USER MOD reduce.3.24.130724 H: found=0, std=0, add=496, rem=0, adj=12 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 Set 1.1: A 6 SER OG : rot 180:sc= 0 USER MOD Set 1.2: A 11 MET CE :methyl -118:sc= 0 (180deg=-1.56!) USER MOD Single : A 1 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Single : A 1 MET N :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 7 THR OG1 : rot 180:sc= 0 USER MOD Single : A 17 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 18 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 21 GLN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 26 THR OG1 : rot 180:sc= 0 USER MOD Single : A 27 SER OG : rot 180:sc= -3.22! 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= -7.74! C(o=-7.7!,f=-14!) USER MOD Single : A 32 ASN : amide:sc= -0.189 X(o=-0.19,f=-0.19) USER MOD Single : A 35 THR OG1 : rot 180:sc=-0.000377 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+ 148:sc= 0.222 (180deg=-0.685) 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= -0.173 X(o=-0.17,f=-0.25) USER MOD Single : A 66 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD ----------------------------------------------------------------- ATOM 1 N MET A 1 2.865 0.679 -0.816 1.00 0.23 N ATOM 2 CA MET A 1 2.990 -0.068 0.431 1.00 42.25 C ATOM 3 C MET A 1 3.179 -1.556 0.156 1.00 63.24 C ATOM 4 O MET A 1 2.440 -2.392 0.676 1.00 4.04 O ATOM 5 CB MET A 1 1.754 0.148 1.306 1.00 41.12 C ATOM 6 CG MET A 1 1.755 1.479 2.041 1.00 71.51 C ATOM 7 SD MET A 1 0.264 2.444 1.731 1.00 41.31 S ATOM 8 CE MET A 1 0.870 4.105 2.022 1.00 33.41 C ATOM 0 H1 MET A 1 2.737 1.689 -0.604 1.00 0.23 H new ATOM 0 H2 MET A 1 3.726 0.551 -1.385 1.00 0.23 H new ATOM 0 H3 MET A 1 2.043 0.330 -1.349 1.00 0.23 H new ATOM 0 HA MET A 1 3.869 0.300 0.960 1.00 42.25 H new ATOM 0 HB2 MET A 1 0.862 0.087 0.682 1.00 41.12 H new ATOM 0 HB3 MET A 1 1.689 -0.660 2.035 1.00 41.12 H new ATOM 0 HG2 MET A 1 1.850 1.298 3.112 1.00 71.51 H new ATOM 0 HG3 MET A 1 2.627 2.057 1.736 1.00 71.51 H new ATOM 0 HE1 MET A 1 0.061 4.819 1.869 1.00 33.41 H new ATOM 0 HE2 MET A 1 1.236 4.185 3.046 1.00 33.41 H new ATOM 0 HE3 MET A 1 1.682 4.323 1.328 1.00 33.41 H new ATOM 18 N ASP A 2 4.172 -1.880 -0.665 1.00 63.12 N ATOM 19 CA ASP A 2 4.459 -3.268 -1.008 1.00 73.25 C ATOM 20 C ASP A 2 5.678 -3.362 -1.920 1.00 25.02 C ATOM 21 O ASP A 2 6.178 -2.349 -2.411 1.00 31.24 O ATOM 22 CB ASP A 2 3.248 -3.908 -1.689 1.00 54.23 C ATOM 23 CG ASP A 2 2.774 -5.157 -0.973 1.00 73.21 C ATOM 24 OD1 ASP A 2 2.331 -6.103 -1.659 1.00 2.22 O ATOM 25 OD2 ASP A 2 2.846 -5.190 0.273 1.00 41.21 O ATOM 0 H ASP A 2 4.792 -1.200 -1.105 1.00 63.12 H new ATOM 0 HA ASP A 2 4.675 -3.807 -0.085 1.00 73.25 H new ATOM 0 HB2 ASP A 2 2.433 -3.185 -1.730 1.00 54.23 H new ATOM 0 HB3 ASP A 2 3.504 -4.158 -2.719 1.00 54.23 H new ATOM 30 N ILE A 3 6.153 -4.583 -2.140 1.00 62.34 N ATOM 31 CA ILE A 3 7.314 -4.809 -2.992 1.00 42.44 C ATOM 32 C ILE A 3 6.927 -4.782 -4.467 1.00 62.32 C ATOM 33 O ILE A 3 5.751 -4.894 -4.813 1.00 71.30 O ATOM 34 CB ILE A 3 7.992 -6.154 -2.675 1.00 65.53 C ATOM 35 CG1 ILE A 3 7.939 -6.436 -1.172 1.00 51.32 C ATOM 36 CG2 ILE A 3 9.432 -6.151 -3.168 1.00 72.20 C ATOM 37 CD1 ILE A 3 6.838 -7.394 -0.776 1.00 32.22 C ATOM 0 H ILE A 3 5.752 -5.431 -1.740 1.00 62.34 H new ATOM 0 HA ILE A 3 8.017 -4.001 -2.788 1.00 42.44 H new ATOM 0 HB ILE A 3 7.452 -6.946 -3.193 1.00 65.53 H new ATOM 0 HG12 ILE A 3 8.898 -6.845 -0.853 1.00 51.32 H new ATOM 0 HG13 ILE A 3 7.801 -5.496 -0.639 1.00 51.32 H new ATOM 0 HG21 ILE A 3 9.898 -7.109 -2.936 1.00 72.20 H new ATOM 0 HG22 ILE A 3 9.447 -5.991 -4.246 1.00 72.20 H new ATOM 0 HG23 ILE A 3 9.984 -5.351 -2.675 1.00 72.20 H new ATOM 0 HD11 ILE A 3 6.860 -7.548 0.303 1.00 32.22 H new ATOM 0 HD12 ILE A 3 5.873 -6.978 -1.064 1.00 32.22 H new ATOM 0 HD13 ILE A 3 6.987 -8.348 -1.281 1.00 32.22 H new ATOM 49 N ASP A 4 7.925 -4.635 -5.332 1.00 74.32 N ATOM 50 CA ASP A 4 7.690 -4.597 -6.771 1.00 34.31 C ATOM 51 C ASP A 4 8.947 -4.997 -7.538 1.00 15.14 C ATOM 52 O ASP A 4 10.040 -4.507 -7.256 1.00 3.13 O ATOM 53 CB ASP A 4 7.239 -3.200 -7.199 1.00 12.11 C ATOM 54 CG ASP A 4 5.734 -3.031 -7.131 1.00 53.00 C ATOM 55 OD1 ASP A 4 5.012 -3.976 -7.515 1.00 4.24 O ATOM 56 OD2 ASP A 4 5.277 -1.954 -6.694 1.00 21.34 O ATOM 0 H ASP A 4 8.904 -4.540 -5.062 1.00 74.32 H new ATOM 0 HA ASP A 4 6.901 -5.312 -7.004 1.00 34.31 H new ATOM 0 HB2 ASP A 4 7.714 -2.456 -6.560 1.00 12.11 H new ATOM 0 HB3 ASP A 4 7.578 -3.008 -8.217 1.00 12.11 H new ATOM 61 N PHE A 5 8.783 -5.890 -8.507 1.00 72.55 N ATOM 62 CA PHE A 5 9.905 -6.358 -9.314 1.00 15.23 C ATOM 63 C PHE A 5 10.365 -5.274 -10.284 1.00 65.32 C ATOM 64 O PHE A 5 11.513 -5.272 -10.730 1.00 20.24 O ATOM 65 CB PHE A 5 9.514 -7.619 -10.087 1.00 54.45 C ATOM 66 CG PHE A 5 10.571 -8.085 -11.047 1.00 31.11 C ATOM 67 CD1 PHE A 5 10.237 -8.461 -12.338 1.00 14.12 C ATOM 68 CD2 PHE A 5 11.899 -8.148 -10.657 1.00 61.34 C ATOM 69 CE1 PHE A 5 11.207 -8.890 -13.223 1.00 61.44 C ATOM 70 CE2 PHE A 5 12.874 -8.576 -11.539 1.00 30.54 C ATOM 71 CZ PHE A 5 12.527 -8.949 -12.823 1.00 25.24 C ATOM 0 H PHE A 5 7.884 -6.305 -8.753 1.00 72.55 H new ATOM 0 HA PHE A 5 10.731 -6.594 -8.643 1.00 15.23 H new ATOM 0 HB2 PHE A 5 9.300 -8.419 -9.378 1.00 54.45 H new ATOM 0 HB3 PHE A 5 8.593 -7.427 -10.638 1.00 54.45 H new ATOM 0 HD1 PHE A 5 9.206 -8.418 -12.656 1.00 14.12 H new ATOM 0 HD2 PHE A 5 12.175 -7.860 -9.654 1.00 61.34 H new ATOM 0 HE1 PHE A 5 10.933 -9.179 -14.227 1.00 61.44 H new ATOM 0 HE2 PHE A 5 13.906 -8.619 -11.224 1.00 30.54 H new ATOM 0 HZ PHE A 5 13.287 -9.286 -13.513 1.00 25.24 H new ATOM 81 N SER A 6 9.462 -4.355 -10.608 1.00 11.43 N ATOM 82 CA SER A 6 9.773 -3.268 -11.529 1.00 3.24 C ATOM 83 C SER A 6 9.528 -1.913 -10.872 1.00 45.52 C ATOM 84 O SER A 6 8.523 -1.712 -10.190 1.00 51.42 O ATOM 85 CB SER A 6 8.931 -3.391 -12.800 1.00 20.12 C ATOM 86 OG SER A 6 9.192 -2.320 -13.690 1.00 62.35 O ATOM 0 H SER A 6 8.508 -4.341 -10.246 1.00 11.43 H new ATOM 0 HA SER A 6 10.828 -3.339 -11.793 1.00 3.24 H new ATOM 0 HB2 SER A 6 9.147 -4.339 -13.293 1.00 20.12 H new ATOM 0 HB3 SER A 6 7.873 -3.402 -12.539 1.00 20.12 H new ATOM 0 HG SER A 6 8.643 -2.423 -14.495 1.00 62.35 H new ATOM 92 N THR A 7 10.456 -0.984 -11.083 1.00 0.41 N ATOM 93 CA THR A 7 10.343 0.352 -10.512 1.00 3.42 C ATOM 94 C THR A 7 11.078 1.379 -11.366 1.00 1.22 C ATOM 95 O THR A 7 10.502 2.387 -11.776 1.00 0.30 O ATOM 96 CB THR A 7 10.903 0.399 -9.078 1.00 1.45 C ATOM 97 OG1 THR A 7 11.590 -0.821 -8.779 1.00 71.35 O ATOM 98 CG2 THR A 7 9.787 0.619 -8.068 1.00 33.43 C ATOM 0 H THR A 7 11.294 -1.133 -11.645 1.00 0.41 H new ATOM 0 HA THR A 7 9.281 0.597 -10.488 1.00 3.42 H new ATOM 0 HB THR A 7 11.601 1.234 -9.012 1.00 1.45 H new ATOM 0 HG1 THR A 7 11.944 -0.782 -7.866 1.00 71.35 H new ATOM 0 HG21 THR A 7 10.207 0.649 -7.063 1.00 33.43 H new ATOM 0 HG22 THR A 7 9.286 1.563 -8.280 1.00 33.43 H new ATOM 0 HG23 THR A 7 9.068 -0.197 -8.137 1.00 33.43 H new ATOM 106 N