USER MOD reduce.3.24.130724 H: found=0, std=0, add=820, rem=0, adj=16 USER MOD reduce.3.24.130724 removed 823 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 56 THR OG1 : rot 160:sc= -1.16 USER MOD Set 1.2: A 59 GLN : amide:sc= -2.67 K(o=-3.8,f=-5.9) USER MOD Set 2.1: A 18 ASN : amide:sc= -0.0586 X(o=0.74,f=0.77) USER MOD Set 2.2: A 99 THR OG1 : rot -62:sc= 0.799 USER MOD Single : A 5 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 6 SER OG : rot 180:sc= 0 USER MOD Single : A 10 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 11 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Single : A 14 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 16 CYS SG : rot -18:sc=-0.00942 USER MOD Single : A 17 SER OG : rot -89:sc= 1.17 USER MOD Single : A 28 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 29 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 34 ASN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 41 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Single : A 43 ASN : amide:sc= -3.67 X(o=-3.7,f=-3.6) USER MOD Single : A 45 SER OG : rot 180:sc= 0 USER MOD Single : A 46 THR OG1 : rot 57:sc= 1.23 USER MOD Single : A 65 CYS SG : rot 180:sc= 0 USER MOD Single : A 68 GLN : amide:sc= -1.78 K(o=-1.8,f=-4!) USER MOD Single : A 73 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 76 SER OG : rot 180:sc= 0.0325 USER MOD Single : A 77 SER OG : rot 180:sc= -0.314 USER MOD Single : A 78 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 82 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Single : A 86 THR OG1 : rot 68:sc= 0.52 USER MOD Single : A 88 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 97 ASN : amide:sc= -0.0643 X(o=-0.064,f=-0.54) USER MOD Single : A 98 MET CE :methyl -154:sc= 0 (180deg=-0.696) USER MOD Single : A 101 SER OG : rot 180:sc= 0 USER MOD Single : A 102 THR OG1 : rot 180:sc= -0.834 USER MOD Single : A 108 ASN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 109 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Single : A 110 TYR OH : rot 180:sc= -0.44 USER MOD Single : A 111 SER OG : rot 180:sc= 0 USER MOD Single : A 112 GLN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 113 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD ----------------------------------------------------------------- ATOM 22 N LEU A 4 5.624 2.612 -3.836 1.00 41.40 N ATOM 23 CA LEU A 4 5.093 1.820 -4.940 1.00 21.02 C ATOM 24 C LEU A 4 5.939 0.573 -5.171 1.00 11.50 C ATOM 25 O LEU A 4 7.062 0.654 -5.671 1.00 54.54 O ATOM 26 CB LEU A 4 5.042 2.660 -6.217 1.00 72.11 C ATOM 27 CG LEU A 4 6.333 3.387 -6.594 1.00 43.02 C ATOM 28 CD1 LEU A 4 6.568 3.316 -8.096 1.00 14.42 C ATOM 29 CD2 LEU A 4 6.284 4.835 -6.129 1.00 30.24 C ATOM 0 HA LEU A 4 4.082 1.507 -4.678 1.00 21.02 H new ATOM 0 HB2 LEU A 4 4.760 2.009 -7.045 1.00 72.11 H new ATOM 0 HB3 LEU A 4 4.250 3.401 -6.109 1.00 72.11 H new ATOM 0 HG LEU A 4 7.165 2.892 -6.093 1.00 43.02 H new ATOM 0 HD11 LEU A 4 7.491 3.839 -8.345 1.00 14.42 H new ATOM 0 HD12 LEU A 4 6.648 2.273 -8.403 1.00 14.42 H new ATOM 0 HD13 LEU A 4 5.734 3.785 -8.617 1.00 14.42 H new ATOM 0 HD21 LEU A 4 7.211 5.338 -6.406 1.00 30.24 H new ATOM 0 HD22 LEU A 4 5.442 5.341 -6.602 1.00 30.24 H new ATOM 0 HD23 LEU A 4 6.164 4.866 -5.046 1.00 30.24 H new ATOM 41 N LYS A 5 5.393 -0.582 -4.805 1.00 44.34 N ATOM 42 CA LYS A 5 6.095 -1.849 -4.976 1.00 30.33 C ATOM 43 C LYS A 5 6.598 -2.004 -6.407 1.00 60.03 C ATOM 44 O LYS A 5 5.875 -1.724 -7.364 1.00 74.22 O ATOM 45 CB LYS A 5 5.175 -3.018 -4.618 1.00 43.22 C ATOM 46 CG LYS A 5 5.558 -3.722 -3.329 1.00 12.03 C ATOM 47 CD LYS A 5 5.062 -2.962 -2.110 1.00 10.34 C ATOM 48 CE LYS A 5 4.540 -3.906 -1.038 1.00 74.14 C ATOM 49 NZ LYS A 5 4.403 -3.230 0.280 1.00 4.22 N ATOM 0 H LYS A 5 4.466 -0.667 -4.388 1.00 44.34 H new ATOM 0 HA LYS A 5 6.954 -1.852 -4.305 1.00 30.33 H new ATOM 0 HB2 LYS A 5 4.152 -2.651 -4.531 1.00 43.22 H new ATOM 0 HB3 LYS A 5 5.186 -3.741 -5.434 1.00 43.22 H new ATOM 0 HG2 LYS A 5 5.141 -4.729 -3.326 1.00 12.03 H new ATOM 0 HG3 LYS A 5 6.642 -3.826 -3.278 1.00 12.03 H new ATOM 0 HD2 LYS A 5 5.873 -2.359 -1.701 1.00 10.34 H new ATOM 0 HD3 LYS A 5 4.271 -2.274 -2.406 1.00 10.34 H new ATOM 0 HE2 LYS A 5 3.572 -4.303 -1.344 1.00 74.14 H new ATOM 0 HE3 LYS A 5 5.217 -4.755 -0.942 1.00 74.14 H new ATOM 0 HZ1 LYS A 5 4.045 -3.908 0.982 1.00 4.22 H new ATOM 0 HZ2 LYS A 5 5.331 -2.873 0.585 1.00 4.22 H new ATOM 0 HZ3 LYS A 5 3.737 -2.435 0.195 1.00 4.22 H new ATOM 63 N SER A 6 7.842 -2.452 -6.548 1.00 73.33 N ATOM 64 CA SER A 6 8.442 -2.643 -7.863 1.00 24.33 C ATOM 65 C SER A 6 7.569 -3.540 -8.734 1.00 73.41 C ATOM 66 O SER A 6 7.592 -3.445 -9.961 1.00 72.23 O ATOM 67 CB SER A 6 9.840 -3.248 -7.726 1.00 40.10 C ATOM 68 OG SER A 6 10.800 -2.479 -8.428 1.00 65.40 O ATOM 0 H SER A 6 8.454 -2.689 -5.767 1.00 73.33 H new ATOM 0 HA SER A 6 8.522 -1.668 -8.344 1.00 24.33 H new ATOM 0 HB2 SER A 6 10.114 -3.303 -6.672 1.00 40.10 H new ATOM 0 HB3 SER A 6 9.837 -4.269 -8.109 1.00 40.10 H new ATOM 0 HG SER A 6 11.685 -2.886 -8.323 1.00 65.40 H new ATOM 74 N ARG A 7 6.801 -4.412 -8.090 1.00 51.34 N ATOM 75 CA ARG A 7 5.920 -5.329 -8.804 1.00 61.30 C ATOM 76 C ARG A 7 4.674 -4.606 -9.305 1.00 60.15 C ATOM 77 O ARG A 7 4.478 -4.448 -10.511 1.00 22.33 O ATOM 78 CB ARG A 7 5.518 -6.494 -7.899 1.00 11.12 C ATOM 79 CG ARG A 7 6.618 -7.526 -7.709 1.00 50.03 C ATOM 80 CD ARG A 7 6.618 -8.086 -6.295 1.00 62.23 C ATOM 81 NE ARG A 7 7.816 -8.875 -6.020 1.00 55.13 N ATOM 82 CZ ARG A 7 9.009 -8.342 -5.786 1.00 30.43 C ATOM 83 NH1 ARG A 7 9.164 -7.025 -5.793 1.00 23.52 N ATOM 84 NH2 ARG A 7 10.052 -9.127 -5.543 1.00 24.10 N ATOM 0 H ARG A 7 6.771 -4.503 -7.075 1.00 51.34 H new ATOM 0 HA ARG A 7 6.464 -5.719 -9.665 1.00 61.30 H new ATOM 0 HB2 ARG A 7 5.227 -6.102 -6.924 1.00 11.12 H new ATOM 0 HB3 ARG A 7 4.640 -6.984 -8.320 1.00 11.12 H new ATOM 0 HG2 ARG A 7 6.484 -8.338 -8.423 1.00 50.03 H new ATOM 0 HG3 ARG A 7 7.586 -7.071 -7.922 1.00 50.03 H new ATOM 0 HD2 ARG A 7 6.552 -7.266 -5.580 1.00 62.23 H new ATOM 0 HD3 ARG A 7 5.734 -8.707 -6.151 1.00 62.23 H new ATOM 0 HE ARG A 7 7.731 -9.891 -6.007 1.00 55.13 H new ATOM 0 HH11 ARG A 7 8.365 -6.418 -5.979 1.00 23.52 H new ATOM 0 HH12 ARG A 7 10.082 -6.619 -5.613 1.00 23.52 H new ATOM 0 HH21 ARG A 7 9.937 -10.140 -5.536 1.00 24.10 H new ATOM 0 HH22 ARG A 7 10.968 -8.717 -5.363 1.00 24.10 H new ATOM 98 N ASP A 8 3.834 -4.171 -8.373 1.00 11.20 N ATOM 99 CA ASP A 8 2.606 -3.464 -8.719 1.00 63.23 C ATOM 100 C ASP A 8 2.906 -2.249 -9.592 1.00 21.14 C ATOM 101 O ASP A 8 2.058 -1.802 -10.365 1.00 74.42 O ATOM 102 CB ASP A 8 1.868 -3.028 -7.453 1.00 22.32 C ATOM 103 CG ASP A 8 1.001 -4.131 -6.880 1.00 14.15 C ATOM 104 OD1 ASP A 8 1.529 -5.237 -6.636 1.00 4.12 O ATOM 105 OD2 ASP A 8 -0.207 -3.889 -6.673 1.00 65.30 O ATOM 0 H ASP A 8 3.981 -4.295 -7.371 1.00 11.20 H new ATOM 0 HA ASP A 8 1.970 -4.147 -9.283 1.00 63.23 H new ATOM 0 HB2 ASP A 8 2.594 -2.714 -6.703 1.00 22.32 H new ATOM 0 HB3 ASP A 8 1.247 -2.161 -7.678 1.00 22.32 H new ATOM 110 N TRP A 9 4.117 -1.719 -9.462 1.00 4.23 N ATOM 111 CA TRP A 9 4.528 -0.554 -10.238 1.00 22.20 C ATOM 112 C TRP A 9 4.788 -0.933 -11.693 1.00 15.22 C ATOM 113 O TRP A 9 4.082 -0.487 -12.596 1.00 44.21 O ATOM 114 CB TRP A 9 5.784 0.073 -9.630 1.00 15.51 C ATOM 115 CG TRP A 9 6.375 1.160 -10.475 1.00 60.34 C ATOM 116 CD1 TRP A 9 7.683 1.292 -10.845 1.00 55.05 C ATOM 117 CD2 TRP A 9 5.678 2.269 -11.055 1.00 32.43 C ATOM 118 NE1 TRP A 9 7.843 2.415 -11.619 1.00 42.33 N ATOM 119 CE2 TRP A 9 6.627 3.032 -11.764 1.00 33.45 C ATOM 120 CE3 TRP A 9 4.346 2.690 -11.046 1.00 63.44 C ATOM 121 CZ2 TRP A 9 6.284 4.191 -12.454 1.00 60.43 C ATOM 122 CZ3 TRP A 9 4.007 3.841 -11.732 1.00 32.41 C ATOM 123 CH2 TRP A 9 4.972 4.580 -12.428 1.00 21.43 C ATOM 0 H TRP A 9 4.831 -2.077 -8.827 1.00 4.23 H new ATOM 0 HA TRP A 9 3.717 0.174 -10.210 1.00 22.20 H new ATOM 0 HB2 TRP A 9 5.540 0.478 -8.648 1.00 15.51 H new ATOM 0 HB3 TRP A 9 6.532 -0.705 -9.477 1.00 15.51 H new ATOM 0 HD1 TRP A 9 8.476 0.612 -10.569 1.00 55.05 H new ATOM 0 HE1 TRP A 9 8.723 2.738 -12.021 1.00 42.33 H new ATOM 0 HE3 TRP A 9 3.595 2.126 -10.513 1.00 63.44 H new ATOM 0 HZ2 TRP A 9 7.026 4.763 -12.991 1.00 60.43 H new ATOM 0 HZ3 TRP A 9 2.980 4.176 -11.731 1.00 32.41 H new ATOM 0 HH2 TRP A 9 4.675 5.475 -12.955 1.00 21.43 H new ATOM 134 N LYS A 10 5.806 -1.759 -11.911 1.00 41.15 N ATOM 135 CA LYS A 10 6.158 -2.199 -13.256 1.00 72.14 C ATOM 136 C LYS A 10 5.007 -2.969 -13.896 1.00 44.32 C ATOM 137 O LYS A 10 4.929 -3.084 -15.119 1.00 1.14 O ATOM 138 CB LYS A 10 7.411 -3.078 -13.215 1.00 4.10 C ATOM 139 CG LYS A 10 8.677 -2.315 -12.864 1.00 43.01 C ATOM 140 CD LYS A 10 9.169 -1.483 -14.036 1.00 71.32 C ATOM 141 CE LYS A 10 10.500 -0.815 -13.725 1.00 5.50 C ATOM 142 NZ LYS A 10 11.204 -0.378 -14.964 1.00 14.51 N ATOM 0 H LYS A 10 6.401 -2.137 -11.174 1.00 41.15 H new ATOM 0 HA LYS A 10 6.360 -1.314 -13.859 1.00 72.14 H new ATOM 0 HB2 LYS A 10 7.263 -3.874 -12.486 1.00 4.10 H new ATOM 0 HB3 LYS A 10 7.542 -3.556 -14.186 1.00 4.10 H new ATOM 0 HG2 LYS A 10 8.486 -1.665 -12.010 1.00 43.01 H new ATOM 0 HG3 LYS A 10 9.455 -3.017 -12.563 1.00 43.01 H new ATOM 0 HD2 LYS A 10 9.276 -2.118 -14.915 1.00 71.32 H new ATOM 0 HD3 LYS A 10 8.427 -0.723 -14.281 1.00 71.32 H new ATOM 0 HE2 LYS A 10 10.332 0.047 -13.080 1.00 5.50 H new ATOM 0 HE3 LYS A 10 11.134 -1.508 -13.172 1.00 5.50 H new ATOM 0 HZ1 LYS A 10 12.106 0.072 -14.710 1.00 14.51 H new ATOM 0 HZ2 LYS A 10 11.387 -1.204 -15.569 1.00 14.51 H new ATOM 0 HZ3 LYS A 10 10.610 0.303 -15.479 1.00 14.51 H new ATOM 156 N MET A 11 4.114 -3.491 -13.062 1.00 13.32 N ATOM 157 CA MET A 11 2.965 -4.247 -13.547 1.00 30.25 C ATOM 158 C MET A 11 1.839 -3.310 -13.972 1.00 74.43 C ATOM 159 O MET A 11 1.429 -3.303 -15.132 1.00 71.51 O ATOM 160 CB MET A 11 2.465 -5.207 -12.466 1.00 72.10 C ATOM 161 CG MET A 11 3.344 -6.436 -12.292 1.00 1.24 C ATOM 162 SD MET A 11 3.032 -7.696 -13.543 1.00 3.24 S ATOM 163 CE MET A 11 4.647 -8.461 -13.661 1.00 24.55 C ATOM 0 H MET A 11 4.164 -3.404 -12.047 1.00 13.32 H new ATOM 0 HA MET A 11 3.282 -4.824 -14.416 1.00 30.25 H new ATOM 0 HB2 MET A 11 2.407 -4.674 -11.517 1.00 72.10 H new ATOM 0 HB3 MET A 11 1.453 -5.526 -12.715 1.00 72.10 H new ATOM 0 HG2 MET A 11 4.391 -6.138 -12.336 1.00 1.24 H new ATOM 0 HG3 MET A 11 3.175 -6.862 -11.303 1.00 1.24 H new ATOM 0 HE1 MET A 11 4.616 -9.264 -14.398 1.00 24.55 H new ATOM 0 HE2 MET A 11 5.381 -7.716 -13.966 1.00 24.55 H new ATOM 0 HE3 MET A 11 4.928 -8.870 -12.690 1.00 24.55 H new ATOM 173 N ALA A 12 1.342 -2.522 -13.025 1.00 2.01 N ATOM 174 CA ALA A 12 0.265 -1.580 -13.302 1.00 11.43 C ATOM 175 C ALA A 12 0.597 -0.704 -14.504 1.00 3.14 C ATOM 176 O ALA A 12 -0.291 -0.302 -15.257 1.00 74.15 O ATOM 177 CB ALA A 12 -0.011 -0.718 -12.079 1.00 14.52 C ATOM 0 H ALA A 12 1.668 -2.517 -12.059 1.00 2.01 H new ATOM 0 HA ALA A 12 -0.632 -2.152 -13.539 1.00 11.43 H new ATOM 0 HB1 ALA A 12 -0.818 -0.019 -12.301 1.00 14.52 H new ATOM 0 HB2 ALA A 12 -0.302 -1.355 -11.243 1.00 14.52 H new ATOM 0 HB3 ALA A 12 0.889 -0.162 -11.815 1.00 14.52 H new ATOM 183 N ILE A 13 1.881 -0.408 -14.679 1.00 51.25 N ATOM 184 CA ILE A 13 2.330 0.421 -15.791 1.00 33.11 C ATOM 185 C ILE A 13 2.407 -0.386 -17.082 1.00 1.31 C ATOM 186 O ILE A 13 1.717 -0.085 -18.057 1.00 71.11 O ATOM 187 CB ILE A 13 3.709 1.046 -15.506 1.00 74.34 C ATOM 188 CG1 ILE A 13 3.619 2.019 -14.328 1.00 64.35 C ATOM 189 CG2 ILE A 13 4.236 1.752 -16.745 1.00 64.44 C ATOM 190 CD1 ILE A 13 2.807 3.259 -14.631 1.00 23.12 C ATOM 0 H ILE A 13 2.629 -0.730 -14.065 1.00 51.25 H new ATOM 0 HA ILE A 13 1.596 1.218 -15.907 1.00 33.11 H new ATOM 0 HB ILE A 13 4.405 0.250 -15.242 1.00 74.34 H new ATOM 0 HG12 ILE A 13 3.177 1.504 -13.475 1.00 64.35 H new ATOM 0 HG13 ILE A 13 4.626 2.316 -14.035 1.00 