USER MOD reduce.3.24.130724 H: found=0, std=0, add=548, rem=0, adj=20 USER MOD reduce.3.24.130724 removed 548 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 6 THR OG1 : rot -160:sc= -3.32! USER MOD Set 1.2: A 72 GLN :FLIP amide:sc= -0.0992 F(o=-4.1,f=-3.4) USER MOD Set 2.1: A 4 THR OG1 : rot -112:sc= 0.52! USER MOD Set 2.2: A 46 THR OG1 : rot -170:sc= -0.26 USER MOD Set 3.1: A 20 THR OG1 : rot -150:sc= -2.81! USER MOD Set 3.2: A 66 TYR OH : rot -53:sc= 0.0922 USER MOD Set 4.1: A 12 MET CE :methyl -120:sc= -8.84! (180deg=-18.3!) USER MOD Set 4.2: A 13 THR OG1 : rot 180:sc= -0.938 USER MOD Single : A 1 ALA N :NH3+ -123:sc= -0.435 (180deg=-0.528) USER MOD Single : A 2 THR OG1 : rot 180:sc= 0 USER MOD Single : A 3 GLN :FLIP amide:sc= -1.32 F(o=-2,f=-1.3) USER MOD Single : A 22 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 23 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 26 SER OG : rot 180:sc= 0 USER MOD Single : A 27 LYS NZ :NH3+ 162:sc= 0 (180deg=-0.413) USER MOD Single : A 32 SER OG : rot 180:sc= 0 USER MOD Single : A 33 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 40 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 50 THR OG1 : rot 180:sc= 0.132 USER MOD Single : A 51 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 53 SER OG : rot 180:sc= -0.082 USER MOD Single : A 55 GLN : amide:sc= -0.0957 K(o=-0.096,f=-1.7!) USER MOD Single : A 56 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 58 THR OG1 : rot 150:sc= 0.0159 USER MOD Single : A 59 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 61 THR OG1 : rot -102:sc= -2.17! USER MOD Single : A 68 SER OG : rot 133:sc= -5.25! USER MOD Single : A 69 SER OG : rot 46:sc= 0.00606 USER MOD Single : A 71 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD ----------------------------------------------------------------- ATOM 1 N ALA A 1 -17.414 0.952 0.387 1.00 0.00 N ATOM 2 CA ALA A 1 -16.992 2.145 -0.400 1.00 0.00 C ATOM 3 C ALA A 1 -15.891 1.763 -1.392 1.00 0.00 C ATOM 4 O ALA A 1 -15.604 0.603 -1.592 1.00 0.00 O ATOM 5 CB ALA A 1 -16.460 3.136 0.635 1.00 0.00 C ATOM 0 H1 ALA A 1 -18.436 0.802 0.268 1.00 0.00 H new ATOM 0 H2 ALA A 1 -16.899 0.114 0.049 1.00 0.00 H new ATOM 0 H3 ALA A 1 -17.201 1.107 1.393 1.00 0.00 H new ATOM 0 HA ALA A 1 -17.812 2.565 -0.982 1.00 0.00 H new ATOM 0 HB1 ALA A 1 -16.128 4.044 0.132 1.00 0.00 H new ATOM 0 HB2 ALA A 1 -17.251 3.382 1.344 1.00 0.00 H new ATOM 0 HB3 ALA A 1 -15.621 2.690 1.168 1.00 0.00 H new ATOM 13 N THR A 2 -15.273 2.736 -2.003 1.00 0.00 N ATOM 14 CA THR A 2 -14.194 2.479 -2.973 1.00 0.00 C ATOM 15 C THR A 2 -13.276 3.693 -2.968 1.00 0.00 C ATOM 16 O THR A 2 -13.489 4.648 -3.688 1.00 0.00 O ATOM 17 CB THR A 2 -14.888 2.353 -4.318 1.00 0.00 C ATOM 18 OG1 THR A 2 -16.217 2.850 -4.220 1.00 0.00 O ATOM 19 CG2 THR A 2 -14.918 0.888 -4.743 1.00 0.00 C ATOM 0 H THR A 2 -15.484 3.724 -1.860 1.00 0.00 H new ATOM 0 HA THR A 2 -13.607 1.588 -2.749 1.00 0.00 H new ATOM 0 HB THR A 2 -14.341 2.933 -5.061 1.00 0.00 H new ATOM 0 HG1 THR A 2 -16.662 2.769 -5.090 1.00 0.00 H new ATOM 0 HG21 THR A 2 -15.416 0.799 -5.708 1.00 0.00 H new ATOM 0 HG22 THR A 2 -13.898 0.512 -4.825 1.00 0.00 H new ATOM 0 HG23 THR A 2 -15.461 0.304 -3.999 1.00 0.00 H new ATOM 27 N GLN A 3 -12.286 3.687 -2.135 1.00 0.00 N ATOM 28 CA GLN A 3 -11.388 4.878 -2.055 1.00 0.00 C ATOM 29 C GLN A 3 -9.932 4.510 -2.333 1.00 0.00 C ATOM 30 O GLN A 3 -9.549 3.358 -2.315 1.00 0.00 O ATOM 31 CB GLN A 3 -11.542 5.389 -0.621 1.00 0.00 C ATOM 32 CG GLN A 3 -10.997 4.354 0.355 1.00 0.00 C ATOM 33 CD GLN A 3 -10.948 4.957 1.760 1.00 0.00 C ATOM 34 OE1 GLN A 3 -11.784 4.533 2.668 1.00 0.00 O flip ATOM 35 NE2 GLN A 3 -10.143 5.825 2.033 1.00 0.00 N flip ATOM 0 H GLN A 3 -12.053 2.919 -1.506 1.00 0.00 H new ATOM 0 HA GLN A 3 -11.655 5.627 -2.801 1.00 0.00 H new ATOM 0 HB2 GLN A 3 -11.008 6.332 -0.502 1.00 0.00 H new ATOM 0 HB3 GLN A 3 -12.592 5.588 -0.406 1.00 0.00 H new ATOM 0 HG2 GLN A 3 -11.629 3.466 0.350 1.00 0.00 H new ATOM 0 HG3 GLN A 3 -10.000 4.038 0.048 1.00 0.00 H new ATOM 0 HE21 GLN A 3 -9.490 6.156 1.323 1.00 0.00 H new ATOM 0 HE22 GLN A 3 -10.120 6.223 2.972 1.00 0.00 H new ATOM 44 N THR A 4 -9.119 5.498 -2.583 1.00 0.00 N ATOM 45 CA THR A 4 -7.681 5.242 -2.858 1.00 0.00 C ATOM 46 C THR A 4 -6.819 6.130 -1.961 1.00 0.00 C ATOM 47 O THR A 4 -7.086 7.303 -1.791 1.00 0.00 O ATOM 48 CB THR A 4 -7.486 5.616 -4.326 1.00 0.00 C ATOM 49 OG1 THR A 4 -8.519 5.026 -5.102 1.00 0.00 O ATOM 50 CG2 THR A 4 -6.125 5.111 -4.807 1.00 0.00 C ATOM 0 H THR A 4 -9.393 6.480 -2.608 1.00 0.00 H new ATOM 0 HA THR A 4 -7.395 4.209 -2.662 1.00 0.00 H new ATOM 0 HB THR A 4 -7.524 6.700 -4.436 1.00 0.00 H new ATOM 0 HG1 THR A 4 -8.138 4.332 -5.680 1.00 0.00 H new ATOM 0 HG21 THR A 4 -5.987 5.379 -5.855 1.00 0.00 H new ATOM 0 HG22 THR A 4 -5.336 5.567 -4.209 1.00 0.00 H new ATOM 0 HG23 THR A 4 -6.081 4.027 -4.700 1.00 0.00 H new ATOM 58 N VAL A 5 -5.789 5.582 -1.387 1.00 0.00 N ATOM 59 CA VAL A 5 -4.909 6.392 -0.502 1.00 0.00 C ATOM 60 C VAL A 5 -3.460 6.190 -0.905 1.00 0.00 C ATOM 61 O VAL A 5 -3.129 5.294 -1.648 1.00 0.00 O ATOM 62 CB VAL A 5 -5.156 5.843 0.901 1.00 0.00 C ATOM 63 CG1 VAL A 5 -6.648 5.937 1.231 1.00 0.00 C ATOM 64 CG2 VAL A 5 -4.715 4.380 0.956 1.00 0.00 C ATOM 0 H VAL A 5 -5.517 4.605 -1.492 1.00 0.00 H new ATOM 0 HA VAL A 5 -5.117 7.460 -0.562 1.00 0.00 H new ATOM 0 HB VAL A 5 -4.587 6.425 1.626 1.00 0.00 H new ATOM 0 HG11 VAL A 5 -6.824 5.545 2.233 1.00 0.00 H new ATOM 0 HG12 VAL A 5 -6.965 6.979 1.188 1.00 0.00 H new ATOM 0 HG13 VAL A 5 -7.218 5.354 0.508 1.00 0.00 H new ATOM 0 HG21 VAL A 5 -4.890 3.985 1.957 1.00 0.00 H new ATOM 0 HG22 VAL A 5 -5.287 3.800 0.232 1.00 0.00 H new ATOM 0 HG23 VAL A 5 -3.653 4.311 0.719 1.00 0.00 H new ATOM 74 N THR A 6 -2.593 7.003 -0.407 1.00 0.00 N ATOM 75 CA THR A 6 -1.171 6.851 -0.736 1.00 0.00 C ATOM 76 C THR A 6 -0.486 6.286 0.495 1.00 0.00 C ATOM 77 O THR A 6 -0.991 6.398 1.594 1.00 0.00 O ATOM 78 CB THR A 6 -0.693 8.268 -1.037 1.00 0.00 C ATOM 79 OG1 THR A 6 -1.489 9.197 -0.313 1.00 0.00 O ATOM 80 CG2 THR A 6 -0.827 8.544 -2.531 1.00 0.00 C ATOM 0 H THR A 6 -2.813 7.775 0.222 1.00 0.00 H new ATOM 0 HA THR A 6 -0.966 6.188 -1.577 1.00 0.00 H new ATOM 0 HB THR A 6 0.351 8.371 -0.741 1.00 0.00 H new ATOM 0 HG1 THR A 6 -1.414 10.083 -0.725 1.00 0.00 H new ATOM 0 HG21 THR A 6 -0.485 9.557 -2.746 1.00 0.00 H new ATOM 0 HG22 THR A 6 -0.221 7.830 -3.089 1.00 0.00 H new ATOM 0 HG23 THR A 6 -1.871 8.443 -2.828 1.00 0.00 H new ATOM 88 N LEU A 7 0.629 5.655 0.341 1.00 0.00 N ATOM 89 CA LEU A 7 1.275 5.069 1.535 1.00 0.00 C ATOM 90 C LEU A 7 2.763 5.385 1.567 1.00 0.00 C ATOM 91 O LEU A 7 3.414 5.521 0.551 1.00 0.00 O ATOM 92 CB LEU A 7 1.039 3.564 1.406 1.00 0.00 C ATOM 93 CG LEU A 7 0.136 3.101 2.543 1.00 0.00 C ATOM 94 CD1 LEU A 7 -1.138 3.936 2.564 1.00 0.00 C ATOM 95 CD2 LEU A 7 -0.242 1.630 2.350 1.00 0.00 C ATOM 0 H LEU A 7 1.118 5.519 -0.544 1.00 0.00 H new ATOM 0 HA LEU A 7 0.864 5.473 2.460 1.00 0.00 H new ATOM 0 HB2 LEU A 7 0.579 3.337 0.444 1.00 0.00 H new ATOM 0 HB3 LEU A 7 1.989 3.030 1.439 1.00 0.00 H new ATOM 0 HG LEU A 7 0.674 3.220 3.484 1.00 0.00 H new ATOM 0 HD11 LEU A 7 -1.780 3.600 3.379 1.00 0.00 H new ATOM 0 HD12 LEU A 7 -0.883 4.985 2.712 1.00 0.00 H new ATOM 0 HD13 LEU A 7 -1.664 3.820 1.617 1.00 0.00 H new ATOM 0 HD21 LEU A 7 -0.887 1.310 3.168 1.00 0.00 H new ATOM 0 HD22 LEU A 7 -0.770 1.511 1.404 1.00 0.00 H new ATOM 0 HD23 LEU A 7 0.662 1.020 2.341 1.00 0.00 H new ATOM 107 N ALA A 