USER MOD reduce.3.24.130724 H: found=0, std=0, add=514, rem=0, adj=11 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+ -136:sc= -0.0571 (180deg=-0.982) USER MOD Single : A 8 TYR OH : rot 180:sc= -0.242 USER MOD Single : A 9 TYR OH : rot 150:sc= -0.127 USER MOD Single : A 12 HIS : no HD1:sc= -0.719 X(o=-0.72,f=-0.46) 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= -0.145 USER MOD Single : A 28 THR OG1 : rot 34:sc= 0.14 USER MOD Single : A 30 THR OG1 : rot 180:sc= -0.687 USER MOD Single : A 32 THR OG1 : rot 180:sc= 0.042 USER MOD Single : A 36 HIS : no HD1:sc= 0 X(o=0,f=-0.0053) USER MOD Single : A 43 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 45 GLN : amide:sc= 0 X(o=0,f=-0.37) USER MOD Single : A 46 ASN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 48 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 52 THR OG1 : rot -44:sc= 0.696 USER MOD Single : A 53 ASN : amide:sc= -1.42 K(o=-1.4,f=-7.3!) 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 -1.270 -2.508 -0.913 1.00 53.50 N ATOM 2 CA ALA A 1 -0.403 -2.538 -2.084 1.00 53.33 C ATOM 3 C ALA A 1 -0.848 -1.513 -3.123 1.00 23.41 C ATOM 4 O ALA A 1 -1.408 -1.853 -4.165 1.00 70.31 O ATOM 5 CB ALA A 1 -0.384 -3.933 -2.691 1.00 10.11 C ATOM 0 H1 ALA A 1 -0.690 -2.547 -0.051 1.00 53.50 H new ATOM 0 H2 ALA A 1 -1.827 -1.630 -0.916 1.00 53.50 H new ATOM 0 H3 ALA A 1 -1.912 -3.325 -0.936 1.00 53.50 H new ATOM 0 HA ALA A 1 0.606 -2.279 -1.765 1.00 53.33 H new ATOM 0 HB1 ALA A 1 0.268 -3.941 -3.565 1.00 10.11 H new ATOM 0 HB2 ALA A 1 -0.012 -4.645 -1.955 1.00 10.11 H new ATOM 0 HB3 ALA A 1 -1.394 -4.214 -2.989 1.00 10.11 H new ATOM 11 N PRO A 2 -0.594 -0.228 -2.834 1.00 62.42 N ATOM 12 CA PRO A 2 -0.960 0.872 -3.731 1.00 61.21 C ATOM 13 C PRO A 2 -0.117 0.889 -5.002 1.00 30.23 C ATOM 14 O PRO A 2 1.048 0.492 -4.991 1.00 34.45 O ATOM 15 CB PRO A 2 -0.685 2.121 -2.890 1.00 53.25 C ATOM 16 CG PRO A 2 0.351 1.697 -1.908 1.00 60.51 C ATOM 17 CD PRO A 2 0.071 0.249 -1.610 1.00 51.51 C ATOM 0 HA PRO A 2 -1.991 0.791 -4.075 1.00 61.21 H new ATOM 0 HB2 PRO A 2 -0.330 2.945 -3.509 1.00 53.25 H new ATOM 0 HB3 PRO A 2 -1.588 2.467 -2.388 1.00 53.25 H new ATOM 0 HG2 PRO A 2 1.353 1.824 -2.318 1.00 60.51 H new ATOM 0 HG3 PRO A 2 0.299 2.299 -1.001 1.00 60.51 H new ATOM 0 HD2 PRO A 2 0.988 -0.305 -1.409 1.00 51.51 H new ATOM 0 HD3 PRO A 2 -0.568 0.135 -0.735 1.00 51.51 H new ATOM 25 N ALA A 3 -0.713 1.352 -6.096 1.00 31.34 N ATOM 26 CA ALA A 3 -0.016 1.423 -7.374 1.00 22.34 C ATOM 27 C ALA A 3 0.141 2.868 -7.834 1.00 1.12 C ATOM 28 O ALA A 3 -0.785 3.671 -7.717 1.00 71.41 O ATOM 29 CB ALA A 3 -0.757 0.610 -8.425 1.00 24.41 C ATOM 0 H ALA A 3 -1.677 1.684 -6.123 1.00 31.34 H new ATOM 0 HA ALA A 3 0.980 1.002 -7.240 1.00 22.34 H new ATOM 0 HB1 ALA A 3 -0.225 0.672 -9.375 1.00 24.41 H new ATOM 0 HB2 ALA A 3 -0.812 -0.431 -8.107 1.00 24.41 H new ATOM 0 HB3 ALA A 3 -1.765 1.006 -8.547 1.00 24.41 H new ATOM 35 N ARG A 4 1.319 3.193 -8.356 1.00 41.23 N ATOM 36 CA ARG A 4 1.597 4.543 -8.832 1.00 64.11 C ATOM 37 C ARG A 4 2.095 4.519 -10.274 1.00 64.03 C ATOM 38 O ARG A 4 2.970 3.728 -10.627 1.00 63.20 O ATOM 39 CB ARG A 4 2.635 5.219 -7.934 1.00 50.32 C ATOM 40 CG ARG A 4 2.218 5.299 -6.475 1.00 12.32 C ATOM 41 CD ARG A 4 3.374 4.963 -5.546 1.00 33.42 C ATOM 42 NE ARG A 4 3.091 5.337 -4.163 1.00 3.32 N ATOM 43 CZ ARG A 4 4.030 5.484 -3.235 1.00 4.22 C ATOM 44 NH1 ARG A 4 5.306 5.289 -3.541 1.00 13.42 N ATOM 45 NH2 ARG A 4 3.695 5.827 -1.998 1.00 15.12 N ATOM 0 H ARG A 4 2.096 2.540 -8.460 1.00 41.23 H new ATOM 0 HA ARG A 4 0.669 5.113 -8.796 1.00 64.11 H new ATOM 0 HB2 ARG A 4 3.575 4.672 -8.005 1.00 50.32 H new ATOM 0 HB3 ARG A 4 2.823 6.226 -8.305 1.00 50.32 H new ATOM 0 HG2 ARG A 4 1.852 6.302 -6.254 1.00 12.32 H new ATOM 0 HG3 ARG A 4 1.392 4.611 -6.293 1.00 12.32 H new ATOM 0 HD2 ARG A 4 3.581 3.894 -5.597 1.00 33.42 H new ATOM 0 HD3 ARG A 4 4.273 5.479 -5.884 1.00 33.42 H new ATOM 0 HE ARG A 4 2.119 5.494 -3.895 1.00 3.32 H new ATOM 0 HH11 ARG A 4 5.568 5.026 -4.491 1.00 13.42 H new ATOM 0 HH12 ARG A 4 6.025 5.403 -2.826 1.00 13.42 H new ATOM 0 HH21 ARG A 4 2.715 5.978 -1.758 1.00 15.12 H new ATOM 0 HH22 ARG A 4 4.417 5.939 -1.287 1.00 15.12 H new ATOM 59 N PHE A 5 1.532 5.391 -11.104 1.00 32.21 N ATOM 60 CA PHE A 5 1.917 5.469 -12.508 1.00 61.12 C ATOM 61 C PHE A 5 1.846 6.907 -13.012 1.00 43.34 C ATOM 62 O PHE A 5 1.105 7.730 -12.474 1.00 52.23 O ATOM 63 CB PHE A 5 1.013 4.574 -13.358 1.00 33.43 C ATOM 64 CG PHE A 5 1.584 3.207 -13.605 1.00 62.14 C ATOM 65 CD1 PHE A 5 1.478 2.213 -12.646 1.00 74.31 C ATOM 66 CD2 PHE A 5 2.227 2.916 -14.798 1.00 5.04 C ATOM 67 CE1 PHE A 5 2.003 0.955 -12.871 1.00 64.53 C ATOM 68 CE2 PHE A 5 2.755 1.659 -15.029 1.00 12.44 C ATOM 69 CZ PHE A 5 2.642 0.677 -14.064 1.00 54.14 C ATOM 0 H PHE A 5 0.807 6.054 -10.828 1.00 32.21 H new ATOM 0 HA PHE A 5 2.946 5.122 -12.596 1.00 61.12 H new ATOM 0 HB2 PHE A 5 0.047 4.472 -12.863 1.00 33.43 H new ATOM 0 HB3 PHE A 5 0.830 5.061 -14.316 1.00 33.43 H new ATOM 0 HD1 PHE A 5 0.979 2.424 -11.712 1.00 74.31 H new ATOM 0 HD2 PHE A 5 2.317 3.680 -15.556 1.00 5.04 H new ATOM 0 HE1 PHE A 5 1.914 0.189 -12.115 1.00 64.53 H new ATOM 0 HE2 PHE A 5 3.255 1.445 -15.962 1.00 12.44 H new ATOM 0 HZ PHE A 5 3.052 -0.306 -14.242 1.00 54.14 H new ATOM 79 N CYS A 6 2.623 7.204 -14.049 1.00 23.52 N ATOM 80 CA CYS A 6 2.651 8.542 -14.627 1.00 21.34 C ATOM 81 C CYS A 6 2.232 8.510 -16.094 1.00 24.43 C ATOM 82 O CYS A 6 2.613 7.607 -16.840 1.00 3.43 O ATOM 83 CB CYS A 6 4.050 9.147 -14.497 1.00 64.23 C ATOM 84 SG CYS A 6 4.556 9.490 -12.781 1.00 42.53 S ATOM 0 H CYS A 6 3.242 6.535 -14.506 1.00 23.52 H new ATOM 0 HA CYS A 6 1.942 9.163 -14.079 1.00 21.34 H new ATOM 0 HB2 CYS A 6 4.772 8.466 -14.948 1.00 64.23 H new ATOM 0 HB3 CYS A 6 4.087 10.075 -15.068 1.00 64.23 H new ATOM 89 N VAL A 7 1.446 9.501 -16.501 1.00 1.02 N ATOM 90 CA VAL A 7 0.976 9.588 -17.878 1.00 64.24 C ATOM 91 C VAL A 7 1.389 10.909 -18.518 1.00 24.24 C ATOM 92 O VAL A 7 1.520 11.926 -17.836 1.00 41.14 O ATOM 93 CB VAL A 7 -0.555 9.448 -17.959 1.00 34.11 C ATOM 94 CG1 VAL A 7 -1.007 9.349 -19.408 1.00 32.30 C ATOM 95 CG2 VAL A 7 -1.022 8.239 -17.162 1.00 72.03 C ATOM 0 H VAL A 7 1.121 10.255 -15.896 1.00 1.02 H new ATOM 0 HA VAL A 7 1.438 8.764 -18.422 1.00 64.24 H new ATOM 0 HB VAL A 7 -1.007 10.339 -17.523 1.00 34.11 H new ATOM 0 HG11 VAL A 7 -2.092 9.251 -19.445 1.00 32.30 H new ATOM 0 HG12 VAL A 7 -0.706 10.248 -19.945 1.00 32.30 H new ATOM 0 HG13 VAL A 7 -0.548 8.477 -19.874 1.00 32.30 H new ATOM 0 HG21 VAL A 7 -2.107 8.155 -17.230 1.00 72.03 H new ATOM 0 HG22 VAL A 7 -0.562 7.337 -17.566 1.00 72.03 H new ATOM 0 HG23 VAL A 7 -0.732 8.357 -16.118 1.00 72.03 H new ATOM 105 N TYR A 8 1.593 10.886 -19.830 1.00 2.30 N ATOM 106 CA TYR A 8 1.993 12.082 -20.562 1.00 5.00 C ATOM 107 C TYR A 8 1.012 12.384 -21.690 1.00 40.22 C ATOM 108 O TYR A 8 0.638 11.497 -22.458 1.00 23.13 O ATOM 109 CB TYR A 8 3.403 11.910 -21.130 1.00 23.22 C ATOM 110 CG TYR A 8 4.296 13.110 -20.909 1.00 11.11 C ATOM 111 CD1 TYR A 8 4.478 13.640 -19.637 1.00 50.24 C ATOM 112 CD2 TYR A 8 4.956 13.715 -21.971 1.00 62.32 C ATOM 113 CE1 TYR A 8 5.292 14.737 -19.431 1.00 10.14 C ATOM 114 CE2 TYR A 8 5.773 14.811 -21.774 1.00 22.13 C ATOM 115 CZ TYR A 8 5.938 15.319 -20.502 1.00 33.52 C ATOM 116 OH TYR A 8 6.750 16.411 -20.301 1.00 54.31 O ATOM 0 H TYR A 8 1.488 10.053 -20.409 1.00 