64.35 H new ATOM 0 HG21 ILE A 13 5.211 2.189 -16.528 1.00 64.44 H new ATOM 0 HG22 ILE A 13 4.333 1.034 -17.559 1.00 64.44 H new ATOM 0 HG23 ILE A 13 3.542 2.540 -17.037 1.00 64.44 H new ATOM 0 HD11 ILE A 13 2.785 3.904 -13.752 1.00 23.12 H new ATOM 0 HD12 ILE A 13 3.260 3.796 -15.464 1.00 23.12 H new ATOM 0 HD13 ILE A 13 1.789 2.972 -14.895 1.00 23.12 H new ATOM 202 N LYS A 14 3.249 -1.414 -17.082 1.00 43.33 N ATOM 203 CA LYS A 14 3.414 -2.268 -18.252 1.00 53.12 C ATOM 204 C LYS A 14 2.065 -2.773 -18.752 1.00 45.14 C ATOM 205 O LYS A 14 1.886 -3.014 -19.947 1.00 33.14 O ATOM 206 CB LYS A 14 4.323 -3.453 -17.919 1.00 53.34 C ATOM 207 CG LYS A 14 4.726 -4.271 -19.134 1.00 63.54 C ATOM 208 CD LYS A 14 6.082 -4.928 -18.939 1.00 54.24 C ATOM 209 CE LYS A 14 5.943 -6.343 -18.397 1.00 41.03 C ATOM 210 NZ LYS A 14 6.366 -7.364 -19.397 1.00 11.43 N ATOM 0 H LYS A 14 3.828 -1.676 -16.284 1.00 43.33 H new ATOM 0 HA LYS A 14 3.875 -1.675 -19.042 1.00 53.12 H new ATOM 0 HB2 LYS A 14 5.222 -3.083 -17.426 1.00 53.34 H new ATOM 0 HB3 LYS A 14 3.813 -4.102 -17.207 1.00 53.34 H new ATOM 0 HG2 LYS A 14 3.974 -5.037 -19.324 1.00 63.54 H new ATOM 0 HG3 LYS A 14 4.755 -3.628 -20.013 1.00 63.54 H new ATOM 0 HD2 LYS A 14 6.616 -4.952 -19.889 1.00 54.24 H new ATOM 0 HD3 LYS A 14 6.681 -4.331 -18.251 1.00 54.24 H new ATOM 0 HE2 LYS A 14 6.545 -6.447 -17.495 1.00 41.03 H new ATOM 0 HE3 LYS A 14 4.907 -6.522 -18.111 1.00 41.03 H new ATOM 0 HZ1 LYS A 14 6.256 -8.315 -18.990 1.00 11.43 H new ATOM 0 HZ2 LYS A 14 5.775 -7.282 -20.249 1.00 11.43 H new ATOM 0 HZ3 LYS A 14 7.362 -7.209 -19.651 1.00 11.43 H new ATOM 224 N ARG A 15 1.118 -2.928 -17.833 1.00 42.24 N ATOM 225 CA ARG A 15 -0.216 -3.404 -18.182 1.00 24.45 C ATOM 226 C ARG A 15 -1.087 -2.257 -18.684 1.00 43.32 C ATOM 227 O ARG A 15 -1.848 -2.414 -19.640 1.00 53.24 O ATOM 228 CB ARG A 15 -0.875 -4.069 -16.974 1.00 52.12 C ATOM 229 CG ARG A 15 -0.380 -5.483 -16.711 1.00 10.51 C ATOM 230 CD ARG A 15 -0.979 -6.474 -17.696 1.00 14.41 C ATOM 231 NE ARG A 15 -0.117 -7.637 -17.893 1.00 2.51 N ATOM 232 CZ ARG A 15 0.002 -8.622 -17.009 1.00 64.25 C ATOM 233 NH1 ARG A 15 -0.682 -8.584 -15.874 1.00 71.00 N ATOM 234 NH2 ARG A 15 0.806 -9.647 -17.261 1.00 13.13 N ATOM 0 H ARG A 15 1.249 -2.731 -16.841 1.00 42.24 H new ATOM 0 HA ARG A 15 -0.116 -4.138 -18.981 1.00 24.45 H new ATOM 0 HB2 ARG A 15 -0.692 -3.459 -16.089 1.00 52.12 H new ATOM 0 HB3 ARG A 15 -1.954 -4.093 -17.127 1.00 52.12 H new ATOM 0 HG2 ARG A 15 0.707 -5.508 -16.783 1.00 10.51 H new ATOM 0 HG3 ARG A 15 -0.639 -5.777 -15.694 1.00 10.51 H new ATOM 0 HD2 ARG A 15 -1.953 -6.802 -17.334 1.00 14.41 H new ATOM 0 HD3 ARG A 15 -1.145 -5.979 -18.653 1.00 14.41 H new ATOM 0 HE ARG A 15 0.423 -7.696 -18.756 1.00 2.51 H new ATOM 0 HH11 ARG A 15 -1.301 -7.798 -15.678 1.00 71.00 H new ATOM 0 HH12 ARG A 15 -0.589 -9.341 -15.197 1.00 71.00 H new ATOM 0 HH21 ARG A 15 1.333 -9.679 -18.134 1.00 13.13 H new ATOM 0 HH22 ARG A 15 0.897 -10.403 -16.582 1.00 13.13 H new ATOM 248 N CYS A 16 -0.972 -1.105 -18.034 1.00 4.24 N ATOM 249 CA CYS A 16 -1.750 0.069 -18.413 1.00 43.23 C ATOM 250 C CYS A 16 -1.375 0.542 -19.814 1.00 2.01 C ATOM 251 O CYS A 16 -2.190 1.137 -20.518 1.00 41.31 O ATOM 252 CB CYS A 16 -1.534 1.199 -17.405 1.00 33.01 C ATOM 253 SG CYS A 16 -2.312 2.763 -17.870 1.00 74.04 S ATOM 0 H CYS A 16 -0.347 -0.958 -17.241 1.00 4.24 H new ATOM 0 HA CYS A 16 -2.804 -0.210 -18.414 1.00 43.23 H new ATOM 0 HB2 CYS A 16 -1.923 0.886 -16.436 1.00 33.01 H new ATOM 0 HB3 CYS A 16 -0.463 1.361 -17.281 1.00 33.01 H new ATOM 0 HG CYS A 16 -2.584 2.751 -19.141 1.00 74.04 H new ATOM 259 N SER A 17 -0.135 0.273 -20.210 1.00 45.22 N ATOM 260 CA SER A 17 0.350 0.676 -21.525 1.00 24.42 C ATOM 261 C SER A 17 -0.549 0.128 -22.628 1.00 43.51 C ATOM 262 O SER A 17 -0.619 0.687 -23.723 1.00 15.31 O ATOM 263 CB SER A 17 1.787 0.188 -21.733 1.00 42.43 C ATOM 264 OG SER A 17 1.817 -1.200 -22.014 1.00 53.14 O ATOM 0 H SER A 17 0.551 -0.222 -19.640 1.00 45.22 H new ATOM 0 HA SER A 17 0.332 1.765 -21.574 1.00 24.42 H new ATOM 0 HB2 SER A 17 2.246 0.739 -22.554 1.00 42.43 H new ATOM 0 HB3 SER A 17 2.378 0.395 -20.841 1.00 42.43 H new ATOM 0 HG SER A 17 1.873 -1.703 -21.175 1.00 53.14 H new ATOM 270 N ASN A 18 -1.237 -0.970 -22.332 1.00 31.13 N ATOM 271 CA ASN A 18 -2.133 -1.595 -23.298 1.00 35.35 C ATOM 272 C ASN A 18 -3.172 -0.598 -23.801 1.00 33.12 C ATOM 273 O ASN A 18 -3.694 -0.734 -24.907 1.00 64.21 O ATOM 274 CB ASN A 18 -2.831 -2.803 -22.669 1.00 5.22 C ATOM 275 CG ASN A 18 -2.908 -3.984 -23.617 1.00 53.04 C ATOM 276 OD1 ASN A 18 -3.996 -4.428 -23.987 1.00 71.00 O ATOM 277 ND2 ASN A 18 -1.751 -4.499 -24.015 1.00 71.34 N ATOM 0 H ASN A 18 -1.191 -1.445 -21.431 1.00 31.13 H new ATOM 0 HA ASN A 18 -1.536 -1.929 -24.147 1.00 35.35 H new ATOM 0 HB2 ASN A 18 -2.296 -3.099 -21.767 1.00 5.22 H new ATOM 0 HB3 ASN A 18 -3.838 -2.519 -22.364 1.00 5.22 H new ATOM 0 HD21 ASN A 18 -1.740 -5.295 -24.653 1.00 71.34 H new ATOM 0 HD22 ASN A 18 -0.874 -4.099 -23.683 1.00 71.34 H new ATOM 284 N VAL A 19 -3.467 0.406 -22.980 1.00 64.01 N ATOM 285 CA VAL A 19 -4.441 1.428 -23.343 1.00 53.42 C ATOM 286 C VAL A 19 -4.016 2.170 -24.605 1.00 0.21 C ATOM 287 O VAL A 19 -2.835 2.451 -24.804 1.00 35.01 O ATOM 288 CB VAL A 19 -4.637 2.446 -22.203 1.00 62.02 C ATOM 289 CG1 VAL A 19 -4.998 1.735 -20.908 1.00 71.52 C ATOM 290 CG2 VAL A 19 -3.386 3.292 -22.026 1.00 1.44 C ATOM 0 H VAL A 19 -3.045 0.533 -22.060 1.00 64.01 H new ATOM 0 HA VAL A 19 -5.384 0.914 -23.528 1.00 53.42 H new ATOM 0 HB VAL A 19 -5.462 3.108 -22.467 1.00 62.02 H new ATOM 0 HG11 VAL A 19 -5.132 2.470 -20.115 1.00 71.52 H new ATOM 0 HG12 VAL A 19 -5.924 1.176 -21.046 1.00 71.52 H new ATOM 0 HG13 VAL A 19 -4.197 1.048 -20.634 1.00 71.52 H new ATOM 0 HG21 VAL A 19 -3.541 4.006 -21.217 1.00 1.44 H new ATOM 0 HG22 VAL A 19 -2.542 2.647 -21.784 1.00 1.44 H new ATOM 0 HG23 VAL A 19 -3.177 3.831 -22.950 1.00 1.44 H new ATOM 300 N ALA A 20 -4.989 2.485 -25.454 1.00 64.53 N ATOM 301 CA ALA A 20 -4.715 3.197 -26.697 1.00 43.33 C ATOM 302 C ALA A 20 -5.087 4.671 -26.579 1.00 14.25 C ATOM 303 O ALA A 20 -6.005 5.033 -25.841 1.00 31.53 O ATOM 304 CB ALA A 20 -5.469 2.553 -27.851 1.00 61.22 C ATOM 0 H ALA A 20 -5.972 2.259 -25.304 1.00 64.53 H new ATOM 0 HA ALA A 20 -3.645 3.133 -26.895 1.00 43.33 H new ATOM 0 HB1 ALA A 20 -5.255 3.095 -28.773 1.00 61.22 H new ATOM 0 HB2 ALA A 20 -5.153 1.515 -27.958 1.00 61.22 H new ATOM 0 HB3 ALA A 20 -6.540 2.587 -27.650 1.00 61.22 H new ATOM 310 N VAL A 21 -4.368 5.518 -27.307 1.00 2.33 N ATOM 311 CA VAL A 21 -4.622 6.954 -27.283 1.00 10.20 C ATOM 312 C VAL A 21 -5.604 7.356 -28.378 1.00 4.22 C ATOM 313 O VAL A 21 -6.348 8.327 -28.234 1.00 74.11 O ATOM 314 CB VAL A 21 -3.320 7.758 -27.456 1.00 34.12 C ATOM 315 CG1 VAL A 21 -2.314 7.384 -26.377 1.00 70.13 C ATOM 316 CG2 VAL A 21 -2.735 7.533 -28.842 1.00 4.32 C ATOM 0 H VAL A 21 -3.604 5.235 -27.921 1.00 2.33 H new ATOM 0 HA VAL A 21 -5.054 7.183 -26.309 1.00 10.20 H new ATOM 0 HB VAL A 21 -3.552 8.818 -27.352 1.00 34.12 H new ATOM 0 HG11 VAL A 21 -1.400 7.962 -26.515 1.00 70.13 H new ATOM 0 HG12 VAL A 21 -2.736 7.601 -25.396 1.00 70.13 H new ATOM 0 HG13 VAL A 21 -2.085 6.321 -26.446 1.00 70.13 H new ATOM 0 HG21 VAL A 21 -1.815 8.109 -28.947 1.00 4.32 H new ATOM 0 HG22 VAL A 21 -2.517 6.474 -28.977 1.00 4.32 H new ATOM 0 HG23 VAL A 21 -3.453 7.855 -29.597 1.00 4.32 H new ATOM 396 N LYS A 28 -0.013 3.646 -31.104 1.00 71.30 N ATOM 397 CA LYS A 28 -1.033 4.505 -30.515 1.00 22.33 C ATOM 398 C LYS A 28 -1.385 4.042 -29.105 1.00 11.14 C ATOM 399 O LYS A 28 -2.560 3.939 -28.750 1.00 20.43 O ATOM 400 CB LYS A 28 -2.289 4.513 -31.389 1.00 62.10 C ATOM 401 CG LYS A 28 -2.600 3.167 -32.020 1.00 32.02 C ATOM 402 CD LYS A 28 -2.893 2.113 -30.966 1.00 53.23 C ATOM 403 CE LYS A 28 -3.368 0.812 -31.596 1.00 51.32 C ATOM 404 NZ LYS A 28 -2.648 -0.368 -31.041 1.00 65.42 N ATOM 0 HA LYS A 28 -0.632 5.517 -30.457 1.00 22.33 H new ATOM 0 HB2 LYS A 28 -3.140 4.827 -30.784 1.00 62.10 H new ATOM 0 HB3 LYS A 28 -2.168 5.255 -32.178 1.00 62.10 H new ATOM 0 HG2 LYS A 28 -3.457 3.265 -32.686 1.00 32.02 H new ATOM 0 HG3 LYS A 28 -1.756 2.847 -32.632 1.00 32.02 H new ATOM 0 HD2 LYS A 28 -1.995 1.927 -30.377 1.00 53.23 H new ATOM 0 HD3 LYS A 28 -3.653 2.485 -30.279 1.00 53.23 H new ATOM 0 HE2 LYS A 28 -4.439 0.696 -31.427 1.00 51.32 H new ATOM 0 HE3 LYS A 28 -3.218 0.855 -32.675 1.00 51.32 H new ATOM 0 HZ1 LYS A 28 -3.000 -1.235 -31.495 1.00 65.42 H new ATOM 0 HZ2 LYS A 28 -1.629 -0.270 -31.224 1.00 65.42 H new ATOM 0 HZ3 LYS A 28 -2.812 -0.424 -30.015 1.00 65.42 H new ATOM 418 N LYS A 29 -0.361 3.766 -28.304 1.00 60.15 N ATOM 419 CA LYS A 29 -0.563 3.317 -26.932 1.00 35.42 C ATOM 420 C LYS A 29 0.161 4.232 -25.948 1.00 62.33 C ATOM 421 O LYS A 29 1.060 4.981 -26.330 1.00 11.32 O ATOM 422 CB LYS A 29 -0.066 1.879 -26.766 1.00 61.22 C ATOM 423 CG LYS A 29 1.291 1.626 -27.403 1.00 55.32 C ATOM 424 CD LYS A 29 1.896 0.317 -26.924 1.00 64.41 C ATOM 425 CE LYS A 29 1.427 -0.856 -27.771 1.00 41.53 C ATOM 426 NZ LYS A 29 2.570 -1.607 -28.361 1.00 53.02 N ATOM 0 H LYS A 29 0.617 3.846 -28.582 1.00 60.15 H new ATOM 0 HA LYS A 29 -1.631 3.354 -26.718 1.00 35.42 H new ATOM 0 HB2 LYS A 29 -0.009 1.644 -25.703 1.00 61.22 H new ATOM 0 HB3 LYS A 29 -0.796 1.198 -27.204 1.00 61.22 H new ATOM 0 HG2 LYS A 29 1.186 1.604 -28.488 1.00 55.32 H new ATOM 0 HG3 LYS A 29 1.965 2.449 -27.164 1.00 55.32 H new ATOM 0 HD2 LYS A 29 2.983 0.382 -26.961 1.00 64.41 H new ATOM 0 HD3 LYS A 29 1.622 0.148 -25.883 1.00 64.41 H new ATOM 0 HE2 LYS A 29 0.828 -1.529 -27.158 1.00 41.53 H new ATOM 0 HE3 LYS A 29 0.781 -0.492 -28.570 1.00 41.53 H new ATOM 0 HZ1 LYS A 29 2.208 -2.398 -28.931 1.00 53.02 H new ATOM 0 HZ2 LYS A 29 3.128 -0.971 -28.966 1.00 53.02 H new ATOM 0 HZ3 LYS A 29 3.173 -1.977 -27.599 1.00 53.02 H new ATOM 440 N PHE A 30 -0.237 4.164 -24.683 1.00 32.34 N ATOM 441 CA PHE A 30 0.374 4.986 -23.644 1.00 63.20 C ATOM 442 C PHE A 30 1.877 4.731 -23.562 1.00 44.41 C ATOM 443 O PHE A 30 2.426 3.941 -24.329 1.00 65.40 O ATOM 444 CB PHE A 30 -0.277 4.701 -22.290 1.00 3.32 C ATOM 445 CG PHE A 30 -1.193 5.797 -21.823 1.00 61.11 C ATOM 446 CD1 PHE A 30 -2.112 6.366 -22.690 1.00 44.05 C ATOM 447 CD2 PHE A 30 -1.134 6.259 -20.519 1.00 52.32 C ATOM 448 CE1 PHE A 30 -2.957 7.374 -22.265 1.00 13.22 C ATOM 449 CE2 PHE A 30 -1.976 7.266 -20.086 1.00 45.14 C ATOM 450 CZ PHE A 30 -2.888 7.825 -20.961 1.00 44.11 C ATOM 0 H PHE A 30 -0.980 3.549 -24.352 1.00 32.34 H new ATOM 0 HA PHE A 30 0.214 6.033 -23.903 1.00 63.20 H new ATOM 0 HB2 PHE A 30 -0.841 3.770 -22.355 1.00 3.32 H new ATOM 0 HB3 PHE A 30 0.504 4.549 -21.545 1.00 3.32 H new ATOM 0 HD1 PHE A 30 -2.169 6.018 -23.711 1.00 44.05 H new ATOM 0 HD2 PHE A 30 -0.421 5.827 -19.832 1.00 52.32 H new ATOM 0 HE1 PHE A 30 -3.670 7.808 -22.951 1.00 13.22 H new ATOM 0 HE2 PHE A 30 -1.921 7.615 -19.066 1.00 45.14 H new ATOM 0 HZ PHE A 30 -3.546 8.613 -20.626 1.00 44.11 H new ATOM 460 N GLY A 31 2.535 5.407 -22.626 1.00 63.51 N ATOM 461 CA GLY A 31 3.968 5.242 -22.461 1.00 54.24 C ATOM 462 C GLY A 31 4.439 5.628 -21.073 1.00 23.11 C ATOM 463 O GLY A 31 3.639 6.026 -20.228 1.00 41.22 O ATOM 0 H GLY A 31 2.102 6.066 -21.979 1.00 63.51 H new ATOM 0 HA2 GLY A 31 4.236 4.204 -22.657 1.00 54.24 H new ATOM 0 HA3 GLY A 31 4.488 5.851 -23.200 1.00 54.24 H new ATOM 467 N GLU A 32 5.743 5.509 -20.839 1.00 12.32 N ATOM 468 CA GLU A 32 6.318 5.847 -19.542 1.00 23.14 C ATOM 469 C GLU A 32 6.141 7.333 -19.239 1.00 73.34 C ATOM 470 O GLU A 32 5.583 7.705 -18.208 1.00 50.31 O ATOM 471 CB GLU A 32 7.803 5.482 -19.508 1.00 23.42 C ATOM 472 CG GLU A 32 8.125 4.324 -18.578 1.00 45.44 C ATOM 473 CD GLU A 32 9.070 3.318 -19.206 1.00 74.22 C ATOM 474 OE1 GLU A 32 10.046 3.746 -19.856 1.00 11.42 O ATOM 475 OE2 GLU A 32 8.834 2.102 -19.046 