USER MOD reduce.3.24.130724 H: found=0, std=0, add=522, rem=0, adj=24 USER MOD reduce.3.24.130724 removed 522 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 3 SER OG : rot 180:sc= 0.00511 USER MOD Set 1.2: A 47 TYR OH : rot 180:sc= 0 USER MOD Single : A 4 THR OG1 : rot 25:sc= 0.757 USER MOD Single : A 6 THR OG1 : rot 180:sc= 0 USER MOD Single : A 12 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Single : A 13 HIS : no HE2:sc= -0.288 X(o=-0.29,f=-0.76) USER MOD Single : A 14 CYS SG : rot 180:sc= -0.071 USER MOD Single : A 15 LYS NZ :NH3+ 160:sc= 1.15 (180deg=0.026!) USER MOD Single : A 16 SER OG : rot 180:sc= 0.0164 USER MOD Single : A 17 CYS SG : rot -76:sc= -0.0193 USER MOD Single : A 19 SER OG : rot 180:sc= 0 USER MOD Single : A 20 ASN : amide:sc= -0.0133 X(o=-0.013,f=-0.067) USER MOD Single : A 23 SER OG : rot 78:sc= 1.27 USER MOD Single : A 24 THR OG1 : rot 83:sc= 0.515 USER MOD Single : A 26 SER OG : rot -38:sc= 0.978 USER MOD Single : A 29 GLN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 30 TYR OH : rot 180:sc= 0 USER MOD Single : A 32 SER OG : rot -26:sc= 0.36 USER MOD Single : A 33 SER OG : rot 180:sc= 0.0114 USER MOD Single : A 37 SER OG : rot 180:sc= 0 USER MOD Single : A 40 ASN : amide:sc= -0.426 X(o=-0.43,f=0) USER MOD Single : A 42 SER OG : rot 180:sc= 0 USER MOD Single : A 48 ASN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 56 SER OG : rot -39:sc= 1.25 USER MOD Single : A 59 LYS NZ :NH3+ -148:sc= 1.17 (180deg=0.847) USER MOD Single : A 65 SER OG : rot 108:sc= 1.69 USER MOD Single : A 69 TYR OH : rot 180:sc= -0.0651 USER MOD Single : A 72 SER OG : rot 22:sc= 0.673 USER MOD Single : A 74 THR OG1 : rot 180:sc= 0 USER MOD ----------------------------------------------------------------- ATOM 15 N ASP A 2 -10.705 -12.086 -5.587 1.00 0.00 N ATOM 16 CA ASP A 2 -10.075 -10.920 -5.004 1.00 0.00 C ATOM 17 C ASP A 2 -10.127 -9.737 -5.988 1.00 0.00 C ATOM 18 O ASP A 2 -10.509 -9.872 -7.150 1.00 0.00 O ATOM 19 CB ASP A 2 -8.626 -11.285 -4.625 1.00 0.00 C ATOM 20 CG ASP A 2 -7.839 -11.940 -5.777 1.00 0.00 C ATOM 21 OD1 ASP A 2 -7.377 -11.201 -6.673 1.00 0.00 O ATOM 22 OD2 ASP A 2 -7.730 -13.189 -5.765 1.00 0.00 O ATOM 0 HA ASP A 2 -10.607 -10.611 -4.105 1.00 0.00 H new ATOM 0 HB2 ASP A 2 -8.104 -10.383 -4.305 1.00 0.00 H new ATOM 0 HB3 ASP A 2 -8.641 -11.964 -3.773 1.00 0.00 H new ATOM 27 N SER A 3 -9.770 -8.562 -5.491 1.00 0.00 N ATOM 28 CA SER A 3 -9.504 -7.353 -6.257 1.00 0.00 C ATOM 29 C SER A 3 -8.028 -6.982 -6.082 1.00 0.00 C ATOM 30 O SER A 3 -7.273 -7.651 -5.374 1.00 0.00 O ATOM 31 CB SER A 3 -10.371 -6.187 -5.762 1.00 0.00 C ATOM 32 OG SER A 3 -10.567 -5.240 -6.799 1.00 0.00 O ATOM 0 H SER A 3 -9.652 -8.419 -4.488 1.00 0.00 H new ATOM 0 HA SER A 3 -9.739 -7.539 -7.305 1.00 0.00 H new ATOM 0 HB2 SER A 3 -11.334 -6.563 -5.418 1.00 0.00 H new ATOM 0 HB3 SER A 3 -9.893 -5.707 -4.908 1.00 0.00 H new ATOM 0 HG SER A 3 -11.123 -4.504 -6.469 1.00 0.00 H new ATOM 38 N THR A 4 -7.604 -5.871 -6.681 1.00 0.00 N ATOM 39 CA THR A 4 -6.207 -5.428 -6.703 1.00 0.00 C ATOM 40 C THR A 4 -6.138 -3.951 -7.030 1.00 0.00 C ATOM 41 O THR A 4 -6.971 -3.414 -7.756 1.00 0.00 O ATOM 42 CB THR A 4 -5.383 -6.290 -7.676 1.00 0.00 C ATOM 43 OG1 THR A 4 -5.070 -7.480 -7.013 1.00 0.00 O ATOM 44 CG2 THR A 4 -4.024 -5.726 -8.100 1.00 0.00 C ATOM 0 H THR A 4 -8.233 -5.239 -7.176 1.00 0.00 H new ATOM 0 HA THR A 4 -5.766 -5.562 -5.715 1.00 0.00 H new ATOM 0 HB THR A 4 -6.003 -6.373 -8.569 1.00 0.00 H new ATOM 0 HG1 THR A 4 -5.736 -7.650 -6.314 1.00 0.00 H new ATOM 0 HG21 THR A 4 -3.539 -6.422 -8.785 1.00 0.00 H new ATOM 0 HG22 THR A 4 -4.167 -4.767 -8.598 1.00 0.00 H new ATOM 0 HG23 THR A 4 -3.397 -5.587 -7.219 1.00 0.00 H new ATOM 52 N ALA A 5 -5.116 -3.306 -6.478 1.00 0.00 N ATOM 53 CA ALA A 5 -4.711 -1.949 -6.805 1.00 0.00 C ATOM 54 C ALA A 5 -3.203 -1.752 -6.567 1.00 0.00 C ATOM 55 O ALA A 5 -2.567 -2.501 -5.806 1.00 0.00 O ATOM 56 CB ALA A 5 -5.561 -0.963 -5.995 1.00 0.00 C ATOM 0 H ALA A 5 -4.526 -3.733 -5.764 1.00 0.00 H new ATOM 0 HA ALA A 5 -4.882 -1.759 -7.865 1.00 0.00 H new ATOM 0 HB1 ALA A 5 -5.263 0.057 -6.235 1.00 0.00 H new ATOM 0 HB2 ALA A 5 -6.613 -1.101 -6.243 1.00 0.00 H new ATOM 0 HB3 ALA A 5 -5.412 -1.143 -4.930 1.00 0.00 H new ATOM 62 N THR A 6 -2.656 -0.719 -7.220 1.00 0.00 N ATOM 63 CA THR A 6 -1.258 -0.295 -7.120 1.00 0.00 C ATOM 64 C THR A 6 -1.193 1.111 -6.559 1.00 0.00 C ATOM 65 O THR A 6 -1.897 2.001 -7.035 1.00 0.00 O ATOM 66 CB THR A 6 -0.573 -0.279 -8.483 1.00 0.00 C ATOM 67 OG1 THR A 6 -0.787 -1.507 -9.135 1.00 0.00 O ATOM 68 CG2 THR A 6 0.929 -0.057 -8.334 1.00 0.00 C ATOM 0 H THR A 6 -3.198 -0.135 -7.856 1.00 0.00 H new ATOM 0 HA THR A 6 -0.750 -1.008 -6.470 1.00 0.00 H new ATOM 0 HB THR A 6 -0.997 0.538 -9.067 1.00 0.00 H new ATOM 0 HG1 THR A 6 -0.347 -1.493 -10.011 1.00 0.00 H new ATOM 0 HG21 THR A 6 1.395 -0.050 -9.319 1.00 0.00 H new ATOM 0 HG22 THR A 6 1.108 0.898 -7.840 1.00 0.00 H new ATOM 0 HG23 THR A 6 1.358 -0.861 -7.736 1.00 0.00 H new ATOM 76 N PHE A 7 -0.290 1.306 -5.605 1.00 0.00 N ATOM 77 CA PHE A 7 -0.078 2.564 -4.898 1.00 0.00 C ATOM 78 C PHE A 7 1.402 2.940 -4.879 1.00 0.00 C ATOM 79 O PHE A 7 2.279 2.079 -4.814 1.00 0.00 O ATOM 80 CB PHE A 7 -0.621 2.499 -3.460 1.00 0.00 C ATOM 81 CG PHE A 7 -2.032 1.939 -3.339 1.00 0.00 C ATOM 82 CD1 PHE A 7 -2.271 0.548 -3.396 1.00 0.00 C ATOM 83 CD2 PHE A 7 -3.131 2.819 -3.256 1.00 0.00 C ATOM 84 CE1 PHE A 7 -3.577 0.053 -3.430 1.00 0.00 C ATOM 85 CE2 PHE A 7 -4.443 2.316 -3.261 1.00 0.00 C ATOM 86 CZ PHE A 7 -4.665 0.936 -3.365 1.00 0.00 C ATOM 0 H PHE A 7 0.337 0.566 -5.291 1.00 0.00 H new ATOM 0 HA PHE A 7 -0.628 3.334 -5.439 1.00 0.00 H new ATOM 0 HB2 PHE A 7 0.051 1.887 -2.859 1.00 0.00 H new ATOM 0 HB3 PHE A 7 -0.605 3.502 -3.034 1.00 0.00 H new ATOM 0 HD1 PHE A 7 -1.437 -0.138 -3.413 1.00 0.00 H new ATOM 0 HD2 PHE A 7 -2.963 3.884 -3.188 1.00 0.00 H new ATOM 0 HE1 PHE A 7 -3.749 -1.010 -3.506 1.00 0.00 H new ATOM 0 HE2 PHE A 7 -5.281 2.993 -3.185 1.00 0.00 H new ATOM 0 HZ PHE A 7 -5.674 0.552 -3.395 1.00 0.00 H new ATOM 96 N ILE A 8 1.682 4.238 -4.889 1.00 0.00 N ATOM 97 CA ILE A 8 3.019 4.804 -4.908 1.00 0.00 C ATOM 98 C ILE A 8 3.153 5.879 -3.847 1.00 0.00 C ATOM 99 O ILE A 8 2.218 6.645 -3.639 1.00 0.00 O ATOM 100 CB ILE A 8 3.312 5.300 -6.339 1.00 0.00 C ATOM 101 CG1 ILE A 8 4.814 5.579 -6.479 1.00 0.00 C ATOM 102 CG2 ILE A 8 2.482 6.520 -6.788 1.00 0.00 C ATOM 103 CD1 ILE A 8 5.321 5.406 -7.909 1.00 0.00 C ATOM 0 H ILE A 8 0.952 4.951 -4.884 1.00 0.00 H new ATOM 0 HA ILE A 8 3.770 4.055 -4.657 1.00 0.00 H new ATOM 0 HB ILE A 8 3.003 4.498 -7.010 1.00 0.00 H new ATOM 0 HG12 ILE A 8 5.022 6.596 -6.146 1.00 0.00 H new ATOM 0 HG13 ILE A 8 5.366 4.909 -5.820 1.00 0.00 H new ATOM 0 HG21 ILE A 8 2.759 6.794 -7.806 1.00 0.00 H new ATOM 0 HG22 ILE A 8 1.421 6.271 -6.755 1.00 0.00 H new ATOM 0 HG23 ILE A 8 2.678 7.359 -6.121 1.00 0.00 H new ATOM 0 HD11 ILE A 8 6.390 5.617 -7.944 1.00 0.00 H new ATOM 0 HD12 ILE A 8 5.142 4.382 -8.237 1.00 0.00 H new ATOM 0 HD13 ILE A 8 4.793 6.095 -8.568 1.00 0.00 H new ATOM 115 N ILE A 9 4.291 5.873 -3.154 1.00 0.00 N ATOM 116 CA ILE A 9 4.581 6.693 -1.991 1.00 0.00 C ATOM 117 C ILE A 9 5.725 7.652 -2.313 1.00 0.00 C ATOM 118 O