2.30 H new ATOM 0 HA TYR A 8 1.988 12.921 -19.866 1.00 5.00 H new ATOM 0 HB2 TYR A 8 3.865 11.035 -20.673 1.00 23.22 H new ATOM 0 HB3 TYR A 8 3.333 11.712 -22.200 1.00 23.22 H new ATOM 0 HD1 TYR A 8 3.975 13.187 -18.796 1.00 50.24 H new ATOM 0 HD2 TYR A 8 4.828 13.321 -22.969 1.00 62.32 H new ATOM 0 HE1 TYR A 8 5.422 15.137 -18.436 1.00 10.14 H new ATOM 0 HE2 TYR A 8 6.280 15.268 -22.611 1.00 22.13 H new ATOM 0 HH TYR A 8 7.130 16.698 -21.158 1.00 54.31 H new ATOM 126 N TYR A 9 0.599 13.643 -21.785 1.00 1.24 N ATOM 127 CA TYR A 9 -0.340 14.064 -22.817 1.00 53.03 C ATOM 128 C TYR A 9 0.234 15.213 -23.641 1.00 20.13 C ATOM 129 O TYR A 9 1.354 15.665 -23.400 1.00 71.55 O ATOM 130 CB TYR A 9 -1.668 14.488 -22.187 1.00 21.33 C ATOM 131 CG TYR A 9 -2.383 13.365 -21.469 1.00 41.13 C ATOM 132 CD1 TYR A 9 -2.127 13.096 -20.130 1.00 55.41 C ATOM 133 CD2 TYR A 9 -3.313 12.573 -22.130 1.00 60.44 C ATOM 134 CE1 TYR A 9 -2.778 12.071 -19.471 1.00 2.45 C ATOM 135 CE2 TYR A 9 -3.969 11.547 -21.479 1.00 31.55 C ATOM 136 CZ TYR A 9 -3.698 11.300 -20.149 1.00 20.31 C ATOM 137 OH TYR A 9 -4.348 10.278 -19.496 1.00 74.43 O ATOM 0 H TYR A 9 0.900 14.390 -21.159 1.00 1.24 H new ATOM 0 HA TYR A 9 -0.514 13.217 -23.480 1.00 53.03 H new ATOM 0 HB2 TYR A 9 -1.484 15.299 -21.483 1.00 21.33 H new ATOM 0 HB3 TYR A 9 -2.320 14.884 -22.966 1.00 21.33 H new ATOM 0 HD1 TYR A 9 -1.407 13.698 -19.596 1.00 55.41 H new ATOM 0 HD2 TYR A 9 -3.527 12.763 -23.171 1.00 60.44 H new ATOM 0 HE1 TYR A 9 -2.567 11.875 -18.430 1.00 2.45 H new ATOM 0 HE2 TYR A 9 -4.690 10.941 -22.008 1.00 31.55 H new ATOM 0 HH TYR A 9 -5.237 10.152 -19.889 1.00 74.43 H new ATOM 147 N ASP A 10 -0.542 15.681 -24.612 1.00 43.11 N ATOM 148 CA ASP A 10 -0.113 16.779 -25.471 1.00 63.32 C ATOM 149 C ASP A 10 -1.100 17.940 -25.403 1.00 24.11 C ATOM 150 O ASP A 10 -2.284 17.746 -25.134 1.00 74.04 O ATOM 151 CB ASP A 10 0.029 16.298 -26.916 1.00 61.03 C ATOM 152 CG ASP A 10 1.426 16.514 -27.464 1.00 3.02 C ATOM 153 OD1 ASP A 10 2.395 16.392 -26.684 1.00 53.54 O ATOM 154 OD2 ASP A 10 1.551 16.804 -28.672 1.00 23.32 O ATOM 0 H ASP A 10 -1.471 15.318 -24.824 1.00 43.11 H new ATOM 0 HA ASP A 10 0.856 17.129 -25.115 1.00 63.32 H new ATOM 0 HB2 ASP A 10 -0.219 15.238 -26.969 1.00 61.03 H new ATOM 0 HB3 ASP A 10 -0.690 16.825 -27.544 1.00 61.03 H new ATOM 159 N GLY A 11 -0.602 19.148 -25.647 1.00 3.51 N ATOM 160 CA GLY A 11 -1.453 20.323 -25.607 1.00 3.31 C ATOM 161 C GLY A 11 -2.693 20.170 -26.464 1.00 52.14 C ATOM 162 O GLY A 11 -2.628 20.282 -27.689 1.00 61.41 O ATOM 0 H GLY A 11 0.375 19.334 -25.872 1.00 3.51 H new ATOM 0 HA2 GLY A 11 -1.749 20.518 -24.576 1.00 3.31 H new ATOM 0 HA3 GLY A 11 -0.886 21.190 -25.945 1.00 3.31 H new ATOM 166 N HIS A 12 -3.827 19.912 -25.821 1.00 14.11 N ATOM 167 CA HIS A 12 -5.089 19.742 -26.533 1.00 62.03 C ATOM 168 C HIS A 12 -6.258 19.660 -25.556 1.00 42.32 C ATOM 169 O HIS A 12 -6.227 18.886 -24.599 1.00 34.21 O ATOM 170 CB HIS A 12 -5.044 18.483 -27.399 1.00 61.24 C ATOM 171 CG HIS A 12 -4.807 18.763 -28.851 1.00 61.35 C ATOM 172 ND1 HIS A 12 -5.708 19.443 -29.644 1.00 23.24 N ATOM 173 CD2 HIS A 12 -3.762 18.452 -29.654 1.00 73.31 C ATOM 174 CE1 HIS A 12 -5.228 19.536 -30.871 1.00 52.40 C ATOM 175 NE2 HIS A 12 -4.048 18.943 -30.904 1.00 15.31 N ATOM 0 H HIS A 12 -3.898 19.816 -24.808 1.00 14.11 H new ATOM 0 HA HIS A 12 -5.235 20.611 -27.175 1.00 62.03 H new ATOM 0 HB2 HIS A 12 -4.256 17.827 -27.031 1.00 61.24 H new ATOM 0 HB3 HIS A 12 -5.985 17.943 -27.290 1.00 61.24 H new ATOM 0 HD2 HIS A 12 -2.869 17.917 -29.365 1.00 73.31 H new ATOM 0 HE1 HIS A 12 -5.717 20.016 -31.706 1.00 52.40 H new ATOM 0 HE2 HIS A 12 -3.447 18.863 -31.724 1.00 15.31 H new ATOM 183 N LEU A 13 -7.286 20.464 -25.803 1.00 51.13 N ATOM 184 CA LEU A 13 -8.466 20.483 -24.945 1.00 5.51 C ATOM 185 C LEU A 13 -8.999 19.072 -24.721 1.00 55.33 C ATOM 186 O LEU A 13 -8.701 18.143 -25.471 1.00 63.14 O ATOM 187 CB LEU A 13 -9.555 21.362 -25.562 1.00 74.52 C ATOM 188 CG LEU A 13 -9.726 22.751 -24.947 1.00 75.10 C ATOM 189 CD1 LEU A 13 -8.406 23.505 -24.956 1.00 23.12 C ATOM 190 CD2 LEU A 13 -10.796 23.536 -25.692 1.00 41.23 C ATOM 0 H LEU A 13 -7.327 21.111 -26.590 1.00 51.13 H new ATOM 0 HA LEU A 13 -8.177 20.899 -23.980 1.00 5.51 H new ATOM 0 HB2 LEU A 13 -9.339 21.481 -26.624 1.00 74.52 H new ATOM 0 HB3 LEU A 13 -10.506 20.834 -25.487 1.00 74.52 H new ATOM 0 HG LEU A 13 -10.046 22.632 -23.912 1.00 75.10 H new ATOM 0 HD11 LEU A 13 -8.547 24.491 -24.514 1.00 23.12 H new ATOM 0 HD12 LEU A 13 -7.667 22.951 -24.378 1.00 23.12 H new ATOM 0 HD13 LEU A 13 -8.056 23.614 -25.983 1.00 23.12 H new ATOM 0 HD21 LEU A 13 -10.904 24.522 -25.241 1.00 41.23 H new ATOM 0 HD22 LEU A 13 -10.506 23.645 -26.737 1.00 41.23 H new ATOM 0 HD23 LEU A 13 -11.745 23.004 -25.633 1.00 41.23 H new ATOM 202 N PRO A 14 -9.811 18.907 -23.666 1.00 23.40 N ATOM 203 CA PRO A 14 -10.406 17.612 -23.321 1.00 0.23 C ATOM 204 C PRO A 14 -11.464 17.174 -24.327 1.00 73.11 C ATOM 205 O PRO A 14 -11.950 16.044 -24.279 1.00 13.44 O ATOM 206 CB PRO A 14 -11.043 17.868 -21.952 1.00 43.45 C ATOM 207 CG PRO A 14 -11.312 19.333 -21.928 1.00 43.51 C ATOM 208 CD PRO A 14 -10.210 19.970 -22.729 1.00 43.20 C ATOM 0 HA PRO A 14 -9.667 16.811 -23.320 1.00 0.23 H new ATOM 0 HB2 PRO A 14 -11.962 17.295 -21.829 1.00 43.45 H new ATOM 0 HB3 PRO A 14 -10.374 17.575 -21.143 1.00 43.45 H new ATOM 0 HG2 PRO A 14 -12.288 19.558 -22.359 1.00 43.51 H new ATOM 0 HG3 PRO A 14 -11.320 19.711 -20.906 1.00 43.51 H new ATOM 0 HD2 PRO A 14 -10.558 20.859 -23.255 1.00 43.20 H new ATOM 0 HD3 PRO A 14 -9.379 20.279 -22.095 1.00 43.20 H new ATOM 216 N ALA A 15 -11.817 18.075 -25.239 1.00 25.34 N ATOM 217 CA ALA A 15 -12.816 17.779 -26.258 1.00 45.51 C ATOM 218 C ALA A 15 -12.259 16.830 -27.313 1.00 61.25 C ATOM 219 O ALA A 15 -12.966 15.952 -27.809 1.00 70.04 O ATOM 220 CB ALA A 15 -13.303 19.066 -26.908 1.00 0.14 C ATOM 0 H ALA A 15 -11.426 19.015 -25.292 1.00 25.34 H new ATOM 0 HA ALA A 15 -13.659 17.287 -25.773 1.00 45.51 H new ATOM 0 HB1 ALA A 15 -14.049 18.831 -27.667 1.00 0.14 H new ATOM 0 HB2 ALA A 15 -13.748 19.711 -26.150 1.00 0.14 H new ATOM 0 HB3 ALA A 15 -12.462 19.580 -27.373 1.00 0.14 H new ATOM 226 N THR A 16 -10.987 17.011 -27.654 1.00 44.22 N ATOM 227 CA THR A 16 -10.336 16.172 -28.652 1.00 64.11 C ATOM 228 C THR A 16 -8.921 15.803 -28.221 1.00 62.54 C ATOM 229 O THR A 16 -8.052 15.555 -29.058 1.00 2.32 O ATOM 230 CB THR A 16 -10.276 16.872 -30.023 1.00 14.22 C ATOM 231 OG1 THR A 16 -11.264 17.907 -30.087 1.00 44.42 O ATOM 232 CG2 THR A 16 -10.505 15.876 -31.150 1.00 4.13 C ATOM 0 H THR A 16 -10.387 17.732 -27.253 1.00 44.22 H new ATOM 0 HA THR A 16 -10.935 15.265 -28.741 1.00 64.11 H new ATOM 0 HB THR A 16 -9.284 17.308 -30.141 1.00 14.22 H new ATOM 0 HG1 THR A 16 -11.219 18.349 -30.961 1.00 44.42 H new ATOM 0 HG21 THR A 16 -10.458 16.394 -32.108 1.00 4.13 H new ATOM 0 HG22 THR A 16 -9.735 15.105 -31.116 1.00 4.13 H new ATOM 0 HG23 THR A 16 -11.486 15.415 -31.034 1.00 4.13 H new ATOM 240 N ARG A 17 -8.696 15.766 -26.912 1.00 53.10 N ATOM 241 CA ARG A 17 -7.386 15.427 -26.371 1.00 22.14 C ATOM 242 C ARG A 17 -6.874 14.118 -26.965 1.00 40.34 C ATOM 243 O ARG A 17 -7.643 13.335 -27.522 1.00 62.45 O ATOM 244 CB ARG A 17 -7.454 15.315 -24.846 1.00 64.24 C ATOM 245 CG ARG A 17 -8.198 14.083 -24.359 1.00 34.11 C ATOM 246 CD ARG A 17 -8.859 14.328 -23.012 1.00 14.54 C ATOM 