USER MOD reduce.3.24.130724 H: found=0, std=0, add=496, rem=0, adj=14 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 11 MET CE :methyl -177:sc= -0.293 (180deg=-0.152) USER MOD Set 1.2: A 40 LYS NZ :NH3+ -135:sc= 0.543 (180deg=-1.75!) USER MOD Single : A 1 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Single : A 1 MET N :NH3+ -171:sc= 0 (180deg=-0.0957) USER MOD Single : A 6 SER OG : rot -120:sc= -1.12 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 K(o=0,f=-0.72) 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 146:sc= -0.0162 (180deg=-0.359) USER MOD Single : A 31 GLN : amide:sc= -4.7! C(o=-4.7!,f=-9.8!) USER MOD Single : A 32 ASN : amide:sc= -0.119 K(o=-0.12,f=-2!) USER MOD Single : A 35 THR OG1 : rot 180:sc= 0.0566 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 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= -0.312 X(o=-0.31,f=-0.027) USER MOD Single : A 66 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD ----------------------------------------------------------------- ATOM 1 N MET A 1 1.321 -1.758 0.230 1.00 54.24 N ATOM 2 CA MET A 1 0.185 -2.239 -0.549 1.00 43.32 C ATOM 3 C MET A 1 0.569 -3.468 -1.367 1.00 52.12 C ATOM 4 O MET A 1 -0.204 -4.421 -1.473 1.00 2.44 O ATOM 5 CB MET A 1 -0.329 -1.135 -1.476 1.00 31.33 C ATOM 6 CG MET A 1 -1.845 -1.088 -1.582 1.00 23.34 C ATOM 7 SD MET A 1 -2.555 0.344 -0.748 1.00 11.10 S ATOM 8 CE MET A 1 -3.800 -0.441 0.272 1.00 34.22 C ATOM 0 H1 MET A 1 1.002 -1.021 0.891 1.00 54.24 H new ATOM 0 H2 MET A 1 1.734 -2.548 0.766 1.00 54.24 H new ATOM 0 H3 MET A 1 2.038 -1.362 -0.410 1.00 54.24 H new ATOM 0 HA MET A 1 -0.608 -2.519 0.145 1.00 43.32 H new ATOM 0 HB2 MET A 1 0.032 -0.172 -1.116 1.00 31.33 H new ATOM 0 HB3 MET A 1 0.092 -1.281 -2.471 1.00 31.33 H new ATOM 0 HG2 MET A 1 -2.131 -1.070 -2.634 1.00 23.34 H new ATOM 0 HG3 MET A 1 -2.264 -1.998 -1.153 1.00 23.34 H new ATOM 0 HE1 MET A 1 -4.327 0.317 0.851 1.00 34.22 H new ATOM 0 HE2 MET A 1 -4.509 -0.971 -0.363 1.00 34.22 H new ATOM 0 HE3 MET A 1 -3.322 -1.148 0.950 1.00 34.22 H new ATOM 18 N ASP A 2 1.765 -3.439 -1.944 1.00 60.30 N ATOM 19 CA ASP A 2 2.251 -4.552 -2.752 1.00 50.21 C ATOM 20 C ASP A 2 3.701 -4.328 -3.169 1.00 3.02 C ATOM 21 O ASP A 2 4.271 -3.265 -2.921 1.00 24.01 O ATOM 22 CB ASP A 2 1.373 -4.731 -3.992 1.00 20.44 C ATOM 23 CG ASP A 2 1.602 -3.647 -5.025 1.00 43.45 C ATOM 24 OD1 ASP A 2 1.790 -2.477 -4.628 1.00 35.42 O ATOM 25 OD2 ASP A 2 1.595 -3.967 -6.232 1.00 43.23 O ATOM 0 H ASP A 2 2.416 -2.657 -1.868 1.00 60.30 H new ATOM 0 HA ASP A 2 2.201 -5.457 -2.147 1.00 50.21 H new ATOM 0 HB2 ASP A 2 1.576 -5.704 -4.440 1.00 20.44 H new ATOM 0 HB3 ASP A 2 0.324 -4.729 -3.694 1.00 20.44 H new ATOM 30 N ILE A 3 4.292 -5.336 -3.802 1.00 30.05 N ATOM 31 CA ILE A 3 5.675 -5.249 -4.252 1.00 44.32 C ATOM 32 C ILE A 3 5.750 -5.064 -5.764 1.00 44.10 C ATOM 33 O ILE A 3 4.780 -5.315 -6.479 1.00 65.43 O ATOM 34 CB ILE A 3 6.476 -6.505 -3.859 1.00 52.55 C ATOM 35 CG1 ILE A 3 6.012 -7.026 -2.498 1.00 21.31 C ATOM 36 CG2 ILE A 3 7.966 -6.197 -3.836 1.00 34.13 C ATOM 37 CD1 ILE A 3 6.730 -8.282 -2.055 1.00 44.25 C ATOM 0 H ILE A 3 3.834 -6.222 -4.015 1.00 30.05 H new ATOM 0 HA ILE A 3 6.113 -4.381 -3.760 1.00 44.32 H new ATOM 0 HB ILE A 3 6.297 -7.281 -4.604 1.00 52.55 H new ATOM 0 HG12 ILE A 3 6.163 -6.248 -1.750 1.00 21.31 H new ATOM 0 HG13 ILE A 3 4.941 -7.225 -2.540 1.00 21.31 H new ATOM 0 HG21 ILE A 3 8.519 -7.094 -3.557 1.00 34.13 H new ATOM 0 HG22 ILE A 3 8.285 -5.868 -4.825 1.00 34.13 H new ATOM 0 HG23 ILE A 3 8.163 -5.408 -3.110 1.00 34.13 H new ATOM 0 HD11 ILE A 3 6.350 -8.594 -1.082 1.00 44.25 H new ATOM 0 HD12 ILE A 3 6.559 -9.075 -2.783 1.00 44.25 H new ATOM 0 HD13 ILE A 3 7.799 -8.083 -1.980 1.00 44.25 H new ATOM 49 N ASP A 4 6.909 -4.625 -6.244 1.00 14.31 N ATOM 50 CA ASP A 4 7.112 -4.409 -7.672 1.00 2.13 C ATOM 51 C ASP A 4 8.540 -4.762 -8.077 1.00 0.34 C ATOM 52 O ASP A 4 9.501 -4.342 -7.431 1.00 70.42 O ATOM 53 CB ASP A 4 6.810 -2.955 -8.038 1.00 34.03 C ATOM 54 CG ASP A 4 5.357 -2.589 -7.804 1.00 30.42 C ATOM 55 OD1 ASP A 4 5.085 -1.802 -6.873 1.00 44.33 O ATOM 56 OD2 ASP A 4 4.492 -3.090 -8.552 1.00 33.21 O ATOM 0 H ASP A 4 7.722 -4.412 -5.665 1.00 14.31 H new ATOM 0 HA ASP A 4 6.427 -5.061 -8.214 1.00 2.13 H new ATOM 0 HB2 ASP A 4 7.447 -2.295 -7.449 1.00 34.03 H new ATOM 0 HB3 ASP A 4 7.060 -2.788 -9.086 1.00 34.03 H new ATOM 61 N PHE A 5 8.671 -5.536 -9.149 1.00 25.15 N ATOM 62 CA PHE A 5 9.982 -5.947 -9.638 1.00 71.44 C ATOM 63 C PHE A 5 10.625 -4.840 -10.468 1.00 54.22 C ATOM 64 O PHE A 5 11.849 -4.751 -10.562 1.00 53.52 O ATOM 65 CB PHE A 5 9.860 -7.222 -10.476 1.00 73.01 C ATOM 66 CG PHE A 5 11.137 -7.612 -11.164 1.00 32.01 C ATOM 67 CD1 PHE A 5 11.135 -7.984 -12.498 1.00 74.25 C ATOM 68 CD2 PHE A 5 12.339 -7.607 -10.476 1.00 3.04 C ATOM 69 CE1 PHE A 5 12.308 -8.343 -13.135 1.00 21.34 C ATOM 70 CE2 PHE A 5 13.516 -7.965 -11.106 1.00 52.44 C ATOM 71 CZ PHE A 5 13.500 -8.334 -12.437 1.00 60.42 C ATOM 0 H PHE A 5 7.886 -5.891 -9.695 1.00 25.15 H new ATOM 0 HA PHE A 5 10.618 -6.146 -8.775 1.00 71.44 H new ATOM 0 HB2 PHE A 5 9.539 -8.041 -9.832 1.00 73.01 H new ATOM 0 HB3 PHE A 5 9.081 -7.081 -11.226 1.00 73.01 H new ATOM 0 HD1 PHE A 5 10.205 -7.994 -13.047 1.00 74.25 H new ATOM 0 HD2 PHE A 5 12.357 -7.320 -9.435 1.00 3.04 H new ATOM 0 HE1 PHE A 5 12.293 -8.630 -14.176 1.00 21.34 H new ATOM 0 HE2 PHE A 5 14.447 -7.956 -10.558 1.00 52.44 H new ATOM 0 HZ PHE A 5 14.418 -8.615 -12.931 1.00 60.42 H new ATOM 81 N SER A 6 9.789 -3.998 -11.069 1.00 24.02 N ATOM 82 CA SER A 6 10.275 -2.899 -11.895 1.00 12.55 C ATOM 83 C SER A 6 9.879 -1.553 -11.295 1.00 13.22 C ATOM 84 O SER A 6 8.696 -1.269 -11.101 1.00 20.44 O ATOM 85 CB SER A 6 9.723 -3.018 -13.316 1.00 73.33 C ATOM 86 OG SER A 6 10.292 -2.040 -14.169 1.00 12.55 O ATOM 0 H SER A 6 8.773 -4.056 -10.999 1.00 24.02 H new ATOM 0 HA SER A 6 11.363 -2.957 -11.930 1.00 12.55 H new ATOM 0 HB2 SER A 6 9.932 -4.013 -13.708 1.00 73.33 H new ATOM 0 HB3 SER A 6 8.639 -2.904 -13.299 1.00 73.33 H new ATOM 0 HG SER A 6 9.582 -1.471 -14.533 1.00 12.55 H new ATOM 92 N THR A 7 10.877 -0.725 -11.003 1.00 23.25 N ATOM 93 CA THR A 7 10.635 0.590 -10.424 1.00 3.32 C ATOM 94 C THR A 7 11.617 1.620 -10.970 1.00 41.54 C ATOM 95 O THR A 7 11.739 2.723 -10.435 1.00 34.41 O ATOM 96 CB THR A 7 10.746 0.557 -8.888 1.00 13.22 C ATOM 97 OG1 THR A 7 11.407 -0.642 -8.470 1.00 5.21 O ATOM 98 CG2 THR A 7 9.369 0.633 -8.245 1.00 2.34 C ATOM 0 H THR A 7 11.861 -0.942 -11.158 1.00 23.25 H new ATOM 0 HA THR A 7 9.620 0.875 -10.702 1.00 3.32 H new ATOM 0 HB THR A 7 11.328 1.422 -8.569 1.00 13.22 H new ATOM 0 HG1 THR A 7 11.475 -0.654 -7.492 1.00 5.21 H new ATOM 0 HG21 THR A 7 9.472 0.608 -7.160 1.00 2.34 H new ATOM 0 HG22 THR A 7 8.880 1.561 -8.542 1.00 2.34 H new ATOM 0 HG23 THR A 7 8.768 -0.215 -8.572 1.00 2.34 H new ATOM 106 N CYS A 8 12.316 1.256 -12.040 1.00 72.42 N ATOM 107 CA CYS A 8 13.287 2.148 -12.660 1.00 44.14 C ATOM 