USER MOD reduce.3.24.130724 H: found=0, std=0, add=587, rem=0, adj=14 USER MOD reduce.3.24.130724 removed 585 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 Single : A 1 GLY N :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 2 SER OG : rot 180:sc= 0 USER MOD Single : A 3 SER OG : rot 180:sc= 0 USER MOD Single : A 5 SER OG : rot 180:sc= 0 USER MOD Single : A 6 SER OG : rot 180:sc= 0 USER MOD Single : A 11 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 19 HIS : no HD1:sc= -0.0194 X(o=-0.019,f=0) USER MOD Single : A 28 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 29 ASN : amide:sc= -0.126 K(o=-0.13,f=-0.95) USER MOD Single : A 33 THR OG1 : rot 180:sc= 0 USER MOD Single : A 36 SER OG : rot 180:sc= 0 USER MOD Single : A 37 GLN : amide:sc= -1.16 K(o=-1.2,f=-4.9!) USER MOD Single : A 38 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 41 HIS : no HD1:sc= 0 X(o=0,f=0) USER MOD Single : A 42 CYS SG : rot -105:sc= 0.501 USER MOD Single : A 48 ASN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 57 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 66 SER OG : rot 180:sc= 0 USER MOD Single : A 67 LYS NZ :NH3+ -169:sc= 0 (180deg=-0.064) USER MOD Single : A 69 TYR OH : rot 180:sc= 0 USER MOD Single : A 70 SER OG : rot 180:sc= 0 USER MOD Single : A 73 SER OG : rot 180:sc= 0 USER MOD Single : A 76 SER OG : rot 180:sc= 0 USER MOD Single : A 77 SER OG : rot 180:sc= 0 USER MOD ----------------------------------------------------------------- ATOM 1 N GLY A 1 8.658 -20.529 8.075 1.00 0.00 N ATOM 2 CA GLY A 1 9.324 -19.385 8.668 1.00 0.00 C ATOM 3 C GLY A 1 8.669 -18.936 9.959 1.00 0.00 C ATOM 4 O GLY A 1 7.493 -18.570 9.974 1.00 0.00 O ATOM 0 H1 GLY A 1 9.144 -20.796 7.195 1.00 0.00 H new ATOM 0 H2 GLY A 1 8.682 -21.328 8.740 1.00 0.00 H new ATOM 0 H3 GLY A 1 7.670 -20.284 7.864 1.00 0.00 H new ATOM 0 HA2 GLY A 1 10.367 -19.636 8.862 1.00 0.00 H new ATOM 0 HA3 GLY A 1 9.322 -18.559 7.957 1.00 0.00 H new ATOM 8 N SER A 2 9.429 -18.968 11.049 1.00 0.00 N ATOM 9 CA SER A 2 8.913 -18.567 12.352 1.00 0.00 C ATOM 10 C SER A 2 8.288 -17.178 12.286 1.00 0.00 C ATOM 11 O SER A 2 7.133 -16.985 12.666 1.00 0.00 O ATOM 12 CB SER A 2 10.032 -18.587 13.396 1.00 0.00 C ATOM 13 OG SER A 2 10.447 -19.911 13.675 1.00 0.00 O ATOM 0 H SER A 2 10.404 -19.267 11.055 1.00 0.00 H new ATOM 0 HA SER A 2 8.141 -19.279 12.644 1.00 0.00 H new ATOM 0 HB2 SER A 2 10.880 -18.005 13.035 1.00 0.00 H new ATOM 0 HB3 SER A 2 9.686 -18.110 14.313 1.00 0.00 H new ATOM 0 HG SER A 2 11.163 -19.895 14.343 1.00 0.00 H new ATOM 19 N SER A 3 9.060 -16.211 11.801 1.00 0.00 N ATOM 20 CA SER A 3 8.584 -14.837 11.686 1.00 0.00 C ATOM 21 C SER A 3 7.329 -14.767 10.823 1.00 0.00 C ATOM 22 O SER A 3 7.060 -15.663 10.024 1.00 0.00 O ATOM 23 CB SER A 3 9.676 -13.945 11.092 1.00 0.00 C ATOM 24 OG SER A 3 10.579 -13.509 12.094 1.00 0.00 O ATOM 0 H SER A 3 10.018 -16.353 11.481 1.00 0.00 H new ATOM 0 HA SER A 3 8.336 -14.480 12.685 1.00 0.00 H new ATOM 0 HB2 SER A 3 10.219 -14.493 10.322 1.00 0.00 H new ATOM 0 HB3 SER A 3 9.221 -13.081 10.607 1.00 0.00 H new ATOM 0 HG SER A 3 11.268 -12.942 11.689 1.00 0.00 H new ATOM 30 N GLY A 4 6.561 -13.693 10.990 1.00 0.00 N ATOM 31 CA GLY A 4 5.342 -13.524 10.222 1.00 0.00 C ATOM 32 C GLY A 4 4.909 -12.075 10.134 1.00 0.00 C ATOM 33 O GLY A 4 3.755 -11.748 10.413 1.00 0.00 O ATOM 0 H GLY A 4 6.763 -12.937 11.644 1.00 0.00 H new ATOM 0 HA2 GLY A 4 5.492 -13.917 9.216 1.00 0.00 H new ATOM 0 HA3 GLY A 4 4.545 -14.111 10.678 1.00 0.00 H new ATOM 37 N SER A 5 5.835 -11.204 9.747 1.00 0.00 N ATOM 38 CA SER A 5 5.542 -9.781 9.631 1.00 0.00 C ATOM 39 C SER A 5 4.263 -9.552 8.830 1.00 0.00 C ATOM 40 O SER A 5 3.728 -10.475 8.218 1.00 0.00 O ATOM 41 CB SER A 5 6.711 -9.052 8.965 1.00 0.00 C ATOM 42 OG SER A 5 6.894 -9.492 7.630 1.00 0.00 O ATOM 0 H SER A 5 6.794 -11.459 9.509 1.00 0.00 H new ATOM 0 HA SER A 5 5.397 -9.382 10.635 1.00 0.00 H new ATOM 0 HB2 SER A 5 6.527 -7.978 8.975 1.00 0.00 H new ATOM 0 HB3 SER A 5 7.623 -9.224 9.536 1.00 0.00 H new ATOM 0 HG SER A 5 7.646 -9.010 7.227 1.00 0.00 H new ATOM 48 N SER A 6 3.780 -8.314 8.839 1.00 0.00 N ATOM 49 CA SER A 6 2.562 -7.963 8.118 1.00 0.00 C ATOM 50 C SER A 6 2.876 -7.061 6.929 1.00 0.00 C ATOM 51 O SER A 6 3.375 -5.949 7.093 1.00 0.00 O ATOM 52 CB SER A 6 1.572 -7.267 9.053 1.00 0.00 C ATOM 53 OG SER A 6 1.178 -8.125 10.109 1.00 0.00 O ATOM 0 H SER A 6 4.214 -7.537 9.338 1.00 0.00 H new ATOM 0 HA SER A 6 2.112 -8.883 7.745 1.00 0.00 H new ATOM 0 HB2 SER A 6 2.027 -6.365 9.463 1.00 0.00 H new ATOM 0 HB3 SER A 6 0.694 -6.953 8.489 1.00 0.00 H new ATOM 0 HG SER A 6 0.547 -7.656 10.693 1.00 0.00 H new ATOM 59 N GLY A 7 2.579 -7.550 5.728 1.00 0.00 N ATOM 60 CA GLY A 7 2.836 -6.775 4.527 1.00 0.00 C ATOM 61 C GLY A 7 1.581 -6.537 3.711 1.00 0.00 C ATOM 62 O GLY A 7 0.868 -7.479 3.364 1.00 0.00 O ATOM 0 H GLY A 7 2.165 -8.468 5.565 1.00 0.00 H new ATOM 0 HA2 GLY A 7 3.273 -5.816 4.804 1.00 0.00 H new ATOM 0 HA3 GLY A 7 3.572 -7.295 3.913 1.00 0.00 H new ATOM 66 N ARG A 8 1.307 -5.273 3.407 1.00 0.00 N ATOM 67 CA ARG A 8 0.127 -4.913 2.629 1.00 0.00 C ATOM 68 C ARG A 8 0.504 -4.027 1.446 1.00 0.00 C ATOM 69 O ARG A 8 1.653 -3.602 1.318 1.00 0.00 O ATOM 70 CB ARG A 8 -0.893 -4.192 3.514 1.00 0.00 C ATOM 71 CG ARG A 8 -1.760 -5.136 4.334 1.00 0.00 C ATOM 72 CD ARG A 8 -2.853 -4.383 5.075 1.00 0.00 C ATOM 73 NE ARG A 8 -3.656 -5.269 5.915 1.00 0.00 N ATOM 74 CZ ARG A 8 -4.592 -6.082 5.437 1.00 0.00 C ATOM 75 NH1 ARG A 8 -4.842 -6.123 4.136 1.00 0.00 N ATOM 76 NH2 ARG A 8 -5.280 -6.859 6.265 1.00 0.00 N ATOM 0 H ARG A 8 1.885 -4.481 3.687 1.00 0.00 H new ATOM 0 HA ARG A 8 -0.318 -5.831 2.246 1.00 0.00 H new ATOM 0 HB2 ARG A 8 -0.365 -3.518 4.189 1.00 0.00 H new ATOM 0 HB3 ARG A 8 -1.535 -3.575 2.886 1.00 0.00 H new ATOM 0 HG2 ARG A 8 -2.210 -5.881 3.678 1.00 0.00 H new ATOM 0 HG3 ARG A 8 -1.138 -5.675 5.049 1.00 0.00 H new ATOM 0 HD2 ARG A 8 -2.403 -3.607 5.694 1.00 0.00 H new ATOM 0 HD3 ARG A 8 -3.500 -3.882 4.355 1.00 0.00 H new ATOM 0 HE ARG A 8 -3.489 -5.263 6.921 1.00 0.00 H new ATOM 0 HH11 ARG A 8 -4.315 -5.529 3.496 1.00 0.00 H new ATOM 0 HH12 ARG A 8 -5.562 -6.749 3.774 1.00 0.00 H new ATOM 0 HH21 ARG A 8 -5.090 -6.831 7.267 1.00 0.00 H new ATOM 0 HH22 ARG A 8 -5.999 -7.484 5.899 1.00 0.00 H new ATOM 90 N ARG A 9 -0.469 -3.753 0.583 1.00 0.00 N ATOM 91 CA ARG A 9 -0.237 -2.920 -0.590 1.00 0.00 C ATOM 92 C ARG A 9 -1.467 -2.071 -0.905 1.00 0.00 C ATOM 93 O ARG A 9 -2.583 -2.583 -0.979 1.00 0.00 O ATOM 94 CB ARG A 9 0.118 -3.788 -1.798 1.00 0.00 C ATOM 95 CG ARG A 9 1.373 -4.622 -1.599 1.00 0.00 C ATOM 96 CD ARG A 9 1.776 -5.338 -2.880 1.00 0.00 C ATOM 97 NE ARG A 9 2.526 -6.561 -2.611 1.00 0.00 N ATOM 98 CZ ARG A 9 2.850 -7.446 -3.548 1.00 0.00 C ATOM 99 NH1 ARG A 9 2.490 -7.243 -4.807 1.00 0.00 N ATOM 100 NH2 ARG A 9 3.536 -8.535 -3.225 1.00 0.00 N ATOM 0 H ARG A 9 -1.425 -4.096 0.674 1.00 0.00 H new ATOM 0 HA ARG A 9 0.598 -2.255 -0.372 1.00 0.00 H new ATOM 0 HB2 ARG A 9 -0.719 -4.452 -2.017 1.00 0.00 H new ATOM 0 HB3 ARG A 9 0.252 -3.147 -2.669 1.00 0.00 H new ATOM 0 HG2 ARG A 9 2.189 -3.980 -1.268 1.00 0.00 H new ATOM 0 HG3 ARG A 9 1.203 -5.354 -0.810 1.00 0.00 H new ATOM 0 HD2 ARG A 9 0.883 -5.580 -3.456 1.00 0.00 H new ATOM 0 HD3 ARG A 9 2.380 -4.670 -3.494 1.00 0.00 H new ATOM 0 HE ARG A 9 2.817 -6.747 -1.651 1.00 0.00 H new ATOM 0 HH11 ARG A 9 1.963 -6.406 -5.058 1.00 0.00 H new ATOM 0 HH12 ARG A 9 2.740 -7.923 -5.525 1.00 0.00 H new ATOM 0 HH21 ARG A 9 3.815 -8.693 -2.257 1.00 0.00 H new ATOM 0 HH22 ARG A 9 3.784 -9.214 -3.945 1.00 0.00 H new ATOM 114 N ALA A 10 -1.252 -0.773 -1.087 1.00 0.00 N ATOM 115 CA ALA A 10 -2.341 0.146 -1.396 1.00 0.00 C ATOM 116 C ALA A 10 -2.260 0.629 -2.840 1.00 0.00 C ATOM 117 O ALA A 10 -1.174 0.878 -3.362 1.00 0.00 O ATOM 118 CB ALA A 10 -2.319 1.329 -0.439 1.00 0.00 C ATOM 0 H ALA A 10 -0.334 -0.333 -1.026 1.00 0.00 H new ATOM 0 HA ALA A 10 -3.282 -0.390 -1.273 1.00 0.00 H new ATOM 0 HB1 ALA A 10 -3.137 2.008 -0.680 1.00 0.00 H new ATOM 0 HB2 ALA A 10 -2.434 0.971 0.584 1.00 0.00 H new ATOM 0 HB3 ALA A 10 -1.370 1.857 -0.534 1.00 0.00 H new ATOM 124 N LYS A 11 -3.416 0.759 -3.481 1.00 0.00 N ATOM 125 CA LYS A 11 -3.477 1.212 -4.865 1.00 0.00 C ATOM 126 C LYS A 11 -3.828 2.695 -4.936 1.00 0.00 C ATOM 127 O LYS A 11 -4.833 3.132 -4.377 1.00 0.00 O ATOM 128 CB LYS A 11 -4.509 0.396 -5.646 1.00 0.00 C ATOM 129 CG LYS A 11 -4.693 0.859 -7.081 1.00 0.00 C ATOM 130 CD LYS A 11 -5.995 0.347 -7.670 1.00 0.00 C ATOM 131 CE LYS A 11 -7.192 1.114 -7.130 1.00 0.00 C ATOM 132 NZ LYS A 11 -8.481 0.476 -7.518 1.00 0.00 N ATOM 0 H LYS A 11 -4.324 0.557 -3.064 1.00 0.00 H new ATOM 0 HA LYS A 11 -2.494 1.066 -5.312 1.00 0.00 H new ATOM 0 HB2 LYS A 11 -4.206 -0.651 -5.647 1.00 0.00 H new ATOM 0 HB3 LYS A 11 -5.468 0.450 -5.130 1.00 0.00 H new ATOM 0 HG2 LYS A 11 -4.680 1.948 -7.117 1.00 0.00 H new ATOM 0 HG3 LYS A 11 -3.857 0.510 -7.687 1.00 0.00 H new ATOM 0 HD2 LYS A 11 -5.964 0.437 -8.756 1.00 0.00 H new ATOM 0 HD3 LYS A 11 -6.107 -0.713 -7.441 1.00 0.00 H new ATOM 0 HE2 LYS A 11 -7.127 1.170 -6.043 1.00 0.00 H new ATOM 0 HE3 LYS A 11 -7.166 2.137 -7.504 1.00 0.00 H new ATOM 0 HZ1 LYS A 11 -9.272 1.029 -7.131 1.00 0.00 H new ATOM 0 HZ2 LYS A 11 -8.555 0.445 -8.555 1.00 0.00 H new ATOM 0 HZ3 LYS A 11 -8.517 -0.492 -7.140 1.00 0.00 H new ATOM 146 N ALA A 12 -2.993 3.464 -5.629 1.00 0.00 N ATOM 147 CA ALA A 12 -3.217 4.897 -5.776 1.00 0.00 C ATOM 148 C ALA A 12 -4.437 5.174 -6.647 1.00 0.00 C ATOM 149 O ALA A 12 -4.485 4.777 -7.813 1.00 0.00 O ATOM 150 CB ALA A 12 -1.982 5.565 -6.364 1.00 0.00 C ATOM 0 H ALA A 12 -2.155 3.118 -6.097 1.00 0.00 H new ATOM 0 HA ALA A 12 -3.407 5.315 -4.787 1.00 0.00 H new ATOM 0 HB1 ALA A 12 -2.162 6.635 -6.469 1.00 0.00 H new ATOM 0 HB2 ALA A 12 -1.131 5.403 -5.702 1.00 0.00 H new ATOM 0 HB3 ALA A 12 -1.767 5.136 -7.343 1.00 0.00 H new ATOM 156 N LEU A 13 -5.422 5.858 -6.075 1.00 0.00 N ATOM 157 CA LEU A 13 -6.644 6.189 -6.799 1.00 0.00 C ATOM 158 C LEU A 13 -6.422 7.377 -7.729 1.00 0.00 C ATOM 159 O LEU A 13 -7.236 7.650 -8.612 1.00 0.00 O ATOM 160 CB LEU A 13 -7.775 6.500 -5.816 1.00 0.00 C ATOM 161 CG LEU A 13 -8.127 5.390 -4.826 1.00 0.00 C ATOM 162 CD1 LEU A 13 -8.911 5.953 -3.651 1.00 0.00 C ATOM 163 CD2 LEU A 13 -8.918 4.289 -5.518 1.00 0.00 C ATOM 0 H LEU A 13 -5.398 6.194 -5.112 1.00 0.00 H new ATOM 0 HA LEU A 13 -6.923 5.326 -7.403 1.00 0.00 H new ATOM 0 HB2 LEU A 13 -7.503 7.391 -5.250 1.00 0.00 H new ATOM 0 HB3 LEU A 13 -8.669 6.746 -6.388 1.00 0.00 H new ATOM 0 HG LEU A 13 -7.200 4.960 -4.446 1.00 0.00 H new ATOM 0 HD11 LEU A 13 -9.153 5.149 -2.956 1.00 0.00 H new ATOM 0 HD12 LEU A 13 -8.310 6.705 -3.140 1.00 0.00 H new ATOM 0 HD13 LEU A 13 -9.832 6.409 -4.013 1.00 0.00 H new ATOM 0 HD21 LEU A 13 -9.160 3.507 -4.798 1.00 0.00 H new ATOM 0 HD22 LEU A 13 -9.840 4.704 -5.926 1.00 0.00 H new ATOM 0 HD23 LEU A 13 -8.322 3.866 -6.326 1.00 0.00 H new ATOM 175 N LEU A 14 -5.313 8.080 -7.527 1.00 0.00 N ATOM 176 CA LEU A 14 -4.980 9.240 -8.348 1.00 0.00 C ATOM 177 C LEU A 14 -3.482 9.523 -8.310 1.00 0.00 C ATOM 178 O LEU A 14 -2.725 8.823 -7.637 1.00 0.00 O ATOM 179 CB LEU A 14 -5.756 10.468 -7.868 1.00 0.00 C ATOM 180 CG LEU A 14 -5.718 10.739 -6.364 1.00 0.00 C ATOM 181 CD1 LEU A 14 -5.924 12.221 -6.083 1.00 0.00 C ATOM 182 CD2 LEU A 14 -6.772 9.907 -5.646 1.00 0.00 C ATOM 0 H LEU A 14 -4.628 7.867 -6.801 1.00 0.00 H new ATOM 0 HA LEU A 14 -5.262 9.019 -9.377 1.00 0.00 H new ATOM 0 HB2 LEU A 14 -5.366 11.345 -8.385 1.00 0.00 H new ATOM 0 HB3 LEU A 14 -6.797 10.356 -8.171 1.00 0.00 H new ATOM 0 HG LEU A 14 -4.737 10.451 -5.987 1.00 0.00 H new ATOM 0 HD11 LEU A 14 -5.894 12.395 -5.007 1.00 0.00 H new ATOM 0 HD12 LEU A 14 -5.134 12.796 -6.566 1.00 0.00 H new ATOM 0 HD13 LEU A 14 -6.892 12.534 -6.474 1.00 0.00 H new ATOM 0 HD21 LEU A 14 -6.731 10.112 -4.576 1.00 0.00 H new ATOM 0 HD22 LEU A 14 -7.760 10.164 -6.027 1.00 0.00 H new ATOM 0 HD23 LEU A 14 -6.580 8.848 -5.820 1.00 0.00 H new ATOM 194 N ASP A 15 -3.062 10.553 -9.035 1.00 0.00 N ATOM 195 CA ASP A 15 -1.655 10.931 -9.082 1.00 0.00 C ATOM 196 C ASP A 15 -1.303 11.865 -7.927 1.00 0.00 C ATOM 197 O ASP A 15 -1.631 13.051 -7.953 1.00 0.00 O ATOM 198 CB ASP A 15 -1.329 11.605 -10.415 1.00 0.00 C ATOM 199 CG ASP A 15 -1.428 10.648 -11.587 1.00 0.00 C ATOM 200 OD1 ASP A 15 -0.572 9.744 -11.689 1.00 0.00 O ATOM 201 OD2 ASP A 15 -2.361 10.802 -12.402 1.00 0.00 O ATOM 0 H ASP A 15 -3.676 11.141 -9.598 1.00 0.00 H new ATOM 0 HA ASP A 15 -1.059 10.024 -8.987 1.00 0.00 H new ATOM 0 HB2 ASP A 15 -2.011 12.440 -10.573 1.00 0.00 H new ATOM 0 HB3 ASP A 15 -0.322 12.020 -10.372 1.00 0.00 H new ATOM 206 N PHE A 16 -0.636 11.320 -6.915 1.00 0.00 N ATOM 207 CA PHE A 16 -0.242 12.104 -5.749 1.00 0.00 C ATOM 208 C PHE A 16 1.122 12.754 -5.966 1.00 0.00 C ATOM 209 O PHE A 16 2.102 12.074 -6.268 1.00 0.00 O ATOM 210 CB PHE A 16 -0.205 11.218 -4.502 1.00 0.00 C ATOM 211 CG PHE A 16 0.054 11.980 -3.233 1.00 0.00 C ATOM 212 CD1 PHE A 16 -0.714 13.086 -2.907 1.00 0.00 C ATOM 213 CD2 PHE A 16 1.063 11.589 -2.369 1.00 0.00 C ATOM 214 CE1 PHE A 16 -0.480 13.790 -1.739 1.00 0.00 C ATOM 215 CE2 PHE A 16 1.302 12.289 -1.201 1.00 0.00 C ATOM 216 CZ PHE A 16 0.530 13.390 -0.886 1.00 0.00 C ATOM 0 H PHE A 16 -0.357 10.340 -6.878 1.00 0.00 H new ATOM 0 HA PHE A 16 -0.981 12.892 -5.605 1.00 0.00 H new ATOM 0 HB2 PHE A 16 -1.155 10.691 -4.412 1.00 0.00 H new ATOM 0 HB3 PHE A 16 0.569 10.461 -4.627 1.00 0.00 H new ATOM 0 HD1 PHE A 16 -1.504 13.402 -3.572 1.00 0.00 H new ATOM 0 HD2 PHE A 16 1.669 10.728 -2.610 1.00 0.00 H new ATOM 0 HE1 PHE A 16 -1.086 14.650 -1.495 1.00 0.00 H new ATOM 0 HE2 PHE A 16 2.092 11.975 -0.535 1.00 0.00 H new ATOM 0 HZ PHE A 16 0.716 13.938 0.026 1.00 0.00 H new ATOM 226 N GLU A 17 1.173 14.073 -5.811 1.00 0.00 N ATOM 227 CA GLU A 17 2.416 14.814 -5.991 1.00 0.00 C ATOM 228 C GLU A 17 3.035 15.174 -4.643 1.00 0.00 C ATOM 229 O GLU A 17 2.616 16.129 -3.990 1.00 0.00 O ATOM 230 CB GLU A 17 2.163 16.085 -6.803 1.00 0.00 C ATOM 231 CG GLU A 17 2.301 15.888 -8.303 1.00 0.00 C ATOM 232 CD GLU A 17 3.719 16.106 -8.792 1.00 0.00 C ATOM 233 OE1 GLU A 17 4.132 17.278 -8.911 1.00 0.00 O ATOM 234 OE2 GLU A 17 4.417 15.105 -9.056 1.00 0.00 O ATOM 0 H GLU A 17 0.370 14.650 -5.562 1.00 0.00 H new ATOM 0 HA GLU A 17 3.114 14.177 -6.533 1.00 0.00 H new ATOM 0 HB2 GLU A 17 1.160 16.452 -6.584 1.00 0.00 H new ATOM 0 HB3 GLU A 17 2.862 16.857 -6.481 1.00 0.00 H new ATOM 0 HG2 GLU A 17 1.982 14.879 -8.564 1.00 0.00 H new ATOM 0 HG3 GLU A 17 1.633 16.577 -8.819 1.00 0.00 H new ATOM 241 N ARG A 18 4.034 14.400 -4.234 1.00 0.00 N ATOM 242 CA ARG A 18 4.712 14.635 -2.963 1.00 0.00 C ATOM 243 C ARG A 18 5.222 16.070 -2.876 1.00 0.00 C ATOM 244 O ARG A 18 5.911 16.551 -3.776 1.00 0.00 O ATOM 245 CB ARG A 18 5.876 13.657 -2.794 1.00 0.00 C ATOM 246 CG ARG A 18 7.148 14.097 -3.498 1.00 0.00 C ATOM 247 CD ARG A 18 8.040 12.912 -3.830 1.00 0.00 C ATOM 248 NE ARG A 18 9.014 13.231 -4.871 1.00 0.00 N ATOM 249 CZ ARG A 18 10.089 13.982 -4.665 1.00 0.00 C ATOM 250 NH1 ARG A 18 10.331 14.486 -3.463 1.00 0.00 N ATOM 251 NH2 ARG A 18 10.928 14.229 -5.663 1.00 0.00 N ATOM 0 H ARG A 18 4.393 13.605 -4.763 1.00 0.00 H new ATOM 0 HA ARG A 18 3.992 14.475 -2.160 1.00 0.00 H new ATOM 0 HB2 ARG A 18 6.084 13.533 -1.731 1.00 0.00 H new ATOM 0 HB3 ARG A 18 5.578 12.681 -3.177 1.00 0.00 H new ATOM 0 HG2 ARG A 18 6.892 14.629 -4.414 1.00 0.00 H new ATOM 0 HG3 ARG A 18 7.692 14.797 -2.864 1.00 0.00 H new ATOM 0 HD2 ARG A 18 8.564 12.590 -2.930 1.00 0.00 H new ATOM 0 HD3 ARG A 18 7.423 12.075 -4.156 1.00 0.00 H new ATOM 0 HE ARG A 18 8.860 12.856 -5.807 1.00 0.00 H new ATOM 0 HH11 ARG A 18 9.690 14.297 -2.692 1.00 0.00 H new ATOM 0 HH12 ARG A 18 11.158 15.063 -3.309 1.00 0.00 H new ATOM 0 HH21 ARG A 18 10.747 13.842 -6.589 1.00 0.00 H new ATOM 0 HH22 ARG A 18 11.754 14.806 -5.504 1.00 0.00 H new ATOM 265 N HIS A 19 4.877 16.750 -1.787 1.00 0.00 N ATOM 266 CA HIS A 19 5.300 18.130 -1.583 1.00 0.00 C ATOM 267 C HIS A 19 6.741 18.190 -1.081 1.00 0.00 C ATOM 268 O HIS A 19 7.542 18.991 -1.561 1.00 0.00 O ATOM 269 CB HIS A 19 4.374 18.828 -0.586 1.00 0.00 C ATOM 270 CG HIS A 19 4.263 20.305 -0.803 1.00 0.00 C ATOM 271 ND1 HIS A 19 4.592 21.234 0.163 1.00 0.00 N ATOM 272 CD2 HIS A 19 3.861 21.015 -1.883 1.00 0.00 C ATOM 273 CE1 HIS A 19 4.394 22.450 -0.314 1.00 0.00 C ATOM 274 NE2 HIS A 19 3.951 22.345 -1.554 1.00 0.00 N ATOM 0 H HIS A 19 4.306 16.368 -1.033 1.00 0.00 H new ATOM 0 HA HIS A 19 5.245 18.645 -2.542 1.00 0.00 H new ATOM 0 HB2 HIS A 19 3.381 18.384 -0.653 1.00 0.00 H new ATOM 0 HB3 HIS A 19 4.738 18.644 0.425 1.00 0.00 H new ATOM 