USER MOD reduce.3.24.130724 H: found=0, std=0, add=660, rem=0, adj=17 USER MOD reduce.3.24.130724 removed 660 hydrogens (31 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 17 SER OG : rot 67:sc= 0.801 USER MOD Set 1.2: A 48 THR OG1 : rot 81:sc= -0.0648 USER MOD Single : A 1 MET CE :methyl 161:sc= -0.102 (180deg=-0.614) USER MOD Single : A 1 MET N :NH3+ -120:sc= 0.192 (180deg=0) USER MOD Single : A 3 THR OG1 : rot 180:sc= 0 USER MOD Single : A 6 THR OG1 : rot -64:sc= 1.27 USER MOD Single : A 7 THR OG1 : rot 180:sc= 0.0427 USER MOD Single : A 21 THR OG1 : rot 180:sc= 0.00632 USER MOD Single : A 24 THR OG1 : rot 180:sc= 0 USER MOD Single : A 27 SER OG : rot 180:sc= -0.0242 USER MOD Single : A 40 TYR OH : rot 70:sc= -0.983 USER MOD Single : A 46 MET CE :methyl -174:sc= -1.68 (180deg=-1.73) USER MOD Single : A 54 SER OG : rot 87:sc= 0.794 USER MOD Single : A 56 TYR OH : rot -93:sc= -0.0648 USER MOD Single : A 59 SER OG : rot 180:sc= 0 USER MOD Single : A 70 THR OG1 : rot 180:sc= -0.726 USER MOD Single : A 79 ASN : amide:sc= -0.505 K(o=-0.51,f=-6!) USER MOD Single : A 87 SXH O33 : rot 29:sc= 0.56 USER MOD ----------------------------------------------------------------- ATOM 1 N MET A 1 19.629 -13.617 0.241 1.00 5.89 N ATOM 2 CA MET A 1 18.695 -12.989 -0.686 1.00 5.39 C ATOM 3 C MET A 1 18.081 -11.793 0.002 1.00 4.66 C ATOM 4 O MET A 1 18.333 -11.572 1.178 1.00 4.91 O ATOM 5 CB MET A 1 17.591 -13.970 -1.143 1.00 5.72 C ATOM 6 CG MET A 1 16.655 -14.456 -0.038 1.00 6.12 C ATOM 7 SD MET A 1 15.335 -15.527 -0.664 1.00 6.79 S ATOM 8 CE MET A 1 16.293 -16.891 -1.336 1.00 7.46 C ATOM 0 H1 MET A 1 20.583 -13.614 -0.172 1.00 5.89 H new ATOM 0 H2 MET A 1 19.638 -13.088 1.136 1.00 5.89 H new ATOM 0 H3 MET A 1 19.333 -14.598 0.421 1.00 5.89 H new ATOM 0 HA MET A 1 19.235 -12.681 -1.581 1.00 5.39 H new ATOM 0 HB2 MET A 1 16.994 -13.486 -1.916 1.00 5.72 H new ATOM 0 HB3 MET A 1 18.065 -14.837 -1.603 1.00 5.72 H new ATOM 0 HG2 MET A 1 17.233 -14.998 0.711 1.00 6.12 H new ATOM 0 HG3 MET A 1 16.212 -13.595 0.463 1.00 6.12 H new ATOM 0 HE1 MET A 1 15.652 -17.765 -1.448 1.00 7.46 H new ATOM 0 HE2 MET A 1 16.695 -16.609 -2.309 1.00 7.46 H new ATOM 0 HE3 MET A 1 17.114 -17.127 -0.659 1.00 7.46 H new ATOM 20 N ALA A 2 17.288 -11.039 -0.701 1.00 4.17 N ATOM 21 CA ALA A 2 16.647 -9.891 -0.124 1.00 3.77 C ATOM 22 C ALA A 2 15.171 -10.173 0.043 1.00 2.58 C ATOM 23 O ALA A 2 14.528 -10.709 -0.866 1.00 2.61 O ATOM 24 CB ALA A 2 16.867 -8.657 -0.990 1.00 4.69 C ATOM 0 H ALA A 2 17.067 -11.199 -1.684 1.00 4.17 H new ATOM 0 HA ALA A 2 17.085 -9.691 0.854 1.00 3.77 H new ATOM 0 HB1 ALA A 2 16.373 -7.799 -0.534 1.00 4.69 H new ATOM 0 HB2 ALA A 2 17.935 -8.458 -1.074 1.00 4.69 H new ATOM 0 HB3 ALA A 2 16.451 -8.830 -1.982 1.00 4.69 H new ATOM 30 N THR A 3 14.660 -9.871 1.196 1.00 2.17 N ATOM 31 CA THR A 3 13.274 -10.036 1.490 1.00 1.65 C ATOM 32 C THR A 3 12.485 -8.909 0.826 1.00 1.51 C ATOM 33 O THR A 3 12.553 -7.754 1.243 1.00 2.34 O ATOM 34 CB THR A 3 13.078 -9.974 3.010 1.00 2.61 C ATOM 35 OG1 THR A 3 13.898 -10.981 3.652 1.00 3.14 O ATOM 36 CG2 THR A 3 11.619 -10.188 3.387 1.00 3.14 C ATOM 0 H THR A 3 15.206 -9.496 1.972 1.00 2.17 H new ATOM 0 HA THR A 3 12.922 -10.997 1.114 1.00 1.65 H new ATOM 0 HB THR A 3 13.378 -8.983 3.350 1.00 2.61 H new ATOM 0 HG1 THR A 3 13.771 -10.936 4.623 1.00 3.14 H new ATOM 0 HG21 THR A 3 11.512 -10.138 4.471 1.00 3.14 H new ATOM 0 HG22 THR A 3 11.007 -9.413 2.926 1.00 3.14 H new ATOM 0 HG23 THR A 3 11.292 -11.166 3.035 1.00 3.14 H new ATOM 44 N LEU A 4 11.802 -9.240 -0.236 1.00 1.02 N ATOM 45 CA LEU A 4 10.986 -8.300 -0.946 1.00 0.89 C ATOM 46 C LEU A 4 9.554 -8.488 -0.498 1.00 0.82 C ATOM 47 O LEU A 4 9.240 -9.481 0.171 1.00 1.00 O ATOM 48 CB LEU A 4 11.123 -8.531 -2.457 1.00 0.93 C ATOM 49 CG LEU A 4 12.549 -8.419 -3.020 1.00 1.05 C ATOM 50 CD1 LEU A 4 12.568 -8.733 -4.504 1.00 1.31 C ATOM 51 CD2 LEU A 4 13.121 -7.034 -2.765 1.00 1.09 C ATOM 0 H LEU A 4 11.798 -10.179 -0.634 1.00 1.02 H new ATOM 0 HA LEU A 4 11.302 -7.279 -0.734 1.00 0.89 H new ATOM 0 HB2 LEU A 4 10.736 -9.523 -2.691 1.00 0.93 H new ATOM 0 HB3 LEU A 4 10.490 -7.811 -2.975 1.00 0.93 H new ATOM 0 HG LEU A 4 13.173 -9.150 -2.506 1.00 1.05 H new ATOM 0 HD11 LEU A 4 13.587 -8.647 -4.881 1.00 1.31 H new ATOM 0 HD12 LEU A 4 12.205 -9.748 -4.666 1.00 1.31 H new ATOM 0 HD13 LEU A 4 11.925 -8.029 -5.033 1.00 1.31 H new ATOM 0 HD21 LEU A 4 14.131 -6.977 -3.172 1.00 1.09 H new ATOM 0 HD22 LEU A 4 12.492 -6.286 -3.248 1.00 1.09 H new ATOM 0 HD23 LEU A 4 13.151 -6.844 -1.692 1.00 1.09 H new ATOM 63 N LEU A 5 8.696 -7.570 -0.830 1.00 0.69 N ATOM 64 CA LEU A 5 7.324 -7.663 -0.422 1.00 0.62 C ATOM 65 C LEU A 5 6.567 -8.392 -1.524 1.00 0.51 C ATOM 66 O LEU A 5 6.749 -8.087 -2.722 1.00 0.50 O ATOM 67 CB LEU A 5 6.749 -6.251 -0.222 1.00 0.64 C ATOM 68 CG LEU A 5 5.458 -6.145 0.579 1.00 0.71 C ATOM 69 CD1 LEU A 5 5.729 -6.464 2.032 1.00 1.14 C ATOM 70 CD2 LEU A 5 4.853 -4.762 0.444 1.00 1.01 C ATOM 0 H LEU A 5 8.922 -6.744 -1.385 1.00 0.69 H new ATOM 0 HA LEU A 5 7.232 -8.204 0.520 1.00 0.62 H new ATOM 0 HB2 LEU A 5 7.506 -5.642 0.271 1.00 0.64 H new ATOM 0 HB3 LEU A 5 6.577 -5.811 -1.204 1.00 0.64 H new ATOM 0 HG LEU A 5 4.742 -6.866 0.184 1.00 0.71 H new ATOM 0 HD11 LEU A 5 4.802 -6.387 2.600 1.00 1.14 H new ATOM 0 HD12 LEU A 5 6.122 -7.477 2.115 1.00 1.14 H new ATOM 0 HD13 LEU A 5 6.458 -5.758 2.430 1.00 1.14 H new ATOM 0 HD21 LEU A 5 3.932 -4.710 1.024 1.00 1.01 H new ATOM 0 HD22 LEU A 5 5.558 -4.018 0.815 1.00 1.01 H new ATOM 0 HD23 LEU A 5 4.633 -4.562 -0.605 1.00 1.01 H new ATOM 82 N THR A 6 5.790 -9.381 -1.168 1.00 0.53 N ATOM 83 CA THR A 6 5.039 -10.080 -2.165 1.00 0.54 C ATOM 84 C THR A 6 3.586 -9.628 -2.150 1.00 0.47 C ATOM 85 O THR A 6 3.215 -8.774 -1.337 1.00 0.45 O ATOM 86 CB THR A 6 5.134 -11.616 -2.014 1.00 0.74 C ATOM 87 OG1 THR A 6 4.574 -12.029 -0.752 1.00 0.84 O ATOM 88 CG2 THR A 6 6.579 -12.083 -2.111 1.00 1.01 C ATOM 0 H THR A 6 5.664 -9.713 -0.212 1.00 0.53 H new ATOM 0 HA THR A 6 5.481 -9.831 -3.130 1.00 0.54 H new ATOM 0 HB THR A 6 4.566 -12.070 -2.826 1.00 0.74 H new ATOM 0 HG1 THR A 6 5.113 -11.663 -0.020 1.00 0.84 H new ATOM 0 HG21 THR A 6 6.619 -13.167 -2.002 1.00 1.01 H new ATOM 0 HG22 THR A 6 6.988 -11.801 -3.081 1.00 1.01 H new ATOM 0 HG23 THR A 6 7.166 -11.617 -1.320 1.00 1.01 H new ATOM 96 N THR A 7 2.781 -10.204 -3.024 1.00 0.53 N ATOM 97 CA THR A 7 1.371 -9.911 -3.136 1.00 0.55 C ATOM 98 C THR A 7 0.675 -10.108 -1.790 1.00 0.49 C ATOM 99 O THR A 7 0.029 -9.195 -1.291 1.00 0.47 O ATOM 100 CB THR A 7 0.760 -10.833 -4.185 1.00 0.73 C ATOM 101 OG1 THR A 7 1.630 -10.822 -5.333 1.00 0.83 O ATOM 102 CG2 THR A 7 -0.621 -10.324 -4.590 1.00 0.95 C ATOM 0 H THR A 7 3.102 -10.906 -3.691 1.00 0.53 H new ATOM 0 HA THR A 7 1.238 -8.872 -3.436 1.00 0.55 H new ATOM 0 HB THR A 7 0.653 -11.842 -3.786 1.00 0.73 H new ATOM 0 HG1 THR A 7 1.264 -11.409 -6.027 1.00 0.83 H new ATOM 0 HG21 THR A 7 -1.049 -10.990 -5.340 1.00 0.95 H new ATOM 0 HG22 THR A 7 -1.270 -10.298 -3.715 1.00 0.95 H new ATOM 0 HG23 THR A 7 -0.531 -9.320 -5.005 1.00 0.95 H new ATOM 110 N ASP A 8 0.832 -11.294 -1.209 1.00 0.57 N ATOM 111 CA ASP A 8 0.233 -11.619 0.090 1.00 0.61 C ATOM 112 C ASP A 8 0.687 -10.654 1.173 1.00 0.54 C ATOM 113 O ASP A 8 -0.126 -10.147 1.930 1.00 0.53 O ATOM 114 CB ASP A 8 0.566 -13.050 0.510 1.00 0.81 C ATOM 115 CG ASP A 8 0.098 -13.373 1.920 1.00 1.41 C ATOM 116 OD1 ASP A 8 -1.076 -13.743 2.106 1.00 1.86 O ATOM 117 OD2 ASP A 8 0.916 -13.276 2.869 1.00 2.14 O ATOM 0 H ASP A 8 1.374 -12.055 -1.619 1.00 0.57 H new ATOM 0 HA ASP A 8 -0.846 -11.526 -0.029 1.00 0.61 H new ATOM 0 HB2 ASP A 8 0.104 -13.746 -0.190 1.00 0.81 H new ATOM 0 HB3 ASP A 8 1.644 -13.201 0.446 1.00 0.81 H new ATOM 122 N ASP A 9 1.980 -10.355 1.197 1.00 0.55 N ATOM 123 CA ASP A 9 2.553 -9.474 2.235 1.00 0.57 C ATOM 124 C ASP A 9 2.002 -8.067 2.093 1.00 0.50 C ATOM 125 O ASP A 9 1.754 -7.372 3.085 1.00 0.57 O ATOM 126 CB ASP A 9 4.082 -9.393 2.155 1.00 0.65 C ATOM 127 CG ASP A 9 4.808 -10.706 2.208 1.00 1.13 C ATOM 128 OD1 ASP A 9 4.520 -11.553 3.081 1.00 1.61 O ATOM 129 OD2 ASP A 9 5.692 -10.920 1.343 1.00 1.61 O ATOM 0 H ASP A 9 2.657 -10.702 0.518 1.00 0.55 H new ATOM 0 HA ASP A 9 2.274 -9.908 3.195 1.00 0.57 H new ATOM 0 HB2 ASP A 9 4.352 -8.887 1.228 1.00 0.65 H new ATOM 0 HB3 ASP A 9 4.438 -8.769 2.975 1.00 0.65 H new ATOM 134 N LEU A 10 1.836 -7.648 0.849 1.00 0.43 N ATOM 135 CA LEU A 10 1.263 -6.361 0.529 1.00 0.43 C ATOM 136 C LEU A 10 -0.200 -6.364 0.943 1.00 0.41 C ATOM 137 O LEU A 10 -0.643 -5.495 1.685 1.00 0.47 O ATOM 138 CB LEU A 10 1.386 -6.099 -0.987 1.00 0.46 C ATOM 139 CG LEU A 10 0.861 -4.751 -1.509 1.00 0.57 C ATOM 140 CD1 LEU A 10 1.682 -3.593 -0.964 1.00 0.88 C ATOM 141 CD2 LEU A 10 0.857 -4.735 -3.029 1.00 0.79 C ATOM 0 H LEU A 10 2.098 -8.198 0.031 1.00 0.43 H new ATOM 0 HA LEU A 10 1.793 -5.572 1.062 1.00 0.43 H new ATOM 0 HB2 LEU A 10 2.438 -6.181 -1.260 1.00 0.46 H new ATOM 0 HB3 LEU A 10 0.857 -6.894 -1.512 1.00 0.46 H new ATOM 0 HG LEU A 10 -0.163 -4.629 -1.157 1.00 0.57 H new ATOM 0 HD11 LEU A 10 1.287 -2.653 -1.350 1.00 0.88 H new ATOM 0 HD12 LEU A 10 1.628 -3.589 0.125 1.00 0.88 H new ATOM 0 HD13 LEU A 10 2.721 -3.705 -1.275 1.00 0.88 H new ATOM 0 HD21 LEU A 10 0.483 -3.774 -3.382 1.00 