108 C CYS A 8 13.162 2.117 -14.181 1.00 34.01 C ATOM 109 O CYS A 8 12.667 1.146 -14.753 1.00 44.23 O ATOM 110 CB CYS A 8 14.707 1.757 -12.247 1.00 65.40 C ATOM 111 SG CYS A 8 15.927 3.100 -12.411 1.00 52.01 S ATOM 0 H CYS A 8 12.227 0.348 -12.496 1.00 72.42 H new ATOM 0 HA CYS A 8 13.082 3.162 -12.316 1.00 44.14 H new ATOM 0 HB2 CYS A 8 14.692 1.419 -11.211 1.00 65.40 H new ATOM 0 HB3 CYS A 8 15.030 0.911 -12.854 1.00 65.40 H new ATOM 116 N ALA A 9 13.613 3.186 -14.828 1.00 52.34 N ATOM 117 CA ALA A 9 13.553 3.281 -16.282 1.00 21.23 C ATOM 118 C ALA A 9 14.562 2.342 -16.935 1.00 34.22 C ATOM 119 O ALA A 9 14.523 2.119 -18.145 1.00 31.41 O ATOM 120 CB ALA A 9 13.798 4.715 -16.728 1.00 24.32 C ATOM 0 H ALA A 9 14.024 3.999 -14.369 1.00 52.34 H new ATOM 0 HA ALA A 9 12.555 2.979 -16.601 1.00 21.23 H new ATOM 0 HB1 ALA A 9 13.750 4.771 -17.816 1.00 24.32 H new ATOM 0 HB2 ALA A 9 13.036 5.365 -16.297 1.00 24.32 H new ATOM 0 HB3 ALA A 9 14.783 5.038 -16.391 1.00 24.32 H new ATOM 126 N ARG A 10 15.464 1.795 -16.126 1.00 74.14 N ATOM 127 CA ARG A 10 16.484 0.881 -16.627 1.00 13.34 C ATOM 128 C ARG A 10 16.019 -0.568 -16.512 1.00 41.43 C ATOM 129 O ARG A 10 16.834 -1.486 -16.432 1.00 31.40 O ATOM 130 CB ARG A 10 17.791 1.071 -15.855 1.00 42.25 C ATOM 131 CG ARG A 10 18.239 2.521 -15.764 1.00 64.32 C ATOM 132 CD ARG A 10 18.527 3.102 -17.139 1.00 43.44 C ATOM 133 NE ARG A 10 19.892 3.613 -17.243 1.00 72.52 N ATOM 134 CZ ARG A 10 20.513 3.820 -18.399 1.00 12.20 C ATOM 135 NH1 ARG A 10 19.894 3.563 -19.543 1.00 44.02 N ATOM 136 NH2 ARG A 10 21.755 4.287 -18.412 1.00 20.53 N ATOM 0 H ARG A 10 15.509 1.969 -15.122 1.00 74.14 H new ATOM 0 HA ARG A 10 16.655 1.107 -17.680 1.00 13.34 H new ATOM 0 HB2 ARG A 10 17.669 0.673 -14.848 1.00 42.25 H new ATOM 0 HB3 ARG A 10 18.575 0.487 -16.336 1.00 42.25 H new ATOM 0 HG2 ARG A 10 17.466 3.112 -15.273 1.00 64.32 H new ATOM 0 HG3 ARG A 10 19.133 2.588 -15.145 1.00 64.32 H new ATOM 0 HD2 ARG A 10 18.368 2.335 -17.897 1.00 43.44 H new ATOM 0 HD3 ARG A 10 17.822 3.907 -17.347 1.00 43.44 H new ATOM 0 HE ARG A 10 20.396 3.822 -16.381 1.00 72.52 H new ATOM 0 HH11 ARG A 10 18.939 3.205 -19.537 1.00 44.02 H new ATOM 0 HH12 ARG A 10 20.373 3.723 -20.429 1.00 44.02 H new ATOM 0 HH21 ARG A 10 22.234 4.487 -17.534 1.00 20.53 H new ATOM 0 HH22 ARG A 10 22.231 4.446 -19.300 1.00 20.53 H new ATOM 150 N MET A 11 14.705 -0.763 -16.505 1.00 74.32 N ATOM 151 CA MET A 11 14.132 -2.100 -16.401 1.00 70.53 C ATOM 152 C MET A 11 13.770 -2.645 -17.779 1.00 75.22 C ATOM 153 O MET A 11 14.062 -2.022 -18.800 1.00 31.01 O ATOM 154 CB MET A 11 12.892 -2.079 -15.506 1.00 34.20 C ATOM 155 CG MET A 11 13.093 -2.779 -14.172 1.00 3.34 C ATOM 156 SD MET A 11 12.651 -4.526 -14.229 1.00 55.42 S ATOM 157 CE MET A 11 14.252 -5.271 -14.525 1.00 71.21 C ATOM 0 H MET A 11 14.017 -0.013 -16.570 1.00 74.32 H new ATOM 0 HA MET A 11 14.881 -2.755 -15.956 1.00 70.53 H new ATOM 0 HB2 MET A 11 12.603 -1.044 -15.324 1.00 34.20 H new ATOM 0 HB3 MET A 11 12.065 -2.553 -16.034 1.00 34.20 H new ATOM 0 HG2 MET A 11 14.136 -2.682 -13.869 1.00 3.34 H new ATOM 0 HG3 MET A 11 12.492 -2.281 -13.411 1.00 3.34 H new ATOM 0 HE1 MET A 11 14.136 -6.349 -14.639 1.00 71.21 H new ATOM 0 HE2 MET A 11 14.685 -4.855 -15.435 1.00 71.21 H new ATOM 0 HE3 MET A 11 14.911 -5.064 -13.682 1.00 71.21 H new ATOM 167 N ASP A 12 13.132 -3.811 -17.801 1.00 3.42 N ATOM 168 CA ASP A 12 12.729 -4.439 -19.054 1.00 3.43 C ATOM 169 C ASP A 12 11.639 -3.625 -19.743 1.00 52.24 C ATOM 170 O ASP A 12 11.386 -3.792 -20.937 1.00 12.34 O ATOM 171 CB ASP A 12 12.236 -5.864 -18.799 1.00 15.40 C ATOM 172 CG ASP A 12 12.840 -6.867 -19.762 1.00 3.35 C ATOM 173 OD1 ASP A 12 13.451 -7.849 -19.290 1.00 13.25 O ATOM 174 OD2 ASP A 12 12.702 -6.670 -20.987 1.00 24.02 O ATOM 0 H ASP A 12 12.883 -4.340 -16.965 1.00 3.42 H new ATOM 0 HA ASP A 12 13.599 -4.476 -19.710 1.00 3.43 H new ATOM 0 HB2 ASP A 12 12.482 -6.153 -17.777 1.00 15.40 H new ATOM 0 HB3 ASP A 12 11.150 -5.890 -18.886 1.00 15.40 H new ATOM 179 N VAL A 13 10.995 -2.744 -18.984 1.00 71.10 N ATOM 180 CA VAL A 13 9.931 -1.904 -19.522 1.00 24.13 C ATOM 181 C VAL A 13 10.353 -0.439 -19.557 1.00 73.40 C ATOM 182 O VAL A 13 9.955 0.367 -18.716 1.00 41.21 O ATOM 183 CB VAL A 13 8.639 -2.035 -18.693 1.00 64.55 C ATOM 184 CG1 VAL A 13 7.915 -3.329 -19.035 1.00 50.53 C ATOM 185 CG2 VAL A 13 8.951 -1.966 -17.206 1.00 63.52 C ATOM 0 H VAL A 13 11.191 -2.593 -17.995 1.00 71.10 H new ATOM 0 HA VAL A 13 9.738 -2.248 -20.538 1.00 24.13 H new ATOM 0 HB VAL A 13 7.982 -1.202 -18.942 1.00 64.55 H new ATOM 0 HG11 VAL A 13 7.005 -3.405 -18.440 1.00 50.53 H new ATOM 0 HG12 VAL A 13 7.658 -3.333 -20.094 1.00 50.53 H new ATOM 0 HG13 VAL A 13 8.563 -4.177 -18.816 1.00 50.53 H new ATOM 0 HG21 VAL A 13 8.027 -2.060 -16.636 1.00 63.52 H new ATOM 0 HG22 VAL A 13 9.627 -2.778 -16.938 1.00 63.52 H new ATOM 0 HG23 VAL A 13 9.423 -1.010 -16.977 1.00 63.52 H new ATOM 195 N PRO A 14 11.177 -0.085 -20.554 1.00 2.22 N ATOM 196 CA PRO A 14 11.670 1.285 -20.724 1.00 1.31 C ATOM 197 C PRO A 14 10.570 2.247 -21.160 1.00 43.12 C ATOM 198 O PRO A 14 10.775 3.461 -21.203 1.00 20.45 O ATOM 199 CB PRO A 14 12.727 1.148 -21.822 1.00 43.14 C ATOM 200 CG PRO A 14 12.321 -0.062 -22.590 1.00 72.22 C ATOM 201 CD PRO A 14 11.691 -0.994 -21.592 1.00 3.11 C ATOM 0 HA PRO A 14 12.055 1.698 -19.792 1.00 1.31 H new ATOM 0 HB2 PRO A 14 12.752 2.032 -22.460 1.00 43.14 H new ATOM 0 HB3 PRO A 14 13.725 1.032 -21.399 1.00 43.14 H new ATOM 0 HG2 PRO A 14 11.617 0.196 -23.381 1.00 72.22 H new ATOM 0 HG3 PRO A 14 13.182 -0.527 -23.069 1.00 72.22 H new ATOM 0 HD2 PRO A 14 10.892 -1.584 -22.041 1.00 3.11 H new ATOM 0 HD3 PRO A 14 12.417 -1.698 -21.186 1.00 3.11 H new ATOM 209 N ILE A 15 9.404 1.698 -21.483 1.00 63.11 N ATOM 210 CA ILE A 15 8.272 2.508 -21.914 1.00 41.24 C ATOM 211 C ILE A 15 8.005 3.646 -20.935 1.00 24.13 C ATOM 212 O ILE A 15 7.583 3.417 -19.800 1.00 41.15 O ATOM 213 CB ILE A 15 6.995 1.660 -22.058 1.00 71.24 C ATOM 214 CG1 ILE A 15 7.256 0.456 -22.966 1.00 32.10 C ATOM 215 CG2 ILE A 15 5.856 2.506 -22.607 1.00 13.24 C ATOM 216 CD1 ILE A 15 7.142 -0.874 -22.254 1.00 11.33 C ATOM 0 H ILE A 15 9.219 0.695 -21.454 1.00 63.11 H new ATOM 0 HA ILE A 15 8.534 2.923 -22.887 1.00 41.24 H new ATOM 0 HB ILE A 15 6.707 1.293 -21.073 1.00 71.24 H new ATOM 0 HG12 ILE A 15 6.549 0.477 -23.795 1.00 32.10 H new ATOM 0 HG13 ILE A 15 8.254 0.545 -23.395 1.00 32.10 H new ATOM 0 HG21 ILE A 15 4.960 1.892 -22.703 1.00 13.24 H new ATOM 0 HG22 ILE A 15 5.657 3.334 -21.927 1.00 13.24 H new ATOM 0 HG23 ILE A 15 6.133 2.899 -23.585 1.00 13.24 H new ATOM 0 HD11 ILE A 15 7.339 -1.682 -22.959 1.00 11.33 H new ATOM 0 HD12 ILE A 15 7.868 -0.915 -21.442 1.00 11.33 H new ATOM 0 HD13 ILE A 15 6.136 -0.984 -21.848 1.00 11.33 H new ATOM 228 N LEU A 16 8.253 4.873 -21.380 1.00 72.20 N ATOM 229 CA LEU A 16 8.038 6.048 -20.543 1.00 54.33 C ATOM 230 C LEU A 16 8.967 6.034 -19.334 1.00 63.42 C ATOM 