0 HD2 HIS A 19 3.531 20.610 -2.828 1.00 0.00 H new ATOM 0 HE1 HIS A 19 4.565 23.373 0.219 1.00 0.00 H new ATOM 0 HE2 HIS A 19 3.714 23.125 -2.167 1.00 0.00 H new ATOM 283 N ASP A 20 7.060 17.337 -0.115 1.00 0.00 N ATOM 284 CA ASP A 20 8.404 17.290 0.451 1.00 0.00 C ATOM 285 C ASP A 20 9.020 15.905 0.278 1.00 0.00 C ATOM 286 O ASP A 20 8.308 14.918 0.096 1.00 0.00 O ATOM 287 CB ASP A 20 8.370 17.666 1.933 1.00 0.00 C ATOM 288 CG ASP A 20 9.661 18.309 2.397 1.00 0.00 C ATOM 289 OD1 ASP A 20 10.069 19.323 1.792 1.00 0.00 O ATOM 290 OD2 ASP A 20 10.265 17.801 3.365 1.00 0.00 O ATOM 0 H ASP A 20 6.407 16.668 0.293 1.00 0.00 H new ATOM 0 HA ASP A 20 9.022 18.011 -0.084 1.00 0.00 H new ATOM 0 HB2 ASP A 20 7.541 18.351 2.112 1.00 0.00 H new ATOM 0 HB3 ASP A 20 8.179 16.772 2.527 1.00 0.00 H new ATOM 295 N ASP A 21 10.346 15.841 0.334 1.00 0.00 N ATOM 296 CA ASP A 21 11.057 14.578 0.185 1.00 0.00 C ATOM 297 C ASP A 21 10.415 13.488 1.037 1.00 0.00 C ATOM 298 O ASP A 21 10.259 12.350 0.594 1.00 0.00 O ATOM 299 CB ASP A 21 12.527 14.746 0.572 1.00 0.00 C ATOM 300 CG ASP A 21 13.168 15.945 -0.097 1.00 0.00 C ATOM 301 OD1 ASP A 21 13.624 15.807 -1.250 1.00 0.00 O ATOM 302 OD2 ASP A 21 13.216 17.023 0.534 1.00 0.00 O ATOM 0 H ASP A 21 10.950 16.650 0.482 1.00 0.00 H new ATOM 0 HA ASP A 21 10.997 14.278 -0.861 1.00 0.00 H new ATOM 0 HB2 ASP A 21 12.605 14.853 1.654 1.00 0.00 H new ATOM 0 HB3 ASP A 21 13.077 13.845 0.300 1.00 0.00 H new ATOM 307 N ASP A 22 10.043 13.843 2.262 1.00 0.00 N ATOM 308 CA ASP A 22 9.418 12.897 3.178 1.00 0.00 C ATOM 309 C ASP A 22 8.176 12.272 2.547 1.00 0.00 C ATOM 310 O ASP A 22 7.989 11.056 2.596 1.00 0.00 O ATOM 311 CB ASP A 22 9.046 13.590 4.488 1.00 0.00 C ATOM 312 CG ASP A 22 10.225 14.302 5.121 1.00 0.00 C ATOM 313 OD1 ASP A 22 11.356 13.783 5.017 1.00 0.00 O ATOM 314 OD2 ASP A 22 10.017 15.378 5.721 1.00 0.00 O ATOM 0 H ASP A 22 10.164 14.781 2.644 1.00 0.00 H new ATOM 0 HA ASP A 22 10.136 12.104 3.389 1.00 0.00 H new ATOM 0 HB2 ASP A 22 8.248 14.309 4.302 1.00 0.00 H new ATOM 0 HB3 ASP A 22 8.653 12.852 5.187 1.00 0.00 H new ATOM 319 N GLU A 23 7.332 13.112 1.958 1.00 0.00 N ATOM 320 CA GLU A 23 6.107 12.641 1.321 1.00 0.00 C ATOM 321 C GLU A 23 6.424 11.687 0.175 1.00 0.00 C ATOM 322 O GLU A 23 7.342 11.924 -0.611 1.00 0.00 O ATOM 323 CB GLU A 23 5.287 13.825 0.804 1.00 0.00 C ATOM 324 CG GLU A 23 4.315 14.386 1.827 1.00 0.00 C ATOM 325 CD GLU A 23 3.089 13.512 2.008 1.00 0.00 C ATOM 326 OE1 GLU A 23 3.219 12.277 1.877 1.00 0.00 O ATOM 327 OE2 GLU A 23 2.002 14.062 2.283 1.00 0.00 O ATOM 0 H GLU A 23 7.473 14.121 1.908 1.00 0.00 H new ATOM 0 HA GLU A 23 5.522 12.103 2.067 1.00 0.00 H new ATOM 0 HB2 GLU A 23 5.967 14.617 0.489 1.00 0.00 H new ATOM 0 HB3 GLU A 23 4.731 13.512 -0.080 1.00 0.00 H new ATOM 0 HG2 GLU A 23 4.824 14.494 2.785 1.00 0.00 H new ATOM 0 HG3 GLU A 23 4.003 15.383 1.517 1.00 0.00 H new ATOM 334 N LEU A 24 5.656 10.606 0.084 1.00 0.00 N ATOM 335 CA LEU A 24 5.853 9.614 -0.968 1.00 0.00 C ATOM 336 C LEU A 24 4.936 9.888 -2.155 1.00 0.00 C ATOM 337 O LEU A 24 3.731 9.651 -2.090 1.00 0.00 O ATOM 338 CB LEU A 24 5.595 8.208 -0.424 1.00 0.00 C ATOM 339 CG LEU A 24 5.955 7.050 -1.356 1.00 0.00 C ATOM 340 CD1 LEU A 24 7.452 7.025 -1.622 1.00 0.00 C ATOM 341 CD2 LEU A 24 5.495 5.726 -0.766 1.00 0.00 C ATOM 0 H LEU A 24 4.892 10.394 0.725 1.00 0.00 H new ATOM 0 HA LEU A 24 6.886 9.682 -1.308 1.00 0.00 H new ATOM 0 HB2 LEU A 24 6.157 8.090 0.503 1.00 0.00 H new ATOM 0 HB3 LEU A 24 4.538 8.127 -0.169 1.00 0.00 H new ATOM 0 HG LEU A 24 5.440 7.200 -2.305 1.00 0.00 H new ATOM 0 HD11 LEU A 24 7.690 6.195 -2.287 1.00 0.00 H new ATOM 0 HD12 LEU A 24 7.754 7.962 -2.090 1.00 0.00 H new ATOM 0 HD13 LEU A 24 7.987 6.900 -0.680 1.00 0.00 H new ATOM 0 HD21 LEU A 24 5.760 4.914 -1.443 1.00 0.00 H new ATOM 0 HD22 LEU A 24 5.981 5.568 0.197 1.00 0.00 H new ATOM 0 HD23 LEU A 24 4.414 5.745 -0.628 1.00 0.00 H new ATOM 353 N GLY A 25 5.517 10.390 -3.241 1.00 0.00 N ATOM 354 CA GLY A 25 4.737 10.686 -4.429 1.00 0.00 C ATOM 355 C GLY A 25 4.488 9.457 -5.282 1.00 0.00 C ATOM 356 O GLY A 25 5.359 8.597 -5.414 1.00 0.00 O ATOM 0 H GLY A 25 6.513 10.597 -3.319 1.00 0.00 H new ATOM 0 HA2 GLY A 25 3.781 11.119 -4.134 1.00 0.00 H new ATOM 0 HA3 GLY A 25 5.257 11.437 -5.023 1.00 0.00 H new ATOM 360 N PHE A 26 3.295 9.371 -5.860 1.00 0.00 N ATOM 361 CA PHE A 26 2.933 8.238 -6.701 1.00 0.00 C ATOM 362 C PHE A 26 1.918 8.652 -7.764 1.00 0.00 C ATOM 363 O PHE A 26 1.260 9.685 -7.641 1.00 0.00 O ATOM 364 CB PHE A 26 2.360 7.105 -5.848 1.00 0.00 C ATOM 365 CG PHE A 26 1.415 7.577 -4.780 1.00 0.00 C ATOM 366 CD1 PHE A 26 0.116 7.943 -5.098 1.00 0.00 C ATOM 367 CD2 PHE A 26 1.824 7.657 -3.459 1.00 0.00 C ATOM 368 CE1 PHE A 26 -0.757 8.378 -4.119 1.00 0.00 C ATOM 369 CE2 PHE A 26 0.956 8.090 -2.475 1.00 0.00 C ATOM 370 CZ PHE A 26 -0.335 8.452 -2.805 1.00 0.00 C ATOM 0 H PHE A 26 2.562 10.073 -5.761 1.00 0.00 H new ATOM 0 HA PHE A 26 3.835 7.886 -7.202 1.00 0.00 H new ATOM 0 HB2 PHE A 26 1.840 6.400 -6.497 1.00 0.00 H new ATOM 0 HB3 PHE A 26 3.181 6.562 -5.381 1.00 0.00 H new ATOM 0 HD1 PHE A 26 -0.218 7.887 -6.124 1.00 0.00 H new ATOM 0 HD2 PHE A 26 2.833 7.378 -3.195 1.00 0.00 H new ATOM 0 HE1 PHE A 26 -1.766 8.659 -4.380 1.00 0.00 H new ATOM 0 HE2 PHE A 26 1.287 8.145 -1.448 1.00 0.00 H new ATOM 0 HZ PHE A 26 -1.014 8.793 -2.037 1.00 0.00 H new ATOM 380 N ARG A 27 1.799 7.838 -8.808 1.00 0.00 N ATOM 381 CA ARG A 27 0.867 8.119 -9.893 1.00 0.00 C ATOM 382 C ARG A 27 -0.431 7.339 -9.711 1.00 0.00 C ATOM 383 O ARG A 27 -0.609 6.631 -8.720 1.00 0.00 O ATOM 384 CB ARG A 27 1.501 7.769 -11.241 1.00 0.00 C ATOM 385 CG ARG A 27 2.557 8.763 -11.694 1.00 0.00 C ATOM 386 CD ARG A 27 3.553 9.062 -10.586 1.00 0.00 C ATOM 387 NE ARG A 27 4.804 9.608 -11.105 1.00 0.00 N ATOM 388 CZ ARG A 27 5.660 8.909 -11.843 1.00 0.00 C ATOM 389 NH1 ARG A 27 5.401 7.645 -12.148 1.00 0.00 N ATOM 390 NH2 ARG A 27 6.777 9.477 -12.280 1.00 0.00 N ATOM 0 H ARG A 27 2.336 6.979 -8.925 1.00 0.00 H new ATOM 0 HA ARG A 27 0.636 9.184 -9.873 1.00 0.00 H new ATOM 0 HB2 ARG A 27 1.951 6.779 -11.175 1.00 0.00 H new ATOM 0 HB3 ARG A 27 0.718 7.713 -11.998 1.00 0.00 H new ATOM 0 HG2 ARG A 27 3.084 8.365 -12.561 1.00 0.00 H new ATOM 0 HG3 ARG A 27 2.075 9.688 -12.011 1.00 0.00 H new ATOM 0 HD2 ARG A 27 3.112 9.770 -9.884 1.00 0.00 H new ATOM 0 HD3 ARG A 27 3.760 8.148 -10.029 1.00 0.00 H new ATOM 0 HE ARG A 27 5.033 10.578 -10.889 1.00 0.00 H new ATOM 0 HH11 ARG A 27 4.542 7.206 -11.816 1.00 0.00 H new ATOM 0 HH12 ARG A 27 6.060 7.112 -12.715 1.00 0.00 H new ATOM 0 HH21 ARG A 27 6.978 10.450 -12.049 1.00 0.00 H new ATOM 0 HH22 ARG A 27 7.434 8.941 -12.846 1.00 0.00 H new ATOM 404 N LYS A 28 -1.337 7.474 -10.675 1.00 0.00 N ATOM 405 CA LYS A 28 -2.619 6.781 -10.623 1.00 0.00 C ATOM 406 C LYS A 28 -2.438 5.283 -10.847 1.00 0.00 C ATOM 407 O LYS A 28 -1.604 4.864 -11.648 1.00 0.00 O ATOM 408 CB LYS A 28 -3.573 7.354 -11.673 1.00 0.00 C ATOM 409 CG LYS A 28 -4.944 6.699 -11.670 1.00 0.00 C ATOM 410 CD LYS A 28 -5.898 7.397 -12.626 1.00 0.00 C ATOM 411 CE LYS A 28 -7.305 6.828 -12.524 1.00 0.00 C ATOM 412 NZ LYS A 28 -8.215 7.415 -13.545 1.00 0.00 N ATOM 0 H LYS A 28 -1.206 8.057 -11.502 1.00 0.00 H new ATOM 0 HA LYS A 28 -3.046 6.932 -9.632 1.00 0.00 H new ATOM 0 HB2 LYS A 28 -3.690 8.424 -11.500 1.00 0.00 H new ATOM 0 HB3 LYS A 28 -3.126 7.238 -12.660 1.00 0.00 H new ATOM 0 HG2 LYS A 28 -4.848 5.650 -11.952 1.00 0.00 H new ATOM 0 HG3 LYS A 28 -5.357 6.722 -10.661 1.00 0.00 H new ATOM 0 HD2 LYS A 28 -5.919 8.464 -12.406 1.00 0.00 H new ATOM 0 HD3 LYS A 28 -5.534 7.290 -13.648 1.00 0.00 H new ATOM 0 HE2 LYS A 28 -7.269 5.746 -12.649 1.00 0.00 H new ATOM 0 HE3 LYS A 28 -7.704 7.021 -11.528 1.00 0.00 H new ATOM 0 HZ1 LYS A 28 -9.164 7.002 -13.443 1.00 0.00 H new ATOM 0 HZ2 LYS A 28 -8.269 8.445 -13.410 1.00 0.00 H new ATOM 0 HZ3 LYS A 28 -7.848 7.209 -14.496 1.00 0.00 H new ATOM 426 N ASN A 29 -3.226 4.484 -10.135 1.00 0.00 N ATOM 427 CA ASN A 29 -3.153 3.032 -10.259 1.00 0.00 C ATOM 428 C ASN A 29 -1.733 2.535 -10.001 1.00 0.00 C ATOM 429 O ASN A 29 -1.246 1.635 -10.686 1.00 0.00 O ATOM 430 CB ASN A 29 -3.615 2.593 -11.650 1.00 0.00 C ATOM 431 CG ASN A 29 -5.080 2.900 -11.895 1.00 0.00 C ATOM 432 OD1 ASN A 29 -5.893 2.884 -10.970 1.00 0.00 O ATOM 433 ND2 ASN A 29 -5.423 