USER MOD reduce.3.24.130724 H: found=0, std=0, add=530, rem=0, adj=16 USER MOD reduce.3.24.130724 removed 527 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 36 HIS : no HD1:sc= -0.39 K(o=-0.65,f=0.5) USER MOD Set 1.2: A 47 THR OG1 : rot -20:sc= -0.141 USER MOD Set 1.3: A 54 GLN : amide:sc= -0.119 K(o=-0.65,f=0.5) USER MOD Single : A 1 GLY N :NH3+ -114:sc= 0.0791 (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 16 TYR OH : rot 180:sc= 0 USER MOD Single : A 17 THR OG1 : rot 180:sc= 0 USER MOD Single : A 18 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 22 THR OG1 : rot -66:sc= 1.07 USER MOD Single : A 26 SER OG : rot 180:sc= 0 USER MOD Single : A 29 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 32 MET CE :methyl -179:sc= 0 (180deg=-0.000672) USER MOD Single : A 37 ASN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 44 MET CE :methyl -167:sc= 0 (180deg=-0.236) USER MOD Single : A 48 ASN : amide:sc= -1.54 K(o=-1.5,f=-6.4!) USER MOD Single : A 51 THR OG1 : rot 180:sc= -0.357 USER MOD Single : A 66 SER OG : rot 180:sc= 0 USER MOD Single : A 69 SER OG : rot 13:sc= 0.892 USER MOD Single : A 70 SER OG : rot 180:sc= 0 USER MOD ----------------------------------------------------------------- ATOM 1 N GLY A 1 -22.053 19.695 -0.052 1.00 0.00 N ATOM 2 CA GLY A 1 -21.098 18.680 0.353 1.00 0.00 C ATOM 3 C GLY A 1 -21.226 17.407 -0.460 1.00 0.00 C ATOM 4 O GLY A 1 -22.048 17.325 -1.372 1.00 0.00 O ATOM 0 H1 GLY A 1 -21.546 20.504 -0.464 1.00 0.00 H new ATOM 0 H2 GLY A 1 -22.703 19.297 -0.759 1.00 0.00 H new ATOM 0 H3 GLY A 1 -22.595 20.012 0.777 1.00 0.00 H new ATOM 0 HA2 GLY A 1 -20.087 19.074 0.249 1.00 0.00 H new ATOM 0 HA3 GLY A 1 -21.243 18.450 1.408 1.00 0.00 H new ATOM 8 N SER A 2 -20.410 16.411 -0.129 1.00 0.00 N ATOM 9 CA SER A 2 -20.432 15.138 -0.839 1.00 0.00 C ATOM 10 C SER A 2 -20.198 15.344 -2.332 1.00 0.00 C ATOM 11 O SER A 2 -20.849 14.714 -3.166 1.00 0.00 O ATOM 12 CB SER A 2 -21.767 14.427 -0.613 1.00 0.00 C ATOM 13 OG SER A 2 -21.767 13.718 0.614 1.00 0.00 O ATOM 0 H SER A 2 -19.726 16.461 0.626 1.00 0.00 H new ATOM 0 HA SER A 2 -19.627 14.517 -0.446 1.00 0.00 H new ATOM 0 HB2 SER A 2 -22.576 15.157 -0.614 1.00 0.00 H new ATOM 0 HB3 SER A 2 -21.959 13.737 -1.435 1.00 0.00 H new ATOM 0 HG SER A 2 -22.632 13.274 0.735 1.00 0.00 H new ATOM 19 N SER A 3 -19.265 16.230 -2.662 1.00 0.00 N ATOM 20 CA SER A 3 -18.947 16.523 -4.055 1.00 0.00 C ATOM 21 C SER A 3 -17.477 16.240 -4.348 1.00 0.00 C ATOM 22 O SER A 3 -16.594 16.625 -3.583 1.00 0.00 O ATOM 23 CB SER A 3 -19.270 17.983 -4.378 1.00 0.00 C ATOM 24 OG SER A 3 -18.298 18.855 -3.828 1.00 0.00 O ATOM 0 H SER A 3 -18.715 16.758 -1.984 1.00 0.00 H new ATOM 0 HA SER A 3 -19.557 15.875 -4.685 1.00 0.00 H new ATOM 0 HB2 SER A 3 -19.314 18.118 -5.459 1.00 0.00 H new ATOM 0 HB3 SER A 3 -20.254 18.236 -3.985 1.00 0.00 H new ATOM 0 HG SER A 3 -18.527 19.782 -4.050 1.00 0.00 H new ATOM 30 N GLY A 4 -17.222 15.562 -5.463 1.00 0.00 N ATOM 31 CA GLY A 4 -15.858 15.237 -5.839 1.00 0.00 C ATOM 32 C GLY A 4 -15.288 14.095 -5.021 1.00 0.00 C ATOM 33 O GLY A 4 -15.641 13.921 -3.855 1.00 0.00 O ATOM 0 H GLY A 4 -17.936 15.232 -6.113 1.00 0.00 H new ATOM 0 HA2 GLY A 4 -15.829 14.973 -6.896 1.00 0.00 H new ATOM 0 HA3 GLY A 4 -15.230 16.119 -5.713 1.00 0.00 H new ATOM 37 N SER A 5 -14.404 13.314 -5.634 1.00 0.00 N ATOM 38 CA SER A 5 -13.788 12.179 -4.957 1.00 0.00 C ATOM 39 C SER A 5 -12.322 12.464 -4.645 1.00 0.00 C ATOM 40 O SER A 5 -11.517 12.696 -5.547 1.00 0.00 O ATOM 41 CB SER A 5 -13.903 10.920 -5.818 1.00 0.00 C ATOM 42 OG SER A 5 -13.310 9.806 -5.174 1.00 0.00 O ATOM 0 H SER A 5 -14.098 13.447 -6.598 1.00 0.00 H new ATOM 0 HA SER A 5 -14.317 12.017 -4.018 1.00 0.00 H new ATOM 0 HB2 SER A 5 -14.953 10.710 -6.022 1.00 0.00 H new ATOM 0 HB3 SER A 5 -13.419 11.088 -6.780 1.00 0.00 H new ATOM 0 HG SER A 5 -13.398 9.014 -5.744 1.00 0.00 H new ATOM 48 N SER A 6 -11.982 12.444 -3.360 1.00 0.00 N ATOM 49 CA SER A 6 -10.614 12.704 -2.927 1.00 0.00 C ATOM 50 C SER A 6 -10.071 11.534 -2.112 1.00 0.00 C ATOM 51 O SER A 6 -10.307 11.438 -0.909 1.00 0.00 O ATOM 52 CB SER A 6 -10.554 13.988 -2.098 1.00 0.00 C ATOM 53 OG SER A 6 -10.558 15.134 -2.932 1.00 0.00 O ATOM 0 H SER A 6 -12.635 12.250 -2.601 1.00 0.00 H new ATOM 0 HA SER A 6 -9.995 12.825 -3.816 1.00 0.00 H new ATOM 0 HB2 SER A 6 -11.405 14.026 -1.418 1.00 0.00 H new ATOM 0 HB3 SER A 6 -9.655 13.985 -1.482 1.00 0.00 H new ATOM 0 HG SER A 6 -10.521 15.942 -2.378 1.00 0.00 H new ATOM 59 N GLY A 7 -9.341 10.645 -2.779 1.00 0.00 N ATOM 60 CA GLY A 7 -8.775 9.492 -2.102 1.00 0.00 C ATOM 61 C GLY A 7 -7.268 9.415 -2.249 1.00 0.00 C ATOM 62 O GLY A 7 -6.760 8.977 -3.281 1.00 0.00 O ATOM 0 H GLY A 7 -9.131 10.702 -3.776 1.00 0.00 H new ATOM 0 HA2 GLY A 7 -9.032 9.534 -1.044 1.00 0.00 H new ATOM 0 HA3 GLY A 7 -9.223 8.583 -2.503 1.00 0.00 H new ATOM 66 N ARG A 8 -6.552 9.845 -1.215 1.00 0.00 N ATOM 67 CA ARG A 8 -5.094 9.825 -1.235 1.00 0.00 C ATOM 68 C ARG A 8 -4.577 8.580 -1.949 1.00 0.00 C ATOM 69 O ARG A 8 -4.880 7.454 -1.554 1.00 0.00 O ATOM 70 CB ARG A 8 -4.543 9.873 0.192 1.00 0.00 C ATOM 71 CG ARG A 8 -3.032 10.028 0.256 1.00 0.00 C ATOM 72 CD ARG A 8 -2.558 10.275 1.679 1.00 0.00 C ATOM 73 NE ARG A 8 -1.106 10.421 1.755 1.00 0.00 N ATOM 74 CZ ARG A 8 -0.418 10.343 2.888 1.00 0.00 C ATOM 75 NH1 ARG A 8 -1.045 10.120 4.034 1.00 0.00 N ATOM 76 NH2 ARG A 8 0.901 10.487 2.875 1.00 0.00 N ATOM 0 H ARG A 8 -6.957 10.211 -0.354 1.00 0.00 H new ATOM 0 HA ARG A 8 -4.751 10.704 -1.780 1.00 0.00 H new ATOM 0 HB2 ARG A 8 -5.008 10.703 0.724 1.00 0.00 H new ATOM 0 HB3 ARG A 8 -4.829 8.960 0.714 1.00 0.00 H new ATOM 0 HG2 ARG A 8 -2.556 9.129 -0.137 1.00 0.00 H new ATOM 0 HG3 ARG A 8 -2.723 10.857 -0.381 1.00 0.00 H new ATOM 0 HD2 ARG A 8 -3.034 11.175 2.068 1.00 0.00 H new ATOM 0 HD3 ARG A 8 -2.873 9.448 2.315 1.00 0.00 H new ATOM 0 HE ARG A 8 -0.593 10.592 0.890 1.00 0.00 H new ATOM 0 HH11 ARG A 8 -2.059 10.008 4.047 1.00 0.00 H new ATOM 0 HH12 ARG A 8 -0.514 10.061 4.903 1.00 0.00 H new ATOM 0 HH21 ARG A 8 1.387 10.658 1.994 1.00 0.00 H new ATOM 0 HH22 ARG A 8 1.429 10.427 3.746 1.00 0.00 H new ATOM 90 N ARG A 9 -3.796 8.792 -3.004 1.00 0.00 N ATOM 91 CA ARG A 9 -3.238 7.687 -3.775 1.00 0.00 C ATOM 92 C ARG A 9 -1.800 7.400 -3.351 1.00 0.00 C ATOM 93 O ARG A 9 -1.065 8.306 -2.959 1.00 0.00 O ATOM 94 CB ARG A 9 -3.286 8.005 -5.270 1.00 0.00 C ATOM 95 CG ARG A 9 -2.643 6.939 -6.141 1.00 0.00 C ATOM 96 CD ARG A 9 -3.280 6.887 -7.521 1.00 0.00 C ATOM 97 NE ARG A 9 -2.778 7.944 -8.395 1.00 0.00 N ATOM 98 CZ ARG A 9 -3.304 8.230 -9.581 1.00 0.00 C ATOM 99 NH1 ARG A 9 -4.344 7.541 -10.031 1.00 0.00 N ATOM 100 NH2 ARG A 9 -2.792 9.206 -10.318 1.00 0.00 N ATOM 0 H ARG A 9 -3.536 9.718 -3.344 1.00 0.00 H new ATOM 0 HA ARG A 9 -3.840 6.800 -3.580 1.00 0.00 H new ATOM 0 HB2 ARG A 9 -4.326 8.131 -5.573 1.00 0.00 H new ATOM 0 HB3 ARG A 9 -2.785 8.957 -5.446 1.00 0.00 H new ATOM 0 HG2 ARG A 9 -1.577 7.142 -6.239 1.00 0.00 H new ATOM 0 HG3 ARG A 9 -2.739 5.967 -5.658 1.00 0.00 H new ATOM 0 HD2 ARG A 9 -3.082 5.916 -7.975 1.00 0.00 H new ATOM 0 HD3 ARG A 9 -4.362 6.979 -7.425 1.00 0.00 H new ATOM 0 HE ARG A 9 -1.979 8.493 -8.077 1.00 0.00 H new ATOM 0 HH11 ARG A 9 -4.741 6.790 -9.466 1.00 0.00 H new ATOM 0 HH12 ARG A 9 -4.747 7.762 -10.942 1.00 0.00 H new ATOM 0 HH21 ARG A 9 -1.993 9.739 -9.975 1.00 0.00 H new ATOM 0 HH22 ARG A 9 -3.197 9.424 -11.228 1.00 0.00 H new ATOM 114 N VAL A 10 -1.407 6.133 -3.432 1.00 0.00 N ATOM 115 CA VAL A 10 -0.058 