USER MOD reduce.3.24.130724 H: found=0, std=0, add=522, rem=0, adj=12 USER MOD reduce.3.24.130724 removed 516 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 CYS N :NH3+ 161:sc= 0.383 (180deg=0.101) USER MOD Single : A 2 SER OG : rot 180:sc= 0 USER MOD Single : A 3 THR OG1 : rot -39:sc= 0.144 USER MOD Single : A 5 SER OG : rot 180:sc= 0.0263 USER MOD Single : A 20 THR OG1 : rot 180:sc= -0.605 USER MOD Single : A 28 TYR OH : rot 180:sc= 0 USER MOD Single : B 1 CYS N :NH3+ -147:sc= 1.5 (180deg=-0.357) USER MOD Single : B 2 SER OG : rot 180:sc= 0 USER MOD Single : B 3 THR OG1 : rot 180:sc= 0 USER MOD Single : B 5 SER OG : rot 180:sc= -0.441 USER MOD Single : B 20 THR OG1 : rot 180:sc= -2.66 USER MOD Single : B 28 TYR OH : rot 180:sc= 0 USER MOD ----------------------------------------------------------------- ATOM 1 N CYS A 1 33.252 12.731 23.187 1.00 0.00 N ATOM 2 CA CYS A 1 32.826 11.305 23.109 1.00 0.00 C ATOM 3 C CYS A 1 31.678 11.175 22.114 1.00 0.00 C ATOM 4 O CYS A 1 30.675 10.516 22.389 1.00 0.00 O ATOM 5 CB CYS A 1 32.375 10.835 24.493 1.00 0.00 C ATOM 6 SG CYS A 1 33.737 11.033 25.668 1.00 0.00 S ATOM 0 H1 CYS A 1 33.788 12.886 24.065 1.00 0.00 H new ATOM 0 H2 CYS A 1 33.853 12.959 22.369 1.00 0.00 H new ATOM 0 H3 CYS A 1 32.413 13.345 23.182 1.00 0.00 H new ATOM 0 HA CYS A 1 33.660 10.687 22.776 1.00 0.00 H new ATOM 0 HB2 CYS A 1 31.510 11.412 24.821 1.00 0.00 H new ATOM 0 HB3 CYS A 1 32.065 9.791 24.451 1.00 0.00 H new ATOM 10 N SER A 2 31.830 11.811 20.957 1.00 0.00 N ATOM 11 CA SER A 2 30.799 11.763 19.927 1.00 0.00 C ATOM 12 C SER A 2 30.827 10.422 19.200 1.00 0.00 C ATOM 13 O SER A 2 30.023 9.534 19.484 1.00 0.00 O ATOM 14 CB SER A 2 31.015 12.895 18.921 1.00 0.00 C ATOM 15 OG SER A 2 30.785 14.142 19.563 1.00 0.00 O ATOM 0 H SER A 2 32.652 12.362 20.710 1.00 0.00 H new ATOM 0 HA SER A 2 29.827 11.882 20.407 1.00 0.00 H new ATOM 0 HB2 SER A 2 32.030 12.858 18.526 1.00 0.00 H new ATOM 0 HB3 SER A 2 30.339 12.779 18.074 1.00 0.00 H new ATOM 0 HG SER A 2 30.924 14.870 18.922 1.00 0.00 H new ATOM 21 N THR A 3 31.754 10.285 18.258 1.00 0.00 N ATOM 22 CA THR A 3 31.876 9.049 17.493 1.00 0.00 C ATOM 23 C THR A 3 33.196 9.017 16.730 1.00 0.00 C ATOM 24 O THR A 3 33.738 7.947 16.450 1.00 0.00 O ATOM 25 CB THR A 3 30.711 8.928 16.507 1.00 0.00 C ATOM 26 OG1 THR A 3 29.486 9.131 17.197 1.00 0.00 O ATOM 27 CG2 THR A 3 30.719 7.536 15.872 1.00 0.00 C ATOM 0 H THR A 3 32.427 11.009 18.007 1.00 0.00 H new ATOM 0 HA THR A 3 31.852 8.210 18.189 1.00 0.00 H new ATOM 0 HB THR A 3 30.816 9.680 15.725 1.00 0.00 H new ATOM 0 HG1 THR A 3 29.531 8.702 18.077 1.00 0.00 H new ATOM 0 HG21 THR A 3 29.889 7.451 15.170 1.00 0.00 H new ATOM 0 HG22 THR A 3 31.659 7.383 15.342 1.00 0.00 H new ATOM 0 HG23 THR A 3 30.614 6.780 16.651 1.00 0.00 H new ATOM 35 N VAL A 4 33.709 10.197 16.397 1.00 0.00 N ATOM 36 CA VAL A 4 34.968 10.294 15.666 1.00 0.00 C ATOM 37 C VAL A 4 34.923 9.442 14.402 1.00 0.00 C ATOM 38 O VAL A 4 35.212 8.246 14.439 1.00 0.00 O ATOM 39 CB VAL A 4 36.123 9.831 16.554 1.00 0.00 C ATOM 40 CG1 VAL A 4 37.446 10.012 15.807 1.00 0.00 C ATOM 41 CG2 VAL A 4 36.146 10.665 17.837 1.00 0.00 C ATOM 0 H VAL A 4 33.276 11.094 16.620 1.00 0.00 H new ATOM 0 HA VAL A 4 35.122 11.335 15.382 1.00 0.00 H new ATOM 0 HB VAL A 4 35.988 8.779 16.805 1.00 0.00 H new ATOM 0 HG11 VAL A 4 38.269 9.682 16.440 1.00 0.00 H new ATOM 0 HG12 VAL A 4 37.431 9.419 14.892 1.00 0.00 H new ATOM 0 HG13 VAL A 4 37.581 11.064 15.556 1.00 0.00 H new ATOM 0 HG21 VAL A 4 36.969 10.335 18.471 1.00 0.00 H new ATOM 0 HG22 VAL A 4 36.281 11.717 17.585 1.00 0.00 H new ATOM 0 HG23 VAL A 4 35.204 10.538 18.371 1.00 0.00 H new ATOM 51 N SER A 5 34.561 10.064 13.284 1.00 0.00 N ATOM 52 CA SER A 5 34.484 9.349 12.015 1.00 0.00 C ATOM 53 C SER A 5 35.892 9.153 11.428 1.00 0.00 C ATOM 54 O SER A 5 36.686 10.094 11.421 1.00 0.00 O ATOM 55 CB SER A 5 33.629 10.140 11.024 1.00 0.00 C ATOM 56 OG SER A 5 34.044 11.499 11.028 1.00 0.00 O ATOM 0 H SER A 5 34.318 11.053 13.231 1.00 0.00 H new ATOM 0 HA SER A 5 34.031 8.374 12.192 1.00 0.00 H new ATOM 0 HB2 SER A 5 33.729 9.720 10.023 1.00 0.00 H new ATOM 0 HB3 SER A 5 32.576 10.068 11.296 1.00 0.00 H new ATOM 0 HG SER A 5 33.499 12.009 10.393 1.00 0.00 H new ATOM 62 N PRO A 6 36.227 7.978 10.934 1.00 0.00 N ATOM 63 CA PRO A 6 37.577 7.722 10.345 1.00 0.00 C ATOM 64 C PRO A 6 37.703 8.266 8.921 1.00 0.00 C ATOM 65 O PRO A 6 37.669 7.502 7.956 1.00 0.00 O ATOM 66 CB PRO A 6 37.670 6.193 10.353 1.00 0.00 C ATOM 67 CG PRO A 6 36.263 5.738 10.151 1.00 0.00 C ATOM 68 CD PRO A 6 35.383 6.764 10.876 1.00 0.00 C ATOM 0 HA PRO A 6 38.373 8.216 10.902 1.00 0.00 H new ATOM 0 HB2 PRO A 6 38.323 5.830 9.560 1.00 0.00 H new ATOM 0 HB3 PRO A 6 38.076 5.824 11.295 1.00 0.00 H new ATOM 0 HG2 PRO A 6 36.016 5.691 9.090 1.00 0.00 H new ATOM 0 HG3 PRO A 6 36.113 4.738 10.558 1.00 0.00 H new ATOM 0 HD2 PRO A 6 34.455 6.948 10.335 1.00 0.00 H new ATOM 0 HD3 PRO A 6 35.108 6.421 11.873 1.00 0.00 H new ATOM 76 N GLY A 7 37.853 9.580 8.790 1.00 0.00 N ATOM 77 CA GLY A 7 37.986 10.181 7.467 1.00 0.00 C ATOM 78 C GLY A 7 39.355 9.876 6.873 1.00 0.00 C ATOM 79 O GLY A 7 39.461 9.171 5.866 1.00 0.00 O ATOM 0 H GLY A 7 37.885 10.239 9.568 1.00 0.00 H new ATOM 0 HA2 GLY A 7 37.205 9.800 6.809 1.00 0.00 H new ATOM 0 HA3 GLY A 7 37.846 11.260 7.536 1.00 0.00 H new ATOM 83 N VAL A 8 40.405 10.392 7.504 1.00 0.00 N ATOM 84 CA VAL A 8 41.756 10.141 7.018 1.00 0.00 C ATOM 85 C VAL A 8 42.082 8.654 7.150 1.00 0.00 C ATOM 86 O VAL A 8 42.693 8.066 6.259 1.00 0.00 O ATOM 87 CB VAL A 8 42.769 10.997 7.790 1.00 0.00 C ATOM 88 CG1 VAL A 8 42.701 10.685 9.292 1.00 0.00 C ATOM 89 CG2 VAL A 8 44.181 10.708 7.263 1.00 0.00 C ATOM 0 H VAL A 8 40.349 10.976 8.338 1.00 0.00 H new ATOM 0 HA VAL A 8 41.817 10.418 5.966 1.00 0.00 H new ATOM 0 HB VAL A 8 42.530 12.050 7.644 1.00 0.00 H new ATOM 0 HG11 VAL A 8 43.426 11.301 9.825 1.00 0.00 H new ATOM 0 HG12 VAL A 8 41.699 10.901 9.663 1.00 0.00 H new ATOM 0 HG13 VAL A 8 42.930 9.632 9.456 1.00 0.00 H new ATOM 0 HG21 VAL A 8 44.904 11.314 7.809 1.00 0.00 H new ATOM 0 HG22 VAL A 8 44.413 9.652 7.404 1.00 0.00 H new ATOM 0 HG23 VAL A 8 44.230 10.952 6.202 1.00 0.00 H new ATOM 99 N LEU A 9 41.638 8.040 8.248 1.00 0.00 N ATOM 100 CA LEU A 9 41.858 6.612 8.466 1.00 0.00 C ATOM 101 C LEU A 9 41.252 5.822 7.293 1.00 0.00 C ATOM 102 O LEU A 9 41.888 4.922 6.728 1.00 0.00 O ATOM 103 CB LEU A 9 41.184 6.191 9.793 1.00 0.00 C ATOM 104 CG LEU A 9 42.170 6.250 10.978 1.00 0.00 C ATOM 105 CD1 LEU A 9 43.269 5.165 10.840 1.00 0.00 C ATOM 106 CD2 LEU A 9 42.806 7.645 11.052 1.00 0.00 C ATOM 0 H LEU A 9 41.126 8.508 8.996 1.00 0.00 H new ATOM 0 HA LEU A 9 42.926 6.403 8.524 1.00 0.00 H new ATOM 0 HB2 LEU A 9 40.335 6.845 9.993 1.00 0.00 H new ATOM 0 HB3 LEU A 9 40.791 5.179 9.697 1.00 0.00 H new ATOM 0 HG LEU A 9 41.619 6.056 11.898 1.00 0.00 H new ATOM 