1.00 65.33 O ATOM 0 H GLU A 32 6.419 5.182 -21.529 1.00 12.32 H new ATOM 0 HA GLU A 32 5.792 5.273 -18.779 1.00 23.14 H new ATOM 0 HB2 GLU A 32 8.129 5.228 -20.517 1.00 23.42 H new ATOM 0 HB3 GLU A 32 8.376 6.356 -19.198 1.00 23.42 H new ATOM 0 HG2 GLU A 32 8.570 4.712 -17.661 1.00 45.44 H new ATOM 0 HG3 GLU A 32 7.200 3.821 -18.296 1.00 45.44 H new ATOM 482 N GLY A 33 6.623 8.178 -20.146 1.00 35.42 N ATOM 483 CA GLY A 33 6.509 9.612 -19.958 1.00 11.32 C ATOM 484 C GLY A 33 5.069 10.084 -19.954 1.00 2.41 C ATOM 485 O GLY A 33 4.731 11.060 -19.285 1.00 40.43 O ATOM 0 H GLY A 33 7.090 7.895 -21.007 1.00 35.42 H new ATOM 0 HA2 GLY A 33 6.982 9.890 -19.016 1.00 11.32 H new ATOM 0 HA3 GLY A 33 7.054 10.124 -20.752 1.00 11.32 H new ATOM 489 N ASN A 34 4.218 9.390 -20.703 1.00 22.20 N ATOM 490 CA ASN A 34 2.806 9.746 -20.786 1.00 21.53 C ATOM 491 C ASN A 34 2.143 9.658 -19.415 1.00 3.40 C ATOM 492 O ASN A 34 1.545 10.625 -18.940 1.00 53.24 O ATOM 493 CB ASN A 34 2.085 8.827 -21.773 1.00 53.04 C ATOM 494 CG ASN A 34 1.508 9.585 -22.953 1.00 44.11 C ATOM 495 OD1 ASN A 34 2.101 9.621 -24.031 1.00 5.10 O ATOM 496 ND2 ASN A 34 0.346 10.197 -22.753 1.00 32.25 N ATOM 0 H ASN A 34 4.482 8.578 -21.261 1.00 22.20 H new ATOM 0 HA ASN A 34 2.735 10.775 -21.140 1.00 21.53 H new ATOM 0 HB2 ASN A 34 2.781 8.071 -22.136 1.00 53.04 H new ATOM 0 HB3 ASN A 34 1.283 8.300 -21.256 1.00 53.04 H new ATOM 0 HD21 ASN A 34 -0.090 10.724 -23.510 1.00 32.25 H new ATOM 0 HD22 ASN A 34 -0.110 10.140 -21.842 1.00 32.25 H new ATOM 503 N PHE A 35 2.253 8.495 -18.783 1.00 33.24 N ATOM 504 CA PHE A 35 1.664 8.280 -17.466 1.00 2.35 C ATOM 505 C PHE A 35 2.392 9.099 -16.405 1.00 2.15 C ATOM 506 O PHE A 35 1.806 9.487 -15.394 1.00 44.11 O ATOM 507 CB PHE A 35 1.708 6.796 -17.100 1.00 54.14 C ATOM 508 CG PHE A 35 1.349 6.520 -15.668 1.00 3.23 C ATOM 509 CD1 PHE A 35 0.024 6.370 -15.288 1.00 22.44 C ATOM 510 CD2 PHE A 35 2.335 6.414 -14.701 1.00 14.01 C ATOM 511 CE1 PHE A 35 -0.309 6.117 -13.970 1.00 63.23 C ATOM 512 CE2 PHE A 35 2.007 6.160 -13.382 1.00 21.34 C ATOM 513 CZ PHE A 35 0.684 6.013 -13.016 1.00 71.42 C ATOM 0 H PHE A 35 2.745 7.686 -19.162 1.00 33.24 H new ATOM 0 HA PHE A 35 0.625 8.607 -17.503 1.00 2.35 H new ATOM 0 HB2 PHE A 35 1.024 6.250 -17.749 1.00 54.14 H new ATOM 0 HB3 PHE A 35 2.709 6.411 -17.296 1.00 54.14 H new ATOM 0 HD1 PHE A 35 -0.757 6.452 -16.030 1.00 22.44 H new ATOM 0 HD2 PHE A 35 3.372 6.531 -14.980 1.00 14.01 H new ATOM 0 HE1 PHE A 35 -1.345 6.001 -13.687 1.00 63.23 H new ATOM 0 HE2 PHE A 35 2.786 6.077 -12.638 1.00 21.34 H new ATOM 0 HZ PHE A 35 0.426 5.817 -11.986 1.00 71.42 H new ATOM 523 N ARG A 36 3.675 9.358 -16.642 1.00 12.51 N ATOM 524 CA ARG A 36 4.485 10.128 -15.706 1.00 44.42 C ATOM 525 C ARG A 36 3.880 11.511 -15.474 1.00 52.23 C ATOM 526 O ARG A 36 3.696 11.935 -14.334 1.00 10.11 O ATOM 527 CB ARG A 36 5.915 10.267 -16.230 1.00 51.42 C ATOM 528 CG ARG A 36 6.959 9.635 -15.324 1.00 44.51 C ATOM 529 CD ARG A 36 8.362 9.810 -15.885 1.00 43.33 C ATOM 530 NE ARG A 36 9.389 9.581 -14.873 1.00 53.31 N ATOM 531 CZ ARG A 36 9.757 8.374 -14.459 1.00 15.01 C ATOM 532 NH1 ARG A 36 9.185 7.292 -14.969 1.00 32.35 N ATOM 533 NH2 ARG A 36 10.699 8.247 -13.534 1.00 13.44 N ATOM 0 H ARG A 36 4.175 9.046 -17.474 1.00 12.51 H new ATOM 0 HA ARG A 36 4.504 9.594 -14.756 1.00 44.42 H new ATOM 0 HB2 ARG A 36 5.977 9.809 -17.217 1.00 51.42 H new ATOM 0 HB3 ARG A 36 6.146 11.325 -16.354 1.00 51.42 H new ATOM 0 HG2 ARG A 36 6.903 10.086 -14.333 1.00 44.51 H new ATOM 0 HG3 ARG A 36 6.744 8.573 -15.204 1.00 44.51 H new ATOM 0 HD2 ARG A 36 8.510 9.118 -16.714 1.00 43.33 H new ATOM 0 HD3 ARG A 36 8.468 10.817 -16.288 1.00 43.33 H new ATOM 0 HE ARG A 36 9.849 10.393 -14.461 1.00 53.31 H new ATOM 0 HH11 ARG A 36 8.461 7.386 -15.681 1.00 32.35 H new ATOM 0 HH12 ARG A 36 9.469 6.366 -14.649 1.00 32.35 H new ATOM 0 HH21 ARG A 36 11.142 9.077 -13.140 1.00 13.44 H new ATOM 0 HH22 ARG A 36 10.981 7.319 -13.217 1.00 13.44 H new ATOM 547 N TRP A 37 3.574 12.207 -16.563 1.00 32.23 N ATOM 548 CA TRP A 37 2.991 13.541 -16.478 1.00 71.54 C ATOM 549 C TRP A 37 1.534 13.471 -16.036 1.00 41.21 C ATOM 550 O TRP A 37 1.054 14.341 -15.309 1.00 61.41 O ATOM 551 CB TRP A 37 3.093 14.251 -17.829 1.00 64.20 C ATOM 552 CG TRP A 37 2.245 15.483 -17.918 1.00 25.12 C ATOM 553 CD1 TRP A 37 2.651 16.774 -17.724 1.00 70.42 C ATOM 554 CD2 TRP A 37 0.847 15.543 -18.222 1.00 13.12 C ATOM 555 NE1 TRP A 37 1.590 17.630 -17.888 1.00 53.12 N ATOM 556 CE2 TRP A 37 0.472 16.901 -18.195 1.00 73.42 C ATOM 557 CE3 TRP A 37 -0.123 14.581 -18.515 1.00 3.40 C ATOM 558 CZ2 TRP A 37 -0.831 17.317 -18.449 1.00 51.33 C ATOM 559 CZ3 TRP A 37 -1.417 14.996 -18.768 1.00 12.53 C ATOM 560 CH2 TRP A 37 -1.762 16.354 -18.734 1.00 12.54 C ATOM 0 H TRP A 37 3.720 11.870 -17.515 1.00 32.23 H new ATOM 0 HA TRP A 37 3.550 14.108 -15.734 1.00 71.54 H new ATOM 0 HB2 TRP A 37 4.133 14.521 -18.012 1.00 64.20 H new ATOM 0 HB3 TRP A 37 2.800 13.559 -18.618 1.00 64.20 H new ATOM 0 HD1 TRP A 37 3.658 17.076 -17.478 1.00 70.42 H new ATOM 0 HE1 TRP A 37 1.628 18.645 -17.796 1.00 53.12 H new ATOM 0 HE3 TRP A 37 0.134 13.532 -18.543 1.00 3.40 H new ATOM 0 HZ2 TRP A 37 -1.099 18.363 -18.422 1.00 51.33 H new ATOM 0 HZ3 TRP A 37 -2.175 14.261 -18.996 1.00 12.53 H new ATOM 0 HH2 TRP A 37 -2.782 16.647 -18.936 1.00 12.54 H new ATOM 571 N ALA A 38 0.835 12.431 -16.478 1.00 51.21 N ATOM 572 CA ALA A 38 -0.567 12.248 -16.125 1.00 53.24 C ATOM 573 C ALA A 38 -0.734 12.046 -14.622 1.00 21.54 C ATOM 574 O ALA A 38 -1.470 12.784 -13.965 1.00 74.53 O ATOM 575 CB ALA A 38 -1.153 11.067 -16.885 1.00 12.32 C ATOM 0 H ALA A 38 1.217 11.702 -17.081 1.00 51.21 H new ATOM 0 HA ALA A 38 -1.107 13.152 -16.406 1.00 53.24 H new ATOM 0 HB1 ALA A 38 -2.201 10.942 -16.611 1.00 12.32 H new ATOM 0 HB2 ALA A 38 -1.077 11.250 -17.957 1.00 12.32 H new ATOM 0 HB3 ALA A 38 -0.601 10.162 -16.632 1.00 12.32 H new ATOM 581 N ILE A 39 -0.045 11.046 -14.085 1.00 34.42 N ATOM 582 CA ILE A 39 -0.116 10.749 -12.659 1.00 72.31 C ATOM 583 C ILE A 39 0.482 11.880 -11.831 1.00 4.42 C ATOM 584 O ILE A 39 0.048 12.138 -10.708 1.00 21.41 O ATOM 585 CB ILE A 39 0.616 9.437 -12.320 1.00 33.23 C ATOM 586 CG1 ILE A 39 0.312 9.015 -10.881 1.00 71.30 C ATOM 587 CG2 ILE A 39 2.116 9.599 -12.524 1.00 44.13 C ATOM 588 CD1 ILE A 39 -0.666 7.866 -10.783 1.00 54.21 C ATOM 0 H ILE A 39 0.569 10.427 -14.615 1.00 34.42 H new ATOM 0 HA ILE A 39 -1.172 10.641 -12.412 1.00 72.31 H new ATOM 0 HB ILE A 39 0.260 8.656 -12.991 1.00 33.23 H new ATOM 0 HG12 ILE A 39 1.243 8.732 -10.389 1.00 71.30 H new ATOM 0 HG13 ILE A 39 -0.089 9.870 -10.337 1.00 71.30 H new ATOM 0 HG21 ILE A 39 2.619 8.663 -12.280 1.00 44.13 H new ATOM 0 HG22 ILE A 39 2.316 9.859 -13.564 1.00 44.13 H new ATOM 0 HG23 ILE A 39 2.488 10.391 -11.874 1.00 44.13 H new ATOM 0 HD11 ILE A 39 -0.835 7.620 -9.735 1.00 54.21 H new ATOM 0 HD12 ILE A 39 -1.611 8.152 -11.245 1.00 54.21 H new ATOM 0 HD13 ILE A 39 -0.258 6.996 -11.298 1.00 54.21 H new ATOM 600 N ARG A 40 1.479 12.554 -12.394 1.00 4.45 N ATOM 601 CA ARG A 40 2.137 13.661 -11.708 1.00 64.13 C ATOM 602 C ARG A 40 1.166 14.816 -11.483 1.00 44.34 C ATOM 603 O ARG A 40 0.940 15.238 -10.350 1.00 21.13 O ATOM 604 CB ARG A 40 3.343 14.145 -12.516 1.00 13.12 C ATOM 605 CG ARG A 40 4.000 15.390 -11.943 1.00 13.43 C ATOM 606 CD ARG A 40 5.514 15.329 -12.070 1.00 5.41 C ATOM 607 NE ARG A 40 5.941 15.189 -13.459 1.00 74.13 N ATOM 608 CZ ARG A 40 5.853 16.163 -14.358 1.00 34.03 C ATOM 609 NH1 ARG A 40 5.357 17.343 -14.015 1.00 54.10 N ATOM 610 NH2 ARG A 40 6.263 15.957 -15.603 1.00 61.23 N ATOM 0 H ARG A 40 1.849 12.354 -13.323 1.00 4.45 H new ATOM 0 HA ARG A 40 2.479 13.302 -10.737 1.00 64.13 H new ATOM 0 HB2 ARG A 40 4.081 13.345 -12.565 1.00 13.12 H new ATOM 0 HB3 ARG A 40 3.026 14.350 -13.539 1.00 13.12 H new ATOM 0 HG2 ARG A 40 3.625 16.272 -12.462 1.00 13.43 H new ATOM 0 HG3 ARG A 40 3.726 15.497 -10.894 1.00 13.43 H new ATOM 0 HD2 ARG A 40 5.950 16.234 -11.646 1.00 5.41 H new ATOM 0 HD3 ARG A 40 5.893 14.489 -11.488 1.00 5.41 H new ATOM 0 HE ARG A 40 6.329 14.293 -13.756 1.00 74.13 H new ATOM 0 HH11 ARG A 40 5.042 17.505 -13.059 1.00 54.10 H new ATOM 0 HH12 ARG A 40 5.291 18.089 -14.707 1.00 54.10 H new ATOM 0 HH21 ARG A 40 6.646 15.050 -15.870 1.00 61.23 H new ATOM 0 HH22 ARG A 40 6.195 16.705 -16.293 1.00 61.23 H new ATOM 624 N MET A 41 0.594 15.322 -12.571 1.00 63.23 N ATOM 625 CA MET A 41 -0.354 16.428 -12.492 1.00 13.02 C ATOM 626 C MET A 41 -1.593 16.026 -11.698 1.00 52.11 C ATOM 627 O MET A 41 -2.208 16.855 -11.029 1.00 10.32 O ATOM 628 CB MET A 41 -0.758 16.883 -13.895 1.00 20.12 C ATOM 629 CG MET A 41 0.336 17.643 -14.626 1.00 64.52 C ATOM 630 SD MET A 41 -0.206 19.266 -15.194 1.00 22.21 S ATOM 631 CE MET A 41 1.186 20.280 -14.700 1.00 2.30 C ATOM 0 H MET A 41 0.770 14.984 -13.517 1.00 63.23 H new ATOM 0 HA MET A 41 0.133 17.256 -11.976 1.00 13.02 H new ATOM 0 HB2 MET A 41 -1.039 16.010 -14.484 1.00 20.12 H new ATOM 0 HB3 MET A 41 -1.642 17.516 -13.822 1.00 20.12 H new ATOM 0 HG2 MET A 41 1.194 17.762 -13.965 1.00 64.52 H new ATOM 0 HG3 MET A 41 0.671 17.056 -15.481 1.00 64.52 H new ATOM 0 HE1 MET A 41 1.000 21.316 -14.984 1.00 2.30 H new ATOM 0 HE2 MET A 41 1.316 20.218 -13.620 1.00 2.30 H new ATOM 0 HE3 MET A 41 2.089 19.924 -15.196 1.00 2.30 H new ATOM 641 N ALA A 42 -1.952 14.749 -11.778 1.00 45.55 N ATOM 642 CA ALA A 42 -3.117 14.238 -11.066 1.00 1.32 C ATOM 643 C ALA A 42 -2.965 14.423 -9.560 1.00 41.41 C ATOM 644 O ALA A 42 -3.876 14.906 -8.889 1.00 43.14 O ATOM 645 CB ALA A 42 -3.338 12.770 -11.399 1.00 64.23 C ATOM 0 H ALA A 42 -1.453 14.050 -12.328 1.00 45.55 H new ATOM 0 HA ALA A 42 -3.988 14.808 -11.390 1.00 1.32 H new ATOM 0 HB1 ALA A 42 -4.211 12.402 -10.860 1.00 64.23 H new ATOM 0 HB2 ALA A 42 -3.501 12.661 -12.471 1.00 64.23 H new ATOM 0 HB3 ALA A 42 -2.461 12.194 -11.104 1.00 64.23 H new ATOM 651 N ASN A 43 -1.807 14.036 -9.035 1.00 53.14 N ATOM 652 CA ASN A 43 -1.536 14.158 -7.608 1.00 10.43 C ATOM 653 C ASN A 43 -1.499 15.623 -7.185 1.00 13.35 C ATOM 654 O ASN A 43 -2.148 16.018 -6.215 1.00 61.45 O ATOM 655 CB ASN A 43 -0.208 13.481 -7.260 1.00 11.22 C ATOM 656 CG ASN A 43 -0.063 12.122 -7.914 1.00 53.24 C ATOM 657 OD1 ASN A 43 -1.049 11.415 -8.129 1.00 52.13 O ATOM 658 ND2 ASN A 43 1.169 11.747 -8.235 1.00 21.41 N ATOM 0 H ASN A 43 -1.041 13.635 -9.577 1.00 53.14 H new ATOM 0 HA ASN A 43 -2.342 13.662 -7.067 1.00 10.43 H new ATOM 0 HB2 ASN A 43 0.616 14.122 -7.573 1.00 11.22 H new ATOM 0 HB3 ASN A 43 -0.132 13.370 -6.178 1.00 11.22 H new ATOM 0 HD21 ASN A 43 1.328 10.842 -8.678 1.00 21.41 H new ATOM 0 HD22 ASN A 43 1.957 12.364 -8.039 1.00 21.41 H new ATOM 665 N VAL A 44 -0.736 16.427 -7.918 1.00 61.53 N ATOM 666 CA VAL A 44 -0.615 17.849 -7.622 1.00 10.40 C ATOM 667 C VAL A 44 -1.974 18.539 -7.673 1.00 32.41 C ATOM 668 O VAL A 44 -2.315 19.327 -6.792 1.00 42.43 O ATOM 669 CB VAL A 44 0.341 18.549 -8.605 1.00 34.33 C ATOM 670 CG1 VAL A 44 0.432 20.035 -8.296 1.00 1.12 C ATOM 671 CG2 VAL A 44 1.717 17.901 -8.561 1.00 24.31 C ATOM 0 H VAL A 44 -0.191 16.117 -8.723 1.00 61.53 H new ATOM 0 HA VAL A 44 -0.208 17.928 -6.614 1.00 10.40 H new ATOM 0 HB VAL A 44 -0.057 18.437 -9.614 1.00 34.33 H new ATOM 0 HG11 VAL A 44 1.112 20.512 -9.001 1.00 1.12 H new ATOM 0 HG12 VAL A 44 -0.556 20.486 -8.383 1.00 1.12 H new ATOM 0 HG13 VAL A 44 0.806 20.173 -7.281 1.00 1.12 H new ATOM 0 HG21 VAL A 44 2.380 18.408 -9.262 1.00 24.31 H new ATOM 0 HG22 VAL A 44 2.125 17.981 -7.553 1.00 24.31 H new ATOM 0 HG23 VAL A 44 1.633 16.850 -8.836 1.00 24.31 H new ATOM 681 N SER A 45 -2.745 18.235 -8.712 1.00 43.22 N ATOM 682 CA SER A 45 -4.067 18.828 -8.881 1.00 11.21 C ATOM 683 C SER A 45 -4.934 18.583 -7.649 1.00 63.42 C ATOM 684 O SER A 45 -5.855 19.349 -7.361 1.00 70.24 O ATOM 685 CB SER A 