USER MOD reduce.3.24.130724 H: found=0, std=0, add=619, rem=0, adj=14 USER MOD reduce.3.24.130724 removed 615 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 27 HIS : no HD1:sc= 0 X(o=0,f=0) USER MOD Set 1.2: A 28 CYS SG : rot 180:sc= 0 USER MOD Set 2.1: A 15 THR OG1 : rot 180:sc=-0.00644 USER MOD Set 2.2: A 18 GLN : amide:sc= -0.517 K(o=-0.52,f=-9.1!) USER MOD Single : A 1 SER N :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 1 SER OG : rot 180:sc= 0 USER MOD Single : A 6 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 7 SER OG : rot -160:sc= 0 USER MOD Single : A 12 THR OG1 : rot 180:sc= 0 USER MOD Single : A 16 SER OG : rot 180:sc= 0 USER MOD Single : A 24 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 29 LYS NZ :NH3+ 155:sc= -0.504 (180deg=-1.44!) USER MOD Single : A 30 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 31 TYR OH : rot 180:sc= 0 USER MOD Single : A 33 SER OG : rot 180:sc= 0 USER MOD Single : A 35 THR OG1 : rot 180:sc= 0.0126 USER MOD Single : A 38 SER OG : rot -35:sc= 0.17 USER MOD Single : A 39 GLN : amide:sc= -0.0378 X(o=-0.038,f=-0.099) USER MOD Single : A 42 HIS : no HD1:sc= -0.114 X(o=-0.11,f=-0.009) USER MOD Single : A 45 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 47 SER OG : rot 180:sc= 0 USER MOD Single : A 50 GLN : amide:sc= 0.148 K(o=0.15,f=-0.38) USER MOD Single : A 52 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 56 GLN :FLIP amide:sc= -0.621 F(o=-1.6!,f=-0.62) USER MOD Single : A 57 ASN : amide:sc= -0.0751 K(o=-0.075,f=-1.6) USER MOD Single : A 61 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 63 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 66 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 69 ASN : amide:sc= 0.452 X(o=0.45,f=-0.028) USER MOD Single : A 71 SER OG : rot 180:sc= 0 USER MOD ----------------------------------------------------------------- ATOM 1 N SER A 1 14.775 7.495 2.264 1.00 0.00 N ATOM 2 CA SER A 1 15.019 8.211 3.530 1.00 0.00 C ATOM 3 C SER A 1 15.710 9.568 3.354 1.00 0.00 C ATOM 4 O SER A 1 15.398 10.472 4.130 1.00 0.00 O ATOM 5 CB SER A 1 15.770 7.317 4.521 1.00 0.00 C ATOM 6 OG SER A 1 15.562 7.752 5.850 1.00 0.00 O ATOM 0 H1 SER A 1 14.306 6.588 2.463 1.00 0.00 H new ATOM 0 H2 SER A 1 14.166 8.073 1.650 1.00 0.00 H new ATOM 0 H3 SER A 1 15.681 7.318 1.785 1.00 0.00 H new ATOM 0 HA SER A 1 14.037 8.444 3.943 1.00 0.00 H new ATOM 0 HB2 SER A 1 15.433 6.286 4.415 1.00 0.00 H new ATOM 0 HB3 SER A 1 16.836 7.329 4.293 1.00 0.00 H new ATOM 0 HG SER A 1 16.049 7.166 6.466 1.00 0.00 H new ATOM 12 N ALA A 2 16.642 9.719 2.400 1.00 0.00 N ATOM 13 CA ALA A 2 17.527 10.880 2.295 1.00 0.00 C ATOM 14 C ALA A 2 16.791 12.232 2.335 1.00 0.00 C ATOM 15 O ALA A 2 15.646 12.306 1.874 1.00 0.00 O ATOM 16 CB ALA A 2 18.300 10.784 0.977 1.00 0.00 C ATOM 0 H ALA A 2 16.801 9.024 1.670 1.00 0.00 H new ATOM 0 HA ALA A 2 18.185 10.855 3.164 1.00 0.00 H new ATOM 0 HB1 ALA A 2 18.965 11.642 0.882 1.00 0.00 H new ATOM 0 HB2 ALA A 2 18.888 9.866 0.966 1.00 0.00 H new ATOM 0 HB3 ALA A 2 17.598 10.775 0.143 1.00 0.00 H new ATOM 22 N PRO A 3 17.442 13.316 2.802 1.00 0.00 N ATOM 23 CA PRO A 3 16.908 14.669 2.686 1.00 0.00 C ATOM 24 C PRO A 3 16.703 15.042 1.214 1.00 0.00 C ATOM 25 O PRO A 3 17.409 14.563 0.320 1.00 0.00 O ATOM 26 CB PRO A 3 17.908 15.588 3.394 1.00 0.00 C ATOM 27 CG PRO A 3 19.201 14.784 3.457 1.00 0.00 C ATOM 28 CD PRO A 3 18.735 13.333 3.469 1.00 0.00 C ATOM 0 HA PRO A 3 15.926 14.762 3.151 1.00 0.00 H new ATOM 0 HB2 PRO A 3 18.048 16.519 2.844 1.00 0.00 H new ATOM 0 HB3 PRO A 3 17.560 15.856 4.392 1.00 0.00 H new ATOM 0 HG2 PRO A 3 19.841 14.990 2.599 1.00 0.00 H new ATOM 0 HG3 PRO A 3 19.777 15.025 4.350 1.00 0.00 H new ATOM 0 HD2 PRO A 3 19.448 12.691 2.952 1.00 0.00 H new ATOM 0 HD3 PRO A 3 18.651 12.959 4.490 1.00 0.00 H new ATOM 36 N GLY A 4 15.734 15.911 0.941 1.00 0.00 N ATOM 37 CA GLY A 4 15.167 16.060 -0.389 1.00 0.00 C ATOM 38 C GLY A 4 13.716 16.500 -0.287 1.00 0.00 C ATOM 39 O GLY A 4 13.250 16.880 0.795 1.00 0.00 O ATOM 0 H GLY A 4 15.322 16.531 1.638 1.00 0.00 H new ATOM 0 HA2 GLY A 4 15.739 16.793 -0.958 1.00 0.00 H new ATOM 0 HA3 GLY A 4 15.233 15.116 -0.930 1.00 0.00 H new ATOM 43 N GLY A 5 13.020 16.445 -1.415 1.00 0.00 N ATOM 44 CA GLY A 5 11.676 16.958 -1.575 1.00 0.00 C ATOM 45 C GLY A 5 10.621 16.089 -0.901 1.00 0.00 C ATOM 46 O GLY A 5 10.914 15.195 -0.103 1.00 0.00 O ATOM 0 H GLY A 5 13.392 16.028 -2.268 1.00 0.00 H new ATOM 0 HA2 GLY A 5 11.626 17.966 -1.162 1.00 0.00 H new ATOM 0 HA3 GLY A 5 11.448 17.038 -2.638 1.00 0.00 H new ATOM 50 N LYS A 6 9.353 16.390 -1.185 1.00 0.00 N ATOM 51 CA LYS A 6 8.207 15.825 -0.479 1.00 0.00 C ATOM 52 C LYS A 6 7.321 15.095 -1.493 1.00 0.00 C ATOM 53 O LYS A 6 7.433 15.323 -2.699 1.00 0.00 O ATOM 54 CB LYS A 6 7.469 16.963 0.264 1.00 0.00 C ATOM 55 CG LYS A 6 8.373 17.791 1.213 1.00 0.00 C ATOM 56 CD LYS A 6 7.645 19.031 1.765 1.00 0.00 C ATOM 57 CE LYS A 6 8.612 20.162 2.167 1.00 0.00 C ATOM 58 NZ LYS A 6 9.206 20.020 3.513 1.00 0.00 N ATOM 0 H LYS A 6 9.092 17.043 -1.923 1.00 0.00 H new ATOM 0 HA LYS A 6 8.512 15.096 0.271 1.00 0.00 H new ATOM 0 HB2 LYS A 6 7.023 17.633 -0.471 1.00 0.00 H new ATOM 0 HB3 LYS A 6 6.651 16.534 0.842 1.00 0.00 H new ATOM 0 HG2 LYS A 6 8.700 17.163 2.042 1.00 0.00 H new ATOM 0 HG3 LYS A 6 9.269 18.105 0.678 1.00 0.00 H new ATOM 0 HD2 LYS A 6 6.950 19.404 1.012 1.00 0.00 H new ATOM 0 HD3 LYS A 6 7.051 18.742 2.632 1.00 0.00 H new ATOM 0 HE2 LYS A 6 9.417 20.211 1.433 1.00 0.00 H new ATOM 0 HE3 LYS A 6 8.079 21.111 2.119 1.00 0.00 H new ATOM 0 HZ1 LYS A 6 9.841 20.822 3.699 1.00 0.00 H new ATOM 0 HZ2 LYS A 6 8.449 20.005 4.226 1.00 0.00 H new ATOM 0 HZ3 LYS A 6 9.746 19.133 3.562 1.00 0.00 H new ATOM 72 N SER A 7 6.437 14.212 -1.025 1.00 0.00 N ATOM 73 CA SER A 7 5.455 13.526 -1.859 1.00 0.00 C ATOM 74 C SER A 7 4.297 13.071 -0.969 1.00 0.00 C ATOM 75 O SER A 7 4.492 12.247 -0.066 1.00 0.00 O ATOM 76 CB SER A 7 6.116 12.351 -2.597 1.00 0.00 C ATOM 77 OG SER A 7 5.247 11.811 -3.580 1.00 0.00 O ATOM 0 H SER A 7 6.384 13.951 -0.040 1.00 0.00 H new ATOM 0 HA SER A 7 5.063 14.198 -2.623 1.00 0.00 H new ATOM 0 HB2 SER A 7 7.039 12.687 -3.069 1.00 0.00 H new ATOM 0 HB3 SER A 7 6.388 11.575 -1.882 1.00 0.00 H new ATOM 0 HG SER A 7 5.536 10.903 -3.808 1.00 0.00 H new ATOM 83 N ARG A 8 3.088 13.583 -1.213 1.00 0.00 N ATOM 84 CA ARG A 8 1.890 13.327 -0.403 1.00 0.00 C ATOM 85 C ARG A 8 0.668 12.983 -1.283 1.00 0.00 C ATOM 86 O ARG A 8 -0.472 13.173 -0.869 1.00 0.00 O ATOM 87 CB ARG A 8 1.689 14.554 0.522 1.00 0.00 C ATOM 88 CG ARG A 8 0.756 14.407 1.747 1.00 0.00 C ATOM 89 CD ARG A 8 1.289 13.571 2.921 1.00 0.00 C ATOM 90 NE ARG A 8 2.465 14.186 3.554 1.00 0.00 N ATOM 91 CZ ARG A 8 2.887 14.041 4.817 1.00 0.00 C ATOM 92 NH1 ARG A 8 2.223 13.317 5.722 1.00 0.00 N ATOM 93 NH2 ARG A 8 4.017 14.650 5.143 1.00 0.00 N ATOM 0 H ARG A 8 2.908 14.205 -2.001 1.00 0.00 H new ATOM 0 HA ARG A 8 2.015 12.442 0.221 1.00 0.00 H new ATOM 0 HB2 ARG A 8 2.670 14.859 0.887 1.00 0.00 H new ATOM 0 HB3 ARG A 8 1.308 15.372 -0.089 1.00 0.00 H new ATOM 0 HG2 ARG A 8 0.521 15.405 2.118 1.00 0.00 H new ATOM 0 HG3 ARG A 8 -0.181 13.963 1.410 1.00 0.00 H new ATOM 0 HD2 ARG A 8 0.501 13.448 3.664 1.00 0.00 H new ATOM 0 HD3 ARG A 8 1.550 12.574 2.566 1.00 0.00 H new ATOM 0 HE ARG A 8 3.027 14.796 2.960 1.00 0.00 H new ATOM 0 HH11 ARG A 8 1.356 12.846 5.462 1.00 0.00 H new ATOM 0 HH12 ARG A 8 2.583 13.235 6.673 1.00 0.00 H new ATOM 0 HH21 ARG A 8 4.521 15.197 4.445 1.00 0.00 H new ATOM 0 HH22 ARG A 8 4.383 14.572 6.092 1.00 0.00 H new ATOM 107 N ARG A 9 0.869 12.502 -2.516 1.00 0.00 N ATOM 108 CA ARG A 9 -0.132 12.549 -3.601 1.00 0.00 C ATOM 109 C ARG A 9 -1.306 11.557 -3.530 1.00 0.00 C ATOM 110 O ARG A 9 -1.826 11.142 -4.563 1.00 0.00 O ATOM 111 CB ARG A 9 0.570 12.563 -4.973 1.00 0.00 C ATOM 112 CG ARG A 9 1.218 11.246 -5.424 1.00 0.00 C ATOM 113 CD ARG A 9 1.508 11.328 -6.929 1.00 0.00 C ATOM 114 NE ARG A 9 2.073 10.069 -7.448 1.00 0.00 N ATOM 115 CZ ARG A 9 2.267 9.739 -8.735 1.00 0.00 C ATOM 116 NH1 ARG A 9 2.005 10.606 -9.711 1.00 0.00 N ATOM 117 NH2 ARG A 9 2.731 8.531 -9.039 1.00 0.00 N ATOM 0 H ARG A 9 1.745 12.061 -2.797 1.00 0.00 H new ATOM 0 HA ARG A 9 -0.655 13.493 -3.446 1.00 0.00 H new ATOM 0 HB2 ARG A 9 -0.159 12.860 -5.727 1.00 0.00 H new ATOM 0 HB3 ARG A 9 1.341 13.334 -4.954 1.00 0.00 H new ATOM 0 HG2 ARG A 9 2.141 11.070 -4.871 1.00 0.00 H new ATOM 0 HG3 ARG A 9 0.555 10.407 -5.212 1.00 0.00 H new ATOM 0 HD2 ARG A 9 0.587 