8 3.300 5.496 2.741 1.00 0.00 N ATOM 108 CA ALA A 8 4.751 5.795 2.878 1.00 0.00 C ATOM 109 C ALA A 8 5.435 4.660 3.642 1.00 0.00 C ATOM 110 O ALA A 8 5.168 4.437 4.806 1.00 0.00 O ATOM 111 CB ALA A 8 4.812 7.098 3.675 1.00 0.00 C ATOM 0 H ALA A 8 2.795 5.392 3.621 1.00 0.00 H new ATOM 0 HA ALA A 8 5.256 5.889 1.917 1.00 0.00 H new ATOM 0 HB1 ALA A 8 5.853 7.388 3.819 1.00 0.00 H new ATOM 0 HB2 ALA A 8 4.289 7.883 3.129 1.00 0.00 H new ATOM 0 HB3 ALA A 8 4.338 6.953 4.646 1.00 0.00 H new ATOM 117 N VAL A 9 6.308 3.931 3.000 1.00 0.00 N ATOM 118 CA VAL A 9 6.990 2.801 3.709 1.00 0.00 C ATOM 119 C VAL A 9 8.505 3.037 3.794 1.00 0.00 C ATOM 120 O VAL A 9 9.256 2.457 3.036 1.00 0.00 O ATOM 121 CB VAL A 9 6.703 1.556 2.860 1.00 0.00 C ATOM 122 CG1 VAL A 9 6.856 0.308 3.728 1.00 0.00 C ATOM 123 CG2 VAL A 9 5.275 1.607 2.302 1.00 0.00 C ATOM 0 H VAL A 9 6.579 4.064 2.026 1.00 0.00 H new ATOM 0 HA VAL A 9 6.627 2.700 4.732 1.00 0.00 H new ATOM 0 HB VAL A 9 7.408 1.525 2.030 1.00 0.00 H new ATOM 0 HG11 VAL A 9 6.653 -0.579 3.128 1.00 0.00 H new ATOM 0 HG12 VAL A 9 7.873 0.258 4.117 1.00 0.00 H new ATOM 0 HG13 VAL A 9 6.152 0.354 4.558 1.00 0.00 H new ATOM 0 HG21 VAL A 9 5.087 0.717 1.702 1.00 0.00 H new ATOM 0 HG22 VAL A 9 4.563 1.646 3.127 1.00 0.00 H new ATOM 0 HG23 VAL A 9 5.159 2.495 1.680 1.00 0.00 H new ATOM 133 N PRO A 10 8.914 3.882 4.713 1.00 0.00 N ATOM 134 CA PRO A 10 10.354 4.189 4.889 1.00 0.00 C ATOM 135 C PRO A 10 11.049 3.095 5.707 1.00 0.00 C ATOM 136 O PRO A 10 11.873 3.377 6.555 1.00 0.00 O ATOM 137 CB PRO A 10 10.301 5.494 5.684 1.00 0.00 C ATOM 138 CG PRO A 10 8.880 5.648 6.260 1.00 0.00 C ATOM 139 CD PRO A 10 7.974 4.589 5.613 1.00 0.00 C ATOM 0 HA PRO A 10 10.907 4.256 3.952 1.00 0.00 H new ATOM 0 HB2 PRO A 10 11.038 5.480 6.487 1.00 0.00 H new ATOM 0 HB3 PRO A 10 10.545 6.341 5.042 1.00 0.00 H new ATOM 0 HG2 PRO A 10 8.895 5.523 7.343 1.00 0.00 H new ATOM 0 HG3 PRO A 10 8.496 6.648 6.059 1.00 0.00 H new ATOM 0 HD2 PRO A 10 7.538 3.919 6.354 1.00 0.00 H new ATOM 0 HD3 PRO A 10 7.147 5.040 5.065 1.00 0.00 H new ATOM 147 N GLY A 11 10.726 1.853 5.472 1.00 0.00 N ATOM 148 CA GLY A 11 11.373 0.763 6.250 1.00 0.00 C ATOM 149 C GLY A 11 12.067 -0.207 5.298 1.00 0.00 C ATOM 150 O GLY A 11 12.624 -1.203 5.714 1.00 0.00 O ATOM 0 H GLY A 11 10.044 1.548 4.777 1.00 0.00 H new ATOM 0 HA2 GLY A 11 12.097 1.182 6.949 1.00 0.00 H new ATOM 0 HA3 GLY A 11 10.627 0.234 6.843 1.00 0.00 H new ATOM 154 N MET A 12 12.041 0.067 4.023 1.00 0.00 N ATOM 155 CA MET A 12 12.705 -0.860 3.065 1.00 0.00 C ATOM 156 C MET A 12 13.007 -0.144 1.744 1.00 0.00 C ATOM 157 O MET A 12 13.187 -0.764 0.717 1.00 0.00 O ATOM 158 CB MET A 12 11.694 -1.993 2.867 1.00 0.00 C ATOM 159 CG MET A 12 10.637 -1.586 1.833 1.00 0.00 C ATOM 160 SD MET A 12 9.683 -0.184 2.461 1.00 0.00 S ATOM 161 CE MET A 12 9.950 0.917 1.051 1.00 0.00 C ATOM 0 H MET A 12 11.594 0.884 3.606 1.00 0.00 H new ATOM 0 HA MET A 12 13.663 -1.229 3.432 1.00 0.00 H new ATOM 0 HB2 MET A 12 12.208 -2.895 2.536 1.00 0.00 H new ATOM 0 HB3 MET A 12 11.213 -2.230 3.816 1.00 0.00 H new ATOM 0 HG2 MET A 12 11.118 -1.319 0.892 1.00 0.00 H new ATOM 0 HG3 MET A 12 9.974 -2.426 1.625 1.00 0.00 H new ATOM 0 HE1 MET A 12 10.453 1.824 1.387 1.00 0.00 H new ATOM 0 HE2 MET A 12 10.569 0.413 0.308 1.00 0.00 H new ATOM 0 HE3 MET A 12 8.990 1.178 0.606 1.00 0.00 H new ATOM 171 N THR A 13 13.065 1.156 1.768 1.00 0.00 N ATOM 172 CA THR A 13 13.353 1.921 0.521 1.00 0.00 C ATOM 173 C THR A 13 14.549 1.320 -0.232 1.00 0.00 C ATOM 174 O THR A 13 15.688 1.644 0.038 1.00 0.00 O ATOM 175 CB THR A 13 13.682 3.330 1.013 1.00 0.00 C ATOM 176 OG1 THR A 13 12.492 3.965 1.457 1.00 0.00 O ATOM 177 CG2 THR A 13 14.299 4.137 -0.124 1.00 0.00 C ATOM 0 H THR A 13 12.925 1.727 2.602 1.00 0.00 H new ATOM 0 HA THR A 13 12.516 1.903 -0.177 1.00 0.00 H new ATOM 0 HB THR A 13 14.391 3.270 1.839 1.00 0.00 H new ATOM 0 HG1 THR A 13 12.702 4.868 1.774 1.00 0.00 H new ATOM 0 HG21 THR A 13 14.533 5.142 0.228 1.00 0.00 H new ATOM 0 HG22 THR A 13 15.213 3.649 -0.462 1.00 0.00 H new ATOM 0 HG23 THR A 13 13.593 4.198 -0.952 1.00 0.00 H new ATOM 185 N CYS A 14 14.297 0.455 -1.182 1.00 0.00 N ATOM 186 CA CYS A 14 15.413 -0.158 -1.958 1.00 0.00 C ATOM 187 C CYS A 14 14.816 -1.119 -2.996 1.00 0.00 C ATOM 188 O CYS A 14 14.244 -2.123 -2.642 1.00 0.00 O ATOM 189 CB CYS A 14 16.282 -0.867 -0.894 1.00 0.00 C ATOM 190 SG CYS A 14 16.586 -2.610 -1.309 1.00 0.00 S ATOM 0 H CYS A 14 13.363 0.147 -1.453 1.00 0.00 H new ATOM 0 HA CYS A 14 16.020 0.552 -2.520 1.00 0.00 H new ATOM 0 HB2 CYS A 14 17.235 -0.346 -0.799 1.00 0.00 H new ATOM 0 HB3 CYS A 14 15.788 -0.807 0.076 1.00 0.00 H new ATOM 195 N ALA A 15 14.934 -0.783 -4.263 1.00 0.00 N ATOM 196 CA ALA A 15 14.366 -1.630 -5.373 1.00 0.00 C ATOM 197 C ALA A 15 14.246 -3.107 -4.985 1.00 0.00 C ATOM 198 O ALA A 15 15.042 -3.932 -5.387 1.00 0.00 O ATOM 199 CB ALA A 15 15.353 -1.466 -6.528 1.00 0.00 C ATOM 0 H ALA A 15 15.410 0.060 -4.583 1.00 0.00 H new ATOM 0 HA ALA A 15 13.353 -1.314 -5.624 1.00 0.00 H new ATOM 0 HB1 ALA A 15 15.014 -2.053 -7.382 1.00 0.00 H new ATOM 0 HB2 ALA A 15 15.412 -0.415 -6.810 1.00 0.00 H new ATOM 0 HB3 ALA A 15 16.338 -1.814 -6.217 1.00 0.00 H new ATOM 205 N ALA A 16 13.256 -3.446 -4.208 1.00 0.00 N ATOM 206 CA ALA A 16 13.080 -4.864 -3.798 1.00 0.00 C ATOM 207 C ALA A 16 11.934 -4.995 -2.787 1.00 0.00 C ATOM 208 O ALA A 16 11.080 -5.853 -2.902 1.00 0.00 O ATOM 209 CB ALA A 16 14.409 -5.254 -3.151 1.00 0.00 C ATOM 0 H ALA A 16 12.559 -2.799 -3.839 1.00 0.00 H new ATOM 0 HA ALA A 16 12.828 -5.506 -4.642 1.00 0.00 H new ATOM 0 HB1 ALA A 16 14.362 -6.291 -2.819 1.00 0.00 H new ATOM 0 HB2 ALA A 16 15.214 -5.141 -3.877 1.00 0.00 H new ATOM 0 HB3 ALA A 16 14.600 -4.608 -2.294 1.00 0.00 H new ATOM 215 N CYS A 17 11.949 -4.174 -1.767 1.00 0.00 N ATOM 216 CA CYS A 17 10.907 -4.266 -0.700 1.00 0.00 C ATOM 217 C CYS A 17 9.749 -3.262 -0.880 1.00 0.00 C ATOM 218 O CYS A 17 8.615 -3.617 -0.633 1.00 0.00 O ATOM 219 CB CYS A 17 11.677 -3.990 0.586 1.00 0.00 C ATOM 220 SG CYS A 17 13.143 -5.050 0.646 1.00 0.00 S ATOM 0 H CYS A 17 12.643 -3.440 -1.627 1.00 0.00 H new ATOM 0 HA CYS A 17 10.415 -5.238 -0.714 1.00 0.00 H new ATOM 0 HB2 CYS A 17 11.971 -2.941 0.629 1.00 0.00 H new ATOM 0 HB3 CYS A 17 11.042 -4.179 1.451 1.00 0.00 H new ATOM 225 N PRO A 18 10.024 -2.044 -1.294 1.00 0.00 N ATOM 226 CA PRO A 18 8.920 -1.077 -1.474 1.00 0.00 C ATOM 227 C PRO A 18 7.959 -1.649 -2.507 1.00 0.00 C ATOM 228 O PRO A 18 6.760 -1.557 -2.375 1.00 0.00 O ATOM 229 CB PRO A 18 9.629 0.176 -1.971 1.00 0.00 C ATOM 230 CG PRO A 18 11.142 -0.101 -1.993 1.00 0.00 C ATOM 231 CD PRO A 18 11.387 -1.572 -1.606 1.00 0.00 C ATOM 0 HA PRO A 18 8.332 -0.868 -0.580 1.00 0.00 H new ATOM 0 HB2 PRO A 18 9.277 0.441 -2.968 1.00 0.00 H new ATOM 0 HB3 PRO A 18 9.407 1.021 -1.320 1.00 0.00 H new ATOM 0 HG2 PRO A 18 11.547 0.100 -2.985 1.00 0.00 H new ATOM 0 HG3 PRO A 18 11.657 0.562 -1.298 1.00 0.00 H new ATOM 0 HD2 PRO A 18 11.837 -2.138 -2.422 1.00 0.00 H new ATOM 0 HD3 PRO A 18 12.055 -1.662 -0.749 1.00 0.00 H new ATOM 239 N ILE A 19 8.482 -2.279 -3.520 1.00 0.00 N ATOM 240 CA ILE A 19 7.581 -2.914 -4.527 1.00 0.00 C ATOM 241 C ILE A 19 6.788 -4.027 -3.817 1.00 0.00 C ATOM 242 O ILE A 19 5.655 -4.334 -4.156 1.00 0.00 O ATOM 243 CB ILE A 19 8.515 -3.499 -5.593 1.00 0.00 C ATOM 244 CG1 ILE A 19 8.867 -2.413 -6.611 1.00 0.00 C ATOM 245 CG2 ILE A 19 7.821 -4.658 -6.314 1.00 0.00 C ATOM 246 CD1 ILE A 19 10.076 -2.858 -7.436 1.00 0.00 C ATOM 