45 -4.751 18.255 -10.123 1.00 54.14 C ATOM 686 OG SER A 45 -4.475 19.044 -11.267 1.00 45.12 O ATOM 0 H SER A 45 -2.478 17.582 -9.449 1.00 43.22 H new ATOM 0 HA SER A 45 -3.942 19.903 -9.008 1.00 11.21 H new ATOM 0 HB2 SER A 45 -4.410 17.233 -10.291 1.00 54.14 H new ATOM 0 HB3 SER A 45 -5.828 18.209 -9.960 1.00 54.14 H new ATOM 0 HG SER A 45 -4.922 18.656 -12.048 1.00 45.12 H new ATOM 692 N THR A 46 -4.634 17.509 -6.926 1.00 24.30 N ATOM 693 CA THR A 46 -5.385 17.161 -5.727 1.00 43.11 C ATOM 694 C THR A 46 -4.673 17.651 -4.471 1.00 55.42 C ATOM 695 O THR A 46 -5.295 17.835 -3.426 1.00 74.22 O ATOM 696 CB THR A 46 -5.600 15.639 -5.622 1.00 10.24 C ATOM 697 OG1 THR A 46 -4.515 14.947 -6.248 1.00 73.53 O ATOM 698 CG2 THR A 46 -6.913 15.232 -6.272 1.00 63.44 C ATOM 0 H THR A 46 -3.876 16.865 -7.150 1.00 24.30 H new ATOM 0 HA THR A 46 -6.354 17.653 -5.806 1.00 43.11 H new ATOM 0 HB THR A 46 -5.639 15.371 -4.566 1.00 10.24 H new ATOM 0 HG1 THR A 46 -3.669 15.228 -5.840 1.00 73.53 H new ATOM 0 HG21 THR A 46 -7.043 14.153 -6.185 1.00 63.44 H new ATOM 0 HG22 THR A 46 -7.739 15.738 -5.772 1.00 63.44 H new ATOM 0 HG23 THR A 46 -6.900 15.512 -7.325 1.00 63.44 H new ATOM 706 N GLY A 47 -3.365 17.861 -4.581 1.00 51.14 N ATOM 707 CA GLY A 47 -2.591 18.329 -3.446 1.00 72.35 C ATOM 708 C GLY A 47 -2.052 17.189 -2.603 1.00 40.22 C ATOM 709 O GLY A 47 -2.101 17.241 -1.375 1.00 13.32 O ATOM 0 H GLY A 47 -2.828 17.715 -5.436 1.00 51.14 H new ATOM 0 HA2 GLY A 47 -1.760 18.938 -3.803 1.00 72.35 H new ATOM 0 HA3 GLY A 47 -3.214 18.973 -2.825 1.00 72.35 H new ATOM 713 N ARG A 48 -1.539 16.157 -3.265 1.00 22.45 N ATOM 714 CA ARG A 48 -0.991 14.999 -2.568 1.00 24.42 C ATOM 715 C ARG A 48 0.436 14.714 -3.027 1.00 13.33 C ATOM 716 O ARG A 48 0.783 13.574 -3.334 1.00 70.32 O ATOM 717 CB ARG A 48 -1.870 13.771 -2.808 1.00 51.42 C ATOM 718 CG ARG A 48 -1.632 12.648 -1.811 1.00 11.02 C ATOM 719 CD ARG A 48 -2.661 11.539 -1.965 1.00 51.24 C ATOM 720 NE ARG A 48 -3.975 11.939 -1.469 1.00 33.13 N ATOM 721 CZ ARG A 48 -4.983 11.092 -1.293 1.00 50.21 C ATOM 722 NH1 ARG A 48 -4.828 9.805 -1.571 1.00 64.34 N ATOM 723 NH2 ARG A 48 -6.149 11.532 -0.838 1.00 41.12 N ATOM 0 H ARG A 48 -1.491 16.099 -4.282 1.00 22.45 H new ATOM 0 HA ARG A 48 -0.973 15.222 -1.501 1.00 24.42 H new ATOM 0 HB2 ARG A 48 -2.917 14.070 -2.763 1.00 51.42 H new ATOM 0 HB3 ARG A 48 -1.689 13.396 -3.815 1.00 51.42 H new ATOM 0 HG2 ARG A 48 -0.631 12.240 -1.953 1.00 11.02 H new ATOM 0 HG3 ARG A 48 -1.673 13.046 -0.797 1.00 11.02 H new ATOM 0 HD2 ARG A 48 -2.740 11.261 -3.016 1.00 51.24 H new ATOM 0 HD3 ARG A 48 -2.324 10.654 -1.425 1.00 51.24 H new ATOM 0 HE ARG A 48 -4.127 12.923 -1.245 1.00 33.13 H new ATOM 0 HH11 ARG A 48 -3.933 9.463 -1.921 1.00 64.34 H new ATOM 0 HH12 ARG A 48 -5.604 9.157 -1.435 1.00 64.34 H new ATOM 0 HH21 ARG A 48 -6.272 12.521 -0.623 1.00 41.12 H new ATOM 0 HH22 ARG A 48 -6.922 10.881 -0.703 1.00 41.12 H new ATOM 773 N ASP A 52 3.302 10.724 -6.318 1.00 44.42 N ATOM 774 CA ASP A 52 2.258 9.921 -5.690 1.00 31.43 C ATOM 775 C ASP A 52 1.831 8.775 -6.603 1.00 4.24 C ATOM 776 O ASP A 52 1.084 8.978 -7.560 1.00 61.35 O ATOM 777 CB ASP A 52 1.050 10.793 -5.347 1.00 11.04 C ATOM 778 CG ASP A 52 0.662 10.695 -3.884 1.00 23.22 C ATOM 779 OD1 ASP A 52 -0.464 10.237 -3.599 1.00 12.32 O ATOM 780 OD2 ASP A 52 1.485 11.076 -3.026 1.00 12.51 O ATOM 0 HA ASP A 52 2.663 9.498 -4.771 1.00 31.43 H new ATOM 0 HB2 ASP A 52 1.274 11.831 -5.592 1.00 11.04 H new ATOM 0 HB3 ASP A 52 0.203 10.495 -5.965 1.00 11.04 H new ATOM 785 N ILE A 53 2.311 7.573 -6.301 1.00 3.35 N ATOM 786 CA ILE A 53 1.979 6.397 -7.094 1.00 10.22 C ATOM 787 C ILE A 53 1.118 5.422 -6.297 1.00 20.32 C ATOM 788 O ILE A 53 1.593 4.401 -5.798 1.00 63.14 O ATOM 789 CB ILE A 53 3.246 5.668 -7.578 1.00 4.30 C ATOM 790 CG1 ILE A 53 4.108 6.606 -8.425 1.00 24.12 C ATOM 791 CG2 ILE A 53 2.872 4.424 -8.369 1.00 5.12 C ATOM 792 CD1 ILE A 53 3.480 6.972 -9.751 1.00 60.25 C ATOM 0 H ILE A 53 2.931 7.389 -5.512 1.00 3.35 H new ATOM 0 HA ILE A 53 1.419 6.749 -7.961 1.00 10.22 H new ATOM 0 HB ILE A 53 3.825 5.360 -6.707 1.00 4.30 H new ATOM 0 HG12 ILE A 53 4.301 7.518 -7.860 1.00 24.12 H new ATOM 0 HG13 ILE A 53 5.073 6.133 -8.608 1.00 24.12 H new ATOM 0 HG21 ILE A 53 3.778 3.920 -8.704 1.00 5.12 H new ATOM 0 HG22 ILE A 53 2.295 3.750 -7.736 1.00 5.12 H new ATOM 0 HG23 ILE A 53 2.274 4.709 -9.235 1.00 5.12 H new ATOM 0 HD11 ILE A 53 4.147 7.639 -10.298 1.00 60.25 H new ATOM 0 HD12 ILE A 53 3.312 6.068 -10.336 1.00 60.25 H new ATOM 0 HD13 ILE A 53 2.528 7.474 -9.577 1.00 60.25 H new ATOM 804 N PRO A 54 -0.178 5.742 -6.173 1.00 64.11 N ATOM 805 CA PRO A 54 -1.134 4.906 -5.440 1.00 4.23 C ATOM 806 C PRO A 54 -1.425 3.593 -6.158 1.00 71.14 C ATOM 807 O PRO A 54 -1.557 3.559 -7.381 1.00 12.51 O ATOM 808 CB PRO A 54 -2.393 5.774 -5.383 1.00 4.32 C ATOM 809 CG PRO A 54 -2.282 6.683 -6.558 1.00 71.15 C ATOM 810 CD PRO A 54 -0.812 6.944 -6.741 1.00 71.23 C ATOM 0 HA PRO A 54 -0.754 4.616 -4.460 1.00 4.23 H new ATOM 0 HB2 PRO A 54 -3.296 5.166 -5.437 1.00 4.32 H new ATOM 0 HB3 PRO A 54 -2.444 6.337 -4.451 1.00 4.32 H new ATOM 0 HG2 PRO A 54 -2.711 6.224 -7.449 1.00 71.15 H new ATOM 0 HG3 PRO A 54 -2.825 7.612 -6.385 1.00 71.15 H new ATOM 0 HD2 PRO A 54 -0.555 7.075 -7.792 1.00 71.23 H new ATOM 0 HD3 PRO A 54 -0.497 7.848 -6.221 1.00 71.23 H new ATOM 818 N GLU A 55 -1.523 2.512 -5.389 1.00 24.32 N ATOM 819 CA GLU A 55 -1.798 1.196 -5.953 1.00 25.43 C ATOM 820 C GLU A 55 -2.922 0.501 -5.190 1.00 30.12 C ATOM 821 O GLU A 55 -2.800 -0.663 -4.807 1.00 53.11 O ATOM 822 CB GLU A 55 -0.536 0.331 -5.925 1.00 1.21 C ATOM 823 CG GLU A 55 0.431 0.626 -7.060 1.00 44.31 C ATOM 824 CD GLU A 55 -0.222 0.517 -8.425 1.00 75.13 C ATOM 825 OE1 GLU A 55 -0.931 -0.482 -8.664 1.00 41.25 O ATOM 826 OE2 GLU A 55 -0.023 1.429 -9.253 1.00 4.15 O ATOM 0 H GLU A 55 -1.416 2.522 -4.375 1.00 24.32 H new ATOM 0 HA GLU A 55 -2.114 1.331 -6.987 1.00 25.43 H new ATOM 0 HB2 GLU A 55 -0.024 0.481 -4.975 1.00 1.21 H new ATOM 0 HB3 GLU A 55 -0.825 -0.719 -5.969 1.00 1.21 H new ATOM 0 HG2 GLU A 55 0.837 1.630 -6.935 1.00 44.31 H new ATOM 0 HG3 GLU A 55 1.271 -0.067 -7.007 1.00 44.31 H new ATOM 833 N THR A 56 -4.016 1.224 -4.972 1.00 62.52 N ATOM 834 CA THR A 56 -5.161 0.679 -4.254 1.00 73.30 C ATOM 835 C THR A 56 -6.470 1.225 -4.812 1.00 0.42 C ATOM 836 O THR A 56 -6.579 2.414 -5.115 1.00 40.43 O ATOM 837 CB THR A 56 -5.084 0.997 -2.749 1.00 3.40 C ATOM 838 OG1 THR A 56 -5.378 2.381 -2.526 1.00 20.02 O ATOM 839 CG2 THR A 56 -3.704 0.671 -2.198 1.00 1.14 C ATOM 0 H THR A 56 -4.133 2.189 -5.283 1.00 62.52 H new ATOM 0 HA THR A 56 -5.134 -0.402 -4.390 1.00 73.30 H new ATOM 0 HB THR A 56 -5.819 0.382 -2.231 1.00 3.40 H new ATOM 0 HG1 THR A 56 -5.642 2.513 -1.592 1.00 20.02 H new ATOM 0 HG21 THR A 56 -3.673 0.904 -1.134 1.00 1.14 H new ATOM 0 HG22 THR A 56 -3.495 -0.389 -2.344 1.00 1.14 H new ATOM 0 HG23 THR A 56 -2.954 1.264 -2.721 1.00 1.14 H new ATOM 847 N LEU A 57 -7.462 0.351 -4.944 1.00 12.25 N ATOM 848 CA LEU A 57 -8.767 0.748 -5.464 1.00 35.22 C ATOM 849 C LEU A 57 -9.311 1.955 -4.708 1.00 11.42 C ATOM 850 O LEU A 57 -10.050 2.767 -5.264 1.00 63.41 O ATOM 851 CB LEU A 57 -9.752 -0.418 -5.365 1.00 41.41 C ATOM 852 CG LEU A 57 -10.670 -0.624 -6.570 1.00 55.44 C ATOM 853 CD1 LEU A 57 -9.976 -1.460 -7.634 1.00 13.11 C ATOM 854 CD2 LEU A 57 -11.974 -1.282 -6.139 1.00 61.53 C ATOM 0 H LEU A 57 -7.388 -0.636 -4.699 1.00 12.25 H new ATOM 0 HA LEU A 57 -8.645 1.025 -6.511 1.00 35.22 H new ATOM 0 HB2 LEU A 57 -9.184 -1.335 -5.205 1.00 41.41 H new ATOM 0 HB3 LEU A 57 -10.373 -0.269 -4.482 1.00 41.41 H new ATOM 0 HG LEU A 57 -10.901 0.352 -6.998 1.00 55.44 H new ATOM 0 HD11 LEU A 57 -10.645 -1.596 -8.484 1.00 13.11 H new ATOM 0 HD12 LEU A 57 -9.070 -0.951 -7.963 1.00 13.11 H new ATOM 0 HD13 LEU A 57 -9.715 -2.433 -7.219 1.00 13.11 H new ATOM 0 HD21 LEU A 57 -12.616 -1.421 -7.009 1.00 61.53 H new ATOM 0 HD22 LEU A 57 -11.761 -2.250 -5.686 1.00 61.53 H new ATOM 0 HD23 LEU A 57 -12.480 -0.646 -5.413 1.00 61.53 H new ATOM 866 N ASP A 58 -8.939 2.068 -3.438 1.00 32.12 N ATOM 867 CA ASP A 58 -9.387 3.178 -2.606 1.00 14.14 C ATOM 868 C ASP A 58 -8.670 4.469 -2.989 1.00 62.43 C ATOM 869 O ASP A 58 -9.307 5.483 -3.270 1.00 11.23 O ATOM 870 CB ASP A 58 -9.145 2.866 -1.128 1.00 43.34 C ATOM 871 CG ASP A 58 -10.424 2.506 -0.396 1.00 74.34 C ATOM 872 OD1 ASP A 58 -11.038 3.409 0.208 1.00 32.33 O ATOM 873 OD2 ASP A 58 -10.810 1.318 -0.429 1.00 13.20 O ATOM 0 H ASP A 58 -8.328 1.404 -2.962 1.00 32.12 H new ATOM 0 HA ASP A 58 -10.456 3.314 -2.771 1.00 14.14 H new ATOM 0 HB2 ASP A 58 -8.437 2.041 -1.045 1.00 43.34 H new ATOM 0 HB3 ASP A 58 -8.685 3.730 -0.648 1.00 43.34 H new ATOM 878 N GLN A 59 -7.342 4.422 -2.997 1.00 22.42 N ATOM 879 CA GLN A 59 -6.538 5.588 -3.345 1.00 71.05 C ATOM 880 C GLN A 59 -6.865 6.074 -4.753 1.00 44.31 C ATOM 881 O GLN A 59 -6.972 7.277 -4.996 1.00 3.11 O ATOM 882 CB GLN A 59 -5.049 5.258 -3.240 1.00 74.44 C ATOM 883 CG GLN A 59 -4.535 5.211 -1.810 1.00 55.15 C ATOM 884 CD GLN A 59 -3.438 4.182 -1.618 1.00 31.42 C ATOM 885 OE1 GLN A 59 -3.587 3.234 -0.846 1.00 3.32 O ATOM 886 NE2 GLN A 59 -2.326 4.365 -2.321 1.00 35.01 N ATOM 0 H GLN A 59 -6.800 3.589 -2.767 1.00 22.42 H new ATOM 0 HA GLN A 59 -6.776 6.385 -2.640 1.00 71.05 H new ATOM 0 HB2 GLN A 59 -4.865 4.295 -3.715 1.00 74.44 H new ATOM 0 HB3 GLN A 59 -4.480 6.002 -3.797 1.00 74.44 H new ATOM 0 HG2 GLN A 59 -4.158 6.195 -1.531 1.00 55.15 H new ATOM 0 HG3 GLN A 59 -5.362 4.984 -1.138 1.00 55.15 H new ATOM 0 HE21 GLN A 59 -2.246 5.165 -2.949 1.00 35.01 H new ATOM 0 HE22 GLN A 59 -1.553 3.706 -2.233 1.00 35.01 H new ATOM 895 N LEU A 60 -7.023 5.133 -5.677 1.00 61.21 N ATOM 896 CA LEU A 60 -7.338 5.466 -7.062 1.00 32.14 C ATOM 897 C LEU A 60 -8.741 6.053 -7.176 1.00 55.11 C ATOM 898 O LEU A 60 -8.958 7.036 -7.883 1.00 0.45 O ATOM 899 CB LEU A 60 -7.220 4.222 -7.945 1.00 21.14 C ATOM 900 CG LEU A 60 -5.824 3.918 -8.492 1.00 42.34 C ATOM 901 CD1 LEU A 60 -5.441 4.924 -9.565 1.00 25.23 C ATOM 902 CD2 LEU A 60 -4.799 3.918 -7.367 1.00 41.42 C ATOM 0 H LEU A 60 -6.938 4.133 -5.492 1.00 61.21 H new ATOM 0 HA LEU A 60 -6.623 6.215 -7.402 1.00 32.14 H new ATOM 0 HB2 LEU A 60 -7.559 3.360 -7.371 1.00 21.14 H new ATOM 0 HB3 LEU A 60 -7.903 4.333 -8.788 1.00 21.14 H new ATOM 0 HG LEU A 60 -5.839 2.926 -8.943 1.00 42.34 H new ATOM 0 HD11 LEU A 60 -4.445 4.692 -9.942 1.00 25.23 H new ATOM 0 HD12 LEU A 60 -6.160 4.875 -10.383 1.00 25.23 H new ATOM 0 HD13 LEU A 60 -5.443 5.928 -9.140 1.00 25.23 H new ATOM 0 HD21 LEU A 60 -3.812 3.700 -7.774 1.00 41.42 H new ATOM 0 HD22 LEU A 60 -4.786 4.897 -6.887 1.00 41.42 H new ATOM 0 HD23 LEU A 60 -5.065 3.157 -6.633 1.00 41.42 H new ATOM 914 N ARG A 61 -9.691 5.443 -6.474 1.00 54.21 N ATOM 915 CA ARG A 61 -11.073 5.905 -6.495 1.00 55.22 C ATOM 916 C ARG A 61 -11.189 7.302 -5.892 1.00 75.24 C ATOM 917 O ARG A 61 -12.123 8.045 -6.195 1.00 55.41 O ATOM 918 CB ARG A 61 -11.971 4.932 -5.729 1.00 33.01 C ATOM 919 CG ARG A 61 -13.402 5.418 -5.572 1.00 35.04 C ATOM 920 CD ARG A 61 -14.382 4.257 -5.508 1.00 73.53 C ATOM 921 NE ARG A 61 -15.692 4.672 -5.016 1.00 55.33 N ATOM 922 CZ ARG A 61 -16.629 3.821 -4.610 1.00 23.23 C ATOM 923 NH1 ARG A 61 -16.399 2.516 -4.638 1.00 44.23 N ATOM 924 NH2 ARG A 61 -17.796 4.276 -4.175 1.00 40.02 N ATOM 0 H ARG A 61 -9.528 4.627 -5.884 1.00 54.21 H new ATOM 0 HA ARG A 61 -11.399 5.948 -7.534 1.00 55.22 H new ATOM 0 HB2 ARG A 61 -11.977 3.973 -6.246 1.00 33.01 H new ATOM 0 HB3 ARG A 61 -11.545 4.759 -4.741 1.00 33.01 H new ATOM 0 HG2 ARG A 61 -13.486 6.017 -4.665 1.00 35.04 H new ATOM 0 HG3 ARG A 61 -13.660 6.068 -6.408 1.00 35.04 H new ATOM 0 HD2 ARG A 61 -14.490 3.819 -6.500 1.00 73.53 H new ATOM 0 HD3 ARG A 61 -13.981 3.479 -4.858 1.00 73.53 H new ATOM 0 HE ARG A 61 -15.900 5.670 -4.982 1.00 