USER MOD reduce.3.24.130724 H: found=0, std=0, add=496, rem=0, adj=16 USER MOD reduce.3.24.130724 removed 494 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 Single : A 1 MET CE :methyl -126:sc= 0 (180deg=-0.0183) USER MOD Single : A 1 MET N :NH3+ -126:sc= 0 (180deg=-0.00699) USER MOD Single : A 6 SER OG : rot 180:sc= 0 USER MOD Single : A 7 THR OG1 : rot -90:sc= 0.296 USER MOD Single : A 11 MET CE :methyl 166:sc= -0.878 (180deg=-1.41) USER MOD Single : A 17 LYS NZ :NH3+ 162:sc= -0.0826 (180deg=-0.535) USER MOD Single : A 18 LYS NZ :NH3+ 170:sc= 0 (180deg=-0.161) USER MOD Single : A 21 GLN : amide:sc= -0.092 X(o=-0.092,f=0) USER MOD Single : A 26 THR OG1 : rot 180:sc= 0 USER MOD Single : A 27 SER OG : rot 130:sc= 0 USER MOD Single : A 29 SER OG : rot 180:sc= 0 USER MOD Single : A 30 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Single : A 31 GLN : amide:sc= -4.38! C(o=-4.4!,f=-10!) USER MOD Single : A 32 ASN : amide:sc= -0.436 X(o=-0.44,f=-0.35) USER MOD Single : A 35 THR OG1 : rot 180:sc= 0.00172 USER MOD Single : A 37 SER OG : rot 180:sc= 0 USER MOD Single : A 39 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 40 LYS NZ :NH3+ -137:sc= 0.843 (180deg=-1.15) USER MOD Single : A 42 SER OG : rot 180:sc= 0 USER MOD Single : A 46 THR OG1 : rot 180:sc= 0 USER MOD Single : A 50 TYR OH : rot 180:sc= 0 USER MOD Single : A 54 ASN : amide:sc=-0.00999 X(o=-0.01,f=-0.24) USER MOD Single : A 66 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD ----------------------------------------------------------------- ATOM 1 N MET A 1 4.027 2.107 -4.045 1.00 31.42 N ATOM 2 CA MET A 1 3.420 0.854 -3.611 1.00 22.45 C ATOM 3 C MET A 1 3.789 -0.285 -4.556 1.00 22.54 C ATOM 4 O MET A 1 2.918 -0.901 -5.171 1.00 23.14 O ATOM 5 CB MET A 1 1.899 0.998 -3.536 1.00 71.43 C ATOM 6 CG MET A 1 1.420 1.770 -2.318 1.00 3.40 C ATOM 7 SD MET A 1 -0.360 2.056 -2.332 1.00 1.31 S ATOM 8 CE MET A 1 -0.967 0.433 -1.880 1.00 71.14 C ATOM 0 H1 MET A 1 4.571 2.519 -3.260 1.00 31.42 H new ATOM 0 H2 MET A 1 4.661 1.925 -4.849 1.00 31.42 H new ATOM 0 H3 MET A 1 3.282 2.771 -4.336 1.00 31.42 H new ATOM 0 HA MET A 1 3.804 0.618 -2.619 1.00 22.45 H new ATOM 0 HB2 MET A 1 1.545 1.500 -4.436 1.00 71.43 H new ATOM 0 HB3 MET A 1 1.449 0.005 -3.527 1.00 71.43 H new ATOM 0 HG2 MET A 1 1.689 1.220 -1.416 1.00 3.40 H new ATOM 0 HG3 MET A 1 1.938 2.728 -2.273 1.00 3.40 H new ATOM 0 HE1 MET A 1 -1.686 0.093 -2.625 1.00 71.14 H new ATOM 0 HE2 MET A 1 -0.133 -0.268 -1.834 1.00 71.14 H new ATOM 0 HE3 MET A 1 -1.452 0.484 -0.905 1.00 71.14 H new ATOM 18 N ASP A 2 5.084 -0.560 -4.667 1.00 2.05 N ATOM 19 CA ASP A 2 5.568 -1.626 -5.536 1.00 41.24 C ATOM 20 C ASP A 2 6.762 -2.339 -4.909 1.00 41.25 C ATOM 21 O ASP A 2 7.315 -1.882 -3.908 1.00 75.03 O ATOM 22 CB ASP A 2 5.956 -1.061 -6.904 1.00 10.33 C ATOM 23 CG ASP A 2 5.234 -1.753 -8.042 1.00 74.25 C ATOM 24 OD1 ASP A 2 5.396 -2.983 -8.188 1.00 34.24 O ATOM 25 OD2 ASP A 2 4.506 -1.066 -8.788 1.00 55.51 O ATOM 0 H ASP A 2 5.818 -0.059 -4.166 1.00 2.05 H new ATOM 0 HA ASP A 2 4.763 -2.349 -5.665 1.00 41.24 H new ATOM 0 HB2 ASP A 2 5.732 0.005 -6.930 1.00 10.33 H new ATOM 0 HB3 ASP A 2 7.032 -1.164 -7.044 1.00 10.33 H new ATOM 30 N ILE A 3 7.154 -3.460 -5.504 1.00 70.54 N ATOM 31 CA ILE A 3 8.282 -4.236 -5.004 1.00 61.10 C ATOM 32 C ILE A 3 9.608 -3.633 -5.456 1.00 14.42 C ATOM 33 O ILE A 3 9.649 -2.820 -6.380 1.00 13.03 O ATOM 34 CB ILE A 3 8.211 -5.701 -5.474 1.00 50.13 C ATOM 35 CG1 ILE A 3 6.758 -6.180 -5.503 1.00 23.33 C ATOM 36 CG2 ILE A 3 9.050 -6.589 -4.568 1.00 61.42 C ATOM 37 CD1 ILE A 3 6.144 -6.164 -6.885 1.00 35.13 C ATOM 0 H ILE A 3 6.707 -3.851 -6.333 1.00 70.54 H new ATOM 0 HA ILE A 3 8.225 -4.209 -3.916 1.00 61.10 H new ATOM 0 HB ILE A 3 8.614 -5.763 -6.485 1.00 50.13 H new ATOM 0 HG12 ILE A 3 6.710 -7.193 -5.105 1.00 23.33 H new ATOM 0 HG13 ILE A 3 6.163 -5.549 -4.843 1.00 23.33 H new ATOM 0 HG21 ILE A 3 8.990 -7.621 -4.913 1.00 61.42 H new ATOM 0 HG22 ILE A 3 10.088 -6.258 -4.594 1.00 61.42 H new ATOM 0 HG23 ILE A 3 8.674 -6.525 -3.547 1.00 61.42 H new ATOM 0 HD11 ILE A 3 5.114 -6.516 -6.830 1.00 35.13 H new ATOM 0 HD12 ILE A 3 6.160 -5.148 -7.278 1.00 35.13 H new ATOM 0 HD13 ILE A 3 6.715 -6.817 -7.545 1.00 35.13 H new ATOM 49 N ASP A 4 10.690 -4.037 -4.799 1.00 55.15 N ATOM 50 CA ASP A 4 12.018 -3.539 -5.135 1.00 43.52 C ATOM 51 C ASP A 4 12.577 -4.262 -6.356 1.00 44.24 C ATOM 52 O ASP A 4 13.639 -3.907 -6.869 1.00 25.55 O ATOM 53 CB ASP A 4 12.966 -3.710 -3.947 1.00 71.31 C ATOM 54 CG ASP A 4 12.577 -2.843 -2.766 1.00 34.31 C ATOM 55 OD1 ASP A 4 11.430 -2.973 -2.287 1.00 4.32 O ATOM 56 OD2 ASP A 4 13.418 -2.036 -2.320 1.00 63.10 O ATOM 0 H ASP A 4 10.673 -4.708 -4.031 1.00 55.15 H new ATOM 0 HA ASP A 4 11.932 -2.478 -5.371 1.00 43.52 H new ATOM 0 HB2 ASP A 4 12.973 -4.756 -3.639 1.00 71.31 H new ATOM 0 HB3 ASP A 4 13.981 -3.462 -4.257 1.00 71.31 H new ATOM 61 N PHE A 5 11.856 -5.278 -6.818 1.00 12.12 N ATOM 62 CA PHE A 5 12.281 -6.053 -7.978 1.00 13.13 C ATOM 63 C PHE A 5 11.843 -5.377 -9.274 1.00 10.44 C ATOM 64 O PHE A 5 12.182 -5.828 -10.367 1.00 71.33 O ATOM 65 CB PHE A 5 11.706 -7.469 -7.909 1.00 65.53 C ATOM 66 CG PHE A 5 12.205 -8.372 -9.002 1.00 12.31 C ATOM 67 CD1 PHE A 5 11.326 -8.913 -9.926 1.00 31.52 C ATOM 68 CD2 PHE A 5 13.552 -8.678 -9.105 1.00 21.34 C ATOM 69 CE1 PHE A 5 11.781 -9.744 -10.933 1.00 2.22 C ATOM 70 CE2 PHE A 5 14.013 -9.508 -10.110 1.00 2.55 C ATOM 71 CZ PHE A 5 13.127 -10.042 -11.024 1.00 14.10 C ATOM 0 H PHE A 5 10.974 -5.584 -6.407 1.00 12.12 H new ATOM 0 HA PHE A 5 13.370 -6.109 -7.968 1.00 13.13 H new ATOM 0 HB2 PHE A 5 11.957 -7.908 -6.943 1.00 65.53 H new ATOM 0 HB3 PHE A 5 10.619 -7.414 -7.962 1.00 65.53 H new ATOM 0 HD1 PHE A 5 10.273 -8.683 -9.859 1.00 31.52 H new ATOM 0 HD2 PHE A 5 14.250 -8.264 -8.392 1.00 21.34 H new ATOM 0 HE1 PHE A 5 11.085 -10.159 -11.647 1.00 2.22 H new ATOM 0 HE2 PHE A 5 15.066 -9.738 -10.180 1.00 2.55 H new ATOM 0 HZ PHE A 5 13.485 -10.692 -11.809 1.00 14.10 H new ATOM 81 N SER A 6 11.087 -4.291 -9.142 1.00 22.24 N ATOM 82 CA SER A 6 10.599 -3.554 -10.301 1.00 73.22 C ATOM 83 C SER A 6 10.086 -2.176 -9.893 1.00 22.41 C ATOM 84 O SER A 6 8.965 -2.038 -9.402 1.00 43.40 O ATOM 85 CB SER A 6 9.486 -4.339 -10.999 1.00 13.32 C ATOM 86 OG SER A 6 8.659 -4.998 -10.056 1.00 34.21 O ATOM 0 H SER A 6 10.800 -3.903 -8.244 1.00 22.24 H new ATOM 0 HA SER A 6 11.431 -3.422 -10.993 1.00 73.22 H new ATOM 0 HB2 SER A 6 8.884 -3.662 -11.605 1.00 13.32 H new ATOM 0 HB3 SER A 6 9.924 -5.071 -11.678 1.00 13.32 H new ATOM 0 HG SER A 6 7.955 -5.491 -10.527 1.00 34.21 H new ATOM 92 N THR A 7 10.916 -1.158 -10.099 1.00 72.22 N ATOM 93 CA THR A 7 10.549 0.209 -9.752 1.00 60.13 C ATOM 94 C THR A 7 11.483 1.214 -10.416 1.00 3.10 C ATOM 95 O THR A 7 11.668 2.326 -9.921 1.00 4.24 O ATOM 96 CB THR A 7 10.577 0.428 -8.228 1.00 13.31 C ATOM 97 OG1 THR A 7 10.814 -0.815 -7.558 1.00 74.02 O ATOM 98 CG2 THR A 7 9.266 1.029 -7.744 1.00 13.22 C ATOM 0 H THR A 7 11.847 -1.255 -10.504 1.00 72.22 