11.561 -7.464 1.00 0.00 H new ATOM 0 HD3 ARG A 9 2.204 12.145 -7.121 1.00 0.00 H new ATOM 0 HE ARG A 9 2.346 9.373 -6.754 1.00 0.00 H new ATOM 0 HH11 ARG A 9 1.652 11.536 -9.486 1.00 0.00 H new ATOM 0 HH12 ARG A 9 2.158 10.340 -10.684 1.00 0.00 H new ATOM 0 HH21 ARG A 9 2.937 7.862 -8.297 1.00 0.00 H new ATOM 0 HH22 ARG A 9 2.881 8.273 -10.014 1.00 0.00 H new ATOM 131 N ARG A 10 -1.745 11.158 -2.338 1.00 0.00 N ATOM 132 CA ARG A 10 -2.677 10.058 -2.087 1.00 0.00 C ATOM 133 C ARG A 10 -4.140 10.330 -2.484 1.00 0.00 C ATOM 134 O ARG A 10 -5.038 10.204 -1.658 1.00 0.00 O ATOM 135 CB ARG A 10 -2.547 9.629 -0.614 1.00 0.00 C ATOM 136 CG ARG A 10 -2.994 10.652 0.456 1.00 0.00 C ATOM 137 CD ARG A 10 -3.210 9.933 1.789 1.00 0.00 C ATOM 138 NE ARG A 10 -3.587 10.866 2.859 1.00 0.00 N ATOM 139 CZ ARG A 10 -4.052 10.519 4.062 1.00 0.00 C ATOM 140 NH1 ARG A 10 -4.176 9.236 4.398 1.00 0.00 N ATOM 141 NH2 ARG A 10 -4.374 11.482 4.910 1.00 0.00 N ATOM 0 H ARG A 10 -1.446 11.616 -1.477 1.00 0.00 H new ATOM 0 HA ARG A 10 -2.390 9.242 -2.750 1.00 0.00 H new ATOM 0 HB2 ARG A 10 -3.127 8.717 -0.474 1.00 0.00 H new ATOM 0 HB3 ARG A 10 -1.504 9.375 -0.426 1.00 0.00 H new ATOM 0 HG2 ARG A 10 -2.239 11.430 0.568 1.00 0.00 H new ATOM 0 HG3 ARG A 10 -3.915 11.144 0.142 1.00 0.00 H new ATOM 0 HD2 ARG A 10 -3.989 9.179 1.673 1.00 0.00 H new ATOM 0 HD3 ARG A 10 -2.297 9.407 2.070 1.00 0.00 H new ATOM 0 HE ARG A 10 -3.485 11.863 2.667 1.00 0.00 H new ATOM 0 HH11 ARG A 10 -3.915 8.507 3.734 1.00 0.00 H new ATOM 0 HH12 ARG A 10 -4.532 8.982 5.319 1.00 0.00 H new ATOM 0 HH21 ARG A 10 -4.265 12.459 4.638 1.00 0.00 H new ATOM 0 HH22 ARG A 10 -4.732 11.248 5.836 1.00 0.00 H new ATOM 155 N ARG A 11 -4.450 10.634 -3.747 1.00 0.00 N ATOM 156 CA ARG A 11 -5.839 10.848 -4.187 1.00 0.00 C ATOM 157 C ARG A 11 -6.590 9.518 -4.362 1.00 0.00 C ATOM 158 O ARG A 11 -7.181 9.258 -5.413 1.00 0.00 O ATOM 159 CB ARG A 11 -5.906 11.748 -5.435 1.00 0.00 C ATOM 160 CG ARG A 11 -5.143 13.069 -5.242 1.00 0.00 C ATOM 161 CD ARG A 11 -5.630 14.149 -6.210 1.00 0.00 C ATOM 162 NE ARG A 11 -6.866 14.791 -5.726 1.00 0.00 N ATOM 163 CZ ARG A 11 -7.686 15.574 -6.438 1.00 0.00 C ATOM 164 NH1 ARG A 11 -7.479 15.782 -7.728 1.00 0.00 N ATOM 165 NH2 ARG A 11 -8.715 16.170 -5.855 1.00 0.00 N ATOM 0 H ARG A 11 -3.758 10.739 -4.489 1.00 0.00 H new ATOM 0 HA ARG A 11 -6.359 11.387 -3.395 1.00 0.00 H new ATOM 0 HB2 ARG A 11 -5.491 11.213 -6.289 1.00 0.00 H new ATOM 0 HB3 ARG A 11 -6.948 11.964 -5.669 1.00 0.00 H new ATOM 0 HG2 ARG A 11 -5.269 13.416 -4.216 1.00 0.00 H new ATOM 0 HG3 ARG A 11 -4.077 12.899 -5.392 1.00 0.00 H new ATOM 0 HD2 ARG A 11 -4.853 14.903 -6.337 1.00 0.00 H new ATOM 0 HD3 ARG A 11 -5.808 13.707 -7.190 1.00 0.00 H new ATOM 0 HE ARG A 11 -7.121 14.622 -4.753 1.00 0.00 H new ATOM 0 HH11 ARG A 11 -6.685 15.343 -8.194 1.00 0.00 H new ATOM 0 HH12 ARG A 11 -8.113 16.381 -8.256 1.00 0.00 H new ATOM 0 HH21 ARG A 11 -8.886 16.034 -4.859 1.00 0.00 H new ATOM 0 HH22 ARG A 11 -9.337 16.765 -6.402 1.00 0.00 H new ATOM 179 N THR A 12 -6.526 8.630 -3.375 1.00 0.00 N ATOM 180 CA THR A 12 -7.239 7.362 -3.341 1.00 0.00 C ATOM 181 C THR A 12 -8.684 7.624 -2.899 1.00 0.00 C ATOM 182 O THR A 12 -8.932 8.593 -2.165 1.00 0.00 O ATOM 183 CB THR A 12 -6.508 6.410 -2.366 1.00 0.00 C ATOM 184 OG1 THR A 12 -5.096 6.514 -2.483 1.00 0.00 O ATOM 185 CG2 THR A 12 -6.886 4.959 -2.612 1.00 0.00 C ATOM 0 H THR A 12 -5.953 8.782 -2.545 1.00 0.00 H new ATOM 0 HA THR A 12 -7.262 6.893 -4.325 1.00 0.00 H new ATOM 0 HB THR A 12 -6.819 6.714 -1.367 1.00 0.00 H new ATOM 0 HG1 THR A 12 -4.669 5.899 -1.850 1.00 0.00 H new ATOM 0 HG21 THR A 12 -6.353 4.320 -1.908 1.00 0.00 H new ATOM 0 HG22 THR A 12 -7.960 4.834 -2.474 1.00 0.00 H new ATOM 0 HG23 THR A 12 -6.617 4.681 -3.631 1.00 0.00 H new ATOM 193 N ALA A 13 -9.636 6.772 -3.281 1.00 0.00 N ATOM 194 CA ALA A 13 -11.050 6.971 -2.974 1.00 0.00 C ATOM 195 C ALA A 13 -11.494 6.333 -1.657 1.00 0.00 C ATOM 196 O ALA A 13 -12.660 6.394 -1.280 1.00 0.00 O ATOM 197 CB ALA A 13 -11.886 6.487 -4.148 1.00 0.00 C ATOM 0 H ALA A 13 -9.446 5.923 -3.813 1.00 0.00 H new ATOM 0 HA ALA A 13 -11.207 8.039 -2.825 1.00 0.00 H new ATOM 0 HB1 ALA A 13 -12.943 6.632 -3.926 1.00 0.00 H new ATOM 0 HB2 ALA A 13 -11.621 7.053 -5.041 1.00 0.00 H new ATOM 0 HB3 ALA A 13 -11.694 5.428 -4.320 1.00 0.00 H new ATOM 203 N PHE A 14 -10.547 5.752 -0.936 1.00 0.00 N ATOM 204 CA PHE A 14 -10.790 5.004 0.290 1.00 0.00 C ATOM 205 C PHE A 14 -10.814 5.921 1.503 1.00 0.00 C ATOM 206 O PHE A 14 -10.430 7.093 1.442 1.00 0.00 O ATOM 207 CB PHE A 14 -9.705 3.942 0.501 1.00 0.00 C ATOM 208 CG PHE A 14 -9.535 2.909 -0.581 1.00 0.00 C ATOM 209 CD1 PHE A 14 -10.633 2.198 -1.098 1.00 0.00 C ATOM 210 CD2 PHE A 14 -8.238 2.580 -0.995 1.00 0.00 C ATOM 211 CE1 PHE A 14 -10.421 1.185 -2.046 1.00 0.00 C ATOM 212 CE2 PHE A 14 -8.032 1.616 -1.986 1.00 0.00 C ATOM 213 CZ PHE A 14 -9.119 0.888 -2.488 1.00 0.00 C ATOM 0 H PHE A 14 -9.561 5.788 -1.194 1.00 0.00 H new ATOM 0 HA PHE A 14 -11.763 4.524 0.184 1.00 0.00 H new ATOM 0 HB2 PHE A 14 -8.752 4.454 0.632 1.00 0.00 H new ATOM 0 HB3 PHE A 14 -9.918 3.422 1.435 1.00 0.00 H new ATOM 0 HD1 PHE A 14 -11.634 2.430 -0.767 1.00 0.00 H new ATOM 0 HD2 PHE A 14 -7.390 3.075 -0.545 1.00 0.00 H new ATOM 0 HE1 PHE A 14 -11.261 0.631 -2.438 1.00 0.00 H new ATOM 0 HE2 PHE A 14 -7.037 1.433 -2.364 1.00 0.00 H new ATOM 0 HZ PHE A 14 -8.958 0.102 -3.211 1.00 0.00 H new ATOM 223 N THR A 15 -11.204 5.366 2.635 1.00 0.00 N ATOM 224 CA THR A 15 -11.351 6.026 3.916 1.00 0.00 C ATOM 225 C THR A 15 -10.041 5.863 4.704 1.00 0.00 C ATOM 226 O THR A 15 -9.087 5.248 4.220 1.00 0.00 O ATOM 227 CB THR A 15 -12.559 5.379 4.616 1.00 0.00 C ATOM 228 OG1 THR A 15 -12.216 4.043 4.877 1.00 0.00 O ATOM 229 CG2 THR A 15 -13.827 5.422 3.754 1.00 0.00 C ATOM 0 H THR A 15 -11.442 4.375 2.686 1.00 0.00 H new ATOM 0 HA THR A 15 -11.535 7.097 3.825 1.00 0.00 H new ATOM 0 HB THR A 15 -12.782 5.932 5.529 1.00 0.00 H new ATOM 0 HG1 THR A 15 -12.963 3.595 5.326 1.00 0.00 H new ATOM 0 HG21 THR A 15 -14.650 4.953 4.294 1.00 0.00 H new ATOM 0 HG22 THR A 15 -14.082 6.459 3.533 1.00 0.00 H new ATOM 0 HG23 THR A 15 -13.652 4.885 2.822 1.00 0.00 H new ATOM 237 N SER A 16 -9.955 6.408 5.915 1.00 0.00 N ATOM 238 CA SER A 16 -8.887 6.070 6.850 1.00 0.00 C ATOM 239 C SER A 16 -9.244 4.747 7.540 1.00 0.00 C ATOM 240 O SER A 16 -8.384 3.893 7.735 1.00 0.00 O ATOM 241 CB SER A 16 -8.689 7.263 7.799 1.00 0.00 C ATOM 242 OG SER A 16 -8.048 6.934 9.018 1.00 0.00 O ATOM 0 H SER A 16 -10.620 7.093 6.274 1.00 0.00 H new ATOM 0 HA SER A 16 -7.927 5.903 6.361 1.00 0.00 H new ATOM 0 HB2 SER A 16 -8.103 8.026 7.288 1.00 0.00 H new ATOM 0 HB3 SER A 16 -9.662 7.703 8.020 1.00 0.00 H new ATOM 0 HG SER A 16 -7.956 7.740 9.567 1.00 0.00 H new ATOM 248 N GLU A 17 -10.522 4.528 7.867 1.00 0.00 N ATOM 249 CA GLU A 17 -10.981 3.342 8.590 1.00 0.00 C ATOM 250 C GLU A 17 -10.862 2.030 7.801 1.00 0.00 C ATOM 251 O GLU A 17 -11.087 0.969 8.383 1.00 0.00 O ATOM 252 CB GLU A 17 -12.434 3.548 9.046 1.00 0.00 C ATOM 253 CG GLU A 17 -12.574 4.008 10.505 1.00 0.00 C ATOM 254 CD GLU A 17 -14.003 3.758 11.002 1.00 0.00 C ATOM 255 OE1 GLU A 17 -14.903 4.568 10.665 1.00 0.00 O ATOM 256 OE2 GLU A 17 -14.238 2.699 11.630 1.00 0.00 O ATOM 0 H GLU A 17 -11.273 5.177 7.634 1.00 0.00 H new ATOM 0 HA GLU A 17 -10.314 3.233 9.446 1.00 0.00 H new ATOM 0 HB2 GLU A 17 -12.906 4.285 8.397 1.00 0.00 H new ATOM 0 HB3 GLU A 17 -12.980 2.614 8.917 1.00 0.00 H new ATOM 0 HG2 GLU A 17 -11.863 3.471 11.133 1.00 0.00 H new ATOM 0 HG3 GLU A 17 -12.333 5.068 10.585 1.00 0.00 H new ATOM 263 N GLN A 18 -10.548 2.068 6.505 1.00 0.00 N ATOM 264 CA GLN A 18 -10.422 0.873 5.663 1.00 0.00 C ATOM 265 C GLN A 18 -8.997 0.641 5.175 1.00 0.00 C ATOM 266 O GLN A 18 -8.674 -0.461 4.744 1.00 0.00 O ATOM 267 CB GLN A 18 -11.455 0.948 4.538 1.00 0.00 C ATOM 268 CG GLN A 18 -11.040 1.568 3.201 1.00 0.00 C ATOM 269 CD GLN A 18 -12.284 1.879 2.363 1.00 0.00 C ATOM 270 OE1 GLN A 18 -12.436 2.966 1.830 1.00 0.00 O ATOM 271 NE2 GLN A 18 -13.240 0.976 2.232 1.00 0.00 N ATOM 0 H GLN A 18 -10.372 2.938 6.003 1.00 0.00 H new ATOM 0 HA GLN A 18 -10.638 -0.011 6.262 1.00 0.00 H new ATOM 0 HB2 GLN A 18 -11.802 -0.066 4.339 1.00 0.00 H new ATOM 0 HB3 GLN A 18 -12.311 1.510 4.912 1.00 0.00 H new ATOM 0 HG2 GLN A 18 -10.470 2.481 3.375 1.00 0.00 H new ATOM 0 HG3 GLN A 18 -10.388 0.883 2.659 1.00 0.00 H new ATOM 0 HE21 GLN A 18 -13.139 0.059 2.667 1.00 0.00 H new ATOM 0 HE22 GLN A 18 -14.079 1.196 