3.178 -13.149 1.00 0.00 N ATOM 0 H ASN A 29 -3.922 4.816 -9.467 1.00 0.00 H new ATOM 0 HA ASN A 29 -3.814 2.595 -9.510 1.00 0.00 H new ATOM 0 HB2 ASN A 29 -3.010 3.094 -12.406 1.00 0.00 H new ATOM 0 HB3 ASN A 29 -3.447 1.522 -11.765 1.00 0.00 H new ATOM 0 HD21 ASN A 29 -6.394 3.390 -13.377 1.00 0.00 H new ATOM 0 HD22 ASN A 29 -4.715 3.180 -13.883 1.00 0.00 H new ATOM 440 N ASP A 30 -1.076 3.127 -9.011 1.00 0.00 N ATOM 441 CA ASP A 30 0.287 2.743 -8.662 1.00 0.00 C ATOM 442 C ASP A 30 0.314 1.964 -7.351 1.00 0.00 C ATOM 443 O ASP A 30 -0.159 2.444 -6.321 1.00 0.00 O ATOM 444 CB ASP A 30 1.176 3.984 -8.548 1.00 0.00 C ATOM 445 CG ASP A 30 1.576 4.534 -9.904 1.00 0.00 C ATOM 446 OD1 ASP A 30 0.681 4.977 -10.653 1.00 0.00 O ATOM 447 OD2 ASP A 30 2.787 4.524 -10.212 1.00 0.00 O ATOM 0 H ASP A 30 -1.464 3.874 -8.436 1.00 0.00 H new ATOM 0 HA ASP A 30 0.670 2.100 -9.455 1.00 0.00 H new ATOM 0 HB2 ASP A 30 0.648 4.755 -7.987 1.00 0.00 H new ATOM 0 HB3 ASP A 30 2.073 3.735 -7.981 1.00 0.00 H new ATOM 452 N ILE A 31 0.866 0.757 -7.398 1.00 0.00 N ATOM 453 CA ILE A 31 0.955 -0.090 -6.215 1.00 0.00 C ATOM 454 C ILE A 31 2.079 0.369 -5.292 1.00 0.00 C ATOM 455 O ILE A 31 3.188 0.656 -5.743 1.00 0.00 O ATOM 456 CB ILE A 31 1.187 -1.565 -6.594 1.00 0.00 C ATOM 457 CG1 ILE A 31 0.143 -2.023 -7.615 1.00 0.00 C ATOM 458 CG2 ILE A 31 1.143 -2.444 -5.354 1.00 0.00 C ATOM 459 CD1 ILE A 31 -1.274 -1.998 -7.083 1.00 0.00 C ATOM 0 H ILE A 31 1.259 0.343 -8.243 1.00 0.00 H new ATOM 0 HA ILE A 31 0.002 -0.003 -5.693 1.00 0.00 H new ATOM 0 HB ILE A 31 2.175 -1.657 -7.046 1.00 0.00 H new ATOM 0 HG12 ILE A 31 0.203 -1.384 -8.496 1.00 0.00 H new ATOM 0 HG13 ILE A 31 0.383 -3.036 -7.939 1.00 0.00 H new ATOM 0 HG21 ILE A 31 1.309 -3.483 -5.639 1.00 0.00 H new ATOM 0 HG22 ILE A 31 1.921 -2.130 -4.658 1.00 0.00 H new ATOM 0 HG23 ILE A 31 0.168 -2.350 -4.876 1.00 0.00 H new ATOM 0 HD11 ILE A 31 -1.960 -2.335 -7.860 1.00 0.00 H new ATOM 0 HD12 ILE A 31 -1.350 -2.659 -6.220 1.00 0.00 H new ATOM 0 HD13 ILE A 31 -1.533 -0.982 -6.786 1.00 0.00 H new ATOM 471 N ILE A 32 1.783 0.436 -3.999 1.00 0.00 N ATOM 472 CA ILE A 32 2.770 0.856 -3.012 1.00 0.00 C ATOM 473 C ILE A 32 2.759 -0.064 -1.796 1.00 0.00 C ATOM 474 O ILE A 32 1.711 -0.313 -1.201 1.00 0.00 O ATOM 475 CB ILE A 32 2.520 2.304 -2.548 1.00 0.00 C ATOM 476 CG1 ILE A 32 2.460 3.245 -3.753 1.00 0.00 C ATOM 477 CG2 ILE A 32 3.606 2.744 -1.578 1.00 0.00 C ATOM 478 CD1 ILE A 32 1.622 4.481 -3.512 1.00 0.00 C ATOM 0 H ILE A 32 0.869 0.205 -3.610 1.00 0.00 H new ATOM 0 HA ILE A 32 3.745 0.801 -3.497 1.00 0.00 H new ATOM 0 HB ILE A 32 1.561 2.345 -2.031 1.00 0.00 H new ATOM 0 HG12 ILE A 32 3.473 3.548 -4.018 1.00 0.00 H new ATOM 0 HG13 ILE A 32 2.056 2.703 -4.608 1.00 0.00 H new ATOM 0 HG21 ILE A 32 3.416 3.769 -1.259 1.00 0.00 H new ATOM 0 HG22 ILE A 32 3.605 2.087 -0.708 1.00 0.00 H new ATOM 0 HG23 ILE A 32 4.577 2.692 -2.071 1.00 0.00 H new ATOM 0 HD11 ILE A 32 1.624 5.102 -4.408 1.00 0.00 H new ATOM 0 HD12 ILE A 32 0.599 4.187 -3.277 1.00 0.00 H new ATOM 0 HD13 ILE A 32 2.038 5.046 -2.678 1.00 0.00 H new ATOM 490 N THR A 33 3.935 -0.567 -1.431 1.00 0.00 N ATOM 491 CA THR A 33 4.061 -1.459 -0.286 1.00 0.00 C ATOM 492 C THR A 33 3.945 -0.691 1.026 1.00 0.00 C ATOM 493 O THR A 33 4.518 0.389 1.176 1.00 0.00 O ATOM 494 CB THR A 33 5.404 -2.213 -0.308 1.00 0.00 C ATOM 495 OG1 THR A 33 5.482 -3.038 -1.476 1.00 0.00 O ATOM 496 CG2 THR A 33 5.561 -3.075 0.936 1.00 0.00 C ATOM 0 H THR A 33 4.813 -0.371 -1.912 1.00 0.00 H new ATOM 0 HA THR A 33 3.246 -2.179 -0.355 1.00 0.00 H new ATOM 0 HB THR A 33 6.208 -1.478 -0.326 1.00 0.00 H new ATOM 0 HG1 THR A 33 6.339 -3.513 -1.484 1.00 0.00 H new ATOM 0 HG21 THR A 33 6.517 -3.598 0.898 1.00 0.00 H new ATOM 0 HG22 THR A 33 5.528 -2.443 1.823 1.00 0.00 H new ATOM 0 HG23 THR A 33 4.751 -3.803 0.979 1.00 0.00 H new ATOM 504 N ILE A 34 3.201 -1.255 1.972 1.00 0.00 N ATOM 505 CA ILE A 34 3.013 -0.622 3.271 1.00 0.00 C ATOM 506 C ILE A 34 3.986 -1.184 4.303 1.00 0.00 C ATOM 507 O ILE A 34 3.893 -2.350 4.689 1.00 0.00 O ATOM 508 CB ILE A 34 1.573 -0.811 3.785 1.00 0.00 C ATOM 509 CG1 ILE A 34 0.571 -0.231 2.784 1.00 0.00 C ATOM 510 CG2 ILE A 34 1.407 -0.156 5.148 1.00 0.00 C ATOM 511 CD1 ILE A 34 -0.866 -0.312 3.251 1.00 0.00 C ATOM 0 H ILE A 34 2.720 -2.148 1.863 1.00 0.00 H new ATOM 0 HA ILE A 34 3.206 0.442 3.135 1.00 0.00 H new ATOM 0 HB ILE A 34 1.377 -1.878 3.890 1.00 0.00 H new ATOM 0 HG12 ILE A 34 0.824 0.812 2.592 1.00 0.00 H new ATOM 0 HG13 ILE A 34 0.667 -0.762 1.837 1.00 0.00 H new ATOM 0 HG21 ILE A 34 0.384 -0.298 5.498 1.00 0.00 H new ATOM 0 HG22 ILE A 34 2.099 -0.610 5.857 1.00 0.00 H new ATOM 0 HG23 ILE A 34 1.618 0.910 5.067 1.00 0.00 H new ATOM 0 HD11 ILE A 34 -1.520 0.117 2.492 1.00 0.00 H new ATOM 0 HD12 ILE A 34 -1.137 -1.355 3.416 1.00 0.00 H new ATOM 0 HD13 ILE A 34 -0.978 0.243 4.182 1.00 0.00 H new ATOM 523 N ILE A 35 4.917 -0.347 4.746 1.00 0.00 N ATOM 524 CA ILE A 35 5.905 -0.758 5.734 1.00 0.00 C ATOM 525 C ILE A 35 5.383 -0.554 7.152 1.00 0.00 C ATOM 526 O ILE A 35 5.186 -1.515 7.896 1.00 0.00 O ATOM 527 CB ILE A 35 7.225 0.019 5.569 1.00 0.00 C ATOM 528 CG1 ILE A 35 7.713 -0.063 4.120 1.00 0.00 C ATOM 529 CG2 ILE A 35 8.282 -0.523 6.519 1.00 0.00 C ATOM 530 CD1 ILE A 35 8.207 -1.437 3.726 1.00 0.00 C ATOM 0 H ILE A 35 5.008 0.621 4.436 1.00 0.00 H new ATOM 0 HA ILE A 35 6.094 -1.819 5.567 1.00 0.00 H new ATOM 0 HB ILE A 35 7.045 1.066 5.815 1.00 0.00 H new ATOM 0 HG12 ILE A 35 6.900 0.227 3.454 1.00 0.00 H new ATOM 0 HG13 ILE A 35 8.517 0.659 3.974 1.00 0.00 H new ATOM 0 HG21 ILE A 35 9.208 0.037 6.390 1.00 0.00 H new ATOM 0 HG22 ILE A 35 7.935 -0.419 7.547 1.00 0.00 H new ATOM 0 HG23 ILE A 35 8.461 -1.576 6.302 1.00 0.00 H new ATOM 0 HD11 ILE A 35 8.537 -1.421 2.687 1.00 0.00 H new ATOM 0 HD12 ILE A 35 9.041 -1.721 4.367 1.00 0.00 H new ATOM 0 HD13 ILE A 35 7.399 -2.160 3.839 1.00 0.00 H new ATOM 542 N SER A 36 5.159 0.704 7.519 1.00 0.00 N ATOM 543 CA SER A 36 4.661 1.035 8.849 1.00 0.00 C ATOM 544 C SER A 36 3.481 1.997 8.762 1.00 0.00 C ATOM 545 O SER A 36 3.251 2.624 7.728 1.00 0.00 O ATOM 546 CB SER A 36 5.776 1.656 9.695 1.00 0.00 C ATOM 547 OG SER A 36 5.593 1.367 11.070 1.00 0.00 O ATOM 0 H SER A 36 5.314 1.510 6.914 1.00 0.00 H new ATOM 0 HA SER A 36 4.324 0.113 9.323 1.00 0.00 H new ATOM 0 HB2 SER A 36 6.742 1.275 9.365 1.00 0.00 H new ATOM 0 HB3 SER A 36 5.792 2.736 9.546 1.00 0.00 H new ATOM 0 HG SER A 36 6.319 1.773 11.589 1.00 0.00 H new ATOM 553 N GLN A 37 2.733 2.105 9.856 1.00 0.00 N ATOM 554 CA GLN A 37 1.573 2.989 9.904 1.00 0.00 C ATOM 555 C GLN A 37 1.753 4.065 10.969 1.00 0.00 C ATOM 556 O GLN A 37 1.229 3.951 12.078 1.00 0.00 O ATOM 557 CB GLN A 37 0.304 2.184 10.183 1.00 0.00 C ATOM 558 CG GLN A 37 0.111 1.004 9.245 1.00 0.00 C ATOM 559 CD GLN A 37 -0.192 1.436 7.823 1.00 0.00 C ATOM 560 OE1 GLN A 37 0.669 1.976 7.129 1.00 0.00 O ATOM 561 NE2 GLN A 37 -1.420 1.196 7.380 1.00 0.00 N ATOM 0 H GLN A 37 2.909 1.592 10.720 1.00 0.00 H new ATOM 0 HA GLN A 37 1.478 3.477 8.934 1.00 0.00 H new ATOM 0 HB2 GLN A 37 0.334 1.820 11.210 1.00 0.00 H new ATOM 0 HB3 GLN A 37 -0.559 2.845 10.104 1.00 0.00 H new ATOM 0 HG2 GLN A 37 1.011 0.389 9.250 1.00 0.00 H new ATOM 0 HG3 GLN A 37 -0.704 0.381 9.613 1.00 0.00 H new ATOM 0 HE21 GLN A 37 -2.103 0.746 7.989 1.00 0.00 H new ATOM 0 HE22 GLN A 37 -1.681 1.462 6.430 1.00 0.00 H new ATOM 570 N LYS A 38 2.499 5.112 10.627 1.00 0.00 N ATOM 571 CA LYS A 38 2.746 6.210 11.554 1.00 0.00 C ATOM 572 C LYS A 38 1.445 6.698 12.181 1.00 0.00 C ATOM 573 O LYS A 38 1.328 6.784 13.403 1.00 0.00 O ATOM 574 CB LYS A 38 3.442 7.366 10.831 1.00 0.00 C ATOM 575 CG LYS A 38 4.946 7.186 10.703 1.00 0.00 C ATOM 576 CD LYS A 38 5.643 7.354 12.042 1.00 0.00 C ATOM 577 CE LYS A 38 6.000 8.810 12.307 1.00 0.00 C ATOM 578 NZ LYS A 38 6.557 9.003 13.674 1.00 0.00 N ATOM 0 H LYS A 38 2.942 5.222 9.715 1.00 0.00 H new ATOM 0 HA LYS A 38 3.394 5.842 12.349 1.00 0.00 H new ATOM 0 HB2 LYS A 38 3.011 7.473 9.835 1.00 0.00 H new ATOM 0 HB3 LYS A 38 3.240 8.293 11.367 1.00 0.00 H new ATOM 0 HG2 LYS A 38 5.162 6.196 10.301 1.00 0.00 H new ATOM 0 HG3 LYS A 38 5.341 7.912 9.992 1.00 0.00 H new ATOM 0 HD2 LYS A 38 4.996 6.986 12.839 1.00 0.00 H new ATOM 0 HD3 LYS A 38 6.548 6.747 12.061 1.00 0.00 H new ATOM 0 HE2 LYS A 38 6.727 9.146 11.568 