ILE A 9 6.877 7.237 -2.420 1.00 0.00 O ATOM 119 CB ILE A 9 5.018 5.798 -0.803 1.00 0.00 C ATOM 120 CG1 ILE A 9 4.119 4.577 -0.482 1.00 0.00 C ATOM 121 CG2 ILE A 9 5.185 6.689 0.442 1.00 0.00 C ATOM 122 CD1 ILE A 9 4.357 3.324 -1.316 1.00 0.00 C ATOM 0 H ILE A 9 5.070 5.265 -3.405 1.00 0.00 H new ATOM 0 HA ILE A 9 3.682 7.249 -1.726 1.00 0.00 H new ATOM 0 HB ILE A 9 5.957 5.339 -1.113 1.00 0.00 H new ATOM 0 HG12 ILE A 9 4.255 4.319 0.568 1.00 0.00 H new ATOM 0 HG13 ILE A 9 3.078 4.877 -0.605 1.00 0.00 H new ATOM 0 HG21 ILE A 9 5.493 6.076 1.289 1.00 0.00 H new ATOM 0 HG22 ILE A 9 5.944 7.447 0.248 1.00 0.00 H new ATOM 0 HG23 ILE A 9 4.237 7.175 0.671 1.00 0.00 H new ATOM 0 HD11 ILE A 9 3.669 2.540 -0.999 1.00 0.00 H new ATOM 0 HD12 ILE A 9 4.189 3.550 -2.369 1.00 0.00 H new ATOM 0 HD13 ILE A 9 5.383 2.984 -1.177 1.00 0.00 H new ATOM 134 N ASP A 10 5.449 8.947 -2.404 1.00 0.00 N ATOM 135 CA ASP A 10 6.527 9.940 -2.461 1.00 0.00 C ATOM 136 C ASP A 10 6.946 10.331 -1.038 1.00 0.00 C ATOM 137 O ASP A 10 6.152 10.857 -0.263 1.00 0.00 O ATOM 138 CB ASP A 10 6.122 11.170 -3.286 1.00 0.00 C ATOM 139 CG ASP A 10 7.090 11.493 -4.418 1.00 0.00 C ATOM 140 OD1 ASP A 10 7.475 10.563 -5.163 1.00 0.00 O ATOM 141 OD2 ASP A 10 7.483 12.679 -4.497 1.00 0.00 O ATOM 0 H ASP A 10 4.506 9.335 -2.440 1.00 0.00 H new ATOM 0 HA ASP A 10 7.383 9.493 -2.967 1.00 0.00 H new ATOM 0 HB2 ASP A 10 5.129 11.005 -3.705 1.00 0.00 H new ATOM 0 HB3 ASP A 10 6.050 12.033 -2.624 1.00 0.00 H new ATOM 146 N GLY A 11 8.212 10.081 -0.702 1.00 0.00 N ATOM 147 CA GLY A 11 8.813 10.451 0.591 1.00 0.00 C ATOM 148 C GLY A 11 9.065 9.257 1.506 1.00 0.00 C ATOM 149 O GLY A 11 9.442 9.431 2.663 1.00 0.00 O ATOM 0 H GLY A 11 8.864 9.608 -1.328 1.00 0.00 H new ATOM 0 HA2 GLY A 11 9.756 10.966 0.410 1.00 0.00 H new ATOM 0 HA3 GLY A 11 8.156 11.157 1.100 1.00 0.00 H new ATOM 153 N MET A 12 8.889 8.032 1.007 1.00 0.00 N ATOM 154 CA MET A 12 9.268 6.828 1.744 1.00 0.00 C ATOM 155 C MET A 12 10.790 6.812 2.023 1.00 0.00 C ATOM 156 O MET A 12 11.604 7.161 1.175 1.00 0.00 O ATOM 157 CB MET A 12 8.689 5.589 1.034 1.00 0.00 C ATOM 158 CG MET A 12 9.509 4.986 -0.100 1.00 0.00 C ATOM 159 SD MET A 12 10.138 6.125 -1.364 1.00 0.00 S ATOM 160 CE MET A 12 11.681 5.274 -1.784 1.00 0.00 C ATOM 0 H MET A 12 8.484 7.849 0.089 1.00 0.00 H new ATOM 0 HA MET A 12 8.826 6.816 2.740 1.00 0.00 H new ATOM 0 HB2 MET A 12 8.530 4.814 1.784 1.00 0.00 H new ATOM 0 HB3 MET A 12 7.709 5.855 0.637 1.00 0.00 H new ATOM 0 HG2 MET A 12 10.360 4.465 0.338 1.00 0.00 H new ATOM 0 HG3 MET A 12 8.896 4.234 -0.597 1.00 0.00 H new ATOM 0 HE1 MET A 12 12.208 5.836 -2.555 1.00 0.00 H new ATOM 0 HE2 MET A 12 12.309 5.199 -0.896 1.00 0.00 H new ATOM 0 HE3 MET A 12 11.456 4.274 -2.154 1.00 0.00 H new ATOM 170 N HIS A 13 11.189 6.410 3.231 1.00 0.00 N ATOM 171 CA HIS A 13 12.568 6.603 3.729 1.00 0.00 C ATOM 172 C HIS A 13 13.705 6.034 2.850 1.00 0.00 C ATOM 173 O HIS A 13 14.820 6.550 2.898 1.00 0.00 O ATOM 174 CB HIS A 13 12.699 5.937 5.109 1.00 0.00 C ATOM 175 CG HIS A 13 11.747 6.355 6.203 1.00 0.00 C ATOM 176 ND1 HIS A 13 11.736 5.825 7.475 1.00 0.00 N ATOM 177 CD2 HIS A 13 10.752 7.295 6.156 1.00 0.00 C ATOM 178 CE1 HIS A 13 10.744 6.408 8.165 1.00 0.00 C ATOM 179 NE2 HIS A 13 10.112 7.302 7.396 1.00 0.00 N ATOM 0 H HIS A 13 10.574 5.942 3.896 1.00 0.00 H new ATOM 0 HA HIS A 13 12.698 7.685 3.738 1.00 0.00 H new ATOM 0 HB2 HIS A 13 12.592 4.861 4.970 1.00 0.00 H new ATOM 0 HB3 HIS A 13 13.713 6.113 5.467 1.00 0.00 H new ATOM 0 HD1 HIS A 13 12.373 5.112 7.831 1.00 0.00 H new ATOM 0 HD2 HIS A 13 10.506 7.920 5.310 1.00 0.00 H new ATOM 0 HE1 HIS A 13 10.492 6.188 9.192 1.00 0.00 H new ATOM 187 N CYS A 14 13.418 4.925 2.157 1.00 0.00 N ATOM 188 CA CYS A 14 14.276 3.990 1.403 1.00 0.00 C ATOM 189 C CYS A 14 13.708 2.572 1.568 1.00 0.00 C ATOM 190 O CYS A 14 12.639 2.382 2.140 1.00 0.00 O ATOM 191 CB CYS A 14 15.765 4.013 1.839 1.00 0.00 C ATOM 192 SG CYS A 14 15.922 3.534 3.585 1.00 0.00 S ATOM 0 H CYS A 14 12.447 4.618 2.103 1.00 0.00 H new ATOM 0 HA CYS A 14 14.266 4.308 0.361 1.00 0.00 H new ATOM 0 HB2 CYS A 14 16.344 3.332 1.215 1.00 0.00 H new ATOM 0 HB3 CYS A 14 16.179 5.010 1.690 1.00 0.00 H new ATOM 0 HG CYS A 14 17.175 3.557 3.930 1.00 0.00 H new ATOM 198 N LYS A 15 14.488 1.578 1.138 1.00 0.00 N ATOM 199 CA LYS A 15 14.388 0.132 1.389 1.00 0.00 C ATOM 200 C LYS A 15 13.541 -0.245 2.624 1.00 0.00 C ATOM 201 O LYS A 15 12.481 -0.839 2.463 1.00 0.00 O ATOM 202 CB LYS A 15 15.864 -0.316 1.507 1.00 0.00 C ATOM 203 CG LYS A 15 16.474 -0.843 0.195 1.00 0.00 C ATOM 204 CD LYS A 15 16.297 0.021 -1.067 1.00 0.00 C ATOM 205 CE LYS A 15 16.706 -0.804 -2.295 1.00 0.00 C ATOM 206 NZ LYS A 15 16.504 -0.082 -3.567 1.00 0.00 N ATOM 0 H LYS A 15 15.290 1.784 0.543 1.00 0.00 H new ATOM 0 HA LYS A 15 13.851 -0.378 0.589 1.00 0.00 H new ATOM 0 HB2 LYS A 15 16.460 0.526 1.858 1.00 0.00 H new ATOM 0 HB3 LYS A 15 15.935 -1.095 2.266 1.00 0.00 H new ATOM 0 HG2 LYS A 15 17.542 -0.990 0.355 1.00 0.00 H new ATOM 0 HG3 LYS A 15 16.044 -1.824 -0.006 1.00 0.00 H new ATOM 0 HD2 LYS A 15 15.261 0.346 -1.159 1.00 0.00 H new ATOM 0 HD3 LYS A 15 16.908 0.921 -0.997 1.00 0.00 H new ATOM 0 HE2 LYS A 15 17.756 -1.084 -2.205 1.00 0.00 H new ATOM 0 HE3 LYS A 15 16.130 -1.729 -2.313 1.00 0.00 H new ATOM 0 HZ1 LYS A 15 17.088 -0.517 -4.310 1.00 0.00 H new ATOM 0 HZ2 LYS A 15 15.502 -0.133 -3.840 1.00 0.00 H new ATOM 0 HZ3 LYS A 15 16.780 0.914 -3.449 1.00 0.00 H new ATOM 220 N SER A 16 13.907 0.175 3.833 1.00 0.00 N ATOM 221 CA SER A 16 13.184 -0.145 5.080 1.00 0.00 C ATOM 222 C SER A 16 11.703 0.267 5.117 1.00 0.00 C ATOM 223 O SER A 16 11.006 -0.184 6.018 1.00 0.00 O ATOM 224 CB SER A 16 13.900 0.497 6.275 1.00 0.00 C ATOM 225 OG SER A 16 15.309 0.367 6.152 1.00 0.00 O ATOM 0 H SER A 16 14.729 0.759 3.985 1.00 0.00 H new ATOM 0 HA SER A 16 13.192 -1.234 5.130 1.00 0.00 H new ATOM 0 HB2 SER A 16 13.633 1.552 6.340 1.00 0.00 H new ATOM 0 HB3 SER A 16 13.567 0.026 7.200 1.00 0.00 H new ATOM 0 HG SER A 16 15.745 0.785 6.924 1.00 0.00 H new ATOM 231 N CYS A 17 11.190 1.071 4.168 1.00 0.00 N ATOM 232 CA CYS A 17 9.756 1.285 4.014 1.00 0.00 C ATOM 233 C CYS A 17 9.055 -0.058 3.789 1.00 0.00 C ATOM 234 O CYS A 17 8.066 -0.338 4.460 1.00 0.00 O ATOM 235 CB CYS A 17 9.479 2.301 2.881 1.00 0.00 C ATOM 236 SG CYS A 17 9.856 1.699 1.205 1.00 0.00 S ATOM 0 H CYS A 17 11.761 1.583 3.495 1.00 0.00 H new ATOM 0 HA CYS A 17 9.347 1.718 4.927 1.00 0.00 H new ATOM 0 HB2 CYS A 17 8.429 2.590 2.920 1.00 0.00 H new ATOM 0 HB3 CYS A 17 10.064 3.201 3.069 1.00 0.00 H new ATOM 0 HG CYS A 17 11.143 1.710 1.019 1.00 0.00 H new ATOM 242 N VAL A 18 9.615 -0.902 2.921 1.00 0.00 N ATOM 243 CA VAL A 18 8.994 -2.123 2.409 1.00 0.00 C ATOM 244 C VAL A 18 8.559 -3.055 3.531 1.00 0.00 C ATOM 245 O VAL A 18 7.395 -3.440 3.560 1.00 0.00 O ATOM 246 CB VAL A 18 9.965 -2.800 1.406 1.00 0.00 C ATOM 247 CG1 VAL A 18 9.918 -4.330 1.346 1.00 0.00 C ATOM 248 CG2 VAL A 18 9.749 -2.141 0.033 1.00 0.00 C ATOM 0 H VAL A 18 10.549 -0.747 2.541 1.00 0.00 H new ATOM 0 HA VAL A 18 8.076 -1.866 1.880 1.00 0.00 H new ATOM 0 HB VAL A 18 10.979 -2.630 1.769 1.00 0.00 H new ATOM 0 HG11 VAL A 18 10.639 -4.688 0.611 1.00 0.00 H new ATOM 0 HG12 VAL