H new ATOM 0 HA THR A 7 9.533 0.366 -10.115 1.00 60.13 H new ATOM 0 HB THR A 7 11.384 1.123 -7.998 1.00 13.31 H new ATOM 0 HG1 THR A 7 9.958 -1.254 -7.371 1.00 74.02 H new ATOM 0 HG21 THR A 7 9.309 1.175 -6.665 1.00 13.22 H new ATOM 0 HG22 THR A 7 9.103 1.989 -8.234 1.00 13.22 H new ATOM 0 HG23 THR A 7 8.445 0.354 -7.987 1.00 13.22 H new ATOM 106 N CYS A 8 12.070 0.817 -11.540 1.00 71.22 N ATOM 107 CA CYS A 8 12.985 1.683 -12.273 1.00 64.00 C ATOM 108 C CYS A 8 12.712 1.619 -13.773 1.00 34.11 C ATOM 109 O CYS A 8 12.149 0.644 -14.270 1.00 52.24 O ATOM 110 CB CYS A 8 14.435 1.283 -11.990 1.00 51.25 C ATOM 111 SG CYS A 8 15.641 2.621 -12.262 1.00 24.13 S ATOM 0 H CYS A 8 11.928 -0.100 -11.963 1.00 71.22 H new ATOM 0 HA CYS A 8 12.824 2.707 -11.936 1.00 64.00 H new ATOM 0 HB2 CYS A 8 14.512 0.943 -10.957 1.00 51.25 H new ATOM 0 HB3 CYS A 8 14.698 0.437 -12.625 1.00 51.25 H new ATOM 116 N ALA A 9 13.114 2.665 -14.487 1.00 64.44 N ATOM 117 CA ALA A 9 12.915 2.727 -15.930 1.00 30.40 C ATOM 118 C ALA A 9 13.824 1.739 -16.653 1.00 24.32 C ATOM 119 O ALA A 9 13.645 1.470 -17.841 1.00 1.32 O ATOM 120 CB ALA A 9 13.160 4.140 -16.436 1.00 51.34 C ATOM 0 H ALA A 9 13.579 3.481 -14.090 1.00 64.44 H new ATOM 0 HA ALA A 9 11.882 2.451 -16.141 1.00 30.40 H new ATOM 0 HB1 ALA A 9 13.008 4.172 -17.515 1.00 51.34 H new ATOM 0 HB2 ALA A 9 12.465 4.826 -15.951 1.00 51.34 H new ATOM 0 HB3 ALA A 9 14.183 4.437 -16.205 1.00 51.34 H new ATOM 126 N ARG A 10 14.801 1.201 -15.929 1.00 13.33 N ATOM 127 CA ARG A 10 15.739 0.245 -16.502 1.00 64.51 C ATOM 128 C ARG A 10 15.222 -1.183 -16.349 1.00 41.15 C ATOM 129 O ARG A 10 15.970 -2.146 -16.519 1.00 14.31 O ATOM 130 CB ARG A 10 17.108 0.377 -15.832 1.00 63.42 C ATOM 131 CG ARG A 10 17.609 1.809 -15.747 1.00 10.21 C ATOM 132 CD ARG A 10 17.860 2.395 -17.128 1.00 21.33 C ATOM 133 NE ARG A 10 19.230 2.880 -17.276 1.00 15.24 N ATOM 134 CZ ARG A 10 19.656 4.037 -16.782 1.00 43.33 C ATOM 135 NH1 ARG A 10 18.825 4.823 -16.112 1.00 52.24 N ATOM 136 NH2 ARG A 10 20.918 4.410 -16.958 1.00 54.12 N ATOM 0 H ARG A 10 14.963 1.412 -14.944 1.00 13.33 H new ATOM 0 HA ARG A 10 15.839 0.465 -17.565 1.00 64.51 H new ATOM 0 HB2 ARG A 10 17.053 -0.040 -14.826 1.00 63.42 H new ATOM 0 HB3 ARG A 10 17.833 -0.220 -16.385 1.00 63.42 H new ATOM 0 HG2 ARG A 10 16.878 2.421 -15.219 1.00 10.21 H new ATOM 0 HG3 ARG A 10 18.530 1.839 -15.165 1.00 10.21 H new ATOM 0 HD2 ARG A 10 17.660 1.637 -17.885 1.00 21.33 H new ATOM 0 HD3 ARG A 10 17.164 3.215 -17.306 1.00 21.33 H new ATOM 0 HE ARG A 10 19.895 2.299 -17.786 1.00 15.24 H new ATOM 0 HH11 ARG A 10 17.855 4.540 -15.974 1.00 52.24 H new ATOM 0 HH12 ARG A 10 19.156 5.711 -15.734 1.00 52.24 H new ATOM 0 HH21 ARG A 10 21.561 3.808 -17.473 1.00 54.12 H new ATOM 0 HH22 ARG A 10 21.245 5.299 -16.579 1.00 54.12 H new ATOM 150 N MET A 11 13.939 -1.311 -16.028 1.00 11.50 N ATOM 151 CA MET A 11 13.322 -2.620 -15.853 1.00 71.32 C ATOM 152 C MET A 11 13.285 -3.384 -17.173 1.00 32.21 C ATOM 153 O MET A 11 14.065 -4.313 -17.386 1.00 12.34 O ATOM 154 CB MET A 11 11.905 -2.470 -15.297 1.00 55.14 C ATOM 155 CG MET A 11 11.860 -2.274 -13.791 1.00 21.13 C ATOM 156 SD MET A 11 10.219 -1.820 -13.197 1.00 42.13 S ATOM 157 CE MET A 11 9.200 -2.989 -14.093 1.00 53.22 C ATOM 0 H MET A 11 13.306 -0.524 -15.884 1.00 11.50 H new ATOM 0 HA MET A 11 13.925 -3.186 -15.143 1.00 71.32 H new ATOM 0 HB2 MET A 11 11.422 -1.621 -15.780 1.00 55.14 H new ATOM 0 HB3 MET A 11 11.326 -3.356 -15.557 1.00 55.14 H new ATOM 0 HG2 MET A 11 12.178 -3.193 -13.299 1.00 21.13 H new ATOM 0 HG3 MET A 11 12.572 -1.498 -13.508 1.00 21.13 H new ATOM 0 HE1 MET A 11 8.201 -3.009 -13.658 1.00 53.22 H new ATOM 0 HE2 MET A 11 9.135 -2.688 -15.139 1.00 53.22 H new ATOM 0 HE3 MET A 11 9.643 -3.983 -14.028 1.00 53.22 H new ATOM 167 N ASP A 12 12.374 -2.988 -18.055 1.00 43.13 N ATOM 168 CA ASP A 12 12.236 -3.635 -19.355 1.00 24.12 C ATOM 169 C ASP A 12 11.585 -2.694 -20.364 1.00 22.51 C ATOM 170 O ASP A 12 11.972 -2.656 -21.532 1.00 71.11 O ATOM 171 CB ASP A 12 11.410 -4.916 -19.226 1.00 1.45 C ATOM 172 CG ASP A 12 11.977 -6.056 -20.048 1.00 21.00 C ATOM 173 OD1 ASP A 12 11.361 -6.411 -21.075 1.00 43.42 O ATOM 174 OD2 ASP A 12 13.037 -6.593 -19.665 1.00 21.31 O ATOM 0 H ASP A 12 11.720 -2.222 -17.894 1.00 43.13 H new ATOM 0 HA ASP A 12 13.233 -3.890 -19.714 1.00 24.12 H new ATOM 0 HB2 ASP A 12 11.368 -5.214 -18.178 1.00 1.45 H new ATOM 0 HB3 ASP A 12 10.386 -4.718 -19.543 1.00 1.45 H new ATOM 179 N VAL A 13 10.593 -1.937 -19.905 1.00 64.43 N ATOM 180 CA VAL A 13 9.888 -0.997 -20.768 1.00 0.25 C ATOM 181 C VAL A 13 10.222 0.444 -20.398 1.00 44.14 C ATOM 182 O VAL A 13 9.488 1.111 -19.670 1.00 15.02 O ATOM 183 CB VAL A 13 8.363 -1.195 -20.686 1.00 31.44 C ATOM 184 CG1 VAL A 13 7.902 -1.200 -19.236 1.00 71.51 C ATOM 185 CG2 VAL A 13 7.642 -0.116 -21.479 1.00 61.11 C ATOM 0 H VAL A 13 10.260 -1.957 -18.941 1.00 64.43 H new ATOM 0 HA VAL A 13 10.218 -1.194 -21.788 1.00 0.25 H new ATOM 0 HB VAL A 13 8.116 -2.162 -21.124 1.00 31.44 H new ATOM 0 HG11 VAL A 13 6.822 -1.341 -19.198 1.00 71.51 H new ATOM 0 HG12 VAL A 13 8.393 -2.013 -18.701 1.00 71.51 H new ATOM 0 HG13 VAL A 13 8.160 -0.250 -18.769 1.00 71.51 H new ATOM 0 HG21 VAL A 13 6.565 -0.272 -21.410 1.00 61.11 H new ATOM 0 HG22 VAL A 13 7.894 0.864 -21.073 1.00 61.11 H new ATOM 0 HG23 VAL A 13 7.949 -0.166 -22.524 1.00 61.11 H new ATOM 195 N PRO A 14 11.358 0.938 -20.913 1.00 4.23 N ATOM 196 CA PRO A 14 11.816 2.306 -20.652 1.00 2.13 C ATOM 197 C PRO A 14 10.938 3.351 -21.332 1.00 65.01 C ATOM 198 O PRO A 14 11.096 4.551 -21.104 1.00 34.20 O ATOM 199 CB PRO A 14 13.228 2.327 -21.243 1.00 70.41 C ATOM 200 CG PRO A 14 13.215 1.268 -22.291 1.00 21.20 C ATOM 201 CD PRO A 14 12.283 0.200 -21.789 1.00 61.21 C ATOM 0 HA PRO A 14 11.780 2.552 -19.591 1.00 2.13 H new ATOM 0 HB2 PRO A 14 13.465 3.302 -21.668 1.00 70.41 H new ATOM 0 HB3 PRO A 14 13.979 2.121 -20.481 1.00 70.41 H new ATOM 0 HG2 PRO A 14 12.872 1.668 -23.245 1.00 21.20 H new ATOM 0 HG3 PRO A 14 14.216 0.868 -22.454 1.00 21.20 H new ATOM 0 HD2 PRO A 14 11.756 -0.290 -22.607 1.00 61.21 H new ATOM 0 HD3 PRO A 14 12.819 -0.577 -21.244 1.00 61.21 H new ATOM 209 N ILE A 15 10.015 2.888 -22.167 1.00 72.34 N ATOM 210 CA ILE A 15 9.111 3.783 -22.879 1.00 43.13 C ATOM 211 C ILE A 15 8.445 4.766 -21.923 1.00 0.22 C ATOM 212 O ILE A 15 8.123 5.894 -22.299 1.00 4.22 O ATOM 213 CB ILE A 15 8.021 3.000 -23.634 1.00 22.51 C ATOM 214 CG1 ILE A 15 8.658 2.033 -24.635 1.00 34.23 C ATOM 215 CG2 ILE A 15 7.075 3.957 -24.343 1.00 1.34 C ATOM 216 CD1 ILE A 15 8.023 0.660 -24.636 1.00 21.33 C ATOM 0 H ILE A 15 9.873 1.898 -22.368 1.00 72.34 H new ATOM 0 HA ILE A 15 9.716 4.333 -23.600 1.00 43.13 H new ATOM 0 HB ILE A 15 7.446 2.420 -22.912 1.00 22.51 H new ATOM 0 HG12 ILE A 15 8.586 2.459 -25.636 1.00 34.23 H new ATOM 0 HG13 ILE A 15 9.719 1.934 -24.407 1.00 34.23 H new ATOM 0 HG21 ILE A 15 6.311 3.388 -24.872 1.00 1.34 H new ATOM 0 HG22 ILE A 15 6.600 4.609 -23.610 1.00 1.34 H new ATOM 0 