USER MOD reduce.3.24.130724 H: found=0, std=0, add=514, rem=0, adj=12 USER MOD reduce.3.24.130724 removed 510 hydrogens (0 hets) USER MOD ----------------------------------------------------------------- USER MOD scores for adjustable sidechains, with "set" totals for H,N and Q USER MOD "o" means original, "f" means flipped, "180deg" is methyl default USER MOD "!" flags a clash with an overlap of 0.40A or greater USER MOD flip categories: "K"=keep, "C"=clashes, "X"=uncertain, "F"=flip USER MOD Single : A 1 ALA N :NH3+ -132:sc= -0.118 (180deg=-1.34) USER MOD Single : A 8 TYR OH : rot 180:sc= 0 USER MOD Single : A 9 TYR OH : rot -15:sc= 0 USER MOD Single : A 12 HIS : no HD1:sc= -1.34 X(o=-1.3,f=-1.8) USER MOD Single : A 16 THR OG1 : rot 180:sc= 0 USER MOD Single : A 21 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Single : A 22 TYR OH : rot 180:sc= 0 USER MOD Single : A 27 THR OG1 : rot 180:sc= -0.183 USER MOD Single : A 28 THR OG1 : rot 38:sc= 0.135 USER MOD Single : A 30 THR OG1 : rot 180:sc= -0.751 USER MOD Single : A 32 THR OG1 : rot 180:sc= 0 USER MOD Single : A 36 HIS : no HD1:sc= -0.0373 X(o=-0.037,f=-0.18) USER MOD Single : A 43 LYS NZ :NH3+ -164:sc= 0.166 (180deg=0.0948) USER MOD Single : A 45 GLN : amide:sc= -0.294 K(o=-0.29,f=-1) USER MOD Single : A 46 ASN : amide:sc=-0.00697 X(o=-0.007,f=0) USER MOD Single : A 48 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 52 THR OG1 : rot -48:sc= 0.673 USER MOD Single : A 53 ASN : amide:sc= -0.115 X(o=-0.12,f=-0.059) USER MOD Single : A 55 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 56 GLN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 66 TYR OH : rot 180:sc= 0 USER MOD ----------------------------------------------------------------- ATOM 1 N ALA A 1 2.754 0.320 1.157 1.00 33.31 N ATOM 2 CA ALA A 1 3.573 0.806 0.054 1.00 74.24 C ATOM 3 C ALA A 1 2.811 0.740 -1.266 1.00 11.02 C ATOM 4 O ALA A 1 3.099 -0.082 -2.136 1.00 51.44 O ATOM 5 CB ALA A 1 4.863 0.005 -0.039 1.00 72.31 C ATOM 0 H1 ALA A 1 2.801 0.994 1.948 1.00 33.31 H new ATOM 0 H2 ALA A 1 1.768 0.225 0.841 1.00 33.31 H new ATOM 0 H3 ALA A 1 3.108 -0.606 1.470 1.00 33.31 H new ATOM 0 HA ALA A 1 3.820 1.850 0.250 1.00 74.24 H new ATOM 0 HB1 ALA A 1 5.465 0.379 -0.867 1.00 72.31 H new ATOM 0 HB2 ALA A 1 5.422 0.107 0.891 1.00 72.31 H new ATOM 0 HB3 ALA A 1 4.627 -1.046 -0.207 1.00 72.31 H new ATOM 11 N PRO A 2 1.814 1.625 -1.419 1.00 64.35 N ATOM 12 CA PRO A 2 0.991 1.687 -2.630 1.00 74.44 C ATOM 13 C PRO A 2 1.768 2.206 -3.835 1.00 25.41 C ATOM 14 O PRO A 2 2.337 3.296 -3.795 1.00 41.23 O ATOM 15 CB PRO A 2 -0.124 2.665 -2.252 1.00 1.14 C ATOM 16 CG PRO A 2 0.468 3.519 -1.184 1.00 64.10 C ATOM 17 CD PRO A 2 1.416 2.633 -0.423 1.00 73.01 C ATOM 0 HA PRO A 2 0.631 0.702 -2.927 1.00 74.44 H new ATOM 0 HB2 PRO A 2 -0.435 3.262 -3.109 1.00 1.14 H new ATOM 0 HB3 PRO A 2 -1.008 2.138 -1.893 1.00 1.14 H new ATOM 0 HG2 PRO A 2 0.992 4.373 -1.613 1.00 64.10 H new ATOM 0 HG3 PRO A 2 -0.306 3.916 -0.528 1.00 64.10 H new ATOM 0 HD2 PRO A 2 2.275 3.190 -0.050 1.00 73.01 H new ATOM 0 HD3 PRO A 2 0.933 2.176 0.441 1.00 73.01 H new ATOM 25 N ALA A 3 1.789 1.417 -4.905 1.00 12.43 N ATOM 26 CA ALA A 3 2.495 1.799 -6.121 1.00 51.04 C ATOM 27 C ALA A 3 1.575 2.551 -7.077 1.00 72.12 C ATOM 28 O ALA A 3 0.365 2.325 -7.096 1.00 32.34 O ATOM 29 CB ALA A 3 3.075 0.569 -6.803 1.00 22.42 C ATOM 0 H ALA A 3 1.325 0.510 -4.954 1.00 12.43 H new ATOM 0 HA ALA A 3 3.311 2.466 -5.843 1.00 51.04 H new ATOM 0 HB1 ALA A 3 3.600 0.869 -7.710 1.00 22.42 H new ATOM 0 HB2 ALA A 3 3.772 0.073 -6.128 1.00 22.42 H new ATOM 0 HB3 ALA A 3 2.269 -0.118 -7.061 1.00 22.42 H new ATOM 35 N ARG A 4 2.156 3.446 -7.869 1.00 51.12 N ATOM 36 CA ARG A 4 1.387 4.233 -8.826 1.00 62.32 C ATOM 37 C ARG A 4 2.123 4.337 -10.159 1.00 54.31 C ATOM 38 O ARG A 4 3.232 3.825 -10.310 1.00 30.11 O ATOM 39 CB ARG A 4 1.118 5.632 -8.269 1.00 73.31 C ATOM 40 CG ARG A 4 -0.010 5.675 -7.251 1.00 51.01 C ATOM 41 CD ARG A 4 -1.368 5.518 -7.917 1.00 71.21 C ATOM 42 NE ARG A 4 -2.177 6.729 -7.804 1.00 65.12 N ATOM 43 CZ ARG A 4 -3.451 6.799 -8.172 1.00 61.34 C ATOM 44 NH1 ARG A 4 -4.059 5.733 -8.674 1.00 62.50 N ATOM 45 NH2 ARG A 4 -4.120 7.937 -8.039 1.00 20.33 N ATOM 0 H ARG A 4 3.157 3.644 -7.867 1.00 51.12 H new ATOM 0 HA ARG A 4 0.436 3.728 -8.994 1.00 62.32 H new ATOM 0 HB2 ARG A 4 2.029 6.011 -7.806 1.00 73.31 H new ATOM 0 HB3 ARG A 4 0.877 6.302 -9.094 1.00 73.31 H new ATOM 0 HG2 ARG A 4 0.130 4.881 -6.517 1.00 51.01 H new ATOM 0 HG3 ARG A 4 0.024 6.620 -6.709 1.00 51.01 H new ATOM 0 HD2 ARG A 4 -1.229 5.272 -8.970 1.00 71.21 H new ATOM 0 HD3 ARG A 4 -1.900 4.683 -7.462 1.00 71.21 H new ATOM 0 HE ARG A 4 -1.739 7.567 -7.421 1.00 65.12 H new ATOM 0 HH11 ARG A 4 -3.548 4.856 -8.778 1.00 62.50 H new ATOM 0 HH12 ARG A 4 -5.038 5.790 -8.956 1.00 62.50 H new ATOM 0 HH21 ARG A 4 -3.656 8.759 -7.654 1.00 20.33 H new ATOM 0 HH22 ARG A 4 -5.099 7.989 -8.322 1.00 20.33 H new ATOM 59 N PHE A 5 1.497 5.004 -11.124 1.00 32.35 N ATOM 60 CA PHE A 5 2.091 5.174 -12.444 1.00 53.34 C ATOM 61 C PHE A 5 1.942 6.615 -12.926 1.00 20.33 C ATOM 62 O PHE A 5 1.234 7.416 -12.314 1.00 61.35 O ATOM 63 CB PHE A 5 1.439 4.220 -13.447 1.00 70.11 C ATOM 64 CG PHE A 5 1.973 2.818 -13.375 1.00 22.05 C ATOM 65 CD1 PHE A 5 1.727 2.025 -12.265 1.00 52.14 C ATOM 66 CD2 PHE A 5 2.722 2.293 -14.415 1.00 43.34 C ATOM 67 CE1 PHE A 5 2.217 0.734 -12.196 1.00 14.44 C ATOM 68 CE2 PHE A 5 3.214 1.003 -14.351 1.00 43.34 C ATOM 69 CZ PHE A 5 2.962 0.223 -13.240 1.00 3.43 C ATOM 0 H PHE A 5 0.579 5.435 -11.016 1.00 32.35 H new ATOM 0 HA PHE A 5 3.153 4.942 -12.369 1.00 53.34 H new ATOM 0 HB2 PHE A 5 0.363 4.200 -13.271 1.00 70.11 H new ATOM 0 HB3 PHE A 5 1.590 4.606 -14.455 1.00 70.11 H new ATOM 0 HD1 PHE A 5 1.146 2.420 -11.445 1.00 52.14 H new ATOM 0 HD2 PHE A 5 2.924 2.899 -15.286 1.00 43.34 H new ATOM 0 HE1 PHE A 5 2.017 0.126 -11.326 1.00 14.44 H new ATOM 0 HE2 PHE A 5 3.795 0.605 -15.170 1.00 43.34 H new ATOM 0 HZ PHE A 5 3.347 -0.785 -13.188 1.00 3.43 H new ATOM 79 N CYS A 6 2.615 6.937 -14.025 1.00 50.21 N ATOM 80 CA CYS A 6 2.560 8.280 -14.590 1.00 1.34 C ATOM 81 C CYS A 6 2.186 8.234 -16.068 1.00 62.03 C ATOM 82 O CYS A 6 2.532 7.289 -16.778 1.00 41.51 O ATOM 83 CB CYS A 6 3.907 8.985 -14.415 1.00 13.14 C ATOM 84 SG CYS A 6 4.170 9.684 -12.753 1.00 54.41 S ATOM 0 H CYS A 6 3.205 6.286 -14.543 1.00 50.21 H new ATOM 0 HA CYS A 6 1.792 8.840 -14.057 1.00 1.34 H new ATOM 0 HB2 CYS A 6 4.707 8.276 -14.630 1.00 13.14 H new ATOM 0 HB3 CYS A 6 3.984 9.786 -15.151 1.00 13.14 H new ATOM 89 N VAL A 7 1.477 9.261 -16.526 1.00 44.12 N ATOM 90 CA VAL A 7 1.057 9.339 -17.920 1.00 44.22 C ATOM 91 C VAL A 7 1.448 10.677 -18.538 1.00 23.01 C ATOM 92 O VAL A 7 1.575 11.682 -17.838 1.00 44.23 O ATOM 93 CB VAL A 7 -0.464 9.147 -18.059 1.00 55.14 C ATOM 94 CG1 VAL A 7 -0.843 7.693 -17.825 1.00 20.33 C ATOM 95 CG2 VAL A 7 -1.207 10.062 -17.097 1.00 23.31 C ATOM 0 H VAL A 7 1.181 10.051 -15.952 1.00 44.12 H new ATOM 0 HA VAL A 7 1.567 8.535 -18.450 1.00 44.22 H new ATOM 0 HB VAL A 7 -0.754 9.414 -19.075 1.00 55.14 H new ATOM 0 HG11 VAL A 7 -1.922 7.577 -17.927 1.00 20.33 H new ATOM 0 HG12 VAL A 7 -0.339 7.063 -18.558 1.00 20.33 H new ATOM 0 HG13 VAL A 7 -0.540 7.395 -16.821 1.00 20.33 H new ATOM 0 HG21 VAL A 7 -2.281 9.913 -17.209 1.00 23.31 H new ATOM 0 HG22 VAL A 7 -0.913 9.829 -16.073 1.00 23.31 H new ATOM 0 HG23 VAL A 7 -0.960 11.100 -17.318 1.00 23.31 H new ATOM 105 N TYR A 8 1.637 10.682 -19.853 