247 NE ARG A 17 -9.067 13.088 -22.269 1.00 64.13 N ATOM 248 CZ ARG A 17 -9.673 13.030 -21.089 1.00 12.31 C ATOM 249 NH1 ARG A 17 -10.130 14.137 -20.520 1.00 52.30 N ATOM 250 NH2 ARG A 17 -9.824 11.863 -20.475 1.00 51.54 N ATOM 0 H ARG A 17 -9.405 15.967 -26.206 1.00 53.10 H new ATOM 0 HA ARG A 17 -6.693 16.224 -26.640 1.00 22.14 H new ATOM 0 HB2 ARG A 17 -6.440 15.299 -24.446 1.00 64.24 H new ATOM 0 HB3 ARG A 17 -7.940 16.205 -24.446 1.00 64.24 H new ATOM 0 HG2 ARG A 17 -8.955 13.801 -25.091 1.00 34.11 H new ATOM 0 HG3 ARG A 17 -7.504 13.246 -24.278 1.00 34.11 H new ATOM 0 HD2 ARG A 17 -8.240 15.004 -22.422 1.00 14.54 H new ATOM 0 HD3 ARG A 17 -9.817 14.824 -23.164 1.00 14.54 H new ATOM 0 HE ARG A 17 -8.728 12.218 -22.679 1.00 64.13 H new ATOM 0 HH11 ARG A 17 -10.016 15.036 -20.989 1.00 52.30 H new ATOM 0 HH12 ARG A 17 -10.595 14.090 -19.613 1.00 52.30 H new ATOM 0 HH21 ARG A 17 -9.474 11.009 -20.910 1.00 51.54 H new ATOM 0 HH22 ARG A 17 -10.290 11.820 -19.569 1.00 51.54 H new ATOM 264 N VAL A 18 -5.570 13.889 -26.844 1.00 33.34 N ATOM 265 CA VAL A 18 -4.955 12.675 -27.368 1.00 54.32 C ATOM 266 C VAL A 18 -3.830 12.193 -26.460 1.00 71.41 C ATOM 267 O VAL A 18 -2.824 12.880 -26.281 1.00 63.10 O ATOM 268 CB VAL A 18 -4.397 12.897 -28.786 1.00 45.32 C ATOM 269 CG1 VAL A 18 -3.803 11.608 -29.334 1.00 52.43 C ATOM 270 CG2 VAL A 18 -5.483 13.429 -29.709 1.00 64.33 C ATOM 0 H VAL A 18 -4.919 14.528 -26.388 1.00 33.34 H new ATOM 0 HA VAL A 18 -5.736 11.915 -27.407 1.00 54.32 H new ATOM 0 HB VAL A 18 -3.602 13.641 -28.733 1.00 45.32 H new ATOM 0 HG11 VAL A 18 -3.414 11.784 -30.337 1.00 52.43 H new ATOM 0 HG12 VAL A 18 -2.994 11.275 -28.684 1.00 52.43 H new ATOM 0 HG13 VAL A 18 -4.575 10.840 -29.374 1.00 52.43 H new ATOM 0 HG21 VAL A 18 -5.071 13.580 -30.707 1.00 64.33 H new ATOM 0 HG22 VAL A 18 -6.302 12.711 -29.759 1.00 64.33 H new ATOM 0 HG23 VAL A 18 -5.856 14.378 -29.323 1.00 64.33 H new ATOM 280 N LEU A 19 -4.006 11.006 -25.889 1.00 11.31 N ATOM 281 CA LEU A 19 -3.005 10.430 -24.998 1.00 64.35 C ATOM 282 C LEU A 19 -1.747 10.043 -25.771 1.00 12.33 C ATOM 283 O LEU A 19 -1.825 9.465 -26.856 1.00 0.24 O ATOM 284 CB LEU A 19 -3.575 9.203 -24.284 1.00 2.44 C ATOM 285 CG LEU A 19 -2.678 8.570 -23.219 1.00 71.55 C ATOM 286 CD1 LEU A 19 -3.502 8.137 -22.016 1.00 65.13 C ATOM 287 CD2 LEU A 19 -1.916 7.387 -23.800 1.00 31.04 C ATOM 0 H LEU A 19 -4.832 10.424 -26.027 1.00 11.31 H new ATOM 0 HA LEU A 19 -2.738 11.183 -24.257 1.00 64.35 H new ATOM 0 HB2 LEU A 19 -4.518 9.485 -23.816 1.00 2.44 H new ATOM 0 HB3 LEU A 19 -3.806 8.446 -25.033 1.00 2.44 H new ATOM 0 HG LEU A 19 -1.955 9.316 -22.888 1.00 71.55 H new ATOM 0 HD11 LEU A 19 -2.847 7.689 -21.269 1.00 65.13 H new ATOM 0 HD12 LEU A 19 -4.002 9.005 -21.586 1.00 65.13 H new ATOM 0 HD13 LEU A 19 -4.248 7.407 -22.330 1.00 65.13 H new ATOM 0 HD21 LEU A 19 -1.283 6.948 -23.029 1.00 31.04 H new ATOM 0 HD22 LEU A 19 -2.623 6.639 -24.158 1.00 31.04 H new ATOM 0 HD23 LEU A 19 -1.296 7.726 -24.630 1.00 31.04 H new ATOM 299 N LEU A 20 -0.589 10.364 -25.204 1.00 54.31 N ATOM 300 CA LEU A 20 0.686 10.049 -25.838 1.00 21.10 C ATOM 301 C LEU A 20 1.096 8.608 -25.549 1.00 41.43 C ATOM 302 O LEU A 20 1.176 7.782 -26.457 1.00 71.34 O ATOM 303 CB LEU A 20 1.772 11.008 -25.348 1.00 43.25 C ATOM 304 CG LEU A 20 1.517 12.495 -25.597 1.00 54.13 C ATOM 305 CD1 LEU A 20 2.455 13.346 -24.757 1.00 4.34 C ATOM 306 CD2 LEU A 20 1.675 12.823 -27.075 1.00 11.52 C ATOM 0 H LEU A 20 -0.507 10.842 -24.307 1.00 54.31 H new ATOM 0 HA LEU A 20 0.567 10.165 -26.915 1.00 21.10 H new ATOM 0 HB2 LEU A 20 1.905 10.857 -24.277 1.00 43.25 H new ATOM 0 HB3 LEU A 20 2.712 10.736 -25.828 1.00 43.25 H new ATOM 0 HG LEU A 20 0.493 12.722 -25.302 1.00 54.13 H new ATOM 0 HD11 LEU A 20 2.258 14.401 -24.948 1.00 4.34 H new ATOM 0 HD12 LEU A 20 2.293 13.132 -23.701 1.00 4.34 H new ATOM 0 HD13 LEU A 20 3.488 13.116 -25.019 1.00 4.34 H new ATOM 0 HD21 LEU A 20 1.490 13.885 -27.234 1.00 11.52 H new ATOM 0 HD22 LEU A 20 2.688 12.579 -27.396 1.00 11.52 H new ATOM 0 HD23 LEU A 20 0.960 12.240 -27.656 1.00 11.52 H new ATOM 318 N MET A 21 1.353 8.315 -24.279 1.00 31.02 N ATOM 319 CA MET A 21 1.751 6.973 -23.870 1.00 62.12 C ATOM 320 C MET A 21 1.964 6.905 -22.361 1.00 70.43 C ATOM 321 O MET A 21 2.257 7.914 -21.720 1.00 22.11 O ATOM 322 CB MET A 21 3.031 6.554 -24.597 1.00 13.11 C ATOM 323 CG MET A 21 2.873 5.290 -25.426 1.00 55.13 C ATOM 324 SD MET A 21 4.452 4.622 -25.982 1.00 63.12 S ATOM 325 CE MET A 21 4.159 4.480 -27.743 1.00 41.35 C ATOM 0 H MET A 21 1.293 8.988 -23.515 1.00 31.02 H new ATOM 0 HA MET A 21 0.948 6.286 -24.137 1.00 62.12 H new ATOM 0 HB2 MET A 21 3.352 7.367 -25.247 1.00 13.11 H new ATOM 0 HB3 MET A 21 3.822 6.401 -23.863 1.00 13.11 H new ATOM 0 HG2 MET A 21 2.352 4.536 -24.836 1.00 55.13 H new ATOM 0 HG3 MET A 21 2.248 5.505 -26.293 1.00 55.13 H new ATOM 0 HE1 MET A 21 5.049 4.079 -28.229 1.00 41.35 H new ATOM 0 HE2 MET A 21 3.317 3.811 -27.919 1.00 41.35 H new ATOM 0 HE3 MET A 21 3.933 5.464 -28.155 1.00 41.35 H new ATOM 335 N TYR A 22 1.814 5.710 -21.801 1.00 23.32 N ATOM 336 CA TYR A 22 1.987 5.511 -20.367 1.00 4.02 C ATOM 337 C TYR A 22 3.453 5.262 -20.024 1.00 61.44 C ATOM 338 O TYR A 22 4.141 4.500 -20.704 1.00 73.41 O ATOM 339 CB TYR A 22 1.133 4.337 -19.886 1.00 70.25 C ATOM 340 CG TYR A 22 -0.354 4.598 -19.966 1.00 72.42 C ATOM 341 CD1 TYR A 22 -1.021 4.560 -21.185 1.00 14.35 C ATOM 342 CD2 TYR A 22 -1.092 4.882 -18.824 1.00 10.21 C ATOM 343 CE1 TYR A 22 -2.380 4.799 -21.262 1.00 70.45 C ATOM 344 CE2 TYR A 22 -2.451 5.120 -18.892 1.00 40.32 C ATOM 345 CZ TYR A 22 -3.090 5.078 -20.114 1.00 34.34 C ATOM 346 OH TYR A 22 -4.444 5.316 -20.186 1.00 22.30 O ATOM 0 H TYR A 22 1.573 4.864 -22.318 1.00 23.32 H new ATOM 0 HA TYR A 22 1.663 6.419 -19.859 1.00 4.02 H new ATOM 0 HB2 TYR A 22 1.372 3.456 -20.483 1.00 70.25 H new ATOM 0 HB3 TYR A 22 1.398 4.104 -18.855 1.00 70.25 H new ATOM 0 HD1 TYR A 22 -0.468 4.340 -22.086 1.00 14.35 H new ATOM 0 HD2 TYR A 22 -0.595 4.917 -17.866 1.00 10.21 H new ATOM 0 HE1 TYR A 22 -2.883 4.767 -22.217 1.00 70.45 H new ATOM 0 HE2 TYR A 22 -3.010 5.338 -17.994 1.00 40.32 H new ATOM 0 HH TYR A 22 -4.793 5.495 -19.288 1.00 22.30 H new ATOM 356 N VAL A 23 3.925 5.910 -18.964 1.00 71.20 N ATOM 357 CA VAL A 23 5.308 5.758 -18.528 1.00 40.24 C ATOM 358 C VAL A 23 5.383 5.098 -17.156 1.00 51.13 C ATOM 359 O VAL A 23 5.028 5.703 -16.145 1.00 13.42 O ATOM 360 CB VAL A 23 6.031 7.117 -18.472 1.00 51.13 C ATOM 361 CG1 VAL A 23 7.480 6.934 -18.047 1.00 13.32 C ATOM 362 CG2 VAL A 23 5.947 7.821 -19.818 1.00 73.13 C ATOM 0 H VAL A 23 3.370 6.546 -18.391 1.00 71.20 H new ATOM 0 HA VAL A 23 5.803 5.121 -19.261 1.00 40.24 H new ATOM 0 HB VAL A 23 5.535 7.742 -17.729 1.00 51.13 H new ATOM 0 HG11 VAL A 23 7.975 7.905 -18.013 1.00 13.32 H new ATOM 0 HG12 VAL A 23 7.514 6.475 -17.059 1.00 13.32 H new ATOM 0 HG13 VAL A 23 7.991 6.291 -18.764 1.00 13.32 H new ATOM 0 HG21 VAL A 23 6.463 8.779 -19.760 1.00 73.13 H new ATOM 0 HG22 VAL A 23 6.416 7.202 -20.582 1.00 73.13 H new ATOM 0 HG23 VAL A 23 4.901 7.987 -20.077 1.00 73.13 H new ATOM 372 N ARG A 24 5.848 3.853 -17.129 1.00 53.41 N ATOM 373 CA ARG A 24 5.969 3.110 -15.881 1.00 12.13 C ATOM 374 C ARG A 24 7.072 3.695 -15.004 1.00 42.43 C ATOM 375 O ARG A 24 8.156 4.021 -15.489 1.00 64.30 O ATOM 376 CB ARG A 24 6.258 1.635 -16.166 1.00 41.35 C ATOM 377 CG ARG A 24 