1.696 1.00 0.00 H new ATOM 280 N LEU A 19 -8.153 1.656 5.313 1.00 0.00 N ATOM 281 CA LEU A 19 -6.704 1.605 5.097 1.00 0.00 C ATOM 282 C LEU A 19 -5.947 0.875 6.217 1.00 0.00 C ATOM 283 O LEU A 19 -4.741 0.675 6.078 1.00 0.00 O ATOM 284 CB LEU A 19 -6.160 3.045 4.965 1.00 0.00 C ATOM 285 CG LEU A 19 -5.889 3.547 3.533 1.00 0.00 C ATOM 286 CD1 LEU A 19 -6.956 3.196 2.497 1.00 0.00 C ATOM 287 CD2 LEU A 19 -5.692 5.067 3.571 1.00 0.00 C ATOM 0 H LEU A 19 -8.471 2.584 5.592 1.00 0.00 H new ATOM 0 HA LEU A 19 -6.538 1.036 4.182 1.00 0.00 H new ATOM 0 HB2 LEU A 19 -6.871 3.723 5.436 1.00 0.00 H new ATOM 0 HB3 LEU A 19 -5.232 3.113 5.532 1.00 0.00 H new ATOM 0 HG LEU A 19 -4.993 3.023 3.201 1.00 0.00 H new ATOM 0 HD11 LEU A 19 -6.666 3.597 1.526 1.00 0.00 H new ATOM 0 HD12 LEU A 19 -7.054 2.113 2.428 1.00 0.00 H new ATOM 0 HD13 LEU A 19 -7.911 3.628 2.797 1.00 0.00 H new ATOM 0 HD21 LEU A 19 -5.499 5.434 2.563 1.00 0.00 H new ATOM 0 HD22 LEU A 19 -6.592 5.541 3.964 1.00 0.00 H new ATOM 0 HD23 LEU A 19 -4.845 5.308 4.213 1.00 0.00 H new ATOM 299 N LEU A 20 -6.589 0.517 7.327 1.00 0.00 N ATOM 300 CA LEU A 20 -5.912 0.125 8.557 1.00 0.00 C ATOM 301 C LEU A 20 -5.231 -1.238 8.434 1.00 0.00 C ATOM 302 O LEU A 20 -4.002 -1.302 8.428 1.00 0.00 O ATOM 303 CB LEU A 20 -6.898 0.190 9.740 1.00 0.00 C ATOM 304 CG LEU A 20 -6.352 1.095 10.857 1.00 0.00 C ATOM 305 CD1 LEU A 20 -7.466 1.355 11.865 1.00 0.00 C ATOM 306 CD2 LEU A 20 -5.162 0.475 11.592 1.00 0.00 C ATOM 0 H LEU A 20 -7.606 0.491 7.396 1.00 0.00 H new ATOM 0 HA LEU A 20 -5.107 0.835 8.749 1.00 0.00 H new ATOM 0 HB2 LEU A 20 -7.861 0.569 9.397 1.00 0.00 H new ATOM 0 HB3 LEU A 20 -7.071 -0.813 10.130 1.00 0.00 H new ATOM 0 HG LEU A 20 -6.007 2.018 10.391 1.00 0.00 H new ATOM 0 HD11 LEU A 20 -7.092 1.996 12.663 1.00 0.00 H new ATOM 0 HD12 LEU A 20 -8.301 1.847 11.366 1.00 0.00 H new ATOM 0 HD13 LEU A 20 -7.803 0.408 12.288 1.00 0.00 H new ATOM 0 HD21 LEU A 20 -4.818 1.158 12.369 1.00 0.00 H new ATOM 0 HD22 LEU A 20 -5.466 -0.468 12.046 1.00 0.00 H new ATOM 0 HD23 LEU A 20 -4.352 0.293 10.885 1.00 0.00 H new ATOM 318 N GLU A 21 -6.007 -2.320 8.336 1.00 0.00 N ATOM 319 CA GLU A 21 -5.470 -3.683 8.263 1.00 0.00 C ATOM 320 C GLU A 21 -4.740 -3.934 6.929 1.00 0.00 C ATOM 321 O GLU A 21 -3.793 -4.715 6.877 1.00 0.00 O ATOM 322 CB GLU A 21 -6.521 -4.747 8.644 1.00 0.00 C ATOM 323 CG GLU A 21 -7.949 -4.497 8.145 1.00 0.00 C ATOM 324 CD GLU A 21 -8.923 -5.605 8.556 1.00 0.00 C ATOM 325 OE1 GLU A 21 -9.064 -6.617 7.838 1.00 0.00 O ATOM 326 OE2 GLU A 21 -9.587 -5.429 9.607 1.00 0.00 O ATOM 0 H GLU A 21 -7.026 -2.277 8.305 1.00 0.00 H new ATOM 0 HA GLU A 21 -4.700 -3.786 9.027 1.00 0.00 H new ATOM 0 HB2 GLU A 21 -6.188 -5.711 8.260 1.00 0.00 H new ATOM 0 HB3 GLU A 21 -6.547 -4.829 9.731 1.00 0.00 H new ATOM 0 HG2 GLU A 21 -8.304 -3.544 8.536 1.00 0.00 H new ATOM 0 HG3 GLU A 21 -7.940 -4.412 7.058 1.00 0.00 H new ATOM 333 N LEU A 22 -5.039 -3.130 5.901 1.00 0.00 N ATOM 334 CA LEU A 22 -4.257 -3.028 4.667 1.00 0.00 C ATOM 335 C LEU A 22 -2.784 -2.766 4.968 1.00 0.00 C ATOM 336 O LEU A 22 -1.916 -3.383 4.354 1.00 0.00 O ATOM 337 CB LEU A 22 -4.805 -1.867 3.817 1.00 0.00 C ATOM 338 CG LEU A 22 -5.546 -2.313 2.555 1.00 0.00 C ATOM 339 CD1 LEU A 22 -6.549 -1.221 2.191 1.00 0.00 C ATOM 340 CD2 LEU A 22 -4.644 -2.603 1.357 1.00 0.00 C ATOM 0 H LEU A 22 -5.854 -2.517 5.907 1.00 0.00 H new ATOM 0 HA LEU A 22 -4.340 -3.972 4.129 1.00 0.00 H new ATOM 0 HB2 LEU A 22 -5.480 -1.269 4.430 1.00 0.00 H new ATOM 0 HB3 LEU A 22 -3.977 -1.219 3.529 1.00 0.00 H new ATOM 0 HG LEU A 22 -6.031 -3.262 2.785 1.00 0.00 H new ATOM 0 HD11 LEU A 22 -7.094 -1.512 1.293 1.00 0.00 H new ATOM 0 HD12 LEU A 22 -7.252 -1.084 3.013 1.00 0.00 H new ATOM 0 HD13 LEU A 22 -6.019 -0.287 2.007 1.00 0.00 H new ATOM 0 HD21 LEU A 22 -5.254 -2.912 0.508 1.00 0.00 H new ATOM 0 HD22 LEU A 22 -4.087 -1.704 1.095 1.00 0.00 H new ATOM 0 HD23 LEU A 22 -3.946 -3.401 1.612 1.00 0.00 H new ATOM 352 N GLU A 23 -2.493 -1.829 5.876 1.00 0.00 N ATOM 353 CA GLU A 23 -1.116 -1.583 6.281 1.00 0.00 C ATOM 354 C GLU A 23 -0.601 -2.662 7.225 1.00 0.00 C ATOM 355 O GLU A 23 0.607 -2.870 7.279 1.00 0.00 O ATOM 356 CB GLU A 23 -0.970 -0.248 7.007 1.00 0.00 C ATOM 357 CG GLU A 23 -1.079 0.982 6.103 1.00 0.00 C ATOM 358 CD GLU A 23 -0.022 2.020 6.472 1.00 0.00 C ATOM 359 OE1 GLU A 23 0.091 2.381 7.667 1.00 0.00 O ATOM 360 OE2 GLU A 23 0.745 2.413 5.558 1.00 0.00 O ATOM 0 H GLU A 23 -3.186 -1.238 6.336 1.00 0.00 H new ATOM 0 HA GLU A 23 -0.537 -1.580 5.357 1.00 0.00 H new ATOM 0 HB2 GLU A 23 -1.736 -0.184 7.780 1.00 0.00 H new ATOM 0 HB3 GLU A 23 -0.004 -0.227 7.512 1.00 0.00 H new ATOM 0 HG2 GLU A 23 -0.956 0.686 5.061 1.00 0.00 H new ATOM 0 HG3 GLU A 23 -2.073 1.420 6.195 1.00 0.00 H new ATOM 367 N LYS A 24 -1.459 -3.315 8.009 1.00 0.00 N ATOM 368 CA LYS A 24 -1.025 -4.364 8.926 1.00 0.00 C ATOM 369 C LYS A 24 -0.375 -5.480 8.122 1.00 0.00 C ATOM 370 O LYS A 24 0.769 -5.839 8.400 1.00 0.00 O ATOM 371 CB LYS A 24 -2.213 -4.834 9.777 1.00 0.00 C ATOM 372 CG LYS A 24 -1.839 -5.900 10.810 1.00 0.00 C ATOM 373 CD LYS A 24 -2.989 -6.060 11.815 1.00 0.00 C ATOM 374 CE LYS A 24 -2.662 -7.045 12.941 1.00 0.00 C ATOM 375 NZ LYS A 24 -2.783 -8.459 12.536 1.00 0.00 N ATOM 0 H LYS A 24 -2.463 -3.133 8.026 1.00 0.00 H new ATOM 0 HA LYS A 24 -0.277 -3.991 9.626 1.00 0.00 H new ATOM 0 HB2 LYS A 24 -2.643 -3.975 10.292 1.00 0.00 H new ATOM 0 HB3 LYS A 24 -2.986 -5.232 9.120 1.00 0.00 H new ATOM 0 HG2 LYS A 24 -1.640 -6.850 10.313 1.00 0.00 H new ATOM 0 HG3 LYS A 24 -0.924 -5.614 11.329 1.00 0.00 H new ATOM 0 HD2 LYS A 24 -3.226 -5.088 12.247 1.00 0.00 H new ATOM 0 HD3 LYS A 24 -3.881 -6.400 11.288 1.00 0.00 H new ATOM 0 HE2 LYS A 24 -1.646 -6.861 13.291 1.00 0.00 H new ATOM 0 HE3 LYS A 24 -3.329 -6.857 13.783 1.00 0.00 H new ATOM 0 HZ1 LYS A 24 -2.549 -9.072 13.342 1.00 0.00 H new ATOM 0 HZ2 LYS A 24 -3.758 -8.650 12.228 1.00 0.00 H new ATOM 0 HZ3 LYS A 24 -2.128 -8.653 11.752 1.00 0.00 H new ATOM 389 N GLU A 25 -1.069 -5.967 7.103 1.00 0.00 N ATOM 390 CA GLU A 25 -0.573 -7.013 6.230 1.00 0.00 C ATOM 391 C GLU A 25 0.575 -6.527 5.366 1.00 0.00 C ATOM 392 O GLU A 25 1.648 -7.130 5.373 1.00 0.00 O ATOM 393 CB GLU A 25 -1.740 -7.531 5.380 1.00 0.00 C ATOM 394 CG GLU A 25 -2.227 -8.880 5.894 1.00 0.00 C ATOM 395 CD GLU A 25 -2.360 -8.951 7.421 1.00 0.00 C ATOM 396 OE1 GLU A 25 -3.265 -8.310 7.997 1.00 0.00 O ATOM 397 OE2 GLU A 25 -1.512 -9.654 8.031 1.00 0.00 O ATOM 0 H GLU A 25 -2.004 -5.640 6.859 1.00 0.00 H new ATOM 0 HA GLU A 25 -0.173 -7.828 6.834 1.00 0.00 H new ATOM 0 HB2 GLU A 25 -2.559 -6.812 5.401 1.00 0.00 H new ATOM 0 HB3 GLU A 25 -1.425 -7.625 4.341 1.00 0.00 H new ATOM 0 HG2 GLU A 25 -3.195 -9.102 5.444 1.00 0.00 H new ATOM 0 HG3 GLU A 25 -1.536 -9.655 5.563 1.00 0.00 H new ATOM 404 N PHE A 26 0.373 -5.439 4.620 1.00 0.00 N ATOM 405 CA PHE A 26 1.354 -5.001 3.631 1.00 0.00 C ATOM 406 C PHE A 26 2.630 -4.448 4.284 1.00 0.00 C ATOM 407 O PHE A 26 3.593 -4.140 3.578 1.00 0.00 O ATOM 408 CB PHE A 26 0.709 -4.000 2.663 1.00 0.00 C ATOM 409 CG PHE A 26 1.363 -3.931 1.294 1.00 0.00 C ATOM 410 CD1 PHE A 26 1.106 -4.942 0.348 1.00 0.00 C ATOM 411 CD2 PHE A 26 2.175 -2.839 0.935 1.00 0.00 C ATOM 412 CE1 PHE A 26 1.629 -4.847 -0.953 1.00 0.00 C ATOM 413 CE2 PHE A 26 2.695 -2.740 -0.368 1.00 0.00 C ATOM 414 CZ PHE A 26 2.412 -3.739 -1.318 1.00 0.00 C ATOM 0 H PHE A 26 -0.457 -4.849 4.683 1.00 0.00 H new ATOM 0 HA PHE A 26 1.673 -5.870 3.056 1.00 0.00 H new ATOM 0 HB2 PHE A 26 -0.341 -4.263 2.536 1.00 0.00 H new ATOM 0 HB3 PHE A 26 0.737 -3.008 3.115 1.00 0.00 H new ATOM 0 HD1 PHE A 26 0.504 -5.795 0.624 1.00 0.00 H new ATOM 0 HD2 PHE A 26 2.400 -2.074 1.663 1.00 0.00 H new ATOM 0 HE1 PHE A 26 1.429 -5.627 -1.673 1.00 0.00 H new ATOM 0 HE2 PHE A 26 3.312 -1.896 -0.640 1.00 0.00 H new ATOM 0 HZ PHE A 26 2.795 -3.654 -2.324 1.00 0.00 H new ATOM 424 N HIS A 27 2.651 -4.320 5.616 1.00 0.00 N ATOM 425 CA HIS A 27 3.865 -4.051 6.370 1.00 0.00 C ATOM 426 C HIS A 27 4.742 -5.303 6.388 1.00 0.00 C ATOM 427 O HIS A 27 5.931 -5.212 6.085 1.00 0.00 O ATOM 428 CB HIS A 27 3.534 -3.607 7.803 1.00 0.00 C ATOM 429 CG HIS A 27 4.755 -3.478 8.671 1.00 0.00 C ATOM 430 ND1 HIS A 27 5.773 -2.560 8.519 1.00 0.00 N ATOM 431 CD2 HIS A 27 5.095 -4.329 9.685 1.00 0.00 C ATOM 432 CE1 HIS A 27 6.721 -2.855 9.423 1.00 0.00 C ATOM 433 NE2 HIS A 27 6.351 -3.923 10.156 1.00 0.00 N ATOM 0 H HIS A 27 1.817 -4.402 6.198 1.00 0.00 H new ATOM 0 HA HIS A 27 4.407 -3.238 5.886 1.00 0.00 H new ATOM 0 