1.00 4.43 N ATOM 106 CA TYR A 8 2.016 11.897 -20.565 1.00 70.35 C ATOM 107 C TYR A 8 1.014 12.215 -21.671 1.00 33.51 C ATOM 108 O TYR A 8 0.606 11.333 -22.427 1.00 71.42 O ATOM 109 CB TYR A 8 3.418 11.748 -21.160 1.00 14.43 C ATOM 110 CG TYR A 8 4.302 12.953 -20.932 1.00 44.21 C ATOM 111 CD1 TYR A 8 4.502 13.462 -19.655 1.00 23.32 C ATOM 112 CD2 TYR A 8 4.939 13.582 -21.995 1.00 4.32 C ATOM 113 CE1 TYR A 8 5.309 14.563 -19.442 1.00 63.35 C ATOM 114 CE2 TYR A 8 5.749 14.683 -21.792 1.00 24.13 C ATOM 115 CZ TYR A 8 5.931 15.170 -20.514 1.00 33.41 C ATOM 116 OH TYR A 8 6.736 16.266 -20.306 1.00 65.44 O ATOM 0 H TYR A 8 1.534 9.859 -20.447 1.00 4.43 H new ATOM 0 HA TYR A 8 2.016 12.721 -19.851 1.00 70.35 H new ATOM 0 HB2 TYR A 8 3.896 10.870 -20.727 1.00 14.43 H new ATOM 0 HB3 TYR A 8 3.332 11.568 -22.232 1.00 14.43 H new ATOM 0 HD1 TYR A 8 4.018 12.989 -18.814 1.00 23.32 H new ATOM 0 HD2 TYR A 8 4.799 13.204 -22.997 1.00 4.32 H new ATOM 0 HE1 TYR A 8 5.452 14.946 -18.443 1.00 63.35 H new ATOM 0 HE2 TYR A 8 6.237 15.160 -22.629 1.00 24.13 H new ATOM 0 HH TYR A 8 7.099 16.573 -21.163 1.00 65.44 H new ATOM 126 N TYR A 9 0.621 13.481 -21.758 1.00 65.45 N ATOM 127 CA TYR A 9 -0.334 13.916 -22.770 1.00 13.44 C ATOM 128 C TYR A 9 0.233 15.068 -23.595 1.00 35.24 C ATOM 129 O TYR A 9 1.354 15.520 -23.362 1.00 14.22 O ATOM 130 CB TYR A 9 -1.647 14.344 -22.110 1.00 45.34 C ATOM 131 CG TYR A 9 -2.332 13.233 -21.349 1.00 34.50 C ATOM 132 CD1 TYR A 9 -3.158 12.324 -22.001 1.00 2.34 C ATOM 133 CD2 TYR A 9 -2.156 13.091 -19.978 1.00 61.32 C ATOM 134 CE1 TYR A 9 -3.787 11.307 -21.309 1.00 51.31 C ATOM 135 CE2 TYR A 9 -2.780 12.076 -19.279 1.00 20.11 C ATOM 136 CZ TYR A 9 -3.595 11.187 -19.949 1.00 23.13 C ATOM 137 OH TYR A 9 -4.219 10.176 -19.255 1.00 72.44 O ATOM 0 H TYR A 9 0.949 14.223 -21.140 1.00 65.45 H new ATOM 0 HA TYR A 9 -0.527 13.076 -23.437 1.00 13.44 H new ATOM 0 HB2 TYR A 9 -1.449 15.171 -21.428 1.00 45.34 H new ATOM 0 HB3 TYR A 9 -2.324 14.719 -22.877 1.00 45.34 H new ATOM 0 HD1 TYR A 9 -3.310 12.415 -23.066 1.00 2.34 H new ATOM 0 HD2 TYR A 9 -1.520 13.786 -19.450 1.00 61.32 H new ATOM 0 HE1 TYR A 9 -4.426 10.610 -21.831 1.00 51.31 H new ATOM 0 HE2 TYR A 9 -2.631 11.979 -18.214 1.00 20.11 H new ATOM 0 HH TYR A 9 -4.932 9.792 -19.807 1.00 72.44 H new ATOM 147 N ASP A 10 -0.551 15.537 -24.559 1.00 40.32 N ATOM 148 CA ASP A 10 -0.130 16.637 -25.419 1.00 3.30 C ATOM 149 C ASP A 10 -1.126 17.791 -25.353 1.00 61.21 C ATOM 150 O ASP A 10 -2.309 17.588 -25.085 1.00 74.25 O ATOM 151 CB ASP A 10 0.018 16.156 -26.863 1.00 53.23 C ATOM 152 CG ASP A 10 1.394 16.443 -27.431 1.00 73.24 C ATOM 153 OD1 ASP A 10 2.385 16.304 -26.684 1.00 61.15 O ATOM 154 OD2 ASP A 10 1.479 16.805 -28.623 1.00 44.12 O ATOM 0 H ASP A 10 -1.481 15.173 -24.765 1.00 40.32 H new ATOM 0 HA ASP A 10 0.836 16.994 -25.063 1.00 3.30 H new ATOM 0 HB2 ASP A 10 -0.174 15.084 -26.907 1.00 53.23 H new ATOM 0 HB3 ASP A 10 -0.736 16.640 -27.483 1.00 53.23 H new ATOM 159 N GLY A 11 -0.637 19.003 -25.598 1.00 74.02 N ATOM 160 CA GLY A 11 -1.498 20.171 -25.560 1.00 43.05 C ATOM 161 C GLY A 11 -2.737 20.006 -26.418 1.00 1.23 C ATOM 162 O GLY A 11 -2.672 20.115 -27.643 1.00 34.33 O ATOM 0 H GLY A 11 0.339 19.197 -25.822 1.00 74.02 H new ATOM 0 HA2 GLY A 11 -1.796 20.365 -24.530 1.00 43.05 H new ATOM 0 HA3 GLY A 11 -0.938 21.042 -25.899 1.00 43.05 H new ATOM 166 N HIS A 12 -3.869 19.742 -25.774 1.00 33.34 N ATOM 167 CA HIS A 12 -5.129 19.560 -26.486 1.00 13.24 C ATOM 168 C HIS A 12 -6.298 19.472 -25.508 1.00 42.45 C ATOM 169 O HIS A 12 -6.261 18.702 -24.548 1.00 40.00 O ATOM 170 CB HIS A 12 -5.075 18.299 -27.348 1.00 41.14 C ATOM 171 CG HIS A 12 -5.990 18.344 -28.533 1.00 40.02 C ATOM 172 ND1 HIS A 12 -6.032 17.351 -29.489 1.00 54.44 N ATOM 173 CD2 HIS A 12 -6.902 19.269 -28.913 1.00 1.40 C ATOM 174 CE1 HIS A 12 -6.930 17.665 -30.407 1.00 4.01 C ATOM 175 NE2 HIS A 12 -7.472 18.824 -30.080 1.00 41.23 N ATOM 0 H HIS A 12 -3.940 19.649 -24.761 1.00 33.34 H new ATOM 0 HA HIS A 12 -5.281 20.425 -27.131 1.00 13.24 H new ATOM 0 HB2 HIS A 12 -4.052 18.149 -27.694 1.00 41.14 H new ATOM 0 HB3 HIS A 12 -5.333 17.437 -26.733 1.00 41.14 H new ATOM 0 HD2 HIS A 12 -7.138 20.187 -28.395 1.00 1.40 H new ATOM 0 HE1 HIS A 12 -7.178 17.074 -31.276 1.00 4.01 H new ATOM 0 HE2 HIS A 12 -8.197 19.310 -30.609 1.00 41.23 H new ATOM 183 N LEU A 13 -7.333 20.266 -25.759 1.00 1.41 N ATOM 184 CA LEU A 13 -8.513 20.279 -24.901 1.00 4.02 C ATOM 185 C LEU A 13 -9.035 18.864 -24.672 1.00 5.23 C ATOM 186 O LEU A 13 -8.728 17.935 -25.418 1.00 61.53 O ATOM 187 CB LEU A 13 -9.610 21.145 -25.522 1.00 1.33 C ATOM 188 CG LEU A 13 -9.786 22.540 -24.919 1.00 21.50 C ATOM 189 CD1 LEU A 13 -8.461 23.286 -24.905 1.00 11.05 C ATOM 190 CD2 LEU A 13 -10.835 23.326 -25.691 1.00 60.05 C ATOM 0 H LEU A 13 -7.379 20.909 -26.549 1.00 1.41 H new ATOM 0 HA LEU A 13 -8.227 20.702 -23.938 1.00 4.02 H new ATOM 0 HB2 LEU A 13 -9.400 21.255 -26.586 1.00 1.33 H new ATOM 0 HB3 LEU A 13 -10.557 20.612 -25.437 1.00 1.33 H new ATOM 0 HG LEU A 13 -10.128 22.430 -23.890 1.00 21.50 H new ATOM 0 HD11 LEU A 13 -8.605 24.276 -24.473 1.00 11.05 H new ATOM 0 HD12 LEU A 13 -7.737 22.731 -24.308 1.00 11.05 H new ATOM 0 HD13 LEU A 13 -8.089 23.386 -25.925 1.00 11.05 H new ATOM 0 HD21 LEU A 13 -10.947 24.316 -25.248 1.00 60.05 H new ATOM 0 HD22 LEU A 13 -10.522 23.427 -26.730 1.00 60.05 H new ATOM 0 HD23 LEU A 13 -11.788 22.799 -25.648 1.00 60.05 H new ATOM 202 N PRO A 14 -9.844 18.696 -23.616 1.00 32.33 N ATOM 203 CA PRO A 14 -10.428 17.398 -23.265 1.00 75.33 C ATOM 204 C PRO A 14 -11.483 16.946 -24.270 1.00 11.50 C ATOM 205 O PRO A 14 -11.959 15.813 -24.217 1.00 72.14 O ATOM 206 CB PRO A 14 -11.067 17.654 -21.898 1.00 73.31 C ATOM 207 CG PRO A 14 -11.349 19.116 -21.879 1.00 43.54 C ATOM 208 CD PRO A 14 -10.252 19.759 -22.683 1.00 13.42 C ATOM 0 HA PRO A 14 -9.682 16.604 -23.260 1.00 75.33 H new ATOM 0 HB2 PRO A 14 -11.981 17.073 -21.773 1.00 73.31 H new ATOM 0 HB3 PRO A 14 -10.396 17.370 -21.088 1.00 73.31 H new ATOM 0 HG2 PRO A 14 -12.327 19.331 -22.311 1.00 43.54 H new ATOM 0 HG3 PRO A 14 -11.360 19.498 -20.858 1.00 43.54 H new ATOM 0 HD2 PRO A 14 -10.607 20.643 -23.212 1.00 13.42 H new ATOM 0 HD3 PRO A 14 -9.424 20.078 -22.050 1.00 13.42 H new ATOM 216 N ALA A 15 -11.843 17.841 -25.185 1.00 33.23 N ATOM 217 CA ALA A 15 -12.840 17.533 -26.203 1.00 1.21 C ATOM 218 C ALA A 15 -12.276 16.581 -27.253 1.00 14.24 C ATOM 219 O ALA A 15 -12.978 15.698 -27.746 1.00 75.02 O ATOM 220 CB ALA A 15 -13.335 18.813 -26.860 1.00 35.10 C ATOM 0 H ALA A 15 -11.459 18.784 -25.242 1.00 33.23 H new ATOM 0 HA ALA A 15 -13.681 17.039 -25.716 1.00 1.21 H new ATOM 0 HB1 ALA A 15 -14.079 18.569 -27.618 1.00 35.10 H new ATOM 0 HB2 ALA A 15 -13.784 19.459 -26.106 1.00 35.10 H new ATOM 0 HB3 ALA A 15 -12.497 19.330 -27.327 1.00 35.10 H new ATOM 226 N THR A 16 -11.004 16.767 -27.591 1.00 72.40 N ATOM 227 CA THR A 16 -10.347 15.926 -28.584 1.00 30.25 C ATOM 228 C THR A 16 -8.932 15.565 -28.148 1.00 24.42 C ATOM 229 O THR A 16 -8.060 15.318 -28.981 1.00 25.41 O ATOM 230 CB THR A 16 -10.288 16.620 -29.957 1.00 63.03 C ATOM 231 OG1 THR A 16 -11.508 17.328 -30.201 1.00 41.53 O ATOM 232 CG2 THR A 16 -10.054 15.606 -31.067 1.00 22.44 C ATOM 0 H THR A 16 -10.408 17.492 -27.192 1.00 72.40 H new ATOM 0 HA THR A 16 -10.941 15.016 -28.671 1.00 30.25 H new ATOM 0 HB THR A 16 -9.455 17.324 -29.948 1.00 63.03 H new ATOM 0 HG1 THR A 16 -11.462 17.768 -31.076 1.00 41.53 H new ATOM 0 