55.33 H new ATOM 0 HH11 ARG A 61 -15.502 2.163 -4.971 1.00 44.23 H new ATOM 0 HH12 ARG A 61 -17.119 1.864 -4.326 1.00 44.23 H new ATOM 0 HH21 ARG A 61 -17.975 5.280 -4.152 1.00 40.02 H new ATOM 0 HH22 ARG A 61 -18.514 3.622 -3.864 1.00 40.02 H new ATOM 938 N LEU A 62 -10.234 7.652 -5.038 1.00 0.40 N ATOM 939 CA LEU A 62 -10.228 8.960 -4.391 1.00 25.02 C ATOM 940 C LEU A 62 -9.737 10.040 -5.351 1.00 50.03 C ATOM 941 O LEU A 62 -10.445 11.008 -5.627 1.00 63.32 O ATOM 942 CB LEU A 62 -9.344 8.930 -3.143 1.00 24.45 C ATOM 943 CG LEU A 62 -10.044 9.227 -1.817 1.00 52.31 C ATOM 944 CD1 LEU A 62 -10.488 10.680 -1.762 1.00 43.20 C ATOM 945 CD2 LEU A 62 -11.231 8.297 -1.621 1.00 75.03 C ATOM 0 H LEU A 62 -9.454 7.049 -4.777 1.00 0.40 H new ATOM 0 HA LEU A 62 -11.251 9.198 -4.098 1.00 25.02 H new ATOM 0 HB2 LEU A 62 -8.881 7.946 -3.074 1.00 24.45 H new ATOM 0 HB3 LEU A 62 -8.539 9.652 -3.275 1.00 24.45 H new ATOM 0 HG LEU A 62 -9.335 9.054 -1.007 1.00 52.31 H new ATOM 0 HD11 LEU A 62 -10.984 10.873 -0.811 1.00 43.20 H new ATOM 0 HD12 LEU A 62 -9.618 11.330 -1.856 1.00 43.20 H new ATOM 0 HD13 LEU A 62 -11.180 10.880 -2.580 1.00 43.20 H new ATOM 0 HD21 LEU A 62 -11.717 8.523 -0.672 1.00 75.03 H new ATOM 0 HD22 LEU A 62 -11.942 8.438 -2.435 1.00 75.03 H new ATOM 0 HD23 LEU A 62 -10.886 7.263 -1.615 1.00 75.03 H new ATOM 957 N VAL A 63 -8.521 9.865 -5.858 1.00 75.52 N ATOM 958 CA VAL A 63 -7.936 10.822 -6.789 1.00 33.34 C ATOM 959 C VAL A 63 -8.884 11.112 -7.946 1.00 3.51 C ATOM 960 O VAL A 63 -8.996 12.251 -8.401 1.00 23.35 O ATOM 961 CB VAL A 63 -6.598 10.310 -7.354 1.00 33.34 C ATOM 962 CG1 VAL A 63 -5.517 10.348 -6.284 1.00 55.20 C ATOM 963 CG2 VAL A 63 -6.757 8.904 -7.912 1.00 52.30 C ATOM 0 H VAL A 63 -7.922 9.069 -5.639 1.00 75.52 H new ATOM 0 HA VAL A 63 -7.758 11.740 -6.229 1.00 33.34 H new ATOM 0 HB VAL A 63 -6.293 10.967 -8.169 1.00 33.34 H new ATOM 0 HG11 VAL A 63 -4.579 9.983 -6.702 1.00 55.20 H new ATOM 0 HG12 VAL A 63 -5.385 11.373 -5.936 1.00 55.20 H new ATOM 0 HG13 VAL A 63 -5.812 9.716 -5.446 1.00 55.20 H new ATOM 0 HG21 VAL A 63 -5.801 8.559 -8.307 1.00 52.30 H new ATOM 0 HG22 VAL A 63 -7.086 8.233 -7.119 1.00 52.30 H new ATOM 0 HG23 VAL A 63 -7.498 8.911 -8.711 1.00 52.30 H new ATOM 973 N ILE A 64 -9.568 10.076 -8.418 1.00 63.54 N ATOM 974 CA ILE A 64 -10.509 10.220 -9.522 1.00 71.14 C ATOM 975 C ILE A 64 -11.735 11.021 -9.098 1.00 3.54 C ATOM 976 O ILE A 64 -12.095 12.010 -9.740 1.00 35.01 O ATOM 977 CB ILE A 64 -10.967 8.849 -10.055 1.00 73.22 C ATOM 978 CG1 ILE A 64 -9.789 8.106 -10.691 1.00 64.12 C ATOM 979 CG2 ILE A 64 -12.096 9.021 -11.059 1.00 2.41 C ATOM 980 CD1 ILE A 64 -9.201 8.820 -11.887 1.00 63.43 C ATOM 0 H ILE A 64 -9.488 9.127 -8.053 1.00 63.54 H new ATOM 0 HA ILE A 64 -9.985 10.753 -10.315 1.00 71.14 H new ATOM 0 HB ILE A 64 -11.338 8.256 -9.219 1.00 73.22 H new ATOM 0 HG12 ILE A 64 -9.010 7.967 -9.941 1.00 64.12 H new ATOM 0 HG13 ILE A 64 -10.118 7.113 -10.996 1.00 64.12 H new ATOM 0 HG21 ILE A 64 -12.408 8.043 -11.426 1.00 2.41 H new ATOM 0 HG22 ILE A 64 -12.940 9.514 -10.577 1.00 2.41 H new ATOM 0 HG23 ILE A 64 -11.750 9.629 -11.895 1.00 2.41 H new ATOM 0 HD11 ILE A 64 -8.371 8.237 -12.287 1.00 63.43 H new ATOM 0 HD12 ILE A 64 -9.966 8.935 -12.654 1.00 63.43 H new ATOM 0 HD13 ILE A 64 -8.841 9.803 -11.583 1.00 63.43 H new ATOM 992 N CYS A 65 -12.369 10.592 -8.013 1.00 3.31 N ATOM 993 CA CYS A 65 -13.555 11.271 -7.502 1.00 3.13 C ATOM 994 C CYS A 65 -13.257 12.738 -7.206 1.00 31.42 C ATOM 995 O CYS A 65 -14.064 13.618 -7.503 1.00 43.40 O ATOM 996 CB CYS A 65 -14.061 10.577 -6.237 1.00 31.44 C ATOM 997 SG CYS A 65 -15.431 11.430 -5.423 1.00 21.32 S ATOM 0 H CYS A 65 -12.082 9.778 -7.470 1.00 3.31 H new ATOM 0 HA CYS A 65 -14.329 11.223 -8.268 1.00 3.13 H new ATOM 0 HB2 CYS A 65 -14.378 9.566 -6.493 1.00 31.44 H new ATOM 0 HB3 CYS A 65 -13.235 10.484 -5.532 1.00 31.44 H new ATOM 0 HG CYS A 65 -15.789 10.765 -4.365 1.00 21.32 H new ATOM 1003 N ASP A 66 -12.092 12.992 -6.618 1.00 61.03 N ATOM 1004 CA ASP A 66 -11.687 14.352 -6.281 1.00 23.11 C ATOM 1005 C ASP A 66 -11.354 15.147 -7.539 1.00 1.02 C ATOM 1006 O ASP A 66 -11.982 16.166 -7.827 1.00 44.12 O ATOM 1007 CB ASP A 66 -10.481 14.329 -5.342 1.00 31.45 C ATOM 1008 CG ASP A 66 -10.446 15.526 -4.412 1.00 43.43 C ATOM 1009 OD1 ASP A 66 -10.207 15.332 -3.202 1.00 74.11 O ATOM 1010 OD2 ASP A 66 -10.660 16.657 -4.895 1.00 10.30 O ATOM 0 H ASP A 66 -11.413 12.274 -6.365 1.00 61.03 H new ATOM 0 HA ASP A 66 -12.521 14.839 -5.776 1.00 23.11 H new ATOM 0 HB2 ASP A 66 -10.503 13.414 -4.750 1.00 31.45 H new ATOM 0 HB3 ASP A 66 -9.565 14.305 -5.933 1.00 31.45 H new ATOM 1015 N LEU A 67 -10.360 14.676 -8.284 1.00 21.30 N ATOM 1016 CA LEU A 67 -9.941 15.343 -9.512 1.00 4.44 C ATOM 1017 C LEU A 67 -11.134 15.594 -10.429 1.00 4.12 C ATOM 1018 O LEU A 67 -11.184 16.601 -11.137 1.00 35.12 O ATOM 1019 CB LEU A 67 -8.891 14.503 -10.240 1.00 1.34 C ATOM 1020 CG LEU A 67 -7.509 14.440 -9.586 1.00 51.53 C ATOM 1021 CD1 LEU A 67 -6.654 13.372 -10.248 1.00 72.31 C ATOM 1022 CD2 LEU A 67 -6.823 15.797 -9.659 1.00 12.50 C ATOM 0 H LEU A 67 -9.829 13.835 -8.059 1.00 21.30 H new ATOM 0 HA LEU A 67 -9.504 16.305 -9.243 1.00 4.44 H new ATOM 0 HB2 LEU A 67 -9.272 13.486 -10.337 1.00 1.34 H new ATOM 0 HB3 LEU A 67 -8.775 14.898 -11.250 1.00 1.34 H new ATOM 0 HG LEU A 67 -7.636 14.175 -8.536 1.00 51.53 H new ATOM 0 HD11 LEU A 67 -5.675 13.342 -9.770 1.00 72.31 H new ATOM 0 HD12 LEU A 67 -7.139 12.401 -10.144 1.00 72.31 H new ATOM 0 HD13 LEU A 67 -6.534 13.606 -11.306 1.00 72.31 H new ATOM 0 HD21 LEU A 67 -5.841 15.734 -9.189 1.00 12.50 H new ATOM 0 HD22 LEU A 67 -6.708 16.091 -10.702 1.00 12.50 H new ATOM 0 HD23 LEU A 67 -7.428 16.539 -9.138 1.00 12.50 H new ATOM 1034 N GLN A 68 -12.092 14.674 -10.410 1.00 72.41 N ATOM 1035 CA GLN A 68 -13.285 14.796 -11.240 1.00 0.11 C ATOM 1036 C GLN A 68 -14.126 15.994 -10.810 1.00 64.22 C ATOM 1037 O GLN A 68 -14.418 16.879 -11.614 1.00 53.04 O ATOM 1038 CB GLN A 68 -14.120 13.518 -11.161 1.00 62.23 C ATOM 1039 CG GLN A 68 -15.389 13.567 -11.997 1.00 65.12 C ATOM 1040 CD GLN A 68 -16.538 14.245 -11.276 1.00 20.14 C ATOM 1041 OE1 GLN A 68 -16.614 14.222 -10.047 1.00 60.12 O ATOM 1042 NE2 GLN A 68 -17.438 14.855 -12.037 1.00 75.23 N ATOM 0 H GLN A 68 -12.066 13.836 -9.829 1.00 72.41 H new ATOM 0 HA GLN A 68 -12.966 14.950 -12.271 1.00 0.11 H new ATOM 0 HB2 GLN A 68 -13.511 12.675 -11.489 1.00 62.23 H new ATOM 0 HB3 GLN A 68 -14.387 13.332 -10.121 1.00 62.23 H new ATOM 0 HG2 GLN A 68 -15.186 14.097 -12.928 1.00 65.12 H new ATOM 0 HG3 GLN A 68 -15.682 12.552 -12.265 1.00 65.12 H new ATOM 0 HE21 GLN A 68 -17.336 14.849 -13.052 1.00 75.23 H new ATOM 0 HE22 GLN A 68 -18.232 15.330 -11.607 1.00 75.23 H new ATOM 1051 N GLU A 69 -14.511 16.016 -9.538 1.00 74.34 N ATOM 1052 CA GLU A 69 -15.320 17.105 -9.003 1.00 75.40 C ATOM 1053 C GLU A 69 -14.632 18.450 -9.220 1.00 75.10 C ATOM 1054 O GLU A 69 -15.256 19.412 -9.667 1.00 60.53 O ATOM 1055 CB GLU A 69 -15.583 16.888 -7.511 1.00 31.14 C ATOM 1056 CG GLU A 69 -17.021 17.158 -7.102 1.00 35.52 C ATOM 1057 CD GLU A 69 -17.151 17.523 -5.635 1.00 44.54 C ATOM 1058 OE1 GLU A 69 -17.761 16.737 -4.881 1.00 11.31 O ATOM 1059 OE2 GLU A 69 -16.645 18.595 -5.243 1.00 41.21 O ATOM 0 H GLU A 69 -14.276 15.292 -8.859 1.00 74.34 H new ATOM 0 HA GLU A 69 -16.272 17.113 -9.535 1.00 75.40 H new ATOM 0 HB2 GLU A 69 -15.327 15.861 -7.251 1.00 31.14 H new ATOM 0 HB3 GLU A 69 -14.922 17.537 -6.936 1.00 31.14 H new ATOM 0 HG2 GLU A 69 -17.422 17.968 -7.711 1.00 35.52 H new ATOM 0 HG3 GLU A 69 -17.626 16.275 -7.308 1.00 35.52 H new ATOM 1066 N ARG A 70 -13.344 18.508 -8.899 1.00 15.41 N ATOM 1067 CA ARG A 70 -12.571 19.734 -9.055 1.00 41.34 C ATOM 1068 C ARG A 70 -12.435 20.105 -10.529 1.00 60.50 C ATOM 1069 O ARG A 70 -12.434 21.283 -10.885 1.00 5.22 O ATOM 1070 CB ARG A 70 -11.186 19.573 -8.428 1.00 40.22 C ATOM 1071 CG ARG A 70 -10.722 20.796 -7.655 1.00 13.53 C ATOM 1072 CD ARG A 70 -9.303 21.190 -8.032 1.00 20.20 C ATOM 1073 NE ARG A 70 -9.167 21.442 -9.464 1.00 75.15 N ATOM 1074 CZ ARG A 70 -8.100 22.010 -10.013 1.00 31.05 C ATOM 1075 NH1 ARG A 70 -7.079 22.383 -9.253 1.00 62.52 N ATOM 1076 NH2 ARG A 70 -8.051 22.205 -11.325 1.00 3.04 N ATOM 0 H ARG A 70 -12.813 17.719 -8.529 1.00 15.41 H new ATOM 0 HA ARG A 70 -13.101 20.537 -8.543 1.00 41.34 H new ATOM 0 HB2 ARG A 70 -11.197 18.713 -7.758 1.00 40.22 H new ATOM 0 HB3 ARG A 70 -10.463 19.355 -9.214 1.00 40.22 H new ATOM 0 HG2 ARG A 70 -11.396 21.629 -7.852 1.00 13.53 H new ATOM 0 HG3 ARG A 70 -10.772 20.592 -6.585 1.00 13.53 H new ATOM 0 HD2 ARG A 70 -9.016 22.084 -7.478 1.00 20.20 H new ATOM 0 HD3 ARG A 70 -8.616 20.397 -7.737 1.00 20.20 H new ATOM 0 HE ARG A 70 -9.935 21.166 -10.077 1.00 75.15 H new ATOM 0 HH11 ARG A 70 -7.113 22.234 -8.245 1.00 62.52 H new ATOM 0 HH12 ARG A 70 -6.260 22.819 -9.677 1.00 62.52 H new ATOM 0 HH21 ARG A 70 -8.834 21.918 -11.913 1.00 3.04 H new ATOM 0 HH22 ARG A 70 -7.231 22.642 -11.745 1.00 3.04 H new ATOM 1090 N ARG A 71 -12.320 19.091 -11.381 1.00 32.22 N ATOM 1091 CA ARG A 71 -12.181 19.310 -12.816 1.00 3.45 C ATOM 1092 C ARG A 71 -13.384 20.069 -13.369 1.00 15.25 C ATOM 1093 O ARG A 71 -13.231 21.075 -14.060 1.00 12.02 O ATOM 1094 CB ARG A 71 -12.028 17.975 -13.545 1.00 21.53 C ATOM 1095 CG ARG A 71 -12.081 18.098 -15.059 1.00 73.10 C ATOM 1096 CD ARG A 71 -13.430 17.658 -15.606 1.00 21.32 C ATOM 1097 NE ARG A 71 -13.553 17.921 -17.037 1.00 31.44 N ATOM 1098 CZ ARG A 71 -13.033 17.137 -17.976 1.00 34.32 C ATOM 1099 NH1 ARG A 71 -12.361 16.046 -17.635 1.00 22.52 N ATOM 1100 NH2 ARG A 71 -13.186 17.443 -19.258 1.00 53.53 N ATOM 0 H ARG A 71 -12.320 18.110 -11.102 1.00 32.22 H new ATOM 0 HA ARG A 71 -11.287 19.911 -12.981 1.00 3.45 H new ATOM 0 HB2 ARG A 71 -11.079 17.521 -13.259 1.00 21.53 H new ATOM 0 HB3 ARG A 71 -12.817 17.299 -13.216 1.00 21.53 H new ATOM 0 HG2 ARG A 71 -11.889 19.131 -15.348 1.00 73.10 H new ATOM 0 HG3 ARG A 71 -11.292 17.491 -15.502 1.00 73.10 H new ATOM 0 HD2 ARG A 71 -13.566 16.593 -15.420 1.00 21.32 H new ATOM 0 HD3 ARG A 71 -14.225 18.179 -15.072 1.00 21.32 H new ATOM 0 HE ARG A 71 -14.066 18.752 -17.332 1.00 31.44 H new ATOM 0 HH11 ARG A 71 -12.242 15.807 -16.651 1.00 22.52 H new ATOM 0 HH12 ARG A 71 -11.963 15.446 -18.357 1.00 22.52 H new ATOM 0 HH21 ARG A 71 -13.703 18.281 -19.524 1.00 53.53 H new ATOM 0 HH22 ARG A 71 -12.786 16.840 -19.977 1.00 53.53 H new ATOM 1114 N GLU A 72 -14.580 19.577 -13.060 1.00 13.31 N ATOM 1115 CA GLU A 72 -15.809 20.209 -13.527 1.00 54.10 C ATOM 1116 C GLU A 72 -15.916 21.640 -13.011 1.00 22.15 C ATOM 1117 O GLU A 72 -16.126 22.577 -13.781 1.00 72.33 O ATOM 1118 CB GLU A 72 -17.027 19.400 -13.077 1.00 73.12 C ATOM 1119 CG GLU A 72 -18.115 19.299 -14.133 1.00 1.51 C ATOM 1120 CD GLU A 72 -19.313 20.174 -13.820 1.00 42.25 C ATOM 1121 OE1 GLU A 72 -19.735 20.942 -14.711 1.00 74.13 O ATOM 1122 OE2 GLU A 72 -19.830 20.091 -12.686 1.00 30.11 O ATOM 0 H GLU A 72 -14.724 18.744 -12.489 1.00 13.31 H new ATOM 0 HA GLU A 72 -15.782 20.236 -14.616 1.00 54.10 H new ATOM 0 HB2 GLU A 72 -16.704 18.396 -12.803 1.00 73.12 H new ATOM 0 HB3 GLU A 72 -17.445 19.857 -12.180 1.00 73.12 H new ATOM 0 HG2 GLU A 72 -17.704 19.584 -15.101 1.00 1.51 H new ATOM 0 HG3 GLU A 72 -18.439 18.262 -14.218 1.00 1.51 H new ATOM 1129 N LYS A 73 -15.770 21.802 -11.700 1.00 42.33 N ATOM 1130 CA LYS A 73 -15.851 23.119 -11.078 1.00 34.50 C ATOM 1131 C LYS A 73 -14.790 24.055 -11.648 1.00 22.30 C ATOM 1132 O LYS A 73 -14.951 25.275 -11.631 1.00 52.02 O ATOM 1133 CB LYS A 73 -15.680 23.000 -9.562 1.00 33.43 C ATOM 1134 CG LYS A 73 -16.653 23.857 -8.770 1.00 20.42 C ATOM 1135 CD LYS A 73 -17.238 23.094 -7.594 1.00 41.31 C ATOM 1136 CE LYS A 73 -16.181 22.796 -6.542 1.00 74.34 C ATOM 1137 NZ LYS A 73 -16.765 22.137 -5.340 1.00 5.55 