0 H ILE A 19 9.481 -2.383 -3.696 1.00 0.00 H new ATOM 0 HA ILE A 19 6.869 -2.221 -4.976 1.00 0.00 H new ATOM 0 HB ILE A 19 9.422 -3.864 -5.112 1.00 0.00 H new ATOM 0 HG12 ILE A 19 8.016 -2.224 -7.266 1.00 0.00 H new ATOM 0 HG13 ILE A 19 9.088 -1.477 -6.098 1.00 0.00 H new ATOM 0 HG21 ILE A 19 8.490 -5.069 -7.070 1.00 0.00 H new ATOM 0 HG22 ILE A 19 7.567 -5.435 -5.593 1.00 0.00 H new ATOM 0 HG23 ILE A 19 6.911 -4.296 -6.793 1.00 0.00 H new ATOM 0 HD11 ILE A 19 10.326 -2.084 -8.161 1.00 0.00 H new ATOM 0 HD12 ILE A 19 10.926 -3.024 -6.775 1.00 0.00 H new ATOM 0 HD13 ILE A 19 9.838 -3.783 -7.961 1.00 0.00 H new ATOM 258 N THR A 20 7.376 -4.614 -2.806 1.00 0.00 N ATOM 259 CA THR A 20 6.672 -5.678 -2.044 1.00 0.00 C ATOM 260 C THR A 20 5.477 -5.048 -1.347 1.00 0.00 C ATOM 261 O THR A 20 4.499 -5.699 -1.037 1.00 0.00 O ATOM 262 CB THR A 20 7.691 -6.187 -1.019 1.00 0.00 C ATOM 263 OG1 THR A 20 8.950 -6.369 -1.652 1.00 0.00 O ATOM 264 CG2 THR A 20 7.209 -7.519 -0.442 1.00 0.00 C ATOM 0 H THR A 20 8.317 -4.398 -2.478 1.00 0.00 H new ATOM 0 HA THR A 20 6.312 -6.493 -2.672 1.00 0.00 H new ATOM 0 HB THR A 20 7.794 -5.459 -0.214 1.00 0.00 H new ATOM 0 HG1 THR A 20 9.439 -7.091 -1.205 1.00 0.00 H new ATOM 0 HG21 THR A 20 7.933 -7.883 0.287 1.00 0.00 H new ATOM 0 HG22 THR A 20 6.244 -7.377 0.044 1.00 0.00 H new ATOM 0 HG23 THR A 20 7.106 -8.248 -1.246 1.00 0.00 H new ATOM 272 N VAL A 21 5.552 -3.766 -1.124 1.00 0.00 N ATOM 273 CA VAL A 21 4.430 -3.057 -0.475 1.00 0.00 C ATOM 274 C VAL A 21 3.270 -3.006 -1.459 1.00 0.00 C ATOM 275 O VAL A 21 2.118 -3.019 -1.079 1.00 0.00 O ATOM 276 CB VAL A 21 4.948 -1.647 -0.175 1.00 0.00 C ATOM 277 CG1 VAL A 21 3.858 -0.835 0.527 1.00 0.00 C ATOM 278 CG2 VAL A 21 6.181 -1.734 0.728 1.00 0.00 C ATOM 0 H VAL A 21 6.351 -3.180 -1.368 1.00 0.00 H new ATOM 0 HA VAL A 21 4.086 -3.543 0.438 1.00 0.00 H new ATOM 0 HB VAL A 21 5.217 -1.157 -1.111 1.00 0.00 H new ATOM 0 HG11 VAL A 21 4.230 0.167 0.739 1.00 0.00 H new ATOM 0 HG12 VAL A 21 2.982 -0.768 -0.118 1.00 0.00 H new ATOM 0 HG13 VAL A 21 3.584 -1.325 1.461 1.00 0.00 H new ATOM 0 HG21 VAL A 21 6.548 -0.730 0.940 1.00 0.00 H new ATOM 0 HG22 VAL A 21 5.914 -2.228 1.662 1.00 0.00 H new ATOM 0 HG23 VAL A 21 6.960 -2.306 0.225 1.00 0.00 H new ATOM 288 N LYS A 22 3.575 -2.980 -2.732 1.00 0.00 N ATOM 289 CA LYS A 22 2.498 -2.958 -3.747 1.00 0.00 C ATOM 290 C LYS A 22 1.780 -4.291 -3.687 1.00 0.00 C ATOM 291 O LYS A 22 0.572 -4.373 -3.790 1.00 0.00 O ATOM 292 CB LYS A 22 3.200 -2.779 -5.098 1.00 0.00 C ATOM 293 CG LYS A 22 2.276 -3.248 -6.226 1.00 0.00 C ATOM 294 CD LYS A 22 2.200 -2.167 -7.305 1.00 0.00 C ATOM 295 CE LYS A 22 2.423 -2.797 -8.684 1.00 0.00 C ATOM 296 NZ LYS A 22 3.901 -2.772 -8.895 1.00 0.00 N ATOM 0 H LYS A 22 4.525 -2.973 -3.104 1.00 0.00 H new ATOM 0 HA LYS A 22 1.770 -2.163 -3.588 1.00 0.00 H new ATOM 0 HB2 LYS A 22 3.466 -1.732 -5.244 1.00 0.00 H new ATOM 0 HB3 LYS A 22 4.129 -3.349 -5.115 1.00 0.00 H new ATOM 0 HG2 LYS A 22 2.650 -4.178 -6.654 1.00 0.00 H new ATOM 0 HG3 LYS A 22 1.281 -3.455 -5.833 1.00 0.00 H new ATOM 0 HD2 LYS A 22 1.228 -1.675 -7.272 1.00 0.00 H new ATOM 0 HD3 LYS A 22 2.952 -1.400 -7.119 1.00 0.00 H new ATOM 0 HE2 LYS A 22 2.038 -3.816 -8.717 1.00 0.00 H new ATOM 0 HE3 LYS A 22 1.905 -2.235 -9.461 1.00 0.00 H new ATOM 0 HZ1 LYS A 22 4.127 -3.189 -9.821 1.00 0.00 H new ATOM 0 HZ2 LYS A 22 4.239 -1.789 -8.866 1.00 0.00 H new ATOM 0 HZ3 LYS A 22 4.368 -3.321 -8.145 1.00 0.00 H new ATOM 310 N LYS A 23 2.525 -5.343 -3.504 1.00 0.00 N ATOM 311 CA LYS A 23 1.885 -6.677 -3.419 1.00 0.00 C ATOM 312 C LYS A 23 1.121 -6.790 -2.102 1.00 0.00 C ATOM 313 O LYS A 23 0.121 -7.475 -1.996 1.00 0.00 O ATOM 314 CB LYS A 23 3.036 -7.684 -3.482 1.00 0.00 C ATOM 315 CG LYS A 23 3.960 -7.338 -4.655 1.00 0.00 C ATOM 316 CD LYS A 23 3.123 -6.952 -5.879 1.00 0.00 C ATOM 317 CE LYS A 23 3.879 -7.322 -7.157 1.00 0.00 C ATOM 318 NZ LYS A 23 2.862 -7.239 -8.242 1.00 0.00 N ATOM 0 H LYS A 23 3.541 -5.335 -3.411 1.00 0.00 H new ATOM 0 HA LYS A 23 1.168 -6.853 -4.221 1.00 0.00 H new ATOM 0 HB2 LYS A 23 3.597 -7.669 -2.548 1.00 0.00 H new ATOM 0 HB3 LYS A 23 2.643 -8.694 -3.601 1.00 0.00 H new ATOM 0 HG2 LYS A 23 4.619 -6.515 -4.380 1.00 0.00 H new ATOM 0 HG3 LYS A 23 4.596 -8.191 -4.892 1.00 0.00 H new ATOM 0 HD2 LYS A 23 2.162 -7.466 -5.851 1.00 0.00 H new ATOM 0 HD3 LYS A 23 2.913 -5.882 -5.866 1.00 0.00 H new ATOM 0 HE2 LYS A 23 4.707 -6.637 -7.339 1.00 0.00 H new ATOM 0 HE3 LYS A 23 4.303 -8.324 -7.089 1.00 0.00 H new ATOM 0 HZ1 LYS A 23 3.305 -7.480 -9.152 1.00 0.00 H new ATOM 0 HZ2 LYS A 23 2.089 -7.907 -8.046 1.00 0.00 H new ATOM 0 HZ3 LYS A 23 2.481 -6.272 -8.287 1.00 0.00 H new ATOM 332 N ALA A 24 1.590 -6.108 -1.104 1.00 0.00 N ATOM 333 CA ALA A 24 0.917 -6.143 0.219 1.00 0.00 C ATOM 334 C ALA A 24 -0.490 -5.548 0.117 1.00 0.00 C ATOM 335 O ALA A 24 -1.441 -6.085 0.653 1.00 0.00 O ATOM 336 CB ALA A 24 1.798 -5.290 1.132 1.00 0.00 C ATOM 0 H ALA A 24 2.422 -5.519 -1.147 1.00 0.00 H new ATOM 0 HA ALA A 24 0.801 -7.159 0.597 1.00 0.00 H new ATOM 0 HB1 ALA A 24 1.368 -5.265 2.133 1.00 0.00 H new ATOM 0 HB2 ALA A 24 2.798 -5.720 1.178 1.00 0.00 H new ATOM 0 HB3 ALA A 24 1.857 -4.276 0.737 1.00 0.00 H new ATOM 342 N LEU A 25 -0.637 -4.447 -0.571 1.00 0.00 N ATOM 343 CA LEU A 25 -1.992 -3.836 -0.702 1.00 0.00 C ATOM 344 C LEU A 25 -2.824 -4.652 -1.685 1.00 0.00 C ATOM 345 O LEU A 25 -4.010 -4.830 -1.513 1.00 0.00 O ATOM 346 CB LEU A 25 -1.775 -2.424 -1.249 1.00 0.00 C ATOM 347 CG LEU A 25 -0.585 -1.760 -0.561 1.00 0.00 C ATOM 348 CD1 LEU A 25 0.374 -1.265 -1.634 1.00 0.00 C ATOM 349 CD2 LEU A 25 -1.069 -0.575 0.277 1.00 0.00 C ATOM 0 H LEU A 25 0.116 -3.948 -1.044 1.00 0.00 H new ATOM 0 HA LEU A 25 -2.518 -3.813 0.252 1.00 0.00 H new ATOM 0 HB2 LEU A 25 -1.603 -2.467 -2.324 1.00 0.00 H new ATOM 0 HB3 LEU A 25 -2.673 -1.826 -1.093 1.00 0.00 H new ATOM 0 HG LEU A 25 -0.084 -2.475 0.092 1.00 0.00 H new ATOM 0 HD11 LEU A 25 1.232 -0.787 -1.162 1.00 0.00 H new ATOM 0 HD12 LEU A 25 0.714 -2.108 -2.235 1.00 0.00 H new ATOM 0 HD13 LEU A 25 -0.136 -0.545 -2.274 1.00 0.00 H new ATOM 0 HD21 LEU A 25 -0.217 -0.103 0.767 1.00 0.00 H new ATOM 0 HD22 LEU A 25 -1.563 0.150 -0.370 1.00 0.00 H new ATOM 0 HD23 LEU A 25 -1.772 -0.926 1.032 1.00 0.00 H new ATOM 361 N SER A 26 -2.204 -5.163 -2.710 1.00 0.00 N ATOM 362 CA SER A 26 -2.954 -5.979 -3.696 1.00 0.00 C ATOM 363 C SER A 26 -3.464 -7.229 -2.997 1.00 0.00 C ATOM 364 O SER A 26 -4.384 -7.882 -3.448 1.00 0.00 O ATOM 365 CB SER A 26 -1.936 -6.339 -4.776 1.00 0.00 C ATOM 366 OG SER A 26 -2.492 -6.065 -6.055 1.00 0.00 O ATOM 0 H SER A 26 -1.209 -5.049 -2.906 1.00 0.00 H new ATOM 0 HA SER A 26 -3.811 -5.459 -4.123 1.00 0.00 H new ATOM 0 HB2 SER A 26 -1.020 -5.765 -4.634 1.00 0.00 H new ATOM 0 HB3 SER A 26 -1.667 -7.393 -4.702 1.00 0.00 H new ATOM 0 HG SER A 26 -1.841 -6.293 -6.751 1.00 0.00 H new ATOM 372 N LYS A 27 -2.865 -7.564 -1.889 1.00 0.00 N ATOM 373 CA LYS A 27 -3.308 -8.767 -1.149 1.00 0.00 C ATOM 374 C LYS A 27 -3.879 -8.368 0.213 1.00 0.00 C ATOM 375 O LYS A 27 -4.268 -9.205 1.004 1.00 0.00 O ATOM 376 CB LYS A 27 -2.053 -9.621 -0.976 1.00 0.00 C ATOM 377 CG LYS A 27 -1.854 -10.491 -2.217 1.00 0.00 C ATOM 378 CD LYS A 27 -1.740 -9.596 -3.451 1.00 0.00 C ATOM 379 CE LYS A 27 -0.683 -10.167 -4.398 1.00 0.00 C ATOM 380 NZ LYS A 27 -1.216 -11.494 -4.816 1.00 0.00 N ATOM 0 H LYS A 27 -2.089 -7.054 -1.468 1.00 0.00 H new ATOM 0 HA LYS A 27 -4.093 -9.307 -1.678 1.00 0.00 H new ATOM 0 HB2 LYS A 27 -1.183 -8.982 -0.824 