CYS A 8 12.353 1.117 -11.631 1.00 44.14 N ATOM 107 CA CYS A 8 13.168 2.018 -12.437 1.00 41.34 C ATOM 108 C CYS A 8 12.974 1.742 -13.926 1.00 4.23 C ATOM 109 O CYS A 8 12.582 0.644 -14.318 1.00 30.22 O ATOM 110 CB CYS A 8 14.646 1.871 -12.068 1.00 54.54 C ATOM 111 SG CYS A 8 15.674 3.301 -12.534 1.00 12.42 S ATOM 0 H CYS A 8 12.845 0.287 -11.299 1.00 44.14 H new ATOM 0 HA CYS A 8 12.849 3.039 -12.230 1.00 41.34 H new ATOM 0 HB2 CYS A 8 14.727 1.714 -10.992 1.00 54.54 H new ATOM 0 HB3 CYS A 8 15.043 0.978 -12.551 1.00 54.54 H new ATOM 116 N ALA A 9 13.253 2.747 -14.749 1.00 52.44 N ATOM 117 CA ALA A 9 13.112 2.613 -16.194 1.00 32.21 C ATOM 118 C ALA A 9 14.190 1.699 -16.768 1.00 15.40 C ATOM 119 O ALA A 9 14.106 1.273 -17.920 1.00 21.01 O ATOM 120 CB ALA A 9 13.167 3.980 -16.859 1.00 54.02 C ATOM 0 H ALA A 9 13.578 3.663 -14.440 1.00 52.44 H new ATOM 0 HA ALA A 9 12.142 2.161 -16.399 1.00 32.21 H new ATOM 0 HB1 ALA A 9 13.060 3.864 -17.938 1.00 54.02 H new ATOM 0 HB2 ALA A 9 12.357 4.602 -16.479 1.00 54.02 H new ATOM 0 HB3 ALA A 9 14.123 4.454 -16.638 1.00 54.02 H new ATOM 126 N ARG A 10 15.201 1.404 -15.958 1.00 71.51 N ATOM 127 CA ARG A 10 16.296 0.542 -16.387 1.00 2.11 C ATOM 128 C ARG A 10 16.021 -0.912 -16.017 1.00 32.32 C ATOM 129 O ARG A 10 16.946 -1.708 -15.858 1.00 32.31 O ATOM 130 CB ARG A 10 17.611 1.000 -15.754 1.00 44.41 C ATOM 131 CG ARG A 10 17.870 2.491 -15.898 1.00 52.34 C ATOM 132 CD ARG A 10 17.963 2.902 -17.360 1.00 33.42 C ATOM 133 NE ARG A 10 19.239 3.541 -17.669 1.00 13.45 N ATOM 134 CZ ARG A 10 19.554 4.009 -18.871 1.00 43.11 C ATOM 135 NH1 ARG A 10 18.691 3.909 -19.872 1.00 50.25 N ATOM 136 NH2 ARG A 10 20.735 4.579 -19.074 1.00 25.32 N ATOM 0 H ARG A 10 15.285 1.749 -15.002 1.00 71.51 H new ATOM 0 HA ARG A 10 16.378 0.613 -17.472 1.00 2.11 H new ATOM 0 HB2 ARG A 10 17.604 0.742 -14.695 1.00 44.41 H new ATOM 0 HB3 ARG A 10 18.435 0.451 -16.210 1.00 44.41 H new ATOM 0 HG2 ARG A 10 17.069 3.049 -15.412 1.00 52.34 H new ATOM 0 HG3 ARG A 10 18.796 2.752 -15.386 1.00 52.34 H new ATOM 0 HD2 ARG A 10 17.835 2.023 -17.992 1.00 33.42 H new ATOM 0 HD3 ARG A 10 17.148 3.586 -17.597 1.00 33.42 H new ATOM 0 HE ARG A 10 19.926 3.633 -16.921 1.00 13.45 H new ATOM 0 HH11 ARG A 10 17.782 3.472 -19.720 1.00 50.25 H new ATOM 0 HH12 ARG A 10 18.936 4.269 -20.794 1.00 50.25 H new ATOM 0 HH21 ARG A 10 21.402 4.658 -18.306 1.00 25.32 H new ATOM 0 HH22 ARG A 10 20.976 4.938 -19.998 1.00 25.32 H new ATOM 150 N MET A 11 14.743 -1.251 -15.881 1.00 30.23 N ATOM 151 CA MET A 11 14.346 -2.610 -15.530 1.00 3.01 C ATOM 152 C MET A 11 14.518 -3.550 -16.719 1.00 33.44 C ATOM 153 O MET A 11 15.358 -4.450 -16.694 1.00 40.23 O ATOM 154 CB MET A 11 12.893 -2.633 -15.052 1.00 40.42 C ATOM 155 CG MET A 11 12.585 -3.774 -14.097 1.00 1.14 C ATOM 156 SD MET A 11 12.419 -5.359 -14.939 1.00 23.50 S ATOM 157 CE MET A 11 10.763 -5.217 -15.606 1.00 30.14 C ATOM 0 H MET A 11 13.965 -0.604 -16.008 1.00 30.23 H new ATOM 0 HA MET A 11 14.991 -2.953 -14.721 1.00 3.01 H new ATOM 0 HB2 MET A 11 12.666 -1.687 -14.560 1.00 40.42 H new ATOM 0 HB3 MET A 11 12.235 -2.708 -15.918 1.00 40.42 H new ATOM 0 HG2 MET A 11 13.378 -3.844 -13.353 1.00 1.14 H new ATOM 0 HG3 MET A 11 11.662 -3.554 -13.560 1.00 1.14 H new ATOM 0 HE1 MET A 11 10.131 -5.995 -15.178 1.00 30.14 H new ATOM 0 HE2 MET A 11 10.353 -4.238 -15.357 1.00 30.14 H new ATOM 0 HE3 MET A 11 10.796 -5.331 -16.689 1.00 30.14 H new ATOM 167 N ASP A 12 13.717 -3.337 -17.756 1.00 54.24 N ATOM 168 CA ASP A 12 13.781 -4.165 -18.955 1.00 35.21 C ATOM 169 C ASP A 12 13.138 -3.454 -20.142 1.00 23.11 C ATOM 170 O ASP A 12 13.639 -3.521 -21.264 1.00 62.25 O ATOM 171 CB ASP A 12 13.087 -5.506 -18.711 1.00 75.34 C ATOM 172 CG ASP A 12 13.816 -6.663 -19.366 1.00 2.13 C ATOM 173 OD1 ASP A 12 14.828 -7.125 -18.797 1.00 35.04 O ATOM 174 OD2 ASP A 12 13.376 -7.107 -20.446 1.00 54.34 O ATOM 0 H ASP A 12 13.015 -2.598 -17.791 1.00 54.24 H new ATOM 0 HA ASP A 12 14.831 -4.344 -19.188 1.00 35.21 H new ATOM 0 HB2 ASP A 12 13.017 -5.685 -17.638 1.00 75.34 H new ATOM 0 HB3 ASP A 12 12.068 -5.459 -19.094 1.00 75.34 H new ATOM 179 N VAL A 13 12.025 -2.774 -19.886 1.00 43.32 N ATOM 180 CA VAL A 13 11.314 -2.050 -20.933 1.00 60.02 C ATOM 181 C VAL A 13 11.398 -0.544 -20.714 1.00 55.31 C ATOM 182 O VAL A 13 10.456 0.093 -20.240 1.00 25.24 O ATOM 183 CB VAL A 13 9.833 -2.467 -20.997 1.00 33.22 C ATOM 184 CG1 VAL A 13 9.692 -3.842 -21.631 1.00 71.42 C ATOM 185 CG2 VAL A 13 9.214 -2.446 -19.607 1.00 54.15 C ATOM 0 H VAL A 13 11.596 -2.709 -18.963 1.00 43.32 H new ATOM 0 HA VAL A 13 11.796 -2.304 -21.877 1.00 60.02 H new ATOM 0 HB VAL A 13 9.298 -1.750 -21.620 1.00 33.22 H new ATOM 0 HG11 VAL A 13 8.639 -4.120 -21.668 1.00 71.42 H new ATOM 0 HG12 VAL A 13 10.097 -3.819 -22.643 1.00 71.42 H new ATOM 0 HG13 VAL A 13 10.240 -4.574 -21.038 1.00 71.42 H new ATOM 0 HG21 VAL A 13 8.167 -2.743 -19.670 1.00 54.15 H new ATOM 0 HG22 VAL A 13 9.750 -3.140 -18.960 1.00 54.15 H new ATOM 0 HG23 VAL A 13 9.281 -1.439 -19.194 1.00 54.15 H new ATOM 195 N PRO A 14 12.551 0.043 -21.068 1.00 31.33 N ATOM 196 CA PRO A 14 12.785 1.482 -20.920 1.00 0.21 C ATOM 197 C PRO A 14 11.953 2.308 -21.895 1.00 33.01 C ATOM 198 O PRO A 14 12.462 2.788 -22.908 1.00 70.11 O ATOM 199 CB PRO A 14 14.277 1.633 -21.229 1.00 75.45 C ATOM 200 CG PRO A 14 14.602 0.469 -22.101 1.00 32.11 C ATOM 201 CD PRO A 14 13.715 -0.654 -21.640 1.00 20.53 C ATOM 0 HA PRO A 14 12.502 1.841 -19.930 1.00 0.21 H new ATOM 0 HB2 PRO A 14 14.483 2.576 -21.735 1.00 75.45 H new ATOM 0 HB3 PRO A 14 14.873 1.623 -20.317 1.00 75.45 H new ATOM 0 HG2 PRO A 14 14.420 0.704 -23.150 1.00 32.11 H new ATOM 0 HG3 PRO A 14 15.654 0.197 -22.013 1.00 32.11 H new ATOM 0 HD2 PRO A 14 13.428 -1.304 -22.466 1.00 20.53 H new ATOM 0 HD3 PRO A 14 14.212 -1.280 -20.899 1.00 20.53 H new ATOM 209 N ILE A 15 10.672 2.470 -21.582 1.00 75.23 N ATOM 210 CA ILE A 15 9.770 3.239 -22.431 1.00 10.23 C ATOM 211 C ILE A 15 9.239 4.467 -21.698 1.00 24.20 C ATOM 212 O ILE A 15 9.429 5.600 -22.143 1.00 65.51 O ATOM 213 CB ILE A 15 8.580 2.386 -22.907 1.00 71.34 C ATOM 214 CG1 ILE A 15 9.080 1.112 -23.592 1.00 53.03 C ATOM 215 CG2 ILE A 15 7.696 3.189 -23.850 1.00 61.31 C ATOM 216 CD1 ILE A 15 7.969 0.167 -23.995 1.00 43.13 C ATOM 0 H ILE A 15 10.235 2.079 -20.747 1.00 75.23 H new ATOM 0 HA ILE A 15 10.348 3.557 -23.298 1.00 10.23 H new ATOM 0 HB ILE A 15 7.986 2.100 -22.039 1.00 71.34 H new ATOM 0 HG12 ILE A 15 9.652 1.386 -24.478 1.00 53.03 H new ATOM 0 HG13 ILE A 15 9.763 0.592 -22.920 1.00 53.03 H new ATOM 0 HG21 ILE A 15 6.859 2.572 -24.178 1.00 61.31 H new ATOM 0 HG22 ILE A 15 7.317 4.070 -23.332 1.00 61.31 H new ATOM 0 HG23 ILE A 15 8.278 3.501 -24.717 1.00 61.31 H new ATOM 0 HD11 ILE A 15 8.396 -0.714 -24.474 1.00 43.13 H new ATOM 0 HD12 ILE A 15 7.411 -0.137 -23.110 1.00 43.13 H new ATOM 0 HD13 ILE A 15 7.298 0.670 -24.692 1.00 43.13 H new ATOM 228 N LEU A 16 8.575 4.235 -20.571 1.00 51.13 N ATOM 229 CA LEU