USER MOD reduce.3.24.130724 H: found=0, std=0, add=431, rem=0, adj=15 USER MOD reduce.3.24.130724 removed 432 hydrogens (0 hets) USER MOD ----------------------------------------------------------------- USER MOD scores for adjustable sidechains, with "set" totals for H,N and Q USER MOD "o" means original, "f" means flipped, "180deg" is methyl default USER MOD "!" flags a clash with an overlap of 0.40A or greater USER MOD flip categories: "K"=keep, "C"=clashes, "X"=uncertain, "F"=flip USER MOD Set 1.1: A 78 THR OG1 : rot 180:sc= 0 USER MOD Set 1.2: A 83 THR OG1 : rot 180:sc= 0 USER MOD Set 2.1: A 59 SER OG : rot 180:sc= 0.587 USER MOD Set 2.2: A 61 THR OG1 : rot 111:sc= 0.658 USER MOD Set 3.1: A 32 THR OG1 : rot -120:sc= -0.438 USER MOD Set 3.2: A 35 HIS : no HD1:sc= 0 X(o=-0.44,f=-0.47) USER MOD Single : A 25 SER OG : rot 40:sc= 0.161 USER MOD Single : A 27 HIS : no HE2:sc= -0.658 K(o=-0.66,f=-1.6) USER MOD Single : A 31 MET CE :methyl -114:sc= -2.04! (180deg=-6.08!) USER MOD Single : A 33 CYS SG : rot 180:sc= 0 USER MOD Single : A 36 CYS SG : rot 77:sc= -2.78! USER MOD Single : A 41 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 46 LYS NZ :NH3+ -167:sc= -0.0482 (180deg=-0.262) USER MOD Single : A 47 THR OG1 : rot 86:sc= 0.948 USER MOD Single : A 54 HIS : no HD1:sc= 0 X(o=0,f=0) USER MOD Single : A 68 SER OG : rot -37:sc= 0.314 USER MOD Single : A 72 HIS : no HE2:sc= -0.524 K(o=-0.52,f=-1.3) USER MOD Single : A 82 TYR OH : rot 180:sc= 0 USER MOD ----------------------------------------------------------------- ATOM 11 N GLY A 23 4.197 7.884 7.631 1.00 0.00 N ATOM 12 CA GLY A 23 3.946 6.520 7.168 1.00 0.00 C ATOM 13 C GLY A 23 5.023 5.993 6.229 1.00 0.00 C ATOM 14 O GLY A 23 5.934 6.726 5.831 1.00 0.00 O ATOM 0 HA2 GLY A 23 3.872 5.859 8.031 1.00 0.00 H new ATOM 0 HA3 GLY A 23 2.983 6.488 6.659 1.00 0.00 H new ATOM 18 N LEU A 24 4.925 4.703 5.896 1.00 0.00 N ATOM 19 CA LEU A 24 5.818 4.046 4.932 1.00 0.00 C ATOM 20 C LEU A 24 5.234 4.225 3.524 1.00 0.00 C ATOM 21 O LEU A 24 4.127 3.742 3.248 1.00 0.00 O ATOM 22 CB LEU A 24 5.939 2.546 5.266 1.00 0.00 C ATOM 23 CG LEU A 24 6.362 2.190 6.720 1.00 0.00 C ATOM 24 CD1 LEU A 24 6.161 0.684 6.993 1.00 0.00 C ATOM 25 CD2 LEU A 24 7.817 2.630 7.016 1.00 0.00 C ATOM 0 H LEU A 24 4.220 4.079 6.289 1.00 0.00 H new ATOM 0 HA LEU A 24 6.811 4.493 4.981 1.00 0.00 H new ATOM 0 HB2 LEU A 24 4.978 2.073 5.065 1.00 0.00 H new ATOM 0 HB3 LEU A 24 6.662 2.102 4.582 1.00 0.00 H new ATOM 0 HG LEU A 24 5.717 2.745 7.401 1.00 0.00 H new ATOM 0 HD11 LEU A 24 6.463 0.456 8.015 1.00 0.00 H new ATOM 0 HD12 LEU A 24 5.110 0.427 6.859 1.00 0.00 H new ATOM 0 HD13 LEU A 24 6.768 0.104 6.298 1.00 0.00 H new ATOM 0 HD21 LEU A 24 8.076 2.364 8.041 1.00 0.00 H new ATOM 0 HD22 LEU A 24 8.496 2.127 6.328 1.00 0.00 H new ATOM 0 HD23 LEU A 24 7.904 3.709 6.888 1.00 0.00 H new ATOM 37 N SER A 25 5.963 4.924 2.650 1.00 0.00 N ATOM 38 CA SER A 25 5.476 5.283 1.316 1.00 0.00 C ATOM 39 C SER A 25 5.878 4.221 0.270 1.00 0.00 C ATOM 40 O SER A 25 7.065 4.062 -0.038 1.00 0.00 O ATOM 41 CB SER A 25 6.011 6.681 0.940 1.00 0.00 C ATOM 42 OG SER A 25 7.418 6.766 1.103 1.00 0.00 O ATOM 0 H SER A 25 6.907 5.257 2.847 1.00 0.00 H new ATOM 0 HA SER A 25 4.387 5.314 1.328 1.00 0.00 H new ATOM 0 HB2 SER A 25 5.750 6.904 -0.095 1.00 0.00 H new ATOM 0 HB3 SER A 25 5.527 7.435 1.560 1.00 0.00 H new ATOM 0 HG SER A 25 7.833 5.932 0.800 1.00 0.00 H new ATOM 48 N PHE A 26 4.875 3.488 -0.246 1.00 0.00 N ATOM 49 CA PHE A 26 5.043 2.487 -1.319 1.00 0.00 C ATOM 50 C PHE A 26 4.414 3.029 -2.601 1.00 0.00 C ATOM 51 O PHE A 26 3.294 3.534 -2.572 1.00 0.00 O ATOM 52 CB PHE A 26 4.382 1.140 -0.926 1.00 0.00 C ATOM 53 CG PHE A 26 5.020 0.505 0.305 1.00 0.00 C ATOM 54 CD1 PHE A 26 4.587 0.838 1.588 1.00 0.00 C ATOM 55 CD2 PHE A 26 6.067 -0.408 0.179 1.00 0.00 C ATOM 56 CE1 PHE A 26 5.183 0.287 2.697 1.00 0.00 C ATOM 57 CE2 PHE A 26 6.658 -0.961 1.292 1.00 0.00 C ATOM 58 CZ PHE A 26 6.212 -0.616 2.552 1.00 0.00 C ATOM 0 H PHE A 26 3.910 3.574 0.074 1.00 0.00 H new ATOM 0 HA PHE A 26 6.106 2.304 -1.476 1.00 0.00 H new ATOM 0 HB2 PHE A 26 3.321 1.303 -0.736 1.00 0.00 H new ATOM 0 HB3 PHE A 26 4.453 0.447 -1.765 1.00 0.00 H new ATOM 0 HD1 PHE A 26 3.773 1.537 1.712 1.00 0.00 H new ATOM 0 HD2 PHE A 26 6.418 -0.684 -0.804 1.00 0.00 H new ATOM 0 HE1 PHE A 26 4.843 0.563 3.684 1.00 0.00 H new ATOM 0 HE2 PHE A 26 7.470 -1.664 1.180 1.00 0.00 H new ATOM 0 HZ PHE A 26 6.671 -1.055 3.425 1.00 0.00 H new ATOM 68 N HIS A 27 5.131 2.915 -3.719 1.00 0.00 N ATOM 69 CA HIS A 27 4.696 3.455 -5.013 1.00 0.00 C ATOM 70 C HIS A 27 4.714 2.346 -6.071 1.00 0.00 C ATOM 71 O HIS A 27 5.629 1.517 -6.092 1.00 0.00 O ATOM 72 CB HIS A 27 5.601 4.643 -5.444 1.00 0.00 C ATOM 73 CG HIS A 27 7.036 4.277 -5.768 1.00 0.00 C ATOM 74 ND1 HIS A 27 7.487 4.064 -7.050 1.00 0.00 N ATOM 75 CD2 HIS A 27 8.117 4.111 -4.971 1.00 0.00 C ATOM 76 CE1 HIS A 27 8.773 3.790 -7.026 1.00 0.00 C ATOM 77 NE2 HIS A 27 9.182 3.805 -5.777 1.00 0.00 N ATOM 0 H HIS A 27 6.035 2.444 -3.756 1.00 0.00 H new ATOM 0 HA HIS A 27 3.677 3.829 -4.914 1.00 0.00 H new ATOM 0 HB2 HIS A 27 5.158 5.118 -6.319 1.00 0.00 H new ATOM 0 HB3 HIS A 27 5.604 5.385 -4.646 1.00 0.00 H new ATOM 0 HD1 HIS A 27 6.912 4.111 -7.891 1.00 0.00 H new ATOM 0 HD2 HIS A 27 8.137 4.203 -3.895 1.00 0.00 H new ATOM 0 HE1 HIS A 27 9.390 3.587 -7.889 1.00 0.00 H new ATOM 86 N VAL A 28 3.659 2.313 -6.899 1.00 0.00 N ATOM 87 CA VAL A 28 3.574 1.455 -8.101 1.00 0.00 C ATOM 88 C VAL A 28 3.461 2.394 -9.325 1.00 0.00 C ATOM 89 O VAL A 28 2.540 3.209 -9.390 1.00 0.00 O ATOM 90 CB VAL A 28 2.334 0.471 -8.026 1.00 0.00 C ATOM 91 CG1 VAL A 28 2.229 -0.425 -9.283 1.00 0.00 C ATOM 92 CG2 VAL A 28 2.358 -0.388 -6.735 1.00 0.00 C ATOM 0 H VAL A 28 2.828 2.887 -6.755 1.00 0.00 H new ATOM 0 HA VAL A 28 4.461 0.826 -8.177 1.00 0.00 H new ATOM 0 HB VAL A 28 1.442 1.097 -7.993 1.00 0.00 H new ATOM 0 HG11 VAL A 28 1.366 -1.084 -9.189 1.00 0.00 H new ATOM 0 HG12 VAL A 28 2.113 0.201 -10.168 1.00 0.00 H new ATOM 0 HG13 VAL A 28 3.134 -1.025 -9.379 1.00 0.00 