1.00 0.00 H new ATOM 0 HB3 LYS A 27 -2.147 -10.249 -0.090 1.00 0.00 H new ATOM 0 HG2 LYS A 27 -0.955 -11.097 -2.109 1.00 0.00 H new ATOM 0 HG3 LYS A 27 -2.691 -11.180 -2.330 1.00 0.00 H new ATOM 0 HD2 LYS A 27 -2.703 -9.533 -3.958 1.00 0.00 H new ATOM 0 HD3 LYS A 27 -1.469 -8.583 -3.155 1.00 0.00 H new ATOM 0 HE2 LYS A 27 -0.530 -9.515 -5.258 1.00 0.00 H new ATOM 0 HE3 LYS A 27 0.281 -10.268 -3.899 1.00 0.00 H new ATOM 0 HZ1 LYS A 27 -0.724 -11.811 -5.676 1.00 0.00 H new ATOM 0 HZ2 LYS A 27 -1.062 -12.185 -4.054 1.00 0.00 H new ATOM 0 HZ3 LYS A 27 -2.235 -11.414 -5.010 1.00 0.00 H new ATOM 394 N VAL A 28 -3.926 -7.095 0.497 1.00 0.00 N ATOM 395 CA VAL A 28 -4.466 -6.647 1.811 1.00 0.00 C ATOM 396 C VAL A 28 -5.850 -7.252 2.056 1.00 0.00 C ATOM 397 O VAL A 28 -6.160 -7.665 3.153 1.00 0.00 O ATOM 398 CB VAL A 28 -4.558 -5.125 1.711 1.00 0.00 C ATOM 399 CG1 VAL A 28 -5.606 -4.738 0.666 1.00 0.00 C ATOM 400 CG2 VAL A 28 -4.960 -4.552 3.072 1.00 0.00 C ATOM 0 H VAL A 28 -3.614 -6.347 -0.123 1.00 0.00 H new ATOM 0 HA VAL A 28 -3.832 -6.963 2.640 1.00 0.00 H new ATOM 0 HB VAL A 28 -3.589 -4.723 1.415 1.00 0.00 H new ATOM 0 HG11 VAL A 28 -5.668 -3.652 0.598 1.00 0.00 H new ATOM 0 HG12 VAL A 28 -5.321 -5.147 -0.304 1.00 0.00 H new ATOM 0 HG13 VAL A 28 -6.576 -5.139 0.958 1.00 0.00 H new ATOM 0 HG21 VAL A 28 -5.027 -3.466 3.004 1.00 0.00 H new ATOM 0 HG22 VAL A 28 -5.928 -4.957 3.366 1.00 0.00 H new ATOM 0 HG23 VAL A 28 -4.212 -4.824 3.817 1.00 0.00 H new ATOM 410 N GLU A 29 -6.681 -7.310 1.044 1.00 0.00 N ATOM 411 CA GLU A 29 -8.048 -7.889 1.218 1.00 0.00 C ATOM 412 C GLU A 29 -8.958 -7.525 0.039 1.00 0.00 C ATOM 413 O GLU A 29 -9.137 -8.297 -0.881 1.00 0.00 O ATOM 414 CB GLU A 29 -8.593 -7.268 2.504 1.00 0.00 C ATOM 415 CG GLU A 29 -8.683 -8.349 3.574 1.00 0.00 C ATOM 416 CD GLU A 29 -9.939 -8.132 4.420 1.00 0.00 C ATOM 417 OE1 GLU A 29 -11.011 -8.482 3.955 1.00 0.00 O ATOM 418 OE2 GLU A 29 -9.807 -7.619 5.519 1.00 0.00 O ATOM 0 H GLU A 29 -6.470 -6.980 0.102 1.00 0.00 H new ATOM 0 HA GLU A 29 -8.010 -8.977 1.265 1.00 0.00 H new ATOM 0 HB2 GLU A 29 -7.942 -6.460 2.838 1.00 0.00 H new ATOM 0 HB3 GLU A 29 -9.576 -6.832 2.325 1.00 0.00 H new ATOM 0 HG2 GLU A 29 -8.712 -9.334 3.108 1.00 0.00 H new ATOM 0 HG3 GLU A 29 -7.797 -8.322 4.208 1.00 0.00 H new ATOM 425 N GLY A 30 -9.555 -6.362 0.073 1.00 0.00 N ATOM 426 CA GLY A 30 -10.476 -5.963 -1.029 1.00 0.00 C ATOM 427 C GLY A 30 -9.768 -5.036 -2.018 1.00 0.00 C ATOM 428 O GLY A 30 -10.381 -4.515 -2.929 1.00 0.00 O ATOM 0 H GLY A 30 -9.444 -5.673 0.816 1.00 0.00 H new ATOM 0 HA2 GLY A 30 -10.835 -6.851 -1.549 1.00 0.00 H new ATOM 0 HA3 GLY A 30 -11.350 -5.461 -0.615 1.00 0.00 H new ATOM 432 N VAL A 31 -8.492 -4.826 -1.851 1.00 0.00 N ATOM 433 CA VAL A 31 -7.751 -3.933 -2.795 1.00 0.00 C ATOM 434 C VAL A 31 -8.235 -4.159 -4.222 1.00 0.00 C ATOM 435 O VAL A 31 -8.309 -5.272 -4.703 1.00 0.00 O ATOM 436 CB VAL A 31 -6.286 -4.331 -2.653 1.00 0.00 C ATOM 437 CG1 VAL A 31 -6.120 -5.806 -3.015 1.00 0.00 C ATOM 438 CG2 VAL A 31 -5.435 -3.473 -3.592 1.00 0.00 C ATOM 0 H VAL A 31 -7.928 -5.232 -1.104 1.00 0.00 H new ATOM 0 HA VAL A 31 -7.906 -2.877 -2.572 1.00 0.00 H new ATOM 0 HB VAL A 31 -5.963 -4.174 -1.624 1.00 0.00 H new ATOM 0 HG11 VAL A 31 -5.073 -6.090 -2.913 1.00 0.00 H new ATOM 0 HG12 VAL A 31 -6.728 -6.415 -2.346 1.00 0.00 H new ATOM 0 HG13 VAL A 31 -6.441 -5.966 -4.044 1.00 0.00 H new ATOM 0 HG21 VAL A 31 -4.387 -3.755 -3.493 1.00 0.00 H new ATOM 0 HG22 VAL A 31 -5.757 -3.631 -4.621 1.00 0.00 H new ATOM 0 HG23 VAL A 31 -5.554 -2.421 -3.332 1.00 0.00 H new ATOM 448 N SER A 32 -8.568 -3.101 -4.896 1.00 0.00 N ATOM 449 CA SER A 32 -9.055 -3.230 -6.294 1.00 0.00 C ATOM 450 C SER A 32 -7.995 -2.710 -7.256 1.00 0.00 C ATOM 451 O SER A 32 -8.077 -2.900 -8.453 1.00 0.00 O ATOM 452 CB SER A 32 -10.316 -2.369 -6.359 1.00 0.00 C ATOM 453 OG SER A 32 -10.880 -2.458 -7.660 1.00 0.00 O ATOM 0 H SER A 32 -8.524 -2.147 -4.539 1.00 0.00 H new ATOM 0 HA SER A 32 -9.262 -4.263 -6.572 1.00 0.00 H new ATOM 0 HB2 SER A 32 -11.038 -2.704 -5.614 1.00 0.00 H new ATOM 0 HB3 SER A 32 -10.074 -1.332 -6.125 1.00 0.00 H new ATOM 0 HG SER A 32 -11.690 -1.908 -7.704 1.00 0.00 H new ATOM 459 N LYS A 33 -6.992 -2.062 -6.739 1.00 0.00 N ATOM 460 CA LYS A 33 -5.916 -1.540 -7.634 1.00 0.00 C ATOM 461 C LYS A 33 -4.681 -1.164 -6.806 1.00 0.00 C ATOM 462 O LYS A 33 -4.731 -1.106 -5.595 1.00 0.00 O ATOM 463 CB LYS A 33 -6.543 -0.320 -8.332 1.00 0.00 C ATOM 464 CG LYS A 33 -5.536 0.834 -8.429 1.00 0.00 C ATOM 465 CD LYS A 33 -6.235 2.081 -8.976 1.00 0.00 C ATOM 466 CE LYS A 33 -5.883 2.258 -10.455 1.00 0.00 C ATOM 467 NZ LYS A 33 -7.103 1.827 -11.194 1.00 0.00 N ATOM 0 H LYS A 33 -6.867 -1.870 -5.745 1.00 0.00 H new ATOM 0 HA LYS A 33 -5.573 -2.273 -8.364 1.00 0.00 H new ATOM 0 HB2 LYS A 33 -6.878 -0.600 -9.331 1.00 0.00 H new ATOM 0 HB3 LYS A 33 -7.424 0.007 -7.780 1.00 0.00 H new ATOM 0 HG2 LYS A 33 -5.112 1.044 -7.447 1.00 0.00 H new ATOM 0 HG3 LYS A 33 -4.708 0.554 -9.080 1.00 0.00 H new ATOM 0 HD2 LYS A 33 -7.314 1.987 -8.857 1.00 0.00 H new ATOM 0 HD3 LYS A 33 -5.927 2.961 -8.410 1.00 0.00 H new ATOM 0 HE2 LYS A 33 -5.631 3.294 -10.680 1.00 0.00 H new ATOM 0 HE3 LYS A 33 -5.020 1.653 -10.731 1.00 0.00 H new ATOM 0 HZ1 LYS A 33 -6.940 1.919 -12.217 1.00 0.00 H new ATOM 0 HZ2 LYS A 33 -7.315 0.835 -10.965 1.00 0.00 H new ATOM 0 HZ3 LYS A 33 -7.907 2.426 -10.916 1.00 0.00 H new ATOM 481 N VAL A 34 -3.571 -0.914 -7.450 1.00 0.00 N ATOM 482 CA VAL A 34 -2.343 -0.552 -6.688 1.00 0.00 C ATOM 483 C VAL A 34 -1.277 0.041 -7.616 1.00 0.00 C ATOM 484 O VAL A 34 -1.219 -0.255 -8.793 1.00 0.00 O ATOM 485 CB VAL A 34 -1.853 -1.868 -6.089 1.00 0.00 C ATOM 486 CG1 VAL A 34 -1.371 -2.789 -7.210 1.00 0.00 C ATOM 487 CG2 VAL A 34 -0.697 -1.590 -5.126 1.00 0.00 C ATOM 0 H VAL A 34 -3.463 -0.945 -8.464 1.00 0.00 H new ATOM 0 HA VAL A 34 -2.545 0.202 -5.927 1.00 0.00 H new ATOM 0 HB VAL A 34 -2.669 -2.348 -5.549 1.00 0.00 H new ATOM 0 HG11 VAL A 34 -1.021 -3.729 -6.783 1.00 0.00 H new ATOM 0 HG12 VAL A 34 -2.193 -2.987 -7.898 1.00 0.00 H new ATOM 0 HG13 VAL A 34 -0.555 -2.309 -7.749 1.00 0.00 H new ATOM 0 HG21 VAL A 34 -0.346 -2.529 -4.698 1.00 0.00 H new ATOM 0 HG22 VAL A 34 0.119 -1.110 -5.666 1.00 0.00 H new ATOM 0 HG23 VAL A 34 -1.039 -0.932 -4.327 1.00 0.00 H new ATOM 497 N ASP A 35 -0.429 0.873 -7.078 1.00 0.00 N ATOM 498 CA ASP A 35 0.652 1.498 -7.892 1.00 0.00 C ATOM 499 C ASP A 35 1.706 2.068 -6.944 1.00 0.00 C ATOM 500 O ASP A 35 1.584 3.171 -6.457 1.00 0.00 O ATOM 501 CB ASP A 35 -0.035 2.614 -8.680 1.00 0.00 C ATOM 502 CG ASP A 35 0.884 3.086 -9.808 1.00 0.00 C ATOM 503 OD1 ASP A 35 1.619 2.264 -10.330 1.00 0.00 O ATOM 504 OD2 ASP A 35 0.836 4.262 -10.133 1.00 0.00 O ATOM 0 H ASP A 35 -0.439 1.150 -6.096 1.00 0.00 H new ATOM 0 HA ASP A 35 1.150 0.796 -8.561 1.00 0.00 H new ATOM 0 HB2 ASP A 35 -0.978 2.255 -9.092 1.00 0.00 H new ATOM 0 HB3 ASP A 35 -0.273 3.447 -8.018 1.00 0.00 H new ATOM 509 N VAL A 36 2.725 1.314 -6.650 1.00 0.00 N ATOM 510 CA VAL A 36 3.753 1.809 -5.693 1.00 0.00 C ATOM 511 C VAL A 36 5.060 2.158 -6.398 1.00 0.00 C ATOM 512 O VAL A 36 5.227 1.943 -7.582 1.00 0.00 O ATOM 513 CB VAL A 36 3.963 0.643 -4.726 1.00 0.00 C ATOM 514 CG1 VAL A 36 4.842 1.087 -3.556 1.00 0.00 C ATOM 515 CG2 VAL A 36 2.606 0.172 -4.196 1.00 0.00 C ATOM 0 H VAL A 36 2.892 0.381 -7.028 1.00 0.00 H new ATOM 0 HA VAL A 36 3.432 2.723 -5.194 1.00 0.00 H new ATOM 0 HB VAL A 36 4.456 -0.175 -5.252 1.00 0.00 H new ATOM 0 HG11 VAL A 36 4.987 