A 16 8.018 5.322 -19.774 1.00 52.52 C ATOM 230 C LEU A 16 8.939 5.671 -18.609 1.00 72.13 C ATOM 231 O LEU A 16 8.629 5.387 -17.452 1.00 12.30 O ATOM 232 CB LEU A 16 6.634 4.938 -19.248 1.00 11.12 C ATOM 233 CG LEU A 16 5.589 4.580 -20.305 1.00 63.53 C ATOM 234 CD1 LEU A 16 4.305 4.101 -19.646 1.00 51.33 C ATOM 235 CD2 LEU A 16 5.315 5.772 -21.210 1.00 11.12 C ATOM 0 H LEU A 16 8.409 3.304 -20.189 1.00 51.13 H new ATOM 0 HA LEU A 16 7.926 6.199 -20.415 1.00 52.52 H new ATOM 0 HB2 LEU A 16 6.746 4.088 -18.575 1.00 11.12 H new ATOM 0 HB3 LEU A 16 6.251 5.767 -18.653 1.00 11.12 H new ATOM 0 HG LEU A 16 5.983 3.769 -20.917 1.00 63.53 H new ATOM 0 HD11 LEU A 16 3.573 3.851 -20.414 1.00 51.33 H new ATOM 0 HD12 LEU A 16 4.513 3.218 -19.042 1.00 51.33 H new ATOM 0 HD13 LEU A 16 3.907 4.890 -19.009 1.00 51.33 H new ATOM 0 HD21 LEU A 16 4.569 5.498 -21.956 1.00 11.12 H new ATOM 0 HD22 LEU A 16 4.943 6.604 -20.613 1.00 11.12 H new ATOM 0 HD23 LEU A 16 6.237 6.068 -21.711 1.00 11.12 H new ATOM 247 N LYS A 17 10.072 6.290 -18.923 1.00 21.35 N ATOM 248 CA LYS A 17 11.038 6.681 -17.903 1.00 12.13 C ATOM 249 C LYS A 17 10.390 7.583 -16.857 1.00 74.10 C ATOM 250 O LYS A 17 10.646 7.447 -15.660 1.00 54.24 O ATOM 251 CB LYS A 17 12.226 7.400 -18.545 1.00 62.04 C ATOM 252 CG LYS A 17 13.140 6.479 -19.335 1.00 30.43 C ATOM 253 CD LYS A 17 12.834 6.530 -20.822 1.00 72.02 C ATOM 254 CE LYS A 17 13.792 5.658 -21.619 1.00 3.21 C ATOM 255 NZ LYS A 17 14.428 6.410 -22.736 1.00 2.42 N ATOM 0 H LYS A 17 10.344 6.532 -19.876 1.00 21.35 H new ATOM 0 HA LYS A 17 11.392 5.777 -17.409 1.00 12.13 H new ATOM 0 HB2 LYS A 17 11.853 8.182 -19.206 1.00 62.04 H new ATOM 0 HB3 LYS A 17 12.807 7.893 -17.765 1.00 62.04 H new ATOM 0 HG2 LYS A 17 14.179 6.764 -19.167 1.00 30.43 H new ATOM 0 HG3 LYS A 17 13.027 5.457 -18.974 1.00 30.43 H new ATOM 0 HD2 LYS A 17 11.810 6.199 -20.995 1.00 72.02 H new ATOM 0 HD3 LYS A 17 12.900 7.560 -21.173 1.00 72.02 H new ATOM 0 HE2 LYS A 17 14.565 5.269 -20.957 1.00 3.21 H new ATOM 0 HE3 LYS A 17 13.254 4.799 -22.020 1.00 3.21 H new ATOM 0 HZ1 LYS A 17 15.074 5.781 -23.255 1.00 2.42 H new ATOM 0 HZ2 LYS A 17 13.692 6.760 -23.382 1.00 2.42 H new ATOM 0 HZ3 LYS A 17 14.963 7.215 -22.352 1.00 2.42 H new ATOM 269 N LYS A 18 9.548 8.503 -17.316 1.00 30.11 N ATOM 270 CA LYS A 18 8.860 9.426 -16.421 1.00 22.23 C ATOM 271 C LYS A 18 8.047 8.667 -15.377 1.00 24.14 C ATOM 272 O LYS A 18 8.019 9.043 -14.205 1.00 55.23 O ATOM 273 CB LYS A 18 7.943 10.355 -17.219 1.00 44.32 C ATOM 274 CG LYS A 18 7.968 11.795 -16.737 1.00 13.24 C ATOM 275 CD LYS A 18 9.268 12.487 -17.111 1.00 53.11 C ATOM 276 CE LYS A 18 9.759 13.394 -15.993 1.00 32.31 C ATOM 277 NZ LYS A 18 10.770 12.717 -15.134 1.00 14.02 N ATOM 0 H LYS A 18 9.326 8.629 -18.303 1.00 30.11 H new ATOM 0 HA LYS A 18 9.613 10.023 -15.907 1.00 22.23 H new ATOM 0 HB2 LYS A 18 8.236 10.327 -18.269 1.00 44.32 H new ATOM 0 HB3 LYS A 18 6.921 9.979 -17.163 1.00 44.32 H new ATOM 0 HG2 LYS A 18 7.128 12.339 -17.169 1.00 13.24 H new ATOM 0 HG3 LYS A 18 7.840 11.819 -15.655 1.00 13.24 H new ATOM 0 HD2 LYS A 18 10.028 11.739 -17.334 1.00 53.11 H new ATOM 0 HD3 LYS A 18 9.121 13.073 -18.018 1.00 53.11 H new ATOM 0 HE2 LYS A 18 10.193 14.297 -16.422 1.00 32.31 H new ATOM 0 HE3 LYS A 18 8.913 13.707 -15.381 1.00 32.31 H new ATOM 0 HZ1 LYS A 18 11.080 13.368 -14.384 1.00 14.02 H new ATOM 0 HZ2 LYS A 18 10.348 11.869 -14.704 1.00 14.02 H new ATOM 0 HZ3 LYS A 18 11.589 12.441 -15.713 1.00 14.02 H new ATOM 291 N ALA A 19 7.390 7.596 -15.809 1.00 53.10 N ATOM 292 CA ALA A 19 6.580 6.783 -14.911 1.00 33.33 C ATOM 293 C ALA A 19 7.457 5.964 -13.970 1.00 63.11 C ATOM 294 O ALA A 19 7.210 5.909 -12.766 1.00 32.51 O ATOM 295 CB ALA A 19 5.662 5.869 -15.709 1.00 62.42 C ATOM 0 H ALA A 19 7.403 7.271 -16.776 1.00 53.10 H new ATOM 0 HA ALA A 19 5.970 7.453 -14.306 1.00 33.33 H new ATOM 0 HB1 ALA A 19 5.063 5.268 -15.025 1.00 62.42 H new ATOM 0 HB2 ALA A 19 5.003 6.471 -16.335 1.00 62.42 H new ATOM 0 HB3 ALA A 19 6.261 5.212 -16.340 1.00 62.42 H new ATOM 301 N ALA A 20 8.483 5.329 -14.528 1.00 31.10 N ATOM 302 CA ALA A 20 9.398 4.514 -13.738 1.00 72.03 C ATOM 303 C ALA A 20 10.090 5.348 -12.666 1.00 14.35 C ATOM 304 O ALA A 20 10.168 4.942 -11.506 1.00 43.35 O ATOM 305 CB ALA A 20 10.428 3.852 -14.641 1.00 43.11 C ATOM 0 H ALA A 20 8.701 5.363 -15.524 1.00 31.10 H new ATOM 0 HA ALA A 20 8.817 3.739 -13.239 1.00 72.03 H new ATOM 0 HB1 ALA A 20 11.105 3.247 -14.038 1.00 43.11 H new ATOM 0 HB2 ALA A 20 9.921 3.216 -15.366 1.00 43.11 H new ATOM 0 HB3 ALA A 20 10.998 4.619 -15.166 1.00 43.11 H new ATOM 311 N GLN A 21 10.590 6.515 -13.060 1.00 75.34 N ATOM 312 CA GLN A 21 11.276 7.405 -12.132 1.00 20.34 C ATOM 313 C GLN A 21 10.302 7.982 -11.110 1.00 32.10 C ATOM 314 O GLN A 21 10.678 8.276 -9.976 1.00 74.30 O ATOM 315 CB GLN A 21 11.965 8.538 -12.893 1.00 64.05 C ATOM 316 CG GLN A 21 13.471 8.365 -13.010 1.00 61.33 C ATOM 317 CD GLN A 21 14.083 9.269 -14.062 1.00 52.10 C ATOM 318 OE1 GLN A 21 13.871 9.079 -15.260 1.00 53.31 O ATOM 319 NE2 GLN A 21 14.847 10.260 -13.619 1.00 0.52 N ATOM 0 H GLN A 21 10.533 6.866 -14.016 1.00 75.34 H new ATOM 0 HA GLN A 21 12.029 6.823 -11.601 1.00 20.34 H new ATOM 0 HB2 GLN A 21 11.537 8.606 -13.893 1.00 64.05 H new ATOM 0 HB3 GLN A 21 11.754 9.482 -12.391 1.00 64.05 H new ATOM 0 HG2 GLN A 21 13.933 8.573 -12.045 1.00 61.33 H new ATOM 0 HG3 GLN A 21 13.696 7.327 -13.254 1.00 61.33 H new ATOM 0 HE21 GLN A 21 14.996 10.381 -12.617 1.00 0.52 H new ATOM 0 HE22 GLN A 21 15.285 10.901 -14.280 1.00 0.52 H new ATOM 328 N GLY A 22 9.047 8.142 -11.520 1.00 43.25 N ATOM 329 CA GLY A 22 8.039 8.684 -10.629 1.00 14.21 C ATOM 330 C GLY A 22 7.930 7.904 -9.334 1.00 1.22 C ATOM 331 O GLY A 22 7.568 8.458 -8.295 1.00 5.52 O ATOM 0 H GLY A 22 8.711 7.906 -12.454 1.00 43.25 H new ATOM 0 HA2 GLY A 22 8.278 9.723 -10.404 1.00 14.21 H new ATOM 0 HA3 GLY A 22 7.073 8.681 -11.134 1.00 14.21 H new ATOM 335 N LEU A 23 8.242 6.614 -9.394 1.00 51.41 N ATOM 336 CA LEU A 23 8.176 5.755 -8.217 1.00 2.53 C ATOM 337 C LEU A 23 9.319 6.062 -7.255 1.00 25.14 C ATOM 338 O LEU A 23 9.470 5.406 -6.223 1.00 51.32 O ATOM 339 CB LEU A 23 8.224 4.284 -8.631 1.00 70.23 C ATOM 340 CG LEU A 23 7.264 3.869 -9.747 1.00 11.30 C ATOM 341 CD1 LEU A 23 7.239 2.356 -9.894 1.00 75.15 C ATOM 342 CD2 LEU A 23 5.866 4.404 -9.473 1.00 73.14 C ATOM 0 H LEU A 23 8.543 6.140 -10.245 1.00 51.41 H new ATOM 0 HA LEU A 23 7.233 5.951 -7.707 1.00 2.53 H new ATOM 0 HB2 LEU A 23 9.240 4.049 -8.947 1.00 70.23 H new ATOM 0 HB3 LEU A 23 8.014 3.673 -7.753 1.00 70.23 H new ATOM 0 HG LEU A 23 7.618 4.298 -10.684 1.00 11.30 H new ATOM 0 HD11 LEU A 23 6.551 2.079 -10.693 1.00 75.15 H new ATOM 0 HD12 LEU A 23 8.239 1.997 -10.137 1.00 75.15 H new ATOM 0 HD13 LEU A 23 6.909 1.905 -8.958 1.00 75.15 H new ATOM 0 HD21 LEU A 23 5.196 4.099 -10.277 1.00 73.14 H new ATOM 0 HD22 LEU A 23 5.502 4.004 -8.526 1.00 73.14 H new ATOM 0 HD23 LEU A 23 5.897 5.492 -9.419 1.00 73.14 H new ATOM 354 N CYS A 24 10.122 7.064 -7.598 1.00 21.33 N ATOM 355 CA CYS A 24 11.251 7.459 -6.765 1.00 1.54 C ATOM 356 C CYS A 24 11.126 8.919 -6.336 1.00 33.41 C ATOM 357 O CYS A 24 11.207 9.236 -5.149 1.00 11.50 O ATOM 358 CB CYS A 24 12.566 7.249 -7.518 1.00 22.03 C ATOM 359 SG CYS A 24 13.734 6.133 -6.676 1.00 65.02 S ATOM 0 H CYS A 24 10.011 7.617 -8.448 1.00 21.33 H new ATOM 0 HA CYS A 24 11.247 6.834 -5.872 1.00 1.54 H new ATOM 0 HB2 CYS A 24 12.346 6.848 -8.507 1.00 22.03 H new ATOM 0 HB3 CYS A 24 13.046 8.216 -7.666 1.00 22.03 H new ATOM 364 N ILE A 25 10.927 9.801 -7.310 1.00 23.53 N ATOM 365 CA ILE A 25 10.789 11.225 -7.033 1.00 63.01 C ATOM 366 C ILE A 25 9.508 11.513 -6.258 1.00 23.24 C ATOM 367 O ILE A 25 9.521 12.237 -5.261 1.00 61.42 O ATOM 368 CB ILE A 25 10.787 12.053 -8.332 1.00 31.03 C ATOM 369 CG1 ILE A 25 12.084 11.824 -9.111 1.00 34.31 C ATOM 370 CG2 ILE A 25 10.605 13.530 -8.018 1.00 5.45 C ATOM 371 CD1 ILE A 25 11.964 10.765 -10.184 1.00 63.34 C ATOM 0 H ILE A 25 10.858 9.554 -8.297 1.00 23.53 H new ATOM 0 HA ILE A 25 11.649 11.514 -6.429 1.00 63.01 H new ATOM 0 HB ILE A 25 9.951 11.728 -8.952 1.00 31.03 H new ATOM 0 HG12 ILE A 25 12.393 12.763 -9.571 1.00 34.31 H new ATOM 0 HG13 ILE A 25 12.871 11.536 -8.414 1.00 34.31 H new ATOM 0 HG21 ILE A 25 10.606 14.102 -8.946 1.00 5.45 H new ATOM 0 HG22 ILE A 25 9.657 13.678 -7.501 1.00 5.45 H new ATOM 0 HG23 ILE A 25 11.422 13.870 -7.382 1.00 5.45 H new ATOM 0 HD11 ILE A 25 12.920 10.655 -10.696 1.00 63.34 H new ATOM 0 HD12 ILE A 25 11.685 9.815 -9.728 1.00 63.34 H new ATOM 0 HD13 ILE A 25 11.200 11.060 -10.903 1.00 63.34 H new ATOM 383 N THR A 26 8.401 10.940 -6.720 1.00 64.30 N ATOM 384 CA THR A 26 7.111 11.134 -6.070 1.00 65.41 C ATOM 385 C THR A 26 7.014 10.317 -4.787 1.00 22.14 C ATOM 386 O THR A 26 6.439 10.766 -3.796 1.00 14.33 O ATOM 387 CB THR A 26 5.949 10.744 -7.002 1.00 54.22 C ATOM 388 OG1 THR A 26 5.207 11.911 -7.374 1.00 41.42 O ATOM 389 CG2 THR A 26 5.024 9.744 -6.325 1.00 52.10 C ATOM 0 H THR A 26 8.372 10.337 -7.542 1.00 64.30 H new ATOM 0 HA THR A 26 7.034 12.194 -5.829 1.00 65.41 H new ATOM 0 HB THR A 26 6.369 10.280 -7.895 1.00 54.22 H new ATOM 0 HG1 THR A 26 4.471 11.655 -7.968 1.00 41.42 H new ATOM 0 HG21 THR A 26 4.211 9.484 -7.003 1.00 52.10 H new ATOM 0 HG22 THR A 26 5.585 8.845 -6.069 1.00 52.10 H new ATOM 0 HG23 THR A 26 4.612 10.186 -5.417 1.00 52.10 H new ATOM 397 N SER A 27 7.581 9.115 -4.811 1.00 61.11 N ATOM 398 CA SER A 27 7.555 8.234 -3.649 1.00 63.25 C ATOM 399 C SER A 27 8.246 8.887 -2.456 1.00 50.44 C ATOM 400 O SER A 27 7.877 8.653 -1.305 1.00 61.33 O ATOM 401 CB SER A 27 8.232 6.902 -3.978 1.00 63.32 C ATOM 402 OG SER A 27 7.685 5.847 -3.205 1.00 42.35 O ATOM 0 H SER A 27 8.064 8.729 -5.622 1.00 61.11 H new ATOM 0 HA SER A 27 6.513 8.050 -3.387 1.00 63.25 H new ATOM 0 HB2 SER A 27 8.110 6.681 -5.038 1.00 63.32 H new ATOM 0 HB3 SER A 27 9.303 6.978 -3.789 1.00 63.32 H new ATOM 0 HG SER A 27 8.133 5.006 -3.435 1.00 42.35 H new ATOM 408 N CYS A 28 9.251 9.709 -2.740 1.00 11.31 N ATOM 409 CA CYS A 28 9.995 10.398 -1.692 1.00 61.24 C ATOM 410 C CYS A 28 9.161 11.519 -1.080 1.00 1.41 C ATOM 411 O CYS A 28 9.127 11.687 0.139 1.00 5.40 O ATOM 412 CB CYS A 28 11.300 10.966 -2.254 1.00 51.11 C ATOM 413 SG CYS A 28 12.794 10.407 -1.374 1.00 51.42 S ATOM 0 H CYS A 28 9.569 9.914 -3.687 1.00 11.31 H new ATOM 0 HA CYS A 28 10.228 9.675 -0.910 1.00 61.24 H new ATOM 0 HB2 CYS A 28 11.383 10.686 -3.304 1.00 51.11 H new ATOM 0 HB3 CYS A 28 11.256 12.054 -2.217 1.00 51.11 H new ATOM 418 N SER A 29 8.489 12.284 -1.935 1.00 20.03 N ATOM 419 CA SER A 29 7.658 13.392 -1.479 1.00 34.23 C ATOM 420 C SER A 29 6.613 12.910 -0.476 1.00 41.33 C ATOM 421 O SER A 29 6.221 13.646 0.429 1.00 22.44 O ATOM 422 CB SER A 29 6.968 14.063 -2.668 1.00 62.01 C ATOM 423 OG SER A 29 6.751 15.441 -2.421 1.00 3.34 O ATOM 0 H SER A 29 8.504 12.157 -2.947 1.00 20.03 H new ATOM 0 HA SER A 29 8.303 14.119 -0.985 1.00 34.23 H new ATOM 0 HB2 SER A 29 7.579 13.943 -3.562 1.00 62.01 H new ATOM 0 HB3 SER A 29 6.015 13.571 -2.864 1.00 62.01 H new ATOM 0 HG SER A 29 6.310 15.847 -3.197 1.00 3.34 H new ATOM 429 N MET A 30 6.167 11.670 -0.646 1.00 54.21 N ATOM 430 CA MET A 30 5.168 11.089 0.244 1.00 3.10 C ATOM 431 C MET A 30 5.776 10.768 1.606 1.00 74.21 C ATOM 432 O MET A 30 5.056 10.556 2.581 1.00 13.54 O ATOM 433 CB MET A 30 4.577 9.821 -0.376 1.00 3.42 C ATOM 434 CG MET A 30 4.320 9.938 -1.869 1.00 53.43 C ATOM 435 SD MET A 30 2.719 9.263 -2.353 1.00 42.50 S ATOM 436 CE MET A 30 3.197 7.633 -2.919 1.00 35.52 C ATOM 0 H MET A 30 6.481 11.048 -1.391 1.00 54.21 H new ATOM 0 HA MET A 30 4.372 11.820 0.384 1.00 3.10 H new ATOM 0 HB2 MET A 30 5.257 8.988 -0.197 1.00 3.42 H new ATOM 0 HB3 MET A 30 3.640 9.582 0.128 1.00 3.42 H new ATOM 0 HG2 MET A 30 4.371 10.987 -2.162 1.00 53.43 H new ATOM 0 HG3 MET A 30 5.109 9.417 -2.412 1.00 53.43 H new ATOM 0 HE1 MET A 30 2.313 7.090 -3.252 1.00 35.52 H new ATOM 0 HE2 MET A 30 3.899 7.727 -3.748 1.00 35.52 H new ATOM 0 HE3 MET A 30 3.671 7.089 -2.102 1.00 35.52 H new ATOM 446 N GLN A 31 7.103 10.733 1.664 1.00 70.54 N ATOM 447 CA GLN A 31 7.805 10.436 2.906 1.00 24.34 C ATOM 448 C GLN A 31 8.473 11.687 3.467 1.00 54.41 C ATOM 449 O GLN A 31 9.383 11.602 4.289 1.00 24.53 O ATOM 450 CB GLN A 31 8.853 9.345 2.677 1.00 74.51 C ATOM 451 CG GLN A 31 8.533 8.432 1.504 1.00 21.31 C ATOM 452 CD GLN A 31 8.937 6.993 1.758 1.00 60.34 C ATOM 453 OE1 GLN A 31 9.988 6.541 1.301 1.00 12.23 O ATOM 454 NE2 GLN A 31 8.103 6.263 2.489 1.00 55.31 N ATOM 0 H GLN A 31 7.713 10.907 0.865 1.00 70.54 H new ATOM 0 HA GLN A 31 7.072 10.081 3.631 1.00 24.34 H new ATOM 0 HB2 GLN A 31 9.823 9.814 2.508 1.00 74.51 H new ATOM 0 HB3 GLN A 31 8.943 8.743 3.581 1.00 74.51 H new ATOM 0 HG2 GLN A 31 7.464 8.474 1.297 1.00 21.31 H new ATOM 0 HG3 GLN A 31 9.045 8.797 0.614 1.00 21.31 H new ATOM 0 HE21 GLN A 31 7.243 6.677 2.848 1.00 55.31 H new ATOM 0 HE22 GLN A 31 8.322 5.288 2.692 1.00 55.31 H new ATOM 463 N ASN A 32 8.013 12.850 3.015 1.00 33.23 N ATOM 464 CA ASN A 32 8.566 14.120 3.471 1.00 21.23 C ATOM 465 C ASN A 32 10.017 14.273 3.024 1.00 55.21 C ATOM 466 O ASN A 32 10.863 14.755 3.777 1.00 14.55 O ATOM 467 CB ASN A 32 8.477 14.221 4.995 1.00 24.45 C ATOM 468 CG ASN A 32 7.162 13.692 5.534 1.00 0.23 C ATOM 469 OD1 ASN A 32 7.130 12.699 6.260 1.00 23.54 O ATOM 470 ND2 ASN A 32 6.068 14.356 5.180 1.00 41.32 N ATOM 0 H ASN A 32 7.259 12.939 2.334 1.00 33.23 H new ATOM 0 HA ASN A 32 7.980 14.924 3.025 1.00 21.23 H new ATOM 0 HB2 ASN A 32 9.300 13.664 5.442 1.00 24.45 H new ATOM 0 HB3 ASN A 32 8.597 15.262 5.295 1.00 24.45 H new ATOM 0 HD21 ASN A 32 5.154 14.047 5.512 1.00 41.32 H new ATOM 0 HD22 ASN A 32 6.141 15.175 4.576 1.00 41.32 H new ATOM 477 N CYS A 33 10.297 13.860 1.792 1.00 12.24 N ATOM 478 CA CYS A 33 11.644 13.951 1.243 1.00 41.21 C ATOM 479 C CYS A 33 11.729 15.053 0.191 1.00 41.05 C ATOM 480 O CYS A 33 10.781 