0 HD11 LEU A 9 43.951 5.228 11.688 1.00 0.00 H new ATOM 0 HD12 LEU A 9 42.806 4.179 10.819 1.00 0.00 H new ATOM 0 HD13 LEU A 9 43.824 5.325 9.915 1.00 0.00 H new ATOM 0 HD21 LEU A 9 43.502 7.684 11.890 1.00 0.00 H new ATOM 0 HD22 LEU A 9 43.342 7.850 10.125 1.00 0.00 H new ATOM 0 HD23 LEU A 9 42.026 8.393 11.193 1.00 0.00 H new ATOM 118 N ALA A 10 40.023 6.180 6.921 1.00 0.00 N ATOM 119 CA ALA A 10 39.349 5.516 5.811 1.00 0.00 C ATOM 120 C ALA A 10 40.188 5.665 4.545 1.00 0.00 C ATOM 121 O ALA A 10 40.348 4.734 3.751 1.00 0.00 O ATOM 122 CB ALA A 10 37.971 6.142 5.589 1.00 0.00 C ATOM 0 H ALA A 10 39.480 6.919 7.368 1.00 0.00 H new ATOM 0 HA ALA A 10 39.227 4.459 6.046 1.00 0.00 H new ATOM 0 HB1 ALA A 10 37.473 5.641 4.759 1.00 0.00 H new ATOM 0 HB2 ALA A 10 37.371 6.030 6.492 1.00 0.00 H new ATOM 0 HB3 ALA A 10 38.085 7.201 5.358 1.00 0.00 H new ATOM 128 N GLY A 11 40.737 6.853 4.377 1.00 0.00 N ATOM 129 CA GLY A 11 41.569 7.137 3.216 1.00 0.00 C ATOM 130 C GLY A 11 42.756 6.187 3.174 1.00 0.00 C ATOM 131 O GLY A 11 43.165 5.718 2.105 1.00 0.00 O ATOM 0 H GLY A 11 40.625 7.634 5.023 1.00 0.00 H new ATOM 0 HA2 GLY A 11 40.980 7.035 2.304 1.00 0.00 H new ATOM 0 HA3 GLY A 11 41.921 8.168 3.255 1.00 0.00 H new ATOM 135 N ILE A 12 43.309 5.904 4.344 1.00 0.00 N ATOM 136 CA ILE A 12 44.448 5.012 4.424 1.00 0.00 C ATOM 137 C ILE A 12 44.066 3.610 3.965 1.00 0.00 C ATOM 138 O ILE A 12 44.826 2.984 3.234 1.00 0.00 O ATOM 139 CB ILE A 12 45.009 4.968 5.852 1.00 0.00 C ATOM 140 CG1 ILE A 12 45.587 6.348 6.239 1.00 0.00 C ATOM 141 CG2 ILE A 12 46.107 3.893 5.950 1.00 0.00 C ATOM 142 CD1 ILE A 12 46.697 6.791 5.270 1.00 0.00 C ATOM 0 H ILE A 12 42.990 6.275 5.239 1.00 0.00 H new ATOM 0 HA ILE A 12 45.223 5.397 3.761 1.00 0.00 H new ATOM 0 HB ILE A 12 44.202 4.718 6.541 1.00 0.00 H new ATOM 0 HG12 ILE A 12 44.788 7.090 6.241 1.00 0.00 H new ATOM 0 HG13 ILE A 12 45.985 6.305 7.253 1.00 0.00 H new ATOM 0 HG21 ILE A 12 46.501 3.867 6.966 1.00 0.00 H new ATOM 0 HG22 ILE A 12 45.686 2.919 5.699 1.00 0.00 H new ATOM 0 HG23 ILE A 12 46.912 4.131 5.255 1.00 0.00 H new ATOM 0 HD11 ILE A 12 47.078 7.766 5.575 1.00 0.00 H new ATOM 0 HD12 ILE A 12 47.507 6.062 5.288 1.00 0.00 H new ATOM 0 HD13 ILE A 12 46.292 6.859 4.260 1.00 0.00 H new ATOM 154 N VAL A 13 42.899 3.104 4.373 1.00 0.00 N ATOM 155 CA VAL A 13 42.519 1.758 3.930 1.00 0.00 C ATOM 156 C VAL A 13 42.517 1.723 2.409 1.00 0.00 C ATOM 157 O VAL A 13 43.015 0.777 1.802 1.00 0.00 O ATOM 158 CB VAL A 13 41.152 1.283 4.499 1.00 0.00 C ATOM 159 CG1 VAL A 13 40.887 1.952 5.839 1.00 0.00 C ATOM 160 CG2 VAL A 13 39.986 1.592 3.541 1.00 0.00 C ATOM 0 H VAL A 13 42.229 3.577 4.979 1.00 0.00 H new ATOM 0 HA VAL A 13 43.257 1.059 4.324 1.00 0.00 H new ATOM 0 HB VAL A 13 41.212 0.202 4.621 1.00 0.00 H new ATOM 0 HG11 VAL A 13 39.928 1.614 6.231 1.00 0.00 H new ATOM 0 HG12 VAL A 13 41.679 1.688 6.540 1.00 0.00 H new ATOM 0 HG13 VAL A 13 40.864 3.034 5.707 1.00 0.00 H new ATOM 0 HG21 VAL A 13 39.052 1.242 3.980 1.00 0.00 H new ATOM 0 HG22 VAL A 13 39.928 2.667 3.373 1.00 0.00 H new ATOM 0 HG23 VAL A 13 40.152 1.085 2.590 1.00 0.00 H new ATOM 170 N VAL A 14 41.980 2.770 1.790 1.00 0.00 N ATOM 171 CA VAL A 14 41.969 2.814 0.335 1.00 0.00 C ATOM 172 C VAL A 14 43.395 2.619 -0.173 1.00 0.00 C ATOM 173 O VAL A 14 43.646 1.841 -1.096 1.00 0.00 O ATOM 174 CB VAL A 14 41.416 4.152 -0.159 1.00 0.00 C ATOM 175 CG1 VAL A 14 41.372 4.155 -1.688 1.00 0.00 C ATOM 176 CG2 VAL A 14 40.002 4.354 0.390 1.00 0.00 C ATOM 0 H VAL A 14 41.560 3.574 2.256 1.00 0.00 H new ATOM 0 HA VAL A 14 41.326 2.020 -0.046 1.00 0.00 H new ATOM 0 HB VAL A 14 42.061 4.960 0.188 1.00 0.00 H new ATOM 0 HG11 VAL A 14 40.978 5.109 -2.039 1.00 0.00 H new ATOM 0 HG12 VAL A 14 42.378 4.012 -2.081 1.00 0.00 H new ATOM 0 HG13 VAL A 14 40.728 3.347 -2.035 1.00 0.00 H new ATOM 0 HG21 VAL A 14 39.608 5.307 0.038 1.00 0.00 H new ATOM 0 HG22 VAL A 14 39.358 3.545 0.044 1.00 0.00 H new ATOM 0 HG23 VAL A 14 40.031 4.353 1.480 1.00 0.00 H new ATOM 186 N GLY A 15 44.331 3.323 0.460 1.00 0.00 N ATOM 187 CA GLY A 15 45.738 3.221 0.087 1.00 0.00 C ATOM 188 C GLY A 15 46.281 1.809 0.333 1.00 0.00 C ATOM 189 O GLY A 15 47.150 1.336 -0.398 1.00 0.00 O ATOM 0 H GLY A 15 44.141 3.966 1.229 1.00 0.00 H new ATOM 0 HA2 GLY A 15 45.857 3.480 -0.965 1.00 0.00 H new ATOM 0 HA3 GLY A 15 46.321 3.942 0.660 1.00 0.00 H new ATOM 193 N ASP A 16 45.771 1.149 1.371 1.00 0.00 N ATOM 194 CA ASP A 16 46.221 -0.201 1.711 1.00 0.00 C ATOM 195 C ASP A 16 45.919 -1.172 0.575 1.00 0.00 C ATOM 196 O ASP A 16 46.804 -1.889 0.107 1.00 0.00 O ATOM 197 CB ASP A 16 45.532 -0.677 2.994 1.00 0.00 C ATOM 198 CG ASP A 16 46.048 -2.057 3.389 1.00 0.00 C ATOM 199 OD1 ASP A 16 46.135 -2.909 2.520 1.00 0.00 O ATOM 200 OD2 ASP A 16 46.345 -2.244 4.558 1.00 0.00 O ATOM 0 H ASP A 16 45.050 1.523 1.988 1.00 0.00 H new ATOM 0 HA ASP A 16 47.299 -0.173 1.869 1.00 0.00 H new ATOM 0 HB2 ASP A 16 45.718 0.033 3.800 1.00 0.00 H new ATOM 0 HB3 ASP A 16 44.453 -0.714 2.844 1.00 0.00 H new ATOM 205 N LEU A 17 44.668 -1.183 0.128 1.00 0.00 N ATOM 206 CA LEU A 17 44.276 -2.067 -0.961 1.00 0.00 C ATOM 207 C LEU A 17 45.082 -1.723 -2.208 1.00 0.00 C ATOM 208 O LEU A 17 45.481 -2.606 -2.967 1.00 0.00 O ATOM 209 CB LEU A 17 42.770 -1.920 -1.248 1.00 0.00 C ATOM 210 CG LEU A 17 41.963 -2.797 -0.283 1.00 0.00 C ATOM 211 CD1 LEU A 17 42.277 -2.401 1.160 1.00 0.00 C ATOM 212 CD2 LEU A 17 40.470 -2.599 -0.548 1.00 0.00 C ATOM 0 H LEU A 17 43.918 -0.598 0.497 1.00 0.00 H new ATOM 0 HA LEU A 17 44.476 -3.100 -0.675 1.00 0.00 H new ATOM 0 HB2 LEU A 17 42.471 -0.877 -1.141 1.00 0.00 H new ATOM 0 HB3 LEU A 17 42.558 -2.208 -2.278 1.00 0.00 H new ATOM 0 HG LEU A 17 42.229 -3.843 -0.437 1.00 0.00 H new ATOM 0 HD11 LEU A 17 41.702 -3.027 1.842 1.00 0.00 H new ATOM 0 HD12 LEU A 17 43.341 -2.539 1.352 1.00 0.00 H new ATOM 0 HD13 LEU A 17 42.012 -1.355 1.316 1.00 0.00 H new ATOM 0 HD21 LEU A 17 39.893 -3.221 0.136 1.00 0.00 H new ATOM 0 HD22 LEU A 17 40.209 -1.552 -0.394 1.00 0.00 H new ATOM 0 HD23 LEU A 17 40.242 -2.883 -1.576 1.00 0.00 H new ATOM 224 N VAL A 18 45.318 -0.432 -2.409 1.00 0.00 N ATOM 225 CA VAL A 18 46.079 0.022 -3.565 1.00 0.00 C ATOM 226 C VAL A 18 47.523 -0.486 -3.510 1.00 0.00 C ATOM 227 O VAL A 18 48.124 -0.748 -4.546 1.00 0.00 O ATOM 228 CB VAL A 18 46.064 1.554 -3.627 1.00 0.00 C ATOM 229 CG1 VAL A 18 47.035 2.045 -4.708 1.00 0.00 C ATOM 230 CG2 VAL A 18 44.648 2.037 -3.966 1.00 0.00 C ATOM 0 H VAL A 18 44.996 0.313 -1.792 1.00 0.00 H new ATOM 0 HA VAL A 18 45.612 -0.383 -4.463 1.00 0.00 H new ATOM 0 HB VAL A 18 46.370 1.952 -2.660 1.00 0.00 H new ATOM 0 HG11 VAL A 18 47.018 3.134 -4.745 1.00 0.00 H new ATOM 0 HG12 VAL A 18 48.044 1.706 -4.472 1.00 0.00 H new ATOM 0 HG13 VAL A 18 46.735 1.644 -5.676 1.00 0.00 H new ATOM 0 HG21 VAL A 18 44.636 3.126 -4.010 1.00 0.00 H new ATOM 0 HG22 VAL A 18 44.347 1.631 -4.932 