0.251 -2.872 1.00 0.00 H new ATOM 0 HG12 VAL A 36 5.809 1.419 -3.933 1.00 0.00 H new ATOM 0 HG13 VAL A 36 4.357 1.908 -3.028 1.00 0.00 H new ATOM 0 HG21 VAL A 36 2.753 -0.659 -3.506 1.00 0.00 H new ATOM 0 HG22 VAL A 36 2.114 0.993 -3.675 1.00 0.00 H new ATOM 0 HG23 VAL A 36 1.983 -0.154 -5.029 1.00 0.00 H new ATOM 525 N GLY A 37 5.988 2.701 -5.661 1.00 0.00 N ATOM 526 CA GLY A 37 7.293 3.080 -6.249 1.00 0.00 C ATOM 527 C GLY A 37 8.413 2.517 -5.381 1.00 0.00 C ATOM 528 O GLY A 37 8.502 2.810 -4.193 1.00 0.00 O ATOM 0 H GLY A 37 5.892 2.899 -4.665 1.00 0.00 H new ATOM 0 HA2 GLY A 37 7.374 2.694 -7.265 1.00 0.00 H new ATOM 0 HA3 GLY A 37 7.376 4.165 -6.313 1.00 0.00 H new ATOM 532 N PHE A 38 9.251 1.706 -5.979 1.00 0.00 N ATOM 533 CA PHE A 38 10.395 1.082 -5.258 1.00 0.00 C ATOM 534 C PHE A 38 11.270 2.165 -4.615 1.00 0.00 C ATOM 535 O PHE A 38 10.766 3.164 -4.172 1.00 0.00 O ATOM 536 CB PHE A 38 11.155 0.329 -6.358 1.00 0.00 C ATOM 537 CG PHE A 38 11.376 1.237 -7.549 1.00 0.00 C ATOM 538 CD1 PHE A 38 12.386 2.208 -7.523 1.00 0.00 C ATOM 539 CD2 PHE A 38 10.568 1.102 -8.686 1.00 0.00 C ATOM 540 CE1 PHE A 38 12.586 3.042 -8.629 1.00 0.00 C ATOM 541 CE2 PHE A 38 10.769 1.937 -9.792 1.00 0.00 C ATOM 542 CZ PHE A 38 11.777 2.907 -9.762 1.00 0.00 C ATOM 0 H PHE A 38 9.184 1.446 -6.963 1.00 0.00 H new ATOM 0 HA PHE A 38 10.086 0.423 -4.446 1.00 0.00 H new ATOM 0 HB2 PHE A 38 12.113 -0.022 -5.975 1.00 0.00 H new ATOM 0 HB3 PHE A 38 10.592 -0.553 -6.662 1.00 0.00 H new ATOM 0 HD1 PHE A 38 13.011 2.313 -6.648 1.00 0.00 H new ATOM 0 HD2 PHE A 38 9.790 0.353 -8.709 1.00 0.00 H new ATOM 0 HE1 PHE A 38 13.365 3.790 -8.608 1.00 0.00 H new ATOM 0 HE2 PHE A 38 10.146 1.832 -10.668 1.00 0.00 H new ATOM 0 HZ PHE A 38 11.931 3.552 -10.614 1.00 0.00 H new ATOM 552 N GLU A 39 12.568 1.953 -4.569 1.00 0.00 N ATOM 553 CA GLU A 39 13.529 2.946 -3.963 1.00 0.00 C ATOM 554 C GLU A 39 12.825 4.188 -3.396 1.00 0.00 C ATOM 555 O GLU A 39 12.822 4.403 -2.202 1.00 0.00 O ATOM 556 CB GLU A 39 14.452 3.345 -5.115 1.00 0.00 C ATOM 557 CG GLU A 39 15.527 4.302 -4.598 1.00 0.00 C ATOM 558 CD GLU A 39 16.527 3.529 -3.737 1.00 0.00 C ATOM 559 OE1 GLU A 39 17.135 2.606 -4.254 1.00 0.00 O ATOM 560 OE2 GLU A 39 16.668 3.872 -2.575 1.00 0.00 O ATOM 0 H GLU A 39 13.015 1.112 -4.935 1.00 0.00 H new ATOM 0 HA GLU A 39 14.057 2.504 -3.118 1.00 0.00 H new ATOM 0 HB2 GLU A 39 14.916 2.459 -5.547 1.00 0.00 H new ATOM 0 HB3 GLU A 39 13.876 3.822 -5.908 1.00 0.00 H new ATOM 0 HG2 GLU A 39 16.041 4.775 -5.435 1.00 0.00 H new ATOM 0 HG3 GLU A 39 15.068 5.100 -4.014 1.00 0.00 H new ATOM 567 N LYS A 40 12.230 5.001 -4.237 1.00 0.00 N ATOM 568 CA LYS A 40 11.522 6.221 -3.735 1.00 0.00 C ATOM 569 C LYS A 40 10.847 5.925 -2.392 1.00 0.00 C ATOM 570 O LYS A 40 11.201 6.508 -1.390 1.00 0.00 O ATOM 571 CB LYS A 40 10.479 6.541 -4.802 1.00 0.00 C ATOM 572 CG LYS A 40 10.883 7.819 -5.538 1.00 0.00 C ATOM 573 CD LYS A 40 9.694 8.339 -6.348 1.00 0.00 C ATOM 574 CE LYS A 40 10.125 8.563 -7.800 1.00 0.00 C ATOM 575 NZ LYS A 40 9.770 7.299 -8.503 1.00 0.00 N ATOM 0 H LYS A 40 12.204 4.872 -5.248 1.00 0.00 H new ATOM 0 HA LYS A 40 12.203 7.056 -3.570 1.00 0.00 H new ATOM 0 HB2 LYS A 40 10.397 5.713 -5.506 1.00 0.00 H new ATOM 0 HB3 LYS A 40 9.499 6.667 -4.342 1.00 0.00 H new ATOM 0 HG2 LYS A 40 11.209 8.575 -4.824 1.00 0.00 H new ATOM 0 HG3 LYS A 40 11.727 7.620 -6.198 1.00 0.00 H new ATOM 0 HD2 LYS A 40 8.872 7.624 -6.307 1.00 0.00 H new ATOM 0 HD3 LYS A 40 9.327 9.271 -5.918 1.00 0.00 H new ATOM 0 HE2 LYS A 40 9.609 9.417 -8.238 1.00 0.00 H new ATOM 0 HE3 LYS A 40 11.194 8.767 -7.868 1.00 0.00 H new ATOM 0 HZ1 LYS A 40 10.035 7.373 -9.506 1.00 0.00 H new ATOM 0 HZ2 LYS A 40 10.281 6.505 -8.068 1.00 0.00 H new ATOM 0 HZ3 LYS A 40 8.746 7.135 -8.427 1.00 0.00 H new ATOM 589 N ARG A 41 9.892 5.008 -2.393 1.00 0.00 N ATOM 590 CA ARG A 41 9.144 4.585 -1.146 1.00 0.00 C ATOM 591 C ARG A 41 7.749 5.189 -1.111 1.00 0.00 C ATOM 592 O ARG A 41 7.492 6.133 -0.393 1.00 0.00 O ATOM 593 CB ARG A 41 9.931 5.070 0.066 1.00 0.00 C ATOM 594 CG ARG A 41 9.326 4.485 1.342 1.00 0.00 C ATOM 595 CD ARG A 41 8.698 5.613 2.162 1.00 0.00 C ATOM 596 NE ARG A 41 9.770 6.645 2.264 1.00 0.00 N ATOM 597 CZ ARG A 41 9.501 7.827 2.746 1.00 0.00 C ATOM 598 NH1 ARG A 41 8.291 8.112 3.148 1.00 0.00 N ATOM 599 NH2 ARG A 41 10.444 8.725 2.829 1.00 0.00 N ATOM 0 H ARG A 41 9.590 4.519 -3.236 1.00 0.00 H new ATOM 0 HA ARG A 41 9.043 3.500 -1.140 1.00 0.00 H new ATOM 0 HB2 ARG A 41 10.975 4.771 -0.023 1.00 0.00 H new ATOM 0 HB3 ARG A 41 9.914 6.159 0.110 1.00 0.00 H new ATOM 0 HG2 ARG A 41 8.573 3.738 1.092 1.00 0.00 H new ATOM 0 HG3 ARG A 41 10.096 3.980 1.925 1.00 0.00 H new ATOM 0 HD2 ARG A 41 7.809 6.012 1.673 1.00 0.00 H new ATOM 0 HD3 ARG A 41 8.390 5.263 3.147 1.00 0.00 H new ATOM 0 HE ARG A 41 10.717 6.426 1.956 1.00 0.00 H new ATOM 0 HH11 ARG A 41 7.554 7.410 3.085 1.00 0.00 H new ATOM 0 HH12 ARG A 41 8.083 9.037 3.525 1.00 0.00 H new ATOM 0 HH21 ARG A 41 11.389 8.502 2.517 1.00 0.00 H new ATOM 0 HH22 ARG A 41 10.236 9.650 3.206 1.00 0.00 H new ATOM 613 N GLU A 42 6.836 4.649 -1.858 1.00 0.00 N ATOM 614 CA GLU A 42 5.449 5.219 -1.813 1.00 0.00 C ATOM 615 C GLU A 42 4.444 4.307 -2.522 1.00 0.00 C ATOM 616 O GLU A 42 4.538 4.077 -3.708 1.00 0.00 O ATOM 617 CB GLU A 42 5.554 6.563 -2.534 1.00 0.00 C ATOM 618 CG GLU A 42 4.269 7.364 -2.316 1.00 0.00 C ATOM 619 CD GLU A 42 3.296 7.093 -3.465 1.00 0.00 C ATOM 620 OE1 GLU A 42 3.629 7.431 -4.589 1.00 0.00 O ATOM 621 OE2 GLU A 42 2.235 6.552 -3.201 1.00 0.00 O ATOM 0 H GLU A 42 6.974 3.857 -2.486 1.00 0.00 H new ATOM 0 HA GLU A 42 5.091 5.321 -0.788 1.00 0.00 H new ATOM 0 HB2 GLU A 42 6.411 7.122 -2.159 1.00 0.00 H new ATOM 0 HB3 GLU A 42 5.719 6.404 -3.600 1.00 0.00 H new ATOM 0 HG2 GLU A 42 3.812 7.087 -1.366 1.00 0.00 H new ATOM 0 HG3 GLU A 42 4.497 8.429 -2.262 1.00 0.00 H new ATOM 628 N ALA A 43 3.471 3.790 -1.810 1.00 0.00 N ATOM 629 CA ALA A 43 2.472 2.898 -2.466 1.00 0.00 C ATOM 630 C ALA A 43 1.088 3.552 -2.514 1.00 0.00 C ATOM 631 O ALA A 43 0.488 3.826 -1.502 1.00 0.00 O ATOM 632 CB ALA A 43 2.439 1.645 -1.591 1.00 0.00 C ATOM 0 H ALA A 43 3.329 3.947 -0.812 1.00 0.00 H new ATOM 0 HA ALA A 43 2.741 2.681 -3.500 1.00 0.00 H new ATOM 0 HB1 ALA A 43 1.725 0.932 -2.004 1.00 0.00 H new ATOM 0 HB2 ALA A 43 3.430 1.193 -1.565 1.00 0.00 H new ATOM 0 HB3 ALA A 43 2.137 1.916 -0.579 1.00 0.00 H new ATOM 638 N VAL A 44 0.557 3.769 -3.683 1.00 0.00 N ATOM 639 CA VAL A 44 -0.803 4.369 -3.771 1.00 0.00 C ATOM 640 C VAL A 44 -1.772 3.278 -4.211 1.00 0.00 C ATOM 641 O VAL A 44 -1.582 2.633 -5.222 1.00 0.00 O ATOM 642 CB VAL A 44 -0.705 5.496 -4.806 1.00 0.00 C ATOM 643 CG1 VAL A 44 -0.715 4.921 -6.224 1.00 0.00 C ATOM 644 CG2 VAL A 44 -1.899 6.439 -4.636 1.00 0.00 C ATOM 0 H VAL A 44 1.002 3.559 -4.577 1.00 0.00 H new ATOM 0 HA VAL A 44 -1.161 4.771 -2.823 1.00 0.00 H new ATOM 0 HB VAL A 44 0.228 6.039 -4.652 1.00 0.00 H new ATOM 0 HG11 VAL A 44 -0.645 5.734 -6.947 1.00 0.00 H new ATOM 0 HG12 VAL A 44 0.134 4.249 -6.350 1.00 0.00 H new ATOM 0 HG13 VAL A 44 -1.641 4.370 -6.387 1.00 0.00 H new ATOM 0 HG21 VAL A 44 -1.835 7.243 -5.369 1.00 0.00 H new ATOM 0 HG22 VAL A 44 -2.825 5.884 -4.786 1.00 0.00 H new ATOM 0 HG23 VAL A 44 -1.888 6.862 -3.632 1.00 0.00 H new ATOM 654 N VAL A 45 -2.776 3.016 -3.429 1.00 0.00 N ATOM 655 CA VAL A 45 -3.700 1.906 -3.795 1.00 0.00 C ATOM 656 C VAL A 45 -5.172 2.315 -3.768 1.00 0.00 C ATOM 657 O VAL A 45 -5.573 3.249 -3.104 1.00 0.00 O ATOM 658 CB VAL A 