N ATOM 0 H LYS A 73 -15.595 21.038 -11.048 1.00 42.33 H new ATOM 0 HA LYS A 73 -16.834 23.537 -11.295 1.00 34.50 H new ATOM 0 HB2 LYS A 73 -15.808 21.957 -9.271 1.00 33.43 H new ATOM 0 HB3 LYS A 73 -14.661 23.282 -9.297 1.00 33.43 H new ATOM 0 HG2 LYS A 73 -16.142 24.749 -8.408 1.00 20.42 H new ATOM 0 HG3 LYS A 73 -17.458 24.194 -9.423 1.00 20.42 H new ATOM 0 HD2 LYS A 73 -18.044 23.675 -7.147 1.00 41.31 H new ATOM 0 HD3 LYS A 73 -17.676 22.160 -7.946 1.00 41.31 H new ATOM 0 HE2 LYS A 73 -15.412 22.153 -6.971 1.00 74.34 H new ATOM 0 HE3 LYS A 73 -15.692 23.724 -6.246 1.00 74.34 H new ATOM 0 HZ1 LYS A 73 -16.013 21.950 -4.646 1.00 5.55 H new ATOM 0 HZ2 LYS A 73 -17.481 22.761 -4.915 1.00 5.55 H new ATOM 0 HZ3 LYS A 73 -17.210 21.239 -5.618 1.00 5.55 H new ATOM 1151 N PHE A 74 -13.706 23.476 -12.153 1.00 70.25 N ATOM 1152 CA PHE A 74 -12.619 24.258 -12.730 1.00 13.02 C ATOM 1153 C PHE A 74 -12.877 24.544 -14.206 1.00 63.04 C ATOM 1154 O PHE A 74 -12.381 25.526 -14.756 1.00 41.04 O ATOM 1155 CB PHE A 74 -11.288 23.521 -12.566 1.00 70.04 C ATOM 1156 CG PHE A 74 -10.099 24.324 -13.008 1.00 70.34 C ATOM 1157 CD1 PHE A 74 -9.732 25.475 -12.330 1.00 54.52 C ATOM 1158 CD2 PHE A 74 -9.347 23.929 -14.104 1.00 71.04 C ATOM 1159 CE1 PHE A 74 -8.638 26.216 -12.734 1.00 53.42 C ATOM 1160 CE2 PHE A 74 -8.252 24.666 -14.513 1.00 12.43 C ATOM 1161 CZ PHE A 74 -7.898 25.812 -13.827 1.00 53.01 C ATOM 0 H PHE A 74 -13.557 22.467 -12.174 1.00 70.25 H new ATOM 0 HA PHE A 74 -12.568 25.208 -12.198 1.00 13.02 H new ATOM 0 HB2 PHE A 74 -11.161 23.246 -11.519 1.00 70.04 H new ATOM 0 HB3 PHE A 74 -11.323 22.594 -13.138 1.00 70.04 H new ATOM 0 HD1 PHE A 74 -10.308 25.797 -11.475 1.00 54.52 H new ATOM 0 HD2 PHE A 74 -9.620 23.035 -14.644 1.00 71.04 H new ATOM 0 HE1 PHE A 74 -8.362 27.110 -12.195 1.00 53.42 H new ATOM 0 HE2 PHE A 74 -7.674 24.347 -15.368 1.00 12.43 H new ATOM 0 HZ PHE A 74 -7.044 26.391 -14.145 1.00 53.01 H new ATOM 1171 N GLY A 75 -13.658 23.676 -14.843 1.00 53.21 N ATOM 1172 CA GLY A 75 -13.969 23.851 -16.250 1.00 41.50 C ATOM 1173 C GLY A 75 -13.457 22.708 -17.103 1.00 21.40 C ATOM 1174 O GLY A 75 -13.039 21.673 -16.582 1.00 1.13 O ATOM 0 H GLY A 75 -14.081 22.855 -14.410 1.00 53.21 H new ATOM 0 HA2 GLY A 75 -15.049 23.936 -16.372 1.00 41.50 H new ATOM 0 HA3 GLY A 75 -13.533 24.786 -16.602 1.00 41.50 H new ATOM 1178 N SER A 76 -13.489 22.893 -18.419 1.00 31.34 N ATOM 1179 CA SER A 76 -13.028 21.867 -19.347 1.00 53.41 C ATOM 1180 C SER A 76 -11.600 22.145 -19.801 1.00 25.34 C ATOM 1181 O SER A 76 -11.181 23.299 -19.897 1.00 2.22 O ATOM 1182 CB SER A 76 -13.957 21.795 -20.562 1.00 31.33 C ATOM 1183 OG SER A 76 -14.774 22.949 -20.648 1.00 22.32 O ATOM 0 H SER A 76 -13.829 23.744 -18.867 1.00 31.34 H new ATOM 0 HA SER A 76 -13.044 20.909 -18.827 1.00 53.41 H new ATOM 0 HB2 SER A 76 -13.364 21.697 -21.472 1.00 31.33 H new ATOM 0 HB3 SER A 76 -14.584 20.906 -20.492 1.00 31.33 H new ATOM 0 HG SER A 76 -15.357 22.880 -21.433 1.00 22.32 H new ATOM 1189 N SER A 77 -10.855 21.080 -20.078 1.00 25.30 N ATOM 1190 CA SER A 77 -9.470 21.209 -20.519 1.00 0.21 C ATOM 1191 C SER A 77 -8.884 19.845 -20.873 1.00 24.24 C ATOM 1192 O SER A 77 -8.888 18.924 -20.058 1.00 33.13 O ATOM 1193 CB SER A 77 -8.626 21.872 -19.429 1.00 33.42 C ATOM 1194 OG SER A 77 -7.349 21.266 -19.334 1.00 33.44 O ATOM 0 H SER A 77 -11.187 20.118 -20.005 1.00 25.30 H new ATOM 0 HA SER A 77 -9.455 21.835 -21.411 1.00 0.21 H new ATOM 0 HB2 SER A 77 -8.513 22.934 -19.648 1.00 33.42 H new ATOM 0 HB3 SER A 77 -9.140 21.797 -18.471 1.00 33.42 H new ATOM 0 HG SER A 77 -6.828 21.709 -18.632 1.00 33.44 H new ATOM 1200 N LYS A 78 -8.381 19.726 -22.097 1.00 21.23 N ATOM 1201 CA LYS A 78 -7.789 18.477 -22.563 1.00 15.25 C ATOM 1202 C LYS A 78 -6.668 18.026 -21.632 1.00 12.13 C ATOM 1203 O LYS A 78 -6.356 16.838 -21.551 1.00 4.41 O ATOM 1204 CB LYS A 78 -7.250 18.643 -23.985 1.00 23.43 C ATOM 1205 CG LYS A 78 -6.950 17.327 -24.680 1.00 15.43 C ATOM 1206 CD LYS A 78 -8.222 16.645 -25.157 1.00 23.44 C ATOM 1207 CE LYS A 78 -8.211 16.438 -26.664 1.00 74.03 C ATOM 1208 NZ LYS A 78 -9.574 16.558 -27.250 1.00 72.23 N ATOM 0 H LYS A 78 -8.371 20.479 -22.785 1.00 21.23 H new ATOM 0 HA LYS A 78 -8.567 17.713 -22.563 1.00 15.25 H new ATOM 0 HB2 LYS A 78 -7.977 19.199 -24.577 1.00 23.43 H new ATOM 0 HB3 LYS A 78 -6.340 19.242 -23.952 1.00 23.43 H new ATOM 0 HG2 LYS A 78 -6.291 17.505 -25.530 1.00 15.43 H new ATOM 0 HG3 LYS A 78 -6.417 16.667 -23.996 1.00 15.43 H new ATOM 0 HD2 LYS A 78 -8.330 15.682 -24.657 1.00 23.44 H new ATOM 0 HD3 LYS A 78 -9.086 17.248 -24.878 1.00 23.44 H new ATOM 0 HE2 LYS A 78 -7.551 17.172 -27.127 1.00 74.03 H new ATOM 0 HE3 LYS A 78 -7.803 15.453 -26.892 1.00 74.03 H new ATOM 0 HZ1 LYS A 78 -9.524 16.411 -28.278 1.00 72.23 H new ATOM 0 HZ2 LYS A 78 -10.198 15.841 -26.827 1.00 72.23 H new ATOM 0 HZ3 LYS A 78 -9.954 17.506 -27.054 1.00 72.23 H new ATOM 1222 N GLU A 79 -6.067 18.982 -20.930 1.00 25.31 N ATOM 1223 CA GLU A 79 -4.980 18.681 -20.005 1.00 52.30 C ATOM 1224 C GLU A 79 -5.497 17.915 -18.791 1.00 74.14 C ATOM 1225 O GLU A 79 -5.091 16.779 -18.542 1.00 1.12 O ATOM 1226 CB GLU A 79 -4.294 19.971 -19.553 1.00 23.33 C ATOM 1227 CG GLU A 79 -3.708 20.782 -20.698 1.00 14.30 C ATOM 1228 CD GLU A 79 -2.281 21.221 -20.432 1.00 32.33 C ATOM 1229 OE1 GLU A 79 -1.949 22.382 -20.749 1.00 64.34 O ATOM 1230 OE2 GLU A 79 -1.497 20.403 -19.907 1.00 35.21 O ATOM 0 H GLU A 79 -6.314 19.970 -20.984 1.00 25.31 H new ATOM 0 HA GLU A 79 -4.255 18.056 -20.526 1.00 52.30 H new ATOM 0 HB2 GLU A 79 -5.015 20.586 -19.014 1.00 23.33 H new ATOM 0 HB3 GLU A 79 -3.499 19.723 -18.850 1.00 23.33 H new ATOM 0 HG2 GLU A 79 -3.737 20.188 -21.611 1.00 14.30 H new ATOM 0 HG3 GLU A 79 -4.329 21.661 -20.870 1.00 14.30 H new ATOM 1237 N ILE A 80 -6.393 18.544 -18.039 1.00 3.43 N ATOM 1238 CA ILE A 80 -6.966 17.923 -16.852 1.00 55.24 C ATOM 1239 C ILE A 80 -7.758 16.671 -17.214 1.00 54.31 C ATOM 1240 O ILE A 80 -7.748 15.683 -16.479 1.00 10.40 O ATOM 1241 CB ILE A 80 -7.886 18.896 -16.094 1.00 3.34 C ATOM 1242 CG1 ILE A 80 -8.473 18.219 -14.853 1.00 23.42 C ATOM 1243 CG2 ILE A 80 -8.996 19.395 -17.007 1.00 42.40 C ATOM 1244 CD1 ILE A 80 -8.926 19.194 -13.789 1.00 42.15 C ATOM 0 H ILE A 80 -6.738 19.484 -18.231 1.00 3.43 H new ATOM 0 HA ILE A 80 -6.131 17.649 -16.207 1.00 55.24 H new ATOM 0 HB ILE A 80 -7.295 19.753 -15.770 1.00 3.34 H new ATOM 0 HG12 ILE A 80 -9.320 17.602 -15.152 1.00 23.42 H new ATOM 0 HG13 ILE A 80 -7.726 17.550 -14.427 1.00 23.42 H new ATOM 0 HG21 ILE A 80 -9.638 20.082 -16.457 1.00 42.40 H new ATOM 0 HG22 ILE A 80 -8.559 19.912 -17.862 1.00 42.40 H new ATOM 0 HG23 ILE A 80 -9.586 18.549 -17.358 1.00 42.40 H new ATOM 0 HD11 ILE A 80 -9.331 18.644 -12.940 1.00 42.15 H new ATOM 0 HD12 ILE A 80 -8.078 19.795 -13.461 1.00 42.15 H new ATOM 0 HD13 ILE A 80 -9.697 19.847 -14.198 1.00 42.15 H new ATOM 1256 N ASP A 81 -8.442 16.719 -18.352 1.00 14.12 N ATOM 1257 CA ASP A 81 -9.237 15.588 -18.815 1.00 54.44 C ATOM 1258 C ASP A 81 -8.354 14.370 -19.066 1.00 72.05 C ATOM 1259 O ASP A 81 -8.728 13.242 -18.744 1.00 41.51 O ATOM 1260 CB ASP A 81 -9.994 15.958 -20.091 1.00 60.42 C ATOM 1261 CG ASP A 81 -10.582 14.745 -20.787 1.00 2.32 C ATOM 1262 OD1 ASP A 81 -9.987 14.286 -21.783 1.00 71.10 O ATOM 1263 OD2 ASP A 81 -11.638 14.257 -20.334 1.00 14.13 O ATOM 0 H ASP A 81 -8.462 17.530 -18.971 1.00 14.12 H new ATOM 0 HA ASP A 81 -9.957 15.337 -18.036 1.00 54.44 H new ATOM 0 HB2 ASP A 81 -10.794 16.656 -19.846 1.00 60.42 H new ATOM 0 HB3 ASP A 81 -9.319 16.474 -20.774 1.00 60.42 H new ATOM 1268 N MET A 82 -7.182 14.605 -19.646 1.00 72.32 N ATOM 1269 CA MET A 82 -6.246 13.526 -19.941 1.00 50.02 C ATOM 1270 C MET A 82 -5.737 12.881 -18.656 1.00 32.15 C ATOM 1271 O MET A 82 -5.775 11.659 -18.506 1.00 24.15 O ATOM 1272 CB MET A 82 -5.068 14.054 -20.762 1.00 0.21 C ATOM 1273 CG MET A 82 -4.143 12.961 -21.271 1.00 73.44 C ATOM 1274 SD MET A 82 -4.355 12.637 -23.032 1.00 60.33 S ATOM 1275 CE MET A 82 -2.905 11.642 -23.370 1.00 71.21 C ATOM 0 H MET A 82 -6.858 15.532 -19.921 1.00 72.32 H new ATOM 0 HA MET A 82 -6.774 12.770 -20.522 1.00 50.02 H new ATOM 0 HB2 MET A 82 -5.452 14.618 -21.612 1.00 0.21 H new ATOM 0 HB3 MET A 82 -4.493 14.750 -20.151 1.00 0.21 H new ATOM 0 HG2 MET A 82 -3.109 13.247 -21.080 1.00 73.44 H new ATOM 0 HG3 MET A 82 -4.328 12.044 -20.712 1.00 73.44 H new ATOM 0 HE1 MET A 82 -2.894 11.362 -24.423 1.00 71.21 H new ATOM 0 HE2 MET A 82 -2.008 12.216 -23.137 1.00 71.21 H new ATOM 0 HE3 MET A 82 -2.930 10.742 -22.755 1.00 71.21 H new ATOM 1285 N ALA A 83 -5.261 13.709 -17.732 1.00 22.51 N ATOM 1286 CA ALA A 83 -4.746 13.218 -16.460 1.00 1.34 C ATOM 1287 C ALA A 83 -5.761 12.315 -15.768 1.00 34.11 C ATOM 1288 O ALA A 83 -5.402 11.278 -15.208 1.00 62.40 O ATOM 1289 CB ALA A 83 -4.374 14.385 -15.556 1.00 20.35 C ATOM 0 H ALA A 83 -5.221 14.722 -17.841 1.00 22.51 H new ATOM 0 HA ALA A 83 -3.852 12.628 -16.662 1.00 1.34 H new ATOM 0 HB1 ALA A 83 -3.991 14.004 -14.609 1.00 20.35 H new ATOM 0 HB2 ALA A 83 -3.608 14.991 -16.040 1.00 20.35 H new ATOM 0 HB3 ALA A 83 -5.257 14.997 -15.370 1.00 20.35 H new ATOM 1295 N ILE A 84 -7.027 12.714 -15.811 1.00 74.35 N ATOM 1296 CA ILE A 84 -8.093 11.938 -15.189 1.00 70.30 C ATOM 1297 C ILE A 84 -8.233 10.570 -15.846 1.00 74.14 C ATOM 1298 O ILE A 84 -8.177 9.538 -15.176 1.00 61.23 O ATOM 1299 CB ILE A 84 -9.444 12.674 -15.268 1.00 70.12 C ATOM 1300 CG1 ILE A 84 -9.359 14.020 -14.546 1.00 44.55 C ATOM 1301 CG2 ILE A 84 -10.550 11.816 -14.672 1.00 53.11 C ATOM 1302 CD1 ILE A 84 -10.336 15.049 -15.071 1.00 51.31 C ATOM 0 H ILE A 84 -7.340 13.570 -16.270 1.00 74.35 H new ATOM 0 HA ILE A 84 -7.819 11.808 -14.142 1.00 70.30 H new ATOM 0 HB ILE A 84 -9.679 12.859 -16.316 1.00 70.12 H new ATOM 0 HG12 ILE A 84 -9.543 13.865 -13.483 1.00 44.55 H new ATOM 0 HG13 ILE A 84 -8.346 14.411 -14.641 1.00 44.55 H new ATOM 0 HG21 ILE A 84 -11.498 12.350 -14.735 1.00 53.11 H new ATOM 0 HG22 ILE A 84 -10.623 10.880 -15.226 1.00 53.11 H new ATOM 0 HG23 ILE A 84 -10.322 11.603 -13.628 1.00 53.11 H new ATOM 0 HD11 ILE A 84 -10.220 15.978 -14.513 1.00 51.31 H new ATOM 0 HD12 ILE A 84 -10.139 15.232 -16.127 1.00 51.31 H new ATOM 0 HD13 ILE A 84 -11.354 14.678 -14.951 1.00 51.31 H new ATOM 1314 N VAL A 85 -8.414 10.567 -17.163 1.00 23.34 N ATOM 1315 CA VAL A 85 -8.559 9.325 -17.913 1.00 2.13 C ATOM 1316 C VAL A 85 -7.393 8.381 -17.642 1.00 70.32 C ATOM 1317 O VAL A 85 -7.530 7.162 -17.745 1.00 75.44 O ATOM 1318 CB VAL A 85 -8.648 9.590 -19.428 1.00 3.41 C ATOM 1319 CG1 VAL A 85 -8.760 8.281 -20.193 1.00 43.44 C ATOM 1320 CG2 VAL A 85 -9.824 10.503 -19.739 1.00 42.34 C ATOM 0 H VAL A 85 -8.464 11.412 -17.733 1.00 23.34 H new ATOM 0 HA VAL A 85 -9.486 8.860 -17.578 1.00 2.13 H new ATOM 0 HB VAL A 85 -7.734 10.091 -19.747 1.00 3.41 H new ATOM 0 HG11 VAL A 85 -8.822 8.488 -21.261 1.00 43.44 H new ATOM 0 HG12 VAL A 85 -7.882 7.666 -19.993 1.00 43.44 H new ATOM 0 HG13 VAL A 85 -9.656 7.749 -19.874 1.00 43.44 H new ATOM 0 HG21 VAL A 85 -9.873 10.680 -20.813 1.00 42.34 H new ATOM 0 HG22 VAL A 85 -10.749 10.031 -19.407 1.00 42.34 H new ATOM 0 HG23 VAL A 85 -9.694 11.453 -19.220 1.00 42.34 H new ATOM 1330 N THR A 86 -6.244 8.951 -17.294 1.00 21.44 N ATOM 1331 CA THR A 86 -5.054 8.161 -17.008 1.00 22.15 C ATOM 1332 C THR A 86 -5.191 7.417 -15.684 1.00 43.23 C ATOM 1333 O THR A 86 -5.062 6.193 -15.632 1.00 22.13 O ATOM 1334 CB THR A 86 -3.792 9.044 -16.959 1.00 34.30 C ATOM 1335 OG1 THR A 86 -3.589 9.680 -18.225 1.00 64.24 O ATOM 1336 CG2 THR A 86 -2.566 8.217 -16.598 1.00 44.25 C ATOM 0 H THR A 86 -6.113 9.958 -17.203 1.00 21.44 H new ATOM 0 HA THR A 86 -4.953 7.439 -17.818 1.00 22.15 H new ATOM 0 HB THR A 86 -3.937 9.804 -16.191 1.00 34.30 H new ATOM 0 HG1 THR A 86 -4.299 10.337 -18.379 1.00 64.24 H new ATOM 0 HG21 