231 O LEU A 16 8.560 5.677 -18.228 1.00 41.32 O ATOM 232 CB LEU A 16 6.581 6.109 -20.080 1.00 50.32 C ATOM 233 CG LEU A 16 5.523 5.880 -21.160 1.00 42.34 C ATOM 234 CD1 LEU A 16 4.140 5.773 -20.538 1.00 54.23 C ATOM 235 CD2 LEU A 16 5.562 7.000 -22.190 1.00 74.24 C ATOM 0 H LEU A 16 8.603 5.080 -22.315 1.00 72.20 H new ATOM 0 HA LEU A 16 8.261 6.933 -21.139 1.00 54.33 H new ATOM 0 HB2 LEU A 16 6.438 5.365 -19.296 1.00 50.32 H new ATOM 0 HB3 LEU A 16 6.405 7.085 -19.628 1.00 50.32 H new ATOM 0 HG LEU A 16 5.745 4.940 -21.666 1.00 42.34 H new ATOM 0 HD11 LEU A 16 3.400 5.610 -21.322 1.00 54.23 H new ATOM 0 HD12 LEU A 16 4.119 4.936 -19.840 1.00 54.23 H new ATOM 0 HD13 LEU A 16 3.908 6.696 -20.006 1.00 54.23 H new ATOM 0 HD21 LEU A 16 4.803 6.821 -22.951 1.00 74.24 H new ATOM 0 HD22 LEU A 16 5.366 7.953 -21.699 1.00 74.24 H new ATOM 0 HD23 LEU A 16 6.546 7.029 -22.659 1.00 74.24 H new ATOM 247 N LYS A 17 10.218 6.425 -19.551 1.00 43.15 N ATOM 248 CA LYS A 17 11.206 6.461 -18.480 1.00 24.11 C ATOM 249 C LYS A 17 10.729 7.341 -17.329 1.00 44.01 C ATOM 250 O LYS A 17 10.938 7.019 -16.159 1.00 64.13 O ATOM 251 CB LYS A 17 12.546 6.978 -19.010 1.00 74.02 C ATOM 252 CG LYS A 17 13.040 6.236 -20.240 1.00 1.30 C ATOM 253 CD LYS A 17 14.490 5.808 -20.087 1.00 70.13 C ATOM 254 CE LYS A 17 14.871 4.755 -21.116 1.00 62.34 C ATOM 255 NZ LYS A 17 16.130 5.107 -21.831 1.00 34.05 N ATOM 0 H LYS A 17 10.572 6.722 -20.460 1.00 43.15 H new ATOM 0 HA LYS A 17 11.338 5.445 -18.107 1.00 24.11 H new ATOM 0 HB2 LYS A 17 12.448 8.037 -19.249 1.00 74.02 H new ATOM 0 HB3 LYS A 17 13.295 6.897 -18.222 1.00 74.02 H new ATOM 0 HG2 LYS A 17 12.417 5.358 -20.412 1.00 1.30 H new ATOM 0 HG3 LYS A 17 12.939 6.875 -21.117 1.00 1.30 H new ATOM 0 HD2 LYS A 17 15.140 6.676 -20.195 1.00 70.13 H new ATOM 0 HD3 LYS A 17 14.650 5.413 -19.084 1.00 70.13 H new ATOM 0 HE2 LYS A 17 14.992 3.791 -20.622 1.00 62.34 H new ATOM 0 HE3 LYS A 17 14.062 4.644 -21.838 1.00 62.34 H new ATOM 0 HZ1 LYS A 17 16.355 4.364 -22.523 1.00 34.05 H new ATOM 0 HZ2 LYS A 17 16.007 6.014 -22.324 1.00 34.05 H new ATOM 0 HZ3 LYS A 17 16.908 5.188 -21.145 1.00 34.05 H new ATOM 269 N LYS A 18 10.086 8.453 -17.668 1.00 41.11 N ATOM 270 CA LYS A 18 9.576 9.379 -16.664 1.00 2.02 C ATOM 271 C LYS A 18 8.647 8.665 -15.688 1.00 14.23 C ATOM 272 O LYS A 18 8.638 8.963 -14.494 1.00 14.52 O ATOM 273 CB LYS A 18 8.835 10.536 -17.337 1.00 52.30 C ATOM 274 CG LYS A 18 9.437 11.899 -17.040 1.00 72.14 C ATOM 275 CD LYS A 18 9.072 12.914 -18.110 1.00 41.51 C ATOM 276 CE LYS A 18 10.268 13.772 -18.495 1.00 72.03 C ATOM 277 NZ LYS A 18 11.126 13.103 -19.512 1.00 20.43 N ATOM 0 H LYS A 18 9.906 8.735 -18.631 1.00 41.11 H new ATOM 0 HA LYS A 18 10.425 9.775 -16.107 1.00 2.02 H new ATOM 0 HB2 LYS A 18 8.832 10.376 -18.415 1.00 52.30 H new ATOM 0 HB3 LYS A 18 7.795 10.529 -17.011 1.00 52.30 H new ATOM 0 HG2 LYS A 18 9.086 12.249 -16.070 1.00 72.14 H new ATOM 0 HG3 LYS A 18 10.522 11.812 -16.974 1.00 72.14 H new ATOM 0 HD2 LYS A 18 8.696 12.395 -18.992 1.00 41.51 H new ATOM 0 HD3 LYS A 18 8.266 13.552 -17.748 1.00 41.51 H new ATOM 0 HE2 LYS A 18 9.919 14.727 -18.886 1.00 72.03 H new ATOM 0 HE3 LYS A 18 10.860 13.989 -17.606 1.00 72.03 H new ATOM 0 HZ1 LYS A 18 11.930 13.719 -19.748 1.00 20.43 H new ATOM 0 HZ2 LYS A 18 11.480 12.203 -19.129 1.00 20.43 H new ATOM 0 HZ3 LYS A 18 10.568 12.919 -20.370 1.00 20.43 H new ATOM 291 N ALA A 19 7.867 7.721 -16.203 1.00 71.54 N ATOM 292 CA ALA A 19 6.937 6.962 -15.376 1.00 53.03 C ATOM 293 C ALA A 19 7.681 6.103 -14.360 1.00 11.14 C ATOM 294 O ALA A 19 7.289 6.023 -13.196 1.00 3.03 O ATOM 295 CB ALA A 19 6.042 6.094 -16.249 1.00 14.44 C ATOM 0 H ALA A 19 7.860 7.463 -17.190 1.00 71.54 H new ATOM 0 HA ALA A 19 6.316 7.670 -14.828 1.00 53.03 H new ATOM 0 HB1 ALA A 19 5.353 5.533 -15.618 1.00 14.44 H new ATOM 0 HB2 ALA A 19 5.476 6.727 -16.932 1.00 14.44 H new ATOM 0 HB3 ALA A 19 6.656 5.400 -16.823 1.00 14.44 H new ATOM 301 N ALA A 20 8.755 5.462 -14.807 1.00 64.22 N ATOM 302 CA ALA A 20 9.555 4.610 -13.936 1.00 32.33 C ATOM 303 C ALA A 20 10.207 5.422 -12.822 1.00 35.35 C ATOM 304 O ALA A 20 10.171 5.031 -11.655 1.00 64.22 O ATOM 305 CB ALA A 20 10.613 3.874 -14.744 1.00 24.35 C ATOM 0 H ALA A 20 9.092 5.516 -15.768 1.00 64.22 H new ATOM 0 HA ALA A 20 8.891 3.878 -13.476 1.00 32.33 H new ATOM 0 HB1 ALA A 20 11.203 3.242 -14.081 1.00 24.35 H new ATOM 0 HB2 ALA A 20 10.129 3.255 -15.499 1.00 24.35 H new ATOM 0 HB3 ALA A 20 11.267 4.597 -15.232 1.00 24.35 H new ATOM 311 N GLN A 21 10.801 6.552 -13.189 1.00 53.24 N ATOM 312 CA GLN A 21 11.462 7.418 -12.220 1.00 34.22 C ATOM 313 C GLN A 21 10.451 8.016 -11.247 1.00 3.14 C ATOM 314 O GLN A 21 10.778 8.304 -10.096 1.00 31.31 O ATOM 315 CB GLN A 21 12.221 8.536 -12.937 1.00 32.33 C ATOM 316 CG GLN A 21 13.726 8.325 -12.970 1.00 31.21 C ATOM 317 CD GLN A 21 14.413 9.184 -14.013 1.00 74.34 C ATOM 318 OE1 GLN A 21 13.830 10.138 -14.530 1.00 61.52 O ATOM 319 NE2 GLN A 21 15.658 8.849 -14.329 1.00 44.51 N ATOM 0 H GLN A 21 10.838 6.890 -14.151 1.00 53.24 H new ATOM 0 HA GLN A 21 12.171 6.813 -11.654 1.00 34.22 H new ATOM 0 HB2 GLN A 21 11.851 8.617 -13.959 1.00 32.33 H new ATOM 0 HB3 GLN A 21 12.006 9.484 -12.444 1.00 32.33 H new ATOM 0 HG2 GLN A 21 14.142 8.550 -11.988 1.00 31.21 H new ATOM 0 HG3 GLN A 21 13.937 7.275 -13.173 1.00 31.21 H new ATOM 0 HE21 GLN A 21 16.102 8.051 -13.875 1.00 44.51 H new ATOM 0 HE22 GLN A 21 16.171 9.390 -15.025 1.00 44.51 H new ATOM 328 N GLY A 22 9.222 8.201 -11.717 1.00 55.52 N ATOM 329 CA GLY A 22 8.182 8.765 -10.876 1.00 3.24 C ATOM 330 C GLY A 22 7.997 7.991 -9.586 1.00 24.14 C ATOM 331 O GLY A 22 7.597 8.555 -8.566 1.00 73.43 O ATOM 0 H GLY A 22 8.927 7.970 -12.666 1.00 55.52 H new ATOM 0 HA2 GLY A 22 8.429 9.801 -10.643 1.00 3.24 H new ATOM 0 HA3 GLY A 22 7.241 8.778 -11.426 1.00 3.24 H new ATOM 335 N LEU A 23 8.288 6.695 -9.628 1.00 51.44 N ATOM 336 CA LEU A 23 8.150 5.841 -8.454 1.00 11.21 C ATOM 337 C LEU A 23 9.253 6.127 -7.440 1.00 63.22 C ATOM 338 O LEU A 23 9.344 5.468 -6.404 1.00 4.44 O ATOM 339 CB LEU A 23 8.187 4.368 -8.863 1.00 73.23 C ATOM 340 CG LEU A 23 7.257 3.966 -10.009 1.00 11.02 C ATOM 341 CD1 LEU A 23 7.211 2.453 -10.153 1.00 73.22 C ATOM 342 CD2 LEU A 23 5.860 4.525 -9.783 1.00 33.14 C ATOM 0 H LEU A 23 8.621 6.213 -10.463 1.00 51.44 H new ATOM 0 HA LEU A 23 7.189 6.058 -7.988 1.00 11.21 H new ATOM 0 HB2 LEU A 23 9.209 4.116 -9.146 1.00 73.23 H new ATOM 0 HB3 LEU A 23 7.939 3.763 -7.991 1.00 73.23 H new ATOM 0 HG LEU A 23 7.649 4.387 -10.935 1.00 11.02 H new ATOM 0 HD11 LEU A 23 6.545 2.186 -10.973 1.00 73.22 H new ATOM 0 HD12 LEU A 23 8.212 2.077 -10.362 1.00 73.22 H new ATOM 0 HD13 LEU A 23 6.843 2.010 -9.227 1.00 73.22 H new ATOM 0 HD21 LEU A 23 5.212 4.229 -10.608 1.00 33.14 H new ATOM 0 HD22 LEU A 23 5.459 4.134 -8.848 1.00 33.14 H new ATOM 0 HD23 LEU A 23 5.907 5.613 -9.731 1.00 33.14 H new ATOM 354 N CYS A 24 10.089 7.114 -7.745 1.00 72.02 N