HB2 HIS A 27 3.014 -2.649 7.771 1.00 0.00 H new ATOM 0 HB3 HIS A 27 2.849 -4.326 8.252 1.00 0.00 H new ATOM 0 HD2 HIS A 27 4.507 -5.157 10.053 1.00 0.00 H new ATOM 0 HE1 HIS A 27 7.647 -2.314 9.545 1.00 0.00 H new ATOM 0 HE2 HIS A 27 6.884 -4.355 10.911 1.00 0.00 H new ATOM 441 N CYS A 28 4.169 -6.440 6.787 1.00 0.00 N ATOM 442 CA CYS A 28 4.865 -7.702 6.962 1.00 0.00 C ATOM 443 C CYS A 28 5.213 -8.290 5.597 1.00 0.00 C ATOM 444 O CYS A 28 6.374 -8.583 5.306 1.00 0.00 O ATOM 445 CB CYS A 28 3.951 -8.654 7.752 1.00 0.00 C ATOM 446 SG CYS A 28 3.678 -7.982 9.416 1.00 0.00 S ATOM 0 H CYS A 28 3.174 -6.502 7.003 1.00 0.00 H new ATOM 0 HA CYS A 28 5.794 -7.554 7.513 1.00 0.00 H new ATOM 0 HB2 CYS A 28 2.999 -8.774 7.235 1.00 0.00 H new ATOM 0 HB3 CYS A 28 4.406 -9.643 7.817 1.00 0.00 H new ATOM 0 HG CYS A 28 2.904 -8.783 10.086 1.00 0.00 H new ATOM 452 N LYS A 29 4.194 -8.467 4.755 1.00 0.00 N ATOM 453 CA LYS A 29 4.279 -9.225 3.520 1.00 0.00 C ATOM 454 C LYS A 29 3.968 -8.289 2.370 1.00 0.00 C ATOM 455 O LYS A 29 2.835 -7.877 2.138 1.00 0.00 O ATOM 456 CB LYS A 29 3.477 -10.531 3.628 1.00 0.00 C ATOM 457 CG LYS A 29 2.014 -10.453 4.114 1.00 0.00 C ATOM 458 CD LYS A 29 0.946 -10.423 3.019 1.00 0.00 C ATOM 459 CE LYS A 29 0.957 -11.681 2.145 1.00 0.00 C ATOM 460 NZ LYS A 29 0.731 -12.917 2.925 1.00 0.00 N ATOM 0 H LYS A 29 3.267 -8.075 4.923 1.00 0.00 H new ATOM 0 HA LYS A 29 5.283 -9.595 3.313 1.00 0.00 H new ATOM 0 HB2 LYS A 29 3.476 -11.003 2.645 1.00 0.00 H new ATOM 0 HB3 LYS A 29 4.016 -11.197 4.301 1.00 0.00 H new ATOM 0 HG2 LYS A 29 1.820 -11.309 4.760 1.00 0.00 H new ATOM 0 HG3 LYS A 29 1.903 -9.559 4.728 1.00 0.00 H new ATOM 0 HD2 LYS A 29 -0.036 -10.314 3.479 1.00 0.00 H new ATOM 0 HD3 LYS A 29 1.102 -9.547 2.389 1.00 0.00 H new ATOM 0 HE2 LYS A 29 0.187 -11.593 1.379 1.00 0.00 H new ATOM 0 HE3 LYS A 29 1.914 -11.752 1.628 1.00 0.00 H new ATOM 0 HZ1 LYS A 29 0.333 -13.651 2.305 1.00 0.00 H new ATOM 0 HZ2 LYS A 29 1.634 -13.249 3.319 1.00 0.00 H new ATOM 0 HZ3 LYS A 29 0.066 -12.721 3.701 1.00 0.00 H new ATOM 474 N LYS A 30 5.027 -7.871 1.681 1.00 0.00 N ATOM 475 CA LYS A 30 5.032 -6.771 0.722 1.00 0.00 C ATOM 476 C LYS A 30 4.481 -7.240 -0.632 1.00 0.00 C ATOM 477 O LYS A 30 5.053 -6.926 -1.679 1.00 0.00 O ATOM 478 CB LYS A 30 6.474 -6.222 0.674 1.00 0.00 C ATOM 479 CG LYS A 30 6.594 -4.717 0.410 1.00 0.00 C ATOM 480 CD LYS A 30 6.128 -4.252 -0.974 1.00 0.00 C ATOM 481 CE LYS A 30 6.629 -2.838 -1.272 1.00 0.00 C ATOM 482 NZ LYS A 30 8.014 -2.867 -1.792 1.00 0.00 N ATOM 0 H LYS A 30 5.943 -8.308 1.780 1.00 0.00 H new ATOM 0 HA LYS A 30 4.370 -5.957 1.018 1.00 0.00 H new ATOM 0 HB2 LYS A 30 6.963 -6.448 1.622 1.00 0.00 H new ATOM 0 HB3 LYS A 30 7.022 -6.755 -0.103 1.00 0.00 H new ATOM 0 HG2 LYS A 30 6.016 -4.186 1.166 1.00 0.00 H new ATOM 0 HG3 LYS A 30 7.636 -4.425 0.541 1.00 0.00 H new ATOM 0 HD2 LYS A 30 6.495 -4.940 -1.736 1.00 0.00 H new ATOM 0 HD3 LYS A 30 5.039 -4.274 -1.022 1.00 0.00 H new ATOM 0 HE2 LYS A 30 5.973 -2.361 -2.000 1.00 0.00 H new ATOM 0 HE3 LYS A 30 6.589 -2.235 -0.365 1.00 0.00 H new ATOM 0 HZ1 LYS A 30 8.332 -1.896 -1.987 1.00 0.00 H new ATOM 0 HZ2 LYS A 30 8.641 -3.302 -1.085 1.00 0.00 H new ATOM 0 HZ3 LYS A 30 8.044 -3.424 -2.670 1.00 0.00 H new ATOM 496 N TYR A 31 3.440 -8.063 -0.637 1.00 0.00 N ATOM 497 CA TYR A 31 2.796 -8.650 -1.800 1.00 0.00 C ATOM 498 C TYR A 31 1.541 -9.343 -1.274 1.00 0.00 C ATOM 499 O TYR A 31 1.593 -9.975 -0.222 1.00 0.00 O ATOM 500 CB TYR A 31 3.732 -9.650 -2.507 1.00 0.00 C ATOM 501 CG TYR A 31 4.424 -10.644 -1.592 1.00 0.00 C ATOM 502 CD1 TYR A 31 3.766 -11.832 -1.226 1.00 0.00 C ATOM 503 CD2 TYR A 31 5.709 -10.371 -1.080 1.00 0.00 C ATOM 504 CE1 TYR A 31 4.371 -12.732 -0.338 1.00 0.00 C ATOM 505 CE2 TYR A 31 6.338 -11.290 -0.223 1.00 0.00 C ATOM 506 CZ TYR A 31 5.665 -12.472 0.161 1.00 0.00 C ATOM 507 OH TYR A 31 6.257 -13.373 0.989 1.00 0.00 O ATOM 0 H TYR A 31 2.995 -8.357 0.232 1.00 0.00 H new ATOM 0 HA TYR A 31 2.548 -7.893 -2.544 1.00 0.00 H new ATOM 0 HB2 TYR A 31 3.154 -10.203 -3.247 1.00 0.00 H new ATOM 0 HB3 TYR A 31 4.493 -9.090 -3.050 1.00 0.00 H new ATOM 0 HD1 TYR A 31 2.789 -12.052 -1.631 1.00 0.00 H new ATOM 0 HD2 TYR A 31 6.211 -9.453 -1.347 1.00 0.00 H new ATOM 0 HE1 TYR A 31 3.846 -13.626 -0.035 1.00 0.00 H new ATOM 0 HE2 TYR A 31 7.335 -11.093 0.142 1.00 0.00 H new ATOM 0 HH TYR A 31 7.146 -13.048 1.244 1.00 0.00 H new ATOM 517 N LEU A 32 0.417 -9.238 -1.980 1.00 0.00 N ATOM 518 CA LEU A 32 -0.828 -9.900 -1.621 1.00 0.00 C ATOM 519 C LEU A 32 -1.145 -10.860 -2.757 1.00 0.00 C ATOM 520 O LEU A 32 -1.575 -10.433 -3.830 1.00 0.00 O ATOM 521 CB LEU A 32 -2.000 -8.931 -1.378 1.00 0.00 C ATOM 522 CG LEU A 32 -1.899 -7.923 -0.214 1.00 0.00 C ATOM 523 CD1 LEU A 32 -3.315 -7.539 0.220 1.00 0.00 C ATOM 524 CD2 LEU A 32 -1.146 -8.399 1.028 1.00 0.00 C ATOM 0 H LEU A 32 0.348 -8.680 -2.831 1.00 0.00 H new ATOM 0 HA LEU A 32 -0.698 -10.416 -0.669 1.00 0.00 H new ATOM 0 HB2 LEU A 32 -2.154 -8.362 -2.295 1.00 0.00 H new ATOM 0 HB3 LEU A 32 -2.897 -9.530 -1.220 1.00 0.00 H new ATOM 0 HG LEU A 32 -1.318 -7.091 -0.613 1.00 0.00 H new ATOM 0 HD11 LEU A 32 -3.263 -6.826 1.043 1.00 0.00 H new ATOM 0 HD12 LEU A 32 -3.843 -7.086 -0.619 1.00 0.00 H new ATOM 0 HD13 LEU A 32 -3.850 -8.431 0.546 1.00 0.00 H new ATOM 0 HD21 LEU A 32 -1.141 -7.607 1.776 1.00 0.00 H new ATOM 0 HD22 LEU A 32 -1.639 -9.281 1.437 1.00 0.00 H new ATOM 0 HD23 LEU A 32 -0.120 -8.649 0.758 1.00 0.00 H new ATOM 536 N SER A 33 -0.875 -12.143 -2.545 1.00 0.00 N ATOM 537 CA SER A 33 -1.197 -13.234 -3.459 1.00 0.00 C ATOM 538 C SER A 33 -2.721 -13.416 -3.622 1.00 0.00 C ATOM 539 O SER A 33 -3.505 -12.670 -3.034 1.00 0.00 O ATOM 540 CB SER A 33 -0.537 -14.491 -2.897 1.00 0.00 C ATOM 541 OG SER A 33 0.839 -14.265 -2.633 1.00 0.00 O ATOM 0 H SER A 33 -0.407 -12.465 -1.698 1.00 0.00 H new ATOM 0 HA SER A 33 -0.821 -13.016 -4.459 1.00 0.00 H new ATOM 0 HB2 SER A 33 -1.043 -14.793 -1.980 1.00 0.00 H new ATOM 0 HB3 SER A 33 -0.645 -15.312 -3.606 1.00 0.00 H new ATOM 0 HG SER A 33 1.241 -15.082 -2.272 1.00 0.00 H new ATOM 547 N LEU A 34 -3.151 -14.398 -4.427 1.00 0.00 N ATOM 548 CA LEU A 34 -4.549 -14.618 -4.826 1.00 0.00 C ATOM 549 C LEU A 34 -5.527 -14.555 -3.646 1.00 0.00 C ATOM 550 O LEU A 34 -6.498 -13.792 -3.699 1.00 0.00 O ATOM 551 CB LEU A 34 -4.686 -15.947 -5.608 1.00 0.00 C ATOM 552 CG LEU A 34 -5.449 -15.878 -6.943 1.00 0.00 C ATOM 553 CD1 LEU A 34 -6.930 -15.534 -6.786 1.00 0.00 C ATOM 554 CD2 LEU A 34 -4.770 -14.925 -7.932 1.00 0.00 C ATOM 0 H LEU A 34 -2.514 -15.084 -4.832 1.00 0.00 H new ATOM 0 HA LEU A 34 -4.826 -13.796 -5.486 1.00 0.00 H new ATOM 0 HB2 LEU A 34 -3.686 -16.332 -5.805 1.00 0.00 H new ATOM 0 HB3 LEU A 34 -5.186 -16.672 -4.965 1.00 0.00 H new ATOM 0 HG LEU A 34 -5.411 -16.888 -7.352 1.00 0.00 H new ATOM 0 HD11 LEU A 34 -7.402 -15.503 -7.768 1.00 0.00 H new ATOM 0 HD12 LEU A 34 -7.417 -16.292 -6.173 1.00 0.00 H new ATOM 0 HD13 LEU A 34 -7.028 -14.561 -6.305 1.00 0.00 H new ATOM 0 HD21 LEU A 34 -5.337 -14.902 -8.863 1.00 0.00 H new ATOM 0 HD22 LEU A 34 -4.733 -13.923 -7.505 1.00 0.00 H new ATOM 0 HD23 LEU A 34 -3.756 -15.271 -8.133 1.00 0.00 H new ATOM 566 N THR A 35 -5.242 -15.311 -2.582 1.00 0.00 N ATOM 567 CA THR A 35 -6.015 -15.362 -1.343 1.00 0.00 C ATOM 568 C THR A 35 -6.120 -13.965 -0.721 1.00 0.00 C ATOM 569 O THR A 35 -7.211 -13.480 -0.412 1.00 0.00 O ATOM 570 CB THR A 35 -5.335 -16.358 -0.379 1.00 0.00 C ATOM 571 OG1 THR A 35 -5.017 -17.562 -1.065 1.00 0.00 O ATOM 572 CG2 THR A 35 -6.200 -16.703 0.834 1.00 0.00 C ATOM 0 H THR A 35 -4.431 -15.930 -2.562 1.00 0.00 H new ATOM 0 HA THR A 35 -7.030 -15.701 -1.548 1.00 0.00 H new ATOM 0 HB THR A 35 -4.433 -15.865 -0.017 1.00 0.00 H new ATOM 0 HG1 THR A 35 -4.585 -18.187 -0.446 1.00 0.00 H new ATOM 0 HG21 THR A 35 -5.667 -17.407 1.473 1.00 0.00 H new ATOM 0 HG22 THR A 35 -6.417 -15.795 1.396 1.00 0.00 H new ATOM 0 HG23 THR A 35 -7.134 -17.154 0.498 1.00 0.00 H new ATOM 580 N GLU A 36 -4.967 -13.323 -0.558 1.00 0.00 N ATOM 581 CA GLU A 36 -4.727 -12.169 0.292 1.00 0.00 C ATOM 582 C GLU A 36 -5.371 -10.939 -0.350 1.00 0.00 C ATOM 583 O GLU A 36 -6.026 -10.133 0.311 1.00 0.00 O ATOM 584 CB GLU A 36 -3.202 -12.009 0.416 1.00 0.00 C ATOM 585 CG GLU A 36 -2.482 -13.199 1.089 1.00 0.00 C ATOM 586 CD GLU A 36 -2.286 -13.112 2.611 1.00 0.00 C ATOM 587 OE1 GLU A 36 -2.001 -12.009 3.119 1.00 0.00 O ATOM 588 OE2 GLU A 36 -2.076 -14.175 3.241 1.00 0.00 O ATOM 0 H GLU A 36 -4.123 -13.617 -1.050 1.00 0.00 H new ATOM 0 HA