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= -0.0877 (180deg=-1.23) USER MOD Single : A 8 TYR OH : rot 180:sc= -0.0135 USER MOD Single : A 9 TYR OH : rot -14:sc= -1.98! USER MOD Single : A 12 HIS : no HD1:sc= -0.591 X(o=-0.59,f=-0.44) 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= -0.16 USER MOD Single : A 28 THR OG1 : rot 37:sc= 0.138 USER MOD Single : A 30 THR OG1 : rot 180:sc= 0 USER MOD Single : A 32 THR OG1 : rot 180:sc= 0 USER MOD Single : A 36 HIS : no HD1:sc= -0.111 X(o=-0.11,f=0.0088) USER MOD Single : A 43 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 45 GLN :FLIP amide:sc= -0.064 F(o=-0.8,f=-0.064) USER MOD Single : A 46 ASN : amide:sc=-0.00205 X(o=-0.002,f=0) USER MOD Single : A 48 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 52 THR OG1 : rot 122:sc= -0.671 USER MOD Single : A 53 ASN : amide:sc= -1.26 K(o=-1.3,f=-6.9!) 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 3.124 -0.528 -0.005 1.00 4.35 N ATOM 2 CA ALA A 1 3.618 -0.465 -1.374 1.00 44.15 C ATOM 3 C ALA A 1 2.469 -0.320 -2.366 1.00 62.44 C ATOM 4 O ALA A 1 2.134 -1.247 -3.104 1.00 34.52 O ATOM 5 CB ALA A 1 4.443 -1.703 -1.695 1.00 52.25 C ATOM 0 H1 ALA A 1 3.670 0.126 0.591 1.00 4.35 H new ATOM 0 H2 ALA A 1 2.120 -0.259 0.014 1.00 4.35 H new ATOM 0 H3 ALA A 1 3.230 -1.497 0.358 1.00 4.35 H new ATOM 0 HA ALA A 1 4.254 0.415 -1.465 1.00 44.15 H new ATOM 0 HB1 ALA A 1 4.806 -1.643 -2.721 1.00 52.25 H new ATOM 0 HB2 ALA A 1 5.291 -1.762 -1.013 1.00 52.25 H new ATOM 0 HB3 ALA A 1 3.824 -2.593 -1.581 1.00 52.25 H new ATOM 11 N PRO A 2 1.850 0.869 -2.386 1.00 51.14 N ATOM 12 CA PRO A 2 0.728 1.163 -3.284 1.00 24.44 C ATOM 13 C PRO A 2 1.162 1.254 -4.743 1.00 33.42 C ATOM 14 O PRO A 2 2.353 1.223 -5.049 1.00 42.12 O ATOM 15 CB PRO A 2 0.225 2.521 -2.790 1.00 0.24 C ATOM 16 CG PRO A 2 1.408 3.149 -2.137 1.00 41.13 C ATOM 17 CD PRO A 2 2.197 2.019 -1.535 1.00 41.52 C ATOM 0 HA PRO A 2 -0.029 0.379 -3.261 1.00 24.44 H new ATOM 0 HB2 PRO A 2 -0.142 3.131 -3.615 1.00 0.24 H new ATOM 0 HB3 PRO A 2 -0.600 2.406 -2.087 1.00 0.24 H new ATOM 0 HG2 PRO A 2 2.007 3.700 -2.862 1.00 41.13 H new ATOM 0 HG3 PRO A 2 1.099 3.861 -1.371 1.00 41.13 H new ATOM 0 HD2 PRO A 2 3.268 2.223 -1.552 1.00 41.52 H new ATOM 0 HD3 PRO A 2 1.922 1.846 -0.495 1.00 41.52 H new ATOM 25 N ALA A 3 0.187 1.366 -5.639 1.00 32.11 N ATOM 26 CA ALA A 3 0.468 1.464 -7.066 1.00 23.13 C ATOM 27 C ALA A 3 0.617 2.919 -7.497 1.00 62.12 C ATOM 28 O ALA A 3 -0.242 3.753 -7.209 1.00 64.41 O ATOM 29 CB ALA A 3 -0.631 0.783 -7.868 1.00 45.24 C ATOM 0 H ALA A 3 -0.805 1.391 -5.402 1.00 32.11 H new ATOM 0 HA ALA A 3 1.413 0.956 -7.261 1.00 23.13 H new ATOM 0 HB1 ALA A 3 -0.408 0.864 -8.932 1.00 45.24 H new ATOM 0 HB2 ALA A 3 -0.687 -0.269 -7.588 1.00 45.24 H new ATOM 0 HB3 ALA A 3 -1.586 1.266 -7.660 1.00 45.24 H new ATOM 35 N ARG A 4 1.712 3.217 -8.188 1.00 44.15 N ATOM 36 CA ARG A 4 1.974 4.572 -8.658 1.00 3.32 C ATOM 37 C ARG A 4 2.420 4.566 -10.117 1.00 64.30 C ATOM 38 O ARG A 4 3.354 3.854 -10.489 1.00 32.14 O ATOM 39 CB ARG A 4 3.044 5.238 -7.790 1.00 33.25 C ATOM 40 CG ARG A 4 4.309 4.409 -7.640 1.00 1.12 C ATOM 41 CD ARG A 4 4.502 3.941 -6.206 1.00 2.42 C ATOM 42 NE ARG A 4 5.129 2.624 -6.139 1.00 41.05 N ATOM 43 CZ ARG A 4 5.740 2.154 -5.057 1.00 53.33 C ATOM 44 NH1 ARG A 4 5.805 2.891 -3.957 1.00 31.33 N ATOM 45 NH2 ARG A 4 6.286 0.945 -5.075 1.00 4.44 N ATOM 0 H ARG A 4 2.432 2.538 -8.435 1.00 44.15 H new ATOM 0 HA ARG A 4 1.047 5.141 -8.582 1.00 3.32 H new ATOM 0 HB2 ARG A 4 3.302 6.204 -8.224 1.00 33.25 H new ATOM 0 HB3 ARG A 4 2.628 5.433 -6.801 1.00 33.25 H new ATOM 0 HG2 ARG A 4 4.260 3.545 -8.302 1.00 1.12 H new ATOM 0 HG3 ARG A 4 5.171 4.999 -7.950 1.00 1.12 H new ATOM 0 HD2 ARG A 4 5.117 4.663 -5.669 1.00 2.42 H new ATOM 0 HD3 ARG A 4 3.536 3.908 -5.702 1.00 2.42 H new ATOM 0 HE ARG A 4 5.096 2.032 -6.969 1.00 41.05 H new ATOM 0 HH11 ARG A 4 5.385 3.821 -3.940 1.00 31.33 H new ATOM 0 HH12 ARG A 4 6.275 2.528 -3.127 1.00 31.33 H new ATOM 0 HH21 ARG A 4 6.237 0.376 -5.920 1.00 4.44 H new ATOM 0 HH22 ARG A 4 6.755 0.585 -4.244 1.00 4.44 H new ATOM 59 N PHE A 5 1.747 5.363 -10.940 1.00 34.51 N ATOM 60 CA PHE A 5 2.072 5.447 -12.359 1.00 2.52 C ATOM 61 C PHE A 5 1.959 6.885 -12.858 1.00 11.14 C ATOM 62 O PHE A 5 1.420 7.753 -12.170 1.00 21.44 O ATOM 63 CB PHE A 5 1.147 4.539 -13.171 1.00 51.34 C ATOM 64 CG PHE A 5 1.608 3.111 -13.229 1.00 0.01 C ATOM 65 CD1 PHE A 5 1.379 2.252 -12.166 1.00 2.10 C ATOM 66 CD2 PHE A 5 2.270 2.627 -14.346 1.00 13.21 C ATOM 67 CE1 PHE A 5 1.803 0.938 -12.216 1.00 62.41 C ATOM 68 CE2 PHE A 5 2.696 1.313 -14.402 1.00 14.41 C ATOM 69 CZ PHE A 5 2.461 0.467 -13.336 1.00 1.31 C ATOM 0 H PHE A 5 0.973 5.960 -10.649 1.00 34.51 H new ATOM 0 HA PHE A 5 3.102 5.115 -12.491 1.00 2.52 H new ATOM 0 HB2 PHE A 5 0.147 4.572 -12.738 1.00 51.34 H new ATOM 0 HB3 PHE A 5 1.068 4.928 -14.186 1.00 51.34 H new ATOM 0 HD1 PHE A 5 0.863 2.614 -11.289 1.00 2.10 H new ATOM 0 HD2 PHE A 5 2.455 3.284 -15.183 1.00 13.21 H new ATOM 0 HE1 PHE A 5 1.620 0.279 -11.380 1.00 62.41 H new ATOM 0 HE2 PHE A 5 3.212 0.949 -15.278 1.00 14.41 