1.00 0.00 H new ATOM 0 HE3 LYS A 38 5.112 9.430 12.186 1.00 0.00 H new ATOM 0 HZ1 LYS A 38 6.788 10.007 13.816 1.00 0.00 H new ATOM 0 HZ2 LYS A 38 5.854 8.706 14.380 1.00 0.00 H new ATOM 0 HZ3 LYS A 38 7.419 8.431 13.782 1.00 0.00 H new ATOM 592 N ASP A 39 0.469 7.017 11.336 1.00 0.00 N ATOM 593 CA ASP A 39 -0.824 7.494 11.809 1.00 0.00 C ATOM 594 C ASP A 39 -1.963 6.732 11.137 1.00 0.00 C ATOM 595 O ASP A 39 -1.750 6.017 10.158 1.00 0.00 O ATOM 596 CB ASP A 39 -0.969 8.992 11.538 1.00 0.00 C ATOM 597 CG ASP A 39 -2.123 9.611 12.302 1.00 0.00 C ATOM 598 OD1 ASP A 39 -2.144 9.489 13.545 1.00 0.00 O ATOM 599 OD2 ASP A 39 -3.006 10.216 11.658 1.00 0.00 O ATOM 0 H ASP A 39 0.550 6.953 10.321 1.00 0.00 H new ATOM 0 HA ASP A 39 -0.877 7.320 12.884 1.00 0.00 H new ATOM 0 HB2 ASP A 39 -0.043 9.499 11.811 1.00 0.00 H new ATOM 0 HB3 ASP A 39 -1.117 9.152 10.470 1.00 0.00 H new ATOM 604 N GLU A 40 -3.170 6.890 11.671 1.00 0.00 N ATOM 605 CA GLU A 40 -4.340 6.212 11.125 1.00 0.00 C ATOM 606 C GLU A 40 -4.623 6.682 9.700 1.00 0.00 C ATOM 607 O GLU A 40 -5.043 5.898 8.848 1.00 0.00 O ATOM 608 CB GLU A 40 -5.562 6.467 12.010 1.00 0.00 C ATOM 609 CG GLU A 40 -5.589 5.619 13.270 1.00 0.00 C ATOM 610 CD GLU A 40 -5.902 4.163 12.987 1.00 0.00 C ATOM 611 OE1 GLU A 40 -7.036 3.872 12.551 1.00 0.00 O ATOM 612 OE2 GLU A 40 -5.011 3.313 13.201 1.00 0.00 O ATOM 0 H GLU A 40 -3.363 7.481 12.480 1.00 0.00 H new ATOM 0 HA GLU A 40 -4.133 5.142 11.103 1.00 0.00 H new ATOM 0 HB2 GLU A 40 -5.583 7.520 12.291 1.00 0.00 H new ATOM 0 HB3 GLU A 40 -6.465 6.273 11.432 1.00 0.00 H new ATOM 0 HG2 GLU A 40 -4.623 5.688 13.771 1.00 0.00 H new ATOM 0 HG3 GLU A 40 -6.334 6.020 13.957 1.00 0.00 H new ATOM 619 N HIS A 41 -4.391 7.966 9.448 1.00 0.00 N ATOM 620 CA HIS A 41 -4.620 8.541 8.128 1.00 0.00 C ATOM 621 C HIS A 41 -3.331 8.559 7.312 1.00 0.00 C ATOM 622 O HIS A 41 -3.354 8.371 6.095 1.00 0.00 O ATOM 623 CB HIS A 41 -5.176 9.959 8.255 1.00 0.00 C ATOM 624 CG HIS A 41 -6.280 10.083 9.260 1.00 0.00 C ATOM 625 ND1 HIS A 41 -6.345 11.101 10.186 1.00 0.00 N ATOM 626 CD2 HIS A 41 -7.369 9.308 9.479 1.00 0.00 C ATOM 627 CE1 HIS A 41 -7.424 10.947 10.933 1.00 0.00 C ATOM 628 NE2 HIS A 41 -8.063 9.866 10.523 1.00 0.00 N ATOM 0 H HIS A 41 -4.044 8.629 10.142 1.00 0.00 H new ATOM 0 HA HIS A 41 -5.349 7.918 7.610 1.00 0.00 H new ATOM 0 HB2 HIS A 41 -4.366 10.634 8.532 1.00 0.00 H new ATOM 0 HB3 HIS A 41 -5.544 10.285 7.282 1.00 0.00 H new ATOM 0 HD2 HIS A 41 -7.641 8.416 8.933 1.00 0.00 H new ATOM 0 HE1 HIS A 41 -7.731 11.595 11.741 1.00 0.00 H new ATOM 0 HE2 HIS A 41 -8.931 9.505 10.918 1.00 0.00 H new ATOM 637 N CYS A 42 -2.211 8.783 7.989 1.00 0.00 N ATOM 638 CA CYS A 42 -0.912 8.826 7.326 1.00 0.00 C ATOM 639 C CYS A 42 -0.201 7.481 7.436 1.00 0.00 C ATOM 640 O CYS A 42 0.044 6.985 8.535 1.00 0.00 O ATOM 641 CB CYS A 42 -0.043 9.928 7.934 1.00 0.00 C ATOM 642 SG CYS A 42 -0.741 11.588 7.779 1.00 0.00 S ATOM 0 H CYS A 42 -2.176 8.938 8.997 1.00 0.00 H new ATOM 0 HA CYS A 42 -1.076 9.044 6.271 1.00 0.00 H new ATOM 0 HB2 CYS A 42 0.116 9.709 8.990 1.00 0.00 H new ATOM 0 HB3 CYS A 42 0.936 9.911 7.454 1.00 0.00 H new ATOM 0 HG CYS A 42 -0.098 12.245 6.860 1.00 0.00 H new ATOM 648 N TRP A 43 0.125 6.895 6.288 1.00 0.00 N ATOM 649 CA TRP A 43 0.806 5.606 6.255 1.00 0.00 C ATOM 650 C TRP A 43 2.160 5.724 5.563 1.00 0.00 C ATOM 651 O TRP A 43 2.362 6.596 4.717 1.00 0.00 O ATOM 652 CB TRP A 43 -0.059 4.567 5.541 1.00 0.00 C ATOM 653 CG TRP A 43 -1.310 4.220 6.288 1.00 0.00 C ATOM 654 CD1 TRP A 43 -1.571 4.463 7.607 1.00 0.00 C ATOM 655 CD2 TRP A 43 -2.470 3.566 5.761 1.00 0.00 C ATOM 656 NE1 TRP A 43 -2.824 3.999 7.931 1.00 0.00 N ATOM 657 CE2 TRP A 43 -3.396 3.446 6.815 1.00 0.00 C ATOM 658 CE3 TRP A 43 -2.818 3.075 4.501 1.00 0.00 C ATOM 659 CZ2 TRP A 43 -4.644 2.852 6.647 1.00 0.00 C ATOM 660 CZ3 TRP A 43 -4.057 2.484 4.334 1.00 0.00 C ATOM 661 CH2 TRP A 43 -4.957 2.377 5.402 1.00 0.00 C ATOM 0 H TRP A 43 -0.071 7.292 5.369 1.00 0.00 H new ATOM 0 HA TRP A 43 0.972 5.284 7.283 1.00 0.00 H new ATOM 0 HB2 TRP A 43 -0.327 4.944 4.554 1.00 0.00 H new ATOM 0 HB3 TRP A 43 0.527 3.661 5.388 1.00 0.00 H new ATOM 0 HD1 TRP A 43 -0.893 4.948 8.294 1.00 0.00 H new ATOM 0 HE1 TRP A 43 -3.258 4.057 8.852 1.00 0.00 H new ATOM 0 HE3 TRP A 43 -2.131 3.155 3.671 1.00 0.00 H new ATOM 0 HZ2 TRP A 43 -5.340 2.769 7.469 1.00 0.00 H new ATOM 0 HZ3 TRP A 43 -4.335 2.099 3.364 1.00 0.00 H new ATOM 0 HH2 TRP A 43 -5.917 1.910 5.240 1.00 0.00 H new ATOM 672 N VAL A 44 3.083 4.840 5.925 1.00 0.00 N ATOM 673 CA VAL A 44 4.418 4.844 5.337 1.00 0.00 C ATOM 674 C VAL A 44 4.644 3.603 4.480 1.00 0.00 C ATOM 675 O VAL A 44 4.676 2.483 4.987 1.00 0.00 O ATOM 676 CB VAL A 44 5.509 4.911 6.421 1.00 0.00 C ATOM 677 CG1 VAL A 44 6.892 4.855 5.791 1.00 0.00 C ATOM 678 CG2 VAL A 44 5.348 6.169 7.261 1.00 0.00 C ATOM 0 H VAL A 44 2.932 4.111 6.623 1.00 0.00 H new ATOM 0 HA VAL A 44 4.485 5.733 4.710 1.00 0.00 H new ATOM 0 HB VAL A 44 5.399 4.047 7.076 1.00 0.00 H new ATOM 0 HG11 VAL A 44 7.650 4.904 6.573 1.00 0.00 H new ATOM 0 HG12 VAL A 44 7.002 3.923 5.236 1.00 0.00 H new ATOM 0 HG13 VAL A 44 7.017 5.698 5.112 1.00 0.00 H new ATOM 0 HG21 VAL A 44 6.127 6.200 8.022 1.00 0.00 H new ATOM 0 HG22 VAL A 44 5.431 7.047 6.621 1.00 0.00 H new ATOM 0 HG23 VAL A 44 4.370 6.162 7.743 1.00 0.00 H new ATOM 688 N GLY A 45 4.801 3.811 3.176 1.00 0.00 N ATOM 689 CA GLY A 45 5.023 2.701 2.269 1.00 0.00 C ATOM 690 C GLY A 45 6.329 2.825 1.509 1.00 0.00 C ATOM 691 O GLY A 45 7.164 3.667 1.834 1.00 0.00 O ATOM 0 H GLY A 45 4.778 4.729 2.732 1.00 0.00 H new ATOM 0 HA2 GLY A 45 5.022 1.769 2.834 1.00 0.00 H new ATOM 0 HA3 GLY A 45 4.197 2.645 1.560 1.00 0.00 H new ATOM 695 N GLU A 46 6.505 1.983 0.496 1.00 0.00 N ATOM 696 CA GLU A 46 7.721 2.001 -0.308 1.00 0.00 C ATOM 697 C GLU A 46 7.390 1.932 -1.796 1.00 0.00 C ATOM 698 O GLU A 46 6.604 1.088 -2.231 1.00 0.00 O ATOM 699 CB GLU A 46 8.632 0.832 0.077 1.00 0.00 C ATOM 700 CG GLU A 46 10.043 0.954 -0.474 1.00 0.00 C ATOM 701 CD GLU A 46 10.087 0.895 -1.987 1.00 0.00 C ATOM 702 OE1 GLU A 46 9.249 0.181 -2.577 1.00 0.00 O ATOM 703 OE2 GLU A 46 10.958 1.562 -2.584 1.00 0.00 O ATOM 0 H GLU A 46 5.822 1.281 0.213 1.00 0.00 H new ATOM 0 HA GLU A 46 8.242 2.938 -0.111 1.00 0.00 H new ATOM 0 HB2 GLU A 46 8.680 0.762 1.164 1.00 0.00 H new ATOM 0 HB3 GLU A 46 8.189 -0.097 -0.283 1.00 0.00 H new ATOM 0 HG2 GLU A 46 10.480 1.895 -0.138 1.00 0.00 H new ATOM 0 HG3 GLU A 46 10.659 0.153 -0.065 1.00 0.00 H new ATOM 710 N LEU A 47 7.992 2.826 -2.573 1.00 0.00 N ATOM 711 CA LEU A 47 7.761 2.868 -4.012 1.00 0.00 C ATOM 712 C LEU A 47 8.963 3.465 -4.739 1.00 0.00 C ATOM 713 O LEU A 47 9.598 4.397 -4.247 1.00 0.00 O ATOM 714 CB LEU A 47 6.506 3.685 -4.324 1.00 0.00 C ATOM 715 CG LEU A 47 6.005 3.621 -5.767 1.00 0.00 C ATOM 716 CD1 LEU A 47 5.093 2.420 -5.963 1.00 0.00 C ATOM 717 CD2 LEU A 47 5.282 4.907 -6.137 1.00 0.00 C ATOM 0 H LEU A 47 8.644 3.532 -2.230 1.00 0.00 H new ATOM 0 HA LEU A 47 7.618 1.846 -4.362 1.00 0.00 H new ATOM 0 HB2 LEU A 47 5.704 3.347 -3.667 1.00 0.00 H new ATOM 0 HB3 LEU A 47 6.704 4.728 -4.075 1.00 0.00 H new ATOM 0 HG LEU A 47 6.866 3.509 -6.426 1.00 0.00 H new ATOM 0 HD11 LEU A 47 4.746 2.391 -6.996 1.00 0.00 H new ATOM 0 HD12 LEU A 47 5.642 1.506 -5.739 1.00 0.00 H new ATOM 0 HD13 LEU A 47 4.236 2.501 -5.295 1.00 0.00 H new ATOM 0 HD21 LEU A 47 4.932 4.844 -7.167 1.00 0.00 H new ATOM 0 HD22 LEU A 47 4.430 5.049 -5.472 1.00 0.00 H new ATOM 0 HD23 LEU A 47 5.965 5.750 -6.037 1.00 0.00 H new ATOM 729 N ASN A 48 9.266 2.923 -5.915 1.00 0.00 N ATOM 730 CA ASN A 48 10.391 3.403 -6.709 1.00 0.00 C ATOM 731 C ASN A 48 11.620 3.628 -5.834 1.00 0.00 C ATOM 732 O ASN A 48 12.353 4.599 -6.014 1.00 0.00 O ATOM 733 CB ASN A 48 10.017 4.702 -7.427 1.00 0.00 C ATOM 734 CG ASN A 48 9.189 4.456 -8.674 1.00 0.00 C ATOM 735 OD1 ASN A 48 9.697 3.964 -9.682 1.00 0.00 O ATOM 736 ND2 ASN A 48 7.908 4.799 -8.611 1.00 0.00 N ATOM 0 H ASN A 48 8.749 2.152 -6.338 1.00 0.00 H new ATOM 0 HA ASN A 48 10.631 2.641 -7.450 1.00 0.00 H new ATOM 0 HB2 ASN A 48 9.459 5.343 -6.745 1.00 0.00 H new ATOM 0 HB3 ASN A 48 10.926 5.239 -7.698 1.00 0.00 H new ATOM 0 HD21 ASN A 48 7.302 4.658 -9.419 1.00 0.00 H new ATOM 0 HD22 ASN A 48 7.530 5.204 -7.754 1.00 0.00 H new ATOM 743 N GLY A 49 11.838 2.722 -4.886 1.00 