USER MOD reduce.3.24.130724 H: found=0, std=0, add=550, rem=0, adj=22 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 17 CYS SG : rot -21:sc= -0.881! USER MOD Set 1.2: A 20 THR OG1 : rot -90:sc= -3.35! USER MOD Set 1.3: A 66 TYR OH : rot 120:sc= -0.0235 USER MOD Set 2.1: A 4 THR OG1 : rot -109:sc= 0.996 USER MOD Set 2.2: A 46 THR OG1 : rot 101:sc= -2.27! USER MOD Single : A 1 ALA N :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 2 THR OG1 : rot 180:sc= 0 USER MOD Single : A 3 GLN : amide:sc= -0.239 K(o=-0.24,f=-1.2!) USER MOD Single : A 6 THR OG1 : rot -157:sc= -4.22! USER MOD Single : A 12 MET CE :methyl -104:sc= -6.02! (180deg=-10.7!) USER MOD Single : A 13 THR OG1 : rot -6:sc= 1.06 USER MOD Single : A 14 CYS SG : rot 180:sc= -1.49! 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 -47:sc= 1.04 USER MOD Single : A 27 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 32 SER OG : rot 180:sc= 0 USER MOD Single : A 33 LYS NZ :NH3+ -156:sc= -0.0481 (180deg=-1.05) USER MOD Single : A 40 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 50 THR OG1 : rot 180:sc= 0.124 USER MOD Single : A 51 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 53 SER OG : rot 180:sc= 0 USER MOD Single : A 55 GLN : amide:sc= -0.0112 K(o=-0.011,f=-0.59) USER MOD Single : A 56 LYS NZ :NH3+ -143:sc=-0.00754 (180deg=-0.236) USER MOD Single : A 58 THR OG1 : rot 121:sc= -1.69! USER MOD Single : A 59 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 61 THR OG1 : rot -170:sc= -3.35! USER MOD Single : A 68 SER OG : rot -111:sc= -7.58! USER MOD Single : A 69 SER OG : rot 180:sc= -0.125 USER MOD Single : A 71 LYS NZ :NH3+ -144:sc= -1.52 (180deg=-2.05!) USER MOD Single : A 72 GLN :FLIP amide:sc= -1.41 F(o=-1.9,f=-1.4) USER MOD ----------------------------------------------------------------- ATOM 1 N ALA A 1 18.357 1.926 0.226 1.00 0.00 N ATOM 2 CA ALA A 1 17.028 1.642 -0.389 1.00 0.00 C ATOM 3 C ALA A 1 15.922 1.812 0.652 1.00 0.00 C ATOM 4 O ALA A 1 15.612 0.903 1.385 1.00 0.00 O ATOM 5 CB ALA A 1 17.107 0.187 -0.846 1.00 0.00 C ATOM 0 H1 ALA A 1 19.103 1.808 -0.489 1.00 0.00 H new ATOM 0 H2 ALA A 1 18.372 2.902 0.584 1.00 0.00 H new ATOM 0 H3 ALA A 1 18.524 1.266 1.012 1.00 0.00 H new ATOM 0 HA ALA A 1 16.801 2.318 -1.213 1.00 0.00 H new ATOM 0 HB1 ALA A 1 16.164 -0.100 -1.311 1.00 0.00 H new ATOM 0 HB2 ALA A 1 17.916 0.076 -1.568 1.00 0.00 H new ATOM 0 HB3 ALA A 1 17.297 -0.455 0.014 1.00 0.00 H new ATOM 13 N THR A 2 15.322 2.969 0.709 1.00 0.00 N ATOM 14 CA THR A 2 14.241 3.224 1.677 1.00 0.00 C ATOM 15 C THR A 2 13.314 4.266 1.068 1.00 0.00 C ATOM 16 O THR A 2 13.507 5.455 1.227 1.00 0.00 O ATOM 17 CB THR A 2 14.930 3.790 2.905 1.00 0.00 C ATOM 18 OG1 THR A 2 16.246 4.206 2.567 1.00 0.00 O ATOM 19 CG2 THR A 2 14.991 2.723 3.995 1.00 0.00 C ATOM 0 H THR A 2 15.548 3.761 0.107 1.00 0.00 H new ATOM 0 HA THR A 2 13.660 2.336 1.926 1.00 0.00 H new ATOM 0 HB THR A 2 14.366 4.648 3.272 1.00 0.00 H new ATOM 0 HG1 THR A 2 16.687 4.572 3.362 1.00 0.00 H new ATOM 0 HG21 THR A 2 15.486 3.131 4.876 1.00 0.00 H new ATOM 0 HG22 THR A 2 13.980 2.413 4.258 1.00 0.00 H new ATOM 0 HG23 THR A 2 15.551 1.862 3.630 1.00 0.00 H new ATOM 27 N GLN A 3 12.340 3.834 0.335 1.00 0.00 N ATOM 28 CA GLN A 3 11.434 4.812 -0.329 1.00 0.00 C ATOM 29 C GLN A 3 10.016 4.732 0.229 1.00 0.00 C ATOM 30 O GLN A 3 9.584 3.714 0.733 1.00 0.00 O ATOM 31 CB GLN A 3 11.442 4.421 -1.810 1.00 0.00 C ATOM 32 CG GLN A 3 12.873 4.120 -2.267 1.00 0.00 C ATOM 33 CD GLN A 3 13.315 5.173 -3.285 1.00 0.00 C ATOM 34 OE1 GLN A 3 12.516 5.656 -4.063 1.00 0.00 O ATOM 35 NE2 GLN A 3 14.564 5.553 -3.313 1.00 0.00 N ATOM 0 H GLN A 3 12.127 2.852 0.163 1.00 0.00 H new ATOM 0 HA GLN A 3 11.769 5.836 -0.164 1.00 0.00 H new ATOM 0 HB2 GLN A 3 10.810 3.547 -1.967 1.00 0.00 H new ATOM 0 HB3 GLN A 3 11.023 5.229 -2.410 1.00 0.00 H new ATOM 0 HG2 GLN A 3 13.547 4.121 -1.411 1.00 0.00 H new ATOM 0 HG3 GLN A 3 12.923 3.126 -2.711 1.00 0.00 H new ATOM 0 HE21 GLN A 3 15.235 5.148 -2.660 1.00 0.00 H new ATOM 0 HE22 GLN A 3 14.869 6.255 -3.988 1.00 0.00 H new ATOM 44 N THR A 4 9.288 5.809 0.127 1.00 0.00 N ATOM 45 CA THR A 4 7.889 5.826 0.629 1.00 0.00 C ATOM 46 C THR A 4 6.955 6.322 -0.476 1.00 0.00 C ATOM 47 O THR A 4 7.380 6.954 -1.425 1.00 0.00 O ATOM 48 CB THR A 4 7.901 6.804 1.807 1.00 0.00 C ATOM 49 OG1 THR A 4 8.989 6.493 2.665 1.00 0.00 O ATOM 50 CG2 THR A 4 6.590 6.690 2.585 1.00 0.00 C ATOM 0 H THR A 4 9.607 6.685 -0.287 1.00 0.00 H new ATOM 0 HA THR A 4 7.538 4.839 0.931 1.00 0.00 H new ATOM 0 HB THR A 4 8.009 7.822 1.432 1.00 0.00 H new ATOM 0 HG1 THR A 4 8.648 6.110 3.500 1.00 0.00 H new ATOM 0 HG21 THR A 4 6.602 7.387 3.423 1.00 0.00 H new ATOM 0 HG22 THR A 4 5.754 6.928 1.927 1.00 0.00 H new ATOM 0 HG23 THR A 4 6.477 5.673 2.961 1.00 0.00 H new ATOM 58 N VAL A 5 5.691 6.039 -0.364 1.00 0.00 N ATOM 59 CA VAL A 5 4.726 6.488 -1.408 1.00 0.00 C ATOM 60 C VAL A 5 3.303 6.323 -0.899 1.00 0.00 C ATOM 61 O VAL A 5 3.053 5.730 0.131 1.00 0.00 O ATOM 62 CB VAL A 5 4.982 5.595 -2.635 1.00 0.00 C ATOM 63 CG1 VAL A 5 5.424 4.196 -2.197 1.00 0.00 C ATOM 64 CG2 VAL A 5 3.710 5.475 -3.482 1.00 0.00 C ATOM 0 H VAL A 5 5.280 5.514 0.408 1.00 0.00 H new ATOM 0 HA VAL A 5 4.856 7.540 -1.661 1.00 0.00 H new ATOM 0 HB VAL A 5 5.772 6.055 -3.228 1.00 0.00 H new ATOM 0 HG11 VAL A 5 5.601 3.578 -3.077 1.00 0.00 H new ATOM 0 HG12 VAL A 5 6.343 4.270 -1.615 1.00 0.00 H new ATOM 0 HG13 VAL A 5 4.644 3.743 -1.586 1.00 0.00 H new ATOM 0 HG21 VAL A 5 3.907 4.840 -4.346 1.00 0.00 H new ATOM 0 HG22 VAL A 5 2.914 5.034 -2.882 1.00 0.00 H new ATOM 0 HG23 VAL A 5 3.404 6.465 -3.821 1.00 0.00 H new ATOM 74 N THR A 6 2.376 6.846 -1.628 1.00 0.00 N ATOM 75 CA THR A 6 0.959 6.739 -1.232 1.00 0.00 C ATOM 76 C THR A 6 0.259 5.785 -2.188 1.00 0.00 C ATOM 77 O THR A 6 0.771 5.479 -3.244 1.00 0.00 O ATOM 78 CB THR A 6 0.422 8.154 -1.385 1.00 0.00 C ATOM 79 OG1 THR A 6 1.137 8.817 -2.420 1.00 0.00 O ATOM 80 CG2 THR A 6 0.608 8.910 -0.073 1.00 0.00 C ATOM 0 H THR A 6 2.542 7.353 -2.498 1.00 0.00 H new ATOM 0 HA THR A 6 0.810 6.359 -0.222 1.00 0.00 H new ATOM 0 HB THR A 6 -0.638 8.120 -1.637 1.00 0.00 H new ATOM 0 HG1 THR A 6 1.074 9.787 -2.292 1.00 0.00 H new ATOM 0 HG21 THR A 6 0.224 9.924 -0.180 1.00 0.00 H new ATOM 0 HG22 THR A 6 0.065 8.398 0.722 1.00 0.00 H new ATOM 0 HG23 THR A 6 1.668 8.948 0.178 1.00 0.00 H new ATOM 88 N LEU A 7 -0.895 5.300 -1.840 1.00 0.00 N ATOM 89 CA LEU A 7 -1.582 4.353 -2.753 1.00 0.00 C ATOM 90 C LEU A 7 -3.068 4.687 -2.884 1.00 0.00 C ATOM 91 O LEU A 7 -3.716 5.101 -1.943 1.00 0.00 O ATOM 92 CB LEU A 7 -1.392 2.978 -2.106 1.00 0.00 C ATOM 93 CG LEU A 7 -0.472 2.132 -2.984 1.00 0.00 C ATOM 94 CD1 LEU A 7 0.775 2.930 -3.331 1.00 0.00 C ATOM 95 CD2 LEU A 7 -0.056 0.858 -2.242 1.00 0.00 C ATOM 0 H LEU A 7 -1.388 5.515 -0.973 1.00 0.00 H new ATOM 0 HA LEU A 7 -1.174 4.397 -3.763 1.00 0.00 H new ATOM 0 HB2 LEU A 7 -0.964 3.088 -1.110 1.00 0.00 H new ATOM 0 HB3 LEU A 7 -2.356 2.483 -1.986 1.00 0.00 H new ATOM 0 HG LEU A 7 -1.008 1.862 -3.894 1.00 0.00 H new ATOM 0 HD11 LEU A 7 1.431 2.326 -3.958 1.00 0.00 H new ATOM 0 HD12 LEU A 7 0.490 3.834 -3.870 1.00 0.00 H new ATOM 0 HD13 LEU A 7 1.299 3.203 -2.415 1.00 0.00 H new ATOM 0 HD21 LEU A 7 0.600 0.264 -2.879 1.00 0.00 H new ATOM 0 HD22 LEU A 7 0.472 1.126 -1.327 1.00 0.00 H new ATOM 0 HD23 LEU A 7 -0.943 0.277 -1.992 1.00 0.00 H new ATOM 107 N ALA A 8 -3.607 4.495 -4.054 1.00 0.00 N ATOM 108 CA ALA A 8 -5.059 4.780 -4.279 1.00 0.00 C ATOM 109 C ALA