H new ATOM 0 HZ PHE A 5 2.791 -0.561 -13.378 1.00 1.31 H new ATOM 79 N CYS A 6 2.471 7.130 -14.059 1.00 3.21 N ATOM 80 CA CYS A 6 2.430 8.462 -14.651 1.00 73.44 C ATOM 81 C CYS A 6 2.102 8.385 -16.140 1.00 31.42 C ATOM 82 O CYS A 6 2.454 7.417 -16.815 1.00 14.20 O ATOM 83 CB CYS A 6 3.768 9.175 -14.449 1.00 61.30 C ATOM 84 SG CYS A 6 4.032 9.793 -12.756 1.00 44.31 S ATOM 0 H CYS A 6 2.919 6.423 -14.642 1.00 3.21 H new ATOM 0 HA CYS A 6 1.645 9.030 -14.152 1.00 73.44 H new ATOM 0 HB2 CYS A 6 4.576 8.489 -14.704 1.00 61.30 H new ATOM 0 HB3 CYS A 6 3.830 10.012 -15.144 1.00 61.30 H new ATOM 89 N VAL A 7 1.426 9.412 -16.645 1.00 72.40 N ATOM 90 CA VAL A 7 1.051 9.462 -18.053 1.00 63.22 C ATOM 91 C VAL A 7 1.383 10.820 -18.662 1.00 71.40 C ATOM 92 O VAL A 7 1.258 11.853 -18.005 1.00 1.40 O ATOM 93 CB VAL A 7 -0.450 9.178 -18.245 1.00 55.41 C ATOM 94 CG1 VAL A 7 -0.745 7.700 -18.042 1.00 53.01 C ATOM 95 CG2 VAL A 7 -1.279 10.031 -17.296 1.00 24.14 C ATOM 0 H VAL A 7 1.127 10.221 -16.100 1.00 72.40 H new ATOM 0 HA VAL A 7 1.627 8.689 -18.561 1.00 63.22 H new ATOM 0 HB VAL A 7 -0.724 9.441 -19.267 1.00 55.41 H new ATOM 0 HG11 VAL A 7 -1.811 7.519 -18.182 1.00 53.01 H new ATOM 0 HG12 VAL A 7 -0.179 7.113 -18.766 1.00 53.01 H new ATOM 0 HG13 VAL A 7 -0.457 7.407 -17.033 1.00 53.01 H new ATOM 0 HG21 VAL A 7 -2.337 9.817 -17.445 1.00 24.14 H new ATOM 0 HG22 VAL A 7 -1.004 9.802 -16.266 1.00 24.14 H new ATOM 0 HG23 VAL A 7 -1.090 11.086 -17.496 1.00 24.14 H new ATOM 105 N TYR A 8 1.805 10.810 -19.921 1.00 64.33 N ATOM 106 CA TYR A 8 2.157 12.041 -20.619 1.00 61.41 C ATOM 107 C TYR A 8 1.157 12.341 -21.732 1.00 22.04 C ATOM 108 O TYR A 8 0.789 11.458 -22.506 1.00 64.35 O ATOM 109 CB TYR A 8 3.568 11.937 -21.201 1.00 30.42 C ATOM 110 CG TYR A 8 4.418 13.162 -20.952 1.00 14.34 C ATOM 111 CD1 TYR A 8 4.590 13.662 -19.667 1.00 1.43 C ATOM 112 CD2 TYR A 8 5.047 13.821 -22.001 1.00 32.23 C ATOM 113 CE1 TYR A 8 5.365 14.782 -19.434 1.00 52.42 C ATOM 114 CE2 TYR A 8 5.824 14.940 -21.777 1.00 45.45 C ATOM 115 CZ TYR A 8 5.980 15.418 -20.493 1.00 23.53 C ATOM 116 OH TYR A 8 6.753 16.533 -20.266 1.00 50.43 O ATOM 0 H TYR A 8 1.912 9.963 -20.479 1.00 64.33 H new ATOM 0 HA TYR A 8 2.128 12.858 -19.898 1.00 61.41 H new ATOM 0 HB2 TYR A 8 4.065 11.067 -20.772 1.00 30.42 H new ATOM 0 HB3 TYR A 8 3.497 11.767 -22.275 1.00 30.42 H new ATOM 0 HD1 TYR A 8 4.110 13.167 -18.836 1.00 1.43 H new ATOM 0 HD2 TYR A 8 4.926 13.452 -23.009 1.00 32.23 H new ATOM 0 HE1 TYR A 8 5.489 15.157 -18.429 1.00 52.42 H new ATOM 0 HE2 TYR A 8 6.308 15.439 -22.604 1.00 45.45 H new ATOM 0 HH TYR A 8 7.115 16.859 -21.116 1.00 50.43 H new ATOM 126 N TYR A 9 0.722 13.594 -21.804 1.00 72.20 N ATOM 127 CA TYR A 9 -0.237 14.012 -22.820 1.00 2.32 C ATOM 128 C TYR A 9 0.317 15.168 -23.648 1.00 35.10 C ATOM 129 O TYR A 9 1.427 15.642 -23.409 1.00 25.40 O ATOM 130 CB TYR A 9 -1.557 14.425 -22.166 1.00 62.22 C ATOM 131 CG TYR A 9 -2.422 13.254 -21.757 1.00 41.14 C ATOM 132 CD1 TYR A 9 -2.190 12.575 -20.568 1.00 24.11 C ATOM 133 CD2 TYR A 9 -3.473 12.828 -22.561 1.00 24.24 C ATOM 134 CE1 TYR A 9 -2.977 11.504 -20.191 1.00 51.40 C ATOM 135 CE2 TYR A 9 -4.266 11.759 -22.191 1.00 53.10 C ATOM 136 CZ TYR A 9 -4.014 11.100 -21.006 1.00 12.43 C ATOM 137 OH TYR A 9 -4.802 10.035 -20.633 1.00 41.31 O ATOM 0 H TYR A 9 1.018 14.338 -21.172 1.00 72.20 H new ATOM 0 HA TYR A 9 -0.417 13.166 -23.484 1.00 2.32 H new ATOM 0 HB2 TYR A 9 -1.343 15.032 -21.287 1.00 62.22 H new ATOM 0 HB3 TYR A 9 -2.115 15.054 -22.859 1.00 62.22 H new ATOM 0 HD1 TYR A 9 -1.380 12.890 -19.927 1.00 24.11 H new ATOM 0 HD2 TYR A 9 -3.673 13.341 -23.490 1.00 24.24 H new ATOM 0 HE1 TYR A 9 -2.781 10.986 -19.264 1.00 51.40 H new ATOM 0 HE2 TYR A 9 -5.079 11.441 -22.827 1.00 53.10 H new ATOM 0 HH TYR A 9 -4.368 9.547 -19.902 1.00 41.31 H new ATOM 147 N ASP A 10 -0.467 15.617 -24.622 1.00 40.02 N ATOM 148 CA ASP A 10 -0.058 16.718 -25.486 1.00 41.50 C ATOM 149 C ASP A 10 -1.067 17.861 -25.425 1.00 73.41 C ATOM 150 O ASP A 10 -2.249 17.645 -25.158 1.00 24.04 O ATOM 151 CB ASP A 10 0.096 16.234 -26.928 1.00 72.44 C ATOM 152 CG ASP A 10 1.473 16.522 -27.492 1.00 61.15 C ATOM 153 OD1 ASP A 10 2.456 16.441 -26.727 1.00 1.32 O ATOM 154 OD2 ASP A 10 1.568 16.829 -28.699 1.00 40.14 O ATOM 0 H ASP A 10 -1.389 15.235 -24.833 1.00 40.02 H new ATOM 0 HA ASP A 10 0.904 17.087 -25.131 1.00 41.50 H new ATOM 0 HB2 ASP A 10 -0.094 15.161 -26.970 1.00 72.44 H new ATOM 0 HB3 ASP A 10 -0.657 16.716 -27.552 1.00 72.44 H new ATOM 159 N GLY A 11 -0.593 19.077 -25.674 1.00 44.43 N ATOM 160 CA GLY A 11 -1.466 20.236 -25.642 1.00 34.35 C ATOM 161 C GLY A 11 -2.702 20.054 -26.500 1.00 73.01 C ATOM 162 O GLY A 11 -2.637 20.160 -27.725 1.00 53.22 O ATOM 0 H GLY A 11 0.381 19.281 -25.898 1.00 44.43 H new ATOM 0 HA2 GLY A 11 -1.767 20.432 -24.613 1.00 34.35 H new ATOM 0 HA3 GLY A 11 -0.915 21.112 -25.985 1.00 34.35 H new ATOM 166 N HIS A 12 -3.832 19.777 -25.857 1.00 14.50 N ATOM 167 CA HIS A 12 -5.089 19.579 -26.570 1.00 51.23 C ATOM 168 C HIS A 12 -6.258 19.480 -25.595 1.00 1.34 C ATOM 169 O HIS A 12 -6.214 18.711 -24.633 1.00 53.52 