HG23 ILE A 15 7.636 4.561 -25.056 1.00 1.34 H new ATOM 0 HD11 ILE A 15 8.524 0.028 -25.369 1.00 21.33 H new ATOM 0 HD12 ILE A 15 8.119 0.214 -23.646 1.00 21.33 H new ATOM 0 HD13 ILE A 15 6.968 0.747 -24.894 1.00 21.33 H new ATOM 228 N LEU A 16 8.242 4.332 -20.684 1.00 11.01 N ATOM 229 CA LEU A 16 7.615 5.174 -19.671 1.00 43.50 C ATOM 230 C LEU A 16 8.551 5.387 -18.485 1.00 53.41 C ATOM 231 O LEU A 16 8.227 5.028 -17.353 1.00 3.12 O ATOM 232 CB LEU A 16 6.305 4.545 -19.195 1.00 70.20 C ATOM 233 CG LEU A 16 5.085 4.778 -20.087 1.00 2.40 C ATOM 234 CD1 LEU A 16 4.547 3.457 -20.613 1.00 24.42 C ATOM 235 CD2 LEU A 16 4.004 5.531 -19.325 1.00 51.04 C ATOM 0 H LEU A 16 8.502 3.402 -20.357 1.00 11.01 H new ATOM 0 HA LEU A 16 7.402 6.144 -20.121 1.00 43.50 H new ATOM 0 HB2 LEU A 16 6.457 3.470 -19.095 1.00 70.20 H new ATOM 0 HB3 LEU A 16 6.081 4.930 -18.200 1.00 70.20 H new ATOM 0 HG LEU A 16 5.392 5.385 -20.938 1.00 2.40 H new ATOM 0 HD11 LEU A 16 3.679 3.644 -21.246 1.00 24.42 H new ATOM 0 HD12 LEU A 16 5.320 2.956 -21.196 1.00 24.42 H new ATOM 0 HD13 LEU A 16 4.256 2.823 -19.775 1.00 24.42 H new ATOM 0 HD21 LEU A 16 3.143 5.688 -19.975 1.00 51.04 H new ATOM 0 HD22 LEU A 16 3.700 4.949 -18.455 1.00 51.04 H new ATOM 0 HD23 LEU A 16 4.393 6.495 -18.999 1.00 51.04 H new ATOM 247 N LYS A 17 9.712 5.976 -18.752 1.00 54.02 N ATOM 248 CA LYS A 17 10.694 6.241 -17.708 1.00 13.04 C ATOM 249 C LYS A 17 10.089 7.091 -16.595 1.00 13.11 C ATOM 250 O LYS A 17 10.357 6.869 -15.414 1.00 33.20 O ATOM 251 CB LYS A 17 11.917 6.948 -18.296 1.00 53.04 C ATOM 252 CG LYS A 17 12.716 6.083 -19.255 1.00 24.20 C ATOM 253 CD LYS A 17 14.196 6.089 -18.909 1.00 61.43 C ATOM 254 CE LYS A 17 14.926 4.925 -19.562 1.00 74.25 C ATOM 255 NZ LYS A 17 16.362 4.881 -19.171 1.00 72.43 N ATOM 0 H LYS A 17 9.996 6.279 -19.684 1.00 54.02 H new ATOM 0 HA LYS A 17 11.003 5.285 -17.285 1.00 13.04 H new ATOM 0 HB2 LYS A 17 11.590 7.848 -18.817 1.00 53.04 H new ATOM 0 HB3 LYS A 17 12.567 7.269 -17.482 1.00 53.04 H new ATOM 0 HG2 LYS A 17 12.338 5.061 -19.225 1.00 24.20 H new ATOM 0 HG3 LYS A 17 12.578 6.445 -20.274 1.00 24.20 H new ATOM 0 HD2 LYS A 17 14.643 7.029 -19.234 1.00 61.43 H new ATOM 0 HD3 LYS A 17 14.318 6.036 -17.827 1.00 61.43 H new ATOM 0 HE2 LYS A 17 14.444 3.989 -19.279 1.00 74.25 H new ATOM 0 HE3 LYS A 17 14.847 5.009 -20.646 1.00 74.25 H new ATOM 0 HZ1 LYS A 17 16.748 3.937 -19.373 1.00 72.43 H new ATOM 0 HZ2 LYS A 17 16.891 5.594 -19.712 1.00 72.43 H new ATOM 0 HZ3 LYS A 17 16.451 5.081 -18.154 1.00 72.43 H new ATOM 269 N LYS A 18 9.270 8.065 -16.979 1.00 22.30 N ATOM 270 CA LYS A 18 8.624 8.947 -16.014 1.00 63.14 C ATOM 271 C LYS A 18 7.773 8.149 -15.032 1.00 22.21 C ATOM 272 O LYS A 18 7.699 8.480 -13.849 1.00 54.32 O ATOM 273 CB LYS A 18 7.755 9.978 -16.738 1.00 1.23 C ATOM 274 CG LYS A 18 8.090 11.415 -16.378 1.00 11.31 C ATOM 275 CD LYS A 18 9.225 11.954 -17.232 1.00 24.01 C ATOM 276 CE LYS A 18 9.084 13.450 -17.467 1.00 44.04 C ATOM 277 NZ LYS A 18 8.917 14.199 -16.191 1.00 45.12 N ATOM 0 H LYS A 18 9.038 8.263 -17.952 1.00 22.30 H new ATOM 0 HA LYS A 18 9.403 9.465 -15.454 1.00 63.14 H new ATOM 0 HB2 LYS A 18 7.869 9.846 -17.814 1.00 1.23 H new ATOM 0 HB3 LYS A 18 6.708 9.788 -16.503 1.00 1.23 H new ATOM 0 HG2 LYS A 18 7.206 12.039 -16.510 1.00 11.31 H new ATOM 0 HG3 LYS A 18 8.367 11.472 -15.325 1.00 11.31 H new ATOM 0 HD2 LYS A 18 10.178 11.750 -16.744 1.00 24.01 H new ATOM 0 HD3 LYS A 18 9.240 11.434 -18.190 1.00 24.01 H new ATOM 0 HE2 LYS A 18 9.965 13.820 -17.992 1.00 44.04 H new ATOM 0 HE3 LYS A 18 8.226 13.637 -18.113 1.00 44.04 H new ATOM 0 HZ1 LYS A 18 8.994 15.220 -16.375 1.00 45.12 H new ATOM 0 HZ2 LYS A 18 7.982 13.990 -15.785 1.00 45.12 H new ATOM 0 HZ3 LYS A 18 9.658 13.911 -15.520 1.00 45.12 H new ATOM 291 N ALA A 19 7.134 7.095 -15.530 1.00 3.03 N ATOM 292 CA ALA A 19 6.292 6.248 -14.695 1.00 32.13 C ATOM 293 C ALA A 19 7.130 5.438 -13.712 1.00 4.35 C ATOM 294 O ALA A 19 6.811 5.361 -12.526 1.00 31.33 O ATOM 295 CB ALA A 19 5.451 5.322 -15.561 1.00 53.31 C ATOM 0 H ALA A 19 7.184 6.808 -16.507 1.00 3.03 H new ATOM 0 HA ALA A 19 5.628 6.894 -14.120 1.00 32.13 H new ATOM 0 HB1 ALA A 19 4.827 4.695 -14.924 1.00 53.31 H new ATOM 0 HB2 ALA A 19 4.817 5.916 -16.219 1.00 53.31 H new ATOM 0 HB3 ALA A 19 6.106 4.691 -16.161 1.00 53.31 H new ATOM 301 N ALA A 20 8.204 4.836 -14.213 1.00 1.25 N ATOM 302 CA ALA A 20 9.089 4.033 -13.378 1.00 1.53 C ATOM 303 C ALA A 20 9.800 4.898 -12.342 1.00 32.33 C ATOM 304 O ALA A 20 9.862 4.545 -11.164 1.00 63.03 O ATOM 305 CB ALA A 20 10.104 3.298 -14.240 1.00 20.52 C ATOM 0 H ALA A 20 8.482 4.889 -15.193 1.00 1.25 H new ATOM 0 HA ALA A 20 8.481 3.300 -12.847 1.00 1.53 H new ATOM 0 HB1 ALA A 20 10.758 2.702 -13.604 1.00 20.52 H new ATOM 0 HB2 ALA A 20 9.582 2.643 -14.938 1.00 20.52 H new ATOM 0 HB3 ALA A 20 10.700 4.021 -14.797 1.00 20.52 H new ATOM 311 N GLN A 21 10.334 6.030 -12.788 1.00 63.34 N ATOM 312 CA GLN A 21 11.042 6.943 -11.899 1.00 30.11 C ATOM 313 C GLN A 21 10.089 7.558 -10.880 1.00 33.15 C ATOM 314 O GLN A 21 10.488 7.896 -9.766 1.00 61.40 O ATOM 315 CB GLN A 21 11.726 8.047 -12.706 1.00 51.45 C ATOM 316 CG GLN A 21 13.229 7.865 -12.836 1.00 24.43 C ATOM 317 CD GLN A 21 13.833 8.739 -13.917 1.00 11.32 C ATOM 318 OE1 GLN A 21 14.731 9.540 -13.654 1.00 62.45 O ATOM 319 NE2 GLN A 21 13.342 8.591 -15.142 1.00 34.05 N ATOM 0 H GLN A 21 10.290 6.337 -13.760 1.00 63.34 H new ATOM 0 HA GLN A 21 11.800 6.373 -11.363 1.00 30.11 H new ATOM 0 HB2 GLN A 21 11.286 8.083 -13.702 1.00 51.45 H new ATOM 0 HB3 GLN A 21 11.525 9.008 -12.234 1.00 51.45 H new ATOM 0 HG2 GLN A 21 13.703 8.095 -11.882 1.00 24.43 H new ATOM 0 HG3 GLN A 21 13.447 6.820 -13.056 1.00 24.43 H new ATOM 0 HE21 GLN A 21 12.598 7.915 -15.315 1.00 34.05 H new ATOM 0 HE22 GLN A 21 13.709 9.153 -15.910 1.00 34.05 H new ATOM 328 N GLY A 22 8.825 7.701 -11.269 1.00 4.01 N ATOM 329 CA GLY A 22 7.835 8.276 -10.377 1.00 70.15 C ATOM 330 C GLY A 22 7.756 7.547 -9.051 1.00 24.12 C ATOM 331 O GLY A 22 7.416 8.141 -8.027 1.00 34.32 O ATOM 0 H GLY A 22 8.470 7.429 -12.186 1.00 4.01 H new ATOM 0 HA2 GLY A 22 8.077 9.324 -10.198 1.00 70.15 H new ATOM 0 HA3 GLY A 22 6.858 8.252 -10.860 1.00 70.15 H new ATOM 335 N LEU A 23 8.071 6.256 -9.067 1.00 54.33 N ATOM 336 CA LEU A 23 8.033 5.444 -7.856 1.00 54.02 C ATOM 337 C LEU A 23 9.200 5.784 -6.935 1.00 40.43 C ATOM 338 O LEU A 23 9.376 5.167 -5.884 1.00 40.43 O ATOM 339 CB LEU A 23 8.067 3.957 -8.214 1.00 43.33 C ATOM 340 CG LEU A 23 6.807 3.396 -8.874 1.00 1.21 C ATOM 341 CD1 LEU A 23 7.131 2.830 -10.248 1.00 14.21 C ATOM 342 CD2 LEU A 23 6.173 2.331 -7.992 1.00 33.40 C ATOM 0 H LEU A 23 8.356 5.749 -9.905 1.00 54.33 H new ATOM 0 HA LEU A 23 7.104 5.664 -7.330 1.00 54.02 H new ATOM 0 HB2 LEU A 23 8.911 3.784 -8.882 1.00 43.33 H new ATOM 0 HB3 LEU A 23 8.260 3.389 -7.304 1.00 43.33 H new ATOM 0 HG LEU A 23 6.092 4.209 -8.999 1.00 1.21 H new ATOM 0 HD11 LEU A 23 6.222 2.435 -10.702 1.00 14.21 H new ATOM 0 HD12 LEU A 23 7.539 3.619 -10.879 1.00 14.21 H new ATOM 0 HD13 LEU A 23 7.864 2.029 -10.148 1.00 14.21 H new ATOM 0 HD21 LEU A 23 5.277 1.943 -8.477 1.00 33.40 H new ATOM 0 HD22 LEU A 23 6.882 1.518 -7.836 1.00 33.40 H new ATOM 0 HD23 LEU A 23 5.904 2.768 -7.030 1.00 33.40 H new ATOM 354 N CYS A 24 9.994 6.771 -7.336 1.00 4.52 N ATOM 355 CA CYS A 24 11.144 7.196 -6.547 1.00 3.22 C ATOM 356 C CYS A 24 11.024 8.667 -6.158 1.00 32.11 C ATOM 357 O CYS A 24 11.133 9.020 -4.983 1.00 64.32 O ATOM 358 CB CYS A 24 12.439 6.969 -7.330 1.00 73.20 C ATOM 359 SG CYS A 24 13.623 5.860 -6.503 1.00 24.44 S ATOM 0 H CYS A 24 9.862 7.292 -8.203 1.00 4.52 H new ATOM 0 HA CYS A 24 11.168 6.598 -5.636 1.00 3.22 H new ATOM 0 HB2 CYS A 24 12.192 6.555 -8.308 1.00 73.20 H new ATOM 0 HB3 CYS A 24 12.920 7.932 -7.503 1.00 73.20 H new ATOM 364 N ILE A 25 10.798 9.519 -7.152 1.00 13.22 N ATOM 365 CA ILE A 25 10.661 10.951 -6.914 1.00 30.33 C ATOM 366 C ILE A 25 9.396 11.257 -6.118 1.00 45.45 C ATOM 367 O ILE A 25 9.429 12.009 -5.144 1.00 1.43 O ATOM 368 CB ILE A 25 10.627 11.741 -8.235 1.00 71.44 C ATOM 369 CG1 ILE A 25 11.899 11.478 -9.045 1.00 35.22 C ATOM 370 CG2 ILE A 25 10.466 13.228 -7.959 1.00 40.15 C ATOM 371 CD1 ILE A 25 11.741 10.387 -10.081 1.00 54.31 C ATOM 0 H ILE A 25 10.706 9.243 -8.130 1.00 13.22 H new ATOM 0 HA ILE A 25 11.534 11.260 -6.339 1.00 30.33 H new ATOM 0 HB ILE A 25 9.771 11.405 -8.820 1.00 71.44 H new ATOM 0 HG12 ILE A 25 12.200 12.400 -9.543 1.00 35.22 H new ATOM 0 HG13 ILE A 25 12.705 11.206 -8.363 1.00 35.22 H new ATOM 0 HG21 ILE A 25 10.444 13.773 -8.903 1.00 40.15 H new ATOM 0 HG22 ILE A 25 9.535 13.399 -7.419 1.00 40.15 H new ATOM 0 HG23 ILE A 25 11.304 13.579 -7.357 1.00 40.15 H new ATOM 0 HD11 ILE A 25 12.681 10.255 -10.617 1.00 54.31 H new ATOM 0 HD12 ILE A 25 11.470 9.453 -9.588 1.00 54.31 H new ATOM 0 HD13 ILE A 25 10.958 10.665 -10.786 1.00 54.31 H new ATOM 383 N THR A 26 8.281 10.669 -6.540 1.00 25.42 N ATOM 384 CA THR A 26 7.006 10.878 -5.867 1.00 74.32 C ATOM 385 C THR A 26 6.930 10.080 -4.571 1.00 23.15 C ATOM 386 O THR A 26 6.376 10.546 -3.575 1.00 4.00 O ATOM 387 CB THR A 26 5.823 10.481 -6.770 1.00 73.34 C ATOM 388 OG1 THR A 26 5.086 11.647 -7.154 1.00 12.14 O ATOM 389 CG2 THR A 26 4.901 9.504 -6.056 1.00 74.03 C ATOM 0 H THR A 26 8.236 10.044 -7.345 1.00 25.42 H new ATOM 0 HA THR A 26 6.940 11.942 -5.639 1.00 74.32 H new ATOM 0 HB THR A 26 6.222 9.995 -7.660 1.00 73.34 H new ATOM 0 HG1 THR A 26 4.337 11.386 -7.729 1.00 12.14 H new ATOM 0 HG21 THR A 26 4.073 9.238 -6.713 1.00 74.03 H new ATOM 0 HG22 THR A 26 5.458 8.605 -5.792 1.00 74.03 H new ATOM 0 HG23 THR A 26 4.510 9.968 -5.150 1.00 74.03 H new ATOM 397 N SER A 27 7.491 8.875 -4.589 1.00 4.10 N ATOM 398 CA SER A 27 7.485 8.011 -3.415 1.00 31.34 C ATOM 399 C SER A 27 8.211 8.674 -2.248 1.00 64.42 C ATOM 400 O SER A 27 7.878 8.447 -1.085 1.00 10.55 O ATOM 401 CB SER A 27 8.140 6.667 -3.741 1.00 34.15 C ATOM 402 OG SER A 27 7.612 5.632 -2.929 1.00 10.35 O ATOM 0 H SER A 27 7.956 8.475 -5.404 1.00 4.10 H new ATOM 0 HA SER A 27 6.448 7.841 -3.125 1.00 31.34 H new ATOM 0 HB2 SER A 27 7.980 6.426 -4.792 1.00 34.15 H new ATOM 0 HB3 SER A 27 9.217 6.738 -3.591 1.00 34.15 H new ATOM 0 HG SER A 27 7.347 4.876 -3.494 1.00 10.35 H new ATOM 408 N CYS A 28 9.207 9.493 -2.569 1.00 12.45 N ATOM 409 CA CYS A 28 9.982 10.190 -1.549 1.00 45.05 C ATOM 410 C CYS A 28 9.163 11.309 -0.912 1.00 60.51 C ATOM 411 O CYS A 28 9.185 11.492 0.305 1.00 43.42 O ATOM 412 CB CYS A 28 11.263 10.764 -2.158 1.00 5.43 C ATOM 413 SG CYS A 28 12.789 10.237 -1.313 1.00 50.01 S ATOM 0 H CYS A 28 9.496 9.690 -3.527 1.00 12.45 H new ATOM 0 HA CYS A 28 10.245 9.471 -0.773 1.00 45.05 H new ATOM 0 HB2 CYS A 28 11.319 10.467 -3.205 1.00 5.43 H new ATOM 0 HB3 CYS A 28 11.206 11.852 -2.138 1.00 5.43 H new ATOM 418 N SER A 29 8.440 12.053 -1.743 1.00 64.54 N ATOM 419 CA SER A 29 7.616 13.155 -1.262 1.00 43.23 C ATOM 420 C SER A 29 6.630 12.674 -0.202 1.00 5.21 C ATOM 421 O SER A 29 6.278 13.415 0.715 1.00 10.40 O ATOM 422 CB SER A 29 6.858 13.798 -2.425 1.00 44.42 C ATOM 423 OG SER A 29 6.635 15.178 -2.188 1.00 22.41 O ATOM 0 H SER A 29 8.408 11.912 -2.753 1.00 64.54 H new ATOM 0 HA SER A 29 8.274 13.898 -0.811 1.00 43.23 H new ATOM 0 HB2 SER A 29 7.425 13.671 -3.347 1.00 44.42 H new ATOM 0 HB3 SER A 29 5.903 13.291 -2.566 1.00 44.42 H new ATOM 0 HG SER A 29 6.151 15.566 -2.946 1.00 22.41 H new ATOM 429 N MET A 30 6.189 11.428 -0.335 1.00 65.41 N ATOM 430 CA MET A 30 5.245 10.846 0.612 1.00 40.21 C ATOM 431 C MET A 30 5.924 10.552 1.946 1.00 61.13 C ATOM 432 O MET A 30 5.257 10.350 2.960 1.00 41.30 O ATOM 433 CB MET A 30 4.641 9.562 0.040 1.00 40.45 C ATOM 434 CG MET A 30 4.305 9.656 -1.440 1.00 63.21 C ATOM 435 SD MET A 30 2.694 8.948 -1.833 1.00 21.02 S ATOM 436 CE MET A 30 3.155 7.269 -2.254 1.00 4.23 C ATOM 0 H MET A 30 6.470 10.802 -1.089 1.00 65.41 H new ATOM 0 HA MET A 30 4.448 11.569 0.782 1.00 40.21 H new ATOM 0 HB2 MET A 30 5.341 8.741 0.194 1.00 40.45 H new ATOM 0 HB3 MET A 30 3.735 9.317 0.595 1.00 40.45 H new ATOM 0 HG2 MET A 30 4.323 10.702 -1.747 1.00 63.21 H new ATOM 0 HG3 MET A 30 5.074 9.142 -2.017 1.00 63.21 H new ATOM 0 HE1 MET A 30 2.263 6.703 -2.521 1.00 4.23 H new ATOM 0 HE2 MET A 30 3.843 7.282 -3.099 1.00 4.23 H new ATOM 0 HE3 MET A 30 3.640 6.799 -1.398 1.00 4.23 H new ATOM 446 N GLN A 31 7.253 10.529 1.936 1.00 70.43 N ATOM 447 CA GLN A 31 8.021 10.258 3.145 1.00 31.32 C ATOM 448 C GLN A 31 8.689 11.528 3.662 1.00 34.30 C ATOM 449 O GLN A 31 9.645 11.468 4.433 1.00 21.22 O ATOM 450 CB GLN A 31 9.078 9.186 2.874 1.00 32.42 C ATOM 451 CG GLN A 31 8.728 8.265 1.716 1.00 13.13 C ATOM 452 CD GLN A 31 9.277 6.864 1.898 1.00 31.20 C ATOM 453 OE1 GLN A 31 10.330 6.523 1.359 1.00 22.30 O ATOM 454 NE2 GLN A 31 8.565 6.043 2.661 1.00 75.23 N ATOM 0 H GLN A 31 7.820 10.695 1.104 1.00 70.43 H new ATOM 0 HA GLN A 31 7.333 9.895 3.908 1.00 31.32 H new ATOM 0 HB2 GLN A 31 10.031 9.672 2.665 1.00 32.42 H new ATOM 0 HB3 GLN A 31 9.216 8.587 3.775 1.00 32.42 H new ATOM 0 HG2 GLN A 31 7.644 8.216 1.611 1.00 13.13 H new ATOM 0 HG3 GLN A 31 9.119 8.687 0.790 1.00 13.13 H new ATOM 0 HE21 GLN A 31 7.698 6.368 3.088 1.00 75.23 H new ATOM 0 HE22 GLN A 31 8.885 5.088 2.820 1.00 75.23 H new ATOM 463 N ASN A 32 8.178 12.676 3.231 1.00 14.50 N ATOM 464 CA ASN A 32 8.725 13.962 3.650 1.00 64.43 C ATOM 465 C ASN A 32 10.148 14.142 3.129 1.00 1.10 C ATOM 466 O ASN A 32 11.018 14.655 3.833 1.00 25.33 O ATOM 467 CB ASN A 32 8.711 14.073 5.176 1.00 71.14 C ATOM 468 CG ASN A 32 7.484 13.427 5.791 1.00 45.12 C ATOM 469 OD1 ASN A 32 7.588 12.656 6.745 1.00 11.32 O ATOM 470 ND2 ASN A 32 6.315 13.739 5.245 1.00 11.40 N ATOM 0 H ASN A 32 7.386 12.743 2.592 1.00 14.50 H new ATOM 0 HA ASN A 32 8.100 14.750 3.230 1.00 64.43 H new ATOM 0 HB2 ASN A 32 9.607 13.602 5.580 1.00 71.14 H new ATOM 0 HB3 ASN A 32 8.747 15.124 5.462 1.00 71.14 H new ATOM 0 HD21 ASN A 32 5.455 13.335 5.615 1.00 11.40 H new ATOM 0 HD22 ASN A 32 6.277 14.383 4.455 1.00 11.40 H new ATOM 477 