HG21 THR A 16 -10.016 16.120 -32.027 1.00 22.44 H new ATOM 0 HG22 THR A 16 -9.110 15.089 -30.895 1.00 22.44 H new ATOM 0 HG23 THR A 16 -10.868 14.881 -31.075 1.00 22.44 H new ATOM 240 N ARG A 17 -8.710 15.535 -26.838 1.00 12.23 N ATOM 241 CA ARG A 17 -7.399 15.204 -26.292 1.00 15.44 C ATOM 242 C ARG A 17 -6.880 13.896 -26.880 1.00 30.33 C ATOM 243 O ARG A 17 -7.644 13.107 -27.436 1.00 64.35 O ATOM 244 CB ARG A 17 -7.470 15.098 -24.767 1.00 55.22 C ATOM 245 CG ARG A 17 -6.204 15.558 -24.065 1.00 5.41 C ATOM 246 CD ARG A 17 -6.464 15.882 -22.602 1.00 44.00 C ATOM 247 NE ARG A 17 -5.999 17.220 -22.246 1.00 44.03 N ATOM 248 CZ ARG A 17 -4.723 17.521 -22.028 1.00 53.15 C ATOM 249 NH1 ARG A 17 -3.791 16.584 -22.130 1.00 22.01 N ATOM 250 NH2 ARG A 17 -4.378 18.762 -21.709 1.00 35.11 N ATOM 0 H ARG A 17 -9.421 15.736 -26.135 1.00 12.23 H new ATOM 0 HA ARG A 17 -6.708 16.003 -26.562 1.00 15.44 H new ATOM 0 HB2 ARG A 17 -8.310 15.693 -24.409 1.00 55.22 H new ATOM 0 HB3 ARG A 17 -7.672 14.063 -24.492 1.00 55.22 H new ATOM 0 HG2 ARG A 17 -5.444 14.780 -24.137 1.00 5.41 H new ATOM 0 HG3 ARG A 17 -5.807 16.439 -24.569 1.00 5.41 H new ATOM 0 HD2 ARG A 17 -7.532 15.803 -22.398 1.00 44.00 H new ATOM 0 HD3 ARG A 17 -5.964 15.145 -21.973 1.00 44.00 H new ATOM 0 HE ARG A 17 -6.691 17.964 -22.160 1.00 44.03 H new ATOM 0 HH11 ARG A 17 -4.052 15.629 -22.376 1.00 22.01 H new ATOM 0 HH12 ARG A 17 -2.812 16.818 -21.962 1.00 22.01 H new ATOM 0 HH21 ARG A 17 -5.092 19.486 -21.631 1.00 35.11 H new ATOM 0 HH22 ARG A 17 -3.398 18.992 -21.542 1.00 35.11 H new ATOM 264 N VAL A 18 -5.576 13.672 -26.753 1.00 2.25 N ATOM 265 CA VAL A 18 -4.954 12.459 -27.271 1.00 0.44 C ATOM 266 C VAL A 18 -3.829 11.985 -26.357 1.00 15.11 C ATOM 267 O VAL A 18 -2.880 12.722 -26.089 1.00 4.21 O ATOM 268 CB VAL A 18 -4.391 12.678 -28.688 1.00 15.44 C ATOM 269 CG1 VAL A 18 -3.807 11.386 -29.236 1.00 22.42 C ATOM 270 CG2 VAL A 18 -5.472 13.218 -29.612 1.00 13.52 C ATOM 0 H VAL A 18 -4.930 14.315 -26.296 1.00 2.25 H new ATOM 0 HA VAL A 18 -5.732 11.697 -27.311 1.00 0.44 H new ATOM 0 HB VAL A 18 -3.590 13.415 -28.632 1.00 15.44 H new ATOM 0 HG11 VAL A 18 -3.414 11.560 -30.238 1.00 22.42 H new ATOM 0 HG12 VAL A 18 -3.002 11.046 -28.585 1.00 22.42 H new ATOM 0 HG13 VAL A 18 -4.585 10.624 -29.279 1.00 22.42 H new ATOM 0 HG21 VAL A 18 -5.057 13.367 -30.609 1.00 13.52 H new ATOM 0 HG22 VAL A 18 -6.295 12.506 -29.664 1.00 13.52 H new ATOM 0 HG23 VAL A 18 -5.839 14.169 -29.226 1.00 13.52 H new ATOM 280 N LEU A 19 -3.942 10.750 -25.881 1.00 75.13 N ATOM 281 CA LEU A 19 -2.934 10.175 -24.997 1.00 55.31 C ATOM 282 C LEU A 19 -1.678 9.800 -25.775 1.00 45.15 C ATOM 283 O LEU A 19 -1.753 9.176 -26.835 1.00 14.31 O ATOM 284 CB LEU A 19 -3.495 8.942 -24.286 1.00 3.42 C ATOM 285 CG LEU A 19 -2.675 8.417 -23.107 1.00 0.44 C ATOM 286 CD1 LEU A 19 -3.591 7.915 -22.002 1.00 21.54 C ATOM 287 CD2 LEU A 19 -1.731 7.314 -23.562 1.00 42.55 C ATOM 0 H LEU A 19 -4.722 10.127 -26.092 1.00 75.13 H new ATOM 0 HA LEU A 19 -2.667 10.926 -24.253 1.00 55.31 H new ATOM 0 HB2 LEU A 19 -4.498 9.178 -23.929 1.00 3.42 H new ATOM 0 HB3 LEU A 19 -3.597 8.140 -25.017 1.00 3.42 H new ATOM 0 HG LEU A 19 -2.077 9.238 -22.711 1.00 0.44 H new ATOM 0 HD11 LEU A 19 -2.990 7.545 -21.171 1.00 21.54 H new ATOM 0 HD12 LEU A 19 -4.225 8.731 -21.656 1.00 21.54 H new ATOM 0 HD13 LEU A 19 -4.215 7.108 -22.386 1.00 21.54 H new ATOM 0 HD21 LEU A 19 -1.156 6.953 -22.710 1.00 42.55 H new ATOM 0 HD22 LEU A 19 -2.309 6.492 -23.984 1.00 42.55 H new ATOM 0 HD23 LEU A 19 -1.051 7.706 -24.318 1.00 42.55 H new ATOM 299 N LEU A 20 -0.522 10.182 -25.243 1.00 11.03 N ATOM 300 CA LEU A 20 0.753 9.884 -25.886 1.00 72.21 C ATOM 301 C LEU A 20 1.187 8.451 -25.596 1.00 20.41 C ATOM 302 O LEU A 20 1.301 7.630 -26.506 1.00 45.20 O ATOM 303 CB LEU A 20 1.828 10.861 -25.409 1.00 3.22 C ATOM 304 CG LEU A 20 1.544 12.344 -25.653 1.00 31.35 C ATOM 305 CD1 LEU A 20 2.424 13.209 -24.764 1.00 51.21 C ATOM 306 CD2 LEU A 20 1.755 12.693 -27.118 1.00 41.34 C ATOM 0 H LEU A 20 -0.441 10.699 -24.367 1.00 11.03 H new ATOM 0 HA LEU A 20 0.623 9.994 -26.963 1.00 72.21 H new ATOM 0 HB2 LEU A 20 1.978 10.712 -24.340 1.00 3.22 H new ATOM 0 HB3 LEU A 20 2.767 10.606 -25.901 1.00 3.22 H new ATOM 0 HG LEU A 20 0.502 12.542 -25.400 1.00 31.35 H new ATOM 0 HD11 LEU A 20 2.208 14.261 -24.951 1.00 51.21 H new ATOM 0 HD12 LEU A 20 2.223 12.978 -23.718 1.00 51.21 H new ATOM 0 HD13 LEU A 20 3.472 13.009 -24.985 1.00 51.21 H new ATOM 0 HD21 LEU A 20 1.548 13.752 -27.273 1.00 41.34 H new ATOM 0 HD22 LEU A 20 2.787 12.480 -27.398 1.00 41.34 H new ATOM 0 HD23 LEU A 20 1.081 12.098 -27.734 1.00 41.34 H new ATOM 318 N MET A 21 1.425 8.156 -24.322 1.00 43.40 N ATOM 319 CA MET A 21 1.843 6.821 -23.912 1.00 25.12 C ATOM 320 C MET A 21 2.028 6.750 -22.399 1.00 72.53 C ATOM 321 O MET A 21 2.222 7.771 -21.739 1.00 63.52 O ATOM 322 CB MET A 21 3.146 6.433 -24.615 1.00 34.51 C ATOM 323 CG MET A 21 2.976 5.320 -25.637 1.00 51.31 C ATOM 324 SD MET A 21 4.260 5.338 -26.903 1.00 1.24 S ATOM 325 CE MET A 21 5.672 4.764 -25.961 1.00 15.51 C ATOM 0 H MET A 21 1.335 8.824 -23.556 1.00 43.40 H new ATOM 0 HA MET A 21 1.060 6.118 -24.198 1.00 25.12 H new ATOM 0 HB2 MET A 21 3.557 7.312 -25.112 1.00 34.51 H new ATOM 0 HB3 MET A 21 3.874 6.120 -23.867 1.00 34.51 H new ATOM 0 HG2 MET A 21 2.989 4.357 -25.126 1.00 51.31 H new ATOM 0 HG3 MET A 21 2.000 5.415 -26.113 1.00 51.31 H new ATOM 0 HE1 MET A 21 6.548 4.721 -26.608 1.00 15.51 H new ATOM 0 HE2 MET A 21 5.863 5.451 -25.137 1.00 15.51 H new ATOM 0 HE3 MET A 21 5.465 3.770 -25.564 1.00 15.51 H new ATOM 335 N TYR A 22 1.965 5.539 -21.857 1.00 21.32 N ATOM 336 CA TYR A 22 2.122 5.335 -20.422 1.00 3.14 C ATOM 337 C TYR A 22 3.596 5.213 -20.047 1.00 2.20 C ATOM 338 O TYR A 22 4.408 4.714 -20.826 1.00 71.23 O ATOM 339 CB TYR A 22 1.366 4.082 -19.977 1.00 63.12 C ATOM 340 CG TYR A 22 -0.132 4.273 -19.902 1.00 3.33 C ATOM 341 CD1 TYR A 22 -0.930 4.110 -21.027 1.00 15.53 C ATOM 342 CD2 TYR A 22 -0.748 4.616 -18.705 1.00 13.25 C ATOM 343 CE1 TYR A 22 -2.299 4.285 -20.962 1.00 52.22 C ATOM 344 CE2 TYR A 22 -2.117 4.791 -18.630 1.00 44.54 C ATOM 345 CZ TYR A 22 -2.888 4.625 -19.762 1.00 4.40 C ATOM 346 OH TYR A 22 -4.251 4.799 -19.693 1.00 60.13 O ATOM 0 H TYR A 22 1.806 4.684 -22.390 1.00 21.32 H new ATOM 0 HA TYR A 22 1.706 6.203 -19.910 1.00 3.14 H new ATOM 0 HB2 TYR A 22 1.586 3.270 -20.670 1.00 63.12 H new ATOM 0 HB3 TYR A 22 1.734 3.774 -18.998 1.00 63.12 H new ATOM 0 HD1 TYR A 22 -0.473 3.842 -21.968 1.00 15.53 H new ATOM 0 HD2 TYR A 22 -0.147 4.748 -17.818 1.00 13.25 H new ATOM 0 HE1 TYR A 22 -2.905 4.156 -21.847 1.00 52.22 H new ATOM 0 HE2 TYR A 22 -2.580 5.056 -17.691 1.00 44.54 H new ATOM 0 HH TYR A 22 -4.505 5.035 -18.776 1.00 60.13 H new ATOM 356 N VAL A 23 3.935 5.673 -18.847 1.00 11.04 N ATOM 357 CA VAL A 23 5.310 5.615 -18.366 1.00 21.33 C ATOM 358 C VAL A 23 5.391 4.910 -17.016 1.00 51.12 C ATOM 359 O VAL A 23 4.975 5.455 -15.994 1.00 13.41 O ATOM 360 CB VAL A 23 5.919 7.023 -18.234 1.00 51.43 C ATOM 361 CG1 VAL A 23 7.360 6.940 -17.754 1.00 32.10 C ATOM 362 CG2 VAL A 23 5.832 7.767 -19.559 1.00 20.43 C ATOM 0 H VAL A 23 3.276 6.090 -18.190 1.00 11.04 H new ATOM 0 HA VAL A 23 5.879 5.049 -19.103 1.00 21.33 H new ATOM 0 HB VAL A 23 5.346 7.579 -17.492 1.00 51.43 H new ATOM 0 HG11 VAL A 23 7.773 7.945 -17.667 1.00 32.10 H new ATOM 0 HG12 VAL A 23 7.392 6.449 -16.781 1.00 32.10 H new ATOM 0 HG13 VAL A 23 7.949 6.366 -18.469 1.00 32.10 H new