5.726 -3.058 1.00 0.00 C ATOM 116 C VAL A 10 0.462 4.630 -3.982 1.00 0.00 C ATOM 117 O VAL A 10 -0.285 4.081 -4.792 1.00 0.00 O ATOM 118 CB VAL A 10 -0.007 5.223 -1.603 1.00 0.00 C ATOM 119 CG1 VAL A 10 -0.024 6.393 -0.632 1.00 0.00 C ATOM 120 CG2 VAL A 10 -1.163 4.273 -1.327 1.00 0.00 C ATOM 0 H VAL A 10 -2.004 5.371 -3.753 1.00 0.00 H new ATOM 0 HA VAL A 10 0.576 6.607 -3.152 1.00 0.00 H new ATOM 0 HB VAL A 10 0.925 4.676 -1.459 1.00 0.00 H new ATOM 0 HG11 VAL A 10 0.013 6.018 0.391 1.00 0.00 H new ATOM 0 HG12 VAL A 10 0.841 7.031 -0.816 1.00 0.00 H new ATOM 0 HG13 VAL A 10 -0.937 6.970 -0.774 1.00 0.00 H new ATOM 0 HG21 VAL A 10 -1.111 3.927 -0.295 1.00 0.00 H new ATOM 0 HG22 VAL A 10 -2.107 4.792 -1.489 1.00 0.00 H new ATOM 0 HG23 VAL A 10 -1.099 3.418 -2.000 1.00 0.00 H new ATOM 130 N ARG A 11 1.747 4.316 -3.854 1.00 0.00 N ATOM 131 CA ARG A 11 2.367 3.286 -4.678 1.00 0.00 C ATOM 132 C ARG A 11 3.394 2.493 -3.875 1.00 0.00 C ATOM 133 O ARG A 11 4.180 3.062 -3.119 1.00 0.00 O ATOM 134 CB ARG A 11 3.036 3.915 -5.901 1.00 0.00 C ATOM 135 CG ARG A 11 3.886 2.940 -6.700 1.00 0.00 C ATOM 136 CD ARG A 11 4.964 3.661 -7.493 1.00 0.00 C ATOM 137 NE ARG A 11 4.467 4.893 -8.099 1.00 0.00 N ATOM 138 CZ ARG A 11 3.670 4.920 -9.162 1.00 0.00 C ATOM 139 NH1 ARG A 11 3.283 3.788 -9.732 1.00 0.00 N ATOM 140 NH2 ARG A 11 3.259 6.081 -9.656 1.00 0.00 N ATOM 0 H ARG A 11 2.379 4.760 -3.188 1.00 0.00 H new ATOM 0 HA ARG A 11 1.585 2.603 -5.011 1.00 0.00 H new ATOM 0 HB2 ARG A 11 2.267 4.331 -6.552 1.00 0.00 H new ATOM 0 HB3 ARG A 11 3.661 4.746 -5.575 1.00 0.00 H new ATOM 0 HG2 ARG A 11 4.349 2.221 -6.024 1.00 0.00 H new ATOM 0 HG3 ARG A 11 3.250 2.374 -7.380 1.00 0.00 H new ATOM 0 HD2 ARG A 11 5.803 3.893 -6.837 1.00 0.00 H new ATOM 0 HD3 ARG A 11 5.343 3.001 -8.273 1.00 0.00 H new ATOM 0 HE ARG A 11 4.747 5.782 -7.684 1.00 0.00 H new ATOM 0 HH11 ARG A 11 3.597 2.894 -9.355 1.00 0.00 H new ATOM 0 HH12 ARG A 11 2.671 3.811 -10.548 1.00 0.00 H new ATOM 0 HH21 ARG A 11 3.555 6.954 -9.220 1.00 0.00 H new ATOM 0 HH22 ARG A 11 2.647 6.100 -10.472 1.00 0.00 H new ATOM 154 N ALA A 12 3.380 1.174 -4.045 1.00 0.00 N ATOM 155 CA ALA A 12 4.311 0.303 -3.337 1.00 0.00 C ATOM 156 C ALA A 12 5.698 0.355 -3.967 1.00 0.00 C ATOM 157 O ALA A 12 5.890 -0.075 -5.105 1.00 0.00 O ATOM 158 CB ALA A 12 3.788 -1.126 -3.323 1.00 0.00 C ATOM 0 H ALA A 12 2.735 0.686 -4.666 1.00 0.00 H new ATOM 0 HA ALA A 12 4.394 0.658 -2.310 1.00 0.00 H new ATOM 0 HB1 ALA A 12 4.492 -1.766 -2.792 1.00 0.00 H new ATOM 0 HB2 ALA A 12 2.821 -1.155 -2.821 1.00 0.00 H new ATOM 0 HB3 ALA A 12 3.675 -1.482 -4.347 1.00 0.00 H new ATOM 164 N ILE A 13 6.662 0.884 -3.222 1.00 0.00 N ATOM 165 CA ILE A 13 8.032 0.992 -3.708 1.00 0.00 C ATOM 166 C ILE A 13 8.756 -0.347 -3.611 1.00 0.00 C ATOM 167 O ILE A 13 9.795 -0.550 -4.241 1.00 0.00 O ATOM 168 CB ILE A 13 8.827 2.051 -2.922 1.00 0.00 C ATOM 169 CG1 ILE A 13 8.782 1.746 -1.423 1.00 0.00 C ATOM 170 CG2 ILE A 13 8.277 3.441 -3.202 1.00 0.00 C ATOM 171 CD1 ILE A 13 9.631 2.680 -0.591 1.00 0.00 C ATOM 0 H ILE A 13 6.520 1.245 -2.279 1.00 0.00 H new ATOM 0 HA ILE A 13 7.973 1.296 -4.753 1.00 0.00 H new ATOM 0 HB ILE A 13 9.866 2.020 -3.248 1.00 0.00 H new ATOM 0 HG12 ILE A 13 7.749 1.804 -1.080 1.00 0.00 H new ATOM 0 HG13 ILE A 13 9.116 0.721 -1.259 1.00 0.00 H new ATOM 0 HG21 ILE A 13 8.849 4.179 -2.639 1.00 0.00 H new ATOM 0 HG22 ILE A 13 8.356 3.656 -4.268 1.00 0.00 H new ATOM 0 HG23 ILE A 13 7.231 3.486 -2.900 1.00 0.00 H new ATOM 0 HD11 ILE A 13 9.551 2.405 0.461 1.00 0.00 H new ATOM 0 HD12 ILE A 13 10.671 2.605 -0.907 1.00 0.00 H new ATOM 0 HD13 ILE A 13 9.284 3.704 -0.725 1.00 0.00 H new ATOM 183 N LEU A 14 8.200 -1.258 -2.820 1.00 0.00 N ATOM 184 CA LEU A 14 8.792 -2.579 -2.641 1.00 0.00 C ATOM 185 C LEU A 14 7.711 -3.640 -2.460 1.00 0.00 C ATOM 186 O LEU A 14 6.630 -3.376 -1.932 1.00 0.00 O ATOM 187 CB LEU A 14 9.731 -2.581 -1.434 1.00 0.00 C ATOM 188 CG LEU A 14 10.954 -1.668 -1.534 1.00 0.00 C ATOM 189 CD1 LEU A 14 11.466 -1.307 -0.148 1.00 0.00 C ATOM 190 CD2 LEU A 14 12.051 -2.333 -2.353 1.00 0.00 C ATOM 0 H LEU A 14 7.340 -1.106 -2.293 1.00 0.00 H new ATOM 0 HA LEU A 14 9.364 -2.818 -3.538 1.00 0.00 H new ATOM 0 HB2 LEU A 14 9.158 -2.293 -0.553 1.00 0.00 H new ATOM 0 HB3 LEU A 14 10.077 -3.602 -1.269 1.00 0.00 H new ATOM 0 HG LEU A 14 10.657 -0.749 -2.040 1.00 0.00 H new ATOM 0 HD11 LEU A 14 12.336 -0.657 -0.239 1.00 0.00 H new ATOM 0 HD12 LEU A 14 10.683 -0.789 0.406 1.00 0.00 H new ATOM 0 HD13 LEU A 14 11.746 -2.216 0.384 1.00 0.00 H new ATOM 0 HD21 LEU A 14 12.913 -1.669 -2.413 1.00 0.00 H new ATOM 0 HD22 LEU A 14 12.346 -3.268 -1.876 1.00 0.00 H new ATOM 0 HD23 LEU A 14 11.681 -2.539 -3.357 1.00 0.00 H new ATOM 202 N PRO A 15 8.007 -4.870 -2.905 1.00 0.00 N ATOM 203 CA PRO A 15 7.075 -5.996 -2.800 1.00 0.00 C ATOM 204 C PRO A 15 6.882 -6.457 -1.359 1.00 0.00 C ATOM 205 O PRO A 15 7.826 -6.466 -0.569 1.00 0.00 O ATOM 206 CB PRO A 15 7.749 -7.093 -3.627 1.00 0.00 C ATOM 207 CG PRO A 15 9.200 -6.757 -3.591 1.00 0.00 C ATOM 208 CD PRO A 15 9.276 -5.256 -3.544 1.00 0.00 C ATOM 0 HA PRO A 15 6.077 -5.732 -3.150 1.00 0.00 H new ATOM 0 HB2 PRO A 15 7.561 -8.080 -3.204 1.00 0.00 H new ATOM 0 HB3 PRO A 15 7.371 -7.107 -4.649 1.00 0.00 H new ATOM 0 HG2 PRO A 15 9.682 -7.200 -2.719 1.00 0.00 H new ATOM 0 HG3 PRO A 15 9.713 -7.146 -4.470 1.00 0.00 H new ATOM 0 HD2 PRO A 15 10.136 -4.915 -2.968 1.00 0.00 H new ATOM 0 HD3 PRO A 15 9.370 -4.827 -4.542 1.00 0.00 H new ATOM 216 N TYR A 16 5.655 -6.839 -1.024 1.00 0.00 N ATOM 217 CA TYR A 16 5.339 -7.300 0.322 1.00 0.00 C ATOM 218 C TYR A 16 4.385 -8.490 0.281 1.00 0.00 C ATOM 219 O TYR A 16 3.682 -8.705 -0.707 1.00 0.00 O ATOM 220 CB TYR A 16 4.721 -6.165 1.141 1.00 0.00 C ATOM 221 CG TYR A 16 4.388 -6.555 2.563 1.00 0.00 C ATOM 222 CD1 TYR A 16 5.391 -6.744 3.506 1.00 0.00 C ATOM 223 CD2 TYR A 16 3.070 -6.737 2.964 1.00 0.00 C ATOM 224 CE1 TYR A 16 5.091 -7.101 4.806 1.00 0.00 C ATOM 225 CE2 TYR A 16 2.761 -7.093 4.262 1.00 0.00 C ATOM 226 CZ TYR A 16 3.775 -7.274 5.179 1.00 0.00 C ATOM 227 OH TYR A 16 3.471 -7.630 6.473 1.00 0.00 O ATOM 0 H TYR A 16 4.863 -6.838 -1.666 1.00 0.00 H new ATOM 0 HA TYR A 16 6.267 -7.618 0.796 1.00 0.00 H new ATOM 0 HB2 TYR A 16 5.412 -5.322 1.157 1.00 0.00 H new ATOM 0 HB3 TYR A 16 3.813 -5.823 0.645 1.00 0.00 H new ATOM 0 HD1 TYR A 16 6.423 -6.609 3.217 1.00 0.00 H new ATOM 0 HD2 TYR A 16 2.273 -6.598 2.248 1.00 0.00 H new ATOM 0 HE1 TYR A 16 5.883 -7.244 5.526 1.00 0.00 H new ATOM 0 HE2 TYR A 16 1.731 -7.229 4.557 1.00 0.00 H new ATOM 0 HH TYR A 16 2.499 -7.710 6.571 1.00 0.00 H new ATOM 237 N THR A 17 4.364 -9.261 1.364 1.00 0.00 N ATOM 238 CA THR A 17 3.498 -10.430 1.453 1.00 0.00 C ATOM 239 C THR A 17 2.492 -10.283 2.589 1.00 0.00 C ATOM 240 O THR A 17 2.870 -10.107 3.748 1.00 0.00 O ATOM 241 CB THR A 17 4.313 -11.719 1.668 1.00 0.00 C ATOM 242 OG1 THR A 17 5.293 -11.857 0.633 1.00 0.00 O ATOM 243 CG2 THR A 17 3.404 -12.939 1.678 1.00 0.00 C ATOM 0 H THR A 17 4.937 -9.097 2.192 1.00 0.00 H new ATOM 0 HA THR A 17 2.965 -10.501 0.505 1.00 0.00 H new ATOM 0 HB THR A 17 4.812 -11.650 2.634 1.00 0.00 H new ATOM 0 HG1 THR A 17 5.808 -12.678 0.778 1.00 0.00 H new ATOM 0 HG21 THR A 17 4.002 -13.837 1.831 1.00 0.00 H new ATOM 0 HG22 THR A 17 2.677 -12.845 2.485 1.00 0.00 H new ATOM 0 HG23 THR A 17 2.880 -13.010 0.725 1.00 0.00 H new ATOM 251 N LYS A 18 1.209 -10.357 2.251 1.00 0.00 N ATOM 252 CA LYS A 18 0.148 -10.235 3.243 1.00 0.00 C ATOM 253 C LYS A 18 0.186 -11.399 4.227 