O ATOM 170 CB HIS A 12 -5.019 18.316 -27.429 1.00 44.55 C ATOM 171 CG HIS A 12 -4.785 18.593 -28.883 1.00 2.13 C ATOM 172 ND1 HIS A 12 -3.884 17.884 -29.648 1.00 61.44 N ATOM 173 CD2 HIS A 12 -5.342 19.507 -29.711 1.00 0.53 C ATOM 174 CE1 HIS A 12 -3.896 18.351 -30.884 1.00 62.41 C ATOM 175 NE2 HIS A 12 -4.773 19.336 -30.949 1.00 4.34 N ATOM 0 H HIS A 12 -3.903 19.685 -24.844 1.00 14.50 H new ATOM 0 HA HIS A 12 -5.250 20.442 -27.217 1.00 51.23 H new ATOM 0 HB2 HIS A 12 -4.219 17.677 -27.056 1.00 44.55 H new ATOM 0 HB3 HIS A 12 -5.950 17.759 -27.319 1.00 44.55 H new ATOM 0 HD2 HIS A 12 -6.094 20.236 -29.447 1.00 0.53 H new ATOM 0 HE1 HIS A 12 -3.291 17.989 -31.702 1.00 62.41 H new ATOM 0 HE2 HIS A 12 -4.992 19.881 -31.783 1.00 4.34 H new ATOM 183 N LEU A 13 -7.301 20.263 -25.847 1.00 50.03 N ATOM 184 CA LEU A 13 -8.482 20.264 -24.991 1.00 1.32 C ATOM 185 C LEU A 13 -8.989 18.844 -24.760 1.00 50.34 C ATOM 186 O LEU A 13 -8.671 17.917 -25.505 1.00 72.11 O ATOM 187 CB LEU A 13 -9.588 21.118 -25.614 1.00 65.04 C ATOM 188 CG LEU A 13 -9.782 22.510 -25.011 1.00 62.43 C ATOM 189 CD1 LEU A 13 -8.463 23.267 -24.980 1.00 73.23 C ATOM 190 CD2 LEU A 13 -10.828 23.289 -25.795 1.00 32.15 C ATOM 0 H LEU A 13 -7.353 20.906 -26.637 1.00 50.03 H new ATOM 0 HA LEU A 13 -8.201 20.691 -24.028 1.00 1.32 H new ATOM 0 HB2 LEU A 13 -9.377 21.231 -26.677 1.00 65.04 H new ATOM 0 HB3 LEU A 13 -10.529 20.574 -25.532 1.00 65.04 H new ATOM 0 HG LEU A 13 -10.135 22.395 -23.986 1.00 62.43 H new ATOM 0 HD11 LEU A 13 -8.621 24.255 -24.548 1.00 73.23 H new ATOM 0 HD12 LEU A 13 -7.742 22.717 -24.375 1.00 73.23 H new ATOM 0 HD13 LEU A 13 -8.080 23.372 -25.995 1.00 73.23 H new ATOM 0 HD21 LEU A 13 -10.953 24.277 -25.352 1.00 32.15 H new ATOM 0 HD22 LEU A 13 -10.503 23.394 -26.830 1.00 32.15 H new ATOM 0 HD23 LEU A 13 -11.778 22.755 -25.765 1.00 32.15 H new ATOM 202 N PRO A 14 -9.799 18.669 -23.705 1.00 64.35 N ATOM 203 CA PRO A 14 -10.369 17.365 -23.354 1.00 54.01 C ATOM 204 C PRO A 14 -11.418 16.901 -24.360 1.00 4.13 C ATOM 205 O PRO A 14 -11.882 15.763 -24.306 1.00 65.42 O ATOM 206 CB PRO A 14 -11.013 17.616 -21.988 1.00 52.32 C ATOM 207 CG PRO A 14 -11.310 19.076 -21.972 1.00 73.02 C ATOM 208 CD PRO A 14 -10.219 19.729 -22.775 1.00 15.42 C ATOM 0 HA PRO A 14 -9.614 16.579 -23.347 1.00 54.01 H new ATOM 0 HB2 PRO A 14 -11.921 17.026 -21.864 1.00 52.32 H new ATOM 0 HB3 PRO A 14 -10.340 17.340 -21.176 1.00 52.32 H new ATOM 0 HG2 PRO A 14 -12.289 19.280 -22.406 1.00 73.02 H new ATOM 0 HG3 PRO A 14 -11.327 19.460 -20.952 1.00 73.02 H new ATOM 0 HD2 PRO A 14 -10.583 20.609 -23.306 1.00 15.42 H new ATOM 0 HD3 PRO A 14 -9.395 20.057 -22.141 1.00 15.42 H new ATOM 216 N ALA A 15 -11.786 17.790 -25.276 1.00 41.23 N ATOM 217 CA ALA A 15 -12.777 17.470 -26.296 1.00 15.43 C ATOM 218 C ALA A 15 -12.202 16.524 -27.344 1.00 44.40 C ATOM 219 O ALA A 15 -12.891 15.630 -27.835 1.00 33.35 O ATOM 220 CB ALA A 15 -13.287 18.744 -26.954 1.00 71.22 C ATOM 0 H ALA A 15 -11.413 18.738 -25.333 1.00 41.23 H new ATOM 0 HA ALA A 15 -13.612 16.966 -25.810 1.00 15.43 H new ATOM 0 HB1 ALA A 15 -14.026 18.490 -27.714 1.00 71.22 H new ATOM 0 HB2 ALA A 15 -13.746 19.384 -26.200 1.00 71.22 H new ATOM 0 HB3 ALA A 15 -12.454 19.271 -27.420 1.00 71.22 H new ATOM 226 N THR A 16 -10.933 16.728 -27.685 1.00 22.11 N ATOM 227 CA THR A 16 -10.265 15.895 -28.676 1.00 63.55 C ATOM 228 C THR A 16 -8.844 15.555 -28.242 1.00 45.30 C ATOM 229 O THR A 16 -7.969 15.319 -29.076 1.00 12.11 O ATOM 230 CB THR A 16 -10.218 16.586 -30.052 1.00 3.41 C ATOM 231 OG1 THR A 16 -11.353 17.445 -30.208 1.00 32.33 O ATOM 232 CG2 THR A 16 -10.194 15.559 -31.174 1.00 12.32 C ATOM 0 H THR A 16 -10.348 17.463 -27.289 1.00 22.11 H new ATOM 0 HA THR A 16 -10.846 14.976 -28.759 1.00 63.55 H new ATOM 0 HB THR A 16 -9.305 17.179 -30.105 1.00 3.41 H new ATOM 0 HG1 THR A 16 -11.315 17.882 -31.085 1.00 32.33 H new ATOM 0 HG21 THR A 16 -10.161 16.071 -32.136 1.00 12.32 H new ATOM 0 HG22 THR A 16 -9.313 14.926 -31.069 1.00 12.32 H new ATOM 0 HG23 THR A 16 -11.091 14.942 -31.122 1.00 12.32 H new ATOM 240 N ARG A 17 -8.620 15.532 -26.932 1.00 43.22 N ATOM 241 CA ARG A 17 -7.303 15.222 -26.387 1.00 54.14 C ATOM 242 C ARG A 17 -6.766 13.919 -26.972 1.00 51.24 C ATOM 243 O ARG A 17 -7.519 13.118 -27.526 1.00 31.33 O ATOM 244 CB ARG A 17 -7.370 15.120 -24.863 1.00 34.55 C ATOM 245 CG ARG A 17 -6.096 15.567 -24.165 1.00 50.15 C ATOM 246 CD ARG A 17 -6.348 15.899 -22.703 1.00 31.20 C ATOM 247 NE ARG A 17 -5.751 17.176 -22.321 1.00 34.13 N ATOM 248 CZ ARG A 17 -5.705 17.620 -21.070 1.00 0.13 C ATOM 249 NH1 ARG A 17 -6.217 16.894 -20.085 1.00 42.04 N ATOM 250 NH2 ARG A 17 -5.145 18.793 -20.801 1.00 71.22 N ATOM 0 H ARG A 17 -9.333 15.724 -26.228 1.00 43.22 H new ATOM 0 HA ARG A 17 -6.624 16.030 -26.661 1.00 54.14 H new ATOM 0 HB2 ARG A 17 -8.202 15.725 -24.503 1.00 34.55 H new ATOM 0 HB3 ARG A 17 -7.583 14.088 -24.586 1.00 34.55 H new ATOM 0 HG2 ARG A 17 -5.346 14.780 -24.236 1.00 50.15 H new ATOM 0 HG3 ARG A 17 -5.689 16.442 -24.673 1.00 50.15 H new ATOM 0 HD2 ARG A 17 -7.422 15.931 -22.518 1.00 31.20 H new ATOM 0 