1.00 0.00 H new ATOM 0 HG23 VAL A 18 43.954 1.698 -3.197 1.00 0.00 H new ATOM 240 N LEU A 19 48.081 -0.614 -2.306 1.00 0.00 N ATOM 241 CA LEU A 19 49.461 -1.081 -2.168 1.00 0.00 C ATOM 242 C LEU A 19 49.568 -2.576 -2.451 1.00 0.00 C ATOM 243 O LEU A 19 50.456 -3.014 -3.181 1.00 0.00 O ATOM 244 CB LEU A 19 49.969 -0.786 -0.752 1.00 0.00 C ATOM 245 CG LEU A 19 50.204 0.728 -0.577 1.00 0.00 C ATOM 246 CD1 LEU A 19 50.177 1.083 0.912 1.00 0.00 C ATOM 247 CD2 LEU A 19 51.567 1.136 -1.164 1.00 0.00 C ATOM 0 H LEU A 19 47.609 -0.405 -1.426 1.00 0.00 H new ATOM 0 HA LEU A 19 50.074 -0.551 -2.897 1.00 0.00 H new ATOM 0 HB2 LEU A 19 49.244 -1.137 -0.017 1.00 0.00 H new ATOM 0 HB3 LEU A 19 50.896 -1.329 -0.570 1.00 0.00 H new ATOM 0 HG LEU A 19 49.414 1.263 -1.104 1.00 0.00 H new ATOM 0 HD11 LEU A 19 50.343 2.153 1.034 1.00 0.00 H new ATOM 0 HD12 LEU A 19 49.207 0.816 1.332 1.00 0.00 H new ATOM 0 HD13 LEU A 19 50.961 0.533 1.432 1.00 0.00 H new ATOM 0 HD21 LEU A 19 51.714 2.208 -1.031 1.00 0.00 H new ATOM 0 HD22 LEU A 19 52.361 0.594 -0.651 1.00 0.00 H new ATOM 0 HD23 LEU A 19 51.592 0.896 -2.227 1.00 0.00 H new ATOM 259 N THR A 20 48.670 -3.357 -1.868 1.00 0.00 N ATOM 260 CA THR A 20 48.696 -4.801 -2.069 1.00 0.00 C ATOM 261 C THR A 20 48.526 -5.153 -3.545 1.00 0.00 C ATOM 262 O THR A 20 49.283 -5.955 -4.093 1.00 0.00 O ATOM 263 CB THR A 20 47.577 -5.459 -1.257 1.00 0.00 C ATOM 264 OG1 THR A 20 47.627 -4.991 0.084 1.00 0.00 O ATOM 265 CG2 THR A 20 47.754 -6.978 -1.277 1.00 0.00 C ATOM 0 H THR A 20 47.923 -3.022 -1.259 1.00 0.00 H new ATOM 0 HA THR A 20 49.664 -5.173 -1.733 1.00 0.00 H new ATOM 0 HB THR A 20 46.612 -5.203 -1.695 1.00 0.00 H new ATOM 0 HG1 THR A 20 46.910 -5.410 0.604 1.00 0.00 H new ATOM 0 HG21 THR A 20 46.957 -7.445 -0.699 1.00 0.00 H new ATOM 0 HG22 THR A 20 47.713 -7.336 -2.306 1.00 0.00 H new ATOM 0 HG23 THR A 20 48.719 -7.238 -0.841 1.00 0.00 H new ATOM 273 N VAL A 21 47.519 -4.562 -4.177 1.00 0.00 N ATOM 274 CA VAL A 21 47.241 -4.835 -5.584 1.00 0.00 C ATOM 275 C VAL A 21 48.283 -4.215 -6.512 1.00 0.00 C ATOM 276 O VAL A 21 48.625 -4.798 -7.538 1.00 0.00 O ATOM 277 CB VAL A 21 45.856 -4.300 -5.951 1.00 0.00 C ATOM 278 CG1 VAL A 21 45.560 -4.604 -7.421 1.00 0.00 C ATOM 279 CG2 VAL A 21 44.797 -4.969 -5.071 1.00 0.00 C ATOM 0 H VAL A 21 46.884 -3.894 -3.741 1.00 0.00 H new ATOM 0 HA VAL A 21 47.279 -5.916 -5.717 1.00 0.00 H new ATOM 0 HB VAL A 21 45.834 -3.222 -5.791 1.00 0.00 H new ATOM 0 HG11 VAL A 21 44.573 -4.222 -7.680 1.00 0.00 H new ATOM 0 HG12 VAL A 21 46.311 -4.125 -8.050 1.00 0.00 H new ATOM 0 HG13 VAL A 21 45.586 -5.682 -7.582 1.00 0.00 H new ATOM 0 HG21 VAL A 21 43.811 -4.586 -5.334 1.00 0.00 H new ATOM 0 HG22 VAL A 21 44.822 -6.047 -5.228 1.00 0.00 H new ATOM 0 HG23 VAL A 21 45.003 -4.750 -4.023 1.00 0.00 H new ATOM 289 N LEU A 22 48.764 -3.023 -6.175 1.00 0.00 N ATOM 290 CA LEU A 22 49.742 -2.348 -7.025 1.00 0.00 C ATOM 291 C LEU A 22 51.040 -3.145 -7.122 1.00 0.00 C ATOM 292 O LEU A 22 51.495 -3.464 -8.222 1.00 0.00 O ATOM 293 CB LEU A 22 50.027 -0.941 -6.478 1.00 0.00 C ATOM 294 CG LEU A 22 51.189 -0.283 -7.240 1.00 0.00 C ATOM 295 CD1 LEU A 22 50.919 -0.331 -8.749 1.00 0.00 C ATOM 296 CD2 LEU A 22 51.314 1.177 -6.792 1.00 0.00 C ATOM 0 H LEU A 22 48.499 -2.510 -5.334 1.00 0.00 H new ATOM 0 HA LEU A 22 49.322 -2.270 -8.028 1.00 0.00 H new ATOM 0 HB2 LEU A 22 49.133 -0.324 -6.566 1.00 0.00 H new ATOM 0 HB3 LEU A 22 50.270 -1.001 -5.417 1.00 0.00 H new ATOM 0 HG LEU A 22 52.114 -0.820 -7.027 1.00 0.00 H new ATOM 0 HD11 LEU A 22 51.747 0.137 -9.282 1.00 0.00 H new ATOM 0 HD12 LEU A 22 50.822 -1.369 -9.068 1.00 0.00 H new ATOM 0 HD13 LEU A 22 49.996 0.204 -8.971 1.00 0.00 H new ATOM 0 HD21 LEU A 22 52.136 1.653 -7.327 1.00 0.00 H new ATOM 0 HD22 LEU A 22 50.386 1.705 -7.009 1.00 0.00 H new ATOM 0 HD23 LEU A 22 51.510 1.213 -5.720 1.00 0.00 H new ATOM 308 N ILE A 23 51.642 -3.463 -5.982 1.00 0.00 N ATOM 309 CA ILE A 23 52.883 -4.210 -6.002 1.00 0.00 C ATOM 310 C ILE A 23 52.622 -5.626 -6.503 1.00 0.00 C ATOM 311 O ILE A 23 53.362 -6.142 -7.336 1.00 0.00 O ATOM 312 CB ILE A 23 53.519 -4.273 -4.606 1.00 0.00 C ATOM 313 CG1 ILE A 23 53.482 -2.888 -3.909 1.00 0.00 C ATOM 314 CG2 ILE A 23 54.969 -4.766 -4.747 1.00 0.00 C ATOM 315 CD1 ILE A 23 54.588 -1.961 -4.423 1.00 0.00 C ATOM 0 H ILE A 23 51.297 -3.220 -5.054 1.00 0.00 H new ATOM 0 HA ILE A 23 53.574 -3.698 -6.672 1.00 0.00 H new ATOM 0 HB ILE A 23 52.950 -4.964 -3.984 1.00 0.00 H new ATOM 0 HG12 ILE A 23 52.511 -2.423 -4.077 1.00 0.00 H new ATOM 0 HG13 ILE A 23 53.590 -3.020 -2.832 1.00 0.00 H new ATOM 0 HG21 ILE A 23 55.434 -4.816 -3.762 1.00 0.00 H new ATOM 0 HG22 ILE A 23 54.974 -5.757 -5.201 1.00 0.00 H new ATOM 0 HG23 ILE A 23 55.528 -4.075 -5.378 1.00 0.00 H new ATOM 0 HD11 ILE A 23 54.527 -1.002 -3.909 1.00 0.00 H new ATOM 0 HD12 ILE A 23 55.561 -2.414 -4.231 1.00 0.00 H new ATOM 0 HD13 ILE A 23 54.465 -1.807 -5.495 1.00 0.00 H new ATOM 327 N ALA A 24 51.557 -6.248 -5.998 1.00 0.00 N ATOM 328 CA ALA A 24 51.219 -7.605 -6.412 1.00 0.00 C ATOM 329 C ALA A 24 51.122 -7.687 -7.929 1.00 0.00 C ATOM 330 O ALA A 24 51.601 -8.643 -8.540 1.00 0.00 O ATOM 331 CB ALA A 24 49.887 -8.027 -5.792 1.00 0.00 C ATOM 0 H ALA A 24 50.923 -5.839 -5.312 1.00 0.00 H new ATOM 0 HA ALA A 24 52.006 -8.277 -6.069 1.00 0.00 H new ATOM 0 HB1 ALA A 24 49.644 -9.042 -6.108 1.00 0.00 H new ATOM 0 HB2 ALA A 24 49.965 -7.994 -4.705 1.00 0.00 H new ATOM 0 HB3 ALA A 24 49.101 -7.347 -6.120 1.00 0.00 H new ATOM 337 N LEU A 25 50.504 -6.678 -8.530 1.00 0.00 N ATOM 338 CA LEU A 25 50.355 -6.645 -9.976 1.00 0.00 C ATOM 339 C LEU A 25 51.719 -6.482 -10.636 1.00 0.00 C ATOM 340 O LEU A 25 51.990 -7.077 -11.677 1.00 0.00 O ATOM 341 CB LEU A 25 49.431 -5.487 -10.377 1.00 0.00 C ATOM 342 CG LEU A 25 49.329 -5.378 -11.908 1.00 0.00 C ATOM 343 CD1 LEU A 25 48.868 -6.716 -12.509 1.00 0.00 C ATOM 344 CD2 LEU A 25 48.317 -4.282 -12.261 1.00 0.00 C ATOM 0 H LEU A 25 50.101 -5.878 -8.042 1.00 0.00 H new ATOM 0 HA LEU A 25 49.913 -7.583 -10.312 1.00 0.00 H new ATOM 0 HB2 LEU A 25 48.440 -5.642 -9.952 1.00 0.00 H new ATOM 0 HB3 LEU A 25 49.812 -4.552 -9.965 1.00 0.00 H new ATOM 0 HG LEU A 25 50.308 -5.130 -12.318 1.00 0.00 H new ATOM 0 HD11 LEU A 25 48.800 -6.624 -13.593 1.00 0.00 H new ATOM 0 HD12 LEU A 25 49.586 -7.496 -12.255 1.00 0.00 H new ATOM 0 HD13 LEU A 25 47.890 -6.978 -12.105 1.00 0.00 H new ATOM 0 HD21 LEU A 25 48.237 -4.196 -13.345 1.00 0.00 H new ATOM 0 HD22 LEU A 25 47.343 -4.538 -11.844 1.00 0.00 H new ATOM 0 HD23 LEU A 25 48.651 -3.331 -11.845 1.00 0.00 H new ATOM 356 N ALA A 26 52.573 -5.671 -10.020 1.00 0.00 N ATOM 357 CA ALA A 26 53.907 -5.436 -10.557 1.00 0.00 C ATOM 358 C ALA A 26 54.710 -6.735 -10.634 1.00 0.00 C ATOM 359 O ALA A 26 55.284 -7.050 -11.675 1.00 0.00 O ATOM 360 CB ALA A 26 54.652 -4.423 -9.684 1.00 0.00 C ATOM 0 H ALA A 26 52.367 -5.170 -9.156 1.00 0.00 H new ATOM 