1.00 0.00 C ATOM 254 O LYS A 18 0.671 -12.483 3.904 1.00 0.00 O ATOM 255 CB LYS A 18 -1.218 -10.179 2.554 1.00 0.00 C ATOM 256 CG LYS A 18 -1.714 -11.534 2.077 1.00 0.00 C ATOM 257 CD LYS A 18 -3.213 -11.523 1.830 1.00 0.00 C ATOM 258 CE LYS A 18 -3.828 -12.893 2.075 1.00 0.00 C ATOM 259 NZ LYS A 18 -3.717 -13.773 0.879 1.00 0.00 N ATOM 0 H LYS A 18 0.879 -10.501 1.297 1.00 0.00 H new ATOM 0 HA LYS A 18 0.307 -9.310 3.797 1.00 0.00 H new ATOM 0 HB2 LYS A 18 -1.947 -9.757 3.245 1.00 0.00 H new ATOM 0 HB3 LYS A 18 -1.158 -9.502 1.701 1.00 0.00 H new ATOM 0 HG2 LYS A 18 -1.195 -11.810 1.159 1.00 0.00 H new ATOM 0 HG3 LYS A 18 -1.472 -12.293 2.821 1.00 0.00 H new ATOM 0 HD2 LYS A 18 -3.685 -10.789 2.483 1.00 0.00 H new ATOM 0 HD3 LYS A 18 -3.412 -11.212 0.804 1.00 0.00 H new ATOM 0 HE2 LYS A 18 -3.332 -13.367 2.922 1.00 0.00 H new ATOM 0 HE3 LYS A 18 -4.878 -12.777 2.344 1.00 0.00 H new ATOM 0 HZ1 LYS A 18 -4.147 -14.697 1.086 1.00 0.00 H new ATOM 0 HZ2 LYS A 18 -4.212 -13.333 0.077 1.00 0.00 H new ATOM 0 HZ3 LYS A 18 -2.714 -13.905 0.637 1.00 0.00 H new ATOM 273 N VAL A 19 -0.330 -11.168 5.431 1.00 0.00 N ATOM 274 CA VAL A 19 -0.358 -12.199 6.461 1.00 0.00 C ATOM 275 C VAL A 19 -1.664 -12.984 6.419 1.00 0.00 C ATOM 276 O VAL A 19 -2.746 -12.427 6.237 1.00 0.00 O ATOM 277 CB VAL A 19 -0.181 -11.593 7.866 1.00 0.00 C ATOM 278 CG1 VAL A 19 -0.296 -12.672 8.932 1.00 0.00 C ATOM 279 CG2 VAL A 19 1.154 -10.870 7.970 1.00 0.00 C ATOM 0 H VAL A 19 -0.734 -10.276 5.716 1.00 0.00 H new ATOM 0 HA VAL A 19 0.474 -12.873 6.256 1.00 0.00 H new ATOM 0 HB VAL A 19 -0.976 -10.866 8.032 1.00 0.00 H new ATOM 0 HG11 VAL A 19 -0.168 -12.225 9.918 1.00 0.00 H new ATOM 0 HG12 VAL A 19 -1.278 -13.141 8.871 1.00 0.00 H new ATOM 0 HG13 VAL A 19 0.476 -13.425 8.772 1.00 0.00 H new ATOM 0 HG21 VAL A 19 1.262 -10.448 8.969 1.00 0.00 H new ATOM 0 HG22 VAL A 19 1.965 -11.574 7.784 1.00 0.00 H new ATOM 0 HG23 VAL A 19 1.192 -10.069 7.232 1.00 0.00 H new ATOM 289 N PRO A 20 -1.563 -14.310 6.592 1.00 0.00 N ATOM 290 CA PRO A 20 -2.727 -15.201 6.579 1.00 0.00 C ATOM 291 C PRO A 20 -3.617 -15.011 7.803 1.00 0.00 C ATOM 292 O PRO A 20 -3.198 -14.422 8.800 1.00 0.00 O ATOM 293 CB PRO A 20 -2.104 -16.599 6.583 1.00 0.00 C ATOM 294 CG PRO A 20 -0.767 -16.416 7.214 1.00 0.00 C ATOM 295 CD PRO A 20 -0.305 -15.042 6.814 1.00 0.00 C ATOM 0 HA PRO A 20 -3.376 -15.011 5.724 1.00 0.00 H new ATOM 0 HB2 PRO A 20 -2.715 -17.303 7.148 1.00 0.00 H new ATOM 0 HB3 PRO A 20 -2.014 -16.995 5.572 1.00 0.00 H new ATOM 0 HG2 PRO A 20 -0.832 -16.506 8.298 1.00 0.00 H new ATOM 0 HG3 PRO A 20 -0.067 -17.178 6.872 1.00 0.00 H new ATOM 0 HD2 PRO A 20 0.298 -14.578 7.595 1.00 0.00 H new ATOM 0 HD3 PRO A 20 0.308 -15.071 5.913 1.00 0.00 H new ATOM 303 N ASP A 21 -4.844 -15.512 7.720 1.00 0.00 N ATOM 304 CA ASP A 21 -5.792 -15.398 8.822 1.00 0.00 C ATOM 305 C ASP A 21 -6.118 -13.935 9.110 1.00 0.00 C ATOM 306 O ASP A 21 -6.478 -13.577 10.232 1.00 0.00 O ATOM 307 CB ASP A 21 -5.230 -16.065 10.078 1.00 0.00 C ATOM 308 CG ASP A 21 -5.591 -17.535 10.164 1.00 0.00 C ATOM 309 OD1 ASP A 21 -6.786 -17.862 10.008 1.00 0.00 O ATOM 310 OD2 ASP A 21 -4.679 -18.358 10.388 1.00 0.00 O ATOM 0 H ASP A 21 -5.206 -16.001 6.901 1.00 0.00 H new ATOM 0 HA ASP A 21 -6.712 -15.906 8.531 1.00 0.00 H new ATOM 0 HB2 ASP A 21 -4.145 -15.959 10.088 1.00 0.00 H new ATOM 0 HB3 ASP A 21 -5.608 -15.549 10.960 1.00 0.00 H new ATOM 315 N THR A 22 -5.987 -13.093 8.090 1.00 0.00 N ATOM 316 CA THR A 22 -6.265 -11.670 8.233 1.00 0.00 C ATOM 317 C THR A 22 -6.851 -11.092 6.950 1.00 0.00 C ATOM 318 O THR A 22 -6.978 -11.791 5.945 1.00 0.00 O ATOM 319 CB THR A 22 -4.993 -10.884 8.603 1.00 0.00 C ATOM 320 OG1 THR A 22 -4.114 -10.814 7.475 1.00 0.00 O ATOM 321 CG2 THR A 22 -4.274 -11.538 9.773 1.00 0.00 C ATOM 0 H THR A 22 -5.690 -13.373 7.155 1.00 0.00 H new ATOM 0 HA THR A 22 -6.993 -11.570 9.038 1.00 0.00 H new ATOM 0 HB THR A 22 -5.288 -9.876 8.896 1.00 0.00 H new ATOM 0 HG1 THR A 22 -3.789 -11.712 7.258 1.00 0.00 H new ATOM 0 HG21 THR A 22 -3.379 -10.965 10.016 1.00 0.00 H new ATOM 0 HG22 THR A 22 -4.936 -11.562 10.639 1.00 0.00 H new ATOM 0 HG23 THR A 22 -3.991 -12.556 9.504 1.00 0.00 H new ATOM 329 N ASP A 23 -7.204 -9.812 6.991 1.00 0.00 N ATOM 330 CA ASP A 23 -7.775 -9.139 5.830 1.00 0.00 C ATOM 331 C ASP A 23 -6.716 -8.313 5.105 1.00 0.00 C ATOM 332 O ASP A 23 -7.033 -7.329 4.438 1.00 0.00 O ATOM 333 CB ASP A 23 -8.937 -8.240 6.255 1.00 0.00 C ATOM 334 CG ASP A 23 -10.226 -9.014 6.451 1.00 0.00 C ATOM 335 OD1 ASP A 23 -10.257 -9.899 7.332 1.00 0.00 O ATOM 336 OD2 ASP A 23 -11.203 -8.736 5.724 1.00 0.00 O ATOM 0 H ASP A 23 -7.105 -9.220 7.815 1.00 0.00 H new ATOM 0 HA ASP A 23 -8.147 -9.902 5.146 1.00 0.00 H new ATOM 0 HB2 ASP A 23 -8.678 -7.731 7.183 1.00 0.00 H new ATOM 0 HB3 ASP A 23 -9.091 -7.469 5.500 1.00 0.00 H new ATOM 341 N GLU A 24 -5.458 -8.721 5.243 1.00 0.00 N ATOM 342 CA GLU A 24 -4.353 -8.017 4.603 1.00 0.00 C ATOM 343 C GLU A 24 -4.357 -8.256 3.096 1.00 0.00 C ATOM 344 O GLU A 24 -5.080 -9.118 2.595 1.00 0.00 O ATOM 345 CB GLU A 24 -3.018 -8.470 5.198 1.00 0.00 C ATOM 346 CG GLU A 24 -2.729 -7.874 6.566 1.00 0.00 C ATOM 347 CD GLU A 24 -1.244 -7.767 6.853 1.00 0.00 C ATOM 348 OE1 GLU A 24 -0.450 -7.794 5.889 1.00 0.00 O ATOM 349 OE2 GLU A 24 -0.875 -7.657 8.041 1.00 0.00 O ATOM 0 H GLU A 24 -5.179 -9.534 5.792 1.00 0.00 H new ATOM 0 HA GLU A 24 -4.481 -6.950 4.785 1.00 0.00 H new ATOM 0 HB2 GLU A 24 -3.015 -9.557 5.276 1.00 0.00 H new ATOM 0 HB3 GLU A 24 -2.214 -8.197 4.515 1.00 0.00 H new ATOM 0 HG2 GLU A 24 -3.180 -6.884 6.629 1.00 0.00 H new ATOM 0 HG3 GLU A 24 -3.200 -8.489 7.333 1.00 0.00 H new ATOM 356 N ILE A 25 -3.546 -7.485 2.379 1.00 0.00 N ATOM 357 CA ILE A 25 -3.455 -7.612 0.930 1.00 0.00 C ATOM 358 C ILE A 25 -2.006 -7.532 0.461 1.00 0.00 C ATOM 359 O ILE A 25 -1.232 -6.705 0.942 1.00 0.00 O ATOM 360 CB ILE A 25 -4.275 -6.521 0.217 1.00 0.00 C ATOM 361 CG1 ILE A 25 -3.993 -5.152 0.839 1.00 0.00 C ATOM 362 CG2 ILE A 25 -5.760 -6.844 0.285 1.00 0.00 C ATOM 363 CD1 ILE A 25 -4.359 -3.992 -0.061 1.00 0.00 C ATOM 0 H ILE A 25 -2.943 -6.766 2.778 1.00 0.00 H new ATOM 0 HA ILE A 25 -3.864 -8.589 0.672 1.00 0.00 H new ATOM 0 HB ILE A 25 -3.978 -6.491 -0.831 1.00 0.00 H new ATOM 0 HG12 ILE A 25 -4.548 -5.065 1.773 1.00 0.00 H new ATOM 0 HG13 ILE A 25 -2.934 -5.087 1.090 1.00 0.00 H new ATOM 0 HG21 ILE A 25 -6.326 -6.063 -0.223 1.00 0.00 H new ATOM 0 HG22 ILE A 25 -5.947 -7.802 -0.200 1.00 0.00 H new ATOM 0 HG23 ILE A 25 -6.073 -6.898 1.328 1.00 0.00 H new ATOM 0 HD11 ILE A 25 -4.132 -3.053 0.445 1.00 0.00 H new ATOM 0 HD12 ILE A 25 -3.785 -4.054 -0.986 1.00 0.00 H new ATOM 0 HD13 ILE A 25 -5.424 -4.032 -0.291 1.00 0.00 H new ATOM 375 N SER A 26 -1.647 -8.396 -0.483 1.00 0.00 N ATOM 376 CA SER A 26 -0.290 -8.425 -1.017 1.00 0.00 C ATOM 377 C SER A 26 -0.166 -7.513 -2.234 1.00 0.00 C ATOM 378 O SER A 26 -1.135 -7.293 -2.961 1.00 0.00 O ATOM 379 CB SER A 26 0.102 -9.854 -1.395 1.00 0.00 C ATOM 380 OG SER A 26 -0.773 -10.380 -2.379 1.00 0.00 O ATOM 0 H SER A 26 -2.277 -9.085 -0.894 1.00 0.00 H new ATOM 0 HA SER A 26 0.386 -8.063 -0.243 1.00 0.00 H new ATOM 0 HB2 SER A 26 1.125 -9.867 -1.770 1.00 0.00 H new ATOM 0 HB3 SER A 26 0.080 -10.487 -0.508 1.00 0.00 H new ATOM 0 HG SER A 26 -0.500 -11.294 -2.605 1.00 0.00 H new ATOM 386 N PHE A 27 1.034 -6.984 -2.449 1.00 0.00 N ATOM 387 CA PHE A 27 1.287 -6.094 -3.576 1.00 0.00 C ATOM 388 C PHE A 27 2.688 -6.315 -4.139 1.00 0.00 C ATOM 389 O PHE A 27 3.514 -6.997 -3.531 