0.79 H new ATOM 0 HD22 LEU A 10 1.872 -4.886 -3.397 1.00 0.79 H new ATOM 0 HD23 LEU A 10 0.214 -5.533 -3.400 1.00 0.79 H new ATOM 153 N ARG A 11 -0.926 -7.377 0.472 1.00 0.39 N ATOM 154 CA ARG A 11 -2.342 -7.555 0.756 1.00 0.44 C ATOM 155 C ARG A 11 -2.616 -7.506 2.240 1.00 0.44 C ATOM 156 O ARG A 11 -3.514 -6.794 2.670 1.00 0.48 O ATOM 157 CB ARG A 11 -2.870 -8.869 0.170 1.00 0.52 C ATOM 158 CG ARG A 11 -4.377 -9.037 0.322 1.00 0.70 C ATOM 159 CD ARG A 11 -4.870 -10.308 -0.335 1.00 0.85 C ATOM 160 NE ARG A 11 -4.405 -11.531 0.335 1.00 1.22 N ATOM 161 CZ ARG A 11 -4.306 -12.726 -0.260 1.00 1.67 C ATOM 162 NH1 ARG A 11 -4.293 -12.821 -1.575 1.00 2.17 N ATOM 163 NH2 ARG A 11 -4.123 -13.805 0.462 1.00 2.23 N ATOM 0 H ARG A 11 -0.537 -8.106 -0.126 1.00 0.39 H new ATOM 0 HA ARG A 11 -2.868 -6.728 0.279 1.00 0.44 H new ATOM 0 HB2 ARG A 11 -2.611 -8.916 -0.888 1.00 0.52 H new ATOM 0 HB3 ARG A 11 -2.368 -9.704 0.659 1.00 0.52 H new ATOM 0 HG2 ARG A 11 -4.636 -9.051 1.381 1.00 0.70 H new ATOM 0 HG3 ARG A 11 -4.885 -8.179 -0.119 1.00 0.70 H new ATOM 0 HD2 ARG A 11 -5.960 -10.302 -0.348 1.00 0.85 H new ATOM 0 HD3 ARG A 11 -4.539 -10.323 -1.373 1.00 0.85 H new ATOM 0 HE ARG A 11 -4.140 -11.465 1.318 1.00 1.22 H new ATOM 0 HH11 ARG A 11 -4.359 -11.980 -2.148 1.00 2.17 H new ATOM 0 HH12 ARG A 11 -4.217 -13.736 -2.020 1.00 2.17 H new ATOM 0 HH21 ARG A 11 -4.056 -13.734 1.477 1.00 2.23 H new ATOM 0 HH22 ARG A 11 -4.048 -14.715 0.008 1.00 2.23 H new ATOM 177 N ARG A 12 -1.835 -8.260 3.009 1.00 0.47 N ATOM 178 CA ARG A 12 -1.978 -8.299 4.452 1.00 0.54 C ATOM 179 C ARG A 12 -1.834 -6.922 5.071 1.00 0.54 C ATOM 180 O ARG A 12 -2.709 -6.487 5.794 1.00 0.62 O ATOM 181 CB ARG A 12 -1.019 -9.291 5.098 1.00 0.64 C ATOM 182 CG ARG A 12 -1.333 -10.749 4.791 1.00 1.04 C ATOM 183 CD ARG A 12 -0.383 -11.695 5.515 1.00 1.27 C ATOM 184 NE ARG A 12 1.004 -11.560 5.059 1.00 1.78 N ATOM 185 CZ ARG A 12 1.979 -10.930 5.746 1.00 2.34 C ATOM 186 NH1 ARG A 12 1.724 -10.385 6.929 1.00 2.59 N ATOM 187 NH2 ARG A 12 3.196 -10.849 5.263 1.00 3.25 N ATOM 0 H ARG A 12 -1.091 -8.856 2.647 1.00 0.47 H new ATOM 0 HA ARG A 12 -2.991 -8.648 4.652 1.00 0.54 H new ATOM 0 HB2 ARG A 12 -0.005 -9.071 4.763 1.00 0.64 H new ATOM 0 HB3 ARG A 12 -1.037 -9.146 6.178 1.00 0.64 H new ATOM 0 HG2 ARG A 12 -2.359 -10.970 5.084 1.00 1.04 H new ATOM 0 HG3 ARG A 12 -1.265 -10.917 3.716 1.00 1.04 H new ATOM 0 HD2 ARG A 12 -0.430 -11.501 6.587 1.00 1.27 H new ATOM 0 HD3 ARG A 12 -0.713 -12.723 5.362 1.00 1.27 H new ATOM 0 HE ARG A 12 1.249 -11.972 4.158 1.00 1.78 H new ATOM 0 HH11 ARG A 12 0.786 -10.441 7.325 1.00 2.59 H new ATOM 0 HH12 ARG A 12 2.467 -9.910 7.443 1.00 2.59 H new ATOM 0 HH21 ARG A 12 3.414 -11.265 4.358 1.00 3.25 H new ATOM 0 HH22 ARG A 12 3.924 -10.370 5.793 1.00 3.25 H new ATOM 201 N ALA A 13 -0.780 -6.208 4.708 1.00 0.52 N ATOM 202 CA ALA A 13 -0.518 -4.882 5.264 1.00 0.59 C ATOM 203 C ALA A 13 -1.634 -3.907 4.895 1.00 0.59 C ATOM 204 O ALA A 13 -2.080 -3.092 5.724 1.00 0.69 O ATOM 205 CB ALA A 13 0.824 -4.367 4.778 1.00 0.66 C ATOM 0 H ALA A 13 -0.087 -6.523 4.028 1.00 0.52 H new ATOM 0 HA ALA A 13 -0.488 -4.963 6.351 1.00 0.59 H new ATOM 0 HB1 ALA A 13 1.008 -3.378 5.199 1.00 0.66 H new ATOM 0 HB2 ALA A 13 1.612 -5.049 5.096 1.00 0.66 H new ATOM 0 HB3 ALA A 13 0.817 -4.303 3.690 1.00 0.66 H new ATOM 211 N LEU A 14 -2.091 -3.994 3.666 1.00 0.52 N ATOM 212 CA LEU A 14 -3.184 -3.199 3.198 1.00 0.55 C ATOM 213 C LEU A 14 -4.483 -3.560 3.922 1.00 0.58 C ATOM 214 O LEU A 14 -5.175 -2.688 4.407 1.00 0.68 O ATOM 215 CB LEU A 14 -3.316 -3.343 1.682 1.00 0.52 C ATOM 216 CG LEU A 14 -2.386 -2.475 0.793 1.00 0.56 C ATOM 217 CD1 LEU A 14 -2.894 -1.053 0.711 1.00 1.30 C ATOM 218 CD2 LEU A 14 -0.944 -2.444 1.290 1.00 1.05 C ATOM 0 H LEU A 14 -1.706 -4.626 2.964 1.00 0.52 H new ATOM 0 HA LEU A 14 -2.982 -2.152 3.424 1.00 0.55 H new ATOM 0 HB2 LEU A 14 -3.143 -4.389 1.428 1.00 0.52 H new ATOM 0 HB3 LEU A 14 -4.347 -3.115 1.412 1.00 0.52 H new ATOM 0 HG LEU A 14 -2.398 -2.943 -0.191 1.00 0.56 H new ATOM 0 HD11 LEU A 14 -2.226 -0.464 0.083 1.00 1.30 H new ATOM 0 HD12 LEU A 14 -3.895 -1.049 0.280 1.00 1.30 H new ATOM 0 HD13 LEU A 14 -2.927 -0.620 1.711 1.00 1.30 H new ATOM 0 HD21 LEU A 14 -0.344 -1.821 0.627 1.00 1.05 H new ATOM 0 HD22 LEU A 14 -0.916 -2.032 2.299 1.00 1.05 H new ATOM 0 HD23 LEU A 14 -0.541 -3.457 1.300 1.00 1.05 H new ATOM 230 N VAL A 15 -4.795 -4.835 4.034 1.00 0.57 N ATOM 231 CA VAL A 15 -6.010 -5.251 4.727 1.00 0.66 C ATOM 232 C VAL A 15 -5.931 -4.972 6.251 1.00 0.72 C ATOM 233 O VAL A 15 -6.930 -5.000 6.965 1.00 0.91 O ATOM 234 CB VAL A 15 -6.495 -6.705 4.372 1.00 0.70 C ATOM 235 CG1 VAL A 15 -5.577 -7.776 4.899 1.00 0.88 C ATOM 236 CG2 VAL A 15 -7.929 -6.951 4.794 1.00 1.01 C ATOM 0 H VAL A 15 -4.233 -5.600 3.660 1.00 0.57 H new ATOM 0 HA VAL A 15 -6.806 -4.616 4.337 1.00 0.66 H new ATOM 0 HB VAL A 15 -6.458 -6.769 3.285 1.00 0.70 H new ATOM 0 HG11 VAL A 15 -5.965 -8.756 4.622 1.00 0.88 H new ATOM 0 HG12 VAL A 15 -4.583 -7.645 4.472 1.00 0.88 H new ATOM 0 HG13 VAL A 15 -5.518 -7.703 5.985 1.00 0.88 H new ATOM 0 HG21 VAL A 15 -8.217 -7.968 4.528 1.00 1.01 H new ATOM 0 HG22 VAL A 15 -8.019 -6.819 5.872 1.00 1.01 H new ATOM 0 HG23 VAL A 15 -8.584 -6.243 4.286 1.00 1.01 H new ATOM 246 N GLU A 16 -4.728 -4.721 6.737 1.00 0.66 N ATOM 247 CA GLU A 16 -4.540 -4.283 8.106 1.00 0.79 C ATOM 248 C GLU A 16 -4.800 -2.791 8.220 1.00 0.83 C ATOM 249 O GLU A 16 -5.071 -2.287 9.305 1.00 0.98 O ATOM 250 CB GLU A 16 -3.139 -4.582 8.617 1.00 0.94 C ATOM 251 CG GLU A 16 -2.813 -6.047 8.757 1.00 1.08 C ATOM 252 CD GLU A 16 -1.450 -6.256 9.330 1.00 1.28 C ATOM 253 OE1 GLU A 16 -0.476 -6.300 8.580 1.00 1.71 O ATOM 254 OE2 GLU A 16 -1.326 -6.350 10.580 1.00 1.49 O ATOM 0 H GLU A 16 -3.865 -4.814 6.201 1.00 0.66 H new ATOM 0 HA GLU A 16 -5.251 -4.838 8.718 1.00 0.79 H new ATOM 0 HB2 GLU A 16 -2.416 -4.127 7.940 1.00 0.94 H new ATOM 0 HB3 GLU A 16 -3.012 -4.102 9.587 1.00 0.94 H new ATOM 0 HG2 GLU A 16 -3.554 -6.525 9.397 1.00 1.08 H new ATOM 0 HG3 GLU A 16 -2.876 -6.529 7.781 1.00 1.08 H new ATOM 261 N SER A 17 -4.676 -2.090 7.118 1.00 0.77 N ATOM 262 CA SER A 17 -4.922 -0.673 7.099 1.00 0.91 C ATOM 263 C SER A 17 -6.426 -0.400 6.910 1.00 0.95 C ATOM 264 O SER A 17 -7.084 0.138 7.797 1.00 1.24 O ATOM 265 CB SER A 17 -4.104 -0.012 5.987 1.00 0.98 C ATOM 266 OG SER A 17 -2.710 -0.304 6.116 1.00 1.24 O ATOM 0 H SER A 17 -4.404 -2.484 6.218 1.00 0.77 H new ATOM 0 HA SER A 17 -4.613 -0.244 8.052 1.00 0.91 H new ATOM 0 HB2 SER A 17 -4.461 -0.358 5.017 1.00 0.98 H new ATOM 0 HB3 SER A 17 -4.255 1.067 6.016 1.00 0.98 H new ATOM 0 HG SER A 17 -2.560 -1.260 5.958 1.00 1.24 H new ATOM 272 N ALA A 18 -6.964 -0.798 5.771 1.00 0.83 N ATOM 273 CA ALA A 18 -8.373 -0.602 5.486 1.00 0.94 C ATOM 274 C ALA A 18 -9.216 -1.668 6.152 1.00 1.41 C ATOM 275 O ALA A 18 -9.198 -2.839 5.748 1.00 2.05 O ATOM 276 CB ALA A 18 -8.638 -0.569 3.991 1.00 1.05 C ATOM 0 H ALA A 18 -6.443 -1.261 5.026 1.00 0.83 H new ATOM 0 HA ALA A 18 -8.657 0.366 5.898 1.00 0.94 H new ATOM 0 HB1 ALA A 18 -9.703 -0.421 3.813 1.00 1.05 H new ATOM 0 HB2 ALA A 18 -8.078 0.250 3.540 1.00 1.05 H new ATOM 0 HB3 ALA A 18 -8.324 -1.513 3.545 1.00 1.05 H new ATOM 282 N GLY A 19 -9.917 -1.280 7.179 1.00 1.80 N ATOM 283 CA GLY A 19 -10.792 -2.190 7.859 1.00 2.47 C ATOM 284 C GLY A 19 -11.802 -1.450 8.681 1.00 2.48 C ATOM 285 O GLY A 19 -12.991 -1.431 8.359 1.00 3.01 O ATOM 0 H GLY A 19 -9.899 -0.336 7.564 1.00 1.80 H new ATOM 0 HA2 GLY A 19 -11.302 -2.822 7.132 1.00 2.47 H new ATOM 0 HA3 GLY A 19 -10.209 -2.850 8.501 1.00 2.47 H new ATOM 289 N GLU A 20 -11.312 -0.762 9.688 1.00 2.56 N ATOM 290 CA GLU A 20 -12.149 -0.033 10.625 1.00 2.99 C ATOM 291 C GLU A 20 -12.342 1.410 10.165 1.00 3.37 C ATOM 292 O GLU A 20 -12.778 2.288 10.920 1.00 3.90 O ATOM 293 CB GLU A 20 -11.548 -0.106 12.018 1.00 3.57 C ATOM 294 CG GLU A 20 -11.356 -1.535 12.486 1.00 4.14 C ATOM 295 CD GLU A 20 -10.898 -1.632 13.903 1.00 4.54 C ATOM 296 OE1 GLU A 20 -11.739 -1.577 14.819 1.00 4.96 O ATOM 297 OE2 GLU A 20 -9.679 -1.748 14.127 1.00 4.80 O ATOM 0 H GLU A 20 -10.314 -0.690 9.884 1.00 2.56 H new ATOM 0 HA GLU A 20 -13.136 -0.494 10.659 1.00 2.99 H new ATOM 0 HB2 GLU A 20 -10.587 0.409 12.024 1.00 3.57 H new ATOM 0 HB3 GLU A 20 -12.196 0.420 12.719 1.00 3.57 H new ATOM 0 HG2 GLU A 20 -12.296 -2.076 12.377 1.00 4.14 H new ATOM 0 HG3 GLU A 20 -10.628 -2.027 11.841 1.00 4.14 H new ATOM 304 N THR A 21 -12.013 1.631 8.925 1.00 3.68 N ATOM 305 CA THR A 21 -12.242 2.862 8.240 1.00 4.48 C ATOM 306 C THR A 21 -13.262 2.609 7.137 1.00 4.44 C ATOM 307 O THR A 21 -13.307 3.309 6.124 1.00 4.98 O ATOM 308 CB THR A 21 -10.924 3.400 7.668 1.00 5.48 C ATOM 309 OG1 THR A 21 -10.111 2.286 7.202 1.00 5.80 O ATOM 310 CG2 THR A 21 -10.169 4.180 8.722 1.00 6.23 C ATOM 0 H THR A 21 -11.559 0.927 8.343 1.00 3.68 H new ATOM 0 HA THR A 21 -12.631 3.615 8.925 1.00 4.48 H new ATOM 0 HB THR A 21 -11.145 4.067 6.835 1.00 5.48 H new ATOM 0 HG1 THR A 21 -9.269 2.627 6.834 1.00 5.80 H new ATOM 0 HG21 THR A 21 -9.237 4.554 8.299 1.00 6.23 H new ATOM 0 HG22 THR A 21 -10.777 5.019 9.059 1.00 6.23 H new ATOM 0 HG23 THR A 21 -9.948 3.529 9.568 1.00 6.23 H new ATOM 318 N ASP A 22 -14.140 1.645 7.433 1.00 4.14 N ATOM 319 CA ASP A 22 -15.184 1.118 