USER MOD reduce.3.24.130724 H: found=0, std=0, add=650, rem=0, adj=19 USER MOD reduce.3.24.130724 removed 648 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 13 TYR OH : rot 165:sc= 0.914 USER MOD Set 1.2: A 73 THR OG1 : rot 126:sc= 1.06 USER MOD Single : A 1 MET CE :methyl 149:sc= -0.711 (180deg=-1.83) USER MOD Single : A 1 MET N :NH3+ -140:sc= 1.27 (180deg=0.863) USER MOD Single : A 2 GLN : amide:sc= 0 X(o=0,f=-0.055) USER MOD Single : A 3 THR OG1 : rot 143:sc= 0.132 USER MOD Single : A 9 SER OG : rot 180:sc= 0 USER MOD Single : A 11 CYS SG : rot 180:sc=-0.00391 USER MOD Single : A 14 SER OG : rot 180:sc= -0.047 USER MOD Single : A 18 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 23 LYS NZ :NH3+ 154:sc= 0.0973 (180deg=-0.607) USER MOD Single : A 25 SER OG : rot 74:sc= 1.1 USER MOD Single : A 26 ASN :FLIP amide:sc= -0.0109 F(o=-1.5,f=-0.011) USER MOD Single : A 32 GLN : amide:sc= 0.651 K(o=0.65,f=-0.29) USER MOD Single : A 33 TYR OH : rot -39:sc= 0.344 USER MOD Single : A 34 GLN : amide:sc= 0 X(o=0,f=-0.0025) USER MOD Single : A 35 TYR OH : rot 180:sc= -0.0386 USER MOD Single : A 44 THR OG1 : rot 180:sc= 0.0951 USER MOD Single : A 45 LYS NZ :NH3+ -170:sc= 0.727 (180deg=0.648) USER MOD Single : A 49 GLN : amide:sc= 0.205 X(o=0.2,f=0) USER MOD Single : A 50 GLN : amide:sc= 0 K(o=0,f=-0.88) USER MOD Single : A 51 LYS NZ :NH3+ -143:sc= 0.623 (180deg=-0.689) USER MOD Single : A 54 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 58 THR OG1 : rot 180:sc= 0.0986 USER MOD Single : A 61 GLN : amide:sc= -1.06 K(o=-1.1,f=-2.3) USER MOD Single : A 66 GLN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 67 GLN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 68 HIS : no HE2:sc= -2.86! C(o=-2.9!,f=-4.1!) USER MOD Single : A 72 TYR OH : rot 30:sc= 0.405 USER MOD Single : A 80 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 82 ASN : amide:sc= 0.592 K(o=0.59,f=-0.19) USER MOD ----------------------------------------------------------------- ATOM 1 N MET A 1 10.617 2.586 10.633 1.00 1.88 N ATOM 2 CA MET A 1 9.986 2.079 9.409 1.00 1.56 C ATOM 3 C MET A 1 9.345 3.234 8.630 1.00 1.59 C ATOM 4 O MET A 1 9.190 4.318 9.187 1.00 2.21 O ATOM 5 CB MET A 1 8.923 1.019 9.731 1.00 1.46 C ATOM 6 CG MET A 1 9.499 -0.355 10.078 1.00 1.96 C ATOM 7 SD MET A 1 8.279 -1.656 10.386 1.00 2.24 S ATOM 8 CE MET A 1 7.368 -1.616 8.837 1.00 2.99 C ATOM 0 H1 MET A 1 11.522 2.096 10.786 1.00 1.88 H new ATOM 0 H2 MET A 1 10.788 3.607 10.538 1.00 1.88 H new ATOM 0 H3 MET A 1 9.989 2.414 11.444 1.00 1.88 H new ATOM 0 HA MET A 1 10.761 1.614 8.799 1.00 1.56 H new ATOM 0 HB2 MET A 1 8.317 1.369 10.567 1.00 1.46 H new ATOM 0 HB3 MET A 1 8.256 0.916 8.875 1.00 1.46 H new ATOM 0 HG2 MET A 1 10.147 -0.675 9.262 1.00 1.96 H new ATOM 0 HG3 MET A 1 10.127 -0.253 10.963 1.00 1.96 H new ATOM 0 HE1 MET A 1 6.993 -2.614 8.610 1.00 2.99 H new ATOM 0 HE2 MET A 1 6.530 -0.924 8.925 1.00 2.99 H new ATOM 0 HE3 MET A 1 8.028 -1.286 8.035 1.00 2.99 H new ATOM 20 N GLN A 2 8.912 3.004 7.390 1.00 1.04 N ATOM 21 CA GLN A 2 7.930 3.805 6.672 1.00 0.73 C ATOM 22 C GLN A 2 7.131 2.881 5.759 1.00 0.70 C ATOM 23 O GLN A 2 7.372 1.676 5.724 1.00 1.07 O ATOM 24 CB GLN A 2 8.616 4.919 5.875 1.00 0.83 C ATOM 25 CG GLN A 2 7.790 6.200 6.063 1.00 1.04 C ATOM 26 CD GLN A 2 8.153 7.365 5.156 1.00 1.45 C ATOM 27 OE1 GLN A 2 9.292 7.543 4.722 1.00 2.67 O ATOM 28 NE2 GLN A 2 7.165 8.211 4.899 1.00 1.76 N ATOM 0 H GLN A 2 9.254 2.218 6.837 1.00 1.04 H new ATOM 0 HA GLN A 2 7.255 4.289 7.378 1.00 0.73 H new ATOM 0 HB2 GLN A 2 9.638 5.067 6.225 1.00 0.83 H new ATOM 0 HB3 GLN A 2 8.676 4.654 4.820 1.00 0.83 H new ATOM 0 HG2 GLN A 2 6.739 5.957 5.907 1.00 1.04 H new ATOM 0 HG3 GLN A 2 7.892 6.526 7.098 1.00 1.04 H new ATOM 0 HE21 GLN A 2 6.233 8.035 5.273 1.00 1.76 H new ATOM 0 HE22 GLN A 2 7.337 9.038 4.327 1.00 1.76 H new ATOM 37 N THR A 3 6.161 3.419 5.028 1.00 0.88 N ATOM 38 CA THR A 3 5.315 2.660 4.131 1.00 0.91 C ATOM 39 C THR A 3 4.812 3.597 3.028 1.00 0.74 C ATOM 40 O THR A 3 4.109 4.559 3.330 1.00 0.93 O ATOM 41 CB THR A 3 4.176 2.041 4.958 1.00 1.03 C ATOM 42 OG1 THR A 3 4.689 1.182 5.961 1.00 1.27 O ATOM 43 CG2 THR A 3 3.234 1.217 4.094 1.00 1.25 C ATOM 0 H THR A 3 5.941 4.415 5.047 1.00 0.88 H new ATOM 0 HA THR A 3 5.853 1.846 3.645 1.00 0.91 H new ATOM 0 HB THR A 3 3.635 2.876 5.404 1.00 1.03 H new ATOM 0 HG1 THR A 3 4.148 1.268 6.774 1.00 1.27 H new ATOM 0 HG21 THR A 3 2.443 0.797 4.716 1.00 1.25 H new ATOM 0 HG22 THR A 3 2.793 1.854 3.327 1.00 1.25 H new ATOM 0 HG23 THR A 3 3.790 0.409 3.619 1.00 1.25 H new ATOM 51 N VAL A 4 5.177 3.360 1.770 1.00 0.78 N ATOM 52 CA VAL A 4 4.730 4.180 0.652 1.00 0.62 C ATOM 53 C VAL A 4 3.556 3.465 -0.022 1.00 0.61 C ATOM 54 O VAL A 4 3.545 2.236 -0.080 1.00 0.72 O ATOM 55 CB VAL A 4 5.885 4.402 -0.340 1.00 0.76 C ATOM 56 CG1 VAL A 4 5.465 5.343 -1.478 1.00 0.78 C ATOM 57 CG2 VAL A 4 7.090 5.013 0.382 1.00 0.91 C ATOM 0 H VAL A 4 5.792 2.592 1.499 1.00 0.78 H new ATOM 0 HA VAL A 4 4.408 5.160 1.003 1.00 0.62 H new ATOM 0 HB VAL A 4 6.151 3.432 -0.759 1.00 0.76 H new ATOM 0 HG11 VAL A 4 6.301 5.481 -2.163 1.00 0.78 H new ATOM 0 HG12 VAL A 4 4.622 4.909 -2.017 1.00 0.78 H new ATOM 0 HG13 VAL A 4 5.173 6.308 -1.063 1.00 0.78 H new ATOM 0 HG21 VAL A 4 7.901 5.166 -0.330 1.00 0.91 H new ATOM 0 HG22 VAL A 4 6.805 5.970 0.819 1.00 0.91 H new ATOM 0 HG23 VAL A 4 7.422 4.338 1.171 1.00 0.91 H new ATOM 67 N ILE A 5 2.551 4.197 -0.507 1.00 0.57 N ATOM 68 CA ILE A 5 1.352 3.613 -1.098 1.00 0.61 C ATOM 69 C ILE A 5 1.112 4.226 -2.463 1.00 0.42 C ATOM 70 O ILE A 5 0.734 5.390 -2.557 1.00 0.59 O ATOM 71 CB ILE A 5 0.123 3.801 -0.190 1.00 0.82 C ATOM 72 CG1 ILE A 5 0.377 3.195 1.197 1.00 1.30 C ATOM 73 CG2 ILE A 5 -1.129 3.227 -0.879 1.00 0.92 C ATOM 74 CD1 ILE A 5 1.013 4.185 2.167 1.00 2.08 C ATOM 0 H ILE A 5 2.549 5.217 -0.499 1.00 0.57 H new ATOM 0 HA ILE A 5 1.508 2.540 -1.207 1.00 0.61 H new ATOM 0 HB ILE A 5 -0.057 4.864 -0.031 1.00 0.82 H new ATOM 0 HG12 ILE A 5 -0.567 2.842 1.612 1.00 1.30 H new ATOM 0 HG13 ILE A 5 1.026 2.325 1.095 1.00 1.30 H new ATOM 0 HG21 ILE A 5 -1.995 3.363 -0.232 1.00 0.92 H new ATOM 0 HG22 ILE A 5 -1.296 3.747 -1.822 1.00 0.92 H new ATOM 0 HG23 ILE A 5 -0.983 2.164 -1.071 1.00 0.92 H new ATOM 0 HD11 ILE A 5 1.169 3.701 3.131 1.00 2.08 H new ATOM 0 HD12 ILE A 5 1.971 4.519 1.769 1.00 2.08 H new ATOM 0 HD13 ILE A 5 0.354 5.044 2.295 1.00 2.08 H new ATOM 86 N PHE A 6 1.264 3.440 -3.525 1.00 0.61 N ATOM 87 CA PHE A 6 0.839 3.852 -4.833 1.00 0.55 C ATOM 88 C PHE A 6 -0.681 3.752 -4.848 1.00 0.84 C ATOM 89 O PHE A 6 -1.207 2.672 -4.580 1.00 1.23 O ATOM 90 CB PHE A 6 1.406 2.854 -5.837 1.00 0.85 C ATOM 91 CG PHE A 6 2.876 3.016 -6.159 1.00 1.04 C ATOM 92 CD1 PHE A 6 3.844 2.632 -5.214 1.00 1.41 C ATOM 93 CD2 PHE A 6 3.279 3.559 -7.393 1.00 1.73 C ATOM 94 CE1 PHE A 6 5.199 2.902 -5.454 1.00 1.69 C ATOM 95 CE2 PHE A 6 4.628 3.884 -7.607 1.00 1.93 C ATOM 96 CZ PHE A 6 5.583 3.580 -6.623 1.00 1.64 C ATOM 0 H PHE A 6 1.683 2.511 -3.491 1.00 0.61 H new ATOM 0 HA PHE A 6 1.170 4.862 -5.076 1.00 0.55 H new ATOM 0 HB2 PHE A 6 1.245 1.847 -5.452 1.00 0.85 H new ATOM 0 HB3 PHE A 6 0.838 2.935 -6.764 1.00 0.85 H new ATOM 0 HD1 PHE A 6 3.545 2.130 -4.306 1.00 1.41 H new ATOM 0 HD2 PHE A 6 2.552 3.725 -8.174 1.00 1.73 H new ATOM 0 HE1 PHE A 6 5.947 2.589 -4.741 1.00 1.69 H new ATOM 0 HE2 PHE A 6 4.930 4.366 -8.525 1.00 1.93 H new ATOM 0 HZ PHE A 6 6.614 3.868 -6.765 1.00 1.64 H new ATOM 106 N GLY A 7 -1.368 4.849 -5.151 1.00 1.04 N ATOM 107 CA GLY A 7 -2.818 4.898 -5.119 1.00 1.76 C ATOM 108 C GLY A 7 -3.487 4.139 -6.268 1.00 1.11 C ATOM 109 O GLY A 7 -3.521 2.912 -6.275 1.00 2.66 O ATOM 0 H GLY A 7 -0.930 5.728 -5.426 1.00 1.04 H new ATOM 0 HA2 GLY A 7 -3.165 4.485 -4.172 1.00 1.76 H new ATOM 0 HA3 GLY A 7 -3.138 5.940 -5.149 1.00 1.76 H new ATOM 113 N ARG A 8 -4.058 4.888 -7.217 1.00 1.51 N ATOM 114 CA ARG A 8 -5.059 4.458 -8.194 1.00 2.53 C ATOM 115 C ARG A 8 -6.441 4.692 -7.581 1.00 1.95 C ATOM 116 O ARG A 8 -6.558 4.878 -6.368 1.00 2.11 O ATOM 117 CB ARG A 8 -4.837 3.026 -8.721 1.00 4.07 C ATOM 118 CG ARG A 8 -5.511 2.772 -10.077 1.00 5.53 C ATOM 119 CD ARG A 8 -5.259 1.335 -10.533 1.00 6.84 C ATOM 120 NE ARG A 8 -6.043 0.990 -11.726 1.00 8.46 N ATOM 121 CZ ARG A 8 -5.593 0.930 -12.991 1.00 9.93 C ATOM 122 NH1 ARG A 8 -4.348 1.312 -13.298 1.00 10.13 N ATOM 123 NH2 ARG A 8 -6.416 0.479 -13.935 1.00 11.48 N ATOM 0 H ARG A 8 -3.817 5.873 -7.329 1.00 1.51 H new ATOM 0 HA ARG A 8 -4.965 5.058 -9.099 1.00 2.53 H new ATOM 0 HB2 ARG A 8 -3.767 2.841 -8.814 1.00 4.07 H new ATOM 0 HB3 ARG A 8 -5.222 2.313 -7.992 1.00 4.07 H new ATOM 0 HG2 ARG A 8 -6.583 2.953 -9.998 1.00 5.53 H new ATOM 0 HG3 ARG A 8 -5.124 3.470 -10.820 1.00 5.53 H new ATOM 0 HD2 ARG A 8 -4.198 1.203 -10.746 1.00 6.84 H new ATOM 0 HD3 ARG A 8 -5.509 0.649 -9.724 1.00 6.84 H new ATOM 0 HE ARG A 8 -7.029 0.774 -11.580 1.00 8.46 H new ATOM 0 HH11 ARG A 8 -3.725 1.655 -12.567 1.00 10.13 H new ATOM 0 HH12 ARG A 8 -4.022 1.260 -14.263 1.00 10.13 H new ATOM 0 HH21 ARG A 8 -7.363 0.189 -13.690 1.00 11.48 H new ATOM 0 HH22 ARG A 8 -6.100 0.423 -14.903 1.00 11.48 H new ATOM 137 N SER A 9 -7.474 4.818 -8.411 1.00 2.91 N ATOM 138 CA SER A 9 -8.797 5.235 -7.973 