ATOM 355 CA CYS A 24 11.185 7.489 -6.861 1.00 4.11 C ATOM 356 C CYS A 24 11.065 8.949 -6.435 1.00 2.53 C ATOM 357 O CYS A 24 11.097 9.264 -5.245 1.00 31.25 O ATOM 358 CB CYS A 24 12.529 7.258 -7.554 1.00 64.23 C ATOM 359 SG CYS A 24 13.630 6.101 -6.676 1.00 54.34 S ATOM 0 H CYS A 24 10.028 7.669 -8.599 1.00 72.02 H new ATOM 0 HA CYS A 24 11.130 6.863 -5.970 1.00 4.11 H new ATOM 0 HB2 CYS A 24 12.347 6.877 -8.559 1.00 64.23 H new ATOM 0 HB3 CYS A 24 13.039 8.215 -7.663 1.00 64.23 H new ATOM 364 N ILE A 25 10.927 9.836 -7.414 1.00 42.43 N ATOM 365 CA ILE A 25 10.801 11.263 -7.141 1.00 31.52 C ATOM 366 C ILE A 25 9.496 11.569 -6.414 1.00 53.53 C ATOM 367 O ILE A 25 9.482 12.292 -5.417 1.00 73.20 O ATOM 368 CB ILE A 25 10.861 12.092 -8.437 1.00 61.11 C ATOM 369 CG1 ILE A 25 12.185 11.847 -9.164 1.00 71.11 C ATOM 370 CG2 ILE A 25 10.686 13.571 -8.128 1.00 41.20 C ATOM 371 CD1 ILE A 25 12.098 10.782 -10.235 1.00 1.00 C ATOM 0 H ILE A 25 10.900 9.592 -8.404 1.00 42.43 H new ATOM 0 HA ILE A 25 11.642 11.539 -6.505 1.00 31.52 H new ATOM 0 HB ILE A 25 10.046 11.778 -9.090 1.00 61.11 H new ATOM 0 HG12 ILE A 25 12.519 12.780 -9.617 1.00 71.11 H new ATOM 0 HG13 ILE A 25 12.942 11.557 -8.435 1.00 71.11 H new ATOM 0 HG21 ILE A 25 10.731 14.144 -9.054 1.00 41.20 H new ATOM 0 HG22 ILE A 25 9.720 13.731 -7.649 1.00 41.20 H new ATOM 0 HG23 ILE A 25 11.482 13.900 -7.459 1.00 41.20 H new ATOM 0 HD11 ILE A 25 13.072 10.661 -10.708 1.00 1.00 H new ATOM 0 HD12 ILE A 25 11.794 9.837 -9.785 1.00 1.00 H new ATOM 0 HD13 ILE A 25 11.365 11.079 -10.985 1.00 1.00 H new ATOM 383 N THR A 26 8.399 11.014 -6.920 1.00 14.22 N ATOM 384 CA THR A 26 7.088 11.227 -6.319 1.00 51.44 C ATOM 385 C THR A 26 6.926 10.406 -5.046 1.00 23.24 C ATOM 386 O THR A 26 6.320 10.860 -4.075 1.00 72.24 O ATOM 387 CB THR A 26 5.956 10.864 -7.298 1.00 74.23 C ATOM 388 OG1 THR A 26 5.251 12.046 -7.694 1.00 4.21 O ATOM 389 CG2 THR A 26 4.986 9.879 -6.663 1.00 21.14 C ATOM 0 H THR A 26 8.392 10.414 -7.745 1.00 14.22 H new ATOM 0 HA THR A 26 7.021 12.287 -6.075 1.00 51.44 H new ATOM 0 HB THR A 26 6.402 10.397 -8.176 1.00 74.23 H new ATOM 0 HG1 THR A 26 4.534 11.806 -8.318 1.00 4.21 H new ATOM 0 HG21 THR A 26 4.195 9.638 -7.373 1.00 21.14 H new ATOM 0 HG22 THR A 26 5.519 8.968 -6.390 1.00 21.14 H new ATOM 0 HG23 THR A 26 4.548 10.324 -5.770 1.00 21.14 H new ATOM 397 N SER A 27 7.473 9.194 -5.055 1.00 5.41 N ATOM 398 CA SER A 27 7.387 8.308 -3.900 1.00 61.24 C ATOM 399 C SER A 27 8.041 8.943 -2.677 1.00 40.32 C ATOM 400 O SER A 27 7.638 8.691 -1.541 1.00 53.15 O ATOM 401 CB SER A 27 8.054 6.966 -4.210 1.00 51.21 C ATOM 402 OG SER A 27 7.472 5.920 -3.452 1.00 13.22 O ATOM 0 H SER A 27 7.980 8.804 -5.849 1.00 5.41 H new ATOM 0 HA SER A 27 6.333 8.140 -3.680 1.00 61.24 H new ATOM 0 HB2 SER A 27 7.958 6.746 -5.273 1.00 51.21 H new ATOM 0 HB3 SER A 27 9.120 7.027 -3.992 1.00 51.21 H new ATOM 0 HG SER A 27 7.238 5.176 -4.046 1.00 13.22 H new ATOM 408 N CYS A 28 9.054 9.769 -2.918 1.00 13.32 N ATOM 409 CA CYS A 28 9.766 10.442 -1.838 1.00 33.11 C ATOM 410 C CYS A 28 8.916 11.559 -1.239 1.00 41.34 C ATOM 411 O CYS A 28 8.852 11.720 -0.021 1.00 21.44 O ATOM 412 CB CYS A 28 11.090 11.012 -2.349 1.00 63.44 C ATOM 413 SG CYS A 28 12.554 10.427 -1.435 1.00 55.01 S ATOM 0 H CYS A 28 9.400 9.988 -3.852 1.00 13.32 H new ATOM 0 HA CYS A 28 9.971 9.708 -1.059 1.00 33.11 H new ATOM 0 HB2 CYS A 28 11.204 10.751 -3.401 1.00 63.44 H new ATOM 0 HB3 CYS A 28 11.051 12.100 -2.293 1.00 63.44 H new ATOM 418 N SER A 29 8.265 12.329 -2.106 1.00 2.13 N ATOM 419 CA SER A 29 7.422 13.434 -1.664 1.00 22.23 C ATOM 420 C SER A 29 6.355 12.946 -0.689 1.00 13.12 C ATOM 421 O SER A 29 5.941 13.676 0.211 1.00 11.13 O ATOM 422 CB SER A 29 6.761 14.111 -2.865 1.00 75.25 C ATOM 423 OG SER A 29 6.540 15.488 -2.617 1.00 51.41 O ATOM 0 H SER A 29 8.305 12.208 -3.118 1.00 2.13 H new ATOM 0 HA SER A 29 8.054 14.159 -1.151 1.00 22.23 H new ATOM 0 HB2 SER A 29 7.393 13.994 -3.745 1.00 75.25 H new ATOM 0 HB3 SER A 29 5.813 13.621 -3.086 1.00 75.25 H new ATOM 0 HG SER A 29 6.118 15.898 -3.401 1.00 51.41 H new ATOM 429 N MET A 30 5.914 11.707 -0.876 1.00 35.51 N ATOM 430 CA MET A 30 4.895 11.120 -0.013 1.00 31.12 C ATOM 431 C MET A 30 5.466 10.806 1.366 1.00 22.43 C ATOM 432 O MET A 30 4.721 10.595 2.323 1.00 71.04 O ATOM 433 CB MET A 30 4.331 9.847 -0.646 1.00 72.32 C ATOM 434 CG MET A 30 4.102 9.963 -2.144 1.00 51.34 C ATOM 435 SD MET A 30 2.506 9.299 -2.657 1.00 12.11 S ATOM 436 CE MET A 30 2.002 10.522 -3.864 1.00 51.52 C ATOM 0 H MET A 30 6.246 11.090 -1.617 1.00 35.51 H new ATOM 0 HA MET A 30 4.091 11.846 0.103 1.00 31.12 H new ATOM 0 HB2 MET A 30 5.016 9.021 -0.454 1.00 72.32 H new ATOM 0 HB3 MET A 30 3.387 9.597 -0.161 1.00 72.32 H new ATOM 0 HG2 MET A 30 4.166 11.011 -2.437 1.00 51.34 H new ATOM 0 HG3 MET A 30 4.897 9.435 -2.671 1.00 51.34 H new ATOM 0 HE1 MET A 30 1.437 10.037 -4.660 1.00 51.52 H new ATOM 0 HE2 MET A 30 1.377 11.273 -3.381 1.00 51.52 H new ATOM 0 HE3 MET A 30 2.885 11.002 -4.287 1.00 51.52 H new ATOM 446 N GLN A 31 6.792 10.776 1.460 1.00 34.31 N ATOM 447 CA GLN A 31 7.461 10.486 2.723 1.00 62.14 C ATOM 448 C GLN A 31 8.114 11.741 3.293 1.00 35.23 C ATOM 449 O GLN A 31 9.005 11.659 4.137 1.00 12.43 O ATOM 450 CB GLN A 31 8.514 9.393 2.527 1.00 51.52 C ATOM 451 CG GLN A 31 8.190 8.432 1.395 1.00 52.13 C ATOM 452 CD GLN A 31 8.532 6.995 1.734 1.00 74.40 C ATOM 453 OE1 GLN A 31 9.510 6.442 1.231 1.00 72.44 O ATOM 454 NE2 GLN A 31 7.725 6.381 2.592 1.00 21.20 N ATOM 0 H GLN A 31 7.423 10.949 0.678 1.00 34.31 H new ATOM 0 HA GLN A 31 6.710 10.135 3.431 1.00 62.14 H new ATOM 0 HB2 GLN A 31 9.479 9.861 2.330 1.00 51.52 H new ATOM 0 HB3 GLN A 31 8.616 8.828 3.454 1.00 51.52 H new ATOM 0 HG2 GLN A 31 7.129 8.502 1.156 1.00 52.13 H new ATOM 0 HG3 GLN A 31 8.738 8.731 0.502 1.00 52.13 H new ATOM 0 HE21 GLN A 31 6.925 6.878 2.985 1.00 21.20 H new ATOM 0 HE22 GLN A 31 7.905 5.413 2.858 1.00 21.20 H new ATOM 463 N ASN A 32 7.663 12.901 2.826 1.00 30.42 N ATOM 464 CA ASN A 32 8.204 14.173 3.290 1.00 51.22 C ATOM 465 C ASN A 32 9.669 14.319 2.890 1.00 0.53 C ATOM 466 O ASN A 32 10.488 14.820 3.662 1.00 35.02 O ATOM 467 CB ASN A 32 8.064 14.287 4.809 1.00 1.42 C ATOM 468 CG ASN A 32 7.656 15.680 5.249 1.00 10.12 C ATOM 469 OD1 ASN A 32 7.615 16.611 4.444 1.00 23.51 O ATOM 470 ND2 ASN A 32 7.352 15.829 6.533 1.00 15.22 N ATOM 0 H ASN A 32 6.925 12.986 2.127 1.00 30.42 H new ATOM 0 HA ASN A 32 7.636 14.975 2.819 1.00 51.22 H new ATOM 0 HB2 ASN A 32 7.324 13.567 5.158 1.00 1.42 H new ATOM 0 HB3 ASN A 32 9.011 14.023 5.279 1.00 1.42 H new ATOM 0 HD21 ASN A 32 7.071 16.743 6.888 1.00 15.22 H new ATOM 0 HD22 ASN A 32 7.400 15.029 7.165 1.00 15.22 H new ATOM 477 N CYS A 33 9.993 13.880 1.679 1.00 71.21 N ATOM 478 CA CYS A 33 11.359 13.961 1.175 1.00 15.11 C ATOM 479 C CYS A 33 11.489 15.068 0.132 1.00 33.34 C ATOM 480 O CYS A 33 10.556 15.838 -0.091 1.00 33.14 O ATOM 481 CB CYS A 33 11.781 12.622 