HD3 ARG A 17 -5.940 15.106 -22.076 1.00 31.20 H new ATOM 0 HE ARG A 17 -5.347 17.758 -23.055 1.00 34.13 H new ATOM 0 HH11 ARG A 17 -6.648 15.992 -20.287 1.00 42.04 H new ATOM 0 HH12 ARG A 17 -6.180 17.238 -19.125 1.00 42.04 H new ATOM 0 HH21 ARG A 17 -4.750 19.354 -21.555 1.00 71.22 H new ATOM 0 HH22 ARG A 17 -5.110 19.133 -19.840 1.00 71.22 H new ATOM 264 N VAL A 18 -5.459 13.715 -26.847 1.00 24.13 N ATOM 265 CA VAL A 18 -4.820 12.510 -27.362 1.00 72.41 C ATOM 266 C VAL A 18 -3.688 12.054 -26.449 1.00 4.32 C ATOM 267 O VAL A 18 -2.700 12.767 -26.263 1.00 73.00 O ATOM 268 CB VAL A 18 -4.263 12.732 -28.781 1.00 11.44 C ATOM 269 CG1 VAL A 18 -3.746 11.426 -29.363 1.00 34.41 C ATOM 270 CG2 VAL A 18 -5.327 13.343 -29.681 1.00 22.05 C ATOM 0 H VAL A 18 -4.821 14.369 -26.393 1.00 24.13 H new ATOM 0 HA VAL A 18 -5.587 11.737 -27.398 1.00 72.41 H new ATOM 0 HB VAL A 18 -3.427 13.429 -28.719 1.00 11.44 H new ATOM 0 HG11 VAL A 18 -3.357 11.603 -30.366 1.00 34.41 H new ATOM 0 HG12 VAL A 18 -2.951 11.035 -28.729 1.00 34.41 H new ATOM 0 HG13 VAL A 18 -4.560 10.702 -29.412 1.00 34.41 H new ATOM 0 HG21 VAL A 18 -4.917 13.493 -30.680 1.00 22.05 H new ATOM 0 HG22 VAL A 18 -6.184 12.672 -29.738 1.00 22.05 H new ATOM 0 HG23 VAL A 18 -5.643 14.302 -29.271 1.00 22.05 H new ATOM 280 N LEU A 19 -3.836 10.863 -25.881 1.00 30.42 N ATOM 281 CA LEU A 19 -2.825 10.310 -24.986 1.00 42.31 C ATOM 282 C LEU A 19 -1.560 9.943 -25.755 1.00 22.40 C ATOM 283 O LEU A 19 -1.624 9.314 -26.812 1.00 64.42 O ATOM 284 CB LEU A 19 -3.373 9.078 -24.264 1.00 43.10 C ATOM 285 CG LEU A 19 -2.398 8.357 -23.332 1.00 42.51 C ATOM 286 CD1 LEU A 19 -3.100 7.930 -22.052 1.00 43.15 C ATOM 287 CD2 LEU A 19 -1.781 7.155 -24.032 1.00 34.23 C ATOM 0 H LEU A 19 -4.647 10.261 -26.024 1.00 30.42 H new ATOM 0 HA LEU A 19 -2.572 11.072 -24.249 1.00 42.31 H new ATOM 0 HB2 LEU A 19 -4.244 9.380 -23.683 1.00 43.10 H new ATOM 0 HB3 LEU A 19 -3.721 8.367 -25.014 1.00 43.10 H new ATOM 0 HG LEU A 19 -1.598 9.049 -23.069 1.00 42.51 H new ATOM 0 HD11 LEU A 19 -2.391 7.419 -21.401 1.00 43.15 H new ATOM 0 HD12 LEU A 19 -3.492 8.809 -21.541 1.00 43.15 H new ATOM 0 HD13 LEU A 19 -3.921 7.255 -22.295 1.00 43.15 H new ATOM 0 HD21 LEU A 19 -1.090 6.654 -23.354 1.00 34.23 H new ATOM 0 HD22 LEU A 19 -2.569 6.461 -24.325 1.00 34.23 H new ATOM 0 HD23 LEU A 19 -1.242 7.488 -24.919 1.00 34.23 H new ATOM 299 N LEU A 20 -0.411 10.337 -25.217 1.00 31.22 N ATOM 300 CA LEU A 20 0.870 10.047 -25.851 1.00 23.21 C ATOM 301 C LEU A 20 1.298 8.608 -25.582 1.00 32.43 C ATOM 302 O LEU A 20 1.440 7.809 -26.507 1.00 21.31 O ATOM 303 CB LEU A 20 1.943 11.013 -25.344 1.00 33.31 C ATOM 304 CG LEU A 20 1.635 12.502 -25.506 1.00 24.23 C ATOM 305 CD1 LEU A 20 2.632 13.341 -24.722 1.00 25.13 C ATOM 306 CD2 LEU A 20 1.647 12.892 -26.976 1.00 41.15 C ATOM 0 H LEU A 20 -0.340 10.858 -24.343 1.00 31.22 H new ATOM 0 HA LEU A 20 0.752 10.176 -26.927 1.00 23.21 H new ATOM 0 HB2 LEU A 20 2.115 10.811 -24.287 1.00 33.31 H new ATOM 0 HB3 LEU A 20 2.875 10.796 -25.866 1.00 33.31 H new ATOM 0 HG LEU A 20 0.638 12.693 -25.108 1.00 24.23 H new ATOM 0 HD11 LEU A 20 2.397 14.398 -24.849 1.00 25.13 H new ATOM 0 HD12 LEU A 20 2.575 13.081 -23.665 1.00 25.13 H new ATOM 0 HD13 LEU A 20 3.640 13.146 -25.089 1.00 25.13 H new ATOM 0 HD21 LEU A 20 1.426 13.955 -27.072 1.00 41.15 H new ATOM 0 HD22 LEU A 20 2.630 12.686 -27.399 1.00 41.15 H new ATOM 0 HD23 LEU A 20 0.893 12.315 -27.512 1.00 41.15 H new ATOM 318 N MET A 21 1.499 8.284 -24.308 1.00 70.25 N ATOM 319 CA MET A 21 1.907 6.939 -23.918 1.00 13.35 C ATOM 320 C MET A 21 2.048 6.833 -22.402 1.00 74.04 C ATOM 321 O MET A 21 2.262 7.834 -21.718 1.00 31.54 O ATOM 322 CB MET A 21 3.229 6.568 -24.592 1.00 32.13 C ATOM 323 CG MET A 21 3.110 5.403 -25.561 1.00 45.22 C ATOM 324 SD MET A 21 4.561 4.332 -25.541 1.00 0.33 S ATOM 325 CE MET A 21 3.891 2.840 -26.271 1.00 12.41 C ATOM 0 H MET A 21 1.386 8.933 -23.530 1.00 70.25 H new ATOM 0 HA MET A 21 1.134 6.243 -24.244 1.00 13.35 H new ATOM 0 HB2 MET A 21 3.611 7.437 -25.127 1.00 32.13 H new ATOM 0 HB3 MET A 21 3.961 6.318 -23.824 1.00 32.13 H new ATOM 0 HG2 MET A 21 2.226 4.816 -25.311 1.00 45.22 H new ATOM 0 HG3 MET A 21 2.961 5.788 -26.570 1.00 45.22 H new ATOM 0 HE1 MET A 21 4.671 2.080 -26.327 1.00 12.41 H new ATOM 0 HE2 MET A 21 3.069 2.472 -25.657 1.00 12.41 H new ATOM 0 HE3 MET A 21 3.525 3.059 -27.274 1.00 12.41 H new ATOM 335 N TYR A 22 1.926 5.615 -21.886 1.00 14.55 N ATOM 336 CA TYR A 22 2.037 5.379 -20.451 1.00 13.50 C ATOM 337 C TYR A 22 3.494 5.195 -20.040 1.00 64.25 C ATOM 338 O TYR A 22 4.287 4.600 -20.771 1.00 32.52 O ATOM 339 CB TYR A 22 1.223 4.148 -20.051 1.00 33.21 C ATOM 340 CG TYR A 22 -0.273 4.358 -20.130 1.00 45.24 C ATOM 341 CD1 TYR A 22 -0.942 4.271 -21.345 1.00 34.23 C ATOM 342 CD2 TYR A 22 -1.015 4.645 -18.992 1.00 12.31 C ATOM 343 CE1 TYR A 22 -2.308 4.463 -21.422 1.00 73.04 C ATOM 344 CE2 TYR A 22 -2.381 4.837 -19.060 1.00 15.50 C ATOM 345 CZ TYR A 22 -3.023 4.746 -20.277 1.00 74.54 C ATOM 346 OH TYR A 22 -4.384 4.938 -20.350 1.00 30.35 O ATOM 0 H TYR A 22 1.750 4.776 -22.439 1.00 14.55 H new ATOM 