A 8 -5.797 3.471 -4.572 1.00 0.00 C ATOM 110 O ALA A 8 -5.752 2.959 -5.672 1.00 0.00 O ATOM 111 CB ALA A 8 -5.099 5.703 -5.498 1.00 0.00 C ATOM 0 H ALA A 8 -3.105 4.151 -4.872 1.00 0.00 H new ATOM 0 HA ALA A 8 -5.537 5.237 -3.412 1.00 0.00 H new ATOM 0 HB1 ALA A 8 -6.134 5.958 -5.727 1.00 0.00 H new ATOM 0 HB2 ALA A 8 -4.540 6.614 -5.283 1.00 0.00 H new ATOM 0 HB3 ALA A 8 -4.652 5.196 -6.353 1.00 0.00 H new ATOM 117 N VAL A 9 -6.455 2.908 -3.593 1.00 0.00 N ATOM 118 CA VAL A 9 -7.164 1.612 -3.828 1.00 0.00 C ATOM 119 C VAL A 9 -8.691 1.776 -3.783 1.00 0.00 C ATOM 120 O VAL A 9 -9.303 1.549 -2.759 1.00 0.00 O ATOM 121 CB VAL A 9 -6.701 0.707 -2.689 1.00 0.00 C ATOM 122 CG1 VAL A 9 -6.964 1.396 -1.348 1.00 0.00 C ATOM 123 CG2 VAL A 9 -7.475 -0.608 -2.753 1.00 0.00 C ATOM 0 H VAL A 9 -6.533 3.284 -2.648 1.00 0.00 H new ATOM 0 HA VAL A 9 -6.935 1.210 -4.815 1.00 0.00 H new ATOM 0 HB VAL A 9 -5.633 0.509 -2.785 1.00 0.00 H new ATOM 0 HG11 VAL A 9 -6.633 0.749 -0.536 1.00 0.00 H new ATOM 0 HG12 VAL A 9 -6.416 2.337 -1.309 1.00 0.00 H new ATOM 0 HG13 VAL A 9 -8.031 1.593 -1.243 1.00 0.00 H new ATOM 0 HG21 VAL A 9 -7.151 -1.261 -1.943 1.00 0.00 H new ATOM 0 HG22 VAL A 9 -8.542 -0.408 -2.653 1.00 0.00 H new ATOM 0 HG23 VAL A 9 -7.286 -1.095 -3.709 1.00 0.00 H new ATOM 133 N PRO A 10 -9.263 2.144 -4.905 1.00 0.00 N ATOM 134 CA PRO A 10 -10.735 2.320 -4.994 1.00 0.00 C ATOM 135 C PRO A 10 -11.465 0.986 -4.782 1.00 0.00 C ATOM 136 O PRO A 10 -12.677 0.941 -4.699 1.00 0.00 O ATOM 137 CB PRO A 10 -10.927 2.822 -6.428 1.00 0.00 C ATOM 138 CG PRO A 10 -9.565 2.795 -7.147 1.00 0.00 C ATOM 139 CD PRO A 10 -8.479 2.408 -6.135 1.00 0.00 C ATOM 0 HA PRO A 10 -11.135 2.996 -4.238 1.00 0.00 H new ATOM 0 HB2 PRO A 10 -11.645 2.194 -6.955 1.00 0.00 H new ATOM 0 HB3 PRO A 10 -11.332 3.834 -6.423 1.00 0.00 H new ATOM 0 HG2 PRO A 10 -9.587 2.080 -7.969 1.00 0.00 H new ATOM 0 HG3 PRO A 10 -9.347 3.772 -7.579 1.00 0.00 H new ATOM 0 HD2 PRO A 10 -7.920 1.529 -6.456 1.00 0.00 H new ATOM 0 HD3 PRO A 10 -7.755 3.210 -5.990 1.00 0.00 H new ATOM 147 N GLY A 11 -10.743 -0.101 -4.687 1.00 0.00 N ATOM 148 CA GLY A 11 -11.407 -1.420 -4.477 1.00 0.00 C ATOM 149 C GLY A 11 -11.865 -1.537 -3.021 1.00 0.00 C ATOM 150 O GLY A 11 -12.397 -2.547 -2.607 1.00 0.00 O ATOM 0 H GLY A 11 -9.725 -0.131 -4.746 1.00 0.00 H new ATOM 0 HA2 GLY A 11 -12.261 -1.519 -5.147 1.00 0.00 H new ATOM 0 HA3 GLY A 11 -10.717 -2.229 -4.718 1.00 0.00 H new ATOM 154 N MET A 12 -11.658 -0.512 -2.241 1.00 0.00 N ATOM 155 CA MET A 12 -12.075 -0.560 -0.812 1.00 0.00 C ATOM 156 C MET A 12 -13.410 0.161 -0.616 1.00 0.00 C ATOM 157 O MET A 12 -13.932 0.777 -1.524 1.00 0.00 O ATOM 158 CB MET A 12 -10.965 0.167 -0.057 1.00 0.00 C ATOM 159 CG MET A 12 -10.941 1.643 -0.461 1.00 0.00 C ATOM 160 SD MET A 12 -12.115 2.569 0.559 1.00 0.00 S ATOM 161 CE MET A 12 -13.119 3.231 -0.793 1.00 0.00 C ATOM 0 H MET A 12 -11.216 0.360 -2.533 1.00 0.00 H new ATOM 0 HA MET A 12 -12.215 -1.582 -0.461 1.00 0.00 H new ATOM 0 HB2 MET A 12 -11.125 0.078 1.017 1.00 0.00 H new ATOM 0 HB3 MET A 12 -10.002 -0.295 -0.275 1.00 0.00 H new ATOM 0 HG2 MET A 12 -9.937 2.048 -0.337 1.00 0.00 H new ATOM 0 HG3 MET A 12 -11.199 1.746 -1.515 1.00 0.00 H new ATOM 0 HE1 MET A 12 -12.874 4.282 -0.947 1.00 0.00 H new ATOM 0 HE2 MET A 12 -12.913 2.673 -1.706 1.00 0.00 H new ATOM 0 HE3 MET A 12 -14.175 3.137 -0.541 1.00 0.00 H new ATOM 171 N THR A 13 -13.964 0.093 0.566 1.00 0.00 N ATOM 172 CA THR A 13 -15.267 0.788 0.808 1.00 0.00 C ATOM 173 C THR A 13 -15.777 0.627 2.258 1.00 0.00 C ATOM 174 O THR A 13 -16.930 0.900 2.530 1.00 0.00 O ATOM 175 CB THR A 13 -16.240 0.126 -0.168 1.00 0.00 C ATOM 176 OG1 THR A 13 -17.557 0.589 0.096 1.00 0.00 O ATOM 177 CG2 THR A 13 -16.187 -1.393 0.001 1.00 0.00 C ATOM 0 H THR A 13 -13.578 -0.407 1.367 1.00 0.00 H new ATOM 0 HA THR A 13 -15.164 1.863 0.660 1.00 0.00 H new ATOM 0 HB THR A 13 -15.960 0.382 -1.190 1.00 0.00 H new ATOM 0 HG1 THR A 13 -17.551 1.153 0.897 1.00 0.00 H new ATOM 0 HG21 THR A 13 -16.882 -1.861 -0.696 1.00 0.00 H new ATOM 0 HG22 THR A 13 -15.176 -1.747 -0.202 1.00 0.00 H new ATOM 0 HG23 THR A 13 -16.465 -1.655 1.022 1.00 0.00 H new ATOM 185 N CYS A 14 -14.955 0.214 3.196 1.00 0.00 N ATOM 186 CA CYS A 14 -15.448 0.076 4.603 1.00 0.00 C ATOM 187 C CYS A 14 -14.318 -0.428 5.514 1.00 0.00 C ATOM 188 O CYS A 14 -13.156 -0.349 5.172 1.00 0.00 O ATOM 189 CB CYS A 14 -16.637 -0.911 4.525 1.00 0.00 C ATOM 190 SG CYS A 14 -16.146 -2.604 4.967 1.00 0.00 S ATOM 0 H CYS A 14 -13.976 -0.031 3.050 1.00 0.00 H new ATOM 0 HA CYS A 14 -15.769 1.024 5.034 1.00 0.00 H new ATOM 0 HB2 CYS A 14 -17.430 -0.577 5.194 1.00 0.00 H new ATOM 0 HB3 CYS A 14 -17.048 -0.905 3.515 1.00 0.00 H new ATOM 0 HG CYS A 14 -17.178 -3.390 4.888 1.00 0.00 H new ATOM 195 N ALA A 15 -14.647 -0.938 6.671 1.00 0.00 N ATOM 196 CA ALA A 15 -13.588 -1.441 7.595 1.00 0.00 C ATOM 197 C ALA A 15 -13.214 -2.885 7.239 1.00 0.00 C ATOM 198 O ALA A 15 -13.223 -3.764 8.078 1.00 0.00 O ATOM 199 CB ALA A 15 -14.215 -1.375 8.989 1.00 0.00 C ATOM 0 H ALA A 15 -15.603 -1.028 7.016 1.00 0.00 H new ATOM 0 HA ALA A 15 -12.672 -0.853 7.532 1.00 0.00 H new ATOM 0 HB1 ALA A 15 -13.497 -1.730 9.728 1.00 0.00 H new ATOM 0 HB2 ALA A 15 -14.490 -0.345 9.216 1.00 0.00 H new ATOM 0 HB3 ALA A 15 -15.105 -2.003 9.018 1.00 0.00 H new ATOM 205 N ALA A 16 -12.885 -3.133 6.000 1.00 0.00 N ATOM 206 CA ALA A 16 -12.509 -4.520 5.588 1.00 0.00 C ATOM 207 C ALA A 16 -11.989 -4.548 4.141 1.00 0.00 C ATOM 208 O ALA A 16 -12.022 -5.571 3.485 1.00 0.00 O ATOM 209 CB ALA A 16 -13.805 -5.321 5.701 1.00 0.00 C ATOM 0 H ALA A 16 -12.860 -2.437 5.255 1.00 0.00 H new ATOM 0 HA ALA A 16 -11.709 -4.924 6.209 1.00 0.00 H new ATOM 0 HB1 ALA A 16 -13.619 -6.356 5.415 1.00 0.00 H new ATOM 0 HB2 ALA A 16 -14.165 -5.287 6.729 1.00 0.00 H new ATOM 0 HB3 ALA A 16 -14.557 -4.892 5.039 1.00 0.00 H new ATOM 215 N CYS A 17 -11.489 -3.444 3.653 1.00 0.00 N ATOM 216 CA CYS A 17 -10.944 -3.403 2.258 1.00 0.00 C ATOM 217 C CYS A 17 -9.848 -2.323 2.110 1.00 0.00 C ATOM 218 O CYS A 17 -8.783 -2.633 1.616 1.00 0.00 O ATOM 219 CB CYS A 17 -12.122 -3.117 1.308 1.00 0.00 C ATOM 220 SG CYS A 17 -13.462 -4.300 1.580 1.00 0.00 S ATOM 0 H CYS A 17 -11.433 -2.562 4.162 1.00 0.00 H new ATOM 0 HA CYS A 17 -10.477 -4.357 2.015 1.00 0.00 H new ATOM 0 HB2 CYS A 17 -12.487 -2.103 1.468 1.00 0.00 H new ATOM 0 HB3 CYS A 17 -11.784 -3.174 0.273 1.00 0.00 H new ATOM 0 HG CYS A 17 -12.991 -5.364 2.160 1.00 0.00 H new ATOM 225 N PRO A 18 -10.100 -1.086 2.528 1.00 0.00 N ATOM 226 CA PRO A 18 -9.054 -0.045 2.391 1.00 0.00 C ATOM 227 C PRO A 18 -7.982 -0.304 3.442 1.00 0.00 C ATOM 228 O PRO A 18 -6.806 -0.376 3.149 1.00 0.00 O ATOM 229 CB PRO A 18 -9.821 1.245 2.675 1.00 0.00 C ATOM 230 CG PRO A 18 -11.186 0.869 3.279 1.00 0.00 C ATOM 231 CD PRO A 18 -11.380 -0.648 3.151 1.00 0.00 C ATOM 0 HA PRO A 18 -8.551 -0.017 1.425 1.00 0.00 H new ATOM 0 HB2 PRO A 18 -9.261 1.876 3.365 1.00 0.00 H new ATOM 0 HB3 PRO A 18 -9.956 1.817 1.757 1.00 0.00 H new ATOM 0 HG2 PRO A 18 -11.231 1.169 4.326 1.00 0.00 H new ATOM 0 HG3 PRO A 18 -11.987 1.397 2.761 1.00 0.00 H new ATOM 0 HD2 PRO A 18 -11.542 -1.120 4.120 1.00 0.00 H new ATOM 0 HD3 PRO A 18 -12.240 -0.896 2.529 1.00 0.00 H new ATOM 239 N ILE A 19 -8.395 -0.474 4.665 1.00 0.00 N ATOM 240 CA ILE A 19 -7.419 -0.775 5.748 1.00 0.00 C ATOM 241 C ILE A 19 -6.792 -2.158 5.478 1.00 0.00 C ATOM 242 O ILE A 19 -5.673 -2.451 5.879 1.00 0.00 O ATOM 243 CB ILE A 19 -8.269 -0.766 7.027 1.00 0.00 C