6.546 1.00 4.35 C ATOM 320 C ASP A 22 -14.604 0.750 5.191 1.00 4.02 C ATOM 321 O ASP A 22 -14.612 1.552 4.246 1.00 4.29 O ATOM 322 CB ASP A 22 -16.363 2.081 6.388 1.00 4.92 C ATOM 323 CG ASP A 22 -17.610 1.410 5.842 1.00 5.42 C ATOM 324 OD1 ASP A 22 -17.692 1.196 4.611 1.00 5.76 O ATOM 325 OD2 ASP A 22 -18.522 1.061 6.625 1.00 5.81 O ATOM 0 H ASP A 22 -14.142 1.187 8.345 1.00 4.14 H new ATOM 0 HA ASP A 22 -15.574 0.216 7.018 1.00 4.35 H new ATOM 0 HB2 ASP A 22 -16.592 2.528 7.356 1.00 4.92 H new ATOM 0 HB3 ASP A 22 -16.074 2.894 5.722 1.00 4.92 H new ATOM 330 N GLY A 23 -14.044 -0.422 5.110 1.00 3.87 N ATOM 331 CA GLY A 23 -13.439 -0.843 3.883 1.00 3.86 C ATOM 332 C GLY A 23 -13.388 -2.332 3.759 1.00 3.70 C ATOM 333 O GLY A 23 -12.881 -3.019 4.649 1.00 4.24 O ATOM 0 H GLY A 23 -13.994 -1.097 5.873 1.00 3.87 H new ATOM 0 HA2 GLY A 23 -13.998 -0.429 3.044 1.00 3.86 H new ATOM 0 HA3 GLY A 23 -12.428 -0.440 3.822 1.00 3.86 H new ATOM 337 N THR A 24 -13.943 -2.838 2.694 1.00 3.36 N ATOM 338 CA THR A 24 -13.914 -4.256 2.401 1.00 3.53 C ATOM 339 C THR A 24 -13.444 -4.509 0.948 1.00 2.73 C ATOM 340 O THR A 24 -13.059 -3.557 0.255 1.00 3.11 O ATOM 341 CB THR A 24 -15.294 -4.927 2.678 1.00 4.59 C ATOM 342 OG1 THR A 24 -16.360 -4.156 2.079 1.00 5.10 O ATOM 343 CG2 THR A 24 -15.547 -5.062 4.170 1.00 5.14 C ATOM 0 H THR A 24 -14.434 -2.280 1.995 1.00 3.36 H new ATOM 0 HA THR A 24 -13.191 -4.719 3.073 1.00 3.53 H new ATOM 0 HB THR A 24 -15.272 -5.922 2.234 1.00 4.59 H new ATOM 0 HG1 THR A 24 -17.220 -4.591 2.260 1.00 5.10 H new ATOM 0 HG21 THR A 24 -16.516 -5.533 4.334 1.00 5.14 H new ATOM 0 HG22 THR A 24 -14.765 -5.676 4.618 1.00 5.14 H new ATOM 0 HG23 THR A 24 -15.541 -4.074 4.631 1.00 5.14 H new ATOM 351 N ASP A 25 -13.487 -5.777 0.500 1.00 2.22 N ATOM 352 CA ASP A 25 -13.114 -6.189 -0.887 1.00 2.06 C ATOM 353 C ASP A 25 -11.669 -5.918 -1.220 1.00 1.66 C ATOM 354 O ASP A 25 -11.288 -5.816 -2.396 1.00 1.97 O ATOM 355 CB ASP A 25 -14.039 -5.587 -1.960 1.00 2.79 C ATOM 356 CG ASP A 25 -15.336 -6.330 -2.079 1.00 3.18 C ATOM 357 OD1 ASP A 25 -15.409 -7.339 -2.805 1.00 3.49 O ATOM 358 OD2 ASP A 25 -16.326 -5.912 -1.457 1.00 3.73 O ATOM 0 H ASP A 25 -13.782 -6.558 1.086 1.00 2.22 H new ATOM 0 HA ASP A 25 -13.252 -7.270 -0.900 1.00 2.06 H new ATOM 0 HB2 ASP A 25 -14.242 -4.544 -1.717 1.00 2.79 H new ATOM 0 HB3 ASP A 25 -13.528 -5.597 -2.923 1.00 2.79 H new ATOM 363 N LEU A 26 -10.854 -5.880 -0.204 1.00 1.45 N ATOM 364 CA LEU A 26 -9.453 -5.608 -0.383 1.00 1.10 C ATOM 365 C LEU A 26 -8.667 -6.916 -0.396 1.00 1.10 C ATOM 366 O LEU A 26 -7.554 -6.992 -0.921 1.00 1.60 O ATOM 367 CB LEU A 26 -8.963 -4.655 0.706 1.00 0.99 C ATOM 368 CG LEU A 26 -7.515 -4.180 0.610 1.00 1.10 C ATOM 369 CD1 LEU A 26 -7.253 -3.509 -0.731 1.00 1.49 C ATOM 370 CD2 LEU A 26 -7.235 -3.215 1.730 1.00 1.62 C ATOM 0 H LEU A 26 -11.137 -6.035 0.764 1.00 1.45 H new ATOM 0 HA LEU A 26 -9.293 -5.118 -1.344 1.00 1.10 H new ATOM 0 HB2 LEU A 26 -9.609 -3.777 0.703 1.00 0.99 H new ATOM 0 HB3 LEU A 26 -9.096 -5.145 1.670 1.00 0.99 H new ATOM 0 HG LEU A 26 -6.854 -5.043 0.693 1.00 1.10 H new ATOM 0 HD11 LEU A 26 -6.215 -3.179 -0.776 1.00 1.49 H new ATOM 0 HD12 LEU A 26 -7.444 -4.218 -1.536 1.00 1.49 H new ATOM 0 HD13 LEU A 26 -7.913 -2.648 -0.842 1.00 1.49 H new ATOM 0 HD21 LEU A 26 -6.202 -2.873 1.666 1.00 1.62 H new ATOM 0 HD22 LEU A 26 -7.906 -2.360 1.650 1.00 1.62 H new ATOM 0 HD23 LEU A 26 -7.394 -3.712 2.687 1.00 1.62 H new ATOM 382 N SER A 27 -9.247 -7.942 0.175 1.00 1.08 N ATOM 383 CA SER A 27 -8.641 -9.242 0.140 1.00 1.10 C ATOM 384 C SER A 27 -8.993 -9.921 -1.186 1.00 1.13 C ATOM 385 O SER A 27 -10.077 -10.481 -1.335 1.00 1.60 O ATOM 386 CB SER A 27 -9.107 -10.083 1.327 1.00 1.37 C ATOM 387 OG SER A 27 -8.858 -9.400 2.559 1.00 1.84 O ATOM 0 H SER A 27 -10.138 -7.898 0.669 1.00 1.08 H new ATOM 0 HA SER A 27 -7.558 -9.142 0.213 1.00 1.10 H new ATOM 0 HB2 SER A 27 -10.172 -10.296 1.232 1.00 1.37 H new ATOM 0 HB3 SER A 27 -8.589 -11.042 1.326 1.00 1.37 H new ATOM 0 HG SER A 27 -9.165 -9.953 3.308 1.00 1.84 H new ATOM 393 N GLY A 28 -8.120 -9.773 -2.154 1.00 0.95 N ATOM 394 CA GLY A 28 -8.321 -10.366 -3.455 1.00 1.09 C ATOM 395 C GLY A 28 -7.354 -9.782 -4.452 1.00 0.84 C ATOM 396 O GLY A 28 -6.202 -9.518 -4.105 1.00 1.04 O ATOM 0 H GLY A 28 -7.255 -9.241 -2.063 1.00 0.95 H new ATOM 0 HA2 GLY A 28 -8.184 -11.446 -3.395 1.00 1.09 H new ATOM 0 HA3 GLY A 28 -9.345 -10.193 -3.787 1.00 1.09 H new ATOM 400 N ASP A 29 -7.801 -9.562 -5.660 1.00 0.80 N ATOM 401 CA ASP A 29 -6.961 -8.968 -6.694 1.00 0.86 C ATOM 402 C ASP A 29 -7.138 -7.460 -6.681 1.00 0.77 C ATOM 403 O ASP A 29 -8.256 -6.964 -6.801 1.00 1.01 O ATOM 404 CB ASP A 29 -7.293 -9.555 -8.073 1.00 1.28 C ATOM 405 CG ASP A 29 -6.515 -8.905 -9.193 1.00 1.96 C ATOM 406 OD1 ASP A 29 -5.285 -9.059 -9.244 1.00 2.61 O ATOM 407 OD2 ASP A 29 -7.115 -8.212 -10.046 1.00 2.38 O ATOM 0 H ASP A 29 -8.749 -9.784 -5.964 1.00 0.80 H new ATOM 0 HA ASP A 29 -5.917 -9.202 -6.486 1.00 0.86 H new ATOM 0 HB2 ASP A 29 -7.085 -10.625 -8.066 1.00 1.28 H new ATOM 0 HB3 ASP A 29 -8.360 -9.439 -8.264 1.00 1.28 H new ATOM 412 N PHE A 30 -6.053 -6.733 -6.512 1.00 0.58 N ATOM 413 CA PHE A 30 -6.139 -5.281 -6.340 1.00 0.52 C ATOM 414 C PHE A 30 -4.909 -4.563 -6.896 1.00 0.46 C ATOM 415 O PHE A 30 -4.885 -3.348 -6.956 1.00 0.44 O ATOM 416 CB PHE A 30 -6.293 -4.943 -4.830 1.00 0.56 C ATOM 417 CG PHE A 30 -5.110 -5.370 -3.971 1.00 0.57 C ATOM 418 CD1 PHE A 30 -4.946 -6.694 -3.594 1.00 0.67 C ATOM 419 CD2 PHE A 30 -4.184 -4.442 -3.526 1.00 0.73 C ATOM 420 CE1 PHE A 30 -3.887 -7.076 -2.793 1.00 0.84 C ATOM 421 CE2 PHE A 30 -3.127 -4.817 -2.732 1.00 0.86 C ATOM 422 CZ PHE A 30 -2.929 -6.162 -2.445 1.00 0.89 C ATOM 0 H PHE A 30 -5.106 -7.110 -6.489 1.00 0.58 H new ATOM 0 HA PHE A 30 -7.009 -4.934 -6.898 1.00 0.52 H new ATOM 0 HB2 PHE A 30 -6.436 -3.868 -4.723 1.00 0.56 H new ATOM 0 HB3 PHE A 30 -7.195 -5.424 -4.452 1.00 0.56 H new ATOM 0 HD1 PHE A 30 -5.655 -7.436 -3.931 1.00 0.67 H new ATOM 0 HD2 PHE A 30 -4.294 -3.405 -3.808 1.00 0.73 H new ATOM 0 HE1 PHE A 30 -3.815 -8.095 -2.442 1.00 0.84 H new ATOM 0 HE2 PHE A 30 -2.455 -4.071 -2.334 1.00 0.86 H new ATOM 0 HZ PHE A 30 -2.025 -6.484 -1.950 1.00 0.89 H new ATOM 432 N LEU A 31 -3.901 -5.328 -7.293 1.00 0.48 N ATOM 433 CA LEU A 31 -2.608 -4.813 -7.748 1.00 0.49 C ATOM 434 C LEU A 31 -2.730 -3.737 -8.858 1.00 0.43 C ATOM 435 O LEU A 31 -2.040 -2.708 -8.817 1.00 0.46 O ATOM 436 CB LEU A 31 -1.732 -5.976 -8.219 1.00 0.62 C ATOM 437 CG LEU A 31 -0.297 -5.642 -8.572 1.00 0.73 C ATOM 438 CD1 LEU A 31 0.470 -5.181 -7.339 1.00 1.15 C ATOM 439 CD2 LEU A 31 0.382 -6.829 -9.221 1.00 1.53 C ATOM 0 H LEU A 31 -3.956 -6.346 -7.310 1.00 0.48 H new ATOM 0 HA LEU A 31 -2.143 -4.314 -6.897 1.00 0.49 H new ATOM 0 HB2 LEU A 31 -1.723 -6.735 -7.437 1.00 0.62 H new ATOM 0 HB3 LEU A 31 -2.203 -6.425 -9.093 1.00 0.62 H new ATOM 0 HG LEU A 31 -0.303 -4.821 -9.289 1.00 0.73 H new ATOM 0 HD11 LEU A 31 1.498 -4.947 -7.616 1.00 1.15 H new ATOM 0 HD12 LEU A 31 -0.006 -4.292 -6.926 1.00 1.15 H new ATOM 0 HD13 LEU A 31 0.468 -5.974 -6.591 1.00 1.15 H new ATOM 0 HD21 LEU A 31 1.412 -6.569 -9.467 1.00 1.53 H new ATOM 0 HD22 LEU A 31 0.376 -7.673 -8.532 1.00 1.53 H new ATOM 0 HD23 LEU A 31 -0.152 -7.100 -10.132 1.00 1.53 H new ATOM 451 N ASP A 32 -3.605 -3.978 -9.831 1.00 0.43 N ATOM 452 CA ASP A 32 -3.785 -3.041 -10.964 1.00 0.49 C ATOM 453 C ASP A 32 -4.957 -2.109 -10.726 1.00 0.41 C ATOM 454 O ASP A 32 -5.204 -1.181 -11.512 1.00 0.51 O ATOM 455 CB ASP A 32 -3.997 -3.778 -12.312 1.00 0.68 C ATOM 456 CG ASP A 32 -5.368 -4.429 -12.468 1.00 1.43 C ATOM 457 OD1 ASP A 32 -5.569 -5.545 -11.987 1.00 2.17 O ATOM 458 OD2 ASP A 32 -6.279 -3.808 -13.048 1.00 1.99 O ATOM 0 H ASP A 32 -4.202 -4.804 -9.869 1.00 0.43 H new ATOM 0 HA ASP A 32 -2.862 -2.464 -11.026 1.00 0.49 H new ATOM 0 HB2 ASP A 32 -3.851 -3.068 -13.126 1.00 0.68 H new ATOM 0 HB3 ASP A 32 -3.230 -4.546 -12.417 1.00 0.68 H new ATOM 463 N LEU A 33 -5.669 -2.340 -9.659 1.00 0.36 N ATOM 464 CA LEU A 33 -6.811 -1.531 -9.329 1.00 0.35 C ATOM 465 C LEU A 33 -6.313 -0.327 -8.543 1.00 0.32 C ATOM 466 O LEU A 33 -5.388 -0.449 -7.760 1.00 0.38 O ATOM 467 CB LEU A 33 -7.828 -2.351 -8.528 1.00 0.46 C ATOM 468 CG LEU A 33 -9.199 -1.709 -8.314 1.00 0.70 C ATOM 469 CD1 LEU A 33 -9.870 -1.421 -9.654 1.00 1.56 C ATOM 470 CD2 LEU A 33 -10.076 -2.615 -7.476 1.00 1.56 C ATOM 0 H LEU A 33 -5.476 -3.090 -8.996 1.00 0.36 H new ATOM 0 HA LEU A 33 -7.321 -1.190 -10.230 1.00 0.35 H new ATOM 0 HB2 LEU A 33 -7.973 -3.305 -9.034 1.00 0.46 H new ATOM 0 HB3 LEU A 33 -7.397 -2.571 -7.551 1.00 0.46 H new ATOM 0 HG LEU A 33 -9.060 -0.766 -7.786 1.00 0.70 H new ATOM 0 HD11 LEU A 33 -10.845 -0.964 -9.482 1.00 1.56 H new ATOM 0 HD12 LEU A 33 -9.247 -0.740 -10.234 1.00 1.56 H new ATOM 0 HD13 LEU A 33 -9.998 -2.353 -10.205 1.00 1.56 H new ATOM 0 HD21 LEU A 33 -11.049 -2.146 -7.331 1.00 1.56 H new ATOM 0 HD22 LEU A 33 -10.205 -3.570 -7.986 1.00 1.56 H new ATOM 0 HD23 LEU A 33 -9.606 -2.782 -6.507 1.00 1.56 H new ATOM 482 N ARG A 34 -6.883 0.827 -8.768 1.00 0.39 N ATOM 483 CA ARG A 34 -6.374 2.031 -8.136 1.00 0.49 C ATOM 484 C ARG A 34 -6.838 2.134 -6.693 1.00 0.45 C ATOM 485 O ARG A 34 -7.891 1.589 -6.327 1.00 0.50 O ATOM 486 CB ARG A 34 -6.744 3.320 -8.901 1.00 