N CYS A 33 10.377 13.718 1.891 1.00 63.12 N ATOM 478 CA CYS A 33 11.693 13.832 1.274 1.00 3.11 C ATOM 479 C CYS A 33 11.693 14.901 0.185 1.00 11.11 C ATOM 480 O CYS A 33 10.707 15.613 -0.001 1.00 34.42 O ATOM 481 CB CYS A 33 12.121 12.487 0.684 1.00 44.24 C ATOM 482 SG CYS A 33 12.453 11.200 1.929 1.00 30.12 S ATOM 0 H CYS A 33 9.668 13.292 1.295 1.00 63.12 H new ATOM 0 HA CYS A 33 12.404 14.125 2.046 1.00 3.11 H new ATOM 0 HB2 CYS A 33 11.340 12.133 0.011 1.00 44.24 H new ATOM 0 HB3 CYS A 33 13.018 12.635 0.082 1.00 44.24 H new ATOM 487 N GLY A 34 12.807 15.008 -0.533 1.00 22.44 N ATOM 488 CA GLY A 34 12.915 15.991 -1.594 1.00 53.40 C ATOM 489 C GLY A 34 12.857 15.365 -2.973 1.00 51.12 C ATOM 490 O GLY A 34 11.999 15.711 -3.786 1.00 11.41 O ATOM 0 H GLY A 34 13.637 14.431 -0.398 1.00 22.44 H new ATOM 0 HA2 GLY A 34 12.109 16.718 -1.494 1.00 53.40 H new ATOM 0 HA3 GLY A 34 13.852 16.537 -1.485 1.00 53.40 H new ATOM 494 N THR A 35 13.774 14.440 -3.240 1.00 52.24 N ATOM 495 CA THR A 35 13.826 13.766 -4.532 1.00 12.25 C ATOM 496 C THR A 35 14.275 12.318 -4.378 1.00 23.31 C ATOM 497 O THR A 35 14.531 11.851 -3.269 1.00 11.24 O ATOM 498 CB THR A 35 14.779 14.487 -5.504 1.00 13.04 C ATOM 499 OG1 THR A 35 14.579 14.001 -6.836 1.00 4.03 O ATOM 500 CG2 THR A 35 16.229 14.279 -5.094 1.00 71.31 C ATOM 0 H THR A 35 14.491 14.140 -2.579 1.00 52.24 H new ATOM 0 HA THR A 35 12.816 13.789 -4.942 1.00 12.25 H new ATOM 0 HB THR A 35 14.559 15.554 -5.470 1.00 13.04 H new ATOM 0 HG1 THR A 35 15.187 14.465 -7.448 1.00 4.03 H new ATOM 0 HG21 THR A 35 16.883 14.797 -5.795 1.00 71.31 H new ATOM 0 HG22 THR A 35 16.384 14.677 -4.091 1.00 71.31 H new ATOM 0 HG23 THR A 35 16.460 13.214 -5.102 1.00 71.31 H new ATOM 508 N GLY A 36 14.370 11.610 -5.500 1.00 23.04 N ATOM 509 CA GLY A 36 14.790 10.221 -5.467 1.00 50.11 C ATOM 510 C GLY A 36 15.079 9.670 -6.849 1.00 43.54 C ATOM 511 O GLY A 36 14.251 9.778 -7.754 1.00 21.13 O ATOM 0 H GLY A 36 14.164 11.973 -6.430 1.00 23.04 H new ATOM 0 HA2 GLY A 36 15.683 10.129 -4.849 1.00 50.11 H new ATOM 0 HA3 GLY A 36 14.012 9.621 -4.995 1.00 50.11 H new ATOM 515 N SER A 37 16.259 9.080 -7.015 1.00 12.34 N ATOM 516 CA SER A 37 16.658 8.516 -8.299 1.00 32.45 C ATOM 517 C SER A 37 16.907 7.015 -8.178 1.00 54.22 C ATOM 518 O SER A 37 17.378 6.533 -7.148 1.00 33.40 O ATOM 519 CB SER A 37 17.917 9.213 -8.817 1.00 61.10 C ATOM 520 OG SER A 37 17.796 9.526 -10.194 1.00 24.12 O ATOM 0 H SER A 37 16.955 8.980 -6.276 1.00 12.34 H new ATOM 0 HA SER A 37 15.845 8.677 -9.007 1.00 32.45 H new ATOM 0 HB2 SER A 37 18.092 10.126 -8.247 1.00 61.10 H new ATOM 0 HB3 SER A 37 18.783 8.569 -8.662 1.00 61.10 H new ATOM 0 HG SER A 37 18.613 9.972 -10.501 1.00 24.12 H new ATOM 526 N CYS A 38 16.586 6.282 -9.239 1.00 64.12 N ATOM 527 CA CYS A 38 16.774 4.836 -9.255 1.00 15.21 C ATOM 528 C CYS A 38 17.868 4.440 -10.242 1.00 55.13 C ATOM 529 O CYS A 38 17.974 5.008 -11.329 1.00 42.42 O ATOM 530 CB CYS A 38 15.464 4.135 -9.620 1.00 15.30 C ATOM 531 SG CYS A 38 14.990 4.309 -11.371 1.00 23.34 S ATOM 0 H CYS A 38 16.194 6.666 -10.099 1.00 64.12 H new ATOM 0 HA CYS A 38 17.080 4.523 -8.257 1.00 15.21 H new ATOM 0 HB2 CYS A 38 15.553 3.075 -9.382 1.00 15.30 H new ATOM 0 HB3 CYS A 38 14.664 4.535 -8.997 1.00 15.30 H new ATOM 536 N LYS A 39 18.679 3.461 -9.856 1.00 74.04 N ATOM 537 CA LYS A 39 19.764 2.986 -10.706 1.00 50.14 C ATOM 538 C LYS A 39 19.900 1.469 -10.619 1.00 52.40 C ATOM 539 O LYS A 39 19.699 0.878 -9.558 1.00 64.31 O ATOM 540 CB LYS A 39 21.082 3.651 -10.304 1.00 65.13 C ATOM 541 CG LYS A 39 20.999 5.165 -10.219 1.00 11.05 C ATOM 542 CD LYS A 39 21.012 5.803 -11.597 1.00 44.24 C ATOM 543 CE LYS A 39 21.350 7.284 -11.523 1.00 3.32 C ATOM 544 NZ LYS A 39 22.636 7.595 -12.207 1.00 51.10 N ATOM 0 H LYS A 39 18.605 2.981 -8.959 1.00 74.04 H new ATOM 0 HA LYS A 39 19.529 3.253 -11.736 1.00 50.14 H new ATOM 0 HB2 LYS A 39 21.397 3.258 -9.337 1.00 65.13 H new ATOM 0 HB3 LYS A 39 21.852 3.378 -11.026 1.00 65.13 H new ATOM 0 HG2 LYS A 39 20.088 5.451 -9.693 1.00 11.05 H new ATOM 0 HG3 LYS A 39 21.837 5.544 -9.634 1.00 11.05 H new ATOM 0 HD2 LYS A 39 21.740 5.294 -12.228 1.00 44.24 H new ATOM 0 HD3 LYS A 39 20.037 5.674 -12.068 1.00 44.24 H new ATOM 0 HE2 LYS A 39 20.547 7.863 -11.979 1.00 3.32 H new ATOM 0 HE3 LYS A 39 21.411 7.591 -10.479 1.00 3.32 H new ATOM 0 HZ1 LYS A 39 22.830 8.614 -12.134 1.00 51.10 H new ATOM 0 HZ2 LYS A 39 23.407 7.062 -11.756 1.00 51.10 H new ATOM 0 HZ3 LYS A 39 22.570 7.326 -13.209 1.00 51.10 H new ATOM 558 N LYS A 40 20.243 0.845 -11.741 1.00 13.04 N ATOM 559 CA LYS A 40 20.408 -0.603 -11.791 1.00 45.30 C ATOM 560 C LYS A 40 21.605 -1.043 -10.954 1.00 43.20 C ATOM 561 O LYS A 40 22.753 -0.757 -11.297 1.00 32.33 O ATOM 562 CB LYS A 40 20.587 -1.066 -13.239 1.00 31.24 C ATOM 563 CG LYS A 40 19.347 -1.719 -13.825 1.00 43.15 C ATOM 564 CD LYS A 40 18.947 -2.959 -13.044 1.00 61.00 C ATOM 565 CE LYS A 40 17.821 -3.713 -13.734 1.00 60.42 C ATOM 566 NZ LYS A 40 16.605 -2.869 -13.896 1.00 43.21 N ATOM 0 H LYS A 40 20.412 1.319 -12.628 1.00 13.04 H new ATOM 0 HA LYS A 40 19.510 -1.061 -11.377 1.00 45.30 H new ATOM 0 HB2 LYS A 40 20.862 -0.209 -13.854 1.00 31.24 H new ATOM 0 HB3 LYS A 40 21.416 -1.772 -13.286 1.00 31.24 H new ATOM 0 HG2 LYS A 40 18.523 -1.005 -13.823 1.00 43.15 H new ATOM 0 HG3 LYS A 40 19.533 -1.987 -14.865 1.00 43.15 H new ATOM 0 HD2 LYS A 40 19.811 -3.615 -12.933 1.00 61.00 H new ATOM 0 HD3 LYS A 40 18.633 -2.673 -12.040 1.00 61.00 H new ATOM 0 HE2 LYS A 40 18.159 -4.054 -14.712 1.00 60.42 H new ATOM 0 HE3 LYS A 40 17.571 -4.602 -13.155 1.00 60.42 H new ATOM 0 HZ1 LYS A 40 15.761 -3.428 -13.659 1.00 43.21 H new ATOM 0 HZ2 LYS A 40 16.666 -2.047 -13.262 1.00 43.21 H new ATOM 0 HZ3 LYS A 40 16.538 -2.542 -14.881 1.00 43.21 H new ATOM 580 N ARG A 41 21.330 -1.740 -9.857 1.00 31.13 N ATOM 581 CA ARG A 41 22.384 -2.220 -8.971 1.00 44.45 C ATOM 582 C ARG A 41 22.631 -3.711 -9.178 1.00 64.13 C ATOM 583 O ARG A 41 21.787 -4.542 -8.845 1.00 72.42 O ATOM 584 CB ARG A 41 22.016 -1.951 -7.511 1.00 55.54 C ATOM 585 CG ARG A 41 21.825 -0.477 -7.193 1.00 55.42 C ATOM 586 CD ARG A 41 23.121 0.301 -7.357 1.00 51.30 C ATOM 587 NE ARG A 41 24.120 -0.084 -6.363 1.00 55.33 N ATOM 588 CZ ARG A 41 24.095 0.326 -5.100 1.00 32.41 C ATOM 589 NH1 ARG A 41 23.127 1.128 -4.678 1.00 61.22 N ATOM 590 NH2 ARG A 41 25.039 -0.068 -4.255 1.00 63.11 N ATOM 0 H ARG A 41 20.386 -1.985 -9.560 1.00 31.13 H new ATOM 0 HA ARG A 41 23.300 -1.680 -9.212 1.00 44.45 H new ATOM 0 HB2 ARG A 41 21.098 -2.488 -7.272 1.00 55.54 H new ATOM 0 HB3 ARG A 41 22.798 -2.354 -6.868 1.00 55.54 H new ATOM 0 HG2 ARG A 41 21.062 -0.058 -7.849 1.00 55.42 H new ATOM 0 HG3 ARG A 41 21.461 -0.368 -6.171 1.00 55.42 H new ATOM 0 HD2 ARG A 41 23.521 0.133 -8.357 1.00 51.30 H new ATOM 0 HD3 ARG A 41 22.917 1.368 -7.271 1.00 51.30 H new ATOM 0 HE ARG A 41 24.878 -0.701 -6.655 1.00 55.33 H new ATOM 0 HH11 ARG A 41 22.399 1.432 -5.324 1.00 61.22 H new ATOM 0 HH12 ARG A 41 23.111 1.441 -3.707 1.00 