H new ATOM 0 HG21 VAL A 28 1.491 -1.049 -6.722 1.00 0.00 H new ATOM 0 HG22 VAL A 28 3.270 -0.985 -6.712 1.00 0.00 H new ATOM 0 HG23 VAL A 28 2.330 0.265 -5.863 1.00 0.00 H new ATOM 102 N GLU A 29 4.419 2.319 -10.268 1.00 0.00 N ATOM 103 CA GLU A 29 4.466 3.234 -11.442 1.00 0.00 C ATOM 104 C GLU A 29 3.337 2.952 -12.455 1.00 0.00 C ATOM 105 O GLU A 29 2.970 3.826 -13.249 1.00 0.00 O ATOM 106 CB GLU A 29 5.853 3.165 -12.137 1.00 0.00 C ATOM 107 CG GLU A 29 7.048 3.576 -11.248 1.00 0.00 C ATOM 108 CD GLU A 29 6.945 5.009 -10.684 1.00 0.00 C ATOM 109 OE1 GLU A 29 7.419 5.955 -11.347 1.00 0.00 O ATOM 110 OE2 GLU A 29 6.397 5.200 -9.571 1.00 0.00 O ATOM 0 H GLU A 29 5.176 1.635 -10.246 1.00 0.00 H new ATOM 0 HA GLU A 29 4.310 4.244 -11.063 1.00 0.00 H new ATOM 0 HB2 GLU A 29 6.015 2.147 -12.491 1.00 0.00 H new ATOM 0 HB3 GLU A 29 5.835 3.809 -13.016 1.00 0.00 H new ATOM 0 HG2 GLU A 29 7.129 2.874 -10.418 1.00 0.00 H new ATOM 0 HG3 GLU A 29 7.967 3.490 -11.829 1.00 0.00 H new ATOM 117 N ASP A 30 2.794 1.729 -12.413 1.00 0.00 N ATOM 118 CA ASP A 30 1.664 1.308 -13.274 1.00 0.00 C ATOM 119 C ASP A 30 0.305 1.610 -12.594 1.00 0.00 C ATOM 120 O ASP A 30 -0.746 1.503 -13.237 1.00 0.00 O ATOM 121 CB ASP A 30 1.796 -0.212 -13.591 1.00 0.00 C ATOM 122 CG ASP A 30 0.696 -0.762 -14.526 1.00 0.00 C ATOM 123 OD1 ASP A 30 0.746 -0.487 -15.743 1.00 0.00 O ATOM 124 OD2 ASP A 30 -0.232 -1.446 -14.044 1.00 0.00 O ATOM 0 H ASP A 30 3.121 0.997 -11.783 1.00 0.00 H new ATOM 0 HA ASP A 30 1.698 1.874 -14.205 1.00 0.00 H new ATOM 0 HB2 ASP A 30 2.769 -0.393 -14.047 1.00 0.00 H new ATOM 0 HB3 ASP A 30 1.774 -0.770 -12.655 1.00 0.00 H new ATOM 129 N MET A 31 0.350 2.018 -11.304 1.00 0.00 N ATOM 130 CA MET A 31 -0.843 2.154 -10.439 1.00 0.00 C ATOM 131 C MET A 31 -1.905 3.093 -11.048 1.00 0.00 C ATOM 132 O MET A 31 -1.710 4.309 -11.118 1.00 0.00 O ATOM 133 CB MET A 31 -0.441 2.660 -9.027 1.00 0.00 C ATOM 134 CG MET A 31 -1.557 2.652 -7.990 1.00 0.00 C ATOM 135 SD MET A 31 -0.975 3.151 -6.361 1.00 0.00 S ATOM 136 CE MET A 31 -2.443 2.859 -5.392 1.00 0.00 C ATOM 0 H MET A 31 1.221 2.263 -10.833 1.00 0.00 H new ATOM 0 HA MET A 31 -1.287 1.162 -10.357 1.00 0.00 H new ATOM 0 HB2 MET A 31 0.379 2.044 -8.658 1.00 0.00 H new ATOM 0 HB3 MET A 31 -0.060 3.677 -9.119 1.00 0.00 H new ATOM 0 HG2 MET A 31 -2.354 3.323 -8.311 1.00 0.00 H new ATOM 0 HG3 MET A 31 -1.988 1.652 -7.930 1.00 0.00 H new ATOM 0 HE1 MET A 31 -2.827 3.808 -5.019 1.00 0.00 H new ATOM 0 HE2 MET A 31 -3.200 2.380 -6.013 1.00 0.00 H new ATOM 0 HE3 MET A 31 -2.200 2.210 -4.551 1.00 0.00 H new ATOM 146 N THR A 32 -2.996 2.492 -11.535 1.00 0.00 N ATOM 147 CA THR A 32 -4.228 3.212 -11.908 1.00 0.00 C ATOM 148 C THR A 32 -4.932 3.709 -10.633 1.00 0.00 C ATOM 149 O THR A 32 -4.611 3.218 -9.557 1.00 0.00 O ATOM 150 CB THR A 32 -5.173 2.274 -12.722 1.00 0.00 C ATOM 151 OG1 THR A 32 -5.477 1.092 -11.953 1.00 0.00 O ATOM 152 CG2 THR A 32 -4.536 1.858 -14.061 1.00 0.00 C ATOM 0 H THR A 32 -3.054 1.485 -11.684 1.00 0.00 H new ATOM 0 HA THR A 32 -3.974 4.068 -12.533 1.00 0.00 H new ATOM 0 HB THR A 32 -6.088 2.827 -12.932 1.00 0.00 H new ATOM 0 HG1 THR A 32 -5.173 0.298 -12.440 1.00 0.00 H new ATOM 0 HG21 THR A 32 -5.221 1.205 -14.602 1.00 0.00 H new ATOM 0 HG22 THR A 32 -4.333 2.746 -14.659 1.00 0.00 H new ATOM 0 HG23 THR A 32 -3.603 1.327 -13.871 1.00 0.00 H new ATOM 160 N CYS A 33 -5.861 4.686 -10.753 1.00 0.00 N ATOM 161 CA CYS A 33 -6.576 5.286 -9.594 1.00 0.00 C ATOM 162 C CYS A 33 -7.416 4.224 -8.818 1.00 0.00 C ATOM 163 O CYS A 33 -6.823 3.380 -8.142 1.00 0.00 O ATOM 164 CB CYS A 33 -7.406 6.503 -10.057 1.00 0.00 C ATOM 165 SG CYS A 33 -6.405 7.815 -10.788 1.00 0.00 S ATOM 0 H CYS A 33 -6.138 5.082 -11.651 1.00 0.00 H new ATOM 0 HA CYS A 33 -5.841 5.651 -8.876 1.00 0.00 H new ATOM 0 HB2 CYS A 33 -8.147 6.173 -10.785 1.00 0.00 H new ATOM 0 HB3 CYS A 33 -7.954 6.906 -9.205 1.00 0.00 H new ATOM 0 HG CYS A 33 -7.175 8.797 -11.152 1.00 0.00 H new ATOM 171 N GLY A 34 -8.761 4.207 -8.962 1.00 0.00 N ATOM 172 CA GLY A 34 -9.617 3.333 -8.135 1.00 0.00 C ATOM 173 C GLY A 34 -9.431 1.846 -8.423 1.00 0.00 C ATOM 174 O GLY A 34 -9.532 1.012 -7.513 1.00 0.00 O ATOM 0 H GLY A 34 -9.269 4.781 -9.634 1.00 0.00 H new ATOM 0 HA2 GLY A 34 -9.404 3.520 -7.083 1.00 0.00 H new ATOM 0 HA3 GLY A 34 -10.661 3.599 -8.301 1.00 0.00 H new ATOM 178 N HIS A 35 -9.094 1.538 -9.685 1.00 0.00 N ATOM 179 CA HIS A 35 -8.910 0.157 -10.177 1.00 0.00 C ATOM 180 C HIS A 35 -7.749 -0.581 -9.464 1.00 0.00 C ATOM 181 O HIS A 35 -7.790 -1.809 -9.306 1.00 0.00 O ATOM 182 CB HIS A 35 -8.686 0.194 -11.709 1.00 0.00 C ATOM 183 CG HIS A 35 -8.487 -1.158 -12.356 1.00 0.00 C ATOM 184 ND1 HIS A 35 -7.367 -1.488 -13.083 1.00 0.00 N ATOM 185 CD2 HIS A 35 -9.281 -2.259 -12.385 1.00 0.00 C ATOM 186 CE1 HIS A 35 -7.476 -2.726 -13.519 1.00 0.00 C ATOM 187 NE2 HIS A 35 -8.627 -3.214 -13.111 1.00 0.00 N ATOM 0 H HIS A 35 -8.939 2.246 -10.403 1.00 0.00 H new ATOM 0 HA HIS A 35 -9.813 -0.409 -9.947 1.00 0.00 H new ATOM 0 HB2 HIS A 35 -9.542 0.681 -12.175 1.00 0.00 H new ATOM 0 HB3 HIS A 35 -7.814 0.813 -11.919 1.00 0.00 H new ATOM 0 HD2 HIS A 35 -10.250 -2.361 -11.920 1.00 0.00 H new ATOM 0 HE1 HIS A 35 -6.743 -3.252 -14.112 1.00 0.00 H new ATOM 0 HE2 HIS A 35 -8.975 -4.153 -13.305 1.00 0.00 H new ATOM 196 N CYS A 36 -6.727 0.171 -9.029 1.00 0.00 N ATOM 197 CA CYS A 36 -5.557 -0.405 -8.330 1.00 0.00 C ATOM 198 C CYS A 36 -5.614 -0.078 -6.828 1.00 0.00 C ATOM 199 O CYS A 36 -5.176 -0.883 -6.000 1.00 0.00 O ATOM 200 CB CYS A 36 -4.262 0.134 -8.959 1.00 0.00 C ATOM 201 SG CYS A 36 -2.748 -0.518 -8.238 1.00 0.00 S ATOM 0 H CYS A 36 -6.683 1.183 -9.147 1.00 0.00 H new ATOM 0 HA CYS A 36 -5.574 -1.490 -8.438 1.00 0.00 H new ATOM 0 HB2 CYS A 36 -4.269 -0.095 -10.025 1.00 0.00 H new ATOM 0 HB3 CYS A 36 -4.254 1.220 -8.867 1.00 0.00 H new ATOM 0 HG CYS A 36 -2.539 -1.722 -8.682 1.00 0.00 H new ATOM 207 N ALA A 37 -6.204 1.095 -6.491 1.00 0.00 N ATOM 208 CA ALA A 37 -6.264 1.608 -5.109 1.00 0.00 C ATOM 209 C ALA A 37 -7.065 0.680 -4.196 1.00 0.00 C ATOM 210 O ALA A 37 -6.583 0.310 -3.130 1.00 0.00 O ATOM 211 CB ALA A 37 -6.850 3.031 -5.070 1.00 0.00 C ATOM 0 H ALA A 37 -6.650 1.708 -7.173 1.00 0.00 H new ATOM 0 HA ALA A 37 -5.240 1.644 -4.737 1.00 0.00 H new ATOM 0 HB1 ALA A 37 -6.882 3.383 -4.039 1.00 0.00 H new ATOM 0 HB2 ALA A 37 -6.224 3.699 -5.662 1.00 0.00 H new ATOM 0 HB3 ALA A 37 -7.859 3.020 -5.481 1.00 0.00 H new ATOM 217 N GLY A 38 -8.275 0.298 -4.648 1.00 0.00 N ATOM 218 CA GLY A 38 -9.189 -0.542 -3.856 1.00 0.00 C ATOM 219 C GLY A 38 -8.583 -1.875 -3.423 1.00 0.00 C ATOM 220 O GLY A 38 -8.804 -2.336 -2.294 1.00 0.00 O ATOM 0 H GLY A 38 -8.642 0.561 -5.563 1.00 0.00 H new ATOM 0 HA2 GLY A 38 -9.498 0.011 -2.969 1.00 0.00 H new ATOM 0 HA3 GLY A 38 -10.088 -0.735 -4.441 1.00 0.00 H new ATOM 224 N VAL A 39 -7.774 -2.459 -4.322 1.00 0.00 N ATOM 225 CA VAL A 39 -7.116 -3.753 -4.095 1.00 0.00 C ATOM 226 C VAL A 39 -5.994 -3.612 -3.052 1.00 0.00 C ATOM 227 O VAL A 39 -5.941 -4.368 -2.076 1.00 0.00 O ATOM 228 CB VAL A 39 -6.517 -4.333 -5.429 1.00 0.00 C ATOM 229 CG1 VAL A 39 -5.917 -5.743 -5.210 1.00 0.00 C ATOM 230 CG2 VAL A 39 -7.573 -4.336 -6.561 1.00 0.00 C ATOM 0 H VAL A 39 -7.558 -2.045 -5.229 1.00 0.00 H new ATOM 0 HA VAL A 39 -7.873 -4.443 -3.724 1.00 0.00 H new ATOM 0 HB VAL A 39 -5.704 -3.678 -5.740 1.00 0.00 H new ATOM 0 HG11 VAL A 39 -5.511 -6.116 -6.150 1.00 0.00 H new ATOM 0 HG12 VAL A 39 -5.121 -5.688 -4.468 1.00 0.00 H new ATOM 0 HG13 VAL A 39 -6.696 -6.419 -4.857 1.00 0.00 H new ATOM 0 HG21 VAL A 39 -7.130 -4.742 -7.470 1.00 0.00 H new ATOM 0 HG22 VAL A 39 -8.422 -4.952 -6.265 1.00 0.00 H new ATOM 0 HG23 VAL A 39 -7.911 -3.316 -6.746 1.00 0.00 H new ATOM 240 N ILE A 40 -5.110 -2.625 -3.284 1.00 0.00 N ATOM 241 CA ILE A 40 -3.919 -2.383 -2.450 1.00 0.00 C ATOM 242 C ILE A 40 -4.304 -1.964 -1.016 1.00 0.00 C ATOM 243 O ILE A 40 -3.849 -2.583 -0.043 1.00 0.00 O ATOM 244 CB ILE A 40 -2.997 -1.289 -3.107 1.00 0.00 C ATOM 245 CG1 ILE A 40 -2.394 -1.805 -4.461 1.00 0.00 C ATOM 246 CG2 ILE A 40 -1.886 -0.837 -2.132 1.00 0.00 C ATOM 247 CD1 ILE A 40 -1.493 -0.806 -5.180 1.00 0.00 C ATOM 0 H ILE A 40 -5.202 -1.969 -4.060 1.00 0.00 H new ATOM 0 HA ILE A 40 -3.367 -3.321 -2.387 1.00 0.00 H new ATOM 0 HB ILE A 40 -3.613 -0.418 -3.328 1.00 0.00 H new ATOM 0 HG12 ILE A 40 -1.824 -2.713 -4.266 1.00 0.00 H new ATOM 0 HG13 ILE A 40 -3.213 -2.079 -5.126 1.00 0.00 H new ATOM 0 HG21 ILE A 40 -1.265 -0.081 -2.613 1.00 0.00 H new ATOM 0 HG22 ILE A 40 -2.339 -0.417 -1.234 1.00 0.00 H new ATOM 0 HG23 ILE A 40 -1.270 -1.694 -1.860 1.00 0.00 H new ATOM 0 HD11 ILE A 40 -1.123 -1.250 -6.104 1.00 0.00 H new ATOM 0 HD12 ILE A 40 -2.061 0.095 -5.412 1.00 0.00 H new ATOM 0 HD13 ILE A 40 -0.650 -0.549 -4.538 1.00 0.00 H new ATOM 259 N LYS A 41 -5.143 -0.910 -0.913 1.00 0.00 N ATOM 260 CA LYS A 41 -5.612 -0.373 0.377 1.00 0.00 C ATOM 261 C LYS A 41 -6.323 -1.467 1.173 1.00 0.00 C ATOM 262 O LYS A 41 -6.023 -1.666 2.341 1.00 0.00 O ATOM 263 CB LYS A 41 -6.576 0.826 0.184 1.00 0.00 C ATOM 264 CG LYS A 41 -5.961 2.071 -0.495 1.00 0.00 C ATOM 265 CD LYS A 41 -6.989 3.222 -0.665 1.00 0.00 C ATOM 266 CE LYS A 41 -8.245 2.783 -1.443 1.00 0.00 C ATOM 267 NZ LYS A 41 -9.234 3.876 -1.598 1.00 0.00 N ATOM 0 H LYS A 41 -5.512 -0.410 -1.722 1.00 0.00 H new ATOM 0 HA LYS A 41 -4.736 -0.023 0.923 1.00 0.00 H new ATOM 0 HB2 LYS A 41 -7.428 0.493 -0.410 1.00 0.00 H new ATOM 0 HB3 LYS A 41 -6.963 1.120 1.160 1.00 0.00 H new ATOM 0 HG2 LYS A 41 -5.118 2.425 0.098 1.00 0.00 H new ATOM 0 HG3 LYS A 41 -5.568 1.791 -1.472 1.00 0.00 H new ATOM 0 HD2 LYS A 41 -7.284 3.589 0.318 1.00 0.00 H new ATOM 0 HD3 LYS A 41 -6.515 4.054 -1.186 1.00 0.00 H new ATOM 0 HE2 LYS A 41 -7.949 2.424 -2.429 1.00 0.00 H new ATOM 0 HE3 LYS A 41 -8.713 1.946 -0.926 1.00 0.00 H new ATOM 0 HZ1 LYS A 41 -10.058 3.526 -2.128 1.00 0.00 H new ATOM 0 HZ2 LYS A 41 -9.540 4.203 -0.659 1.00 0.00 H new ATOM 0 HZ3 LYS A 41 -8.800 4.666 -2.116 1.00 0.00 H new ATOM 281 N GLY A 42 -7.227 -2.197 0.483 1.00 0.00 N ATOM 282 CA GLY A 42 -8.001 -3.281 1.090 1.00 0.00 C ATOM 283 C GLY A 42 -7.128 -4.431 1.601 1.00 0.00 C ATOM 284 O GLY A 42 -7.412 -5.010 2.652 1.00 0.00 O ATOM 0 H GLY A 42 -7.433 -2.046 -0.504 1.00 0.00 H new ATOM 0 HA2 GLY A 42 -8.586 -2.882 1.918 1.00 0.00 H new ATOM 0 HA3 GLY A 42 -8.709 -3.668 0.357 1.00 0.00 H new ATOM 288 N ALA A 43 -6.044 -4.742 0.865 1.00 0.00 N ATOM 289 CA ALA A 43 -5.123 -5.838 1.224 1.00 0.00 C ATOM 290 C ALA A 43 -4.356 -5.516 2.517 1.00 0.00 C ATOM 291 O ALA A 43 -4.408 -6.282 3.482 1.00 0.00 O ATOM 292 CB ALA A 43 -4.142 -6.118 0.072 1.00 0.00 C ATOM 0 H ALA A 43 -5.783 -4.246 0.013 1.00 0.00 H new ATOM 0 HA ALA A 43 -5.719 -6.734 1.399 1.00 0.00 H new ATOM 0 HB1 ALA A 43 -3.471 -6.929 0.355 1.00 0.00 H new ATOM 0 HB2 ALA A 43 -4.700 -6.403 -0.820 1.00 0.00 H new ATOM 0 HB3 ALA A 43 -3.559 -5.221 -0.136 1.00 0.00 H new ATOM 298 N ILE A 44 -3.695 -4.350 2.530 1.00 0.00 N ATOM 299 CA ILE A 44 -2.841 -3.915 3.654 1.00 0.00 C ATOM 300 C ILE A 44 -3.675 -3.630 4.924 1.00 0.00 C ATOM 301 O ILE A 44 -3.289 -4.030 6.023 1.00 0.00 O ATOM 302 CB ILE A 44 -2.005 -2.643 3.265 1.00 0.00 C ATOM 303 CG1 ILE A 44 -1.173 -2.895 1.959 1.00 0.00 C ATOM 304 CG2 ILE A 44 -1.086 -2.205 4.436 1.00 0.00 C ATOM 305 CD1 ILE A 44 -0.455 -1.667 1.413 1.00 0.00 C ATOM 0 H ILE A 44 -3.735 -3.679 1.763 1.00 0.00 H new ATOM 0 HA ILE A 44 -2.156 -4.734 3.873 1.00 0.00 H new ATOM 0 HB ILE A 44 -2.703 -1.830 3.064 1.00 0.00 H new ATOM 0 HG12 ILE A 44 -0.435 -3.671 2.159 1.00 0.00 H new ATOM 0 HG13 ILE A 44 -1.840 -3.281 1.188 1.00 0.00 H new ATOM 0 HG21 ILE A 44 -0.518 -1.323 4.142 1.00 0.00 H new ATOM 0 HG22 ILE A 44 -1.696 -1.970 5.309 1.00 0.00 H new ATOM 0 HG23 ILE A 44 -0.398 -3.014 4.681 1.00 0.00 H new ATOM 0 HD11 ILE A 44 0.093 -1.937 0.511 1.00 0.00 H new ATOM 0 HD12 ILE A 44 -1.186 -0.894 1.176 1.00 0.00 H new ATOM 0 HD13 ILE A 44 0.242 -1.290 2.162 1.00 0.00 H new ATOM 317 N GLU A 45 -4.819 -2.956 4.736 1.00 0.00 N ATOM 318 CA GLU A 45 -5.726 -2.547 5.833 1.00 0.00 C ATOM 319 C GLU A 45 -6.271 -3.762 6.600 1.00 0.00 C ATOM 320 O GLU A 45 -6.241 -3.795 7.836 1.00 0.00 O ATOM 321 CB GLU A 45 -6.892 -1.706 5.244 1.00 0.00 C ATOM 322 CG GLU A 45 -7.955 -1.225 6.250 1.00 0.00 C ATOM 323 CD GLU A 45 -9.083 -0.423 5.575 1.00 0.00 C ATOM 324 OE1 GLU A 45 -10.088 -1.028 5.142 1.00 0.00 O ATOM 325 OE2 GLU A 45 -8.964 0.818 5.464 1.00 0.00 O ATOM 0 H GLU A 45 -5.149 -2.674 3.813 1.00 0.00 H new ATOM 0 HA GLU A 45 -5.161 -1.945 6.545 1.00 0.00 H new ATOM 0 HB2 GLU A 45 -6.469 -0.833 4.748 1.00 0.00 H new ATOM 0 HB3 GLU A 45 -7.389 -2.299 4.476 1.00 0.00 H new ATOM 0 HG2 GLU A 45 -8.382 -2.087 6.762 1.00 0.00 H new ATOM 0 HG3 GLU A 45 -7.478 -0.606 7.010 1.00 0.00 H new ATOM 332 N LYS A 46 -6.749 -4.763 5.844 1.00 0.00 N ATOM 333 CA LYS A 46 -7.377 -5.976 6.413 1.00 0.00 C ATOM 334 C LYS A 46 -6.337 -6.915 7.058 1.00 0.00 C ATOM 335 O LYS A 46 -6.619 -7.527 8.097 1.00 0.00 O ATOM 336 CB LYS A 46 -8.222 -6.724 5.333 1.00 0.00 C ATOM 337 CG LYS A 46 -9.669 -6.192 5.134 1.00 0.00 C ATOM 338 CD LYS A 46 -9.756 -4.693 4.764 1.00 0.00 C ATOM 339 CE LYS A 46 -11.198 -4.242 4.486 1.00 0.00 C ATOM 340 NZ LYS A 46 -11.817 -5.009 3.370 1.00 0.00 N ATOM 0 H LYS A 46 -6.714 -4.759 4.825 1.00 0.00 H new ATOM 0 HA LYS A 46 -8.050 -5.653 7.207 1.00 0.00 H new ATOM 0 HB2 LYS A 46 -7.697 -6.665 4.380 1.00 0.00 H new ATOM 0 HB3 LYS A 46 -8.274 -7.779 5.603 1.00 0.00 H new ATOM 0 HG2 LYS A 46 -10.152 -6.775 4.350 1.00 0.00 H new ATOM 0 HG3 LYS A 46 -10.234 -6.360 6.051 1.00 0.00 H new ATOM 0 HD2 LYS A 46 -9.342 -4.096 5.577 1.00 0.00 H new ATOM 0 HD3 LYS A 46 -9.142 -4.502 3.884 1.00 0.00 H new ATOM 0 HE2 LYS A 46 -11.797 -4.367 5.388 1.00 0.00 H new ATOM 0 HE3 LYS A 46 -11.205 -3.179 4.243 1.00 0.00 H new ATOM 0 HZ1 LYS A 46 -12.693 -4.537 3.069 1.00 0.00 H new ATOM 0 HZ2 LYS A 46 -11.154 -5.053 2.570 1.00 0.00 H new ATOM 0 HZ3 LYS A 46 -12.036 -5.974 3.691 1.00 0.00 H new ATOM 354 N THR A 47 -5.142 -7.017 6.447 1.00 0.00 N ATOM 355 CA THR A 47 -4.059 -7.884 6.954 1.00 0.00 C ATOM 356 C THR A 47 -3.407 -7.280 8.220 1.00 0.00 C ATOM 357 O THR A 47 -3.122 -8.001 9.182 1.00 0.00 O ATOM 358 CB THR A 47 -2.978 -8.142 5.848 1.00 0.00 C ATOM 359 OG1 THR A 47 -3.610 -8.698 4.681 1.00 0.00 O ATOM 360 CG2 THR A 47 -1.862 -9.100 6.317 1.00 0.00 C ATOM 0 H THR A 47 -4.900 -6.507 5.597 1.00 0.00 H new ATOM 0 HA THR A 47 -4.504 -8.841 7.225 1.00 0.00 H new ATOM 0 HB THR A 47 -2.515 -7.181 5.622 1.00 0.00 H new ATOM 0 HG1 THR A 47 -3.949 -7.973 4.116 1.00 0.00 H new ATOM 0 HG21 THR A 47 -1.142 -9.242 5.511 1.00 0.00 H new ATOM 0 HG22 THR A 47 -1.357 -8.674 7.184 1.00 0.00 H new ATOM 0 HG23 THR A 47 -2.298 -10.062 6.588 1.00 0.00 H new ATOM 368 N VAL A 48 -3.198 -5.953 8.218 1.00 0.00 N ATOM 369 CA VAL A 48 -2.518 -5.238 9.322 1.00 0.00 C ATOM 370 C VAL A 48 -3.505 -4.284 10.030 1.00 0.00 C ATOM 371 O VAL A 48 -3.820 -3.215 9.488 1.00 0.00 O ATOM 372 CB VAL A 48 -1.282 -4.411 8.807 1.00 0.00 C ATOM 373 CG1 VAL A 48 -0.466 -3.804 9.974 1.00 0.00 C ATOM 374 CG2 VAL A 48 -0.387 -5.259 7.896 1.00 0.00 C ATOM 0 H VAL A 48 -3.493 -5.343 7.455 1.00 0.00 H new ATOM 0 HA VAL A 48 -2.161 -5.992 10.024 1.00 0.00 H new ATOM 0 HB VAL A 48 -1.675 -3.582 8.219 1.00 0.00 H new ATOM 0 HG11 VAL A 48 0.378 -3.241 9.574 1.00 0.00 H new ATOM 0 HG12 VAL A 48 -1.103 -3.138 10.556 1.00 0.00 H new ATOM 0 HG13 VAL A 48 -0.097 -4.605 10.615 1.00 0.00 H new ATOM 0 HG21 VAL A 48 0.458 -4.660 7.556 1.00 0.00 H new ATOM 0 HG22 VAL A 48 -0.020 -6.124 8.449 1.00 0.00 H new ATOM 0 HG23 VAL A 48 -0.962 -5.597 7.034 1.00 0.00 H new ATOM 384 N PRO A 49 -4.031 -4.666 11.239 1.00 0.00 N ATOM 385 CA PRO A 49 -4.864 -3.767 12.069 1.00 0.00 C ATOM 386 C PRO A 49 -4.027 -2.594 12.633 1.00 0.00 C ATOM 387 O PRO A 49 -3.186 -2.796 13.519 1.00 0.00 O ATOM 388 CB PRO A 49 -5.402 -4.698 13.208 1.00 0.00 C ATOM 389 CG PRO A 49 -5.118 -6.102 12.738 1.00 0.00 C ATOM 390 CD PRO A 49 -3.882 -6.000 11.878 1.00 0.00 C ATOM 0 HA PRO A 49 -5.670 -3.297 11.506 1.00 0.00 H new ATOM 0 HB2 PRO A 49 -4.903 -4.491 14.155 1.00 0.00 H new ATOM 0 HB3 PRO A 49 -6.469 -4.545 13.370 1.00 0.00 H new ATOM 0 HG2 PRO A 49 -4.954 -6.772 13.582 1.00 0.00 H new ATOM 0 HG3 PRO A 49 -5.958 -6.503 12.171 1.00 0.00 H new ATOM 0 HD2 PRO A 49 -2.970 -6.064 12.472 1.00 0.00 H new ATOM 0 HD3 PRO A 49 -3.837 -6.799 11.138 1.00 0.00 H new ATOM 398 N GLY A 50 -4.238 -1.384 12.084 1.00 0.00 N ATOM 399 CA GLY A 50 -3.537 -0.177 12.536 1.00 0.00 C ATOM 400 C GLY A 50 -2.713 0.494 11.446 1.00 0.00 C ATOM 401 O GLY A 50 -2.239 1.621 11.652 1.00 0.00 O ATOM 0 H GLY A 50 -4.895 -1.220 11.321 1.00 0.00 H new ATOM 0 HA2 GLY A 50 -4.268 0.536 12.918 1.00 0.00 H new ATOM 0 HA3 GLY A 50 -2.881 -0.438 13.367 1.00 0.00 H new ATOM 405 N ALA A 51 -2.526 -0.182 10.289 1.00 0.00 N ATOM 406 CA ALA A 51 -1.838 0.422 9.128 1.00 0.00 C ATOM 407 C ALA A 51 -2.787 1.415 8.445 1.00 0.00 C ATOM 408 O ALA A 51 -3.763 1.004 7.796 1.00 0.00 O ATOM 409 CB ALA A 51 -1.371 -0.653 8.132 1.00 0.00 C ATOM 0 H ALA A 51 -2.840 -1.140 10.136 1.00 0.00 H new ATOM 0 HA ALA A 51 -0.949 0.946 9.478 1.00 0.00 H new ATOM 0 HB1 ALA A 51 -0.869 -0.176 7.290 1.00 0.00 H new ATOM 0 HB2 ALA A 51 -0.679 -1.333 8.629 1.00 0.00 H new ATOM 0 HB3 ALA A 51 -2.233 -1.213 7.770 1.00 0.00 H new ATOM 415 N ALA A 52 -2.513 2.717 8.624 1.00 0.00 N ATOM 416 CA ALA A 52 -3.340 3.788 8.062 1.00 0.00 C ATOM 417 C ALA A 52 -2.972 3.991 6.589 1.00 0.00 C ATOM 418 O ALA A 52 -1.990 4.666 6.283 1.00 0.00 O ATOM 419 CB ALA A 52 -3.155 5.081 8.875 1.00 0.00 C ATOM 0 H ALA A 52 -1.714 3.053 9.161 1.00 0.00 H new ATOM 0 HA ALA A 52 -4.393 3.512 8.119 1.00 0.00 H new ATOM 0 HB1 ALA A 52 -3.774 5.870 8.449 1.00 0.00 H new ATOM 0 HB2 ALA A 52 -3.451 4.906 9.909 1.00 0.00 H new ATOM 0 HB3 ALA A 52 -2.108 5.384 8.844 1.00 0.00 H new ATOM 425 N VAL A 53 -3.779 3.408 5.694 1.00 0.00 N ATOM 426 CA VAL A 53 -3.511 3.397 4.249 1.00 0.00 C ATOM 427 C VAL A 53 -4.072 4.677 3.588 1.00 0.00 C ATOM 428 O VAL A 53 -5.193 5.109 3.905 1.00 0.00 O ATOM 429 CB VAL A 53 -4.122 2.101 3.566 1.00 0.00 C ATOM 430 CG1 VAL A 53 -3.452 0.815 4.103 1.00 0.00 C ATOM 431 CG2 VAL A 53 -5.661 