0.569 1.00 63.43 C ATOM 482 SG CYS A 33 11.973 11.281 1.787 1.00 2.34 S ATOM 0 H CYS A 33 9.328 13.464 1.027 1.00 71.21 H new ATOM 0 HA CYS A 33 12.016 14.196 2.013 1.00 15.11 H new ATOM 0 HB2 CYS A 33 11.041 12.322 -0.172 1.00 63.43 H new ATOM 0 HB3 CYS A 33 12.725 12.756 0.041 1.00 63.43 H new ATOM 487 N GLY A 34 12.654 15.140 -0.504 1.00 30.30 N ATOM 488 CA GLY A 34 12.885 16.154 -1.515 1.00 44.44 C ATOM 489 C GLY A 34 12.910 15.580 -2.918 1.00 23.11 C ATOM 490 O GLY A 34 12.132 15.990 -3.780 1.00 2.43 O ATOM 0 H GLY A 34 13.442 14.514 -0.337 1.00 30.30 H new ATOM 0 HA2 GLY A 34 12.104 16.912 -1.450 1.00 44.44 H new ATOM 0 HA3 GLY A 34 13.832 16.654 -1.314 1.00 44.44 H new ATOM 494 N THR A 35 13.808 14.627 -3.150 1.00 2.32 N ATOM 495 CA THR A 35 13.934 13.998 -4.458 1.00 72.51 C ATOM 496 C THR A 35 14.328 12.531 -4.327 1.00 31.12 C ATOM 497 O THR A 35 14.483 12.016 -3.220 1.00 51.41 O ATOM 498 CB THR A 35 14.976 14.721 -5.332 1.00 74.02 C ATOM 499 OG1 THR A 35 14.859 14.288 -6.692 1.00 43.33 O ATOM 500 CG2 THR A 35 16.385 14.452 -4.828 1.00 44.10 C ATOM 0 H THR A 35 14.459 14.274 -2.448 1.00 2.32 H new ATOM 0 HA THR A 35 12.957 14.068 -4.937 1.00 72.51 H new ATOM 0 HB THR A 35 14.786 15.793 -5.275 1.00 74.02 H new ATOM 0 HG1 THR A 35 15.524 14.753 -7.242 1.00 43.33 H new ATOM 0 HG21 THR A 35 17.103 14.973 -5.461 1.00 44.10 H new ATOM 0 HG22 THR A 35 16.479 14.809 -3.802 1.00 44.10 H new ATOM 0 HG23 THR A 35 16.584 13.381 -4.859 1.00 44.10 H new ATOM 508 N GLY A 36 14.489 11.862 -5.464 1.00 64.25 N ATOM 509 CA GLY A 36 14.865 10.460 -5.454 1.00 11.11 C ATOM 510 C GLY A 36 15.236 9.949 -6.832 1.00 20.22 C ATOM 511 O GLY A 36 14.494 10.144 -7.794 1.00 72.33 O ATOM 0 H GLY A 36 14.366 12.266 -6.393 1.00 64.25 H new ATOM 0 HA2 GLY A 36 15.708 10.318 -4.778 1.00 11.11 H new ATOM 0 HA3 GLY A 36 14.038 9.868 -5.061 1.00 11.11 H new ATOM 515 N SER A 37 16.389 9.294 -6.928 1.00 33.13 N ATOM 516 CA SER A 37 16.860 8.758 -8.199 1.00 72.13 C ATOM 517 C SER A 37 17.035 7.244 -8.119 1.00 50.54 C ATOM 518 O SER A 37 17.416 6.706 -7.080 1.00 31.33 O ATOM 519 CB SER A 37 18.183 9.416 -8.595 1.00 61.33 C ATOM 520 OG SER A 37 18.262 9.598 -9.998 1.00 63.14 O ATOM 0 H SER A 37 17.014 9.122 -6.140 1.00 33.13 H new ATOM 0 HA SER A 37 16.111 8.980 -8.959 1.00 72.13 H new ATOM 0 HB2 SER A 37 18.278 10.380 -8.094 1.00 61.33 H new ATOM 0 HB3 SER A 37 19.015 8.798 -8.258 1.00 61.33 H new ATOM 0 HG SER A 37 19.116 10.022 -10.225 1.00 63.14 H new ATOM 526 N CYS A 38 16.754 6.564 -9.225 1.00 60.53 N ATOM 527 CA CYS A 38 16.879 5.112 -9.283 1.00 2.21 C ATOM 528 C CYS A 38 18.009 4.700 -10.223 1.00 13.53 C ATOM 529 O CYS A 38 18.212 5.310 -11.273 1.00 15.41 O ATOM 530 CB CYS A 38 15.563 4.484 -9.744 1.00 73.31 C ATOM 531 SG CYS A 38 15.189 4.751 -11.507 1.00 34.11 S ATOM 0 H CYS A 38 16.438 6.995 -10.094 1.00 60.53 H new ATOM 0 HA CYS A 38 17.114 4.752 -8.281 1.00 2.21 H new ATOM 0 HB2 CYS A 38 15.596 3.412 -9.549 1.00 73.31 H new ATOM 0 HB3 CYS A 38 14.749 4.892 -9.145 1.00 73.31 H new ATOM 536 N LYS A 39 18.742 3.661 -9.838 1.00 12.21 N ATOM 537 CA LYS A 39 19.850 3.165 -10.645 1.00 42.41 C ATOM 538 C LYS A 39 19.968 1.649 -10.534 1.00 62.41 C ATOM 539 O LYS A 39 19.687 1.069 -9.485 1.00 22.30 O ATOM 540 CB LYS A 39 21.161 3.823 -10.207 1.00 71.14 C ATOM 541 CG LYS A 39 21.060 5.329 -10.040 1.00 15.10 C ATOM 542 CD LYS A 39 22.362 5.922 -9.528 1.00 55.22 C ATOM 543 CE LYS A 39 22.440 7.416 -9.805 1.00 24.31 C ATOM 544 NZ LYS A 39 23.706 7.785 -10.497 1.00 51.53 N ATOM 0 H LYS A 39 18.588 3.146 -8.971 1.00 12.21 H new ATOM 0 HA LYS A 39 19.652 3.421 -11.686 1.00 42.41 H new ATOM 0 HB2 LYS A 39 21.481 3.382 -9.263 1.00 71.14 H new ATOM 0 HB3 LYS A 39 21.934 3.598 -10.942 1.00 71.14 H new ATOM 0 HG2 LYS A 39 20.802 5.785 -10.996 1.00 15.10 H new ATOM 0 HG3 LYS A 39 20.254 5.566 -9.346 1.00 15.10 H new ATOM 0 HD2 LYS A 39 22.447 5.745 -8.456 1.00 55.22 H new ATOM 0 HD3 LYS A 39 23.204 5.418 -10.003 1.00 55.22 H new ATOM 0 HE2 LYS A 39 21.590 7.717 -10.417 1.00 24.31 H new ATOM 0 HE3 LYS A 39 22.366 7.964 -8.866 1.00 24.31 H new ATOM 0 HZ1 LYS A 39 23.722 8.811 -10.668 1.00 51.53 H new ATOM 0 HZ2 LYS A 39 24.517 7.521 -9.902 1.00 51.53 H new ATOM 0 HZ3 LYS A 39 23.765 7.281 -11.405 1.00 51.53 H new ATOM 558 N LYS A 40 20.387 1.011 -11.622 1.00 51.11 N ATOM 559 CA LYS A 40 20.545 -0.438 -11.647 1.00 22.10 C ATOM 560 C LYS A 40 21.676 -0.878 -10.722 1.00 15.21 C ATOM 561 O LYS A 40 22.842 -0.566 -10.961 1.00 24.33 O ATOM 562 CB LYS A 40 20.824 -0.917 -13.074 1.00 10.15 C ATOM 563 CG LYS A 40 19.618 -1.543 -13.752 1.00 14.24 C ATOM 564 CD LYS A 40 19.130 -2.770 -13.000 1.00 72.11 C ATOM 565 CE LYS A 40 18.040 -3.499 -13.771 1.00 63.32 C ATOM 566 NZ LYS A 40 16.808 -2.674 -13.905 1.00 1.20 N ATOM 0 H LYS A 40 20.623 1.476 -12.499 1.00 51.11 H new ATOM 0 HA LYS A 40 19.616 -0.886 -11.295 1.00 22.10 H new ATOM 0 HB2 LYS A 40 21.168 -0.072 -13.671 1.00 10.15 H new ATOM 0 HB3 LYS A 40 21.636 -1.644 -13.052 1.00 10.15 H new ATOM 0 HG2 LYS A 40 18.814 -0.810 -13.815 1.00 14.24 H new ATOM 0 HG3 LYS A 40 19.877 -1.821 -14.774 1.00 14.24 H new ATOM 0 HD2 LYS A 40 19.966 -3.446 -12.823 1.00 72.11 H new ATOM 0 HD3 LYS A 40 18.749 -2.472 -12.023 1.00 72.11 H new ATOM 0 HE2 LYS A 40 18.410 -3.762 -14.762 1.00 63.32 H new ATOM 0 HE3 LYS A 40 17.798 -4.433 -13.263 1.00 63.32 H new ATOM 0 HZ1 LYS A 40 15.974 -3.259 -13.697 1.00 1.20 H new ATOM 0 HZ2 LYS A 40 16.848 -1.879 -13.236 1.00 1.20 H new ATOM 0 HZ3 LYS A 40 16.740 -2.307 -14.876 1.00 1.20 H new ATOM 580 N ARG A 41 21.322 -1.604 -9.667 1.00 32.23 N ATOM 581 CA ARG A 41 22.307 -2.087 -8.706 1.00 51.24 C ATOM 582 C ARG A 41 22.558 -3.581 -8.890 1.00 4.42 C ATOM 583 O ARG A 41 21.695 -4.407 -8.593 1.00 42.44 O ATOM 584 CB ARG A 41 21.836 -1.810 -7.278 1.00 10.35 C ATOM 585 CG ARG A 41 21.626 -0.334 -6.981 1.00 12.10 C ATOM 586 CD ARG A 41 22.928 0.445 -7.077 1.00 64.32 C ATOM 587 NE ARG A 41 23.877 0.055 -6.038 1.00 23.32 N ATOM 588 CZ ARG A 41 23.732 0.367 -4.755 1.00 14.20 C ATOM 589 NH1 ARG A 41 22.681 1.070 -4.356 1.00 13.23 N ATOM 590 NH2 ARG A 41 24.638 -0.024 -3.868 1.00 60.14 N ATOM 0 H ARG A 41 20.360 -1.871 -9.456 1.00 32.23 H new ATOM 0 HA ARG A 41 23.242 -1.554 -8.882 1.00 51.24 H new ATOM 0 HB2 ARG A 41 20.902 -2.344 -7.103 1.00 10.35 H new ATOM 0 HB3 ARG A 41 22.569 -2.212 -6.578 1.00 10.35 H new ATOM 0 HG2 ARG A 41 20.901 0.080 -7.682 1.00 12.10 H new ATOM 0 HG3 ARG A 41 21.205 -0.219 -5.982 1.00 12.10 H new ATOM 0 HD2 ARG A 41 23.376 0.282 -8.057 1.00 64.32 H new ATOM 0 HD3 ARG A 41 22.719 1.512 -6.995 1.00 64.32 H new ATOM 0 HE ARG A 41 24.696 -0.487 -6.313 1.00 23.32 H new ATOM 0 HH11 ARG A 41 21.982 1.372 -5.035 1.00 13.23 H new ATOM 0 HH12 ARG A 41 22.571 1.309 -3.370 1.00 13.23 H new ATOM 0 HH21 ARG A 41 25.448 -0.565 -4.171 1.00 60.14 H new ATOM 0 HH22 ARG A 41 24.525 0.217 -2.883 1.00 60.14 H new ATOM 604 N SER A 42 23.746 -3.920 -9.381 1.00 2.42 N ATOM 605 CA