GLU A 36 -5.162 -12.291 1.284 1.00 0.00 H new ATOM 0 HB2 GLU A 36 -2.783 -11.864 -0.580 1.00 0.00 H new ATOM 0 HB3 GLU A 36 -2.990 -11.104 0.986 1.00 0.00 H new ATOM 0 HG2 GLU A 36 -3.045 -14.106 0.869 1.00 0.00 H new ATOM 0 HG3 GLU A 36 -1.502 -13.311 0.625 1.00 0.00 H new ATOM 595 N ARG A 37 -5.273 -10.796 -1.679 1.00 0.00 N ATOM 596 CA ARG A 37 -5.885 -9.642 -2.331 1.00 0.00 C ATOM 597 C ARG A 37 -7.414 -9.657 -2.197 1.00 0.00 C ATOM 598 O ARG A 37 -8.005 -8.576 -2.219 1.00 0.00 O ATOM 599 CB ARG A 37 -5.396 -9.473 -3.780 1.00 0.00 C ATOM 600 CG ARG A 37 -6.046 -8.247 -4.446 1.00 0.00 C ATOM 601 CD ARG A 37 -5.547 -7.918 -5.851 1.00 0.00 C ATOM 602 NE ARG A 37 -6.153 -8.805 -6.855 1.00 0.00 N ATOM 603 CZ ARG A 37 -5.549 -9.360 -7.906 1.00 0.00 C ATOM 604 NH1 ARG A 37 -4.265 -9.151 -8.162 1.00 0.00 N ATOM 605 NH2 ARG A 37 -6.261 -10.108 -8.730 1.00 0.00 N ATOM 0 H ARG A 37 -4.791 -11.444 -2.302 1.00 0.00 H new ATOM 0 HA ARG A 37 -5.550 -8.749 -1.803 1.00 0.00 H new ATOM 0 HB2 ARG A 37 -4.312 -9.364 -3.790 1.00 0.00 H new ATOM 0 HB3 ARG A 37 -5.632 -10.370 -4.353 1.00 0.00 H new ATOM 0 HG2 ARG A 37 -7.123 -8.409 -4.491 1.00 0.00 H new ATOM 0 HG3 ARG A 37 -5.880 -7.379 -3.808 1.00 0.00 H new ATOM 0 HD2 ARG A 37 -5.783 -6.881 -6.089 1.00 0.00 H new ATOM 0 HD3 ARG A 37 -4.462 -8.014 -5.886 1.00 0.00 H new ATOM 0 HE ARG A 37 -7.143 -9.019 -6.734 1.00 0.00 H new ATOM 0 HH11 ARG A 37 -3.713 -8.552 -7.547 1.00 0.00 H new ATOM 0 HH12 ARG A 37 -3.829 -9.589 -8.974 1.00 0.00 H new ATOM 0 HH21 ARG A 37 -7.256 -10.253 -8.557 1.00 0.00 H new ATOM 0 HH22 ARG A 37 -5.816 -10.541 -9.539 1.00 0.00 H new ATOM 619 N SER A 38 -8.062 -10.800 -1.976 1.00 0.00 N ATOM 620 CA SER A 38 -9.494 -10.800 -1.709 1.00 0.00 C ATOM 621 C SER A 38 -9.813 -10.561 -0.224 1.00 0.00 C ATOM 622 O SER A 38 -10.982 -10.330 0.074 1.00 0.00 O ATOM 623 CB SER A 38 -10.120 -12.093 -2.241 1.00 0.00 C ATOM 624 OG SER A 38 -11.527 -11.961 -2.340 1.00 0.00 O ATOM 0 H SER A 38 -7.625 -11.722 -1.977 1.00 0.00 H new ATOM 0 HA SER A 38 -9.942 -9.960 -2.240 1.00 0.00 H new ATOM 0 HB2 SER A 38 -9.702 -12.330 -3.219 1.00 0.00 H new ATOM 0 HB3 SER A 38 -9.873 -12.923 -1.579 1.00 0.00 H new ATOM 0 HG SER A 38 -11.855 -11.398 -1.608 1.00 0.00 H new ATOM 630 N GLN A 39 -8.841 -10.597 0.701 1.00 0.00 N ATOM 631 CA GLN A 39 -9.130 -10.584 2.132 1.00 0.00 C ATOM 632 C GLN A 39 -9.688 -9.229 2.528 1.00 0.00 C ATOM 633 O GLN A 39 -10.874 -9.136 2.841 1.00 0.00 O ATOM 634 CB GLN A 39 -7.899 -10.937 2.977 1.00 0.00 C ATOM 635 CG GLN A 39 -7.644 -12.443 2.986 1.00 0.00 C ATOM 636 CD GLN A 39 -6.557 -12.864 3.968 1.00 0.00 C ATOM 637 OE1 GLN A 39 -5.608 -13.562 3.617 1.00 0.00 O ATOM 638 NE2 GLN A 39 -6.716 -12.534 5.236 1.00 0.00 N ATOM 0 H GLN A 39 -7.847 -10.635 0.476 1.00 0.00 H new ATOM 0 HA GLN A 39 -9.875 -11.354 2.331 1.00 0.00 H new ATOM 0 HB2 GLN A 39 -7.024 -10.420 2.582 1.00 0.00 H new ATOM 0 HB3 GLN A 39 -8.043 -10.585 3.998 1.00 0.00 H new ATOM 0 HG2 GLN A 39 -8.570 -12.960 3.236 1.00 0.00 H new ATOM 0 HG3 GLN A 39 -7.362 -12.763 1.983 1.00 0.00 H new ATOM 0 HE21 GLN A 39 -7.507 -11.954 5.517 1.00 0.00 H new ATOM 0 HE22 GLN A 39 -6.048 -12.859 5.935 1.00 0.00 H new ATOM 647 N ILE A 40 -8.870 -8.175 2.448 1.00 0.00 N ATOM 648 CA ILE A 40 -9.292 -6.824 2.796 1.00 0.00 C ATOM 649 C ILE A 40 -10.484 -6.484 1.895 1.00 0.00 C ATOM 650 O ILE A 40 -11.511 -5.998 2.374 1.00 0.00 O ATOM 651 CB ILE A 40 -8.138 -5.805 2.633 1.00 0.00 C ATOM 652 CG1 ILE A 40 -6.906 -6.038 3.544 1.00 0.00 C ATOM 653 CG2 ILE A 40 -8.641 -4.375 2.921 1.00 0.00 C ATOM 654 CD1 ILE A 40 -5.882 -7.063 3.045 1.00 0.00 C ATOM 0 H ILE A 40 -7.900 -8.239 2.140 1.00 0.00 H new ATOM 0 HA ILE A 40 -9.582 -6.771 3.846 1.00 0.00 H new ATOM 0 HB ILE A 40 -7.814 -5.944 1.602 1.00 0.00 H new ATOM 0 HG12 ILE A 40 -6.397 -5.084 3.683 1.00 0.00 H new ATOM 0 HG13 ILE A 40 -7.260 -6.356 4.525 1.00 0.00 H new ATOM 0 HG21 ILE A 40 -7.819 -3.669 2.803 1.00 0.00 H new ATOM 0 HG22 ILE A 40 -9.439 -4.123 2.223 1.00 0.00 H new ATOM 0 HG23 ILE A 40 -9.021 -4.321 3.941 1.00 0.00 H new ATOM 0 HD11 ILE A 40 -5.066 -7.141 3.763 1.00 0.00 H new ATOM 0 HD12 ILE A 40 -6.364 -8.035 2.935 1.00 0.00 H new ATOM 0 HD13 ILE A 40 -5.487 -6.743 2.081 1.00 0.00 H new ATOM 666 N ALA A 41 -10.367 -6.778 0.594 1.00 0.00 N ATOM 667 CA ALA A 41 -11.363 -6.481 -0.427 1.00 0.00 C ATOM 668 C ALA A 41 -12.716 -7.171 -0.216 1.00 0.00 C ATOM 669 O ALA A 41 -13.659 -6.839 -0.934 1.00 0.00 O ATOM 670 CB ALA A 41 -10.801 -6.817 -1.808 1.00 0.00 C ATOM 0 H ALA A 41 -9.543 -7.246 0.216 1.00 0.00 H new ATOM 0 HA ALA A 41 -11.569 -5.414 -0.347 1.00 0.00 H new ATOM 0 HB1 ALA A 41 -11.549 -6.594 -2.569 1.00 0.00 H new ATOM 0 HB2 ALA A 41 -9.907 -6.221 -1.992 1.00 0.00 H new ATOM 0 HB3 ALA A 41 -10.546 -7.876 -1.849 1.00 0.00 H new ATOM 676 N HIS A 42 -12.862 -8.067 0.763 1.00 0.00 N ATOM 677 CA HIS A 42 -14.135 -8.656 1.157 1.00 0.00 C ATOM 678 C HIS A 42 -14.286 -8.704 2.689 1.00 0.00 C ATOM 679 O HIS A 42 -15.157 -9.412 3.191 1.00 0.00 O ATOM 680 CB HIS A 42 -14.284 -10.029 0.475 1.00 0.00 C ATOM 681 CG HIS A 42 -15.701 -10.536 0.317 1.00 0.00 C ATOM 682 ND1 HIS A 42 -16.044 -11.738 -0.260 1.00 0.00 N ATOM 683 CD2 HIS A 42 -16.868 -9.906 0.674 1.00 0.00 C ATOM 684 CE1 HIS A 42 -17.382 -11.832 -0.243 1.00 0.00 C ATOM 685 NE2 HIS A 42 -17.933 -10.731 0.295 1.00 0.00 N ATOM 0 H HIS A 42 -12.075 -8.409 1.315 1.00 0.00 H new ATOM 0 HA HIS A 42 -14.958 -8.028 0.816 1.00 0.00 H new ATOM 0 HB2 HIS A 42 -13.826 -9.975 -0.512 1.00 0.00 H new ATOM 0 HB3 HIS A 42 -13.718 -10.762 1.049 1.00 0.00 H new ATOM 0 HD2 HIS A 42 -16.949 -8.945 1.160 1.00 0.00 H new ATOM 0 HE1 HIS A 42 -17.941 -12.679 -0.612 1.00 0.00 H new ATOM 0 HE2 HIS A 42 -18.928 -10.536 0.405 1.00 0.00 H new ATOM 693 N ALA A 43 -13.445 -7.978 3.437 1.00 0.00 N ATOM 694 CA ALA A 43 -13.550 -7.810 4.874 1.00 0.00 C ATOM 695 C ALA A 43 -14.230 -6.484 5.194 1.00 0.00 C ATOM 696 O ALA A 43 -15.118 -6.455 6.037 1.00 0.00 O ATOM 697 CB ALA A 43 -12.169 -7.842 5.531 1.00 0.00 C ATOM 0 H ALA A 43 -12.651 -7.479 3.036 1.00 0.00 H new ATOM 0 HA ALA A 43 -14.145 -8.634 5.269 1.00 0.00 H new ATOM 0 HB1 ALA A 43 -12.275 -7.714 6.608 1.00 0.00 H new ATOM 0 HB2 ALA A 43 -11.690 -8.799 5.325 1.00 0.00 H new ATOM 0 HB3 ALA A 43 -11.556 -7.036 5.129 1.00 0.00 H new ATOM 703 N LEU A 44 -13.818 -5.379 4.538 1.00 0.00 N ATOM 704 CA LEU A 44 -14.286 -4.074 4.989 1.00 0.00 C ATOM 705 C LEU A 44 -15.408 -3.548 4.095 1.00 0.00 C ATOM 706 O LEU A 44 -16.560 -3.898 4.363 1.00 0.00 O ATOM 707 CB LEU A 44 -13.096 -3.101 5.097 1.00 0.00 C ATOM 708 CG LEU A 44 -12.080 -3.554 6.169 1.00 0.00 C ATOM 709 CD1 LEU A 44 -10.713 -3.752 5.523 1.00 0.00 C ATOM 710 CD2 LEU A 44 -11.987 -2.576 7.337 1.00 0.00 C ATOM 0 H LEU A 44 -13.192 -5.370 3.733 1.00 0.00 H new ATOM 0 HA LEU A 44 -14.719 -4.171 5.984 1.00 0.00 H new ATOM 0 HB2 LEU A 44 -12.597 -3.029 4.131 1.00 0.00 H new ATOM 0 HB3 LEU A 44 -13.463 -2.104 5.342 1.00 0.00 H new ATOM 0 HG LEU A 44 -12.432 -4.499 6.583 1.00 0.00 H new ATOM 0 HD11 LEU A 44 -9.996 -4.072 6.279 1.00 0.00 H new ATOM 0 HD12 LEU A 44 -10.785 -4.513 4.746 1.00 0.00 H new ATOM 0 HD13 LEU A 44 -10.380 -2.813 5.081 1.00 0.00 H new ATOM 0 HD21 LEU A 44 -11.259 -2.942 8.061 1.00 0.00 H new ATOM 0 HD22 LEU A 44 -11.673 -1.599 6.969 1.00 0.00 H new ATOM 0 HD23 LEU A 44 -12.962 -2.487 7.816 1.00 0.00 H new ATOM 722 N LYS A 45 -15.105 -2.836 3.009 1.00 0.00 N ATOM 723 CA LYS A 45 -16.007 -2.039 2.170 1.00 0.00 C ATOM 724 C LYS A 45 -15.476 -1.741 0.755 1.00 0.00 C ATOM 725 O LYS A 45 -16.126 -1.015 0.002 1.00 0.00 O ATOM 726 CB LYS A 45 -16.313 -0.703 2.892 1.00 0.00 C ATOM 727 CG LYS A 45 -17.256 -0.897 4.086 1.00 0.00 C ATOM 728 CD LYS A 45 -16.644 -0.736 5.485 1.00 0.00 C ATOM 729 CE LYS A 45 -16.679 0.735 5.910 1.00 0.00 C ATOM 730 NZ LYS A 45 -16.508 0.879 7.369 1.00 0.00 N ATOM 0 H LYS A 45 -14.146 -2.797 2.664 1.00 0.00 H new ATOM 0 HA LYS A 45 -16.904 -2.642 2.030 1.00 0.00 H new ATOM 0 HB2 LYS A 45 -15.381 -0.255 3.236 1.00 0.00 H new ATOM 0 HB3 LYS A 45 -16.761 -0.004 2.186 1.00 0.00 H new ATOM 0 HG2 LYS A 45 -18.076 -0.186 3.990 1.00 0.00 H new ATOM 0 HG3 LYS A 45 -17.690 -1.895 4.018 1.00 0.00 H new ATOM 0 HD2 LYS A 45 -17.195 -1.343 6.203 1.00 0.00 H new ATOM 0 HD3 LYS A 45 -15.616 -1.098 5.484 1.00 0.00 H new ATOM 0 HE2 LYS A 45 -15.891 1.283 5.394 1.00 0.00 H new ATOM 0 HE3 LYS A 45 -17.627 1.180 5.608 1.00 0.00 H new ATOM 0 HZ1 LYS A 45 -16.536 1.887 7.624 1.00 0.00 H new ATOM 0 HZ2 LYS A 45 -17.275 