61.22 H new ATOM 0 HH21 ARG A 41 25.784 -0.686 -4.575 1.00 63.11 H new ATOM 0 HH22 ARG A 41 25.019 0.247 -3.285 1.00 63.11 H new ATOM 604 N SER A 42 23.794 -4.042 -9.731 1.00 22.25 N ATOM 605 CA SER A 42 24.151 -5.433 -9.986 1.00 13.10 C ATOM 606 C SER A 42 23.098 -6.113 -10.856 1.00 13.33 C ATOM 607 O SER A 42 22.886 -7.321 -10.764 1.00 22.12 O ATOM 608 CB SER A 42 24.307 -6.192 -8.667 1.00 34.01 C ATOM 609 OG SER A 42 25.486 -6.978 -8.667 1.00 10.41 O ATOM 0 H SER A 42 24.505 -3.366 -10.011 1.00 22.25 H new ATOM 0 HA SER A 42 25.102 -5.447 -10.519 1.00 13.10 H new ATOM 0 HB2 SER A 42 24.338 -5.485 -7.838 1.00 34.01 H new ATOM 0 HB3 SER A 42 23.439 -6.832 -8.507 1.00 34.01 H new ATOM 0 HG SER A 42 25.563 -7.452 -7.813 1.00 10.41 H new ATOM 615 N GLY A 43 22.439 -5.325 -11.701 1.00 61.51 N ATOM 616 CA GLY A 43 21.416 -5.868 -12.576 1.00 13.45 C ATOM 617 C GLY A 43 20.051 -5.908 -11.916 1.00 44.21 C ATOM 618 O GLY A 43 19.107 -6.477 -12.463 1.00 73.11 O ATOM 0 H GLY A 43 22.595 -4.321 -11.795 1.00 61.51 H new ATOM 0 HA2 GLY A 43 21.360 -5.266 -13.483 1.00 13.45 H new ATOM 0 HA3 GLY A 43 21.699 -6.876 -12.880 1.00 13.45 H new ATOM 622 N ARG A 44 19.948 -5.304 -10.737 1.00 12.31 N ATOM 623 CA ARG A 44 18.690 -5.275 -10.001 1.00 33.42 C ATOM 624 C ARG A 44 18.127 -3.858 -9.940 1.00 23.32 C ATOM 625 O ARG A 44 18.835 -2.895 -9.644 1.00 61.23 O ATOM 626 CB ARG A 44 18.891 -5.817 -8.584 1.00 73.24 C ATOM 627 CG ARG A 44 19.420 -7.242 -8.547 1.00 12.45 C ATOM 628 CD ARG A 44 18.405 -8.228 -9.104 1.00 43.32 C ATOM 629 NE ARG A 44 18.673 -9.595 -8.666 1.00 50.11 N ATOM 630 CZ ARG A 44 18.206 -10.671 -9.289 1.00 62.04 C ATOM 631 NH1 ARG A 44 17.453 -10.539 -10.372 1.00 73.34 N ATOM 632 NH2 ARG A 44 18.493 -11.882 -8.830 1.00 24.31 N ATOM 0 H ARG A 44 20.721 -4.828 -10.271 1.00 12.31 H new ATOM 0 HA ARG A 44 17.976 -5.908 -10.527 1.00 33.42 H new ATOM 0 HB2 ARG A 44 19.584 -5.167 -8.050 1.00 73.24 H new ATOM 0 HB3 ARG A 44 17.941 -5.777 -8.050 1.00 73.24 H new ATOM 0 HG2 ARG A 44 20.343 -7.304 -9.124 1.00 12.45 H new ATOM 0 HG3 ARG A 44 19.667 -7.513 -7.520 1.00 12.45 H new ATOM 0 HD2 ARG A 44 17.404 -7.936 -8.787 1.00 43.32 H new ATOM 0 HD3 ARG A 44 18.419 -8.187 -10.193 1.00 43.32 H new ATOM 0 HE ARG A 44 19.250 -9.731 -7.836 1.00 50.11 H new ATOM 0 HH11 ARG A 44 17.231 -9.610 -10.729 1.00 73.34 H new ATOM 0 HH12 ARG A 44 17.096 -11.367 -10.849 1.00 73.34 H new ATOM 0 HH21 ARG A 44 19.073 -11.988 -7.998 1.00 24.31 H new ATOM 0 HH22 ARG A 44 18.134 -12.707 -9.309 1.00 24.31 H new ATOM 646 N PRO A 45 16.824 -3.726 -10.226 1.00 54.12 N ATOM 647 CA PRO A 45 16.137 -2.431 -10.211 1.00 2.33 C ATOM 648 C PRO A 45 15.984 -1.873 -8.800 1.00 3.41 C ATOM 649 O PRO A 45 14.958 -2.073 -8.149 1.00 24.32 O ATOM 650 CB PRO A 45 14.766 -2.749 -10.811 1.00 53.14 C ATOM 651 CG PRO A 45 14.556 -4.197 -10.532 1.00 25.11 C ATOM 652 CD PRO A 45 15.919 -4.831 -10.587 1.00 1.42 C ATOM 0 HA PRO A 45 16.691 -1.670 -10.760 1.00 2.33 H new ATOM 0 HB2 PRO A 45 13.984 -2.141 -10.356 1.00 53.14 H new ATOM 0 HB3 PRO A 45 14.746 -2.545 -11.882 1.00 53.14 H new ATOM 0 HG2 PRO A 45 14.097 -4.344 -9.554 1.00 25.11 H new ATOM 0 HG3 PRO A 45 13.888 -4.643 -11.268 1.00 25.11 H new ATOM 0 HD2 PRO A 45 16.003 -5.664 -9.889 1.00 1.42 H new ATOM 0 HD3 PRO A 45 16.140 -5.223 -11.580 1.00 1.42 H new ATOM 660 N THR A 46 17.011 -1.170 -8.332 1.00 3.22 N ATOM 661 CA THR A 46 16.991 -0.583 -6.998 1.00 22.11 C ATOM 662 C THR A 46 16.597 0.888 -7.050 1.00 52.54 C ATOM 663 O THR A 46 17.096 1.646 -7.883 1.00 1.43 O ATOM 664 CB THR A 46 18.362 -0.711 -6.307 1.00 60.22 C ATOM 665 OG1 THR A 46 18.715 -2.092 -6.171 1.00 71.31 O ATOM 666 CG2 THR A 46 18.341 -0.050 -4.937 1.00 65.41 C ATOM 0 H THR A 46 17.867 -0.993 -8.858 1.00 3.22 H new ATOM 0 HA THR A 46 16.249 -1.135 -6.422 1.00 22.11 H new ATOM 0 HB THR A 46 19.104 -0.206 -6.925 1.00 60.22 H new ATOM 0 HG1 THR A 46 19.588 -2.165 -5.732 1.00 71.31 H new ATOM 0 HG21 THR A 46 19.320 -0.153 -4.468 1.00 65.41 H new ATOM 0 HG22 THR A 46 18.101 1.008 -5.047 1.00 65.41 H new ATOM 0 HG23 THR A 46 17.587 -0.530 -4.313 1.00 65.41 H new ATOM 674 N CYS A 47 15.699 1.288 -6.156 1.00 75.33 N ATOM 675 CA CYS A 47 15.237 2.669 -6.100 1.00 53.40 C ATOM 676 C CYS A 47 15.891 3.415 -4.940 1.00 73.31 C ATOM 677 O CYS A 47 15.734 3.038 -3.779 1.00 23.24 O ATOM 678 CB CYS A 47 13.714 2.715 -5.956 1.00 62.31 C ATOM 679 SG CYS A 47 12.917 4.049 -6.906 1.00 70.12 S ATOM 0 H CYS A 47 15.276 0.674 -5.460 1.00 75.33 H new ATOM 0 HA CYS A 47 15.522 3.159 -7.031 1.00 53.40 H new ATOM 0 HB2 CYS A 47 13.301 1.759 -6.276 1.00 62.31 H new ATOM 0 HB3 CYS A 47 13.463 2.834 -4.902 1.00 62.31 H new ATOM 684 N VAL A 48 16.624 4.475 -5.264 1.00 1.13 N ATOM 685 CA VAL A 48 17.301 5.275 -4.250 1.00 30.33 C ATOM 686 C VAL A 48 16.637 6.638 -4.091 1.00 70.13 C ATOM 687 O VAL A 48 16.103 7.196 -5.050 1.00 75.32 O ATOM 688 CB VAL A 48 18.788 5.477 -4.595 1.00 42.43 C ATOM 689 CG1 VAL A 48 19.574 5.880 -3.357 1.00 23.01 C ATOM 690 CG2 VAL A 48 19.367 4.216 -5.217 1.00 71.35 C ATOM 0 H VAL A 48 16.764 4.800 -6.221 1.00 1.13 H new ATOM 0 HA VAL A 48 17.225 4.726 -3.311 1.00 30.33 H new ATOM 0 HB VAL A 48 18.867 6.283 -5.324 1.00 42.43 H new ATOM 0 HG11 VAL A 48 20.623 6.018 -3.621 1.00 23.01 H new ATOM 0 HG12 VAL A 48 19.174 6.813 -2.960 1.00 23.01 H new ATOM 0 HG13 VAL A 48 19.490 5.098 -2.602 1.00 23.01 H new ATOM 0 HG21 VAL A 48 20.419 4.377 -5.454 1.00 71.35 H new ATOM 0 HG22 VAL A 48 19.277 3.389 -4.513 1.00 71.35 H new ATOM 0 HG23 VAL A 48 18.822 3.977 -6.130 1.00 71.35 H new ATOM 700 N CYS A 49 16.675 7.170 -2.874 1.00 54.34 N ATOM 701 CA CYS A 49 16.077 8.469 -2.588 1.00 71.15 C ATOM 702 C CYS A 49 17.145 9.484 -2.193 1.00 42.31 C ATOM 703 O CYS A 49 18.280 9.119 -1.886 1.00 44.34 O ATOM 704 CB CYS A 49 15.040 8.342 -1.471 1.00 22.55 C ATOM 705 SG CYS A 49 13.318 8.550 -2.026 1.00 51.23 S ATOM 0 H CYS A 49 17.114 6.722 -2.070 1.00 54.34 H new ATOM 0 HA CYS A 49 15.583 8.821 -3.494 1.00 71.15 H new ATOM 0 HB2 CYS A 49 15.144 7.363 -1.004 1.00 22.55 H new ATOM 0 HB3 CYS A 49 15.255 9.086 -0.704 1.00 22.55 H new ATOM 710 N TYR A 50 16.773 10.759 -2.203 1.00 5.54 N ATOM 711 CA TYR A 50 17.700 11.828 -1.847 1.00 54.24 C ATOM 712 C TYR A 50 16.948 13.051 -1.331 1.00 12.13 C ATOM 713 O TYR A 50 15.718 13.097 -1.364 1.00 1.43 O ATOM 714 CB TYR A 50 18.554 12.214 -3.056 1.00 71.01 C ATOM 715 CG TYR A 50 19.429 11.090 -3.562 1.00 62.14 C ATOM 716 CD1 TYR A 50 20.700 10.883 -3.039 1.00 73.11 C ATOM 717 CD2 TYR A 50 18.987 10.235 -4.565 1.00 15.55 C ATOM 718 CE1 TYR A 50 21.503 9.858 -3.499 1.00 24.40 C ATOM 719 CE2 TYR A 50 19.783 9.207 -5.029 1.00 73.25 C ATOM 720 CZ TYR A 50 21.040 9.022 -4.494 1.00 2.02 C ATOM 721 OH TYR A 50 21.837 7.999 -4.955 1.00 51.32 O ATOM 0 H TYR A 50 15.837 11.078 -2.453 1.00 5.54 H new ATOM 0 HA TYR A 50 18.350 11.461 -1.053 1.00 54.24 H new ATOM 0 HB2 TYR A 50 17.899 12.545 -3.862 1.00 71.01 H new ATOM 0 HB3 TYR A 50 19.184 13.062 -2.789 1.00 71.01 H new ATOM 0 HD1 TYR A 50 