ATOM 244 CG1 ILE A 19 -8.242 0.636 7.639 1.00 0.00 C ATOM 245 CG2 ILE A 19 -7.724 -1.773 8.042 1.00 0.00 C ATOM 246 CD1 ILE A 19 -9.208 0.695 8.824 1.00 0.00 C ATOM 0 H ILE A 19 -9.369 -0.417 4.963 1.00 0.00 H new ATOM 0 HA ILE A 19 -6.594 -0.067 5.820 1.00 0.00 H new ATOM 0 HB ILE A 19 -9.292 -1.044 6.773 1.00 0.00 H new ATOM 0 HG12 ILE A 19 -7.232 0.882 7.967 1.00 0.00 H new ATOM 0 HG13 ILE A 19 -8.523 1.377 6.890 1.00 0.00 H new ATOM 0 HG21 ILE A 19 -8.339 -1.752 8.942 1.00 0.00 H new ATOM 0 HG22 ILE A 19 -7.747 -2.773 7.610 1.00 0.00 H new ATOM 0 HG23 ILE A 19 -6.697 -1.512 8.299 1.00 0.00 H new ATOM 0 HD11 ILE A 19 -9.189 1.694 9.260 1.00 0.00 H new ATOM 0 HD12 ILE A 19 -10.218 0.468 8.482 1.00 0.00 H new ATOM 0 HD13 ILE A 19 -8.907 -0.035 9.576 1.00 0.00 H new ATOM 258 N THR A 20 -7.500 -3.000 4.769 1.00 0.00 N ATOM 259 CA THR A 20 -6.953 -4.343 4.441 1.00 0.00 C ATOM 260 C THR A 20 -5.711 -4.147 3.589 1.00 0.00 C ATOM 261 O THR A 20 -4.822 -4.977 3.543 1.00 0.00 O ATOM 262 CB THR A 20 -8.055 -5.039 3.639 1.00 0.00 C ATOM 263 OG1 THR A 20 -9.320 -4.719 4.202 1.00 0.00 O ATOM 264 CG2 THR A 20 -7.844 -6.554 3.681 1.00 0.00 C ATOM 0 H THR A 20 -8.434 -2.812 4.405 1.00 0.00 H new ATOM 0 HA THR A 20 -6.679 -4.929 5.318 1.00 0.00 H new ATOM 0 HB THR A 20 -8.020 -4.700 2.604 1.00 0.00 H new ATOM 0 HG1 THR A 20 -9.551 -5.382 4.885 1.00 0.00 H new ATOM 0 HG21 THR A 20 -8.630 -7.047 3.109 1.00 0.00 H new ATOM 0 HG22 THR A 20 -6.874 -6.798 3.249 1.00 0.00 H new ATOM 0 HG23 THR A 20 -7.878 -6.898 4.715 1.00 0.00 H new ATOM 272 N VAL A 21 -5.641 -3.026 2.930 1.00 0.00 N ATOM 273 CA VAL A 21 -4.463 -2.728 2.095 1.00 0.00 C ATOM 274 C VAL A 21 -3.296 -2.411 3.016 1.00 0.00 C ATOM 275 O VAL A 21 -2.160 -2.724 2.731 1.00 0.00 O ATOM 276 CB VAL A 21 -4.846 -1.498 1.274 1.00 0.00 C ATOM 277 CG1 VAL A 21 -3.668 -1.080 0.391 1.00 0.00 C ATOM 278 CG2 VAL A 21 -6.048 -1.829 0.393 1.00 0.00 C ATOM 0 H VAL A 21 -6.359 -2.302 2.939 1.00 0.00 H new ATOM 0 HA VAL A 21 -4.175 -3.556 1.447 1.00 0.00 H new ATOM 0 HB VAL A 21 -5.101 -0.680 1.948 1.00 0.00 H new ATOM 0 HG11 VAL A 21 -3.945 -0.202 -0.193 1.00 0.00 H new ATOM 0 HG12 VAL A 21 -2.809 -0.842 1.019 1.00 0.00 H new ATOM 0 HG13 VAL A 21 -3.410 -1.897 -0.282 1.00 0.00 H new ATOM 0 HG21 VAL A 21 -6.322 -0.952 -0.193 1.00 0.00 H new ATOM 0 HG22 VAL A 21 -5.792 -2.649 -0.278 1.00 0.00 H new ATOM 0 HG23 VAL A 21 -6.889 -2.123 1.021 1.00 0.00 H new ATOM 288 N LYS A 22 -3.583 -1.815 4.143 1.00 0.00 N ATOM 289 CA LYS A 22 -2.503 -1.503 5.101 1.00 0.00 C ATOM 290 C LYS A 22 -1.850 -2.812 5.486 1.00 0.00 C ATOM 291 O LYS A 22 -0.655 -2.900 5.687 1.00 0.00 O ATOM 292 CB LYS A 22 -3.193 -0.869 6.311 1.00 0.00 C ATOM 293 CG LYS A 22 -2.134 -0.292 7.250 1.00 0.00 C ATOM 294 CD LYS A 22 -2.747 -0.053 8.631 1.00 0.00 C ATOM 295 CE LYS A 22 -1.741 -0.454 9.712 1.00 0.00 C ATOM 296 NZ LYS A 22 -2.552 -0.616 10.949 1.00 0.00 N ATOM 0 H LYS A 22 -4.519 -1.534 4.434 1.00 0.00 H new ATOM 0 HA LYS A 22 -1.743 -0.832 4.700 1.00 0.00 H new ATOM 0 HB2 LYS A 22 -3.874 -0.083 5.985 1.00 0.00 H new ATOM 0 HB3 LYS A 22 -3.793 -1.614 6.834 1.00 0.00 H new ATOM 0 HG2 LYS A 22 -1.291 -0.978 7.329 1.00 0.00 H new ATOM 0 HG3 LYS A 22 -1.747 0.643 6.846 1.00 0.00 H new ATOM 0 HD2 LYS A 22 -3.019 0.997 8.743 1.00 0.00 H new ATOM 0 HD3 LYS A 22 -3.664 -0.633 8.739 1.00 0.00 H new ATOM 0 HE2 LYS A 22 -1.229 -1.380 9.451 1.00 0.00 H new ATOM 0 HE3 LYS A 22 -0.973 0.309 9.840 1.00 0.00 H new ATOM 0 HZ1 LYS A 22 -1.932 -0.891 11.737 1.00 0.00 H new ATOM 0 HZ2 LYS A 22 -3.022 0.283 11.176 1.00 0.00 H new ATOM 0 HZ3 LYS A 22 -3.270 -1.354 10.799 1.00 0.00 H new ATOM 310 N LYS A 23 -2.643 -3.841 5.574 1.00 0.00 N ATOM 311 CA LYS A 23 -2.083 -5.166 5.928 1.00 0.00 C ATOM 312 C LYS A 23 -1.226 -5.691 4.776 1.00 0.00 C ATOM 313 O LYS A 23 -0.196 -6.308 4.972 1.00 0.00 O ATOM 314 CB LYS A 23 -3.296 -6.068 6.165 1.00 0.00 C ATOM 315 CG LYS A 23 -2.872 -7.291 6.980 1.00 0.00 C ATOM 316 CD LYS A 23 -1.811 -8.077 6.207 1.00 0.00 C ATOM 317 CE LYS A 23 -1.944 -9.567 6.527 1.00 0.00 C ATOM 318 NZ LYS A 23 -1.115 -9.772 7.748 1.00 0.00 N ATOM 0 H LYS A 23 -3.650 -3.819 5.416 1.00 0.00 H new ATOM 0 HA LYS A 23 -1.442 -5.126 6.808 1.00 0.00 H new ATOM 0 HB2 LYS A 23 -4.074 -5.517 6.694 1.00 0.00 H new ATOM 0 HB3 LYS A 23 -3.720 -6.383 5.212 1.00 0.00 H new ATOM 0 HG2 LYS A 23 -2.476 -6.978 7.946 1.00 0.00 H new ATOM 0 HG3 LYS A 23 -3.736 -7.925 7.180 1.00 0.00 H new ATOM 0 HD2 LYS A 23 -1.930 -7.912 5.136 1.00 0.00 H new ATOM 0 HD3 LYS A 23 -0.815 -7.724 6.475 1.00 0.00 H new ATOM 0 HE2 LYS A 23 -2.984 -9.842 6.705 1.00 0.00 H new ATOM 0 HE3 LYS A 23 -1.589 -10.182 5.700 1.00 0.00 H new ATOM 0 HZ1 LYS A 23 -1.155 -10.772 8.031 1.00 0.00 H new ATOM 0 HZ2 LYS A 23 -0.129 -9.508 7.547 1.00 0.00 H new ATOM 0 HZ3 LYS A 23 -1.481 -9.179 8.520 1.00 0.00 H new ATOM 332 N ALA A 24 -1.654 -5.445 3.575 1.00 0.00 N ATOM 333 CA ALA A 24 -0.892 -5.918 2.387 1.00 0.00 C ATOM 334 C ALA A 24 0.513 -5.301 2.352 1.00 0.00 C ATOM 335 O ALA A 24 1.503 -6.003 2.301 1.00 0.00 O ATOM 336 CB ALA A 24 -1.711 -5.459 1.179 1.00 0.00 C ATOM 0 H ALA A 24 -2.508 -4.931 3.360 1.00 0.00 H new ATOM 0 HA ALA A 24 -0.752 -6.999 2.402 1.00 0.00 H new ATOM 0 HB1 ALA A 24 -1.212 -5.771 0.261 1.00 0.00 H new ATOM 0 HB2 ALA A 24 -2.704 -5.905 1.222 1.00 0.00 H new ATOM 0 HB3 ALA A 24 -1.801 -4.373 1.192 1.00 0.00 H new ATOM 342 N LEU A 25 0.612 -3.996 2.373 1.00 0.00 N ATOM 343 CA LEU A 25 1.962 -3.352 2.336 1.00 0.00 C ATOM 344 C LEU A 25 2.759 -3.727 3.584 1.00 0.00 C ATOM 345 O LEU A 25 3.966 -3.861 3.548 1.00 0.00 O ATOM 346 CB LEU A 25 1.699 -1.846 2.320 1.00 0.00 C ATOM 347 CG LEU A 25 0.581 -1.521 1.333 1.00 0.00 C ATOM 348 CD1 LEU A 25 -0.567 -0.856 2.088 1.00 0.00 C ATOM 349 CD2 LEU A 25 1.105 -0.563 0.261 1.00 0.00 C ATOM 0 H LEU A 25 -0.177 -3.351 2.414 1.00 0.00 H new ATOM 0 HA LEU A 25 2.538 -3.674 1.469 1.00 0.00 H new ATOM 0 HB2 LEU A 25 1.424 -1.506 3.318 1.00 0.00 H new ATOM 0 HB3 LEU A 25 2.608 -1.313 2.041 1.00 0.00 H new ATOM 0 HG LEU A 25 0.232 -2.438 0.857 1.00 0.00 H new ATOM 0 HD11 LEU A 25 -1.372 -0.619 1.392 1.00 0.00 H new ATOM 0 HD12 LEU A 25 -0.939 -1.535 2.856 1.00 0.00 H new ATOM 0 HD13 LEU A 25 -0.211 0.062 2.557 1.00 0.00 H new ATOM 0 HD21 LEU A 25 0.305 -0.332 -0.443 1.00 0.00 H new ATOM 0 HD22 LEU A 25 1.450 0.357 0.733 1.00 0.00 H new ATOM 0 HD23 LEU A 25 1.933 -1.031 -0.271 1.00 0.00 H new ATOM 361 N SER A 26 2.090 -3.904 4.689 1.00 0.00 N ATOM 362 CA SER A 26 2.803 -4.277 5.938 1.00 0.00 C ATOM 363 C SER A 26 3.343 -5.691 5.787 1.00 0.00 C ATOM 364 O SER A 26 4.248 -6.107 6.484 1.00 0.00 O ATOM 365 CB SER A 26 1.743 -4.214 7.038 1.00 0.00 C ATOM 366 OG SER A 26 1.039 -5.448 7.082 1.00 0.00 O ATOM 0 H SER A 26 1.079 -3.806 4.779 1.00 0.00 H new ATOM 0 HA SER A 26 3.644 -3.622 6.165 1.00 0.00 H new ATOM 0 HB2 SER A 26 2.213 -4.016 8.001 1.00 0.00 H new ATOM 0 HB3 SER A 26 1.051 -3.394 6.846 1.00 0.00 H new ATOM 0 HG SER A 26 0.782 -5.711 6.173 1.00 0.00 H new ATOM 372 N LYS A 27 2.785 -6.433 4.874 1.00 0.00 N ATOM 373 CA LYS A 27 3.252 -7.822 4.662 1.00 0.00 C ATOM 374 C LYS A 27 3.759 -7.987 3.218 1.00 0.00 C ATOM 375 O LYS A 27 4.072 -9.074 2.778 1.00 0.00 O ATOM 376 CB LYS A 27 2.007 -8.679 4.960 1.00 0.00 C ATOM 377 CG LYS A 27 1.830 -9.800 3.928 1.00 0.00 C ATOM 378 CD LYS A 27 1.330 -9.209 2.605 1.00 0.00 C ATOM 379 CE LYS A 27 0.282 -10.141 1.994 1.00 0.00 C ATOM 380 NZ LYS A 27 0.984 -10.821 0.868 1.00 0.00 N ATOM 0 H LYS A 27 2.023 -6.133 