THR A 86 -1.688 8.862 -16.570 1.00 44.25 H new ATOM 0 HG22 THR A 86 -2.711 7.759 -15.620 1.00 44.25 H new ATOM 0 HG23 THR A 86 -2.420 7.438 -17.346 1.00 44.25 H new ATOM 1344 N LEU A 87 -5.456 8.164 -14.617 1.00 74.14 N ATOM 1345 CA LEU A 87 -5.612 7.574 -13.293 1.00 55.42 C ATOM 1346 C LEU A 87 -6.674 6.477 -13.306 1.00 24.15 C ATOM 1347 O LEU A 87 -6.585 5.503 -12.559 1.00 42.31 O ATOM 1348 CB LEU A 87 -5.990 8.651 -12.274 1.00 63.30 C ATOM 1349 CG LEU A 87 -4.834 9.247 -11.468 1.00 54.55 C ATOM 1350 CD1 LEU A 87 -5.326 10.395 -10.601 1.00 30.04 C ATOM 1351 CD2 LEU A 87 -4.173 8.175 -10.613 1.00 51.52 C ATOM 0 H LEU A 87 -5.567 9.178 -14.644 1.00 74.14 H new ATOM 0 HA LEU A 87 -4.659 7.129 -13.007 1.00 55.42 H new ATOM 0 HB2 LEU A 87 -6.495 9.461 -12.801 1.00 63.30 H new ATOM 0 HB3 LEU A 87 -6.712 8.226 -11.577 1.00 63.30 H new ATOM 0 HG LEU A 87 -4.092 9.637 -12.165 1.00 54.55 H new ATOM 0 HD11 LEU A 87 -4.491 10.807 -10.035 1.00 30.04 H new ATOM 0 HD12 LEU A 87 -5.753 11.172 -11.235 1.00 30.04 H new ATOM 0 HD13 LEU A 87 -6.087 10.030 -9.911 1.00 30.04 H new ATOM 0 HD21 LEU A 87 -3.353 8.616 -10.046 1.00 51.52 H new ATOM 0 HD22 LEU A 87 -4.906 7.756 -9.924 1.00 51.52 H new ATOM 0 HD23 LEU A 87 -3.786 7.384 -11.256 1.00 51.52 H new ATOM 1363 N LYS A 88 -7.676 6.643 -14.161 1.00 43.03 N ATOM 1364 CA LYS A 88 -8.754 5.667 -14.277 1.00 14.22 C ATOM 1365 C LYS A 88 -8.260 4.388 -14.945 1.00 72.21 C ATOM 1366 O LYS A 88 -8.282 3.313 -14.344 1.00 5.12 O ATOM 1367 CB LYS A 88 -9.919 6.255 -15.074 1.00 61.25 C ATOM 1368 CG LYS A 88 -10.655 7.368 -14.348 1.00 72.11 C ATOM 1369 CD LYS A 88 -11.983 7.685 -15.012 1.00 43.25 C ATOM 1370 CE LYS A 88 -12.692 8.839 -14.320 1.00 31.03 C ATOM 1371 NZ LYS A 88 -13.690 9.493 -15.211 1.00 21.34 N ATOM 0 H LYS A 88 -7.765 7.445 -14.785 1.00 43.03 H new ATOM 0 HA LYS A 88 -9.098 5.421 -13.272 1.00 14.22 H new ATOM 0 HB2 LYS A 88 -9.542 6.639 -16.022 1.00 61.25 H new ATOM 0 HB3 LYS A 88 -10.625 5.459 -15.310 1.00 61.25 H new ATOM 0 HG2 LYS A 88 -10.826 7.076 -13.312 1.00 72.11 H new ATOM 0 HG3 LYS A 88 -10.034 8.264 -14.329 1.00 72.11 H new ATOM 0 HD2 LYS A 88 -11.816 7.935 -16.060 1.00 43.25 H new ATOM 0 HD3 LYS A 88 -12.621 6.801 -14.993 1.00 43.25 H new ATOM 0 HE2 LYS A 88 -13.191 8.473 -13.423 1.00 31.03 H new ATOM 0 HE3 LYS A 88 -11.956 9.576 -13.997 1.00 31.03 H new ATOM 0 HZ1 LYS A 88 -14.151 10.274 -14.702 1.00 21.34 H new ATOM 0 HZ2 LYS A 88 -13.210 9.865 -16.055 1.00 21.34 H new ATOM 0 HZ3 LYS A 88 -14.407 8.797 -15.499 1.00 21.34 H new ATOM 1385 N VAL A 89 -7.813 4.511 -16.191 1.00 41.00 N ATOM 1386 CA VAL A 89 -7.312 3.365 -16.940 1.00 21.01 C ATOM 1387 C VAL A 89 -6.168 2.682 -16.198 1.00 53.44 C ATOM 1388 O VAL A 89 -5.900 1.499 -16.405 1.00 72.31 O ATOM 1389 CB VAL A 89 -6.825 3.780 -18.341 1.00 3.31 C ATOM 1390 CG1 VAL A 89 -7.934 4.490 -19.103 1.00 22.55 C ATOM 1391 CG2 VAL A 89 -5.589 4.662 -18.236 1.00 42.32 C ATOM 0 H VAL A 89 -7.788 5.393 -16.703 1.00 41.00 H new ATOM 0 HA VAL A 89 -8.142 2.667 -17.044 1.00 21.01 H new ATOM 0 HB VAL A 89 -6.555 2.880 -18.894 1.00 3.31 H new ATOM 0 HG11 VAL A 89 -7.572 4.776 -20.090 1.00 22.55 H new ATOM 0 HG12 VAL A 89 -8.788 3.821 -19.209 1.00 22.55 H new ATOM 0 HG13 VAL A 89 -8.238 5.382 -18.556 1.00 22.55 H new ATOM 0 HG21 VAL A 89 -5.259 4.946 -19.235 1.00 42.32 H new ATOM 0 HG22 VAL A 89 -5.829 5.559 -17.665 1.00 42.32 H new ATOM 0 HG23 VAL A 89 -4.793 4.114 -17.733 1.00 42.32 H new ATOM 1401 N PHE A 90 -5.498 3.436 -15.333 1.00 61.31 N ATOM 1402 CA PHE A 90 -4.381 2.903 -14.560 1.00 41.13 C ATOM 1403 C PHE A 90 -4.883 2.037 -13.407 1.00 4.34 C ATOM 1404 O PHE A 90 -4.332 0.971 -13.133 1.00 44.31 O ATOM 1405 CB PHE A 90 -3.518 4.043 -14.019 1.00 3.44 C ATOM 1406 CG PHE A 90 -2.218 3.582 -13.424 1.00 50.50 C ATOM 1407 CD1 PHE A 90 -1.340 2.807 -14.163 1.00 11.03 C ATOM 1408 CD2 PHE A 90 -1.876 3.922 -12.125 1.00 4.34 C ATOM 1409 CE1 PHE A 90 -0.143 2.380 -13.618 1.00 33.13 C ATOM 1410 CE2 PHE A 90 -0.681 3.499 -11.575 1.00 22.24 C ATOM 1411 CZ PHE A 90 0.186 2.727 -12.322 1.00 62.22 C ATOM 0 H PHE A 90 -5.708 4.417 -15.149 1.00 61.31 H new ATOM 0 HA PHE A 90 -3.776 2.282 -15.221 1.00 41.13 H new ATOM 0 HB2 PHE A 90 -3.310 4.745 -14.827 1.00 3.44 H new ATOM 0 HB3 PHE A 90 -4.082 4.587 -13.261 1.00 3.44 H new ATOM 0 HD1 PHE A 90 -1.593 2.533 -15.177 1.00 11.03 H new ATOM 0 HD2 PHE A 90 -2.551 4.525 -11.536 1.00 4.34 H new ATOM 0 HE1 PHE A 90 0.534 1.776 -14.205 1.00 33.13 H new ATOM 0 HE2 PHE A 90 -0.426 3.772 -10.562 1.00 22.24 H new ATOM 0 HZ PHE A 90 1.120 2.395 -11.894 1.00 62.22 H new ATOM 1421 N ALA A 91 -5.929 2.506 -12.736 1.00 2.22 N ATOM 1422 CA ALA A 91 -6.506 1.775 -11.613 1.00 5.52 C ATOM 1423 C ALA A 91 -7.155 0.477 -12.079 1.00 63.10 C ATOM 1424 O ALA A 91 -7.070 -0.549 -11.404 1.00 14.34 O ATOM 1425 CB ALA A 91 -7.521 2.644 -10.884 1.00 71.05 C ATOM 0 H ALA A 91 -6.395 3.388 -12.950 1.00 2.22 H new ATOM 0 HA ALA A 91 -5.701 1.520 -10.924 1.00 5.52 H new ATOM 0 HB1 ALA A 91 -7.944 2.086 -10.048 1.00 71.05 H new ATOM 0 HB2 ALA A 91 -7.029 3.542 -10.509 1.00 71.05 H new ATOM 0 HB3 ALA A 91 -8.318 2.927 -11.572 1.00 71.05 H new ATOM 1431 N VAL A 92 -7.805 0.527 -13.238 1.00 5.11 N ATOM 1432 CA VAL A 92 -8.469 -0.645 -13.795 1.00 34.12 C ATOM 1433 C VAL A 92 -7.462 -1.591 -14.441 1.00 0.21 C ATOM 1434 O VAL A 92 -7.317 -2.739 -14.022 1.00 64.55 O ATOM 1435 CB VAL A 92 -9.527 -0.248 -14.840 1.00 50.41 C ATOM 1436 CG1 VAL A 92 -10.303 -1.471 -15.305 1.00 45.43 C ATOM 1437 CG2 VAL A 92 -10.467 0.806 -14.272 1.00 34.15 C ATOM 0 H VAL A 92 -7.886 1.368 -13.810 1.00 5.11 H new ATOM 0 HA VAL A 92 -8.962 -1.153 -12.966 1.00 34.12 H new ATOM 0 HB VAL A 92 -9.018 0.180 -15.704 1.00 50.41 H new ATOM 0 HG11 VAL A 92 -11.046 -1.171 -16.043 1.00 45.43 H new ATOM 0 HG12 VAL A 92 -9.616 -2.189 -15.753 1.00 45.43 H new ATOM 0 HG13 VAL A 92 -10.803 -1.930 -14.452 1.00 45.43 H new ATOM 0 HG21 VAL A 92 -11.209 1.075 -15.024 1.00 34.15 H new ATOM 0 HG22 VAL A 92 -10.971 0.407 -13.392 1.00 34.15 H new ATOM 0 HG23 VAL A 92 -9.895 1.691 -13.993 1.00 34.15 H new ATOM 1447 N ALA A 93 -6.769 -1.100 -15.463 1.00 45.34 N ATOM 1448 CA ALA A 93 -5.775 -1.900 -16.167 1.00 14.10 C ATOM 1449 C ALA A 93 -4.616 -2.269 -15.246 1.00 61.02 C ATOM 1450 O ALA A 93 -3.815 -3.149 -15.561 1.00 4.05 O ATOM 1451 CB ALA A 93 -5.262 -1.153 -17.388 1.00 4.50 C ATOM 0 H ALA A 93 -6.878 -0.151 -15.822 1.00 45.34 H new ATOM 0 HA ALA A 93 -6.254 -2.822 -16.495 1.00 14.10 H new ATOM 0 HB1 ALA A 93 -4.520 -1.764 -17.903 1.00 4.50 H new ATOM 0 HB2 ALA A 93 -6.092 -0.945 -18.063 1.00 4.50 H new ATOM 0 HB3 ALA A 93 -4.805 -0.214 -17.075 1.00 4.50 H new ATOM 1457 N GLY A 94 -4.533 -1.591 -14.105 1.00 51.40 N ATOM 1458 CA GLY A 94 -3.469 -1.862 -13.157 1.00 21.13 C ATOM 1459 C GLY A 94 -3.931 -2.721 -11.996 1.00 22.31 C ATOM 1460 O GLY A 94 -3.581 -3.899 -11.909 1.00 72.23 O ATOM 0 H GLY A 94 -5.184 -0.859 -13.821 1.00 51.40 H new ATOM 0 HA2 GLY A 94 -2.648 -2.362 -13.671 1.00 21.13 H new ATOM 0 HA3 GLY A 94 -3.079 -0.919 -12.774 1.00 21.13 H new ATOM 1464 N LEU A 95 -4.716 -2.133 -11.102 1.00 2.32 N ATOM 1465 CA LEU A 95 -5.226 -2.852 -9.940 1.00 11.12 C ATOM 1466 C LEU A 95 -6.048 -4.064 -10.366 1.00 31.43 C ATOM 1467 O LEU A 95 -5.937 -5.140 -9.777 1.00 60.13 O ATOM 1468 CB LEU A 95 -6.079 -1.922 -9.074 1.00 32.10 C ATOM 1469 CG LEU A 95 -5.760 -1.918 -7.578 1.00 25.41 C ATOM 1470 CD1 LEU A 95 -5.747 -3.337 -7.031 1.00 30.11 C ATOM 1471 CD2 LEU A 95 -4.426 -1.233 -7.320 1.00 31.22 C ATOM 0 H LEU A 95 -5.014 -1.159 -11.159 1.00 2.32 H new ATOM 0 HA LEU A 95 -4.374 -3.201 -9.357 1.00 11.12 H new ATOM 0 HB2 LEU A 95 -5.970 -0.905 -9.451 1.00 32.10 H new ATOM 0 HB3 LEU A 95 -7.126 -2.198 -9.201 1.00 32.10 H new ATOM 0 HG LEU A 95 -6.540 -1.359 -7.061 1.00 25.41 H new ATOM 0 HD11 LEU A 95 -5.518 -3.314 -5.966 1.00 30.11 H new ATOM 0 HD12 LEU A 95 -6.725 -3.794 -7.183 1.00 30.11 H new ATOM 0 HD13 LEU A 95 -4.989 -3.921 -7.552 1.00 30.11 H new ATOM 0 HD21 LEU A 95 -4.215 -1.239 -6.251 1.00 31.22 H new ATOM 0 HD22 LEU A 95 -3.635 -1.765 -7.849 1.00 31.22 H new ATOM 0 HD23 LEU A 95 -4.471 -0.203 -7.675 1.00 31.22 H new ATOM 1483 N LEU A 96 -6.869 -3.883 -11.395 1.00 11.24 N ATOM 1484 CA LEU A 96 -7.707 -4.963 -11.903 1.00 51.30 C ATOM 1485 C LEU A 96 -6.994 -5.733 -13.009 1.00 63.22 C ATOM 1486 O LEU A 96 -7.498 -6.742 -13.501 1.00 21.34 O ATOM 1487 CB LEU A 96 -9.032 -4.403 -12.426 1.00 62.52 C ATOM 1488 CG LEU A 96 -10.293 -4.879 -11.706 1.00 61.25 C ATOM 1489 CD1 LEU A 96 -10.516 -4.077 -10.434 1.00 3.23 C ATOM 1490 CD2 LEU A 96 -11.503 -4.775 -12.624 1.00 23.34 C ATOM 0 H LEU A 96 -6.972 -2.999 -11.893 1.00 11.24 H new ATOM 0 HA LEU A 96 -7.909 -5.650 -11.081 1.00 51.30 H new ATOM 0 HB2 LEU A 96 -8.992 -3.315 -12.366 1.00 62.52 H new ATOM 0 HB3 LEU A 96 -9.121 -4.661 -13.481 1.00 62.52 H new ATOM 0 HG LEU A 96 -10.159 -5.925 -11.432 1.00 61.25 H new ATOM 0 HD11 LEU A 96 -11.418 -4.430 -9.935 1.00 3.23 H new ATOM 0 HD12 LEU A 96 -9.661 -4.203 -9.770 1.00 3.23 H new ATOM 0 HD13 LEU A 96 -10.629 -3.022 -10.684 1.00 3.23 H new ATOM 0 HD21 LEU A 96 -12.392 -5.118 -12.095 1.00 23.34 H new ATOM 0 HD22 LEU A 96 -11.640 -3.738 -12.929 1.00 23.34 H new ATOM 0 HD23 LEU A 96 -11.344 -5.395 -13.507 1.00 23.34 H new ATOM 1502 N ASN A 97 -5.817 -5.249 -13.394 1.00 75.40 N ATOM 1503 CA ASN A 97 -5.032 -5.893 -14.441 1.00 63.05 C ATOM 1504 C ASN A 97 -5.882 -6.137 -15.685 1.00 61.11 C ATOM 1505 O ASN A 97 -5.659 -7.095 -16.424 1.00 73.02 O ATOM 1506 CB ASN A 97 -4.457 -7.218 -13.936 1.00 12.14 C ATOM 1507 CG ASN A 97 -3.711 -7.061 -12.626 1.00 13.54 C ATOM 1508 OD1 ASN A 97 -2.684 -6.386 -12.559 1.00 72.55 O ATOM 1509 ND2 ASN A 97 -4.227 -7.686 -11.573 1.00 71.35 N ATOM 0 H ASN A 97 -5.386 -4.414 -12.997 1.00 75.40 H new ATOM 0 HA ASN A 97 -4.211 -5.227 -14.707 1.00 63.05 H new ATOM 0 HB2 ASN A 97 -5.266 -7.937 -13.806 1.00 12.14 H new ATOM 0 HB3 ASN A 97 -3.783 -7.629 -14.688 1.00 12.14 H new ATOM 0 HD21 ASN A 97 -3.769 -7.617 -10.664 1.00 71.35 H new ATOM 0 HD22 ASN A 97 -5.081 -8.235 -11.674 1.00 71.35 H new ATOM 1516 N MET A 98 -6.857 -5.262 -15.911 1.00 0.15 N ATOM 1517 CA MET A 98 -7.739 -5.381 -17.066 1.00 32.43 C ATOM 1518 C MET A 98 -6.998 -5.032 -18.353 1.00 42.51 C ATOM 1519 O MET A 98 -6.138 -4.151 -18.367 1.00 2.33 O ATOM 1520 CB MET A 98 -8.957 -4.471 -16.900 1.00 24.33 C ATOM 1521 CG MET A 98 -10.270 -5.227 -16.776 1.00 31.43 C ATOM 1522 SD MET A 98 -11.146 -5.358 -18.346 1.00 42.44 S ATOM 1523 CE MET A 98 -10.787 -7.055 -18.794 1.00 24.12 C ATOM 0 H MET A 98 -7.056 -4.463 -15.309 1.00 0.15 H new ATOM 0 HA MET A 98 -8.075 -6.416 -17.131 1.00 32.43 H new ATOM 0 HB2 MET A 98 -8.819 -3.852 -16.014 1.00 24.33 H new ATOM 0 HB3 MET A 98 -9.015 -3.797 -17.754 1.00 24.33 H new ATOM 0 HG2 MET A 98 -10.074 -6.227 -16.389 1.00 31.43 H new ATOM 0 HG3 MET A 98 -10.908 -4.723 -16.049 1.00 31.43 H new ATOM 0 HE1 MET A 98 -10.837 -7.164 -19.877 1.00 24.12 H new ATOM 0 HE2 MET A 98 -9.788 -7.319 -18.448 1.00 24.12 H new ATOM 0 HE3 MET A 98 -11.518 -7.716 -18.329 1.00 24.12 H new ATOM 1533 N THR A 99 -7.339 -5.727 -19.434 1.00 15.52 N ATOM 1534 CA THR A 99 -6.705 -5.491 -20.725 1.00 53.13 C ATOM 1535 C THR A 99 -7.382 -4.344 -21.467 1.00 51.04 C ATOM 1536 O THR A 99 -7.945 -4.536 -22.545 1.00 22.24 O ATOM 1537 CB THR A 99 -6.743 -6.753 -21.608 1.00 12.04 C ATOM 1538 OG1 THR A 99 -6.231 -6.454 -22.911 1.00 0.04 O ATOM 1539 CG2 THR A 99 -8.162 -7.289 -21.726 1.00 53.01 C ATOM 0 H THR A 99 -8.051 -6.458 -19.441 1.00 15.52 H new ATOM 0 HA THR A 99 -5.666 -5.228 -20.525 1.00 53.13 H new ATOM 0 HB THR A 99 -6.121 -7.516 -21.140 1.00 12.04 H new ATOM 0 HG1 THR A 99 -6.802 -5.783 -23.341 1.00 0.04 H new ATOM 0 HG21 THR A 99 -8.163 -8.180 -22.354 1.00 53.01 H new ATOM 0 HG22 THR A 99 -8.539 -7.543 -20.735 1.00 53.01 H