0 HA TYR A 22 1.640 6.252 -19.933 1.00 13.50 H new ATOM 0 HB2 TYR A 22 1.499 3.315 -20.697 1.00 33.21 H new ATOM 0 HB3 TYR A 22 1.488 3.863 -19.033 1.00 33.21 H new ATOM 0 HD1 TYR A 22 -0.385 4.050 -22.243 1.00 34.23 H new ATOM 0 HD2 TYR A 22 -0.515 4.719 -18.037 1.00 12.31 H new ATOM 0 HE1 TYR A 22 -2.813 4.392 -22.374 1.00 73.04 H new ATOM 0 HE2 TYR A 22 -2.943 5.057 -18.165 1.00 15.50 H new ATOM 0 HH TYR A 22 -4.736 5.127 -19.455 1.00 30.35 H new ATOM 356 N VAL A 23 3.841 5.710 -18.865 1.00 62.30 N ATOM 357 CA VAL A 23 5.203 5.601 -18.354 1.00 55.05 C ATOM 358 C VAL A 23 5.223 4.940 -16.981 1.00 22.11 C ATOM 359 O VAL A 23 4.737 5.505 -16.001 1.00 52.03 O ATOM 360 CB VAL A 23 5.877 6.982 -18.257 1.00 45.15 C ATOM 361 CG1 VAL A 23 7.318 6.841 -17.790 1.00 10.02 C ATOM 362 CG2 VAL A 23 5.811 7.702 -19.596 1.00 12.33 C ATOM 0 H VAL A 23 3.198 6.207 -18.249 1.00 62.30 H new ATOM 0 HA VAL A 23 5.758 4.983 -19.059 1.00 55.05 H new ATOM 0 HB VAL A 23 5.338 7.579 -17.522 1.00 45.15 H new ATOM 0 HG11 VAL A 23 7.778 7.827 -17.727 1.00 10.02 H new ATOM 0 HG12 VAL A 23 7.338 6.368 -16.808 1.00 10.02 H new ATOM 0 HG13 VAL A 23 7.872 6.226 -18.500 1.00 10.02 H new ATOM 0 HG21 VAL A 23 6.292 8.676 -19.509 1.00 12.33 H new ATOM 0 HG22 VAL A 23 6.325 7.110 -20.353 1.00 12.33 H new ATOM 0 HG23 VAL A 23 4.769 7.836 -19.886 1.00 12.33 H new ATOM 372 N ARG A 24 5.790 3.740 -16.917 1.00 20.54 N ATOM 373 CA ARG A 24 5.874 3.000 -15.663 1.00 12.43 C ATOM 374 C ARG A 24 6.971 3.570 -14.768 1.00 63.53 C ATOM 375 O ARG A 24 8.045 3.939 -15.245 1.00 71.52 O ATOM 376 CB ARG A 24 6.141 1.519 -15.936 1.00 52.11 C ATOM 377 CG ARG A 24 5.214 0.915 -16.978 1.00 54.21 C ATOM 378 CD ARG A 24 5.011 -0.574 -16.747 1.00 73.01 C ATOM 379 NE ARG A 24 3.766 -1.055 -17.340 1.00 71.31 N ATOM 380 CZ ARG A 24 3.372 -2.323 -17.294 1.00 14.15 C ATOM 381 NH1 ARG A 24 4.121 -3.232 -16.684 1.00 54.33 N ATOM 382 NH2 ARG A 24 2.226 -2.684 -17.857 1.00 15.33 N ATOM 0 H ARG A 24 6.198 3.259 -17.719 1.00 20.54 H new ATOM 0 HA ARG A 24 4.919 3.100 -15.147 1.00 12.43 H new ATOM 0 HB2 ARG A 24 7.173 1.400 -16.267 1.00 52.11 H new ATOM 0 HB3 ARG A 24 6.039 0.962 -15.004 1.00 52.11 H new ATOM 0 HG2 ARG A 24 4.250 1.424 -16.948 1.00 54.21 H new ATOM 0 HG3 ARG A 24 5.629 1.077 -17.973 1.00 54.21 H new ATOM 0 HD2 ARG A 24 5.851 -1.124 -17.171 1.00 73.01 H new ATOM 0 HD3 ARG A 24 5.005 -0.777 -15.676 1.00 73.01 H new ATOM 0 HE ARG A 24 3.166 -0.381 -17.815 1.00 71.31 H new ATOM 0 HH11 ARG A 24 5.002 -2.958 -16.249 1.00 54.33 H new ATOM 0 HH12 ARG A 24 3.816 -4.205 -16.650 1.00 54.33 H new ATOM 0 HH21 ARG A 24 1.646 -1.988 -18.326 1.00 15.33 H new ATOM 0 HH22 ARG A 24 1.925 -3.658 -17.821 1.00 15.33 H new ATOM 396 N ILE A 25 6.694 3.638 -13.471 1.00 32.23 N ATOM 397 CA ILE A 25 7.657 4.161 -12.511 1.00 4.25 C ATOM 398 C ILE A 25 8.691 3.104 -12.138 1.00 4.35 C ATOM 399 O ILE A 25 8.855 2.767 -10.966 1.00 11.02 O ATOM 400 CB ILE A 25 6.962 4.658 -11.229 1.00 63.11 C ATOM 401 CG1 ILE A 25 5.747 5.518 -11.583 1.00 20.25 C ATOM 402 CG2 ILE A 25 7.940 5.442 -10.366 1.00 73.21 C ATOM 403 CD1 ILE A 25 6.097 6.769 -12.357 1.00 10.21 C ATOM 0 H ILE A 25 5.810 3.337 -13.061 1.00 32.23 H new ATOM 0 HA ILE A 25 8.157 5.001 -12.992 1.00 4.25 H new ATOM 0 HB ILE A 25 6.619 3.794 -10.660 1.00 63.11 H new ATOM 0 HG12 ILE A 25 5.048 4.921 -12.169 1.00 20.25 H new ATOM 0 HG13 ILE A 25 5.232 5.801 -10.665 1.00 20.25 H new ATOM 0 HG21 ILE A 25 7.434 5.786 -9.464 1.00 73.21 H new ATOM 0 HG22 ILE A 25 8.777 4.801 -10.090 1.00 73.21 H new ATOM 0 HG23 ILE A 25 8.310 6.301 -10.925 1.00 73.21 H new ATOM 0 HD11 ILE A 25 5.187 7.329 -12.573 1.00 10.21 H new ATOM 0 HD12 ILE A 25 6.772 7.387 -11.764 1.00 10.21 H new ATOM 0 HD13 ILE A 25 6.585 6.494 -13.292 1.00 10.21 H new ATOM 415 N GLY A 26 9.389 2.586 -13.144 1.00 22.34 N ATOM 416 CA GLY A 26 10.400 1.573 -12.901 1.00 4.42 C ATOM 417 C GLY A 26 11.738 1.930 -13.518 1.00 51.24 C ATOM 418 O GLY A 26 12.791 1.598 -12.974 1.00 21.54 O ATOM 0 H GLY A 26 9.273 2.849 -14.122 1.00 22.34 H new ATOM 0 HA2 GLY A 26 10.523 1.438 -11.827 1.00 4.42 H new ATOM 0 HA3 GLY A 26 10.060 0.620 -13.305 1.00 4.42 H new ATOM 422 N THR A 27 11.698 2.609 -14.661 1.00 64.41 N ATOM 423 CA THR A 27 12.916 3.008 -15.355 1.00 50.22 C ATOM 424 C THR A 27 12.709 4.307 -16.126 1.00 35.01 C ATOM 425 O THR A 27 11.589 4.809 -16.228 1.00 74.01 O ATOM 426 CB THR A 27 13.390 1.915 -16.332 1.00 4.44 C ATOM 427 OG1 THR A 27 14.680 2.253 -16.856 1.00 33.34 O ATOM 428 CG2 THR A 27 12.402 1.745 -17.475 1.00 34.20 C ATOM 0 H THR A 27 10.835 2.894 -15.125 1.00 64.41 H new ATOM 0 HA THR A 27 13.679 3.159 -14.592 1.00 50.22 H new ATOM 0 HB THR A 27 13.455 0.974 -15.786 1.00 4.44 H new ATOM 0 HG1 THR A 27 14.975 1.553 -17.475 1.00 33.34 H new ATOM 0 HG21 THR A 27 12.758 0.968 -18.151 1.00 34.20 H new ATOM 0 HG22 THR A 27 11.429 1.460 -17.075 1.00 34.20 H new ATOM 0 HG23 THR A 27 12.310 2.685 -18.019 1.00 34.20 H new ATOM 436 N THR A 28 13.795 4.848 -16.668 1.00 41.03 N ATOM 437 CA THR A 28 13.732 6.089 -17.430 1.00 2.13 C ATOM 438 C THR A 28 13.651 5.812 -18.927 1.00 15.35 C