0.73 C ATOM 487 CG ARG A 34 -6.258 3.418 -10.356 1.00 0.89 C ATOM 488 CD ARG A 34 -7.044 2.511 -11.299 1.00 0.95 C ATOM 489 NE ARG A 34 -8.492 2.756 -11.168 1.00 1.79 N ATOM 490 CZ ARG A 34 -9.298 3.295 -12.075 1.00 2.53 C ATOM 491 NH1 ARG A 34 -8.822 3.713 -13.240 1.00 2.76 N ATOM 492 NH2 ARG A 34 -10.593 3.421 -11.791 1.00 3.48 N ATOM 0 H ARG A 34 -7.691 0.966 -9.375 1.00 0.39 H new ATOM 0 HA ARG A 34 -5.288 1.942 -8.159 1.00 0.49 H new ATOM 0 HB2 ARG A 34 -7.829 3.420 -8.897 1.00 0.73 H new ATOM 0 HB3 ARG A 34 -6.344 4.171 -8.350 1.00 0.73 H new ATOM 0 HG2 ARG A 34 -6.344 4.450 -10.695 1.00 0.89 H new ATOM 0 HG3 ARG A 34 -5.201 3.154 -10.401 1.00 0.89 H new ATOM 0 HD2 ARG A 34 -6.731 2.689 -12.328 1.00 0.95 H new ATOM 0 HD3 ARG A 34 -6.825 1.467 -11.075 1.00 0.95 H new ATOM 0 HE ARG A 34 -8.921 2.482 -10.284 1.00 1.79 H new ATOM 0 HH11 ARG A 34 -7.827 3.622 -13.447 1.00 2.76 H new ATOM 0 HH12 ARG A 34 -9.451 4.126 -13.929 1.00 2.76 H new ATOM 0 HH21 ARG A 34 -10.950 3.106 -10.889 1.00 3.48 H new ATOM 0 HH22 ARG A 34 -11.227 3.833 -12.475 1.00 3.48 H new ATOM 506 N PHE A 35 -6.044 2.818 -5.880 1.00 0.43 N ATOM 507 CA PHE A 35 -6.358 3.065 -4.478 1.00 0.43 C ATOM 508 C PHE A 35 -7.754 3.661 -4.290 1.00 0.48 C ATOM 509 O PHE A 35 -8.487 3.259 -3.384 1.00 0.52 O ATOM 510 CB PHE A 35 -5.288 3.919 -3.792 1.00 0.44 C ATOM 511 CG PHE A 35 -3.979 3.202 -3.573 1.00 0.47 C ATOM 512 CD1 PHE A 35 -3.908 2.119 -2.709 1.00 0.52 C ATOM 513 CD2 PHE A 35 -2.824 3.620 -4.202 1.00 0.53 C ATOM 514 CE1 PHE A 35 -2.713 1.468 -2.487 1.00 0.58 C ATOM 515 CE2 PHE A 35 -1.623 2.972 -3.985 1.00 0.59 C ATOM 516 CZ PHE A 35 -1.567 1.896 -3.126 1.00 0.60 C ATOM 0 H PHE A 35 -5.155 3.221 -6.177 1.00 0.43 H new ATOM 0 HA PHE A 35 -6.360 2.091 -3.989 1.00 0.43 H new ATOM 0 HB2 PHE A 35 -5.107 4.809 -4.394 1.00 0.44 H new ATOM 0 HB3 PHE A 35 -5.670 4.258 -2.829 1.00 0.44 H new ATOM 0 HD1 PHE A 35 -4.801 1.781 -2.204 1.00 0.52 H new ATOM 0 HD2 PHE A 35 -2.859 4.465 -4.873 1.00 0.53 H new ATOM 0 HE1 PHE A 35 -2.674 0.624 -1.814 1.00 0.58 H new ATOM 0 HE2 PHE A 35 -0.729 3.309 -4.488 1.00 0.59 H new ATOM 0 HZ PHE A 35 -0.629 1.389 -2.953 1.00 0.60 H new ATOM 526 N GLU A 36 -8.121 4.594 -5.162 1.00 0.53 N ATOM 527 CA GLU A 36 -9.451 5.227 -5.158 1.00 0.67 C ATOM 528 C GLU A 36 -10.593 4.200 -5.236 1.00 0.73 C ATOM 529 O GLU A 36 -11.677 4.434 -4.718 1.00 0.87 O ATOM 530 CB GLU A 36 -9.584 6.239 -6.310 1.00 0.75 C ATOM 531 CG GLU A 36 -9.320 5.653 -7.696 1.00 1.26 C ATOM 532 CD GLU A 36 -9.555 6.639 -8.813 1.00 1.59 C ATOM 533 OE1 GLU A 36 -8.965 7.731 -8.795 1.00 1.90 O ATOM 534 OE2 GLU A 36 -10.335 6.337 -9.736 1.00 2.04 O ATOM 0 H GLU A 36 -7.506 4.940 -5.899 1.00 0.53 H new ATOM 0 HA GLU A 36 -9.539 5.750 -4.206 1.00 0.67 H new ATOM 0 HB2 GLU A 36 -10.589 6.662 -6.292 1.00 0.75 H new ATOM 0 HB3 GLU A 36 -8.889 7.061 -6.138 1.00 0.75 H new ATOM 0 HG2 GLU A 36 -8.290 5.299 -7.743 1.00 1.26 H new ATOM 0 HG3 GLU A 36 -9.963 4.785 -7.845 1.00 1.26 H new ATOM 541 N ASP A 37 -10.335 3.060 -5.857 1.00 0.70 N ATOM 542 CA ASP A 37 -11.359 2.042 -6.047 1.00 0.83 C ATOM 543 C ASP A 37 -11.412 1.133 -4.839 1.00 0.82 C ATOM 544 O ASP A 37 -12.454 0.566 -4.516 1.00 0.98 O ATOM 545 CB ASP A 37 -11.080 1.194 -7.294 1.00 0.94 C ATOM 546 CG ASP A 37 -10.953 1.993 -8.569 1.00 1.41 C ATOM 547 OD1 ASP A 37 -11.976 2.363 -9.138 1.00 1.71 O ATOM 548 OD2 ASP A 37 -9.815 2.291 -9.012 1.00 2.12 O ATOM 0 H ASP A 37 -9.422 2.815 -6.240 1.00 0.70 H new ATOM 0 HA ASP A 37 -12.313 2.553 -6.177 1.00 0.83 H new ATOM 0 HB2 ASP A 37 -10.160 0.630 -7.138 1.00 0.94 H new ATOM 0 HB3 ASP A 37 -11.883 0.467 -7.412 1.00 0.94 H new ATOM 553 N ILE A 38 -10.293 1.012 -4.153 1.00 0.68 N ATOM 554 CA ILE A 38 -10.209 0.147 -2.984 1.00 0.70 C ATOM 555 C ILE A 38 -10.353 0.920 -1.675 1.00 0.72 C ATOM 556 O ILE A 38 -9.942 0.458 -0.617 1.00 0.82 O ATOM 557 CB ILE A 38 -8.934 -0.748 -2.975 1.00 0.69 C ATOM 558 CG1 ILE A 38 -7.655 0.095 -3.130 1.00 0.63 C ATOM 559 CG2 ILE A 38 -9.030 -1.806 -4.063 1.00 0.80 C ATOM 560 CD1 ILE A 38 -6.363 -0.705 -3.123 1.00 0.75 C ATOM 0 H ILE A 38 -9.427 1.500 -4.382 1.00 0.68 H new ATOM 0 HA ILE A 38 -11.063 -0.526 -3.061 1.00 0.70 H new ATOM 0 HB ILE A 38 -8.874 -1.249 -2.009 1.00 0.69 H new ATOM 0 HG12 ILE A 38 -7.715 0.654 -4.064 1.00 0.63 H new ATOM 0 HG13 ILE A 38 -7.618 0.826 -2.323 1.00 0.63 H new ATOM 0 HG21 ILE A 38 -8.134 -2.426 -4.048 1.00 0.80 H new ATOM 0 HG22 ILE A 38 -9.906 -2.430 -3.887 1.00 0.80 H new ATOM 0 HG23 ILE A 38 -9.119 -1.321 -5.035 1.00 0.80 H new ATOM 0 HD11 ILE A 38 -5.516 -0.029 -3.237 1.00 0.75 H new ATOM 0 HD12 ILE A 38 -6.273 -1.243 -2.179 1.00 0.75 H new ATOM 0 HD13 ILE A 38 -6.372 -1.418 -3.947 1.00 0.75 H new ATOM 572 N GLY A 39 -11.002 2.068 -1.763 1.00 0.75 N ATOM 573 CA GLY A 39 -11.319 2.871 -0.592 1.00 0.87 C ATOM 574 C GLY A 39 -10.124 3.559 0.039 1.00 0.68 C ATOM 575 O GLY A 39 -10.150 3.899 1.224 1.00 0.76 O ATOM 0 H GLY A 39 -11.323 2.470 -2.644 1.00 0.75 H new ATOM 0 HA2 GLY A 39 -12.052 3.628 -0.873 1.00 0.87 H new ATOM 0 HA3 GLY A 39 -11.791 2.232 0.155 1.00 0.87 H new ATOM 579 N TYR A 40 -9.087 3.776 -0.723 1.00 0.55 N ATOM 580 CA TYR A 40 -7.920 4.436 -0.205 1.00 0.52 C ATOM 581 C TYR A 40 -7.858 5.876 -0.575 1.00 0.56 C ATOM 582 O TYR A 40 -7.585 6.237 -1.718 1.00 0.71 O ATOM 583 CB TYR A 40 -6.633 3.726 -0.566 1.00 0.60 C ATOM 584 CG TYR A 40 -6.318 2.606 0.358 1.00 0.55 C ATOM 585 CD1 TYR A 40 -6.797 1.332 0.139 1.00 0.75 C ATOM 586 CD2 TYR A 40 -5.550 2.837 1.480 1.00 0.62 C ATOM 587 CE1 TYR A 40 -6.518 0.322 1.015 1.00 0.94 C ATOM 588 CE2 TYR A 40 -5.262 1.836 2.355 1.00 0.79 C ATOM 589 CZ TYR A 40 -5.747 0.583 2.125 1.00 0.93 C ATOM 590 OH TYR A 40 -5.466 -0.413 3.001 1.00 1.21 O ATOM 0 H TYR A 40 -9.026 3.506 -1.705 1.00 0.55 H new ATOM 0 HA TYR A 40 -8.022 4.386 0.879 1.00 0.52 H new ATOM 0 HB2 TYR A 40 -6.708 3.342 -1.583 1.00 0.60 H new ATOM 0 HB3 TYR A 40 -5.812 4.443 -0.555 1.00 0.60 H new ATOM 0 HD1 TYR A 40 -7.399 1.130 -0.735 1.00 0.75 H new ATOM 0 HD2 TYR A 40 -5.170 3.831 1.667 1.00 0.62 H new ATOM 0 HE1 TYR A 40 -6.899 -0.673 0.838 1.00 0.94 H new ATOM 0 HE2 TYR A 40 -4.654 2.033 3.225 1.00 0.79 H new ATOM 0 HH TYR A 40 -4.850 -1.051 2.584 1.00 1.21 H new ATOM 600 N ASP A 41 -8.196 6.692 0.376 1.00 0.58 N ATOM 601 CA ASP A 41 -8.081 8.125 0.244 1.00 0.77 C ATOM 602 C ASP A 41 -6.722 8.537 0.701 1.00 0.91 C ATOM 603 O ASP A 41 -5.966 7.712 1.233 1.00 1.78 O ATOM 604 CB ASP A 41 -9.136 8.862 1.083 1.00 0.86 C ATOM 605 CG ASP A 41 -10.534 8.695 0.564 1.00 1.62 C ATOM 606 OD1 ASP A 41 -11.050 7.561 0.558 1.00 2.34 O ATOM 607 OD2 ASP A 41 -11.135 9.683 0.124 1.00 2.07 O ATOM 0 H ASP A 41 -8.564 6.386 1.277 1.00 0.58 H new ATOM 0 HA ASP A 41 -8.241 8.387 -0.802 1.00 0.77 H new ATOM 0 HB2 ASP A 41 -9.092 8.498 2.110 1.00 0.86 H new ATOM 0 HB3 ASP A 41 -8.891 9.924 1.110 1.00 0.86 H new ATOM 612 N SER A 42 -6.429 9.796 0.528 1.00 0.59 N ATOM 613 CA SER A 42 -5.184 10.413 0.934 1.00 0.58 C ATOM 614 C SER A 42 -4.828 10.079 2.402 1.00 0.51 C ATOM 615 O SER A 42 -3.689 9.704 2.723 1.00 0.51 O ATOM 616 CB SER A 42 -5.377 11.895 0.778 1.00 0.71 C ATOM 617 OG SER A 42 -6.607 12.269 1.516 1.00 0.97 O ATOM 0 H SER A 42 -7.072 10.451 0.083 1.00 0.59 H new ATOM 0 HA SER A 42 -4.362 10.040 0.322 1.00 0.58 H new ATOM 0 HB2 SER A 42 -4.516 12.436 1.170 1.00 0.71 H new ATOM 0 HB3 SER A 42 -5.467 12.160 -0.275 1.00 0.71 H new ATOM 622 N LEU A 43 -5.825 10.213 3.269 1.00 0.48 N ATOM 623 CA LEU A 43 -5.684 9.953 4.683 1.00 0.51 C ATOM 624 C LEU A 43 -5.297 8.505 4.937 1.00 0.46 C ATOM 625 O LEU A 43 -4.352 8.234 5.657 1.00 0.50 O ATOM 626 CB LEU A 43 -6.974 10.296 5.406 1.00 0.60 C ATOM 627 CG LEU A 43 -6.920 10.203 6.928 1.00 0.76 C ATOM 628 CD1 LEU A 43 -5.812 11.092 7.485 1.00 1.40 C ATOM 629 CD2 LEU A 43 -8.239 10.625 7.489 1.00 1.64 C ATOM 0 H LEU A 43 -6.763 10.509 2.999 1.00 0.48 H new ATOM 0 HA LEU A 43 -4.884 10.584 5.070 1.00 0.51 H new ATOM 0 HB2 LEU A 43 -7.265 11.310 5.132 1.00 0.60 H new ATOM 0 HB3 LEU A 43 -7.759 9.631 5.047 1.00 0.60 H new ATOM 0 HG LEU A 43 -6.706 9.173 7.214 1.00 0.76 H new ATOM 0 HD11 LEU A 43 -5.792 11.010 8.572 1.00 1.40 H new ATOM 0 HD12 LEU A 43 -4.852 10.774 7.079 1.00 1.40 H new ATOM 0 HD13 LEU A 43 -6.000 12.128 7.203 1.00 1.40 H new ATOM 0 HD21 LEU A 43 -8.209 10.561 8.577 1.00 1.64 H new ATOM 0 HD22 LEU A 43 -8.449 11.652 7.191 1.00 1.64 H new ATOM 0 HD23 LEU A 43 -9.023 9.970 7.109 1.00 1.64 H new ATOM 641 N ALA A 44 -5.995 7.588 4.298 1.00 0.44 N ATOM 642 CA ALA A 44 -5.726 6.166 4.458 1.00 0.45 C ATOM 643 C ALA A 44 -4.348 5.809 3.918 1.00 0.41 C ATOM 644 O ALA A 44 -3.641 4.979 4.487 1.00 0.47 O ATOM 645 CB ALA A 44 -6.801 5.337 3.770 1.00 0.51 C ATOM 0 H ALA A 44 -6.760 7.801 3.657 1.00 0.44 H new ATOM 0 HA ALA A 44 -5.742 5.937 5.523 1.00 0.45 H new ATOM 0 HB1 ALA A 44 -6.582 4.277 3.901 1.00 0.51 H new ATOM 0 HB2 ALA A 44 -7.772 5.564 4.209 1.00 0.51 H new ATOM 0 HB3 ALA A 44 -6.819 5.575 2.707 1.00 0.51 H new ATOM 651 N LEU A 45 -3.954 6.472 2.841 1.00 0.39 N ATOM 652 CA LEU A 45 -2.661 6.237 2.228 1.00 0.42 C ATOM 653 C LEU A 45 -1.512 6.605 3.144 1.00 0.41 C ATOM 654 O LEU A 45 -0.525 5.875 3.210 1.00 0.44 O ATOM 655 CB LEU A 45 -2.531 6.941 0.883 1.00 0.50 C ATOM 656 CG LEU A 45 -3.402 6.392 -0.240 1.00 0.61 C ATOM 657 CD1 LEU A 45 -3.191 7.192 -1.504 1.00 1.19 C ATOM 658 CD2 LEU A 45 -3.078 4.929 -0.484 1.00 0.90 C ATOM 0 H LEU A 45 -4.518 7.181 2.373 1.00 0.39 H new ATOM 0 HA LEU A 45 -2.602 5.163 2.049 1.00 0.42 H new ATOM 0 HB2 LEU A 45 -2.771 7.995 1.021 1.00 0.50 H new ATOM 0 HB3 LEU A 45 -1.489 6.890 0.567 1.00 0.50 H new ATOM 0 HG LEU A 45 -4.448 6.475 0.054 1.00 0.61 H new ATOM 0 HD11 LEU A 45 -3.819 6.789 -2.299 1.00 1.19 H new ATOM 0 HD12 LEU A 45 -3.457 8.234 -1.324 1.00 1.19 H new ATOM 0 HD13 LEU A 45 -2.145 7.131 -1.803 1.00 1.19 H new ATOM 0 HD21 LEU A 45 -3.706 4.546 -1.289 1.00 0.90 H new ATOM 0 HD22 LEU A 45 -2.029 4.830 -0.764 1.00 0.90 H new ATOM 0 HD23 LEU A 45 -3.266 4.358 0.425 1.00 0.90 H new ATOM 670 N MET A 46 -1.636 7.715 3.877 1.00 0.42 N ATOM 671 CA MET A 46 -0.562 8.094 4.797 1.00 0.48 C ATOM 672 C MET A 46 -0.485 7.096 5.953 1.00 0.46 C ATOM 673 O MET A 46 0.596 6.840 6.484 1.00 0.53 O ATOM 674 CB MET A 46 -0.673 9.542 5.341 1.00 0.57 C ATOM 675 CG MET A 46 -1.861 9.805 6.255 1.00 0.58 C ATOM 676 SD MET A 46 -1.751 11.375 7.145 1.00 1.46 S ATOM 677 CE MET A 46 -0.254 11.111 8.102 1.00 1.78 C ATOM 0 H MET A 46 -2.437 8.346 3.855 1.00 0.42 H new ATOM 0 HA MET A 46 0.358 8.067 4.214 1.00 0.48 H new ATOM 0 HB2 MET A 46 0.242 9.779 5.884 1.00 0.57 H new ATOM 0 HB3 MET A 46 -0.728 10.227 4.495 1.00 0.57 H new ATOM 0 HG2 MET A 46 -2.775 9.796 5.661 1.00 0.58 H new ATOM 0 HG3 MET A 46 -1.941 8.992 6.977 1.00 0.58 H new ATOM 0 HE1 MET A 46 -0.107 11.947 8.785 1.00 1.78 H new ATOM 0 HE2 MET A 46 -0.346 10.187 8.674 1.00 1.78 H new ATOM 0 HE3 MET A 46 0.600 11.038 7.429 1.00 1.78 H new ATOM 687 N GLU A 47 -1.635 6.522 6.318 1.00 0.44 N ATOM 688 CA GLU A 47 -1.695 5.513 7.363 1.00 0.49 C ATOM 689 C GLU A 47 -0.893 4.295 6.925 1.00 0.47 C ATOM 690 O GLU A 47 0.029 3.870 7.620 1.00 0.51 O ATOM 691 CB GLU A 47 -3.144 5.109 7.673 1.00 0.54 C ATOM 692 CG GLU A 47 -4.044 6.266 8.082 1.00 0.78 C ATOM 693 CD GLU A 47 -5.421 5.817 8.506 1.00 1.06 C ATOM 694 OE1 GLU A 47 -6.306 5.618 7.650 1.00 1.88 O ATOM 695 OE2 GLU A 47 -5.636 5.641 9.727 1.00 1.03 O ATOM 0 H GLU A 47 -2.538 6.745 5.899 1.00 0.44 H new ATOM 0 HA GLU A 47 -1.269 5.931 8.275 1.00 0.49 H new ATOM 0 HB2 GLU A 47 -3.570 4.626 6.794 1.00 0.54 H new ATOM 0 HB3 GLU A 47 -3.139 4.368 8.472 1.00 0.54 H new ATOM 0 HG2 GLU A 47 -3.577 6.811 8.902 1.00 0.78 H new ATOM 0 HG3 GLU A 47 -4.135 6.962 7.248 1.00 0.78 H new ATOM 702 N THR A 48 -1.217 3.794 5.748 1.00 0.45 N ATOM 703 CA THR A 48 -0.545 2.661 5.156 1.00 0.48 C ATOM 704 C THR A 48 0.961 2.949 4.966 1.00 0.44 C ATOM 705 O THR A 48 1.797 2.203 5.471 1.00 0.46 O ATOM 706 CB THR A 48 -1.208 2.347 3.801 1.00 0.54 C ATOM 707 OG1 THR A 48 -2.591 2.095 4.030 1.00 0.63 O ATOM 708 CG2 THR A 48 -0.587 1.124 3.143 1.00 0.65 C ATOM 0 H THR A 48 -1.967 4.172 5.170 1.00 0.45 H new ATOM 0 HA THR A 48 -0.634 1.801 5.820 1.00 0.48 H new ATOM 0 HB THR A 48 -1.063 3.198 3.136 1.00 0.54 H new ATOM 0 HG1 THR A 48 -3.069 2.946 4.115 1.00 0.63 H new ATOM 0 HG21 THR A 48 -1.080 0.934 2.190 1.00 0.65 H new ATOM 0 HG22 THR A 48 0.475 1.302 2.973 1.00 0.65 H new ATOM 0 HG23 THR A 48 -0.710 0.259 3.794 1.00 0.65 H new ATOM 716 N ALA A 49 1.286 4.046 4.279 1.00 0.45 N ATOM 717 CA ALA A 49 2.675 4.405 3.970 1.00 0.48 C ATOM 718 C ALA A 49 3.555 4.470 5.228 1.00 0.44 C ATOM 719 O ALA A 49 4.583 3.791 5.311 1.00 0.45 O ATOM 720 CB ALA A 49 2.730 5.733 3.223 1.00 0.57 C ATOM 0 H ALA A 49 0.598 4.709 3.922 1.00 0.45 H new ATOM 0 HA ALA A 49 3.074 3.615 3.333 1.00 0.48 H new ATOM 0 HB1 ALA A 49 3.768 5.983 3.002 1.00 0.57 H new ATOM 0 HB2 ALA A 49 2.170 5.650 2.291 1.00 0.57 H new ATOM 0 HB3 ALA A 49 2.291 6.516 3.841 1.00 0.57 H new ATOM 726 N ALA A 50 3.113 5.231 6.220 1.00 0.44 N ATOM 727 CA ALA A 50 3.870 5.419 7.457 1.00 0.46 C ATOM 728 C ALA A 50 4.043 4.103 8.215 1.00 0.44 C ATOM 729 O ALA A 50 5.076 3.869 8.876 1.00 0.44 O ATOM 730 CB ALA A 50 3.180 6.449 8.333 1.00 0.56 C ATOM 0 H ALA A 50 2.226 5.734 6.194 1.00 0.44 H new ATOM 0 HA ALA A 50 4.865 5.779 7.194 1.00 0.46 H new ATOM 0 HB1 ALA A 50 3.749 6.584 9.253 1.00 0.56 H new ATOM 0 HB2 ALA A 50 3.120 7.398 7.800 1.00 0.56 H new ATOM 0 HB3 ALA A 50 2.175 6.105 8.576 1.00 0.56 H new ATOM 736 N ARG A 51 3.052 3.243 8.104 1.00 0.46 N ATOM 737 CA ARG A 51 3.075 1.958 8.762 1.00 0.48 C ATOM 738 C ARG A 51 4.077 1.044 8.068 1.00 0.46 C ATOM 739 O ARG A 51 4.873 0.359 8.721 1.00 0.49 O ATOM 740 CB ARG A 51 1.689 1.327 8.725 1.00 0.54 C ATOM 741 CG ARG A 51 1.579 0.031 9.494 1.00 0.78 C ATOM 742 CD ARG A 51 0.205 -0.586 9.337 1.00 0.80 C ATOM 743 NE ARG A 51 -0.870 0.314 9.769 1.00 1.68 N ATOM 744 CZ ARG A 51 -2.117 -0.063 10.034 1.00 2.07 C ATOM 745 NH1 ARG A 51 -2.436 -1.353 10.064 1.00 1.80 N ATOM 746 NH2 ARG A 51 -3.035 0.841 10.312 1.00 3.14 N ATOM 0 H ARG A 51 2.210 3.417 7.555 1.00 0.46 H new ATOM 0 HA ARG A 51 3.373 2.096 9.801 1.00 0.48 H new ATOM 0 HB2 ARG A 51 0.967 2.038 9.127 1.00 0.54 H new ATOM 0 HB3 ARG A 51 1.412 1.145 7.687 1.00 0.54 H new ATOM 0 HG2 ARG A 51 2.337 -0.669 9.142 1.00 0.78 H new ATOM 0 HG3 ARG A 51 1.780 0.214 10.550 1.00 0.78 H new ATOM 0 HD2 ARG A 51 0.049 -0.857 8.293 1.00 0.80 H new ATOM 0 HD3 ARG A 51 0.157 -1.508 9.916 1.00 0.80 H new ATOM 0 HE ARG A 51 -0.644 1.303 9.874 1.00 1.68 H new ATOM 0 HH11 ARG A 51 -1.722 -2.059 9.883 1.00 1.80 H new ATOM 0 HH12 ARG A 51 -3.394 -1.637 10.268 1.00 1.80 H new ATOM 0 HH21 ARG A 51 -2.789 1.831 10.324 1.00 3.14 H new ATOM 0 HH22 ARG A 51 -3.992 0.551 10.515 1.00 3.14 H new ATOM 760 N LEU A 52 4.049 1.064 6.740 1.00 0.44 N ATOM 761 CA LEU A 52 4.933 0.248 5.921 1.00 0.46 C ATOM 762 C LEU A 52 6.382 0.591 6.173 1.00 0.38 C ATOM 763 O LEU A 52 7.223 -0.312 6.283 1.00 0.40 O ATOM 764 CB LEU A 52 4.612 0.408 4.433 1.00 0.55 C ATOM 765 CG LEU A 52 3.222 -0.038 3.987 1.00 0.70 C ATOM 766 CD1 LEU A 52 3.019 0.264 2.523 1.00 0.83 C ATOM 767 CD2 LEU A 52 3.019 -1.514 4.248 1.00 0.80 C ATOM 0 H LEU A 52 3.410 1.649 6.201 1.00 0.44 H new ATOM 0 HA LEU A 52 4.767 -0.792 6.204 1.00 0.46 H new ATOM 0 HB2 LEU A 52 4.735 1.458 4.168 1.00 0.55 H new ATOM 0 HB3 LEU A 52 5.351 -0.154 3.862 1.00 0.55 H new ATOM 0 HG LEU A 52 2.485 0.517 4.568 1.00 0.70 H new ATOM 0 HD11 LEU A 52 2.023 -0.060 2.219 1.00 0.83 H new ATOM 0 HD12 LEU A 52 3.119 1.336 2.355 1.00 0.83 H new ATOM 0 HD13 LEU A 52 3.768 -0.266 1.935 1.00 0.83 H new ATOM 0 HD21 LEU A 52 2.021 -1.807 3.922 1.00 0.80 H new ATOM 0 HD22 LEU A 52 3.764 -2.087 3.696 1.00 0.80 H new ATOM 0 HD23 LEU A 52 3.125 -1.713 5.314 1.00 0.80 H new ATOM 779 N GLU A 53 6.671 1.893 6.283 1.00 0.35 N ATOM 780 CA GLU A 53 8.030 2.362 6.549 1.00 0.33 C ATOM 781 C GLU A 53 8.558 1.760 7.824 1.00 0.34 C ATOM 782 O GLU A 53 9.585 1.086 7.820 1.00 0.41 O ATOM 783 CB GLU A 53 8.104 3.885 6.650 1.00 0.34 C ATOM 784 CG GLU A 53 7.732 4.624 5.389 1.00 0.35 C ATOM 785 CD GLU A 53 7.961 6.105 5.520 1.00 0.42 C ATOM 786 OE1 GLU A 53 7.180 6.774 6.232 1.00 0.59 O ATOM 787 OE2 GLU A 53 8.914 6.630 4.913 1.00 0.49 O ATOM 0 H GLU A 53 5.980 2.638 6.191 1.00 0.35 H new ATOM 0 HA GLU A 53 8.642 2.043 5.705 1.00 0.33 H new ATOM 0 HB2 GLU A 53 7.445 4.214 7.454 1.00 0.34 H new ATOM 0 HB3 GLU A 53 9.118 4.167 6.933 1.00 0.34 H new ATOM 0 HG2 GLU A 53 8.319 4.238 4.555 1.00 0.35 H new ATOM 0 HG3 GLU A 53 6.684 4.438 5.155 1.00 0.35 H new ATOM 794 N SER A 54 7.819 1.961 8.886 1.00 0.36 N ATOM 795 CA SER A 54 8.190 1.504 10.201 1.00 0.43 C ATOM 796 C SER A 54 8.291 -0.033 10.269 1.00 0.42 C ATOM 797 O SER A 54 9.319 -0.585 10.703 1.00 0.48 O ATOM 798 CB SER A 54 7.157 2.019 11.193 1.00 0.55 C ATOM 799 OG SER A 54 6.959 3.423 11.010 1.00 1.22 O ATOM 0 H SER A 54 6.927 2.455 8.860 1.00 0.36 H new ATOM 0 HA SER A 54 9.179 1.892 10.447 1.00 0.43 H new ATOM 0 HB2 SER A 54 6.214 1.490 11.056 1.00 0.55 H new ATOM 0 HB3 SER A 54 7.489 1.820 12.212 1.00 0.55 H new ATOM 0 HG SER A 54 6.272 3.570 10.326 1.00 1.22 H new ATOM 805 N ARG A 55 7.252 -0.714 9.809 1.00 0.44 N ATOM 806 CA ARG A 55 7.191 -2.157 9.896 1.00 0.51 C ATOM 807 C ARG A 55 8.220 -2.863 9.011 1.00 0.56 C ATOM 808 O ARG A 55 8.959 -3.723 9.482 1.00 0.64 O ATOM 809 CB ARG A 55 5.791 -2.690 9.579 1.00 0.60 C ATOM 810 CG ARG A 55 5.715 -4.193 9.719 1.00 0.77 C ATOM 811 CD ARG A 55 4.366 -4.756 9.360 1.00 0.95 C ATOM 812 NE ARG A 55 4.371 -6.205 9.542 1.00 1.51 N ATOM 813 CZ ARG A 55 3.308 -6.982 9.643 1.00 1.97 C ATOM 814 NH1 ARG A 55 2.098 -6.468 9.517 1.00 1.87 N ATOM 815 NH2 ARG A 55 3.476 -8.284 9.840 1.00 2.88 N ATOM 0 H ARG A 55 6.438 -0.284 9.370 1.00 0.44 H new ATOM 0 HA ARG A 55 7.436 -2.387 10.933 1.00 0.51 H new ATOM 0 HB2 ARG A 55 5.066 -2.226 10.248 1.00 0.60 H new ATOM 0 HB3 ARG A 55 5.516 -2.406 8.563 1.00 0.60 H new ATOM 0 HG2 ARG A 55 6.473 -4.649 9.082 1.00 0.77 H new ATOM 0 HG3 ARG A 55 5.954 -4.468 10.746 1.00 0.77 H new ATOM 0 HD2 ARG A 55 3.595 -4.304 9.985 1.00 0.95 H new ATOM 0 HD3 ARG A 55 4.123 -4.511 8.326 1.00 0.95 H new ATOM 0 HE ARG A 55 5.282 -6.660 9.596 1.00 1.51 H new ATOM 0 HH11 ARG A 55 1.984 -5.470 9.341 1.00 1.87 H new ATOM 0 HH12 ARG A 55 1.278 -7.069 9.595 1.00 1.87 H new ATOM 0 HH21 ARG A 55 4.417 -8.672 9.911 1.00 2.88 H new ATOM 0 HH22 ARG A 55 2.664 -8.897 9.920 1.00 2.88 H new ATOM 829 N TYR A 56 8.279 -2.508 7.749 1.00 0.56 N