SER A 42 24.110 -5.313 -9.608 1.00 30.31 C ATOM 606 C SER A 42 23.120 -5.986 -10.554 1.00 50.11 C ATOM 607 O SER A 42 22.844 -7.179 -10.437 1.00 22.05 O ATOM 608 CB SER A 42 24.160 -6.072 -8.280 1.00 62.25 C ATOM 609 OG SER A 42 25.332 -6.865 -8.190 1.00 54.40 O ATOM 0 H SER A 42 24.473 -3.249 -9.629 1.00 2.42 H new ATOM 0 HA SER A 42 25.098 -5.334 -10.068 1.00 30.31 H new ATOM 0 HB2 SER A 42 24.131 -5.364 -7.452 1.00 62.25 H new ATOM 0 HB3 SER A 42 23.279 -6.707 -8.187 1.00 62.25 H new ATOM 0 HG SER A 42 25.341 -7.339 -7.332 1.00 54.40 H new ATOM 615 N GLY A 43 22.588 -5.210 -11.494 1.00 11.35 N ATOM 616 CA GLY A 43 21.634 -5.746 -12.447 1.00 22.33 C ATOM 617 C GLY A 43 20.225 -5.795 -11.892 1.00 34.45 C ATOM 618 O GLY A 43 19.324 -6.358 -12.514 1.00 63.44 O ATOM 0 H GLY A 43 22.801 -4.220 -11.612 1.00 11.35 H new ATOM 0 HA2 GLY A 43 21.645 -5.135 -13.350 1.00 22.33 H new ATOM 0 HA3 GLY A 43 21.941 -6.750 -12.738 1.00 22.33 H new ATOM 622 N ARG A 44 20.032 -5.206 -10.716 1.00 45.20 N ATOM 623 CA ARG A 44 18.723 -5.187 -10.076 1.00 31.34 C ATOM 624 C ARG A 44 18.172 -3.766 -10.005 1.00 3.12 C ATOM 625 O ARG A 44 18.869 -2.822 -9.631 1.00 50.04 O ATOM 626 CB ARG A 44 18.811 -5.782 -8.669 1.00 30.20 C ATOM 627 CG ARG A 44 19.285 -7.226 -8.647 1.00 31.20 C ATOM 628 CD ARG A 44 18.203 -8.175 -9.138 1.00 32.10 C ATOM 629 NE ARG A 44 18.553 -9.573 -8.902 1.00 71.34 N ATOM 630 CZ ARG A 44 17.823 -10.596 -9.333 1.00 20.21 C ATOM 631 NH1 ARG A 44 16.709 -10.378 -10.018 1.00 31.21 N ATOM 632 NH2 ARG A 44 18.207 -11.841 -9.079 1.00 4.41 N ATOM 0 H ARG A 44 20.767 -4.736 -10.187 1.00 45.20 H new ATOM 0 HA ARG A 44 18.044 -5.791 -10.677 1.00 31.34 H new ATOM 0 HB2 ARG A 44 19.490 -5.176 -8.069 1.00 30.20 H new ATOM 0 HB3 ARG A 44 17.830 -5.723 -8.197 1.00 30.20 H new ATOM 0 HG2 ARG A 44 20.172 -7.329 -9.273 1.00 31.20 H new ATOM 0 HG3 ARG A 44 19.577 -7.499 -7.633 1.00 31.20 H new ATOM 0 HD2 ARG A 44 17.264 -7.946 -8.634 1.00 32.10 H new ATOM 0 HD3 ARG A 44 18.039 -8.017 -10.204 1.00 32.10 H new ATOM 0 HE ARG A 44 19.404 -9.775 -8.378 1.00 71.34 H new ATOM 0 HH11 ARG A 44 16.410 -9.423 -10.215 1.00 31.21 H new ATOM 0 HH12 ARG A 44 16.151 -11.165 -10.348 1.00 31.21 H new ATOM 0 HH21 ARG A 44 19.063 -12.013 -8.552 1.00 4.41 H new ATOM 0 HH22 ARG A 44 17.646 -12.626 -9.410 1.00 4.41 H new ATOM 646 N PRO A 45 16.892 -3.608 -10.372 1.00 60.02 N ATOM 647 CA PRO A 45 16.220 -2.306 -10.359 1.00 54.50 C ATOM 648 C PRO A 45 15.979 -1.792 -8.944 1.00 1.43 C ATOM 649 O PRO A 45 14.968 -2.113 -8.318 1.00 23.30 O ATOM 650 CB PRO A 45 14.888 -2.587 -11.059 1.00 52.23 C ATOM 651 CG PRO A 45 14.645 -4.041 -10.842 1.00 44.45 C ATOM 652 CD PRO A 45 16.002 -4.689 -10.828 1.00 41.02 C ATOM 0 HA PRO A 45 16.818 -1.534 -10.844 1.00 54.50 H new ATOM 0 HB2 PRO A 45 14.084 -1.984 -10.637 1.00 52.23 H new ATOM 0 HB3 PRO A 45 14.941 -2.349 -12.121 1.00 52.23 H new ATOM 0 HG2 PRO A 45 14.120 -4.213 -9.902 1.00 44.45 H new ATOM 0 HG3 PRO A 45 14.023 -4.455 -11.635 1.00 44.45 H new ATOM 0 HD2 PRO A 45 16.032 -5.545 -10.154 1.00 41.02 H new ATOM 0 HD3 PRO A 45 16.284 -5.052 -11.816 1.00 41.02 H new ATOM 660 N THR A 46 16.914 -0.990 -8.443 1.00 63.10 N ATOM 661 CA THR A 46 16.804 -0.432 -7.101 1.00 62.02 C ATOM 662 C THR A 46 16.455 1.051 -7.149 1.00 73.14 C ATOM 663 O THR A 46 17.015 1.806 -7.944 1.00 64.04 O ATOM 664 CB THR A 46 18.112 -0.614 -6.308 1.00 61.10 C ATOM 665 OG1 THR A 46 18.418 -2.007 -6.180 1.00 73.24 O ATOM 666 CG2 THR A 46 17.999 0.014 -4.927 1.00 44.12 C ATOM 0 H THR A 46 17.756 -0.713 -8.947 1.00 63.10 H new ATOM 0 HA THR A 46 16.004 -0.975 -6.598 1.00 62.02 H new ATOM 0 HB THR A 46 18.913 -0.115 -6.853 1.00 61.10 H new ATOM 0 HG1 THR A 46 19.252 -2.114 -5.676 1.00 73.24 H new ATOM 0 HG21 THR A 46 18.934 -0.127 -4.386 1.00 44.12 H new ATOM 0 HG22 THR A 46 17.795 1.080 -5.028 1.00 44.12 H new ATOM 0 HG23 THR A 46 17.186 -0.460 -4.377 1.00 44.12 H new ATOM 674 N CYS A 47 15.525 1.463 -6.294 1.00 4.22 N ATOM 675 CA CYS A 47 15.101 2.857 -6.238 1.00 73.31 C ATOM 676 C CYS A 47 15.692 3.557 -5.018 1.00 42.33 C ATOM 677 O CYS A 47 15.441 3.163 -3.880 1.00 31.25 O ATOM 678 CB CYS A 47 13.574 2.945 -6.200 1.00 52.11 C ATOM 679 SG CYS A 47 12.884 4.322 -7.173 1.00 4.41 S ATOM 0 H CYS A 47 15.050 0.851 -5.630 1.00 4.22 H new ATOM 0 HA CYS A 47 15.466 3.358 -7.134 1.00 73.31 H new ATOM 0 HB2 CYS A 47 13.157 2.008 -6.570 1.00 52.11 H new ATOM 0 HB3 CYS A 47 13.252 3.049 -5.164 1.00 52.11 H new ATOM 684 N VAL A 48 16.480 4.599 -5.265 1.00 54.43 N ATOM 685 CA VAL A 48 17.106 5.356 -4.188 1.00 42.42 C ATOM 686 C VAL A 48 16.480 6.740 -4.052 1.00 72.40 C ATOM 687 O VAL A 48 16.052 7.339 -5.039 1.00 14.33 O ATOM 688 CB VAL A 48 18.621 5.511 -4.419 1.00 2.44 C ATOM 689 CG1 VAL A 48 19.329 5.839 -3.113 1.00 24.21 C ATOM 690 CG2 VAL A 48 19.196 4.250 -5.045 1.00 22.12 C ATOM 0 H VAL A 48 16.700 4.938 -6.202 1.00 54.43 H new ATOM 0 HA VAL A 48 16.941 4.794 -3.269 1.00 42.42 H new ATOM 0 HB VAL A 48 18.783 6.338 -5.110 1.00 2.44 H new ATOM 0 HG11 VAL A 48 20.398 5.945 -3.295 1.00 24.21 H new ATOM 0 HG12 VAL A 48 18.935 6.772 -2.710 1.00 24.21 H new ATOM 0 HG13 VAL A 48 19.161 5.035 -2.396 1.00 24.21 H new ATOM 0 HG21 VAL A 48 20.267 4.377 -5.201 1.00 22.12 H new ATOM 0 HG22 VAL A 48 19.024 3.403 -4.381 1.00 22.12 H new ATOM 0 HG23 VAL A 48 18.709 4.065 -6.003 1.00 22.12 H new ATOM 700 N CYS A 49 16.430 7.242 -2.823 1.00 34.01 N ATOM 701 CA CYS A 49 15.856 8.555 -2.556 1.00 13.22 C ATOM 702 C CYS A 49 16.919 9.518 -2.036 1.00 2.04 C ATOM 703 O CYS A 49 18.010 9.102 -1.645 1.00 3.30 O ATOM 704 CB CYS A 49 14.716 8.440 -1.541 1.00 42.23 C ATOM 705 SG CYS A 49 13.069 8.803 -2.229 1.00 72.13 S ATOM 0 H CYS A 49 16.780 6.759 -1.996 1.00 34.01 H new ATOM 0 HA CYS A 49 15.461 8.948 -3.493 1.00 13.22 H new ATOM 0 HB2 CYS A 49 14.711 7.431 -1.129 1.00 42.23 H new ATOM 0 HB3 CYS A 49 14.911 9.122 -0.713 1.00 42.23 H new ATOM 710 N TYR A 50 16.593 10.806 -2.034 1.00 21.34 N ATOM 711 CA TYR A 50 17.520 11.828 -1.564 1.00 2.22 C ATOM 712 C TYR A 50 16.767 13.053 -1.053 1.00 25.00 C ATOM 713 O TYR A 50 15.546 13.140 -1.176 1.00 14.14 O ATOM 714 CB TYR A 50 18.476 12.235 -2.687 1.00 32.21 C ATOM 715 CG TYR A 50 19.364 11.108 -3.164 1.00 20.02 C ATOM 716 CD1 TYR A 50 18.975 10.288 -4.216 1.00 54.21 C ATOM 717 CD2 TYR A 50 20.592 10.862 -2.562 1.00 12.21 C ATOM 718 CE1 TYR A 50 19.782 9.257 -4.655 1.00 24.01 C ATOM 719 CE2 TYR A 50 21.407 9.834 -2.995 1.00 53.30 C ATOM 720 CZ TYR A 50 20.998 9.034 -4.042 1.00 14.45 C ATOM 721 OH TYR A 50 21.806 8.009 -4.475 1.00 71.50 O ATOM 0 H TYR A 50 15.694 11.167 -2.353 1.00 21.34 H new ATOM 0 HA TYR A 50 18.096 11.408 -0.740 1.00 2.22 H new ATOM 0 HB2 TYR A 50 17.895 12.610 -3.529 1.00 32.21 H new ATOM 0 HB3 TYR A 50 19.102 13.057 -2.340 1.00 32.21 H new ATOM 0 HD1 TYR A 50 18.024 10.460 -4.699 1.00 54.21 H new ATOM 0 HD2 TYR A 50 20.915 11.485 -1.741 1.00 12.21 H new ATOM 0 HE1 TYR A 50 19.463 8.629 -5.474 1.00 