45 -3.432 0.840 -2.730 1.00 0.00 C ATOM 659 CG1 VAL A 45 -4.163 1.200 -1.434 1.00 0.00 C ATOM 660 CG2 VAL A 45 -3.923 -0.522 -3.229 1.00 0.00 C ATOM 0 H VAL A 45 -2.998 3.511 -2.565 1.00 0.00 H new ATOM 0 HA VAL A 45 -3.521 1.569 -4.816 1.00 0.00 H new ATOM 0 HB VAL A 45 -2.360 0.793 -2.537 1.00 0.00 H new ATOM 0 HG11 VAL A 45 -3.967 0.436 -0.681 1.00 0.00 H new ATOM 0 HG12 VAL A 45 -3.808 2.165 -1.072 1.00 0.00 H new ATOM 0 HG13 VAL A 45 -5.235 1.255 -1.624 1.00 0.00 H new ATOM 0 HG21 VAL A 45 -3.731 -1.279 -2.469 1.00 0.00 H new ATOM 0 HG22 VAL A 45 -4.993 -0.472 -3.429 1.00 0.00 H new ATOM 0 HG23 VAL A 45 -3.395 -0.786 -4.145 1.00 0.00 H new ATOM 670 N THR A 46 -5.973 1.563 -4.464 1.00 0.00 N ATOM 671 CA THR A 46 -7.438 1.805 -4.488 1.00 0.00 C ATOM 672 C THR A 46 -8.097 0.563 -3.906 1.00 0.00 C ATOM 673 O THR A 46 -7.528 -0.510 -3.950 1.00 0.00 O ATOM 674 CB THR A 46 -7.800 1.969 -5.967 1.00 0.00 C ATOM 675 OG1 THR A 46 -7.578 3.314 -6.364 1.00 0.00 O ATOM 676 CG2 THR A 46 -9.273 1.604 -6.187 1.00 0.00 C ATOM 0 H THR A 46 -5.666 0.772 -5.030 1.00 0.00 H new ATOM 0 HA THR A 46 -7.756 2.679 -3.920 1.00 0.00 H new ATOM 0 HB THR A 46 -7.175 1.306 -6.565 1.00 0.00 H new ATOM 0 HG1 THR A 46 -7.955 3.458 -7.257 1.00 0.00 H new ATOM 0 HG21 THR A 46 -9.524 1.723 -7.241 1.00 0.00 H new ATOM 0 HG22 THR A 46 -9.440 0.569 -5.889 1.00 0.00 H new ATOM 0 HG23 THR A 46 -9.904 2.260 -5.588 1.00 0.00 H new ATOM 684 N PHE A 47 -9.267 0.673 -3.358 1.00 0.00 N ATOM 685 CA PHE A 47 -9.895 -0.543 -2.787 1.00 0.00 C ATOM 686 C PHE A 47 -11.324 -0.278 -2.373 1.00 0.00 C ATOM 687 O PHE A 47 -11.824 0.820 -2.476 1.00 0.00 O ATOM 688 CB PHE A 47 -9.052 -0.884 -1.557 1.00 0.00 C ATOM 689 CG PHE A 47 -9.252 0.188 -0.509 1.00 0.00 C ATOM 690 CD1 PHE A 47 -10.348 0.126 0.368 1.00 0.00 C ATOM 691 CD2 PHE A 47 -8.347 1.254 -0.420 1.00 0.00 C ATOM 692 CE1 PHE A 47 -10.533 1.126 1.326 1.00 0.00 C ATOM 693 CE2 PHE A 47 -8.538 2.256 0.540 1.00 0.00 C ATOM 694 CZ PHE A 47 -9.631 2.190 1.411 1.00 0.00 C ATOM 0 H PHE A 47 -9.808 1.534 -3.280 1.00 0.00 H new ATOM 0 HA PHE A 47 -9.925 -1.354 -3.515 1.00 0.00 H new ATOM 0 HB2 PHE A 47 -9.342 -1.857 -1.160 1.00 0.00 H new ATOM 0 HB3 PHE A 47 -7.999 -0.952 -1.830 1.00 0.00 H new ATOM 0 HD1 PHE A 47 -11.047 -0.694 0.302 1.00 0.00 H new ATOM 0 HD2 PHE A 47 -7.502 1.303 -1.091 1.00 0.00 H new ATOM 0 HE1 PHE A 47 -11.374 1.077 2.002 1.00 0.00 H new ATOM 0 HE2 PHE A 47 -7.842 3.079 0.608 1.00 0.00 H new ATOM 0 HZ PHE A 47 -9.778 2.963 2.151 1.00 0.00 H new ATOM 704 N ASP A 48 -11.965 -1.286 -1.867 1.00 0.00 N ATOM 705 CA ASP A 48 -13.358 -1.125 -1.396 1.00 0.00 C ATOM 706 C ASP A 48 -13.333 -1.141 0.127 1.00 0.00 C ATOM 707 O ASP A 48 -12.924 -2.107 0.741 1.00 0.00 O ATOM 708 CB ASP A 48 -14.119 -2.333 -1.945 1.00 0.00 C ATOM 709 CG ASP A 48 -13.769 -2.531 -3.422 1.00 0.00 C ATOM 710 OD1 ASP A 48 -12.739 -3.127 -3.691 1.00 0.00 O ATOM 711 OD2 ASP A 48 -14.539 -2.087 -4.257 1.00 0.00 O ATOM 0 H ASP A 48 -11.578 -2.224 -1.759 1.00 0.00 H new ATOM 0 HA ASP A 48 -13.828 -0.198 -1.725 1.00 0.00 H new ATOM 0 HB2 ASP A 48 -13.862 -3.227 -1.377 1.00 0.00 H new ATOM 0 HB3 ASP A 48 -15.193 -2.182 -1.832 1.00 0.00 H new ATOM 716 N ASP A 49 -13.725 -0.067 0.745 1.00 0.00 N ATOM 717 CA ASP A 49 -13.673 -0.019 2.231 1.00 0.00 C ATOM 718 C ASP A 49 -14.626 -1.055 2.846 1.00 0.00 C ATOM 719 O ASP A 49 -14.629 -1.271 4.042 1.00 0.00 O ATOM 720 CB ASP A 49 -14.075 1.414 2.601 1.00 0.00 C ATOM 721 CG ASP A 49 -14.586 1.459 4.044 1.00 0.00 C ATOM 722 OD1 ASP A 49 -13.762 1.458 4.943 1.00 0.00 O ATOM 723 OD2 ASP A 49 -15.792 1.492 4.223 1.00 0.00 O ATOM 0 H ASP A 49 -14.077 0.776 0.291 1.00 0.00 H new ATOM 0 HA ASP A 49 -12.683 -0.265 2.616 1.00 0.00 H new ATOM 0 HB2 ASP A 49 -13.220 2.081 2.488 1.00 0.00 H new ATOM 0 HB3 ASP A 49 -14.849 1.770 1.921 1.00 0.00 H new ATOM 728 N THR A 50 -15.425 -1.705 2.045 1.00 0.00 N ATOM 729 CA THR A 50 -16.359 -2.731 2.601 1.00 0.00 C ATOM 730 C THR A 50 -15.579 -3.980 3.030 1.00 0.00 C ATOM 731 O THR A 50 -16.001 -4.718 3.898 1.00 0.00 O ATOM 732 CB THR A 50 -17.327 -3.070 1.462 1.00 0.00 C ATOM 733 OG1 THR A 50 -16.681 -2.879 0.211 1.00 0.00 O ATOM 734 CG2 THR A 50 -18.557 -2.166 1.547 1.00 0.00 C ATOM 0 H THR A 50 -15.473 -1.573 1.035 1.00 0.00 H new ATOM 0 HA THR A 50 -16.887 -2.363 3.481 1.00 0.00 H new ATOM 0 HB THR A 50 -17.637 -4.111 1.552 1.00 0.00 H new ATOM 0 HG1 THR A 50 -17.302 -3.098 -0.515 1.00 0.00 H new ATOM 0 HG21 THR A 50 -19.244 -2.409 0.736 1.00 0.00 H new ATOM 0 HG22 THR A 50 -19.056 -2.320 2.504 1.00 0.00 H new ATOM 0 HG23 THR A 50 -18.249 -1.124 1.462 1.00 0.00 H new ATOM 742 N LYS A 51 -14.445 -4.223 2.427 1.00 0.00 N ATOM 743 CA LYS A 51 -13.641 -5.426 2.800 1.00 0.00 C ATOM 744 C LYS A 51 -12.221 -5.018 3.206 1.00 0.00 C ATOM 745 O LYS A 51 -11.402 -5.844 3.554 1.00 0.00 O ATOM 746 CB LYS A 51 -13.606 -6.285 1.537 1.00 0.00 C ATOM 747 CG LYS A 51 -14.300 -7.621 1.804 1.00 0.00 C ATOM 748 CD LYS A 51 -13.922 -8.617 0.707 1.00 0.00 C ATOM 749 CE LYS A 51 -13.319 -9.873 1.340 1.00 0.00 C ATOM 750 NZ LYS A 51 -13.672 -10.976 0.405 1.00 0.00 N ATOM 0 H LYS A 51 -14.040 -3.642 1.693 1.00 0.00 H new ATOM 0 HA LYS A 51 -14.071 -5.958 3.648 1.00 0.00 H new ATOM 0 HB2 LYS A 51 -14.101 -5.764 0.717 1.00 0.00 H new ATOM 0 HB3 LYS A 51 -12.574 -6.455 1.230 1.00 0.00 H new ATOM 0 HG2 LYS A 51 -14.005 -8.008 2.779 1.00 0.00 H new ATOM 0 HG3 LYS A 51 -15.381 -7.483 1.829 1.00 0.00 H new ATOM 0 HD2 LYS A 51 -14.803 -8.880 0.121 1.00 0.00 H new ATOM 0 HD3 LYS A 51 -13.206 -8.164 0.021 1.00 0.00 H new ATOM 0 HE2 LYS A 51 -12.239 -9.780 1.452 1.00 0.00 H new ATOM 0 HE3 LYS A 51 -13.729 -10.051 2.334 1.00 0.00 H new ATOM 0 HZ1 LYS A 51 -13.294 -11.874 0.769 1.00 0.00 H new ATOM 0 HZ2 LYS A 51 -14.707 -11.044 0.323 1.00 0.00 H new ATOM 0 HZ3 LYS A 51 -13.263 -10.782 -0.531 1.00 0.00 H new ATOM 764 N ALA A 52 -11.928 -3.749 3.160 1.00 0.00 N ATOM 765 CA ALA A 52 -10.564 -3.276 3.539 1.00 0.00 C ATOM 766 C ALA A 52 -10.614 -1.793 3.894 1.00 0.00 C ATOM 767 O ALA A 52 -11.671 -1.227 4.086 1.00 0.00 O ATOM 768 CB ALA A 52 -9.703 -3.498 2.295 1.00 0.00 C ATOM 0 H ALA A 52 -12.576 -3.015 2.875 1.00 0.00 H new ATOM 0 HA ALA A 52 -10.166 -3.805 4.405 1.00 0.00 H new ATOM 0 HB1 ALA A 52 -8.682 -3.173 2.496 1.00 0.00 H new ATOM 0 HB2 ALA A 52 -9.702 -4.557 2.037 1.00 0.00 H new ATOM 0 HB3 ALA A 52 -10.110 -2.922 1.464 1.00 0.00 H new ATOM 774 N SER A 53 -9.483 -1.157 3.984 1.00 0.00 N ATOM 775 CA SER A 53 -9.482 0.292 4.323 1.00 0.00 C ATOM 776 C SER A 53 -8.052 0.826 4.388 1.00 0.00 C ATOM 777 O SER A 53 -7.107 0.083 4.557 1.00 0.00 O ATOM 778 CB SER A 53 -10.147 0.378 5.695 1.00 0.00 C ATOM 779 OG SER A 53 -9.745 -0.735 6.483 1.00 0.00 O ATOM 0 H SER A 53 -8.563 -1.574 3.839 1.00 0.00 H new ATOM 0 HA SER A 53 -10.006 0.887 3.575 1.00 0.00 H new ATOM 0 HB2 SER A 53 -9.867 1.308 6.190 1.00 0.00 H new ATOM 0 HB3 SER A 53 -11.232 0.388 5.586 1.00 0.00 H new ATOM 0 HG SER A 53 -10.169 -0.682 7.365 1.00 0.00 H new ATOM 785 N VAL A 54 -7.894 2.113 4.258 1.00 0.00 N ATOM 786 CA VAL A 54 -6.533 2.713 4.320 1.00 0.00 C ATOM 787 C VAL A 54 -5.718 2.046 5.426 1.00 0.00 C ATOM 788 O VAL A 54 -4.557 1.735 5.253 1.00 0.00 O ATOM 789 CB VAL A 54 -6.772 4.188 4.639 1.00 0.00 C ATOM 790 CG1 VAL A 54 -7.517 4.309 5.970 1.00 0.00 C ATOM 791 CG2 VAL A 54 -5.430 4.912 4.738 1.00 0.00 C ATOM 0 H VAL A 54 -8.653 2.778 4.111 1.00 0.00 H new ATOM 0 HA VAL A 54 -5.975 2.582 3.393 1.00 0.00 H new ATOM 0 HB VAL A 54 -7.370 4.638 3.847 