ATOM 0 HG21 VAL A 23 6.267 8.760 -19.448 1.00 20.43 H new ATOM 0 HG22 VAL A 23 6.379 7.215 -20.323 1.00 20.43 H new ATOM 0 HG23 VAL A 23 4.787 7.860 -19.856 1.00 20.43 H new ATOM 372 N ARG A 24 5.930 3.695 -17.021 1.00 12.35 N ATOM 373 CA ARG A 24 6.065 2.915 -15.796 1.00 52.04 C ATOM 374 C ARG A 24 7.133 3.513 -14.885 1.00 53.43 C ATOM 375 O ARG A 24 8.190 3.942 -15.350 1.00 34.22 O ATOM 376 CB ARG A 24 6.417 1.464 -16.128 1.00 32.43 C ATOM 377 CG ARG A 24 5.509 0.841 -17.176 1.00 22.21 C ATOM 378 CD ARG A 24 5.464 -0.673 -17.045 1.00 31.53 C ATOM 379 NE ARG A 24 5.197 -1.326 -18.324 1.00 4.11 N ATOM 380 CZ ARG A 24 4.828 -2.597 -18.438 1.00 15.42 C ATOM 381 NH1 ARG A 24 4.681 -3.347 -17.355 1.00 33.42 N ATOM 382 NH2 ARG A 24 4.603 -3.119 -19.637 1.00 2.32 N ATOM 0 H ARG A 24 6.280 3.230 -17.859 1.00 12.35 H new ATOM 0 HA ARG A 24 5.110 2.940 -15.271 1.00 52.04 H new ATOM 0 HB2 ARG A 24 7.448 1.421 -16.480 1.00 32.43 H new ATOM 0 HB3 ARG A 24 6.367 0.869 -15.216 1.00 32.43 H new ATOM 0 HG2 ARG A 24 4.502 1.246 -17.074 1.00 22.21 H new ATOM 0 HG3 ARG A 24 5.862 1.111 -18.171 1.00 22.21 H new ATOM 0 HD2 ARG A 24 6.414 -1.031 -16.647 1.00 31.53 H new ATOM 0 HD3 ARG A 24 4.692 -0.952 -16.328 1.00 31.53 H new ATOM 0 HE ARG A 24 5.300 -0.776 -19.177 1.00 4.11 H new ATOM 0 HH11 ARG A 24 4.851 -2.948 -16.432 1.00 33.42 H new ATOM 0 HH12 ARG A 24 4.398 -4.323 -17.445 1.00 33.42 H new ATOM 0 HH21 ARG A 24 4.713 -2.544 -20.472 1.00 2.32 H new ATOM 0 HH22 ARG A 24 4.320 -4.095 -19.723 1.00 2.32 H new ATOM 396 N ILE A 25 6.849 3.540 -13.588 1.00 32.54 N ATOM 397 CA ILE A 25 7.785 4.085 -12.612 1.00 72.42 C ATOM 398 C ILE A 25 8.863 3.067 -12.256 1.00 71.43 C ATOM 399 O ILE A 25 9.038 2.714 -11.091 1.00 32.32 O ATOM 400 CB ILE A 25 7.064 4.523 -11.324 1.00 53.41 C ATOM 401 CG1 ILE A 25 5.813 5.335 -11.665 1.00 55.44 C ATOM 402 CG2 ILE A 25 8.002 5.332 -10.441 1.00 41.30 C ATOM 403 CD1 ILE A 25 6.109 6.616 -12.414 1.00 72.23 C ATOM 0 H ILE A 25 5.978 3.191 -13.188 1.00 32.54 H new ATOM 0 HA ILE A 25 8.249 4.957 -13.073 1.00 72.42 H new ATOM 0 HB ILE A 25 6.758 3.632 -10.776 1.00 53.41 H new ATOM 0 HG12 ILE A 25 5.143 4.720 -12.265 1.00 55.44 H new ATOM 0 HG13 ILE A 25 5.284 5.577 -10.743 1.00 55.44 H new ATOM 0 HG21 ILE A 25 7.478 5.634 -9.534 1.00 41.30 H new ATOM 0 HG22 ILE A 25 8.866 4.723 -10.175 1.00 41.30 H new ATOM 0 HG23 ILE A 25 8.335 6.219 -10.980 1.00 41.30 H new ATOM 0 HD11 ILE A 25 5.176 7.140 -12.622 1.00 72.23 H new ATOM 0 HD12 ILE A 25 6.754 7.251 -11.807 1.00 72.23 H new ATOM 0 HD13 ILE A 25 6.610 6.381 -13.353 1.00 72.23 H new ATOM 415 N GLY A 26 9.585 2.599 -13.270 1.00 24.22 N ATOM 416 CA GLY A 26 10.639 1.627 -13.043 1.00 61.14 C ATOM 417 C GLY A 26 11.962 2.054 -13.648 1.00 53.22 C ATOM 418 O GLY A 26 13.027 1.756 -13.106 1.00 53.51 O ATOM 0 H GLY A 26 9.459 2.875 -14.244 1.00 24.22 H new ATOM 0 HA2 GLY A 26 10.765 1.476 -11.971 1.00 61.14 H new ATOM 0 HA3 GLY A 26 10.342 0.668 -13.467 1.00 61.14 H new ATOM 422 N THR A 27 11.896 2.754 -14.777 1.00 22.31 N ATOM 423 CA THR A 27 13.097 3.220 -15.458 1.00 4.12 C ATOM 424 C THR A 27 12.829 4.511 -16.223 1.00 5.22 C ATOM 425 O THR A 27 11.690 4.970 -16.309 1.00 32.24 O ATOM 426 CB THR A 27 13.636 2.159 -16.436 1.00 43.41 C ATOM 427 OG1 THR A 27 14.923 2.553 -16.925 1.00 63.01 O ATOM 428 CG2 THR A 27 12.682 1.966 -17.605 1.00 14.24 C ATOM 0 H THR A 27 11.023 3.010 -15.238 1.00 22.31 H new ATOM 0 HA THR A 27 13.845 3.406 -14.688 1.00 4.12 H new ATOM 0 HB THR A 27 13.724 1.214 -15.900 1.00 43.41 H new ATOM 0 HG1 THR A 27 15.260 1.873 -17.545 1.00 63.01 H new ATOM 0 HG21 THR A 27 13.084 1.212 -18.282 1.00 14.24 H new ATOM 0 HG22 THR A 27 11.711 1.639 -17.232 1.00 14.24 H new ATOM 0 HG23 THR A 27 12.566 2.909 -18.140 1.00 14.24 H new ATOM 436 N THR A 28 13.887 5.094 -16.779 1.00 52.41 N ATOM 437 CA THR A 28 13.766 6.333 -17.537 1.00 53.30 C ATOM 438 C THR A 28 13.674 6.056 -19.033 1.00 62.11 C ATOM 439 O THR A 28 14.540 5.394 -19.605 1.00 54.03 O ATOM 440 CB THR A 28 14.958 7.272 -17.273 1.00 14.54 C ATOM 441 OG1 THR A 28 16.189 6.562 -17.443 1.00 72.55 O ATOM 442 CG2 THR A 28 14.890 7.850 -15.867 1.00 24.43 C ATOM 0 H THR A 28 14.837 4.728 -16.718 1.00 52.41 H new ATOM 0 HA THR A 28 12.849 6.819 -17.203 1.00 53.30 H new ATOM 0 HB THR A 28 14.911 8.092 -17.989 1.00 14.54 H new ATOM 0 HG1 THR A 28 16.104 5.935 -18.191 1.00 72.55 H new ATOM 0 HG21 THR A 28 15.742 8.510 -15.703 1.00 24.43 H new ATOM 0 HG22 THR A 28 13.965 8.415 -15.750 1.00 24.43 H new ATOM 0 HG23 THR A 28 14.914 7.039 -15.139 1.00 24.43 H new ATOM 450 N ALA A 29 12.620 6.567 -19.662 1.00 25.34 N ATOM 451 CA ALA A 29 12.418 6.376 -21.092 1.00 72.14 C ATOM 452 C ALA A 29 12.143 7.704 -21.790 1.00 32.22 C ATOM 453 O ALA A 29 12.010 8.742 -21.141 1.00 43.44 O ATOM 454 CB ALA A 29 11.275 5.402 -21.338 1.00 62.23 C ATOM 0 H ALA A 29 11.893 7.116 -19.203 1.00 25.34 H new ATOM 0 HA ALA A 29 13.334 5.958 -21.511 1.00 72.14 H new ATOM 0 HB1 ALA A 29 11.135 5.269 -22.411 1.00 62.23 H new ATOM 0 HB2 ALA A 29 11.511 4.441 -20.881 1.00 62.23 H new ATOM 0 HB3 ALA A 29 10.359 5.798 -20.899 1.00 62.23 H new ATOM 460 N THR A 30 12.059 7.664 -23.116 1.00 55.30 N ATOM 461 CA THR A 30 11.801 8.865 -23.902 1.00 23.54 C ATOM 462 C THR A 30 10.484 8.753 -24.661 1.00 21.12 C ATOM 463 O THR A 30 10.091 7.665 -25.084 1.00 44.44 O ATOM 464 CB THR A 30 12.938 9.133 -24.906 1.00 1.23 C ATOM 465 OG1 THR A 30 14.175 8.624 -24.394 1.00 35.34 O ATOM 466 CG2 THR A 30 13.074 10.623 -25.184 1.00 32.43 C ATOM 0 H THR A 30 12.166 6.813 -23.668 1.00 55.30 H new ATOM 0 HA THR A 30 11.742 9.696 -23.200 1.00 23.54 H new ATOM 0 HB THR A 30 12.695 8.625 -25.839 1.00 1.23 H new ATOM 0 HG1 THR A 30 14.892 8.797 -25.039 1.00 35.34 H new ATOM 0 HG21 THR A 30 13.883 10.788 -25.896 1.00 32.43 H new ATOM 0 HG22 THR A 30 12.141 11.002 -25.601 1.00 32.43 H new ATOM 0 HG23 THR A 30 13.296 11.148 -24.255 1.00 32.43 H new ATOM 474 N ILE A 31 9.806 9.883 -24.830 1.00 4.22 N ATOM 475 CA ILE A 31 8.534 9.911 -25.540 1.00 51.50 C ATOM 476 C ILE A 31 8.650 10.691 -26.845 1.00 50.42 C ATOM 477 O ILE A 31 9.226 11.779 -26.883 1.00 44.01 O ATOM 478 CB ILE A 31 7.422 10.538 -24.678 1.00 71.10 C ATOM 479 CG1 ILE A 31 7.274 9.772 -23.362 1.00 23.13 C ATOM 480 CG2 ILE A 31 6.105 10.551 -25.440 1.00 21.01 C ATOM 481 CD1 ILE A 31 6.330 10.432 -22.381 1.00 62.32 C ATOM 0 H ILE A 31 10.117 10.791 -24.485 1.00 4.22 H new ATOM 0 HA ILE A 31 8.273 8.876 -25.760 1.00 51.50 H new ATOM 0 HB ILE A 31 7.697 11.567 -24.449 1.00 71.10 H new ATOM 0 HG12 ILE A 31 6.917 8.765 -23.576 1.00 23.13 H new ATOM 0 HG13 ILE A 31 8.255 9.671 -22.898 1.00 23.13 H new ATOM 0 HG21 ILE A 31 5.329 10.997 -24.818 1.00 21.01 H new ATOM 0 HG22 ILE A 31 6.219 11.136 -26.353 1.00 21.01 H new ATOM 0 HG23 ILE A 31 5.823 9.530 -25.696 1.00 21.01 H new ATOM 0 HD11 ILE A 31 6.274 9.834 -21.471 1.00 62.32 H new ATOM 0 HD12 ILE A 31 6.697 11.429 -22.138 1.00 62.32 H new ATOM 0 HD13 ILE A 31 5.338 10.509 -22.826 1.00 62.32 H new ATOM 493 N THR A 32 8.097 10.129 -27.915 1.00 54.25 N ATOM 494 CA THR A 32 8.137 10.771 -29.223 1.00 40.41 C ATOM 495 C THR A 32 6.772 11.334 -29.602 1.00 11.44 C ATOM 496 O THR A 32 5.809 10.588 -29.774 1.00 54.42 O ATOM 497 CB THR A 32 8.596 9.789 -30.317 1.00 40.34 C ATOM 498 OG1 THR A 32 9.108 8.593 -29.719 1.00 11.41 O ATOM 499 CG2 THR A 32 9.665 10.420 -31.197 1.00 1.12 C ATOM 0 H THR A 32 7.616 9.230 -27.901 1.00 54.25 H new ATOM 0 HA THR A 32 8.856 11.587 -29.152 1.00 