1.00 2.96 C ATOM 139 C SER A 9 -9.867 4.326 -8.567 1.00 2.85 C ATOM 140 O SER A 9 -9.615 3.601 -9.534 1.00 3.83 O ATOM 141 CB SER A 9 -9.006 6.688 -8.409 1.00 3.99 C ATOM 142 OG SER A 9 -10.157 7.252 -7.810 1.00 4.29 O ATOM 0 H SER A 9 -7.413 4.632 -9.412 1.00 2.91 H new ATOM 0 HA SER A 9 -8.876 5.162 -6.888 1.00 2.96 H new ATOM 0 HB2 SER A 9 -8.130 7.278 -8.141 1.00 3.99 H new ATOM 0 HB3 SER A 9 -9.101 6.733 -9.494 1.00 3.99 H new ATOM 0 HG SER A 9 -10.260 8.180 -8.108 1.00 4.29 H new ATOM 148 N GLY A 10 -11.066 4.411 -8.008 1.00 2.35 N ATOM 149 CA GLY A 10 -12.293 3.843 -8.515 1.00 2.56 C ATOM 150 C GLY A 10 -12.580 2.477 -7.906 1.00 2.25 C ATOM 151 O GLY A 10 -12.961 1.567 -8.643 1.00 3.29 O ATOM 0 H GLY A 10 -11.209 4.913 -7.132 1.00 2.35 H new ATOM 0 HA2 GLY A 10 -13.122 4.518 -8.300 1.00 2.56 H new ATOM 0 HA3 GLY A 10 -12.230 3.751 -9.599 1.00 2.56 H new ATOM 155 N CYS A 11 -12.418 2.316 -6.588 1.00 1.49 N ATOM 156 CA CYS A 11 -12.887 1.141 -5.849 1.00 1.23 C ATOM 157 C CYS A 11 -12.751 1.359 -4.337 1.00 1.15 C ATOM 158 O CYS A 11 -11.637 1.598 -3.878 1.00 1.22 O ATOM 159 CB CYS A 11 -12.103 -0.111 -6.252 1.00 1.38 C ATOM 160 SG CYS A 11 -12.770 -1.586 -5.475 1.00 1.66 S ATOM 0 H CYS A 11 -11.952 3.006 -5.999 1.00 1.49 H new ATOM 0 HA CYS A 11 -13.938 0.997 -6.098 1.00 1.23 H new ATOM 0 HB2 CYS A 11 -12.131 -0.225 -7.336 1.00 1.38 H new ATOM 0 HB3 CYS A 11 -11.057 0.008 -5.971 1.00 1.38 H new ATOM 0 HG CYS A 11 -12.078 -2.622 -5.845 1.00 1.66 H new ATOM 165 N PRO A 12 -13.807 1.260 -3.514 1.00 1.11 N ATOM 166 CA PRO A 12 -13.688 1.546 -2.088 1.00 1.15 C ATOM 167 C PRO A 12 -12.738 0.554 -1.412 1.00 1.10 C ATOM 168 O PRO A 12 -11.919 0.925 -0.576 1.00 1.11 O ATOM 169 CB PRO A 12 -15.109 1.455 -1.534 1.00 1.24 C ATOM 170 CG PRO A 12 -15.786 0.464 -2.478 1.00 1.18 C ATOM 171 CD PRO A 12 -15.145 0.784 -3.829 1.00 1.12 C ATOM 0 HA PRO A 12 -13.262 2.531 -1.899 1.00 1.15 H new ATOM 0 HB2 PRO A 12 -15.118 1.100 -0.503 1.00 1.24 H new ATOM 0 HB3 PRO A 12 -15.608 2.424 -1.542 1.00 1.24 H new ATOM 0 HG2 PRO A 12 -15.603 -0.568 -2.179 1.00 1.18 H new ATOM 0 HG3 PRO A 12 -16.867 0.602 -2.501 1.00 1.18 H new ATOM 0 HD2 PRO A 12 -15.109 -0.099 -4.467 1.00 1.12 H new ATOM 0 HD3 PRO A 12 -15.716 1.541 -4.366 1.00 1.12 H new ATOM 179 N TYR A 13 -12.799 -0.718 -1.808 1.00 1.13 N ATOM 180 CA TYR A 13 -11.926 -1.739 -1.251 1.00 1.20 C ATOM 181 C TYR A 13 -10.462 -1.474 -1.619 1.00 1.28 C ATOM 182 O TYR A 13 -9.548 -2.019 -1.008 1.00 1.59 O ATOM 183 CB TYR A 13 -12.421 -3.120 -1.702 1.00 1.21 C ATOM 184 CG TYR A 13 -12.095 -4.313 -0.810 1.00 1.20 C ATOM 185 CD1 TYR A 13 -12.188 -4.222 0.595 1.00 1.82 C ATOM 186 CD2 TYR A 13 -11.831 -5.563 -1.402 1.00 2.29 C ATOM 187 CE1 TYR A 13 -11.848 -5.323 1.397 1.00 2.26 C ATOM 188 CE2 TYR A 13 -11.472 -6.659 -0.599 1.00 2.51 C ATOM 189 CZ TYR A 13 -11.397 -6.505 0.796 1.00 2.10 C ATOM 190 OH TYR A 13 -10.956 -7.527 1.581 1.00 2.75 O ATOM 0 H TYR A 13 -13.448 -1.062 -2.516 1.00 1.13 H new ATOM 0 HA TYR A 13 -11.964 -1.710 -0.162 1.00 1.20 H new ATOM 0 HB2 TYR A 13 -13.504 -3.069 -1.812 1.00 1.21 H new ATOM 0 HB3 TYR A 13 -12.009 -3.318 -2.692 1.00 1.21 H new ATOM 0 HD1 TYR A 13 -12.521 -3.303 1.054 1.00 1.82 H new ATOM 0 HD2 TYR A 13 -11.904 -5.679 -2.473 1.00 2.29 H new ATOM 0 HE1 TYR A 13 -11.934 -5.259 2.472 1.00 2.26 H new ATOM 0 HE2 TYR A 13 -11.255 -7.615 -1.052 1.00 2.51 H new ATOM 0 HH TYR A 13 -10.905 -8.349 1.050 1.00 2.75 H new ATOM 200 N SER A 14 -10.196 -0.620 -2.611 1.00 1.18 N ATOM 201 CA SER A 14 -8.840 -0.124 -2.766 1.00 1.18 C ATOM 202 C SER A 14 -8.547 0.786 -1.556 1.00 0.87 C ATOM 203 O SER A 14 -7.652 0.473 -0.773 1.00 0.77 O ATOM 204 CB SER A 14 -8.621 0.545 -4.141 1.00 1.41 C ATOM 205 OG SER A 14 -7.558 1.478 -4.169 1.00 1.69 O ATOM 0 H SER A 14 -10.874 -0.273 -3.289 1.00 1.18 H new ATOM 0 HA SER A 14 -8.118 -0.941 -2.768 1.00 1.18 H new ATOM 0 HB2 SER A 14 -8.429 -0.230 -4.883 1.00 1.41 H new ATOM 0 HB3 SER A 14 -9.540 1.050 -4.438 1.00 1.41 H new ATOM 0 HG SER A 14 -7.479 1.857 -5.069 1.00 1.69 H new ATOM 211 N VAL A 15 -9.325 1.866 -1.396 1.00 0.82 N ATOM 212 CA VAL A 15 -9.186 2.885 -0.343 1.00 0.67 C ATOM 213 C VAL A 15 -9.005 2.275 1.050 1.00 0.52 C ATOM 214 O VAL A 15 -8.224 2.779 1.853 1.00 0.48 O ATOM 215 CB VAL A 15 -10.370 3.873 -0.366 1.00 0.74 C ATOM 216 CG1 VAL A 15 -10.187 4.976 0.687 1.00 0.86 C ATOM 217 CG2 VAL A 15 -10.524 4.559 -1.730 1.00 0.94 C ATOM 0 H VAL A 15 -10.104 2.063 -2.025 1.00 0.82 H new ATOM 0 HA VAL A 15 -8.273 3.438 -0.563 1.00 0.67 H new ATOM 0 HB VAL A 15 -11.259 3.280 -0.153 1.00 0.74 H new ATOM 0 HG11 VAL A 15 -11.036 5.659 0.650 1.00 0.86 H new ATOM 0 HG12 VAL A 15 -10.126 4.526 1.678 1.00 0.86 H new ATOM 0 HG13 VAL A 15 -9.269 5.526 0.482 1.00 0.86 H new ATOM 0 HG21 VAL A 15 -11.370 5.245 -1.699 1.00 0.94 H new ATOM 0 HG22 VAL A 15 -9.615 5.114 -1.963 1.00 0.94 H new ATOM 0 HG23 VAL A 15 -10.696 3.806 -2.499 1.00 0.94 H new ATOM 227 N ARG A 16 -9.715 1.185 1.334 1.00 0.57 N ATOM 228 CA ARG A 16 -9.581 0.388 2.552 1.00 0.64 C ATOM 229 C ARG A 16 -8.110 0.193 2.981 1.00 0.52 C ATOM 230 O ARG A 16 -7.803 0.080 4.167 1.00 0.59 O ATOM 231 CB ARG A 16 -10.266 -0.954 2.269 1.00 1.11 C ATOM 232 CG ARG A 16 -10.450 -1.876 3.475 1.00 1.75 C ATOM 233 CD ARG A 16 -11.505 -1.439 4.496 1.00 1.45 C ATOM 234 NE ARG A 16 -11.759 -2.549 5.436 1.00 2.03 N ATOM 235 CZ ARG A 16 -12.523 -3.625 5.187 1.00 3.04 C ATOM 236 NH1 ARG A 16 -13.416 -3.564 4.199 1.00 3.94 N ATOM 237 NH2 ARG A 16 -12.367 -4.741 5.901 1.00 4.11 N ATOM 0 H ARG A 16 -10.425 0.819 0.700 1.00 0.57 H new ATOM 0 HA ARG A 16 -10.049 0.905 3.390 1.00 0.64 H new ATOM 0 HB2 ARG A 16 -11.246 -0.756 1.835 1.00 1.11 H new ATOM 0 HB3 ARG A 16 -9.685 -1.485 1.515 1.00 1.11 H new ATOM 0 HG2 ARG A 16 -10.713 -2.869 3.112 1.00 1.75 H new ATOM 0 HG3 ARG A 16 -9.492 -1.968 3.987 1.00 1.75 H new ATOM 0 HD2 ARG A 16 -11.161 -0.559 5.039 1.00 1.45 H new ATOM 0 HD3 ARG A 16 -12.427 -1.159 3.987 1.00 1.45 H new ATOM 0 HE ARG A 16 -11.316 -2.494 6.353 1.00 2.03 H new ATOM 0 HH11 ARG A 16 -13.509 -2.711 3.648 1.00 3.94 H new ATOM 0 HH12 ARG A 16 -14.006 -4.371 3.994 1.00 3.94 H new ATOM 0 HH21 ARG A 16 -11.665 -4.780 6.640 1.00 4.11 H new ATOM 0 HH22 ARG A 16 -12.950 -5.556 5.708 1.00 4.11 H new ATOM 251 N ALA A 17 -7.182 0.119 2.029 1.00 0.49 N ATOM 252 CA ALA A 17 -5.770 -0.052 2.341 1.00 0.43 C ATOM 253 C ALA A 17 -5.169 1.230 2.916 1.00 0.38 C ATOM 254 O ALA A 17 -4.419 1.186 3.892 1.00 0.42 O ATOM 255 CB ALA A 17 -5.008 -0.491 1.097 1.00 0.46 C ATOM 0 H ALA A 17 -7.387 0.175 1.031 1.00 0.49 H new ATOM 0 HA ALA A 17 -5.681 -0.828 3.101 1.00 0.43 H new ATOM 0 HB1 ALA A 17 -3.953 -0.616 1.342 1.00 0.46 H new ATOM 0 HB2 ALA A 17 -5.412 -1.438 0.738 1.00 0.46 H new ATOM 0 HB3 ALA A 17 -5.113 0.266 0.320 1.00 0.46 H new ATOM 261 N LYS A 18 -5.460 2.371 2.289 1.00 0.37 N ATOM 262 CA LYS A 18 -5.034 3.659 2.807 1.00 0.47 C ATOM 263 C LYS A 18 -5.613 3.776 4.217 1.00 0.50 C ATOM 264 O LYS A 18 -4.893 4.138 5.139 1.00 0.60 O ATOM 265 CB LYS A 18 -5.524 4.804 1.912 1.00 0.65 C ATOM 266 CG LYS A 18 -5.360 6.152 2.622 1.00 1.01 C ATOM 267 CD LYS A 18 -5.527 7.304 1.634 1.00 1.12 C ATOM 268 CE LYS A 18 -5.052 8.593 2.316 1.00 1.64 C ATOM 269 NZ LYS A 18 -5.452 9.820 1.598 1.00 1.98 N ATOM 0 H LYS A 18 -5.991 2.422 1.420 1.00 0.37 H new ATOM 0 HA LYS A 18 -3.946 3.729 2.827 1.00 0.47 H new ATOM 0 HB2 LYS A 18 -4.962 4.808 0.978 1.00 0.65 H new ATOM 0 HB3 LYS A 18 -6.571 4.648 1.654 1.00 0.65 H new ATOM 0 HG2 LYS A 18 -6.097 6.241 3.420 1.00 1.01 H new ATOM 0 HG3 LYS A 18 -4.377 6.206 3.089 1.00 1.01 H new ATOM 0 HD2 LYS A 18 -4.948 7.116 0.730 1.00 1.12 H new ATOM 0 HD3 LYS A 18 -6.570 7.396 1.331 1.00 1.12 H new ATOM 0 HE2 LYS A 18 -5.452 8.627 3.329 1.00 1.64 H new ATOM 0 HE3 LYS A 18 -3.966 8.570 2.403 1.00 1.64 H new ATOM 0 HZ1 LYS A 18 -5.100 10.653 2.111 1.00 1.98 H new ATOM 0 HZ2 LYS A 18 -5.049 9.808 0.639 1.00 1.98 H new ATOM 0 HZ3 LYS A 18 -6.489 9.864 1.537 1.00 1.98 H new ATOM 283 N ASP A 19 -6.905 3.463 4.360 1.00 0.51 N ATOM 284 CA ASP A 19 -7.632 3.508 5.625 1.00 0.65 C ATOM 285 C ASP A 19 -6.831 2.806 6.710 1.00 0.60 C ATOM 286 O ASP A 19 -6.465 3.419 7.710 1.00 0.62 O ATOM 287 CB ASP A 19 -9.013 2.849 5.471 1.00 0.83 C ATOM 288 CG ASP A 19 -9.889 3.044 6.686 1.00 1.02 C ATOM 289 OD1 ASP A 19 -9.744 2.302 7.685 1.00 2.09 O ATOM 290 OD2 ASP A 19 -10.769 3.922 6.574 1.00 1.71 O ATOM 0 H ASP A 19 -7.486 3.164 3.577 1.00 0.51 H new ATOM 0 HA ASP A 19 -7.776 4.550 5.911 1.00 0.65 H new ATOM 0 HB2 ASP A 19 -9.514 3.264 4.596 1.00 0.83 H new ATOM 0 HB3 ASP A 19 -8.884 1.782 5.288 1.00 0.83 H new ATOM 295 N LEU A 20 -6.528 1.529 6.465 1.00 0.57 N ATOM 296 CA LEU A 20 -5.708 0.708 7.338 1.00 0.57 C ATOM 297 C LEU A 20 -4.446 1.460 7.747 1.00 0.46 C ATOM 298 O LEU A 20 -4.243 1.743 8.926 1.00 0.44 O ATOM 299 CB LEU A 20 -5.384 -0.621 6.639 1.00 0.61 C ATOM 300 CG LEU A 20 -4.440 -1.549 7.421 1.00 0.85 C ATOM 301 CD1 LEU A 20 -4.966 -1.850 8.824 1.00 1.34 C ATOM 302 CD2 LEU A 20 -4.273 -2.875 6.672 1.00 2.13 C ATOM 0 H LEU A 20 -6.856 1.034 5.636 1.00 0.57 H new ATOM 0 HA LEU A 20 -6.258 0.484 8.252 1.00 0.57 H new ATOM 0 HB2 LEU A 20 -6.317 -1.152 6.449 1.00 0.61 H new ATOM 0 HB3 LEU A 20 -4.937 -0.405 5.669 1.00 0.61 H new ATOM 0 HG LEU A 20 -3.484 -1.033 7.510 1.00 0.85 H new ATOM 0 HD11 LEU A 20 -4.268 -2.509 9.341 1.00 1.34 H new ATOM 0 HD12 LEU A 20 -5.067 -0.919 9.382 1.00 1.34 H new ATOM 0 HD13 LEU A 20 -5.938 -2.337 8.751 1.00 1.34 H new ATOM 0 HD21 LEU A 20 -3.603 -3.527 7.232 1.00 2.13 H new ATOM 0 HD22 LEU A 20 -5.244 -3.358 6.566 1.00 2.13 H new ATOM 0 HD23 LEU A 20 -3.853 -2.685 5.685 1.00 2.13 H new ATOM 314 N ALA A 21 -3.573 1.780 6.793 1.00 0.46 N ATOM 315 CA ALA A 21 -2.312 2.398 7.182 1.00 0.51 C ATOM 316 C ALA A 21 -2.495 3.742 7.870 1.00 0.46 C ATOM 317 O ALA A 21 -1.670 4.093 8.709 1.00 0.43 O ATOM 318 CB ALA A 21 -1.396 2.563 5.977 1.00 0.71 C ATOM 0 H ALA A 21 -3.706 1.630 5.793 1.00 0.46 H new ATOM 0 HA ALA A 21 -1.854 1.721 7.904 1.00 0.51 H new ATOM 0 HB1 ALA A 21 -0.461 3.026 6.292 1.00 0.71 H new ATOM 0 HB2 ALA A 21 -1.188 1.586 5.541 1.00 0.71 H new ATOM 0 HB3 ALA A 21 -1.882 3.195 5.234 1.00 0.71 H new ATOM 324 N GLU A 22 -3.519 4.509 7.508 1.00 0.53 N ATOM 325 CA GLU A 22 -3.615 5.878 7.957 1.00 0.54 C ATOM 326 C GLU A 22 -3.809 5.849 9.476 1.00 0.49 C ATOM 327 O GLU A 22 -3.063 6.501 10.206 1.00 0.58 O ATOM 328 CB GLU A 22 -4.746 6.576 7.193 1.00 0.67 C ATOM 329 CG GLU A 22 -4.954 8.011 7.675 1.00 0.83 C ATOM 330 CD GLU A 22 -5.821 8.768 6.700 1.00 1.53 C ATOM 331 OE1 GLU A 22 -5.264 9.300 5.718 1.00 2.71 O ATOM 332 OE2 GLU A 22 -7.054 8.767 6.888 1.00 1.94 O ATOM 0 H GLU A 22 -4.285 4.201 6.909 1.00 0.53 H new ATOM 0 HA GLU A 22 -2.714 6.456 7.751 1.00 0.54 H new ATOM 0 HB2 GLU A 22 -4.517 6.580 6.127 1.00 0.67 H new ATOM 0 HB3 GLU A 22 -5.671 6.013 7.318 1.00 0.67 H new ATOM 0 HG2 GLU A 22 -5.420 8.007 8.660 1.00 0.83 H new ATOM 0 HG3 GLU A 22 -3.991 8.510 7.780 1.00 0.83 H new ATOM 339 N LYS A 23 -4.757 5.040 9.963 1.00 0.54 N ATOM 340 CA LYS A 23 -4.928 4.909 11.403 1.00 0.72 C ATOM 341 C LYS A 23 -3.687 4.369 12.067 1.00 0.67 C ATOM 342 O LYS A 23 -3.206 4.908 13.057 1.00 0.82 O ATOM 343 CB LYS A 23 -6.122 4.042 11.816 1.00 1.03 C ATOM 344 CG LYS A 23 -6.585 2.773 11.079 1.00 1.68 C ATOM 345 CD LYS A 23 -6.021 1.412 11.523 1.00 3.47 C ATOM 346 CE LYS A 23 -5.772 1.144 13.014 1.00 4.36 C ATOM 347 NZ LYS A 23 -6.922 1.405 13.901 1.00 4.32 N ATOM 0 H LYS A 23 -5.397 4.484 9.396 1.00 0.54 H new ATOM 0 HA LYS A 23 -5.125 5.926 11.743 1.00 0.72 H new ATOM 0 HB2 LYS A 23 -5.930 3.738 12.845 1.00 1.03 H new ATOM 0 HB3 LYS A 23 -6.984 4.709 11.836 1.00 1.03 H new ATOM 0 HG2 LYS A 23 -7.671 2.722 11.159 1.00 1.68 H new ATOM 0 HG3 LYS A 23 -6.349 2.900 10.023 1.00 1.68 H new ATOM 0 HD2 LYS A 23 -6.704 0.643 11.163 1.00 3.47 H new ATOM 0 HD3 LYS A 23 -5.074 1.266 11.003 1.00 3.47 H new ATOM 0 HE2 LYS A 23 -5.470 0.104 13.134 1.00 4.36 H new ATOM 0 HE3 LYS A 23 -4.934 1.759 13.342 1.00 4.36 H new ATOM 0 HZ1 LYS A 23 -6.842 0.817 14.755 1.00 4.32 H new ATOM 0 HZ2 LYS A 23 -6.931 2.409 14.172 1.00 4.32 H new ATOM 0 HZ3 LYS A 23 -7.805 1.173 13.402 1.00 4.32 H new ATOM 361 N LEU A 24 -3.203 3.255 11.551 1.00 0.53 N ATOM 362 CA LEU A 24 -2.012 2.626 12.080 1.00 0.55 C ATOM 363 C LEU A 24 -0.876 3.649 12.264 1.00 0.63 C ATOM 364 O LEU A 24 -0.230 3.648 13.308 1.00 0.73 O ATOM 365 CB LEU A 24 -1.563 1.515 11.130 1.00 0.56 C ATOM 366 CG LEU A 24 -2.305 0.177 11.147 1.00 0.67 C ATOM 367 CD1 LEU A 24 -1.620 -0.775 10.167 1.00 0.80 C ATOM 368 CD2 LEU A 24 -2.296 -0.465 12.532 1.00 0.86 C ATOM 0 H LEU A 24 -3.622 2.766 10.760 1.00 0.53 H new ATOM 0 HA LEU A 24 -2.247 2.206 13.058 1.00 0.55 H new ATOM 0 HB2 LEU A 24 -1.618 1.908 10.115 1.00 0.56 H new ATOM 0 HB3 LEU A 24 -0.512 1.311 11.336 1.00 0.56 H new ATOM 0 HG LEU A 24 -3.341 0.363 10.866 1.00 0.67 H new ATOM 0 HD11 LEU A 24 -2.139 -1.734 10.168 1.00 0.80 H new ATOM 0 HD12 LEU A 24 -1.649 -0.348 9.164 1.00 0.80 H new ATOM 0 HD13 LEU A 24 -0.583 -0.923 10.468 1.00 0.80 H new ATOM 0 HD21 LEU A 24 -2.834 -1.412 12.497 1.00 0.86 H new ATOM 0 HD22 LEU A 24 -1.267 -0.643 12.844 1.00 0.86 H new ATOM 0 HD23 LEU A 24 -2.781 0.202 13.245 1.00 0.86 H new ATOM 380 N SER A 25 -0.647 4.531 11.287 1.00 0.67 N ATOM 381 CA SER A 25 0.390 5.563 11.347 1.00 0.84 C ATOM 382 C SER A 25 0.138 6.620 12.433 1.00 1.03 C ATOM 383 O SER A 25 0.906 7.568 12.560 1.00 1.39 O ATOM 384 CB SER A 25 0.493 6.271 9.991 1.00 0.89 C ATOM 385 OG SER A 25 0.797 5.352 8.958 1.00 1.92 O ATOM 0 H SER A 25 -1.185 4.548 10.420 1.00 0.67 H new ATOM 0 HA SER A 25 1.318 5.050 11.599 1.00 0.84 H new ATOM 0 HB2 SER A 25 -0.447 6.775 9.768 1.00 0.89 H new ATOM 0 HB3 SER A 25 1.264 7.040 10.036 1.00 0.89 H new ATOM 0 HG SER A 25 0.002 4.817 8.752 1.00 1.92 H new ATOM 391 N ASN A 26 -0.982 6.548 13.147 1.00 1.12 N ATOM 392 CA ASN A 26 -1.350 7.441 14.232 1.00 1.33 C ATOM 393 C ASN A 26 -1.316 6.648 15.532 1.00 1.30 C ATOM 394 O ASN A 26 -0.872 7.152 16.559 1.00 1.59 O ATOM 395 CB ASN A 26 -2.746 8.038 13.990 1.00 1.45 C ATOM 396 CG ASN A 26 -2.923 8.782 12.664 1.00 1.62 C ATOM 397 OD1 ASN A 26 -1.841 9.062 11.949 1.00 1.82 O flip ATOM 398 ND2 ASN A 26 -4.043 9.119 12.279 1.00 3.22 N flip ATOM 0 H ASN A 26 -1.687 5.832 12.974 1.00 1.12 H new ATOM 0 HA ASN A 26 -0.647 8.272 14.289 1.00 1.33 H new ATOM 0 HB2 ASN A 26 -3.479 7.233 14.036 1.00 1.45 H new ATOM 0 HB3 ASN A 26 -2.975 8.724 14.805 1.00 1.45 H new ATOM 0 HD21 ASN A 26 -4.864 8.896 12.841 1.00 3.22 H new ATOM 0 HD22 ASN A 26 -4.150 9.622 11.398 1.00 3.22 H new ATOM 405 N GLU A 27 -1.771 5.398 15.495 1.00 1.11 N ATOM 406 CA GLU A 27 -1.784 4.500 16.638 1.00 1.23 C ATOM 407 C GLU A 27 -0.367 3.996 16.951 1.00 1.27 C ATOM 408 O GLU A 27 -0.085 3.578 18.075 1.00 1.64 O ATOM 409 CB GLU A 27 -2.790 3.375 16.349 1.00 1.26 C ATOM 410 CG GLU A 27 -4.176 4.011 16.143 1.00 2.11 C ATOM 411 CD GLU A 27 -5.280 3.038 15.823 1.00 2.22 C ATOM 412 OE1 GLU A 27 -5.062 1.811 15.857 1.00 2.78 O ATOM 413 OE2 GLU A 27 -6.394 3.506 15.505 1.00 2.94 O ATOM 0 H GLU A 27 -2.149 4.975 14.647 1.00 1.11 H new ATOM 0 HA GLU A 27 -2.108 5.018 17.541 1.00 1.23 H new ATOM 0 HB2 GLU A 27 -2.492 2.817 15.461 1.00 1.26 H new ATOM 0 HB3 GLU A 27 -2.816 2.666 17.177 1.00 1.26 H new ATOM 0 HG2 GLU A 27 -4.445 4.560 17.046 1.00 2.11 H new ATOM 0 HG3 GLU A 27 -4.109 4.740 15.335 1.00 2.11 H new ATOM 420 N ARG A 28 0.528 4.012 15.965 1.00 1.08 N ATOM 421 CA ARG A 28 1.970 3.897 16.132 1.00 1.20 C ATOM 422 C ARG A 28 2.587 5.261 15.798 1.00 1.33 C ATOM 423 O ARG A 28 1.879 6.145 15.316 1.00 1.45 O ATOM 424 CB ARG A 28 2.513 2.819 15.184 1.00 1.07 C ATOM 425 CG ARG A 28 2.237 1.379 15.632 1.00 1.64 C ATOM 426 CD ARG A 28 0.764 0.948 15.671 1.00 1.87 C ATOM 427 NE ARG A 28 0.668 -0.521 15.727 1.00 2.38 N ATOM 428 CZ ARG A 28 -0.466 -1.235 15.644 1.00 3.78 C ATOM 429 NH1 ARG A 28 -1.639 -0.604 15.649 1.00 4.86 N ATOM 430 NH2 ARG A 28 -0.431 -2.561 15.549 1.00 4.70 N ATOM 0 H ARG A 28 0.253 4.110 14.988 1.00 1.08 H new ATOM 0 HA ARG A 28 2.222 3.611 17.153 1.00 1.20 H new ATOM 0 HB2 ARG A 28 2.076 2.969 14.196 1.00 1.07 H new ATOM 0 HB3 ARG A 28 3.590 2.954 15.080 1.00 1.07 H new ATOM 0 HG2 ARG A 28 2.773 0.705 14.964 1.00 1.64 H new ATOM 0 HG3 ARG A 28 2.659 1.244 16.628 1.00 1.64 H new ATOM 0 HD2 ARG A 28 0.272 1.386 16.539 1.00 1.87 H new ATOM 0 HD3 ARG A 28 0.244 1.321 14.788 1.00 1.87 H new ATOM 0 HE ARG A 28 1.539 -1.041 15.838 1.00 2.38 H new ATOM 0 HH11 ARG A 28 -1.671 0.413 15.715 1.00 4.86 H new ATOM 0 HH12 ARG A 28 -2.506 -1.138 15.586 1.00 4.86 H new ATOM 0 HH21 ARG A 28 0.465 -3.048 15.539 1.00 4.70 H new ATOM 0 HH22 ARG A 28 -1.300 -3.091 15.487 1.00 4.70 H new ATOM 444 N ASP A 29 3.889 5.432 16.055 1.00 1.53 N ATOM 445 CA ASP A 29 4.663 6.610 15.659 1.00 1.91 C ATOM 446 C ASP A 29 6.109 6.223 15.306 1.00 1.57 C ATOM 447 O ASP A 29 6.998 7.068 15.194 1.00 2.23 O ATOM 448 CB ASP A 29 4.585 7.648 16.781 1.00 2.51 C ATOM 449 CG ASP A 29 5.404 8.891 16.537 1.00 4.01 C ATOM 450 OD1 ASP A 29 5.221 9.549 15.495 1.00 5.18 O ATOM 451 OD2 ASP A 29 6.205 9.219 17.437 1.00 4.67 O ATOM 0 H ASP A 29 4.445 4.738 16.556 1.00 1.53 H new ATOM 0 HA ASP A 29 4.242 7.051 14.756 1.00 1.91 H new ATOM 0 HB2 ASP A 29 3.543 7.936 16.922 1.00 2.51 H new ATOM 0 HB3 ASP A 29 4.916 7.186 17.711 1.00 2.51 H new ATOM 456 N ASP A 30 6.366 4.936 15.053 1.00 1.25 N ATOM 457 CA ASP A 30 7.628 4.513 14.452 1.00 1.75 C ATOM 458 C ASP A 30 7.412 4.710 12.969 1.00 1.46 C ATOM 459 O ASP A 30 7.973 5.611 12.351 1.00 1.52 O ATOM 460 CB ASP A 30 7.934 3.031 14.758 1.00 2.49 C ATOM 461 CG ASP A 30 9.092 2.474 13.938 1.00 3.10 C ATOM 462 OD1 ASP A 30 9.545 3.109 12.965 1.00 3.80 O ATOM 463 OD2 ASP A 30 9.539 1.356 14.276 1.00 3.86 O ATOM 0 H ASP A 30 5.718 4.174 15.255 1.00 1.25 H new ATOM 0 HA ASP A 30 8.475 5.078 14.841 1.00 1.75 H new ATOM 0 HB2 ASP A 30 8.165 2.926 15.818 1.00 2.49 H new ATOM 0 HB3 ASP A 30 7.042 2.435 14.565 1.00 2.49 H new ATOM 468 N PHE A 31 6.546 3.871 12.413 1.00 1.30 N ATOM 469 CA PHE A 31 6.269 3.897 11.018 1.00 1.05 C ATOM 470 C PHE A 31 5.219 4.976 10.802 1.00 0.88 C ATOM 471 O PHE A 31 4.211 5.051 11.501 1.00 1.21 O ATOM 472 CB PHE A 31 5.850 2.490 10.574 1.00 1.06 C ATOM 473 CG PHE A 31 4.385 2.283 10.286 1.00 0.87 C ATOM 474 CD1 PHE A 31 3.483 2.133 11.351 1.00 2.00 C ATOM 475 CD2 PHE A 31 3.918 2.334 8.961 1.00 2.25 C ATOM 476 CE1 PHE A 31 2.108 2.067 11.092 1.00 2.25 