1.00 0.00 H new ATOM 0 HG11 VAL A 54 -7.687 5.361 6.197 1.00 0.00 H new ATOM 0 HG12 VAL A 54 -8.475 3.793 5.899 1.00 0.00 H new ATOM 0 HG13 VAL A 54 -6.920 3.858 6.763 1.00 0.00 H new ATOM 0 HG21 VAL A 54 -5.600 5.964 4.966 1.00 0.00 H new ATOM 0 HG22 VAL A 54 -4.831 4.462 5.530 1.00 0.00 H new ATOM 0 HG23 VAL A 54 -4.900 4.827 3.789 1.00 0.00 H new ATOM 801 N GLN A 55 -6.319 1.813 6.559 1.00 0.00 N ATOM 802 CA GLN A 55 -5.576 1.155 7.667 1.00 0.00 C ATOM 803 C GLN A 55 -5.109 -0.231 7.222 1.00 0.00 C ATOM 804 O GLN A 55 -3.971 -0.606 7.419 1.00 0.00 O ATOM 805 CB GLN A 55 -6.583 1.037 8.810 1.00 0.00 C ATOM 806 CG GLN A 55 -5.960 1.591 10.092 1.00 0.00 C ATOM 807 CD GLN A 55 -5.952 3.119 10.032 1.00 0.00 C ATOM 808 OE1 GLN A 55 -5.136 3.707 9.352 1.00 0.00 O ATOM 809 NE2 GLN A 55 -6.835 3.791 10.719 1.00 0.00 N ATOM 0 H GLN A 55 -7.290 2.049 6.765 1.00 0.00 H new ATOM 0 HA GLN A 55 -4.691 1.717 7.966 1.00 0.00 H new ATOM 0 HB2 GLN A 55 -7.492 1.587 8.567 1.00 0.00 H new ATOM 0 HB3 GLN A 55 -6.869 -0.005 8.952 1.00 0.00 H new ATOM 0 HG2 GLN A 55 -6.526 1.253 10.960 1.00 0.00 H new ATOM 0 HG3 GLN A 55 -4.943 1.215 10.208 1.00 0.00 H new ATOM 0 HE21 GLN A 55 -7.520 3.297 11.290 1.00 0.00 H new ATOM 0 HE22 GLN A 55 -6.840 4.810 10.685 1.00 0.00 H new ATOM 818 N LYS A 56 -5.981 -0.996 6.621 1.00 0.00 N ATOM 819 CA LYS A 56 -5.584 -2.355 6.164 1.00 0.00 C ATOM 820 C LYS A 56 -4.518 -2.262 5.067 1.00 0.00 C ATOM 821 O LYS A 56 -3.750 -3.182 4.868 1.00 0.00 O ATOM 822 CB LYS A 56 -6.868 -2.992 5.628 1.00 0.00 C ATOM 823 CG LYS A 56 -7.219 -4.216 6.479 1.00 0.00 C ATOM 824 CD LYS A 56 -8.735 -4.290 6.677 1.00 0.00 C ATOM 825 CE LYS A 56 -9.043 -4.880 8.057 1.00 0.00 C ATOM 826 NZ LYS A 56 -9.999 -3.923 8.682 1.00 0.00 N ATOM 0 H LYS A 56 -6.949 -0.737 6.428 1.00 0.00 H new ATOM 0 HA LYS A 56 -5.149 -2.947 6.969 1.00 0.00 H new ATOM 0 HB2 LYS A 56 -7.684 -2.270 5.654 1.00 0.00 H new ATOM 0 HB3 LYS A 56 -6.735 -3.285 4.587 1.00 0.00 H new ATOM 0 HG2 LYS A 56 -6.861 -5.124 5.993 1.00 0.00 H new ATOM 0 HG3 LYS A 56 -6.719 -4.154 7.446 1.00 0.00 H new ATOM 0 HD2 LYS A 56 -9.173 -3.296 6.589 1.00 0.00 H new ATOM 0 HD3 LYS A 56 -9.184 -4.906 5.898 1.00 0.00 H new ATOM 0 HE2 LYS A 56 -9.480 -5.875 7.972 1.00 0.00 H new ATOM 0 HE3 LYS A 56 -8.137 -4.980 8.655 1.00 0.00 H new ATOM 0 HZ1 LYS A 56 -10.257 -4.260 9.631 1.00 0.00 H new ATOM 0 HZ2 LYS A 56 -9.554 -2.986 8.756 1.00 0.00 H new ATOM 0 HZ3 LYS A 56 -10.855 -3.854 8.095 1.00 0.00 H new ATOM 840 N LEU A 57 -4.438 -1.160 4.362 1.00 0.00 N ATOM 841 CA LEU A 57 -3.389 -1.051 3.310 1.00 0.00 C ATOM 842 C LEU A 57 -2.037 -0.887 3.998 1.00 0.00 C ATOM 843 O LEU A 57 -1.105 -1.632 3.762 1.00 0.00 O ATOM 844 CB LEU A 57 -3.741 0.196 2.502 1.00 0.00 C ATOM 845 CG LEU A 57 -5.201 0.133 2.043 1.00 0.00 C ATOM 846 CD1 LEU A 57 -5.584 1.478 1.440 1.00 0.00 C ATOM 847 CD2 LEU A 57 -5.373 -0.958 0.984 1.00 0.00 C ATOM 0 H LEU A 57 -5.044 -0.346 4.469 1.00 0.00 H new ATOM 0 HA LEU A 57 -3.339 -1.927 2.663 1.00 0.00 H new ATOM 0 HB2 LEU A 57 -3.581 1.088 3.107 1.00 0.00 H new ATOM 0 HB3 LEU A 57 -3.083 0.275 1.637 1.00 0.00 H new ATOM 0 HG LEU A 57 -5.839 -0.096 2.897 1.00 0.00 H new ATOM 0 HD11 LEU A 57 -6.622 1.446 1.109 1.00 0.00 H new ATOM 0 HD12 LEU A 57 -5.466 2.260 2.190 1.00 0.00 H new ATOM 0 HD13 LEU A 57 -4.938 1.692 0.588 1.00 0.00 H new ATOM 0 HD21 LEU A 57 -6.415 -0.994 0.665 1.00 0.00 H new ATOM 0 HD22 LEU A 57 -4.738 -0.736 0.126 1.00 0.00 H new ATOM 0 HD23 LEU A 57 -5.089 -1.922 1.406 1.00 0.00 H new ATOM 859 N THR A 58 -1.941 0.070 4.879 1.00 0.00 N ATOM 860 CA THR A 58 -0.673 0.274 5.622 1.00 0.00 C ATOM 861 C THR A 58 -0.418 -0.962 6.476 1.00 0.00 C ATOM 862 O THR A 58 0.694 -1.243 6.874 1.00 0.00 O ATOM 863 CB THR A 58 -0.917 1.497 6.505 1.00 0.00 C ATOM 864 OG1 THR A 58 -1.706 2.444 5.796 1.00 0.00 O ATOM 865 CG2 THR A 58 0.422 2.129 6.888 1.00 0.00 C ATOM 0 H THR A 58 -2.691 0.720 5.115 1.00 0.00 H new ATOM 0 HA THR A 58 0.189 0.425 4.973 1.00 0.00 H new ATOM 0 HB THR A 58 -1.443 1.192 7.410 1.00 0.00 H new ATOM 0 HG1 THR A 58 -2.251 2.955 6.430 1.00 0.00 H new ATOM 0 HG21 THR A 58 0.246 3.001 7.518 1.00 0.00 H new ATOM 0 HG22 THR A 58 1.024 1.403 7.434 1.00 0.00 H new ATOM 0 HG23 THR A 58 0.952 2.434 5.986 1.00 0.00 H new ATOM 873 N LYS A 59 -1.454 -1.711 6.748 1.00 0.00 N ATOM 874 CA LYS A 59 -1.292 -2.946 7.560 1.00 0.00 C ATOM 875 C LYS A 59 -0.797 -4.074 6.661 1.00 0.00 C ATOM 876 O LYS A 59 -0.141 -4.994 7.106 1.00 0.00 O ATOM 877 CB LYS A 59 -2.684 -3.269 8.102 1.00 0.00 C ATOM 878 CG LYS A 59 -2.550 -4.158 9.340 1.00 0.00 C ATOM 879 CD LYS A 59 -3.749 -5.103 9.425 1.00 0.00 C ATOM 880 CE LYS A 59 -3.613 -6.200 8.366 1.00 0.00 C ATOM 881 NZ LYS A 59 -4.982 -6.767 8.224 1.00 0.00 N ATOM 0 H LYS A 59 -2.407 -1.517 6.440 1.00 0.00 H new ATOM 0 HA LYS A 59 -0.572 -2.821 8.369 1.00 0.00 H new ATOM 0 HB2 LYS A 59 -3.211 -2.349 8.356 1.00 0.00 H new ATOM 0 HB3 LYS A 59 -3.276 -3.775 7.339 1.00 0.00 H new ATOM 0 HG2 LYS A 59 -1.625 -4.732 9.290 1.00 0.00 H new ATOM 0 HG3 LYS A 59 -2.495 -3.543 10.238 1.00 0.00 H new ATOM 0 HD2 LYS A 59 -3.805 -5.547 10.419 1.00 0.00 H new ATOM 0 HD3 LYS A 59 -4.674 -4.548 9.272 1.00 0.00 H new ATOM 0 HE2 LYS A 59 -3.254 -5.794 7.420 1.00 0.00 H new ATOM 0 HE3 LYS A 59 -2.900 -6.963 8.677 1.00 0.00 H new ATOM 0 HZ1 LYS A 59 -4.971 -7.527 7.514 1.00 0.00 H new ATOM 0 HZ2 LYS A 59 -5.295 -7.152 9.138 1.00 0.00 H new ATOM 0 HZ3 LYS A 59 -5.638 -6.019 7.921 1.00 0.00 H new ATOM 895 N ALA A 60 -1.095 -4.007 5.389 1.00 0.00 N ATOM 896 CA ALA A 60 -0.622 -5.076 4.469 1.00 0.00 C ATOM 897 C ALA A 60 0.886 -4.944 4.291 1.00 0.00 C ATOM 898 O ALA A 60 1.615 -5.913 4.351 1.00 0.00 O ATOM 899 CB ALA A 60 -1.355 -4.834 3.151 1.00 0.00 C ATOM 0 H ALA A 60 -1.641 -3.264 4.953 1.00 0.00 H new ATOM 0 HA ALA A 60 -0.821 -6.079 4.845 1.00 0.00 H new ATOM 0 HB1 ALA A 60 -1.054 -5.588 2.423 1.00 0.00 H new ATOM 0 HB2 ALA A 60 -2.431 -4.898 3.316 1.00 0.00 H new ATOM 0 HB3 ALA A 60 -1.104 -3.843 2.772 1.00 0.00 H new ATOM 905 N THR A 61 1.367 -3.745 4.115 1.00 0.00 N ATOM 906 CA THR A 61 2.837 -3.565 3.986 1.00 0.00 C ATOM 907 C THR A 61 3.438 -3.736 5.368 1.00 0.00 C ATOM 908 O THR A 61 4.479 -4.340 5.545 1.00 0.00 O ATOM 909 CB THR A 61 3.042 -2.141 3.481 1.00 0.00 C ATOM 910 OG1 THR A 61 4.433 -1.897 3.326 1.00 0.00 O ATOM 911 CG2 THR A 61 2.460 -1.141 4.481 1.00 0.00 C ATOM 0 H THR A 61 0.812 -2.891 4.056 1.00 0.00 H new ATOM 0 HA THR A 61 3.304 -4.278 3.307 1.00 0.00 H new ATOM 0 HB THR A 61 2.535 -2.023 2.524 1.00 0.00 H new ATOM 0 HG1 THR A 61 4.758 -1.365 4.082 1.00 0.00 H new ATOM 0 HG21 THR A 61 2.611 -0.127 4.111 1.00 0.00 H new ATOM 0 HG22 THR A 61 1.393 -1.327 4.603 1.00 0.00 H new ATOM 0 HG23 THR A 61 2.960 -1.255 5.443 1.00 0.00 H new ATOM 919 N ALA A 62 2.758 -3.233 6.358 1.00 0.00 N ATOM 920 CA ALA A 62 3.257 -3.392 7.740 1.00 0.00 C ATOM 921 C ALA A 62 3.346 -4.884 8.037 1.00 0.00 C ATOM 922 O ALA A 62 4.150 -5.329 8.831 1.00 0.00 O ATOM 923 CB ALA A 62 2.215 -2.715 8.629 1.00 0.00 C ATOM 0 H ALA A 62 1.881 -2.721 6.265 1.00 0.00 H new ATOM 0 HA ALA A 62 4.242 -2.953 7.902 1.00 0.00 H new ATOM 0 HB1 ALA A 62 2.520 -2.794 9.672 1.00 0.00 H new ATOM 0 HB2 ALA A 62 2.130 -1.664 8.354 1.00 0.00 H new ATOM 0 HB3 ALA A 62 1.250 -3.204 8.495 1.00 0.00 H new ATOM 929 N ASP A 63 2.529 -5.664 7.376 1.00 0.00 N ATOM 930 CA ASP A 63 2.574 -7.131 7.591 1.00 0.00 C ATOM 931 C ASP A 63 3.560 -7.753 6.603 1.00 0.00 C ATOM 932 O ASP A 63 4.055 -8.844 6.807 1.00 0.00 