new ATOM 0 HG23 THR A 99 -8.802 -6.529 -22.174 1.00 53.01 H new ATOM 1547 N VAL A 100 -7.324 -3.152 -20.884 1.00 25.31 N ATOM 1548 CA VAL A 100 -7.929 -1.973 -21.492 1.00 64.10 C ATOM 1549 C VAL A 100 -7.489 -1.815 -22.943 1.00 61.12 C ATOM 1550 O VAL A 100 -6.342 -2.098 -23.289 1.00 3.22 O ATOM 1551 CB VAL A 100 -7.569 -0.693 -20.715 1.00 42.10 C ATOM 1552 CG1 VAL A 100 -8.179 0.529 -21.387 1.00 34.32 C ATOM 1553 CG2 VAL A 100 -8.028 -0.801 -19.269 1.00 30.11 C ATOM 0 H VAL A 100 -6.864 -2.977 -19.991 1.00 25.31 H new ATOM 0 HA VAL A 100 -9.009 -2.118 -21.457 1.00 64.10 H new ATOM 0 HB VAL A 100 -6.485 -0.578 -20.720 1.00 42.10 H new ATOM 0 HG11 VAL A 100 -7.914 1.424 -20.824 1.00 34.32 H new ATOM 0 HG12 VAL A 100 -7.797 0.614 -22.404 1.00 34.32 H new ATOM 0 HG13 VAL A 100 -9.264 0.426 -21.415 1.00 34.32 H new ATOM 0 HG21 VAL A 100 -7.765 0.112 -18.735 1.00 30.11 H new ATOM 0 HG22 VAL A 100 -9.109 -0.941 -19.240 1.00 30.11 H new ATOM 0 HG23 VAL A 100 -7.539 -1.652 -18.795 1.00 30.11 H new ATOM 1563 N SER A 101 -8.408 -1.360 -23.789 1.00 61.42 N ATOM 1564 CA SER A 101 -8.115 -1.167 -25.204 1.00 3.50 C ATOM 1565 C SER A 101 -7.942 0.315 -25.527 1.00 54.21 C ATOM 1566 O SER A 101 -7.069 0.695 -26.307 1.00 44.45 O ATOM 1567 CB SER A 101 -9.234 -1.761 -26.063 1.00 23.45 C ATOM 1568 OG SER A 101 -9.211 -3.176 -26.022 1.00 55.43 O ATOM 0 H SER A 101 -9.361 -1.118 -23.519 1.00 61.42 H new ATOM 0 HA SER A 101 -7.181 -1.681 -25.430 1.00 3.50 H new ATOM 0 HB2 SER A 101 -10.199 -1.399 -25.709 1.00 23.45 H new ATOM 0 HB3 SER A 101 -9.125 -1.422 -27.093 1.00 23.45 H new ATOM 0 HG SER A 101 -9.936 -3.531 -26.577 1.00 55.43 H new ATOM 1574 N THR A 102 -8.782 1.147 -24.919 1.00 44.24 N ATOM 1575 CA THR A 102 -8.725 2.587 -25.141 1.00 22.43 C ATOM 1576 C THR A 102 -8.951 3.353 -23.842 1.00 40.24 C ATOM 1577 O THR A 102 -9.719 2.921 -22.983 1.00 13.44 O ATOM 1578 CB THR A 102 -9.770 3.037 -26.178 1.00 45.22 C ATOM 1579 OG1 THR A 102 -11.086 2.692 -25.730 1.00 30.33 O ATOM 1580 CG2 THR A 102 -9.505 2.393 -27.530 1.00 60.12 C ATOM 0 H THR A 102 -9.510 0.849 -24.269 1.00 44.24 H new ATOM 0 HA THR A 102 -7.728 2.809 -25.521 1.00 22.43 H new ATOM 0 HB THR A 102 -9.696 4.119 -26.288 1.00 45.22 H new ATOM 0 HG1 THR A 102 -11.745 2.983 -26.395 1.00 30.33 H new ATOM 0 HG21 THR A 102 -10.257 2.727 -28.245 1.00 60.12 H new ATOM 0 HG22 THR A 102 -8.515 2.682 -27.883 1.00 60.12 H new ATOM 0 HG23 THR A 102 -9.553 1.308 -27.432 1.00 60.12 H new ATOM 1588 N ALA A 103 -8.279 4.490 -23.707 1.00 1.32 N ATOM 1589 CA ALA A 103 -8.409 5.318 -22.514 1.00 14.24 C ATOM 1590 C ALA A 103 -9.875 5.603 -22.201 1.00 33.32 C ATOM 1591 O ALA A 103 -10.270 5.663 -21.037 1.00 61.13 O ATOM 1592 CB ALA A 103 -7.642 6.620 -22.688 1.00 73.20 C ATOM 0 H ALA A 103 -7.638 4.860 -24.409 1.00 1.32 H new ATOM 0 HA ALA A 103 -7.984 4.769 -21.673 1.00 14.24 H new ATOM 0 HB1 ALA A 103 -7.748 7.228 -21.789 1.00 73.20 H new ATOM 0 HB2 ALA A 103 -6.587 6.401 -22.856 1.00 73.20 H new ATOM 0 HB3 ALA A 103 -8.040 7.165 -23.544 1.00 73.20 H new ATOM 1598 N ALA A 104 -10.675 5.778 -23.247 1.00 71.13 N ATOM 1599 CA ALA A 104 -12.096 6.054 -23.083 1.00 2.54 C ATOM 1600 C ALA A 104 -12.850 4.810 -22.625 1.00 71.41 C ATOM 1601 O ALA A 104 -13.729 4.885 -21.768 1.00 0.03 O ATOM 1602 CB ALA A 104 -12.685 6.581 -24.383 1.00 42.03 C ATOM 0 H ALA A 104 -10.363 5.733 -24.217 1.00 71.13 H new ATOM 0 HA ALA A 104 -12.205 6.816 -22.311 1.00 2.54 H new ATOM 0 HB1 ALA A 104 -13.747 6.783 -24.246 1.00 42.03 H new ATOM 0 HB2 ALA A 104 -12.175 7.501 -24.667 1.00 42.03 H new ATOM 0 HB3 ALA A 104 -12.556 5.837 -25.169 1.00 42.03 H new ATOM 1608 N ALA A 105 -12.499 3.666 -23.204 1.00 70.11 N ATOM 1609 CA ALA A 105 -13.141 2.405 -22.854 1.00 34.12 C ATOM 1610 C ALA A 105 -13.004 2.114 -21.363 1.00 74.11 C ATOM 1611 O ALA A 105 -13.970 1.733 -20.705 1.00 13.32 O ATOM 1612 CB ALA A 105 -12.549 1.266 -23.673 1.00 2.43 C ATOM 0 H ALA A 105 -11.774 3.587 -23.917 1.00 70.11 H new ATOM 0 HA ALA A 105 -14.203 2.490 -23.085 1.00 34.12 H new ATOM 0 HB1 ALA A 105 -13.038 0.330 -23.401 1.00 2.43 H new ATOM 0 HB2 ALA A 105 -12.704 1.462 -24.734 1.00 2.43 H new ATOM 0 HB3 ALA A 105 -11.481 1.189 -23.471 1.00 2.43 H new ATOM 1618 N ALA A 106 -11.796 2.296 -20.838 1.00 63.03 N ATOM 1619 CA ALA A 106 -11.533 2.054 -19.425 1.00 44.24 C ATOM 1620 C ALA A 106 -12.252 3.076 -18.551 1.00 55.40 C ATOM 1621 O ALA A 106 -12.856 2.723 -17.538 1.00 10.01 O ATOM 1622 CB ALA A 106 -10.036 2.085 -19.153 1.00 44.35 C ATOM 0 H ALA A 106 -10.985 2.610 -21.370 1.00 63.03 H new ATOM 0 HA ALA A 106 -11.916 1.065 -19.174 1.00 44.24 H new ATOM 0 HB1 ALA A 106 -9.855 1.903 -18.094 1.00 44.35 H new ATOM 0 HB2 ALA A 106 -9.543 1.313 -19.744 1.00 44.35 H new ATOM 0 HB3 ALA A 106 -9.637 3.062 -19.427 1.00 44.35 H new ATOM 1628 N GLU A 107 -12.182 4.342 -18.947 1.00 43.15 N ATOM 1629 CA GLU A 107 -12.826 5.414 -18.197 1.00 62.44 C ATOM 1630 C GLU A 107 -14.327 5.167 -18.074 1.00 34.15 C ATOM 1631 O GLU A 107 -14.910 5.344 -17.006 1.00 12.40 O ATOM 1632 CB GLU A 107 -12.575 6.763 -18.875 1.00 62.02 C ATOM 1633 CG GLU A 107 -13.273 7.927 -18.192 1.00 51.41 C ATOM 1634 CD GLU A 107 -14.481 8.419 -18.967 1.00 34.23 C ATOM 1635 OE1 GLU A 107 -15.609 8.306 -18.442 1.00 31.43 O ATOM 1636 OE2 GLU A 107 -14.298 8.918 -20.097 1.00 52.12 O ATOM 0 H GLU A 107 -11.686 4.651 -19.783 1.00 43.15 H new ATOM 0 HA GLU A 107 -12.395 5.432 -17.196 1.00 62.44 H new ATOM 0 HB2 GLU A 107 -11.502 6.955 -18.896 1.00 62.02 H new ATOM 0 HB3 GLU A 107 -12.909 6.707 -19.911 1.00 62.02 H new ATOM 0 HG2 GLU A 107 -13.586 7.623 -17.193 1.00 51.41 H new ATOM 0 HG3 GLU A 107 -12.566 8.748 -18.068 1.00 51.41 H new ATOM 1643 N ASN A 108 -14.946 4.756 -19.176 1.00 73.44 N ATOM 1644 CA ASN A 108 -16.379 4.484 -19.192 1.00 2.02 C ATOM 1645 C ASN A 108 -16.728 3.350 -18.233 1.00 53.21 C ATOM 1646 O ASN A 108 -17.657 3.465 -17.433 1.00 72.32 O ATOM 1647 CB ASN A 108 -16.836 4.128 -20.608 1.00 25.21 C ATOM 1648 CG ASN A 108 -17.799 5.152 -21.179 1.00 53.13 C ATOM 1649 OD1 ASN A 108 -17.448 5.916 -22.077 1.00 4.24 O ATOM 1650 ND2 ASN A 108 -19.020 5.169 -20.658 1.00 4.14 N ATOM 0 H ASN A 108 -14.478 4.604 -20.069 1.00 73.44 H new ATOM 0 HA ASN A 108 -16.898 5.385 -18.866 1.00 2.02 H new ATOM 0 HB2 ASN A 108 -15.965 4.049 -21.259 1.00 25.21 H new ATOM 0 HB3 ASN A 108 -17.315 3.149 -20.597 1.00 25.21 H new ATOM 0 HD21 ASN A 108 -19.712 5.835 -21.002 1.00 4.14 H new ATOM 0 HD22 ASN A 108 -19.266 4.516 -19.914 1.00 4.14 H new ATOM 1657 N MET A 109 -15.978 2.257 -18.320 1.00 12.53 N ATOM 1658 CA MET A 109 -16.207 1.102 -17.458 1.00 44.45 C ATOM 1659 C MET A 109 -15.928 1.449 -15.999 1.00 22.21 C ATOM 1660 O MET A 109 -16.607 0.962 -15.094 1.00 24.43 O ATOM 1661 CB MET A 109 -15.326 -0.069 -17.895 1.00 73.04 C ATOM 1662 CG MET A 109 -15.758 -1.405 -17.309 1.00 63.21 C ATOM 1663 SD MET A 109 -14.425 -2.238 -16.425 1.00 2.42 S ATOM 1664 CE MET A 109 -15.360 -3.224 -15.257 1.00 32.32 C ATOM 0 H MET A 109 -15.207 2.146 -18.978 1.00 12.53 H new ATOM 0 HA MET A 109 -17.254 0.813 -17.549 1.00 44.45 H new ATOM 0 HB2 MET A 109 -15.339 -0.137 -18.983 1.00 73.04 H new ATOM 0 HB3 MET A 109 -14.296 0.132 -17.601 1.00 73.04 H new ATOM 0 HG2 MET A 109 -16.596 -1.246 -16.630 1.00 63.21 H new ATOM 0 HG3 MET A 109 -16.116 -2.051 -18.111 1.00 63.21 H new ATOM 0 HE1 MET A 109 -14.674 -3.799 -14.635 1.00 32.32 H new ATOM 0 HE2 MET A 109 -15.959 -2.568 -14.625 1.00 32.32 H new ATOM 0 HE3 MET A 109 -16.016 -3.905 -15.799 1.00 32.32 H new ATOM 1674 N TYR A 110 -14.925 2.291 -15.778 1.00 24.40 N ATOM 1675 CA TYR A 110 -14.553 2.700 -14.429 1.00 73.20 C ATOM 1676 C TYR A 110 -15.729 3.362 -13.717 1.00 45.04 C ATOM 1677 O TYR A 110 -16.062 3.011 -12.585 1.00 23.10 O ATOM 1678 CB TYR A 110 -13.363 3.660 -14.473 1.00 33.21 C ATOM 1679 CG TYR A 110 -12.733 3.906 -13.121 1.00 34.11 C ATOM 1680 CD1 TYR A 110 -12.636 5.190 -12.602 1.00 32.14 C ATOM 1681 CD2 TYR A 110 -12.233 2.853 -12.363 1.00 64.35 C ATOM 1682 CE1 TYR A 110 -12.059 5.420 -11.367 1.00 44.42 C ATOM 1683 CE2 TYR A 110 -11.657 3.073 -11.128 1.00 11.32 C ATOM 1684 CZ TYR A 110 -11.572 4.358 -10.634 1.00 12.31 C ATOM 1685 OH TYR A 110 -10.998 4.582 -9.403 1.00 70.24 O ATOM 0 H TYR A 110 -14.355 2.704 -16.516 1.00 24.40 H new ATOM 0 HA TYR A 110 -14.270 1.807 -13.872 1.00 73.20 H new ATOM 0 HB2 TYR A 110 -12.608 3.258 -15.149 1.00 33.21 H new ATOM 0 HB3 TYR A 110 -13.690 4.612 -14.891 1.00 33.21 H new ATOM 0 HD1 TYR A 110 -13.018 6.023 -13.173 1.00 32.14 H new ATOM 0 HD2 TYR A 110 -12.296 1.846 -12.747 1.00 64.35 H new ATOM 0 HE1 TYR A 110 -11.990 6.425 -10.978 1.00 44.42 H new ATOM 0 HE2 TYR A 110 -11.275 2.243 -10.552 1.00 11.32 H new ATOM 0 HH TYR A 110 -10.707 3.729 -9.018 1.00 70.24 H new ATOM 1695 N SER A 111 -16.355 4.322 -14.390 1.00 60.10 N ATOM 1696 CA SER A 111 -17.493 5.036 -13.823 1.00 23.34 C ATOM 1697 C SER A 111 -18.762 4.194 -13.909 1.00 31.21 C ATOM 1698 O SER A 111 -19.630 4.271 -13.040 1.00 2.34 O ATOM 1699 CB SER A 111 -17.700 6.367 -14.549 1.00 65.24 C ATOM 1700 OG SER A 111 -18.372 6.175 -15.783 1.00 60.41 O ATOM 0 H SER A 111 -16.093 4.623 -15.329 1.00 60.10 H new ATOM 0 HA SER A 111 -17.280 5.232 -12.772 1.00 23.34 H new ATOM 0 HB2 SER A 111 -18.277 7.043 -13.918 1.00 65.24 H new ATOM 0 HB3 SER A 111 -16.735 6.842 -14.727 1.00 65.24 H new ATOM 0 HG SER A 111 -18.494 7.040 -16.227 1.00 60.41 H new ATOM 1706 N GLN A 112 -18.860 3.390 -14.962 1.00 54.10 N ATOM 1707 CA GLN A 112 -20.022 2.533 -15.162 1.00 55.55 C ATOM 1708 C GLN A 112 -20.179 1.549 -14.007 1.00 54.31 C ATOM 1709 O GLN A 112 -21.290 1.132 -13.681 1.00 55.53 O ATOM 1710 CB GLN A 112 -19.900 1.771 -16.483 1.00 73.12 C ATOM 1711 CG GLN A 112 -21.014 0.761 -16.709 1.00 3.14 C ATOM 1712 CD GLN A 112 -20.879 0.029 -18.029 1.00 73.33 C ATOM 1713 OE1 GLN A 112 -21.076 0.609 -19.097 1.00 34.00 O ATOM 1714 NE2 GLN A 112 -20.541 -1.254 -17.962 1.00 62.42 N ATOM 0 H GLN A 112 -18.149 3.314 -15.690 1.00 54.10 H new ATOM 0 HA GLN A 112 -20.907 3.168 -15.197 1.00 55.55 H new ATOM 0 HB2 GLN A 112 -19.897 2.486 -17.306 1.00 73.12 H new ATOM 0 HB3 GLN A 112 -18.941 1.253 -16.507 1.00 73.12 H new ATOM 0 HG2 GLN A 112 -21.013 0.037 -15.895 1.00 3.14 H new ATOM 0 HG3 GLN A 112 -21.976 1.274 -16.679 1.00 3.14 H new ATOM 0 HE21 GLN A 112 -20.387 -1.694 -17.055 1.00 62.42 H new ATOM 0 HE22 GLN A 112 -20.435 -1.799 -18.818 1.00 62.42 H new ATOM 1723 N MET A 113 -19.059 1.182 -13.392 1.00 42.21 N ATOM 1724 CA MET A 113 -19.073 0.248 -12.273 1.00 50.01 C ATOM 1725 C MET A 113 -19.370 0.973 -10.964 1.00 31.43 C ATOM 1726 O MET A 113 -19.817 0.363 -9.993 1.00 24.55 O ATOM 1727 CB MET A 113 -17.732 -0.481 -12.174 1.00 11.51 C ATOM 1728 CG MET A 113 -17.868 -1.961 -11.855 1.00 32.15 C ATOM 1729 SD MET A 113 -17.883 -2.291 -10.082 1.00 52.15 S ATOM 1730 CE MET A 113 -16.875 -3.770 -10.004 1.00 70.05 C ATOM 0 H MET A 113 -18.131 1.517 -13.650 1.00 42.21 H new ATOM 0 HA MET A 113 -19.863 -0.482 -12.450 1.00 50.01 H new ATOM 0 HB2 MET A 113 -17.196 -0.368 -13.116 1.00 11.51 H new ATOM 0 HB3 MET A 113 -17.125 -0.006 -11.403 1.00 11.51 H new ATOM 0 HG2 MET A 113 -18.788 -2.341 -12.299 1.00 32.15 H new ATOM 0 HG3 MET A 113 -17.043 -2.505 -12.315 1.00 32.15 H new ATOM 0 HE1 MET A 113 -16.790 -4.098 -8.968 1.00 70.05 H new ATOM 0 HE2 MET A 113 -17.338 -4.558 -10.598 1.00 70.05 H new ATOM 0 HE3 MET A 113 -15.882 -3.555 -10.399 1.00 70.05 H new ATOM 1740 N GLY A 114 -19.117 2.278 -10.945 1.00 30.34 N ATOM 1741 CA GLY A 114 -19.362 3.064 -9.750 1.00 14.04 C ATOM 1742 C GLY A 114 -18.082 3.433 -9.025 1.00 73.33 C ATOM 1743 O GLY A 114 -18.085 3.638 -7.810 1.00 72.41 O ATOM 0 H GLY A 114 -18.747 2.805 -11.736 1.00 30.34 H new ATOM 0 HA2 GLY A 114 -19.897 3.974 -10.021 1.00 14.04 H new ATOM 0 HA3 GLY A 114 -20.009 2.502 -9.076 1.00 14.04 H new