0 HA ALA A 26 53.798 -5.039 -11.566 1.00 0.00 H new ATOM 0 HB1 ALA A 26 55.648 -4.253 -10.093 1.00 0.00 H new ATOM 0 HB2 ALA A 26 54.101 -3.482 -9.668 1.00 0.00 H new ATOM 0 HB3 ALA A 26 54.738 -4.811 -8.669 1.00 0.00 H new ATOM 366 N VAL A 27 54.762 -7.481 -9.529 1.00 0.00 N ATOM 367 CA VAL A 27 55.519 -8.732 -9.510 1.00 0.00 C ATOM 368 C VAL A 27 54.865 -9.795 -10.389 1.00 0.00 C ATOM 369 O VAL A 27 55.541 -10.482 -11.153 1.00 0.00 O ATOM 370 CB VAL A 27 55.632 -9.268 -8.073 1.00 0.00 C ATOM 371 CG1 VAL A 27 56.775 -10.288 -8.001 1.00 0.00 C ATOM 372 CG2 VAL A 27 55.899 -8.107 -7.095 1.00 0.00 C ATOM 0 H VAL A 27 54.298 -7.246 -8.651 1.00 0.00 H new ATOM 0 HA VAL A 27 56.512 -8.516 -9.903 1.00 0.00 H new ATOM 0 HB VAL A 27 54.696 -9.752 -7.793 1.00 0.00 H new ATOM 0 HG11 VAL A 27 56.858 -10.670 -6.984 1.00 0.00 H new ATOM 0 HG12 VAL A 27 56.570 -11.113 -8.683 1.00 0.00 H new ATOM 0 HG13 VAL A 27 57.711 -9.807 -8.285 1.00 0.00 H new ATOM 0 HG21 VAL A 27 55.977 -8.497 -6.080 1.00 0.00 H new ATOM 0 HG22 VAL A 27 56.831 -7.610 -7.366 1.00 0.00 H new ATOM 0 HG23 VAL A 27 55.078 -7.392 -7.146 1.00 0.00 H new ATOM 382 N TYR A 28 53.551 -9.938 -10.259 1.00 0.00 N ATOM 383 CA TYR A 28 52.824 -10.940 -11.030 1.00 0.00 C ATOM 384 C TYR A 28 53.013 -10.734 -12.530 1.00 0.00 C ATOM 385 O TYR A 28 53.294 -11.684 -13.260 1.00 0.00 O ATOM 386 CB TYR A 28 51.333 -10.876 -10.693 1.00 0.00 C ATOM 387 CG TYR A 28 50.616 -12.015 -11.379 1.00 0.00 C ATOM 388 CD1 TYR A 28 50.608 -13.288 -10.799 1.00 0.00 C ATOM 389 CD2 TYR A 28 49.959 -11.796 -12.596 1.00 0.00 C ATOM 390 CE1 TYR A 28 49.943 -14.345 -11.434 1.00 0.00 C ATOM 391 CE2 TYR A 28 49.295 -12.853 -13.233 1.00 0.00 C ATOM 392 CZ TYR A 28 49.288 -14.127 -12.652 1.00 0.00 C ATOM 393 OH TYR A 28 48.634 -15.168 -13.279 1.00 0.00 O ATOM 0 H TYR A 28 52.972 -9.379 -9.633 1.00 0.00 H new ATOM 0 HA TYR A 28 53.223 -11.919 -10.765 1.00 0.00 H new ATOM 0 HB2 TYR A 28 51.189 -10.938 -9.614 1.00 0.00 H new ATOM 0 HB3 TYR A 28 50.916 -9.922 -11.016 1.00 0.00 H new ATOM 0 HD1 TYR A 28 51.115 -13.456 -9.860 1.00 0.00 H new ATOM 0 HD2 TYR A 28 49.964 -10.813 -13.043 1.00 0.00 H new ATOM 0 HE1 TYR A 28 49.936 -15.327 -10.984 1.00 0.00 H new ATOM 0 HE2 TYR A 28 48.789 -12.685 -14.172 1.00 0.00 H new ATOM 0 HH TYR A 28 48.232 -14.847 -14.113 1.00 0.00 H new ATOM 403 N PHE A 29 52.847 -9.499 -12.989 1.00 0.00 N ATOM 404 CA PHE A 29 52.992 -9.208 -14.411 1.00 0.00 C ATOM 405 C PHE A 29 54.447 -9.335 -14.856 1.00 0.00 C ATOM 406 O PHE A 29 54.754 -10.108 -15.762 1.00 0.00 O ATOM 407 CB PHE A 29 52.492 -7.793 -14.712 1.00 0.00 C ATOM 408 CG PHE A 29 52.443 -7.591 -16.207 1.00 0.00 C ATOM 409 CD1 PHE A 29 51.347 -8.062 -16.941 1.00 0.00 C ATOM 410 CD2 PHE A 29 53.494 -6.936 -16.862 1.00 0.00 C ATOM 411 CE1 PHE A 29 51.302 -7.877 -18.328 1.00 0.00 C ATOM 412 CE2 PHE A 29 53.449 -6.752 -18.249 1.00 0.00 C ATOM 413 CZ PHE A 29 52.352 -7.222 -18.983 1.00 0.00 C ATOM 0 H PHE A 29 52.615 -8.694 -12.408 1.00 0.00 H new ATOM 0 HA PHE A 29 52.395 -9.935 -14.962 1.00 0.00 H new ATOM 0 HB2 PHE A 29 51.502 -7.645 -14.280 1.00 0.00 H new ATOM 0 HB3 PHE A 29 53.153 -7.056 -14.255 1.00 0.00 H new ATOM 0 HD1 PHE A 29 50.537 -8.568 -16.437 1.00 0.00 H new ATOM 0 HD2 PHE A 29 54.339 -6.573 -16.297 1.00 0.00 H new ATOM 0 HE1 PHE A 29 50.456 -8.240 -18.893 1.00 0.00 H new ATOM 0 HE2 PHE A 29 54.260 -6.248 -18.753 1.00 0.00 H new ATOM 0 HZ PHE A 29 52.316 -7.079 -20.053 1.00 0.00 H new ATOM 423 N LEU A 30 55.335 -8.580 -14.209 1.00 0.00 N ATOM 424 CA LEU A 30 56.758 -8.614 -14.546 1.00 0.00 C ATOM 425 C LEU A 30 57.539 -7.693 -13.614 1.00 0.00 C ATOM 426 O LEU A 30 57.873 -6.566 -13.979 1.00 0.00 O ATOM 427 CB LEU A 30 56.971 -8.161 -16.000 1.00 0.00 C ATOM 428 CG LEU A 30 58.457 -8.257 -16.385 1.00 0.00 C ATOM 429 CD1 LEU A 30 58.940 -9.715 -16.297 1.00 0.00 C ATOM 430 CD2 LEU A 30 58.628 -7.741 -17.818 1.00 0.00 C ATOM 0 H LEU A 30 55.095 -7.940 -13.452 1.00 0.00 H new ATOM 0 HA LEU A 30 57.116 -9.637 -14.430 1.00 0.00 H new ATOM 0 HB2 LEU A 30 56.375 -8.780 -16.670 1.00 0.00 H new ATOM 0 HB3 LEU A 30 56.624 -7.135 -16.121 1.00 0.00 H new ATOM 0 HG LEU A 30 59.050 -7.655 -15.697 1.00 0.00 H new ATOM 0 HD11 LEU A 30 59.993 -9.767 -16.572 1.00 0.00 H new ATOM 0 HD12 LEU A 30 58.813 -10.079 -15.278 1.00 0.00 H new ATOM 0 HD13 LEU A 30 58.356 -10.333 -16.979 1.00 0.00 H new ATOM 0 HD21 LEU A 30 59.678 -7.803 -18.104 1.00 0.00 H new ATOM 0 HD22 LEU A 30 58.030 -8.348 -18.497 1.00 0.00 H new ATOM 0 HD23 LEU A 30 58.298 -6.704 -17.873 1.00 0.00 H new ATOM 442 N GLY A 31 57.829 -8.175 -12.411 1.00 0.00 N ATOM 443 CA GLY A 31 58.574 -7.378 -11.439 1.00 0.00 C ATOM 444 C GLY A 31 59.730 -6.639 -12.107 1.00 0.00 C ATOM 445 O GLY A 31 60.833 -7.173 -12.228 1.00 0.00 O ATOM 0 H GLY A 31 57.563 -9.105 -12.086 1.00 0.00 H new ATOM 0 HA2 GLY A 31 57.906 -6.660 -10.964 1.00 0.00 H new ATOM 0 HA3 GLY A 31 58.959 -8.026 -10.651 1.00 0.00 H new ATOM 449 N ARG A 32 59.470 -5.408 -12.540 1.00 0.00 N ATOM 450 CA ARG A 32 60.498 -4.605 -13.196 1.00 0.00 C ATOM 451 C ARG A 32 61.669 -4.361 -12.249 1.00 0.00 C ATOM 452 O ARG A 32 62.822 -4.305 -12.677 1.00 0.00 O ATOM 453 CB ARG A 32 59.912 -3.259 -13.636 1.00 0.00 C ATOM 454 CG ARG A 32 58.692 -3.484 -14.538 1.00 0.00 C ATOM 455 CD ARG A 32 59.099 -4.253 -15.803 1.00 0.00 C ATOM 456 NE ARG A 32 60.419 -3.829 -16.262 1.00 0.00 N ATOM 457 CZ ARG A 32 60.571 -2.742 -17.012 1.00 0.00 C ATOM 458 NH1 ARG A 32 59.531 -2.031 -17.351 1.00 0.00 N ATOM 459 NH2 ARG A 32 61.762 -2.386 -17.410 1.00 0.00 N ATOM 0 H ARG A 32 58.564 -4.948 -12.450 1.00 0.00 H new ATOM 0 HA ARG A 32 60.854 -5.150 -14.070 1.00 0.00 H new ATOM 0 HB2 ARG A 32 59.624 -2.676 -12.761 1.00 0.00 H new ATOM 0 HB3 ARG A 32 60.667 -2.682 -14.170 1.00 0.00 H new ATOM 0 HG2 ARG A 32 57.928 -4.041 -13.996 1.00 0.00 H new ATOM 0 HG3 ARG A 32 58.253 -2.525 -14.813 1.00 0.00 H new ATOM 0 HD2 ARG A 32 59.106 -5.323 -15.597 1.00 0.00 H new ATOM 0 HD3 ARG A 32 58.363 -4.085 -16.590 1.00 0.00 H new ATOM 0 HE ARG A 32 61.239 -4.377 -16.002 1.00 0.00 H new ATOM 0 HH11 ARG A 32 58.600 -2.309 -17.041 1.00 0.00 H new ATOM 0 HH12 ARG A 32 59.649 -1.197 -17.926 1.00 0.00 H new ATOM 0 HH21 ARG A 32 62.575 -2.942 -17.146 1.00 0.00 H new ATOM 0 HH22 ARG A 32 61.879 -1.552 -17.986 1.00 0.00 H new ATOM 473 N LEU A 33 61.364 -4.213 -10.965 1.00 0.00 N ATOM 474 CA LEU A 33 62.399 -3.972 -9.964 1.00 0.00 C ATOM 475 C LEU A 33 63.152 -2.682 -10.273 1.00 0.00 C ATOM 476 CB LEU A 33 63.384 -5.147 -9.935 1.00 0.00 C ATOM 477 CG LEU A 33 64.268 -5.071 -8.672 1.00 0.00 C ATOM 478 CD1 LEU A 33 63.543 -5.694 -7.471 1.00 0.00 C ATOM 479 CD2 LEU A 33 65.575 -5.836 -8.912 1.00 0.00 C ATOM 0 H LEU A 33 60.415 -4.255 -10.593 1.00 0.00 H new ATOM 0 HA LEU A 33 61.920 -3.876 -8.989 1.00 0.00 H new ATOM 0 HB2 LEU A 33 62.837 -6.090 -9.949 1.00 0.00 H new ATOM 0 HB3 LEU A 33 64.010 -5.128 -10.827 1.00 0.00 H new ATOM 0 HG LEU A 33 64.480 -4.023 -8.461 1.00 0.00 H new ATOM 0 HD11 LEU A 33 64.180 -5.632 -6.589 1.00 0.00 H new ATOM 0 HD12 LEU A 33 62.614 -5.154 -7.286 1.00 0.00 H new ATOM 0 HD13 LEU A 33 63.319 -6.739 -7.684 1.00 0.00 H new ATOM 0 HD21 LEU A 33 66.198 -5.781 -8.019 1.00 0.00 H new ATOM 0 HD22 LEU A 33 65.350 -6.879 -9.134 1.00 0.00 H new ATOM 0 HD23 LEU A 33 66.107 -5.392 -9.753 1.00 0.00 H new TER 491 LEU A 33 ATOM 492 N CYS B 1 35.102 9.350 27.965 1.00 0.00 N ATOM 493 CA CYS B 1 35.342 8.081 27.223 1.00 0.00 C ATOM 494 C CYS B 1 36.843 7.874 27.046 1.00 0.00 C ATOM 495 O CYS B 1 37.313 6.743 26.927 1.00 0.00 O ATOM 496 CB CYS B 1 34.665 8.158 25.853 1.00 0.00 C ATOM 497 SG CYS B 1 35.126 9.708 25.040 1.00 0.00 S ATOM 0 H1 CYS B 1 34.253 9.251 28.557 1.00 0.00 H new ATOM 0 H2 CYS B 1 35.922 9.560 28.569 1.00 0.00 H new ATOM 0 H3 CYS B 1 34.963 10.127 27.288 1.00 0.00 H new ATOM 0 HA CYS B 1 34.927 7.244 27.784 1.00 0.00 H new ATOM 0 HB2 CYS B 1 34.965 7.309 25.239 1.00 0.00 H new ATOM 0 HB3 CYS B 1 33.582 8.102 25.967 1.00 0.00 H new ATOM 501 N SER B 2 37.588 8.975 27.029 1.00 0.00 N ATOM 502 CA SER B 2 39.036 8.905 26.864 1.00 0.00 C ATOM 503 C SER B 2 39.395 8.175 25.574 1.00 0.00 C ATOM 504 O SER B 2 39.409 6.944 25.528 1.00 0.00 O ATOM 505 CB SER B 2 39.665 8.180 28.054 1.00 0.00 C ATOM 506 OG SER B 2 39.261 8.817 29.259 1.00 0.00 O ATOM 0 H SER B 2 37.217 9.920 27.127 1.00 0.00 H new ATOM 0 HA SER B 2 39.424 9.922 26.813 1.00 0.00 H new ATOM 0 HB2 SER B 2 39.358 7.134 28.061 1.00 0.00 H new ATOM 0 HB3 SER B 2 40.752 8.192 27.969 1.00 0.00 H new ATOM 0 HG SER B 2 39.661 8.354 30.024 1.00 0.00 H new ATOM 512 N THR B 3 39.687 8.941 24.529 1.00 0.00 N ATOM 513 CA THR B 3 40.047 8.358 23.242 1.00 0.00 C ATOM 514 C THR B 3 38.913 7.491 22.707 1.00 0.00 C ATOM 515 O THR B 3 38.491 6.534 23.357 1.00 0.00 O ATOM 516 CB THR B 3 41.315 7.512 23.387 1.00 0.00 C ATOM 517 OG1 THR B 3 42.272 8.223 24.158 1.00 0.00 O ATOM 518 CG2 THR B 3 41.893 7.211 22.002 1.00 0.00 C ATOM 0 H THR B 3 39.682 9.961 24.547 1.00 0.00 H new ATOM 0 HA THR B 3 40.230 9.169 22.537 1.00 0.00 H new ATOM 0 HB THR B 3 41.070 6.575 23.887 1.00 0.00 H new ATOM 0 HG1 THR B 3 43.083 7.681 24.253 1.00 0.00 H new ATOM 0 HG21 THR B 3 42.795 6.609 22.107 1.00 0.00 H new ATOM 0 HG22 THR B 3 41.158 6.663 21.412 1.00 0.00 H new ATOM 0 HG23 THR B 3 42.138 8.146 21.499 1.00 0.00 H new ATOM 526 N VAL B 4 38.424 7.832 21.517 1.00 0.00 N ATOM 527 CA VAL B 4 37.336 7.082 20.891 1.00 0.00 C ATOM 528 C VAL B 4 37.518 7.053 19.376 1.00 0.00 C ATOM 529 O VAL B 4 37.426 8.087 18.713 1.00 0.00 O ATOM 530 CB VAL B 4 35.991 7.731 21.237 1.00 0.00 C ATOM 531 CG1 VAL B 4 34.868 7.056 20.446 1.00 0.00 C ATOM 532 CG2 VAL B 4 35.724 7.570 22.736 1.00 0.00 C ATOM 0 H VAL B 4 38.763 8.621 20.967 1.00 0.00 H new ATOM 0 HA VAL B 4 37.352 6.060 21.269 1.00 0.00 H new ATOM 0 HB VAL B 4 36.025 8.789 20.979 1.00 0.00 H new ATOM 0 HG11 VAL B 4 33.915 7.522 20.697 1.00 0.00 H new ATOM 0 HG12 VAL B 4 35.057 7.168 19.378 1.00 0.00 H new ATOM 0 HG13 VAL B 4 34.831 5.996 20.699 1.00 0.00 H new ATOM 0 HG21 VAL B 4 34.768 8.030 22.987 1.00 0.00 H new ATOM 0 HG22 VAL B 4 35.694 6.510 22.988 1.00 0.00 H new ATOM 0 HG23 VAL B 4 36.520 8.055 23.301 1.00 0.00 H new ATOM 542 N SER B 5 37.772 5.867 18.834 1.00 0.00 N ATOM 543 CA SER B 5 37.961 5.726 17.396 1.00 0.00 C ATOM 544 C SER B 5 38.189 4.256 17.025 1.00 0.00 C ATOM 545 O SER B 5 38.664 3.470 17.845 1.00 0.00 O ATOM 546 CB SER B 5 39.166 6.568 16.952 1.00 0.00 C ATOM 547 OG SER B 5 39.831 5.918 15.875 1.00 0.00 O ATOM 0 H SER B 5 37.851 4.998 19.362 1.00 0.00 H new ATOM 0 HA SER B 5 37.063 6.076 16.887 1.00 0.00 H new ATOM 0 HB2 SER B 5 38.836 7.560 16.643 1.00 0.00 H new ATOM 0 HB3 SER B 5 39.853 6.706 17.787 1.00 0.00 H new ATOM 0 HG SER B 5 40.599 6.457 15.592 1.00 0.00 H new ATOM 553 N PRO B 6 37.870 3.875 15.809 1.00 0.00 N ATOM 554 CA PRO B 6 38.056 2.469 15.329 1.00 0.00 C ATOM 555 C PRO B 6 39.515 2.027 15.397 1.00 0.00 C ATOM 556 O PRO B 6 40.349 2.465 14.607 1.00 0.00 O ATOM 557 CB PRO B 6 37.525 2.495 13.881 1.00 0.00 C ATOM 558 CG PRO B 6 37.532 3.939 13.479 1.00 0.00 C ATOM 559 CD PRO B 6 37.297 4.734 14.759 1.00 0.00 C ATOM 0 HA PRO B 6 37.527 1.747 15.951 1.00 0.00 H new ATOM 0 HB2 PRO B 6 38.156 1.901 13.221 1.00 0.00 H new ATOM 0 HB3 PRO B 6 36.520 2.076 13.824 1.00 0.00 H new ATOM 0 HG2 PRO B 6 38.482 4.211 13.020 1.00 0.00 H new ATOM 0 HG3 PRO B 6 36.753 4.143 12.745 1.00 0.00 H new ATOM 0 HD2 PRO B 6 37.789 5.706 14.723 1.00 0.00 H new ATOM 0 HD3 PRO B 6 36.236 4.919 14.927 1.00 0.00 H new ATOM 567 N GLY B 7 39.805 1.145 16.349 1.00 0.00 N ATOM 568 CA GLY B 7 41.156 0.633 16.516 1.00 0.00 C ATOM 569 C GLY B 7 41.562 -0.172 15.291 1.00 0.00 C ATOM 570 O GLY B 7 42.724 -0.162 14.883 1.00 0.00 O ATOM 0 H GLY B 7 39.125 0.773 17.012 1.00 0.00 H new ATOM 0 HA2 GLY B 7 41.851 1.459 16.665 1.00 0.00 H new ATOM 0 HA3 GLY B 7 41.209 0.007 17.407 1.00 0.00 H new ATOM 574 N VAL B 8 40.590 -0.861 14.703 1.00 0.00 N ATOM 575 CA VAL B 8 40.852 -1.659 13.517 1.00 0.00 C ATOM 576 C VAL B 8 41.405 -0.771 12.403 1.00 0.00 C ATOM 577 O VAL B 8 42.263 -1.197 11.629 1.00 0.00 O ATOM 578 CB VAL B 8 39.567 -2.370 13.065 1.00 0.00 C ATOM 579 CG1 VAL B 8 38.403 -1.373 13.036 1.00 0.00 C ATOM 580 CG2 VAL B 8 39.766 -2.967 11.666 1.00 0.00 C ATOM 0 H VAL B 8 39.623 -0.882 15.027 1.00 0.00 H new ATOM 0 HA VAL B 8 41.597 -2.419 13.753 1.00 0.00 H new ATOM 0 HB VAL B 8 39.339 -3.170 13.769 1.00 0.00 H new ATOM 0 HG11 VAL B 8 37.495 -1.883 12.715 1.00 0.00 H new ATOM 0 HG12 VAL B 8 38.253 -0.959 14.033 1.00 0.00 H new ATOM 0 HG13 VAL B 8 38.632 -0.567 12.339 1.00 0.00 H new ATOM 0 HG21 VAL B 8 38.851 -3.470 11.351 1.00 0.00 H new ATOM 0 HG22 VAL B 8 40.003 -2.170 10.961 1.00 0.00 H new ATOM 0 HG23 VAL B 8 40.585 -3.686 11.690 1.00 0.00 H new ATOM 590 N LEU B 9 40.927 0.471 12.334 1.00 0.00 N ATOM 591 CA LEU B 9 41.420 1.390 11.307 1.00 0.00 C ATOM 592 C LEU B 9 42.922 1.626 11.525 1.00 0.00 C ATOM 593 O LEU B 9 43.724 1.538 10.588 1.00 0.00 O ATOM 594 CB LEU B 9 40.625 2.716 11.367 1.00 0.00 C ATOM 595 CG LEU B 9 39.606 2.837 10.204 1.00 0.00 C ATOM 596 CD1 LEU B 9 40.332 2.802 8.837 1.00 0.00 C ATOM 597 CD2 LEU B 9 38.555 1.705 10.284 1.00 0.00 C ATOM 0 H LEU B 9 40.218 0.857 12.958 1.00 0.00 H new ATOM 0 HA LEU B 9 41.277 0.960 10.316 1.00 0.00 H new ATOM 0 HB2 LEU B 9 40.098 2.780 12.319 1.00 0.00 H new ATOM 0 HB3 LEU B 9 41.318 3.556 11.330 1.00 0.00 H new ATOM 0 HG LEU B 9 39.093 3.794 10.298 1.00 0.00 H new ATOM 0 HD11 LEU B 9 39.600 2.888 8.034 1.00 0.00 H new ATOM 0 HD12 LEU B 9 41.036 3.632 8.777 1.00 0.00 H new ATOM 0 HD13 LEU B 9 40.872 1.861 8.736 1.00 0.00 H new ATOM 0 HD21 LEU B 9 37.848 1.806 9.460 1.00 0.00 H new ATOM 0 HD22 LEU B 9 39.055 0.739 10.217 1.00 0.00 H new ATOM 0 HD23 LEU B 9 38.020 1.772 11.231 1.00 0.00 H