1.00 0.00 O ATOM 390 CB PHE A 27 1.120 -4.635 -3.149 1.00 0.00 C ATOM 391 CG PHE A 27 1.555 -4.370 -1.736 1.00 0.00 C ATOM 392 CD1 PHE A 27 0.770 -4.776 -0.668 1.00 0.00 C ATOM 393 CD2 PHE A 27 2.749 -3.717 -1.475 1.00 0.00 C ATOM 394 CE1 PHE A 27 1.168 -4.533 0.633 1.00 0.00 C ATOM 395 CE2 PHE A 27 3.151 -3.472 -0.176 1.00 0.00 C ATOM 396 CZ PHE A 27 2.360 -3.881 0.880 1.00 0.00 C ATOM 0 H PHE A 27 1.847 -7.156 -1.857 1.00 0.00 H new ATOM 0 HA PHE A 27 0.561 -6.321 -4.357 1.00 0.00 H new ATOM 0 HB2 PHE A 27 1.695 -4.000 -3.823 1.00 0.00 H new ATOM 0 HB3 PHE A 27 0.073 -4.350 -3.258 1.00 0.00 H new ATOM 0 HD1 PHE A 27 -0.163 -5.288 -0.855 1.00 0.00 H new ATOM 0 HD2 PHE A 27 3.372 -3.396 -2.296 1.00 0.00 H new ATOM 0 HE1 PHE A 27 0.547 -4.853 1.456 1.00 0.00 H new ATOM 0 HE2 PHE A 27 4.083 -2.961 0.014 1.00 0.00 H new ATOM 0 HZ PHE A 27 2.673 -3.691 1.896 1.00 0.00 H new ATOM 406 N LEU A 28 2.949 -5.733 -5.305 1.00 0.00 N ATOM 407 CA LEU A 28 4.250 -5.865 -5.952 1.00 0.00 C ATOM 408 C LEU A 28 4.837 -4.496 -6.278 1.00 0.00 C ATOM 409 O LEU A 28 4.117 -3.499 -6.349 1.00 0.00 O ATOM 410 CB LEU A 28 4.123 -6.696 -7.230 1.00 0.00 C ATOM 411 CG LEU A 28 3.683 -8.148 -7.046 1.00 0.00 C ATOM 412 CD1 LEU A 28 3.181 -8.725 -8.360 1.00 0.00 C ATOM 413 CD2 LEU A 28 4.828 -8.987 -6.496 1.00 0.00 C ATOM 0 H LEU A 28 2.277 -5.165 -5.821 1.00 0.00 H new ATOM 0 HA LEU A 28 4.923 -6.373 -5.261 1.00 0.00 H new ATOM 0 HB2 LEU A 28 3.410 -6.203 -7.891 1.00 0.00 H new ATOM 0 HB3 LEU A 28 5.086 -6.691 -7.740 1.00 0.00 H new ATOM 0 HG LEU A 28 2.864 -8.170 -6.327 1.00 0.00 H new ATOM 0 HD11 LEU A 28 2.872 -9.759 -8.209 1.00 0.00 H new ATOM 0 HD12 LEU A 28 2.331 -8.141 -8.713 1.00 0.00 H new ATOM 0 HD13 LEU A 28 3.979 -8.689 -9.102 1.00 0.00 H new ATOM 0 HD21 LEU A 28 4.497 -10.018 -6.371 1.00 0.00 H new ATOM 0 HD22 LEU A 28 5.667 -8.957 -7.191 1.00 0.00 H new ATOM 0 HD23 LEU A 28 5.141 -8.587 -5.531 1.00 0.00 H new ATOM 425 N LYS A 29 6.150 -4.453 -6.477 1.00 0.00 N ATOM 426 CA LYS A 29 6.836 -3.207 -6.799 1.00 0.00 C ATOM 427 C LYS A 29 6.185 -2.522 -7.996 1.00 0.00 C ATOM 428 O LYS A 29 6.207 -3.044 -9.110 1.00 0.00 O ATOM 429 CB LYS A 29 8.314 -3.476 -7.093 1.00 0.00 C ATOM 430 CG LYS A 29 9.221 -2.301 -6.772 1.00 0.00 C ATOM 431 CD LYS A 29 10.680 -2.635 -7.033 1.00 0.00 C ATOM 432 CE LYS A 29 11.501 -1.381 -7.291 1.00 0.00 C ATOM 433 NZ LYS A 29 12.960 -1.676 -7.352 1.00 0.00 N ATOM 0 H LYS A 29 6.761 -5.268 -6.421 1.00 0.00 H new ATOM 0 HA LYS A 29 6.758 -2.545 -5.937 1.00 0.00 H new ATOM 0 HB2 LYS A 29 8.639 -4.343 -6.517 1.00 0.00 H new ATOM 0 HB3 LYS A 29 8.425 -3.733 -8.146 1.00 0.00 H new ATOM 0 HG2 LYS A 29 8.930 -1.441 -7.375 1.00 0.00 H new ATOM 0 HG3 LYS A 29 9.093 -2.016 -5.728 1.00 0.00 H new ATOM 0 HD2 LYS A 29 11.091 -3.170 -6.177 1.00 0.00 H new ATOM 0 HD3 LYS A 29 10.754 -3.303 -7.892 1.00 0.00 H new ATOM 0 HE2 LYS A 29 11.183 -0.925 -8.229 1.00 0.00 H new ATOM 0 HE3 LYS A 29 11.310 -0.653 -6.502 1.00 0.00 H new ATOM 0 HZ1 LYS A 29 13.485 -0.796 -7.529 1.00 0.00 H new ATOM 0 HZ2 LYS A 29 13.269 -2.087 -6.448 1.00 0.00 H new ATOM 0 HZ3 LYS A 29 13.146 -2.351 -8.121 1.00 0.00 H new ATOM 447 N GLY A 30 5.607 -1.348 -7.759 1.00 0.00 N ATOM 448 CA GLY A 30 4.960 -0.610 -8.828 1.00 0.00 C ATOM 449 C GLY A 30 3.451 -0.756 -8.802 1.00 0.00 C ATOM 450 O GLY A 30 2.785 -0.565 -9.819 1.00 0.00 O ATOM 0 H GLY A 30 5.575 -0.895 -6.846 1.00 0.00 H new ATOM 0 HA2 GLY A 30 5.221 0.445 -8.747 1.00 0.00 H new ATOM 0 HA3 GLY A 30 5.339 -0.960 -9.788 1.00 0.00 H new ATOM 454 N ASP A 31 2.911 -1.098 -7.637 1.00 0.00 N ATOM 455 CA ASP A 31 1.472 -1.271 -7.483 1.00 0.00 C ATOM 456 C ASP A 31 0.846 -0.049 -6.817 1.00 0.00 C ATOM 457 O ASP A 31 1.361 0.458 -5.821 1.00 0.00 O ATOM 458 CB ASP A 31 1.172 -2.525 -6.661 1.00 0.00 C ATOM 459 CG ASP A 31 1.032 -3.763 -7.524 1.00 0.00 C ATOM 460 OD1 ASP A 31 1.971 -4.060 -8.292 1.00 0.00 O ATOM 461 OD2 ASP A 31 -0.017 -4.435 -7.433 1.00 0.00 O ATOM 0 H ASP A 31 3.449 -1.261 -6.786 1.00 0.00 H new ATOM 0 HA ASP A 31 1.037 -1.385 -8.476 1.00 0.00 H new ATOM 0 HB2 ASP A 31 1.971 -2.680 -5.935 1.00 0.00 H new ATOM 0 HB3 ASP A 31 0.252 -2.374 -6.096 1.00 0.00 H new ATOM 466 N MET A 32 -0.266 0.418 -7.374 1.00 0.00 N ATOM 467 CA MET A 32 -0.962 1.580 -6.833 1.00 0.00 C ATOM 468 C MET A 32 -2.009 1.158 -5.808 1.00 0.00 C ATOM 469 O MET A 32 -2.186 -0.030 -5.539 1.00 0.00 O ATOM 470 CB MET A 32 -1.625 2.374 -7.960 1.00 0.00 C ATOM 471 CG MET A 32 -0.685 3.349 -8.651 1.00 0.00 C ATOM 472 SD MET A 32 -1.231 3.780 -10.315 1.00 0.00 S ATOM 473 CE MET A 32 -0.741 5.500 -10.397 1.00 0.00 C ATOM 0 H MET A 32 -0.705 0.010 -8.200 1.00 0.00 H new ATOM 0 HA MET A 32 -0.228 2.213 -6.336 1.00 0.00 H new ATOM 0 HB2 MET A 32 -2.021 1.678 -8.699 1.00 0.00 H new ATOM 0 HB3 MET A 32 -2.473 2.925 -7.555 1.00 0.00 H new ATOM 0 HG2 MET A 32 -0.605 4.257 -8.053 1.00 0.00 H new ATOM 0 HG3 MET A 32 0.312 2.912 -8.702 1.00 0.00 H new ATOM 0 HE1 MET A 32 -1.028 5.915 -11.363 1.00 0.00 H new ATOM 0 HE2 MET A 32 -1.235 6.057 -9.601 1.00 0.00 H new ATOM 0 HE3 MET A 32 0.340 5.577 -10.276 1.00 0.00 H new ATOM 483 N PHE A 33 -2.702 2.139 -5.238 1.00 0.00 N ATOM 484 CA PHE A 33 -3.731 1.869 -4.241 1.00 0.00 C ATOM 485 C PHE A 33 -4.677 3.058 -4.100 1.00 0.00 C ATOM 486 O PHE A 33 -4.453 4.116 -4.690 1.00 0.00 O ATOM 487 CB PHE A 33 -3.090 1.549 -2.889 1.00 0.00 C ATOM 488 CG PHE A 33 -2.023 0.496 -2.966 1.00 0.00 C ATOM 489 CD1 PHE A 33 -0.710 0.840 -3.243 1.00 0.00 C ATOM 490 CD2 PHE A 33 -2.332 -0.839 -2.760 1.00 0.00 C ATOM 491 CE1 PHE A 33 0.274 -0.128 -3.315 1.00 0.00 C ATOM 492 CE2 PHE A 33 -1.352 -1.811 -2.830 1.00 0.00 C ATOM 493 CZ PHE A 33 -0.047 -1.455 -3.107 1.00 0.00 C ATOM 0 H PHE A 33 -2.569 3.128 -5.450 1.00 0.00 H new ATOM 0 HA PHE A 33 -4.308 1.006 -4.575 1.00 0.00 H new ATOM 0 HB2 PHE A 33 -2.660 2.461 -2.475 1.00 0.00 H new ATOM 0 HB3 PHE A 33 -3.865 1.219 -2.197 1.00 0.00 H new ATOM 0 HD1 PHE A 33 -0.452 1.876 -3.405 1.00 0.00 H new ATOM 0 HD2 PHE A 33 -3.351 -1.123 -2.542 1.00 0.00 H new ATOM 0 HE1 PHE A 33 1.294 0.153 -3.534 1.00 0.00 H new ATOM 0 HE2 PHE A 33 -1.607 -2.848 -2.668 1.00 0.00 H new ATOM 0 HZ PHE A 33 0.721 -2.213 -3.161 1.00 0.00 H new ATOM 503 N ILE A 34 -5.734 2.876 -3.316 1.00 0.00 N ATOM 504 CA ILE A 34 -6.713 3.933 -3.097 1.00 0.00 C ATOM 505 C ILE A 34 -7.074 4.051 -1.620 1.00 0.00 C ATOM 506 O ILE A 34 -8.021 3.422 -1.149 1.00 0.00 O ATOM 507 CB ILE A 34 -7.999 3.686 -3.909 1.00 0.00 C ATOM 508 CG1 ILE A 34 -7.656 3.400 -5.373 1.00 0.00 C ATOM 509 CG2 ILE A 34 -8.930 4.884 -3.803 1.00 0.00 C ATOM 510 CD1 ILE A 34 -8.803 2.799 -6.155 1.00 0.00 C ATOM 0 H ILE A 34 -5.934 2.006 -2.822 1.00 0.00 H new ATOM 0 HA ILE A 34 -6.253 4.863 -3.432 1.00 0.00 H new ATOM 0 HB ILE A 34 -8.510 2.815 -3.497 1.00 0.00 H new ATOM 0 HG12 ILE A 34 -7.346 4.328 -5.853 1.00 0.00 H new ATOM 0 HG13 ILE A 34 -6.804 2.721 -5.412 1.00 0.00 H new ATOM 0 HG21 ILE A 34 -9.834 4.695 -4.382 1.00 0.00 H new ATOM 0 HG22 ILE A 34 -9.195 5.047 -2.758 1.00 0.00 H new ATOM 0 HG23 ILE A 34 -8.429 5.770 -4.193 1.00 0.00 H new ATOM 0 HD11 ILE A 34 -8.489 2.623 -7.184 1.00 0.00 H new ATOM 0 HD12 ILE A 34 -9.099 1.854 -5.699 1.00 0.00 H new ATOM 0 HD13 ILE A 34 -9.649 3.486 -6.147 1.00 0.00 H new ATOM 522 N VAL A 35 -6.312 4.863 -0.894 1.00 0.00 N ATOM 523 CA VAL A 35 -6.552 5.067 0.530 1.00 0.00 C ATOM 524 C VAL A 35 -8.001 5.462 0.791 1.00 0.00 C ATOM 525 O VAL A 35 -8.440 6.546 0.406 1.00 0.00 O ATOM 526 CB VAL A 35 -5.624 6.153 1.106 1.00 0.00 C