ATOM 830 CA TYR A 56 9.125 -3.245 6.829 1.00 0.67 C ATOM 831 C TYR A 56 10.527 -2.698 6.747 1.00 0.70 C ATOM 832 O TYR A 56 11.453 -3.415 6.387 1.00 0.86 O ATOM 833 CB TYR A 56 8.478 -3.365 5.446 1.00 0.75 C ATOM 834 CG TYR A 56 7.208 -4.183 5.474 1.00 0.85 C ATOM 835 CD1 TYR A 56 7.239 -5.563 5.623 1.00 1.09 C ATOM 836 CD2 TYR A 56 5.977 -3.569 5.336 1.00 0.82 C ATOM 837 CE1 TYR A 56 6.070 -6.305 5.635 1.00 1.24 C ATOM 838 CE2 TYR A 56 4.811 -4.298 5.343 1.00 0.96 C ATOM 839 CZ TYR A 56 4.892 -5.714 5.560 1.00 1.17 C ATOM 840 OH TYR A 56 3.676 -6.383 5.492 1.00 1.33 O ATOM 0 H TYR A 56 7.764 -1.730 7.338 1.00 0.56 H new ATOM 0 HA TYR A 56 9.220 -4.250 7.239 1.00 0.67 H new ATOM 0 HB2 TYR A 56 8.257 -2.369 5.063 1.00 0.75 H new ATOM 0 HB3 TYR A 56 9.186 -3.822 4.755 1.00 0.75 H new ATOM 0 HD1 TYR A 56 8.189 -6.065 5.731 1.00 1.09 H new ATOM 0 HD2 TYR A 56 5.930 -2.496 5.220 1.00 0.82 H new ATOM 0 HE1 TYR A 56 6.123 -7.381 5.707 1.00 1.24 H new ATOM 0 HE2 TYR A 56 3.857 -3.816 5.189 1.00 0.96 H new ATOM 0 HH TYR A 56 3.425 -6.511 4.553 1.00 1.33 H new ATOM 850 N GLY A 57 10.704 -1.474 7.140 1.00 0.61 N ATOM 851 CA GLY A 57 12.013 -0.893 7.075 1.00 0.68 C ATOM 852 C GLY A 57 12.264 -0.302 5.728 1.00 0.72 C ATOM 853 O GLY A 57 13.214 -0.666 5.031 1.00 0.91 O ATOM 0 H GLY A 57 9.972 -0.864 7.504 1.00 0.61 H new ATOM 0 HA2 GLY A 57 12.112 -0.122 7.839 1.00 0.68 H new ATOM 0 HA3 GLY A 57 12.764 -1.653 7.289 1.00 0.68 H new ATOM 857 N VAL A 58 11.403 0.591 5.349 1.00 0.62 N ATOM 858 CA VAL A 58 11.491 1.251 4.075 1.00 0.65 C ATOM 859 C VAL A 58 11.372 2.734 4.267 1.00 0.57 C ATOM 860 O VAL A 58 11.120 3.195 5.383 1.00 0.50 O ATOM 861 CB VAL A 58 10.433 0.768 3.022 1.00 0.67 C ATOM 862 CG1 VAL A 58 10.609 -0.696 2.691 1.00 0.81 C ATOM 863 CG2 VAL A 58 9.012 1.026 3.497 1.00 0.57 C ATOM 0 H VAL A 58 10.610 0.888 5.918 1.00 0.62 H new ATOM 0 HA VAL A 58 12.465 0.986 3.665 1.00 0.65 H new ATOM 0 HB VAL A 58 10.603 1.350 2.116 1.00 0.67 H new ATOM 0 HG11 VAL A 58 9.859 -0.996 1.959 1.00 0.81 H new ATOM 0 HG12 VAL A 58 11.605 -0.859 2.279 1.00 0.81 H new ATOM 0 HG13 VAL A 58 10.490 -1.291 3.597 1.00 0.81 H new ATOM 0 HG21 VAL A 58 8.307 0.678 2.742 1.00 0.57 H new ATOM 0 HG22 VAL A 58 8.837 0.490 4.430 1.00 0.57 H new ATOM 0 HG23 VAL A 58 8.871 2.094 3.660 1.00 0.57 H new ATOM 873 N SER A 59 11.560 3.460 3.214 1.00 0.63 N ATOM 874 CA SER A 59 11.414 4.875 3.229 1.00 0.63 C ATOM 875 C SER A 59 10.508 5.230 2.066 1.00 0.62 C ATOM 876 O SER A 59 10.868 5.016 0.907 1.00 0.73 O ATOM 877 CB SER A 59 12.786 5.540 3.070 1.00 0.83 C ATOM 878 OG SER A 59 13.710 5.047 4.047 1.00 1.41 O ATOM 0 H SER A 59 11.824 3.079 2.305 1.00 0.63 H new ATOM 0 HA SER A 59 10.987 5.224 4.169 1.00 0.63 H new ATOM 0 HB2 SER A 59 13.173 5.349 2.069 1.00 0.83 H new ATOM 0 HB3 SER A 59 12.685 6.620 3.172 1.00 0.83 H new ATOM 0 HG SER A 59 14.579 5.484 3.925 1.00 1.41 H new ATOM 884 N ILE A 60 9.310 5.654 2.376 1.00 0.52 N ATOM 885 CA ILE A 60 8.341 6.008 1.371 1.00 0.53 C ATOM 886 C ILE A 60 8.291 7.511 1.238 1.00 0.59 C ATOM 887 O ILE A 60 7.736 8.192 2.105 1.00 0.67 O ATOM 888 CB ILE A 60 6.918 5.469 1.700 1.00 0.51 C ATOM 889 CG1 ILE A 60 6.957 3.945 1.870 1.00 0.50 C ATOM 890 CG2 ILE A 60 5.924 5.861 0.595 1.00 0.57 C ATOM 891 CD1 ILE A 60 5.624 3.326 2.218 1.00 0.55 C ATOM 0 H ILE A 60 8.978 5.764 3.334 1.00 0.52 H new ATOM 0 HA ILE A 60 8.654 5.547 0.434 1.00 0.53 H new ATOM 0 HB ILE A 60 6.584 5.917 2.636 1.00 0.51 H new ATOM 0 HG12 ILE A 60 7.323 3.497 0.946 1.00 0.50 H new ATOM 0 HG13 ILE A 60 7.675 3.696 2.651 1.00 0.50 H new ATOM 0 HG21 ILE A 60 4.935 5.476 0.842 1.00 0.57 H new ATOM 0 HG22 ILE A 60 5.880 6.947 0.513 1.00 0.57 H new ATOM 0 HG23 ILE A 60 6.251 5.439 -0.355 1.00 0.57 H new ATOM 0 HD11 ILE A 60 5.739 2.247 2.320 1.00 0.55 H new ATOM 0 HD12 ILE A 60 5.264 3.743 3.158 1.00 0.55 H new ATOM 0 HD13 ILE A 60 4.906 3.541 1.427 1.00 0.55 H new ATOM 903 N PRO A 61 8.904 8.063 0.196 1.00 0.62 N ATOM 904 CA PRO A 61 8.886 9.494 -0.040 1.00 0.71 C ATOM 905 C PRO A 61 7.455 9.970 -0.255 1.00 0.65 C ATOM 906 O PRO A 61 6.702 9.374 -1.043 1.00 0.57 O ATOM 907 CB PRO A 61 9.721 9.657 -1.311 1.00 0.78 C ATOM 908 CG PRO A 61 10.530 8.417 -1.397 1.00 0.77 C ATOM 909 CD PRO A 61 9.661 7.347 -0.839 1.00 0.64 C ATOM 0 HA PRO A 61 9.278 10.078 0.793 1.00 0.71 H new ATOM 0 HB2 PRO A 61 9.086 9.776 -2.189 1.00 0.78 H new ATOM 0 HB3 PRO A 61 10.357 10.541 -1.256 1.00 0.78 H new ATOM 0 HG2 PRO A 61 10.810 8.200 -2.428 1.00 0.77 H new ATOM 0 HG3 PRO A 61 11.455 8.510 -0.828 1.00 0.77 H new ATOM 0 HD2 PRO A 61 9.006 6.918 -1.598 1.00 0.64 H new ATOM 0 HD3 PRO A 61 10.244 6.527 -0.421 1.00 0.64 H new ATOM 917 N ASP A 62 7.080 11.016 0.455 1.00 0.75 N ATOM 918 CA ASP A 62 5.712 11.560 0.430 1.00 0.78 C ATOM 919 C ASP A 62 5.272 11.994 -0.963 1.00 0.68 C ATOM 920 O ASP A 62 4.088 11.921 -1.295 1.00 0.67 O ATOM 921 CB ASP A 62 5.511 12.689 1.465 1.00 0.99 C ATOM 922 CG ASP A 62 6.374 13.912 1.240 1.00 1.34 C ATOM 923 OD1 ASP A 62 7.575 13.871 1.533 1.00 1.88 O ATOM 924 OD2 ASP A 62 5.861 14.923 0.702 1.00 2.03 O ATOM 0 H ASP A 62 7.711 11.525 1.074 1.00 0.75 H new ATOM 0 HA ASP A 62 5.061 10.735 0.720 1.00 0.78 H new ATOM 0 HB2 ASP A 62 4.464 12.992 1.453 1.00 0.99 H new ATOM 0 HB3 ASP A 62 5.717 12.293 2.459 1.00 0.99 H new ATOM 929 N ASP A 63 6.225 12.359 -1.806 1.00 0.67 N ATOM 930 CA ASP A 63 5.903 12.743 -3.181 1.00 0.67 C ATOM 931 C ASP A 63 5.511 11.506 -3.982 1.00 0.58 C ATOM 932 O ASP A 63 4.620 11.550 -4.840 1.00 0.60 O ATOM 933 CB ASP A 63 7.095 13.435 -3.847 1.00 0.85 C ATOM 934 CG ASP A 63 6.834 13.779 -5.294 1.00 1.44 C ATOM 935 OD1 ASP A 63 6.242 14.844 -5.574 1.00 1.95 O ATOM 936 OD2 ASP A 63 7.207 12.993 -6.190 1.00 2.23 O ATOM 0 H ASP A 63 7.217 12.399 -1.572 1.00 0.67 H new ATOM 0 HA ASP A 63 5.068 13.443 -3.158 1.00 0.67 H new ATOM 0 HB2 ASP A 63 7.334 14.346 -3.298 1.00 0.85 H new ATOM 0 HB3 ASP A 63 7.969 12.786 -3.784 1.00 0.85 H new ATOM 941 N VAL A 64 6.126 10.390 -3.638 1.00 0.60 N ATOM 942 CA VAL A 64 5.856 9.123 -4.286 1.00 0.64 C ATOM 943 C VAL A 64 4.545 8.558 -3.767 1.00 0.60 C ATOM 944 O VAL A 64 3.772 7.982 -4.519 1.00 0.58 O ATOM 945 CB VAL A 64 7.004 8.106 -4.056 1.00 0.84 C ATOM 946 CG1 VAL A 64 6.702 6.765 -4.716 1.00 0.97 C ATOM 947 CG2 VAL A 64 8.298 8.667 -4.595 1.00 0.98 C ATOM 0 H VAL A 64 6.828 10.338 -2.900 1.00 0.60 H new ATOM 0 HA VAL A 64 5.783 9.298 -5.359 1.00 0.64 H new ATOM 0 HB VAL A 64 7.097 7.937 -2.983 1.00 0.84 H new ATOM 0 HG11 VAL A 64 7.527 6.076 -4.535 1.00 0.97 H new ATOM 0 HG12 VAL A 64 5.785 6.351 -4.296 1.00 0.97 H new ATOM 0 HG13 VAL A 64 6.577 6.908 -5.789 1.00 0.97 H new ATOM 0 HG21 VAL A 64 9.102 7.949 -4.431 1.00 0.98 H new ATOM 0 HG22 VAL A 64 8.195 8.859 -5.663 1.00 0.98 H new ATOM 0 HG23 VAL A 64 8.533 9.599 -4.080 1.00 0.98 H new ATOM 957 N ALA A 65 4.279 8.777 -2.491 1.00 0.72 N ATOM 958 CA ALA A 65 3.029 8.335 -1.872 1.00 0.85 C ATOM 959 C ALA A 65 1.825 8.981 -2.569 1.00 0.80 C ATOM 960 O ALA A 65 0.756 8.391 -2.666 1.00 0.90 O ATOM 961 CB ALA A 65 3.027 8.662 -0.383 1.00 1.09 C ATOM 0 H ALA A 65 4.913 9.261 -1.855 1.00 0.72 H new ATOM 0 HA ALA A 65 2.951 7.254 -1.986 1.00 0.85 H new ATOM 0 HB1 ALA A 65 2.090 8.327 0.062 1.00 1.09 H new ATOM 0 HB2 ALA A 65 3.861 8.155 0.102 1.00 1.09 H new ATOM 0 HB3 ALA A 65 3.128 9.739 -0.247 1.00 1.09 H new ATOM 967 N GLY A 66 2.030 10.182 -3.080 1.00 0.73 N ATOM 968 CA GLY A 66 0.985 10.862 -3.793 1.00 0.81 C ATOM 969 C GLY A 66 0.966 10.529 -5.278 1.00 0.73 C ATOM 970 O GLY A 66 0.019 10.887 -5.982 1.00 0.92 O ATOM 0 H GLY A 66 2.908 10.697 -3.011 1.00 0.73 H new ATOM 0 HA2 GLY A 66 0.022 10.599 -3.355 1.00 0.81 H new ATOM 0 HA3 GLY A 66 1.108 11.938 -3.669 1.00 0.81 H new ATOM 974 N ARG A 67 1.992 9.835 -5.763 1.00 0.56 N ATOM 975 CA ARG A 67 2.078 9.534 -7.193 1.00 0.61 C ATOM 976 C ARG A 67 1.573 8.121 -7.486 1.00 0.58 C ATOM 977 O ARG A 67 1.267 7.793 -8.625 1.00 0.79 O ATOM 978 CB ARG A 67 3.527 9.681 -7.736 1.00 0.63 C ATOM 979 CG ARG A 67 4.419 8.447 -7.556 1.00 0.57 C ATOM 980 CD ARG A 67 5.802 8.654 -8.148 1.00 0.87 C ATOM 981 NE ARG A 67 6.552 7.386 -8.250 1.00 1.64 N ATOM 982 CZ ARG A 67 7.889 7.274 -8.345 1.00 2.30 C ATOM 983 NH1 ARG A 67 8.671 8.352 -8.243 1.00 2.40 N ATOM 984 NH2 ARG A 67 8.448 6.073 -8.525 1.00 3.30 N ATOM 0 H ARG A 67 2.763 9.475 -5.201 1.00 0.56 H new ATOM 0 HA ARG A 67 1.445 10.261 -7.701 1.00 0.61 H new ATOM 0 HB2 ARG A 67 3.477 9.922 -8.798 1.00 0.63 H new ATOM 0 HB3 ARG A 67 4.000 10.528 -7.239 1.00 0.63 H new ATOM 0 HG2 ARG A 67 4.510 8.217 -6.494 1.00 0.57 H new ATOM 0 HG3 ARG A 67 3.947 7.586 -8.030 1.00 0.57 H new ATOM 0 HD2 ARG A 67 5.710 9.102 -9.137 1.00 0.87 H new ATOM 0 HD3 ARG A 67 6.360 9.357 -7.530 1.00 0.87 H new ATOM 0 HE ARG A 67 6.010 6.522 -8.248 1.00 1.64 H new ATOM 0 HH11 ARG A 67 8.255 9.271 -8.092 1.00 2.40 H new ATOM 0 HH12 ARG A 67 9.684 8.256 -8.316 1.00 2.40 H new ATOM 0 HH21 ARG A 67 7.861 5.242 -8.590 1.00 3.30 H new ATOM 0 HH22 ARG A 67 9.462 5.988 -8.597 1.00 3.30 H new ATOM 998 N VAL A 68 1.489 7.299 -6.461 1.00 0.45 N ATOM 999 CA VAL A 68 1.124 5.907 -6.639 1.00 0.45 C ATOM 1000 C VAL A 68 -0.396 5.733 -6.691 1.00 0.46 C ATOM 1001 O VAL A 68 -1.105 5.939 -5.709 1.00 0.53 O ATOM 1002 CB VAL A 68 1.795 4.972 -5.556 1.00 