15.811 -0.008 1.00 11.45 O ATOM 481 CB CYS A 33 12.059 12.612 0.630 1.00 51.22 C ATOM 482 SG CYS A 33 12.274 11.273 1.846 1.00 71.45 S ATOM 0 H CYS A 33 9.608 13.459 1.155 1.00 12.24 H new ATOM 0 HA CYS A 33 12.326 14.197 2.057 1.00 41.21 H new ATOM 0 HB2 CYS A 33 11.307 12.309 -0.099 1.00 51.22 H new ATOM 0 HB3 CYS A 33 12.994 12.748 0.086 1.00 51.22 H new ATOM 487 N GLY A 34 12.873 15.134 -0.482 1.00 41.43 N ATOM 488 CA GLY A 34 13.061 16.146 -1.506 1.00 24.40 C ATOM 489 C GLY A 34 13.037 15.565 -2.906 1.00 21.01 C ATOM 490 O GLY A 34 12.225 15.967 -3.740 1.00 33.13 O ATOM 0 H GLY A 34 13.672 14.517 -0.337 1.00 41.43 H new ATOM 0 HA2 GLY A 34 12.279 16.900 -1.415 1.00 24.40 H new ATOM 0 HA3 GLY A 34 14.012 16.652 -1.342 1.00 24.40 H new ATOM 494 N THR A 35 13.932 14.617 -3.167 1.00 75.33 N ATOM 495 CA THR A 35 14.012 13.982 -4.477 1.00 32.33 C ATOM 496 C THR A 35 14.413 12.516 -4.353 1.00 51.24 C ATOM 497 O THR A 35 14.613 12.008 -3.251 1.00 64.01 O ATOM 498 CB THR A 35 15.021 14.703 -5.390 1.00 54.31 C ATOM 499 OG1 THR A 35 14.857 14.265 -6.743 1.00 54.14 O ATOM 500 CG2 THR A 35 16.448 14.439 -4.935 1.00 71.54 C ATOM 0 H THR A 35 14.611 14.272 -2.489 1.00 75.33 H new ATOM 0 HA THR A 35 13.019 14.048 -4.922 1.00 32.33 H new ATOM 0 HB THR A 35 14.830 15.775 -5.330 1.00 54.31 H new ATOM 0 HG1 THR A 35 15.501 14.729 -7.317 1.00 54.14 H new ATOM 0 HG21 THR A 35 17.142 14.959 -5.595 1.00 71.54 H new ATOM 0 HG22 THR A 35 16.577 14.801 -3.915 1.00 71.54 H new ATOM 0 HG23 THR A 35 16.648 13.368 -4.968 1.00 71.54 H new ATOM 508 N GLY A 36 14.529 11.841 -5.493 1.00 42.21 N ATOM 509 CA GLY A 36 14.907 10.440 -5.490 1.00 72.00 C ATOM 510 C GLY A 36 15.203 9.916 -6.881 1.00 54.24 C ATOM 511 O GLY A 36 14.400 10.084 -7.799 1.00 54.51 O ATOM 0 H GLY A 36 14.368 12.240 -6.418 1.00 42.21 H new ATOM 0 HA2 GLY A 36 15.786 10.306 -4.860 1.00 72.00 H new ATOM 0 HA3 GLY A 36 14.104 9.851 -5.047 1.00 72.00 H new ATOM 515 N SER A 37 16.359 9.281 -7.039 1.00 63.43 N ATOM 516 CA SER A 37 16.762 8.735 -8.330 1.00 52.45 C ATOM 517 C SER A 37 16.946 7.223 -8.248 1.00 4.21 C ATOM 518 O SER A 37 17.394 6.695 -7.229 1.00 53.23 O ATOM 519 CB SER A 37 18.059 9.394 -8.804 1.00 21.21 C ATOM 520 OG SER A 37 18.042 9.604 -10.205 1.00 44.12 O ATOM 0 H SER A 37 17.034 9.132 -6.289 1.00 63.43 H new ATOM 0 HA SER A 37 15.971 8.948 -9.049 1.00 52.45 H new ATOM 0 HB2 SER A 37 18.195 10.347 -8.292 1.00 21.21 H new ATOM 0 HB3 SER A 37 18.909 8.765 -8.538 1.00 21.21 H new ATOM 0 HG SER A 37 18.881 10.028 -10.482 1.00 44.12 H new ATOM 526 N CYS A 38 16.599 6.531 -9.328 1.00 15.24 N ATOM 527 CA CYS A 38 16.724 5.080 -9.380 1.00 24.34 C ATOM 528 C CYS A 38 17.784 4.662 -10.395 1.00 74.44 C ATOM 529 O CYS A 38 17.906 5.260 -11.464 1.00 55.15 O ATOM 530 CB CYS A 38 15.380 4.443 -9.737 1.00 31.21 C ATOM 531 SG CYS A 38 14.784 4.853 -11.409 1.00 33.14 S ATOM 0 H CYS A 38 16.229 6.953 -10.180 1.00 15.24 H new ATOM 0 HA CYS A 38 17.032 4.731 -8.394 1.00 24.34 H new ATOM 0 HB2 CYS A 38 15.469 3.360 -9.650 1.00 31.21 H new ATOM 0 HB3 CYS A 38 14.634 4.761 -9.009 1.00 31.21 H new ATOM 536 N LYS A 39 18.548 3.630 -10.054 1.00 60.20 N ATOM 537 CA LYS A 39 19.596 3.129 -10.935 1.00 43.00 C ATOM 538 C LYS A 39 19.727 1.614 -10.819 1.00 21.35 C ATOM 539 O LYS A 39 19.524 1.043 -9.747 1.00 4.25 O ATOM 540 CB LYS A 39 20.933 3.794 -10.600 1.00 43.23 C ATOM 541 CG LYS A 39 20.839 5.301 -10.438 1.00 10.42 C ATOM 542 CD LYS A 39 22.165 5.899 -9.998 1.00 31.25 C ATOM 543 CE LYS A 39 22.216 7.396 -10.259 1.00 53.31 C ATOM 544 NZ LYS A 39 23.193 7.740 -11.329 1.00 75.44 N ATOM 0 H LYS A 39 18.461 3.124 -9.173 1.00 60.20 H new ATOM 0 HA LYS A 39 19.321 3.375 -11.961 1.00 43.00 H new ATOM 0 HB2 LYS A 39 21.323 3.362 -9.679 1.00 43.23 H new ATOM 0 HB3 LYS A 39 21.650 3.566 -11.388 1.00 43.23 H new ATOM 0 HG2 LYS A 39 20.532 5.751 -11.382 1.00 10.42 H new ATOM 0 HG3 LYS A 39 20.069 5.542 -9.705 1.00 10.42 H new ATOM 0 HD2 LYS A 39 22.316 5.709 -8.935 1.00 31.25 H new ATOM 0 HD3 LYS A 39 22.981 5.408 -10.529 1.00 31.25 H new ATOM 0 HE2 LYS A 39 21.225 7.749 -10.545 1.00 53.31 H new ATOM 0 HE3 LYS A 39 22.486 7.916 -9.340 1.00 53.31 H new ATOM 0 HZ1 LYS A 39 23.198 8.769 -11.477 1.00 75.44 H new ATOM 0 HZ2 LYS A 39 24.143 7.426 -11.045 1.00 75.44 H new ATOM 0 HZ3 LYS A 39 22.921 7.265 -12.213 1.00 75.44 H new ATOM 558 N LYS A 40 20.068 0.967 -11.928 1.00 24.12 N ATOM 559 CA LYS A 40 20.229 -0.482 -11.950 1.00 64.14 C ATOM 560 C LYS A 40 21.423 -0.910 -11.102 1.00 71.25 C ATOM 561 O LYS A 40 22.569 -0.597 -11.424 1.00 41.33 O ATOM 562 CB LYS A 40 20.410 -0.973 -13.388 1.00 75.55 C ATOM 563 CG LYS A 40 19.170 -1.635 -13.965 1.00 32.01 C ATOM 564 CD LYS A 40 18.773 -2.867 -13.168 1.00 44.23 C ATOM 565 CE LYS A 40 17.760 -3.715 -13.921 1.00 14.12 C ATOM 566 NZ LYS A 40 18.278 -4.153 -15.246 1.00 53.24 N ATOM 0 H LYS A 40 20.238 1.424 -12.824 1.00 24.12 H new ATOM 0 HA LYS A 40 19.328 -0.929 -11.530 1.00 64.14 H new ATOM 0 HB2 LYS A 40 20.688 -0.129 -14.019 1.00 75.55 H new ATOM 0 HB3 LYS A 40 21.238 -1.681 -13.420 1.00 75.55 H new ATOM 0 HG2 LYS A 40 18.345 -0.923 -13.970 1.00 32.01 H new ATOM 0 HG3 LYS A 40 19.355 -1.915 -15.002 1.00 32.01 H new ATOM 0 HD2 LYS A 40 19.660 -3.463 -12.952 1.00 44.23 H new ATOM 0 HD3 LYS A 40 18.353 -2.562 -12.210 1.00 44.23 H new ATOM 0 HE2 LYS A 40 17.504 -4.590 -13.324 1.00 14.12 H new ATOM 0 HE3 LYS A 40 16.842 -3.145 -14.061 1.00 14.12 H new ATOM 0 HZ1 LYS A 40 17.882 -5.085 -15.483 1.00 53.24 H new ATOM 0 HZ2 LYS A 40 17.999 -3.463 -15.973 1.00 53.24 H new ATOM 0 HZ3 LYS A 40 19.315 -4.217 -15.209 1.00 53.24 H new ATOM 580 N ARG A 41 21.146 -1.629 -10.019 1.00 41.24 N ATOM 581 CA ARG A 41 22.197 -2.100 -9.126 1.00 4.01 C ATOM 582 C ARG A 41 22.439 -3.595 -9.312 1.00 25.01 C ATOM 583 O ARG A 41 21.615 -4.421 -8.920 1.00 51.14 O ATOM 584 CB ARG A 41 21.827 -1.810 -7.670 1.00 41.43 C ATOM 585 CG ARG A 41 21.628 -0.332 -7.376 1.00 3.25 C ATOM 586 CD ARG A 41 22.928 0.445 -7.520 1.00 73.22 C ATOM 587 NE ARG A 41 23.918 0.045 -6.524 1.00 61.02 N ATOM 588 CZ ARG A 41 23.895 0.453 -5.260 1.00 62.32 C ATOM 589 NH1 ARG A 41 22.937 1.267 -4.840 1.00 41.31 N ATOM 590 NH2 ARG A 41 24.832 0.045 -4.413 1.00 52.22 N ATOM 0 H ARG A 41 20.203 -1.898 -9.739 1.00 41.24 H new ATOM 0 HA ARG A 41 23.115 -1.567 -9.374 1.00 4.01 H new ATOM 0 HB2 ARG A 41 20.912 -2.348 -7.422 1.00 41.43 H new ATOM 0 HB3 ARG A 41 22.611 -2.199 -7.020 1.00 41.43 H new ATOM 0 HG2 ARG A 41 20.881 0.078 -8.056 1.00 3.25 H new ATOM 0 HG3 ARG A 41 21.240 -0.210 -6.365 1.00 3.25 H new ATOM 0 HD2 ARG A 41 23.335 0.288 -8.519 1.00 73.22 H new ATOM 0 HD3 ARG A 41 22.726 1.512 -7.422 1.00 73.22 H new ATOM 0 HE ARG A 41 24.668 -0.582 -6.815 1.00 61.02 H new ATOM 0 HH11 ARG A 41 22.215 1.582 -5.488 1.00 41.31 H new ATOM 0 HH12 ARG A 41 22.922 1.579 -3.869 1.00 41.31 H new ATOM 0 HH21 ARG A 41 25.570 -0.582 -4.733 1.00 52.22 H new ATOM 0 HH22 ARG A 41 24.814 0.359 -3.443 1.00 52.22 H new ATOM 604 