6.104 0.738 -14.950 1.00 21.43 C ATOM 378 CD ARG A 24 6.027 -0.729 -15.345 1.00 53.34 C ATOM 379 NE ARG A 24 7.032 -1.535 -14.659 1.00 3.24 N ATOM 380 CZ ARG A 24 8.315 -1.560 -15.003 1.00 50.32 C ATOM 381 NH1 ARG A 24 8.746 -0.827 -16.020 1.00 51.34 N ATOM 382 NH2 ARG A 24 9.170 -2.319 -14.329 1.00 54.23 N ATOM 0 H ARG A 24 6.147 3.338 -17.957 1.00 53.41 H new ATOM 0 HA ARG A 24 5.022 3.191 -15.347 1.00 12.13 H new ATOM 0 HB2 ARG A 24 5.586 1.287 -16.951 1.00 41.35 H new ATOM 0 HB3 ARG A 24 7.274 1.540 -16.550 1.00 41.35 H new ATOM 0 HG2 ARG A 24 6.946 0.890 -14.275 1.00 21.43 H new ATOM 0 HG3 ARG A 24 5.203 1.016 -14.403 1.00 21.43 H new ATOM 0 HD2 ARG A 24 5.034 -1.115 -15.114 1.00 53.34 H new ATOM 0 HD3 ARG A 24 6.162 -0.822 -16.423 1.00 53.34 H new ATOM 0 HE ARG A 24 6.733 -2.111 -13.872 1.00 3.24 H new ATOM 0 HH11 ARG A 24 8.092 -0.242 -16.540 1.00 51.34 H new ATOM 0 HH12 ARG A 24 9.732 -0.848 -16.282 1.00 51.34 H new ATOM 0 HH21 ARG A 24 8.842 -2.884 -13.546 1.00 54.23 H new ATOM 0 HH22 ARG A 24 10.155 -2.337 -14.594 1.00 54.23 H new ATOM 396 N ILE A 25 6.788 3.827 -13.713 1.00 72.20 N ATOM 397 CA ILE A 25 7.756 4.372 -12.770 1.00 11.23 C ATOM 398 C ILE A 25 8.777 3.317 -12.358 1.00 34.14 C ATOM 399 O ILE A 25 8.926 3.011 -11.175 1.00 43.24 O ATOM 400 CB ILE A 25 7.065 4.922 -11.508 1.00 74.10 C ATOM 401 CG1 ILE A 25 5.863 5.787 -11.894 1.00 42.22 C ATOM 402 CG2 ILE A 25 8.051 5.720 -10.669 1.00 20.14 C ATOM 403 CD1 ILE A 25 5.111 6.342 -10.705 1.00 2.31 C ATOM 0 H ILE A 25 5.895 3.564 -13.296 1.00 72.20 H new ATOM 0 HA ILE A 25 8.267 5.189 -13.280 1.00 11.23 H new ATOM 0 HB ILE A 25 6.708 4.082 -10.912 1.00 74.10 H new ATOM 0 HG12 ILE A 25 6.206 6.614 -12.515 1.00 42.22 H new ATOM 0 HG13 ILE A 25 5.179 5.194 -12.502 1.00 42.22 H new ATOM 0 HG21 ILE A 25 7.547 6.102 -9.781 1.00 20.14 H new ATOM 0 HG22 ILE A 25 8.878 5.076 -10.369 1.00 20.14 H new ATOM 0 HG23 ILE A 25 8.435 6.555 -11.255 1.00 20.14 H new ATOM 0 HD11 ILE A 25 4.272 6.945 -11.054 1.00 2.31 H new ATOM 0 HD12 ILE A 25 4.738 5.520 -10.094 1.00 2.31 H new ATOM 0 HD13 ILE A 25 5.780 6.962 -10.108 1.00 2.31 H new ATOM 415 N GLY A 26 9.479 2.764 -13.342 1.00 73.02 N ATOM 416 CA GLY A 26 10.478 1.750 -13.062 1.00 21.22 C ATOM 417 C GLY A 26 11.825 2.078 -13.676 1.00 32.54 C ATOM 418 O GLY A 26 12.870 1.754 -13.110 1.00 34.42 O ATOM 0 H GLY A 26 9.373 3.000 -14.329 1.00 73.02 H new ATOM 0 HA2 GLY A 26 10.590 1.643 -11.983 1.00 21.22 H new ATOM 0 HA3 GLY A 26 10.133 0.789 -13.443 1.00 21.22 H new ATOM 422 N THR A 27 11.803 2.721 -14.839 1.00 15.23 N ATOM 423 CA THR A 27 13.030 3.090 -15.532 1.00 4.44 C ATOM 424 C THR A 27 12.850 4.384 -16.318 1.00 25.12 C ATOM 425 O THR A 27 11.745 4.918 -16.410 1.00 52.43 O ATOM 426 CB THR A 27 13.489 1.978 -16.493 1.00 71.14 C ATOM 427 OG1 THR A 27 14.797 2.273 -16.995 1.00 24.52 O ATOM 428 CG2 THR A 27 12.517 1.831 -17.654 1.00 54.41 C ATOM 0 H THR A 27 10.947 2.997 -15.321 1.00 15.23 H new ATOM 0 HA THR A 27 13.793 3.236 -14.767 1.00 4.44 H new ATOM 0 HB THR A 27 13.515 1.039 -15.940 1.00 71.14 H new ATOM 0 HG1 THR A 27 15.082 1.560 -17.604 1.00 24.52 H new ATOM 0 HG21 THR A 27 12.862 1.040 -18.319 1.00 54.41 H new ATOM 0 HG22 THR A 27 11.528 1.578 -17.271 1.00 54.41 H new ATOM 0 HG23 THR A 27 12.463 2.770 -18.205 1.00 54.41 H new ATOM 436 N THR A 28 13.944 4.884 -16.885 1.00 23.35 N ATOM 437 CA THR A 28 13.907 6.115 -17.663 1.00 2.32 C ATOM 438 C THR A 28 13.794 5.820 -19.154 1.00 41.11 C ATOM 439 O THR A 28 14.611 5.091 -19.716 1.00 2.41 O ATOM 440 CB THR A 28 15.161 6.975 -17.415 1.00 24.41 C ATOM 441 OG1 THR A 28 16.341 6.186 -17.608 1.00 2.33 O ATOM 442 CG2 THR A 28 15.154 7.549 -16.006 1.00 51.24 C ATOM 0 H THR A 28 14.867 4.454 -16.819 1.00 23.35 H new ATOM 0 HA THR A 28 13.026 6.668 -17.337 1.00 2.32 H new ATOM 0 HB THR A 28 15.155 7.801 -18.126 1.00 24.41 H new ATOM 0 HG1 THR A 28 16.182 5.527 -18.316 1.00 2.33 H new ATOM 0 HG21 THR A 28 16.049 8.152 -15.854 1.00 51.24 H new ATOM 0 HG22 THR A 28 14.270 8.172 -15.871 1.00 51.24 H new ATOM 0 HG23 THR A 28 15.138 6.735 -15.281 1.00 51.24 H new ATOM 450 N ALA A 29 12.776 6.391 -19.790 1.00 45.31 N ATOM 451 CA ALA A 29 12.559 6.191 -21.217 1.00 55.23 C ATOM 452 C ALA A 29 12.297 7.517 -21.924 1.00 21.10 C ATOM 453 O ALA A 29 12.187 8.563 -21.284 1.00 1.23 O ATOM 454 CB ALA A 29 11.399 5.232 -21.445 1.00 5.11 C ATOM 0 H ALA A 29 12.089 6.995 -19.339 1.00 45.31 H new ATOM 0 HA ALA A 29 13.465 5.756 -21.639 1.00 55.23 H new ATOM 0 HB1 ALA A 29 11.248 5.092 -22.515 1.00 5.11 H new ATOM 0 HB2 ALA A 29 11.624 4.272 -20.981 1.00 5.11 H new ATOM 0 HB3 ALA A 29 10.493 5.645 -21.002 1.00 5.11 H new ATOM 460 N THR A 30 12.199 7.467 -23.249 1.00 21.01 N ATOM 461 CA THR A 30 11.953 8.664 -24.043 1.00 14.02 C ATOM 462 C THR A 30 10.614 8.578 -24.767 1.00 32.25 C ATOM 463 O THR A 30 10.182 7.496 -25.166 1.00 22.22 O ATOM 464 CB THR A 30 13.070 8.891 -25.079 1.00 33.02 C ATOM 465 OG1 THR A 30 14.348 8.651 -24.481 1.00 24.41 O ATOM 466 CG2 THR A 30 13.019 10.309 -25.627 1.00 41.03 C ATOM 0 H THR A 30 12.286 6.610 -23.795 1.00 21.01 H new ATOM 0 HA THR A 30 11.935 9.505 -23.349 1.00 14.02 H new ATOM 0 HB THR A 30 12.918 8.194 -25.903 1.00 33.02 H new ATOM 0 HG1 THR A 30 15.053 8.796 -25.146 1.00 24.41 H new ATOM 0 HG21 THR A 30 13.817 10.446 -26.357 1.00 41.03 H new ATOM 0 HG22 THR A 30 12.055 10.479 -26.107 1.00 41.03 H new ATOM 0 HG23 THR A 30 13.148 11.019 -24.810 1.00 41.03 H new ATOM 474 N ILE A 31 9.962 9.723 -24.933 1.00 15.41 N ATOM 475 CA ILE A 31 8.672 9.776 -25.611 1.00 2.33 C ATOM 476 C ILE A 31 8.735 10.672 -26.843 1.00 3.51 C ATOM 477 O ILE A 31 9.158 11.827 -26.765 1.00 32.34 O ATOM 478 CB ILE A 31 7.564 10.290 -24.673 1.00 33.52 C ATOM 479 CG1 ILE A 31 7.452 9.391 -23.440 1.00 22.43 C ATOM 480 CG2 ILE A 31 6.234 10.354 -25.410 1.00 3.33 C ATOM 481 CD1 ILE A 31 6.678 10.019 -22.302 1.00 73.42 C ATOM 0 H ILE A 31 10.305 10.627 -24.608 1.00 15.41 H new ATOM 0 HA ILE A 31 8.434 8.757 -25.917 1.00 2.33 H new ATOM 0 HB ILE A 31 7.824 11.296 -24.344 1.00 33.52 H new ATOM 0 HG12 ILE A 31 6.969 8.456 -23.725 1.00 22.43 H new ATOM 0 HG13 ILE A 31 8.454 9.139 -23.092 1.00 22.43 H new ATOM 0 HG21 ILE A 31 5.461 10.719 -24.734 1.00 3.33 H new ATOM 0 HG22 ILE A 31 6.321 11.030 -26.260 1.00 3.33 H new ATOM 0 HG23 ILE A 31 5.966 9.359 -25.764 1.00 3.33 H new ATOM 0 HD11 ILE A 31 6.639 9.325 -21.462 1.00 73.42 H new ATOM 0 HD12 ILE A 31 7.172 10.939 -21.990 1.00 73.42 H new ATOM 0 HD13 ILE A 31 5.664 10.246 -22.633 1.00 73.42 H new ATOM 493 N THR A 32 8.311 10.134 -27.982 1.00 15.21 N ATOM 494 CA THR A 32 8.318 10.885 -29.231 1.00 72.43 C ATOM 495 C THR A 32 6.945 11.480 -29.523 1.00 61.22 C ATOM 496 O THR A 32 5.942 10.768 -29.546 1.00 35.04 O ATOM 497 CB THR A 32 8.743 9.998 -30.417 1.00 32.32 C ATOM 498 OG1 THR A 32 8.295 8.654 -30.208 1.00 63.42 O ATOM 499 CG2 THR A 32 10.254 10.013 -30.590 1.00 1.31 C ATOM 0 H THR A 32 7.958 9.181 -28.065 1.00 15.21 H new ATOM 0 HA THR A 32 9.042 11.691 -29.111 1.00 72.43 H new ATOM 0 HB THR A 32 8.286 10.397 -31.323 1.00 32.32 H new ATOM 0 HG1 THR A 32 8.567 8.097 -30.967 1.00 63.42 H new ATOM 0 HG21 THR A 32 10.530 9.380 -31.433 1.00 1.31 H new ATOM 0 HG22 THR A 32 10.589 11.033 -30.778 1.00 1.31 H new ATOM 0 HG23 THR A 32 10.728 9.637 -29.683 1.00 1.31 H new ATOM 507 N ALA A 33 6.909 12.789 -29.747 1.00 15.30 N ATOM 508 CA ALA A 33 5.659 13.480 -30.040 1.00 73.43 C ATOM 509 C ALA A 33 5.903 14.716 -30.898 1.00 52.34 C ATOM 510 O ALA A 33 6.757 15.545 -30.581 1.00 73.54 O ATOM 511 CB ALA A 33 4.951 13.862 -28.749 1.00 3.23 C ATOM 0 H ALA A 33 7.731 13.393 -29.731 1.00 15.30 H new ATOM 0 HA ALA A 33 5.020 12.800 -30.603 1.00 73.43 H new ATOM 0 HB1 ALA A 33 4.019 14.377 -28.984 1.00 3.23 H new ATOM 0 HB2 ALA A 33 4.733 12.962 -28.174 1.00 3.23 H new ATOM 0 HB3 ALA A 33 5.592 14.521 -28.164 1.00 3.23 H new ATOM 517 N ARG A 34 5.149 14.834 -31.986 1.00 55.42 N ATOM 518 CA ARG A 34 5.285 15.969 -32.891 1.00 11.40 C ATOM 519 C ARG A 34 6.713 16.077 -33.417 1.00 62.20 C ATOM 520 O ARG A 34 7.311 17.152 -33.406 1.00 14.23 O ATOM 521 CB ARG A 34 4.893 17.266 -32.180 1.00 22.14 C ATOM 522 CG ARG A 34 3.430 17.318 -31.770 1.00 24.10 C ATOM 523 CD ARG A 34 3.017 18.722 -31.358 1.00 31.02 C ATOM 524 NE ARG A 34 1.726 19.101 -31.926 1.00 1.41 N ATOM 525 CZ ARG A 34 1.563 19.490 -33.186 1.00 3.13 C ATOM 526 NH1 ARG A 34 2.605 19.550 -34.004 1.00 75.13 N ATOM 527 NH2 ARG A 34 0.357 19.819 -33.629 1.00 12.50 N ATOM 0 H ARG A 34 4.437 14.157 -32.262 1.00 55.42 H new ATOM 0 HA ARG A 34 4.616 15.809 -33.736 1.00 11.40 H new ATOM 0 HB2 ARG A 34 5.515 17.386 -31.293 1.00 22.14 H new ATOM 0 HB3 ARG A 34 5.108 18.109 -32.836 1.00 22.14 H new ATOM 0 HG2 ARG A 34 2.807 16.983 -32.599 1.00 24.10 H new ATOM 0 HG3 ARG A 34 3.258 16.629 -30.943 1.00 24.10 H new ATOM 0 HD2 ARG A 34 2.966 18.781 -30.271 1.00 31.02 H new ATOM 0 HD3 ARG A 34 3.778 19.433 -31.680 1.00 31.02 H new ATOM 0 HE ARG A 34 0.905 19.065 -31.322 1.00 1.41 H new ATOM 0 HH11 ARG A 34 3.534 19.297 -33.666 1.00 75.13 H new ATOM 0 HH12 ARG A 34 2.478 19.849 -34.971 1.00 75.13 H new ATOM 0 HH21 ARG A 34 -0.446 19.774 -33.002 1.00 12.50 H new ATOM 0 HH22 ARG A 34 0.233 20.118 -34.596 1.00 12.50 H new ATOM 541 N GLY A 35 7.255 14.953 -33.877 1.00 41.23 N ATOM 542 CA GLY A 35 8.609 14.942 -34.400 1.00 52.43 C ATOM 543 C GLY A 35 9.622 15.459 -33.398 1.00 32.53 C ATOM 544 O GLY A 35 10.654 16.012 -33.776 1.00 44.44 O ATOM 0 H GLY A 35 6.781 14.050 -33.897 1.00 41.23 H new ATOM 0 HA2 GLY A 35 8.875 13.925 -34.689 1.00 52.43 H new ATOM 0 HA3 GLY A 35 8.652 15.552 -35.302 1.00 52.43 H new ATOM 548 N HIS A 36 9.326 15.279 -32.114 1.00 64.41 N ATOM 549 CA HIS A 36 10.219 15.732 -31.053 1.00 63.54 C ATOM 550 C HIS A 36 10.372 14.661 -29.978 1.00 31.55 C ATOM 551 O HIS A 36 9.398 14.017 -29.588 1.00 24.31 O ATOM 552 CB HIS A 36 9.692 17.025 -30.431 1.00 74.41 C ATOM 553 CG HIS A 36 10.359 18.258 -30.957 1.00 11.14 C ATOM 554 ND1 HIS A 36 9.803 19.056 -31.935 1.00 25.42 N ATOM 555 CD2 HIS A 36 11.542 18.831 -30.633 1.00 71.21 C ATOM 556 CE1 HIS A 36 10.617 20.064 -32.192 1.00 12.44 C ATOM 557 NE2 HIS A 36 11.679 19.952 -31.415 1.00 31.44 N ATOM 0 H HIS A 36 8.475 14.823 -31.784 1.00 64.41 H new ATOM 0 HA HIS A 36 11.198 15.923 -31.493 1.00 63.54 H new ATOM 0 HB2 HIS A 36 8.620 17.096 -30.614 1.00 74.41 H new ATOM 0 HB3 HIS A 36 9.829 16.981 -29.351 1.00 74.41 H new ATOM 0 HD2 HIS A 36 12.247 18.473 -29.897 1.00 71.21 H new ATOM 0 HE1 HIS A 36 10.443 20.847 -32.915 1.00 12.44 H new ATOM 0 HE2 HIS A 36 12.472 20.593 -31.398 1.00 31.44 H new ATOM 565 N GLU A 37 11.600 14.476 -29.503 1.00 71.20 N ATOM 566 CA GLU A 37 11.879 13.481 -28.474 1.00 13.54 C ATOM 567 C GLU A 37 11.934 14.129 -27.093 1.00 24.22 C ATOM 568 O GLU A 37 12.613 15.137 -26.894 1.00 61.42 O ATOM 569 CB GLU A 37 13.200 12.767 -28.768 1.00 15.04 C ATOM 570 CG GLU A 37 14.412 13.682 -28.713 1.00 74.31 C ATOM 571 CD GLU A 37 15.611 13.105 -29.441 1.00 15.51 C ATOM 572 OE1 GLU A 37 15.623 11.882 -29.690 1.00 35.02 O ATOM 573 OE2 GLU A 37 16.537 13.879 -29.762 1.00 10.21 O ATOM 0 H GLU A 37 12.417 15.002 -29.814 1.00 71.20 H new ATOM 0 HA GLU A 37 11.070 12.750 -28.482 1.00 13.54 H new ATOM 0 HB2 GLU A 37 13.333 11.958 -28.050 1.00 15.04 H new ATOM 0 HB3 GLU A 37 13.144 12.311 -29.756 1.00 15.04 H new ATOM 0 HG2 GLU A 37 14.155 14.646 -29.151 1.00 74.31 H new ATOM 0 HG3 GLU A 37 14.677 13.866 -27.672 1.00 74.31 H new ATOM 580 N PHE A 38 11.215 13.542 -26.142 1.00 2.45 N ATOM 581 CA PHE A 38 11.181 14.062 -24.779 1.00 73.14 C ATOM 582 C PHE A 38 11.628 12.999 -23.780 1.00 45.04 C ATOM 583 O PHE A 38 10.954 11.987 -23.592 1.00 1.33 O ATOM 584 CB PHE A 38 9.771 14.544 -24.430 1.00 42.35 C ATOM 585 CG PHE A 38 9.184 15.471 -25.456 1.00 12.30 C ATOM 586 CD1 PHE A 38 9.769 16.700 -25.714 1.00 42.41 C ATOM 587 CD2 PHE A 38 8.047 15.114 -26.162 1.00 72.52 C ATOM 588 CE1 PHE A 38 9.230 17.555 -26.657 1.00 2.53 C ATOM 589 CE2 PHE A 38 7.503 15.964 -27.106 1.00 44.43 C ATOM 590 CZ PHE A 38 8.097 17.187 -27.355 1.00 33.45 C ATOM 0 H PHE A 38 10.648 12.707 -26.289 1.00 2.45 H new ATOM 0 HA PHE A 38 11.871 14.904 -24.721 1.00 73.14 H new ATOM 0 HB2 PHE A 38 9.117 13.679 -24.317 1.00 42.35 H new ATOM 0 HB3 PHE A 38 9.797 15.052 -23.466 1.00 42.35 H new ATOM 0 HD1 PHE A 38 10.656 16.993 -25.172 1.00 42.41 H new ATOM 0 HD2 PHE A 38 7.580 14.159 -25.972 1.00 72.52 H new ATOM 0 HE1 PHE A 38 9.695 18.511 -26.848 1.00 2.53 H new ATOM 0 HE2 PHE A 38 6.615 15.673 -27.648 1.00 44.43 H new ATOM 0 HZ PHE A 38 7.676 17.853 -28.094 1.00 33.45 H new ATOM 600 N GLU A 39 12.771 13.237 -23.144 1.00 43.23 N ATOM 601 CA GLU A 39 13.310 12.300 -22.166 1.00 31.31 C ATOM 602 C GLU A 39 12.886 12.686 -20.752 1.00 4.23 C ATOM 603 O GLU A 39 13.483 13.566 -20.131 1.00 45.13 O ATOM 604 CB GLU A 39 14.837 12.253 -22.258 1.00 75.01 C ATOM 605 CG GLU A 39 15.350 11.711 -23.582 1.00 0.54 C ATOM 606 CD GLU A 39 16.835 11.408 -23.551 1.00 24.11 C ATOM 607 OE1 GLU A 39 17.622 12.328 -23.243 1.00 31.25 O ATOM 608 OE2 GLU A 39 17.211 10.252 -23.835 1.00 63.31 O ATOM 0 H GLU A 39 13.341 14.070 -23.289 1.00 43.23 H new ATOM 0 HA GLU A 39 12.910 11.311 -22.390 1.00 31.31 H new ATOM 0 HB2 GLU A 39 15.233 13.257 -22.108 1.00 75.01 H new ATOM 0 HB3 GLU A 39 15.223 11.634 -21.448 1.00 75.01 H new ATOM 0 HG2 GLU A 39 14.803 10.803 -23.835 1.00 0.54 H new ATOM 0 HG3 GLU A 39 15.147 12.436 -24.370 1.00 0.54 H new ATOM 615 N VAL A 40 11.851 12.022 -20.248 1.00 20.11 N ATOM 616 CA VAL A 40 11.347 12.294 -18.907 1.00 51.43 C ATOM 617 C VAL A 40 11.829 11.242 -17.915 1.00 13.44 C ATOM 618 O VAL A 40 12.219 10.142 -18.303 1.00 32.22 O ATOM 619 CB VAL A 40 9.807 12.339 -18.885 1.00 25.33 C ATOM 620 CG1 VAL A 40 9.294 13.502 -19.720 1.00 63.53 C ATOM 621 CG2 VAL A 40 9.230 11.021 -19.378 1.00 73.13 C ATOM 0 H VAL A 40 11.345 11.291 -20.748 1.00 20.11 H new ATOM 0 HA VAL A 40 11.736 13.269 -18.614 1.00 51.43 H new ATOM 0 HB VAL A 40 9.479 12.491 -17.857 1.00 25.33 H new ATOM 0 HG11 VAL A 40 8.204 13.517 -19.692 1.00 63.53 H new ATOM 0 HG12 VAL A 40 9.680 14.438 -19.316 1.00 63.53 H new ATOM 0 HG13 VAL A 40 9.629 13.386 -20.751 1.00 63.53 H new ATOM 0 HG21 VAL A 40 8.141 11.070 -19.356 1.00 73.13 H new ATOM 0 HG22 VAL A 40 9.565 10.837 -20.399 1.00 73.13 H new ATOM 0 HG23 VAL A 40 9.570 10.211 -18.733 1.00 73.13 H new ATOM 631 N GLU A 41 11.798 11.589 -16.632 1.00 10.14 N ATOM 632 CA GLU A 41 12.232 10.674 -15.583 1.00 63.40 C ATOM 633 C GLU A 41 11.101 10.402 -14.595 1.00 63.23 C ATOM 634 O GLU A 41 10.448 11.327 -14.113 1.00 63.23 O ATOM 635 CB GLU A 41 13.443 11.247 -14.844 1.00 11.24 C ATOM 636 CG GLU A 41 13.845 10.443 -13.619 1.00 1.23 C ATOM 637 CD GLU A 41 15.038 11.038 -12.896 1.00 42.13 C ATOM 638 OE1 GLU A 41 15.020 12.257 -12.626 