C ATOM 477 CE2 PHE A 31 2.544 2.239 8.700 1.00 2.16 C ATOM 478 CZ PHE A 31 1.639 2.116 9.766 1.00 1.22 C ATOM 0 H PHE A 31 6.027 3.162 12.932 1.00 1.30 H new ATOM 0 HA PHE A 31 7.132 4.151 10.402 1.00 1.05 H new ATOM 0 HB2 PHE A 31 6.413 2.234 9.677 1.00 1.06 H new ATOM 0 HB3 PHE A 31 6.148 1.785 11.350 1.00 1.06 H new ATOM 0 HD1 PHE A 31 3.848 2.069 12.366 1.00 2.00 H new ATOM 0 HD2 PHE A 31 4.617 2.446 8.145 1.00 2.25 H new ATOM 0 HE1 PHE A 31 1.408 1.979 11.910 1.00 2.25 H new ATOM 0 HE2 PHE A 31 2.183 2.260 7.682 1.00 2.16 H new ATOM 0 HZ PHE A 31 0.579 2.059 9.568 1.00 1.22 H new ATOM 488 N GLN A 32 5.533 5.894 9.901 1.00 0.68 N ATOM 489 CA GLN A 32 4.558 6.717 9.234 1.00 0.73 C ATOM 490 C GLN A 32 4.341 6.060 7.884 1.00 0.58 C ATOM 491 O GLN A 32 4.982 5.062 7.546 1.00 0.69 O ATOM 492 CB GLN A 32 5.108 8.144 9.107 1.00 0.98 C ATOM 493 CG GLN A 32 5.336 8.776 10.489 1.00 1.30 C ATOM 494 CD GLN A 32 4.047 8.911 11.296 1.00 2.80 C ATOM 495 OE1 GLN A 32 3.399 9.955 11.264 1.00 3.74 O ATOM 496 NE2 GLN A 32 3.615 7.861 11.980 1.00 4.05 N ATOM 0 H GLN A 32 6.493 6.085 9.613 1.00 0.68 H new ATOM 0 HA GLN A 32 3.614 6.796 9.773 1.00 0.73 H new ATOM 0 HB2 GLN A 32 6.046 8.127 8.553 1.00 0.98 H new ATOM 0 HB3 GLN A 32 4.411 8.756 8.535 1.00 0.98 H new ATOM 0 HG2 GLN A 32 6.048 8.169 11.048 1.00 1.30 H new ATOM 0 HG3 GLN A 32 5.786 9.761 10.364 1.00 1.30 H new ATOM 0 HE21 GLN A 32 4.165 7.002 11.997 1.00 4.05 H new ATOM 0 HE22 GLN A 32 2.733 7.912 12.490 1.00 4.05 H new ATOM 505 N TYR A 33 3.474 6.643 7.078 1.00 0.55 N ATOM 506 CA TYR A 33 3.232 6.181 5.736 1.00 0.54 C ATOM 507 C TYR A 33 3.143 7.421 4.859 1.00 0.50 C ATOM 508 O TYR A 33 2.990 8.524 5.389 1.00 0.64 O ATOM 509 CB TYR A 33 1.946 5.332 5.727 1.00 0.75 C ATOM 510 CG TYR A 33 0.597 6.040 5.610 1.00 0.80 C ATOM 511 CD1 TYR A 33 0.279 7.214 6.323 1.00 1.71 C ATOM 512 CD2 TYR A 33 -0.394 5.459 4.803 1.00 2.09 C ATOM 513 CE1 TYR A 33 -0.944 7.873 6.083 1.00 1.76 C ATOM 514 CE2 TYR A 33 -1.577 6.145 4.505 1.00 2.11 C ATOM 515 CZ TYR A 33 -1.849 7.365 5.132 1.00 0.99 C ATOM 516 OH TYR A 33 -2.966 8.057 4.764 1.00 1.15 O ATOM 0 H TYR A 33 2.917 7.455 7.343 1.00 0.55 H new ATOM 0 HA TYR A 33 4.026 5.540 5.353 1.00 0.54 H new ATOM 0 HB2 TYR A 33 2.022 4.627 4.899 1.00 0.75 H new ATOM 0 HB3 TYR A 33 1.932 4.745 6.645 1.00 0.75 H new ATOM 0 HD1 TYR A 33 0.971 7.608 7.052 1.00 1.71 H new ATOM 0 HD2 TYR A 33 -0.241 4.466 4.406 1.00 2.09 H new ATOM 0 HE1 TYR A 33 -1.188 8.771 6.631 1.00 1.76 H new ATOM 0 HE2 TYR A 33 -2.277 5.734 3.793 1.00 2.11 H new ATOM 0 HH TYR A 33 -3.355 8.492 5.551 1.00 1.15 H new ATOM 526 N GLN A 34 3.221 7.266 3.543 1.00 0.60 N ATOM 527 CA GLN A 34 2.804 8.320 2.642 1.00 0.76 C ATOM 528 C GLN A 34 2.106 7.696 1.455 1.00 0.63 C ATOM 529 O GLN A 34 2.608 6.780 0.805 1.00 0.73 O ATOM 530 CB GLN A 34 3.966 9.205 2.209 1.00 1.08 C ATOM 531 CG GLN A 34 3.489 10.373 1.335 1.00 2.00 C ATOM 532 CD GLN A 34 4.611 11.375 1.104 1.00 2.20 C ATOM 533 OE1 GLN A 34 5.723 11.008 0.737 1.00 2.50 O ATOM 534 NE2 GLN A 34 4.371 12.656 1.330 1.00 3.32 N ATOM 0 H GLN A 34 3.568 6.424 3.083 1.00 0.60 H new ATOM 0 HA GLN A 34 2.112 8.978 3.167 1.00 0.76 H new ATOM 0 HB2 GLN A 34 4.477 9.594 3.090 1.00 1.08 H new ATOM 0 HB3 GLN A 34 4.692 8.609 1.657 1.00 1.08 H new ATOM 0 HG2 GLN A 34 3.133 9.993 0.377 1.00 2.00 H new ATOM 0 HG3 GLN A 34 2.646 10.870 1.815 1.00 2.00 H new ATOM 0 HE21 GLN A 34 3.445 12.955 1.635 1.00 3.32 H new ATOM 0 HE22 GLN A 34 5.112 13.345 1.199 1.00 3.32 H new ATOM 543 N TYR A 35 0.927 8.221 1.188 1.00 1.13 N ATOM 544 CA TYR A 35 0.165 7.885 0.016 1.00 1.00 C ATOM 545 C TYR A 35 0.645 8.765 -1.125 1.00 1.06 C ATOM 546 O TYR A 35 0.899 9.955 -0.927 1.00 1.34 O ATOM 547 CB TYR A 35 -1.323 8.033 0.314 1.00 1.14 C ATOM 548 CG TYR A 35 -2.204 7.524 -0.798 1.00 1.00 C ATOM 549 CD1 TYR A 35 -2.486 8.360 -1.894 1.00 1.69 C ATOM 550 CD2 TYR A 35 -2.788 6.251 -0.713 1.00 2.28 C ATOM 551 CE1 TYR A 35 -3.413 7.956 -2.865 1.00 1.85 C ATOM 552 CE2 TYR A 35 -3.721 5.853 -1.681 1.00 2.22 C ATOM 553 CZ TYR A 35 -4.065 6.725 -2.724 1.00 1.15 C ATOM 554 OH TYR A 35 -5.052 6.389 -3.598 1.00 1.45 O ATOM 0 H TYR A 35 0.470 8.903 1.793 1.00 1.13 H new ATOM 0 HA TYR A 35 0.313 6.846 -0.280 1.00 1.00 H new ATOM 0 HB2 TYR A 35 -1.559 7.494 1.231 1.00 1.14 H new ATOM 0 HB3 TYR A 35 -1.548 9.084 0.495 1.00 1.14 H new ATOM 0 HD1 TYR A 35 -1.988 9.314 -1.987 1.00 1.69 H new ATOM 0 HD2 TYR A 35 -2.521 5.583 0.092 1.00 2.28 H new ATOM 0 HE1 TYR A 35 -3.622 8.589 -3.715 1.00 1.85 H new ATOM 0 HE2 TYR A 35 -4.175 4.875 -1.623 1.00 2.22 H new ATOM 0 HH TYR A 35 -5.405 5.504 -3.368 1.00 1.45 H new ATOM 564 N VAL A 36 0.794 8.165 -2.299 1.00 0.92 N ATOM 565 CA VAL A 36 1.389 8.762 -3.470 1.00 1.08 C ATOM 566 C VAL A 36 0.392 8.589 -4.615 1.00 1.06 C ATOM 567 O VAL A 36 -0.076 7.480 -4.895 1.00 1.04 O ATOM 568 CB VAL A 36 2.751 8.093 -3.718 1.00 1.07 C ATOM 569 CG1 VAL A 36 3.365 8.583 -5.027 1.00 1.43 C ATOM 570 CG2 VAL A 36 3.717 8.444 -2.571 1.00 1.22 C ATOM 0 H VAL A 36 0.487 7.206 -2.460 1.00 0.92 H new ATOM 0 HA VAL A 36 1.587 9.828 -3.360 1.00 1.08 H new ATOM 0 HB VAL A 36 2.594 7.016 -3.771 1.00 1.07 H new ATOM 0 HG11 VAL A 36 4.328 8.096 -5.182 1.00 1.43 H new ATOM 0 HG12 VAL A 36 2.699 8.340 -5.855 1.00 1.43 H new ATOM 0 HG13 VAL A 36 3.507 9.663 -4.980 1.00 1.43 H new ATOM 0 HG21 VAL A 36 4.682 7.969 -2.749 1.00 1.22 H new ATOM 0 HG22 VAL A 36 3.848 9.525 -2.524 1.00 1.22 H new ATOM 0 HG23 VAL A 36 3.306 8.087 -1.627 1.00 1.22 H new ATOM 580 N ASP A 37 0.027 9.699 -5.255 1.00 1.28 N ATOM 581 CA ASP A 37 -0.917 9.680 -6.354 1.00 1.41 C ATOM 582 C ASP A 37 -0.232 9.121 -7.585 1.00 1.31 C ATOM 583 O ASP A 37 0.723 9.706 -8.096 1.00 1.22 O ATOM 584 CB ASP A 37 -1.432 11.086 -6.697 1.00 1.55 C ATOM 585 CG ASP A 37 -2.269 11.699 -5.610 1.00 2.29 C ATOM 586 OD1 ASP A 37 -3.442 11.289 -5.501 1.00 2.42 O ATOM 587 OD2 ASP A 37 -1.785 12.639 -4.950 1.00 3.52 O ATOM 0 H ASP A 37 0.379 10.628 -5.023 1.00 1.28 H new ATOM 0 HA ASP A 37 -1.763 9.064 -6.049 1.00 1.41 H new ATOM 0 HB2 ASP A 37 -0.581 11.736 -6.900 1.00 1.55 H new ATOM 0 HB3 ASP A 37 -2.021 11.035 -7.613 1.00 1.55 H new ATOM 592 N ILE A 38 -0.826 8.098 -8.188 1.00 1.54 N ATOM 593 CA ILE A 38 -0.443 7.721 -9.527 1.00 1.65 C ATOM 594 C ILE A 38 -0.743 8.841 -10.531 1.00 1.79 C ATOM 595 O ILE A 38 -0.339 8.723 -11.680 1.00 1.79 O ATOM 596 CB ILE A 38 -1.119 6.411 -9.930 1.00 1.96 C ATOM 597 CG1 ILE A 38 -2.639 6.571 -10.074 1.00 2.31 C ATOM 598 CG2 ILE A 38 -0.750 5.276 -8.959 1.00 2.08 C ATOM 599 CD1 ILE A 38 -3.194 5.460 -10.960 1.00 2.44 C ATOM 0 H ILE A 38 -1.562 7.528 -7.772 1.00 1.54 H new ATOM 0 HA ILE A 38 0.635 7.561 -9.539 1.00 1.65 H new ATOM 0 HB ILE A 38 -0.741 6.136 -10.914 1.00 1.96 H new ATOM 0 HG12 ILE A 38 -3.112 6.537 -9.093 1.00 2.31 H new ATOM 0 HG13 ILE A 38 -2.872 7.544 -10.506 1.00 2.31 H new ATOM 0 HG21 ILE A 38 -1.245 4.356 -9.270 1.00 2.08 H new ATOM 0 HG22 ILE A 38 0.330 5.128 -8.966 1.00 2.08 H new ATOM 0 HG23 ILE A 38 -1.073 5.539 -7.952 1.00 2.08 H new ATOM 0 HD11 ILE A 38 -4.273 5.578 -11.059 1.00 2.44 H new ATOM 0 HD12 ILE A 38 -2.731 5.515 -11.945 1.00 2.44 H new ATOM 0 HD13 ILE A 38 -2.975 4.492 -10.510 1.00 2.44 H new ATOM 611 N ARG A 39 -1.462 9.902 -10.156 1.00 2.19 N ATOM 612 CA ARG A 39 -1.536 11.133 -10.942 1.00 2.58 C ATOM 613 C ARG A 39 -0.269 11.972 -10.870 1.00 2.30 C ATOM 614 O ARG A 39 0.132 12.582 -11.855 1.00 2.64 O ATOM 615 CB ARG A 39 -2.803 11.964 -10.677 1.00 3.52 C ATOM 616 CG ARG A 39 -4.100 11.184 -10.430 1.00 3.59 C ATOM 617 CD ARG A 39 -4.771 10.928 -11.787 1.00 3.50 C ATOM 618 NE ARG A 39 -5.959 10.073 -11.656 1.00 3.99 N ATOM 619 CZ ARG A 39 -6.012 8.744 -11.837 1.00 4.46 C ATOM 620 NH1 ARG A 39 -4.973 8.065 -12.330 1.00 5.10 N ATOM 621 NH2 ARG A 39 -7.114 8.091 -11.477 1.00 5.39 N ATOM 0 H ARG A 39 -2.010 9.930 -9.296 1.00 2.19 H new ATOM 0 HA ARG A 39 -1.617 10.792 -11.974 1.00 2.58 H new ATOM 0 HB2 ARG A 39 -2.618 12.599 -9.811 1.00 3.52 H new ATOM 0 HB3 ARG A 39 -2.961 12.625 -11.529 1.00 3.52 H new ATOM 0 HG2 ARG A 39 -3.887 10.241 -9.927 1.00 3.59 H new ATOM 0 HG3 ARG A 39 -4.765 11.749 -9.777 1.00 3.59 H new ATOM 0 HD2 ARG A 39 -5.056 11.879 -12.237 1.00 3.50 H new ATOM 0 HD3 ARG A 39 -4.057 10.457 -12.462 1.00 3.50 H new ATOM 0 HE ARG A 39 -6.831 10.536 -11.402 1.00 3.99 H new ATOM 0 HH11 ARG A 39 -4.114 8.556 -12.578 1.00 5.10 H new ATOM 0 HH12 ARG A 39 -5.038 7.055 -12.458 1.00 5.10 H new ATOM 0 HH21 ARG A 39 -7.899 8.600 -11.072 1.00 5.39 H new ATOM 0 HH22 ARG A 39 -7.174 7.081 -11.607 1.00 5.39 H new ATOM 635 N ALA A 40 0.383 11.959 -9.718 1.00 2.25 N ATOM 636 CA ALA A 40 1.680 12.595 -9.556 1.00 2.32 C ATOM 637 C ALA A 40 2.701 11.826 -10.386 1.00 1.89 C ATOM 638 O ALA A 40 3.392 12.394 -11.232 1.00 2.14 O ATOM 639 CB ALA A 40 2.085 12.647 -8.081 1.00 2.52 C ATOM 0 H ALA A 40 0.030 11.510 -8.873 1.00 2.25 H new ATOM 0 HA ALA A 40 1.632 13.626 -9.905 1.00 2.32 H new ATOM 0 HB1 ALA A 40 3.059 13.127 -7.988 1.00 2.52 H new ATOM 0 HB2 ALA A 40 1.344 13.217 -7.520 1.00 2.52 H new ATOM 0 HB3 ALA A 40 2.141 11.634 -7.683 1.00 2.52 H new ATOM 645 N GLU A 41 2.782 10.520 -10.147 1.00 1.49 N ATOM 646 CA GLU A 41 3.768 9.668 -10.783 1.00 1.63 C ATOM 647 C