N SER A 42 23.575 -3.935 -9.912 1.00 65.23 N ATOM 605 CA SER A 42 23.924 -5.330 -10.154 1.00 62.24 C ATOM 606 C SER A 42 22.869 -6.012 -11.021 1.00 1.55 C ATOM 607 O SER A 42 22.629 -7.212 -10.897 1.00 41.22 O ATOM 608 CB SER A 42 24.072 -6.078 -8.828 1.00 64.41 C ATOM 609 OG SER A 42 25.219 -6.911 -8.837 1.00 44.44 O ATOM 0 H SER A 42 24.270 -3.264 -10.240 1.00 65.23 H new ATOM 0 HA SER A 42 24.876 -5.354 -10.685 1.00 62.24 H new ATOM 0 HB2 SER A 42 24.145 -5.362 -8.009 1.00 64.41 H new ATOM 0 HB3 SER A 42 23.182 -6.681 -8.646 1.00 64.41 H new ATOM 0 HG SER A 42 25.292 -7.377 -7.978 1.00 44.44 H new ATOM 615 N GLY A 43 22.241 -5.235 -11.898 1.00 42.22 N ATOM 616 CA GLY A 43 21.219 -5.779 -12.773 1.00 31.35 C ATOM 617 C GLY A 43 19.853 -5.812 -12.117 1.00 15.00 C ATOM 618 O GLY A 43 18.901 -6.355 -12.678 1.00 35.25 O ATOM 0 H GLY A 43 22.422 -4.238 -12.018 1.00 42.22 H new ATOM 0 HA2 GLY A 43 21.168 -5.181 -13.683 1.00 31.35 H new ATOM 0 HA3 GLY A 43 21.500 -6.789 -13.071 1.00 31.35 H new ATOM 622 N ARG A 44 19.755 -5.231 -10.926 1.00 4.42 N ATOM 623 CA ARG A 44 18.496 -5.198 -10.192 1.00 1.00 C ATOM 624 C ARG A 44 17.959 -3.773 -10.097 1.00 1.12 C ATOM 625 O ARG A 44 18.686 -2.829 -9.787 1.00 41.32 O ATOM 626 CB ARG A 44 18.684 -5.779 -8.789 1.00 54.51 C ATOM 627 CG ARG A 44 19.188 -7.212 -8.786 1.00 24.23 C ATOM 628 CD ARG A 44 18.048 -8.205 -8.945 1.00 55.12 C ATOM 629 NE ARG A 44 18.393 -9.295 -9.854 1.00 43.40 N ATOM 630 CZ ARG A 44 17.556 -10.272 -10.181 1.00 73.32 C ATOM 631 NH1 ARG A 44 16.330 -10.296 -9.677 1.00 32.11 N ATOM 632 NH2 ARG A 44 17.944 -11.229 -11.015 1.00 51.20 N ATOM 0 H ARG A 44 20.533 -4.776 -10.448 1.00 4.42 H new ATOM 0 HA ARG A 44 17.772 -5.805 -10.735 1.00 1.00 H new ATOM 0 HB2 ARG A 44 19.387 -5.154 -8.238 1.00 54.51 H new ATOM 0 HB3 ARG A 44 17.734 -5.736 -8.257 1.00 54.51 H new ATOM 0 HG2 ARG A 44 19.906 -7.348 -9.595 1.00 24.23 H new ATOM 0 HG3 ARG A 44 19.717 -7.411 -7.854 1.00 24.23 H new ATOM 0 HD2 ARG A 44 17.787 -8.616 -7.970 1.00 55.12 H new ATOM 0 HD3 ARG A 44 17.165 -7.686 -9.320 1.00 55.12 H new ATOM 0 HE ARG A 44 19.329 -9.306 -10.260 1.00 43.40 H new ATOM 0 HH11 ARG A 44 16.028 -9.562 -9.036 1.00 32.11 H new ATOM 0 HH12 ARG A 44 15.689 -11.048 -9.930 1.00 32.11 H new ATOM 0 HH21 ARG A 44 18.886 -11.214 -11.405 1.00 51.20 H new ATOM 0 HH22 ARG A 44 17.300 -11.979 -11.265 1.00 51.20 H new ATOM 646 N PRO A 45 16.656 -3.612 -10.369 1.00 53.05 N ATOM 647 CA PRO A 45 15.992 -2.306 -10.321 1.00 43.32 C ATOM 648 C PRO A 45 15.860 -1.775 -8.898 1.00 5.41 C ATOM 649 O PRO A 45 14.888 -2.067 -8.202 1.00 35.40 O ATOM 650 CB PRO A 45 14.611 -2.587 -10.917 1.00 34.30 C ATOM 651 CG PRO A 45 14.378 -4.037 -10.666 1.00 23.21 C ATOM 652 CD PRO A 45 15.729 -4.693 -10.745 1.00 41.03 C ATOM 0 HA PRO A 45 16.555 -1.543 -10.858 1.00 43.32 H new ATOM 0 HB2 PRO A 45 13.843 -1.975 -10.443 1.00 34.30 H new ATOM 0 HB3 PRO A 45 14.586 -2.361 -11.983 1.00 34.30 H new ATOM 0 HG2 PRO A 45 13.924 -4.196 -9.688 1.00 23.21 H new ATOM 0 HG3 PRO A 45 13.696 -4.457 -11.406 1.00 23.21 H new ATOM 0 HD2 PRO A 45 15.804 -5.541 -10.065 1.00 41.03 H new ATOM 0 HD3 PRO A 45 15.935 -5.069 -11.747 1.00 41.03 H new ATOM 660 N THR A 46 16.846 -0.991 -8.470 1.00 34.23 N ATOM 661 CA THR A 46 16.840 -0.420 -7.129 1.00 51.31 C ATOM 662 C THR A 46 16.493 1.064 -7.165 1.00 42.34 C ATOM 663 O THR A 46 17.070 1.828 -7.940 1.00 2.43 O ATOM 664 CB THR A 46 18.204 -0.600 -6.436 1.00 14.12 C ATOM 665 OG1 THR A 46 18.511 -1.993 -6.314 1.00 61.10 O ATOM 666 CG2 THR A 46 18.200 0.046 -5.059 1.00 1.24 C ATOM 0 H THR A 46 17.658 -0.738 -9.033 1.00 34.23 H new ATOM 0 HA THR A 46 16.079 -0.955 -6.561 1.00 51.31 H new ATOM 0 HB THR A 46 18.964 -0.113 -7.046 1.00 14.12 H new ATOM 0 HG1 THR A 46 19.380 -2.099 -5.874 1.00 61.10 H new ATOM 0 HG21 THR A 46 19.173 -0.094 -4.589 1.00 1.24 H new ATOM 0 HG22 THR A 46 17.994 1.112 -5.158 1.00 1.24 H new ATOM 0 HG23 THR A 46 17.429 -0.417 -4.442 1.00 1.24 H new ATOM 674 N CYS A 47 15.548 1.467 -6.323 1.00 32.01 N ATOM 675 CA CYS A 47 15.124 2.860 -6.258 1.00 13.31 C ATOM 676 C CYS A 47 15.773 3.572 -5.074 1.00 74.31 C ATOM 677 O CYS A 47 15.570 3.193 -3.921 1.00 34.54 O ATOM 678 CB CYS A 47 13.600 2.947 -6.146 1.00 63.24 C ATOM 679 SG CYS A 47 12.972 4.627 -5.827 1.00 24.34 S ATOM 0 H CYS A 47 15.061 0.848 -5.675 1.00 32.01 H new ATOM 0 HA CYS A 47 15.443 3.354 -7.176 1.00 13.31 H new ATOM 0 HB2 CYS A 47 13.157 2.574 -7.069 1.00 63.24 H new ATOM 0 HB3 CYS A 47 13.267 2.288 -5.344 1.00 63.24 H new ATOM 684 N VAL A 48 16.554 4.606 -5.368 1.00 62.14 N ATOM 685 CA VAL A 48 17.232 5.372 -4.329 1.00 61.13 C ATOM 686 C VAL A 48 16.600 6.749 -4.161 1.00 44.13 C ATOM 687 O VAL A 48 16.113 7.343 -5.124 1.00 62.40 O ATOM 688 CB VAL A 48 18.730 5.541 -4.644 1.00 43.31 C ATOM 689 CG1 VAL A 48 19.505 5.892 -3.383 1.00 12.11 C ATOM 690 CG2 VAL A 48 19.285 4.279 -5.287 1.00 3.22 C ATOM 0 H VAL A 48 16.733 4.933 -6.317 1.00 62.14 H new ATOM 0 HA VAL A 48 17.125 4.811 -3.401 1.00 61.13 H new ATOM 0 HB VAL A 48 18.844 6.362 -5.352 1.00 43.31 H new ATOM 0 HG11 VAL A 48 20.561 6.007 -3.625 1.00 12.11 H new ATOM 0 HG12 VAL A 48 19.124 6.826 -2.969 1.00 12.11 H new ATOM 0 HG13 VAL A 48 19.386 5.095 -2.649 1.00 12.11 H new ATOM 0 HG21 VAL A 48 20.345 4.416 -5.503 1.00 3.22 H new ATOM 0 HG22 VAL A 48 19.160 3.438 -4.605 1.00 3.22 H new ATOM 0 HG23 VAL A 48 18.749 4.077 -6.214 1.00 3.22 H new ATOM 700 N CYS A 49 16.612 7.253 -2.932 1.00 1.31 N ATOM 701 CA CYS A 49 16.041 8.561 -2.636 1.00 14.41 C ATOM 702 C CYS A 49 17.121 9.535 -2.173 1.00 33.35 C ATOM 703 O CYS A 49 18.236 9.130 -1.844 1.00 43.13 O ATOM 704 CB CYS A 49 14.957 8.437 -1.563 1.00 72.32 C ATOM 705 SG CYS A 49 13.269 8.753 -2.171 1.00 71.02 S ATOM 0 H CYS A 49 17.011 6.775 -2.124 1.00 1.31 H new ATOM 0 HA CYS A 49 15.594 8.950 -3.551 1.00 14.41 H new ATOM 0 HB2 CYS A 49 14.996 7.435 -1.136 1.00 72.32 H new ATOM 0 HB3 CYS A 49 15.178 9.136 -0.756 1.00 72.32 H new ATOM 710 N TYR A 50 16.781 10.819 -2.148 1.00 60.44 N ATOM 711 CA TYR A 50 17.722 11.850 -1.728 1.00 14.25 C ATOM 712 C TYR A 50 16.984 13.076 -1.197 1.00 23.24 C ATOM 713 O TYR A 50 15.759 13.160 -1.278 1.00 12.32 O ATOM 714 CB TYR A 50 18.627 12.251 -2.894 1.00 13.14 C ATOM 715 CG TYR A 50 19.496 11.123 -3.401 1.00 23.02 C ATOM 716 CD1 TYR A 50 20.743 10.874 -2.839 1.00 53.21 C ATOM 717 CD2 TYR A 50 19.072 10.307 -4.442 1.00 24.40 C ATOM 718 CE1 TYR A 50 21.541 9.845 -3.299 1.00 41.15 C ATOM 719 CE2 TYR A 50 19.863 9.274 -4.908 1.00 5.42 C ATOM 720 CZ TYR A 50 21.097 9.048 -4.334 1.00 31.34 C ATOM 721 OH TYR A 50 21.889 8.021 -4.796 1.00 15.43 O ATOM 0 H TYR A 50 15.861 11.170 -2.414 1.00 60.44 H new ATOM 0 HA TYR A 50 18.336 11.441 -0.925 1.00 14.25 H new ATOM 0 HB2 TYR A 50 18.009 12.619 -3.713 1.00 13.14 H new ATOM 0 HB3 TYR A 50 19.265 13.077 -2.580 1.00 13.14 H new ATOM 0 HD1 TYR A 50 21.094 11.496 -2.029 1.00 53.21 H new ATOM 0 HD2 TYR A 50 18.108 10.483 -4.895 1.00 24.40 H