40.41 H new ATOM 0 HB THR A 32 7.735 9.544 -30.938 1.00 40.34 H new ATOM 0 HG1 THR A 32 9.396 7.973 -30.422 1.00 11.41 H new ATOM 0 HG21 THR A 32 9.973 9.708 -31.962 1.00 1.12 H new ATOM 0 HG22 THR A 32 9.263 11.314 -31.674 1.00 1.12 H new ATOM 0 HG23 THR A 32 10.526 10.691 -30.586 1.00 1.12 H new ATOM 507 N ALA A 33 6.696 12.655 -29.730 1.00 5.01 N ATOM 508 CA ALA A 33 5.449 13.317 -30.091 1.00 3.51 C ATOM 509 C ALA A 33 5.712 14.555 -30.943 1.00 35.31 C ATOM 510 O ALA A 33 6.637 15.321 -30.674 1.00 31.44 O ATOM 511 CB ALA A 33 4.669 13.692 -28.839 1.00 70.35 C ATOM 0 H ALA A 33 7.484 13.287 -29.589 1.00 5.01 H new ATOM 0 HA ALA A 33 4.854 12.621 -30.682 1.00 3.51 H new ATOM 0 HB1 ALA A 33 3.740 14.186 -29.123 1.00 70.35 H new ATOM 0 HB2 ALA A 33 4.442 12.791 -28.269 1.00 70.35 H new ATOM 0 HB3 ALA A 33 5.266 14.368 -28.227 1.00 70.35 H new ATOM 517 N ARG A 34 4.892 14.744 -31.972 1.00 32.52 N ATOM 518 CA ARG A 34 5.037 15.887 -32.864 1.00 51.14 C ATOM 519 C ARG A 34 6.456 15.967 -33.419 1.00 41.12 C ATOM 520 O ARG A 34 7.001 17.055 -33.605 1.00 33.54 O ATOM 521 CB ARG A 34 4.692 17.183 -32.128 1.00 30.20 C ATOM 522 CG ARG A 34 3.372 17.123 -31.376 1.00 42.44 C ATOM 523 CD ARG A 34 2.790 18.512 -31.163 1.00 32.23 C ATOM 524 NE ARG A 34 1.535 18.697 -31.887 1.00 63.43 N ATOM 525 CZ ARG A 34 0.639 19.627 -31.579 1.00 50.23 C ATOM 526 NH1 ARG A 34 0.858 20.454 -30.566 1.00 32.41 N ATOM 527 NH2 ARG A 34 -0.479 19.733 -32.286 1.00 50.02 N ATOM 0 H ARG A 34 4.121 14.120 -32.208 1.00 32.52 H new ATOM 0 HA ARG A 34 4.346 15.756 -33.697 1.00 51.14 H new ATOM 0 HB2 ARG A 34 5.491 17.415 -31.424 1.00 30.20 H new ATOM 0 HB3 ARG A 34 4.654 18.001 -32.848 1.00 30.20 H new ATOM 0 HG2 ARG A 34 2.662 16.511 -31.933 1.00 42.44 H new ATOM 0 HG3 ARG A 34 3.523 16.638 -30.411 1.00 42.44 H new ATOM 0 HD2 ARG A 34 2.622 18.675 -30.098 1.00 32.23 H new ATOM 0 HD3 ARG A 34 3.511 19.261 -31.490 1.00 32.23 H new ATOM 0 HE ARG A 34 1.336 18.078 -32.673 1.00 63.43 H new ATOM 0 HH11 ARG A 34 1.717 20.377 -30.021 1.00 32.41 H new ATOM 0 HH12 ARG A 34 0.168 21.168 -30.332 1.00 32.41 H new ATOM 0 HH21 ARG A 34 -0.651 19.100 -33.067 1.00 50.02 H new ATOM 0 HH22 ARG A 34 -1.167 20.448 -32.049 1.00 50.02 H new ATOM 541 N GLY A 35 7.050 14.807 -33.682 1.00 31.32 N ATOM 542 CA GLY A 35 8.400 14.768 -34.212 1.00 23.42 C ATOM 543 C GLY A 35 9.425 15.292 -33.226 1.00 44.22 C ATOM 544 O GLY A 35 10.506 15.734 -33.619 1.00 31.31 O ATOM 0 H GLY A 35 6.620 13.893 -33.537 1.00 31.32 H new ATOM 0 HA2 GLY A 35 8.651 13.742 -34.482 1.00 23.42 H new ATOM 0 HA3 GLY A 35 8.445 15.359 -35.127 1.00 23.42 H new ATOM 548 N HIS A 36 9.087 15.246 -31.942 1.00 13.24 N ATOM 549 CA HIS A 36 9.986 15.722 -30.896 1.00 70.04 C ATOM 550 C HIS A 36 10.211 14.643 -29.841 1.00 43.32 C ATOM 551 O HIS A 36 9.272 13.972 -29.417 1.00 35.03 O ATOM 552 CB HIS A 36 9.419 16.982 -30.241 1.00 44.15 C ATOM 553 CG HIS A 36 9.711 18.237 -31.005 1.00 61.02 C ATOM 554 ND1 HIS A 36 10.982 18.602 -31.396 1.00 62.21 N ATOM 555 CD2 HIS A 36 8.887 19.213 -31.452 1.00 10.42 C ATOM 556 CE1 HIS A 36 10.927 19.749 -32.049 1.00 4.14 C ATOM 557 NE2 HIS A 36 9.667 20.141 -32.097 1.00 1.43 N ATOM 0 H HIS A 36 8.197 14.884 -31.600 1.00 13.24 H new ATOM 0 HA HIS A 36 10.945 15.961 -31.356 1.00 70.04 H new ATOM 0 HB2 HIS A 36 8.340 16.873 -30.136 1.00 44.15 H new ATOM 0 HB3 HIS A 36 9.829 17.075 -29.235 1.00 44.15 H new ATOM 0 HD2 HIS A 36 7.815 19.254 -31.325 1.00 10.42 H new ATOM 0 HE1 HIS A 36 11.769 20.276 -32.472 1.00 4.14 H new ATOM 0 HE2 HIS A 36 9.328 20.994 -32.541 1.00 1.43 H new ATOM 565 N GLU A 37 11.463 14.483 -29.423 1.00 42.14 N ATOM 566 CA GLU A 37 11.811 13.485 -28.419 1.00 72.42 C ATOM 567 C GLU A 37 11.939 14.123 -27.039 1.00 64.11 C ATOM 568 O GLU A 37 12.786 14.990 -26.820 1.00 74.12 O ATOM 569 CB GLU A 37 13.119 12.786 -28.794 1.00 45.11 C ATOM 570 CG GLU A 37 13.022 11.948 -30.058 1.00 33.35 C ATOM 571 CD GLU A 37 14.303 11.196 -30.359 1.00 64.42 C ATOM 572 OE1 GLU A 37 15.184 11.147 -29.475 1.00 43.31 O ATOM 573 OE2 GLU A 37 14.426 10.656 -31.479 1.00 31.15 O ATOM 0 H GLU A 37 12.252 15.032 -29.764 1.00 42.14 H new ATOM 0 HA GLU A 37 11.010 12.746 -28.385 1.00 72.42 H new ATOM 0 HB2 GLU A 37 13.898 13.537 -28.925 1.00 45.11 H new ATOM 0 HB3 GLU A 37 13.429 12.147 -27.967 1.00 45.11 H new ATOM 0 HG2 GLU A 37 12.203 11.236 -29.956 1.00 33.35 H new ATOM 0 HG3 GLU A 37 12.778 12.595 -30.901 1.00 33.35 H new ATOM 580 N PHE A 38 11.093 13.688 -26.111 1.00 61.14 N ATOM 581 CA PHE A 38 11.110 14.217 -24.753 1.00 1.04 C ATOM 582 C PHE A 38 11.500 13.133 -23.752 1.00 11.23 C ATOM 583 O PHE A 38 10.773 12.158 -23.563 1.00 41.41 O ATOM 584 CB PHE A 38 9.740 14.793 -24.390 1.00 12.12 C ATOM 585 CG PHE A 38 9.219 15.780 -25.395 1.00 42.12 C ATOM 586 CD1 PHE A 38 9.898 16.963 -25.640 1.00 15.12 C ATOM 587 CD2 PHE A 38 8.051 15.525 -26.095 1.00 60.13 C ATOM 588 CE1 PHE A 38 9.421 17.873 -26.565 1.00 4.43 C ATOM 589 CE2 PHE A 38 7.570 16.431 -27.022 1.00 3.15 C ATOM 590 CZ PHE A 38 8.256 17.607 -27.256 1.00 14.34 C ATOM 0 H PHE A 38 10.387 12.970 -26.275 1.00 61.14 H new ATOM 0 HA PHE A 38 11.854 15.012 -24.709 1.00 1.04 H new ATOM 0 HB2 PHE A 38 9.026 13.976 -24.292 1.00 12.12 H new ATOM 0 HB3 PHE A 38 9.805 15.278 -23.416 1.00 12.12 H new ATOM 0 HD1 PHE A 38 10.810 17.176 -25.102 1.00 15.12 H new ATOM 0 HD2 PHE A 38 7.510 14.608 -25.914 1.00 60.13 H new ATOM 0 HE1 PHE A 38 9.959 18.791 -26.747 1.00 4.43 H new ATOM 0 HE2 PHE A 38 6.659 16.220 -27.562 1.00 3.15 H new ATOM 0 HZ PHE A 38 7.881 18.317 -27.978 1.00 14.34 H new ATOM 600 N GLU A 39 12.653 13.312 -23.114 1.00 35.11 N ATOM 601 CA GLU A 39 13.140 12.349 -22.134 1.00 33.34 C ATOM 602 C GLU A 39 12.785 12.788 -20.716 1.00 53.20 C ATOM 603 O GLU A 39 13.426 13.673 -20.149 1.00 51.35 O ATOM 604 CB GLU A 39 14.655 12.179 -22.262 1.00 72.51 C ATOM 605 CG GLU A 39 15.117 10.736 -22.147 1.00 62.35 C ATOM 606 CD GLU A 39 15.253 10.279 -20.708 1.00 10.21 C ATOM 607 OE1 GLU A 39 14.213 10.135 -20.031 1.00 61.44 O ATOM 608 OE2 GLU A 39 16.398 10.067 -20.258 1.00 21.14 O ATOM 0 H GLU A 39 13.266 14.114 -23.258 1.00 35.11 H new ATOM 0 HA GLU A 39 12.656 11.393 -22.332 1.00 33.34 H new ATOM 0 HB2 GLU A 39 14.977 12.579 -23.223 1.00 72.51 H new ATOM 0 HB3 GLU A 39 15.145 12.771 -21.489 1.00 72.51 H new ATOM 0 HG2 GLU A 39 14.408 10.089 -22.664 1.00 62.35 H new ATOM 0 HG3 GLU A 39 16.077 10.625 -22.652 1.00 62.35 H new ATOM 615 N VAL A 40 11.758 12.163 -20.149 1.00 13.33 N ATOM 616 CA VAL A 40 11.317 12.489 -18.798 1.00 34.44 C ATOM 617 C VAL A 40 11.840 11.472 -17.789 1.00 52.01 C ATOM 618 O VAL A 40 12.404 10.445 -18.165 1.00 32.14 O ATOM 619 CB VAL A 40 9.780 12.542 -18.706 1.00 70.24 C ATOM 620 CG1 VAL A 40 9.223 13.573 -19.676 1.00 12.14 C ATOM 621 CG2 VAL A 40 9.183 11.169 -18.975 1.00 31.43 C ATOM 0 H VAL A 40 11.216 11.428 -20.604 1.00 13.33 H new ATOM 0 HA VAL A 40 11.722 13.473 -18.562 1.00 34.44 H new ATOM 0 HB VAL A 40 9.504 12.842 -17.695 1.00 70.24 H new ATOM 0 HG11 VAL A 40 8.136 13.597 -19.597 1.00 12.14 H new ATOM 0 HG12 VAL A 40 9.626 14.556 -19.433 1.00 12.14 H new ATOM 0 HG13 VAL A 40 9.507 13.306 -20.694 1.00 12.14 H new ATOM 0 HG21 VAL A 40 8.097 11.225 -18.906 1.00 31.43 H new ATOM 0 HG22 VAL A 40 9.467 10.838 -19.974 1.00 31.43 H new ATOM 0 HG23 VAL A 40 9.557 10.459 -18.238 1.00 31.43 H new ATOM 631 N GLU A 41 11.648 11.766 -16.507 1.00 31.02 N ATOM 632 CA GLU A 41 12.101 10.877 -15.444 1.00 23.31 C ATOM 633 C GLU A 41 10.941 