new ATOM 609 N ALA B 10 43.301 1.892 12.772 1.00 0.00 N ATOM 610 CA ALA B 10 44.708 2.095 13.091 1.00 0.00 C ATOM 611 C ALA B 10 45.476 0.840 12.704 1.00 0.00 C ATOM 612 O ALA B 10 46.634 0.887 12.286 1.00 0.00 O ATOM 613 CB ALA B 10 44.877 2.369 14.586 1.00 0.00 C ATOM 0 H ALA B 10 42.665 1.971 13.565 1.00 0.00 H new ATOM 0 HA ALA B 10 45.091 2.954 12.540 1.00 0.00 H new ATOM 0 HB1 ALA B 10 45.933 2.519 14.811 1.00 0.00 H new ATOM 0 HB2 ALA B 10 44.317 3.264 14.857 1.00 0.00 H new ATOM 0 HB3 ALA B 10 44.501 1.519 15.156 1.00 0.00 H new ATOM 619 N GLY B 11 44.796 -0.288 12.829 1.00 0.00 N ATOM 620 CA GLY B 11 45.393 -1.563 12.475 1.00 0.00 C ATOM 621 C GLY B 11 45.655 -1.607 10.977 1.00 0.00 C ATOM 622 O GLY B 11 46.615 -2.225 10.508 1.00 0.00 O ATOM 0 H GLY B 11 43.837 -0.346 13.171 1.00 0.00 H new ATOM 0 HA2 GLY B 11 46.326 -1.703 13.022 1.00 0.00 H new ATOM 0 HA3 GLY B 11 44.729 -2.379 12.762 1.00 0.00 H new ATOM 626 N ILE B 12 44.783 -0.947 10.223 1.00 0.00 N ATOM 627 CA ILE B 12 44.922 -0.920 8.779 1.00 0.00 C ATOM 628 C ILE B 12 46.087 -0.030 8.336 1.00 0.00 C ATOM 629 O ILE B 12 46.739 -0.350 7.352 1.00 0.00 O ATOM 630 CB ILE B 12 43.608 -0.489 8.117 1.00 0.00 C ATOM 631 CG1 ILE B 12 42.570 -1.603 8.329 1.00 0.00 C ATOM 632 CG2 ILE B 12 43.839 -0.275 6.614 1.00 0.00 C ATOM 633 CD1 ILE B 12 41.188 -1.147 7.848 1.00 0.00 C ATOM 0 H ILE B 12 43.982 -0.430 10.586 1.00 0.00 H new ATOM 0 HA ILE B 12 45.153 -1.933 8.450 1.00 0.00 H new ATOM 0 HB ILE B 12 43.251 0.442 8.557 1.00 0.00 H new ATOM 0 HG12 ILE B 12 42.873 -2.499 7.787 1.00 0.00 H new ATOM 0 HG13 ILE B 12 42.524 -1.870 9.385 1.00 0.00 H new ATOM 0 HG21 ILE B 12 42.905 0.031 6.142 1.00 0.00 H new ATOM 0 HG22 ILE B 12 44.591 0.501 6.468 1.00 0.00 H new ATOM 0 HG23 ILE B 12 44.185 -1.205 6.163 1.00 0.00 H new ATOM 0 HD11 ILE B 12 40.465 -1.948 8.006 1.00 0.00 H new ATOM 0 HD12 ILE B 12 40.880 -0.265 8.409 1.00 0.00 H new ATOM 0 HD13 ILE B 12 41.234 -0.904 6.787 1.00 0.00 H new ATOM 645 N VAL B 13 46.366 1.078 9.038 1.00 0.00 N ATOM 646 CA VAL B 13 47.498 1.924 8.619 1.00 0.00 C ATOM 647 C VAL B 13 48.813 1.201 8.883 1.00 0.00 C ATOM 648 O VAL B 13 49.695 1.159 8.013 1.00 0.00 O ATOM 649 CB VAL B 13 47.488 3.319 9.288 1.00 0.00 C ATOM 650 CG1 VAL B 13 46.045 3.827 9.415 1.00 0.00 C ATOM 651 CG2 VAL B 13 48.150 3.276 10.674 1.00 0.00 C ATOM 0 H VAL B 13 45.854 1.400 9.859 1.00 0.00 H new ATOM 0 HA VAL B 13 47.391 2.101 7.549 1.00 0.00 H new ATOM 0 HB VAL B 13 48.060 4.001 8.659 1.00 0.00 H new ATOM 0 HG11 VAL B 13 46.045 4.810 9.887 1.00 0.00 H new ATOM 0 HG12 VAL B 13 45.597 3.900 8.424 1.00 0.00 H new ATOM 0 HG13 VAL B 13 45.467 3.132 10.024 1.00 0.00 H new ATOM 0 HG21 VAL B 13 48.128 4.271 11.119 1.00 0.00 H new ATOM 0 HG22 VAL B 13 47.608 2.580 11.314 1.00 0.00 H new ATOM 0 HG23 VAL B 13 49.184 2.947 10.573 1.00 0.00 H new ATOM 661 N VAL B 14 48.947 0.591 10.059 1.00 0.00 N ATOM 662 CA VAL B 14 50.169 -0.148 10.325 1.00 0.00 C ATOM 663 C VAL B 14 50.278 -1.244 9.271 1.00 0.00 C ATOM 664 O VAL B 14 51.363 -1.590 8.807 1.00 0.00 O ATOM 665 CB VAL B 14 50.161 -0.746 11.733 1.00 0.00 C ATOM 666 CG1 VAL B 14 48.873 -1.526 11.941 1.00 0.00 C ATOM 667 CG2 VAL B 14 51.359 -1.684 11.899 1.00 0.00 C ATOM 0 H VAL B 14 48.256 0.593 10.810 1.00 0.00 H new ATOM 0 HA VAL B 14 51.029 0.519 10.274 1.00 0.00 H new ATOM 0 HB VAL B 14 50.226 0.055 12.469 1.00 0.00 H new ATOM 0 HG11 VAL B 14 48.864 -1.953 12.944 1.00 0.00 H new ATOM 0 HG12 VAL B 14 48.020 -0.858 11.824 1.00 0.00 H new ATOM 0 HG13 VAL B 14 48.810 -2.327 11.205 1.00 0.00 H new ATOM 0 HG21 VAL B 14 51.352 -2.109 12.903 1.00 0.00 H new ATOM 0 HG22 VAL B 14 51.297 -2.487 11.164 1.00 0.00 H new ATOM 0 HG23 VAL B 14 52.282 -1.125 11.748 1.00 0.00 H new ATOM 677 N GLY B 15 49.122 -1.761 8.867 1.00 0.00 N ATOM 678 CA GLY B 15 49.072 -2.790 7.839 1.00 0.00 C ATOM 679 C GLY B 15 49.409 -2.200 6.465 1.00 0.00 C ATOM 680 O GLY B 15 49.854 -2.912 5.566 1.00 0.00 O ATOM 0 H GLY B 15 48.212 -1.485 9.235 1.00 0.00 H new ATOM 0 HA2 GLY B 15 49.775 -3.587 8.081 1.00 0.00 H new ATOM 0 HA3 GLY B 15 48.079 -3.238 7.814 1.00 0.00 H new ATOM 684 N ASP B 16 49.162 -0.899 6.304 1.00 0.00 N ATOM 685 CA ASP B 16 49.406 -0.223 5.032 1.00 0.00 C ATOM 686 C ASP B 16 50.894 -0.115 4.727 1.00 0.00 C ATOM 687 O ASP B 16 51.371 -0.653 3.721 1.00 0.00 O ATOM 688 CB ASP B 16 48.799 1.183 5.067 1.00 0.00 C ATOM 689 CG ASP B 16 48.974 1.865 3.715 1.00 0.00 C ATOM 690 OD1 ASP B 16 50.102 2.175 3.372 1.00 0.00 O ATOM 691 OD2 ASP B 16 47.976 2.069 3.044 1.00 0.00 O ATOM 0 H ASP B 16 48.794 -0.294 7.038 1.00 0.00 H new ATOM 0 HA ASP B 16 48.938 -0.818 4.248 1.00 0.00 H new ATOM 0 HB2 ASP B 16 47.740 1.124 5.318 1.00 0.00 H new ATOM 0 HB3 ASP B 16 49.279 1.775 5.846 1.00 0.00 H new ATOM 696 N LEU B 17 51.640 0.579 5.585 1.00 0.00 N ATOM 697 CA LEU B 17 53.072 0.721 5.340 1.00 0.00 C ATOM 698 C LEU B 17 53.773 -0.628 5.504 1.00 0.00 C ATOM 699 O LEU B 17 54.803 -0.875 4.873 1.00 0.00 O ATOM 700 CB LEU B 17 53.702 1.862 6.192 1.00 0.00 C ATOM 701 CG LEU B 17 54.055 1.463 7.642 1.00 0.00 C ATOM 702 CD1 LEU B 17 52.826 0.904 8.365 1.00 0.00 C ATOM 703 CD2 LEU B 17 55.231 0.457 7.678 1.00 0.00 C ATOM 0 H LEU B 17 51.292 1.037 6.427 1.00 0.00 H new ATOM 0 HA LEU B 17 53.220 1.031 4.306 1.00 0.00 H new ATOM 0 HB2 LEU B 17 54.607 2.211 5.695 1.00 0.00 H new ATOM 0 HB3 LEU B 17 53.008 2.702 6.219 1.00 0.00 H new ATOM 0 HG LEU B 17 54.377 2.361 8.168 1.00 0.00 H new ATOM 0 HD11 LEU B 17 53.097 0.629 9.384 1.00 0.00 H new ATOM 0 HD12 LEU B 17 52.042 1.661 8.389 1.00 0.00 H new ATOM 0 HD13 LEU B 17 52.462 0.023 7.836 1.00 0.00 H new ATOM 0 HD21 LEU B 17 55.455 0.196 8.712 1.00 0.00 H new ATOM 0 HD22 LEU B 17 54.957 -0.443 7.128 1.00 0.00 H new ATOM 0 HD23 LEU B 17 56.110 0.909 7.219 1.00 0.00 H new ATOM 715 N VAL B 18 53.190 -1.527 6.307 1.00 0.00 N ATOM 716 CA VAL B 18 53.766 -2.857 6.468 1.00 0.00 C ATOM 717 C VAL B 18 53.650 -3.604 5.136 1.00 0.00 C ATOM 718 O VAL B 18 54.562 -4.325 4.740 1.00 0.00 O ATOM 719 CB VAL B 18 53.039 -3.629 7.586 1.00 0.00 C ATOM 720 CG1 VAL B 18 53.306 -5.136 7.463 1.00 0.00 C ATOM 721 CG2 VAL B 18 53.534 -3.152 8.961 1.00 0.00 C ATOM 0 H VAL B 18 52.338 -1.359 6.843 1.00 0.00 H new ATOM 0 HA VAL B 18 54.815 -2.772 6.751 1.00 0.00 H new ATOM 0 HB VAL B 18 51.970 -3.441 7.488 1.00 0.00 H new ATOM 0 HG11 VAL B 18 52.784 -5.664 8.261 1.00 0.00 H new ATOM 0 HG12 VAL B 18 52.947 -5.492 6.497 1.00 0.00 H new ATOM 0 HG13 VAL B 18 54.377 -5.324 7.543 1.00 0.00 H new ATOM 0 HG21 VAL B 18 53.015 -3.703 9.746 1.00 0.00 H new ATOM 0 HG22 VAL B 18 54.607 -3.328 9.043 1.00 0.00 H new ATOM 0 HG23 VAL B 18 53.332 -2.087 9.071 1.00 0.00 H new ATOM 731 N LEU B 19 52.519 -3.419 4.452 1.00 0.00 N ATOM 732 CA LEU B 19 52.293 -4.071 3.162 1.00 0.00 C ATOM 733 C LEU B 19 53.317 -3.583 2.139 1.00 0.00 C ATOM 734 O LEU B 19 53.909 -4.375 1.407 1.00 0.00 O ATOM 735 