4.265 1.00 0.00 H new ATOM 0 HA LYS A 27 4.090 -8.112 5.296 1.00 0.00 H new ATOM 0 HB2 LYS A 27 2.093 -9.112 5.957 1.00 0.00 H new ATOM 0 HB3 LYS A 27 1.121 -8.044 4.964 1.00 0.00 H new ATOM 0 HG2 LYS A 27 2.777 -10.317 3.772 1.00 0.00 H new ATOM 0 HG3 LYS A 27 1.120 -10.540 4.298 1.00 0.00 H new ATOM 0 HD2 LYS A 27 0.900 -8.222 2.775 1.00 0.00 H new ATOM 0 HD3 LYS A 27 2.163 -9.079 1.914 1.00 0.00 H new ATOM 0 HE2 LYS A 27 -0.081 -10.862 2.727 1.00 0.00 H new ATOM 0 HE3 LYS A 27 -0.585 -9.583 1.640 1.00 0.00 H new ATOM 0 HZ1 LYS A 27 0.330 -11.478 0.398 1.00 0.00 H new ATOM 0 HZ2 LYS A 27 1.312 -10.110 0.184 1.00 0.00 H new ATOM 0 HZ3 LYS A 27 1.800 -11.349 1.236 1.00 0.00 H new ATOM 394 N VAL A 28 3.837 -6.914 2.475 1.00 0.00 N ATOM 395 CA VAL A 28 4.311 -7.019 1.062 1.00 0.00 C ATOM 396 C VAL A 28 5.690 -7.687 0.988 1.00 0.00 C ATOM 397 O VAL A 28 5.894 -8.601 0.216 1.00 0.00 O ATOM 398 CB VAL A 28 4.375 -5.581 0.539 1.00 0.00 C ATOM 399 CG1 VAL A 28 5.346 -4.757 1.386 1.00 0.00 C ATOM 400 CG2 VAL A 28 4.855 -5.591 -0.914 1.00 0.00 C ATOM 0 H VAL A 28 3.594 -5.973 2.783 1.00 0.00 H new ATOM 0 HA VAL A 28 3.640 -7.636 0.464 1.00 0.00 H new ATOM 0 HB VAL A 28 3.382 -5.136 0.598 1.00 0.00 H new ATOM 0 HG11 VAL A 28 5.384 -3.736 1.006 1.00 0.00 H new ATOM 0 HG12 VAL A 28 5.006 -4.746 2.422 1.00 0.00 H new ATOM 0 HG13 VAL A 28 6.340 -5.201 1.335 1.00 0.00 H new ATOM 0 HG21 VAL A 28 4.901 -4.569 -1.289 1.00 0.00 H new ATOM 0 HG22 VAL A 28 5.846 -6.042 -0.967 1.00 0.00 H new ATOM 0 HG23 VAL A 28 4.160 -6.169 -1.523 1.00 0.00 H new ATOM 410 N GLU A 29 6.638 -7.247 1.775 1.00 0.00 N ATOM 411 CA GLU A 29 7.993 -7.873 1.728 1.00 0.00 C ATOM 412 C GLU A 29 8.997 -7.081 2.570 1.00 0.00 C ATOM 413 O GLU A 29 9.255 -7.403 3.713 1.00 0.00 O ATOM 414 CB GLU A 29 8.401 -7.829 0.256 1.00 0.00 C ATOM 415 CG GLU A 29 8.305 -9.231 -0.339 1.00 0.00 C ATOM 416 CD GLU A 29 9.582 -9.550 -1.119 1.00 0.00 C ATOM 417 OE1 GLU A 29 9.715 -9.058 -2.227 1.00 0.00 O ATOM 418 OE2 GLU A 29 10.406 -10.282 -0.595 1.00 0.00 O ATOM 0 H GLU A 29 6.533 -6.485 2.445 1.00 0.00 H new ATOM 0 HA GLU A 29 7.977 -8.886 2.129 1.00 0.00 H new ATOM 0 HB2 GLU A 29 7.753 -7.144 -0.292 1.00 0.00 H new ATOM 0 HB3 GLU A 29 9.419 -7.450 0.160 1.00 0.00 H new ATOM 0 HG2 GLU A 29 8.160 -9.964 0.455 1.00 0.00 H new ATOM 0 HG3 GLU A 29 7.439 -9.298 -0.997 1.00 0.00 H new ATOM 425 N GLY A 30 9.583 -6.061 2.002 1.00 0.00 N ATOM 426 CA GLY A 30 10.591 -5.261 2.756 1.00 0.00 C ATOM 427 C GLY A 30 9.932 -4.047 3.411 1.00 0.00 C ATOM 428 O GLY A 30 10.604 -3.168 3.915 1.00 0.00 O ATOM 0 H GLY A 30 9.407 -5.747 1.048 1.00 0.00 H new ATOM 0 HA2 GLY A 30 11.060 -5.883 3.519 1.00 0.00 H new ATOM 0 HA3 GLY A 30 11.382 -4.933 2.081 1.00 0.00 H new ATOM 432 N VAL A 31 8.632 -3.989 3.413 1.00 0.00 N ATOM 433 CA VAL A 31 7.939 -2.828 4.049 1.00 0.00 C ATOM 434 C VAL A 31 8.620 -2.468 5.363 1.00 0.00 C ATOM 435 O VAL A 31 8.910 -3.314 6.185 1.00 0.00 O ATOM 436 CB VAL A 31 6.508 -3.298 4.295 1.00 0.00 C ATOM 437 CG1 VAL A 31 6.504 -4.396 5.359 1.00 0.00 C ATOM 438 CG2 VAL A 31 5.663 -2.116 4.778 1.00 0.00 C ATOM 0 H VAL A 31 8.017 -4.692 3.004 1.00 0.00 H new ATOM 0 HA VAL A 31 7.967 -1.937 3.421 1.00 0.00 H new ATOM 0 HB VAL A 31 6.090 -3.692 3.369 1.00 0.00 H new ATOM 0 HG11 VAL A 31 5.481 -4.730 5.533 1.00 0.00 H new ATOM 0 HG12 VAL A 31 7.107 -5.237 5.016 1.00 0.00 H new ATOM 0 HG13 VAL A 31 6.921 -4.005 6.287 1.00 0.00 H new ATOM 0 HG21 VAL A 31 4.640 -2.448 4.955 1.00 0.00 H new ATOM 0 HG22 VAL A 31 6.082 -1.724 5.704 1.00 0.00 H new ATOM 0 HG23 VAL A 31 5.664 -1.334 4.019 1.00 0.00 H new ATOM 448 N SER A 32 8.864 -1.211 5.564 1.00 0.00 N ATOM 449 CA SER A 32 9.513 -0.766 6.824 1.00 0.00 C ATOM 450 C SER A 32 8.494 -0.004 7.654 1.00 0.00 C ATOM 451 O SER A 32 8.646 0.180 8.846 1.00 0.00 O ATOM 452 CB SER A 32 10.657 0.148 6.391 1.00 0.00 C ATOM 453 OG SER A 32 11.799 -0.115 7.196 1.00 0.00 O ATOM 0 H SER A 32 8.641 -0.464 4.906 1.00 0.00 H new ATOM 0 HA SER A 32 9.883 -1.593 7.429 1.00 0.00 H new ATOM 0 HB2 SER A 32 10.893 -0.018 5.340 1.00 0.00 H new ATOM 0 HB3 SER A 32 10.361 1.192 6.490 1.00 0.00 H new ATOM 0 HG SER A 32 12.536 0.469 6.919 1.00 0.00 H new ATOM 459 N LYS A 33 7.446 0.430 7.022 1.00 0.00 N ATOM 460 CA LYS A 33 6.388 1.176 7.757 1.00 0.00 C ATOM 461 C LYS A 33 5.117 1.209 6.906 1.00 0.00 C ATOM 462 O LYS A 33 5.165 1.029 5.706 1.00 0.00 O ATOM 463 CB LYS A 33 6.969 2.579 7.976 1.00 0.00 C ATOM 464 CG LYS A 33 5.841 3.612 8.053 1.00 0.00 C ATOM 465 CD LYS A 33 6.254 4.756 8.980 1.00 0.00 C ATOM 466 CE LYS A 33 5.032 5.623 9.293 1.00 0.00 C ATOM 467 NZ LYS A 33 4.526 6.069 7.964 1.00 0.00 N ATOM 0 H LYS A 33 7.273 0.301 6.025 1.00 0.00 H new ATOM 0 HA LYS A 33 6.117 0.720 8.709 1.00 0.00 H new ATOM 0 HB2 LYS A 33 7.554 2.599 8.896 1.00 0.00 H new ATOM 0 HB3 LYS A 33 7.648 2.831 7.161 1.00 0.00 H new ATOM 0 HG2 LYS A 33 5.620 3.999 7.058 1.00 0.00 H new ATOM 0 HG3 LYS A 33 4.929 3.143 8.422 1.00 0.00 H new ATOM 0 HD2 LYS A 33 6.676 4.357 9.902 1.00 0.00 H new ATOM 0 HD3 LYS A 33 7.030 5.359 8.508 1.00 0.00 H new ATOM 0 HE2 LYS A 33 4.274 5.057 9.834 1.00 0.00 H new ATOM 0 HE3 LYS A 33 5.301 6.474 9.919 1.00 0.00 H new ATOM 0 HZ1 LYS A 33 3.983 6.949 8.077 1.00 0.00 H new ATOM 0 HZ2 LYS A 33 5.329 6.237 7.325 1.00 0.00 H new ATOM 0 HZ3 LYS A 33 3.912 5.333 7.561 1.00 0.00 H new ATOM 481 N VAL A 34 3.980 1.420 7.507 1.00 0.00 N ATOM 482 CA VAL A 34 2.728 1.436 6.702 1.00 0.00 C ATOM 483 C VAL A 34 1.619 2.240 7.386 1.00 0.00 C ATOM 484 O VAL A 34 1.444 2.199 8.588 1.00 0.00 O ATOM 485 CB VAL A 34 2.320 -0.033 6.594 1.00 0.00 C ATOM 486 CG1 VAL A 34 0.954 -0.139 5.916 1.00 0.00 C ATOM 487 CG2 VAL A 34 3.359 -0.788 5.767 1.00 0.00 C ATOM 0 H VAL A 34 3.863 1.580 8.508 1.00 0.00 H new ATOM 0 HA VAL A 34 2.887 1.908 5.733 1.00 0.00 H new ATOM 0 HB VAL A 34 2.262 -0.467 7.592 1.00 0.00 H new ATOM 0 HG11 VAL A 34 0.666 -1.187 5.840 1.00 0.00 H new ATOM 0 HG12 VAL A 34 0.212 0.400 6.506 1.00 0.00 H new ATOM 0 HG13 VAL A 34 1.009 0.295 4.918 1.00 0.00 H new ATOM 0 HG21 VAL A 34 3.070 -1.836 5.689 1.00 0.00 H new ATOM 0 HG22 VAL A 34 3.417 -0.352 4.770 1.00 0.00 H new ATOM 0 HG23 VAL A 34 4.333 -0.715 6.252 1.00 0.00 H new ATOM 497 N ASP A 35 0.851 2.942 6.601 1.00 0.00 N ATOM 498 CA ASP A 35 -0.285 3.737 7.138 1.00 0.00 C ATOM 499 C ASP A 35 -1.425 3.614 6.132 1.00 0.00 C ATOM 500 O ASP A 35 -1.198 3.279 4.987 1.00 0.00 O ATOM 501 CB ASP A 35 0.230 5.175 7.227 1.00 0.00 C ATOM 502 CG ASP A 35 0.518 5.525 8.688 1.00 0.00 C ATOM 503 OD1 ASP A 35 1.262 4.791 9.316 1.00 0.00 O ATOM 504 OD2 ASP A 35 -0.011 6.521 9.154 1.00 0.00 O ATOM 0 H ASP A 35 0.967 2.998 5.589 1.00 0.00 H new ATOM 0 HA ASP A 35 -0.643 3.408 8.114 1.00 0.00 H new ATOM 0 HB2 ASP A 35 1.135 5.286 6.630 1.00 0.00 H new ATOM 0 HB3 ASP A 35 -0.509 5.863 6.816 1.00 0.00 H new ATOM 509 N VAL A 36 -2.645 3.844 6.515 1.00 0.00 N ATOM 510 CA VAL A 36 -3.726 3.680 5.508 1.00 0.00 C ATOM 511 C VAL A 36 -4.951 4.528 5.815 1.00 0.00 C ATOM 512 O VAL A 36 -5.106 5.082 6.886 1.00 0.00 O ATOM 513 CB VAL A 36 -4.088 2.200 5.568 1.00 0.00 C ATOM 514 CG1 VAL A 36 -4.845 1.916 6.867 1.00 0.00 C ATOM 515 CG2 VAL A 36 -4.977 1.845 4.374 1.00 0.00 C ATOM 0 H VAL A 36 -2.937 4.129 7.450 1.00 0.00 H new ATOM 0 HA VAL A 36 -3.388 4.004 4.524 1.00 0.00 H new ATOM 0 HB VAL A 36 -3.179 1.600 5.536 1.00 0.00 H new ATOM 0 HG11 VAL A 36 -5.105 0.859 6.913 1.00 0.00 H new ATOM 0 HG12 VAL A 36 -4.215 2.172 7.719 1.00 0.00 H new ATOM 0 HG13 VAL A 36 -5.755 2.515 6.896 1.00 0.00 H new ATOM 0 HG21 VAL A 36 -5.237 0.787 4.415 1.00 0.00 H new ATOM 0 HG22 VAL A 36 -5.887 2.444 4.407 1.00 0.00 H new ATOM 0 HG23 VAL A 36 -4.441 2.051 3.447 1.00 0.00 H new ATOM 525 N GLY A 37 -5.833 4.600 4.861 1.00 0.00 N ATOM 526 CA GLY A 37 -7.084 5.372 5.031 1.00 0.00 C ATOM 527 C GLY A 37 -8.246 4.474 4.617 1.00 0.00 C ATOM 528 O GLY A 37 -8.393 4.138 3.458 1.00 0.00 O ATOM 0 H GLY A 37 -5.734 4.146 3.953 1.00 0.00 H new ATOM 0 HA2 GLY A 37 -7.198 5.691 6.067 1.00 0.00 H new ATOM 0 HA3 GLY A 37 -7.062 6.274 4.420 1.00 0.00 H new ATOM 532 N PHE A 38 -9.042 4.069 5.570 1.00 0.00 N ATOM 533 CA PHE A 38 -10.203 3.173 5.297 1.00 0.00 C ATOM 534 C PHE A 38 -11.079 3.708 4.148 1.00 0.00 C ATOM 535 O PHE A 38 -10.586 4.049 3.097 1.00 0.00 O ATOM 536 CB PHE A 38 -10.971 3.157 6.628 1.00 0.00 C ATOM 537 CG PHE A 38 -11.698 4.475 6.860 1.00 0.00 C ATOM 538 CD1 PHE A 38 -11.055 5.708 6.657 1.00 0.00 C ATOM 539 CD2 PHE A 38 -13.033 4.453 7.286 1.00 0.00 C ATOM 540 CE1 PHE A 38 -11.746 6.904 6.881 1.00 0.00 C ATOM 541 CE2 PHE A 38 -13.721 5.652 7.508 1.00 0.00 C ATOM 542 CZ PHE A 38 -13.077 6.876 7.305 1.00 0.00 C ATOM 0 H PHE A 38 -8.933 4.329 6.550 1.00 0.00 H new ATOM 0 HA PHE A 38 -9.895 2.178 4.975 1.00 0.00 H new ATOM 0 HB2 PHE A 38 -11.690 2.338 6.626 1.00 0.00 H new ATOM 0 HB3 PHE A 38 -10.278 2.972 7.449 1.00 0.00 H new ATOM 0 HD1 PHE A 38 -10.027 5.733 6.328 1.00 0.00 H new ATOM 0 HD2 PHE A 38 -13.532 3.508 7.443 1.00 0.00 H new ATOM 0 HE1 PHE A 38 -11.250 7.851 6.726 1.00 0.00 H new ATOM 0 HE2 PHE A 38 -14.750 5.631 7.836 1.00 0.00 H new ATOM 0 HZ PHE A 38 -13.609 7.800 7.476 1.00 0.00 H new ATOM 552 N GLU A 39 -12.379 3.744 4.339 1.00 0.00 N ATOM 553 CA GLU A 39 -13.318 4.236 3.273 1.00 0.00 C ATOM 554 C GLU A 39 -12.658 5.274 2.347 1.00 0.00 C ATOM 555 O GLU A 39 -12.981 5.358 1.180 1.00 0.00 O ATOM 556 CB GLU A 39 -14.475 4.876 4.043 1.00 0.00 C ATOM 557 CG GLU A 39 -15.806 4.341 3.510 1.00 0.00 C ATOM 558 CD GLU A 39 -16.948 4.849 4.392 1.00 0.00 C ATOM 559 OE1 GLU A 39 -16.702 5.734 5.194 1.00 0.00 O ATOM 560 OE2 GLU A 39 -18.050 4.343 4.252 1.00 0.00 O ATOM 0 H GLU A 39 -12.837 3.449 5.201 1.00 0.00 H new ATOM 0 HA GLU A 39 -13.634 3.421 2.622 1.00 0.00 H new ATOM 0 HB2 GLU A 39 -14.383 4.656 5.107 1.00 0.00 H new ATOM 0 HB3 GLU A 39 -14.439 5.960 3.938 1.00 0.00 H new ATOM 0 HG2 GLU A 39 -15.955 4.666 2.480 1.00 0.00 H new ATOM 0 HG3 GLU A 39 -15.795 3.251 3.502 1.00 0.00 H new ATOM 567 N LYS A 40 -11.733 6.056 2.843 1.00 0.00 N ATOM 568 CA LYS A 40 -11.057 7.069 1.970 1.00 0.00 C ATOM 569 C LYS A 40 -9.949 6.414 1.119 1.00 0.00 C ATOM 570 O LYS A 40 -8.991 7.058 0.740 1.00 0.00 O ATOM 571 CB LYS A 40 -10.456 8.079 2.948 1.00 0.00 C ATOM 572 CG LYS A 40 -11.558 9.007 3.465 1.00 0.00 C ATOM 573 CD LYS A 40 -10.924 10.201 4.181 1.00 0.00 C ATOM 574 CE LYS A 40 -11.963 10.872 5.082 1.00 0.00 C ATOM 575 NZ LYS A 40 -11.166 11.627 6.090 1.00 0.00 N ATOM 0 H LYS A 40 -11.416 6.039 3.812 1.00 0.00 H new ATOM 0 HA LYS A 40 -11.750 7.531 1.266 1.00 0.00 H new ATOM 0 HB2 LYS A 40 -9.984 7.558 3.781 1.00 0.00 H new ATOM 0 HB3 LYS A 40 -9.678 8.661 2.454 1.00 0.00 H new ATOM 0 HG2 LYS A 40 -12.176 9.352 2.636 1.00 0.00 H new ATOM 0 HG3 LYS A 40 -12.213 8.466 4.148 1.00 0.00 H new ATOM 0 HD2 LYS A 40 -10.072 9.871 4.775 1.00 0.00 H new ATOM 0 HD3 LYS A 40 -10.545 10.916 3.451 1.00 0.00 H new ATOM 0 HE2 LYS A 40 -12.610 11.538 4.511 1.00 0.00 H new ATOM 0 HE3 LYS A 40 -12.607 10.134 5.560 1.00 0.00 H new ATOM 0 HZ1 LYS A 40 -11.809 12.116 6.746 1.00 0.00 H new ATOM 0 HZ2 LYS A 40 -10.565 10.966 6.623 1.00 0.00 H new ATOM 0 HZ3 LYS A 40 -10.568 12.327 5.606 1.00 0.00 H new ATOM 589 N ARG A 41 -10.097 5.143 0.820 1.00 0.00 N ATOM 590 CA ARG A 41 -9.103 4.378 -0.008 1.00 0.00 C ATOM 591 C ARG A 41 -7.760 5.102 -0.196 1.00 0.00 C ATOM 592 O ARG A 41 -7.544 5.801 -1.165 1.00 0.00 O ATOM 593 CB ARG A 41 -9.802 4.170 -1.354 1.00 0.00 C ATOM 594 CG ARG A 41 -9.847 5.476 -2.153 1.00 0.00 C ATOM 595 CD ARG A 41 -8.958 5.338 -3.392 1.00 0.00 C ATOM 596 NE ARG A 41 -9.895 5.504 -4.539 1.00 0.00 N ATOM 597 CZ ARG A 41 -9.434 5.618 -5.755 1.00 0.00 C ATOM 598 NH1 ARG A 41 -8.148 5.578 -5.978 1.00 0.00 N ATOM 599 NH2 ARG A 41 -10.265 5.766 -6.750 1.00 0.00 N ATOM 0 H ARG A 41 -10.894 4.585 1.127 1.00 0.00 H new ATOM 0 HA ARG A 41 -8.833 3.446 0.489 1.00 0.00 H new ATOM 0 HB2 ARG A 41 -9.277 3.406 -1.927 1.00 0.00 H new ATOM 0 HB3 ARG A 41 -10.816 3.804 -1.189 1.00 0.00 H new ATOM 0 HG2 ARG A 41 -10.872 5.700 -2.449 1.00 0.00 H new ATOM 0 HG3 ARG A 41 -9.505 6.306 -1.535 1.00 0.00 H new ATOM 0 HD2 ARG A 41 -8.175 6.096 -3.406 1.00 0.00 H new ATOM 0 HD3 ARG A 41 -8.463 4.367 -3.420 1.00 0.00 H new ATOM 0 HE ARG A 41 -10.901 5.529 -4.373 1.00 0.00 H new ATOM 0 HH11 ARG A 41 -7.499 5.457 -5.200 1.00 0.00 H new ATOM 0 HH12 ARG A 41 -7.792 5.667 -6.930 1.00 0.00 H new ATOM 0 HH21 ARG A 41 -11.270 5.792 -6.576 1.00 0.00 H new ATOM 0 HH22 ARG A 41 -9.910 5.856 -7.702 1.00 0.00 H new ATOM 613 N GLU A 42 -6.836 4.920 0.706 1.00 0.00 N ATOM 614 CA GLU A 42 -5.509 5.591 0.527 1.00 0.00 C ATOM 615 C GLU A 42 -4.456 4.993 1.469 1.00 0.00 C ATOM 616 O GLU A 42 -4.507 5.186 2.666 1.00 0.00 O ATOM 617 CB GLU A 42 -5.762 7.061 0.867 1.00 0.00 C ATOM 618 CG GLU A 42 -5.111 7.953 -0.193 1.00 0.00 C ATOM 619 CD GLU A 42 -5.613 9.389 -0.027 1.00 0.00 C ATOM 620 OE1 GLU A 42 -6.267 9.655 0.967 1.00 0.00 O ATOM 621 OE2 GLU A 42 -5.333 10.198 -0.897 1.00 0.00 O ATOM 0 H GLU A 42 -6.934 4.348 1.545 1.00 0.00 H new ATOM 0 HA GLU A 42 -5.123 5.461 -0.484 1.00 0.00 H new ATOM 0 HB2 GLU A 42 -6.834 7.255 0.912 1.00 0.00 H new ATOM 0 HB3 GLU A 42 -5.355 7.292 1.851 1.00 0.00 H new ATOM 0 HG2 GLU A 42 -4.026 7.922 -0.094 1.00 0.00 H new ATOM 0 HG3 GLU A 42 -5.351 7.585 -1.191 1.00 0.00 H new ATOM 628 N ALA A 43 -3.499 4.266 0.940 1.00 0.00 N ATOM 629 CA ALA A 43 -2.455 3.662 1.824 1.00 0.00 C ATOM 630 C ALA A 43 -1.084 4.319 1.603 1.00 0.00 C ATOM 631 O ALA A 43 -0.571 4.350 0.505 1.00 0.00 O ATOM 632 CB ALA A 43 -2.409 2.187 1.424 1.00 0.00 C ATOM 0 H ALA A 43 -3.397 4.067 -0.055 1.00 0.00 H new ATOM 0 HA ALA A 43 -2.692 3.803 2.878 1.00 0.00 H new ATOM 0 HB1 ALA A 43 -1.664 1.669 2.028 1.00 0.00 H new ATOM 0 HB2 ALA A 43 -3.387 1.735 1.588 1.00 0.00 H new ATOM 0 HB3 ALA A 43 -2.143 2.104 0.370 1.00 0.00 H new ATOM 638 N VAL A 44 -0.472 4.815 2.648 1.00 0.00 N ATOM 639 CA VAL A 44 0.875 5.438 2.501 1.00 0.00 C ATOM 640 C VAL A 44 1.897 4.521 3.162 1.00 0.00 C ATOM 641 O VAL A 44 1.859 4.294 4.352 1.00 0.00 O ATOM 642 CB VAL A 44 0.782 6.783 3.226 1.00 0.00 C ATOM 643 CG1 VAL A 44 0.743 6.555 4.736 1.00 0.00 C ATOM 644 CG2 VAL A 44 2.001 7.638 2.873 1.00 0.00 C ATOM 0 H VAL A 44 -0.848 4.815 3.596 1.00 0.00 H new ATOM 0 HA VAL A 44 1.177 5.583 1.464 1.00 0.00 H new ATOM 0 HB VAL A 44 -0.128 7.296 2.915 1.00 0.00 H new ATOM 0 HG11 VAL A 44 0.677 7.515 5.247 1.00 0.00 H new ATOM 0 HG12 VAL A 44 -0.126 5.948 4.990 1.00 0.00 H new ATOM 0 HG13 VAL A 44 1.650 6.039 5.050 1.00 0.00 H new ATOM 0 HG21 VAL A 44 1.935 8.596 3.389 1.00 0.00 H new ATOM 0 HG22 VAL A 44 2.910 7.121 3.182 1.00 0.00 H new ATOM 0 HG23 VAL A 44 2.028 7.807 1.796 1.00 0.00 H new ATOM 654 N VAL A 45 2.785 3.950 2.403 1.00 0.00 N ATOM 655 CA VAL A 45 3.754 3.003 3.030 1.00 0.00 C ATOM 656 C VAL A 45 5.212 3.321 2.688 1.00 0.00 C ATOM 657 O VAL A 45 5.538 3.801 1.621 1.00 0.00 O ATOM 658 CB VAL A 45 3.365 1.635 2.462 1.00 0.00 C ATOM 659 CG1 VAL A 45 4.508 0.637 2.677 1.00 0.00 