GLU A 41 3.424 9.354 -12.236 1.00 1.56 C ATOM 648 O GLU A 41 4.293 9.323 -13.107 1.00 1.95 O ATOM 649 CB GLU A 41 3.929 8.417 -9.939 1.00 1.86 C ATOM 650 CG GLU A 41 4.516 8.818 -8.581 1.00 2.03 C ATOM 651 CD GLU A 41 5.608 7.842 -8.234 1.00 2.90 C ATOM 652 OE1 GLU A 41 6.688 7.979 -8.852 1.00 3.19 O ATOM 653 OE2 GLU A 41 5.309 6.918 -7.457 1.00 4.13 O ATOM 0 H GLU A 41 2.162 10.027 -9.505 1.00 1.49 H new ATOM 0 HA GLU A 41 4.721 10.195 -10.834 1.00 1.63 H new ATOM 0 HB2 GLU A 41 2.966 7.924 -9.805 1.00 1.86 H new ATOM 0 HB3 GLU A 41 4.585 7.704 -10.439 1.00 1.86 H new ATOM 0 HG2 GLU A 41 4.912 9.833 -8.623 1.00 2.03 H new ATOM 0 HG3 GLU A 41 3.741 8.810 -7.815 1.00 2.03 H new ATOM 660 N GLY A 42 2.149 9.114 -12.505 1.00 1.49 N ATOM 661 CA GLY A 42 1.648 8.750 -13.817 1.00 1.80 C ATOM 662 C GLY A 42 1.669 7.239 -14.047 1.00 1.97 C ATOM 663 O GLY A 42 1.488 6.790 -15.180 1.00 2.70 O ATOM 0 H GLY A 42 1.417 9.169 -11.796 1.00 1.49 H new ATOM 0 HA2 GLY A 42 0.628 9.118 -13.929 1.00 1.80 H new ATOM 0 HA3 GLY A 42 2.250 9.240 -14.582 1.00 1.80 H new ATOM 667 N ILE A 43 1.892 6.446 -13.000 1.00 1.49 N ATOM 668 CA ILE A 43 2.338 5.069 -13.152 1.00 1.29 C ATOM 669 C ILE A 43 1.170 4.109 -13.404 1.00 1.34 C ATOM 670 O ILE A 43 0.068 4.252 -12.864 1.00 1.52 O ATOM 671 CB ILE A 43 3.254 4.691 -11.967 1.00 0.88 C ATOM 672 CG1 ILE A 43 4.723 4.640 -12.414 1.00 1.46 C ATOM 673 CG2 ILE A 43 2.912 3.346 -11.319 1.00 1.06 C ATOM 674 CD1 ILE A 43 5.232 5.968 -12.972 1.00 2.24 C ATOM 0 H ILE A 43 1.769 6.740 -12.031 1.00 1.49 H new ATOM 0 HA ILE A 43 2.944 4.973 -14.053 1.00 1.29 H new ATOM 0 HB ILE A 43 3.090 5.471 -11.224 1.00 0.88 H new ATOM 0 HG12 ILE A 43 5.343 4.348 -11.567 1.00 1.46 H new ATOM 0 HG13 ILE A 43 4.838 3.867 -13.174 1.00 1.46 H new ATOM 0 HG21 ILE A 43 3.600 3.153 -10.496 1.00 1.06 H new ATOM 0 HG22 ILE A 43 1.891 3.374 -10.939 1.00 1.06 H new ATOM 0 HG23 ILE A 43 3.002 2.552 -12.060 1.00 1.06 H new ATOM 0 HD11 ILE A 43 6.276 5.862 -13.269 1.00 2.24 H new ATOM 0 HD12 ILE A 43 4.635 6.251 -13.839 1.00 2.24 H new ATOM 0 HD13 ILE A 43 5.149 6.740 -12.207 1.00 2.24 H new ATOM 686 N THR A 44 1.427 3.144 -14.279 1.00 1.28 N ATOM 687 CA THR A 44 0.476 2.266 -14.903 1.00 1.25 C ATOM 688 C THR A 44 0.590 0.871 -14.292 1.00 0.98 C ATOM 689 O THR A 44 1.543 0.553 -13.585 1.00 0.91 O ATOM 690 CB THR A 44 0.795 2.334 -16.405 1.00 1.47 C ATOM 691 OG1 THR A 44 2.179 2.572 -16.596 1.00 1.87 O ATOM 692 CG2 THR A 44 0.117 3.559 -17.006 1.00 2.27 C ATOM 0 H THR A 44 2.380 2.950 -14.586 1.00 1.28 H new ATOM 0 HA THR A 44 -0.564 2.550 -14.746 1.00 1.25 H new ATOM 0 HB THR A 44 0.468 1.398 -16.857 1.00 1.47 H new ATOM 0 HG1 THR A 44 2.375 2.612 -17.555 1.00 1.87 H new ATOM 0 HG21 THR A 44 0.340 3.612 -18.072 1.00 2.27 H new ATOM 0 HG22 THR A 44 -0.961 3.484 -16.864 1.00 2.27 H new ATOM 0 HG23 THR A 44 0.486 4.458 -16.513 1.00 2.27 H new ATOM 700 N LYS A 45 -0.444 0.063 -14.498 1.00 1.05 N ATOM 701 CA LYS A 45 -0.620 -1.225 -13.854 1.00 1.05 C ATOM 702 C LYS A 45 0.597 -2.133 -14.002 1.00 0.88 C ATOM 703 O LYS A 45 1.067 -2.730 -13.033 1.00 0.82 O ATOM 704 CB LYS A 45 -1.840 -1.868 -14.521 1.00 1.28 C ATOM 705 CG LYS A 45 -2.357 -3.071 -13.740 1.00 1.64 C ATOM 706 CD LYS A 45 -3.461 -3.741 -14.564 1.00 2.34 C ATOM 707 CE LYS A 45 -4.017 -4.981 -13.863 1.00 3.31 C ATOM 708 NZ LYS A 45 -4.751 -4.635 -12.630 1.00 3.78 N ATOM 0 H LYS A 45 -1.203 0.297 -15.138 1.00 1.05 H new ATOM 0 HA LYS A 45 -0.755 -1.085 -12.781 1.00 1.05 H new ATOM 0 HB2 LYS A 45 -2.635 -1.127 -14.612 1.00 1.28 H new ATOM 0 HB3 LYS A 45 -1.577 -2.179 -15.532 1.00 1.28 H new ATOM 0 HG2 LYS A 45 -1.547 -3.775 -13.547 1.00 1.64 H new ATOM 0 HG3 LYS A 45 -2.744 -2.757 -12.771 1.00 1.64 H new ATOM 0 HD2 LYS A 45 -4.268 -3.029 -14.738 1.00 2.34 H new ATOM 0 HD3 LYS A 45 -3.067 -4.021 -15.541 1.00 2.34 H new ATOM 0 HE2 LYS A 45 -4.681 -5.515 -14.543 1.00 3.31 H new ATOM 0 HE3 LYS A 45 -3.198 -5.658 -13.620 1.00 3.31 H new ATOM 0 HZ1 LYS A 45 -4.965 -5.503 -12.098 1.00 3.78 H new ATOM 0 HZ2 LYS A 45 -4.167 -4.004 -12.044 1.00 3.78 H new ATOM 0 HZ3 LYS A 45 -5.639 -4.154 -12.878 1.00 3.78 H new ATOM 722 N GLU A 46 1.059 -2.297 -15.233 1.00 0.92 N ATOM 723 CA GLU A 46 2.143 -3.176 -15.531 1.00 0.89 C ATOM 724 C GLU A 46 3.419 -2.691 -14.842 1.00 0.74 C ATOM 725 O GLU A 46 4.154 -3.520 -14.300 1.00 0.69 O ATOM 726 CB GLU A 46 2.231 -3.296 -17.050 1.00 1.11 C ATOM 727 CG GLU A 46 0.876 -3.537 -17.738 1.00 2.45 C ATOM 728 CD GLU A 46 1.085 -3.807 -19.207 1.00 2.61 C ATOM 729 OE1 GLU A 46 1.574 -4.903 -19.547 1.00 3.31 O ATOM 730 OE2 GLU A 46 0.801 -2.881 -19.998 1.00 3.05 O ATOM 0 H GLU A 46 0.679 -1.814 -16.047 1.00 0.92 H new ATOM 0 HA GLU A 46 1.987 -4.180 -15.136 1.00 0.89 H new ATOM 0 HB2 GLU A 46 2.674 -2.384 -17.451 1.00 1.11 H new ATOM 0 HB3 GLU A 46 2.905 -4.115 -17.301 1.00 1.11 H new ATOM 0 HG2 GLU A 46 0.368 -4.382 -17.273 1.00 2.45 H new ATOM 0 HG3 GLU A 46 0.233 -2.667 -17.608 1.00 2.45 H new ATOM 737 N ASP A 47 3.659 -1.373 -14.815 1.00 0.76 N ATOM 738 CA ASP A 47 4.806 -0.827 -14.114 1.00 0.74 C ATOM 739 C ASP A 47 4.693 -1.198 -12.655 1.00 0.69 C ATOM 740 O ASP A 47 5.609 -1.772 -12.089 1.00 0.68 O ATOM 741 CB ASP A 47 4.880 0.698 -14.210 1.00 0.82 C ATOM 742 CG ASP A 47 6.048 1.181 -13.376 1.00 0.89 C ATOM 743 OD1 ASP A 47 7.185 1.037 -13.867 1.00 1.48 O ATOM 744 OD2 ASP A 47 5.849 1.692 -12.253 1.00 1.77 O ATOM 0 H ASP A 47 3.071 -0.676 -15.272 1.00 0.76 H new ATOM 0 HA ASP A 47 5.703 -1.239 -14.576 1.00 0.74 H new ATOM 0 HB2 ASP A 47 5.004 1.006 -15.248 1.00 0.82 H new ATOM 0 HB3 ASP A 47 3.951 1.144 -13.854 1.00 0.82 H new ATOM 749 N LEU A 48 3.554 -0.873 -12.056 1.00 0.70 N ATOM 750 CA LEU A 48 3.255 -1.192 -10.678 1.00 0.70 C ATOM 751 C LEU A 48 3.639 -2.625 -10.335 1.00 0.62 C ATOM 752 O LEU A 48 4.482 -2.847 -9.471 1.00 0.61 O ATOM 753 CB LEU A 48 1.756 -0.937 -10.457 1.00 0.78 C ATOM 754 CG LEU A 48 1.527 0.438 -9.848 1.00 0.94 C ATOM 755 CD1 LEU A 48 0.178 1.022 -10.275 1.00 1.23 C ATOM 756 CD2 LEU A 48 1.572 0.319 -8.328 1.00 1.40 C ATOM 0 H LEU A 48 2.802 -0.371 -12.529 1.00 0.70 H new ATOM 0 HA LEU A 48 3.844 -0.560 -10.013 1.00 0.70 H new ATOM 0 HB2 LEU A 48 1.226 -1.012 -11.406 1.00 0.78 H new ATOM 0 HB3 LEU A 48 1.345 -1.704 -9.800 1.00 0.78 H new ATOM 0 HG LEU A 48 2.310 1.108 -10.202 1.00 0.94 H new ATOM 0 HD11 LEU A 48 0.047 2.005 -9.822 1.00 1.23 H new ATOM 0 HD12 LEU A 48 0.150 1.116 -11.361 1.00 1.23 H new ATOM 0 HD13 LEU A 48 -0.625 0.361 -9.947 1.00 1.23 H new ATOM 0 HD21 LEU A 48 1.409 1.300 -7.881 1.00 1.40 H new ATOM 0 HD22 LEU A 48 0.793 -0.366 -7.993 1.00 1.40 H new ATOM 0 HD23 LEU A 48 2.546 -0.062 -8.022 1.00 1.40 H new ATOM 768 N GLN A 49 3.035 -3.601 -11.004 1.00 0.72 N ATOM 769 CA GLN A 49 3.290 -5.003 -10.752 1.00 0.76 C ATOM 770 C GLN A 49 4.772 -5.368 -10.965 1.00 0.70 C ATOM 771 O GLN A 49 5.330 -6.197 -10.242 1.00 0.70 O ATOM 772 CB GLN A 49 2.268 -5.799 -11.572 1.00 0.94 C ATOM 773 CG GLN A 49 2.876 -6.714 -12.627 1.00 1.01 C ATOM 774 CD GLN A 49 1.820 -7.265 -13.574 1.00 1.21 C ATOM 775 OE1 GLN A 49 2.061 -7.330 -14.776 1.00 1.42 O ATOM 776 NE2 GLN A 49 0.652 -7.649 -13.071 1.00 1.55 N ATOM 0 H GLN A 49 2.350 -3.434 -11.741 1.00 0.72 H new ATOM 0 HA GLN A 49 3.143 -5.266 -9.704 1.00 0.76 H new ATOM 0 HB2 GLN A 49 1.665 -6.401 -10.892 1.00 0.94 H new ATOM 0 HB3 GLN A 49 1.592 -5.099 -12.063 1.00 0.94 H new ATOM 0 HG2 GLN A 49 3.624 -6.164 -13.198 1.00 1.01 H new ATOM 0 HG3 GLN A 49 3.392 -7.540 -12.138 1.00 1.01 H new ATOM 0 HE21 GLN A 49 0.482 -7.583 -12.067 1.00 1.55 H new ATOM 0 HE22 GLN A 49 -0.075 -8.010 -13.688 1.00 1.55 H new ATOM 785 N GLN A 50 5.443 -4.775 -11.954 1.00 0.70 N ATOM 786 CA GLN A 50 6.835 -5.120 -12.199 1.00 0.75 C ATOM 787 C GLN A 50 7.750 -4.481 -11.151 1.00 0.65 C ATOM 788 O GLN A 50 8.691 -5.121 -10.695 1.00 0.73 O ATOM 789 CB GLN A 50 7.237 -4.806 -13.642 1.00 1.05 C ATOM 790 CG GLN A 50 8.427 -5.687 -14.052 1.00 1.49 C ATOM 791 CD GLN A 50 8.762 -5.563 -15.531 1.00 1.93 C ATOM 792 OE1 GLN A 50 8.084 -4.865 -16.287 1.00 2.53 O ATOM 793 NE2 GLN A 50 9.817 -6.221 -15.979 1.00 3.15 N ATOM 0 H GLN A 50 5.053 -4.072 -12.581 1.00 0.70 H new ATOM 0 HA GLN A 50 6.956 -6.197 -12.086 1.00 0.75 H new ATOM 0 HB2 GLN A 50 6.394 -4.982 -14.311 1.00 1.05 H new ATOM 0 HB3 GLN A 50 7.503 -3.753 -13.735 1.00 1.05 H new ATOM 0 HG2 GLN A 50 9.300 -5.411 -13.461 1.00 1.49 H new ATOM 0 HG3 GLN A 50 8.201 -6.728 -13.820 1.00 1.49 H new ATOM 0 HE21 GLN A 50 10.369 -6.795 -15.341 1.00 3.15 H new ATOM 0 HE22 GLN A 50 10.080 -6.155 -16.962 1.00 3.15 H new ATOM 802 N LYS A 51 7.460 -3.258 -10.708 1.00 0.68 N ATOM 803 CA LYS A 51 8.223 -2.563 -9.679 1.00 0.82 C ATOM 804 C LYS A 51 8.030 -3.294 -8.355 1.00 0.86 C ATOM 805 O LYS A 51 8.978 -3.544 -7.612 1.00 1.02 O ATOM 806 CB LYS A 51 7.769 -1.097 -9.596 1.00 0.94 C ATOM 807 CG LYS A 51 8.946 -0.156 -9.281 1.00 1.30 C ATOM 808 CD LYS A 51 8.697 1.328 -9.601 1.00 2.26 C ATOM 809 CE LYS A 51 7.436 1.895 -8.947 1.00 2.40 C ATOM 810 NZ LYS A 51 6.209 1.529 -9.680 1.00 3.98 N ATOM 0 H LYS A 51 6.673 -2.715 -11.063 1.00 0.68 H new ATOM 0 HA LYS A 51 9.286 -2.560 -9.922 1.00 0.82 H new ATOM 0 HB2 LYS A 51 7.311 -0.804 -10.540 1.00 0.94 H new ATOM 0 HB3 LYS A 51 7.005 -0.995 -8.825 1.00 0.94 H new ATOM 0 HG2 LYS A 51 9.191 -0.248 -8.223 1.00 1.30 H new ATOM 0 HG3 LYS A 51 9.819 -0.491 -9.841 1.00 1.30 H new ATOM 0 HD2 LYS A 51 9.558 1.910 -9.274 1.00 2.26 H new ATOM 0 HD3 LYS A 51 8.621 1.450 -10.682 1.00 2.26 H new ATOM 0 HE2 LYS A 51 7.366 1.530 -7.922 1.00 2.40 H new ATOM 0 HE3 LYS A 51 7.514 2.981 -8.894 1.00 2.40 H new ATOM 0 HZ1 LYS A 51 5.540 2.325 -9.657 1.00 3.98 H new ATOM 0 HZ2 LYS A 51 6.448 1.306 -10.667 1.00 3.98 H new ATOM 0 HZ3 LYS A 51 5.772 0.698 -9.233 1.00 3.98 H new ATOM 824 N ALA A 52 6.778 -3.656 -8.087 1.00 0.80 N ATOM 825 CA ALA A 52 6.398 -4.578 -7.033 1.00 0.85 C ATOM 826 C ALA A 52 7.178 -5.884 -7.153 1.00 0.87 C ATOM 827 O ALA A 52 7.473 -6.521 -6.146 1.00 1.00 O ATOM 828 CB ALA A 52 4.896 -4.853 -7.122 1.00 0.83 C ATOM 0 H ALA A 52 5.980 -3.303 -8.616 1.00 0.80 H new ATOM 0 HA ALA A 52 6.632 -4.130 -6.067 1.00 0.85 H new ATOM 0 HB1 ALA A 52 4.605 -5.545 -6.332 1.00 0.83 H new ATOM 0 HB2 ALA A 52 4.347 -3.918 -7.005 1.00 0.83 H new ATOM 0 HB3 ALA A 52 4.663 -5.291 -8.092 1.00 0.83 H new ATOM 834 N GLY A 53 7.484 -6.295 -8.380 1.00 0.82 N ATOM 835 CA GLY A 53 8.194 -7.526 -8.661 1.00 0.93 C ATOM 836 C GLY A 53 7.299 -8.720 -8.366 1.00 0.97 C ATOM 837 O GLY A 53 7.797 -9.806 -8.070 1.00 1.21 O ATOM 0 H GLY A 53 7.238 -5.768 -9.218 1.00 0.82 H new ATOM 0 HA2 GLY A 53 8.508 -7.545 -9.705 1.00 0.93 H new ATOM 0 HA3 GLY A 53 9.099 -7.580 -8.055 1.00 0.93 H new ATOM 841 N LYS A 54 5.981 -8.533 -8.448 1.00 0.95 N ATOM 842 CA LYS A 54 5.000 -9.591 -8.313 1.00 1.09 C ATOM 843 C LYS A 54 3.887 -9.290 -9.310 1.00 0.99 C ATOM 844 O LYS A 54 3.541 -8.122 -9.493 1.00 0.86 O ATOM 845 CB LYS A 54 4.433 -9.630 -6.886 1.00 1.26 C ATOM 846 CG LYS A 54 5.220 -10.578 -5.976 1.00 2.38 C ATOM 847 CD LYS A 54 4.665 -10.480 -4.550 1.00 2.44 C ATOM 848 CE LYS A 54 5.224 -11.584 -3.645 1.00 3.69 C ATOM 849 NZ LYS A 54 4.431 -12.832 -3.672 1.00 3.59 N ATOM 0 H LYS A 54 5.564 -7.617 -8.614 1.00 0.95 H new ATOM 0 HA LYS A 54 5.455 -10.562 -8.509 1.00 1.09 H new ATOM 0 HB2 LYS A 54 4.450 -8.626 -6.463 1.00 1.26 H new ATOM 0 HB3 LYS A 54 3.390 -9.944 -6.920 1.00 1.26 H new ATOM 0 HG2 LYS A 54 5.140 -11.602 -6.341 1.00 2.38 H new ATOM 0 HG3 LYS A 54 6.278 -10.317 -5.986 1.00 2.38 H new ATOM 0 HD2 LYS A 54 4.913 -9.505 -4.130 1.00 2.44 H new ATOM 0 HD3 LYS A 54 3.577 -10.548 -4.578 1.00 2.44 H new ATOM 0 HE2 LYS A 54 6.247 -11.807 -3.948 1.00 3.69 H new ATOM 0 HE3 LYS A 54 5.269 -11.214 -2.621 1.00 3.69 H new ATOM 0 HZ1 LYS A 54 4.866 -13.533 -3.039 1.00 3.59 H new ATOM 0 HZ2 LYS A 54 3.461 -12.634 -3.355 1.00 3.59 H new ATOM 0 HZ3 LYS A 54 4.409 -13.208 -4.641 1.00 3.59 H new ATOM 863 N PRO A 55 3.305 -10.313 -9.939 1.00 1.15 N ATOM 864 CA PRO A 55 2.197 -10.148 -10.855 1.00 1.15 C ATOM 865 C PRO A 55 0.923 -9.863 -10.055 1.00 1.22 C ATOM 866 O PRO A 55 0.003 -10.678 -10.004 1.00 1.45 O ATOM 867 CB PRO A 55 2.154 -11.462 -11.625 1.00 1.44 C ATOM 868 CG PRO A 55 2.604 -12.478 -10.583 1.00 1.63 C ATOM 869 CD PRO A 55 3.675 -11.711 -9.815 1.00 1.46 C ATOM 0 HA PRO A 55 2.297 -9.310 -11.545 1.00 1.15 H new ATOM 0 HB2 PRO A 55 1.153 -11.680 -11.997 1.00 1.44 H new ATOM 0 HB3 PRO A 55 2.819 -11.447 -12.489 1.00 1.44 H new ATOM 0 HG2 PRO A 55 1.783 -12.786 -9.936 1.00 1.63 H new ATOM 0 HG3 PRO A 55 3.004 -13.382 -11.043 1.00 1.63 H new ATOM 0 HD2 PRO A 55 3.706 -12.019 -8.770 1.00 1.46 H new ATOM 0 HD3 PRO A 55 4.666 -11.895 -10.231 1.00 1.46 H new ATOM 877 N VAL A 56 0.866 -8.711 -9.387 1.00 1.17 N ATOM 878 CA VAL A 56 -0.346 -8.272 -8.721 1.00 1.24 C ATOM 879 C VAL A 56 -1.240 -7.645 -9.784 1.00 1.25 C ATOM 880 O VAL A 56 -0.768 -6.849 -10.599 1.00 1.30 O ATOM 881 CB VAL A 56 -0.055 -7.381 -7.496 1.00 1.24 C ATOM 882 CG1 VAL A 56 1.363 -6.804 -7.471 1.00 1.27 C ATOM 883 CG2 VAL A 56 -1.096 -6.277 -7.277 1.00 1.50 C ATOM 0 H VAL A 56 1.652 -8.067 -9.296 1.00 1.17 H new ATOM 0 HA VAL A 56 -0.881 -9.112 -8.278 1.00 1.24 H new ATOM 0 HB VAL A 56 -0.132 -8.069 -6.654 1.00 1.24 H new ATOM 0 HG11 VAL A 56 1.490 -6.189 -6.580 1.00 1.27 H new ATOM 0 HG12 VAL A 56 2.087 -7.619 -7.456 1.00 1.27 H new ATOM 0 HG13 VAL A 56 1.523 -6.193 -8.359 1.00 1.27 H new ATOM 0 HG21 VAL A 56 -0.826 -5.691 -6.398 1.00 1.50 H new ATOM 0 HG22 VAL A 56 -1.126 -5.627 -8.151 1.00 1.50 H new ATOM 0 HG23 VAL A 56 -2.077 -6.727 -7.125 1.00 1.50 H new ATOM 893 N GLU A 57 -2.514 -8.034 -9.786 1.00 1.39 N ATOM 894 CA GLU A 57 -3.516 -7.529 -10.713 1.00 1.53 C ATOM 895 C GLU A 57 -4.594 -6.723 -9.978 1.00 1.44 C ATOM 896 O GLU A 57 -5.502 -6.180 -10.612 1.00 1.76 O ATOM 897 CB GLU A 57 -4.106 -8.688 -11.531 1.00 1.86 C ATOM 898 CG GLU A 57 -4.389 -8.225 -12.965 1.00 2.09 C ATOM 899 CD GLU A 57 -5.151 -9.258 -13.748 1.00 2.95 C ATOM 900 OE1 GLU A 57 -6.289 -9.572 -13.344 1.00 3.64 O ATOM 901 OE2 GLU A 57 -4.640 -9.742 -14.771 1.00 3.89 O ATOM 0 H GLU A 57 -2.882 -8.722 -9.129 1.00 1.39 H new ATOM 0 HA GLU A 57 -3.040 -6.841 -11.411 1.00 1.53 H new ATOM 0 HB2 GLU A 57 -3.411 -9.528 -11.541 1.00 1.86 H new ATOM 0 HB3 GLU A 57 -5.026 -9.041 -11.066 1.00 1.86 H new ATOM 0 HG2 GLU A 57 -4.958 -7.296 -12.941 1.00 2.09 H new ATOM 0 HG3 GLU A 57 -3.447 -8.009 -13.469 1.00 2.09 H new ATOM 908 N THR A 58 -4.499 -6.618 -8.661 1.00 1.32 N ATOM 909 CA THR A 58 -5.365 -5.842 -7.797 1.00 1.26 C ATOM 910 C THR A 58 -4.639 -4.552 -7.389 1.00 1.19 C ATOM 911 O THR A 58 -3.500 -4.335 -7.808 1.00 1.21 O ATOM 912 CB THR A 58 -5.690 -6.765 -6.623 1.00 1.32 C ATOM 913 OG1 THR A 58 -4.524 -7.481 -6.257 1.00 1.47 O ATOM 914 CG2 THR A 58 -6.748 -7.775 -7.074 1.00 1.35 C ATOM 0 H THR A 58 -3.769 -7.103 -8.139 1.00 1.32 H new ATOM 0 HA THR A 58 -6.292 -5.518 -8.270 1.00 1.26 H new ATOM 0 HB THR A 58 -6.051 -6.176 -5.780 1.00 1.32 H new ATOM 0 HG1 THR A 58 -4.727 -8.073 -5.503 1.00 1.47 H new ATOM 0 HG21 THR A 58 -6.991 -8.442 -6.246 1.00 1.35 H new ATOM 0 HG22 THR A 58 -7.647 -7.245 -7.388 1.00 1.35 H new ATOM 0 HG23 THR A 58 -6.361 -8.359 -7.909 1.00 1.35 H new ATOM 922 N VAL A 59 -5.293 -3.668 -6.633 1.00 1.34 N ATOM 923 CA VAL A 59 -4.734 -2.401 -6.169 1.00 1.20 C ATOM 924 C VAL A 59 -5.321 -2.062 -4.784 1.00 1.00 C ATOM 925 O VAL A 59 -6.286 -2.708 -4.352 1.00 1.21 O ATOM 926 CB VAL A 59 -5.042 -1.300 -7.209 1.00 1.33 C ATOM 927 CG1 VAL A 59 -4.130 -1.456 -8.433 1.00 1.69 C ATOM 928 CG2 VAL A 59 -6.520 -1.279 -7.624 1.00 1.67 C ATOM 0 H VAL A 59 -6.252 -3.820 -6.319 1.00 1.34 H new ATOM 0 HA VAL A 59 -3.651 -2.474 -6.065 1.00 1.20 H new ATOM 0 HB VAL A 59 -4.839 -0.340 -6.735 1.00 1.33 H new ATOM 0 HG11 VAL A 59 -4.357 -0.674 -9.158 1.00 1.69 H new ATOM 0 HG12 VAL A 59 -3.088 -1.372 -8.124 1.00 1.69 H new ATOM 0 HG13 VAL A 59 -4.296 -2.432 -8.888 1.00 1.69 H new ATOM 0 HG21 VAL A 59 -6.681 -0.487 -8.356 1.00 1.67 H new ATOM 0 HG22 VAL A 59 -6.788 -2.240 -8.064 1.00 1.67 H new ATOM 0 HG23 VAL A 59 -7.141 -1.095 -6.748 1.00 1.67 H new ATOM 938 N PRO A 60 -4.797 -1.063 -4.052 1.00 0.72 N ATOM 939 CA PRO A 60 -3.565 -0.326 -4.296 1.00 0.61 C ATOM 940 C PRO A 60 -2.392 -1.254 -4.027 1.00 0.55 C ATOM 941 O PRO A 60 -2.582 -2.448 -3.805 1.00 0.65 O ATOM 942 CB PRO A 60 -3.590 0.834 -3.302 1.00 0.58 C ATOM 943 CG PRO A 60 -4.260 0.186 -2.103 1.00 0.60 C ATOM 944 CD PRO A 60 -5.310 -0.709 -2.745 1.00 0.69 C ATOM 0 HA PRO A 60 -3.472 0.041 -5.318 1.00 0.61 H new ATOM 0 HB2 PRO A 60 -2.589 1.196 -3.067 1.00 0.58 H new ATOM 0 HB3 PRO A 60 -4.156 1.686 -3.679 1.00 0.58 H new ATOM 0 HG2 PRO A 60 -3.552 -0.387 -1.505 1.00 0.60 H new ATOM 0 HG3 PRO A 60 -4.710 0.927 -1.442 1.00 0.60 H new ATOM 0 HD2 PRO A 60 -5.484 -1.600 -2.141 1.00 0.69 H new ATOM 0 HD3 PRO A 60 -6.265 -0.190 -2.829 1.00 0.69 H new ATOM 952 N GLN A 61 -1.181 -0.715 -4.093 1.00 0.54 N ATOM 953 CA GLN A 61 0.026 -1.505 -3.987 1.00 0.61 C ATOM 954 C GLN A 61 0.930 -0.768 -3.001 1.00 0.76 C ATOM 955 O GLN A 61 1.584 0.213 -3.361 1.00 0.95 O ATOM 956 CB GLN A 61 0.584 -1.750 -5.401 1.00 0.78 C ATOM 957 CG GLN A 61 -0.553 -2.314 -6.289 1.00 1.09 C ATOM 958 CD GLN A 61 -0.120 -2.841 -7.646 1.00 1.77 C ATOM 959 OE1 GLN A 61 -0.662 -2.465 -8.682 1.00 3.35 O ATOM 960 NE2 GLN A 61 0.838 -3.751 -7.651 1.00 2.02 N ATOM 0 H GLN A 61 -1.014 0.283 -4.222 1.00 0.54 H new ATOM 0 HA GLN A 61 -0.112 -2.510 -3.587 1.00 0.61 H new ATOM 0 HB2 GLN A 61 0.968 -0.821 -5.823 1.00 0.78 H new ATOM 0 HB3 GLN A 61 1.418 -2.451 -5.363 1.00 0.78 H new ATOM 0 HG2 GLN A 61 -1.049 -3.119 -5.747 1.00 1.09 H new ATOM 0 HG3 GLN A 61 -1.294 -1.530 -6.442 1.00 1.09 H new ATOM 0 HE21 GLN A 61 1.269 -4.043 -6.774 1.00 2.02 H new ATOM 0 HE22 GLN A 61 1.147 -4.162 -8.532 1.00 2.02 H new ATOM 969 N ILE A 62 0.864 -1.184 -1.735 1.00 0.70 N ATOM 970 CA ILE A 62 1.639 -0.629 -0.640 1.00 0.66 C ATOM 971 C ILE A 62 3.008 -1.306 -0.633 1.00 0.67 C ATOM 972 O ILE A 62 3.111 -2.502 -0.915 1.00 0.80 O ATOM 973 CB ILE A 62 0.899 -0.807 0.707 1.00 0.70 C ATOM 974 CG1 ILE A 62 -0.347 0.099 0.826 1.00 0.73 C ATOM 975 CG2 ILE A 62 1.845 -0.493 1.866 1.00 0.71 C ATOM 976 CD1 ILE A 62 -1.604 -0.669 0.471 1.00 1.35 C ATOM 0 H ILE A 62 0.247 -1.942 -1.441 1.00 0.70 H new ATOM 0 HA ILE A 62 1.771 0.444 -0.778 1.00 0.66 H new ATOM 0 HB ILE A 62 0.566 -1.844 0.748 1.00 0.70 H new ATOM 0 HG12 ILE A 62 -0.426 0.486 1.842 1.00 0.73 H new ATOM 0 HG13 ILE A 62 -0.242 0.959 0.165 1.00 0.73 H new ATOM 0 HG21 ILE A 62 1.317 -0.620 2.811 1.00 0.71 H new ATOM 0 HG22 ILE A 62 2.698 -1.170 1.833 1.00 0.71 H new ATOM 0 HG23 ILE A 62 2.195 0.536 1.782 1.00 0.71 H new ATOM 0 HD11 ILE A 62 -2.469 -0.012 0.561 1.00 1.35 H new ATOM 0 HD12 ILE A 62 -1.531 -1.033 -0.554 1.00 1.35 H new ATOM 0 HD13 ILE A 62 -1.718 -1.514 1.150 1.00 1.35 H new ATOM 988 N PHE A 63 4.041 -0.529 -0.308 1.00 0.57 N ATOM 989 CA PHE A 63 5.420 -0.939 -0.131 1.00 0.62 C ATOM 990 C PHE A 63 5.806 -0.545 1.293 1.00 0.65 C ATOM 991 O PHE A 63 5.735 0.630 1.638 1.00 0.78 O ATOM 992 CB PHE A 63 6.321 -0.227 -1.153 1.00 0.58 C ATOM 993 CG PHE A 63 6.161 -0.636 -2.613 1.00 0.56 C ATOM 994 CD1 PHE A 63 4.941 -0.445 -3.290 1.00 1.66 C ATOM 995 CD2 PHE A 63 7.279 -1.093 -3.336 1.00 1.87 C ATOM 996 CE1 PHE A 63 4.795 -0.861 -4.625 1.00 1.75 C ATOM 997 CE2 PHE A 63 7.159 -1.418 -4.699 1.00 1.82 C ATOM 998 CZ PHE A 63 5.905 -1.363 -5.327 1.00 0.66 C ATOM 0 H PHE A 63 3.920 0.472 -0.152 1.00 0.57 H new ATOM 0 HA PHE A 63 5.540 -2.011 -0.286 1.00 0.62 H new ATOM 0 HB2 PHE A 63 6.138 0.845 -1.079 1.00 0.58 H new ATOM 0 HB3 PHE A 63 7.359 -0.394 -0.865 1.00 0.58 H new ATOM 0 HD1 PHE A 63 4.112 0.024 -2.780 1.00 1.66 H new ATOM 0 HD2 PHE A 63 8.234 -1.195 -2.841 1.00 1.87 H new ATOM 0 HE1 PHE A 63 3.832 -0.795 -5.110 1.00 1.75 H new ATOM 0 HE2 PHE A 63 8.033 -1.710 -5.263 1.00 1.82 H new ATOM 0 HZ PHE A 63 5.793 -1.705 -6.345 1.00 0.66 H new ATOM 1008 N VAL A 64 6.152 -1.511 2.141 1.00 0.57 N ATOM 1009 CA VAL A 64 6.536 -1.291 3.529 1.00 0.51 C ATOM 1010 C VAL A 64 8.054 -1.146 3.567 1.00 0.64 C ATOM 1011 O VAL A 64 8.760 -2.132 3.333 1.00 0.90 O ATOM 1012 CB VAL A 64 6.022 -2.453 4.395 1.00 0.65 C ATOM 1013 CG1 VAL A 64 6.534 -2.351 5.833 1.00 0.79 C ATOM 1014 CG2 VAL A 64 4.491 -2.415 4.430 1.00 0.76 C ATOM 0 H VAL A 64 6.173 -2.495 1.872 1.00 0.57 H new ATOM 0 HA VAL A 64 6.092 -0.383 3.937 1.00 0.51 H new ATOM 0 HB VAL A 64 6.385 -3.383 3.956 1.00 0.65 H new ATOM 0 HG11 VAL A 64 6.151 -3.189 6.416 1.00 0.79 H new ATOM 0 HG12 VAL A 64 7.624 -2.377 5.834 1.00 0.79 H new ATOM 0 HG13 VAL A 64 6.193 -1.415 6.275 1.00 0.79 H new ATOM 0 HG21 VAL A 64 4.121 -3.237 5.043 1.00 0.76 H new ATOM 0 HG22 VAL A 64 4.160 -1.467 4.855 1.00 0.76 H new ATOM 0 HG23 VAL A 64 4.101 -2.514 3.417 1.00 0.76 H new ATOM 1024 N ASP A 65 8.540 0.074 3.819 1.00 0.69 N ATOM 1025 CA ASP A 65 9.923 0.526 3.714 1.00 1.05 C ATOM 1026 C ASP A 65 10.374 0.480 2.261 1.00 1.37 C ATOM 1027 O ASP A 65 10.673 1.516 1.667 1.00 3.06 O ATOM 1028 CB ASP A 65 10.883 -0.255 4.616 1.00 1.25 C ATOM 1029 CG ASP A 65 10.489 -0.223 6.070 1.00 1.66 C ATOM 1030 OD1 ASP A 65 10.469 0.884 6.644 1.00 2.71 O ATOM 1031 OD2 ASP A 65 10.385 -1.308 6.683 1.00 2.68 O ATOM 0 H ASP A 65 7.924 0.827 4.126 1.00 0.69 H new ATOM 0 HA ASP A 65 9.953 1.556 4.070 1.00 1.05 H new ATOM 0 HB2 ASP A 65 10.925 -1.291 4.280 1.00 1.25 H new ATOM 0 HB3 ASP A 65 11.887 0.156 4.509 1.00 1.25 H new ATOM 1036 N GLN A 66 10.402 -0.723 1.699 1.00 0.81 N ATOM 1037 CA GLN A 66 10.648 -1.043 0.319 1.00 0.80 C ATOM 1038 C GLN A 66 9.953 -2.340 -0.124 1.00 0.67 C ATOM 1039 O GLN A 66 9.813 -2.567 -1.326 1.00 0.94 O ATOM 1040 CB GLN A 66 12.156 -1.080 0.059 1.00 1.12 C ATOM 1041 CG GLN A 66 12.887 -2.005 1.038 1.00 3.28 C ATOM 1042 CD GLN A 66 14.309 -2.260 0.567 1.00 3.93 C ATOM 1043 OE1 GLN A 66 14.525 -3.026 -0.374 1.00 4.69 O ATOM 1044 NE2 GLN A 66 15.289 -1.631 1.199 1.00 4.38 N ATOM 0 H GLN A 66 10.238 -1.563 2.254 1.00 0.81 H new ATOM 0 HA GLN A 66 10.207 -0.256 -0.293 1.00 0.80 H new ATOM 0 HB2 GLN A 66 12.339 -1.416 -0.962 1.00 1.12 H new ATOM 0 HB3 GLN A 66 12.562 -0.072 0.141 1.00 1.12 H new ATOM 0 HG2 GLN A 66 12.901 -1.555 2.031 1.00 3.28 H new ATOM 0 HG3 GLN A 66 12.351 -2.950 1.124 1.00 3.28 H new ATOM 0 HE21 GLN A 66 15.076 -1.003 1.974 1.00 4.38 H new ATOM 0 HE22 GLN A 66 16.257 -1.774 0.910 1.00 4.38 H new ATOM 1053 N GLN A 67 9.521 -3.197 0.807 1.00 0.65 N ATOM 1054 CA GLN A 67 8.954 -4.491 0.489 1.00 0.69 C ATOM 1055 C GLN A 67 7.546 -4.208 -0.029 1.00 0.54 C ATOM 1056 O GLN A 67 6.657 -3.909 0.764 1.00 0.60 O ATOM 1057 CB GLN A 67 8.940 -5.340 1.776 1.00 0.79 C ATOM 1058 CG GLN A 67 7.922 -6.487 1.831 1.00 0.93 C ATOM 1059 CD GLN A 67 8.552 -7.794 1.372 1.00 1.17 C ATOM 1060 OE1 GLN A 67 8.730 -8.013 0.176 1.00 2.73 O ATOM 1061 NE2 GLN A 67 8.899 -8.671 2.302 1.00 1.75 N ATOM 0 H GLN A 67 9.560 -3.001 1.807 1.00 0.65 H new ATOM 0 HA GLN A 67 9.520 -5.045 -0.260 1.00 0.69 H new ATOM 0 HB2 GLN A 67 9.935 -5.761 1.917 1.00 0.79 H new ATOM 0 HB3 GLN A 67 8.752 -4.676 2.620 1.00 0.79 H new ATOM 0 HG2 GLN A 67 7.547 -6.597 2.848 1.00 0.93 H new ATOM 0 HG3 GLN A 67 7.066 -6.250 1.199 1.00 0.93 H new ATOM 0 HE21 GLN A 67 8.738 -8.460 3.287 1.00 1.75 H new ATOM 0 HE22 GLN A 67 9.327 -9.557 2.033 1.00 1.75 H new ATOM 1070 N HIS A 68 7.325 -4.320 -1.337 1.00 0.60 N ATOM 1071 CA HIS A 68 5.982 -4.432 -1.886 1.00 0.54 C ATOM 1072 C HIS A 68 5.213 -5.516 -1.127 1.00 0.49 C ATOM 1073 O HIS A 68 5.649 -6.667 -1.066 1.00 0.65 O ATOM 1074 CB HIS A 68 6.063 -4.753 -3.378 1.00 0.78 C ATOM 1075 CG HIS A 68 4.816 -5.424 -3.879 1.00 0.79 C ATOM 1076 ND1 HIS A 68 4.619 -6.784 -3.894 1.00 1.11 N ATOM 1077 CD2 HIS A 68 3.617 -4.823 -4.149 1.00 0.71 C ATOM 1078 CE1 HIS A 68 3.333 -7.007 -4.201 1.00 1.14 C ATOM 1079 NE2 HIS A 68 2.686 -5.841 -4.385 1.00 0.95 N ATOM 0 H HIS A 68 8.066 -4.335 -2.038 1.00 0.60 H new ATOM 0 HA HIS A 68 5.450 -3.487 -1.770 1.00 0.54 H new ATOM 0 HB2 HIS A 68 6.229 -3.833 -3.938 1.00 0.78 H new ATOM 0 HB3 HIS A 68 6.921 -5.399 -3.564 1.00 0.78 H new ATOM 0 HD1 HIS A 68 5.325 -7.496 -3.705 1.00 1.11 H new ATOM 0 HD2 HIS A 68 3.425 -3.761 -4.175 1.00 0.71 H new ATOM 0 HE1 HIS A 68 2.880 -7.984 -4.288 1.00 1.14 H new ATOM 1087 N ILE A 69 4.057 -5.149 -0.588 1.00 0.47 N ATOM 1088 CA ILE A 69 3.124 -6.055 0.045 1.00 0.59 C ATOM 1089 C ILE A 69 2.061 -6.454 -0.974 1.00 0.70 C ATOM 1090 O ILE A 69 1.935 -7.627 -1.317 1.00 0.87 O ATOM 1091 CB ILE A 69 2.502 -5.381 1.276 1.00 0.62 C ATOM 1092 CG1 ILE A 69 3.551 -4.861 2.269 1.00 0.57 C ATOM 1093 CG2 ILE A 69 1.559 -6.359 1.978 1.00 0.85 C ATOM 1094 CD1 ILE A 69 4.398 -5.961 2.911 1.00 0.62 C ATOM 0 H ILE A 69 3.739 -4.180 -0.582 1.00 0.47 H new ATOM 0 HA ILE A 69 3.636 -6.955 0.385 1.00 0.59 H new ATOM 0 HB ILE A 69 1.948 -4.513 0.919 1.00 0.62 H new ATOM 0 HG12 ILE A 69 4.210 -4.163 1.753 1.00 0.57 H new ATOM 0 HG13 ILE A 69 3.046 -4.300 3.055 1.00 0.57 H new ATOM 0 HG21 ILE A 69 1.119 -5.877 2.851 1.00 0.85 H new ATOM 0 HG22 ILE A 69 0.767 -6.657 1.291 1.00 0.85 H new ATOM 0 HG23 ILE A 69 2.118 -7.241 2.293 1.00 0.85 H new ATOM 0 HD11 ILE A 69 5.115 -5.513 3.599 1.00 0.62 H new ATOM 0 HD12 ILE A 69 3.750 -6.647 3.457 1.00 0.62 H new ATOM 0 HD13 ILE A 69 4.933 -6.508 2.135 1.00 0.62 H new ATOM 1106 N GLY A 70 1.294 -5.471 -1.441 1.00 0.65 N ATOM 1107 CA GLY A 70 0.049 -5.706 -2.157 1.00 0.70 C ATOM 1108 C GLY A 70 -1.003 -4.705 -1.690 1.00 0.63 C ATOM 1109 O GLY A 70 -0.650 -3.587 -1.307 1.00 1.04 O ATOM 0 H GLY A 70 1.524 -4.483 -1.331 1.00 0.65 H new ATOM 0 HA2 GLY A 70 0.210 -5.606 -3.230 1.00 0.70 H new ATOM 0 HA3 GLY A 70 -0.298 -6.724 -1.980 1.00 0.70 H new ATOM 1113 N GLY A 71 -2.279 -5.087 -1.733 1.00 0.54 N ATOM 1114 CA GLY A 71 -3.402 -4.229 -1.394 1.00 0.63 C ATOM 1115 C GLY A 71 -3.880 -4.518 0.022 1.00 0.48 C ATOM 1116 O GLY A 71 -3.256 -5.284 0.743 1.00 0.70 O ATOM 0 H GLY A 71 -2.562 -6.026 -2.012 1.00 0.54 H new ATOM 0 HA2 GLY A 71 -3.108 -3.183 -1.479 1.00 0.63 H new ATOM 0 HA3 GLY A 71 -4.217 -4.389 -2.100 1.00 0.63 H new ATOM 1120 N TYR A 72 -4.978 -3.881 0.436 1.00 0.53 N ATOM 1121 CA TYR A 72 -5.482 -3.942 1.804 1.00 0.49 C ATOM 1122 C TYR A 72 -5.473 -5.338 2.411 1.00 0.44 C ATOM 1123 O TYR A 72 -5.042 -5.483 3.540 1.00 0.43 O ATOM 1124 CB TYR A 72 -6.917 -3.412 1.879 1.00 0.56 C ATOM 1125 CG TYR A 72 -7.641 -3.754 3.167 1.00 0.57 C ATOM 1126 CD1 TYR A 72 -7.188 -3.225 4.389 1.00 1.48 C ATOM 1127 CD2 TYR A 72 -8.671 -4.715 3.164 1.00 1.05 C ATOM 1128 CE1 TYR A 72 -7.844 -3.556 5.584 1.00 1.50 C ATOM 1129 CE2 TYR A 72 -9.320 -5.053 4.364 1.00 1.11 C ATOM 1130 CZ TYR A 72 -8.922 -4.451 5.568 1.00 0.74 C ATOM 1131 OH TYR A 72 -9.671 -4.622 6.689 1.00 0.99 O ATOM 0 H TYR A 72 -5.547 -3.301 -0.180 1.00 0.53 H new ATOM 0 HA TYR A 72 -4.795 -3.321 2.379 1.00 0.49 H new ATOM 0 HB2 TYR A 72 -6.898 -2.328 1.763 1.00 0.56 H new ATOM 0 HB3 TYR A 72 -7.485 -3.813 1.039 1.00 0.56 H new ATOM 0 HD1 TYR A 72 -6.334 -2.563 4.407 1.00 1.48 H new ATOM 0 HD2 TYR A 72 -8.962 -5.192 2.240 1.00 1.05 H new ATOM 0 HE1 TYR A 72 -7.518 -3.121 6.517 1.00 1.50 H new ATOM 0 HE2 TYR A 72 -10.124 -5.775 4.360 1.00 1.11 H new ATOM 0 HH TYR A 72 -9.674 -3.792 7.210 1.00 0.99 H new ATOM 1141 N THR A 73 -6.008 -6.345 1.742 1.00 0.49 N ATOM 1142 CA THR A 73 -6.185 -7.648 2.349 1.00 0.56 C ATOM 1143 C THR A 73 -4.815 -8.327 2.484 1.00 0.53 C ATOM 1144 O THR A 73 -4.479 -8.833 3.557 1.00 0.54 O ATOM 1145 CB THR A 73 -7.311 -8.410 1.642 1.00 1.01 C ATOM 1146 OG1 THR A 73 -8.482 -8.397 2.442 1.00 3.04 O ATOM 1147 CG2 THR A 73 -7.000 -9.855 1.280 1.00 1.66 C ATOM 0 H THR A 73 -6.327 -6.282 0.775 1.00 0.49 H new ATOM 0 HA THR A 73 -6.548 -7.596 3.376 1.00 0.56 H