24.01 H new ATOM 0 HE2 TYR A 50 22.359 9.658 -2.517 1.00 53.30 H new ATOM 0 HH TYR A 50 22.626 7.989 -3.938 1.00 71.50 H new ATOM 731 N ARG A 51 17.507 13.997 -0.480 1.00 53.33 N ATOM 732 CA ARG A 51 16.911 15.218 0.050 1.00 35.50 C ATOM 733 C ARG A 51 15.744 14.893 0.978 1.00 13.55 C ATOM 734 O ARG A 51 14.803 15.678 1.108 1.00 22.41 O ATOM 735 CB ARG A 51 16.433 16.115 -1.093 1.00 12.54 C ATOM 736 CG ARG A 51 17.534 16.499 -2.067 1.00 5.41 C ATOM 737 CD ARG A 51 17.419 17.955 -2.493 1.00 24.34 C ATOM 738 NE ARG A 51 18.724 18.606 -2.575 1.00 61.43 N ATOM 739 CZ ARG A 51 18.899 19.849 -3.009 1.00 30.01 C ATOM 740 NH1 ARG A 51 17.857 20.572 -3.397 1.00 4.05 N ATOM 741 NH2 ARG A 51 20.118 20.372 -3.055 1.00 32.31 N ATOM 0 H ARG A 51 18.520 13.940 -0.371 1.00 53.33 H new ATOM 0 HA ARG A 51 17.673 15.747 0.623 1.00 35.50 H new ATOM 0 HB2 ARG A 51 15.640 15.603 -1.638 1.00 12.54 H new ATOM 0 HB3 ARG A 51 15.998 17.022 -0.674 1.00 12.54 H new ATOM 0 HG2 ARG A 51 18.506 16.330 -1.604 1.00 5.41 H new ATOM 0 HG3 ARG A 51 17.484 15.857 -2.946 1.00 5.41 H new ATOM 0 HD2 ARG A 51 16.924 18.011 -3.463 1.00 24.34 H new ATOM 0 HD3 ARG A 51 16.790 18.492 -1.783 1.00 24.34 H new ATOM 0 HE ARG A 51 19.546 18.077 -2.283 1.00 61.43 H new ATOM 0 HH11 ARG A 51 16.919 20.174 -3.362 1.00 4.05 H new ATOM 0 HH12 ARG A 51 17.994 21.526 -3.730 1.00 4.05 H new ATOM 0 HH21 ARG A 51 20.922 19.819 -2.757 1.00 32.31 H new ATOM 0 HH22 ARG A 51 20.251 21.327 -3.389 1.00 32.31 H new ATOM 755 N CYS A 52 15.811 13.733 1.622 1.00 22.01 N ATOM 756 CA CYS A 52 14.761 13.304 2.538 1.00 61.42 C ATOM 757 C CYS A 52 14.803 14.112 3.831 1.00 24.04 C ATOM 758 O CYS A 52 15.702 14.928 4.036 1.00 35.14 O ATOM 759 CB CYS A 52 14.906 11.813 2.850 1.00 30.11 C ATOM 760 SG CYS A 52 13.321 10.930 3.013 1.00 71.11 S ATOM 0 H CYS A 52 16.582 13.072 1.526 1.00 22.01 H new ATOM 0 HA CYS A 52 13.799 13.476 2.055 1.00 61.42 H new ATOM 0 HB2 CYS A 52 15.492 11.343 2.060 1.00 30.11 H new ATOM 0 HB3 CYS A 52 15.470 11.700 3.776 1.00 30.11 H new ATOM 765 N ALA A 53 13.826 13.879 4.701 1.00 74.53 N ATOM 766 CA ALA A 53 13.752 14.582 5.975 1.00 41.51 C ATOM 767 C ALA A 53 14.137 13.666 7.131 1.00 2.24 C ATOM 768 O ALA A 53 14.661 14.121 8.147 1.00 22.54 O ATOM 769 CB ALA A 53 12.354 15.145 6.187 1.00 23.34 C ATOM 0 H ALA A 53 13.074 13.208 4.546 1.00 74.53 H new ATOM 0 HA ALA A 53 14.464 15.407 5.948 1.00 41.51 H new ATOM 0 HB1 ALA A 53 12.313 15.668 7.143 1.00 23.34 H new ATOM 0 HB2 ALA A 53 12.116 15.841 5.382 1.00 23.34 H new ATOM 0 HB3 ALA A 53 11.630 14.330 6.188 1.00 23.34 H new ATOM 775 N ASN A 54 13.873 12.374 6.969 1.00 22.34 N ATOM 776 CA ASN A 54 14.191 11.393 8.001 1.00 3.54 C ATOM 777 C ASN A 54 15.580 10.802 7.780 1.00 71.52 C ATOM 778 O ASN A 54 15.903 9.736 8.303 1.00 74.33 O ATOM 779 CB ASN A 54 13.145 10.277 8.014 1.00 51.32 C ATOM 780 CG ASN A 54 13.049 9.590 9.362 1.00 13.02 C ATOM 781 OD1 ASN A 54 12.359 10.064 10.265 1.00 75.30 O ATOM 782 ND2 ASN A 54 13.743 8.467 9.505 1.00 72.14 N ATOM 0 H ASN A 54 13.440 11.981 6.133 1.00 22.34 H new ATOM 0 HA ASN A 54 14.181 11.901 8.965 1.00 3.54 H new ATOM 0 HB2 ASN A 54 12.172 10.692 7.751 1.00 51.32 H new ATOM 0 HB3 ASN A 54 13.395 9.540 7.251 1.00 51.32 H new ATOM 0 HD21 ASN A 54 13.717 7.961 10.390 1.00 72.14 H new ATOM 0 HD22 ASN A 54 14.302 8.110 8.730 1.00 72.14 H new ATOM 789 N GLY A 55 16.399 11.502 7.000 1.00 34.14 N ATOM 790 CA GLY A 55 17.743 11.031 6.724 1.00 71.35 C ATOM 791 C GLY A 55 18.505 11.962 5.802 1.00 24.01 C ATOM 792 O GLY A 55 19.728 12.070 5.890 1.00 13.11 O ATOM 0 H GLY A 55 16.155 12.387 6.555 1.00 34.14 H new ATOM 0 HA2 GLY A 55 18.288 10.927 7.662 1.00 71.35 H new ATOM 0 HA3 GLY A 55 17.692 10.040 6.273 1.00 71.35 H new ATOM 796 N GLY A 56 17.782 12.636 4.913 1.00 32.02 N ATOM 797 CA GLY A 56 18.415 13.552 3.983 1.00 11.50 C ATOM 798 C GLY A 56 19.457 12.872 3.118 1.00 44.31 C ATOM 799 O GLY A 56 20.637 13.218 3.168 1.00 60.12 O ATOM 0 H GLY A 56 16.769 12.564 4.820 1.00 32.02 H new ATOM 0 HA2 GLY A 56 17.654 14.000 3.345 1.00 11.50 H new ATOM 0 HA3 GLY A 56 18.883 14.364 4.539 1.00 11.50 H new ATOM 803 N GLY A 57 19.022 11.900 2.323 1.00 75.14 N ATOM 804 CA GLY A 57 19.939 11.184 1.456 1.00 73.44 C ATOM 805 C GLY A 57 19.381 9.851 0.997 1.00 63.24 C ATOM 806 O GLY A 57 18.178 9.717 0.776 1.00 74.42 O ATOM 0 H GLY A 57 18.050 11.595 2.264 1.00 75.14 H new ATOM 0 HA2 GLY A 57 20.166 11.799 0.585 1.00 73.44 H new ATOM 0 HA3 GLY A 57 20.879 11.019 1.983 1.00 73.44 H new ATOM 810 N ASP A 58 20.258 8.863 0.851 1.00 11.41 N ATOM 811 CA ASP A 58 19.847 7.534 0.415 1.00 52.14 C ATOM 812 C ASP A 58 18.896 6.900 1.425 1.00 25.14 C ATOM 813 O ASP A 58 19.326 6.392 2.462 1.00 51.31 O ATOM 814 CB ASP A 58 21.070 6.638 0.215 1.00 44.53 C ATOM 815 CG ASP A 58 22.122 6.847 1.287 1.00 73.20 C ATOM 816 OD1 ASP A 58 21.748 7.210 2.422 1.00 1.21 O ATOM 817 OD2 ASP A 58 23.318 6.646 0.991 1.00 30.54 O ATOM 0 H ASP A 58 21.258 8.958 1.028 1.00 11.41 H new ATOM 0 HA ASP A 58 19.323 7.637 -0.535 1.00 52.14 H new ATOM 0 HB2 ASP A 58 20.756 5.594 0.216 1.00 44.53 H new ATOM 0 HB3 ASP A 58 21.507 6.838 -0.763 1.00 44.53 H new ATOM 822 N ILE A 59 17.604 6.934 1.117 1.00 25.21 N ATOM 823 CA ILE A 59 16.594 6.362 1.999 1.00 40.43 C ATOM 824 C ILE A 59 15.572 5.551 1.210 1.00 30.31 C ATOM 825 O ILE A 59 14.739 6.093 0.483 1.00 30.14 O ATOM 826 CB ILE A 59 15.859 7.456 2.796 1.00 23.03 C ATOM 827 CG1 ILE A 59 16.861 8.467 3.359 1.00 35.22 C ATOM 828 CG2 ILE A 59 15.040 6.834 3.917 1.00 74.12 C ATOM 829 CD1 ILE A 59 17.544 7.999 4.625 1.00 44.31 C ATOM 0 H ILE A 59 17.232 7.351 0.264 1.00 25.21 H new ATOM 0 HA ILE A 59 17.117 5.706 2.695 1.00 40.43 H new ATOM 0 HB ILE A 59 15.180 7.981 2.124 1.00 23.03 H new ATOM 0 HG12 ILE A 59 17.618 8.676 2.603 1.00 35.22 H new ATOM 0 HG13 ILE A 59 16.344 9.405 3.560 1.00 35.22 H new ATOM 0 HG21 ILE A 59 14.526 7.619 4.471 1.00 74.12 H new ATOM 0 HG22 ILE A 59 14.305 6.149 3.494 1.00 74.12 H new ATOM 0 HG23 ILE A 59 15.701 6.287 4.590 1.00 74.12 H new ATOM 0 HD11 ILE A 59 18.240 8.765 4.967 1.00 44.31 H new ATOM 0 HD12 ILE A 59 16.796 7.818 5.396 1.00 44.31 H new ATOM 0 HD13 ILE A 59 18.089 7.077 4.425 1.00 44.31 H new ATOM 841 N PRO A 60 15.634 4.219 1.356 1.00 31.15 N ATOM 842 CA PRO A 60 14.719 3.303 0.668 1.00 45.44 C ATOM 843 C PRO A 60 13.295 3.394 1.204 1.00 10.40 C ATOM 844 O PRO A 60 13.081 3.707 2.376 1.00 32.11 O ATOM 845 CB PRO A 60 15.313 1.923 0.959 1.00 64.01 C ATOM 846 CG PRO A 60 16.071 2.097 2.230 1.00 42.14 C ATOM 847 CD PRO A 60 16.601 3.504 2.206 1.00 1.23 C ATOM 0 HA PRO A 60 14.637 3.531 -0.395 1.00 45.44 H new ATOM 0 HB2 PRO A 60 14.532 1.170 1.064 1.00 64.01 H new ATOM 0 HB3 PRO A 60 15.966 1.595 0.150 1.00 64.01 H new ATOM 0 HG2 PRO A 60 15.426 1.938 3.094 1.00 42.14 H new ATOM 0 HG3 PRO A 60 16.884 1.375 2.302 1.00 42.14 H new ATOM 0 HD2 PRO A 60 16.649 3.932 3.207 1.00 1.23 H new ATOM 0 HD3 PRO A 60 17.608 3.547 1.792 1.00 1.23 