0.00 N ATOM 744 CA GLY A 49 12.980 2.839 -3.997 1.00 0.00 C ATOM 745 C GLY A 49 12.891 4.056 -3.099 1.00 0.00 C ATOM 746 O GLY A 49 13.911 4.652 -2.745 1.00 0.00 O ATOM 0 H GLY A 49 11.245 1.909 -4.717 1.00 0.00 H new ATOM 0 HA2 GLY A 49 13.052 1.942 -3.382 1.00 0.00 H new ATOM 0 HA3 GLY A 49 13.894 2.894 -4.589 1.00 0.00 H new ATOM 750 N LEU A 50 11.673 4.429 -2.727 1.00 0.00 N ATOM 751 CA LEU A 50 11.455 5.585 -1.865 1.00 0.00 C ATOM 752 C LEU A 50 10.574 5.218 -0.675 1.00 0.00 C ATOM 753 O LEU A 50 9.525 4.596 -0.835 1.00 0.00 O ATOM 754 CB LEU A 50 10.812 6.724 -2.658 1.00 0.00 C ATOM 755 CG LEU A 50 11.485 7.083 -3.982 1.00 0.00 C ATOM 756 CD1 LEU A 50 10.657 8.108 -4.742 1.00 0.00 C ATOM 757 CD2 LEU A 50 12.893 7.606 -3.740 1.00 0.00 C ATOM 0 H LEU A 50 10.819 3.947 -3.009 1.00 0.00 H new ATOM 0 HA LEU A 50 12.424 5.914 -1.489 1.00 0.00 H new ATOM 0 HB2 LEU A 50 9.775 6.458 -2.861 1.00 0.00 H new ATOM 0 HB3 LEU A 50 10.796 7.614 -2.029 1.00 0.00 H new ATOM 0 HG LEU A 50 11.553 6.180 -4.589 1.00 0.00 H new ATOM 0 HD11 LEU A 50 11.152 8.351 -5.682 1.00 0.00 H new ATOM 0 HD12 LEU A 50 9.669 7.697 -4.948 1.00 0.00 H new ATOM 0 HD13 LEU A 50 10.556 9.012 -4.141 1.00 0.00 H new ATOM 0 HD21 LEU A 50 13.357 7.857 -4.694 1.00 0.00 H new ATOM 0 HD22 LEU A 50 12.848 8.497 -3.113 1.00 0.00 H new ATOM 0 HD23 LEU A 50 13.485 6.840 -3.239 1.00 0.00 H new ATOM 769 N ARG A 51 11.008 5.610 0.519 1.00 0.00 N ATOM 770 CA ARG A 51 10.258 5.323 1.737 1.00 0.00 C ATOM 771 C ARG A 51 9.797 6.615 2.407 1.00 0.00 C ATOM 772 O ARG A 51 10.603 7.362 2.960 1.00 0.00 O ATOM 773 CB ARG A 51 11.115 4.510 2.708 1.00 0.00 C ATOM 774 CG ARG A 51 11.004 3.007 2.504 1.00 0.00 C ATOM 775 CD ARG A 51 11.857 2.246 3.506 1.00 0.00 C ATOM 776 NE ARG A 51 13.210 2.011 3.008 1.00 0.00 N ATOM 777 CZ ARG A 51 13.480 1.286 1.929 1.00 0.00 C ATOM 778 NH1 ARG A 51 12.497 0.727 1.238 1.00 0.00 N ATOM 779 NH2 ARG A 51 14.738 1.120 1.538 1.00 0.00 N ATOM 0 H ARG A 51 11.874 6.127 0.669 1.00 0.00 H new ATOM 0 HA ARG A 51 9.378 4.740 1.465 1.00 0.00 H new ATOM 0 HB2 ARG A 51 12.158 4.808 2.596 1.00 0.00 H new ATOM 0 HB3 ARG A 51 10.822 4.753 3.729 1.00 0.00 H new ATOM 0 HG2 ARG A 51 9.963 2.701 2.604 1.00 0.00 H new ATOM 0 HG3 ARG A 51 11.315 2.752 1.491 1.00 0.00 H new ATOM 0 HD2 ARG A 51 11.907 2.807 4.439 1.00 0.00 H new ATOM 0 HD3 ARG A 51 11.384 1.291 3.733 1.00 0.00 H new ATOM 0 HE ARG A 51 13.990 2.427 3.517 1.00 0.00 H new ATOM 0 HH11 ARG A 51 11.529 0.853 1.535 1.00 0.00 H new ATOM 0 HH12 ARG A 51 12.708 0.171 0.410 1.00 0.00 H new ATOM 0 HH21 ARG A 51 15.497 1.549 2.067 1.00 0.00 H new ATOM 0 HH22 ARG A 51 14.945 0.563 0.709 1.00 0.00 H new ATOM 793 N GLY A 52 8.493 6.869 2.355 1.00 0.00 N ATOM 794 CA GLY A 52 7.946 8.071 2.961 1.00 0.00 C ATOM 795 C GLY A 52 6.502 7.899 3.386 1.00 0.00 C ATOM 796 O GLY A 52 5.943 6.807 3.283 1.00 0.00 O ATOM 0 H GLY A 52 7.805 6.265 1.905 1.00 0.00 H new ATOM 0 HA2 GLY A 52 8.547 8.343 3.829 1.00 0.00 H new ATOM 0 HA3 GLY A 52 8.017 8.896 2.253 1.00 0.00 H new ATOM 800 N TRP A 53 5.897 8.979 3.866 1.00 0.00 N ATOM 801 CA TRP A 53 4.508 8.944 4.310 1.00 0.00 C ATOM 802 C TRP A 53 3.568 9.382 3.193 1.00 0.00 C ATOM 803 O TRP A 53 4.004 9.926 2.178 1.00 0.00 O ATOM 804 CB TRP A 53 4.320 9.840 5.534 1.00 0.00 C ATOM 805 CG TRP A 53 4.428 11.302 5.221 1.00 0.00 C ATOM 806 CD1 TRP A 53 5.571 12.003 4.962 1.00 0.00 C ATOM 807 CD2 TRP A 53 3.350 12.243 5.136 1.00 0.00 C ATOM 808 NE1 TRP A 53 5.270 13.321 4.722 1.00 0.00 N ATOM 809 CE2 TRP A 53 3.915 13.494 4.822 1.00 0.00 C ATOM 810 CE3 TRP A 53 1.966 12.148 5.294 1.00 0.00 C ATOM 811 CZ2 TRP A 53 3.141 14.640 4.664 1.00 0.00 C ATOM 812 CZ3 TRP A 53 1.199 13.286 5.136 1.00 0.00 C ATOM 813 CH2 TRP A 53 1.787 14.519 4.823 1.00 0.00 C ATOM 0 H TRP A 53 6.346 9.890 3.958 1.00 0.00 H new ATOM 0 HA TRP A 53 4.265 7.917 4.581 1.00 0.00 H new ATOM 0 HB2 TRP A 53 3.343 9.641 5.975 1.00 0.00 H new ATOM 0 HB3 TRP A 53 5.067 9.580 6.284 1.00 0.00 H new ATOM 0 HD1 TRP A 53 6.566 11.582 4.948 1.00 0.00 H new ATOM 0 HE1 TRP A 53 5.946 14.053 4.504 1.00 0.00 H new ATOM 0 HE3 TRP A 53 1.504 11.202 5.535 1.00 0.00 H new ATOM 0 HZ2 TRP A 53 3.593 15.591 4.424 1.00 0.00 H new ATOM 0 HZ3 TRP A 53 0.127 13.224 5.256 1.00 0.00 H new ATOM 0 HH2 TRP A 53 1.160 15.390 4.705 1.00 0.00 H new ATOM 824 N PHE A 54 2.275 9.142 3.387 1.00 0.00 N ATOM 825 CA PHE A 54 1.272 9.512 2.393 1.00 0.00 C ATOM 826 C PHE A 54 -0.137 9.275 2.929 1.00 0.00 C ATOM 827 O PHE A 54 -0.368 8.414 3.779 1.00 0.00 O ATOM 828 CB PHE A 54 1.481 8.714 1.104 1.00 0.00 C ATOM 829 CG PHE A 54 1.256 7.238 1.271 1.00 0.00 C ATOM 830 CD1 PHE A 54 -0.029 6.727 1.377 1.00 0.00 C ATOM 831 CD2 PHE A 54 2.327 6.361 1.320 1.00 0.00 C ATOM 832 CE1 PHE A 54 -0.239 5.369 1.529 1.00 0.00 C ATOM 833 CE2 PHE A 54 2.122 5.003 1.472 1.00 0.00 C ATOM 834 CZ PHE A 54 0.838 4.507 1.577 1.00 0.00 C ATOM 0 H PHE A 54 1.897 8.694 4.222 1.00 0.00 H new ATOM 0 HA PHE A 54 1.386 10.574 2.176 1.00 0.00 H new ATOM 0 HB2 PHE A 54 0.804 9.092 0.338 1.00 0.00 H new ATOM 0 HB3 PHE A 54 2.496 8.880 0.743 1.00 0.00 H new ATOM 0 HD1 PHE A 54 -0.875 7.397 1.340 1.00 0.00 H new ATOM 0 HD2 PHE A 54 3.334 6.743 1.238 1.00 0.00 H new ATOM 0 HE1 PHE A 54 -1.244 4.983 1.610 1.00 0.00 H new ATOM 0 HE2 PHE A 54 2.966 4.330 1.509 1.00 0.00 H new ATOM 0 HZ PHE A 54 0.676 3.446 1.697 1.00 0.00 H new ATOM 844 N PRO A 55 -1.102 10.056 2.422 1.00 0.00 N ATOM 845 CA PRO A 55 -2.505 9.950 2.834 1.00 0.00 C ATOM 846 C PRO A 55 -3.157 8.661 2.347 1.00 0.00 C ATOM 847 O PRO A 55 -3.267 8.426 1.144 1.00 0.00 O ATOM 848 CB PRO A 55 -3.161 11.165 2.172 1.00 0.00 C ATOM 849 CG PRO A 55 -2.297 11.469 0.997 1.00 0.00 C ATOM 850 CD PRO A 55 -0.898 11.101 1.405 1.00 0.00 C ATOM 0 HA PRO A 55 -2.611 9.929 3.919 1.00 0.00 H new ATOM 0 HB2 PRO A 55 -4.183 10.945 1.865 1.00 0.00 H new ATOM 0 HB3 PRO A 55 -3.209 12.011 2.857 1.00 0.00 H new ATOM 0 HG2 PRO A 55 -2.612 10.898 0.123 1.00 0.00 H new ATOM 0 HG3 PRO A 55 -2.360 12.523 0.728 1.00 0.00 H new ATOM 0 HD2 PRO A 55 -0.317 10.731 0.560 1.00 0.00 H new ATOM 0 HD3 PRO A 55 -0.360 11.957 1.811 1.00 0.00 H new ATOM 858 N ALA A 56 -3.588 7.829 3.289 1.00 0.00 N ATOM 859 CA ALA A 56 -4.231 6.565 2.956 1.00 0.00 C ATOM 860 C ALA A 56 -5.480 6.791 2.108 1.00 0.00 C ATOM 861 O ALA A 56 -5.767 6.021 1.191 1.00 0.00 O ATOM 862 CB ALA A 56 -4.584 5.801 4.223 1.00 0.00 C ATOM 0 H ALA A 56 -3.503 8.008 4.290 1.00 0.00 H new ATOM 0 HA ALA A 56 -3.528 5.972 2.371 1.00 0.00 H new ATOM 0 HB1 ALA A 56 -5.064 4.859 3.958 1.00 0.00 H new ATOM 0 HB2 ALA A 56 -3.676 5.599 4.791 1.00 0.00 H new ATOM 0 HB3 ALA A 56 -5.266 6.397 4.829 1.00 0.00 H new ATOM 868 N LYS A 57 -6.217 7.850 2.420 1.00 0.00 N ATOM 869 CA LYS A 57 -7.434 8.179 1.687 1.00 0.00 C ATOM 870 C LYS A 57 -7.159 8.273 0.189 1.00 0.00 C ATOM 871 O LYS A 57 -7.995 7.894 -0.630 1.00 0.00 O ATOM 872 CB LYS A 57 -8.019 9.500 2.193 1.00 0.00 C ATOM 873 CG LYS A 57 -7.155 10.708 1.876 1.00 0.00 C ATOM 874 CD LYS A 57 -7.592 11.929 2.667 1.00 0.00 C ATOM 875 CE LYS A 57 -8.654 12.724 1.925 1.00 0.00 C ATOM 876 NZ LYS A 57 -9.397 13.642 2.834 1.00 0.00 N ATOM 0 H LYS A 57 -5.993 8.497 3.176 1.00 0.00 H new ATOM 0 HA LYS A 57 -8.157 7.381 1.857 1.00 0.00 H new ATOM 0 HB2 LYS A 57 -9.005 9.643 1.752 1.00 0.00 H new ATOM 0 HB3 LYS A 57 -8.158 9.436 3.272 1.00 0.00 H new ATOM 0 HG2 LYS A 57 -6.113 10.481 2.102 1.00 0.00 H new ATOM 0 HG3 LYS A 57 -7.210 10.926 0.809 1.00 0.00 H new ATOM 0 HD2 LYS A 57 -7.981 11.616 3.636 1.00 0.00 H new ATOM 0 HD3 LYS A 57 -6.729 12.566 2.861 1.00 0.00 H new ATOM 0 HE2 LYS A 57 -8.185 13.302 1.129 1.00 0.00 H new ATOM 0 HE3 LYS A 57 -9.355 12.038 1.450 1.00 0.00 H new ATOM 0 HZ1 LYS A 57 -10.112 14.166 2.290 1.00 0.00 H new ATOM 0 HZ2 LYS A 57 -9.866 13.088 3.579 1.00 0.00 H new ATOM 0 HZ3 LYS A 57 -8.732 14.313 3.268 1.00 0.00 H new ATOM 890 N PHE A 58 -5.982 8.783 -0.160 1.00 0.00 N ATOM 891 CA PHE A 58 -5.596 8.928 -1.558 1.00 0.00 C ATOM 892 C PHE A 58 -5.498 7.565 -2.239 1.00 0.00 C ATOM 893 O PHE A 58 -5.804 7.425 -3.423 1.00 0.00 O ATOM 894 CB PHE A 58 -4.258 9.663 -1.668 1.00 0.00 C ATOM 895 CG PHE A 58 -4.401 11.155 -1.752 1.00 0.00 C ATOM 896 CD1 PHE A 58 -4.925 11.876 -0.690 1.00 0.00 C ATOM 897 CD2 PHE A 58 -4.010 11.840 -2.892 1.00 0.00 C ATOM 898 CE1 PHE A 58 -5.058 13.250 -0.765 