1.00 15.24 O ATOM 639 OE2 GLU A 41 15.990 10.285 -12.602 1.00 1.50 O ATOM 0 H GLU A 41 11.477 12.496 -16.294 1.00 10.14 H new ATOM 0 HA GLU A 41 12.515 9.732 -16.053 1.00 63.40 H new ATOM 0 HB2 GLU A 41 14.288 11.294 -15.531 1.00 11.24 H new ATOM 0 HB3 GLU A 41 13.222 12.270 -14.540 1.00 11.24 H new ATOM 0 HG2 GLU A 41 13.000 10.387 -12.933 1.00 1.23 H new ATOM 0 HG3 GLU A 41 14.080 9.422 -13.920 1.00 1.23 H new ATOM 646 N ALA A 42 10.876 9.126 -14.300 1.00 33.23 N ATOM 647 CA ALA A 42 9.825 8.731 -13.369 1.00 44.42 C ATOM 648 C ALA A 42 10.409 8.340 -12.016 1.00 4.31 C ATOM 649 O ALA A 42 11.202 7.403 -11.917 1.00 41.43 O ATOM 650 CB ALA A 42 9.012 7.583 -13.947 1.00 62.32 C ATOM 0 H ALA A 42 11.407 8.348 -14.692 1.00 33.23 H new ATOM 0 HA ALA A 42 9.167 9.587 -13.218 1.00 44.42 H new ATOM 0 HB1 ALA A 42 8.231 7.299 -13.241 1.00 62.32 H new ATOM 0 HB2 ALA A 42 8.556 7.897 -14.886 1.00 62.32 H new ATOM 0 HB3 ALA A 42 9.665 6.730 -14.128 1.00 62.32 H new ATOM 656 N LYS A 43 10.014 9.064 -10.974 1.00 55.14 N ATOM 657 CA LYS A 43 10.497 8.793 -9.626 1.00 13.23 C ATOM 658 C LYS A 43 9.352 8.364 -8.714 1.00 20.44 C ATOM 659 O LYS A 43 9.562 7.653 -7.730 1.00 44.24 O ATOM 660 CB LYS A 43 11.184 10.033 -9.049 1.00 43.04 C ATOM 661 CG LYS A 43 12.657 10.133 -9.407 1.00 1.21 C ATOM 662 CD LYS A 43 13.543 9.811 -8.215 1.00 43.05 C ATOM 663 CE LYS A 43 14.903 9.292 -8.657 1.00 22.14 C ATOM 664 NZ LYS A 43 14.949 7.804 -8.675 1.00 64.43 N ATOM 0 H LYS A 43 9.360 9.844 -11.038 1.00 55.14 H new ATOM 0 HA LYS A 43 11.219 7.978 -9.683 1.00 13.23 H new ATOM 0 HB2 LYS A 43 10.670 10.924 -9.409 1.00 43.04 H new ATOM 0 HB3 LYS A 43 11.082 10.023 -7.964 1.00 43.04 H new ATOM 0 HG2 LYS A 43 12.881 9.447 -10.224 1.00 1.21 H new ATOM 0 HG3 LYS A 43 12.878 11.139 -9.765 1.00 1.21 H new ATOM 0 HD2 LYS A 43 13.674 10.705 -7.605 1.00 43.05 H new ATOM 0 HD3 LYS A 43 13.054 9.066 -7.587 1.00 43.05 H new ATOM 0 HE2 LYS A 43 15.132 9.675 -9.652 1.00 22.14 H new ATOM 0 HE3 LYS A 43 15.673 9.671 -7.985 1.00 22.14 H new ATOM 0 HZ1 LYS A 43 15.892 7.490 -8.981 1.00 64.43 H new ATOM 0 HZ2 LYS A 43 14.755 7.439 -7.721 1.00 64.43 H new ATOM 0 HZ3 LYS A 43 14.232 7.442 -9.336 1.00 64.43 H new ATOM 678 N ASP A 44 8.142 8.798 -9.047 1.00 34.32 N ATOM 679 CA ASP A 44 6.963 8.456 -8.259 1.00 20.30 C ATOM 680 C ASP A 44 5.707 9.079 -8.861 1.00 5.34 C ATOM 681 O ASP A 44 5.761 9.707 -9.918 1.00 1.23 O ATOM 682 CB ASP A 44 7.137 8.923 -6.813 1.00 33.31 C ATOM 683 CG ASP A 44 7.688 10.332 -6.722 1.00 10.10 C ATOM 684 OD1 ASP A 44 7.212 11.205 -7.477 1.00 74.22 O ATOM 685 OD2 ASP A 44 8.596 10.562 -5.896 1.00 44.12 O ATOM 0 H ASP A 44 7.951 9.387 -9.857 1.00 34.32 H new ATOM 0 HA ASP A 44 6.850 7.372 -8.271 1.00 20.30 H new ATOM 0 HB2 ASP A 44 6.175 8.878 -6.302 1.00 33.31 H new ATOM 0 HB3 ASP A 44 7.807 8.240 -6.292 1.00 33.31 H new ATOM 690 N GLN A 45 4.580 8.900 -8.180 1.00 53.24 N ATOM 691 CA GLN A 45 3.311 9.444 -8.650 1.00 12.15 C ATOM 692 C GLN A 45 3.436 10.933 -8.954 1.00 42.15 C ATOM 693 O GLN A 45 2.749 11.457 -9.830 1.00 41.11 O ATOM 694 CB GLN A 45 2.217 9.216 -7.605 1.00 73.42 C ATOM 695 CG GLN A 45 2.616 9.644 -6.202 1.00 53.03 C ATOM 696 CD GLN A 45 1.434 9.714 -5.255 1.00 61.11 C ATOM 697 OE1 GLN A 45 0.426 9.035 -5.451 1.00 31.32 O ATOM 698 NE2 GLN A 45 1.552 10.538 -4.221 1.00 23.15 N ATOM 0 H GLN A 45 4.519 8.384 -7.303 1.00 53.24 H new ATOM 0 HA GLN A 45 3.041 8.925 -9.570 1.00 12.15 H new ATOM 0 HB2 GLN A 45 1.323 9.764 -7.902 1.00 73.42 H new ATOM 0 HB3 GLN A 45 1.954 8.158 -7.592 1.00 73.42 H new ATOM 0 HG2 GLN A 45 3.352 8.943 -5.808 1.00 53.03 H new ATOM 0 HG3 GLN A 45 3.099 10.620 -6.247 1.00 53.03 H new ATOM 0 HE21 GLN A 45 2.406 11.082 -4.097 1.00 23.15 H new ATOM 0 HE22 GLN A 45 0.789 10.627 -3.550 1.00 23.15 H new ATOM 707 N ASN A 46 4.318 11.609 -8.225 1.00 41.24 N ATOM 708 CA ASN A 46 4.533 13.039 -8.418 1.00 32.14 C ATOM 709 C ASN A 46 5.440 13.296 -9.617 1.00 4.34 C ATOM 710 O ASN A 46 6.648 13.482 -9.466 1.00 44.43 O ATOM 711 CB ASN A 46 5.144 13.658 -7.159 1.00 21.31 C ATOM 712 CG ASN A 46 4.104 14.322 -6.277 1.00 71.53 C ATOM 713 OD1 ASN A 46 3.541 13.693 -5.381 1.00 71.52 O ATOM 714 ND2 ASN A 46 3.844 15.599 -6.529 1.00 10.33 N ATOM 0 H ASN A 46 4.895 11.190 -7.496 1.00 41.24 H new ATOM 0 HA ASN A 46 3.566 13.504 -8.611 1.00 32.14 H new ATOM 0 HB2 ASN A 46 5.658 12.884 -6.590 1.00 21.31 H new ATOM 0 HB3 ASN A 46 5.895 14.394 -7.447 1.00 21.31 H new ATOM 0 HD21 ASN A 46 3.153 16.099 -5.969 1.00 10.33 H new ATOM 0 HD22 ASN A 46 4.335 16.080 -7.282 1.00 10.33 H new ATOM 721 N CYS A 47 4.850 13.306 -10.807 1.00 42.21 N ATOM 722 CA CYS A 47 5.604 13.541 -12.033 1.00 33.21 C ATOM 723 C CYS A 47 5.336 14.942 -12.576 1.00 64.40 C ATOM 724 O CYS A 47 4.193 15.396 -12.617 1.00 51.13 O ATOM 725 CB CYS A 47 5.240 12.495 -13.088 1.00 72.42 C ATOM 726 SG CYS A 47 6.007 10.865 -12.815 1.00 41.13 S ATOM 0 H CYS A 47 3.851 13.154 -10.949 1.00 42.21 H new ATOM 0 HA CYS A 47 6.665 13.458 -11.799 1.00 33.21 H new ATOM 0 HB2 CYS A 47 4.157 12.376 -13.108 1.00 72.42 H new ATOM 0 HB3 CYS A 47 5.538 12.865 -14.069 1.00 72.42 H new ATOM 731 N LYS A 48 6.399 15.621 -12.992 1.00 44.53 N ATOM 732 CA LYS A 48 6.282 16.970 -13.535 1.00 34.33 C ATOM 733 C LYS A 48 6.959 17.069 -14.898 1.00 2.03 C ATOM 734 O LYS A 48 8.048 16.531 -15.102 1.00 12.35 O ATOM 735 CB LYS A 48 6.900 17.985 -12.571 1.00 15.21 C ATOM 736 CG LYS A 48 8.370 17.734 -12.283 1.00 35.11 C ATOM 737 CD LYS A 48 8.590 17.305 -10.842 1.00 1.11 C ATOM 738 CE LYS A 48 10.056 17.406 -10.448 1.00 52.15 C ATOM 739 NZ LYS A 48 10.237 18.149 -9.171 1.00 22.25 N ATOM 0 H LYS A 48 7.352 15.259 -12.964 1.00 44.53 H new ATOM 0 HA LYS A 48 5.223 17.194 -13.659 1.00 34.33 H new ATOM 0 HB2 LYS A 48 6.786 18.986 -12.988 1.00 15.21 H new ATOM 0 HB3 LYS A 48 6.346 17.966 -11.632 1.00 15.21 H new ATOM 0 HG2 LYS A 48 8.747 16.963 -12.955 1.00 35.11 H new ATOM 0 HG3 LYS A 48 8.941 18.640 -12.485 1.00 35.11 H new ATOM 0 HD2 LYS A 48 7.990 17.929 -10.180 1.00 1.11 H new ATOM 0 HD3 LYS A 48 8.247 16.279 -10.710 1.00 1.11 H new ATOM 0 HE2 LYS A 48 10.475 16.405 -10.348 1.00 52.15 H new ATOM 0 HE3 LYS A 48 10.612 17.906 -11.241 1.00 52.15 H new ATOM 0 HZ1 LYS A 48 11.249 18.196 -8.937 1.00 22.25 H new ATOM 0 HZ2 LYS A 48 9.860 19.113 -9.274 1.00 22.25 H new ATOM 0 HZ3 LYS A 48 9.728 17.658 -8.408 1.00 22.25 H new ATOM 753 N VAL A 49 6.309 17.761 -15.828 1.00 1.21 N ATOM 754 CA VAL A 49 6.850 17.933 -17.171 1.00 3.13 C ATOM 755 C VAL A 49 8.283 18.453 -17.123 1.00 54.35 C ATOM 756 O VAL A 49 8.517 19.632 -16.855 1.00 51.15 O ATOM 757 CB VAL A 49 5.991 18.903 -18.002 1.00 54.54 C ATOM 758 CG1 VAL A 49 4.702 18.228 -18.447 1.00 42.44 C ATOM 759 CG2 VAL A 49 5.694 20.166 -17.208 1.00 15.31 C ATOM 0 H VAL A 49 5.407 18.212 -15.676 1.00 1.21 H new ATOM 0 HA VAL A 49 6.838 16.952 -17.646 1.00 3.13 H new ATOM 0 HB VAL A 49 6.552 19.185 -18.893 1.00 54.54 H new ATOM 0 HG11 VAL A 49 4.108 18.929 -19.033 1.00 42.44 H new ATOM 0 HG12 VAL A 49 4.940 17.356 -19.056 1.00 42.44 H new ATOM 0 HG13 VAL A 49 4.134 17.915 -17.571 1.00 42.44 H new ATOM 0 HG21 VAL A 49 5.086 20.840 -17.811 1.00 15.31 H new ATOM 0 HG22 VAL A 49 5.153 19.905 -16.298 1.00 15.31 H new ATOM 0 HG23 VAL A 49 6.630 20.659 -16.945 1.00 15.31 H new ATOM 769 N ILE A 50 9.237 17.567 -17.386 1.00 30.11 N ATOM 770 CA ILE A 50 10.647 17.937 -17.375 1.00 13.21 C ATOM 771 C