ATOM 527 CG1 VAL A 35 -5.820 6.280 2.609 1.00 0.00 C ATOM 528 CG2 VAL A 35 -4.172 5.843 0.773 1.00 0.00 C ATOM 0 H VAL A 35 -5.523 5.390 -1.268 1.00 0.00 H new ATOM 0 HA VAL A 35 -6.341 4.119 1.026 1.00 0.00 H new ATOM 0 HB VAL A 35 -5.882 7.108 0.648 1.00 0.00 H new ATOM 0 HG11 VAL A 35 -5.156 7.052 2.999 1.00 0.00 H new ATOM 0 HG12 VAL A 35 -6.855 6.551 2.819 1.00 0.00 H new ATOM 0 HG13 VAL A 35 -5.590 5.328 3.088 1.00 0.00 H new ATOM 0 HG21 VAL A 35 -3.530 6.620 1.187 1.00 0.00 H new ATOM 0 HG22 VAL A 35 -3.898 4.879 1.202 1.00 0.00 H new ATOM 0 HG23 VAL A 35 -4.047 5.807 -0.309 1.00 0.00 H new ATOM 538 N HIS A 36 -8.741 4.574 1.449 1.00 0.00 N ATOM 539 CA HIS A 36 -10.142 4.830 1.764 1.00 0.00 C ATOM 540 C HIS A 36 -10.313 5.176 3.241 1.00 0.00 C ATOM 541 O HIS A 36 -11.054 6.092 3.592 1.00 0.00 O ATOM 542 CB HIS A 36 -10.997 3.613 1.411 1.00 0.00 C ATOM 543 CG HIS A 36 -11.196 3.428 -0.062 1.00 0.00 C ATOM 544 ND1 HIS A 36 -11.924 4.304 -0.839 1.00 0.00 N ATOM 545 CD2 HIS A 36 -10.756 2.461 -0.900 1.00 0.00 C ATOM 546 CE1 HIS A 36 -11.925 3.883 -2.091 1.00 0.00 C ATOM 547 NE2 HIS A 36 -11.222 2.766 -2.155 1.00 0.00 N ATOM 0 H HIS A 36 -8.394 3.672 1.774 1.00 0.00 H new ATOM 0 HA HIS A 36 -10.472 5.681 1.169 1.00 0.00 H new ATOM 0 HB2 HIS A 36 -10.528 2.719 1.821 1.00 0.00 H new ATOM 0 HB3 HIS A 36 -11.970 3.711 1.891 1.00 0.00 H new ATOM 0 HD2 HIS A 36 -10.151 1.608 -0.632 1.00 0.00 H new ATOM 0 HE1 HIS A 36 -12.417 4.369 -2.921 1.00 0.00 H new ATOM 0 HE2 HIS A 36 -11.053 2.219 -2.999 1.00 0.00 H new ATOM 555 N ASN A 37 -9.621 4.434 4.100 1.00 0.00 N ATOM 556 CA ASN A 37 -9.698 4.661 5.539 1.00 0.00 C ATOM 557 C ASN A 37 -8.303 4.763 6.149 1.00 0.00 C ATOM 558 O ASN A 37 -7.487 3.852 6.010 1.00 0.00 O ATOM 559 CB ASN A 37 -10.481 3.533 6.214 1.00 0.00 C ATOM 560 CG ASN A 37 -11.146 3.980 7.501 1.00 0.00 C ATOM 561 OD1 ASN A 37 -12.158 4.681 7.479 1.00 0.00 O ATOM 562 ND2 ASN A 37 -10.578 3.576 8.631 1.00 0.00 N ATOM 0 H ASN A 37 -9.002 3.672 3.825 1.00 0.00 H new ATOM 0 HA ASN A 37 -10.218 5.604 5.705 1.00 0.00 H new ATOM 0 HB2 ASN A 37 -11.240 3.160 5.527 1.00 0.00 H new ATOM 0 HB3 ASN A 37 -9.807 2.703 6.426 1.00 0.00 H new ATOM 0 HD21 ASN A 37 -10.980 3.846 9.529 1.00 0.00 H new ATOM 0 HD22 ASN A 37 -9.740 2.996 8.601 1.00 0.00 H new ATOM 569 N GLU A 38 -8.038 5.877 6.824 1.00 0.00 N ATOM 570 CA GLU A 38 -6.741 6.096 7.455 1.00 0.00 C ATOM 571 C GLU A 38 -6.779 5.701 8.928 1.00 0.00 C ATOM 572 O GLU A 38 -7.357 6.405 9.757 1.00 0.00 O ATOM 573 CB GLU A 38 -6.326 7.563 7.319 1.00 0.00 C ATOM 574 CG GLU A 38 -6.218 8.034 5.879 1.00 0.00 C ATOM 575 CD GLU A 38 -5.441 9.330 5.746 1.00 0.00 C ATOM 576 OE1 GLU A 38 -5.489 10.151 6.685 1.00 0.00 O ATOM 577 OE2 GLU A 38 -4.783 9.521 4.701 1.00 0.00 O ATOM 0 H GLU A 38 -8.703 6.641 6.948 1.00 0.00 H new ATOM 0 HA GLU A 38 -6.007 5.469 6.948 1.00 0.00 H new ATOM 0 HB2 GLU A 38 -7.050 8.187 7.843 1.00 0.00 H new ATOM 0 HB3 GLU A 38 -5.365 7.707 7.813 1.00 0.00 H new ATOM 0 HG2 GLU A 38 -5.733 7.261 5.283 1.00 0.00 H new ATOM 0 HG3 GLU A 38 -7.219 8.171 5.469 1.00 0.00 H new ATOM 584 N LEU A 39 -6.160 4.570 9.246 1.00 0.00 N ATOM 585 CA LEU A 39 -6.122 4.078 10.620 1.00 0.00 C ATOM 586 C LEU A 39 -5.071 4.824 11.436 1.00 0.00 C ATOM 587 O LEU A 39 -4.437 5.757 10.944 1.00 0.00 O ATOM 588 CB LEU A 39 -5.828 2.577 10.637 1.00 0.00 C ATOM 589 CG LEU A 39 -6.951 1.668 10.138 1.00 0.00 C ATOM 590 CD1 LEU A 39 -8.275 2.053 10.779 1.00 0.00 C ATOM 591 CD2 LEU A 39 -7.053 1.729 8.621 1.00 0.00 C ATOM 0 H LEU A 39 -5.677 3.976 8.572 1.00 0.00 H new ATOM 0 HA LEU A 39 -7.098 4.255 11.071 1.00 0.00 H new ATOM 0 HB2 LEU A 39 -4.942 2.394 10.029 1.00 0.00 H new ATOM 0 HB3 LEU A 39 -5.580 2.287 11.658 1.00 0.00 H new ATOM 0 HG LEU A 39 -6.717 0.643 10.425 1.00 0.00 H new ATOM 0 HD11 LEU A 39 -9.062 1.395 10.411 1.00 0.00 H new ATOM 0 HD12 LEU A 39 -8.197 1.956 11.862 1.00 0.00 H new ATOM 0 HD13 LEU A 39 -8.516 3.085 10.524 1.00 0.00 H new ATOM 0 HD21 LEU A 39 -7.858 1.076 8.284 1.00 0.00 H new ATOM 0 HD22 LEU A 39 -7.263 2.753 8.311 1.00 0.00 H new ATOM 0 HD23 LEU A 39 -6.111 1.402 8.180 1.00 0.00 H new ATOM 603 N GLU A 40 -4.890 4.403 12.684 1.00 0.00 N ATOM 604 CA GLU A 40 -3.914 5.030 13.567 1.00 0.00 C ATOM 605 C GLU A 40 -2.754 4.082 13.857 1.00 0.00 C ATOM 606 O GLU A 40 -1.593 4.491 13.874 1.00 0.00 O ATOM 607 CB GLU A 40 -4.579 5.457 14.877 1.00 0.00 C ATOM 608 CG GLU A 40 -5.189 6.847 14.826 1.00 0.00 C ATOM 609 CD GLU A 40 -5.562 7.372 16.199 1.00 0.00 C ATOM 610 OE1 GLU A 40 -6.270 6.654 16.936 1.00 0.00 O ATOM 611 OE2 GLU A 40 -5.145 8.500 16.536 1.00 0.00 O ATOM 0 H GLU A 40 -5.406 3.631 13.106 1.00 0.00 H new ATOM 0 HA GLU A 40 -3.521 5.913 13.063 1.00 0.00 H new ATOM 0 HB2 GLU A 40 -5.357 4.737 15.131 1.00 0.00 H new ATOM 0 HB3 GLU A 40 -3.840 5.423 15.678 1.00 0.00 H new ATOM 0 HG2 GLU A 40 -4.482 7.533 14.359 1.00 0.00 H new ATOM 0 HG3 GLU A 40 -6.078 6.827 14.195 1.00 0.00 H new ATOM 618 N ASP A 41 -3.077 2.814 14.085 1.00 0.00 N ATOM 619 CA ASP A 41 -2.064 1.806 14.375 1.00 0.00 C ATOM 620 C ASP A 41 -0.884 1.931 13.415 1.00 0.00 C ATOM 621 O ASP A 41 0.220 1.477 13.711 1.00 0.00 O ATOM 622 CB ASP A 41 -2.667 0.404 14.281 1.00 0.00 C ATOM 623 CG ASP A 41 -3.966 0.280 15.052 1.00 0.00 C ATOM 624 OD1 ASP A 41 -5.035 0.540 14.460 1.00 0.00 O ATOM 625 OD2 ASP A 41 -3.915 -0.077 16.247 1.00 0.00 O ATOM 0 H ASP A 41 -4.033 2.459 14.075 1.00 0.00 H new ATOM 0 HA ASP A 41 -1.703 1.970 15.390 1.00 0.00 H new ATOM 0 HB2 ASP A 41 -2.844 0.157 13.234 1.00 0.00 H new ATOM 0 HB3 ASP A 41 -1.950 -0.323 14.663 1.00 0.00 H new ATOM 630 N GLY A 42 -1.127 2.550 12.264 1.00 0.00 N ATOM 631 CA GLY A 42 -0.076 2.723 11.278 1.00 0.00 C ATOM 632 C GLY A 42 -0.416 2.078 9.949 1.00 0.00 C ATOM 633 O GLY A 42 0.466 1.841 9.123 1.00 0.00 O ATOM 0 H GLY A 42 -2.033 2.935 11.997 1.00 0.00 H new ATOM 0 HA2 GLY A 42 0.104 3.787 11.126 1.00 0.00 H new ATOM 0 HA3 GLY A 42 0.850 2.294 11.660 1.00 0.00 H new ATOM 637 N TRP A 43 -1.696 1.791 9.743 1.00 0.00 N ATOM 638 CA TRP A 43 -2.150 1.168 8.505 1.00 0.00 C ATOM 639 C TRP A 43 -3.237 2.005 7.841 1.00 0.00 C ATOM 640 O TRP A 43 -3.648 3.038 8.369 1.00 0.00 O ATOM 641 CB TRP A 43 -2.673 -0.243 8.782 1.00 0.00 C ATOM 642 CG TRP A 43 -1.692 -1.106 9.516 1.00 0.00 C ATOM 643 CD1 TRP A 43 -1.063 -0.814 10.693 1.00 0.00 C ATOM 644 CD2 TRP A 43 -1.226 -2.401 9.121 1.00 0.00 C ATOM 645 NE1 TRP A 43 -0.235 -1.850 11.053 1.00 0.00 N ATOM 646 CE2 TRP A 43 -0.318 -2.836 10.106 1.00 0.00 C ATOM 647 CE3 TRP A 43 -1.490 -3.237 8.032 1.00 0.00 C ATOM 648 CZ2 TRP A 43 0.327 -4.067 10.031 1.00 0.00 C ATOM 649 CZ3 TRP A 43 -0.849 -4.459 7.960 1.00 0.00 C ATOM 650 CH2 TRP A 43 0.051 -4.865 8.954 1.00 0.00 C ATOM 0 H TRP A 43 -2.438 1.980 10.417 1.00 0.00 H new ATOM 0 HA TRP A 43 -1.300 1.106 7.826 1.00 0.00 H new ATOM 0 HB2 TRP A 43 -3.592 -0.174 9.364 1.00 0.00 H new ATOM 0 HB3 TRP A 43 -2.929 -0.720 7.836 1.00 0.00 H new ATOM 0 HD1 TRP A 43 -1.197 0.097 11.257 1.00 0.00 H new ATOM 0 HE1 TRP A 43 0.347 -1.880 11.890 1.00 0.00 H new ATOM 0 HE3 TRP A 43 -2.182 -2.933 7.261 1.00 0.00 H new ATOM 0 HZ2 TRP A 43 1.021 -4.382 10.796 1.00 0.00 H new ATOM 0 HZ3 TRP A 43 -1.045 -5.113 7.123 1.00 0.00 H new ATOM 0 HH2 TRP A 43 0.536 -5.826 8.869 1.00 0.00 H new ATOM 661 N MET A 44 -3.700 1.552 6.680 1.00 0.00 N ATOM 662 CA MET A 44 -4.742 2.260 5.945 1.00 0.00 C ATOM 663 C MET A 44 -5.493 1.311 5.016 1.00 0.00 C ATOM 664 O MET A 44 -4.885 0.602 4.215 1.00 0.00 O ATOM 665 CB MET A 44 -4.135 