ATOM 439 O THR A 28 14.498 5.117 -19.486 1.00 0.21 O ATOM 440 CB THR A 28 14.956 6.982 -17.150 1.00 53.23 C ATOM 441 OG1 THR A 28 16.161 6.228 -17.318 1.00 23.01 O ATOM 442 CG2 THR A 28 14.900 7.552 -15.741 1.00 35.52 C ATOM 0 H THR A 28 14.729 4.446 -16.593 1.00 41.03 H new ATOM 0 HA THR A 28 12.830 6.611 -17.111 1.00 2.13 H new ATOM 0 HB THR A 28 14.944 7.809 -17.859 1.00 53.23 H new ATOM 0 HG1 THR A 28 16.056 5.606 -18.068 1.00 23.01 H new ATOM 0 HG21 THR A 28 15.775 8.179 -15.567 1.00 35.52 H new ATOM 0 HG22 THR A 28 13.996 8.150 -15.626 1.00 35.52 H new ATOM 0 HG23 THR A 28 14.889 6.736 -15.019 1.00 35.52 H new ATOM 450 N ALA A 29 12.625 6.361 -19.570 1.00 44.30 N ATOM 451 CA ALA A 29 12.435 6.175 -21.003 1.00 41.42 C ATOM 452 C ALA A 29 12.169 7.506 -21.699 1.00 0.12 C ATOM 453 O ALA A 29 12.035 8.543 -21.048 1.00 53.24 O ATOM 454 CB ALA A 29 11.293 5.204 -21.262 1.00 52.43 C ATOM 0 H ALA A 29 11.913 6.938 -19.121 1.00 44.30 H new ATOM 0 HA ALA A 29 13.353 5.757 -21.415 1.00 41.42 H new ATOM 0 HB1 ALA A 29 11.162 5.074 -22.336 1.00 52.43 H new ATOM 0 HB2 ALA A 29 11.523 4.241 -20.806 1.00 52.43 H new ATOM 0 HB3 ALA A 29 10.374 5.600 -20.830 1.00 52.43 H new ATOM 460 N THR A 30 12.095 7.471 -23.026 1.00 35.53 N ATOM 461 CA THR A 30 11.846 8.674 -23.810 1.00 25.22 C ATOM 462 C THR A 30 10.501 8.598 -24.522 1.00 51.11 C ATOM 463 O THR A 30 10.061 7.521 -24.925 1.00 31.24 O ATOM 464 CB THR A 30 12.955 8.902 -24.854 1.00 43.23 C ATOM 465 OG1 THR A 30 13.825 7.766 -24.902 1.00 70.41 O ATOM 466 CG2 THR A 30 13.761 10.150 -24.524 1.00 73.24 C ATOM 0 H THR A 30 12.204 6.622 -23.580 1.00 35.53 H new ATOM 0 HA THR A 30 11.837 9.511 -23.111 1.00 25.22 H new ATOM 0 HB THR A 30 12.484 9.039 -25.827 1.00 43.23 H new ATOM 0 HG1 THR A 30 14.526 7.919 -25.570 1.00 70.41 H new ATOM 0 HG21 THR A 30 14.538 10.290 -25.275 1.00 73.24 H new ATOM 0 HG22 THR A 30 13.102 11.018 -24.518 1.00 73.24 H new ATOM 0 HG23 THR A 30 14.221 10.037 -23.542 1.00 73.24 H new ATOM 474 N ILE A 31 9.852 9.748 -24.675 1.00 63.31 N ATOM 475 CA ILE A 31 8.557 9.811 -25.341 1.00 63.21 C ATOM 476 C ILE A 31 8.657 10.554 -26.669 1.00 4.34 C ATOM 477 O ILE A 31 9.412 11.519 -26.798 1.00 64.31 O ATOM 478 CB ILE A 31 7.503 10.502 -24.457 1.00 34.22 C ATOM 479 CG1 ILE A 31 7.365 9.768 -23.121 1.00 44.20 C ATOM 480 CG2 ILE A 31 6.163 10.559 -25.176 1.00 62.41 C ATOM 481 CD1 ILE A 31 6.560 10.531 -22.093 1.00 2.14 C ATOM 0 H ILE A 31 10.202 10.648 -24.347 1.00 63.31 H new ATOM 0 HA ILE A 31 8.247 8.783 -25.526 1.00 63.21 H new ATOM 0 HB ILE A 31 7.831 11.522 -24.258 1.00 34.22 H new ATOM 0 HG12 ILE A 31 6.894 8.800 -23.294 1.00 44.20 H new ATOM 0 HG13 ILE A 31 8.359 9.571 -22.719 1.00 44.20 H new ATOM 0 HG21 ILE A 31 5.428 11.050 -24.538 1.00 62.41 H new ATOM 0 HG22 ILE A 31 6.271 11.121 -26.104 1.00 62.41 H new ATOM 0 HG23 ILE A 31 5.828 9.547 -25.402 1.00 62.41 H new ATOM 0 HD11 ILE A 31 6.504 9.951 -21.172 1.00 2.14 H new ATOM 0 HD12 ILE A 31 7.042 11.488 -21.891 1.00 2.14 H new ATOM 0 HD13 ILE A 31 5.554 10.705 -22.475 1.00 2.14 H new ATOM 493 N THR A 32 7.889 10.101 -27.654 1.00 61.33 N ATOM 494 CA THR A 32 7.890 10.723 -28.972 1.00 62.33 C ATOM 495 C THR A 32 6.560 11.412 -29.256 1.00 64.11 C ATOM 496 O THR A 32 5.501 10.789 -29.188 1.00 41.43 O ATOM 497 CB THR A 32 8.167 9.690 -30.081 1.00 32.42 C ATOM 498 OG1 THR A 32 8.941 8.605 -29.557 1.00 72.42 O ATOM 499 CG2 THR A 32 8.906 10.331 -31.246 1.00 31.33 C ATOM 0 H THR A 32 7.258 9.305 -27.564 1.00 61.33 H new ATOM 0 HA THR A 32 8.688 11.466 -28.970 1.00 62.33 H new ATOM 0 HB THR A 32 7.211 9.312 -30.442 1.00 32.42 H new ATOM 0 HG1 THR A 32 9.111 7.952 -30.267 1.00 72.42 H new ATOM 0 HG21 THR A 32 9.090 9.582 -32.016 1.00 31.33 H new ATOM 0 HG22 THR A 32 8.301 11.137 -31.661 1.00 31.33 H new ATOM 0 HG23 THR A 32 9.857 10.734 -30.897 1.00 31.33 H new ATOM 507 N ALA A 33 6.623 12.701 -29.575 1.00 23.43 N ATOM 508 CA ALA A 33 5.424 13.474 -29.872 1.00 33.43 C ATOM 509 C ALA A 33 5.732 14.621 -30.828 1.00 25.23 C ATOM 510 O ALA A 33 6.739 15.313 -30.677 1.00 1.34 O ATOM 511 CB ALA A 33 4.808 14.006 -28.587 1.00 15.25 C ATOM 0 H ALA A 33 7.492 13.231 -29.634 1.00 23.43 H new ATOM 0 HA ALA A 33 4.707 12.813 -30.359 1.00 33.43 H new ATOM 0 HB1 ALA A 33 3.913 14.582 -28.824 1.00 15.25 H new ATOM 0 HB2 ALA A 33 4.542 13.171 -27.938 1.00 15.25 H new ATOM 0 HB3 ALA A 33 5.527 14.647 -28.077 1.00 15.25 H new ATOM 517 N ARG A 34 4.861 14.816 -31.812 1.00 32.33 N ATOM 518 CA ARG A 34 5.042 15.878 -32.794 1.00 0.14 C ATOM 519 C ARG A 34 6.434 15.812 -33.415 1.00 40.32 C ATOM 520 O ARG A 34 7.126 16.824 -33.521 1.00 60.15 O ATOM 521 CB ARG A 34 4.827 17.246 -32.142 1.00 73.44 C ATOM 522 CG ARG A 34 3.372 17.542 -31.815 1.00 43.23 C ATOM 523 CD ARG A 34 3.153 19.023 -31.546 1.00 34.41 C ATOM 524 NE ARG A 34 1.779 19.432 -31.827 1.00 2.13 N ATOM 525 CZ ARG A 34 1.328 19.704 -33.046 1.00 44.52 C ATOM 526 NH1 ARG A 34 2.138 19.611 -34.092 1.00 72.11 N ATOM 527 NH2 ARG A 34 0.065 20.071 -33.221 1.00 61.13 N ATOM 0 H ARG A 34 4.022 14.252 -31.951 1.00 32.33 H new ATOM 0 HA ARG A 34 4.304 15.739 -33.584 