21.066 11.535 -2.260 1.00 73.11 H new ATOM 0 HD2 TYR A 50 18.004 10.377 -4.989 1.00 15.55 H new ATOM 0 HE1 TYR A 50 22.488 9.712 -3.082 1.00 24.40 H new ATOM 0 HE2 TYR A 50 19.423 8.551 -5.807 1.00 73.25 H new ATOM 0 HH TYR A 50 21.362 7.504 -5.654 1.00 51.32 H new ATOM 731 N ARG A 51 17.697 14.040 -0.854 1.00 52.11 N ATOM 732 CA ARG A 51 17.103 15.264 -0.330 1.00 32.14 C ATOM 733 C ARG A 51 16.021 14.946 0.698 1.00 75.20 C ATOM 734 O ARG A 51 15.064 15.703 0.863 1.00 52.43 O ATOM 735 CB ARG A 51 16.511 16.097 -1.468 1.00 3.42 C ATOM 736 CG ARG A 51 17.526 16.483 -2.531 1.00 63.15 C ATOM 737 CD ARG A 51 17.325 17.916 -3.000 1.00 61.52 C ATOM 738 NE ARG A 51 18.595 18.604 -3.215 1.00 52.51 N ATOM 739 CZ ARG A 51 19.361 19.058 -2.229 1.00 52.03 C ATOM 740 NH1 ARG A 51 18.988 18.896 -0.967 1.00 70.13 N ATOM 741 NH2 ARG A 51 20.503 19.675 -2.505 1.00 31.11 N ATOM 0 H ARG A 51 18.716 14.017 -0.820 1.00 52.11 H new ATOM 0 HA ARG A 51 17.889 15.838 0.160 1.00 32.14 H new ATOM 0 HB2 ARG A 51 15.703 15.535 -1.936 1.00 3.42 H new ATOM 0 HB3 ARG A 51 16.070 17.003 -1.053 1.00 3.42 H new ATOM 0 HG2 ARG A 51 18.534 16.368 -2.132 1.00 63.15 H new ATOM 0 HG3 ARG A 51 17.440 15.806 -3.381 1.00 63.15 H new ATOM 0 HD2 ARG A 51 16.751 17.917 -3.926 1.00 61.52 H new ATOM 0 HD3 ARG A 51 16.738 18.461 -2.260 1.00 61.52 H new ATOM 0 HE ARG A 51 18.911 18.744 -4.175 1.00 52.51 H new ATOM 0 HH11 ARG A 51 18.111 18.422 -0.751 1.00 70.13 H new ATOM 0 HH12 ARG A 51 19.578 19.246 -0.212 1.00 70.13 H new ATOM 0 HH21 ARG A 51 20.793 19.801 -3.475 1.00 31.11 H new ATOM 0 HH22 ARG A 51 21.091 20.023 -1.747 1.00 31.11 H new ATOM 755 N CYS A 52 16.178 13.820 1.386 1.00 1.24 N ATOM 756 CA CYS A 52 15.215 13.400 2.397 1.00 0.32 C ATOM 757 C CYS A 52 15.327 14.267 3.648 1.00 21.44 C ATOM 758 O CYS A 52 16.216 15.111 3.754 1.00 63.32 O ATOM 759 CB CYS A 52 15.433 11.930 2.760 1.00 4.21 C ATOM 760 SG CYS A 52 13.896 11.007 3.080 1.00 72.13 S ATOM 0 H CYS A 52 16.964 13.182 1.262 1.00 1.24 H new ATOM 0 HA CYS A 52 14.214 13.520 1.982 1.00 0.32 H new ATOM 0 HB2 CYS A 52 15.974 11.443 1.949 1.00 4.21 H new ATOM 0 HB3 CYS A 52 16.068 11.876 3.645 1.00 4.21 H new ATOM 765 N ALA A 53 14.419 14.051 4.594 1.00 32.52 N ATOM 766 CA ALA A 53 14.417 14.809 5.839 1.00 53.01 C ATOM 767 C ALA A 53 14.873 13.945 7.009 1.00 32.44 C ATOM 768 O ALA A 53 15.421 14.449 7.989 1.00 62.55 O ATOM 769 CB ALA A 53 13.031 15.377 6.108 1.00 2.33 C ATOM 0 H ALA A 53 13.675 13.357 4.522 1.00 32.52 H new ATOM 0 HA ALA A 53 15.122 15.634 5.735 1.00 53.01 H new ATOM 0 HB1 ALA A 53 13.044 15.941 7.041 1.00 2.33 H new ATOM 0 HB2 ALA A 53 12.743 16.036 5.289 1.00 2.33 H new ATOM 0 HB3 ALA A 53 12.312 14.561 6.187 1.00 2.33 H new ATOM 775 N ASN A 54 14.641 12.640 6.901 1.00 5.32 N ATOM 776 CA ASN A 54 15.028 11.706 7.952 1.00 31.31 C ATOM 777 C ASN A 54 16.422 11.143 7.694 1.00 5.42 C ATOM 778 O ASN A 54 16.794 10.104 8.237 1.00 4.02 O ATOM 779 CB ASN A 54 14.014 10.563 8.045 1.00 4.33 C ATOM 780 CG ASN A 54 13.894 10.010 9.452 1.00 5.22 C ATOM 781 OD1 ASN A 54 14.861 10.009 10.215 1.00 33.11 O ATOM 782 ND2 ASN A 54 12.704 9.536 9.802 1.00 3.31 N ATOM 0 H ASN A 54 14.187 12.206 6.097 1.00 5.32 H new ATOM 0 HA ASN A 54 15.044 12.248 8.898 1.00 31.31 H new ATOM 0 HB2 ASN A 54 13.039 10.918 7.713 1.00 4.33 H new ATOM 0 HB3 ASN A 54 14.310 9.763 7.367 1.00 4.33 H new ATOM 0 HD21 ASN A 54 12.563 9.151 10.736 1.00 3.31 H new ATOM 0 HD22 ASN A 54 11.931 9.557 9.137 1.00 3.31 H new ATOM 789 N GLY A 55 17.191 11.839 6.861 1.00 13.33 N ATOM 790 CA GLY A 55 18.536 11.395 6.546 1.00 33.32 C ATOM 791 C GLY A 55 19.211 12.277 5.515 1.00 23.30 C ATOM 792 O GLY A 55 20.433 12.419 5.514 1.00 23.14 O ATOM 0 H GLY A 55 16.906 12.702 6.399 1.00 13.33 H new ATOM 0 HA2 GLY A 55 19.134 11.383 7.457 1.00 33.32 H new ATOM 0 HA3 GLY A 55 18.500 10.371 6.175 1.00 33.32 H new ATOM 796 N GLY A 56 18.414 12.870 4.632 1.00 15.31 N ATOM 797 CA GLY A 56 18.960 13.734 3.602 1.00 71.01 C ATOM 798 C GLY A 56 19.928 13.007 2.689 1.00 13.32 C ATOM 799 O GLY A 56 21.104 13.360 2.613 1.00 30.43 O ATOM 0 H GLY A 56 17.399 12.767 4.612 1.00 15.31 H new ATOM 0 HA2 GLY A 56 18.144 14.146 3.008 1.00 71.01 H new ATOM 0 HA3 GLY A 56 19.470 14.576 4.071 1.00 71.01 H new ATOM 803 N GLY A 57 19.432 11.987 1.995 1.00 51.53 N ATOM 804 CA GLY A 57 20.275 11.224 1.093 1.00 10.14 C ATOM 805 C GLY A 57 19.656 9.895 0.707 1.00 44.43 C ATOM 806 O GLY A 57 18.444 9.800 0.513 1.00 43.22 O ATOM 0 H GLY A 57 18.462 11.676 2.041 1.00 51.53 H new ATOM 0 HA2 GLY A 57 20.462 11.809 0.193 1.00 10.14 H new ATOM 0 HA3 GLY A 57 21.241 11.048 1.565 1.00 10.14 H new ATOM 810 N ASP A 58 20.490 8.868 0.592 1.00 21.54 N ATOM 811 CA ASP A 58 20.018 7.537 0.225 1.00 1.43 C ATOM 812 C ASP A 58 19.112 6.964 1.310 1.00 33.20 C ATOM 813 O ASP A 58 19.580 6.563 2.376 1.00 42.20 O ATOM 814 CB ASP A 58 21.203 6.601 -0.014 1.00 62.45 C ATOM 815 CG ASP A 58 22.205 6.631 1.123 1.00 34.04 C ATOM 816 OD1 ASP A 58 22.142 5.737 1.993 1.00 21.32 O ATOM 817 OD2 ASP A 58 23.051 7.548 1.144 1.00 43.43 O ATOM 0 H ASP A 58 21.496 8.931 0.747 1.00 21.54 H new ATOM 0 HA ASP A 58 19.442 7.623 -0.696 1.00 1.43 H new ATOM 0 HB2 ASP A 58 20.837 5.583 -0.145 1.00 62.45 H new ATOM 0 HB3 ASP A 58 21.702 6.882 -0.941 1.00 62.45 H new ATOM 822 N ILE A 59 17.813 6.929 1.031 1.00 21.22 N ATOM 823 CA ILE A 59 16.842 6.404 1.983 1.00 12.51 C ATOM 824 C ILE A 59 15.764 5.590 1.276 1.00 13.02 C ATOM 825 O ILE A 59 14.837 6.132 0.674 1.00 74.53 O ATOM 826 CB ILE A 59 16.172 7.536 2.785 1.00 53.04 C ATOM 827 CG1 ILE A 59 17.215 8.565 3.225 1.00 14.41 C ATOM 828 CG2 ILE A 59 15.438 6.968 3.990 1.00 12.33 C ATOM 829 CD1 ILE A 59 18.104 8.081 4.349 1.00 43.44 C ATOM 0 H ILE A 59 17.409 7.258 0.154 1.00 21.22 H new ATOM 0 HA ILE A 59 17.390 5.758 2.669 1.00 12.51 H new ATOM 0 HB ILE A 59 15.445 8.035 2.144 1.00 53.04 H new ATOM 0 HG12 ILE A 59 17.836 8.829 2.369 1.00 14.41 H new ATOM 0 HG13 ILE A 59 16.705 9.475 3.542 1.00 14.41 H new ATOM 0 HG21 ILE A 59 14.970 7.780 4.547 1.00 12.33 H new ATOM 0 HG22 ILE A 59 14.672 6.270 3.653 1.00 12.33 H new ATOM 0 HG23 ILE A 59 16.146 6.447 4.635 1.00 12.33 H new ATOM 0 HD11 ILE A 59 18.819 8.862 4.609 1.00 43.44 H new ATOM 0 HD12 ILE A 59 17.493 7.844 5.220 1.00 43.44 H new ATOM 0 HD13 ILE A 59 18.642 7.188 4.029 1.00 43.44 H new ATOM 841 N PRO A 60 15.885 4.256 1.352 1.00 51.33 N ATOM 842 CA PRO A 60 14.928 3.338 0.727 1.00 63.11 C ATOM 843 C PRO A 60 13.572 3.352 1.423 1.00 54.21 C ATOM 844 O PRO A 60 13.478 3.639 2.617 1.00 10.21 O ATOM 845 CB PRO A 60 15.596 1.969 0.884 1.00 13.44 C ATOM 846 CG PRO A 60 16.487 2.117 2.069 1.00 33.42 C ATOM 847 CD PRO A 60 16.965 3.542 2.053 1.00 13.23 C ATOM 0 HA PRO A 60 14.719 3.610 -0.308 1.00 63.11 H new ATOM 0 HB2 PRO A 60 14.857 1.183 1.040 1.00 13.44 H new ATOM 0 HB3 PRO A 60 16.163 1.701 -0.007 1.00 13.44 H new ATOM 0 HG2 PRO A 60 15.950 1.896 2.991 1.00 33.42 H new ATOM 0 HG3 PRO A 60 17.326 1.423 2.015 1.00 33.42 H new ATOM 0 HD2 PRO A 60 17.113 