C ATOM 660 CG2 VAL A 45 2.110 1.127 3.175 1.00 0.00 C ATOM 0 H VAL A 45 2.885 4.090 1.398 1.00 0.00 H new ATOM 0 HA VAL A 45 3.701 3.058 4.117 1.00 0.00 H new ATOM 0 HB VAL A 45 3.169 1.733 1.394 1.00 0.00 H new ATOM 0 HG11 VAL A 45 4.225 -0.334 2.271 1.00 0.00 H new ATOM 0 HG12 VAL A 45 5.404 0.995 2.170 1.00 0.00 H new ATOM 0 HG13 VAL A 45 4.710 0.539 3.744 1.00 0.00 H new ATOM 0 HG21 VAL A 45 1.832 0.153 2.772 1.00 0.00 H new ATOM 0 HG22 VAL A 45 2.310 1.034 4.242 1.00 0.00 H new ATOM 0 HG23 VAL A 45 1.293 1.831 3.019 1.00 0.00 H new ATOM 670 N THR A 46 6.084 2.991 3.600 1.00 0.00 N ATOM 671 CA THR A 46 7.543 3.182 3.392 1.00 0.00 C ATOM 672 C THR A 46 8.167 1.797 3.305 1.00 0.00 C ATOM 673 O THR A 46 7.578 0.826 3.741 1.00 0.00 O ATOM 674 CB THR A 46 8.037 3.915 4.641 1.00 0.00 C ATOM 675 OG1 THR A 46 7.831 5.311 4.483 1.00 0.00 O ATOM 676 CG2 THR A 46 9.530 3.634 4.850 1.00 0.00 C ATOM 0 H THR A 46 5.837 2.587 4.503 1.00 0.00 H new ATOM 0 HA THR A 46 7.792 3.743 2.491 1.00 0.00 H new ATOM 0 HB THR A 46 7.482 3.563 5.510 1.00 0.00 H new ATOM 0 HG1 THR A 46 7.029 5.581 4.977 1.00 0.00 H new ATOM 0 HG21 THR A 46 9.878 4.158 5.740 1.00 0.00 H new ATOM 0 HG22 THR A 46 9.684 2.562 4.976 1.00 0.00 H new ATOM 0 HG23 THR A 46 10.091 3.982 3.982 1.00 0.00 H new ATOM 684 N PHE A 47 9.334 1.674 2.753 1.00 0.00 N ATOM 685 CA PHE A 47 9.932 0.322 2.662 1.00 0.00 C ATOM 686 C PHE A 47 11.362 0.389 2.182 1.00 0.00 C ATOM 687 O PHE A 47 11.934 1.444 2.029 1.00 0.00 O ATOM 688 CB PHE A 47 9.079 -0.401 1.626 1.00 0.00 C ATOM 689 CG PHE A 47 9.176 0.347 0.317 1.00 0.00 C ATOM 690 CD1 PHE A 47 10.224 0.073 -0.575 1.00 0.00 C ATOM 691 CD2 PHE A 47 8.222 1.322 -0.003 1.00 0.00 C ATOM 692 CE1 PHE A 47 10.317 0.774 -1.779 1.00 0.00 C ATOM 693 CE2 PHE A 47 8.318 2.022 -1.210 1.00 0.00 C ATOM 694 CZ PHE A 47 9.364 1.747 -2.097 1.00 0.00 C ATOM 0 H PHE A 47 9.892 2.436 2.367 1.00 0.00 H new ATOM 0 HA PHE A 47 9.949 -0.178 3.631 1.00 0.00 H new ATOM 0 HB2 PHE A 47 9.424 -1.428 1.502 1.00 0.00 H new ATOM 0 HB3 PHE A 47 8.042 -0.451 1.958 1.00 0.00 H new ATOM 0 HD1 PHE A 47 10.959 -0.680 -0.330 1.00 0.00 H new ATOM 0 HD2 PHE A 47 7.414 1.533 0.681 1.00 0.00 H new ATOM 0 HE1 PHE A 47 11.125 0.565 -2.465 1.00 0.00 H new ATOM 0 HE2 PHE A 47 7.584 2.775 -1.457 1.00 0.00 H new ATOM 0 HZ PHE A 47 9.436 2.287 -3.029 1.00 0.00 H new ATOM 704 N ASP A 48 11.918 -0.746 1.905 1.00 0.00 N ATOM 705 CA ASP A 48 13.299 -0.793 1.389 1.00 0.00 C ATOM 706 C ASP A 48 13.213 -1.140 -0.089 1.00 0.00 C ATOM 707 O ASP A 48 12.606 -2.122 -0.469 1.00 0.00 O ATOM 708 CB ASP A 48 13.993 -1.903 2.180 1.00 0.00 C ATOM 709 CG ASP A 48 13.828 -1.641 3.678 1.00 0.00 C ATOM 710 OD1 ASP A 48 12.697 -1.602 4.132 1.00 0.00 O ATOM 711 OD2 ASP A 48 14.837 -1.485 4.346 1.00 0.00 O ATOM 0 H ASP A 48 11.468 -1.654 2.016 1.00 0.00 H new ATOM 0 HA ASP A 48 13.847 0.143 1.496 1.00 0.00 H new ATOM 0 HB2 ASP A 48 13.565 -2.871 1.920 1.00 0.00 H new ATOM 0 HB3 ASP A 48 15.051 -1.942 1.921 1.00 0.00 H new ATOM 716 N ASP A 49 13.763 -0.323 -0.934 1.00 0.00 N ATOM 717 CA ASP A 49 13.641 -0.602 -2.391 1.00 0.00 C ATOM 718 C ASP A 49 14.507 -1.803 -2.808 1.00 0.00 C ATOM 719 O ASP A 49 14.575 -2.151 -3.970 1.00 0.00 O ATOM 720 CB ASP A 49 14.068 0.703 -3.088 1.00 0.00 C ATOM 721 CG ASP A 49 15.517 0.609 -3.581 1.00 0.00 C ATOM 722 OD1 ASP A 49 15.761 -0.156 -4.500 1.00 0.00 O ATOM 723 OD2 ASP A 49 16.356 1.304 -3.032 1.00 0.00 O ATOM 0 H ASP A 49 14.286 0.517 -0.687 1.00 0.00 H new ATOM 0 HA ASP A 49 12.626 -0.882 -2.672 1.00 0.00 H new ATOM 0 HB2 ASP A 49 13.405 0.905 -3.930 1.00 0.00 H new ATOM 0 HB3 ASP A 49 13.968 1.539 -2.396 1.00 0.00 H new ATOM 728 N THR A 50 15.154 -2.448 -1.876 1.00 0.00 N ATOM 729 CA THR A 50 15.991 -3.631 -2.239 1.00 0.00 C ATOM 730 C THR A 50 15.114 -4.887 -2.288 1.00 0.00 C ATOM 731 O THR A 50 15.337 -5.783 -3.079 1.00 0.00 O ATOM 732 CB THR A 50 17.039 -3.753 -1.129 1.00 0.00 C ATOM 733 OG1 THR A 50 16.489 -3.295 0.098 1.00 0.00 O ATOM 734 CG2 THR A 50 18.268 -2.914 -1.487 1.00 0.00 C ATOM 0 H THR A 50 15.141 -2.210 -0.884 1.00 0.00 H new ATOM 0 HA THR A 50 16.459 -3.519 -3.217 1.00 0.00 H new ATOM 0 HB THR A 50 17.334 -4.797 -1.025 1.00 0.00 H new ATOM 0 HG1 THR A 50 17.160 -3.375 0.808 1.00 0.00 H new ATOM 0 HG21 THR A 50 19.012 -3.003 -0.695 1.00 0.00 H new ATOM 0 HG22 THR A 50 18.692 -3.272 -2.425 1.00 0.00 H new ATOM 0 HG23 THR A 50 17.976 -1.869 -1.596 1.00 0.00 H new ATOM 742 N LYS A 51 14.111 -4.955 -1.452 1.00 0.00 N ATOM 743 CA LYS A 51 13.215 -6.148 -1.457 1.00 0.00 C ATOM 744 C LYS A 51 11.780 -5.727 -1.787 1.00 0.00 C ATOM 745 O LYS A 51 10.898 -6.550 -1.930 1.00 0.00 O ATOM 746 CB LYS A 51 13.295 -6.721 -0.040 1.00 0.00 C ATOM 747 CG LYS A 51 13.972 -8.093 -0.083 1.00 0.00 C ATOM 748 CD LYS A 51 13.512 -8.930 1.113 1.00 0.00 C ATOM 749 CE LYS A 51 13.962 -8.257 2.412 1.00 0.00 C ATOM 750 NZ LYS A 51 14.278 -9.381 3.337 1.00 0.00 N ATOM 0 H LYS A 51 13.874 -4.237 -0.767 1.00 0.00 H new ATOM 0 HA LYS A 51 13.513 -6.882 -2.205 1.00 0.00 H new ATOM 0 HB2 LYS A 51 13.857 -6.046 0.606 1.00 0.00 H new ATOM 0 HB3 LYS A 51 12.295 -6.810 0.385 1.00 0.00 H new ATOM 0 HG2 LYS A 51 13.724 -8.603 -1.014 1.00 0.00 H new ATOM 0 HG3 LYS A 51 15.056 -7.976 -0.063 1.00 0.00 H new ATOM 0 HD2 LYS A 51 12.427 -9.034 1.102 1.00 0.00 H new ATOM 0 HD3 LYS A 51 13.929 -9.935 1.049 1.00 0.00 H new ATOM 0 HE2 LYS A 51 14.834 -7.624 2.247 1.00 0.00 H new ATOM 0 HE3 LYS A 51 13.177 -7.619 2.819 1.00 0.00 H new ATOM 0 HZ1 LYS A 51 14.594 -9.000 4.251 1.00 0.00 H new ATOM 0 HZ2 LYS A 51 13.428 -9.962 3.480 1.00 0.00 H new ATOM 0 HZ3 LYS A 51 15.033 -9.967 2.926 1.00 0.00 H new ATOM 764 N ALA A 52 11.545 -4.451 -1.916 1.00 0.00 N ATOM 765 CA ALA A 52 10.170 -3.972 -2.242 1.00 0.00 C ATOM 766 C ALA A 52 10.240 -2.727 -3.132 1.00 0.00 C ATOM 767 O ALA A 52 11.296 -2.336 -3.588 1.00 0.00 O ATOM 768 CB ALA A 52 9.533 -3.630 -0.897 1.00 0.00 C ATOM 0 H ALA A 52 12.246 -3.717 -1.810 1.00 0.00 H new ATOM 0 HA ALA A 52 9.594 -4.721 -2.785 1.00 0.00 H new ATOM 0 HB1 ALA A 52 8.517 -3.269 -1.057 1.00 0.00 H new ATOM 0 HB2 ALA A 52 9.507 -4.521 -0.269 1.00 0.00 H new ATOM 0 HB3 ALA A 52 10.119 -2.855 -0.403 1.00 0.00 H new ATOM 774 N SER A 53 9.121 -2.104 -3.383 1.00 0.00 N ATOM 775 CA SER A 53 9.119 -0.885 -4.242 1.00 0.00 C ATOM 776 C SER A 53 7.691 -0.354 -4.386 1.00 0.00 C ATOM 777 O SER A 53 6.739 -1.095 -4.283 1.00 0.00 O ATOM 778 CB SER A 53 9.656 -1.354 -5.593 1.00 0.00 C ATOM 779 OG SER A 53 10.647 -0.442 -6.047 1.00 0.00 O ATOM 0 H SER A 53 8.207 -2.387 -3.030 1.00 0.00 H new ATOM 0 HA SER A 53 9.721 -0.078 -3.824 1.00 0.00 H new ATOM 0 HB2 SER A 53 10.080 -2.354 -5.501 1.00 0.00 H new ATOM 0 HB3 SER A 53 8.844 -1.417 -6.318 1.00 0.00 H new ATOM 0 HG SER A 53 10.995 -0.741 -6.913 1.00 0.00 H new ATOM 785 N VAL A 54 7.530 0.918 -4.624 1.00 0.00 N ATOM 786 CA VAL A 54 6.165 1.475 -4.780 1.00 0.00 C ATOM 787 C VAL A 54 5.320 0.543 -5.648 1.00 0.00 C ATOM 788 O VAL A 54 4.128 0.405 -5.451 1.00 0.00 O ATOM 789 CB VAL A 54 6.381 2.820 -5.462 1.00 0.00 C ATOM 790 CG1 VAL A 54 7.298 3.690 -4.600 1.00 0.00 C ATOM 791 CG2 VAL A 54 7.024 2.602 -6.832 1.00 0.00 C ATOM 0 H VAL A 54 8.288 1.594 -4.717 1.00 0.00 H new ATOM 0 HA VAL A 54 5.635 1.582 -3.833 1.00 0.00 H new ATOM 0 HB VAL A 54 5.420 3.320 -5.588 1.00 0.00 H new ATOM 0 HG11 VAL A 54 7.452 4.652 -5.089 1.00 0.00 H new ATOM 0 HG12 VAL A 54 6.838 3.848 -3.625 1.00 0.00 H new ATOM 0 HG13 VAL A 54 8.258 3.191 -4.472 1.00 0.00 H new ATOM 0 