CB LEU B 19 50.879 -3.742 2.639 1.00 0.00 C ATOM 736 CG LEU B 19 49.829 -4.694 3.236 1.00 0.00 C ATOM 737 CD1 LEU B 19 48.439 -4.062 3.085 1.00 0.00 C ATOM 738 CD2 LEU B 19 49.841 -6.045 2.497 1.00 0.00 C ATOM 0 H LEU B 19 51.751 -2.827 4.768 1.00 0.00 H new ATOM 0 HA LEU B 19 52.394 -5.147 3.302 1.00 0.00 H new ATOM 0 HB2 LEU B 19 50.626 -2.712 2.892 1.00 0.00 H new ATOM 0 HB3 LEU B 19 50.864 -3.816 1.552 1.00 0.00 H new ATOM 0 HG LEU B 19 50.063 -4.861 4.287 1.00 0.00 H new ATOM 0 HD11 LEU B 19 47.688 -4.730 3.506 1.00 0.00 H new ATOM 0 HD12 LEU B 19 48.413 -3.109 3.613 1.00 0.00 H new ATOM 0 HD13 LEU B 19 48.227 -3.897 2.029 1.00 0.00 H new ATOM 0 HD21 LEU B 19 49.092 -6.705 2.934 1.00 0.00 H new ATOM 0 HD22 LEU B 19 49.614 -5.885 1.443 1.00 0.00 H new ATOM 0 HD23 LEU B 19 50.826 -6.502 2.591 1.00 0.00 H new ATOM 750 N THR B 20 53.495 -2.267 2.080 1.00 0.00 N ATOM 751 CA THR B 20 54.422 -1.674 1.123 1.00 0.00 C ATOM 752 C THR B 20 55.835 -2.223 1.297 1.00 0.00 C ATOM 753 O THR B 20 56.473 -2.633 0.326 1.00 0.00 O ATOM 754 CB THR B 20 54.447 -0.155 1.305 1.00 0.00 C ATOM 755 OG1 THR B 20 53.115 0.332 1.391 1.00 0.00 O ATOM 756 CG2 THR B 20 55.154 0.493 0.114 1.00 0.00 C ATOM 0 H THR B 20 53.014 -1.596 2.678 1.00 0.00 H new ATOM 0 HA THR B 20 54.076 -1.929 0.121 1.00 0.00 H new ATOM 0 HB THR B 20 54.984 0.092 2.221 1.00 0.00 H new ATOM 0 HG1 THR B 20 53.129 1.305 1.509 1.00 0.00 H new ATOM 0 HG21 THR B 20 55.171 1.575 0.245 1.00 0.00 H new ATOM 0 HG22 THR B 20 56.176 0.119 0.050 1.00 0.00 H new ATOM 0 HG23 THR B 20 54.620 0.247 -0.804 1.00 0.00 H new ATOM 764 N VAL B 21 56.328 -2.208 2.528 1.00 0.00 N ATOM 765 CA VAL B 21 57.681 -2.684 2.802 1.00 0.00 C ATOM 766 C VAL B 21 57.792 -4.204 2.701 1.00 0.00 C ATOM 767 O VAL B 21 58.864 -4.729 2.404 1.00 0.00 O ATOM 768 CB VAL B 21 58.111 -2.234 4.199 1.00 0.00 C ATOM 769 CG1 VAL B 21 59.514 -2.767 4.500 1.00 0.00 C ATOM 770 CG2 VAL B 21 58.124 -0.705 4.260 1.00 0.00 C ATOM 0 H VAL B 21 55.819 -1.875 3.347 1.00 0.00 H new ATOM 0 HA VAL B 21 58.338 -2.254 2.046 1.00 0.00 H new ATOM 0 HB VAL B 21 57.409 -2.623 4.937 1.00 0.00 H new ATOM 0 HG11 VAL B 21 59.819 -2.446 5.496 1.00 0.00 H new ATOM 0 HG12 VAL B 21 59.507 -3.856 4.457 1.00 0.00 H new ATOM 0 HG13 VAL B 21 60.217 -2.379 3.762 1.00 0.00 H new ATOM 0 HG21 VAL B 21 58.430 -0.383 5.255 1.00 0.00 H new ATOM 0 HG22 VAL B 21 58.826 -0.317 3.521 1.00 0.00 H new ATOM 0 HG23 VAL B 21 57.125 -0.324 4.047 1.00 0.00 H new ATOM 780 N LEU B 22 56.702 -4.910 2.969 1.00 0.00 N ATOM 781 CA LEU B 22 56.734 -6.368 2.918 1.00 0.00 C ATOM 782 C LEU B 22 56.911 -6.869 1.488 1.00 0.00 C ATOM 783 O LEU B 22 57.849 -7.612 1.195 1.00 0.00 O ATOM 784 CB LEU B 22 55.439 -6.938 3.515 1.00 0.00 C ATOM 785 CG LEU B 22 55.373 -8.460 3.313 1.00 0.00 C ATOM 786 CD1 LEU B 22 56.662 -9.117 3.822 1.00 0.00 C ATOM 787 CD2 LEU B 22 54.177 -9.015 4.093 1.00 0.00 C ATOM 0 H LEU B 22 55.799 -4.507 3.220 1.00 0.00 H new ATOM 0 HA LEU B 22 57.588 -6.709 3.503 1.00 0.00 H new ATOM 0 HB2 LEU B 22 55.389 -6.705 4.579 1.00 0.00 H new ATOM 0 HB3 LEU B 22 54.577 -6.466 3.044 1.00 0.00 H new ATOM 0 HG LEU B 22 55.261 -8.678 2.251 1.00 0.00 H new ATOM 0 HD11 LEU B 22 56.604 -10.195 3.674 1.00 0.00 H new ATOM 0 HD12 LEU B 22 57.515 -8.720 3.271 1.00 0.00 H new ATOM 0 HD13 LEU B 22 56.785 -8.903 4.884 1.00 0.00 H new ATOM 0 HD21 LEU B 22 54.122 -10.095 3.955 1.00 0.00 H new ATOM 0 HD22 LEU B 22 54.298 -8.790 5.153 1.00 0.00 H new ATOM 0 HD23 LEU B 22 53.259 -8.556 3.727 1.00 0.00 H new ATOM 799 N ILE B 23 56.012 -6.467 0.599 1.00 0.00 N ATOM 800 CA ILE B 23 56.099 -6.902 -0.787 1.00 0.00 C ATOM 801 C ILE B 23 57.301 -6.248 -1.465 1.00 0.00 C ATOM 802 O ILE B 23 58.033 -6.903 -2.209 1.00 0.00 O ATOM 803 CB ILE B 23 54.806 -6.566 -1.533 1.00 0.00 C ATOM 804 CG1 ILE B 23 53.609 -7.042 -0.705 1.00 0.00 C ATOM 805 CG2 ILE B 23 54.797 -7.292 -2.883 1.00 0.00 C ATOM 806 CD1 ILE B 23 52.309 -6.662 -1.416 1.00 0.00 C ATOM 0 H ILE B 23 55.227 -5.851 0.808 1.00 0.00 H new ATOM 0 HA ILE B 23 56.233 -7.983 -0.811 1.00 0.00 H new ATOM 0 HB ILE B 23 54.744 -5.489 -1.691 1.00 0.00 H new ATOM 0 HG12 ILE B 23 53.657 -8.122 -0.566 1.00 0.00 H new ATOM 0 HG13 ILE B 23 53.638 -6.591 0.287 1.00 0.00 H new ATOM 0 HG21 ILE B 23 53.877 -7.055 -3.417 1.00 0.00 H new ATOM 0 HG22 ILE B 23 55.654 -6.970 -3.475 1.00 0.00 H new ATOM 0 HG23 ILE B 23 54.854 -8.368 -2.718 1.00 0.00 H new ATOM 0 HD11 ILE B 23 51.458 -7.002 -0.825 1.00 0.00 H new ATOM 0 HD12 ILE B 23 52.261 -5.579 -1.532 1.00 0.00 H new ATOM 0 HD13 ILE B 23 52.280 -7.134 -2.398 1.00 0.00 H new ATOM 818 N ALA B 24 57.515 -4.960 -1.193 1.00 0.00 N ATOM 819 CA ALA B 24 58.650 -4.256 -1.778 1.00 0.00 C ATOM 820 C ALA B 24 59.949 -4.956 -1.385 1.00 0.00 C ATOM 821 O ALA B 24 60.874 -5.080 -2.189 1.00 0.00 O ATOM 822 CB ALA B 24 58.682 -2.806 -1.292 1.00 0.00 C ATOM 0 H ALA B 24 56.927 -4.393 -0.582 1.00 0.00 H new ATOM 0 HA ALA B 24 58.546 -4.263 -2.863 1.00 0.00 H new ATOM 0 HB1 ALA B 24 59.534 -2.292 -1.736 1.00 0.00 H new ATOM 0 HB2 ALA B 24 57.761 -2.303 -1.587 1.00 0.00 H new ATOM 0 HB3 ALA B 24 58.774 -2.788 -0.206 1.00 0.00 H new ATOM 828 N LEU B 25 60.006 -5.423 -0.140 1.00 0.00 N ATOM 829 CA LEU B 25 61.189 -6.120 0.342 1.00 0.00 C ATOM 830 C LEU B 25 61.305 -7.473 -0.350 1.00 0.00 C ATOM 831 O LEU B 25 62.405 -7.941 -0.645 1.00 0.00 O ATOM 832 CB LEU B 25 61.106 -6.306 1.863 1.00 0.00 C ATOM 833 CG LEU B 25 62.285 -7.152 2.371 1.00 0.00 C ATOM 834 CD1 LEU B 25 63.617 -6.525 1.931 1.00 0.00 C ATOM 835 CD2 LEU B 25 62.229 -7.212 3.900 1.00 0.00 C ATOM 0 H LEU B 25 59.255 -5.332 0.544 1.00 0.00 H new ATOM 0 HA LEU B 25 62.074 -5.527 0.112 1.00 0.00 H new ATOM 0 HB2 LEU B 25 61.111 -5.333 2.354 1.00 0.00 H new ATOM 0 HB3 LEU B 25 60.165 -6.790 2.125 1.00 0.00 H new ATOM 0 HG LEU B 25 62.216 -8.157 1.954 1.00 0.00 H new ATOM 0 HD11 LEU B 25 64.444 -7.133 2.297 1.00 0.00 H new ATOM 0 HD12 LEU B 25 63.655 -6.478 0.843 1.00 0.00 H new ATOM 0 HD13 LEU B 25 63.698 -5.518 2.341 1.00 0.00 H new ATOM 0 HD21 LEU B 25 63.061 -7.810 4.271 1.00 0.00 H new ATOM 0 HD22 LEU B 25 62.297 -6.203 4.306 1.00 0.00 H new ATOM 0 HD23 LEU B 25 61.288 -7.666 4.212 1.00 0.00 H new ATOM 847 N ALA B 26 60.158 -8.097 -0.605 1.00 0.00 N ATOM 848 CA ALA B 26 60.138 -9.397 -1.264 1.00 0.00 C ATOM 849 C ALA B 26 60.838 -9.321 -2.619 1.00 0.00 C ATOM 850 O ALA B 26 61.726 -10.123 -2.910 1.00 0.00 O ATOM 851 CB ALA B 26 58.695 -9.865 -1.457 1.00 0.00 C ATOM 0 H ALA B 26 59.238 -7.726 -0.367 1.00 0.00 H new ATOM 0 HA ALA B 26 60.668 -10.111 -0.633 1.00 0.00 H new ATOM 0 HB1 ALA B 26 58.691 -10.837 -1.950 1.00 0.00 H new ATOM 0 HB2 ALA B 26 58.207 -9.948 -0.486 1.00 0.00 H new ATOM 0 HB3 ALA B 26 58.158 -9.144 -2.073 1.00 0.00 H new ATOM 857 N VAL B 27 60.437 -8.357 -3.446 1.00 0.00 N ATOM 858 CA VAL B 27 61.049 -8.205 -4.763 1.00 0.00 C ATOM 859 C VAL B 27 62.519 -7.820 -4.632 1.00 