3.928 3.062 1.00 13.23 H new ATOM 0 HD3 PRO A 60 17.917 3.641 1.531 1.00 13.23 H new ATOM 855 N LEU A 61 12.522 3.041 0.670 1.00 64.40 N ATOM 856 CA LEU A 61 11.170 3.017 1.215 1.00 35.01 C ATOM 857 C LEU A 61 11.111 2.184 2.491 1.00 22.34 C ATOM 858 O LEU A 61 10.233 2.376 3.331 1.00 73.01 O ATOM 859 CB LEU A 61 10.192 2.456 0.181 1.00 14.22 C ATOM 860 CG LEU A 61 10.098 3.222 -1.139 1.00 11.42 C ATOM 861 CD1 LEU A 61 8.905 2.742 -1.951 1.00 43.42 C ATOM 862 CD2 LEU A 61 10.002 4.719 -0.881 1.00 44.10 C ATOM 0 H LEU A 61 12.582 2.802 -0.320 1.00 64.40 H new ATOM 0 HA LEU A 61 10.885 4.041 1.458 1.00 35.01 H new ATOM 0 HB2 LEU A 61 10.477 1.427 -0.039 1.00 14.22 H new ATOM 0 HB3 LEU A 61 9.199 2.423 0.630 1.00 14.22 H new ATOM 0 HG LEU A 61 11.004 3.030 -1.714 1.00 11.42 H new ATOM 0 HD11 LEU A 61 8.854 3.298 -2.887 1.00 43.42 H new ATOM 0 HD12 LEU A 61 9.015 1.679 -2.166 1.00 43.42 H new ATOM 0 HD13 LEU A 61 7.989 2.904 -1.383 1.00 43.42 H new ATOM 0 HD21 LEU A 61 9.936 5.249 -1.831 1.00 44.10 H new ATOM 0 HD22 LEU A 61 9.113 4.929 -0.286 1.00 44.10 H new ATOM 0 HD23 LEU A 61 10.888 5.053 -0.341 1.00 44.10 H new ATOM 874 N GLY A 62 12.055 1.258 2.631 1.00 22.34 N ATOM 875 CA GLY A 62 12.094 0.410 3.809 1.00 43.41 C ATOM 876 C GLY A 62 12.598 1.145 5.035 1.00 13.24 C ATOM 877 O GLY A 62 12.137 0.897 6.149 1.00 74.51 O ATOM 0 H GLY A 62 12.793 1.080 1.950 1.00 22.34 H new ATOM 0 HA2 GLY A 62 11.095 0.022 4.007 1.00 43.41 H new ATOM 0 HA3 GLY A 62 12.737 -0.449 3.614 1.00 43.41 H new ATOM 881 N ALA A 63 13.548 2.052 4.832 1.00 72.23 N ATOM 882 CA ALA A 63 14.114 2.825 5.930 1.00 40.11 C ATOM 883 C ALA A 63 13.188 3.968 6.332 1.00 75.33 C ATOM 884 O ALA A 63 13.226 4.442 7.468 1.00 70.40 O ATOM 885 CB ALA A 63 15.484 3.364 5.545 1.00 53.12 C ATOM 0 H ALA A 63 13.942 2.269 3.917 1.00 72.23 H new ATOM 0 HA ALA A 63 14.224 2.162 6.789 1.00 40.11 H new ATOM 0 HB1 ALA A 63 15.895 3.939 6.375 1.00 53.12 H new ATOM 0 HB2 ALA A 63 16.150 2.533 5.315 1.00 53.12 H new ATOM 0 HB3 ALA A 63 15.389 4.006 4.670 1.00 53.12 H new ATOM 891 N LEU A 64 12.356 4.407 5.393 1.00 23.22 N ATOM 892 CA LEU A 64 11.419 5.495 5.649 1.00 5.43 C ATOM 893 C LEU A 64 10.073 4.956 6.120 1.00 72.50 C ATOM 894 O LEU A 64 9.108 5.707 6.263 1.00 74.34 O ATOM 895 CB LEU A 64 11.231 6.340 4.388 1.00 74.54 C ATOM 896 CG LEU A 64 12.109 7.586 4.276 1.00 10.25 C ATOM 897 CD1 LEU A 64 12.414 7.896 2.819 1.00 1.02 C ATOM 898 CD2 LEU A 64 11.435 8.775 4.947 1.00 62.24 C ATOM 0 H LEU A 64 12.312 4.026 4.448 1.00 23.22 H new ATOM 0 HA LEU A 64 11.834 6.121 6.439 1.00 5.43 H new ATOM 0 HB2 LEU A 64 11.420 5.708 3.520 1.00 74.54 H new ATOM 0 HB3 LEU A 64 10.187 6.650 4.335 1.00 74.54 H new ATOM 0 HG LEU A 64 13.051 7.390 4.788 1.00 10.25 H new ATOM 0 HD11 LEU A 64 13.040 8.786 2.760 1.00 1.02 H new ATOM 0 HD12 LEU A 64 12.939 7.053 2.370 1.00 1.02 H new ATOM 0 HD13 LEU A 64 11.482 8.071 2.282 1.00 1.02 H new ATOM 0 HD21 LEU A 64 12.074 9.654 4.858 1.00 62.24 H new ATOM 0 HD22 LEU A 64 10.478 8.972 4.463 1.00 62.24 H new ATOM 0 HD23 LEU A 64 11.270 8.552 6.001 1.00 62.24 H new ATOM 910 N ILE A 65 10.016 3.650 6.361 1.00 3.24 N ATOM 911 CA ILE A 65 8.789 3.011 6.819 1.00 30.04 C ATOM 912 C ILE A 65 8.270 3.667 8.094 1.00 1.23 C ATOM 913 O ILE A 65 9.037 3.959 9.012 1.00 11.42 O ATOM 914 CB ILE A 65 9.000 1.508 7.079 1.00 60.45 C ATOM 915 CG1 ILE A 65 9.234 0.768 5.759 1.00 11.44 C ATOM 916 CG2 ILE A 65 7.803 0.924 7.814 1.00 22.22 C ATOM 917 CD1 ILE A 65 9.523 -0.706 5.936 1.00 41.10 C ATOM 0 H ILE A 65 10.805 3.014 6.247 1.00 3.24 H new ATOM 0 HA ILE A 65 8.054 3.135 6.024 1.00 30.04 H new ATOM 0 HB ILE A 65 9.883 1.383 7.706 1.00 60.45 H new ATOM 0 HG12 ILE A 65 8.354 0.884 5.126 1.00 11.44 H new ATOM 0 HG13 ILE A 65 10.068 1.233 5.234 1.00 11.44 H new ATOM 0 HG21 ILE A 65 7.967 -0.139 7.990 1.00 22.22 H new ATOM 0 HG22 ILE A 65 7.677 1.435 8.769 1.00 22.22 H new ATOM 0 HG23 ILE A 65 6.905 1.057 7.210 1.00 22.22 H new ATOM 0 HD11 ILE A 65 9.678 -1.166 4.960 1.00 41.10 H new ATOM 0 HD12 ILE A 65 10.420 -0.831 6.543 1.00 41.10 H new ATOM 0 HD13 ILE A 65 8.679 -1.185 6.433 1.00 41.10 H new ATOM 929 N LYS A 66 6.962 3.895 8.146 1.00 41.13 N ATOM 930 CA LYS A 66 6.338 4.514 9.309 1.00 31.11 C ATOM 931 C LYS A 66 5.290 3.589 9.920 1.00 12.54 C ATOM 932 O LYS A 66 4.645 3.936 10.910 1.00 30.33 O ATOM 933 CB LYS A 66 5.693 5.846 8.919 1.00 2.15 C ATOM 934 CG LYS A 66 6.648 6.806 8.231 1.00 63.53 C ATOM 935 CD LYS A 66 5.901 7.842 7.409 1.00 51.22 C ATOM 936 CE LYS A 66 5.347 7.242 6.126 1.00 52.34 C ATOM 937 NZ LYS A 66 3.872 7.422 6.021 1.00 63.11 N ATOM 0 H LYS A 66 6.313 3.660 7.395 1.00 41.13 H new ATOM 0 HA LYS A 66 7.114 4.697 10.053 1.00 31.11 H new ATOM 0 HB2 LYS A 66 4.848 5.651 8.258 1.00 2.15 H new ATOM 0 HB3 LYS A 66 5.294 6.323 9.814 1.00 2.15 H new ATOM 0 HG2 LYS A 66 7.262 7.308 8.979 1.00 63.53 H new ATOM 0 HG3 LYS A 66 7.325 6.247 7.585 1.00 63.53 H new ATOM 0 HD2 LYS A 66 5.085 8.257 8.000 1.00 51.22 H new ATOM 0 HD3 LYS A 66 6.571 8.667 7.166 1.00 51.22 H new ATOM 0 HE2 LYS A 66 5.832 7.708 5.268 1.00 52.34 H new ATOM 0 HE3 LYS A 66 5.587 6.179 6.089 1.00 52.34 H new ATOM 0 HZ1 LYS A 66 3.533 7.000 5.133 1.00 63.11 H new ATOM 0 HZ2 LYS A 66 3.407 6.955 6.826 1.00 63.11 H new ATOM 0 HZ3 LYS A 66 3.645 8.437 6.031 1.00 63.11 H new ATOM 951 N ARG A 67 5.126 2.412 9.325 1.00 3.53 N ATOM 952 CA ARG A 67 4.157 1.438 9.812 1.00 53.51 C ATOM 953 C ARG A 67 4.855 0.292 10.538 1.00 51.22 C ATOM 954 O ARG A 67 4.228 -0.705 10.893 1.00 13.55 O ATOM 955 CB ARG A 67 3.326 0.890 8.650 1.00 31.04 C ATOM 956 CG ARG A 67 2.273 1.861 8.143 1.00 15.10 C ATOM 957 CD ARG A 67 2.895 2.979 7.322 1.00 41.23 C ATOM 958 NE ARG A 67 2.023 3.408 6.231 1.00 25.11 N ATOM 959 CZ ARG A 67 0.989 4.225 6.395 1.00 42.22 C ATOM 960 NH1 ARG A 67 0.699 4.700 7.598 1.00 23.03 N ATOM 961 NH2 ARG A 67 0.243 4.570 5.353 1.00 32.52 N ATOM 0 H ARG A 67 5.652 2.110 8.505 1.00 3.53 H new ATOM 0 HA ARG A 67 3.496 1.942 10.517 1.00 53.51 H new ATOM 0 HB2 ARG A 67 3.993 0.629 7.828 1.00 31.04 H new ATOM 0 HB3 ARG A 67 2.836 -0.031 8.967 1.00 31.04 H new ATOM 0 HG2 ARG A 67 1.544 1.324 7.536 1.00 15.10 H new ATOM 0 HG3 ARG A 67 1.732 2.287 8.988 1.00 15.10 H new ATOM 0 HD2 ARG A 67 3.109 3.829 7.970 1.00 41.23 H new ATOM 0 HD3 ARG A 67 3.848 2.642 6.913 1.00 41.23 H new ATOM 0 HE ARG A 67 2.219 3.061 5.292 1.00 25.11 H new ATOM 0 HH11 ARG A 67 1.271 4.438 8.401 1.00 23.03 H new ATOM 0 HH12 ARG A 67 -0.096 5.327 7.721 1.00 23.03 H new ATOM 0 HH21 ARG A 67 0.464 4.208 4.425 1.00 32.52 H new ATOM 0 HH22 ARG A 67 -0.551 5.198 5.480 1.00 32.52 H new ATOM 975 N GLY A 68 6.158 0.442 10.754 1.00 64.23 N ATOM 976 CA GLY A 68 6.920 -0.588 11.435 1.00 24.31 C ATOM 977 C GLY A 68 7.870 -0.018 12.470 1.00 33.13 C ATOM 978 O GLY A 68 8.217 -0.691 13.441 1.00 42.13 O ATOM 0 H GLY A 68 6.699 1.258 10.470 1.00 64.23 H new ATOM 0 HA2 GLY A 68 6.234 -1.283 11.920 1.00 24.31 H new ATOM 0 HA3 GLY A 68 7.488 -1.160 10.701 1.00 24.31 H new TER 982 GLY A 68