ILE A 50 11.464 17.016 -18.275 1.00 10.43 C ATOM 772 O ILE A 50 11.118 15.850 -18.467 1.00 14.04 O ATOM 773 CB ILE A 50 11.229 17.893 -15.950 1.00 2.31 C ATOM 774 CG1 ILE A 50 12.631 18.507 -15.929 1.00 71.53 C ATOM 775 CG2 ILE A 50 11.264 16.462 -15.436 1.00 32.22 C ATOM 776 CD1 ILE A 50 13.037 19.041 -14.574 1.00 33.03 C ATOM 0 H ILE A 50 9.060 16.588 -17.609 1.00 30.11 H new ATOM 0 HA ILE A 50 10.709 18.958 -17.752 1.00 13.21 H new ATOM 0 HB ILE A 50 10.586 18.479 -15.293 1.00 2.31 H new ATOM 0 HG12 ILE A 50 13.353 17.754 -16.245 1.00 71.53 H new ATOM 0 HG13 ILE A 50 12.675 19.317 -16.658 1.00 71.53 H new ATOM 0 HG21 ILE A 50 11.678 16.448 -14.428 1.00 32.22 H new ATOM 0 HG22 ILE A 50 10.252 16.057 -15.419 1.00 32.22 H new ATOM 0 HG23 ILE A 50 11.887 15.855 -16.093 1.00 32.22 H new ATOM 0 HD11 ILE A 50 14.041 19.461 -14.634 1.00 33.03 H new ATOM 0 HD12 ILE A 50 12.337 19.817 -14.264 1.00 33.03 H new ATOM 0 HD13 ILE A 50 13.026 18.231 -13.845 1.00 33.03 H new ATOM 788 N LEU A 51 12.551 17.547 -18.823 1.00 43.02 N ATOM 789 CA LEU A 51 13.421 16.772 -19.702 1.00 53.51 C ATOM 790 C LEU A 51 14.816 16.631 -19.101 1.00 74.13 C ATOM 791 O LEU A 51 15.271 17.494 -18.350 1.00 32.45 O ATOM 792 CB LEU A 51 13.510 17.436 -21.077 1.00 43.14 C ATOM 793 CG LEU A 51 12.194 17.950 -21.662 1.00 30.22 C ATOM 794 CD1 LEU A 51 12.456 18.830 -22.874 1.00 75.44 C ATOM 795 CD2 LEU A 51 11.284 16.787 -22.031 1.00 24.24 C ATOM 0 H LEU A 51 12.851 18.510 -18.675 1.00 43.02 H new ATOM 0 HA LEU A 51 12.991 15.776 -19.813 1.00 53.51 H new ATOM 0 HB2 LEU A 51 14.206 18.273 -21.010 1.00 43.14 H new ATOM 0 HB3 LEU A 51 13.940 16.719 -21.777 1.00 43.14 H new ATOM 0 HG LEU A 51 11.692 18.552 -20.904 1.00 30.22 H new ATOM 0 HD11 LEU A 51 11.508 19.186 -23.277 1.00 75.44 H new ATOM 0 HD12 LEU A 51 13.068 19.682 -22.579 1.00 75.44 H new ATOM 0 HD13 LEU A 51 12.980 18.253 -23.636 1.00 75.44 H new ATOM 0 HD21 LEU A 51 10.352 17.171 -22.446 1.00 24.24 H new ATOM 0 HD22 LEU A 51 11.779 16.159 -22.772 1.00 24.24 H new ATOM 0 HD23 LEU A 51 11.068 16.197 -21.140 1.00 24.24 H new ATOM 807 N THR A 52 15.492 15.537 -19.439 1.00 52.34 N ATOM 808 CA THR A 52 16.835 15.283 -18.935 1.00 22.22 C ATOM 809 C THR A 52 17.889 15.926 -19.829 1.00 23.33 C ATOM 810 O THR A 52 19.087 15.714 -19.643 1.00 72.11 O ATOM 811 CB THR A 52 17.119 13.772 -18.830 1.00 42.41 C ATOM 812 OG1 THR A 52 18.352 13.553 -18.136 1.00 64.22 O ATOM 813 CG2 THR A 52 17.188 13.138 -20.211 1.00 23.21 C ATOM 0 H THR A 52 15.131 14.813 -20.060 1.00 52.34 H new ATOM 0 HA THR A 52 16.888 15.725 -17.940 1.00 22.22 H new ATOM 0 HB THR A 52 16.303 13.308 -18.275 1.00 42.41 H new ATOM 0 HG1 THR A 52 19.030 14.177 -18.469 1.00 64.22 H new ATOM 0 HG21 THR A 52 17.389 12.071 -20.112 1.00 23.21 H new ATOM 0 HG22 THR A 52 16.238 13.282 -20.725 1.00 23.21 H new ATOM 0 HG23 THR A 52 17.986 13.606 -20.787 1.00 23.21 H new ATOM 821 N ASN A 53 17.436 16.713 -20.799 1.00 34.31 N ATOM 822 CA ASN A 53 18.341 17.387 -21.722 1.00 51.22 C ATOM 823 C ASN A 53 18.620 18.815 -21.264 1.00 42.51 C ATOM 824 O ASN A 53 18.847 19.707 -22.081 1.00 11.34 O ATOM 825 CB ASN A 53 17.749 17.399 -23.133 1.00 33.21 C ATOM 826 CG ASN A 53 16.652 18.434 -23.291 1.00 11.10 C ATOM 827 OD1 ASN A 53 16.001 18.818 -22.319 1.00 51.43 O ATOM 828 ND2 ASN A 53 16.442 18.891 -24.520 1.00 62.43 N ATOM 0 H ASN A 53 16.447 16.900 -20.966 1.00 34.31 H new ATOM 0 HA ASN A 53 19.282 16.837 -21.735 1.00 51.22 H new ATOM 0 HB2 ASN A 53 18.541 17.600 -23.855 1.00 33.21 H new ATOM 0 HB3 ASN A 53 17.349 16.412 -23.365 1.00 33.21 H new ATOM 0 HD21 ASN A 53 15.717 19.589 -24.688 1.00 62.43 H new ATOM 0 HD22 ASN A 53 17.006 18.544 -25.296 1.00 62.43 H new ATOM 835 N GLY A 54 18.603 19.024 -19.951 1.00 53.40 N ATOM 836 CA GLY A 54 18.856 20.346 -19.407 1.00 31.44 C ATOM 837 C GLY A 54 17.838 21.369 -19.871 1.00 24.32 C ATOM 838 O GLY A 54 18.125 22.565 -19.914 1.00 52.32 O ATOM 0 H GLY A 54 18.419 18.302 -19.255 1.00 53.40 H new ATOM 0 HA2 GLY A 54 18.845 20.296 -18.318 1.00 31.44 H new ATOM 0 HA3 GLY A 54 19.854 20.672 -19.701 1.00 31.44 H new ATOM 842 N LYS A 55 16.646 20.898 -20.221 1.00 0.32 N ATOM 843 CA LYS A 55 15.581 21.780 -20.685 1.00 23.30 C ATOM 844 C LYS A 55 14.231 21.344 -20.125 1.00 21.20 C ATOM 845 O LYS A 55 14.056 20.191 -19.732 1.00 72.21 O ATOM 846 CB LYS A 55 15.531 21.791 -22.214 1.00 43.45 C ATOM 847 CG LYS A 55 15.455 23.187 -22.810 1.00 24.41 C ATOM 848 CD LYS A 55 16.824 23.681 -23.249 1.00 75.31 C ATOM 849 CE LYS A 55 16.907 25.199 -23.210 1.00 73.04 C ATOM 850 NZ LYS A 55 16.781 25.796 -24.569 1.00 10.12 N ATOM 0 H LYS A 55 16.393 19.910 -20.192 1.00 0.32 H new ATOM 0 HA LYS A 55 15.795 22.787 -20.327 1.00 23.30 H new ATOM 0 HB2 LYS A 55 16.416 21.287 -22.602 1.00 43.45 H new ATOM 0 HB3 LYS A 55 14.666 21.216 -22.545 1.00 43.45 H new ATOM 0 HG2 LYS A 55 14.778 23.183 -23.664 1.00 24.41 H new ATOM 0 HG3 LYS A 55 15.037 23.875 -22.075 1.00 24.41 H new ATOM 0 HD2 LYS A 55 17.590 23.257 -22.600 1.00 75.31 H new ATOM 0 HD3 LYS A 55 17.032 23.330 -24.260 1.00 75.31 H new ATOM 0 HE2 LYS A 55 16.118 25.590 -22.567 1.00 73.04 H new ATOM 0 HE3 LYS A 55 17.857 25.500 -22.768 1.00 73.04 H new ATOM 0 HZ1 LYS A 55 16.843 26.832 -24.500 1.00 10.12 H new ATOM 0 HZ2 LYS A 55 17.548 25.443 -25.176 1.00 10.12 H new ATOM 0 HZ3 LYS A 55 15.864 25.530 -24.981 1.00 10.12 H new ATOM 864 N GLN A 56 13.281 22.273 -20.093 1.00 70.42 N ATOM 865 CA GLN A 56 11.947 21.982 -19.582 1.00 14.51 C ATOM 866 C GLN A 56 10.929 21.926 -20.717 1.00 2.23 C ATOM 867 O GLN A 56 11.082 22.602 -21.734 1.00 73.50 O ATOM 868 CB GLN A 56 11.529 23.040 -18.558 1.00 73.44 C ATOM 869 CG GLN A 56 11.602 24.462 -19.089 1.00 1.44 C ATOM 870 CD GLN A 56 12.597 25.318 -18.329 1.00 62.42 C ATOM 871 OE1 GLN A 56 12.443 25.554 -17.131 1.00 34.13 O ATOM 872 NE2 GLN A 56 13.627 25.787 -19.024 1.00 74.14 N ATOM 0 H GLN A 56 13.410 23.232 -20.414 1.00 70.42 H new ATOM 0 HA GLN A 56 11.976 21.007 -19.096 1.00 14.51 H new ATOM 0 HB2 GLN A 56 10.510 22.835 -18.231 1.00 73.44 H new ATOM 0 HB3 GLN A 56 12.168 22.956 -17.679 1.00 73.44 H new ATOM 0 HG2 GLN A 56 11.879 24.439 -20.143 1.00 1.44 H new ATOM 0 HG3 GLN A 56 10.614 24.919 -19.029 1.00 1.44 H new ATOM 0 HE21 GLN A 56 13.716 25.567 -20.016 1.00 74.14 H new ATOM 0 HE22 GLN A 56 14.329 26.368 -18.566 1.00 74.14 H new ATOM 881 N ALA A 57 9.892 21.116 -20.535 1.00 35.02 N ATOM 882 CA ALA A 57 8.848 20.973 -21.543 1.00 22.14 C ATOM 883 C ALA A 57 8.304 22.333 -21.966 1.00 71.12 C ATOM 884 O ALA A 57 8.454 23.334 -21.266 1.00 12.15 O ATOM 885 CB ALA A 57 7.724 20.093 -21.017 1.00 70.30 C ATOM 0 H ALA A 57 9.752 20.549 -19.699 1.00 35.02 H new ATOM 0 HA ALA A 57 9.287 20.498 -22.420 1.00 22.14 H new ATOM 0 HB1 ALA A 57 6.951 19.995 -21.780 1.00 70.30 H new ATOM 0 HB2 ALA A 57 8.119 19.107 -20.771 1.00 70.30 H new ATOM 0 HB3 ALA A 57 7.296 20.546 -20.123 1.00 70.30 H new ATOM 891 N PRO A 58 7.657 22.373 -23.141 1.00 21.44 N ATOM 892 CA PRO A 58 7.078 23.605 -23.684 1.00 34.41 C ATOM 893 C PRO A 58 5.865 24.075 -22.888 1.00 74.44 C ATOM 894 O PRO A 58 5.568 23.543 -21.818 1.00 44.21 O ATOM 895 CB PRO A 58 6.665 23.207 -25.103 1.00 71.32 C ATOM 896 CG PRO A 58 6.453 21.734 -25.037 1.00 35.41 C ATOM 897 CD PRO A 58 7.441 21.218 -24.028 1.00 62.32 C ATOM 0 HA PRO A 58 7.781 24.437 -23.648 1.00 34.41 H new ATOM 0 HB2 PRO A 58 5.756 23.724 -25.411 1.00 71.32 H