0.53 C ATOM 1003 CG1 VAL A 68 3.305 5.014 -5.687 1.00 1.45 C ATOM 1004 CG2 VAL A 68 1.417 5.338 -4.127 1.00 0.85 C ATOM 0 H VAL A 68 1.669 7.570 -5.494 1.00 0.45 H new ATOM 0 HA VAL A 68 1.519 5.589 -7.604 1.00 0.45 H new ATOM 0 HB VAL A 68 1.418 3.968 -5.751 1.00 0.53 H new ATOM 0 HG11 VAL A 68 3.754 4.365 -4.935 1.00 1.45 H new ATOM 0 HG12 VAL A 68 3.594 4.671 -6.681 1.00 1.45 H new ATOM 0 HG13 VAL A 68 3.655 6.036 -5.540 1.00 1.45 H new ATOM 0 HG21 VAL A 68 1.911 4.657 -3.434 1.00 0.85 H new ATOM 0 HG22 VAL A 68 1.732 6.360 -3.918 1.00 0.85 H new ATOM 0 HG23 VAL A 68 0.337 5.259 -4.005 1.00 0.85 H new ATOM 1014 N ASP A 69 -0.889 5.418 -7.868 1.00 0.47 N ATOM 1015 CA ASP A 69 -2.325 5.226 -8.079 1.00 0.53 C ATOM 1016 C ASP A 69 -2.681 3.797 -7.807 1.00 0.42 C ATOM 1017 O ASP A 69 -3.716 3.499 -7.232 1.00 0.48 O ATOM 1018 CB ASP A 69 -2.736 5.538 -9.530 1.00 0.71 C ATOM 1019 CG ASP A 69 -2.538 6.971 -9.947 1.00 1.34 C ATOM 1020 OD1 ASP A 69 -1.396 7.370 -10.212 1.00 2.04 O ATOM 1021 OD2 ASP A 69 -3.521 7.746 -9.955 1.00 1.82 O ATOM 0 H ASP A 69 -0.321 5.286 -8.705 1.00 0.47 H new ATOM 0 HA ASP A 69 -2.846 5.905 -7.404 1.00 0.53 H new ATOM 0 HB2 ASP A 69 -2.164 4.897 -10.201 1.00 0.71 H new ATOM 0 HB3 ASP A 69 -3.787 5.278 -9.659 1.00 0.71 H new ATOM 1026 N THR A 70 -1.827 2.910 -8.224 1.00 0.35 N ATOM 1027 CA THR A 70 -2.045 1.513 -8.036 1.00 0.29 C ATOM 1028 C THR A 70 -1.070 0.958 -6.998 1.00 0.26 C ATOM 1029 O THR A 70 0.046 1.498 -6.827 1.00 0.29 O ATOM 1030 CB THR A 70 -1.882 0.762 -9.377 1.00 0.37 C ATOM 1031 OG1 THR A 70 -0.640 1.141 -9.994 1.00 0.50 O ATOM 1032 CG2 THR A 70 -3.031 1.077 -10.314 1.00 0.39 C ATOM 0 H THR A 70 -0.958 3.139 -8.705 1.00 0.35 H new ATOM 0 HA THR A 70 -3.062 1.365 -7.673 1.00 0.29 H new ATOM 0 HB THR A 70 -1.882 -0.309 -9.176 1.00 0.37 H new ATOM 0 HG1 THR A 70 -0.537 0.663 -10.843 1.00 0.50 H new ATOM 0 HG21 THR A 70 -2.895 0.537 -11.251 1.00 0.39 H new ATOM 0 HG22 THR A 70 -3.970 0.772 -9.853 1.00 0.39 H new ATOM 0 HG23 THR A 70 -3.055 2.148 -10.513 1.00 0.39 H new ATOM 1040 N PRO A 71 -1.467 -0.110 -6.263 1.00 0.27 N ATOM 1041 CA PRO A 71 -0.591 -0.796 -5.308 1.00 0.31 C ATOM 1042 C PRO A 71 0.665 -1.318 -5.997 1.00 0.32 C ATOM 1043 O PRO A 71 1.688 -1.510 -5.361 1.00 0.37 O ATOM 1044 CB PRO A 71 -1.447 -1.959 -4.806 1.00 0.34 C ATOM 1045 CG PRO A 71 -2.840 -1.492 -5.003 1.00 0.34 C ATOM 1046 CD PRO A 71 -2.816 -0.697 -6.268 1.00 0.30 C ATOM 0 HA PRO A 71 -0.247 -0.140 -4.508 1.00 0.31 H new ATOM 0 HB2 PRO A 71 -1.249 -2.872 -5.368 1.00 0.34 H new ATOM 0 HB3 PRO A 71 -1.245 -2.180 -3.758 1.00 0.34 H new ATOM 0 HG2 PRO A 71 -3.529 -2.333 -5.080 1.00 0.34 H new ATOM 0 HG3 PRO A 71 -3.173 -0.883 -4.162 1.00 0.34 H new ATOM 0 HD2 PRO A 71 -2.980 -1.326 -7.143 1.00 0.30 H new ATOM 0 HD3 PRO A 71 -3.590 0.070 -6.278 1.00 0.30 H new ATOM 1054 N ARG A 72 0.553 -1.538 -7.311 1.00 0.32 N ATOM 1055 CA ARG A 72 1.664 -1.927 -8.182 1.00 0.38 C ATOM 1056 C ARG A 72 2.862 -0.993 -7.954 1.00 0.35 C ATOM 1057 O ARG A 72 3.984 -1.436 -7.658 1.00 0.36 O ATOM 1058 CB ARG A 72 1.210 -1.801 -9.644 1.00 0.45 C ATOM 1059 CG ARG A 72 2.270 -2.156 -10.670 1.00 0.88 C ATOM 1060 CD ARG A 72 1.856 -1.735 -12.072 1.00 0.81 C ATOM 1061 NE ARG A 72 0.618 -2.380 -12.534 1.00 0.86 N ATOM 1062 CZ ARG A 72 -0.172 -1.906 -13.511 1.00 1.05 C ATOM 1063 NH1 ARG A 72 0.008 -0.686 -13.988 1.00 1.48 N ATOM 1064 NH2 ARG A 72 -1.186 -2.635 -13.946 1.00 1.55 N ATOM 0 H ARG A 72 -0.333 -1.448 -7.808 1.00 0.32 H new ATOM 0 HA ARG A 72 1.958 -2.952 -7.958 1.00 0.38 H new ATOM 0 HB2 ARG A 72 0.344 -2.445 -9.798 1.00 0.45 H new ATOM 0 HB3 ARG A 72 0.881 -0.777 -9.821 1.00 0.45 H new ATOM 0 HG2 ARG A 72 3.209 -1.670 -10.406 1.00 0.88 H new ATOM 0 HG3 ARG A 72 2.450 -3.231 -10.651 1.00 0.88 H new ATOM 0 HD2 ARG A 72 1.723 -0.653 -12.094 1.00 0.81 H new ATOM 0 HD3 ARG A 72 2.661 -1.972 -12.767 1.00 0.81 H new ATOM 0 HE ARG A 72 0.339 -3.250 -12.080 1.00 0.86 H new ATOM 0 HH11 ARG A 72 0.752 -0.097 -13.614 1.00 1.48 H new ATOM 0 HH12 ARG A 72 -0.597 -0.334 -14.730 1.00 1.48 H new ATOM 0 HH21 ARG A 72 -1.365 -3.553 -13.540 1.00 1.55 H new ATOM 0 HH22 ARG A 72 -1.789 -2.279 -14.688 1.00 1.55 H new ATOM 1078 N GLU A 73 2.579 0.292 -8.040 1.00 0.34 N ATOM 1079 CA GLU A 73 3.567 1.349 -7.910 1.00 0.36 C ATOM 1080 C GLU A 73 4.143 1.383 -6.504 1.00 0.32 C ATOM 1081 O GLU A 73 5.356 1.553 -6.307 1.00 0.35 O ATOM 1082 CB GLU A 73 2.895 2.677 -8.199 1.00 0.42 C ATOM 1083 CG GLU A 73 2.233 2.754 -9.545 1.00 0.60 C ATOM 1084 CD GLU A 73 3.214 2.630 -10.657 1.00 1.37 C ATOM 1085 OE1 GLU A 73 3.821 3.638 -11.018 1.00 1.78 O ATOM 1086 OE2 GLU A 73 3.394 1.530 -11.194 1.00 2.18 O ATOM 0 H GLU A 73 1.635 0.640 -8.206 1.00 0.34 H new ATOM 0 HA GLU A 73 4.379 1.163 -8.613 1.00 0.36 H new ATOM 0 HB2 GLU A 73 2.148 2.869 -7.428 1.00 0.42 H new ATOM 0 HB3 GLU A 73 3.639 3.471 -8.127 1.00 0.42 H new ATOM 0 HG2 GLU A 73 1.488 1.962 -9.629 1.00 0.60 H new ATOM 0 HG3 GLU A 73 1.702 3.702 -9.634 1.00 0.60 H new ATOM 1093 N LEU A 74 3.265 1.216 -5.537 1.00 0.31 N ATOM 1094 CA LEU A 74 3.633 1.253 -4.143 1.00 0.32 C ATOM 1095 C LEU A 74 4.533 0.049 -3.810 1.00 0.30 C ATOM 1096 O LEU A 74 5.553 0.203 -3.147 1.00 0.31 O ATOM 1097 CB LEU A 74 2.337 1.327 -3.272 1.00 0.36 C ATOM 1098 CG LEU A 74 2.472 1.572 -1.746 1.00 0.39 C ATOM 1099 CD1 LEU A 74 2.953 0.338 -1.012 1.00 0.44 C ATOM 1100 CD2 LEU A 74 3.400 2.757 -1.474 1.00 0.44 C ATOM 0 H LEU A 74 2.272 1.050 -5.700 1.00 0.31 H new ATOM 0 HA LEU A 74 4.219 2.144 -3.917 1.00 0.32 H new ATOM 0 HB2 LEU A 74 1.711 2.121 -3.679 1.00 0.36 H new ATOM 0 HB3 LEU A 74 1.794 0.392 -3.409 1.00 0.36 H new ATOM 0 HG LEU A 74 1.478 1.807 -1.365 1.00 0.39 H new ATOM 0 HD11 LEU A 74 3.033 0.556 0.053 1.00 0.44 H new ATOM 0 HD12 LEU A 74 2.243 -0.475 -1.164 1.00 0.44 H new ATOM 0 HD13 LEU A 74 3.930 0.044 -1.396 1.00 0.44 H new ATOM 0 HD21 LEU A 74 3.483 2.915 -0.399 1.00 0.44 H new ATOM 0 HD22 LEU A 74 4.387 2.549 -1.888 1.00 0.44 H new ATOM 0 HD23 LEU A 74 2.992 3.653 -1.942 1.00 0.44 H new ATOM 1112 N LEU A 75 4.158 -1.126 -4.312 1.00 0.29 N ATOM 1113 CA LEU A 75 4.920 -2.362 -4.131 1.00 0.30 C ATOM 1114 C LEU A 75 6.344 -2.171 -4.641 1.00 0.29 C ATOM 1115 O LEU A 75 7.311 -2.530 -3.969 1.00 0.30 O ATOM 1116 CB LEU A 75 4.241 -3.516 -4.890 1.00 0.33 C ATOM 1117 CG LEU A 75 4.876 -4.903 -4.740 1.00 0.37 C ATOM 1118 CD1 LEU A 75 4.811 -5.371 -3.299 1.00 0.41 C ATOM 1119 CD2 LEU A 75 4.195 -5.907 -5.657 1.00 0.45 C ATOM 0 H LEU A 75 3.308 -1.249 -4.862 1.00 0.29 H new ATOM 0 HA LEU A 75 4.951 -2.608 -3.070 1.00 0.30 H new ATOM 0 HB2 LEU A 75 3.204 -3.578 -4.559 1.00 0.33 H new ATOM 0 HB3 LEU A 75 4.223 -3.262 -5.950 1.00 0.33 H new ATOM 0 HG LEU A 75 5.924 -4.829 -5.029 1.00 0.37 H new ATOM 0 HD11 LEU A 75 5.267 -6.357 -3.216 1.00 0.41 H new ATOM 0 HD12 LEU A 75 5.349 -4.668 -2.663 1.00 0.41 H new ATOM 0 HD13 LEU A 75 3.770 -5.425 -2.981 1.00 0.41 H new ATOM 0 HD21 LEU A 75 4.661 -6.885 -5.535 1.00 0.45 H new ATOM 0 HD22 LEU A 75 3.137 -5.974 -5.402 1.00 0.45 H new ATOM 0 HD23 LEU A 75 4.298 -5.582 -6.692 1.00 0.45 H new ATOM 1131 N ASP A 76 6.452 -1.569 -5.820 1.00 0.31 N ATOM 1132 CA ASP A 76 7.743 -1.263 -6.440 1.00 0.34 C ATOM 1133 C ASP A 76 8.599 -0.388 -5.527 1.00 0.32 C ATOM 1134 O ASP A 76 9.786 -0.660 -5.323 1.00 0.34 O ATOM 1135 CB ASP A 76 7.540 -0.583 -7.797 1.00 0.45 C ATOM 1136 CG ASP A 76 8.832 -0.095 -8.421 1.00 0.78 C ATOM 1137 OD1 ASP A 76 9.658 -0.940 -8.824 1.00 0.90 O ATOM 1138 OD2 ASP A 76 9.058 1.129 -8.481 1.00 1.25 O ATOM 0 H ASP A 76 5.648 -1.278 -6.376 1.00 0.31 H new ATOM 0 HA ASP A 76 8.271 -2.204 -6.597 1.00 0.34 H new ATOM 0 HB2 ASP A 76 7.057 -1.284 -8.478 1.00 0.45 H new ATOM 0 HB3 ASP A 76 6.862 0.261 -7.675 1.00 0.45 H new ATOM 1143 N LEU A 77 7.968 0.621 -4.929 1.00 0.32 N ATOM 1144 CA LEU A 77 8.648 1.542 -4.025 1.00 0.36 C ATOM 1145 C LEU A 77 9.173 0.774 -2.791 1.00 0.34 C ATOM 1146 O LEU A 77 10.326 0.970 -2.367 1.00 0.40 O ATOM 1147 CB LEU A 77 7.666 2.698 -3.634 1.00 0.41 C ATOM 1148 CG LEU A 77 8.191 3.900 -2.790 1.00 0.53 C ATOM 1149 CD1 LEU A 77 8.504 3.525 -1.353 1.00 0.94 C ATOM 1150 CD2 LEU A 77 9.404 4.535 -3.446 1.00 1.35 C ATOM 0 H LEU A 77 6.976 0.821 -5.058 1.00 0.32 H new ATOM 0 HA LEU A 77 9.512 1.990 -4.516 1.00 0.36 H new ATOM 0 HB2 LEU A 77 7.254 3.103 -4.558 1.00 0.41 H new ATOM 0 HB3 LEU A 77 6.837 2.251 -3.085 1.00 0.41 H new ATOM 0 HG LEU A 77 7.380 4.627 -2.758 1.00 0.53 H new ATOM 0 HD11 LEU A 77 8.865 4.403 -0.818 1.00 0.94 H new ATOM 0 HD12 LEU A 77 7.601 3.151 -0.870 1.00 0.94 H new ATOM 0 HD13 LEU A 77 9.271 2.751 -1.338 1.00 0.94 H new ATOM 0 HD21 LEU A 77 9.751 5.371 -2.838 1.00 1.35 H new ATOM 0 HD22 LEU A 77 10.200 3.795 -3.533 1.00 1.35 H new ATOM 0 HD23 LEU A 77 9.134 4.896 -4.438 1.00 1.35 H new ATOM 1162 N ILE A 78 8.344 -0.114 -2.257 1.00 0.30 N ATOM 1163 CA ILE A 78 8.692 -0.898 -1.068 1.00 0.32 C ATOM 1164 C ILE A 78 9.845 -1.842 -1.391 1.00 0.33 C ATOM 1165 O ILE A 78 10.880 -1.820 -0.724 1.00 0.39 O ATOM 1166 CB ILE A 78 7.475 -1.738 -0.563 1.00 0.33 C ATOM 1167 CG1 ILE A 78 6.277 -0.840 -0.260 1.00 0.36 C ATOM 1168 CG2 ILE A 78 7.847 -2.545 0.684 1.00 0.38 C ATOM 1169 CD1 ILE A 78 6.536 0.210 0.798 1.00 0.42 C ATOM 0 H ILE A 78 7.416 -0.314 -2.630 1.00 0.30 H new ATOM 0 