1.00 0.14 H new ATOM 0 HB2 ARG A 34 5.415 17.299 -31.226 1.00 73.44 H new ATOM 0 HB3 ARG A 34 5.206 18.021 -32.809 1.00 73.44 H new ATOM 0 HG2 ARG A 34 2.739 17.224 -32.644 1.00 43.23 H new ATOM 0 HG3 ARG A 34 3.069 16.964 -30.942 1.00 43.23 H new ATOM 0 HD2 ARG A 34 3.391 19.242 -30.505 1.00 34.41 H new ATOM 0 HD3 ARG A 34 3.838 19.608 -32.159 1.00 34.41 H new ATOM 0 HE ARG A 34 1.130 19.513 -31.044 1.00 2.13 H new ATOM 0 HH11 ARG A 34 3.110 19.330 -33.961 1.00 72.11 H new ATOM 0 HH12 ARG A 34 1.789 19.820 -35.027 1.00 72.11 H new ATOM 0 HH21 ARG A 34 -0.561 20.144 -32.419 1.00 61.13 H new ATOM 0 HH22 ARG A 34 -0.280 20.280 -34.158 1.00 61.13 H new ATOM 541 N GLY A 35 6.838 14.613 -33.824 1.00 41.30 N ATOM 542 CA GLY A 35 8.145 14.438 -34.429 1.00 64.50 C ATOM 543 C GLY A 35 9.268 14.924 -33.535 1.00 24.25 C ATOM 544 O GLY A 35 10.356 15.249 -34.012 1.00 53.52 O ATOM 0 H GLY A 35 6.284 13.760 -33.747 1.00 41.30 H new ATOM 0 HA2 GLY A 35 8.298 13.383 -34.658 1.00 64.50 H new ATOM 0 HA3 GLY A 35 8.179 14.978 -35.375 1.00 64.50 H new ATOM 548 N HIS A 36 9.006 14.975 -32.232 1.00 53.35 N ATOM 549 CA HIS A 36 10.003 15.427 -31.269 1.00 21.14 C ATOM 550 C HIS A 36 10.187 14.400 -30.155 1.00 73.13 C ATOM 551 O HIS A 36 9.249 13.691 -29.792 1.00 51.00 O ATOM 552 CB HIS A 36 9.594 16.774 -30.673 1.00 51.31 C ATOM 553 CG HIS A 36 9.932 17.943 -31.547 1.00 24.13 C ATOM 554 ND1 HIS A 36 11.217 18.422 -31.699 1.00 35.31 N ATOM 555 CD2 HIS A 36 9.146 18.728 -32.319 1.00 15.45 C ATOM 556 CE1 HIS A 36 11.205 19.452 -32.525 1.00 54.42 C ATOM 557 NE2 HIS A 36 9.960 19.659 -32.916 1.00 31.11 N ATOM 0 H HIS A 36 8.112 14.709 -31.820 1.00 53.35 H new ATOM 0 HA HIS A 36 10.952 15.543 -31.793 1.00 21.14 H new ATOM 0 HB2 HIS A 36 8.520 16.769 -30.487 1.00 51.31 H new ATOM 0 HB3 HIS A 36 10.084 16.899 -29.708 1.00 51.31 H new ATOM 0 HD2 HIS A 36 8.077 18.639 -32.443 1.00 15.45 H new ATOM 0 HE1 HIS A 36 12.067 20.028 -32.829 1.00 54.42 H new ATOM 0 HE2 HIS A 36 9.653 20.391 -33.557 1.00 31.11 H new ATOM 565 N GLU A 37 11.401 14.326 -29.619 1.00 50.12 N ATOM 566 CA GLU A 37 11.707 13.384 -28.549 1.00 14.33 C ATOM 567 C GLU A 37 11.812 14.102 -27.206 1.00 51.22 C ATOM 568 O GLU A 37 12.443 15.154 -27.100 1.00 23.23 O ATOM 569 CB GLU A 37 13.012 12.644 -28.848 1.00 1.35 C ATOM 570 CG GLU A 37 14.250 13.515 -28.711 1.00 61.32 C ATOM 571 CD GLU A 37 15.527 12.771 -29.052 1.00 73.21 C ATOM 572 OE1 GLU A 37 15.596 12.183 -30.152 1.00 1.43 O ATOM 573 OE2 GLU A 37 16.457 12.777 -28.218 1.00 74.34 O ATOM 0 H GLU A 37 12.188 14.907 -29.908 1.00 50.12 H new ATOM 0 HA GLU A 37 10.893 12.661 -28.492 1.00 14.33 H new ATOM 0 HB2 GLU A 37 13.100 11.793 -28.173 1.00 1.35 H new ATOM 0 HB3 GLU A 37 12.969 12.244 -29.861 1.00 1.35 H new ATOM 0 HG2 GLU A 37 14.154 14.382 -29.364 1.00 61.32 H new ATOM 0 HG3 GLU A 37 14.314 13.891 -27.690 1.00 61.32 H new ATOM 580 N PHE A 38 11.188 13.527 -26.184 1.00 24.54 N ATOM 581 CA PHE A 38 11.210 14.111 -24.848 1.00 11.12 C ATOM 582 C PHE A 38 11.562 13.060 -23.800 1.00 24.24 C ATOM 583 O PHE A 38 10.808 12.113 -23.578 1.00 64.00 O ATOM 584 CB PHE A 38 9.853 14.739 -24.521 1.00 24.12 C ATOM 585 CG PHE A 38 9.312 15.604 -25.623 1.00 73.40 C ATOM 586 CD1 PHE A 38 10.026 16.702 -26.074 1.00 53.10 C ATOM 587 CD2 PHE A 38 8.089 15.318 -26.208 1.00 71.35 C ATOM 588 CE1 PHE A 38 9.529 17.500 -27.088 1.00 21.25 C ATOM 589 CE2 PHE A 38 7.587 16.112 -27.223 1.00 24.43 C ATOM 590 CZ PHE A 38 8.309 17.204 -27.663 1.00 61.54 C ATOM 0 H PHE A 38 10.661 12.657 -26.255 1.00 24.54 H new ATOM 0 HA PHE A 38 11.976 14.886 -24.830 1.00 11.12 H new ATOM 0 HB2 PHE A 38 9.136 13.946 -24.308 1.00 24.12 H new ATOM 0 HB3 PHE A 38 9.947 15.336 -23.614 1.00 24.12 H new ATOM 0 HD1 PHE A 38 10.981 16.937 -25.629 1.00 53.10 H new ATOM 0 HD2 PHE A 38 7.521 14.465 -25.867 1.00 71.35 H new ATOM 0 HE1 PHE A 38 10.095 18.354 -27.430 1.00 21.25 H new ATOM 0 HE2 PHE A 38 6.632 15.879 -27.671 1.00 24.43 H new ATOM 0 HZ PHE A 38 7.920 17.826 -28.456 1.00 61.54 H new ATOM 600 N GLU A 39 12.714 13.234 -23.159 1.00 10.42 N ATOM 601 CA GLU A 39 13.167 12.300 -22.135 1.00 41.01 C ATOM 602 C GLU A 39 12.727 12.758 -20.747 1.00 64.05 C ATOM 603 O GLU A 39 13.245 13.738 -20.212 1.00 22.02 O ATOM 604 CB GLU A 39 14.690 12.160 -22.179 1.00 62.02 C ATOM 605 CG GLU A 39 15.215 10.974 -21.388 1.00 24.02 C ATOM 606 CD GLU A 39 16.634 10.599 -21.771 1.00 1.54 C ATOM 607 OE1 GLU A 39 17.503 11.496 -21.774 1.00 4.33 O ATOM 608 OE2 GLU A 39 16.875 9.411 -22.067 1.00 61.21 O ATOM 0 H GLU A 39 13.350 14.013 -23.331 1.00 10.42 H new ATOM 0 HA GLU A 39 12.714 11.330 -22.339 1.00 41.01 H new ATOM 0 HB2 GLU A 39 15.008 12.063 -23.217 1.00 62.02 H new ATOM 0 HB3 GLU A 39 15.142 13.073 -21.791 1.00 62.02 H new ATOM 0 HG2 GLU A 39 15.180 11.207 -20.324 1.00 24.02 H new ATOM 0 HG3 GLU A 39 14.561 10.117 -21.548 1.00 24.02 H new ATOM 615 N VAL A 40 11.768 12.042 -20.171 1.00 34.52 N ATOM 616 CA VAL A 40 11.258 12.373 -18.846 1.00 34.23 C ATOM 617 C VAL A 40 11.759 11.383 -17.800 1.00 61.25 C ATOM 618 O VAL A 40 12.212 10.289 -18.135 1.00 73.42 O ATOM 619 CB VAL A 40 