HG21 VAL A 54 7.178 3.565 -7.319 1.00 0.00 H new ATOM 0 HG22 VAL A 54 7.984 2.101 -6.708 1.00 0.00 H new ATOM 0 HG23 VAL A 54 6.369 1.985 -7.447 1.00 0.00 H new ATOM 801 N GLN A 55 5.932 -0.117 -6.591 1.00 0.00 N ATOM 802 CA GLN A 55 5.169 -1.060 -7.450 1.00 0.00 C ATOM 803 C GLN A 55 4.723 -2.251 -6.602 1.00 0.00 C ATOM 804 O GLN A 55 3.583 -2.666 -6.637 1.00 0.00 O ATOM 805 CB GLN A 55 6.160 -1.505 -8.526 1.00 0.00 C ATOM 806 CG GLN A 55 5.408 -1.840 -9.815 1.00 0.00 C ATOM 807 CD GLN A 55 6.143 -2.960 -10.550 1.00 0.00 C ATOM 808 OE1 GLN A 55 7.348 -3.079 -10.448 1.00 0.00 O ATOM 809 NE2 GLN A 55 5.467 -3.794 -11.292 1.00 0.00 N ATOM 0 H GLN A 55 6.927 -0.043 -6.803 1.00 0.00 H new ATOM 0 HA GLN A 55 4.277 -0.613 -7.890 1.00 0.00 H new ATOM 0 HB2 GLN A 55 6.887 -0.715 -8.713 1.00 0.00 H new ATOM 0 HB3 GLN A 55 6.717 -2.376 -8.182 1.00 0.00 H new ATOM 0 HG2 GLN A 55 4.388 -2.148 -9.585 1.00 0.00 H new ATOM 0 HG3 GLN A 55 5.339 -0.957 -10.450 1.00 0.00 H new ATOM 0 HE21 GLN A 55 4.455 -3.695 -11.378 1.00 0.00 H new ATOM 0 HE22 GLN A 55 5.950 -4.545 -11.785 1.00 0.00 H new ATOM 818 N LYS A 56 5.626 -2.797 -5.831 1.00 0.00 N ATOM 819 CA LYS A 56 5.276 -3.955 -4.964 1.00 0.00 C ATOM 820 C LYS A 56 4.225 -3.545 -3.929 1.00 0.00 C ATOM 821 O LYS A 56 3.461 -4.363 -3.457 1.00 0.00 O ATOM 822 CB LYS A 56 6.588 -4.350 -4.285 1.00 0.00 C ATOM 823 CG LYS A 56 7.672 -4.535 -5.349 1.00 0.00 C ATOM 824 CD LYS A 56 8.699 -5.562 -4.865 1.00 0.00 C ATOM 825 CE LYS A 56 9.038 -6.526 -6.006 1.00 0.00 C ATOM 826 NZ LYS A 56 7.855 -7.425 -6.117 1.00 0.00 N ATOM 0 H LYS A 56 6.596 -2.487 -5.766 1.00 0.00 H new ATOM 0 HA LYS A 56 4.848 -4.783 -5.529 1.00 0.00 H new ATOM 0 HB2 LYS A 56 6.888 -3.581 -3.573 1.00 0.00 H new ATOM 0 HB3 LYS A 56 6.455 -5.273 -3.720 1.00 0.00 H new ATOM 0 HG2 LYS A 56 7.224 -4.868 -6.285 1.00 0.00 H new ATOM 0 HG3 LYS A 56 8.163 -3.583 -5.552 1.00 0.00 H new ATOM 0 HD2 LYS A 56 9.602 -5.055 -4.523 1.00 0.00 H new ATOM 0 HD3 LYS A 56 8.302 -6.115 -4.014 1.00 0.00 H new ATOM 0 HE2 LYS A 56 9.214 -5.988 -6.938 1.00 0.00 H new ATOM 0 HE3 LYS A 56 9.944 -7.091 -5.789 1.00 0.00 H new ATOM 0 HZ1 LYS A 56 8.172 -8.389 -6.344 1.00 0.00 H new ATOM 0 HZ2 LYS A 56 7.340 -7.434 -5.214 1.00 0.00 H new ATOM 0 HZ3 LYS A 56 7.227 -7.080 -6.871 1.00 0.00 H new ATOM 840 N LEU A 57 4.158 -2.285 -3.581 1.00 0.00 N ATOM 841 CA LEU A 57 3.129 -1.853 -2.593 1.00 0.00 C ATOM 842 C LEU A 57 1.756 -1.920 -3.261 1.00 0.00 C ATOM 843 O LEU A 57 0.838 -2.551 -2.773 1.00 0.00 O ATOM 844 CB LEU A 57 3.474 -0.406 -2.233 1.00 0.00 C ATOM 845 CG LEU A 57 4.941 -0.292 -1.811 1.00 0.00 C ATOM 846 CD1 LEU A 57 5.279 1.182 -1.598 1.00 0.00 C ATOM 847 CD2 LEU A 57 5.175 -1.054 -0.503 1.00 0.00 C ATOM 0 H LEU A 57 4.765 -1.545 -3.935 1.00 0.00 H new ATOM 0 HA LEU A 57 3.111 -2.482 -1.703 1.00 0.00 H new ATOM 0 HB2 LEU A 57 3.284 0.243 -3.088 1.00 0.00 H new ATOM 0 HB3 LEU A 57 2.829 -0.063 -1.424 1.00 0.00 H new ATOM 0 HG LEU A 57 5.574 -0.718 -2.589 1.00 0.00 H new ATOM 0 HD11 LEU A 57 6.322 1.276 -1.297 1.00 0.00 H new ATOM 0 HD12 LEU A 57 5.118 1.730 -2.526 1.00 0.00 H new ATOM 0 HD13 LEU A 57 4.638 1.593 -0.818 1.00 0.00 H new ATOM 0 HD21 LEU A 57 6.222 -0.966 -0.213 1.00 0.00 H new ATOM 0 HD22 LEU A 57 4.545 -0.634 0.281 1.00 0.00 H new ATOM 0 HD23 LEU A 57 4.925 -2.105 -0.645 1.00 0.00 H new ATOM 859 N THR A 58 1.624 -1.287 -4.396 1.00 0.00 N ATOM 860 CA THR A 58 0.333 -1.323 -5.129 1.00 0.00 C ATOM 861 C THR A 58 0.031 -2.766 -5.515 1.00 0.00 C ATOM 862 O THR A 58 -1.106 -3.147 -5.710 1.00 0.00 O ATOM 863 CB THR A 58 0.558 -0.471 -6.379 1.00 0.00 C ATOM 864 OG1 THR A 58 1.266 0.709 -6.025 1.00 0.00 O ATOM 865 CG2 THR A 58 -0.790 -0.097 -6.995 1.00 0.00 C ATOM 0 H THR A 58 2.361 -0.745 -4.846 1.00 0.00 H new ATOM 0 HA THR A 58 -0.504 -0.949 -4.539 1.00 0.00 H new ATOM 0 HB THR A 58 1.139 -1.038 -7.106 1.00 0.00 H new ATOM 0 HG1 THR A 58 2.107 0.749 -6.527 1.00 0.00 H new ATOM 0 HG21 THR A 58 -0.627 0.510 -7.886 1.00 0.00 H new ATOM 0 HG22 THR A 58 -1.330 -1.004 -7.268 1.00 0.00 H new ATOM 0 HG23 THR A 58 -1.376 0.470 -6.272 1.00 0.00 H new ATOM 873 N LYS A 59 1.053 -3.573 -5.614 1.00 0.00 N ATOM 874 CA LYS A 59 0.844 -5.000 -5.968 1.00 0.00 C ATOM 875 C LYS A 59 0.386 -5.760 -4.726 1.00 0.00 C ATOM 876 O LYS A 59 -0.330 -6.737 -4.814 1.00 0.00 O ATOM 877 CB LYS A 59 2.211 -5.499 -6.439 1.00 0.00 C ATOM 878 CG LYS A 59 2.084 -6.097 -7.842 1.00 0.00 C ATOM 879 CD LYS A 59 3.477 -6.434 -8.381 1.00 0.00 C ATOM 880 CE LYS A 59 3.380 -6.799 -9.864 1.00 0.00 C ATOM 881 NZ LYS A 59 3.473 -8.284 -9.903 1.00 0.00 N ATOM 0 H LYS A 59 2.025 -3.302 -5.464 1.00 0.00 H new ATOM 0 HA LYS A 59 0.085 -5.141 -6.737 1.00 0.00 H new ATOM 0 HB2 LYS A 59 2.927 -4.677 -6.447 1.00 0.00 H new ATOM 0 HB3 LYS A 59 2.594 -6.249 -5.747 1.00 0.00 H new ATOM 0 HG2 LYS A 59 1.467 -6.995 -7.812 1.00 0.00 H new ATOM 0 HG3 LYS A 59 1.586 -5.391 -8.506 1.00 0.00 H new ATOM 0 HD2 LYS A 59 4.145 -5.583 -8.249 1.00 0.00 H new ATOM 0 HD3 LYS A 59 3.904 -7.265 -7.819 1.00 0.00 H new ATOM 0 HE2 LYS A 59 2.441 -6.451 -10.295 1.00 0.00 H new ATOM 0 HE3 LYS A 59 4.184 -6.338 -10.437 1.00 0.00 H new ATOM 0 HZ1 LYS A 59 3.414 -8.610 -10.889 1.00 0.00 H new ATOM 0 HZ2 LYS A 59 4.380 -8.586 -9.492 1.00 0.00 H new ATOM 0 HZ3 LYS A 59 2.691 -8.695 -9.355 1.00 0.00 H new ATOM 895 N ALA A 60 0.783 -5.310 -3.563 1.00 0.00 N ATOM 896 CA ALA A 60 0.352 -6.002 -2.317 1.00 0.00 C ATOM 897 C ALA A 60 -1.152 -5.821 -2.132 1.00 0.00 C ATOM 898 O ALA A 60 -1.870 -6.763 -1.862 1.00 0.00 O ATOM 899 CB ALA A 60 1.126 -5.324 -1.187 1.00 0.00 C ATOM 0 H ALA A 60 1.384 -4.497 -3.425 1.00 0.00 H new ATOM 0 HA ALA A 60 0.550 -7.074 -2.342 1.00 0.00 H new ATOM 0 HB1 ALA A 60 0.858 -5.784 -0.236 1.00 0.00 H new ATOM 0 HB2 ALA A 60 2.196 -5.441 -1.358 1.00 0.00 H new ATOM 0 HB3 ALA A 60 0.876 -4.263 -1.160 1.00 0.00 H new ATOM 905 N THR A 61 -1.645 -4.627 -2.314 1.00 0.00 N ATOM 906 CA THR A 61 -3.112 -4.419 -2.186 1.00 0.00 C ATOM 907 C THR A 61 -3.764 -5.053 -3.400 1.00 0.00 C ATOM 908 O THR A 61 -4.805 -5.679 -3.320 1.00 0.00 O ATOM 909 CB THR A 61 -3.313 -2.909 -2.192 1.00 0.00 C ATOM 910 OG1 THR A 61 -4.680 -2.615 -1.935 1.00 0.00 O ATOM 911 CG2 THR A 61 -2.911 -2.343 -3.555 1.00 0.00 C ATOM 0 H THR A 61 -1.101 -3.795 -2.543 1.00 0.00 H new ATOM 0 HA THR A 61 -3.542 -4.857 -1.285 1.00 0.00 H new ATOM 0 HB THR A 61 -2.693 -2.455 -1.419 1.00 0.00 H new ATOM 0 HG1 THR A 61 -4.845 -1.662 -2.093 1.00 0.00 H new ATOM 0 HG21 THR A 61 -3.056 -1.263 -3.557 1.00 0.00 H new ATOM 0 HG22 THR A 61 -1.862 -2.569 -3.748 1.00 0.00 H new ATOM 0 HG23 THR A 61 -3.528 -2.793 -4.332 1.00 0.00 H new ATOM 919 N ALA A 62 -3.125 -4.920 -4.526 1.00 0.00 N ATOM 920 CA ALA A 62 -3.669 -5.540 -5.751 1.00 0.00 C ATOM 921 C ALA A 62 -3.789 -7.041 -5.507 1.00 0.00 C ATOM 922 O ALA A 62 -4.632 -7.712 -6.069 1.00 0.00 O ATOM 923 CB ALA A 62 -2.647 -5.237 -6.847 1.00 0.00 C ATOM 0 H ALA A 62 -2.251 -4.408 -4.646 1.00 0.00 H new ATOM 0 HA ALA A 62 -4.653 -5.164 -6.031 1.00 0.00 H new ATOM 0 HB1 ALA A 62 -2.985 -5.668 -7.789 1.00 0.00 H new ATOM 0 HB2 ALA A 62 -2.542 -4.158 -6.959 1.00 0.00 H new ATOM 0 HB3 ALA A 62 -1.684 -5.669 -6.576 1.00 0.00 H new ATOM 929 N ASP A 63 -2.954 -7.569 -4.647 1.00 0.00 N ATOM 930 CA ASP A 63 -3.026 -9.020 -4.337 1.00 0.00 C ATOM 931 C ASP A 63 -3.972 -9.241 -3.158 1.00 0.00 C ATOM 932 O ASP A 63 -4.498 -10.319 -2.966 1.00 0.00 O ATOM 933 CB ASP A 63 -1.600 -9.432 -3.973 1.00 0.00 C ATOM 934 CG ASP A 63 -1.383 -10.897 -4.357 1.00 0.00 C ATOM 935 OD1 ASP A 63 -1.396 -11.186 -5.542 1.00 0.00 O ATOM 936 OD2 ASP A 63 -1.211 -11.705 -3.459 1.00 0.00 O ATOM 0 H ASP A 63 -2.228 -7.054 -4.149 1.00 0.00 H new ATOM 0 HA ASP A 63 -3.404 -9.607 -5.174 1.00 0.00 H new ATOM 0 HB2 ASP A 63 -0.882 -8.798 -4.493 1.00 0.00 H new ATOM 0 HB3 ASP A 63 -1.431 -9.295 -2.905 1.00 0.00 H new ATOM 941 N ALA A 64 -4.213 -8.219 -2.376 1.00 0.00 N ATOM 942 CA ALA A 64 -5.146 -8.374 -1.232 1.00 0.00 C ATOM 943 C ALA A 64 -6.562 -8.480 -1.781 1.00 0.00 C ATOM 944 O ALA A 64 -7.477 -8.915 -1.110 1.00 0.00 O ATOM 945 CB ALA A 64 -4.981 -7.100 -0.401 1.00 0.00 C ATOM 0 H ALA A 64 -3.804 -7.291 -2.484 1.00 0.00 H new ATOM 0 HA ALA A 64 -4.948 -9.261 -0.630 1.00 0.00 H new ATOM 0 HB1 ALA A 64 -5.642 -7.142 0.465 1.00 0.00 H new ATOM 0 HB2 ALA A 64 -3.947 -7.016 -0.065 1.00 0.00 H new ATOM 0 HB3 ALA A 64 -5.236 -6.233 -1.010 1.00 0.00 H new ATOM 951 N GLY A 65 -6.744 -8.077 -3.010 1.00 0.00 N ATOM 952 CA GLY A 65 -8.092 -8.143 -3.624 1.00 0.00 C ATOM 953 C GLY A 65 -8.609 -6.727 -3.832 1.00 0.00 C ATOM 954 O GLY A 65 -9.798 -6.482 -3.845 1.00 0.00 O ATOM 0 H GLY A 65 -6.011 -7.704 -3.614 1.00 0.00 H new ATOM 0 HA2 GLY A 65 -8.047 -8.671 -4.576 1.00 0.00 H new ATOM 0 HA3 GLY A 65 -8.772 -8.702 -2.981 1.00 0.00 H new ATOM 958 N TYR A 66 -7.718 -5.790 -3.992 1.00 0.00 N ATOM 959 CA TYR A 66 -8.148 -4.382 -4.190 1.00 0.00 C ATOM 960 C TYR A 66 -7.291 -3.715 -5.271 1.00 0.00 C ATOM 961 O TYR A 66 -6.247 -3.168 -4.976 1.00 0.00 O ATOM 962 CB TYR A 66 -7.914 -3.712 -2.833 1.00 0.00 C ATOM 963 CG TYR A 66 -8.552 -4.535 -1.739 1.00 0.00 C ATOM 964 CD1 TYR A 66 -9.894 -4.910 -1.848 1.00 0.00 C ATOM 965 CD2 TYR A 66 -7.807 -4.916 -0.612 1.00 0.00 C ATOM 966 CE1 TYR A 66 -10.495 -5.669 -0.836 1.00 0.00 C ATOM 967 CE2 TYR A 66 -8.409 -5.675 0.399 1.00 0.00 C ATOM 968 CZ TYR A 66 -9.753 -6.051 0.287 1.00 0.00 C ATOM 969 OH TYR A 66 -10.347 -6.798 1.284 1.00 0.00 O ATOM 0 H TYR A 66 -6.709 -5.940 -3.994 1.00 0.00 H new ATOM 0 HA TYR A 66 -9.185 -4.304 -4.515 1.00 0.00 H new ATOM 0 HB2 TYR A 66 -6.845 -3.610 -2.647 1.00 0.00 H new ATOM 0 HB3 TYR A 66 -8.335 -2.706 -2.836 1.00 0.00 H new ATOM 0 HD1 TYR A 66 -10.468 -4.614 -2.714 1.00 0.00 H new ATOM 0 HD2 TYR A 66 -6.771 -4.624 -0.525 1.00 0.00 H new ATOM 0 HE1 TYR A 66 -11.532 -5.960 -0.922 1.00 0.00 H new ATOM 0 HE2 TYR A 66 -7.836 -5.971 1.266 1.00 0.00 H new ATOM 0 HH TYR A 66 -9.872 -7.650 1.382 1.00 0.00 H new ATOM 979 N PRO A 67 -7.759 -3.772 -6.493 1.00 0.00 N ATOM 980 CA PRO A 67 -7.018 -3.155 -7.614 1.00 0.00 C ATOM 981 C PRO A 67 -6.736 -1.688 -7.293 1.00 0.00 C ATOM 982 O PRO A 67 -7.576 -0.829 -7.473 1.00 0.00 O ATOM 983 CB PRO A 67 -7.995 -3.300 -8.784 1.00 0.00 C ATOM 984 CG PRO A 67 -9.191 -4.155 -8.320 1.00 0.00 C ATOM 985 CD PRO A 67 -9.040 -4.441 -6.818 1.00 0.00 C ATOM 0 HA PRO A 67 -6.049 -3.610 -7.821 1.00 0.00 H new ATOM 0 HB2 PRO A 67 -8.337 -2.320 -9.116 1.00 0.00 H new ATOM 0 HB3 PRO A 67 -7.501 -3.770 -9.634 1.00 0.00 H new ATOM 0 HG2 PRO A 67 -10.127 -3.631 -8.512 1.00 0.00 H new ATOM 0 HG3 PRO A 67 -9.228 -5.089 -8.881 1.00 0.00 H new ATOM 0 HD2 PRO A 67 -9.870 -4.032 -6.241 1.00 0.00 H new ATOM 0 HD3 PRO A 67 -9.004 -5.510 -6.610 1.00 0.00 H new ATOM 993 N SER A 68 -5.569 -1.401 -6.792 1.00 0.00 N ATOM 994 CA SER A 68 -5.243 0.008 -6.429 1.00 0.00 C ATOM 995 C SER A 68 -4.221 0.610 -7.396 1.00 0.00 C ATOM 996 O SER A 68 -3.929 0.062 -8.440 1.00 0.00 O ATOM 997 CB SER A 68 -4.648 -0.084 -5.024 1.00 0.00 C ATOM 998 OG SER A 68 -4.594 1.214 -4.448 1.00 0.00 O ATOM 0 H SER A 68 -4.827 -2.078 -6.618 1.00 0.00 H new ATOM 0 HA SER A 68 -6.123 0.650 -6.475 1.00 0.00 H new ATOM 0 HB2 SER A 68 -5.254 -0.744 -4.403 1.00 0.00 H new ATOM 0 HB3 SER A 68 -3.648 -0.516 -5.068 1.00 0.00 H new ATOM 0 HG SER A 68 -3.659 1.497 -4.366 1.00 0.00 H new ATOM 1004 N SER A 69 -3.674 1.737 -7.035 1.00 0.00 N ATOM 1005 CA SER A 69 -2.664 2.406 -7.890 1.00 0.00 C ATOM 1006 C SER A 69 -1.613 3.032 -6.982 1.00 0.00 C ATOM 1007 O SER A 69 -1.552 2.736 -5.805 1.00 0.00 O ATOM 1008 CB SER A 69 -3.433 3.478 -8.662 1.00 0.00 C ATOM 1009 OG SER A 69 -4.592 2.896 -9.244 1.00 0.00 O ATOM 0 H SER A 69 -3.891 2.228 -6.168 1.00 0.00 H new ATOM 0 HA SER A 69 -2.156 1.727 -8.575 1.00 0.00 H new ATOM 0 HB2 SER A 69 -3.717 4.291 -7.994 1.00 0.00 H new ATOM 0 HB3 SER A 69 -2.800 3.909 -9.437 1.00 0.00 H new ATOM 0 HG SER A 69 -5.089 3.581 -9.739 1.00 0.00 H new ATOM 1015 N VAL A 70 -0.772 3.869 -7.501 1.00 0.00 N ATOM 1016 CA VAL A 70 0.273 4.465 -6.632 1.00 0.00 C ATOM 1017 C VAL A 70 0.549 5.927 -6.990 1.00 0.00 C ATOM 1018 O VAL A 70 0.314 6.362 -8.100 1.00 0.00 O ATOM 1019 CB VAL A 70 1.479 3.576 -6.899 1.00 0.00 C ATOM 1020 CG1 VAL A 70 2.213 4.048 -8.158 1.00 0.00 C ATOM 1021 CG2 VAL A 70 2.431 3.620 -5.703 1.00 0.00 C ATOM 0 H VAL A 70 -0.759 4.166 -8.477 1.00 0.00 H new ATOM 0 HA VAL A 70 -0.011 4.497 -5.580 1.00 0.00 H new ATOM 0 HB VAL A 70 1.135 2.553 -7.050 1.00 0.00 H new ATOM 0 HG11 VAL A 70 3.074 3.405 -8.340 1.00 0.00 H new ATOM 0 HG12 VAL A 70 1.538 4.000 -9.012 1.00 0.00 H new ATOM 0 HG13 VAL A 70 2.550 5.075 -8.019 1.00 0.00 H new ATOM 0 HG21 VAL A 70 3.292 2.982 -5.900 1.00 0.00 H new ATOM 0 HG22 VAL A 70 2.767 4.644 -5.543 1.00 0.00 H new ATOM 0 HG23 VAL A 70 1.913 3.265 -4.812 1.00 0.00 H new ATOM 1031 N LYS A 71 1.049 6.688 -6.049 1.00 0.00 N ATOM 1032 CA LYS A 71 1.340 8.124 -6.336 1.00 0.00 C ATOM 1033 C LYS A 71 2.487 8.622 -5.455 1.00 0.00 C ATOM 1034 O LYS A 71 2.368 9.611 -4.761 1.00 0.00 O ATOM 1035 CB LYS A 71 0.048 8.863 -5.997 1.00 0.00 C ATOM 1036 CG LYS A 71 -0.326 8.584 -4.542 1.00 0.00 C ATOM 1037 CD LYS A 71 -1.813 8.234 -4.454 1.00 0.00 C ATOM 1038 CE LYS A 71 -2.494 9.144 -3.429 1.00 0.00 C ATOM 1039 NZ LYS A 71 -3.327 8.232 -2.596 1.00 0.00 N ATOM 0 H LYS A 71 1.267 6.379 -5.102 1.00 0.00 H new ATOM 0 HA LYS A 71 1.644 8.283 -7.370 1.00 0.00 H new ATOM 0 HB2 LYS A 71 0.177 9.934 -6.153 1.00 0.00 H new ATOM 0 HB3 LYS A 71 -0.755 8.539 -6.659 1.00 0.00 H new ATOM 0 HG2 LYS A 71 0.275 7.763 -4.152 1.00 0.00 H new ATOM 0 HG3 LYS A 71 -0.110 9.457 -3.926 1.00 0.00 H new ATOM 0 HD2 LYS A 71 -2.283 8.353 -5.430 1.00 0.00 H new ATOM 0 HD3 LYS A 71 -1.935 7.190 -4.166 1.00 0.00 H new ATOM 0 HE2 LYS A 71 -1.760 9.673 -2.821 1.00 0.00 H new ATOM 0 HE3 LYS A 71 -3.107 9.901 -3.919 1.00 0.00 H new ATOM 0 HZ1 LYS A 71 -4.210 8.713 -2.332 1.00 0.00 H new ATOM 0 HZ2 LYS A 71 -3.549 7.373 -3.138 1.00 0.00 H new ATOM 0 HZ3 LYS A 71 -2.804 7.973 -1.736 1.00 0.00 H new ATOM 1053 N GLN A 72 3.596 7.942 -5.480 1.00 0.00 N ATOM 1054 CA GLN A 72 4.757 8.369 -4.647 1.00 0.00 C ATOM 1055 C GLN A 72 4.931 9.889 -4.711 1.00 0.00 C ATOM 1056 O GLN A 72 5.120 10.400 -5.803 1.00 0.00 O ATOM 1057 CB GLN A 72 5.966 7.665 -5.264 1.00 0.00 C ATOM 1058 CG GLN A 72 7.168 7.803 -4.328 1.00 0.00 C ATOM 1059 CD GLN A 72 7.844 9.156 -4.560 1.00 0.00 C ATOM 1060 OE1 GLN A 72 8.076 9.558 -5.781 1.00 0.00 O flip ATOM 1061 NE2 GLN A 72 8.164 9.856 -3.620 1.00 0.00 N flip ATOM 1062 OXT GLN A 72 4.873 10.516 -3.666 1.00 0.00 O ATOM 0 H GLN A 72 3.752 7.106 -6.043 1.00 0.00 H new ATOM 0 HA GLN A 72 4.625 8.112 -3.596 1.00 0.00 H new ATOM 0 HB2 GLN A 72 5.741 6.612 -5.431 1.00 0.00 H new ATOM 0 HB3 GLN A 72 6.197 8.100 -6.236 1.00 0.00 H new ATOM 0 HG2 GLN A 72 6.846 7.719 -3.290 1.00 0.00 H new ATOM 0 HG3 GLN A 72 7.877 6.995 -4.508 1.00 0.00 H new ATOM 0 HE21 GLN A 72 7.983 9.543 -2.666 1.00 0.00 H new ATOM 0 HE22 GLN A 72 8.613 10.757 -3.785 1.00 0.00 H new