10.479 -14.535 1.00 44.33 C ATOM 634 O GLU A 41 10.152 11.324 -14.114 1.00 75.32 O ATOM 635 CB GLU A 41 13.201 11.549 -14.620 1.00 43.52 C ATOM 636 CG GLU A 41 13.681 10.712 -13.447 1.00 4.13 C ATOM 637 CD GLU A 41 14.727 11.424 -12.611 1.00 43.30 C ATOM 638 OE1 GLU A 41 15.319 12.404 -13.109 1.00 40.43 O ATOM 639 OE2 GLU A 41 14.954 11.001 -11.458 1.00 74.20 O ATOM 0 H GLU A 41 11.182 12.612 -16.180 1.00 31.02 H new ATOM 0 HA GLU A 41 12.503 9.976 -15.907 1.00 23.31 H new ATOM 0 HB2 GLU A 41 14.048 11.767 -15.270 1.00 43.52 H new ATOM 0 HB3 GLU A 41 12.831 12.504 -14.247 1.00 43.52 H new ATOM 0 HG2 GLU A 41 12.830 10.456 -12.816 1.00 4.13 H new ATOM 0 HG3 GLU A 41 14.095 9.775 -13.819 1.00 4.13 H new ATOM 646 N ALA A 42 10.846 9.187 -14.238 1.00 41.42 N ATOM 647 CA ALA A 42 9.785 8.677 -13.379 1.00 53.51 C ATOM 648 C ALA A 42 10.331 8.267 -12.016 1.00 63.52 C ATOM 649 O ALA A 42 11.119 7.326 -11.909 1.00 53.01 O ATOM 650 CB ALA A 42 9.085 7.502 -14.046 1.00 1.24 C ATOM 0 H ALA A 42 11.491 8.475 -14.580 1.00 41.42 H new ATOM 0 HA ALA A 42 9.061 9.477 -13.224 1.00 53.51 H new ATOM 0 HB1 ALA A 42 8.295 7.131 -13.393 1.00 1.24 H new ATOM 0 HB2 ALA A 42 8.652 7.826 -14.992 1.00 1.24 H new ATOM 0 HB3 ALA A 42 9.806 6.706 -14.231 1.00 1.24 H new ATOM 656 N LYS A 43 9.910 8.977 -10.976 1.00 14.51 N ATOM 657 CA LYS A 43 10.356 8.687 -9.619 1.00 20.04 C ATOM 658 C LYS A 43 9.185 8.256 -8.741 1.00 61.23 C ATOM 659 O LYS A 43 9.363 7.522 -7.769 1.00 0.22 O ATOM 660 CB LYS A 43 11.038 9.915 -9.010 1.00 71.42 C ATOM 661 CG LYS A 43 12.551 9.900 -9.147 1.00 15.41 C ATOM 662 CD LYS A 43 13.234 10.040 -7.797 1.00 13.22 C ATOM 663 CE LYS A 43 14.519 9.229 -7.736 1.00 33.23 C ATOM 664 NZ LYS A 43 15.601 9.841 -8.556 1.00 33.24 N ATOM 0 H LYS A 43 9.259 9.759 -11.047 1.00 14.51 H new ATOM 0 HA LYS A 43 11.073 7.867 -9.667 1.00 20.04 H new ATOM 0 HB2 LYS A 43 10.647 10.813 -9.489 1.00 71.42 H new ATOM 0 HB3 LYS A 43 10.778 9.978 -7.953 1.00 71.42 H new ATOM 0 HG2 LYS A 43 12.865 8.970 -9.620 1.00 15.41 H new ATOM 0 HG3 LYS A 43 12.866 10.713 -9.801 1.00 15.41 H new ATOM 0 HD2 LYS A 43 13.456 11.090 -7.607 1.00 13.22 H new ATOM 0 HD3 LYS A 43 12.557 9.710 -7.009 1.00 13.22 H new ATOM 0 HE2 LYS A 43 14.849 9.149 -6.700 1.00 33.23 H new ATOM 0 HE3 LYS A 43 14.326 8.216 -8.088 1.00 33.23 H new ATOM 0 HZ1 LYS A 43 16.356 9.143 -8.712 1.00 33.24 H new ATOM 0 HZ2 LYS A 43 15.213 10.143 -9.473 1.00 33.24 H new ATOM 0 HZ3 LYS A 43 15.991 10.666 -8.057 1.00 33.24 H new ATOM 678 N ASP A 44 7.989 8.715 -9.092 1.00 32.31 N ATOM 679 CA ASP A 44 6.788 8.374 -8.338 1.00 0.13 C ATOM 680 C ASP A 44 5.556 9.029 -8.953 1.00 55.14 C ATOM 681 O ASP A 44 5.642 9.678 -9.996 1.00 32.14 O ATOM 682 CB ASP A 44 6.936 8.808 -6.879 1.00 23.04 C ATOM 683 CG ASP A 44 7.491 10.213 -6.746 1.00 33.22 C ATOM 684 OD1 ASP A 44 6.737 11.174 -7.002 1.00 54.42 O ATOM 685 OD2 ASP A 44 8.679 10.351 -6.386 1.00 71.43 O ATOM 0 H ASP A 44 7.825 9.324 -9.894 1.00 32.31 H new ATOM 0 HA ASP A 44 6.660 7.292 -8.376 1.00 0.13 H new ATOM 0 HB2 ASP A 44 5.965 8.756 -6.387 1.00 23.04 H new ATOM 0 HB3 ASP A 44 7.593 8.110 -6.360 1.00 23.04 H new ATOM 690 N GLN A 45 4.410 8.853 -8.302 1.00 45.20 N ATOM 691 CA GLN A 45 3.160 9.426 -8.787 1.00 64.02 C ATOM 692 C GLN A 45 3.315 10.919 -9.058 1.00 74.11 C ATOM 693 O GLN A 45 2.660 11.470 -9.942 1.00 31.12 O ATOM 694 CB GLN A 45 2.040 9.193 -7.772 1.00 22.20 C ATOM 695 CG GLN A 45 2.405 9.612 -6.357 1.00 34.11 C ATOM 696 CD GLN A 45 2.334 8.462 -5.371 1.00 44.14 C ATOM 697 OE1 GLN A 45 1.263 7.912 -5.117 1.00 15.01 O ATOM 698 NE2 GLN A 45 3.480 8.092 -4.810 1.00 53.24 N ATOM 0 H GLN A 45 4.322 8.318 -7.438 1.00 45.20 H new ATOM 0 HA GLN A 45 2.901 8.931 -9.723 1.00 64.02 H new ATOM 0 HB2 GLN A 45 1.154 9.744 -8.088 1.00 22.20 H new ATOM 0 HB3 GLN A 45 1.775 8.136 -7.772 1.00 22.20 H new ATOM 0 HG2 GLN A 45 3.413 10.027 -6.354 1.00 34.11 H new ATOM 0 HG3 GLN A 45 1.732 10.406 -6.032 1.00 34.11 H new ATOM 0 HE21 GLN A 45 4.345 8.576 -5.050 1.00 53.24 H new ATOM 0 HE22 GLN A 45 3.495 7.324 -4.139 1.00 53.24 H new ATOM 707 N ASN A 46 4.185 11.568 -8.291 1.00 35.32 N ATOM 708 CA ASN A 46 4.424 12.998 -8.448 1.00 30.23 C ATOM 709 C ASN A 46 5.332 13.269 -9.643 1.00 52.44 C ATOM 710 O ASN A 46 6.542 13.438 -9.492 1.00 42.43 O ATOM 711 CB ASN A 46 5.051 13.574 -7.176 1.00 74.41 C ATOM 712 CG ASN A 46 4.789 15.060 -7.025 1.00 21.34 C ATOM 713 OD1 ASN A 46 5.699 15.878 -7.159 1.00 11.23 O ATOM 714 ND2 ASN A 46 3.541 15.415 -6.743 1.00 72.13 N ATOM 0 H ASN A 46 4.736 11.127 -7.555 1.00 35.32 H new ATOM 0 HA ASN A 46 3.465 13.484 -8.625 1.00 30.23 H new ATOM 0 HB2 ASN A 46 4.654 13.048 -6.308 1.00 74.41 H new ATOM 0 HB3 ASN A 46 6.126 13.397 -7.192 1.00 74.41 H new ATOM 0 HD21 ASN A 46 3.305 16.401 -6.629 1.00 72.13 H new ATOM 0 HD22 ASN A 46 2.819 14.702 -6.641 1.00 72.13 H new ATOM 721 N CYS A 47 4.739 13.310 -10.832 1.00 1.50 N ATOM 722 CA CYS A 47 5.493 13.562 -12.054 1.00 74.45 C ATOM 723 C CYS A 47 5.240 14.976 -12.568 1.00 51.13 C ATOM 724 O CYS A 47 4.102 15.445 -12.595 1.00 52.05 O ATOM 725 CB CYS A 47 5.115 12.541 -13.130 1.00 53.31 C ATOM 726 SG CYS A 47 5.800 10.877 -12.850 1.00 31.14 S ATOM 0 H CYS A 47 3.739 13.172 -10.975 1.00 1.50 H new ATOM 0 HA CYS A 47 6.554 13.463 -11.824 1.00 74.45 H new ATOM 0 HB2 CYS A 47 4.029 12.471 -13.183 1.00 53.31 H new ATOM 0 HB3 CYS A 47 5.459 12.905 -14.098 1.00 53.31 H new ATOM 731 N LYS A 48 6.309 15.651 -12.976 1.00 2.44 N ATOM 732 CA LYS A 48 6.205 17.012 -13.490 1.00 64.45 C ATOM 733 C LYS A 48 6.881 17.131 -14.853 1.00 22.23 C ATOM 734 O LYS A 48 7.960 16.579 -15.072 1.00 52.32 O ATOM 735 CB LYS A 48 6.837 18.000 -12.508 1.00 13.52 C ATOM 736 CG LYS A 48 8.351 17.904 -12.436 1.00 32.31 C ATOM 737 CD LYS A 48 8.865 18.229 -11.043 1.00 72.54 C ATOM 738 CE LYS A 48 10.172 19.003 -11.099 1.00 4.53 C ATOM 739 NZ LYS A 48 10.681 19.330 -9.738 1.00 4.41 N ATOM 0 H LYS A 48 7.258 15.278 -12.961 1.00 2.44 H new ATOM 0 HA LYS A 48 5.148 17.251 -13.605 1.00 64.45 H new ATOM 0 HB2 LYS A 48 6.559 19.014 -12.797 1.00 13.52 H new ATOM 0 HB3 LYS A 48 6.423 17.827 -11.515 1.00 13.52 H new ATOM 0 HG2 LYS A 48 8.666 16.899 -12.716 1.00 32.31 H new ATOM 0 HG3 LYS A 48 8.795 18.590 -13.158 1.00 32.31 H new ATOM 0 HD2 LYS A 48 8.118 18.813 -10.505 1.00 72.54 H new ATOM 0 HD3 LYS A 48 9.011 17.305 -10.483 1.00 72.54 H new ATOM 0 HE2 LYS A 48 10.919 18.417 -11.635 1.00 4.53 H new ATOM 0 HE3 LYS A 48 10.025 19.924 -11.663 1.00 4.53 H new ATOM 0 HZ1 LYS A 48 11.574 19.858 -9.819 1.00 4.41 H new ATOM 0 HZ2 LYS A 48 9.980 19.911 -9.235 1.00 4.41 H new ATOM 0 HZ3 LYS A 48 10.846 18.450 -9.208 1.00 4.41 H new ATOM 753 N VAL A 49 6.241 17.856 -15.765 1.00 31.53 N ATOM 754 CA VAL A 49 6.782 18.049 -17.105 1.00 13.32 C ATOM 755 C VAL A 49 8.212 18.573 -17.050 1.00 24.14 C ATOM 756 O VAL A 49 8.441 19.758 -16.804 1.00 63.30 O ATOM 757 CB VAL A 49 5.919 19.030 -17.922 1.00 21.52 C ATOM 758 CG1 VAL A 49 4.637 18.355 -18.385 1.00 30.42 C ATOM 759 CG2 VAL A 49 5.611 20.275 -17.105 1.00 53.32 C ATOM 0 H VAL A 49 5.347 18.319 -15.600 1.00 31.53 H new ATOM 0 HA VAL A 49 6.774 17.075 -17.593 1.00 13.32 H new ATOM 0 HB VAL A 49 6.481 19.333 -18.805 1.00 21.52 H new ATOM 0 HG11 VAL A 49 4.040 19.063 -18.960 1.00 30.42 H new ATOM 0 HG12 VAL A 49 4.883 17.496 -19.009 1.00 30.42 H new ATOM 0 HG13 VAL A 49 4.068 18.021 -17.517 1.00 30.42 H new ATOM 0 HG21 VAL A 49 5.001 20.957 -17.697 1.00 53.32 H new ATOM 0 HG22 VAL A 49 5.068 19.993 -16.203 1.00 53.32 H new ATOM 0 HG23 VAL A 49 6.543 20.769 -16.829 1.00 53.32 H new ATOM 769 N ILE A 50 9.172 17.683 -17.280 1.00 74.20 N ATOM 770 CA ILE A 50 10.580 18.056 -17.258 1.00 65.21 C ATOM 771 C ILE A 50 11.411 17.117 -18.127 1.00 2.15 C ATOM 772 O ILE A 50 11.069 15.946 -18.298 1.00 11.30 O ATOM 773 CB ILE A 50 11.144 18.044 -15.825 1.00 12.02 C ATOM 774 CG1 ILE A 50 12.544 18.661 -15.799 1.00 31.54 C ATOM 775 CG2 ILE A 50 11.174 16.624 -15.279 1.00 40.12 C ATOM 776 CD1 ILE A 50 12.922 19.245 -14.456 1.00 32.15 C ATOM 0 H ILE A 50 9.000 16.699 -17.484 1.00 74.20 H new ATOM 0 HA ILE A 50 10.644 19.069 -17.656 1.00 65.21 H new ATOM 0 HB ILE A 50 10.492 18.643 -15.189 1.00 12.02 H new ATOM 0 HG12 ILE A 50 13.273 17.899 -16.073 1.00 31.54 H new ATOM 0 HG13 ILE A 50 12.601 19.444 -16.556 1.00 31.54 H new ATOM 0 HG21 ILE A 50 11.575 16.632 -14.266 1.00 40.12 H new ATOM 0 HG22 ILE A 50 10.163 16.218 -15.266 1.00 40.12 H new ATOM 0 HG23 ILE A 50 11.806 16.003 -15.914 1.00 40.12 H new ATOM 0 HD11 ILE A 50 13.927 19.665 -14.511 1.00 32.15 H new ATOM 0 HD12 ILE A 50 12.215 20.030 -14.189 1.00 32.15 H new ATOM 0 HD13 ILE A 50 12.897 18.462 -13.699 1.00 32.15 H new ATOM 788 N LEU A 51 12.505 17.637 -18.671 1.00 44.42 N ATOM 789 CA LEU A 51 13.388 16.845 -19.521 1.00 52.41 C ATOM 790 C LEU A 51 14.770 16.706 -18.891 1.00 32.32 C ATOM 791 O LEU A 51 15.223 17.587 -18.159 1.00 61.33 O ATOM 792 CB LEU A 51 13.508 17.488 -20.904 1.00 60.10 C ATOM 793 CG LEU A 51 12.213 18.039 -21.503 1.00 65.31 C ATOM 794 CD1 LEU A 51 12.515 18.930 -22.698 1.00 21.20 C ATOM 795 CD2 LEU A 51 11.285 16.901 -21.904 1.00 44.44 C ATOM 0 H LEU A 51 12.802 18.604 -18.539 1.00 44.42 H new ATOM 0 HA LEU A 51 12.955 15.850 -19.625 1.00 52.41 H new ATOM 0 HB2 LEU A 51 14.231 18.301 -20.843 1.00 60.10 H new ATOM 0 HB3 LEU A 51 13.917 16.748 -21.592 1.00 60.10 H new ATOM 0 HG LEU A 51 11.711 18.641 -20.745 1.00 65.31 H new ATOM 0 HD11 LEU A 51 11.582 19.313 -23.111 1.00 21.20 H new ATOM 0 HD12 LEU A 51 13.141 19.764 -22.381 1.00 21.20 H new ATOM 0 HD13 LEU A 51 13.039 18.352 -23.459 1.00 21.20 H new ATOM 0 HD21 LEU A 51 10.369 17.311 -22.328 1.00 44.44 H new ATOM 0 HD22 LEU A 51 11.779 16.273 -22.646 1.00 44.44 H new ATOM 0 HD23 LEU A 51 11.042 16.303 -21.026 1.00 44.44 H new ATOM 807 N THR A 52 15.437 15.593 -19.181 1.00 2.03 N ATOM 808 CA THR A 52 16.768 15.338 -18.644 1.00 32.03 C ATOM 809 C THR A 52 17.846 15.938 -19.539 1.00 22.13 C ATOM 810 O THR A 52 19.037 15.717 -19.325 1.00 2.15 O ATOM 811 CB THR A 52 17.030 13.828 -18.485 1.00 13.40 C ATOM 812 OG1 THR A 52 18.248 13.616 -17.763 1.00 33.23 O ATOM 813 CG2 THR A 52 17.114 13.148 -19.843 1.00 1.00 C ATOM 0 H THR A 52 15.077 14.854 -19.785 1.00 2.03 H new ATOM 0 HA THR A 52 16.809 15.811 -17.663 1.00 32.03 H new ATOM 0 HB THR A 52 16.199 13.393 -17.930 1.00 13.40 H new ATOM 0 HG1 THR A 52 18.957 14.174 -18.146 1.00 33.23 H new ATOM 0 HG21 THR A 52 17.299 12.083 -19.706 1.00 1.00 H new ATOM 0 HG22 THR A 52 16.175 13.287 -20.378 1.00 1.00 H new ATOM 0 HG23 THR A 52 17.928 13.587 -20.420 1.00 1.00 H new ATOM 821 N ASN A 53 17.420 16.698 -20.542 1.00 43.51 N ATOM 822 CA ASN A 53 18.351 17.331 -21.470 1.00 72.21 C ATOM 823 C ASN A 53 18.610 18.782 -21.076 1.00 61.23 C ATOM 824 O ASN A 53 18.847 19.635 -21.930 1.00 40.03 O ATOM 825 CB ASN A 53 17.802 17.268 -22.897 1.00 2.10 C ATOM 826 CG ASN A 53 18.893 17.402 -23.942 1.00 71.11 C ATOM 827 OD1 ASN A 53 19.677 16.478 -24.159 1.00 74.33 O ATOM 828 ND2 ASN A 53 18.948 18.557 -24.595 1.00 72.12 N ATOM 0 H ASN A 53 16.437 16.891 -20.733 1.00 43.51 H new ATOM 0 HA ASN A 53 19.295 16.788 -21.426 1.00 72.21 H new ATOM 0 HB2 ASN A 53 17.279 16.323 -23.041 1.00 2.10 H new ATOM 0 HB3 ASN A 53 17.069 18.062 -23.037 1.00 2.10 H new ATOM 0 HD21 ASN A 53 19.661 18.706 -25.309 1.00 72.12 H new ATOM 0 HD22 ASN A 53 18.277 19.296 -24.382 1.00 72.12 H new ATOM 835 N GLY A 54 18.564 19.054 -19.776 1.00 33.25 N ATOM 836 CA GLY A 54 18.796 20.402 -19.291 1.00 32.12 C ATOM 837 C GLY A 54 17.781 21.393 -19.825 1.00 34.23 C ATOM 838 O GLY A 54 18.070 22.583 -19.951 1.00 60.23 O ATOM 0 H GLY A 54 18.370 18.365 -19.049 1.00 33.25 H new ATOM 0 HA2 GLY A 54 18.762 20.404 -18.202 1.00 32.12 H new ATOM 0 HA3 GLY A 54 19.797 20.721 -19.579 1.00 32.12 H new ATOM 842 N LYS A 55 16.587 20.902 -20.141 1.00 11.24 N ATOM 843 CA LYS A 55 15.524 21.752 -20.665 1.00 21.15 C ATOM 844 C LYS A 55 14.173 21.359 -20.075 1.00 42.31 C ATOM 845 O LYS A 55 13.995 20.237 -19.603 1.00 62.21 O ATOM 846 CB LYS A 55 15.473 21.657 -22.191 1.00 44.41 C ATOM 847 CG LYS A 55 16.005 22.894 -22.895 1.00 71.11 C ATOM 848 CD LYS A 55 17.451 22.713 -23.324 1.00 5.15 C ATOM 849 CE LYS A 55 17.837 23.700 -24.415 1.00 2.14 C ATOM 850 NZ LYS A 55 18.920 24.621 -23.972 1.00 3.13 N ATOM 0 H LYS A 55 16.331 19.919 -20.043 1.00 11.24 H new ATOM 0 HA LYS A 55 15.741 22.781 -20.378 1.00 21.15 H new ATOM 0 HB2 LYS A 55 16.050 20.790 -22.512 1.00 44.41 H new ATOM 0 HB3 LYS A 55 14.442 21.487 -22.502 1.00 44.41 H new ATOM 0 HG2 LYS A 55 15.390 23.109 -23.769 1.00 71.11 H new ATOM 0 HG3 LYS A 55 15.927 23.754 -22.230 1.00 71.11 H new ATOM 0 HD2 LYS A 55 18.106 22.846 -22.463 1.00 5.15 H new ATOM 0 HD3 LYS A 55 17.600 21.695 -23.684 1.00 5.15 H new ATOM 0 HE2 LYS A 55 18.164 23.154 -25.300 1.00 2.14 H new ATOM 0 HE3 LYS A 55 16.962 24.281 -24.705 1.00 2.14 H new ATOM 0 HZ1 LYS A 55 19.154 25.278 -24.744 1.00 3.13 H new ATOM 0 HZ2 LYS A 55 18.599 25.161 -23.143 1.00 3.13 H new ATOM 0 HZ3 LYS A 55 19.764 24.068 -23.720 1.00 3.13 H new ATOM 864 N GLN A 56 13.225 22.290 -20.108 1.00 3.44 N ATOM 865 CA GLN A 56 11.890 22.040 -19.577 1.00 25.20 C ATOM 866 C GLN A 56 10.863 21.967 -20.701 1.00 74.13 C ATOM 867 O GLN A 56 10.992 22.647 -21.719 1.00 21.32 O ATOM 868 CB GLN A 56 11.500 23.135 -18.583 1.00 51.00 C ATOM 869 CG GLN A 56 11.258 24.488 -19.233 1.00 3.04 C ATOM 870 CD GLN A 56 10.927 25.569 -18.223 1.00 1.31 C ATOM 871 OE1 GLN A 56 9.801 26.064 -18.173 1.00 13.11 O ATOM 872 NE2 GLN A 56 11.909 25.942 -17.411 1.00 4.22 N ATOM 0 H GLN A 56 13.356 23.224 -20.497 1.00 3.44 H new ATOM 0 HA GLN A 56 11.905 21.080 -19.061 1.00 25.20 H new ATOM 0 HB2 GLN A 56 10.598 22.829 -18.053 1.00 51.00 H new ATOM 0 HB3 GLN A 56 12.289 23.235 -17.837 1.00 51.00 H new ATOM 0 HG2 GLN A 56 12.145 24.781 -19.795 1.00 3.04 H new ATOM 0 HG3 GLN A 56 10.440 24.402 -19.949 1.00 3.04 H new ATOM 0 HE21 GLN A 56 12.827 25.505 -17.487 1.00 4.22 H new ATOM 0 HE22 GLN A 56 11.745 26.666 -16.711 1.00 4.22 H new ATOM 881 N ALA A 57 9.842 21.138 -20.510 1.00 72.32 N ATOM 882 CA ALA A 57 8.791 20.977 -21.507 1.00 52.34 C ATOM 883 C ALA A 57 8.217 22.328 -21.922 1.00 61.14 C ATOM 884 O ALA A 57 8.356 23.330 -21.221 1.00 42.44 O ATOM 885 CB ALA A 57 7.689 20.075 -20.972 1.00 55.42 C ATOM 0 H ALA A 57 9.720 20.567 -19.673 1.00 72.32 H new ATOM 0 HA ALA A 57 9.230 20.511 -22.389 1.00 52.34 H new ATOM 0 HB1 ALA A 57 6.911 19.964 -21.727 1.00 55.42 H new ATOM 0 HB2 ALA A 57 8.104 19.096 -20.732 1.00 55.42 H new ATOM 0 HB3 ALA A 57 7.261 20.518 -20.073 1.00 55.42 H new ATOM 891 N PRO A 58 7.557 22.358 -23.090 1.00 31.24 N ATOM 892 CA PRO A 58 6.949 23.580 -23.624 1.00 60.01 C ATOM 893 C PRO A 58 5.736 24.026 -22.814 1.00 43.25 C ATOM 894 O PRO A 58 5.461 23.486 -21.743 1.00 13.41 O ATOM 895 CB PRO A 58 6.528 23.177 -25.040 1.00 2.14 C ATOM 896 CG PRO A 58 6.344 21.700 -24.974 1.00 14.20 C ATOM 897 CD PRO A 58 7.352 21.201 -23.977 1.00 65.31 C ATOM 0 HA PRO