O ATOM 933 CB ASP A 63 1.151 -7.623 7.325 1.00 0.00 C ATOM 934 CG ASP A 63 1.120 -9.150 7.397 1.00 0.00 C ATOM 935 OD1 ASP A 63 1.744 -9.693 8.293 1.00 0.00 O ATOM 936 OD2 ASP A 63 0.473 -9.751 6.555 1.00 0.00 O ATOM 0 H ASP A 63 1.836 -5.344 6.699 1.00 0.00 H new ATOM 0 HA ASP A 63 2.902 -7.401 8.595 1.00 0.00 H new ATOM 0 HB2 ASP A 63 0.465 -7.199 8.058 1.00 0.00 H new ATOM 0 HB3 ASP A 63 0.816 -7.287 6.344 1.00 0.00 H new ATOM 941 N ALA A 64 3.869 -7.054 5.541 1.00 0.00 N ATOM 942 CA ALA A 64 4.842 -7.595 4.559 1.00 0.00 C ATOM 943 C ALA A 64 6.242 -7.480 5.151 1.00 0.00 C ATOM 944 O ALA A 64 7.180 -8.102 4.693 1.00 0.00 O ATOM 945 CB ALA A 64 4.698 -6.707 3.322 1.00 0.00 C ATOM 0 H ALA A 64 3.488 -6.135 5.316 1.00 0.00 H new ATOM 0 HA ALA A 64 4.669 -8.642 4.312 1.00 0.00 H new ATOM 0 HB1 ALA A 64 5.388 -7.045 2.549 1.00 0.00 H new ATOM 0 HB2 ALA A 64 3.676 -6.767 2.948 1.00 0.00 H new ATOM 0 HB3 ALA A 64 4.928 -5.675 3.586 1.00 0.00 H new ATOM 951 N GLY A 65 6.382 -6.682 6.174 1.00 0.00 N ATOM 952 CA GLY A 65 7.713 -6.516 6.810 1.00 0.00 C ATOM 953 C GLY A 65 8.216 -5.103 6.553 1.00 0.00 C ATOM 954 O GLY A 65 9.403 -4.854 6.519 1.00 0.00 O ATOM 0 H GLY A 65 5.629 -6.138 6.595 1.00 0.00 H new ATOM 0 HA2 GLY A 65 7.643 -6.701 7.882 1.00 0.00 H new ATOM 0 HA3 GLY A 65 8.416 -7.245 6.406 1.00 0.00 H new ATOM 958 N TYR A 66 7.318 -4.176 6.372 1.00 0.00 N ATOM 959 CA TYR A 66 7.741 -2.775 6.105 1.00 0.00 C ATOM 960 C TYR A 66 6.854 -1.790 6.875 1.00 0.00 C ATOM 961 O TYR A 66 5.776 -1.454 6.427 1.00 0.00 O ATOM 962 CB TYR A 66 7.555 -2.599 4.596 1.00 0.00 C ATOM 963 CG TYR A 66 8.263 -3.719 3.869 1.00 0.00 C ATOM 964 CD1 TYR A 66 9.605 -3.985 4.151 1.00 0.00 C ATOM 965 CD2 TYR A 66 7.581 -4.489 2.915 1.00 0.00 C ATOM 966 CE1 TYR A 66 10.271 -5.021 3.486 1.00 0.00 C ATOM 967 CE2 TYR A 66 8.247 -5.525 2.250 1.00 0.00 C ATOM 968 CZ TYR A 66 9.591 -5.791 2.535 1.00 0.00 C ATOM 969 OH TYR A 66 10.247 -6.812 1.878 1.00 0.00 O ATOM 0 H TYR A 66 6.310 -4.328 6.398 1.00 0.00 H new ATOM 0 HA TYR A 66 8.766 -2.583 6.422 1.00 0.00 H new ATOM 0 HB2 TYR A 66 6.494 -2.602 4.346 1.00 0.00 H new ATOM 0 HB3 TYR A 66 7.954 -1.635 4.279 1.00 0.00 H new ATOM 0 HD1 TYR A 66 10.130 -3.390 4.884 1.00 0.00 H new ATOM 0 HD2 TYR A 66 6.544 -4.283 2.694 1.00 0.00 H new ATOM 0 HE1 TYR A 66 11.308 -5.226 3.706 1.00 0.00 H new ATOM 0 HE2 TYR A 66 7.723 -6.120 1.516 1.00 0.00 H new ATOM 0 HH TYR A 66 11.075 -6.468 1.482 1.00 0.00 H new ATOM 979 N PRO A 67 7.339 -1.345 8.010 1.00 0.00 N ATOM 980 CA PRO A 67 6.575 -0.380 8.832 1.00 0.00 C ATOM 981 C PRO A 67 6.231 0.846 7.987 1.00 0.00 C ATOM 982 O PRO A 67 7.037 1.738 7.810 1.00 0.00 O ATOM 983 CB PRO A 67 7.563 -0.034 9.951 1.00 0.00 C ATOM 984 CG PRO A 67 8.830 -0.894 9.773 1.00 0.00 C ATOM 985 CD PRO A 67 8.660 -1.770 8.523 1.00 0.00 C ATOM 0 HA PRO A 67 5.628 -0.761 9.215 1.00 0.00 H new ATOM 0 HB2 PRO A 67 7.817 1.025 9.917 1.00 0.00 H new ATOM 0 HB3 PRO A 67 7.112 -0.222 10.925 1.00 0.00 H new ATOM 0 HG2 PRO A 67 9.708 -0.256 9.671 1.00 0.00 H new ATOM 0 HG3 PRO A 67 8.990 -1.518 10.652 1.00 0.00 H new ATOM 0 HD2 PRO A 67 9.453 -1.596 7.795 1.00 0.00 H new ATOM 0 HD3 PRO A 67 8.678 -2.832 8.767 1.00 0.00 H new ATOM 993 N SER A 68 5.049 0.883 7.441 1.00 0.00 N ATOM 994 CA SER A 68 4.669 2.039 6.580 1.00 0.00 C ATOM 995 C SER A 68 3.632 2.933 7.265 1.00 0.00 C ATOM 996 O SER A 68 3.369 2.821 8.446 1.00 0.00 O ATOM 997 CB SER A 68 4.068 1.405 5.327 1.00 0.00 C ATOM 998 OG SER A 68 2.650 1.510 5.379 1.00 0.00 O ATOM 0 H SER A 68 4.331 0.167 7.552 1.00 0.00 H new ATOM 0 HA SER A 68 5.527 2.677 6.365 1.00 0.00 H new ATOM 0 HB2 SER A 68 4.448 1.904 4.435 1.00 0.00 H new ATOM 0 HB3 SER A 68 4.364 0.358 5.258 1.00 0.00 H new ATOM 0 HG SER A 68 2.314 1.838 4.519 1.00 0.00 H new ATOM 1004 N SER A 69 3.043 3.817 6.508 1.00 0.00 N ATOM 1005 CA SER A 69 2.014 4.738 7.052 1.00 0.00 C ATOM 1006 C SER A 69 1.140 5.195 5.892 1.00 0.00 C ATOM 1007 O SER A 69 1.250 4.685 4.798 1.00 0.00 O ATOM 1008 CB SER A 69 2.790 5.912 7.649 1.00 0.00 C ATOM 1009 OG SER A 69 2.714 5.852 9.067 1.00 0.00 O ATOM 0 H SER A 69 3.238 3.940 5.514 1.00 0.00 H new ATOM 0 HA SER A 69 1.373 4.281 7.806 1.00 0.00 H new ATOM 0 HB2 SER A 69 3.831 5.876 7.327 1.00 0.00 H new ATOM 0 HB3 SER A 69 2.378 6.855 7.291 1.00 0.00 H new ATOM 0 HG SER A 69 2.896 4.937 9.366 1.00 0.00 H new ATOM 1015 N VAL A 70 0.265 6.125 6.100 1.00 0.00 N ATOM 1016 CA VAL A 70 -0.601 6.554 4.973 1.00 0.00 C ATOM 1017 C VAL A 70 -0.675 8.074 4.874 1.00 0.00 C ATOM 1018 O VAL A 70 -0.348 8.784 5.804 1.00 0.00 O ATOM 1019 CB VAL A 70 -1.948 5.946 5.321 1.00 0.00 C ATOM 1020 CG1 VAL A 70 -2.617 6.771 6.422 1.00 0.00 C ATOM 1021 CG2 VAL A 70 -2.842 5.920 4.081 1.00 0.00 C ATOM 0 H VAL A 70 0.109 6.604 6.987 1.00 0.00 H new ATOM 0 HA VAL A 70 -0.230 6.230 4.001 1.00 0.00 H new ATOM 0 HB VAL A 70 -1.799 4.926 5.675 1.00 0.00 H new ATOM 0 HG11 VAL A 70 -3.584 6.332 6.669 1.00 0.00 H new ATOM 0 HG12 VAL A 70 -1.983 6.776 7.309 1.00 0.00 H new ATOM 0 HG13 VAL A 70 -2.762 7.794 6.073 1.00 0.00 H new ATOM 0 HG21 VAL A 70 -3.807 5.483 4.337 1.00 0.00 H new ATOM 0 HG22 VAL A 70 -2.990 6.937 3.717 1.00 0.00 H new ATOM 0 HG23 VAL A 70 -2.368 5.322 3.303 1.00 0.00 H new ATOM 1031 N LYS A 71 -1.087 8.583 3.742 1.00 0.00 N ATOM 1032 CA LYS A 71 -1.154 10.070 3.601 1.00 0.00 C ATOM 1033 C LYS A 71 -2.291 10.500 2.672 1.00 0.00 C ATOM 1034 O LYS A 71 -2.084 11.224 1.718 1.00 0.00 O ATOM 1035 CB LYS A 71 0.194 10.465 3.003 1.00 0.00 C ATOM 1036 CG LYS A 71 0.285 9.929 1.576 1.00 0.00 C ATOM 1037 CD LYS A 71 1.712 9.464 1.295 1.00 0.00 C ATOM 1038 CE LYS A 71 2.324 10.330 0.191 1.00 0.00 C ATOM 1039 NZ LYS A 71 2.989 11.454 0.908 1.00 0.00 N ATOM 0 H LYS A 71 -1.375 8.047 2.923 1.00 0.00 H new ATOM 0 HA LYS A 71 -1.350 10.552 4.559 1.00 0.00 H new ATOM 0 HB2 LYS A 71 0.303 11.550 3.005 1.00 0.00 H new ATOM 0 HB3 LYS A 71 1.006 10.062 3.608 1.00 0.00 H new ATOM 0 HG2 LYS A 71 -0.411 9.101 1.442 1.00 0.00 H new ATOM 0 HG3 LYS A 71 -0.002 10.705 0.866 1.00 0.00 H new ATOM 0 HD2 LYS A 71 2.313 9.533 2.201 1.00 0.00 H new ATOM 0 HD3 LYS A 71 1.711 8.417 0.992 1.00 0.00 H new ATOM 0 HE2 LYS A 71 3.040 9.763 -0.404 1.00 0.00 H new ATOM 0 HE3 LYS A 71 1.559 10.696 -0.494 1.00 0.00 H new ATOM 0 HZ1 LYS A 71 3.433 12.092 0.217 1.00 0.00 H new ATOM 0 HZ2 LYS A 71 2.282 11.980 1.461 1.00 0.00 H new ATOM 0 HZ3 LYS A 71 3.717 11.076 1.547 1.00 0.00 H new ATOM 1053 N GLN A 72 -3.490 10.077 2.946 1.00 0.00 N ATOM 1054 CA GLN A 72 -4.632 10.480 2.085 1.00 0.00 C ATOM 1055 C GLN A 72 -5.951 10.002 2.697 1.00 0.00 C ATOM 1056 O GLN A 72 -6.629 10.816 3.303 1.00 0.00 O ATOM 1057 CB GLN A 72 -4.382 9.788 0.753 1.00 0.00 C ATOM 1058 CG GLN A 72 -5.633 9.915 -0.106 1.00 0.00 C ATOM 1059 CD GLN A 72 -5.248 10.357 -1.519 1.00 0.00 C ATOM 1060 OE1 GLN A 72 -4.091 10.004 -2.010 1.00 0.00 O flip ATOM 1061 NE2 GLN A 72 -6.008 11.032 -2.184 1.00 0.00 N flip ATOM 1062 OXT GLN A 72 -6.260 8.831 2.550 1.00 0.00 O ATOM 0 H GLN A 72 -3.729 9.469 3.729 1.00 0.00 H new ATOM 0 HA GLN A 72 -4.706 11.562 1.977 1.00 0.00 H new ATOM 0 HB2 GLN A 72 -3.529 10.240 0.247 1.00 0.00 H new ATOM 0 HB3 GLN A 72 -4.138 8.738 0.913 1.00 0.00 H new ATOM 0 HG2 GLN A 72 -6.158 8.960 -0.144 1.00 0.00 H new ATOM 0 HG3 GLN A 72 -6.318 10.638 0.337 1.00 0.00 H new ATOM 0 HE21 GLN A 72 -6.912 11.308 -1.802 1.00 0.00 H new ATOM 0 HE22 GLN A 72 -5.742 11.322 -3.125 1.00 0.00 H new TER 1071 GLN A 72 HETATM 1072 HG HG A 73 14.924 -3.916 -0.335 1.00 0.00 HG