new ATOM 0 HB THR A 73 -7.447 -7.880 0.699 1.00 1.01 H new ATOM 0 HG1 THR A 73 -9.232 -8.045 1.919 1.00 3.04 H new ATOM 0 HG21 THR A 73 -7.863 -10.300 0.785 1.00 1.66 H new ATOM 0 HG22 THR A 73 -6.141 -9.885 0.609 1.00 1.66 H new ATOM 0 HG23 THR A 73 -6.772 -10.416 2.186 1.00 1.66 H new ATOM 1155 N ASP A 74 -3.989 -8.255 1.435 1.00 0.61 N ATOM 1156 CA ASP A 74 -2.600 -8.719 1.458 1.00 0.72 C ATOM 1157 C ASP A 74 -1.861 -8.042 2.620 1.00 0.70 C ATOM 1158 O ASP A 74 -1.029 -8.623 3.318 1.00 0.76 O ATOM 1159 CB ASP A 74 -1.889 -8.364 0.135 1.00 0.83 C ATOM 1160 CG ASP A 74 -2.688 -8.636 -1.120 1.00 0.95 C ATOM 1161 OD1 ASP A 74 -2.732 -9.804 -1.565 1.00 1.87 O ATOM 1162 OD2 ASP A 74 -3.259 -7.662 -1.652 1.00 1.77 O ATOM 0 H ASP A 74 -4.271 -7.867 0.535 1.00 0.61 H new ATOM 0 HA ASP A 74 -2.593 -9.802 1.585 1.00 0.72 H new ATOM 0 HB2 ASP A 74 -1.625 -7.307 0.156 1.00 0.83 H new ATOM 0 HB3 ASP A 74 -0.956 -8.925 0.081 1.00 0.83 H new ATOM 1167 N PHE A 75 -2.158 -6.761 2.792 1.00 0.64 N ATOM 1168 CA PHE A 75 -1.518 -5.859 3.725 1.00 0.63 C ATOM 1169 C PHE A 75 -2.001 -6.151 5.138 1.00 0.54 C ATOM 1170 O PHE A 75 -1.199 -6.207 6.057 1.00 0.54 O ATOM 1171 CB PHE A 75 -1.833 -4.428 3.276 1.00 0.68 C ATOM 1172 CG PHE A 75 -1.348 -3.276 4.123 1.00 0.74 C ATOM 1173 CD1 PHE A 75 -0.085 -3.317 4.746 1.00 2.22 C ATOM 1174 CD2 PHE A 75 -2.023 -2.049 3.989 1.00 1.85 C ATOM 1175 CE1 PHE A 75 0.514 -2.127 5.195 1.00 2.33 C ATOM 1176 CE2 PHE A 75 -1.421 -0.862 4.416 1.00 1.99 C ATOM 1177 CZ PHE A 75 -0.142 -0.900 5.000 1.00 1.28 C ATOM 0 H PHE A 75 -2.893 -6.304 2.252 1.00 0.64 H new ATOM 0 HA PHE A 75 -0.436 -5.992 3.735 1.00 0.63 H new ATOM 0 HB2 PHE A 75 -1.421 -4.298 2.275 1.00 0.68 H new ATOM 0 HB3 PHE A 75 -2.916 -4.340 3.189 1.00 0.68 H new ATOM 0 HD1 PHE A 75 0.422 -4.261 4.878 1.00 2.22 H new ATOM 0 HD2 PHE A 75 -3.011 -2.024 3.554 1.00 1.85 H new ATOM 0 HE1 PHE A 75 1.475 -2.156 5.688 1.00 2.33 H new ATOM 0 HE2 PHE A 75 -1.936 0.080 4.298 1.00 1.99 H new ATOM 0 HZ PHE A 75 0.339 0.019 5.300 1.00 1.28 H new ATOM 1187 N ALA A 76 -3.294 -6.377 5.326 1.00 0.54 N ATOM 1188 CA ALA A 76 -3.884 -6.698 6.610 1.00 0.52 C ATOM 1189 C ALA A 76 -3.291 -8.009 7.104 1.00 0.55 C ATOM 1190 O ALA A 76 -2.996 -8.140 8.290 1.00 0.63 O ATOM 1191 CB ALA A 76 -5.406 -6.775 6.487 1.00 0.58 C ATOM 0 H ALA A 76 -3.975 -6.340 4.568 1.00 0.54 H new ATOM 0 HA ALA A 76 -3.659 -5.917 7.336 1.00 0.52 H new ATOM 0 HB1 ALA A 76 -5.838 -7.017 7.458 1.00 0.58 H new ATOM 0 HB2 ALA A 76 -5.793 -5.814 6.147 1.00 0.58 H new ATOM 0 HB3 ALA A 76 -5.674 -7.549 5.768 1.00 0.58 H new ATOM 1197 N ALA A 77 -3.085 -8.961 6.186 1.00 0.57 N ATOM 1198 CA ALA A 77 -2.313 -10.147 6.505 1.00 0.61 C ATOM 1199 C ALA A 77 -0.944 -9.723 7.030 1.00 0.56 C ATOM 1200 O ALA A 77 -0.626 -10.052 8.166 1.00 0.66 O ATOM 1201 CB ALA A 77 -2.218 -11.105 5.315 1.00 0.68 C ATOM 0 H ALA A 77 -3.441 -8.926 5.231 1.00 0.57 H new ATOM 0 HA ALA A 77 -2.824 -10.709 7.287 1.00 0.61 H new ATOM 0 HB1 ALA A 77 -1.632 -11.979 5.598 1.00 0.68 H new ATOM 0 HB2 ALA A 77 -3.219 -11.419 5.020 1.00 0.68 H new ATOM 0 HB3 ALA A 77 -1.736 -10.599 4.479 1.00 0.68 H new ATOM 1207 N TRP A 78 -0.156 -8.957 6.263 1.00 0.52 N ATOM 1208 CA TRP A 78 1.177 -8.561 6.712 1.00 0.53 C ATOM 1209 C TRP A 78 1.086 -7.963 8.127 1.00 0.50 C ATOM 1210 O TRP A 78 1.802 -8.394 9.026 1.00 0.57 O ATOM 1211 CB TRP A 78 1.843 -7.573 5.737 1.00 0.56 C ATOM 1212 CG TRP A 78 3.186 -7.077 6.199 1.00 0.66 C ATOM 1213 CD1 TRP A 78 4.364 -7.673 5.913 1.00 0.81 C ATOM 1214 CD2 TRP A 78 3.509 -6.012 7.143 1.00 0.74 C ATOM 1215 NE1 TRP A 78 5.378 -7.085 6.639 1.00 0.99 N ATOM 1216 CE2 TRP A 78 4.899 -6.081 7.453 1.00 0.98 C ATOM 1217 CE3 TRP A 78 2.760 -5.015 7.799 1.00 0.72 C ATOM 1218 CZ2 TRP A 78 5.495 -5.251 8.416 1.00 1.19 C ATOM 1219 CZ3 TRP A 78 3.337 -4.196 8.785 1.00 0.95 C ATOM 1220 CH2 TRP A 78 4.695 -4.333 9.115 1.00 1.19 C ATOM 0 H TRP A 78 -0.417 -8.606 5.342 1.00 0.52 H new ATOM 0 HA TRP A 78 1.808 -9.450 6.737 1.00 0.53 H new ATOM 0 HB2 TRP A 78 1.959 -8.056 4.767 1.00 0.56 H new ATOM 0 HB3 TRP A 78 1.181 -6.719 5.591 1.00 0.56 H new ATOM 0 HD1 TRP A 78 4.493 -8.490 5.218 1.00 0.81 H new ATOM 0 HE1 TRP A 78 6.359 -7.358 6.581 1.00 0.99 H new ATOM 0 HE3 TRP A 78 1.721 -4.877 7.539 1.00 0.72 H new ATOM 0 HZ2 TRP A 78 6.554 -5.318 8.616 1.00 1.19 H new ATOM 0 HZ3 TRP A 78 2.733 -3.458 9.291 1.00 0.95 H new ATOM 0 HH2 TRP A 78 5.123 -3.734 9.905 1.00 1.19 H new ATOM 1231 N VAL A 79 0.196 -6.993 8.333 1.00 0.50 N ATOM 1232 CA VAL A 79 0.003 -6.300 9.597 1.00 0.55 C ATOM 1233 C VAL A 79 -0.302 -7.290 10.719 1.00 0.65 C ATOM 1234 O VAL A 79 0.238 -7.149 11.806 1.00 0.87 O ATOM 1235 CB VAL A 79 -1.097 -5.225 9.471 1.00 0.66 C ATOM 1236 CG1 VAL A 79 -1.399 -4.558 10.819 1.00 0.88 C ATOM 1237 CG2 VAL A 79 -0.686 -4.091 8.527 1.00 0.76 C ATOM 0 H VAL A 79 -0.428 -6.660 7.598 1.00 0.50 H new ATOM 0 HA VAL A 79 0.931 -5.790 9.854 1.00 0.55 H new ATOM 0 HB VAL A 79 -1.968 -5.757 9.089 1.00 0.66 H new ATOM 0 HG11 VAL A 79 -2.179 -3.808 10.687 1.00 0.88 H new ATOM 0 HG12 VAL A 79 -1.737 -5.312 11.530 1.00 0.88 H new ATOM 0 HG13 VAL A 79 -0.496 -4.080 11.199 1.00 0.88 H new ATOM 0 HG21 VAL A 79 -1.490 -3.357 8.468 1.00 0.76 H new ATOM 0 HG22 VAL A 79 0.216 -3.611 8.906 1.00 0.76 H new ATOM 0 HG23 VAL A 79 -0.492 -4.497 7.534 1.00 0.76 H new ATOM 1247 N LYS A 80 -1.198 -8.251 10.526 1.00 0.67 N ATOM 1248 CA LYS A 80 -1.579 -9.155 11.604 1.00 0.93 C ATOM 1249 C LYS A 80 -0.484 -10.185 11.872 1.00 1.12 C ATOM 1250 O LYS A 80 -0.155 -10.449 13.026 1.00 1.99 O ATOM 1251 CB LYS A 80 -2.937 -9.783 11.280 1.00 1.12 C ATOM 1252 CG LYS A 80 -4.022 -8.711 11.436 1.00 2.10 C ATOM 1253 CD LYS A 80 -5.344 -9.170 10.818 1.00 2.61 C ATOM 1254 CE LYS A 80 -6.492 -8.264 11.280 1.00 3.77 C ATOM 1255 NZ LYS A 80 -7.166 -8.808 12.475 1.00 4.45 N ATOM 0 H LYS A 80 -1.671 -8.424 9.639 1.00 0.67 H new ATOM 0 HA LYS A 80 -1.689 -8.598 12.534 1.00 0.93 H new ATOM 0 HB2 LYS A 80 -2.938 -10.178 10.264 1.00 1.12 H new ATOM 0 HB3 LYS A 80 -3.135 -10.621 11.948 1.00 1.12 H new ATOM 0 HG2 LYS A 80 -4.169 -8.489 12.493 1.00 2.10 H new ATOM 0 HG3 LYS A 80 -3.696 -7.787 10.959 1.00 2.10 H new ATOM 0 HD2 LYS A 80 -5.271 -9.150 9.731 1.00 2.61 H new ATOM 0 HD3 LYS A 80 -5.548 -10.202 11.105 1.00 2.61 H new ATOM 0 HE2 LYS A 80 -6.105 -7.269 11.501 1.00 3.77 H new ATOM 0 HE3 LYS A 80 -7.216 -8.152 10.473 1.00 3.77 H new ATOM 0 HZ1 LYS A 80 -7.937 -8.170 12.760 1.00 4.45 H new ATOM 0 HZ2 LYS A 80 -7.557 -9.747 12.256 1.00 4.45 H new ATOM 0 HZ3 LYS A 80 -6.480 -8.891 13.253 1.00 4.45 H new ATOM 1269 N GLU A 81 0.106 -10.746 10.822 1.00 1.12 N ATOM 1270 CA GLU A 81 1.204 -11.685 10.953 1.00 1.24 C ATOM 1271 C GLU A 81 2.391 -11.000 11.647 1.00 1.31 C ATOM 1272 O GLU A 81 3.052 -11.601 12.492 1.00 1.78 O ATOM 1273 CB GLU A 81 1.579 -12.230 9.567 1.00 1.23 C ATOM 1274 CG GLU A 81 0.406 -12.904 8.828 1.00 2.32 C ATOM 1275 CD GLU A 81 0.136 -14.316 9.291 1.00 3.69 C ATOM 1276 OE1 GLU A 81 -0.487 -14.486 10.361 1.00 5.37 O ATOM 1277 OE2 GLU A 81 0.507 -15.249 8.552 1.00 3.71 O ATOM 0 H GLU A 81 -0.167 -10.560 9.857 1.00 1.12 H new ATOM 0 HA GLU A 81 0.906 -12.531 11.573 1.00 1.24 H new ATOM 0 HB2 GLU A 81 1.960 -11.412 8.956 1.00 1.23 H new ATOM 0 HB3 GLU A 81 2.390 -12.950 9.677 1.00 1.23 H new ATOM 0 HG2 GLU A 81 -0.494 -12.305 8.968 1.00 2.32 H new ATOM 0 HG3 GLU A 81 0.618 -12.915 7.759 1.00 2.32 H new ATOM 1284 N ASN A 82 2.680 -9.747 11.292 1.00 1.08 N ATOM 1285 CA ASN A 82 3.850 -9.027 11.792 1.00 1.22 C ATOM 1286 C ASN A 82 3.582 -8.381 13.140 1.00 1.32 C ATOM 1287 O ASN A 82 4.469 -8.387 13.989 1.00 1.48 O ATOM 1288 CB ASN A 82 4.337 -7.947 10.814 1.00 1.30 C ATOM 1289 CG ASN A 82 5.135 -8.550 9.671 1.00 1.38 C ATOM 1290 OD1 ASN A 82 6.357 -8.441 9.621 1.00 2.01 O ATOM 1291 ND2 ASN A 82 4.468 -9.215 8.740 1.00 1.24 N ATOM 0 H ASN A 82 2.107 -9.202 10.648 1.00 1.08 H new ATOM 0 HA ASN A 82 4.631 -9.780 11.900 1.00 1.22 H new ATOM 0 HB2 ASN A 82 3.481 -7.404 10.414 1.00 1.30 H new ATOM 0 HB3 ASN A 82 4.953 -7.223 11.347 1.00 1.30 H new ATOM 0 HD21 ASN A 82 4.969 -9.648 7.964 1.00 1.24 H new ATOM 0 HD22 ASN A 82 3.453 -9.295 8.799 1.00 1.24 H new ATOM 1298 N LEU A 83 2.427 -7.735 13.287 1.00 1.30 N ATOM 1299 CA LEU A 83 2.086 -6.842 14.387 1.00 1.39 C ATOM 1300 C LEU A 83 0.859 -7.386 15.134 1.00 1.64 C ATOM 1301 O LEU A 83 1.023 -7.950 16.214 1.00 1.99 O ATOM 1302 CB LEU A 83 1.871 -5.403 13.868 1.00 1.18 C ATOM 1303 CG LEU A 83 2.964 -4.867 12.929 1.00 1.12 C ATOM 1304 CD1 LEU A 83 2.598 -3.441 12.502 1.00 1.41 C ATOM 1305 CD2 LEU A 83 4.340 -4.835 13.600 1.00 1.77 C ATOM 0 H LEU A 83 1.670 -7.826 12.610 1.00 1.30 H new ATOM 0 HA LEU A 83 2.912 -6.800 15.097 1.00 1.39 H new ATOM 0 HB2 LEU A 83 0.916 -5.363 13.345 1.00 1.18 H new ATOM 0 HB3 LEU A 83 1.793 -4.734 14.725 1.00 1.18 H new ATOM 0 HG LEU A 83 3.021 -5.538 12.072 1.00 1.12 H new ATOM 0 HD11 LEU A 83 3.368 -3.052 11.835 1.00 1.41 H new ATOM 0 HD12 LEU A 83 1.640 -3.451 11.983 1.00 1.41 H new ATOM 0 HD13 LEU A 83 2.526 -2.804 13.384 1.00 1.41 H new ATOM 0 HD21 LEU A 83 5.079 -4.449 12.897 1.00 1.77 H new ATOM 0 HD22 LEU A 83 4.302 -4.189 14.477 1.00 1.77 H new ATOM 0 HD23 LEU A 83 4.620 -5.844 13.904 1.00 1.77 H new