1.00 0.00 H new ATOM 0 HB2 ASN A 55 11.299 -0.369 -36.045 1.00 0.00 H new ATOM 0 HB3 ASN A 55 10.185 -0.348 -34.693 1.00 0.00 H new ATOM 0 HD21 ASN A 55 12.976 1.461 -33.275 1.00 0.00 H new ATOM 0 HD22 ASN A 55 11.542 1.666 -34.286 1.00 0.00 H new TER 816 ASN A 55 HETATM 817 ZN ZN A 181 -11.037 -10.864 -8.618 1.00 0.00 ZN