2.014 3.747 1.00 0.00 C ATOM 0 H VAL A 53 -4.641 2.928 5.952 1.00 0.00 H new ATOM 0 HA VAL A 53 -2.431 3.375 4.103 1.00 0.00 H new ATOM 0 HB VAL A 53 -3.915 2.186 2.499 1.00 0.00 H new ATOM 0 HG11 VAL A 53 -3.892 -0.055 3.616 1.00 0.00 H new ATOM 0 HG12 VAL A 53 -2.383 0.847 3.893 1.00 0.00 H new ATOM 0 HG13 VAL A 53 -3.608 0.746 5.180 1.00 0.00 H new ATOM 0 HG21 VAL A 53 -6.034 1.111 3.263 1.00 0.00 H new ATOM 0 HG22 VAL A 53 -5.901 1.982 4.810 1.00 0.00 H new ATOM 0 HG23 VAL A 53 -6.130 2.888 3.295 1.00 0.00 H new ATOM 441 N HIS A 54 -3.267 5.317 2.719 1.00 0.00 N ATOM 442 CA HIS A 54 -3.724 6.449 1.898 1.00 0.00 C ATOM 443 C HIS A 54 -3.076 6.367 0.517 1.00 0.00 C ATOM 444 O HIS A 54 -1.891 6.681 0.366 1.00 0.00 O ATOM 445 CB HIS A 54 -3.393 7.805 2.575 1.00 0.00 C ATOM 446 CG HIS A 54 -3.759 9.015 1.749 1.00 0.00 C ATOM 447 ND1 HIS A 54 -2.823 9.823 1.135 1.00 0.00 N ATOM 448 CD2 HIS A 54 -4.963 9.541 1.429 1.00 0.00 C ATOM 449 CE1 HIS A 54 -3.435 10.784 0.480 1.00 0.00 C ATOM 450 NE2 HIS A 54 -4.734 10.635 0.642 1.00 0.00 N ATOM 0 H HIS A 54 -2.290 5.065 2.569 1.00 0.00 H new ATOM 0 HA HIS A 54 -4.808 6.391 1.795 1.00 0.00 H new ATOM 0 HB2 HIS A 54 -3.916 7.859 3.530 1.00 0.00 H new ATOM 0 HB3 HIS A 54 -2.326 7.838 2.794 1.00 0.00 H new ATOM 0 HD2 HIS A 54 -5.927 9.166 1.738 1.00 0.00 H new ATOM 0 HE1 HIS A 54 -2.955 11.563 -0.093 1.00 0.00 H new ATOM 0 HE2 HIS A 54 -5.453 11.239 0.244 1.00 0.00 H new ATOM 459 N ALA A 55 -3.849 5.902 -0.474 1.00 0.00 N ATOM 460 CA ALA A 55 -3.451 5.935 -1.884 1.00 0.00 C ATOM 461 C ALA A 55 -3.923 7.268 -2.486 1.00 0.00 C ATOM 462 O ALA A 55 -5.132 7.533 -2.535 1.00 0.00 O ATOM 463 CB ALA A 55 -4.048 4.734 -2.635 1.00 0.00 C ATOM 0 H ALA A 55 -4.770 5.492 -0.318 1.00 0.00 H new ATOM 0 HA ALA A 55 -2.367 5.864 -1.976 1.00 0.00 H new ATOM 0 HB1 ALA A 55 -3.744 4.771 -3.681 1.00 0.00 H new ATOM 0 HB2 ALA A 55 -3.688 3.808 -2.186 1.00 0.00 H new ATOM 0 HB3 ALA A 55 -5.136 4.769 -2.572 1.00 0.00 H new ATOM 469 N ASP A 56 -2.971 8.112 -2.908 1.00 0.00 N ATOM 470 CA ASP A 56 -3.262 9.445 -3.466 1.00 0.00 C ATOM 471 C ASP A 56 -3.393 9.345 -5.003 1.00 0.00 C ATOM 472 O ASP A 56 -2.414 9.003 -5.642 1.00 0.00 O ATOM 473 CB ASP A 56 -2.122 10.424 -3.086 1.00 0.00 C ATOM 474 CG ASP A 56 -2.408 11.867 -3.535 1.00 0.00 C ATOM 475 OD1 ASP A 56 -3.044 12.623 -2.775 1.00 0.00 O ATOM 476 OD2 ASP A 56 -2.017 12.242 -4.656 1.00 0.00 O ATOM 0 H ASP A 56 -1.976 7.892 -2.873 1.00 0.00 H new ATOM 0 HA ASP A 56 -4.200 9.818 -3.056 1.00 0.00 H new ATOM 0 HB2 ASP A 56 -1.977 10.405 -2.006 1.00 0.00 H new ATOM 0 HB3 ASP A 56 -1.190 10.084 -3.539 1.00 0.00 H new ATOM 481 N PRO A 57 -4.605 9.592 -5.617 1.00 0.00 N ATOM 482 CA PRO A 57 -4.831 9.559 -7.096 1.00 0.00 C ATOM 483 C PRO A 57 -3.783 10.324 -7.943 1.00 0.00 C ATOM 484 O PRO A 57 -3.480 9.909 -9.059 1.00 0.00 O ATOM 485 CB PRO A 57 -6.264 10.156 -7.273 1.00 0.00 C ATOM 486 CG PRO A 57 -6.626 10.697 -5.919 1.00 0.00 C ATOM 487 CD PRO A 57 -5.884 9.838 -4.932 1.00 0.00 C ATOM 0 HA PRO A 57 -4.729 8.540 -7.469 1.00 0.00 H new ATOM 0 HB2 PRO A 57 -6.274 10.942 -8.028 1.00 0.00 H new ATOM 0 HB3 PRO A 57 -6.973 9.394 -7.596 1.00 0.00 H new ATOM 0 HG2 PRO A 57 -6.336 11.744 -5.824 1.00 0.00 H new ATOM 0 HG3 PRO A 57 -7.702 10.648 -5.751 1.00 0.00 H new ATOM 0 HD2 PRO A 57 -5.742 10.347 -3.979 1.00 0.00 H new ATOM 0 HD3 PRO A 57 -6.416 8.910 -4.722 1.00 0.00 H new ATOM 495 N ALA A 58 -3.245 11.431 -7.414 1.00 0.00 N ATOM 496 CA ALA A 58 -2.273 12.272 -8.154 1.00 0.00 C ATOM 497 C ALA A 58 -0.851 11.656 -8.144 1.00 0.00 C ATOM 498 O ALA A 58 -0.182 11.610 -9.179 1.00 0.00 O ATOM 499 CB ALA A 58 -2.261 13.706 -7.594 1.00 0.00 C ATOM 0 H ALA A 58 -3.461 11.771 -6.477 1.00 0.00 H new ATOM 0 HA ALA A 58 -2.596 12.312 -9.194 1.00 0.00 H new ATOM 0 HB1 ALA A 58 -1.542 14.308 -8.150 1.00 0.00 H new ATOM 0 HB2 ALA A 58 -3.254 14.144 -7.694 1.00 0.00 H new ATOM 0 HB3 ALA A 58 -1.978 13.683 -6.541 1.00 0.00 H new ATOM 505 N SER A 59 -0.411 11.172 -6.972 1.00 0.00 N ATOM 506 CA SER A 59 0.979 10.687 -6.756 1.00 0.00 C ATOM 507 C SER A 59 1.103 9.156 -6.990 1.00 0.00 C ATOM 508 O SER A 59 2.194 8.648 -7.288 1.00 0.00 O ATOM 509 CB SER A 59 1.413 11.059 -5.315 1.00 0.00 C ATOM 510 OG SER A 59 2.767 10.739 -5.068 1.00 0.00 O ATOM 0 H SER A 59 -1.001 11.102 -6.143 1.00 0.00 H new ATOM 0 HA SER A 59 1.636 11.167 -7.481 1.00 0.00 H new ATOM 0 HB2 SER A 59 1.258 12.126 -5.154 1.00 0.00 H new ATOM 0 HB3 SER A 59 0.780 10.534 -4.599 1.00 0.00 H new ATOM 0 HG SER A 59 3.000 10.990 -4.150 1.00 0.00 H new ATOM 516 N ARG A 60 -0.040 8.456 -6.854 1.00 0.00 N ATOM 517 CA ARG A 60 -0.157 6.972 -6.890 1.00 0.00 C ATOM 518 C ARG A 60 0.728 6.305 -5.810 1.00 0.00 C ATOM 519 O ARG A 60 1.357 5.262 -6.046 1.00 0.00 O ATOM 520 CB ARG A 60 0.130 6.388 -8.311 1.00 0.00 C ATOM 521 CG ARG A 60 -0.731 6.956 -9.465 1.00 0.00 C ATOM 522 CD ARG A 60 -2.233 7.084 -9.131 1.00 0.00 C ATOM 523 NE ARG A 60 -2.872 5.834 -8.661 1.00 0.00 N ATOM 524 CZ ARG A 60 -3.573 5.716 -7.505 1.00 0.00 C ATOM 525 NH1 ARG A 60 -3.505 6.652 -6.584 1.00 0.00 N ATOM 526 NH2 ARG A 60 -4.298 4.645 -7.248 1.00 0.00 N ATOM 0 H ARG A 60 -0.939 8.915 -6.711 1.00 0.00 H new ATOM 0 HA ARG A 60 -1.195 6.733 -6.657 1.00 0.00 H new ATOM 0 HB2 ARG A 60 1.180 6.561 -8.548 1.00 0.00 H new ATOM 0 HB3 ARG A 60 -0.014 5.308 -8.274 1.00 0.00 H new ATOM 0 HG2 ARG A 60 -0.347 7.938 -9.741 1.00 0.00 H new ATOM 0 HG3 ARG A 60 -0.618 6.313 -10.338 1.00 0.00 H new ATOM 0 HD2 ARG A 60 -2.357 7.849 -8.365 1.00 0.00 H new ATOM 0 HD3 ARG A 60 -2.760 7.434 -10.019 1.00 0.00 H new ATOM 0 HE ARG A 60 -2.779 5.004 -9.247 1.00 0.00 H new ATOM 0 HH11 ARG A 60 -2.922 7.475 -6.735 1.00 0.00 H new ATOM 0 HH12 ARG A 60 -4.035 6.555 -5.718 1.00 0.00 H new ATOM 0 HH21 ARG A 60 -4.340 3.883 -7.925 1.00 0.00 H new ATOM 0 HH22 ARG A 60 -4.817 4.578 -6.372 1.00 0.00 H new ATOM 540 N THR A 61 0.741 6.906 -4.606 1.00 0.00 N ATOM 541 CA THR A 61 1.560 6.437 -3.479 1.00 0.00 C ATOM 542 C THR A 61 0.655 6.053 -2.293 1.00 0.00 C ATOM 543 O THR A 61 -0.212 6.834 -1.884 