new ATOM 0 HB3 PRO A 58 7.438 23.464 -25.827 1.00 71.32 H new ATOM 0 HG2 PRO A 58 5.431 21.500 -24.738 1.00 35.41 H new ATOM 0 HG3 PRO A 58 6.613 21.273 -26.011 1.00 35.41 H new ATOM 0 HD2 PRO A 58 7.047 20.360 -23.482 1.00 62.32 H new ATOM 0 HD3 PRO A 58 8.368 20.896 -24.502 1.00 62.32 H new ATOM 905 N ASP A 59 5.166 25.073 -23.418 1.00 23.10 N ATOM 906 CA ASP A 59 3.984 25.613 -22.758 1.00 13.43 C ATOM 907 C ASP A 59 2.749 24.780 -23.087 1.00 11.41 C ATOM 908 O ASP A 59 1.709 24.913 -22.442 1.00 32.11 O ATOM 909 CB ASP A 59 3.760 27.067 -23.176 1.00 13.40 C ATOM 910 CG ASP A 59 4.301 28.053 -22.159 1.00 31.54 C ATOM 911 OD1 ASP A 59 5.518 28.013 -21.885 1.00 5.22 O ATOM 912 OD2 ASP A 59 3.507 28.862 -21.635 1.00 53.35 O ATOM 0 H ASP A 59 5.398 25.524 -24.303 1.00 23.10 H new ATOM 0 HA ASP A 59 4.150 25.574 -21.681 1.00 13.43 H new ATOM 0 HB2 ASP A 59 4.240 27.243 -24.139 1.00 13.40 H new ATOM 0 HB3 ASP A 59 2.693 27.242 -23.315 1.00 13.40 H new ATOM 917 N TRP A 60 2.871 23.924 -24.094 1.00 62.24 N ATOM 918 CA TRP A 60 1.764 23.070 -24.510 1.00 22.10 C ATOM 919 C TRP A 60 1.986 21.631 -24.056 1.00 43.31 C ATOM 920 O TRP A 60 1.434 20.695 -24.635 1.00 34.12 O ATOM 921 CB TRP A 60 1.598 23.118 -26.030 1.00 5.43 C ATOM 922 CG TRP A 60 2.882 22.905 -26.774 1.00 74.13 C ATOM 923 CD1 TRP A 60 3.802 23.856 -27.110 1.00 43.01 C ATOM 924 CD2 TRP A 60 3.384 21.662 -27.277 1.00 2.03 C ATOM 925 NE1 TRP A 60 4.847 23.279 -27.791 1.00 41.21 N ATOM 926 CE2 TRP A 60 4.615 21.934 -27.905 1.00 41.15 C ATOM 927 CE3 TRP A 60 2.916 20.346 -27.255 1.00 32.33 C ATOM 928 CZ2 TRP A 60 5.380 20.938 -28.507 1.00 33.14 C ATOM 929 CZ3 TRP A 60 3.676 19.358 -27.852 1.00 53.10 C ATOM 930 CH2 TRP A 60 4.897 19.658 -28.470 1.00 71.04 C ATOM 0 H TRP A 60 3.725 23.802 -24.638 1.00 62.24 H new ATOM 0 HA TRP A 60 0.854 23.443 -24.040 1.00 22.10 H new ATOM 0 HB2 TRP A 60 0.879 22.357 -26.334 1.00 5.43 H new ATOM 0 HB3 TRP A 60 1.178 24.084 -26.312 1.00 5.43 H new ATOM 0 HD1 TRP A 60 3.721 24.907 -26.875 1.00 43.01 H new ATOM 0 HE1 TRP A 60 5.663 23.772 -28.153 1.00 41.21 H new ATOM 0 HE3 TRP A 60 1.977 20.105 -26.780 1.00 32.33 H new ATOM 0 HZ2 TRP A 60 6.320 21.167 -28.986 1.00 33.14 H new ATOM 0 HZ3 TRP A 60 3.323 18.337 -27.842 1.00 53.10 H new ATOM 0 HH2 TRP A 60 5.469 18.863 -28.926 1.00 71.04 H new ATOM 941 N LEU A 61 2.797 21.462 -23.018 1.00 24.31 N ATOM 942 CA LEU A 61 3.092 20.136 -22.486 1.00 22.31 C ATOM 943 C LEU A 61 2.555 19.987 -21.066 1.00 72.21 C ATOM 944 O LEU A 61 2.535 20.946 -20.296 1.00 0.14 O ATOM 945 CB LEU A 61 4.601 19.882 -22.502 1.00 34.13 C ATOM 946 CG LEU A 61 5.070 18.679 -23.320 1.00 22.40 C ATOM 947 CD1 LEU A 61 4.313 17.425 -22.909 1.00 51.40 C ATOM 948 CD2 LEU A 61 4.897 18.945 -24.808 1.00 75.01 C ATOM 0 H LEU A 61 3.262 22.226 -22.528 1.00 24.31 H new ATOM 0 HA LEU A 61 2.599 19.399 -23.120 1.00 22.31 H new ATOM 0 HB2 LEU A 61 5.095 20.774 -22.888 1.00 34.13 H new ATOM 0 HB3 LEU A 61 4.938 19.751 -21.474 1.00 34.13 H new ATOM 0 HG LEU A 61 6.130 18.520 -23.121 1.00 22.40 H new ATOM 0 HD11 LEU A 61 4.661 16.579 -23.502 1.00 51.40 H new ATOM 0 HD12 LEU A 61 4.489 17.224 -21.852 1.00 51.40 H new ATOM 0 HD13 LEU A 61 3.246 17.572 -23.078 1.00 51.40 H new ATOM 0 HD21 LEU A 61 5.236 18.078 -25.374 1.00 75.01 H new ATOM 0 HD22 LEU A 61 3.845 19.131 -25.024 1.00 75.01 H new ATOM 0 HD23 LEU A 61 5.486 19.817 -25.093 1.00 75.01 H new ATOM 960 N ALA A 62 2.122 18.777 -20.727 1.00 11.04 N ATOM 961 CA ALA A 62 1.589 18.501 -19.398 1.00 54.44 C ATOM 962 C ALA A 62 1.866 17.060 -18.984 1.00 12.44 C ATOM 963 O ALA A 62 2.365 16.262 -19.776 1.00 33.32 O ATOM 964 CB ALA A 62 0.094 18.785 -19.360 1.00 43.52 C ATOM 0 H ALA A 62 2.130 17.972 -21.354 1.00 11.04 H new ATOM 0 HA ALA A 62 2.091 19.158 -18.688 1.00 54.44 H new ATOM 0 HB1 ALA A 62 -0.291 18.575 -18.362 1.00 43.52 H new ATOM 0 HB2 ALA A 62 -0.084 19.832 -19.604 1.00 43.52 H new ATOM 0 HB3 ALA A 62 -0.415 18.152 -20.086 1.00 43.52 H new ATOM 970 N ALA A 63 1.540 16.735 -17.737 1.00 53.20 N ATOM 971 CA ALA A 63 1.753 15.390 -17.218 1.00 34.21 C ATOM 972 C ALA A 63 0.838 15.108 -16.031 1.00 13.31 C ATOM 973 O ALA A 63 0.980 15.714 -14.969 1.00 52.24 O ATOM 974 CB ALA A 63 3.209 15.202 -16.820 1.00 62.14 C ATOM 0 H ALA A 63 1.127 17.385 -17.068 1.00 53.20 H new ATOM 0 HA ALA A 63 1.509 14.680 -18.008 1.00 34.21 H new ATOM 0 HB1 ALA A 63 3.353 14.193 -16.434 1.00 62.14 H new ATOM 0 HB2 ALA A 63 3.847 15.352 -17.691 1.00 62.14 H new ATOM 0 HB3 ALA A 63 3.472 15.926 -16.049 1.00 62.14 H new ATOM 980 N GLU A 64 -0.101 14.186 -16.219 1.00 30.12 N ATOM 981 CA GLU A 64 -1.040 13.826 -15.163 1.00 1.34 C ATOM 982 C GLU A 64 -0.757 12.421 -14.639 1.00 11.35 C ATOM 983 O GLU A 64 -0.104 11.607 -15.292 1.00 1.52 O ATOM 984 CB GLU A 64 -2.478 13.910 -15.678 1.00 12.52 C ATOM 985 CG GLU A 64 -3.176 15.213 -15.323 1.00 74.34 C ATOM 986 CD GLU A 64 -2.332 16.432 -15.638 1.00 63.02 C ATOM 987 OE1 GLU A 64 -2.143 16.729 -16.837 1.00 23.53 O ATOM 988 OE2 GLU A 64 -1.860 17.089 -14.687 1.00 43.12 O ATOM 0 H GLU A 64 -0.232 13.675 -17.092 1.00 30.12 H new ATOM 0 HA GLU A 64 -0.914 14.533 -14.343 1.00 1.34 H new ATOM 0 HB2 GLU A 64 -2.474 13.793 -16.762 1.00 12.52 H new ATOM 0 HB3 GLU A 64 -3.051 13.078 -15.269 1.00 12.52 H new ATOM 0 HG2 GLU A 64 -4.117 15.277 -15.869 1.00 74.34 H new ATOM 0 HG3 GLU A 64 -3.423 15.211 -14.261 1.00 74.34 H new ATOM 995 N PRO A 65 -1.260 12.129 -13.430 1.00 20.31 N ATOM 996 CA PRO A 65 -1.075 10.823 -12.791 1.00 21.35 C ATOM 997 C PRO A 65 -1.857 9.718 -13.492 1.00 35.21 C ATOM 998 O PRO A 65 -2.430 9.932 -14.561 1.00 22.42 O ATOM 999 CB PRO A 65 -1.612 11.042 -11.374 1.00 30.00 C ATOM 1000 CG PRO A 65 -2.586 12.162 -11.507 1.00 64.31 C ATOM 1001 CD PRO A 65 -2.048 13.050 -12.595 1.00 14.32 C ATOM 0 HA PRO A 65 -0.035 10.498 -12.822 1.00 21.35 H new ATOM 0 HB2 PRO A 65 -2.093 10.143 -10.989 1.00 30.00 H new ATOM 0 HB3 PRO A 65 -0.810 11.295 -10.681 1.00 30.00 H new ATOM 0 HG2 PRO A 65 -3.578 11.789 -11.762 1.00 64.31 H new ATOM 0 HG3 PRO A 65 -2.683 12.709 -10.569 1.00 64.31 H new ATOM 0 HD2 PRO A 65 -2.851 13.520 -13.163 1.00 14.32 H new ATOM 0 HD3 PRO A 65 -1.431 13.853 -12.190 1.00 14.32 H new ATOM 1009 N TYR A 66 -1.879 8.537 -12.884 1.00 23.02 N ATOM 1010 CA TYR A 66 -2.590 7.398 -13.451 1.00 62.35 C ATOM 1011 C TYR A 66 -4.079 7.698 -13.588 1.00 14.22 C ATOM 1012 O TYR A 66 -4.567 8.710 -13.086 1.00 63.24 O ATOM 1013 CB TYR A 66 -2.386 6.157 -12.580 1.00 51.03 C ATOM 1014 CG TYR A 66 -3.020 6.267 -11.212 1.00 2.31 C ATOM 1015 CD1 TYR A 66 -4.328 5.852 -10.995 1.00 3.14 C ATOM 1016 CD2 TYR A 66 -2.310 6.786 -10.136 1.00 21.11 C ATOM 1017 CE1 TYR A 66 -4.911 5.952 -9.746 1.00 63.13 C ATOM 1018 CE2 TYR A 66 -2.884 6.888 -8.884 1.00 13.04 C ATOM 1019 CZ TYR A 66 -4.185 6.470 -8.694 1.00 51.20 C ATOM 1020 OH TYR A 66 -4.762 6.570 -7.449 1.00 22.14 O ATOM 0 H TYR A 66 -1.412 8.344 -11.998 1.00 23.02 H new ATOM 0 HA TYR A 66 -2.184 7.207 -14.444 1.00 62.35 H new ATOM 0 HB2 TYR A 66 -2.800 5.290 -13.095 1.00 51.03 H new ATOM 0 HB3 TYR A 66 -1.317 5.977 -12.463 1.00 51.03 H new ATOM 0 HD1 TYR A 66 -4.899 5.444 -11.816 1.00 3.14 H new ATOM 0 HD2 TYR A 66 -1.292 7.115 -10.281 1.00 21.11 H new ATOM 0 HE1 TYR A 66 -5.930 5.626 -9.595 1.00 63.13 H new ATOM 0 HE2 TYR A 66 -2.318 7.293 -8.058 1.00 13.04 H new ATOM 0 HH TYR A 66 -4.117 6.954 -6.819 1.00 22.14 H new TER 1030 TYR A 66