HA ILE A 78 8.984 -0.200 -0.283 1.00 0.32 H new ATOM 0 HB ILE A 78 7.201 -2.429 -1.360 1.00 0.33 H new ATOM 0 HG12 ILE A 78 5.969 -0.343 -1.180 1.00 0.36 H new ATOM 0 HG13 ILE A 78 5.443 -1.464 0.061 1.00 0.36 H new ATOM 0 HG21 ILE A 78 6.983 -3.121 1.016 1.00 0.38 H new ATOM 0 HG22 ILE A 78 8.666 -3.224 0.447 1.00 0.38 H new ATOM 0 HG23 ILE A 78 8.157 -1.866 1.478 1.00 0.38 H new ATOM 0 HD11 ILE A 78 5.634 0.803 0.951 1.00 0.42 H new ATOM 0 HD12 ILE A 78 6.813 -0.276 1.733 1.00 0.42 H new ATOM 0 HD13 ILE A 78 7.347 0.861 0.473 1.00 0.42 H new ATOM 1181 N ASN A 79 9.667 -2.633 -2.432 1.00 0.33 N ATOM 1182 CA ASN A 79 10.653 -3.640 -2.850 1.00 0.38 C ATOM 1183 C ASN A 79 11.984 -3.018 -3.190 1.00 0.38 C ATOM 1184 O ASN A 79 13.034 -3.604 -2.905 1.00 0.42 O ATOM 1185 CB ASN A 79 10.133 -4.479 -4.032 1.00 0.46 C ATOM 1186 CG ASN A 79 9.040 -5.447 -3.630 1.00 0.57 C ATOM 1187 OD1 ASN A 79 8.331 -5.227 -2.673 1.00 1.18 O ATOM 1188 ND2 ASN A 79 8.889 -6.519 -4.361 1.00 0.82 N ATOM 0 H ASN A 79 8.835 -2.604 -3.021 1.00 0.33 H new ATOM 0 HA ASN A 79 10.804 -4.304 -1.999 1.00 0.38 H new ATOM 0 HB2 ASN A 79 9.754 -3.812 -4.806 1.00 0.46 H new ATOM 0 HB3 ASN A 79 10.962 -5.036 -4.469 1.00 0.46 H new ATOM 0 HD21 ASN A 79 8.160 -7.195 -4.131 1.00 0.82 H new ATOM 0 HD22 ASN A 79 9.500 -6.680 -5.162 1.00 0.82 H new ATOM 1195 N GLY A 80 11.946 -1.826 -3.771 1.00 0.38 N ATOM 1196 CA GLY A 80 13.160 -1.108 -4.075 1.00 0.46 C ATOM 1197 C GLY A 80 13.975 -0.838 -2.820 1.00 0.50 C ATOM 1198 O GLY A 80 15.168 -1.165 -2.756 1.00 0.62 O ATOM 0 H GLY A 80 11.087 -1.344 -4.037 1.00 0.38 H new ATOM 0 HA2 GLY A 80 13.758 -1.684 -4.782 1.00 0.46 H new ATOM 0 HA3 GLY A 80 12.914 -0.164 -4.561 1.00 0.46 H new ATOM 1202 N ALA A 81 13.317 -0.319 -1.804 1.00 0.47 N ATOM 1203 CA ALA A 81 13.980 0.009 -0.555 1.00 0.57 C ATOM 1204 C ALA A 81 14.348 -1.257 0.229 1.00 0.62 C ATOM 1205 O ALA A 81 15.381 -1.300 0.911 1.00 0.80 O ATOM 1206 CB ALA A 81 13.110 0.933 0.284 1.00 0.59 C ATOM 0 H ALA A 81 12.318 -0.114 -1.818 1.00 0.47 H new ATOM 0 HA ALA A 81 14.907 0.531 -0.793 1.00 0.57 H new ATOM 0 HB1 ALA A 81 13.623 1.168 1.217 1.00 0.59 H new ATOM 0 HB2 ALA A 81 12.920 1.854 -0.268 1.00 0.59 H new ATOM 0 HB3 ALA A 81 12.163 0.440 0.505 1.00 0.59 H new ATOM 1212 N LEU A 82 13.509 -2.285 0.128 1.00 0.54 N ATOM 1213 CA LEU A 82 13.764 -3.563 0.798 1.00 0.61 C ATOM 1214 C LEU A 82 15.003 -4.244 0.256 1.00 0.74 C ATOM 1215 O LEU A 82 15.799 -4.781 1.019 1.00 0.89 O ATOM 1216 CB LEU A 82 12.570 -4.515 0.693 1.00 0.54 C ATOM 1217 CG LEU A 82 11.345 -4.170 1.535 1.00 0.58 C ATOM 1218 CD1 LEU A 82 10.242 -5.182 1.288 1.00 0.63 C ATOM 1219 CD2 LEU A 82 11.710 -4.150 3.011 1.00 0.68 C ATOM 0 H LEU A 82 12.644 -2.260 -0.412 1.00 0.54 H new ATOM 0 HA LEU A 82 13.926 -3.326 1.849 1.00 0.61 H new ATOM 0 HB2 LEU A 82 12.263 -4.562 -0.352 1.00 0.54 H new ATOM 0 HB3 LEU A 82 12.905 -5.514 0.972 1.00 0.54 H new ATOM 0 HG LEU A 82 10.990 -3.181 1.247 1.00 0.58 H new ATOM 0 HD11 LEU A 82 9.372 -4.927 1.893 1.00 0.63 H new ATOM 0 HD12 LEU A 82 9.966 -5.170 0.233 1.00 0.63 H new ATOM 0 HD13 LEU A 82 10.594 -6.177 1.559 1.00 0.63 H new ATOM 0 HD21 LEU A 82 10.827 -3.903 3.601 1.00 0.68 H new ATOM 0 HD22 LEU A 82 12.081 -5.131 3.307 1.00 0.68 H new ATOM 0 HD23 LEU A 82 12.484 -3.402 3.184 1.00 0.68 H new ATOM 1231 N ALA A 83 15.173 -4.193 -1.054 1.00 0.83 N ATOM 1232 CA ALA A 83 16.310 -4.818 -1.717 1.00 1.07 C ATOM 1233 C ALA A 83 17.631 -4.205 -1.274 1.00 1.28 C ATOM 1234 O ALA A 83 18.639 -4.906 -1.140 1.00 1.46 O ATOM 1235 CB ALA A 83 16.165 -4.712 -3.225 1.00 1.27 C ATOM 0 H ALA A 83 14.530 -3.719 -1.688 1.00 0.83 H new ATOM 0 HA ALA A 83 16.319 -5.869 -1.429 1.00 1.07 H new ATOM 0 HB1 ALA A 83 17.022 -5.183 -3.707 1.00 1.27 H new ATOM 0 HB2 ALA A 83 15.250 -5.215 -3.539 1.00 1.27 H new ATOM 0 HB3 ALA A 83 16.119 -3.662 -3.513 1.00 1.27 H new ATOM 1241 N GLU A 84 17.613 -2.908 -1.011 1.00 1.34 N ATOM 1242 CA GLU A 84 18.817 -2.185 -0.635 1.00 1.64 C ATOM 1243 C GLU A 84 19.161 -2.385 0.837 1.00 1.75 C ATOM 1244 O GLU A 84 20.297 -2.127 1.269 1.00 2.12 O ATOM 1245 CB GLU A 84 18.673 -0.704 -0.946 1.00 1.67 C ATOM 1246 CG GLU A 84 18.379 -0.415 -2.403 1.00 1.99 C ATOM 1247 CD GLU A 84 18.327 1.055 -2.699 1.00 2.14 C ATOM 1248 OE1 GLU A 84 17.404 1.740 -2.211 1.00 2.82 O ATOM 1249 OE2 GLU A 84 19.219 1.563 -3.404 1.00 2.25 O ATOM 0 H GLU A 84 16.772 -2.332 -1.051 1.00 1.34 H new ATOM 0 HA GLU A 84 19.638 -2.592 -1.226 1.00 1.64 H new ATOM 0 HB2 GLU A 84 17.872 -0.289 -0.334 1.00 1.67 H new ATOM 0 HB3 GLU A 84 19.591 -0.191 -0.661 1.00 1.67 H new ATOM 0 HG2 GLU A 84 19.145 -0.880 -3.024 1.00 1.99 H new ATOM 0 HG3 GLU A 84 17.427 -0.871 -2.675 1.00 1.99 H new ATOM 1256 N ALA A 85 18.205 -2.850 1.609 1.00 1.60 N ATOM 1257 CA ALA A 85 18.426 -3.064 3.020 1.00 1.87 C ATOM 1258 C ALA A 85 18.961 -4.467 3.270 1.00 2.41 C ATOM 1259 O ALA A 85 18.225 -5.366 3.678 1.00 2.97 O ATOM 1260 CB ALA A 85 17.161 -2.794 3.830 1.00 2.27 C ATOM 0 H ALA A 85 17.268 -3.087 1.283 1.00 1.60 H new ATOM 0 HA ALA A 85 19.179 -2.351 3.357 1.00 1.87 H new ATOM 0 HB1 ALA A 85 17.363 -2.965 4.887 1.00 2.27 H new ATOM 0 HB2 ALA A 85 16.848 -1.760 3.682 1.00 2.27 H new ATOM 0 HB3 ALA A 85 16.367 -3.464 3.499 1.00 2.27 H new ATOM 1266 N ALA A 86 20.217 -4.656 2.942 1.00 2.92 N ATOM 1267 CA ALA A 86 20.914 -5.912 3.109 1.00 3.83 C ATOM 1268 C ALA A 86 22.401 -5.635 3.031 1.00 4.59 C ATOM 1269 O ALA A 86 23.050 -5.520 4.081 1.00 5.16 O ATOM 1270 CB ALA A 86 20.498 -6.922 2.038 1.00 4.34 C ATOM 1271 OXT ALA A 86 22.912 -5.418 1.912 1.00 4.98 O ATOM 0 H ALA A 86 20.799 -3.921 2.541 1.00 2.92 H new ATOM 0 HA ALA A 86 20.660 -6.348 4.075 1.00 3.83 H new ATOM 0 HB1 ALA A 86 21.039 -7.856 2.189 1.00 4.34 H new ATOM 0 HB2 ALA A 86 19.426 -7.107 2.109 1.00 4.34 H new ATOM 0 HB3 ALA A 86 20.732 -6.523 1.051 1.00 4.34 H new TER 1277 ALA A 86 HETATM 1278 P24 SXH A 87 -6.787 13.708 2.057 1.00 1.09 P HETATM 1279 O26 SXH A 87 -7.360 14.585 0.889 1.00 1.22 O HETATM 1280 O23 SXH A 87 -7.629 13.635 3.352 1.00 1.42 O HETATM 1281 O27 SXH A 87 -5.377 14.246 2.394 1.00 1.10 O HETATM 1282 C28 SXH A 87 -4.578 13.600 3.458 1.00 1.13 C HETATM 1283 C29 SXH A 87 -3.174 14.226 3.560 1.00 1.27 C HETATM 1284 C30 SXH A 87 -2.362 13.320 4.445 1.00 1.36 C HETATM 1285 C31 SXH A 87 -2.524 14.266 2.173 1.00 1.28 C HETATM 1286 C32 SXH A 87 -3.267 15.706 4.160 1.00 1.57 C HETATM 1287 O33 SXH A 87 -4.001 16.548 3.267 1.00 1.62 O HETATM 1288 C34 SXH A 87 -1.890 16.356 4.311 1.00 1.82 C HETATM 1289 O35 SXH A 87 -1.460 17.098 3.410 1.00 2.00 O HETATM 1290 N36 SXH A 87 -1.229 16.120 5.424 1.00 1.99 N HETATM 1291 C37 SXH A 87 0.088 16.683 5.747 1.00 2.29 C HETATM 1292 C38 SXH A 87 0.700 16.108 7.045 1.00 2.49 C HETATM 1293 C39 SXH A 87 1.224 14.666 6.960 1.00 2.41 C HETATM 1294 O40 SXH A 87 1.424 13.991 7.986 1.00 2.91 O HETATM 1295 N41 SXH A 87 1.443 14.220 5.744 1.00 2.12 N HETATM 1296 C42 SXH A 87 1.940 12.896 5.398 1.00 2.36 C HETATM 1297 C43 SXH A 87 1.741 12.635 3.923 1.00 2.13 C HETATM 1298 S1 SXH A 87 2.277 14.035 3.041 1.00 1.95 S HETATM 1299 C1 SXH A 87 1.887 13.586 1.385 1.00 1.93 C HETATM 1300 O1 SXH A 87 1.956 14.390 0.435 1.00 2.69 O HETATM 1301 C2 SXH A 87 1.466 12.138 1.152 1.00 1.85 C HETATM 1302 C3 SXH A 87 0.059 12.026 0.596 1.00 2.13 C HETATM 1303 C4 SXH A 87 -0.334 10.575 0.369 1.00 2.00 C HETATM 1304 C5 SXH A 87 -1.758 10.448 -0.160 1.00 2.32 C HETATM 1305 C6 SXH A 87 -1.892 11.131 -1.508 1.00 2.32 C HETATM 0 HO33 SXH A 87 -4.648 16.008 2.766 1.00 1.62 H new HETATM 0 HN41 SXH A 87 1.247 14.859 4.973 1.00 2.12 H new HETATM 0 HN36 SXH A 87 -1.662 15.502 6.111 1.00 1.99 H new HETATM 0 H43A SXH A 87 2.304 11.754 3.614 1.00 2.13 H new HETATM 0 H42A SXH A 87 2.998 12.819 5.649 1.00 2.36 H new HETATM 0 H38A SXH A 87 1.521 16.755 7.354 1.00 2.49 H new HETATM 0 H37A SXH A 87 0.769 16.493 4.918 1.00 2.29 H new HETATM 0 H31B SXH A 87 -2.440 13.252 1.781 1.00 1.28 H new HETATM 0 H31A SXH A 87 -3.138 14.865 1.500 1.00 1.28 H new HETATM 0 H30B SXH A 87 -2.830 13.255 5.427 1.00 1.36 H new HETATM 0 H30A SXH A 87 -2.312 12.326 4.000 1.00 1.36 H new HETATM 0 H28A SXH A 87 -5.093 13.699 4.414 1.00 1.13 H new HETATM 0 H6B SXH A 87 -1.647 12.188 -1.406 1.00 2.32 H new HETATM 0 H6A SXH A 87 -1.209 10.668 -2.220 1.00 2.32 H new HETATM 0 H6 SXH A 87 -2.916 11.029 -1.868 1.00 2.32 H new HETATM 0 H5A SXH A 87 -2.024 9.395 -0.252 1.00 2.32 H new HETATM 0 H5 SXH A 87 -2.456 10.893 0.550 1.00 2.32 H new HETATM 0 H4A SXH A 87 0.358 10.118 -0.338 1.00 2.00 H new HETATM 0 H43 SXH A 87 0.691 12.433 3.712 1.00 2.13 H new HETATM 0 H42 SXH A 87 1.418 12.139 5.983 1.00 2.36 H new HETATM 0 H4 SXH A 87 -0.244 10.024 1.305 1.00 2.00 H new HETATM 0 H3A SXH A 87 -0.645 12.491 1.286 1.00 2.13 H new HETATM 0 H38 SXH A 87 -0.054 16.154 7.830 1.00 2.49 H new HETATM 0 H37 SXH A 87 -0.002 17.765 5.845 1.00 2.29 H new HETATM 0 H32 SXH A 87 -3.748 15.610 5.134 1.00 1.57 H new HETATM 0 H31 SXH A 87 -1.531 14.709 2.249 1.00 1.28 H new HETATM 0 H30 SXH A 87 -1.354 13.721 4.550 1.00 1.36 H new HETATM 0 H3 SXH A 87 -0.007 12.574 -0.344 1.00 2.13 H new HETATM 0 H2A SXH A 87 2.165 11.666 0.461 1.00 1.85 H new HETATM 0 H28 SXH A 87 -4.489 12.533 3.252 1.00 1.13 H new HETATM 0 H2 SXH A 87 1.527 11.589 2.092 1.00 1.85 H new