0.00 C ATOM 860 O VAL B 27 63.359 -8.280 -5.405 1.00 0.00 O ATOM 861 CB VAL B 27 60.309 -7.145 -5.579 1.00 0.00 C ATOM 862 CG1 VAL B 27 58.923 -7.667 -5.953 1.00 0.00 C ATOM 863 CG2 VAL B 27 60.160 -5.868 -4.753 1.00 0.00 C ATOM 0 H VAL B 27 59.704 -7.681 -3.232 1.00 0.00 H new ATOM 0 HA VAL B 27 60.980 -9.162 -5.279 1.00 0.00 H new ATOM 0 HB VAL B 27 60.877 -6.927 -6.484 1.00 0.00 H new ATOM 0 HG11 VAL B 27 58.395 -6.912 -6.535 1.00 0.00 H new ATOM 0 HG12 VAL B 27 59.024 -8.576 -6.545 1.00 0.00 H new ATOM 0 HG13 VAL B 27 58.360 -7.886 -5.046 1.00 0.00 H new ATOM 0 HG21 VAL B 27 59.632 -5.115 -5.339 1.00 0.00 H new ATOM 0 HG22 VAL B 27 59.595 -6.085 -3.847 1.00 0.00 H new ATOM 0 HG23 VAL B 27 61.147 -5.492 -4.484 1.00 0.00 H new ATOM 873 N TYR B 28 62.825 -6.972 -3.654 1.00 0.00 N ATOM 874 CA TYR B 28 64.203 -6.540 -3.447 1.00 0.00 C ATOM 875 C TYR B 28 65.109 -7.744 -3.203 1.00 0.00 C ATOM 876 O TYR B 28 66.169 -7.869 -3.816 1.00 0.00 O ATOM 877 CB TYR B 28 64.282 -5.587 -2.252 1.00 0.00 C ATOM 878 CG TYR B 28 65.724 -5.209 -2.004 1.00 0.00 C ATOM 879 CD1 TYR B 28 66.318 -4.186 -2.753 1.00 0.00 C ATOM 880 CD2 TYR B 28 66.467 -5.885 -1.028 1.00 0.00 C ATOM 881 CE1 TYR B 28 67.654 -3.837 -2.526 1.00 0.00 C ATOM 882 CE2 TYR B 28 67.804 -5.536 -0.802 1.00 0.00 C ATOM 883 CZ TYR B 28 68.397 -4.513 -1.550 1.00 0.00 C ATOM 884 OH TYR B 28 69.715 -4.170 -1.327 1.00 0.00 O ATOM 0 H TYR B 28 62.149 -6.576 -3.002 1.00 0.00 H new ATOM 0 HA TYR B 28 64.539 -6.021 -4.344 1.00 0.00 H new ATOM 0 HB2 TYR B 28 63.689 -4.693 -2.446 1.00 0.00 H new ATOM 0 HB3 TYR B 28 63.862 -6.062 -1.366 1.00 0.00 H new ATOM 0 HD1 TYR B 28 65.745 -3.666 -3.506 1.00 0.00 H new ATOM 0 HD2 TYR B 28 66.009 -6.674 -0.450 1.00 0.00 H new ATOM 0 HE1 TYR B 28 68.112 -3.047 -3.103 1.00 0.00 H new ATOM 0 HE2 TYR B 28 68.378 -6.057 -0.050 1.00 0.00 H new ATOM 0 HH TYR B 28 70.084 -4.735 -0.616 1.00 0.00 H new ATOM 894 N PHE B 29 64.686 -8.626 -2.303 1.00 0.00 N ATOM 895 CA PHE B 29 65.468 -9.816 -1.986 1.00 0.00 C ATOM 896 C PHE B 29 65.605 -10.718 -3.209 1.00 0.00 C ATOM 897 O PHE B 29 66.696 -11.200 -3.516 1.00 0.00 O ATOM 898 CB PHE B 29 64.798 -10.595 -0.852 1.00 0.00 C ATOM 899 CG PHE B 29 65.623 -11.817 -0.527 1.00 0.00 C ATOM 900 CD1 PHE B 29 66.733 -11.706 0.320 1.00 0.00 C ATOM 901 CD2 PHE B 29 65.278 -13.060 -1.070 1.00 0.00 C ATOM 902 CE1 PHE B 29 67.499 -12.840 0.621 1.00 0.00 C ATOM 903 CE2 PHE B 29 66.044 -14.192 -0.769 1.00 0.00 C ATOM 904 CZ PHE B 29 67.154 -14.082 0.076 1.00 0.00 C ATOM 0 H PHE B 29 63.812 -8.541 -1.783 1.00 0.00 H new ATOM 0 HA PHE B 29 66.462 -9.496 -1.674 1.00 0.00 H new ATOM 0 HB2 PHE B 29 64.701 -9.963 0.031 1.00 0.00 H new ATOM 0 HB3 PHE B 29 63.790 -10.890 -1.145 1.00 0.00 H new ATOM 0 HD1 PHE B 29 66.998 -10.747 0.741 1.00 0.00 H new ATOM 0 HD2 PHE B 29 64.421 -13.146 -1.721 1.00 0.00 H new ATOM 0 HE1 PHE B 29 68.355 -12.756 1.273 1.00 0.00 H new ATOM 0 HE2 PHE B 29 65.778 -15.151 -1.189 1.00 0.00 H new ATOM 0 HZ PHE B 29 67.745 -14.956 0.308 1.00 0.00 H new ATOM 914 N LEU B 30 64.494 -10.944 -3.903 1.00 0.00 N ATOM 915 CA LEU B 30 64.504 -11.794 -5.088 1.00 0.00 C ATOM 916 C LEU B 30 65.405 -11.202 -6.167 1.00 0.00 C ATOM 917 O LEU B 30 66.161 -11.922 -6.820 1.00 0.00 O ATOM 918 CB LEU B 30 63.081 -11.943 -5.638 1.00 0.00 C ATOM 919 CG LEU B 30 62.205 -12.716 -4.638 1.00 0.00 C ATOM 920 CD1 LEU B 30 60.735 -12.560 -5.039 1.00 0.00 C ATOM 921 CD2 LEU B 30 62.579 -14.211 -4.632 1.00 0.00 C ATOM 0 H LEU B 30 63.582 -10.554 -3.668 1.00 0.00 H new ATOM 0 HA LEU B 30 64.890 -12.773 -4.804 1.00 0.00 H new ATOM 0 HB2 LEU B 30 62.651 -10.959 -5.825 1.00 0.00 H new ATOM 0 HB3 LEU B 30 63.105 -12.468 -6.593 1.00 0.00 H new ATOM 0 HG LEU B 30 62.367 -12.313 -3.638 1.00 0.00 H new ATOM 0 HD11 LEU B 30 60.106 -13.105 -4.335 1.00 0.00 H new ATOM 0 HD12 LEU B 30 60.464 -11.504 -5.025 1.00 0.00 H new ATOM 0 HD13 LEU B 30 60.587 -12.959 -6.042 1.00 0.00 H new ATOM 0 HD21 LEU B 30 61.948 -14.741 -3.918 1.00 0.00 H new ATOM 0 HD22 LEU B 30 62.429 -14.628 -5.628 1.00 0.00 H new ATOM 0 HD23 LEU B 30 63.625 -14.323 -4.345 1.00 0.00 H new ATOM 933 N GLY B 31 65.321 -9.889 -6.350 1.00 0.00 N ATOM 934 CA GLY B 31 66.135 -9.216 -7.355 1.00 0.00 C ATOM 935 C GLY B 31 67.613 -9.537 -7.160 1.00 0.00 C ATOM 936 O GLY B 31 68.299 -8.892 -6.367 1.00 0.00 O ATOM 0 H GLY B 31 64.703 -9.274 -5.821 1.00 0.00 H new ATOM 0 HA2 GLY B 31 65.820 -9.525 -8.351 1.00 0.00 H new ATOM 0 HA3 GLY B 31 65.981 -8.139 -7.292 1.00 0.00 H new ATOM 940 N ARG B 32 68.097 -10.539 -7.888 1.00 0.00 N ATOM 941 CA ARG B 32 69.497 -10.936 -7.786 1.00 0.00 C ATOM 942 C ARG B 32 70.397 -9.902 -8.453 1.00 0.00 C ATOM 943 O ARG B 32 70.689 -9.995 -9.645 1.00 0.00 O ATOM 944 CB ARG B 32 69.703 -12.300 -8.447 1.00 0.00 C ATOM 945 CG ARG B 32 71.152 -12.753 -8.248 1.00 0.00 C ATOM 946 CD ARG B 32 71.331 -14.162 -8.815 1.00 0.00 C ATOM 947 NE ARG B 32 72.658 -14.670 -8.490 1.00 0.00 N ATOM 948 CZ ARG B 32 73.004 -15.921 -8.777 1.00 0.00 C ATOM 949 NH1 ARG B 32 72.149 -16.718 -9.358 1.00 0.00 N ATOM 950 NH2 ARG B 32 74.199 -16.353 -8.479 1.00 0.00 N ATOM 0 H ARG B 32 67.546 -11.086 -8.549 1.00 0.00 H new ATOM 0 HA ARG B 32 69.761 -11.002 -6.730 1.00 0.00 H new ATOM 0 HB2 ARG B 32 69.020 -13.032 -8.015 1.00 0.00 H new ATOM 0 HB3 ARG B 32 69.473 -12.238 -9.511 1.00 0.00 H new ATOM 0 HG2 ARG B 32 71.832 -12.061 -8.745 1.00 0.00 H new ATOM 0 HG3 ARG B 32 71.405 -12.742 -7.188 1.00 0.00 H new ATOM 0 HD2 ARG B 32 70.569 -14.826 -8.406 1.00 0.00 H new ATOM 0 HD3 ARG B 32 71.194 -14.147 -9.896 1.00 0.00 H new ATOM 0 HE ARG B 32 73.333 -14.055 -8.035 1.00 0.00 H new ATOM 0 HH11 ARG B 32 71.215 -16.381 -9.592 1.00 0.00 H new ATOM 0 HH12 ARG B 32 72.415 -17.678 -9.578 1.00 0.00 H new ATOM 0 HH21 ARG B 32 74.868 -15.731 -8.026 1.00 0.00 H new ATOM 0 HH22 ARG B 32 74.464 -17.313 -8.699 1.00 0.00 H new ATOM 964 N LEU B 33 70.834 -8.916 -7.675 1.00 0.00 N ATOM 965 CA LEU B 33 71.702 -7.869 -8.201 1.00 0.00 C ATOM 966 C LEU B 33 71.085 -7.248 -9.452 1.00 0.00 C ATOM 967 CB LEU B 33 73.081 -8.450 -8.541 1.00 0.00 C ATOM 968 CG LEU B 33 73.897 -8.689 -7.258 1.00 0.00 C ATOM 969 CD1 LEU B 33 74.305 -7.350 -6.607 1.00 0.00 C ATOM 970 CD2 LEU B 33 73.067 -9.515 -6.266 1.00 0.00 C ATOM 0 H LEU B 33 70.603 -8.821 -6.686 1.00 0.00 H new ATOM 0 HA LEU B 33 71.815 -7.097 -7.440 1.00 0.00 H new ATOM 0 HB2 LEU B 33 72.963 -9.388 -9.084 1.00 0.00 H new ATOM 0 HB3 LEU B 33 73.618 -7.766 -9.198 1.00 0.00 H new ATOM 0 HG LEU B 33 74.804 -9.233 -7.522 1.00 0.00 H new ATOM 0 HD11 LEU B 33 74.881 -7.546 -5.702 1.00 0.00 H new ATOM 0 HD12 LEU B 33 74.913 -6.776 -7.306 1.00 0.00 H new ATOM 0 HD13 LEU B 33 73.410 -6.782 -6.352 1.00 0.00 H new ATOM 0 HD21 LEU B 33 73.647 -9.683 -5.358 1.00 0.00 H new ATOM 0 HD22 LEU B 33 72.153 -8.975 -6.018 1.00 0.00 H new ATOM 0 HD23 LEU B 33 72.811 -10.474 -6.716 1.00 0.00 H new TER 982 LEU B 33