1.00 0.00 C ATOM 899 CE2 PHE A 58 -4.140 13.213 -2.972 1.00 0.00 C ATOM 900 CZ PHE A 58 -4.664 13.920 -1.907 1.00 0.00 C ATOM 0 H PHE A 58 -5.279 9.103 0.507 1.00 0.00 H new ATOM 0 HA PHE A 58 -6.365 9.513 -2.062 1.00 0.00 H new ATOM 0 HB2 PHE A 58 -3.643 9.413 -0.804 1.00 0.00 H new ATOM 0 HB3 PHE A 58 -3.728 9.306 -2.551 1.00 0.00 H new ATOM 0 HD1 PHE A 58 -5.233 11.358 0.206 1.00 0.00 H new ATOM 0 HD2 PHE A 58 -3.599 11.294 -3.728 1.00 0.00 H new ATOM 0 HE1 PHE A 58 -5.470 13.799 0.069 1.00 0.00 H new ATOM 0 HE2 PHE A 58 -3.832 13.734 -3.867 1.00 0.00 H new ATOM 0 HZ PHE A 58 -4.765 14.994 -1.967 1.00 0.00 H new ATOM 910 N VAL A 59 -5.064 6.562 -1.481 1.00 0.00 N ATOM 911 CA VAL A 59 -4.925 5.210 -2.009 1.00 0.00 C ATOM 912 C VAL A 59 -6.000 4.288 -1.449 1.00 0.00 C ATOM 913 O VAL A 59 -6.789 4.686 -0.593 1.00 0.00 O ATOM 914 CB VAL A 59 -3.539 4.621 -1.685 1.00 0.00 C ATOM 915 CG1 VAL A 59 -2.438 5.588 -2.094 1.00 0.00 C ATOM 916 CG2 VAL A 59 -3.439 4.283 -0.204 1.00 0.00 C ATOM 0 H VAL A 59 -4.803 6.661 -0.500 1.00 0.00 H new ATOM 0 HA VAL A 59 -5.038 5.280 -3.091 1.00 0.00 H new ATOM 0 HB VAL A 59 -3.411 3.701 -2.256 1.00 0.00 H new ATOM 0 HG11 VAL A 59 -1.466 5.154 -1.857 1.00 0.00 H new ATOM 0 HG12 VAL A 59 -2.499 5.777 -3.166 1.00 0.00 H new ATOM 0 HG13 VAL A 59 -2.558 6.526 -1.552 1.00 0.00 H new ATOM 0 HG21 VAL A 59 -2.454 3.868 0.009 1.00 0.00 H new ATOM 0 HG22 VAL A 59 -3.587 5.187 0.386 1.00 0.00 H new ATOM 0 HG23 VAL A 59 -4.205 3.551 0.055 1.00 0.00 H new ATOM 926 N GLU A 60 -6.027 3.051 -1.939 1.00 0.00 N ATOM 927 CA GLU A 60 -7.008 2.072 -1.487 1.00 0.00 C ATOM 928 C GLU A 60 -6.321 0.797 -1.006 1.00 0.00 C ATOM 929 O GLU A 60 -5.407 0.288 -1.655 1.00 0.00 O ATOM 930 CB GLU A 60 -7.989 1.742 -2.613 1.00 0.00 C ATOM 931 CG GLU A 60 -9.293 1.133 -2.126 1.00 0.00 C ATOM 932 CD GLU A 60 -9.914 1.918 -0.986 1.00 0.00 C ATOM 933 OE1 GLU A 60 -9.865 3.165 -1.030 1.00 0.00 O ATOM 934 OE2 GLU A 60 -10.448 1.287 -0.051 1.00 0.00 O ATOM 0 H GLU A 60 -5.381 2.705 -2.648 1.00 0.00 H new ATOM 0 HA GLU A 60 -7.558 2.506 -0.652 1.00 0.00 H new ATOM 0 HB2 GLU A 60 -8.209 2.653 -3.170 1.00 0.00 H new ATOM 0 HB3 GLU A 60 -7.512 1.051 -3.308 1.00 0.00 H new ATOM 0 HG2 GLU A 60 -9.999 1.084 -2.955 1.00 0.00 H new ATOM 0 HG3 GLU A 60 -9.112 0.109 -1.801 1.00 0.00 H new ATOM 941 N VAL A 61 -6.768 0.286 0.136 1.00 0.00 N ATOM 942 CA VAL A 61 -6.199 -0.930 0.705 1.00 0.00 C ATOM 943 C VAL A 61 -6.559 -2.150 -0.135 1.00 0.00 C ATOM 944 O VAL A 61 -7.658 -2.237 -0.685 1.00 0.00 O ATOM 945 CB VAL A 61 -6.683 -1.154 2.150 1.00 0.00 C ATOM 946 CG1 VAL A 61 -5.916 -2.298 2.798 1.00 0.00 C ATOM 947 CG2 VAL A 61 -6.538 0.123 2.963 1.00 0.00 C ATOM 0 H VAL A 61 -7.523 0.695 0.686 1.00 0.00 H new ATOM 0 HA VAL A 61 -5.117 -0.801 0.709 1.00 0.00 H new ATOM 0 HB VAL A 61 -7.739 -1.424 2.124 1.00 0.00 H new ATOM 0 HG11 VAL A 61 -6.271 -2.442 3.818 1.00 0.00 H new ATOM 0 HG12 VAL A 61 -6.074 -3.212 2.226 1.00 0.00 H new ATOM 0 HG13 VAL A 61 -4.852 -2.060 2.814 1.00 0.00 H new ATOM 0 HG21 VAL A 61 -6.884 -0.053 3.981 1.00 0.00 H new ATOM 0 HG22 VAL A 61 -5.491 0.425 2.983 1.00 0.00 H new ATOM 0 HG23 VAL A 61 -7.135 0.914 2.508 1.00 0.00 H new ATOM 957 N LEU A 62 -5.628 -3.094 -0.229 1.00 0.00 N ATOM 958 CA LEU A 62 -5.847 -4.311 -1.000 1.00 0.00 C ATOM 959 C LEU A 62 -5.522 -5.549 -0.170 1.00 0.00 C ATOM 960 O LEU A 62 -4.571 -5.552 0.612 1.00 0.00 O ATOM 961 CB LEU A 62 -4.992 -4.296 -2.268 1.00 0.00 C ATOM 962 CG LEU A 62 -4.680 -2.916 -2.851 1.00 0.00 C ATOM 963 CD1 LEU A 62 -3.351 -2.936 -3.590 1.00 0.00 C ATOM 964 CD2 LEU A 62 -5.800 -2.462 -3.774 1.00 0.00 C ATOM 0 H LEU A 62 -4.714 -3.039 0.220 1.00 0.00 H new ATOM 0 HA LEU A 62 -6.900 -4.349 -1.279 1.00 0.00 H new ATOM 0 HB2 LEU A 62 -4.049 -4.799 -2.053 1.00 0.00 H new ATOM 0 HB3 LEU A 62 -5.500 -4.885 -3.032 1.00 0.00 H new ATOM 0 HG LEU A 62 -4.603 -2.204 -2.029 1.00 0.00 H new ATOM 0 HD11 LEU A 62 -3.146 -1.946 -3.998 1.00 0.00 H new ATOM 0 HD12 LEU A 62 -2.555 -3.216 -2.900 1.00 0.00 H new ATOM 0 HD13 LEU A 62 -3.398 -3.660 -4.403 1.00 0.00 H new ATOM 0 HD21 LEU A 62 -5.561 -1.479 -4.180 1.00 0.00 H new ATOM 0 HD22 LEU A 62 -5.909 -3.175 -4.591 1.00 0.00 H new ATOM 0 HD23 LEU A 62 -6.733 -2.406 -3.214 1.00 0.00 H new ATOM 976 N ASP A 63 -6.316 -6.599 -0.347 1.00 0.00 N ATOM 977 CA ASP A 63 -6.112 -7.844 0.384 1.00 0.00 C ATOM 978 C ASP A 63 -5.259 -8.816 -0.426 1.00 0.00 C ATOM 979 O ASP A 63 -5.355 -8.867 -1.651 1.00 0.00 O ATOM 980 CB ASP A 63 -7.456 -8.488 0.724 1.00 0.00 C ATOM 981 CG ASP A 63 -8.489 -8.285 -0.367 1.00 0.00 C ATOM 982 OD1 ASP A 63 -8.151 -8.504 -1.550 1.00 0.00 O ATOM 983 OD2 ASP A 63 -9.632 -7.906 -0.041 1.00 0.00 O ATOM 0 H ASP A 63 -7.107 -6.613 -0.991 1.00 0.00 H new ATOM 0 HA ASP A 63 -5.586 -7.610 1.310 1.00 0.00 H new ATOM 0 HB2 ASP A 63 -7.312 -9.556 0.890 1.00 0.00 H new ATOM 0 HB3 ASP A 63 -7.831 -8.068 1.658 1.00 0.00 H new ATOM 988 N GLU A 64 -4.424 -9.583 0.269 1.00 0.00 N ATOM 989 CA GLU A 64 -3.553 -10.552 -0.388 1.00 0.00 C ATOM 990 C GLU A 64 -3.732 -11.941 0.217 1.00 0.00 C ATOM 991 O GLU A 64 -3.458 -12.156 1.397 1.00 0.00 O ATOM 992 CB GLU A 64 -2.091 -10.116 -0.270 1.00 0.00 C ATOM 993 CG GLU A 64 -1.815 -8.743 -0.860 1.00 0.00 C ATOM 994 CD GLU A 64 -0.630 -8.056 -0.210 1.00 0.00 C ATOM 995 OE1 GLU A 64 0.486 -8.616 -0.268 1.00 0.00 O ATOM 996 OE2 GLU A 64 -0.816 -6.960 0.355 1.00 0.00 O ATOM 0 H GLU A 64 -4.332 -9.553 1.284 1.00 0.00 H new ATOM 0 HA GLU A 64 -3.828 -10.596 -1.442 1.00 0.00 H new ATOM 0 HB2 GLU A 64 -1.805 -10.114 0.782 1.00 0.00 H new ATOM 0 HB3 GLU A 64 -1.460 -10.851 -0.771 1.00 0.00 H new ATOM 0 HG2 GLU A 64 -1.631 -8.842 -1.930 1.00 0.00 H new ATOM 0 HG3 GLU A 64 -2.700 -8.118 -0.745 1.00 0.00 H new ATOM 1003 N ARG A 65 -4.193 -12.881 -0.602 1.00 0.00 N ATOM 1004 CA ARG A 65 -4.411 -14.249 -0.149 1.00 0.00 C ATOM 1005 C ARG A 65 -3.507 -15.222 -0.902 1.00 0.00 C ATOM 1006 O ARG A 65 -3.135 -14.976 -2.049 1.00 0.00 O ATOM 1007 CB ARG A 65 -5.876 -14.645 -0.339 1.00 0.00 C ATOM 1008 CG ARG A 65 -6.757 -14.319 0.855 1.00 0.00 C ATOM 1009 CD ARG A 65 -6.488 -15.262 2.019 1.00 0.00 C ATOM 1010 NE ARG A 65 -7.275 -16.489 1.922 1.00 0.00 N ATOM 1011 CZ ARG A 65 -8.602 -16.517 1.979 1.00 0.00 C ATOM 1012 NH1 ARG A 65 -9.286 -15.390 2.130 1.00 0.00 N ATOM 1013 NH2 ARG A 65 -9.247 -17.671 1.885 1.00 0.00 N ATOM 0 H ARG A 65 -4.423 -12.720 -1.583 1.00 0.00 H new ATOM 0 HA ARG A 65 -4.164 -14.297 0.912 1.00 0.00 H new ATOM 0 HB2 ARG A 65 -6.269 -14.136 -1.219 1.00 0.00 H new ATOM 0 HB3 ARG A 65 -5.931 -15.715 -0.538 1.00 0.00 H new ATOM 0 HG2 ARG A 65 -6.580 -13.291 1.170 1.00 0.00 H new ATOM 0 HG3 ARG A 65 -7.805 -14.387 0.565 1.00 0.00 H new ATOM 0 HD2 ARG A 65 -5.428 -15.513 2.045 1.00 0.00 H new ATOM 0 HD3 ARG A 65 -6.719 -14.756 2.956 1.00 0.00 H new ATOM 0 HE ARG A 65 -6.779 -17.372 1.804 1.00 0.00 H new ATOM 0 HH11 ARG A 65 -8.793 -14.500 2.203 1.00 0.00 H new ATOM 0 HH12 ARG A 65 -10.305 -15.414 2.174 1.00 0.00 H new ATOM 0 HH21 ARG A 65 -8.725 -18.539 1.769 1.00 0.00 H new ATOM 0 HH22 ARG A 65 -10.266 -17.691 1.929 1.00 0.00 H new ATOM 1027 N SER A 66 -3.158 -16.324 -0.247 1.00 0.00 N ATOM 1028 CA SER A 66 -2.294 -17.332 -0.853 1.00 0.00 C ATOM 1029 C SER A 66 -2.210 -18.574 0.028 1.00 0.00 C ATOM 1030 O SER A 66 -2.645 -18.566 1.180 1.00 0.00 O ATOM 1031 CB SER A 66 -0.894 -16.760 -1.084 1.00 0.00 C ATOM 1032 OG SER A 66 -0.186 -17.520 -2.047 1.00 0.00 O ATOM 0 H SER A 66 -3.459 -16.542 0.703 1.00 0.00 H new ATOM 0 HA SER A 66 -2.725 -17.617 -1.813 1.00 0.00 H new ATOM 0 HB2 SER A 66 -0.971 -15.725 -1.418 1.00 0.00 H new ATOM 0 HB3 SER A 66 -0.341 -16.752 -0.145 1.00 0.00 H new ATOM 0 HG SER A 66 0.705 -17.133 -2.178 1.00 0.00 H new ATOM 1038 N LYS A 67 -1.647 -19.645 -0.524 1.00 0.00 N ATOM 1039 CA LYS A 67 -1.504 -20.897 0.209 1.00 0.00 C ATOM 1040 C LYS A 67 -0.039 -21.168 0.540 1.00 0.00 C ATOM 1041 O LYS A 67 0.337 -21.244 1.709 1.00 0.00 O ATOM 1042 CB LYS A 67 -2.076 -22.058 -0.608 1.00 0.00 C ATOM 1043 CG LYS A 67 -2.151 -23.364 0.164 1.00 0.00 C ATOM 1044 CD LYS A 67 -0.864 -24.161 0.037 1.00 0.00 C ATOM 1045 CE LYS A 67 -0.804 -24.921 -1.279 1.00 0.00 C ATOM 1046 NZ LYS A 67 -1.698 -26.112 -1.273 1.00 0.00 N ATOM 0 H LYS A 67 -1.283 -19.670 -1.476 1.00 0.00 H new ATOM 0 HA LYS A 67 -2.060 -20.809 1.142 