A 18 10.164 -4.740 2.325 1.00 0.00 H new ATOM 0 HG13 VAL A 18 8.917 -4.652 1.059 1.00 0.00 H new ATOM 0 HG21 VAL A 18 10.418 -2.595 -0.698 1.00 0.00 H new ATOM 0 HG22 VAL A 18 8.716 -2.286 -0.282 1.00 0.00 H new ATOM 0 HG23 VAL A 18 9.960 -1.074 0.104 1.00 0.00 H new ATOM 258 N SER A 19 9.439 -3.291 4.503 1.00 0.00 N ATOM 259 CA SER A 19 9.158 -4.169 5.649 1.00 0.00 C ATOM 260 C SER A 19 7.923 -3.698 6.443 1.00 0.00 C ATOM 261 O SER A 19 7.082 -4.490 6.882 1.00 0.00 O ATOM 262 CB SER A 19 10.416 -4.144 6.534 1.00 0.00 C ATOM 263 OG SER A 19 10.318 -4.984 7.670 1.00 0.00 O ATOM 0 H SER A 19 10.372 -2.879 4.522 1.00 0.00 H new ATOM 0 HA SER A 19 8.930 -5.178 5.307 1.00 0.00 H new ATOM 0 HB2 SER A 19 11.277 -4.448 5.939 1.00 0.00 H new ATOM 0 HB3 SER A 19 10.601 -3.121 6.862 1.00 0.00 H new ATOM 0 HG SER A 19 11.146 -4.927 8.191 1.00 0.00 H new ATOM 269 N ASN A 20 7.774 -2.380 6.591 1.00 0.00 N ATOM 270 CA ASN A 20 6.607 -1.771 7.227 1.00 0.00 C ATOM 271 C ASN A 20 5.350 -1.834 6.357 1.00 0.00 C ATOM 272 O ASN A 20 4.257 -2.022 6.890 1.00 0.00 O ATOM 273 CB ASN A 20 6.894 -0.301 7.503 1.00 0.00 C ATOM 274 CG ASN A 20 8.172 -0.064 8.285 1.00 0.00 C ATOM 275 OD1 ASN A 20 8.585 -0.830 9.141 1.00 0.00 O ATOM 276 ND2 ASN A 20 8.858 1.011 7.963 1.00 0.00 N ATOM 0 H ASN A 20 8.465 -1.702 6.270 1.00 0.00 H new ATOM 0 HA ASN A 20 6.423 -2.335 8.141 1.00 0.00 H new ATOM 0 HB2 ASN A 20 6.955 0.232 6.554 1.00 0.00 H new ATOM 0 HB3 ASN A 20 6.057 0.126 8.055 1.00 0.00 H new ATOM 0 HD21 ASN A 20 9.743 1.210 8.430 1.00 0.00 H new ATOM 0 HD22 ASN A 20 8.505 1.645 7.247 1.00 0.00 H new ATOM 283 N ILE A 21 5.479 -1.616 5.042 1.00 0.00 N ATOM 284 CA ILE A 21 4.325 -1.558 4.128 1.00 0.00 C ATOM 285 C ILE A 21 3.731 -2.955 3.961 1.00 0.00 C ATOM 286 O ILE A 21 2.522 -3.098 4.111 1.00 0.00 O ATOM 287 CB ILE A 21 4.650 -0.891 2.766 1.00 0.00 C ATOM 288 CG1 ILE A 21 5.608 0.328 2.898 1.00 0.00 C ATOM 289 CG2 ILE A 21 3.310 -0.557 2.077 1.00 0.00 C ATOM 290 CD1 ILE A 21 5.366 1.528 1.973 1.00 0.00 C ATOM 0 H ILE A 21 6.378 -1.475 4.582 1.00 0.00 H new ATOM 0 HA ILE A 21 3.577 -0.909 4.583 1.00 0.00 H new ATOM 0 HB ILE A 21 5.211 -1.583 2.138 1.00 0.00 H new ATOM 0 HG12 ILE A 21 5.560 0.683 3.927 1.00 0.00 H new ATOM 0 HG13 ILE A 21 6.625 -0.025 2.730 1.00 0.00 H new ATOM 0 HG21 ILE A 21 3.504 -0.085 1.114 1.00 0.00 H new ATOM 0 HG22 ILE A 21 2.741 -1.474 1.924 1.00 0.00 H new ATOM 0 HG23 ILE A 21 2.737 0.125 2.706 1.00 0.00 H new ATOM 0 HD11 ILE A 21 6.108 2.300 2.177 1.00 0.00 H new ATOM 0 HD12 ILE A 21 5.450 1.209 0.934 1.00 0.00 H new ATOM 0 HD13 ILE A 21 4.368 1.928 2.150 1.00 0.00 H new ATOM 302 N GLU A 22 4.588 -3.961 3.761 1.00 0.00 N ATOM 303 CA GLU A 22 4.272 -5.394 3.808 1.00 0.00 C ATOM 304 C GLU A 22 3.433 -5.693 5.060 1.00 0.00 C ATOM 305 O GLU A 22 2.310 -6.187 4.980 1.00 0.00 O ATOM 306 CB GLU A 22 5.611 -6.177 3.845 1.00 0.00 C ATOM 307 CG GLU A 22 6.270 -6.272 2.457 1.00 0.00 C ATOM 308 CD GLU A 22 7.735 -6.750 2.465 1.00 0.00 C ATOM 309 OE1 GLU A 22 8.428 -6.563 3.491 1.00 0.00 O ATOM 310 OE2 GLU A 22 8.172 -7.241 1.401 1.00 0.00 O ATOM 0 H GLU A 22 5.571 -3.790 3.551 1.00 0.00 H new ATOM 0 HA GLU A 22 3.695 -5.694 2.933 1.00 0.00 H new ATOM 0 HB2 GLU A 22 6.296 -5.688 4.538 1.00 0.00 H new ATOM 0 HB3 GLU A 22 5.432 -7.181 4.229 1.00 0.00 H new ATOM 0 HG2 GLU A 22 5.685 -6.953 1.839 1.00 0.00 H new ATOM 0 HG3 GLU A 22 6.226 -5.292 1.982 1.00 0.00 H new ATOM 317 N SER A 23 3.960 -5.318 6.223 1.00 0.00 N ATOM 318 CA SER A 23 3.349 -5.630 7.514 1.00 0.00 C ATOM 319 C SER A 23 2.050 -4.884 7.832 1.00 0.00 C ATOM 320 O SER A 23 1.106 -5.497 8.325 1.00 0.00 O ATOM 321 CB SER A 23 4.370 -5.324 8.621 1.00 0.00 C ATOM 322 OG SER A 23 5.567 -6.062 8.462 1.00 0.00 O ATOM 0 H SER A 23 4.827 -4.786 6.297 1.00 0.00 H new ATOM 0 HA SER A 23 3.075 -6.684 7.461 1.00 0.00 H new ATOM 0 HB2 SER A 23 4.599 -4.258 8.618 1.00 0.00 H new ATOM 0 HB3 SER A 23 3.930 -5.552 9.592 1.00 0.00 H new ATOM 0 HG SER A 23 6.113 -5.652 7.759 1.00 0.00 H new ATOM 328 N THR A 24 2.004 -3.571 7.583 1.00 0.00 N ATOM 329 CA THR A 24 0.876 -2.695 7.939 1.00 0.00 C ATOM 330 C THR A 24 -0.320 -2.967 7.048 1.00 0.00 C ATOM 331 O THR A 24 -1.460 -2.949 7.506 1.00 0.00 O ATOM 332 CB THR A 24 1.302 -1.216 7.895 1.00 0.00 C ATOM 333 OG1 THR A 24 2.335 -1.071 8.834 1.00 0.00 O ATOM 334 CG2 THR A 24 0.185 -0.260 8.309 1.00 0.00 C ATOM 0 H THR A 24 2.764 -3.074 7.119 1.00 0.00 H new ATOM 0 HA THR A 24 0.573 -2.917 8.962 1.00 0.00 H new ATOM 0 HB THR A 24 1.589 -0.972 6.872 1.00 0.00 H new ATOM 0 HG1 THR A 24 3.185 -1.343 8.430 1.00 0.00 H new ATOM 0 HG21 THR A 24 0.547 0.767 8.257 1.00 0.00 H new ATOM 0 HG22 THR A 24 -0.664 -0.380 7.636 1.00 0.00 H new ATOM 0 HG23 THR A 24 -0.126 -0.484 9.329 1.00 0.00 H new ATOM 342 N LEU A 25 -0.051 -3.220 5.769 1.00 0.00 N ATOM 343 CA LEU A 25 -1.084 -3.585 4.816 1.00 0.00 C ATOM 344 C LEU A 25 -1.531 -5.020 5.008 1.00 0.00 C ATOM 345 O LEU A 25 -2.731 -5.220 5.121 1.00 0.00 O ATOM 346 CB LEU A 25 -0.610 -3.337 3.388 1.00 0.00 C ATOM 347 CG LEU A 25 -0.564 -1.862 2.923 1.00 0.00 C ATOM 348 CD1 LEU A 25 -1.892 -1.515 2.240 1.00 0.00 C ATOM 349 CD2 LEU A 25 -0.252 -0.833 4.027 1.00 0.00 C ATOM 0 H LEU A 25 0.887 -3.177 5.370 1.00 0.00 H new ATOM 0 HA LEU A 25 -1.951 -2.950 4.999 1.00 0.00 H new ATOM 0 HB2 LEU A 25 0.389 -3.760 3.282 1.00 0.00 H new ATOM 0 HB3 LEU A 25 -1.263 -3.888 2.711 1.00 0.00 H new ATOM 0 HG LEU A 25 0.275 -1.790 2.231 1.00 0.00 H new ATOM 0 HD11 LEU A 25 -1.870 -0.477 1.908 1.00 0.00 H new ATOM 0 HD12 LEU A 25 -2.040 -2.168 1.380 1.00 0.00 H new ATOM 0 HD13 LEU A 25 -2.711 -1.653 2.946 1.00 0.00 H new ATOM 0 HD21 LEU A 25 -0.243 0.169 3.598 1.00 0.00 H new ATOM 0 HD22 LEU A 25 -1.016 -0.889 4.803 1.00 0.00 H new ATOM 0 HD23 LEU A 25 0.724 -1.050 4.462 1.00 0.00 H new ATOM 361 N SER A 26 -0.639 -6.014 5.097 1.00 0.00 N ATOM 362 CA SER A 26 -1.084 -7.421 5.140 1.00 0.00 C ATOM 363 C SER A 26 -1.745 -7.809 6.481 1.00 0.00 C ATOM 364 O SER A 26 -1.961 -8.991 6.760 1.00 0.00 O ATOM 365 CB SER A 26 0.081 -8.362 4.820 1.00 0.00 C ATOM 366 OG SER A 26 -0.390 -9.697 4.719 1.00 0.00 O ATOM 0 H SER A 26 0.371 -5.881 5.140 1.00 0.00 H new ATOM 0 HA SER A 26 -1.854 -7.527 4.375 1.00 0.00 H new ATOM 0 HB2 SER A 26 0.555 -8.063 3.885 1.00 0.00 H new ATOM 0 HB3 SER A 26 0.840 -8.293 5.599 1.00 0.00 H new ATOM 0 HG SER A 26 -1.078 -9.854 5.400 1.00 0.00 H new ATOM 372 N ALA A 27 -2.074 -6.817 7.308 1.00 0.00 N ATOM 373 CA ALA A 27 -2.790 -6.965 8.567 1.00 0.00 C ATOM 374 C ALA A 27 -4.276 -6.591 8.424 1.00 0.00 C ATOM 375 O ALA A 27 -5.041 -6.735 9.380 1.00 0.00 O ATOM 376 CB ALA A 27 -2.084 -6.078 9.602 1.00 0.00 C ATOM 0 H ALA A 27 -1.836 -5.846 7.106 1.00 0.00 H new ATOM 0 HA ALA A 27 -2.774 -8.007 8.887 1.00 0.00 H new ATOM 0 HB1 ALA A 27 -2.594 -6.163 10.562 1.00 0.00 H new ATOM 0 HB2 ALA A 27 -1.048 -6.400 9.711 1.00 0.00 H new ATOM 0 HB3 ALA A 27 -2.108 -5.040 9.269 1.00 0.00 H new ATOM 382 N LEU A 28 -4.705 -6.073 7.262 1.00 0.00 N ATOM 383 CA LEU A 28 -6.034 -5.497 7.127 1.00 0.00 C ATOM 384 C LEU A 28 -7.054 -6.617 6.903 1.00 0.00 C ATOM 385 O LEU A 28 -6.917 -7.409 5.974 1.00 0.00 O ATOM 386 CB LEU A 28 -6.057 -4.460 5.993 1.00 0.00 C ATOM 387 CG LEU A 28 -5.036 -3.312 6.146 1.00 0.00 C ATOM 388 CD1 LEU A 28 -4.770 -2.637 4.796 1.00 0.00 C ATOM 389 CD2 LEU A 28 -5.522 -2.261 7.143 1.00 0.00 C ATOM 0 H LEU A 28 -4.145 -6.046 6.410 1.00 0.00 H new ATOM 0 HA LEU A 28 -6.303 -4.973 8.044 1.00 0.00 H new ATOM 0 HB2 LEU A 28 -5.870 -4.971 5.048 1.00 0.00 H new ATOM 0 HB3 LEU A 28 -7.058 -4.032 5.931 1.00 0.00 H new ATOM 0 HG LEU A 28 -4.112 -3.753 6.521 1.00 0.00 H new ATOM 0 HD11 LEU A 28 -4.048 -1.831 4.928 1.00 0.00 H new ATOM 0 HD12 LEU A 28 -4.371 -3.370 4.095 1.00 0.00 H new ATOM 0 HD13 LEU A 28 -5.701 -2.229 4.404 1.00 0.00 H new ATOM 0 HD21 LEU A 28 -4.779 -1.468 7.226 1.00 0.00 H new ATOM 0 HD22 LEU A 28 -6.466 -1.840 6.796 1.00 0.00 H new ATOM 0 HD23 LEU A 28 -5.668 -2.725 8.118 1.00 0.00 H new ATOM 401 N GLN A 29 -8.118 -6.662 7.704 1.00 0.00 N ATOM 402 CA GLN A 29 -9.112 -7.747 7.680 1.00 0.00 C ATOM 403 C GLN A 29 -9.768 -7.979 6.304 1.00 0.00 C ATOM 404 O GLN A 29 -10.282 -9.062 6.056 1.00 0.00 O ATOM 405 CB GLN A 29 -10.147 -7.451 8.779 1.00 0.00 C ATOM 406 CG GLN A 29 -11.155 -8.587 9.005 1.00 0.00 C ATOM 407 CD GLN A 29 -11.918 -8.390 10.312 1.00 0.00 C ATOM 408 OE1 GLN A 29 -12.998 -7.835 10.360 1.00 0.00 O ATOM 409 NE2 GLN A 29 -11.364 -8.795 11.436 1.00 0.00 N ATOM 0 H GLN A 29 -8.321 -5.941 8.397 1.00 0.00 H new ATOM 0 HA GLN A 29 -8.601 -8.689 7.876 1.00 0.00 H new ATOM 0 HB2 GLN A 29 -9.623 -7.252 9.714 1.00 0.00 H new ATOM 0 HB3 GLN A 29 -10.690 -6.543 8.518 1.00 0.00 H new ATOM 0 HG2 GLN A 29 -11.857 -8.626 8.172 1.00 0.00 H new ATOM 0 HG3 GLN A 29 -10.632 -9.543 9.026 1.00 0.00 H new ATOM 0 HE21 GLN A 29 -10.458 -9.263 11.418 1.00 0.00 H new ATOM 0 HE22 GLN A 29 -11.841 -8.641 12.324 1.00 0.00 H new ATOM 418 N TYR A 30 -9.710 -6.999 5.398 1.00 0.00 N ATOM 419 CA TYR A 30 -10.153 -7.113 4.008 1.00 0.00 C ATOM 420 C TYR A 30 -9.064 -7.451 2.969 1.00 0.00 C ATOM 421 O TYR A 30 -9.424 -7.655 1.811 1.00 0.00 O ATOM 422 CB TYR A 30 -10.862 -5.804 3.621 1.00 0.00 C ATOM 423 CG TYR A 30 -10.178 -4.493 4.010 1.00 0.00 C ATOM 424 CD1 TYR A 30 -8.844 -4.212 3.639 1.00 0.00 C ATOM 425 CD2 TYR A 30 -10.906 -3.527 4.740 1.00 0.00 C ATOM 426 CE1 TYR A 30 -8.288 -2.955 3.925 1.00 0.00 C ATOM 427 CE2 TYR A 30 -10.332 -2.283 5.063 1.00 0.00 C ATOM 428 CZ TYR A 30 -9.021 -1.984 4.639 1.00 0.00 C ATOM 429 OH TYR A 30 -8.467 -0.775 4.932 1.00 0.00 O ATOM 0 H TYR A 30 -9.341 -6.074 5.620 1.00 0.00 H new ATOM 0 HA TYR A 30 -10.819 -7.976 3.978 1.00 0.00 H new ATOM 0 HB2 TYR A 30 -11.002 -5.803 2.540 1.00 0.00 H new ATOM 0 HB3 TYR A 30 -11.855 -5.813 4.071 1.00 0.00 H new ATOM 0 HD1 TYR A 30 -8.253 -4.963 3.136 1.00 0.00 H new ATOM 0 HD2 TYR A 30 -11.916 -3.746 5.054 1.00 0.00 H new ATOM 0 HE1 TYR A 30 -7.285 -2.728 3.594 1.00 0.00 H new ATOM 0 HE2 TYR A 30 -10.894 -1.559 5.634 1.00 0.00 H new ATOM 0 HH TYR A 30 -9.114 -0.230 5.427 1.00 0.00 H new ATOM 439 N VAL A 31 -7.762 -7.457 3.285 1.00 0.00 N ATOM 440 CA VAL A 31 -6.720 -7.654 2.256 1.00 0.00 C ATOM 441 C VAL A 31 -6.341 -9.138 2.187 1.00 0.00 C ATOM 442 O VAL A 31 -6.275 -9.811 3.211 1.00 0.00 O ATOM 443 CB VAL A 31 -5.520 -6.692 2.393 1.00 0.00 C ATOM 444 CG1 VAL A 31 -4.598 -7.061 3.502 1.00 0.00 C ATOM 445 CG2 VAL A 31 -4.614 -6.630 1.152 1.00 0.00 C ATOM 0 H VAL A 31 -7.403 -7.330 4.231 1.00 0.00 H new ATOM 0 HA VAL A 31 -7.137 -7.377 1.288 1.00 0.00 H new ATOM 0 HB VAL A 31 -6.016 -5.737 2.566 1.00 0.00 H new ATOM 0 HG11 VAL A 31 -3.776 -6.346 3.545 1.00 0.00 H new ATOM 0 HG12 VAL A 31 -5.141 -7.047 4.447 1.00 0.00 H new ATOM 0 HG13 VAL A 31 -4.200 -8.061 3.327 1.00 0.00 H new ATOM 0 HG21 VAL A 31 -3.797 -5.932 1.333 1.00 0.00 H new ATOM 0 HG22 VAL A 31 -4.207 -7.620 0.949 1.00 0.00 H new ATOM 0 HG23 VAL A 31 -5.195 -6.294 0.293 1.00 0.00 H new ATOM 455 N SER A 32 -6.130 -9.659 0.981 1.00 0.00 N ATOM 456 CA SER A 32 -5.820 -11.074 0.744 1.00 0.00 C ATOM 457 C SER A 32 -4.382 -11.320 0.249 1.00 0.00 C ATOM 458 O SER A 32 -3.971 -12.474 0.186 1.00 0.00 O ATOM 459 CB SER A 32 -6.839 -11.659 -0.240 1.00 0.00 C ATOM 460 OG SER A 32 -6.730 -13.071 -0.265 1.00 0.00 O ATOM 0 H SER A 32 -6.169 -9.105 0.125 1.00 0.00 H new ATOM 0 HA SER A 32 -5.889 -11.581 1.706 1.00 0.00 H new ATOM 0 HB2 SER A 32 -7.848 -11.369 0.053 1.00 0.00 H new ATOM 0 HB3 SER A 32 -6.668 -11.255 -1.238 1.00 0.00 H new ATOM 0 HG SER A 32 -5.823 -13.334 -0.002 1.00 0.00 H new ATOM 466 N SER A 33 -3.610 -10.278 -0.081 1.00 0.00 N ATOM 467 CA SER A 33 -2.170 -10.340 -0.366 1.00 0.00 C ATOM 468 C SER A 33 -1.543 -8.971 -0.593 1.00 0.00 C ATOM 469 O SER A 33 -2.210 -7.952 -0.798 1.00 0.00 O ATOM 470 CB SER A 33 -1.818 -11.168 -1.610 1.00 0.00 C ATOM 471 OG SER A 33 -0.545 -11.765 -1.451 1.00 0.00 O ATOM 0 H SER A 33 -3.984 -9.332 -0.160 1.00 0.00 H new ATOM 0 HA SER A 33 -1.772 -10.812 0.532 1.00 0.00 H new ATOM 0 HB2 SER A 33 -2.572 -11.938 -1.769 1.00 0.00 H new ATOM 0 HB3 SER A 33 -1.822 -10.530 -2.494 1.00 0.00 H new ATOM 0 HG SER A 33 -0.329 -12.293 -2.248 1.00 0.00 H new ATOM 477 N ILE A 34 -0.220 -8.990 -0.679 1.00 0.00 N ATOM 478 CA ILE A 34 0.619 -7.853 -1.032 1.00 0.00 C ATOM 479 C ILE A 34 1.979 -8.284 -1.595 1.00 0.00 C ATOM 480 O ILE A 34 2.513 -9.328 -1.233 1.00 0.00 O ATOM 481 CB ILE A 34 0.767 -6.908 0.190 1.00 0.00 C ATOM 482 CG1 ILE A 34 1.478 -5.586 -0.175 1.00 0.00 C ATOM 483 CG2 ILE A 34 1.499 -7.600 1.361 1.00 0.00 C ATOM 484 CD1 ILE A 34 1.294 -4.504 0.888 1.00 0.00 C ATOM 0 H ILE A 34 0.321 -9.835 -0.497 1.00 0.00 H new ATOM 0 HA ILE A 34 0.127 -7.304 -1.835 1.00 0.00 H new ATOM 0 HB ILE A 34 -0.246 -6.665 0.511 1.00 0.00 H new ATOM 0 HG12 ILE A 34 2.542 -5.777 -0.313 1.00 0.00 H new ATOM 0 HG13 ILE A 34 1.093 -5.222 -1.128 1.00 0.00 H new ATOM 0 HG21 ILE A 34 1.583 -6.907 2.198 1.00 0.00 H new ATOM 0 HG22 ILE A 34 0.936 -8.479 1.674 1.00 0.00 H new ATOM 0 HG23 ILE A 34 2.495 -7.903 1.039 1.00 0.00 H new ATOM 0 HD11 ILE A 34 1.815 -3.598 0.579 1.00 0.00 H new ATOM 0 HD12 ILE A 34 0.232 -4.289 1.009 1.00 0.00 H new ATOM 0 HD13 ILE A 34 1.704 -4.852 1.836 1.00 0.00 H new ATOM 496 N VAL A 35 2.512 -7.440 -2.472 1.00 0.00 N ATOM 497 CA VAL A 35 3.882 -7.438 -2.996 1.00 0.00 C ATOM 498 C VAL A 35 4.320 -5.982 -3.009 1.00 0.00 C ATOM 499 O VAL A 35 3.503 -5.099 -3.264 1.00 0.00 O ATOM 500 CB VAL A 35 3.945 -8.025 -4.425 1.00 0.00 C ATOM 501 CG1 VAL A 35 5.230 -7.673 -5.199 1.00 0.00 C ATOM 502 CG2 VAL A 35 3.861 -9.552 -4.344 1.00 0.00 C ATOM 0 H VAL A 35 1.959 -6.680 -2.868 1.00 0.00 H new ATOM 0 HA VAL A 35 4.532 -8.057 -2.378 1.00 0.00 H new ATOM 0 HB VAL A 35 3.107 -7.583 -4.964 1.00 0.00 H new ATOM 0 HG11 VAL A 35 5.192 -8.124 -6.191 1.00 0.00 H new ATOM 0 HG12 VAL A 35 5.312 -6.590 -5.295 1.00 0.00 H new ATOM 0 HG13 VAL A 35 6.096 -8.055 -4.659 1.00 0.00 H new ATOM 0 HG21 VAL A 35 3.905 -9.973 -5.349 1.00 0.00 H new ATOM 0 HG22 VAL A 35 4.696 -9.932 -3.755 1.00 0.00 H new ATOM 0 HG23 VAL A 35 2.922 -9.840 -3.871 1.00 0.00 H new ATOM 512 N VAL A 36 5.599 -5.711 -2.774 1.00 0.00 N ATOM 513 CA VAL A 36 6.119 -4.337 -2.818 1.00 0.00 C ATOM 514 C VAL A 36 7.478 -4.284 -3.521 1.00 0.00 C ATOM 515 O VAL A 36 8.235 -5.251 -3.547 1.00 0.00 O ATOM 516 CB VAL A 36 6.079 -3.690 -1.415 1.00 0.00 C ATOM 517 CG1 VAL A 36 7.074 -4.356 -0.477 1.00 0.00 C ATOM 518 CG2 VAL A 36 6.297 -2.170 -1.437 1.00 0.00 C ATOM 0 H VAL A 36 6.299 -6.419 -2.551 1.00 0.00 H new ATOM 0 HA VAL A 36 5.466 -3.718 -3.433 1.00 0.00 H new ATOM 0 HB VAL A 36 5.069 -3.854 -1.040 1.00 0.00 H new ATOM 0 HG11 VAL A 36 7.025 -3.881 0.503 1.00 0.00 H new ATOM 0 HG12 VAL A 36 6.831 -5.414 -0.380 1.00 0.00 H new ATOM 0 HG13 VAL A 36 8.081 -4.251 -0.881 1.00 0.00 H new ATOM 0 HG21 VAL A 36 6.256 -1.782 -0.419 1.00 0.00 H new ATOM 0 HG22 VAL A 36 7.272 -1.949 -1.871 1.00 0.00 H new ATOM 0 HG23 VAL A 36 5.518 -1.699 -2.036 1.00 0.00 H new ATOM 528 N SER A 37 7.736 -3.152 -4.170 1.00 0.00 N ATOM 529 CA SER A 37 8.857 -2.941 -5.087 1.00 0.00 C ATOM 530 C SER A 37 10.006 -2.159 -4.426 1.00 0.00 C ATOM 531 O SER A 37 9.997 -0.929 -4.429 1.00 0.00 O ATOM 532 CB SER A 37 8.316 -2.177 -6.301 1.00 0.00 C ATOM 533 OG SER A 37 7.307 -2.914 -6.965 1.00 0.00 O ATOM 0 H SER A 37 7.149 -2.324 -4.069 1.00 0.00 H new ATOM 0 HA SER A 37 9.273 -3.904 -5.382 1.00 0.00 H new ATOM 0 HB2 SER A 37 7.915 -1.216 -5.979 1.00 0.00 H new ATOM 0 HB3 SER A 37 9.131 -1.967 -6.994 1.00 0.00 H new ATOM 0 HG SER A 37 6.980 -2.402 -7.734 1.00 0.00 H new ATOM 539 N LEU A 38 11.022 -2.864 -3.907 1.00 0.00 N ATOM 540 CA LEU A 38 12.182 -2.302 -3.188 1.00 0.00 C ATOM 541 C LEU A 38 13.069 -1.363 -4.013 1.00 0.00 C ATOM 542 O LEU A 38 13.664 -0.429 -3.472 1.00 0.00 O ATOM 543 CB LEU A 38 13.008 -3.470 -2.644 1.00 0.00 C ATOM 544 CG LEU A 38 13.824 -3.031 -1.417 1.00 0.00 C ATOM 545 CD1 LEU A 38 12.987 -2.808 -0.162 1.00 0.00 C ATOM 546 CD2 LEU A 38 14.845 -4.093 -1.082 1.00 0.00 C ATOM 0 H LEU A 38 11.063 -3.881 -3.978 1.00 0.00 H new ATOM 0 HA LEU A 38 11.787 -1.671 -2.392 1.00 0.00 H new ATOM 0 HB2 LEU A 38 12.348 -4.294 -2.373 1.00 0.00 H new ATOM 0 HB3 LEU A 38 13.678 -3.841 -3.420 1.00 0.00 H new ATOM 0 HG LEU A 38 14.280 -2.081 -1.695 1.00 0.00 H new ATOM 0 HD11 LEU A 38 13.636 -2.501 0.658 1.00 0.00 H new ATOM 0 HD12 LEU A 38 12.248 -2.030 -0.351 1.00 0.00 H new ATOM 0 HD13 LEU A 38 12.478 -3.734 0.105 1.00 0.00 H new ATOM 0 HD21 LEU A 38 15.423 -3.781 -0.212 1.00 0.00 H new ATOM 0 HD22 LEU A 38 14.335 -5.031 -0.861 1.00 0.00 H new ATOM 0 HD23 LEU A 38 15.514 -4.235 -1.930 1.00 0.00 H new ATOM 558 N GLU A 39 13.147 -1.602 -5.320 1.00 0.00 N ATOM 559 CA GLU A 39 13.882 -0.747 -6.261 1.00 0.00 C ATOM 560 C GLU A 39 13.047 0.433 -6.792 1.00 0.00 C ATOM 561 O GLU A 39 13.489 1.242 -7.605 1.00 0.00 O ATOM 562 CB GLU A 39 14.472 -1.596 -7.392 1.00 0.00 C ATOM 563 CG GLU A 39 15.428 -2.708 -6.912 1.00 0.00 C ATOM 564 CD GLU A 39 16.297 -2.263 -5.732 1.00 0.00 C ATOM 565 OE1 GLU A 39 17.143 -1.360 -5.900 1.00 0.00 O ATOM 566 OE2 GLU A 39 16.000 -2.664 -4.585 1.00 0.00 O ATOM 0 H GLU A 39 12.698 -2.403 -5.765 1.00 0.00 H new ATOM 0 HA GLU A 39 14.702 -0.286 -5.710 1.00 0.00 H new ATOM 0 HB2 GLU A 39 13.656 -2.051 -7.954 1.00 0.00 H new ATOM 0 HB3 GLU A 39 15.008 -0.943 -8.080 1.00 0.00 H new ATOM 0 HG2 GLU A 39 14.846 -3.583 -6.621 1.00 0.00 H new ATOM 0 HG3 GLU A 39 16.071 -3.012 -7.738 1.00 0.00 H new ATOM 573 N ASN A 40 11.817 0.539 -6.310 1.00 0.00 N ATOM 574 CA ASN A 40 10.832 1.586 -6.550 1.00 0.00 C ATOM 575 C ASN A 40 10.329 2.148 -5.206 1.00 0.00 C ATOM 576 O ASN A 40 10.883 1.919 -4.129 1.00 0.00 O ATOM 577 CB ASN A 40 9.664 1.030 -7.380 1.00 0.00 C ATOM 578 CG ASN A 40 10.036 0.467 -8.743 1.00 0.00 C ATOM 579 OD1 ASN A 40 9.271 -0.278 -9.332 1.00 0.00 O ATOM 580 ND2 ASN A 40 11.187 0.816 -9.284 1.00 0.00 N ATOM 0 H ASN A 40 11.448 -0.174 -5.681 1.00 0.00 H new ATOM 0 HA ASN A 40 11.297 2.396 -7.112 1.00 0.00 H new ATOM 0 HB2 ASN A 40 9.174 0.245 -6.804 1.00 0.00 H new ATOM 0 HB3 ASN A 40 8.932 1.825 -7.523 1.00 0.00 H new ATOM 0 HD21 ASN A 40 11.446 0.462 -10.205 1.00 0.00 H new ATOM 0 HD22 ASN A 40 11.818 1.440 -8.781 1.00 0.00 H new ATOM 587 N ARG A 41 9.284 2.971 -5.301 1.00 0.00 N ATOM 588 CA ARG A 41 8.539 3.557 -4.188 1.00 0.00 C ATOM 589 C ARG A 41 7.060 3.130 -4.189 1.00 0.00 C ATOM 590 O ARG A 41 6.181 3.915 -3.850 1.00 0.00 O ATOM 591 CB ARG A 41 8.768 5.077 -4.219 1.00 0.00 C ATOM 592 CG ARG A 41 8.404 5.800 -5.528 1.00 0.00 C ATOM 593 CD ARG A 41 9.570 6.659 -6.042 1.00 0.00 C ATOM 594 NE ARG A 41 9.460 8.080 -5.643 1.00 0.00 N ATOM 595 CZ ARG A 41 10.450 8.939 -5.422 1.00 0.00 C ATOM 596 NH1 ARG A 41 11.726 8.604 -5.473 1.00 0.00 N ATOM 597 NH2 ARG A 41 10.167 10.191 -5.152 1.00 0.00 N ATOM 0 H ARG A 41 8.915 3.262 -6.206 1.00 0.00 H new ATOM 0 HA ARG A 41 8.907 3.179 -3.234 1.00 0.00 H new ATOM 0 HB2 ARG A 41 8.191 5.525 -3.410 1.00 0.00 H new ATOM 0 HB3 ARG A 41 9.820 5.268 -4.005 1.00 0.00 H new ATOM 0 HG2 ARG A 41 8.130 5.066 -6.286 1.00 0.00 H new ATOM 0 HG3 ARG A 41 7.530 6.431 -5.365 1.00 0.00 H new ATOM 0 HD2 ARG A 41 10.508 6.253 -5.664 1.00 0.00 H new ATOM 0 HD3 ARG A 41 9.610 6.595 -7.129 1.00 0.00 H new ATOM 0 HE ARG A 41 8.514 8.442 -5.524 1.00 0.00 H new ATOM 0 HH11 ARG A 41 11.993 7.644 -5.691 1.00 0.00 H new ATOM 0 HH12 ARG A 41 12.445 9.305 -5.295 1.00 0.00 H new ATOM 0 HH21 ARG A 41 9.195 10.497 -5.113 1.00 0.00 H new ATOM 0 HH22 ARG A 41 10.919 10.858 -4.981 1.00 0.00 H new ATOM 611 N SER A 42 6.753 1.898 -4.610 1.00 0.00 N ATOM 612 CA SER A 42 5.375 1.438 -4.867 1.00 0.00 C ATOM 613 C SER A 42 5.065 -0.010 -4.443 1.00 0.00 C ATOM 614 O SER A 42 5.932 -0.884 -4.435 1.00 0.00 O ATOM 615 CB SER A 42 5.057 1.562 -6.365 1.00 0.00 C ATOM 616 OG SER A 42 6.129 1.112 -7.184 1.00 0.00 O ATOM 0 H SER A 42 7.458 1.182 -4.785 1.00 0.00 H new ATOM 0 HA SER A 42 4.754 2.084 -4.247 1.00 0.00 H new ATOM 0 HB2 SER A 42 4.161 0.984 -6.593 1.00 0.00 H new ATOM 0 HB3 SER A 42 4.834 2.602 -6.602 1.00 0.00 H new ATOM 0 HG SER A 42 5.882 1.208 -8.128 1.00 0.00 H new ATOM 622 N ALA A 43 3.779 -0.263 -4.176 1.00 0.00 N ATOM 623 CA ALA A 43 3.199 -1.510 -3.661 1.00 0.00 C ATOM 624 C ALA A 43 2.033 -1.986 -4.539 1.00 0.00 C ATOM 625 O ALA A 43 1.243 -1.176 -5.019 1.00 0.00 O ATOM 626 CB ALA A 43 2.702 -1.244 -2.230 1.00 0.00 C ATOM 0 H ALA A 43 3.064 0.449 -4.325 1.00 0.00 H new ATOM 0 HA ALA A 43 3.956 -2.294 -3.670 1.00 0.00 H new ATOM 0 HB1 ALA A 43 2.265 -2.155 -1.821 1.00 0.00 H new ATOM 0 HB2 ALA A 43 3.539 -0.932 -1.606 1.00 0.00 H new ATOM 0 HB3 ALA A 43 1.949 -0.456 -2.247 1.00 0.00 H new ATOM 632 N ILE A 44 1.905 -3.302 -4.710 1.00 0.00 N ATOM 633 CA ILE A 44 0.786 -3.971 -5.379 1.00 0.00 C ATOM 634 C ILE A 44 0.054 -4.747 -4.284 1.00 0.00 C ATOM 635 O ILE A 44 0.638 -5.627 -3.644 1.00 0.00 O ATOM 636 CB ILE A 44 1.311 -4.869 -6.520 1.00 0.00 C ATOM 637 CG1 ILE A 44 2.006 -4.001 -7.600 1.00 0.00 C ATOM 638 CG2 ILE A 44 0.148 -5.676 -7.129 1.00 0.00 C ATOM 639 CD1 ILE A 44 2.789 -4.818 -8.635 1.00 0.00 C ATOM 0 H ILE A 44 2.607 -3.960 -4.372 1.00 0.00 H new ATOM 0 HA ILE A 44 0.098 -3.274 -5.857 1.00 0.00 H new ATOM 0 HB ILE A 44 2.044 -5.570 -6.120 1.00 0.00 H new ATOM 0 HG12 ILE A 44 1.253 -3.405 -8.115 1.00 0.00 H new ATOM 0 HG13 ILE A 44 2.686 -3.303 -7.111 1.00 0.00 H new ATOM 0 HG21 ILE A 44 0.525 -6.307 -7.933 1.00 0.00 H new ATOM 0 HG22 ILE A 44 -0.304 -6.301 -6.359 1.00 0.00 H new ATOM 0 HG23 ILE A 44 -0.601 -4.991 -7.526 1.00 0.00 H new ATOM 0 HD11 ILE A 44 3.248 -4.144 -9.359 1.00 0.00 H new ATOM 0 HD12 ILE A 44 3.566 -5.394 -8.132 1.00 0.00 H new ATOM 0 HD13 ILE A 44 2.111 -5.497 -9.151 1.00 0.00 H new ATOM 651 N VAL A 45 -1.194 -4.369 -4.031 1.00 0.00 N ATOM 652 CA VAL A 45 -1.983 -4.819 -2.878 1.00 0.00 C ATOM 653 C VAL A 45 -3.234 -5.517 -3.415 1.00 0.00 C ATOM 654 O VAL A 45 -3.911 -4.949 -4.271 1.00 0.00 O ATOM 655 CB VAL A 45 -2.376 -3.619 -1.993 1.00 0.00 C ATOM 656 CG1 VAL A 45 -3.024 -4.120 -0.697 1.00 0.00 C ATOM 657 CG2 VAL A 45 -1.181 -2.714 -1.631 1.00 0.00 C ATOM 0 H VAL A 45 -1.703 -3.724 -4.635 1.00 0.00 H new ATOM 0 HA VAL A 45 -1.399 -5.505 -2.264 1.00 0.00 H new ATOM 0 HB VAL A 45 -3.076 -3.021 -2.577 1.00 0.00 H new ATOM 0 HG11 VAL A 45 -3.300 -3.268 -0.075 1.00 0.00 H new ATOM 0 HG12 VAL A 45 -3.916 -4.699 -0.936 1.00 0.00 H new ATOM 0 HG13 VAL A 45 -2.317 -4.750 -0.157 1.00 0.00 H new ATOM 0 HG21 VAL A 45 -1.525 -1.889 -1.007 1.00 0.00 H new ATOM 0 HG22 VAL A 45 -0.437 -3.295 -1.086 1.00 0.00 H new ATOM 0 HG23 VAL A 45 -0.735 -2.318 -2.543 1.00 0.00 H new ATOM 667 N VAL A 46 -3.518 -6.728 -2.932 1.00 0.00 N ATOM 668 CA VAL A 46 -4.579 -7.616 -3.428 1.00 0.00 C ATOM 669 C VAL A 46 -5.601 -7.767 -2.300 1.00 0.00 C ATOM 670 O VAL A 46 -5.261 -8.291 -1.248 1.00 0.00 O ATOM 671 CB VAL A 46 -3.997 -9.003 -3.800 1.00 0.00 C ATOM 672 CG1 VAL A 46 -5.050 -9.934 -4.409 1.00 0.00 C ATOM 673 CG2 VAL A 46 -2.765 -8.923 -4.721 1.00 0.00 C ATOM 0 H VAL A 46 -2.997 -7.135 -2.155 1.00 0.00 H new ATOM 0 HA VAL A 46 -5.039 -7.198 -4.323 1.00 0.00 H new ATOM 0 HB VAL A 46 -3.667 -9.429 -2.852 1.00 0.00 H new ATOM 0 HG11 VAL A 46 -4.591 -10.892 -4.652 1.00 0.00 H new ATOM 0 HG12 VAL A 46 -5.857 -10.089 -3.692 1.00 0.00 H new ATOM 0 HG13 VAL A 46 -5.452 -9.484 -5.317 1.00 0.00 H new ATOM 0 HG21 VAL A 46 -2.409 -9.930 -4.941 1.00 0.00 H new ATOM 0 HG22 VAL A 46 -3.037 -8.423 -5.650 1.00 0.00 H new ATOM 0 HG23 VAL A 46 -1.975 -8.360 -4.224 1.00 0.00 H new ATOM 683 N TYR A 47 -6.833 -7.293 -2.468 1.00 0.00 N ATOM 684 CA TYR A 47 -7.830 -7.161 -1.387 1.00 0.00 C ATOM 685 C TYR A 47 -9.220 -7.634 -1.829 1.00 0.00 C ATOM 686 O TYR A 47 -9.558 -7.518 -3.002 1.00 0.00 O ATOM 687 CB TYR A 47 -7.897 -5.696 -0.925 1.00 0.00 C ATOM 688 CG TYR A 47 -8.533 -4.746 -1.933 1.00 0.00 C ATOM 689 CD1 TYR A 47 -7.821 -4.347 -3.081 1.00 0.00 C ATOM 690 CD2 TYR A 47 -9.853 -4.290 -1.746 1.00 0.00 C ATOM 691 CE1 TYR A 47 -8.412 -3.495 -4.031 1.00 0.00 C ATOM 692 CE2 TYR A 47 -10.453 -3.444 -2.698 1.00 0.00 C ATOM 693 CZ TYR A 47 -9.736 -3.041 -3.847 1.00 0.00 C ATOM 694 OH TYR A 47 -10.317 -2.243 -4.786 1.00 0.00 O ATOM 0 H TYR A 47 -7.182 -6.981 -3.374 1.00 0.00 H new ATOM 0 HA TYR A 47 -7.515 -7.798 -0.561 1.00 0.00 H new ATOM 0 HB2 TYR A 47 -8.460 -5.647 0.007 1.00 0.00 H new ATOM 0 HB3 TYR A 47 -6.887 -5.350 -0.706 1.00 0.00 H new ATOM 0 HD1 TYR A 47 -6.811 -4.699 -3.233 1.00 0.00 H new ATOM 0 HD2 TYR A 47 -10.407 -4.591 -0.869 1.00 0.00 H new ATOM 0 HE1 TYR A 47 -7.852 -3.188 -4.902 1.00 0.00 H new ATOM 0 HE2 TYR A 47 -11.466 -3.101 -2.549 1.00 0.00 H new ATOM 0 HH TYR A 47 -11.230 -2.021 -4.507 1.00 0.00 H new ATOM 704 N ASN A 48 -10.063 -8.133 -0.925 1.00 0.00 N ATOM 705 CA ASN A 48 -11.368 -8.680 -1.305 1.00 0.00 C ATOM 706 C ASN A 48 -12.469 -7.598 -1.285 1.00 0.00 C ATOM 707 O ASN A 48 -12.526 -6.779 -0.366 1.00 0.00 O ATOM 708 CB ASN A 48 -11.686 -9.889 -0.416 1.00 0.00 C ATOM 709 CG ASN A 48 -12.966 -10.574 -0.875 1.00 0.00 C ATOM 710 OD1 ASN A 48 -14.043 -10.282 -0.380 1.00 0.00 O ATOM 711 ND2 ASN A 48 -12.902 -11.440 -1.869 1.00 0.00 N ATOM 0 H ASN A 48 -9.867 -8.170 0.075 1.00 0.00 H new ATOM 0 HA ASN A 48 -11.332 -9.027 -2.338 1.00 0.00 H new ATOM 0 HB2 ASN A 48 -10.858 -10.597 -0.447 1.00 0.00 H new ATOM 0 HB3 ASN A 48 -11.792 -9.567 0.620 1.00 0.00 H new ATOM 0 HD21 ASN A 48 -13.755 -11.869 -2.227 1.00 0.00 H new ATOM 0 HD22 ASN A 48 -11.999 -11.680 -2.279 1.00 0.00 H new ATOM 780 N PRO A 54 -10.293 1.106 -3.559 1.00 0.00 N ATOM 781 CA PRO A 54 -8.854 1.220 -3.276 1.00 0.00 C ATOM 782 C PRO A 54 -8.484 2.322 -2.263 1.00 0.00 C ATOM 783 O PRO A 54 -7.329 2.385 -1.842 1.00 0.00 O ATOM 784 CB PRO A 54 -8.227 1.507 -4.644 1.00 0.00 C ATOM 785 CG PRO A 54 -9.296 2.347 -5.338 1.00 0.00 C ATOM 786 CD PRO A 54 -10.585 1.677 -4.870 1.00 0.00 C ATOM 0 HA PRO A 54 -8.490 0.308 -2.802 1.00 0.00 H new ATOM 0 HB2 PRO A 54 -7.285 2.048 -4.552 1.00 0.00 H new ATOM 0 HB3 PRO A 54 -8.015 0.589 -5.192 1.00 0.00 H new ATOM 0 HG2 PRO A 54 -9.249 3.394 -5.039 1.00 0.00 H new ATOM 0 HG3 PRO A 54 -9.194 2.321 -6.423 1.00 0.00 H new ATOM 0 HD2 PRO A 54 -11.399 2.399 -4.808 1.00 0.00 H new ATOM 0 HD3 PRO A 54 -10.898 0.903 -5.571 1.00 0.00 H new ATOM 794 N GLU A 55 -9.423 3.199 -1.881 1.00 0.00 N ATOM 795 CA GLU A 55 -9.159 4.354 -1.007 1.00 0.00 C ATOM 796 C GLU A 55 -8.520 3.942 0.312 1.00 0.00 C ATOM 797 O GLU A 55 -7.552 4.561 0.756 1.00 0.00 O ATOM 798 CB GLU A 55 -10.451 5.173 -0.788 1.00 0.00 C ATOM 799 CG GLU A 55 -11.260 5.057 0.518 1.00 0.00 C ATOM 800 CD GLU A 55 -10.607 5.736 1.723 1.00 0.00 C ATOM 801 OE1 GLU A 55 -10.214 6.914 1.586 1.00 0.00 O ATOM 802 OE2 GLU A 55 -10.493 5.088 2.790 1.00 0.00 O ATOM 0 H GLU A 55 -10.398 3.127 -2.172 1.00 0.00 H new ATOM 0 HA GLU A 55 -8.434 4.993 -1.511 1.00 0.00 H new ATOM 0 HB2 GLU A 55 -10.185 6.224 -0.905 1.00 0.00 H new ATOM 0 HB3 GLU A 55 -11.128 4.923 -1.605 1.00 0.00 H new ATOM 0 HG2 GLU A 55 -12.247 5.492 0.361 1.00 0.00 H new ATOM 0 HG3 GLU A 55 -11.410 4.002 0.747 1.00 0.00 H new ATOM 809 N SER A 56 -9.026 2.878 0.936 1.00 0.00 N ATOM 810 CA SER A 56 -8.617 2.598 2.289 1.00 0.00 C ATOM 811 C SER A 56 -7.266 1.873 2.346 1.00 0.00 C ATOM 812 O SER A 56 -6.592 1.887 3.374 1.00 0.00 O ATOM 813 CB SER A 56 -9.713 1.846 3.022 1.00 0.00 C ATOM 814 OG SER A 56 -10.960 2.506 2.852 1.00 0.00 O ATOM 0 H SER A 56 -9.696 2.223 0.533 1.00 0.00 H new ATOM 0 HA SER A 56 -8.463 3.547 2.803 1.00 0.00 H new ATOM 0 HB2 SER A 56 -9.779 0.826 2.644 1.00 0.00 H new ATOM 0 HB3 SER A 56 -9.471 1.778 4.083 1.00 0.00 H new ATOM 0 HG SER A 56 -10.825 3.476 2.890 1.00 0.00 H new ATOM 820 N LEU A 57 -6.831 1.272 1.226 1.00 0.00 N ATOM 821 CA LEU A 57 -5.471 0.753 1.099 1.00 0.00 C ATOM 822 C LEU A 57 -4.463 1.904 1.024 1.00 0.00 C ATOM 823 O LEU A 57 -3.498 1.870 1.780 1.00 0.00 O ATOM 824 CB LEU A 57 -5.339 -0.150 -0.128 1.00 0.00 C ATOM 825 CG LEU A 57 -6.243 -1.397 -0.211 1.00 0.00 C ATOM 826 CD1 LEU A 57 -5.805 -2.203 -1.441 1.00 0.00 C ATOM 827 CD2 LEU A 57 -6.189 -2.299 1.029 1.00 0.00 C ATOM 0 H LEU A 57 -7.409 1.136 0.396 1.00 0.00 H new ATOM 0 HA LEU A 57 -5.255 0.155 1.985 1.00 0.00 H new ATOM 0 HB2 LEU A 57 -5.528 0.459 -1.012 1.00 0.00 H new ATOM 0 HB3 LEU A 57 -4.303 -0.484 -0.187 1.00 0.00 H new ATOM 0 HG LEU A 57 -7.274 -1.050 -0.280 1.00 0.00 H new ATOM 0 HD11 LEU A 57 -6.425 -3.095 -1.531 1.00 0.00 H new ATOM 0 HD12 LEU A 57 -5.917 -1.591 -2.336 1.00 0.00 H new ATOM 0 HD13 LEU A 57 -4.761 -2.496 -1.331 1.00 0.00 H new ATOM 0 HD21 LEU A 57 -6.853 -3.152 0.888 1.00 0.00 H new ATOM 0 HD22 LEU A 57 -5.169 -2.654 1.177 1.00 0.00 H new ATOM 0 HD23 LEU A 57 -6.506 -1.733 1.905 1.00 0.00 H new ATOM 839 N ARG A 58 -4.706 2.947 0.208 1.00 0.00 N ATOM 840 CA ARG A 58 -3.916 4.185 0.199 1.00 0.00 C ATOM 841 C ARG A 58 -3.763 4.701 1.636 1.00 0.00 C ATOM 842 O ARG A 58 -2.646 4.886 2.118 1.00 0.00 O ATOM 843 CB ARG A 58 -4.613 5.221 -0.709 1.00 0.00 C ATOM 844 CG ARG A 58 -3.963 6.615 -0.706 1.00 0.00 C ATOM 845 CD ARG A 58 -4.990 7.763 -0.733 1.00 0.00 C ATOM 846 NE ARG A 58 -4.369 9.041 -0.336 1.00 0.00 N ATOM 847 CZ ARG A 58 -4.178 10.154 -1.028 1.00 0.00 C ATOM 848 NH1 ARG A 58 -4.651 10.308 -2.246 1.00 0.00 N ATOM 849 NH2 ARG A 58 -3.496 11.138 -0.485 1.00 0.00 N ATOM 0 H ARG A 58 -5.467 2.950 -0.471 1.00 0.00 H new ATOM 0 HA ARG A 58 -2.918 4.001 -0.199 1.00 0.00 H new ATOM 0 HB2 ARG A 58 -4.622 4.841 -1.731 1.00 0.00 H new ATOM 0 HB3 ARG A 58 -5.652 5.318 -0.395 1.00 0.00 H new ATOM 0 HG2 ARG A 58 -3.338 6.716 0.182 1.00 0.00 H new ATOM 0 HG3 ARG A 58 -3.305 6.704 -1.571 1.00 0.00 H new ATOM 0 HD2 ARG A 58 -5.411 7.855 -1.734 1.00 0.00 H new ATOM 0 HD3 ARG A 58 -5.816 7.532 -0.060 1.00 0.00 H new ATOM 0 HE ARG A 58 -4.033 9.072 0.626 1.00 0.00 H new ATOM 0 HH11 ARG A 58 -5.183 9.557 -2.685 1.00 0.00 H new ATOM 0 HH12 ARG A 58 -4.486 11.179 -2.751 1.00 0.00 H new ATOM 0 HH21 ARG A 58 -3.121 11.039 0.458 1.00 0.00 H new ATOM 0 HH22 ARG A 58 -3.342 12.001 -1.007 1.00 0.00 H new ATOM 863 N LYS A 59 -4.889 4.847 2.340 1.00 0.00 N ATOM 864 CA LYS A 59 -4.939 5.215 3.756 1.00 0.00 C ATOM 865 C LYS A 59 -4.119 4.295 4.678 1.00 0.00 C ATOM 866 O LYS A 59 -3.434 4.804 5.559 1.00 0.00 O ATOM 867 CB LYS A 59 -6.408 5.236 4.201 1.00 0.00 C ATOM 868 CG LYS A 59 -6.990 6.643 4.301 1.00 0.00 C ATOM 869 CD LYS A 59 -6.993 7.382 2.957 1.00 0.00 C ATOM 870 CE LYS A 59 -7.685 8.743 3.077 1.00 0.00 C ATOM 871 NZ LYS A 59 -9.128 8.579 3.367 1.00 0.00 N ATOM 0 H LYS A 59 -5.813 4.709 1.930 1.00 0.00 H new ATOM 0 HA LYS A 59 -4.480 6.199 3.848 1.00 0.00 H new ATOM 0 HB2 LYS A 59 -7.002 4.654 3.496 1.00 0.00 H new ATOM 0 HB3 LYS A 59 -6.493 4.746 5.171 1.00 0.00 H new ATOM 0 HG2 LYS A 59 -8.010 6.583 4.680 1.00 0.00 H new ATOM 0 HG3 LYS A 59 -6.414 7.219 5.026 1.00 0.00 H new ATOM 0 HD2 LYS A 59 -5.968 7.521 2.613 1.00 0.00 H new ATOM 0 HD3 LYS A 59 -7.502 6.777 2.207 1.00 0.00 H new ATOM 0 HE2 LYS A 59 -7.215 9.326 3.869 1.00 0.00 H new ATOM 0 HE3 LYS A 59 -7.558 9.303 2.151 1.00 0.00 H new ATOM 0 HZ1 LYS A 59 -9.660 9.360 2.933 1.00 0.00 H new ATOM 0 HZ2 LYS A 59 -9.460 7.674 2.976 1.00 0.00 H new ATOM 0 HZ3 LYS A 59 -9.278 8.587 4.396 1.00 0.00 H new ATOM 885 N ALA A 60 -4.143 2.972 4.489 1.00 0.00 N ATOM 886 CA ALA A 60 -3.348 2.052 5.302 1.00 0.00 C ATOM 887 C ALA A 60 -1.835 2.237 5.095 1.00 0.00 C ATOM 888 O ALA A 60 -1.056 2.037 6.022 1.00 0.00 O ATOM 889 CB ALA A 60 -3.798 0.631 4.981 1.00 0.00 C ATOM 0 H ALA A 60 -4.709 2.514 3.775 1.00 0.00 H new ATOM 0 HA ALA A 60 -3.518 2.266 6.357 1.00 0.00 H new ATOM 0 HB1 ALA A 60 -3.220 -0.077 5.575 1.00 0.00 H new ATOM 0 HB2 ALA A 60 -4.857 0.523 5.217 1.00 0.00 H new ATOM 0 HB3 ALA A 60 -3.640 0.430 3.921 1.00 0.00 H new ATOM 895 N ILE A 61 -1.423 2.679 3.901 1.00 0.00 N ATOM 896 CA ILE A 61 -0.042 3.087 3.623 1.00 0.00 C ATOM 897 C ILE A 61 0.253 4.431 4.300 1.00 0.00 C ATOM 898 O ILE A 61 1.172 4.509 5.114 1.00 0.00 O ATOM 899 CB ILE A 61 0.260 3.077 2.097 1.00 0.00 C ATOM 900 CG1 ILE A 61 -0.150 1.768 1.394 1.00 0.00 C ATOM 901 CG2 ILE A 61 1.761 3.309 1.881 1.00 0.00 C ATOM 902 CD1 ILE A 61 -0.072 1.774 -0.135 1.00 0.00 C ATOM 0 H ILE A 61 -2.043 2.764 3.096 1.00 0.00 H new ATOM 0 HA ILE A 61 0.643 2.357 4.055 1.00 0.00 H new ATOM 0 HB ILE A 61 -0.337 3.874 1.654 1.00 0.00 H new ATOM 0 HG12 ILE A 61 0.485 0.964 1.767 1.00 0.00 H new ATOM 0 HG13 ILE A 61 -1.173 1.528 1.685 1.00 0.00 H new ATOM 0 HG21 ILE A 61 1.980 3.303 0.813 1.00 0.00 H new ATOM 0 HG22 ILE A 61 2.045 4.272 2.304 1.00 0.00 H new ATOM 0 HG23 ILE A 61 2.326 2.516 2.372 1.00 0.00 H new ATOM 0 HD11 ILE A 61 -0.383 0.802 -0.519 1.00 0.00 H new ATOM 0 HD12 ILE A 61 -0.730 2.548 -0.530 1.00 0.00 H new ATOM 0 HD13 ILE A 61 0.953 1.976 -0.446 1.00 0.00 H new ATOM 914 N GLU A 62 -0.569 5.460 4.071 1.00 0.00 N ATOM 915 CA GLU A 62 -0.448 6.761 4.738 1.00 0.00 C ATOM 916 C GLU A 62 -0.433 6.638 6.269 1.00 0.00 C ATOM 917 O GLU A 62 0.183 7.466 6.922 1.00 0.00 O ATOM 918 CB GLU A 62 -1.579 7.711 4.303 1.00 0.00 C ATOM 919 CG GLU A 62 -1.450 8.102 2.829 1.00 0.00 C ATOM 920 CD GLU A 62 -2.579 8.970 2.284 1.00 0.00 C ATOM 921 OE1 GLU A 62 -3.744 8.523 2.313 1.00 0.00 O ATOM 922 OE2 GLU A 62 -2.294 10.033 1.686 1.00 0.00 O ATOM 0 H GLU A 62 -1.345 5.413 3.411 1.00 0.00 H new ATOM 0 HA GLU A 62 0.511 7.177 4.430 1.00 0.00 H new ATOM 0 HB2 GLU A 62 -2.543 7.230 4.470 1.00 0.00 H new ATOM 0 HB3 GLU A 62 -1.559 8.608 4.921 1.00 0.00 H new ATOM 0 HG2 GLU A 62 -0.508 8.632 2.692 1.00 0.00 H new ATOM 0 HG3 GLU A 62 -1.393 7.192 2.232 1.00 0.00 H new ATOM 929 N ALA A 63 -1.024 5.588 6.850 1.00 0.00 N ATOM 930 CA ALA A 63 -1.052 5.347 8.293 1.00 0.00 C ATOM 931 C ALA A 63 0.232 4.729 8.869 1.00 0.00 C ATOM 932 O ALA A 63 0.314 4.547 10.083 1.00 0.00 O ATOM 933 CB ALA A 63 -2.291 4.501 8.617 1.00 0.00 C ATOM 0 H ALA A 63 -1.507 4.866 6.315 1.00 0.00 H new ATOM 0 HA ALA A 63 -1.110 6.318 8.786 1.00 0.00 H new ATOM 0 HB1 ALA A 63 -2.331 4.310 9.689 1.00 0.00 H new ATOM 0 HB2 ALA A 63 -3.189 5.038 8.311 1.00 0.00 H new ATOM 0 HB3 ALA A 63 -2.235 3.553 8.081 1.00 0.00 H new ATOM 939 N VAL A 64 1.233 4.453 8.026 1.00 0.00 N ATOM 940 CA VAL A 64 2.523 3.875 8.429 1.00 0.00 C ATOM 941 C VAL A 64 3.588 4.953 8.584 1.00 0.00 C ATOM 942 O VAL A 64 4.502 4.821 9.390 1.00 0.00 O ATOM 943 CB VAL A 64 2.988 2.757 7.467 1.00 0.00 C ATOM 944 CG1 VAL A 64 3.865 3.160 6.296 1.00 0.00 C ATOM 945 CG2 VAL A 64 3.793 1.728 8.262 1.00 0.00 C ATOM 0 H VAL A 64 1.169 4.628 7.023 1.00 0.00 H new ATOM 0 HA VAL A 64 2.373 3.411 9.404 1.00 0.00 H new ATOM 0 HB VAL A 64 2.056 2.391 7.037 1.00 0.00 H new ATOM 0 HG11 VAL A 64 4.114 2.277 5.707 1.00 0.00 H new ATOM 0 HG12 VAL A 64 3.330 3.874 5.670 1.00 0.00 H new ATOM 0 HG13 VAL A 64 4.781 3.618 6.668 1.00 0.00 H new ATOM 0 HG21 VAL A 64 4.127 0.933 7.595 1.00 0.00 H new ATOM 0 HG22 VAL A 64 4.660 2.213 8.712 1.00 0.00 H new ATOM 0 HG23 VAL A 64 3.167 1.304 9.047 1.00 0.00 H new ATOM 955 N SER A 65 3.485 6.040 7.814 1.00 0.00 N ATOM 956 CA SER A 65 4.288 7.246 8.023 1.00 0.00 C ATOM 957 C SER A 65 3.501 8.524 7.643 1.00 0.00 C ATOM 958 O SER A 65 3.834 9.206 6.669 1.00 0.00 O ATOM 959 CB SER A 65 5.693 7.118 7.408 1.00 0.00 C ATOM 960 OG SER A 65 6.127 5.776 7.207 1.00 0.00 O ATOM 0 H SER A 65 2.840 6.108 7.026 1.00 0.00 H new ATOM 0 HA SER A 65 4.483 7.356 9.090 1.00 0.00 H new ATOM 0 HB2 SER A 65 5.706 7.639 6.450 1.00 0.00 H new ATOM 0 HB3 SER A 65 6.408 7.625 8.056 1.00 0.00 H new ATOM 0 HG SER A 65 6.120 5.570 6.249 1.00 0.00 H new ATOM 966 N PRO A 66 2.429 8.843 8.400 1.00 0.00 N ATOM 967 CA PRO A 66 1.533 9.969 8.136 1.00 0.00 C ATOM 968 C PRO A 66 2.253 11.318 8.142 1.00 0.00 C ATOM 969 O PRO A 66 3.175 11.547 8.923 1.00 0.00 O ATOM 970 CB PRO A 66 0.415 9.892 9.187 1.00 0.00 C ATOM 971 CG PRO A 66 0.977 8.973 10.272 1.00 0.00 C ATOM 972 CD PRO A 66 1.875 8.033 9.476 1.00 0.00 C ATOM 0 HA PRO A 66 1.121 9.897 7.130 1.00 0.00 H new ATOM 0 HB2 PRO A 66 0.176 10.878 9.586 1.00 0.00 H new ATOM 0 HB3 PRO A 66 -0.504 9.489 8.761 1.00 0.00 H new ATOM 0 HG2 PRO A 66 1.537 9.529 11.024 1.00 0.00 H new ATOM 0 HG3 PRO A 66 0.188 8.434 10.796 1.00 0.00 H new ATOM 0 HD2 PRO A 66 