A 58 7.637 24.425 -23.593 1.00 60.01 H new ATOM 0 HB2 PRO A 58 5.607 23.678 -25.337 1.00 2.14 H new ATOM 0 HB3 PRO A 58 7.289 23.449 -25.772 1.00 2.14 H new ATOM 0 HG2 PRO A 58 5.330 21.447 -24.664 1.00 14.20 H new ATOM 0 HG3 PRO A 58 6.502 21.243 -25.951 1.00 14.20 H new ATOM 0 HD2 PRO A 58 6.980 20.335 -23.429 1.00 65.31 H new ATOM 0 HD3 PRO A 58 8.280 20.897 -24.462 1.00 65.31 H new ATOM 905 N ASP A 59 5.015 25.014 -23.334 1.00 21.44 N ATOM 906 CA ASP A 59 3.830 25.531 -22.659 1.00 43.43 C ATOM 907 C ASP A 59 2.607 24.678 -22.979 1.00 32.14 C ATOM 908 O ASP A 59 1.571 24.790 -22.322 1.00 43.25 O ATOM 909 CB ASP A 59 3.577 26.983 -23.070 1.00 74.44 C ATOM 910 CG ASP A 59 3.041 27.823 -21.928 1.00 20.22 C ATOM 911 OD1 ASP A 59 1.857 27.651 -21.569 1.00 1.03 O ATOM 912 OD2 ASP A 59 3.806 28.651 -21.392 1.00 10.50 O ATOM 0 H ASP A 59 5.230 25.472 -24.220 1.00 21.44 H new ATOM 0 HA ASP A 59 4.007 25.491 -21.584 1.00 43.43 H new ATOM 0 HB2 ASP A 59 4.506 27.421 -23.435 1.00 74.44 H new ATOM 0 HB3 ASP A 59 2.868 27.005 -23.897 1.00 74.44 H new ATOM 917 N TRP A 60 2.734 23.827 -23.990 1.00 74.21 N ATOM 918 CA TRP A 60 1.637 22.955 -24.397 1.00 64.01 C ATOM 919 C TRP A 60 1.890 21.519 -23.952 1.00 30.22 C ATOM 920 O TRP A 60 1.351 20.575 -24.531 1.00 62.24 O ATOM 921 CB TRP A 60 1.454 23.007 -25.915 1.00 31.33 C ATOM 922 CG TRP A 60 2.733 22.821 -26.674 1.00 75.23 C ATOM 923 CD1 TRP A 60 3.632 23.790 -27.015 1.00 11.41 C ATOM 924 CD2 TRP A 60 3.252 21.590 -27.189 1.00 23.02 C ATOM 925 NE1 TRP A 60 4.680 23.236 -27.710 1.00 54.52 N ATOM 926 CE2 TRP A 60 4.471 21.888 -27.829 1.00 60.14 C ATOM 927 CE3 TRP A 60 2.808 20.265 -27.169 1.00 3.20 C ATOM 928 CZ2 TRP A 60 5.247 20.909 -28.444 1.00 42.12 C ATOM 929 CZ3 TRP A 60 3.580 19.295 -27.780 1.00 34.11 C ATOM 930 CH2 TRP A 60 4.788 19.620 -28.410 1.00 3.42 C ATOM 0 H TRP A 60 3.585 23.722 -24.543 1.00 74.21 H new ATOM 0 HA TRP A 60 0.726 23.309 -23.916 1.00 64.01 H new ATOM 0 HB2 TRP A 60 0.746 22.234 -26.215 1.00 31.33 H new ATOM 0 HB3 TRP A 60 1.014 23.966 -26.188 1.00 31.33 H new ATOM 0 HD1 TRP A 60 3.534 24.838 -26.774 1.00 11.41 H new ATOM 0 HE1 TRP A 60 5.483 23.746 -28.078 1.00 54.52 H new ATOM 0 HE3 TRP A 60 1.879 20.004 -26.685 1.00 3.20 H new ATOM 0 HZ2 TRP A 60 6.178 21.158 -28.931 1.00 42.12 H new ATOM 0 HZ3 TRP A 60 3.246 18.268 -27.772 1.00 34.11 H new ATOM 0 HH2 TRP A 60 5.368 18.839 -28.878 1.00 3.42 H new ATOM 941 N LEU A 61 2.711 21.360 -22.920 1.00 64.31 N ATOM 942 CA LEU A 61 3.035 20.037 -22.397 1.00 1.03 C ATOM 943 C LEU A 61 2.511 19.871 -20.974 1.00 12.21 C ATOM 944 O LEU A 61 2.497 20.821 -20.192 1.00 43.42 O ATOM 945 CB LEU A 61 4.548 19.812 -22.424 1.00 51.14 C ATOM 946 CG LEU A 61 5.034 18.620 -23.249 1.00 62.11 C ATOM 947 CD1 LEU A 61 4.313 17.349 -22.827 1.00 5.12 C ATOM 948 CD2 LEU A 61 4.832 18.881 -24.735 1.00 3.24 C ATOM 0 H LEU A 61 3.165 22.130 -22.429 1.00 64.31 H new ATOM 0 HA LEU A 61 2.552 19.294 -23.032 1.00 1.03 H new ATOM 0 HB2 LEU A 61 5.023 20.714 -22.811 1.00 51.14 H new ATOM 0 HB3 LEU A 61 4.895 19.684 -21.399 1.00 51.14 H new ATOM 0 HG LEU A 61 6.100 18.487 -23.065 1.00 62.11 H new ATOM 0 HD11 LEU A 61 4.672 16.511 -23.425 1.00 5.12 H new ATOM 0 HD12 LEU A 61 4.509 17.152 -21.773 1.00 5.12 H new ATOM 0 HD13 LEU A 61 3.241 17.471 -22.980 1.00 5.12 H new ATOM 0 HD21 LEU A 61 5.184 18.022 -25.306 1.00 3.24 H new ATOM 0 HD22 LEU A 61 3.773 19.041 -24.936 1.00 3.24 H new ATOM 0 HD23 LEU A 61 5.395 19.767 -25.029 1.00 3.24 H new ATOM 960 N ALA A 62 2.082 18.657 -20.645 1.00 11.24 N ATOM 961 CA ALA A 62 1.561 18.366 -19.315 1.00 31.41 C ATOM 962 C ALA A 62 1.847 16.921 -18.918 1.00 1.54 C ATOM 963 O ALA A 62 2.260 16.110 -19.746 1.00 10.23 O ATOM 964 CB ALA A 62 0.066 18.644 -19.261 1.00 70.52 C ATOM 0 H ALA A 62 2.085 17.860 -21.281 1.00 11.24 H new ATOM 0 HA ALA A 62 2.066 19.018 -18.603 1.00 31.41 H new ATOM 0 HB1 ALA A 62 -0.309 18.422 -18.262 1.00 70.52 H new ATOM 0 HB2 ALA A 62 -0.118 19.693 -19.493 1.00 70.52 H new ATOM 0 HB3 ALA A 62 -0.447 18.016 -19.989 1.00 70.52 H new ATOM 970 N ALA A 63 1.626 16.608 -17.645 1.00 74.33 N ATOM 971 CA ALA A 63 1.859 15.261 -17.139 1.00 74.20 C ATOM 972 C ALA A 63 1.052 15.004 -15.871 1.00 31.13 C ATOM 973 O ALA A 63 1.305 15.610 -14.830 1.00 40.44 O ATOM 974 CB ALA A 63 3.342 15.045 -16.876 1.00 74.14 C ATOM 0 H ALA A 63 1.286 17.269 -16.946 1.00 74.33 H new ATOM 0 HA ALA A 63 1.529 14.552 -17.898 1.00 74.20 H new ATOM 0 HB1 ALA A 63 3.501 14.035 -16.498 1.00 74.14 H new ATOM 0 HB2 ALA A 63 3.899 15.178 -17.803 1.00 74.14 H new ATOM 0 HB3 ALA A 63 3.690 15.767 -16.137 1.00 74.14 H new ATOM 980 N GLU A 64 0.080 14.102 -15.965 1.00 71.05 N ATOM 981 CA GLU A 64 -0.764 13.767 -14.825 1.00 14.12 C ATOM 982 C GLU A 64 -0.441 12.371 -14.299 1.00 42.54 C ATOM 983 O GLU A 64 0.151 11.542 -14.991 1.00 1.33 O ATOM 984 CB GLU A 64 -2.242 13.847 -15.215 1.00 1.44 C ATOM 985 CG GLU A 64 -2.854 15.221 -15.000 1.00 13.31 C ATOM 986 CD GLU A 64 -4.334 15.156 -14.676 1.00 12.22 C ATOM 987 OE1 GLU A 64 -5.005 14.218 -15.156 1.00 12.53 O ATOM 988 OE2 GLU A 64 -4.821 16.042 -13.943 1.00 53.22 O ATOM 0 H GLU A 64 -0.142 13.590 -16.819 1.00 71.05 H new ATOM 0 HA GLU A 64 -0.564 14.490 -14.034 1.00 14.12 H new ATOM 0 HB2 GLU A 64 -2.348 13.571 -16.264 1.00 1.44 H new ATOM 0 HB3 GLU A 64 -2.802 13.114 -14.635 1.00 1.44 H new ATOM 0 HG2 GLU A 64 -2.330 15.725 -14.188 1.00 13.31 H new ATOM 0 HG3 GLU A 64 -2.708 15.824 -15.896 1.00 13.31 H new ATOM 995 N PRO A 65 -0.837 12.105 -13.046 1.00 74.22 N ATOM 996 CA PRO A 65 -0.601 10.811 -12.399 1.00 62.34 C ATOM 997 C PRO A 65 -1.444 9.696 -13.008 1.00 72.40 C ATOM 998 O PRO A 65 -2.104 9.890 -14.029 1.00 52.10 O ATOM 999 CB PRO A 65 -1.012 11.060 -10.946 1.00 72.02 C ATOM 1000 CG PRO A 65 -1.991 12.181 -11.017 1.00 2.15 C ATOM 1001 CD PRO A 65 -1.548 13.046 -12.164 1.00 60.12 C ATOM 0 HA PRO A 65 0.431 10.481 -12.513 1.00 62.34 H new ATOM 0 HB2 PRO A 65 -1.460 10.170 -10.503 1.00 72.02 H new ATOM 0 HB3 PRO A 65 -0.152 11.324 -10.331 1.00 72.02 H new ATOM 0 HG2 PRO A 65 -3.002 11.807 -11.178 1.00 2.15 H new ATOM 0 HG3 PRO A 65 -2.005 12.746 -10.085 1.00 2.15 H new ATOM 0 HD2 PRO A 65 -2.396 13.508 -12.670 1.00 60.12 H new ATOM 0 HD3 PRO A 65 -0.897 13.854 -11.830 1.00 60.12 H new ATOM 1009 N TYR A 66 -1.418 8.528 -12.375 1.00 53.11 N ATOM 1010 CA TYR A 66 -2.179 7.381 -12.856 1.00 13.12 C ATOM 1011 C TYR A 66 -3.671 7.569 -12.595 1.00 62.04 C ATOM 1012 O TYR A 66 -4.115 7.572 -11.449 1.00 21.14 O ATOM 1013 CB TYR A 66 -1.690 6.099 -12.181 1.00 20.33 C ATOM 1014 CG TYR A 66 -2.339 4.844 -12.721 1.00 43.42 C ATOM 1015 CD1 TYR A 66 -2.235 4.509 -14.066 1.00 2.13 C ATOM 1016 CD2 TYR A 66 -3.056 3.995 -11.888 1.00 13.20 C ATOM 1017 CE1 TYR A 66 -2.826 3.365 -14.564 1.00 75.42 C ATOM 1018 CE2 TYR A 66 -3.650 2.848 -12.377 1.00 61.15 C ATOM 1019 CZ TYR A 66 -3.532 2.537 -13.716 1.00 54.01 C ATOM 1020 OH TYR A 66 -4.124 1.396 -14.208 1.00 25.21 O ATOM 0 H TYR A 66 -0.878 8.351 -11.528 1.00 53.11 H new ATOM 0 HA TYR A 66 -2.024 7.299 -13.932 1.00 13.12 H new ATOM 0 HB2 TYR A 66 -0.610 6.022 -12.306 1.00 20.33 H new ATOM 0 HB3 TYR A 66 -1.883 6.166 -11.110 1.00 20.33 H new ATOM 0 HD1 TYR A 66 -1.683 5.155 -14.733 1.00 2.13 H new ATOM 0 HD2 TYR A 66 -3.151 4.236 -10.839 1.00 13.20 H new ATOM 0 HE1 TYR A 66 -2.736 3.120 -15.612 1.00 75.42 H new ATOM 0 HE2 TYR A 66 -4.204 2.198 -11.715 1.00 61.15 H new ATOM 0 HH TYR A 66 -4.581 0.925 -13.480 1.00 25.21 H new TER 1030 TYR A 66