new ATOM 0 HE1 TYR A 50 22.507 9.665 -2.851 1.00 41.15 H new ATOM 0 HE2 TYR A 50 19.517 8.647 -5.717 1.00 5.42 H new ATOM 0 HH TYR A 50 21.429 7.556 -5.526 1.00 15.43 H new ATOM 731 N ARG A 51 17.741 14.024 -0.654 1.00 12.04 N ATOM 732 CA ARG A 51 17.161 15.245 -0.109 1.00 12.55 C ATOM 733 C ARG A 51 16.029 14.923 0.862 1.00 14.44 C ATOM 734 O ARG A 51 15.089 15.704 1.019 1.00 44.32 O ATOM 735 CB ARG A 51 16.640 16.136 -1.238 1.00 4.51 C ATOM 736 CG ARG A 51 17.706 16.520 -2.251 1.00 43.04 C ATOM 737 CD ARG A 51 17.574 17.975 -2.675 1.00 64.51 C ATOM 738 NE ARG A 51 18.874 18.628 -2.802 1.00 65.55 N ATOM 739 CZ ARG A 51 19.025 19.926 -3.039 1.00 74.02 C ATOM 740 NH1 ARG A 51 17.961 20.706 -3.173 1.00 0.20 N ATOM 741 NH2 ARG A 51 20.241 20.447 -3.142 1.00 32.41 N ATOM 0 H ARG A 51 18.757 13.970 -0.580 1.00 12.04 H new ATOM 0 HA ARG A 51 17.942 15.777 0.434 1.00 12.55 H new ATOM 0 HB2 ARG A 51 15.830 15.619 -1.753 1.00 4.51 H new ATOM 0 HB3 ARG A 51 16.216 17.043 -0.807 1.00 4.51 H new ATOM 0 HG2 ARG A 51 18.694 16.353 -1.822 1.00 43.04 H new ATOM 0 HG3 ARG A 51 17.626 15.876 -3.127 1.00 43.04 H new ATOM 0 HD2 ARG A 51 17.047 18.029 -3.628 1.00 64.51 H new ATOM 0 HD3 ARG A 51 16.968 18.512 -1.945 1.00 64.51 H new ATOM 0 HE ARG A 51 19.712 18.056 -2.703 1.00 65.55 H new ATOM 0 HH11 ARG A 51 17.025 20.309 -3.094 1.00 0.20 H new ATOM 0 HH12 ARG A 51 18.079 21.703 -3.355 1.00 0.20 H new ATOM 0 HH21 ARG A 51 21.062 19.850 -3.039 1.00 32.41 H new ATOM 0 HH22 ARG A 51 20.355 21.444 -3.324 1.00 32.41 H new ATOM 755 N CYS A 52 16.124 13.768 1.512 1.00 10.21 N ATOM 756 CA CYS A 52 15.108 13.341 2.467 1.00 5.21 C ATOM 757 C CYS A 52 15.198 14.153 3.756 1.00 3.10 C ATOM 758 O CYS A 52 16.109 14.962 3.930 1.00 41.21 O ATOM 759 CB CYS A 52 15.265 11.851 2.778 1.00 41.42 C ATOM 760 SG CYS A 52 13.687 10.969 3.002 1.00 63.32 S ATOM 0 H CYS A 52 16.895 13.110 1.395 1.00 10.21 H new ATOM 0 HA CYS A 52 14.129 13.511 2.019 1.00 5.21 H new ATOM 0 HB2 CYS A 52 15.822 11.378 1.969 1.00 41.42 H new ATOM 0 HB3 CYS A 52 15.863 11.740 3.683 1.00 41.42 H new ATOM 765 N ALA A 53 14.247 13.930 4.657 1.00 54.44 N ATOM 766 CA ALA A 53 14.219 14.639 5.930 1.00 22.21 C ATOM 767 C ALA A 53 14.602 13.714 7.081 1.00 54.21 C ATOM 768 O ALA A 53 15.136 14.159 8.095 1.00 4.25 O ATOM 769 CB ALA A 53 12.843 15.241 6.169 1.00 14.15 C ATOM 0 H ALA A 53 13.486 13.264 4.529 1.00 54.44 H new ATOM 0 HA ALA A 53 14.952 15.444 5.886 1.00 22.21 H new ATOM 0 HB1 ALA A 53 12.837 15.767 7.123 1.00 14.15 H new ATOM 0 HB2 ALA A 53 12.608 15.941 5.367 1.00 14.15 H new ATOM 0 HB3 ALA A 53 12.097 14.447 6.188 1.00 14.15 H new ATOM 775 N ASN A 54 14.323 12.425 6.916 1.00 51.21 N ATOM 776 CA ASN A 54 14.637 11.438 7.942 1.00 32.14 C ATOM 777 C ASN A 54 16.017 10.831 7.709 1.00 31.32 C ATOM 778 O ASN A 54 16.330 9.758 8.224 1.00 74.24 O ATOM 779 CB ASN A 54 13.578 10.334 7.959 1.00 73.25 C ATOM 780 CG ASN A 54 13.573 9.556 9.260 1.00 23.22 C ATOM 781 OD1 ASN A 54 14.057 8.425 9.322 1.00 11.43 O ATOM 782 ND2 ASN A 54 13.025 10.160 10.308 1.00 20.53 N ATOM 0 H ASN A 54 13.880 12.040 6.082 1.00 51.21 H new ATOM 0 HA ASN A 54 14.640 11.943 8.908 1.00 32.14 H new ATOM 0 HB2 ASN A 54 12.594 10.776 7.800 1.00 73.25 H new ATOM 0 HB3 ASN A 54 13.758 9.649 7.130 1.00 73.25 H new ATOM 0 HD21 ASN A 54 12.993 9.686 11.211 1.00 20.53 H new ATOM 0 HD22 ASN A 54 12.636 11.098 10.210 1.00 20.53 H new ATOM 789 N GLY A 55 16.840 11.526 6.930 1.00 55.14 N ATOM 790 CA GLY A 55 18.177 11.041 6.642 1.00 35.50 C ATOM 791 C GLY A 55 18.929 11.945 5.687 1.00 50.34 C ATOM 792 O GLY A 55 20.154 12.038 5.744 1.00 43.42 O ATOM 0 H GLY A 55 16.604 12.417 6.493 1.00 55.14 H new ATOM 0 HA2 GLY A 55 18.737 10.955 7.573 1.00 35.50 H new ATOM 0 HA3 GLY A 55 18.113 10.040 6.215 1.00 35.50 H new ATOM 796 N GLY A 56 18.193 12.614 4.803 1.00 23.24 N ATOM 797 CA GLY A 56 18.816 13.505 3.843 1.00 41.44 C ATOM 798 C GLY A 56 19.801 12.789 2.940 1.00 75.31 C ATOM 799 O GLY A 56 20.989 13.106 2.930 1.00 50.54 O ATOM 0 H GLY A 56 17.177 12.554 4.736 1.00 23.24 H new ATOM 0 HA2 GLY A 56 18.044 13.974 3.233 1.00 41.44 H new ATOM 0 HA3 GLY A 56 19.331 14.305 4.375 1.00 41.44 H new ATOM 803 N GLY A 57 19.305 11.816 2.180 1.00 2.41 N ATOM 804 CA GLY A 57 20.164 11.067 1.282 1.00 74.41 C ATOM 805 C GLY A 57 19.528 9.771 0.820 1.00 72.54 C ATOM 806 O GLY A 57 18.323 9.715 0.574 1.00 52.55 O ATOM 0 H GLY A 57 18.325 11.534 2.171 1.00 2.41 H new ATOM 0 HA2 GLY A 57 20.401 11.682 0.414 1.00 74.41 H new ATOM 0 HA3 GLY A 57 21.106 10.847 1.784 1.00 74.41 H new ATOM 810 N ASP A 58 20.339 8.725 0.699 1.00 1.55 N ATOM 811 CA ASP A 58 19.849 7.423 0.263 1.00 40.33 C ATOM 812 C ASP A 58 18.887 6.833 1.289 1.00 70.33 C ATOM 813 O ASP A 58 19.304 6.376 2.354 1.00 54.22 O ATOM 814 CB ASP A 58 21.019 6.466 0.032 1.00 71.54 C ATOM 815 CG ASP A 58 21.996 6.454 1.191 1.00 14.31 C ATOM 816 OD1 ASP A 58 21.900 5.542 2.039 1.00 41.10 O ATOM 817 OD2 ASP A 58 22.856 7.357 1.250 1.00 0.23 O ATOM 0 H ASP A 58 21.339 8.754 0.897 1.00 1.55 H new ATOM 0 HA ASP A 58 19.311 7.560 -0.675 1.00 40.33 H new ATOM 0 HB2 ASP A 58 20.634 5.458 -0.125 1.00 71.54 H new ATOM 0 HB3 ASP A 58 21.544 6.753 -0.879 1.00 71.54 H new ATOM 822 N ILE A 59 17.599 6.846 0.961 1.00 24.01 N ATOM 823 CA ILE A 59 16.579 6.312 1.854 1.00 32.32 C ATOM 824 C ILE A 59 15.506 5.559 1.075 1.00 71.31 C ATOM 825 O ILE A 59 14.623 6.151 0.455 1.00 52.42 O ATOM 826 CB ILE A 59 15.911 7.429 2.678 1.00 74.45 C ATOM 827 CG1 ILE A 59 16.963 8.416 3.186 1.00 54.51 C ATOM 828 CG2 ILE A 59 15.129 6.835 3.840 1.00 74.45 C ATOM 829 CD1 ILE A 59 17.799 7.875 4.324 1.00 44.50 C ATOM 0 H ILE A 59 17.238 7.220 0.084 1.00 24.01 H new ATOM 0 HA ILE A 59 17.083 5.623 2.532 1.00 32.32 H new ATOM 0 HB ILE A 59 15.215 7.968 2.035 1.00 74.45 H new ATOM 0 HG12 ILE A 59 17.621 8.690 2.361 1.00 54.51 H new ATOM 0 HG13 ILE A 59 16.465 9.329 3.514 1.00 54.51 H new ATOM 0 HG21 ILE A 59 14.663 7.637 4.413 1.00 74.45 H new ATOM 0 HG22 ILE A 59 14.358 6.168 3.456 1.00 74.45 H new ATOM 0 HG23 ILE A 59 15.806 6.274 4.485 1.00 74.45 H new ATOM 0 HD11 ILE A 59 18.524 8.628 4.633 1.00 44.50 H new ATOM 0 HD12 ILE A 59 17.152 7.627 5.165 1.00 44.50 H new ATOM 0 HD13 ILE A 59 18.325 6.979 3.995 1.00 44.50 H new ATOM 841 N PRO A 60 15.581 4.220 1.107 1.00 21.13 N ATOM 842 CA PRO A 60 14.623 3.356 0.411 1.00 12.13 C ATOM 843 C PRO A 60 13.239 3.392 1.051 1.00 22.32 C ATOM 844 O PRO A 60 13.105 3.637 2.251 1.00 71.51 O ATOM 845 CB PRO A 60 15.239 1.961 0.547 1.00 51.53 C ATOM 846 CG PRO A 60 16.083 2.038 1.772 1.00 65.34 C ATOM 847 CD PRO A 60 16.607 3.446 1.826 1.00 1.24 C ATOM 0 HA PRO A 60 14.467 3.669 -0.621 1.00 12.13 H new ATOM 0 HB2 PRO A 60 14.469 1.196 0.644 1.00 51.53 H new ATOM 0 HB3 PRO A 60 15.835 1.704 -0.329 1.00 51.53 H new ATOM 0 HG2 PRO A 60 15.500 1.804 2.663 1.00 65.34 H new ATOM 0 HG3 PRO A 60 16.901 1.319 1.728 1.00 65.34 H new ATOM 0 HD2 PRO A 60 16.725 3.792 2.853 1.00 1.24 H new ATOM 0 HD3 