H new ATOM 855 N LEU A 61 12.324 3.119 0.340 1.00 11.33 N ATOM 856 CA LEU A 61 10.918 3.170 0.728 1.00 64.43 C ATOM 857 C LEU A 61 10.671 2.344 1.986 1.00 13.45 C ATOM 858 O LEU A 61 9.689 2.557 2.697 1.00 21.31 O ATOM 859 CB LEU A 61 10.036 2.659 -0.413 1.00 21.44 C ATOM 860 CG LEU A 61 9.993 3.529 -1.669 1.00 70.54 C ATOM 861 CD1 LEU A 61 8.924 3.028 -2.629 1.00 23.04 C ATOM 862 CD2 LEU A 61 9.743 4.984 -1.302 1.00 43.02 C ATOM 0 H LEU A 61 12.484 2.859 -0.633 1.00 11.33 H new ATOM 0 HA LEU A 61 10.662 4.208 0.941 1.00 64.43 H new ATOM 0 HB2 LEU A 61 10.382 1.665 -0.696 1.00 21.44 H new ATOM 0 HB3 LEU A 61 9.019 2.548 -0.037 1.00 21.44 H new ATOM 0 HG LEU A 61 10.960 3.462 -2.167 1.00 70.54 H new ATOM 0 HD11 LEU A 61 8.908 3.659 -3.517 1.00 23.04 H new ATOM 0 HD12 LEU A 61 9.147 2.001 -2.918 1.00 23.04 H new ATOM 0 HD13 LEU A 61 7.950 3.064 -2.140 1.00 23.04 H new ATOM 0 HD21 LEU A 61 9.716 5.588 -2.209 1.00 43.02 H new ATOM 0 HD22 LEU A 61 8.790 5.069 -0.780 1.00 43.02 H new ATOM 0 HD23 LEU A 61 10.544 5.339 -0.654 1.00 43.02 H new ATOM 874 N GLY A 62 11.570 1.403 2.257 1.00 32.14 N ATOM 875 CA GLY A 62 11.432 0.562 3.432 1.00 71.42 C ATOM 876 C GLY A 62 11.920 1.244 4.694 1.00 23.32 C ATOM 877 O GLY A 62 11.376 1.025 5.776 1.00 12.30 O ATOM 0 H GLY A 62 12.391 1.208 1.684 1.00 32.14 H new ATOM 0 HA2 GLY A 62 10.385 0.284 3.555 1.00 71.42 H new ATOM 0 HA3 GLY A 62 11.992 -0.361 3.282 1.00 71.42 H new ATOM 881 N ALA A 63 12.951 2.071 4.557 1.00 1.20 N ATOM 882 CA ALA A 63 13.513 2.787 5.696 1.00 54.54 C ATOM 883 C ALA A 63 12.677 4.017 6.037 1.00 21.51 C ATOM 884 O ALA A 63 12.719 4.515 7.163 1.00 53.02 O ATOM 885 CB ALA A 63 14.952 3.188 5.409 1.00 1.41 C ATOM 0 H ALA A 63 13.414 2.262 3.669 1.00 1.20 H new ATOM 0 HA ALA A 63 13.498 2.119 6.557 1.00 54.54 H new ATOM 0 HB1 ALA A 63 15.359 3.722 6.268 1.00 1.41 H new ATOM 0 HB2 ALA A 63 15.548 2.295 5.221 1.00 1.41 H new ATOM 0 HB3 ALA A 63 14.981 3.835 4.532 1.00 1.41 H new ATOM 891 N LEU A 64 11.920 4.501 5.060 1.00 54.45 N ATOM 892 CA LEU A 64 11.074 5.674 5.257 1.00 70.35 C ATOM 893 C LEU A 64 9.738 5.283 5.881 1.00 62.13 C ATOM 894 O LEU A 64 8.847 6.118 6.036 1.00 75.15 O ATOM 895 CB LEU A 64 10.838 6.387 3.924 1.00 60.52 C ATOM 896 CG LEU A 64 11.634 7.673 3.700 1.00 21.24 C ATOM 897 CD1 LEU A 64 11.768 7.967 2.214 1.00 35.33 C ATOM 898 CD2 LEU A 64 10.974 8.840 4.420 1.00 41.23 C ATOM 0 H LEU A 64 11.874 4.100 4.123 1.00 54.45 H new ATOM 0 HA LEU A 64 11.588 6.352 5.938 1.00 70.35 H new ATOM 0 HB2 LEU A 64 11.073 5.693 3.117 1.00 60.52 H new ATOM 0 HB3 LEU A 64 9.777 6.622 3.843 1.00 60.52 H new ATOM 0 HG LEU A 64 12.634 7.536 4.113 1.00 21.24 H new ATOM 0 HD11 LEU A 64 12.337 8.886 2.075 1.00 35.33 H new ATOM 0 HD12 LEU A 64 12.286 7.142 1.725 1.00 35.33 H new ATOM 0 HD13 LEU A 64 10.777 8.084 1.776 1.00 35.33 H new ATOM 0 HD21 LEU A 64 11.554 9.747 4.250 1.00 41.23 H new ATOM 0 HD22 LEU A 64 9.963 8.978 4.038 1.00 41.23 H new ATOM 0 HD23 LEU A 64 10.932 8.631 5.489 1.00 41.23 H new ATOM 910 N ILE A 65 9.608 4.010 6.239 1.00 43.02 N ATOM 911 CA ILE A 65 8.383 3.510 6.849 1.00 32.03 C ATOM 912 C ILE A 65 8.368 3.777 8.351 1.00 70.14 C ATOM 913 O ILE A 65 9.378 3.604 9.033 1.00 32.15 O ATOM 914 CB ILE A 65 8.208 1.999 6.606 1.00 5.21 C ATOM 915 CG1 ILE A 65 8.435 1.669 5.129 1.00 23.35 C ATOM 916 CG2 ILE A 65 6.825 1.548 7.049 1.00 31.41 C ATOM 917 CD1 ILE A 65 8.154 0.223 4.784 1.00 44.12 C ATOM 0 H ILE A 65 10.336 3.306 6.117 1.00 43.02 H new ATOM 0 HA ILE A 65 7.557 4.043 6.379 1.00 32.03 H new ATOM 0 HB ILE A 65 8.950 1.462 7.197 1.00 5.21 H new ATOM 0 HG12 ILE A 65 7.798 2.310 4.520 1.00 23.35 H new ATOM 0 HG13 ILE A 65 9.467 1.903 4.867 1.00 23.35 H new ATOM 0 HG21 ILE A 65 6.717 0.478 6.871 1.00 31.41 H new ATOM 0 HG22 ILE A 65 6.698 1.754 8.112 1.00 31.41 H new ATOM 0 HG23 ILE A 65 6.067 2.089 6.482 1.00 31.41 H new ATOM 0 HD11 ILE A 65 8.336 0.061 3.722 1.00 44.12 H new ATOM 0 HD12 ILE A 65 8.809 -0.424 5.367 1.00 44.12 H new ATOM 0 HD13 ILE A 65 7.115 -0.011 5.014 1.00 44.12 H new ATOM 929 N LYS A 66 7.215 4.198 8.860 1.00 61.13 N ATOM 930 CA LYS A 66 7.066 4.486 10.281 1.00 13.12 C ATOM 931 C LYS A 66 6.817 3.206 11.073 1.00 43.13 C ATOM 932 O LYS A 66 6.615 3.245 12.286 1.00 1.25 O ATOM 933 CB LYS A 66 5.914 5.468 10.505 1.00 12.50 C ATOM 934 CG LYS A 66 5.907 6.630 9.527 1.00 54.41 C ATOM 935 CD LYS A 66 7.121 7.524 9.714 1.00 40.31 C ATOM 936 CE LYS A 66 7.985 7.559 8.463 1.00 43.31 C ATOM 937 NZ LYS A 66 9.214 8.377 8.660 1.00 11.42 N ATOM 0 H LYS A 66 6.370 4.347 8.309 1.00 61.13 H new ATOM 0 HA LYS A 66 7.994 4.936 10.634 1.00 13.12 H new ATOM 0 HB2 LYS A 66 4.969 4.931 10.425 1.00 12.50 H new ATOM 0 HB3 LYS A 66 5.973 5.859 11.521 1.00 12.50 H new ATOM 0 HG2 LYS A 66 5.890 6.248 8.506 1.00 54.41 H new ATOM 0 HG3 LYS A 66 4.998 7.216 9.663 1.00 54.41 H new ATOM 0 HD2 LYS A 66 6.795 8.534 9.961 1.00 40.31 H new ATOM 0 HD3 LYS A 66 7.713 7.165 10.556 1.00 40.31 H new ATOM 0 HE2 LYS A 66 8.266 6.543 8.187 1.00 43.31 H new ATOM 0 HE3 LYS A 66 7.407 7.966 7.634 1.00 43.31 H new ATOM 0 HZ1 LYS A 66 9.776 8.376 7.785 1.00 11.42 H new ATOM 0 HZ2 LYS A 66 8.947 9.353 8.898 1.00 11.42 H new ATOM 0 HZ3 LYS A 66 9.779 7.974 9.435 1.00 11.42 H new ATOM 951 N ARG A 67 6.835 2.073 10.378 1.00 4.30 N ATOM 952 CA ARG A 67 6.612 0.782 11.017 1.00 63.23 C ATOM 953 C ARG A 67 5.206 0.701 11.604 1.00 41.23 C ATOM 954 O ARG A 67 4.913 -0.169 12.423 1.00 42.32 O ATOM 955 CB ARG A 67 7.650 0.547 12.116 1.00 33.32 C ATOM 956 CG ARG A 67 8.741 -0.436 11.724 1.00 33.20 C ATOM 957 CD ARG A 67 9.428 -0.019 10.433 1.00 23.42 C ATOM 958 NE ARG A 67 10.876 0.082 10.593 1.00 44.14 N ATOM 959 CZ ARG A 67 11.732 0.039 9.578 1.00 42.45 C ATOM 960 NH1 ARG A 67 11.287 -0.102 8.337 1.00 44.35 N ATOM 961 NH2 ARG A 67 13.036 0.138 9.803 1.00 41.42 N ATOM 0 H ARG A 67 7.002 2.023 9.373 1.00 4.30 H new ATOM 0 HA ARG A 67 6.715 0.007 10.258 1.00 63.23 H new ATOM 0 HB2 ARG A 67 8.109 1.500 12.380 1.00 33.32 H new ATOM 0 HB3 ARG A 67 7.144 0.179 13.009 1.00 33.32 H new ATOM 0 HG2 ARG A 67 9.478 -0.502 12.525 1.00 33.20 H new ATOM 0 HG3 ARG A 67 8.311 -1.430 11.604 1.00 33.20 H new ATOM 0 HD2 ARG A 67 9.199 -0.742 9.650 1.00 23.42 H new ATOM 0 HD3 ARG A 67 9.031 0.942 10.105 1.00 23.42 H new ATOM 0 HE ARG A 67 11.251 0.192 11.535 1.00 44.14 H new ATOM 0 HH11 ARG A 67 10.285 -0.178 8.160 1.00 44.35 H new ATOM 0 HH12 ARG A 67 11.946 -0.135 7.559 1.00 44.35 H new ATOM 0 HH21 ARG A 67 13.382 0.247 10.756 1.00 41.42 H new ATOM 0 HH22 ARG A 67 13.692 0.105 9.023 1.00 41.42 H new ATOM 975 N GLY A 68 4.339 1.616 11.179 1.00 64.34 N ATOM 976 CA GLY A 68 2.975 1.631 11.673 1.00 60.12 C ATOM 977 C GLY A 68 1.955 1.730 10.556 1.00 71.10 C ATOM 978 O GLY A 68 1.417 0.718 10.106 1.00 12.24 O ATOM 0 H GLY A 68 4.558 2.347 10.502 1.00 64.34 H new ATOM 0 HA2 GLY A 68 2.791 0.725 12.250 1.00 60.12 H new ATOM 0 HA3 GLY A 68 2.847 2.473 12.353 1.00 60.12 H new TER 982 GLY A 68