0.376 7.860 1.00 0.00 H new ATOM 0 HZ3 LYS A 45 -15.592 0.476 7.653 1.00 0.00 H new ATOM 744 N LEU A 46 -14.268 -2.186 0.403 1.00 0.00 N ATOM 745 CA LEU A 46 -13.525 -1.742 -0.775 1.00 0.00 C ATOM 746 C LEU A 46 -14.014 -2.486 -2.028 1.00 0.00 C ATOM 747 O LEU A 46 -14.435 -3.647 -1.960 1.00 0.00 O ATOM 748 CB LEU A 46 -12.005 -1.977 -0.598 1.00 0.00 C ATOM 749 CG LEU A 46 -11.293 -1.175 0.517 1.00 0.00 C ATOM 750 CD1 LEU A 46 -11.598 -1.760 1.899 1.00 0.00 C ATOM 751 CD2 LEU A 46 -9.774 -1.238 0.382 1.00 0.00 C ATOM 0 H LEU A 46 -13.766 -2.887 0.948 1.00 0.00 H new ATOM 0 HA LEU A 46 -13.702 -0.673 -0.894 1.00 0.00 H new ATOM 0 HB2 LEU A 46 -11.847 -3.038 -0.405 1.00 0.00 H new ATOM 0 HB3 LEU A 46 -11.515 -1.749 -1.544 1.00 0.00 H new ATOM 0 HG LEU A 46 -11.658 -0.153 0.416 1.00 0.00 H new ATOM 0 HD11 LEU A 46 -11.084 -1.176 2.663 1.00 0.00 H new ATOM 0 HD12 LEU A 46 -12.673 -1.727 2.079 1.00 0.00 H new ATOM 0 HD13 LEU A 46 -11.255 -2.794 1.940 1.00 0.00 H new ATOM 0 HD21 LEU A 46 -9.313 -0.662 1.184 1.00 0.00 H new ATOM 0 HD22 LEU A 46 -9.446 -2.275 0.445 1.00 0.00 H new ATOM 0 HD23 LEU A 46 -9.477 -0.822 -0.580 1.00 0.00 H new ATOM 763 N SER A 47 -13.896 -1.834 -3.185 1.00 0.00 N ATOM 764 CA SER A 47 -14.103 -2.414 -4.510 1.00 0.00 C ATOM 765 C SER A 47 -12.787 -2.987 -5.040 1.00 0.00 C ATOM 766 O SER A 47 -11.796 -2.260 -5.090 1.00 0.00 O ATOM 767 CB SER A 47 -14.653 -1.347 -5.465 1.00 0.00 C ATOM 768 OG SER A 47 -16.044 -1.534 -5.649 1.00 0.00 O ATOM 0 H SER A 47 -13.643 -0.847 -3.225 1.00 0.00 H new ATOM 0 HA SER A 47 -14.829 -3.224 -4.440 1.00 0.00 H new ATOM 0 HB2 SER A 47 -14.461 -0.353 -5.062 1.00 0.00 H new ATOM 0 HB3 SER A 47 -14.139 -1.406 -6.425 1.00 0.00 H new ATOM 0 HG SER A 47 -16.388 -0.848 -6.258 1.00 0.00 H new ATOM 774 N GLU A 48 -12.783 -4.247 -5.496 1.00 0.00 N ATOM 775 CA GLU A 48 -11.616 -4.938 -6.073 1.00 0.00 C ATOM 776 C GLU A 48 -10.907 -4.082 -7.138 1.00 0.00 C ATOM 777 O GLU A 48 -9.681 -3.970 -7.116 1.00 0.00 O ATOM 778 CB GLU A 48 -12.047 -6.292 -6.673 1.00 0.00 C ATOM 779 CG GLU A 48 -12.172 -7.444 -5.655 1.00 0.00 C ATOM 780 CD GLU A 48 -11.166 -8.584 -5.893 1.00 0.00 C ATOM 781 OE1 GLU A 48 -9.957 -8.321 -6.091 1.00 0.00 O ATOM 782 OE2 GLU A 48 -11.563 -9.768 -5.847 1.00 0.00 O ATOM 0 H GLU A 48 -13.617 -4.834 -5.474 1.00 0.00 H new ATOM 0 HA GLU A 48 -10.902 -5.110 -5.267 1.00 0.00 H new ATOM 0 HB2 GLU A 48 -13.007 -6.162 -7.172 1.00 0.00 H new ATOM 0 HB3 GLU A 48 -11.326 -6.580 -7.438 1.00 0.00 H new ATOM 0 HG2 GLU A 48 -12.029 -7.047 -4.650 1.00 0.00 H new ATOM 0 HG3 GLU A 48 -13.184 -7.848 -5.697 1.00 0.00 H new ATOM 789 N VAL A 49 -11.668 -3.422 -8.022 1.00 0.00 N ATOM 790 CA VAL A 49 -11.169 -2.485 -9.037 1.00 0.00 C ATOM 791 C VAL A 49 -10.189 -1.488 -8.403 1.00 0.00 C ATOM 792 O VAL A 49 -9.056 -1.336 -8.862 1.00 0.00 O ATOM 793 CB VAL A 49 -12.371 -1.774 -9.711 1.00 0.00 C ATOM 794 CG1 VAL A 49 -11.935 -0.690 -10.706 1.00 0.00 C ATOM 795 CG2 VAL A 49 -13.271 -2.782 -10.446 1.00 0.00 C ATOM 0 H VAL A 49 -12.682 -3.530 -8.051 1.00 0.00 H new ATOM 0 HA VAL A 49 -10.620 -3.026 -9.808 1.00 0.00 H new ATOM 0 HB VAL A 49 -12.925 -1.298 -8.902 1.00 0.00 H new ATOM 0 HG11 VAL A 49 -12.817 -0.226 -11.148 1.00 0.00 H new ATOM 0 HG12 VAL A 49 -11.348 0.067 -10.185 1.00 0.00 H new ATOM 0 HG13 VAL A 49 -11.330 -1.140 -11.493 1.00 0.00 H new ATOM 0 HG21 VAL A 49 -14.105 -2.255 -10.909 1.00 0.00 H new ATOM 0 HG22 VAL A 49 -12.692 -3.292 -11.216 1.00 0.00 H new ATOM 0 HG23 VAL A 49 -13.654 -3.514 -9.735 1.00 0.00 H new ATOM 805 N GLN A 50 -10.637 -0.835 -7.332 1.00 0.00 N ATOM 806 CA GLN A 50 -9.936 0.207 -6.607 1.00 0.00 C ATOM 807 C GLN A 50 -8.688 -0.363 -5.909 1.00 0.00 C ATOM 808 O GLN A 50 -7.666 0.324 -5.804 1.00 0.00 O ATOM 809 CB GLN A 50 -10.933 0.798 -5.581 1.00 0.00 C ATOM 810 CG GLN A 50 -11.034 2.332 -5.517 1.00 0.00 C ATOM 811 CD GLN A 50 -9.699 3.046 -5.608 1.00 0.00 C ATOM 812 OE1 GLN A 50 -9.262 3.445 -6.687 1.00 0.00 O ATOM 813 NE2 GLN A 50 -9.001 3.206 -4.499 1.00 0.00 N ATOM 0 H GLN A 50 -11.552 -1.036 -6.929 1.00 0.00 H new ATOM 0 HA GLN A 50 -9.587 0.985 -7.286 1.00 0.00 H new ATOM 0 HB2 GLN A 50 -11.924 0.401 -5.802 1.00 0.00 H new ATOM 0 HB3 GLN A 50 -10.658 0.434 -4.591 1.00 0.00 H new ATOM 0 HG2 GLN A 50 -11.674 2.677 -6.329 1.00 0.00 H new ATOM 0 HG3 GLN A 50 -11.522 2.614 -4.584 1.00 0.00 H new ATOM 0 HE21 GLN A 50 -9.372 2.872 -3.610 1.00 0.00 H new ATOM 0 HE22 GLN A 50 -8.090 3.664 -4.531 1.00 0.00 H new ATOM 822 N VAL A 51 -8.775 -1.597 -5.401 1.00 0.00 N ATOM 823 CA VAL A 51 -7.737 -2.268 -4.613 1.00 0.00 C ATOM 824 C VAL A 51 -6.554 -2.636 -5.503 1.00 0.00 C ATOM 825 O VAL A 51 -5.401 -2.401 -5.142 1.00 0.00 O ATOM 826 CB VAL A 51 -8.328 -3.515 -3.918 1.00 0.00 C ATOM 827 CG1 VAL A 51 -7.256 -4.363 -3.215 1.00 0.00 C ATOM 828 CG2 VAL A 51 -9.385 -3.112 -2.881 1.00 0.00 C ATOM 0 H VAL A 51 -9.603 -2.178 -5.533 1.00 0.00 H new ATOM 0 HA VAL A 51 -7.375 -1.589 -3.841 1.00 0.00 H new ATOM 0 HB VAL A 51 -8.780 -4.114 -4.708 1.00 0.00 H new ATOM 0 HG11 VAL A 51 -7.726 -5.226 -2.744 1.00 0.00 H new ATOM 0 HG12 VAL A 51 -6.524 -4.704 -3.947 1.00 0.00 H new ATOM 0 HG13 VAL A 51 -6.757 -3.762 -2.455 1.00 0.00 H new ATOM 0 HG21 VAL A 51 -9.787 -4.006 -2.405 1.00 0.00 H new ATOM 0 HG22 VAL A 51 -8.928 -2.473 -2.126 1.00 0.00 H new ATOM 0 HG23 VAL A 51 -10.192 -2.570 -3.375 1.00 0.00 H new ATOM 838 N LYS A 52 -6.813 -3.163 -6.702 1.00 0.00 N ATOM 839 CA LYS A 52 -5.782 -3.465 -7.691 1.00 0.00 C ATOM 840 C LYS A 52 -4.865 -2.259 -7.909 1.00 0.00 C ATOM 841 O LYS A 52 -3.643 -2.395 -8.029 1.00 0.00 O ATOM 842 CB LYS A 52 -6.499 -3.841 -8.990 1.00 0.00 C ATOM 843 CG LYS A 52 -7.156 -5.229 -8.952 1.00 0.00 C ATOM 844 CD LYS A 52 -8.341 -5.335 -9.925 1.00 0.00 C ATOM 845 CE LYS A 52 -8.075 -4.834 -11.352 1.00 0.00 C ATOM 846 NZ LYS A 52 -6.999 -5.588 -12.030 1.00 0.00 N ATOM 0 H LYS A 52 -7.756 -3.394 -7.015 1.00 0.00 H new ATOM 0 HA LYS A 52 -5.152 -4.285 -7.347 1.00 0.00 H new ATOM 0 HB2 LYS A 52 -7.263 -3.093 -9.203 1.00 0.00 H new ATOM 0 HB3 LYS A 52 -5.784 -3.809 -9.812 1.00 0.00 H new ATOM 0 HG2 LYS A 52 -6.414 -5.988 -9.201 1.00 0.00 H new ATOM 0 HG3 LYS A 52 -7.499 -5.439 -7.939 1.00 0.00 H new ATOM 0 HD2 LYS A 52 -8.652 -6.378 -9.978 1.00 0.00 H new ATOM 0 HD3 LYS A 52 -9.178 -4.773 -9.512 1.00 0.00 H new ATOM 0 HE2 LYS A 52 -8.992 -4.912 -11.937 1.00 0.00 H new ATOM 0 HE3 LYS A 52 -7.807 -3.778 -11.318 1.00 0.00 H new ATOM 0 HZ1 LYS A 52 -6.861 -5.209 -12.989 1.00 0.00 H new ATOM 0 HZ2 LYS A 52 -6.115 -5.494 -11.490 1.00 0.00 H new ATOM 0 HZ3 LYS A 52 -7.263 -6.592 -12.089 1.00 0.00 H new ATOM 860 N ILE A 53 -5.459 -1.070 -7.948 1.00 0.00 N ATOM 861 CA ILE A 53 -4.773 0.178 -8.226 1.00 0.00 C ATOM 862 C ILE A 53 -3.995 0.649 -6.991 1.00 0.00 C ATOM 863 O ILE A 53 -3.014 1.372 -7.154 1.00 0.00 O ATOM 864 CB ILE A 53 -5.808 1.214 -8.694 1.00 0.00 C ATOM 865 CG1 ILE A 53 -6.557 0.715 -9.954 1.00 0.00 C ATOM 866 CG2 ILE A 53 -5.160 2.576 -8.998 1.00 0.00 C ATOM 867 CD1 ILE A 53 -7.900 1.393 -10.189 1.00 0.00 C ATOM 0 H ILE A 53 -6.458 -0.950 -7.782 1.00 0.00 H new ATOM 0 HA ILE A 53 -4.040 0.039 -9.021 1.00 0.00 H new ATOM 0 HB ILE A 53 -6.516 1.343 -7.875 1.00 0.00 H new ATOM 0 HG12 ILE A 53 -5.924 0.875 -10.827 1.00 0.00 H new ATOM 0 HG13 ILE A 53 -6.715 -0.360 -9.867 1.00 0.00 H new ATOM 0 HG21 ILE A 53 -5.926 3.279 -9.325 1.00 0.00 H new ATOM 0 HG22 ILE A 53 -4.678 2.958 -8.098 1.00 0.00 H new ATOM 0 HG23 ILE A 53 -4.416 2.457 -9.786 1.00 0.00 H new ATOM 0 HD11 ILE A 53 -8.360 0.987 -11.090 1.00 0.00 H new ATOM 0 HD12 ILE A 53 -8.553 1.212 -9.335 1.00 0.00 H new ATOM 0 HD13 ILE A 53 -7.750 2.466 -10.310 1.00 0.00 H new ATOM 879 N TRP A 54 -4.336 0.229 -5.769 1.00 0.00 N ATOM 880 CA TRP A 54 -3.530 0.575 -4.600 1.00 0.00 C ATOM 881 C TRP A 54 -2.100 0.098 -4.837 1.00 0.00 C ATOM 882 O TRP A 54 -1.143 0.842 -4.636 1.00 0.00 O ATOM 883 CB TRP A 54 -4.125 -0.019 -3.321 1.00 0.00 C ATOM 884 CG TRP A 54 -3.588 0.543 -2.036 1.00 0.00 C ATOM 885 CD1 TRP A 54 -3.890 1.765 -1.543 1.00 0.00 C ATOM 886 CD2 TRP A 54 -2.745 -0.091 -1.023 1.00 0.00 C ATOM 887 NE1 TRP A 54 -3.330 1.925 -0.293 1.00 0.00 N ATOM 888 CE2 TRP A 54 -2.634 0.799 0.090 1.00 0.00 C ATOM 889 CE3 TRP A 54 -2.056 -1.319 -0.920 1.00 0.00 C ATOM 890 CZ2 TRP A 54 -1.910 0.477 1.244 1.00 0.00 C ATOM 891 CZ3 TRP A 54 -1.344 -1.661 0.246 1.00 0.00 C ATOM 892 CH2 TRP A 54 -1.279 -0.775 1.336 1.00 0.00 C ATOM 0 H TRP A 54 -5.155 -0.344 -5.567 1.00 0.00 H new ATOM 0 HA TRP A 54 -3.526 1.656 -4.462 