3.408 5.136 1.00 0.00 C ATOM 666 CG MET A 44 -3.040 4.160 5.876 1.00 0.00 C ATOM 667 SD MET A 44 -2.208 5.376 4.837 1.00 0.00 S ATOM 668 CE MET A 44 -1.209 4.310 3.802 1.00 0.00 C ATOM 0 H MET A 44 -3.370 0.699 6.229 1.00 0.00 H new ATOM 0 HA MET A 44 -5.448 2.668 6.668 1.00 0.00 H new ATOM 0 HB2 MET A 44 -3.727 3.011 4.206 1.00 0.00 H new ATOM 0 HB3 MET A 44 -4.925 4.108 4.864 1.00 0.00 H new ATOM 0 HG2 MET A 44 -3.471 4.662 6.742 1.00 0.00 H new ATOM 0 HG3 MET A 44 -2.306 3.447 6.253 1.00 0.00 H new ATOM 0 HE1 MET A 44 -0.470 4.909 3.269 1.00 0.00 H new ATOM 0 HE2 MET A 44 -0.699 3.574 4.423 1.00 0.00 H new ATOM 0 HE3 MET A 44 -1.848 3.798 3.083 1.00 0.00 H new ATOM 678 N TRP A 45 -6.816 1.303 5.131 1.00 0.00 N ATOM 679 CA TRP A 45 -7.649 0.440 4.301 1.00 0.00 C ATOM 680 C TRP A 45 -7.619 0.890 2.845 1.00 0.00 C ATOM 681 O TRP A 45 -8.447 1.693 2.416 1.00 0.00 O ATOM 682 CB TRP A 45 -9.089 0.438 4.817 1.00 0.00 C ATOM 683 CG TRP A 45 -9.991 -0.490 4.060 1.00 0.00 C ATOM 684 CD1 TRP A 45 -10.655 -0.219 2.898 1.00 0.00 C ATOM 685 CD2 TRP A 45 -10.327 -1.836 4.412 1.00 0.00 C ATOM 686 NE1 TRP A 45 -11.385 -1.316 2.507 1.00 0.00 N ATOM 687 CE2 TRP A 45 -11.199 -2.321 3.419 1.00 0.00 C ATOM 688 CE3 TRP A 45 -9.974 -2.679 5.469 1.00 0.00 C ATOM 689 CZ2 TRP A 45 -11.723 -3.611 3.454 1.00 0.00 C ATOM 690 CZ3 TRP A 45 -10.495 -3.959 5.503 1.00 0.00 C ATOM 691 CH2 TRP A 45 -11.361 -4.415 4.500 1.00 0.00 C ATOM 0 H TRP A 45 -7.335 1.884 5.790 1.00 0.00 H new ATOM 0 HA TRP A 45 -7.248 -0.572 4.357 1.00 0.00 H new ATOM 0 HB2 TRP A 45 -9.090 0.155 5.870 1.00 0.00 H new ATOM 0 HB3 TRP A 45 -9.490 1.450 4.759 1.00 0.00 H new ATOM 0 HD1 TRP A 45 -10.613 0.719 2.365 1.00 0.00 H new ATOM 0 HE1 TRP A 45 -11.970 -1.373 1.673 1.00 0.00 H new ATOM 0 HE3 TRP A 45 -9.306 -2.337 6.246 1.00 0.00 H new ATOM 0 HZ2 TRP A 45 -12.391 -3.964 2.683 1.00 0.00 H new ATOM 0 HZ3 TRP A 45 -10.230 -4.619 6.316 1.00 0.00 H new ATOM 0 HH2 TRP A 45 -11.750 -5.421 4.554 1.00 0.00 H new ATOM 702 N VAL A 46 -6.658 0.367 2.089 1.00 0.00 N ATOM 703 CA VAL A 46 -6.521 0.715 0.679 1.00 0.00 C ATOM 704 C VAL A 46 -7.039 -0.405 -0.216 1.00 0.00 C ATOM 705 O VAL A 46 -7.129 -1.560 0.203 1.00 0.00 O ATOM 706 CB VAL A 46 -5.054 1.012 0.315 1.00 0.00 C ATOM 707 CG1 VAL A 46 -4.393 1.847 1.400 1.00 0.00 C ATOM 708 CG2 VAL A 46 -4.290 -0.284 0.087 1.00 0.00 C ATOM 0 H VAL A 46 -5.964 -0.298 2.429 1.00 0.00 H new ATOM 0 HA VAL A 46 -7.117 1.612 0.514 1.00 0.00 H new ATOM 0 HB VAL A 46 -5.036 1.586 -0.612 1.00 0.00 H new ATOM 0 HG11 VAL A 46 -3.357 2.047 1.125 1.00 0.00 H new ATOM 0 HG12 VAL A 46 -4.928 2.790 1.509 1.00 0.00 H new ATOM 0 HG13 VAL A 46 -4.419 1.303 2.344 1.00 0.00 H new ATOM 0 HG21 VAL A 46 -3.255 -0.056 -0.169 1.00 0.00 H new ATOM 0 HG22 VAL A 46 -4.315 -0.886 0.996 1.00 0.00 H new ATOM 0 HG23 VAL A 46 -4.752 -0.840 -0.729 1.00 0.00 H new ATOM 718 N THR A 47 -7.380 -0.057 -1.453 1.00 0.00 N ATOM 719 CA THR A 47 -7.890 -1.033 -2.408 1.00 0.00 C ATOM 720 C THR A 47 -6.963 -1.160 -3.612 1.00 0.00 C ATOM 721 O THR A 47 -7.003 -0.340 -4.528 1.00 0.00 O ATOM 722 CB THR A 47 -9.300 -0.654 -2.899 1.00 0.00 C ATOM 723 OG1 THR A 47 -10.180 -0.493 -1.781 1.00 0.00 O ATOM 724 CG2 THR A 47 -9.851 -1.719 -3.835 1.00 0.00 C ATOM 0 H THR A 47 -7.312 0.893 -1.817 1.00 0.00 H new ATOM 0 HA THR A 47 -7.939 -1.989 -1.887 1.00 0.00 H new ATOM 0 HB THR A 47 -9.231 0.287 -3.445 1.00 0.00 H new ATOM 0 HG1 THR A 47 -9.807 -0.955 -1.002 1.00 0.00 H new ATOM 0 HG21 THR A 47 -10.847 -1.430 -4.169 1.00 0.00 H new ATOM 0 HG22 THR A 47 -9.194 -1.819 -4.699 1.00 0.00 H new ATOM 0 HG23 THR A 47 -9.907 -2.672 -3.309 1.00 0.00 H new ATOM 732 N ASN A 48 -6.128 -2.194 -3.604 1.00 0.00 N ATOM 733 CA ASN A 48 -5.191 -2.428 -4.696 1.00 0.00 C ATOM 734 C ASN A 48 -5.898 -2.356 -6.045 1.00 0.00 C ATOM 735 O ASN A 48 -6.994 -2.892 -6.214 1.00 0.00 O ATOM 736 CB ASN A 48 -4.517 -3.793 -4.533 1.00 0.00 C ATOM 737 CG ASN A 48 -3.133 -3.831 -5.153 1.00 0.00 C ATOM 738 OD1 ASN A 48 -2.957 -3.501 -6.326 1.00 0.00 O ATOM 739 ND2 ASN A 48 -2.144 -4.237 -4.366 1.00 0.00 N ATOM 0 H ASN A 48 -6.081 -2.883 -2.853 1.00 0.00 H new ATOM 0 HA ASN A 48 -4.431 -1.648 -4.663 1.00 0.00 H new ATOM 0 HB2 ASN A 48 -4.444 -4.035 -3.473 1.00 0.00 H new ATOM 0 HB3 ASN A 48 -5.140 -4.560 -4.993 1.00 0.00 H new ATOM 0 HD21 ASN A 48 -1.191 -4.285 -4.728 1.00 0.00 H new ATOM 0 HD22 ASN A 48 -2.337 -4.501 -3.400 1.00 0.00 H new ATOM 746 N LEU A 49 -5.265 -1.690 -7.004 1.00 0.00 N ATOM 747 CA LEU A 49 -5.833 -1.547 -8.340 1.00 0.00 C ATOM 748 C LEU A 49 -5.453 -2.731 -9.223 1.00 0.00 C ATOM 749 O LEU A 49 -6.115 -3.011 -10.222 1.00 0.00 O ATOM 750 CB LEU A 49 -5.355 -0.244 -8.983 1.00 0.00 C ATOM 751 CG LEU A 49 -5.919 1.046 -8.384 1.00 0.00 C ATOM 752 CD1 LEU A 49 -5.285 2.261 -9.042 1.00 0.00 C ATOM 753 CD2 LEU A 49 -7.433 1.085 -8.531 1.00 0.00 C ATOM 0 H LEU A 49 -4.358 -1.240 -6.881 1.00 0.00 H new ATOM 0 HA LEU A 49 -6.919 -1.521 -8.245 1.00 0.00 H new ATOM 0 HB2 LEU A 49 -4.268 -0.207 -8.917 1.00 0.00 H new ATOM 0 HB3 LEU A 49 -5.609 -0.270 -10.043 1.00 0.00 H new ATOM 0 HG LEU A 49 -5.677 1.067 -7.321 1.00 0.00 H new ATOM 0 HD11 LEU A 49 -5.698 3.169 -8.603 1.00 0.00 H new ATOM 0 HD12 LEU A 49 -4.207 2.239 -8.884 1.00 0.00 H new ATOM 0 HD13 LEU A 49 -5.495 2.247 -10.112 1.00 0.00 H new ATOM 0 HD21 LEU A 49 -7.817 2.009 -8.099 1.00 0.00 H new ATOM 0 HD22 LEU A 49 -7.697 1.041 -9.588 1.00 0.00 H new ATOM 0 HD23 LEU A 49 -7.871 0.233 -8.011 1.00 0.00 H new ATOM 765 N ARG A 50 -4.383 -3.425 -8.846 1.00 0.00 N ATOM 766 CA ARG A 50 -3.916 -4.580 -9.603 1.00 0.00 C ATOM 767 C ARG A 50 -4.764 -5.810 -9.296 1.00 0.00 C ATOM 768 O ARG A 50 -5.325 -6.433 -10.199 1.00 0.00 O ATOM 769 CB ARG A 50 -2.448 -4.866 -9.282 1.00 0.00 C ATOM 770 CG ARG A 50 -1.819 -5.912 -10.188 1.00 0.00 C ATOM 771 CD ARG A 50 -2.014 -7.316 -9.636 1.00 0.00 C ATOM 772 NE ARG A 50 -1.060 -7.625 -8.575 1.00 0.00 N ATOM 773 CZ ARG A 50 -0.949 -8.823 -8.012 1.00 0.00 C ATOM 774 NH1 ARG A 50 -1.729 -9.820 -8.407 1.00 0.00 N ATOM 775 NH2 ARG A 50 -0.056 -9.026 -7.052 1.00 0.00 N ATOM 0 H ARG A 50 -3.824 -3.207 -8.021 1.00 0.00 H new ATOM 0 HA ARG A 50 -4.011 -4.351 -10.664 1.00 0.00 H new ATOM 0 HB2 ARG A 50 -1.880 -3.939 -9.362 1.00 0.00 H new ATOM 0 HB3 ARG A 50 -2.369 -5.199 -8.247 1.00 0.00 H new ATOM 0 HG2 ARG A 50 -2.260 -5.846 -11.183 1.00 0.00 H new ATOM 0 HG3 ARG A 50 -0.754 -5.707 -10.297 1.00 0.00 H new ATOM 0 HD2 ARG A 50 -3.029 -7.416 -9.251 1.00 0.00 H new ATOM 0 HD3 ARG A 50 -1.906 -8.041 -10.443 1.00 0.00 H new ATOM 0 HE ARG A 50 -0.445 -6.880 -8.248 1.00 0.00 H new ATOM 0 HH11 ARG A 50 -2.416 -9.668 -9.145 1.00 0.00 H new ATOM 0 HH12 ARG A 50 -1.641 -10.739 -7.973 1.00 0.00 H new ATOM 0 HH21 ARG A 50 0.546 -8.262 -6.746 1.00 0.00 H new ATOM 0 HH22 ARG A 50 0.028 -9.946 -6.620 1.00 0.00 H new ATOM 789 N THR A 51 -4.854 -6.157 -8.016 1.00 0.00 N ATOM 790 CA THR A 51 -5.632 -7.313 -7.590 1.00 0.00 C ATOM 791 C THR A 51 -7.102 -6.952 -7.412 1.00 0.00 C ATOM 792 O THR A 51 -7.976 -7.817 -7.477 1.00 0.00 O ATOM 793 CB THR A 51 -5.094 -7.896 -6.269 1.00 0.00 C ATOM 794 OG1 THR A 51 -5.198 -6.921 -5.225 1.00 0.00 O ATOM 795 CG2 THR A 51 -3.645 -8.333 -6.420 1.00 0.00 C ATOM 0 H THR A 51 -4.397 -5.653 -7.256 1.00 0.00 H new ATOM 0 HA THR A 51 -5.538 -8.064 -8.375 1.00 0.00 H new ATOM 0 HB THR A 51 -5.694 -8.769 -6.012 1.00 0.00 H new ATOM 0 HG1 THR A 51 -4.856 -7.300 -4.388 1.00 0.00 H new ATOM 0 HG21 THR A 51 -3.288 -8.741 -5.475 1.00 0.00 H new ATOM 0 HG22 THR A 51 -3.574 -9.097 -7.195 1.00 0.00 H new ATOM 0 HG23 THR A 51 -3.033 -7.475 -6.699 1.00 0.00 H new ATOM 803 N ASP A 52 -7.368 -5.670 -7.188 1.00 0.00 N ATOM 804 CA ASP A 52 -8.734 -5.194 -7.002 1.00 0.00 C ATOM 805 C ASP A 52 -9.324 -5.730 -5.702 1.00 0.00 C ATOM 806 O ASP A 52 -10.473 -6.169 -5.666 1.00 0.00 O ATOM 807 CB ASP A 52 -9.608 -5.613 -8.185 1.00 0.00 C ATOM 808 CG ASP A 52 -10.834 -4.735 -8.339 1.00 0.00 C ATOM 809 OD1 ASP A 52 -11.649 -4.683 -7.393 1.00 0.00 O ATOM 810 OD2 ASP A 52 -10.979 -4.099 -9.404 1.00 0.00 O ATOM 0 H ASP A 52 -6.656 -4.942 -7.131 1.00 0.00 H new ATOM 0 HA ASP A 52 -8.709 -4.106 -6.946 1.00 0.00 H new ATOM 0 HB2 ASP A 52 -9.018 -5.572 -9.101 1.00 0.00 H new ATOM 0 HB3 ASP A 52 -9.921 -6.649 -8.053 1.00 0.00 H new ATOM 815 N GLU A 53 -8.530 -5.692 -4.637 1.00 0.00 N ATOM 816 CA GLU A 53 -8.975 -6.177 -3.335 1.00 0.00 C ATOM 817 C GLU A 53 -8.666 -5.158 -2.241 1.00 0.00 C ATOM 818 O GLU A 53 -7.697 -4.406 -2.336 1.00 0.00 O ATOM 819 CB GLU A 53 -8.304 -7.513 -3.008 1.00 0.00 C ATOM 820 CG GLU A 53 -8.730 -8.648 -3.923 1.00 0.00 C ATOM 821 CD GLU A 53 -8.360 -10.011 -3.373 1.00 0.00 C ATOM 822 OE1 GLU A 53 -7.153 -10.329 -3.338 1.00 0.00 O ATOM 823 OE2 GLU A 53 -9.277 -10.761 -2.977 1.00 0.00 O ATOM 0 H GLU A 53 -7.576 -5.331 -4.649 1.00 0.00 H new ATOM 0 HA GLU A 53 -10.054 -6.322 -3.378 1.00 0.00 H new ATOM 0 HB2 GLU A 53 -7.223 -7.392 -3.072 1.00 0.00 H new ATOM 0 HB3 GLU A 53 -8.534 -7.783 -1.977 1.00 0.00 H new ATOM 0 HG2 GLU A 53 -9.808 -8.602 -4.075 1.00 0.00 H new ATOM 0 HG3 GLU A 53 -8.265 -8.516 -4.900 1.00 0.00 H new ATOM 830 N GLN A 54 -9.498 -5.142 -1.205 1.00 0.00 N ATOM 831 CA GLN A 54 -9.315 -4.215 -0.094 1.00 0.00 C ATOM 832 C GLN A 54 -8.619 -4.901 1.077 1.00 0.00 C ATOM 833 O GLN A 54 -8.856 -6.076 1.352 1.00 0.00 O ATOM 834 CB GLN A 54 -10.665 -3.654 0.357 1.00 0.00 C ATOM 835 CG GLN A 54 -11.621 -3.372 -0.790 1.00 0.00 C ATOM 836 CD GLN A 54 -12.904 -2.708 -0.331 1.00 0.00 C ATOM 837 OE1 GLN A 54 -13.668 -3.278 0.448 1.00 0.00 O ATOM 838 NE2 GLN A 54 -13.147 -1.494 -0.813 1.00 0.00 N ATOM 0 H GLN A 54 -10.304 -5.759 -1.111 1.00 0.00 H new ATOM 0 HA GLN A 54 -8.685 -3.394 -0.437 1.00 0.00 H new ATOM 0 HB2 GLN A 54 -11.132 -4.361 1.043 1.00 0.00 H new ATOM 0 HB3 GLN A 54 -10.498 -2.732 0.915 1.00 0.00 H new ATOM 0 HG2 GLN A 54 -11.127 -2.732 -1.521 1.00 0.00 H new ATOM 0 HG3 GLN A 54 -11.861 -4.307 -1.296 1.00 0.00 H new ATOM 0 HE21 GLN A 54 -12.486 -1.059 -1.457 1.00 0.00 H new ATOM 0 HE22 GLN A 54 -13.995 -0.997 -0.539 1.00 0.00 H new ATOM 847 N GLY A 55 -7.757 -4.157 1.764 1.00 0.00 N ATOM 848 CA GLY A 55 -7.039 -4.711 2.898 1.00 0.00 C ATOM 849 C GLY A 55 -6.203 -3.671 3.618 1.00 0.00 C ATOM 850 O GLY A 55 -6.056 -2.544 3.143 1.00 0.00 O ATOM 0 H GLY A 55 -7.543 -3.182 1.556 1.00 0.00 H new ATOM 0 HA2 GLY A 55 -7.752 -5.148 3.597 1.00 0.00 H new ATOM 0 HA3 GLY A 55 -6.393 -5.519 2.556 1.00 0.00 H new ATOM 854 N LEU A 56 -5.656 -4.048 4.769 1.00 0.00 N ATOM 855 CA LEU A 56 -4.832 -3.139 5.558 1.00 0.00 C ATOM 856 C LEU A 56 -3.364 -3.252 5.161 1.00 0.00 C ATOM 857 O LEU A 56 -2.854 -4.351 4.938 1.00 0.00 O ATOM 858 CB LEU A 56 -4.993 -3.438 7.049 1.00 0.00 C ATOM 859 CG LEU A 56 -6.429 -3.483 7.573 1.00 0.00 C ATOM 860 CD1 LEU A 56 -6.484 -4.191 8.918 1.00 0.00 C ATOM 861 CD2 LEU A 56 -7.000 -2.077 7.685 1.00 0.00 C ATOM 0 H LEU A 56 -5.768 -4.976 5.176 1.00 0.00 H new ATOM 0 HA LEU A 56 -5.166 -2.120 5.360 1.00 0.00 H new ATOM 0 HB2 LEU A 56 -4.520 -4.397 7.260 1.00 0.00 H new ATOM 0 HB3 LEU A 56 -4.445 -2.682 7.612 1.00 0.00 H new ATOM 0 HG LEU A 56 -7.037 -4.045 6.864 1.00 0.00 H new ATOM 0 HD11 LEU A 56 -7.513 -4.214 9.275 1.00 0.00 H new ATOM 0 HD12 LEU A 56 -6.116 -5.211 8.808 1.00 0.00 H new ATOM 0 HD13 LEU A 56 -5.862 -3.657 9.636 1.00 0.00 H new ATOM 0 HD21 LEU A 56 -8.022 -2.128 8.059 1.00 0.00 H new ATOM 0 HD22 LEU A 56 -6.391 -1.491 8.373 1.00 0.00 H new ATOM 0 HD23 LEU A 56 -6.996 -1.604 6.703 1.00 0.00 H new ATOM 873 N ILE A 57 -2.689 -2.110 5.076 1.00 0.00 N ATOM 874 CA ILE A 57 -1.279 -2.082 4.709 1.00 0.00 C ATOM 875 C ILE A 57 -0.537 -0.982 5.461 1.00 0.00 C ATOM 876 O ILE A 57 -1.142 -0.014 5.922 1.00 0.00 O ATOM 877 CB ILE A 57 -1.095 -1.867 3.195 1.00 0.00 C ATOM 878 CG1 ILE A 57 -1.616 -0.488 2.787 1.00 0.00 C ATOM 879 CG2 ILE A 57 -1.808 -2.961 2.415 1.00 0.00 C ATOM 880 CD1 ILE A 57 -0.892 0.103 1.597 1.00 0.00 C ATOM 0 H ILE A 57 -3.096 -1.192 5.256 1.00 0.00 H new ATOM 0 HA ILE A 57 -0.863 -3.051 4.983 1.00 0.00 H new ATOM 0 HB ILE A 57 -0.031 -1.916 2.962 1.00 0.00 H new ATOM 0 HG12 ILE A 57 -2.678 -0.564 2.555 1.00 0.00 H new ATOM 0 HG13 ILE A 57 -1.522 0.192 3.634 1.00 0.00 H new ATOM 0 HG21 ILE A 57 -1.669 -2.796 1.347 1.00 0.00 H new ATOM 0 HG22 ILE A 57 -1.394 -3.932 2.689 1.00 0.00 H new ATOM 0 HG23 ILE A 57 -2.872 -2.941 2.650 1.00 0.00 H new ATOM 0 HD11 ILE A 57 -1.313 1.081 1.364 1.00 0.00 H new ATOM 0 HD12 ILE A 57 0.167 0.211 1.832 1.00 0.00 H new ATOM 0 HD13 ILE A 57 -1.007 -0.556 0.737 1.00 0.00 H new ATOM 892 N VAL A 58 0.777 -1.137 5.580 1.00 0.00 N ATOM 893 CA VAL A 58 1.603 -0.155 6.273 1.00 0.00 C ATOM 894 C VAL A 58 2.015 0.976 5.337 1.00 0.00 C ATOM 895 O VAL A 58 2.299 0.749 4.162 1.00 0.00 O ATOM 896 CB VAL A 58 2.868 -0.804 6.865 1.00 0.00 C ATOM 897 CG1 VAL A 58 3.810 -1.248 5.756 1.00 0.00 C ATOM 898 CG2 VAL A 58 3.566 0.159 7.814 1.00 0.00 C ATOM 0 H VAL A 58 1.293 -1.933 5.206 1.00 0.00 H new ATOM 0 HA VAL A 58 0.999 0.251 7.084 1.00 0.00 H new ATOM 0 HB VAL A 58 2.571 -1.686 7.432 1.00 0.00 H new ATOM 0 HG11 VAL A 58 4.698 -1.704 6.194 1.00 0.00 H new ATOM 0 HG12 VAL A 58 3.305 -1.974 5.119 1.00 0.00 H new ATOM 0 HG13 VAL A 58 4.103 -0.384 5.159 1.00 0.00 H new ATOM 0 HG21 VAL A 58 4.458 -0.316 8.223 1.00 0.00 H new ATOM 0 HG22 VAL A 58 3.851 1.061 7.272 1.00 0.00 H new ATOM 0 HG23 VAL A 58 2.890 0.423 8.627 1.00 0.00 H new ATOM 908 N GLU A 59 2.046 2.194 5.868 1.00 0.00 N ATOM 909 CA GLU A 59 2.424 3.361 5.079 1.00 0.00 C ATOM 910 C GLU A 59 3.941 3.459 4.944 1.00 0.00 C ATOM 911 O GLU A 59 4.456 4.311 4.221 1.00 0.00 O ATOM 912 CB GLU A 59 1.874 4.637 5.719 1.00 0.00 C ATOM 913 CG GLU A 59 2.713 5.147 6.878 1.00 0.00 C ATOM 914 CD GLU A 59 2.250 6.500 7.383 1.00 0.00 C ATOM 915 OE1 GLU A 59 1.023 6.705 7.490 1.00 0.00 O ATOM 916 OE2 GLU A 59 3.116 7.353 7.671 1.00 0.00 O ATOM 0 H GLU A 59 1.814 2.398 6.840 1.00 0.00 H new ATOM 0 HA GLU A 59 1.995 3.249 4.083 1.00 0.00 H new ATOM 0 HB2 GLU A 59 1.808 5.415 4.959 1.00 0.00 H new ATOM 0 HB3 GLU A 59 0.860 4.449 6.071 1.00 0.00 H new ATOM 0 HG2 GLU A 59 2.674 4.426 7.695 1.00 0.00 H new ATOM 0 HG3 GLU A 59 3.754 5.218 6.564 1.00 0.00 H new ATOM 923 N ASP A 60 4.649 2.582 5.647 1.00 0.00 N ATOM 924 CA ASP A 60 6.107 2.569 5.607 1.00 0.00 C ATOM 925 C ASP A 60 6.609 1.802 4.388 1.00 0.00 C ATOM 926 O ASP A 60 7.785 1.886 4.029 1.00 0.00 O ATOM 927 CB ASP A 60 6.668 1.944 6.885 1.00 0.00 C ATOM 928 CG ASP A 60 8.089 2.387 7.171 1.00 0.00 C ATOM 929 OD1 ASP A 60 8.977 2.103 6.341 1.00 0.00 O ATOM 930 OD2 ASP A 60 8.313 3.019 8.225 1.00 0.00 O ATOM 0 H ASP A 60 4.237 1.871 6.251 1.00 0.00 H new ATOM 0 HA ASP A 60 6.454 3.600 5.534 1.00 0.00 H new ATOM 0 HB2 ASP A 60 6.030 2.212 7.727 1.00 0.00 H new ATOM 0 HB3 ASP A 60 6.640 0.858 6.797 1.00 0.00 H new ATOM 935 N LEU A 61 5.713 1.053 3.755 1.00 0.00 N ATOM 936 CA LEU A 61 6.065 0.270 2.576 1.00 0.00 C ATOM 937 C LEU A 61 5.586 0.958 1.302 1.00 0.00 C ATOM 938 O LEU A 61 5.870 0.502 0.194 1.00 0.00 O ATOM 939 CB LEU A 61 5.460 -1.132 2.671 1.00 0.00 C ATOM 940 CG LEU A 61 6.280 -2.167 3.441 1.00 0.00 C ATOM 941 CD1 LEU A 61 5.493 -3.457 3.607 1.00 0.00 C ATOM 942 CD2 LEU A 61 7.602 -2.433 2.735 1.00 0.00 C ATOM 0 H LEU A 61 4.737 0.971 4.039 1.00 0.00 H new ATOM 0 HA LEU A 61 7.151 0.188 2.536 1.00 0.00 H new ATOM 0 HB2 LEU A 61 4.480 -1.052 3.141 1.00 0.00 H new ATOM 0 HB3 LEU A 61 5.299 -1.505 1.660 1.00 0.00 H new ATOM 0 HG LEU A 61 6.494 -1.767 4.432 1.00 0.00 H new ATOM 0 HD11 LEU A 61 6.093 -4.181 4.157 1.00 0.00 H new ATOM 0 HD12 LEU A 61 4.574 -3.254 4.157 1.00 0.00 H new ATOM 0 HD13 LEU A 61 5.246 -3.862 2.625 1.00 0.00 H new ATOM 0 HD21 LEU A 61 8.172 -3.172 3.297 1.00 0.00 H new ATOM 0 HD22 LEU A 61 7.409 -2.811 1.731 1.00 0.00 H new ATOM 0 HD23 LEU A 61 8.173 -1.507 2.670 1.00 0.00 H new ATOM 954 N VAL A 62 4.860 2.059 1.467 1.00 0.00 N ATOM 955 CA VAL A 62 4.345 2.812 0.330 1.00 0.00 C ATOM 956 C VAL A 62 4.835 4.256 0.359 1.00 0.00 C ATOM 957 O VAL A 62 5.425 4.701 1.343 1.00 0.00 O ATOM 958 CB VAL A 62 2.805 2.805 0.304 1.00 0.00 C ATOM 959 CG1 VAL A 62 2.282 1.403 0.029 1.00 0.00 C ATOM 960 CG2 VAL A 62 2.247 3.343 1.613 1.00 0.00 C ATOM 0 H VAL A 62 4.615 2.449 2.377 1.00 0.00 H new ATOM 0 HA VAL A 62 4.719 2.323 -0.569 1.00 0.00 H new ATOM 0 HB VAL A 62 2.470 3.457 -0.503 1.00 0.00 H new ATOM 0 HG11 VAL A 62 1.192 1.418 0.014 1.00 0.00 H new ATOM 0 HG12 VAL A 62 2.653 1.059 -0.936 1.00 0.00 H new ATOM 0 HG13 VAL A 62 2.625 0.727 0.812 1.00 0.00 H new ATOM 0 HG21 VAL A 62 1.158 3.331 1.577 1.00 0.00 H new ATOM 0 HG22 VAL A 62 2.590 2.719 2.438 1.00 0.00 H new ATOM 0 HG23 VAL A 62 2.593 4.366 1.763 1.00 0.00 H new ATOM 970 N GLU A 63 4.585 4.982 -0.725 1.00 0.00 N ATOM 971 CA GLU A 63 5.001 6.376 -0.823 1.00 0.00 C ATOM 972 C GLU A 63 3.913 7.224 -1.476 1.00 0.00 C ATOM 973 O GLU A 63 3.211 6.765 -2.376 1.00 0.00 O ATOM 974 CB GLU A 63 6.300 6.488 -1.624 1.00 0.00 C ATOM 975 CG GLU A 63 6.103 6.356 -3.125 1.00 0.00 C ATOM 976 CD GLU A 63 7.368 6.653 -3.908 1.00 0.00 C ATOM 977 OE1 GLU A 63 7.983 7.712 -3.660 1.00 0.00 O ATOM 978 OE2 GLU A 63 7.742 5.828 -4.767 1.00 0.00 O ATOM 0 H GLU A 63 4.097 4.629 -1.548 1.00 0.00 H new ATOM 0 HA GLU A 63 5.171 6.750 0.187 1.00 0.00 H new ATOM 0 HB2 GLU A 63 6.767 7.450 -1.411 1.00 0.00 H new ATOM 0 HB3 GLU A 63 6.992 5.716 -1.288 1.00 0.00 H new ATOM 0 HG2 GLU A 63 5.766 5.345 -3.356 1.00 0.00 H new ATOM 0 HG3 GLU A 63 5.314 7.036 -3.445 1.00 0.00 H new ATOM 985 N GLU A 64 3.781 8.464 -1.015 1.00 0.00 N ATOM 986 CA GLU A 64 2.778 9.376 -1.553 1.00 0.00 C ATOM 987 C GLU A 64 3.200 9.901 -2.922 1.00 0.00 C ATOM 988 O GLU A 64 4.284 10.463 -3.077 1.00 0.00 O ATOM 989 CB GLU A 64 2.553 10.545 -0.592 1.00 0.00 C ATOM 990 CG GLU A 64 3.636 11.608 -0.663 1.00 0.00 C ATOM 991 CD GLU A 64 3.529 12.627 0.455 1.00 0.00 C ATOM 992 OE1 GLU A 64 3.762 12.251 1.623 1.00 0.00 O ATOM 993 OE2 GLU A 64 3.210 13.798 0.163 1.00 0.00 O ATOM 0 H GLU A 64 4.355 8.860 -0.271 1.00 0.00 H new ATOM 0 HA GLU A 64 1.845 8.825 -1.667 1.00 0.00 H new ATOM 0 HB2 GLU A 64 1.589 11.005 -0.812 1.00 0.00 H new ATOM 0 HB3 GLU A 64 2.498 10.161 0.427 1.00 0.00 H new ATOM 0 HG2 GLU A 64 4.614 11.128 -0.620 1.00 0.00 H new ATOM 0 HG3 GLU A 64 3.574 12.120 -1.623 1.00 0.00 H new ATOM 1000 N VAL A 65 2.334 9.714 -3.913 1.00 0.00 N ATOM 1001 CA VAL A 65 2.615 10.169 -5.270 1.00 0.00 C ATOM 1002 C VAL A 65 1.883 11.471 -5.575 1.00 0.00 C ATOM 1003 O VAL A 65 0.655 11.498 -5.664 1.00 0.00 O ATOM 1004 CB VAL A 65 2.211 9.109 -6.312 1.00 0.00 C ATOM 1005 CG1 VAL A 65 3.006 7.828 -6.106 1.00 0.00 C ATOM 1006 CG2 VAL A 65 0.717 8.836 -6.242 1.00 0.00 C ATOM 0 H VAL A 65 1.432 9.251 -3.802 1.00 0.00 H new ATOM 0 HA VAL A 65 3.690 10.337 -5.332 1.00 0.00 H new ATOM 0 HB VAL A 65 2.440 9.495 -7.305 1.00 0.00 H new ATOM 0 HG11 VAL A 65 2.707 7.091 -6.851 1.00 0.00 H new ATOM 0 HG12 VAL A 65 4.070 8.039 -6.211 1.00 0.00 H new ATOM 0 HG13 VAL A 65 2.811 7.435 -5.108 1.00 0.00 H new ATOM 0 HG21 VAL A 65 0.449 8.085 -6.985 1.00 0.00 H new ATOM 0 HG22 VAL A 65 0.460 8.471 -5.248 1.00 0.00 H new ATOM 0 HG23 VAL A 65 0.169 9.757 -6.443 1.00 0.00 H new ATOM 1016 N SER A 66 2.645 12.548 -5.736 1.00 0.00 N ATOM 1017 CA SER A 66 2.068 13.855 -6.028 1.00 0.00 C ATOM 1018 C SER A 66 2.837 14.549 -7.149 1.00 0.00 C ATOM 1019 O SER A 66 4.066 14.524 -7.181 1.00 0.00 O ATOM 1020 CB SER A 66 2.072 14.730 -4.774 1.00 0.00 C ATOM 1021 OG SER A 66 1.672 16.056 -5.075 1.00 0.00 O ATOM 0 H SER A 66 3.663 12.541 -5.669 1.00 0.00 H new ATOM 0 HA SER A 66 1.039 13.706 -6.354 1.00 0.00 H new ATOM 0 HB2 SER A 66 1.400 14.305 -4.028 1.00 0.00 H new ATOM 0 HB3 SER A 66 3.070 14.739 -4.336 1.00 0.00 H new ATOM 0 HG SER A 66 1.681 16.594 -4.256 1.00 0.00 H new ATOM 1027 N GLY A 67 2.101 15.168 -8.067 1.00 0.00 N ATOM 1028 CA GLY A 67 2.729 15.861 -9.177 1.00 0.00 C ATOM 1029 C GLY A 67 2.942 14.959 -10.377 1.00 0.00 C ATOM 1030 O GLY A 67 2.530 13.799 -10.390 1.00 0.00 O ATOM 0 H GLY A 67 1.082 15.202 -8.062 1.00 0.00 H new ATOM 0 HA2 GLY A 67 2.110 16.709 -9.469 1.00 0.00 H new ATOM 0 HA3 GLY A 67 3.689 16.264 -8.854 1.00 0.00 H new ATOM 1034 N PRO A 68 3.600 15.495 -11.416 1.00 0.00 N ATOM 1035 CA PRO A 68 3.881 14.749 -12.645 1.00 0.00 C ATOM 1036 C PRO A 68 4.915 13.649 -12.432 1.00 0.00 C ATOM 1037 O PRO A 68 6.120 13.896 -12.493 1.00 0.00 O ATOM 1038 CB PRO A 68 4.427 15.819 -13.594 1.00 0.00 C ATOM 1039 CG PRO A 68 4.989 16.868 -12.697 1.00 0.00 C ATOM 1040 CD PRO A 68 4.121 16.872 -11.469 1.00 0.00 C ATOM 0 HA PRO A 68 2.995 14.238 -13.022 1.00 0.00 H new ATOM 0 HB2 PRO A 68 5.192 15.410 -14.254 1.00 0.00 H new ATOM 0 HB3 PRO A 68 3.640 16.223 -14.231 1.00 0.00 H new ATOM 0 HG2 PRO A 68 6.026 16.648 -12.441 1.00 0.00 H new ATOM 0 HG3 PRO A 68 4.981 17.843 -13.184 1.00 0.00 H new ATOM 0 HD2 PRO A 68 4.692 17.121 -10.574 1.00 0.00 H new ATOM 0 HD3 PRO A 68 3.317 17.603 -11.548 1.00 0.00 H new ATOM 1048 N SER A 69 4.438 12.434 -12.183 1.00 0.00 N ATOM 1049 CA SER A 69 5.322 11.296 -11.958 1.00 0.00 C ATOM 1050 C SER A 69 6.064 10.923 -13.237 1.00 0.00 C ATOM 1051 O SER A 69 5.457 10.486 -14.215 1.00 0.00 O ATOM 1052 CB SER A 69 4.522 10.095 -11.450 1.00 0.00 C ATOM 1053 OG SER A 69 3.706 9.555 -12.475 1.00 0.00 O ATOM 0 H SER A 69 3.444 12.212 -12.132 1.00 0.00 H new ATOM 0 HA SER A 69 6.055 11.581 -11.204 1.00 0.00 H new ATOM 0 HB2 SER A 69 5.205 9.329 -11.083 1.00 0.00 H new ATOM 0 HB3 SER A 69 3.900 10.398 -10.608 1.00 0.00 H new ATOM 0 HG SER A 69 3.978 9.927 -13.340 1.00 0.00 H new ATOM 1059 N SER A 70 7.381 11.099 -13.222 1.00 0.00 N ATOM 1060 CA SER A 70 8.208 10.784 -14.382 1.00 0.00 C ATOM 1061 C SER A 70 9.483 10.060 -13.960 1.00 0.00 C ATOM 1062 O SER A 70 9.772 9.931 -12.772 1.00 0.00 O ATOM 1063 CB SER A 70 8.562 12.063 -15.144 1.00 0.00 C ATOM 1064 OG SER A 70 9.133 13.030 -14.279 1.00 0.00 O ATOM 0 H SER A 70 7.899 11.458 -12.420 1.00 0.00 H new ATOM 0 HA SER A 70 7.637 10.125 -15.037 1.00 0.00 H new ATOM 0 HB2 SER A 70 9.262 11.830 -15.947 1.00 0.00 H new ATOM 0 HB3 SER A 70 7.666 12.472 -15.611 1.00 0.00 H new ATOM 0 HG SER A 70 9.352 13.837 -14.790 1.00 0.00 H new ATOM 1070 N GLY A 71 10.241 9.589 -14.945 1.00 0.00 N ATOM 1071 CA GLY A 71 11.476 8.883 -14.658 1.00 0.00 C ATOM 1072 C GLY A 71 11.515 7.504 -15.285 1.00 0.00 C ATOM 1073 O GLY A 71 10.993 7.298 -16.381 1.00 0.00 O ATOM 0 H GLY A 71 10.022 9.684 -15.937 1.00 0.00 H new ATOM 0 HA2 GLY A 71 12.319 9.469 -15.024 1.00 0.00 H new ATOM 0 HA3 GLY A 71 11.596 8.791 -13.579 1.00 0.00 H new TER 1077 GLY A 71