1.00 0.00 O ATOM 544 CB THR A 61 2.583 7.535 -3.043 1.00 0.00 C ATOM 545 OG1 THR A 61 3.312 8.002 -4.196 1.00 0.00 O ATOM 546 CG2 THR A 61 3.583 6.994 -2.006 1.00 0.00 C ATOM 0 H THR A 61 0.182 7.731 -4.390 1.00 0.00 H new ATOM 0 HA THR A 61 2.118 5.558 -3.800 1.00 0.00 H new ATOM 0 HB THR A 61 2.022 8.353 -2.590 1.00 0.00 H new ATOM 0 HG1 THR A 61 3.050 8.925 -4.397 1.00 0.00 H new ATOM 0 HG21 THR A 61 4.279 7.784 -1.725 1.00 0.00 H new ATOM 0 HG22 THR A 61 3.043 6.655 -1.122 1.00 0.00 H new ATOM 0 HG23 THR A 61 4.136 6.159 -2.435 1.00 0.00 H new ATOM 554 N VAL A 62 0.855 4.828 -1.782 1.00 0.00 N ATOM 555 CA VAL A 62 0.149 4.285 -0.618 1.00 0.00 C ATOM 556 C VAL A 62 1.049 4.419 0.618 1.00 0.00 C ATOM 557 O VAL A 62 2.047 3.699 0.746 1.00 0.00 O ATOM 558 CB VAL A 62 -0.216 2.770 -0.850 1.00 0.00 C ATOM 559 CG1 VAL A 62 -1.135 2.212 0.269 1.00 0.00 C ATOM 560 CG2 VAL A 62 -0.838 2.576 -2.250 1.00 0.00 C ATOM 0 H VAL A 62 1.530 4.174 -2.179 1.00 0.00 H new ATOM 0 HA VAL A 62 -0.776 4.842 -0.468 1.00 0.00 H new ATOM 0 HB VAL A 62 0.708 2.193 -0.804 1.00 0.00 H new ATOM 0 HG11 VAL A 62 -1.360 1.165 0.067 1.00 0.00 H new ATOM 0 HG12 VAL A 62 -0.629 2.295 1.231 1.00 0.00 H new ATOM 0 HG13 VAL A 62 -2.063 2.784 0.297 1.00 0.00 H new ATOM 0 HG21 VAL A 62 -1.085 1.524 -2.396 1.00 0.00 H new ATOM 0 HG22 VAL A 62 -1.744 3.176 -2.332 1.00 0.00 H new ATOM 0 HG23 VAL A 62 -0.125 2.890 -3.012 1.00 0.00 H new ATOM 570 N VAL A 63 0.714 5.369 1.499 1.00 0.00 N ATOM 571 CA VAL A 63 1.420 5.555 2.776 1.00 0.00 C ATOM 572 C VAL A 63 0.674 4.777 3.870 1.00 0.00 C ATOM 573 O VAL A 63 -0.560 4.790 3.904 1.00 0.00 O ATOM 574 CB VAL A 63 1.565 7.078 3.159 1.00 0.00 C ATOM 575 CG1 VAL A 63 2.491 7.819 2.164 1.00 0.00 C ATOM 576 CG2 VAL A 63 0.194 7.785 3.248 1.00 0.00 C ATOM 0 H VAL A 63 -0.050 6.028 1.350 1.00 0.00 H new ATOM 0 HA VAL A 63 2.434 5.169 2.675 1.00 0.00 H new ATOM 0 HB VAL A 63 2.020 7.113 4.149 1.00 0.00 H new ATOM 0 HG11 VAL A 63 2.572 8.867 2.453 1.00 0.00 H new ATOM 0 HG12 VAL A 63 3.480 7.361 2.178 1.00 0.00 H new ATOM 0 HG13 VAL A 63 2.074 7.751 1.159 1.00 0.00 H new ATOM 0 HG21 VAL A 63 0.341 8.832 3.514 1.00 0.00 H new ATOM 0 HG22 VAL A 63 -0.311 7.723 2.284 1.00 0.00 H new ATOM 0 HG23 VAL A 63 -0.417 7.300 4.009 1.00 0.00 H new ATOM 586 N VAL A 64 1.424 4.050 4.720 1.00 0.00 N ATOM 587 CA VAL A 64 0.848 3.245 5.817 1.00 0.00 C ATOM 588 C VAL A 64 1.412 3.723 7.178 1.00 0.00 C ATOM 589 O VAL A 64 2.593 3.523 7.500 1.00 0.00 O ATOM 590 CB VAL A 64 1.068 1.695 5.578 1.00 0.00 C ATOM 591 CG1 VAL A 64 0.254 1.212 4.357 1.00 0.00 C ATOM 592 CG2 VAL A 64 2.556 1.329 5.393 1.00 0.00 C ATOM 0 H VAL A 64 2.442 4.003 4.667 1.00 0.00 H new ATOM 0 HA VAL A 64 -0.231 3.396 5.835 1.00 0.00 H new ATOM 0 HB VAL A 64 0.715 1.188 6.476 1.00 0.00 H new ATOM 0 HG11 VAL A 64 0.418 0.145 4.209 1.00 0.00 H new ATOM 0 HG12 VAL A 64 -0.806 1.395 4.531 1.00 0.00 H new ATOM 0 HG13 VAL A 64 0.575 1.755 3.468 1.00 0.00 H new ATOM 0 HG21 VAL A 64 2.649 0.255 5.233 1.00 0.00 H new ATOM 0 HG22 VAL A 64 2.957 1.861 4.530 1.00 0.00 H new ATOM 0 HG23 VAL A 64 3.114 1.612 6.285 1.00 0.00 H new ATOM 602 N GLY A 65 0.549 4.398 7.960 1.00 0.00 N ATOM 603 CA GLY A 65 0.941 5.004 9.236 1.00 0.00 C ATOM 604 C GLY A 65 0.755 4.064 10.416 1.00 0.00 C ATOM 605 O GLY A 65 -0.089 3.163 10.373 1.00 0.00 O ATOM 0 H GLY A 65 -0.433 4.535 7.722 1.00 0.00 H new ATOM 0 HA2 GLY A 65 1.986 5.310 9.182 1.00 0.00 H new ATOM 0 HA3 GLY A 65 0.353 5.907 9.400 1.00 0.00 H new ATOM 609 N GLY A 66 1.571 4.269 11.464 1.00 0.00 N ATOM 610 CA GLY A 66 1.504 3.476 12.698 1.00 0.00 C ATOM 611 C GLY A 66 2.464 2.292 12.699 1.00 0.00 C ATOM 612 O GLY A 66 2.861 1.815 13.766 1.00 0.00 O ATOM 0 H GLY A 66 2.294 4.989 11.477 1.00 0.00 H new ATOM 0 HA2 GLY A 66 1.728 4.119 13.549 1.00 0.00 H new ATOM 0 HA3 GLY A 66 0.486 3.111 12.834 1.00 0.00 H new ATOM 616 N VAL A 67 2.834 1.823 11.496 1.00 0.00 N ATOM 617 CA VAL A 67 3.713 0.651 11.303 1.00 0.00 C ATOM 618 C VAL A 67 5.072 1.096 10.732 1.00 0.00 C ATOM 619 O VAL A 67 5.139 2.047 9.949 1.00 0.00 O ATOM 620 CB VAL A 67 3.045 -0.419 10.349 1.00 0.00 C ATOM 621 CG1 VAL A 67 1.759 -1.000 10.986 1.00 0.00 C ATOM 622 CG2 VAL A 67 2.740 0.169 8.946 1.00 0.00 C ATOM 0 H VAL A 67 2.530 2.249 10.620 1.00 0.00 H new ATOM 0 HA VAL A 67 3.868 0.183 12.275 1.00 0.00 H new ATOM 0 HB VAL A 67 3.764 -1.228 10.218 1.00 0.00 H new ATOM 0 HG11 VAL A 67 1.318 -1.733 10.311 1.00 0.00 H new ATOM 0 HG12 VAL A 67 2.007 -1.481 11.932 1.00 0.00 H new ATOM 0 HG13 VAL A 67 1.045 -0.195 11.164 1.00 0.00 H new ATOM 0 HG21 VAL A 67 2.282 -0.598 8.322 1.00 0.00 H new ATOM 0 HG22 VAL A 67 2.056 1.012 9.046 1.00 0.00 H new ATOM 0 HG23 VAL A 67 3.667 0.507 8.484 1.00 0.00 H new ATOM 632 N SER A 68 6.145 0.402 11.137 1.00 0.00 N ATOM 633 CA SER A 68 7.517 0.642 10.630 1.00 0.00 C ATOM 634 C SER A 68 8.038 -0.626 9.907 1.00 0.00 C ATOM 635 O SER A 68 9.210 -0.706 9.520 1.00 0.00 O ATOM 636 CB SER A 68 8.437 1.056 11.808 1.00 0.00 C ATOM 637 OG SER A 68 9.724 1.460 11.362 1.00 0.00 O ATOM 0 H SER A 68 6.093 -0.346 11.828 1.00 0.00 H new ATOM 0 HA SER A 68 7.513 1.456 9.905 1.00 0.00 H new ATOM 0 HB2 SER A 68 7.972 1.872 12.361 1.00 0.00 H new ATOM 0 HB3 SER A 68 8.539 0.220 12.500 1.00 0.00 H new ATOM 0 HG SER A 68 10.002 0.895 10.611 1.00 0.00 H new ATOM 643 N ASP A 69 7.122 -1.592 9.686 1.00 0.00 N ATOM 644 CA ASP A 69 7.429 -2.905 9.090 1.00 0.00 C ATOM 645 C ASP A 69 7.368 -2.800 7.552 1.00 0.00 C ATOM 646 O ASP A 69 6.398 -3.244 6.929 1.00 0.00 O ATOM 647 CB ASP A 69 6.415 -3.966 9.613 1.00 0.00 C ATOM 648 CG ASP A 69 6.314 -4.009 11.142 1.00 0.00 C ATOM 649 OD1 ASP A 69 5.601 -3.159 11.721 1.00 0.00 O ATOM 650 OD2 ASP A 69 6.961 -4.873 11.781 1.00 0.00 O ATOM 0 H ASP A 69 6.136 -1.478 9.920 1.00 0.00 H new ATOM 0 HA ASP A 69 8.434 -3.215 9.377 1.00 0.00 H new ATOM 0 HB2 ASP A 69 5.430 -3.753 9.197 1.00 0.00 H new ATOM 0 HB3 ASP A 69 6.709 -4.950 9.248 1.00 0.00 H new ATOM 655 N ALA A 70 8.403 -2.176 6.953 1.00 0.00 N ATOM 656 CA ALA A 70 8.428 -1.839 5.507 1.00 0.00 C ATOM 657 