1.00 0.00 H new ATOM 0 HB2 TRP A 54 -5.204 0.131 -3.340 1.00 0.00 H new ATOM 0 HB3 TRP A 54 -3.952 -1.095 -3.327 1.00 0.00 H new ATOM 0 HD1 TRP A 54 -4.484 2.508 -2.054 1.00 0.00 H new ATOM 0 HE1 TRP A 54 -3.419 2.768 0.275 1.00 0.00 H new ATOM 0 HE3 TRP A 54 -2.075 -2.009 -1.751 1.00 0.00 H new ATOM 0 HZ2 TRP A 54 -1.837 1.185 2.057 1.00 0.00 H new ATOM 0 HZ3 TRP A 54 -0.842 -2.615 0.304 1.00 0.00 H new ATOM 0 HH2 TRP A 54 -0.749 -1.054 2.235 1.00 0.00 H new ATOM 903 N PHE A 55 -1.948 -1.097 -5.412 1.00 0.00 N ATOM 904 CA PHE A 55 -0.626 -1.610 -5.746 1.00 0.00 C ATOM 905 C PHE A 55 0.052 -0.764 -6.835 1.00 0.00 C ATOM 906 O PHE A 55 1.272 -0.566 -6.779 1.00 0.00 O ATOM 907 CB PHE A 55 -0.712 -3.093 -6.111 1.00 0.00 C ATOM 908 CG PHE A 55 -1.419 -3.932 -5.058 1.00 0.00 C ATOM 909 CD1 PHE A 55 -0.872 -4.062 -3.765 1.00 0.00 C ATOM 910 CD2 PHE A 55 -2.659 -4.533 -5.347 1.00 0.00 C ATOM 911 CE1 PHE A 55 -1.555 -4.795 -2.778 1.00 0.00 C ATOM 912 CE2 PHE A 55 -3.343 -5.260 -4.358 1.00 0.00 C ATOM 913 CZ PHE A 55 -2.786 -5.402 -3.077 1.00 0.00 C ATOM 0 H PHE A 55 -2.719 -1.720 -5.653 1.00 0.00 H new ATOM 0 HA PHE A 55 0.013 -1.528 -4.867 1.00 0.00 H new ATOM 0 HB2 PHE A 55 -1.237 -3.196 -7.061 1.00 0.00 H new ATOM 0 HB3 PHE A 55 0.295 -3.482 -6.260 1.00 0.00 H new ATOM 0 HD1 PHE A 55 0.075 -3.597 -3.532 1.00 0.00 H new ATOM 0 HD2 PHE A 55 -3.087 -4.435 -6.334 1.00 0.00 H new ATOM 0 HE1 PHE A 55 -1.132 -4.891 -1.789 1.00 0.00 H new ATOM 0 HE2 PHE A 55 -4.298 -5.710 -4.584 1.00 0.00 H new ATOM 0 HZ PHE A 55 -3.303 -5.977 -2.323 1.00 0.00 H new ATOM 923 N GLN A 56 -0.697 -0.209 -7.802 1.00 0.00 N ATOM 924 CA GLN A 56 -0.127 0.711 -8.774 1.00 0.00 C ATOM 925 C GLN A 56 0.212 2.097 -8.204 1.00 0.00 C ATOM 926 O GLN A 56 1.054 2.780 -8.787 1.00 0.00 O ATOM 927 CB GLN A 56 -0.860 0.639 -10.110 1.00 0.00 C ATOM 928 CG GLN A 56 -1.966 1.648 -10.356 1.00 0.00 C ATOM 929 CD GLN A 56 -2.801 1.331 -11.596 1.00 0.00 C ATOM 930 OE1 GLN A 56 -2.779 0.112 -12.103 1.00 0.00 O flip ATOM 931 NE2 GLN A 56 -3.489 2.201 -12.112 1.00 0.00 N flip ATOM 0 H GLN A 56 -1.694 -0.387 -7.923 1.00 0.00 H new ATOM 0 HA GLN A 56 0.877 0.368 -9.026 1.00 0.00 H new ATOM 0 HB2 GLN A 56 -0.122 0.748 -10.905 1.00 0.00 H new ATOM 0 HB3 GLN A 56 -1.287 -0.359 -10.206 1.00 0.00 H new ATOM 0 HG2 GLN A 56 -2.619 1.682 -9.484 1.00 0.00 H new ATOM 0 HG3 GLN A 56 -1.527 2.640 -10.464 1.00 0.00 H new ATOM 0 HE21 GLN A 56 -3.503 3.141 -11.717 1.00 0.00 H new ATOM 0 HE22 GLN A 56 -4.049 1.986 -12.937 1.00 0.00 H new ATOM 940 N ASN A 57 -0.312 2.481 -7.031 1.00 0.00 N ATOM 941 CA ASN A 57 -0.048 3.780 -6.391 1.00 0.00 C ATOM 942 C ASN A 57 0.773 3.721 -5.093 1.00 0.00 C ATOM 943 O ASN A 57 1.118 4.765 -4.533 1.00 0.00 O ATOM 944 CB ASN A 57 -1.332 4.619 -6.269 1.00 0.00 C ATOM 945 CG ASN A 57 -2.372 4.131 -5.269 1.00 0.00 C ATOM 946 OD1 ASN A 57 -2.086 3.896 -4.101 1.00 0.00 O ATOM 947 ND2 ASN A 57 -3.624 4.059 -5.700 1.00 0.00 N ATOM 0 H ASN A 57 -0.942 1.888 -6.490 1.00 0.00 H new ATOM 0 HA ASN A 57 0.621 4.304 -7.073 1.00 0.00 H new ATOM 0 HB2 ASN A 57 -1.050 5.636 -5.998 1.00 0.00 H new ATOM 0 HB3 ASN A 57 -1.801 4.669 -7.252 1.00 0.00 H new ATOM 0 HD21 ASN A 57 -4.372 3.804 -5.055 1.00 0.00 H new ATOM 0 HD22 ASN A 57 -3.839 4.259 -6.677 1.00 0.00 H new ATOM 954 N ARG A 58 1.161 2.530 -4.630 1.00 0.00 N ATOM 955 CA ARG A 58 1.944 2.340 -3.401 1.00 0.00 C ATOM 956 C ARG A 58 3.433 2.088 -3.617 1.00 0.00 C ATOM 957 O ARG A 58 4.114 1.853 -2.621 1.00 0.00 O ATOM 958 CB ARG A 58 1.334 1.210 -2.550 1.00 0.00 C ATOM 959 CG ARG A 58 0.071 1.639 -1.801 1.00 0.00 C ATOM 960 CD ARG A 58 0.288 2.602 -0.625 1.00 0.00 C ATOM 961 NE ARG A 58 0.828 1.944 0.580 1.00 0.00 N ATOM 962 CZ ARG A 58 0.829 2.477 1.812 1.00 0.00 C ATOM 963 NH1 ARG A 58 0.472 3.743 2.008 1.00 0.00 N ATOM 964 NH2 ARG A 58 1.193 1.745 2.857 1.00 0.00 N ATOM 0 H ARG A 58 0.938 1.655 -5.104 1.00 0.00 H new ATOM 0 HA ARG A 58 1.885 3.292 -2.874 1.00 0.00 H new ATOM 0 HB2 ARG A 58 1.097 0.364 -3.196 1.00 0.00 H new ATOM 0 HB3 ARG A 58 2.076 0.864 -1.831 1.00 0.00 H new ATOM 0 HG2 ARG A 58 -0.608 2.110 -2.512 1.00 0.00 H new ATOM 0 HG3 ARG A 58 -0.429 0.745 -1.427 1.00 0.00 H new ATOM 0 HD2 ARG A 58 0.971 3.393 -0.934 1.00 0.00 H new ATOM 0 HD3 ARG A 58 -0.660 3.078 -0.376 1.00 0.00 H new ATOM 0 HE ARG A 58 1.231 1.014 0.469 1.00 0.00 H new ATOM 0 HH11 ARG A 58 0.193 4.322 1.216 1.00 0.00 H new ATOM 0 HH12 ARG A 58 0.478 4.134 2.950 1.00 0.00 H new ATOM 0 HH21 ARG A 58 1.474 0.773 2.726 1.00 0.00 H new ATOM 0 HH22 ARG A 58 1.192 2.154 3.791 1.00 0.00 H new ATOM 978 N ARG A 59 3.995 2.132 -4.832 1.00 0.00 N ATOM 979 CA ARG A 59 5.427 1.823 -5.039 1.00 0.00 C ATOM 980 C ARG A 59 6.288 3.062 -5.321 1.00 0.00 C ATOM 981 O ARG A 59 7.511 2.931 -5.334 1.00 0.00 O ATOM 982 CB ARG A 59 5.619 0.704 -6.088 1.00 0.00 C ATOM 983 CG ARG A 59 5.099 -0.656 -5.580 1.00 0.00 C ATOM 984 CD ARG A 59 5.258 -1.816 -6.579 1.00 0.00 C ATOM 985 NE ARG A 59 6.610 -2.410 -6.616 1.00 0.00 N ATOM 986 CZ ARG A 59 6.911 -3.605 -7.152 1.00 0.00 C ATOM 987 NH1 ARG A 59 5.974 -4.368 -7.705 1.00 0.00 N ATOM 988 NH2 ARG A 59 8.167 -4.021 -7.219 1.00 0.00 N ATOM 0 H ARG A 59 3.490 2.376 -5.684 1.00 0.00 H new ATOM 0 HA ARG A 59 5.799 1.439 -4.089 1.00 0.00 H new ATOM 0 HB2 ARG A 59 5.096 0.973 -7.006 1.00 0.00 H new ATOM 0 HB3 ARG A 59 6.677 0.618 -6.338 1.00 0.00 H new ATOM 0 HG2 ARG A 59 5.626 -0.911 -4.660 1.00 0.00 H new ATOM 0 HG3 ARG A 59 4.044 -0.555 -5.326 1.00 0.00 H new ATOM 0 HD2 ARG A 59 4.539 -2.596 -6.329 1.00 0.00 H new ATOM 0 HD3 ARG A 59 5.005 -1.457 -7.577 1.00 0.00 H new ATOM 0 HE ARG A 59 7.373 -1.873 -6.204 1.00 0.00 H new ATOM 0 HH11 ARG A 59 5.005 -4.050 -7.728 1.00 0.00 H new ATOM 0 HH12 ARG A 59 6.224 -5.272 -8.106 1.00 0.00 H new ATOM 0 HH21 ARG A 59 8.919 -3.432 -6.861 1.00 0.00 H new ATOM 0 HH22 ARG A 59 8.382 -4.930 -7.628 1.00 0.00 H new ATOM 1002 N ALA A 60 5.706 4.255 -5.494 1.00 0.00 N ATOM 1003 CA ALA A 60 6.442 5.440 -5.939 1.00 0.00 C ATOM 1004 C ALA A 60 6.925 6.341 -4.798 1.00 0.00 C ATOM 1005 O ALA A 60 7.782 7.188 -5.027 1.00 0.00 O ATOM 1006 CB ALA A 60 5.554 6.278 -6.861 1.00 0.00 C ATOM 0 H ALA A 60 4.714 4.424 -5.329 1.00 0.00 H new ATOM 0 HA ALA A 60 7.327 5.064 -6.453 1.00 0.00 H new ATOM 0 HB1 ALA A 60 6.103 7.160 -7.192 1.00 0.00 H new ATOM 0 HB2 ALA A 60 5.266 5.683 -7.728 1.00 0.00 H new ATOM 0 HB3 ALA A 60 4.660 6.589 -6.321 1.00 0.00 H new ATOM 1012 N LYS A 61 6.396 6.216 -3.576 1.00 0.00 N ATOM 1013 CA LYS A 61 6.652 7.161 -2.481 1.00 0.00 C ATOM 1014 C LYS A 61 8.141 7.234 -2.169 1.00 0.00 C ATOM 1015 O LYS A 61 8.717 8.317 -2.184 1.00 0.00 O ATOM 1016 CB LYS A 61 5.824 6.750 -1.251 1.00 0.00 C ATOM 1017 CG LYS A 61 6.106 7.545 0.046 1.00 0.00 C ATOM 1018 CD LYS A 61 6.541 6.621 1.196 1.00 0.00 C ATOM 1019 CE LYS A 61 6.909 7.400 2.471 1.00 0.00 C ATOM 1020 NZ LYS A 61 6.482 6.704 3.709 1.00 0.00 N ATOM 0 H LYS A 61 5.773 5.451 -3.316 1.00 0.00 H new ATOM 0 HA LYS A 61 6.344 8.162 -2.781 1.00 0.00 H new ATOM 0 HB2 LYS A 61 4.767 6.855 -1.496 1.00 0.00 H new ATOM 0 HB3 LYS A 61 6.002 5.693 -1.053 1.00 0.00 H new ATOM 0 HG2 LYS A 61 6.885 8.284 -0.142 1.00 0.00 H new ATOM 0 HG3 LYS A 61 5.211 8.094 0.339 1.00 0.00 H new ATOM 0 HD2 LYS A 61 5.735 5.922 1.421 1.00 0.00 H new ATOM 0 HD3 LYS A 61 7.398 6.028 0.877 1.00 0.00 H new ATOM 0 HE2 LYS A 61 7.988 7.554 2.499 1.00 0.00 H new ATOM 0 HE3 LYS A 61 6.447 8.386 2.436 1.00 0.00 H new ATOM 0 HZ1 LYS A 61 6.754 7.271 4.537 1.00 0.00 H new ATOM 0 HZ2 LYS A 61 5.450 6.579 3.699 1.00 0.00 H new ATOM 0 HZ3 LYS A 61 6.943 5.773 3.760 1.00 0.00 H new ATOM 1034 N TRP A 62 8.757 6.093 -1.868 1.00 0.00 N ATOM 1035 CA TRP A 62 10.168 6.025 -1.504 1.00 0.00 C ATOM 1036 C TRP A 62 11.020 6.580 -2.645 1.00 0.00 C ATOM 1037 O TRP A 62 11.880 7.431 -2.407 1.00 0.00 O ATOM 1038 CB TRP A 62 10.532 4.580 -1.136 1.00 0.00 C ATOM 1039 CG TRP A 62 9.532 3.913 -0.237 1.00 0.00 C ATOM 1040 CD1 TRP A 62 9.291 4.236 1.054 1.00 0.00 C ATOM 1041 CD2 TRP A 62 8.584 2.850 -0.559 1.00 0.00 C ATOM 1042 NE1 TRP A 62 8.210 3.514 1.518 1.00 0.00 N ATOM 1043 CE2 TRP A 62 7.728 2.650 0.562 1.00 0.00 C ATOM 1044 CE3 TRP A 62 8.341 2.050 -1.696 1.00 0.00 C ATOM 1045 CZ2 TRP A 62 6.653 1.750 0.539 1.00 0.00 C ATOM 1046 CZ3 TRP A 62 7.298 1.104 -1.714 1.00 0.00 C ATOM 1047 CH2 TRP A 62 6.435 0.974 -0.612 1.00 0.00 C ATOM 0 H TRP A 62 8.289 5.187 -1.870 1.00 0.00 H new ATOM 0 HA TRP A 62 10.368 6.641 -0.627 1.00 0.00 H new ATOM 0 HB2 TRP A 62 10.630 3.996 -2.051 1.00 0.00 H new