1.00 0.00 H new ATOM 0 HB2 LYS A 67 -3.075 -21.791 -0.953 1.00 0.00 H new ATOM 0 HB3 LYS A 67 -1.461 -22.205 -1.496 1.00 0.00 H new ATOM 0 HG2 LYS A 67 -2.349 -23.155 1.215 1.00 0.00 H new ATOM 0 HG3 LYS A 67 -2.986 -23.959 -0.205 1.00 0.00 H new ATOM 0 HD2 LYS A 67 -0.010 -23.488 0.108 1.00 0.00 H new ATOM 0 HD3 LYS A 67 -0.787 -24.863 0.867 1.00 0.00 H new ATOM 0 HE2 LYS A 67 -1.089 -24.257 -2.095 1.00 0.00 H new ATOM 0 HE3 LYS A 67 0.222 -25.238 -1.469 1.00 0.00 H new ATOM 0 HZ1 LYS A 67 -1.494 -26.704 -2.104 1.00 0.00 H new ATOM 0 HZ2 LYS A 67 -1.536 -26.664 -0.406 1.00 0.00 H new ATOM 0 HZ3 LYS A 67 -2.690 -25.802 -1.305 1.00 0.00 H new ATOM 1060 N GLU A 68 0.780 -21.312 -0.497 1.00 0.00 N ATOM 1061 CA GLU A 68 2.203 -21.573 -0.313 1.00 0.00 C ATOM 1062 C GLU A 68 2.760 -20.764 0.855 1.00 0.00 C ATOM 1063 O GLU A 68 2.677 -19.536 0.869 1.00 0.00 O ATOM 1064 CB GLU A 68 2.974 -21.240 -1.591 1.00 0.00 C ATOM 1065 CG GLU A 68 4.227 -22.079 -1.783 1.00 0.00 C ATOM 1066 CD GLU A 68 4.582 -22.269 -3.246 1.00 0.00 C ATOM 1067 OE1 GLU A 68 4.619 -21.261 -3.984 1.00 0.00 O ATOM 1068 OE2 GLU A 68 4.822 -23.426 -3.652 1.00 0.00 O ATOM 0 H GLU A 68 0.484 -21.253 -1.471 1.00 0.00 H new ATOM 0 HA GLU A 68 2.325 -22.633 -0.088 1.00 0.00 H new ATOM 0 HB2 GLU A 68 2.317 -21.382 -2.449 1.00 0.00 H new ATOM 0 HB3 GLU A 68 3.252 -20.186 -1.573 1.00 0.00 H new ATOM 0 HG2 GLU A 68 5.062 -21.602 -1.269 1.00 0.00 H new ATOM 0 HG3 GLU A 68 4.082 -23.054 -1.318 1.00 0.00 H new ATOM 1075 N TYR A 69 3.324 -21.463 1.833 1.00 0.00 N ATOM 1076 CA TYR A 69 3.892 -20.812 3.009 1.00 0.00 C ATOM 1077 C TYR A 69 5.287 -20.270 2.711 1.00 0.00 C ATOM 1078 O TYR A 69 6.144 -20.984 2.191 1.00 0.00 O ATOM 1079 CB TYR A 69 3.953 -21.791 4.182 1.00 0.00 C ATOM 1080 CG TYR A 69 2.604 -22.074 4.804 1.00 0.00 C ATOM 1081 CD1 TYR A 69 1.524 -22.465 4.022 1.00 0.00 C ATOM 1082 CD2 TYR A 69 2.410 -21.953 6.175 1.00 0.00 C ATOM 1083 CE1 TYR A 69 0.291 -22.725 4.587 1.00 0.00 C ATOM 1084 CE2 TYR A 69 1.180 -22.213 6.748 1.00 0.00 C ATOM 1085 CZ TYR A 69 0.123 -22.597 5.949 1.00 0.00 C ATOM 1086 OH TYR A 69 -1.103 -22.856 6.516 1.00 0.00 O ATOM 0 H TYR A 69 3.401 -22.480 1.836 1.00 0.00 H new ATOM 0 HA TYR A 69 3.246 -19.976 3.277 1.00 0.00 H new ATOM 0 HB2 TYR A 69 4.390 -22.729 3.839 1.00 0.00 H new ATOM 0 HB3 TYR A 69 4.619 -21.389 4.946 1.00 0.00 H new ATOM 0 HD1 TYR A 69 1.651 -22.567 2.954 1.00 0.00 H new ATOM 0 HD2 TYR A 69 3.235 -21.651 6.803 1.00 0.00 H new ATOM 0 HE1 TYR A 69 -0.538 -23.027 3.964 1.00 0.00 H new ATOM 0 HE2 TYR A 69 1.047 -22.116 7.815 1.00 0.00 H new ATOM 0 HH TYR A 69 -1.051 -22.720 7.485 1.00 0.00 H new ATOM 1096 N SER A 70 5.506 -19.001 3.044 1.00 0.00 N ATOM 1097 CA SER A 70 6.795 -18.362 2.810 1.00 0.00 C ATOM 1098 C SER A 70 7.775 -18.688 3.934 1.00 0.00 C ATOM 1099 O SER A 70 7.399 -19.272 4.950 1.00 0.00 O ATOM 1100 CB SER A 70 6.622 -16.846 2.693 1.00 0.00 C ATOM 1101 OG SER A 70 6.298 -16.271 3.947 1.00 0.00 O ATOM 0 H SER A 70 4.807 -18.396 3.476 1.00 0.00 H new ATOM 0 HA SER A 70 7.200 -18.748 1.875 1.00 0.00 H new ATOM 0 HB2 SER A 70 7.541 -16.400 2.312 1.00 0.00 H new ATOM 0 HB3 SER A 70 5.836 -16.621 1.972 1.00 0.00 H new ATOM 0 HG SER A 70 6.195 -15.302 3.846 1.00 0.00 H new ATOM 1107 N ILE A 71 9.032 -18.304 3.743 1.00 0.00 N ATOM 1108 CA ILE A 71 10.067 -18.554 4.739 1.00 0.00 C ATOM 1109 C ILE A 71 10.778 -17.263 5.130 1.00 0.00 C ATOM 1110 O ILE A 71 11.072 -16.422 4.280 1.00 0.00 O ATOM 1111 CB ILE A 71 11.109 -19.565 4.227 1.00 0.00 C ATOM 1112 CG1 ILE A 71 11.687 -19.101 2.888 1.00 0.00 C ATOM 1113 CG2 ILE A 71 10.485 -20.946 4.091 1.00 0.00 C ATOM 1114 CD1 ILE A 71 13.019 -19.736 2.552 1.00 0.00 C ATOM 0 H ILE A 71 9.359 -17.818 2.908 1.00 0.00 H new ATOM 0 HA ILE A 71 9.568 -18.970 5.614 1.00 0.00 H new ATOM 0 HB ILE A 71 11.922 -19.625 4.951 1.00 0.00 H new ATOM 0 HG12 ILE A 71 10.975 -19.329 2.095 1.00 0.00 H new ATOM 0 HG13 ILE A 71 11.805 -18.018 2.908 1.00 0.00 H new ATOM 0 HG21 ILE A 71 11.234 -21.650 3.728 1.00 0.00 H new ATOM 0 HG22 ILE A 71 10.117 -21.276 5.062 1.00 0.00 H new ATOM 0 HG23 ILE A 71 9.656 -20.903 3.385 1.00 0.00 H new ATOM 0 HD11 ILE A 71 13.368 -19.361 1.590 1.00 0.00 H new ATOM 0 HD12 ILE A 71 13.746 -19.486 3.325 1.00 0.00 H new ATOM 0 HD13 ILE A 71 12.903 -20.819 2.499 1.00 0.00 H new ATOM 1126 N ALA A 72 11.052 -17.112 6.421 1.00 0.00 N ATOM 1127 CA ALA A 72 11.731 -15.924 6.924 1.00 0.00 C ATOM 1128 C ALA A 72 12.142 -16.104 8.382 1.00 0.00 C ATOM 1129 O ALA A 72 11.443 -16.755 9.158 1.00 0.00 O ATOM 1130 CB ALA A 72 10.839 -14.701 6.773 1.00 0.00 C ATOM 0 H ALA A 72 10.814 -17.797 7.138 1.00 0.00 H new ATOM 0 HA ALA A 72 12.635 -15.775 6.333 1.00 0.00 H new ATOM 0 HB1 ALA A 72 11.360 -13.822 7.153 1.00 0.00 H new ATOM 0 HB2 ALA A 72 10.599 -14.554 5.720 1.00 0.00 H new ATOM 0 HB3 ALA A 72 9.919 -14.850 7.338 1.00 0.00 H new ATOM 1136 N SER A 73 13.280 -15.522 8.747 1.00 0.00 N ATOM 1137 CA SER A 73 13.786 -15.622 10.111 1.00 0.00 C ATOM 1138 C SER A 73 14.629 -14.401 10.468 1.00 0.00 C ATOM 1139 O SER A 73 15.173 -13.731 9.593 1.00 0.00 O ATOM 1140 CB SER A 73 14.617 -16.896 10.277 1.00 0.00 C ATOM 1141 OG SER A 73 14.741 -17.249 11.644 1.00 0.00 O ATOM 0 H SER A 73 13.869 -14.977 8.118 1.00 0.00 H new ATOM 0 HA SER A 73 12.932 -15.663 10.787 1.00 0.00 H new ATOM 0 HB2 SER A 73 14.149 -17.713 9.728 1.00 0.00 H new ATOM 0 HB3 SER A 73 15.607 -16.747 9.845 1.00 0.00 H new ATOM 0 HG SER A 73 15.275 -18.067 11.723 1.00 0.00 H new ATOM 1147 N GLY A 74 14.731 -14.119 11.764 1.00 0.00 N ATOM 1148 CA GLY A 74 15.507 -12.979 12.216 1.00 0.00 C ATOM 1149 C GLY A 74 15.625 -12.919 13.726 1.00 0.00 C ATOM 1150 O GLY A 74 14.874 -12.215 14.400 1.00 0.00 O ATOM 0 H GLY A 74 14.290 -14.660 12.508 1.00 0.00 H new ATOM 0 HA2 GLY A 74 16.504 -13.026 11.778 1.00 0.00 H new ATOM 0 HA3 GLY A 74 15.043 -12.061 11.854 1.00 0.00 H new ATOM 1154 N PRO A 75 16.585 -13.674 14.278 1.00 0.00 N ATOM 1155 CA PRO A 75 16.821 -13.722 15.725 1.00 0.00 C ATOM 1156 C PRO A 75 17.400 -12.418 16.261 1.00 0.00 C ATOM 1157 O PRO A 75 18.421 -11.934 15.775 1.00 0.00 O ATOM 1158 CB PRO A 75 17.831 -14.861 15.883 1.00 0.00 C ATOM 1159 CG PRO A 75 18.536 -14.927 14.571 1.00 0.00 C ATOM 1160 CD PRO A 75 17.518 -14.538 13.534 1.00 0.00 C ATOM 0 HA PRO A 75 15.897 -13.873 16.284 1.00 0.00 H new ATOM 0 HB2 PRO A 75 18.528 -14.662 16.697 1.00 0.00 H new ATOM 0 HB3 PRO A 75 17.333 -15.803 16.113 1.00 0.00 H new ATOM 0 HG2 PRO A 75 19.390 -14.250 14.552 1.00 0.00 H new ATOM 0 HG3 PRO A 75 18.920 -15.930 14.384 1.00 0.00 H new ATOM 0 HD2 PRO A 75 17.977 -14.008 12.699 1.00 0.00 H new ATOM 0 HD3 PRO A 75 17.013 -15.411 13.119 1.00 0.00 H new ATOM 1168 N SER A 76 16.741 -11.853 17.268 1.00 0.00 N ATOM 1169 CA SER A 76 17.190 -10.602 17.869 1.00 0.00 C ATOM 1170 C SER A 76 17.278 -10.729 19.388 1.00 0.00 C ATOM 1171 O SER A 76 16.879 -11.744 19.960 1.00 0.00 O ATOM 1172 CB SER A 76 16.239 -9.464 17.496 1.00 0.00 C ATOM 1173 OG SER A 76 16.543 -8.945 16.212 1.00 0.00 O ATOM 0 H SER A 76 15.895 -12.241 17.685 1.00 0.00 H new ATOM 0 HA SER A 76 18.184 -10.378 17.483 1.00 0.00 H new ATOM 0 HB2 SER A 76 15.211 -9.825 17.511 1.00 0.00 H new ATOM 0 HB3 SER A 76 16.309 -8.669 18.239 1.00 0.00 H new ATOM 0 HG SER A 76 15.920 -8.220 15.996 1.00 0.00 H new ATOM 1179 N SER A 77 17.802 -9.693 20.031 1.00 0.00 N ATOM 1180 CA SER A 77 17.947 -9.689 21.483 1.00 0.00 C ATOM 1181 C SER A 77 17.322 -8.436 22.088 1.00 0.00 C ATOM 1182 O SER A 77 17.920 -7.361 22.076 1.00 0.00 O ATOM 1183 CB SER A 77 19.424 -9.772 21.870 1.00 0.00 C ATOM 1184 OG SER A 77 19.591 -9.673 23.274 1.00 0.00 O ATOM 0 H SER A 77 18.134 -8.845 19.571 1.00 0.00 H new ATOM 0 HA SER A 77 17.426 -10.561 21.877 1.00 0.00 H new ATOM 0 HB2 SER A 77 19.843 -10.714 21.517 1.00 0.00 H new ATOM 0 HB3 SER A 77 19.977 -8.972 21.378 1.00 0.00 H new ATOM 0 HG SER A 77 20.544 -9.730 23.495 1.00 0.00 H new ATOM 1190 N GLY A 78 16.110 -8.581 22.617 1.00 0.00 N ATOM 1191 CA GLY A 78 15.424 -7.455 23.220 1.00 0.00 C ATOM 1192 C GLY A 78 15.496 -7.473 24.733 1.00 0.00 C ATOM 1193 O GLY A 78 14.511 -7.782 25.406 1.00 0.00 O ATOM 0 H GLY A 78 15.592 -9.459 22.638 1.00 0.00 H new ATOM 0 HA2 GLY A 78 15.861 -6.527 22.850 1.00 0.00 H new ATOM 0 HA3 GLY A 78 14.379 -7.462 22.909 1.00 0.00 H new TER 1197 GLY A 78