2.665 7.620 10.103 1.00 0.00 H new ATOM 0 HD3 PRO A 66 1.308 7.190 9.081 1.00 0.00 H new ATOM 980 N GLY A 67 1.829 12.202 7.229 1.00 0.00 N ATOM 981 CA GLY A 67 2.450 13.508 6.958 1.00 0.00 C ATOM 982 C GLY A 67 3.667 13.430 6.029 1.00 0.00 C ATOM 983 O GLY A 67 3.925 14.374 5.285 1.00 0.00 O ATOM 0 H GLY A 67 1.017 12.023 6.638 1.00 0.00 H new ATOM 0 HA2 GLY A 67 1.706 14.169 6.513 1.00 0.00 H new ATOM 0 HA3 GLY A 67 2.753 13.959 7.903 1.00 0.00 H new ATOM 987 N LEU A 68 4.395 12.312 6.063 1.00 0.00 N ATOM 988 CA LEU A 68 5.592 12.048 5.260 1.00 0.00 C ATOM 989 C LEU A 68 5.260 11.297 3.961 1.00 0.00 C ATOM 990 O LEU A 68 5.816 11.588 2.905 1.00 0.00 O ATOM 991 CB LEU A 68 6.560 11.279 6.179 1.00 0.00 C ATOM 992 CG LEU A 68 7.873 10.793 5.542 1.00 0.00 C ATOM 993 CD1 LEU A 68 8.639 11.907 4.829 1.00 0.00 C ATOM 994 CD2 LEU A 68 8.753 10.229 6.661 1.00 0.00 C ATOM 0 H LEU A 68 4.157 11.533 6.677 1.00 0.00 H new ATOM 0 HA LEU A 68 6.055 12.973 4.917 1.00 0.00 H new ATOM 0 HB2 LEU A 68 6.808 11.920 7.025 1.00 0.00 H new ATOM 0 HB3 LEU A 68 6.034 10.412 6.579 1.00 0.00 H new ATOM 0 HG LEU A 68 7.627 10.043 4.790 1.00 0.00 H new ATOM 0 HD11 LEU A 68 9.556 11.502 4.400 1.00 0.00 H new ATOM 0 HD12 LEU A 68 8.020 12.323 4.034 1.00 0.00 H new ATOM 0 HD13 LEU A 68 8.888 12.692 5.543 1.00 0.00 H new ATOM 0 HD21 LEU A 68 9.694 9.875 6.240 1.00 0.00 H new ATOM 0 HD22 LEU A 68 8.954 11.010 7.394 1.00 0.00 H new ATOM 0 HD23 LEU A 68 8.238 9.400 7.146 1.00 0.00 H new ATOM 1006 N TYR A 69 4.337 10.339 4.029 1.00 0.00 N ATOM 1007 CA TYR A 69 3.944 9.488 2.905 1.00 0.00 C ATOM 1008 C TYR A 69 2.965 10.170 1.935 1.00 0.00 C ATOM 1009 O TYR A 69 1.764 10.271 2.192 1.00 0.00 O ATOM 1010 CB TYR A 69 3.344 8.183 3.452 1.00 0.00 C ATOM 1011 CG TYR A 69 4.318 7.051 3.712 1.00 0.00 C ATOM 1012 CD1 TYR A 69 5.682 7.272 3.987 1.00 0.00 C ATOM 1013 CD2 TYR A 69 3.843 5.733 3.627 1.00 0.00 C ATOM 1014 CE1 TYR A 69 6.535 6.182 4.229 1.00 0.00 C ATOM 1015 CE2 TYR A 69 4.706 4.642 3.754 1.00 0.00 C ATOM 1016 CZ TYR A 69 6.054 4.860 4.111 1.00 0.00 C ATOM 1017 OH TYR A 69 6.875 3.821 4.420 1.00 0.00 O ATOM 0 H TYR A 69 3.829 10.127 4.888 1.00 0.00 H new ATOM 0 HA TYR A 69 4.841 9.280 2.322 1.00 0.00 H new ATOM 0 HB2 TYR A 69 2.826 8.409 4.384 1.00 0.00 H new ATOM 0 HB3 TYR A 69 2.591 7.831 2.747 1.00 0.00 H new ATOM 0 HD1 TYR A 69 6.072 8.279 4.012 1.00 0.00 H new ATOM 0 HD2 TYR A 69 2.790 5.559 3.460 1.00 0.00 H new ATOM 0 HE1 TYR A 69 7.564 6.356 4.507 1.00 0.00 H new ATOM 0 HE2 TYR A 69 4.344 3.639 3.580 1.00 0.00 H new ATOM 0 HH TYR A 69 6.397 2.976 4.288 1.00 0.00 H new ATOM 1027 N ARG A 70 3.442 10.547 0.746 1.00 0.00 N ATOM 1028 CA ARG A 70 2.608 11.051 -0.353 1.00 0.00 C ATOM 1029 C ARG A 70 2.009 9.902 -1.165 1.00 0.00 C ATOM 1030 O ARG A 70 2.510 9.567 -2.235 1.00 0.00 O ATOM 1031 CB ARG A 70 3.470 11.937 -1.244 1.00 0.00 C ATOM 1032 CG ARG A 70 2.662 12.826 -2.200 1.00 0.00 C ATOM 1033 CD ARG A 70 3.237 14.240 -2.193 1.00 0.00 C ATOM 1034 NE ARG A 70 4.621 14.280 -2.718 1.00 0.00 N ATOM 1035 CZ ARG A 70 5.685 14.873 -2.183 1.00 0.00 C ATOM 1036 NH1 ARG A 70 5.615 15.558 -1.059 1.00 0.00 N ATOM 1037 NH2 ARG A 70 6.857 14.766 -2.773 1.00 0.00 N ATOM 0 H ARG A 70 4.435 10.511 0.514 1.00 0.00 H new ATOM 0 HA ARG A 70 1.778 11.625 0.058 1.00 0.00 H new ATOM 0 HB2 ARG A 70 4.095 12.570 -0.615 1.00 0.00 H new ATOM 0 HB3 ARG A 70 4.140 11.307 -1.828 1.00 0.00 H new ATOM 0 HG2 ARG A 70 2.693 12.415 -3.209 1.00 0.00 H new ATOM 0 HG3 ARG A 70 1.615 12.847 -1.896 1.00 0.00 H new ATOM 0 HD2 ARG A 70 2.603 14.892 -2.794 1.00 0.00 H new ATOM 0 HD3 ARG A 70 3.224 14.631 -1.176 1.00 0.00 H new ATOM 0 HE ARG A 70 4.778 13.792 -3.600 1.00 0.00 H new ATOM 0 HH11 ARG A 70 4.724 15.646 -0.570 1.00 0.00 H new ATOM 0 HH12 ARG A 70 6.452 16.000 -0.678 1.00 0.00 H new ATOM 0 HH21 ARG A 70 6.946 14.230 -3.636 1.00 0.00 H new ATOM 0 HH22 ARG A 70 7.676 15.219 -2.367 1.00 0.00 H new ATOM 1051 N VAL A 71 0.964 9.280 -0.643 1.00 0.00 N ATOM 1052 CA VAL A 71 0.409 8.066 -1.275 1.00 0.00 C ATOM 1053 C VAL A 71 -0.609 8.422 -2.337 1.00 0.00 C ATOM 1054 O VAL A 71 -1.482 9.266 -2.142 1.00 0.00 O ATOM 1055 CB VAL A 71 -0.161 7.021 -0.304 1.00 0.00 C ATOM 1056 CG1 VAL A 71 -0.447 5.675 -0.995 1.00 0.00 C ATOM 1057 CG2 VAL A 71 0.845 6.766 0.824 1.00 0.00 C ATOM 0 H VAL A 71 0.480 9.580 0.203 1.00 0.00 H new ATOM 0 HA VAL A 71 1.269 7.581 -1.736 1.00 0.00 H new ATOM 0 HB VAL A 71 -1.099 7.422 0.080 1.00 0.00 H new ATOM 0 HG11 VAL A 71 -0.848 4.970 -0.267 1.00 0.00 H new ATOM 0 HG12 VAL A 71 -1.173 5.823 -1.795 1.00 0.00 H new ATOM 0 HG13 VAL A 71 0.477 5.277 -1.414 1.00 0.00 H new ATOM 0 HG21 VAL A 71 0.440 6.024 1.512 1.00 0.00 H new ATOM 0 HG22 VAL A 71 1.779 6.396 0.402 1.00 0.00 H new ATOM 0 HG23 VAL A 71 1.032 7.696 1.361 1.00 0.00 H new ATOM 1067 N SER A 72 -0.499 7.753 -3.477 1.00 0.00 N ATOM 1068 CA SER A 72 -1.419 7.875 -4.593 1.00 0.00 C ATOM 1069 C SER A 72 -1.469 6.586 -5.416 1.00 0.00 C ATOM 1070 O SER A 72 -0.639 5.701 -5.249 1.00 0.00 O ATOM 1071 CB SER A 72 -0.998 9.082 -5.420 1.00 0.00 C ATOM 1072 OG SER A 72 -1.455 10.257 -4.772 1.00 0.00 O ATOM 0 H SER A 72 0.257 7.091 -3.653 1.00 0.00 H new ATOM 0 HA SER A 72 -2.436 8.030 -4.231 1.00 0.00 H new ATOM 0 HB2 SER A 72 0.086 9.107 -5.528 1.00 0.00 H new ATOM 0 HB3 SER A 72 -1.417 9.017 -6.424 1.00 0.00 H new ATOM 0 HG SER A 72 -1.606 10.069 -3.822 1.00 0.00 H new ATOM 1078 N ILE A 73 -2.474 6.448 -6.278 1.00 0.00 N ATOM 1079 CA ILE A 73 -2.715 5.246 -7.094 1.00 0.00 C ATOM 1080 C ILE A 73 -2.043 5.421 -8.451 1.00 0.00 C ATOM 1081 O ILE A 73 -2.150 6.476 -9.075 1.00 0.00 O ATOM 1082 CB ILE A 73 -4.239 4.991 -7.216 1.00 0.00 C ATOM 1083 CG1 ILE A 73 -4.857 4.750 -5.818 1.00 0.00 C ATOM 1084 CG2 ILE A 73 -4.564 3.794 -8.133 1.00 0.00 C ATOM 1085 CD1 ILE A 73 -6.389 4.688 -5.786 1.00 0.00 C ATOM 0 H ILE A 73 -3.163 7.183 -6.437 1.00 0.00 H new ATOM 0 HA ILE A 73 -2.281 4.367 -6.618 1.00 0.00 H new ATOM 0 HB ILE A 73 -4.673 5.883 -7.667 1.00 0.00 H new ATOM 0 HG12 ILE A 73 -4.463 3.815 -5.420 1.00 0.00 H new ATOM 0 HG13 ILE A 73 -4.527 5.545 -5.150 1.00 0.00 H new ATOM 0 HG21 ILE A 73 -5.644 3.658 -8.185 1.00 0.00 H new ATOM 0 HG22 ILE A 73 -4.174 3.985 -9.133 1.00 0.00 H new ATOM 0 HG23 ILE A 73 -4.104 2.892 -7.730 1.00 0.00 H new ATOM 0 HD11 ILE A 73 -6.725 4.516 -4.763 1.00 0.00 H new ATOM 0 HD12 ILE A 73 -6.799 5.631 -6.149 1.00 0.00 H new ATOM 0 HD13 ILE A 73 -6.734 3.873 -6.423 1.00 0.00 H new ATOM 1097 N THR A 74 -1.325 4.386 -8.893 1.00 0.00 N ATOM 1098 CA THR A 74 -0.518 4.418 -10.111 1.00 0.00 C ATOM 1099 C THR A 74 -1.350 3.936 -11.297 1.00 0.00 C ATOM 1100 O THR A 74 -1.423 2.742 -11.567 1.00 0.00 O ATOM 1101 CB THR A 74 0.770 3.596 -9.917 1.00 0.00 C ATOM 1102 OG1 THR A 74 1.164 3.580 -8.563 1.00 0.00 O ATOM 1103 CG2 THR A 74 1.905 4.273 -10.668 1.00 0.00 C ATOM 0 H THR A 74 -1.289 3.490 -8.407 1.00 0.00 H new ATOM 0 HA THR A 74 -0.211 5.442 -10.326 1.00 0.00 H new ATOM 0 HB THR A 74 0.572 2.585 -10.272 1.00 0.00 H new ATOM 0 HG1 THR A 74 1.983 3.050 -8.467 1.00 0.00 H new ATOM 0 HG21 THR A 74 2.822 3.698 -10.537 1.00 0.00 H new ATOM 0 HG22 THR A 74 1.659 4.326 -11.728 1.00 0.00 H new ATOM 0 HG23 THR A 74 2.049 5.281 -10.278 1.00 0.00 H new