C ALA A 70 8.402 -3.093 4.616 1.00 0.00 C ATOM 658 O ALA A 70 7.606 -3.174 3.679 1.00 0.00 O ATOM 659 CB ALA A 70 9.641 -0.952 5.181 1.00 0.00 C ATOM 0 H ALA A 70 9.245 -1.890 7.453 1.00 0.00 H new ATOM 0 HA ALA A 70 7.519 -1.279 5.287 1.00 0.00 H new ATOM 0 HB1 ALA A 70 9.643 -0.715 4.117 1.00 0.00 H new ATOM 0 HB2 ALA A 70 9.583 -0.029 5.758 1.00 0.00 H new ATOM 0 HB3 ALA A 70 10.559 -1.482 5.436 1.00 0.00 H new ATOM 665 N ALA A 71 9.259 -4.075 4.948 1.00 0.00 N ATOM 666 CA ALA A 71 9.365 -5.344 4.195 1.00 0.00 C ATOM 667 C ALA A 71 8.048 -6.138 4.274 1.00 0.00 C ATOM 668 O ALA A 71 7.600 -6.696 3.278 1.00 0.00 O ATOM 669 CB ALA A 71 10.546 -6.182 4.717 1.00 0.00 C ATOM 0 H ALA A 71 9.896 -4.015 5.742 1.00 0.00 H new ATOM 0 HA ALA A 71 9.551 -5.108 3.147 1.00 0.00 H new ATOM 0 HB1 ALA A 71 10.610 -7.112 4.152 1.00 0.00 H new ATOM 0 HB2 ALA A 71 11.472 -5.620 4.597 1.00 0.00 H new ATOM 0 HB3 ALA A 71 10.393 -6.408 5.772 1.00 0.00 H new ATOM 675 N HIS A 72 7.428 -6.122 5.468 1.00 0.00 N ATOM 676 CA HIS A 72 6.173 -6.841 5.763 1.00 0.00 C ATOM 677 C HIS A 72 5.013 -6.313 4.905 1.00 0.00 C ATOM 678 O HIS A 72 4.334 -7.093 4.228 1.00 0.00 O ATOM 679 CB HIS A 72 5.851 -6.713 7.271 1.00 0.00 C ATOM 680 CG HIS A 72 4.513 -7.271 7.704 1.00 0.00 C ATOM 681 ND1 HIS A 72 4.190 -8.606 7.624 1.00 0.00 N ATOM 682 CD2 HIS A 72 3.418 -6.658 8.224 1.00 0.00 C ATOM 683 CE1 HIS A 72 2.967 -8.790 8.071 1.00 0.00 C ATOM 684 NE2 HIS A 72 2.477 -7.624 8.439 1.00 0.00 N ATOM 0 H HIS A 72 7.789 -5.602 6.267 1.00 0.00 H new ATOM 0 HA HIS A 72 6.303 -7.894 5.514 1.00 0.00 H new ATOM 0 HB2 HIS A 72 6.635 -7.218 7.836 1.00 0.00 H new ATOM 0 HB3 HIS A 72 5.890 -5.659 7.544 1.00 0.00 H new ATOM 0 HD1 HIS A 72 4.805 -9.340 7.272 1.00 0.00 H new ATOM 0 HD2 HIS A 72 3.311 -5.603 8.429 1.00 0.00 H new ATOM 0 HE1 HIS A 72 2.451 -9.737 8.127 1.00 0.00 H new ATOM 693 N ILE A 73 4.824 -4.978 4.924 1.00 0.00 N ATOM 694 CA ILE A 73 3.770 -4.308 4.144 1.00 0.00 C ATOM 695 C ILE A 73 3.983 -4.568 2.639 1.00 0.00 C ATOM 696 O ILE A 73 3.019 -4.811 1.910 1.00 0.00 O ATOM 697 CB ILE A 73 3.734 -2.754 4.416 1.00 0.00 C ATOM 698 CG1 ILE A 73 3.503 -2.433 5.934 1.00 0.00 C ATOM 699 CG2 ILE A 73 2.666 -2.056 3.530 1.00 0.00 C ATOM 700 CD1 ILE A 73 2.158 -2.863 6.496 1.00 0.00 C ATOM 0 H ILE A 73 5.395 -4.340 5.478 1.00 0.00 H new ATOM 0 HA ILE A 73 2.813 -4.724 4.459 1.00 0.00 H new ATOM 0 HB ILE A 73 4.712 -2.356 4.145 1.00 0.00 H new ATOM 0 HG12 ILE A 73 4.290 -2.915 6.513 1.00 0.00 H new ATOM 0 HG13 ILE A 73 3.612 -1.358 6.081 1.00 0.00 H new ATOM 0 HG21 ILE A 73 2.663 -0.986 3.738 1.00 0.00 H new ATOM 0 HG22 ILE A 73 2.902 -2.220 2.479 1.00 0.00 H new ATOM 0 HG23 ILE A 73 1.683 -2.471 3.751 1.00 0.00 H new ATOM 0 HD11 ILE A 73 2.102 -2.594 7.551 1.00 0.00 H new ATOM 0 HD12 ILE A 73 1.359 -2.361 5.951 1.00 0.00 H new ATOM 0 HD13 ILE A 73 2.048 -3.942 6.390 1.00 0.00 H new ATOM 712 N ALA A 74 5.270 -4.564 2.223 1.00 0.00 N ATOM 713 CA ALA A 74 5.686 -4.797 0.826 1.00 0.00 C ATOM 714 C ALA A 74 5.257 -6.189 0.325 1.00 0.00 C ATOM 715 O ALA A 74 4.866 -6.338 -0.836 1.00 0.00 O ATOM 716 CB ALA A 74 7.206 -4.609 0.682 1.00 0.00 C ATOM 0 H ALA A 74 6.053 -4.397 2.855 1.00 0.00 H new ATOM 0 HA ALA A 74 5.180 -4.060 0.202 1.00 0.00 H new ATOM 0 HB1 ALA A 74 7.498 -4.784 -0.354 1.00 0.00 H new ATOM 0 HB2 ALA A 74 7.476 -3.592 0.968 1.00 0.00 H new ATOM 0 HB3 ALA A 74 7.723 -5.317 1.329 1.00 0.00 H new ATOM 722 N GLU A 75 5.313 -7.194 1.221 1.00 0.00 N ATOM 723 CA GLU A 75 4.886 -8.576 0.914 1.00 0.00 C ATOM 724 C GLU A 75 3.357 -8.662 0.735 1.00 0.00 C ATOM 725 O GLU A 75 2.863 -9.431 -0.087 1.00 0.00 O ATOM 726 CB GLU A 75 5.347 -9.561 2.023 1.00 0.00 C ATOM 727 CG GLU A 75 6.866 -9.594 2.284 1.00 0.00 C ATOM 728 CD GLU A 75 7.713 -9.901 1.034 1.00 0.00 C ATOM 729 OE1 GLU A 75 7.956 -11.093 0.746 1.00 0.00 O ATOM 730 OE2 GLU A 75 8.143 -8.954 0.337 1.00 0.00 O ATOM 0 H GLU A 75 5.654 -7.073 2.175 1.00 0.00 H new ATOM 0 HA GLU A 75 5.360 -8.861 -0.025 1.00 0.00 H new ATOM 0 HB2 GLU A 75 4.841 -9.299 2.952 1.00 0.00 H new ATOM 0 HB3 GLU A 75 5.019 -10.565 1.754 1.00 0.00 H new ATOM 0 HG2 GLU A 75 7.175 -8.631 2.691 1.00 0.00 H new ATOM 0 HG3 GLU A 75 7.077 -10.345 3.046 1.00 0.00 H new ATOM 737 N ILE A 76 2.627 -7.857 1.508 1.00 0.00 N ATOM 738 CA ILE A 76 1.146 -7.846 1.506 1.00 0.00 C ATOM 739 C ILE A 76 0.574 -7.217 0.214 1.00 0.00 C ATOM 740 O ILE A 76 -0.319 -7.795 -0.424 1.00 0.00 O ATOM 741 CB ILE A 76 0.634 -7.078 2.769 1.00 0.00 C ATOM 742 CG1 ILE A 76 1.204 -7.759 4.052 1.00 0.00 C ATOM 743 CG2 ILE A 76 -0.913 -6.991 2.814 1.00 0.00 C ATOM 744 CD1 ILE A 76 1.024 -6.961 5.314 1.00 0.00 C ATOM 0 H ILE A 76 3.039 -7.188 2.159 1.00 0.00 H new ATOM 0 HA ILE A 76 0.795 -8.878 1.537 1.00 0.00 H new ATOM 0 HB ILE A 76 0.994 -6.051 2.717 1.00 0.00 H new ATOM 0 HG12 ILE A 76 0.722 -8.728 4.178 1.00 0.00 H new ATOM 0 HG13 ILE A 76 2.267 -7.949 3.906 1.00 0.00 H new ATOM 0 HG21 ILE A 76 -1.221 -6.449 3.708 1.00 0.00 H new ATOM 0 HG22 ILE A 76 -1.274 -6.466 1.929 1.00 0.00 H new ATOM 0 HG23 ILE A 76 -1.333 -7.996 2.836 1.00 0.00 H new ATOM 0 HD11 ILE A 76 1.449 -7.509 6.155 1.00 0.00 H new ATOM 0 HD12 ILE A 76 1.531 -6.001 5.213 1.00 0.00 H new ATOM 0 HD13 ILE A 76 -0.039 -6.793 5.490 1.00 0.00 H new ATOM 756 N ILE A 77 1.103 -6.037 -0.159 1.00 0.00 N ATOM 757 CA ILE A 77 0.676 -5.314 -1.381 1.00 0.00 C ATOM 758 C ILE A 77 1.069 -6.104 -2.655 1.00 0.00 C ATOM 759 O ILE A 77 0.289 -6.168 -3.620 1.00 0.00 O ATOM 760 CB ILE A 77 1.240 -3.830 -1.415 1.00 0.00 C ATOM 761 CG1 ILE A 77 0.944 -3.108 -2.775 1.00 0.00 C ATOM 762 CG2 ILE A 77 2.746 -3.785 -1.091 1.00 0.00 C ATOM 763 CD1 ILE A 77 1.500 -1.690 -2.883 1.00 0.00 C ATOM 0 H ILE A 77 1.832 -5.558 0.370 1.00 0.00 H new ATOM 0 HA ILE A 77 -0.411 -5.238 -1.358 1.00 0.00 H new ATOM 0 HB ILE A 77 0.709 -3.284 -0.635 1.00 0.00 H new ATOM 0 HG12 ILE A 77 1.357 -3.708 -3.586 1.00 0.00 H new ATOM 0 HG13 ILE A 77 -0.135 -3.072 -2.923 1.00 0.00 H new ATOM 0 HG21 ILE A 77 3.095 -2.753 -1.124 1.00 0.00 H new ATOM 0 HG22 ILE A 77 2.916 -4.194 -0.095 1.00 0.00 H new ATOM 0 HG23 ILE A 77 3.294 -4.377 -1.824 1.00 0.00 H new ATOM 0 HD11 ILE A 77 1.245 -1.273 -3.857 1.00 0.00 H new ATOM 0 HD12 ILE A 77 1.068 -1.069 -2.098 1.00 0.00 H new ATOM 0 HD13 ILE A 77 2.584 -1.715 -2.771 1.00 0.00 H new ATOM 775 N THR A 78 2.255 -6.755 -2.630 1.00 0.00 N ATOM 776 CA THR A 78 2.739 -7.566 -3.767 1.00 0.00 C ATOM 777 C THR A 78 1.905 -8.870 -3.895 1.00 0.00 C ATOM 778 O THR A 78 1.723 -9.387 -5.000 1.00 0.00 O ATOM 779 CB THR A 78 4.288 -7.867 -3.670 1.00 0.00 C ATOM 780 OG1 THR A 78 4.817 -8.139 -4.972 1.00 0.00 O ATOM 781 CG2 THR A 78 4.640 -9.054 -2.751 1.00 0.00 C ATOM 0 H THR A 78 2.893 -6.733 -1.834 1.00 0.00 H new ATOM 0 HA THR A 78 2.599 -6.981 -4.676 1.00 0.00 H new ATOM 0 HB THR A 78 4.732 -6.972 -3.234 1.00 0.00 H new ATOM 0 HG1 THR A 78 5.777 -8.323 -4.903 1.00 0.00 H new ATOM 0 HG21 THR A 78 5.721 -9.196 -2.738 1.00 0.00 H new ATOM 0 HG22 THR A 78 4.289 -8.848 -1.740 1.00 0.00 H new ATOM 0 HG23 THR A 78 4.160 -9.958 -3.125 1.00 0.00 H new ATOM 789 N ALA A 79 1.386 -9.369 -2.744 1.00 0.00 N ATOM 790 CA ALA A 79 0.486 -10.551 -2.688 1.00 0.00 C ATOM 791 C ALA A 79 -0.902 -10.228 -3.273 1.00 0.00 C ATOM 792 O ALA A 79 -1.618 -11.129 -3.728 1.00 0.00 O ATOM 793 CB ALA A 79 0.346 -11.055 -1.239 1.00 0.00 C ATOM 0 H ALA A 79 1.579 -8.963 -1.828 1.00 0.00 H new ATOM 0 HA ALA A 79 0.935 -11.337 -3.295 1.00 0.00 H new ATOM 0 HB1 ALA A 79 -0.316 -11.920 -1.217 1.00 0.00 H new ATOM 0 HB2 ALA A 79 1.326 -11.339 -0.856 1.00 0.00 H new ATOM 0 HB3 ALA A 79 -0.071 -10.263 -0.617 1.00 0.00 H new ATOM 799 N ALA A 80 -1.265 -8.928 -3.256 1.00 0.00 N ATOM 800 CA ALA A 80 -2.519 -8.426 -3.855 1.00 0.00 C ATOM 801 C ALA A 80 -2.433 -8.379 -5.401 1.00 0.00 C ATOM 802 O ALA A 80 -3.426 -8.081 -6.074 1.00 0.00 O ATOM 803 CB ALA A 80 -2.851 -7.037 -3.283 1.00 0.00 C ATOM 0 H ALA A 80 -0.697 -8.198 -2.827 1.00 0.00 H new ATOM 0 HA ALA A 80 -3.321 -9.118 -3.598 1.00 0.00 H new ATOM 0 HB1 ALA A 80 -3.776 -6.672 -3.728 1.00 0.00 H new ATOM 0 HB2 ALA A 80 -2.972 -7.108 -2.202 1.00 0.00 H new ATOM 0 HB3 ALA A 80 -2.040 -6.346 -3.513 1.00 0.00 H new ATOM 809 N GLY A 81 -1.233 -8.665 -5.949 1.00 0.00 N ATOM 810 CA GLY A 81 -1.012 -8.737 -7.396 1.00 0.00 C ATOM 811 C GLY A 81 -0.394 -7.472 -7.965 1.00 0.00 C ATOM 812 O GLY A 81 -0.201 -7.375 -9.178 1.00 0.00 O ATOM 0 H GLY A 81 -0.396 -8.851 -5.396 1.00 0.00 H new ATOM 0 HA2 GLY A 81 -0.362 -9.584 -7.617 1.00 0.00 H new ATOM 0 HA3 GLY A 81 -1.963 -8.926 -7.894 1.00 0.00 H new ATOM 816 N TYR A 82 -0.108 -6.485 -7.093 1.00 0.00 N ATOM 817 CA TYR A 82 0.522 -5.210 -7.487 1.00 0.00 C ATOM 818 C TYR A 82 1.846 -5.054 -6.730 1.00 0.00 C ATOM 819 O TYR A 82 1.852 -4.758 -5.535 1.00 0.00 O ATOM 820 CB TYR A 82 -0.428 -4.024 -7.183 1.00 0.00 C ATOM 821 CG TYR A 82 -1.758 -4.063 -7.965 1.00 0.00 C ATOM 822 CD1 TYR A 82 -2.884 -4.727 -7.464 1.00 0.00 C ATOM 823 CD2 TYR A 82 -1.884 -3.443 -9.209 1.00 0.00 C ATOM 824 CE1 TYR A 82 -4.072 -4.762 -8.173 1.00 0.00 C ATOM 825 CE2 TYR A 82 -3.074 -3.476 -9.916 1.00 0.00 C ATOM 826 CZ TYR A 82 -4.162 -4.137 -9.395 1.00 0.00 C ATOM 827 OH TYR A 82 -5.353 -4.165 -10.099 1.00 0.00 O ATOM 0 H TYR A 82 -0.308 -6.550 -6.095 1.00 0.00 H new ATOM 0 HA TYR A 82 0.720 -5.213 -8.559 1.00 0.00 H new ATOM 0 HB2 TYR A 82 -0.647 -4.013 -6.115 1.00 0.00 H new ATOM 0 HB3 TYR A 82 0.088 -3.092 -7.412 1.00 0.00 H new ATOM 0 HD1 TYR A 82 -2.824 -5.221 -6.506 1.00 0.00 H new ATOM 0 HD2 TYR A 82 -1.034 -2.926 -9.630 1.00 0.00 H new ATOM 0 HE1 TYR A 82 -4.928 -5.280 -7.767 1.00 0.00 H new ATOM 0 HE2 TYR A 82 -3.148 -2.984 -10.874 1.00 0.00 H new ATOM 0 HH TYR A 82 -5.247 -3.675 -10.941 1.00 0.00 H new ATOM 837 N THR A 83 2.960 -5.268 -7.439 1.00 0.00 N ATOM 838 CA THR A 83 4.311 -5.190 -6.866 1.00 0.00 C ATOM 839 C THR A 83 4.831 -3.726 -6.905 1.00 0.00 C ATOM 840 O THR A 83 4.934 -3.132 -7.987 1.00 0.00 O ATOM 841 CB THR A 83 5.289 -6.187 -7.599 1.00 0.00 C ATOM 842 OG1 THR A 83 6.633 -6.041 -7.124 1.00 0.00 O ATOM 843 CG2 THR A 83 5.270 -6.048 -9.130 1.00 0.00 C ATOM 0 H THR A 83 2.951 -5.502 -8.432 1.00 0.00 H new ATOM 0 HA THR A 83 4.269 -5.495 -5.820 1.00 0.00 H new ATOM 0 HB THR A 83 4.920 -7.184 -7.358 1.00 0.00 H new ATOM 0 HG1 THR A 83 7.217 -6.672 -7.594 1.00 0.00 H new ATOM 0 HG21 THR A 83 5.965 -6.763 -9.569 1.00 0.00 H new ATOM 0 HG22 THR A 83 4.264 -6.245 -9.501 1.00 0.00 H new ATOM 0 HG23 THR A 83 5.567 -5.036 -9.407 1.00 0.00 H new ATOM 851 N PRO A 84 5.097 -3.090 -5.715 1.00 0.00 N ATOM 852 CA PRO A 84 5.708 -1.744 -5.646 1.00 0.00 C ATOM 853 C PRO A 84 7.236 -1.804 -5.846 1.00 0.00 C ATOM 854 O PRO A 84 7.881 -2.786 -5.452 1.00 0.00 O ATOM 855 CB PRO A 84 5.322 -1.269 -4.222 1.00 0.00 C ATOM 856 CG PRO A 84 5.306 -2.527 -3.412 1.00 0.00 C ATOM 857 CD PRO A 84 4.802 -3.617 -4.347 1.00 0.00 C ATOM 0 HA PRO A 84 5.362 -1.068 -6.428 1.00 0.00 H new ATOM 0 HB2 PRO A 84 6.044 -0.552 -3.831 1.00 0.00 H new ATOM 0 HB3 PRO A 84 4.349 -0.778 -4.215 1.00 0.00 H new ATOM 0 HG2 PRO A 84 6.302 -2.763 -3.037 1.00 0.00 H new ATOM 0 HG3 PRO A 84 4.655 -2.425 -2.544 1.00 0.00 H new ATOM 0 HD2 PRO A 84 5.311 -4.564 -4.166 1.00 0.00 H new ATOM 0 HD3 PRO A 84 3.736 -3.797 -4.211 1.00 0.00 H new ATOM 865 N GLU A 85 7.807 -0.741 -6.436 1.00 0.00 N ATOM 866 CA GLU A 85 9.246 -0.677 -6.759 1.00 0.00 C ATOM 867 C GLU A 85 10.032 -0.314 -5.478 1.00 0.00 C ATOM 868 O GLU A 85 10.135 0.890 -5.155 1.00 0.00 O ATOM 869 CB GLU A 85 9.534 0.360 -7.895 1.00 0.00 C ATOM 870 CG GLU A 85 8.769 0.153 -9.224 1.00 0.00 C ATOM 871 CD GLU A 85 7.263 0.459 -9.126 1.00 0.00 C ATOM 872 OE1 GLU A 85 6.912 1.552 -8.649 1.00 0.00 O ATOM 873 OE2 GLU A 85 6.434 -0.383 -9.530 1.00 0.00 O ATOM 874 OXT GLU A 85 10.495 -1.231 -4.771 1.00 0.00 O ATOM 0 H GLU A 85 7.289 0.096 -6.702 1.00 0.00 H new ATOM 0 HA GLU A 85 9.568 -1.652 -7.126 1.00 0.00 H new ATOM 0 HB2 GLU A 85 9.300 1.355 -7.517 1.00 0.00 H new ATOM 0 HB3 GLU A 85 10.603 0.344 -8.110 1.00 0.00 H new ATOM 0 HG2 GLU A 85 9.211 0.790 -9.990 1.00 0.00 H new ATOM 0 HG3 GLU A 85 8.901 -0.878 -9.552 1.00 0.00 H new