ATOM 0 HB3 TRP A 62 11.506 4.574 -0.648 1.00 0.00 H new ATOM 0 HD1 TRP A 62 9.858 4.950 1.633 1.00 0.00 H new ATOM 0 HE1 TRP A 62 7.817 3.609 2.454 1.00 0.00 H new ATOM 0 HE3 TRP A 62 8.967 2.165 -2.569 1.00 0.00 H new ATOM 0 HZ2 TRP A 62 6.001 1.654 1.395 1.00 0.00 H new ATOM 0 HZ3 TRP A 62 7.160 0.474 -2.580 1.00 0.00 H new ATOM 0 HH2 TRP A 62 5.608 0.281 -0.650 1.00 0.00 H new ATOM 1058 N LYS A 63 10.718 6.152 -3.879 1.00 0.00 N ATOM 1059 CA LYS A 63 11.361 6.603 -5.094 1.00 0.00 C ATOM 1060 C LYS A 63 11.294 8.117 -5.220 1.00 0.00 C ATOM 1061 O LYS A 63 12.334 8.717 -5.427 1.00 0.00 O ATOM 1062 CB LYS A 63 10.724 5.913 -6.310 1.00 0.00 C ATOM 1063 CG LYS A 63 11.340 4.543 -6.634 1.00 0.00 C ATOM 1064 CD LYS A 63 10.552 3.348 -6.091 1.00 0.00 C ATOM 1065 CE LYS A 63 11.461 2.117 -6.136 1.00 0.00 C ATOM 1066 NZ LYS A 63 10.731 0.839 -6.063 1.00 0.00 N ATOM 0 H LYS A 63 9.991 5.457 -4.051 1.00 0.00 H new ATOM 0 HA LYS A 63 12.415 6.329 -5.054 1.00 0.00 H new ATOM 0 HB2 LYS A 63 9.657 5.788 -6.128 1.00 0.00 H new ATOM 0 HB3 LYS A 63 10.825 6.562 -7.180 1.00 0.00 H new ATOM 0 HG2 LYS A 63 11.426 4.444 -7.716 1.00 0.00 H new ATOM 0 HG3 LYS A 63 12.352 4.509 -6.230 1.00 0.00 H new ATOM 0 HD2 LYS A 63 10.224 3.541 -5.070 1.00 0.00 H new ATOM 0 HD3 LYS A 63 9.655 3.181 -6.688 1.00 0.00 H new ATOM 0 HE2 LYS A 63 12.044 2.140 -7.057 1.00 0.00 H new ATOM 0 HE3 LYS A 63 12.169 2.169 -5.309 1.00 0.00 H new ATOM 0 HZ1 LYS A 63 11.408 0.050 -6.099 1.00 0.00 H new ATOM 0 HZ2 LYS A 63 10.195 0.796 -5.173 1.00 0.00 H new ATOM 0 HZ3 LYS A 63 10.074 0.768 -6.866 1.00 0.00 H new ATOM 1080 N ARG A 64 10.127 8.749 -5.056 1.00 0.00 N ATOM 1081 CA ARG A 64 9.938 10.179 -5.305 1.00 0.00 C ATOM 1082 C ARG A 64 11.030 11.032 -4.663 1.00 0.00 C ATOM 1083 O ARG A 64 11.691 11.792 -5.368 1.00 0.00 O ATOM 1084 CB ARG A 64 8.512 10.620 -4.913 1.00 0.00 C ATOM 1085 CG ARG A 64 7.609 10.790 -6.144 1.00 0.00 C ATOM 1086 CD ARG A 64 7.997 12.033 -6.970 1.00 0.00 C ATOM 1087 NE ARG A 64 7.195 13.215 -6.622 1.00 0.00 N ATOM 1088 CZ ARG A 64 7.368 14.443 -7.130 1.00 0.00 C ATOM 1089 NH1 ARG A 64 8.440 14.734 -7.867 1.00 0.00 N ATOM 1090 NH2 ARG A 64 6.446 15.374 -6.900 1.00 0.00 N ATOM 0 H ARG A 64 9.279 8.276 -4.743 1.00 0.00 H new ATOM 0 HA ARG A 64 10.039 10.347 -6.377 1.00 0.00 H new ATOM 0 HB2 ARG A 64 8.075 9.882 -4.241 1.00 0.00 H new ATOM 0 HB3 ARG A 64 8.560 11.561 -4.365 1.00 0.00 H new ATOM 0 HG2 ARG A 64 7.677 9.901 -6.771 1.00 0.00 H new ATOM 0 HG3 ARG A 64 6.570 10.875 -5.824 1.00 0.00 H new ATOM 0 HD2 ARG A 64 9.052 12.255 -6.812 1.00 0.00 H new ATOM 0 HD3 ARG A 64 7.873 11.813 -8.030 1.00 0.00 H new ATOM 0 HE ARG A 64 6.447 13.090 -5.939 1.00 0.00 H new ATOM 0 HH11 ARG A 64 9.142 14.017 -8.051 1.00 0.00 H new ATOM 0 HH12 ARG A 64 8.558 15.673 -8.247 1.00 0.00 H new ATOM 0 HH21 ARG A 64 5.621 15.149 -6.344 1.00 0.00 H new ATOM 0 HH22 ARG A 64 6.564 16.313 -7.280 1.00 0.00 H new ATOM 1104 N ILE A 65 11.244 10.863 -3.360 1.00 0.00 N ATOM 1105 CA ILE A 65 12.258 11.577 -2.605 1.00 0.00 C ATOM 1106 C ILE A 65 13.671 11.067 -2.950 1.00 0.00 C ATOM 1107 O ILE A 65 14.615 11.859 -3.001 1.00 0.00 O ATOM 1108 CB ILE A 65 11.913 11.426 -1.106 1.00 0.00 C ATOM 1109 CG1 ILE A 65 10.541 12.063 -0.763 1.00 0.00 C ATOM 1110 CG2 ILE A 65 12.978 12.077 -0.211 1.00 0.00 C ATOM 1111 CD1 ILE A 65 9.313 11.154 -0.891 1.00 0.00 C ATOM 0 H ILE A 65 10.703 10.211 -2.792 1.00 0.00 H new ATOM 0 HA ILE A 65 12.264 12.636 -2.865 1.00 0.00 H new ATOM 0 HB ILE A 65 11.876 10.353 -0.915 1.00 0.00 H new ATOM 0 HG12 ILE A 65 10.584 12.436 0.260 1.00 0.00 H new ATOM 0 HG13 ILE A 65 10.395 12.927 -1.411 1.00 0.00 H new ATOM 0 HG21 ILE A 65 12.701 11.950 0.835 1.00 0.00 H new ATOM 0 HG22 ILE A 65 13.943 11.603 -0.391 1.00 0.00 H new ATOM 0 HG23 ILE A 65 13.047 13.140 -0.442 1.00 0.00 H new ATOM 0 HD11 ILE A 65 8.417 11.714 -0.625 1.00 0.00 H new ATOM 0 HD12 ILE A 65 9.228 10.800 -1.918 1.00 0.00 H new ATOM 0 HD13 ILE A 65 9.420 10.301 -0.221 1.00 0.00 H new ATOM 1123 N LYS A 66 13.859 9.752 -3.124 1.00 0.00 N ATOM 1124 CA LYS A 66 15.189 9.157 -3.286 1.00 0.00 C ATOM 1125 C LYS A 66 15.757 9.348 -4.703 1.00 0.00 C ATOM 1126 O LYS A 66 16.969 9.229 -4.897 1.00 0.00 O ATOM 1127 CB LYS A 66 15.126 7.680 -2.863 1.00 0.00 C ATOM 1128 CG LYS A 66 16.525 7.046 -2.773 1.00 0.00 C ATOM 1129 CD LYS A 66 16.549 5.863 -1.798 1.00 0.00 C ATOM 1130 CE LYS A 66 17.790 4.974 -1.957 1.00 0.00 C ATOM 1131 NZ LYS A 66 19.075 5.686 -1.789 1.00 0.00 N ATOM 0 H LYS A 66 13.097 9.075 -3.156 1.00 0.00 H new ATOM 0 HA LYS A 66 15.891 9.679 -2.636 1.00 0.00 H new ATOM 0 HB2 LYS A 66 14.629 7.601 -1.896 1.00 0.00 H new ATOM 0 HB3 LYS A 66 14.521 7.123 -3.579 1.00 0.00 H new ATOM 0 HG2 LYS A 66 16.836 6.709 -3.762 1.00 0.00 H new ATOM 0 HG3 LYS A 66 17.245 7.798 -2.451 1.00 0.00 H new ATOM 0 HD2 LYS A 66 16.509 6.241 -0.777 1.00 0.00 H new ATOM 0 HD3 LYS A 66 15.655 5.258 -1.949 1.00 0.00 H new ATOM 0 HE2 LYS A 66 17.739 4.165 -1.228 1.00 0.00 H new ATOM 0 HE3 LYS A 66 17.769 4.515 -2.945 1.00 0.00 H new ATOM 0 HZ1 LYS A 66 19.861 5.017 -1.911 1.00 0.00 H new ATOM 0 HZ2 LYS A 66 19.149 6.441 -2.500 1.00 0.00 H new ATOM 0 HZ3 LYS A 66 19.120 6.102 -0.837 1.00 0.00 H new ATOM 1145 N ALA A 67 14.910 9.619 -5.690 1.00 0.00 N ATOM 1146 CA ALA A 67 15.228 9.940 -7.068 1.00 0.00 C ATOM 1147 C ALA A 67 15.183 11.454 -7.252 1.00 0.00 C ATOM 1148 O ALA A 67 14.746 12.188 -6.363 1.00 0.00 O ATOM 1149 CB ALA A 67 14.194 9.264 -7.970 1.00 0.00 C ATOM 0 H ALA A 67 13.903 9.619 -5.529 1.00 0.00 H new ATOM 0 HA ALA A 67 16.226 9.585 -7.327 1.00 0.00 H new ATOM 0 HB1 ALA A 67 14.415 9.493 -9.012 1.00 0.00 H new ATOM 0 HB2 ALA A 67 14.230 8.185 -7.820 1.00 0.00 H new ATOM 0 HB3 ALA A 67 13.198 9.632 -7.721 1.00 0.00 H new ATOM 1155 N GLY A 68 15.598 11.910 -8.428 1.00 0.00 N ATOM 1156 CA GLY A 68 15.707 13.311 -8.789 1.00 0.00 C ATOM 1157 C GLY A 68 15.243 13.482 -10.221 1.00 0.00 C ATOM 1158 O GLY A 68 16.040 13.329 -11.144 1.00 0.00 O ATOM 0 H GLY A 68 15.878 11.285 -9.184 1.00 0.00 H new ATOM 0 HA2 GLY A 68 15.101 13.922 -8.120 1.00 0.00 H new ATOM 0 HA3 GLY A 68 16.738 13.649 -8.683 1.00 0.00 H new ATOM 1162 N ASN A 69 13.959 13.779 -10.422 1.00 0.00 N ATOM 1163 CA ASN A 69 13.493 14.211 -11.736 1.00 0.00 C ATOM 1164 C ASN A 69 13.932 15.653 -11.987 1.00 0.00 C ATOM 1165 O ASN A 69 14.151 16.392 -11.019 1.00 0.00 O ATOM 1166 CB ASN A 69 11.968 14.177 -11.785 1.00 0.00 C ATOM 1167 CG ASN A 69 11.503 14.043 -13.222 1.00 0.00 C ATOM 1168 OD1 ASN A 69 11.468 12.930 -13.740 1.00 0.00 O ATOM 1169 ND2 ASN A 69 11.111 15.120 -13.877 1.00 0.00 N ATOM 0 H ASN A 69 13.236 13.729 -9.705 1.00 0.00 H new ATOM 0 HA ASN A 69 13.913 13.543 -12.488 1.00 0.00 H new ATOM 0 HB2 ASN A 69 11.595 13.341 -11.193 1.00 0.00 H new ATOM 0 HB3 ASN A 69 11.561 15.087 -11.345 1.00 0.00 H new ATOM 0 HD21 ASN A 69 10.770 15.038 -14.835 1.00 0.00 H new ATOM 0 HD22 ASN A 69 11.149 16.034 -13.425 1.00 0.00 H new ATOM 1176 N VAL A 70 13.941 16.103 -13.240 1.00 0.00 N ATOM 1177 CA VAL A 70 14.100 17.515 -13.552 1.00 0.00 C ATOM 1178 C VAL A 70 12.951 18.314 -12.925 1.00 0.00 C ATOM 1179 O VAL A 70 11.791 17.877 -12.917 1.00 0.00 O ATOM 1180 CB VAL A 70 14.258 17.728 -15.077 1.00 0.00 C ATOM 1181 CG1 VAL A 70 13.121 17.111 -15.912 1.00 0.00 C ATOM 1182 CG2 VAL A 70 14.393 19.218 -15.425 1.00 0.00 C ATOM 0 H VAL A 70 13.839 15.503 -14.058 1.00 0.00 H new ATOM 0 HA VAL A 70 15.022 17.895 -13.111 1.00 0.00 H new ATOM 0 HB VAL A 70 15.175 17.202 -15.341 1.00 0.00 H new ATOM 0 HG11 VAL A 70 13.302 17.301 -16.970 1.00 0.00 H new ATOM 0 HG12 VAL A 70 13.084 16.036 -15.738 1.00 0.00 H new ATOM 0 HG13 VAL A 70 12.171 17.559 -15.620 1.00 0.00 H new ATOM 0 HG21 VAL A 70 14.502 19.331 -16.504 1.00 0.00 H new ATOM 0 HG22 VAL A 70 13.503 19.751 -15.092 1.00 0.00 H new ATOM 0 HG23 VAL A 70 15.270 19.630 -14.926 1.00 0.00 H new ATOM 1192 N SER A 71 13.285 19.486 -12.395 1.00 0.00 N ATOM 1193 CA SER A 71 12.363 20.512 -11.956 1.00 0.00 C ATOM 1194 C SER A 71 13.070 21.847 -12.096 1.00 0.00 C ATOM 1195 O SER A 71 12.525 22.738 -12.778 1.00 0.00 O ATOM 1196 CB SER A 71 11.833 20.223 -10.539 1.00 0.00 C ATOM 1197 OG SER A 71 12.840 19.788 -9.632 1.00 0.00 O ATOM 0 H SER A 71 14.259 19.754 -12.255 1.00 0.00 H new ATOM 0 HA SER A 71 11.466 20.531 -12.576 1.00 0.00 H new ATOM 0 HB2 SER A 71 11.365 21.125 -10.144 1.00 0.00 H new ATOM 0 HB3 SER A 71 11.056 19.461 -10.599 1.00 0.00 H new ATOM 0 HG SER A 71 12.440 19.624 -8.753 1.00 0.00 H new TER 1203 SER A 71