PRO A 60 17.583 3.530 1.347 1.00 1.24 H new ATOM 855 N LEU A 61 12.213 3.146 0.244 1.00 31.34 N ATOM 856 CA LEU A 61 10.838 3.149 0.732 1.00 22.14 C ATOM 857 C LEU A 61 10.697 2.266 1.968 1.00 11.23 C ATOM 858 O LEU A 61 9.787 2.451 2.775 1.00 1.54 O ATOM 859 CB LEU A 61 9.886 2.668 -0.364 1.00 31.53 C ATOM 860 CG LEU A 61 9.402 3.733 -1.348 1.00 31.02 C ATOM 861 CD1 LEU A 61 8.483 4.725 -0.651 1.00 60.25 C ATOM 862 CD2 LEU A 61 10.585 4.452 -1.980 1.00 12.01 C ATOM 0 H LEU A 61 12.307 2.942 -0.751 1.00 31.34 H new ATOM 0 HA LEU A 61 10.578 4.171 1.007 1.00 22.14 H new ATOM 0 HB2 LEU A 61 10.383 1.879 -0.929 1.00 31.53 H new ATOM 0 HB3 LEU A 61 9.014 2.218 0.111 1.00 31.53 H new ATOM 0 HG LEU A 61 8.837 3.240 -2.139 1.00 31.02 H new ATOM 0 HD11 LEU A 61 8.148 5.476 -1.367 1.00 60.25 H new ATOM 0 HD12 LEU A 61 7.619 4.198 -0.247 1.00 60.25 H new ATOM 0 HD13 LEU A 61 9.023 5.213 0.161 1.00 60.25 H new ATOM 0 HD21 LEU A 61 10.222 5.207 -2.678 1.00 12.01 H new ATOM 0 HD22 LEU A 61 11.177 4.933 -1.201 1.00 12.01 H new ATOM 0 HD23 LEU A 61 11.205 3.732 -2.514 1.00 12.01 H new ATOM 874 N GLY A 62 11.606 1.306 2.111 1.00 53.03 N ATOM 875 CA GLY A 62 11.566 0.410 3.252 1.00 50.32 C ATOM 876 C GLY A 62 12.091 1.059 4.517 1.00 53.50 C ATOM 877 O GLY A 62 11.605 0.781 5.613 1.00 51.22 O ATOM 0 H GLY A 62 12.369 1.133 1.457 1.00 53.03 H new ATOM 0 HA2 GLY A 62 10.540 0.080 3.415 1.00 50.32 H new ATOM 0 HA3 GLY A 62 12.156 -0.480 3.032 1.00 50.32 H new ATOM 881 N ALA A 63 13.087 1.926 4.366 1.00 11.22 N ATOM 882 CA ALA A 63 13.678 2.617 5.506 1.00 72.23 C ATOM 883 C ALA A 63 12.807 3.787 5.950 1.00 1.11 C ATOM 884 O ALA A 63 12.874 4.223 7.100 1.00 22.44 O ATOM 885 CB ALA A 63 15.079 3.100 5.162 1.00 70.34 C ATOM 0 H ALA A 63 13.502 2.167 3.466 1.00 11.22 H new ATOM 0 HA ALA A 63 13.742 1.911 6.334 1.00 72.23 H new ATOM 0 HB1 ALA A 63 15.508 3.614 6.022 1.00 70.34 H new ATOM 0 HB2 ALA A 63 15.704 2.246 4.900 1.00 70.34 H new ATOM 0 HB3 ALA A 63 15.030 3.786 4.317 1.00 70.34 H new ATOM 891 N LEU A 64 11.991 4.293 5.032 1.00 11.03 N ATOM 892 CA LEU A 64 11.106 5.415 5.330 1.00 65.55 C ATOM 893 C LEU A 64 9.740 4.922 5.794 1.00 75.13 C ATOM 894 O LEU A 64 8.808 5.710 5.960 1.00 44.33 O ATOM 895 CB LEU A 64 10.948 6.306 4.096 1.00 24.33 C ATOM 896 CG LEU A 64 11.835 7.550 4.049 1.00 4.34 C ATOM 897 CD1 LEU A 64 12.172 7.912 2.611 1.00 20.11 C ATOM 898 CD2 LEU A 64 11.154 8.717 4.749 1.00 4.34 C ATOM 0 H LEU A 64 11.923 3.945 4.076 1.00 11.03 H new ATOM 0 HA LEU A 64 11.554 5.996 6.136 1.00 65.55 H new ATOM 0 HB2 LEU A 64 11.152 5.705 3.210 1.00 24.33 H new ATOM 0 HB3 LEU A 64 9.907 6.624 4.033 1.00 24.33 H new ATOM 0 HG LEU A 64 12.765 7.330 4.574 1.00 4.34 H new ATOM 0 HD11 LEU A 64 12.804 8.800 2.598 1.00 20.11 H new ATOM 0 HD12 LEU A 64 12.701 7.083 2.142 1.00 20.11 H new ATOM 0 HD13 LEU A 64 11.252 8.113 2.061 1.00 20.11 H new ATOM 0 HD21 LEU A 64 11.800 9.594 4.706 1.00 4.34 H new ATOM 0 HD22 LEU A 64 10.209 8.937 4.253 1.00 4.34 H new ATOM 0 HD23 LEU A 64 10.965 8.456 5.790 1.00 4.34 H new ATOM 910 N ILE A 65 9.627 3.615 6.003 1.00 24.41 N ATOM 911 CA ILE A 65 8.375 3.018 6.451 1.00 24.15 C ATOM 912 C ILE A 65 7.960 3.568 7.812 1.00 41.44 C ATOM 913 O ILE A 65 8.730 3.529 8.771 1.00 22.15 O ATOM 914 CB ILE A 65 8.483 1.484 6.542 1.00 3.32 C ATOM 915 CG1 ILE A 65 8.675 0.881 5.149 1.00 41.50 C ATOM 916 CG2 ILE A 65 7.245 0.905 7.210 1.00 24.22 C ATOM 917 CD1 ILE A 65 8.790 -0.627 5.154 1.00 41.22 C ATOM 0 H ILE A 65 10.388 2.949 5.869 1.00 24.41 H new ATOM 0 HA ILE A 65 7.619 3.278 5.710 1.00 24.15 H new ATOM 0 HB ILE A 65 9.352 1.231 7.150 1.00 3.32 H new ATOM 0 HG12 ILE A 65 7.835 1.171 4.517 1.00 41.50 H new ATOM 0 HG13 ILE A 65 9.573 1.304 4.699 1.00 41.50 H new ATOM 0 HG21 ILE A 65 7.336 -0.180 7.267 1.00 24.22 H new ATOM 0 HG22 ILE A 65 7.149 1.315 8.216 1.00 24.22 H new ATOM 0 HG23 ILE A 65 6.362 1.165 6.627 1.00 24.22 H new ATOM 0 HD11 ILE A 65 8.924 -0.985 4.133 1.00 41.22 H new ATOM 0 HD12 ILE A 65 9.647 -0.925 5.759 1.00 41.22 H new ATOM 0 HD13 ILE A 65 7.882 -1.060 5.574 1.00 41.22 H new ATOM 929 N LYS A 66 6.736 4.080 7.888 1.00 44.51 N ATOM 930 CA LYS A 66 6.215 4.637 9.131 1.00 64.31 C ATOM 931 C LYS A 66 5.181 3.704 9.753 1.00 40.01 C ATOM 932 O LYS A 66 4.566 4.033 10.767 1.00 32.44 O ATOM 933 CB LYS A 66 5.591 6.011 8.877 1.00 63.33 C ATOM 934 CG LYS A 66 6.525 6.983 8.177 1.00 3.02 C ATOM 935 CD LYS A 66 5.754 8.063 7.437 1.00 32.04 C ATOM 936 CE LYS A 66 5.147 7.530 6.149 1.00 55.55 C ATOM 937 NZ LYS A 66 3.669 7.712 6.115 1.00 11.21 N ATOM 0 H LYS A 66 6.086 4.121 7.103 1.00 44.51 H new ATOM 0 HA LYS A 66 7.046 4.746 9.828 1.00 64.31 H new ATOM 0 HB2 LYS A 66 4.691 5.886 8.274 1.00 63.33 H new ATOM 0 HB3 LYS A 66 5.280 6.441 9.829 1.00 63.33 H new ATOM 0 HG2 LYS A 66 7.187 7.445 8.910 1.00 3.02 H new ATOM 0 HG3 LYS A 66 7.157 6.440 7.474 1.00 3.02 H new ATOM 0 HD2 LYS A 66 4.964 8.452 8.079 1.00 32.04 H new ATOM 0 HD3 LYS A 66 6.419 8.896 7.210 1.00 32.04 H new ATOM 0 HE2 LYS A 66 5.596 8.042 5.297 1.00 55.55 H new ATOM 0 HE3 LYS A 66 5.385 6.471 6.046 1.00 55.55 H new ATOM 0 HZ1 LYS A 66 3.293 7.336 5.221 1.00 11.21 H new ATOM 0 HZ2 LYS A 66 3.238 7.203 6.913 1.00 11.21 H new ATOM 0 HZ3 LYS A 66 3.442 8.724 6.187 1.00 11.21 H new ATOM 951 N ARG A 67 4.996 2.540 9.139 1.00 33.11 N ATOM 952 CA ARG A 67 4.036 1.560 9.633 1.00 21.13 C ATOM 953 C ARG A 67 2.611 2.094 9.527 1.00 35.43 C ATOM 954 O ARG A 67 1.697 1.587 10.177 1.00 21.22 O ATOM 955 CB ARG A 67 4.349 1.196 11.086 1.00 60.32 C ATOM 956 CG ARG A 67 4.912 -0.206 11.255 1.00 74.25 C ATOM 957 CD ARG A 67 6.105 -0.441 10.342 1.00 61.12 C ATOM 958 NE ARG A 67 7.252 -0.979 11.068 1.00 3.33 N ATOM 959 CZ ARG A 67 8.249 -1.636 10.486 1.00 52.24 C ATOM 960 NH1 ARG A 67 8.239 -1.835 9.175 1.00 61.11 N ATOM 961 NH2 ARG A 67 9.258 -2.095 11.214 1.00 3.34 N ATOM 0 H ARG A 67 5.498 2.253 8.299 1.00 33.11 H new ATOM 0 HA ARG A 67 4.117 0.665 9.016 1.00 21.13 H new ATOM 0 HB2 ARG A 67 5.063 1.916 11.486 1.00 60.32 H new ATOM 0 HB3 ARG A 67 3.439 1.287 11.679 1.00 60.32 H new ATOM 0 HG2 ARG A 67 5.211 -0.357 12.292 1.00 74.25 H new ATOM 0 HG3 ARG A 67 4.136 -0.940 11.037 1.00 74.25 H new ATOM 0 HD2 ARG A 67 5.823 -1.131 9.547 1.00 61.12 H new ATOM 0 HD3 ARG A 67 6.386 0.497 9.864 1.00 61.12 H new ATOM 0 HE ARG A 67 7.290 -0.843 12.078 1.00 3.33 H new ATOM 0 HH11 ARG A 67 7.465 -1.483 8.612 1.00 61.11 H new ATOM 0 HH12 ARG A 67 9.006 -2.340 8.730 1.00 61.11 H new ATOM 0 HH21 ARG A 67 9.269 -1.944 12.223 1.00 3.34 H new ATOM 0 HH22 ARG A 67 10.023 -2.599 10.765 1.00 3.34 H new ATOM 975 N GLY A 68 2.428 3.121 8.703 1.00 3.23 N ATOM 976 CA GLY A 68 1.112 3.707 8.528 1.00 42.02 C ATOM 977 C GLY A 68 0.776 3.951 7.070 1.00 10.01 C ATOM 978 O GLY A 68 0.859 5.081 6.588 1.00 71.52 O ATOM 0 H GLY A 68 3.168 3.558 8.153 1.00 3.23 H new ATOM 0 HA2 GLY A 68 0.363 3.047 8.965 1.00 42.02 H new ATOM 0 HA3 GLY A 68 1.062 4.650 9.072 1.00 42.02 H new TER 982 GLY A 68