9.718 12.388 -18.825 1.00 14.53 C ATOM 620 CG1 VAL A 40 9.183 13.528 -19.678 1.00 44.45 C ATOM 621 CG2 VAL A 40 9.165 11.053 -19.298 1.00 61.42 C ATOM 0 H VAL A 40 11.328 11.228 -20.601 1.00 34.52 H new ATOM 0 HA VAL A 40 11.628 13.370 -18.605 1.00 34.23 H new ATOM 0 HB VAL A 40 9.388 12.548 -17.798 1.00 14.53 H new ATOM 0 HG11 VAL A 40 8.093 13.522 -19.651 1.00 44.45 H new ATOM 0 HG12 VAL A 40 9.551 14.477 -19.289 1.00 44.45 H new ATOM 0 HG13 VAL A 40 9.521 13.402 -20.707 1.00 44.45 H new ATOM 0 HG21 VAL A 40 8.076 11.082 -19.276 1.00 61.42 H new ATOM 0 HG22 VAL A 40 9.503 10.859 -20.316 1.00 61.42 H new ATOM 0 HG23 VAL A 40 9.520 10.259 -18.641 1.00 61.42 H new ATOM 631 N GLU A 41 11.675 11.775 -16.533 1.00 53.01 N ATOM 632 CA GLU A 41 12.121 10.921 -15.439 1.00 13.05 C ATOM 633 C GLU A 41 10.954 10.552 -14.527 1.00 23.35 C ATOM 634 O GLU A 41 10.209 11.419 -14.073 1.00 14.22 O ATOM 635 CB GLU A 41 13.214 11.621 -14.629 1.00 13.44 C ATOM 636 CG GLU A 41 13.602 10.879 -13.361 1.00 63.01 C ATOM 637 CD GLU A 41 15.025 11.172 -12.926 1.00 42.03 C ATOM 638 OE1 GLU A 41 15.451 12.341 -13.040 1.00 33.23 O ATOM 639 OE2 GLU A 41 15.713 10.234 -12.473 1.00 71.53 O ATOM 0 H GLU A 41 11.302 12.678 -16.239 1.00 53.01 H new ATOM 0 HA GLU A 41 12.528 10.006 -15.869 1.00 13.05 H new ATOM 0 HB2 GLU A 41 14.098 11.740 -15.255 1.00 13.44 H new ATOM 0 HB3 GLU A 41 12.873 12.622 -14.364 1.00 13.44 H new ATOM 0 HG2 GLU A 41 12.917 11.154 -12.559 1.00 63.01 H new ATOM 0 HG3 GLU A 41 13.489 9.807 -13.523 1.00 63.01 H new ATOM 646 N ALA A 42 10.803 9.258 -14.263 1.00 64.22 N ATOM 647 CA ALA A 42 9.730 8.773 -13.405 1.00 14.10 C ATOM 648 C ALA A 42 10.264 8.359 -12.038 1.00 11.41 C ATOM 649 O ALA A 42 11.052 7.421 -11.926 1.00 25.42 O ATOM 650 CB ALA A 42 9.010 7.608 -14.067 1.00 60.53 C ATOM 0 H ALA A 42 11.411 8.527 -14.632 1.00 64.22 H new ATOM 0 HA ALA A 42 9.021 9.588 -13.257 1.00 14.10 H new ATOM 0 HB1 ALA A 42 8.211 7.256 -13.415 1.00 60.53 H new ATOM 0 HB2 ALA A 42 8.586 7.935 -15.016 1.00 60.53 H new ATOM 0 HB3 ALA A 42 9.717 6.797 -14.245 1.00 60.53 H new ATOM 656 N LYS A 43 9.830 9.066 -11.000 1.00 2.32 N ATOM 657 CA LYS A 43 10.264 8.773 -9.639 1.00 11.00 C ATOM 658 C LYS A 43 9.085 8.337 -8.774 1.00 43.04 C ATOM 659 O LYS A 43 9.255 7.600 -7.803 1.00 60.32 O ATOM 660 CB LYS A 43 10.937 10.000 -9.021 1.00 2.34 C ATOM 661 CG LYS A 43 12.452 9.983 -9.131 1.00 0.13 C ATOM 662 CD LYS A 43 13.101 9.539 -7.830 1.00 54.51 C ATOM 663 CE LYS A 43 14.467 8.918 -8.073 1.00 25.14 C ATOM 664 NZ LYS A 43 15.218 8.716 -6.802 1.00 60.24 N ATOM 0 H LYS A 43 9.178 9.846 -11.075 1.00 2.32 H new ATOM 0 HA LYS A 43 10.983 7.955 -9.682 1.00 11.00 H new ATOM 0 HB2 LYS A 43 10.556 10.897 -9.509 1.00 2.34 H new ATOM 0 HB3 LYS A 43 10.658 10.066 -7.969 1.00 2.34 H new ATOM 0 HG2 LYS A 43 12.752 9.312 -9.936 1.00 0.13 H new ATOM 0 HG3 LYS A 43 12.810 10.978 -9.396 1.00 0.13 H new ATOM 0 HD2 LYS A 43 13.203 10.395 -7.162 1.00 54.51 H new ATOM 0 HD3 LYS A 43 12.456 8.818 -7.328 1.00 54.51 H new ATOM 0 HE2 LYS A 43 14.346 7.960 -8.580 1.00 25.14 H new ATOM 0 HE3 LYS A 43 15.045 9.560 -8.738 1.00 25.14 H new ATOM 0 HZ1 LYS A 43 16.144 8.291 -7.010 1.00 60.24 H new ATOM 0 HZ2 LYS A 43 15.356 9.633 -6.331 1.00 60.24 H new ATOM 0 HZ3 LYS A 43 14.679 8.083 -6.177 1.00 60.24 H new ATOM 678 N ASP A 44 7.892 8.796 -9.134 1.00 52.13 N ATOM 679 CA ASP A 44 6.684 8.451 -8.393 1.00 5.14 C ATOM 680 C ASP A 44 5.457 9.107 -9.017 1.00 40.22 C ATOM 681 O ASP A 44 5.553 9.762 -10.055 1.00 74.40 O ATOM 682 CB ASP A 44 6.819 8.879 -6.930 1.00 54.35 C ATOM 683 CG ASP A 44 7.389 10.277 -6.786 1.00 73.34 C ATOM 684 OD1 ASP A 44 6.894 11.194 -7.475 1.00 60.34 O ATOM 685 OD2 ASP A 44 8.329 10.454 -5.984 1.00 71.41 O ATOM 0 H ASP A 44 7.735 9.408 -9.935 1.00 52.13 H new ATOM 0 HA ASP A 44 6.556 7.369 -8.437 1.00 5.14 H new ATOM 0 HB2 ASP A 44 5.841 8.837 -6.451 1.00 54.35 H new ATOM 0 HB3 ASP A 44 7.462 8.172 -6.405 1.00 54.35 H new ATOM 690 N GLN A 45 4.306 8.926 -8.378 1.00 72.02 N ATOM 691 CA GLN A 45 3.060 9.499 -8.873 1.00 14.12 C ATOM 692 C GLN A 45 3.214 10.994 -9.134 1.00 32.21 C ATOM 693 O GLN A 45 2.563 11.549 -10.018 1.00 2.41 O ATOM 694 CB GLN A 45 1.930 9.258 -7.870 1.00 53.42 C ATOM 695 CG GLN A 45 0.542 9.358 -8.482 1.00 52.33 C ATOM 696 CD GLN A 45 -0.561 9.116 -7.471 1.00 10.24 C ATOM 697 OE1 GLN A 45 -0.877 7.849 -7.231 1.00 62.31 O flip ATOM 698 NE2 GLN A 45 -1.123 10.058 -6.910 1.00 74.14 N flip ATOM 0 H GLN A 45 4.210 8.388 -7.517 1.00 72.02 H new ATOM 0 HA GLN A 45 2.812 9.008 -9.814 1.00 14.12 H new ATOM 0 HB2 GLN A 45 2.053 8.269 -7.428 1.00 53.42 H new ATOM 0 HB3 GLN A 45 2.014 9.982 -7.060 1.00 53.42 H new ATOM 0 HG2 GLN A 45 0.414 10.346 -8.924 1.00 52.33 H new ATOM 0 HG3 GLN A 45 0.453 8.633 -9.291 1.00 52.33 H new ATOM 0 HE21 GLN A 45 -0.848 11.017 -7.125 1.00 74.14 H new ATOM 0 HE22 GLN A 45 -1.863 9.879 -6.231 1.00 74.14 H new ATOM 707 N ASN A 46 4.079 11.639 -8.358 1.00 60.12 N ATOM 708 CA ASN A 46 4.318 13.070 -8.505 1.00 51.13 C ATOM 709 C ASN A 46 5.244 13.349 -9.685 1.00 72.45 C ATOM 710 O ASN A 46 6.452 13.516 -9.515 1.00 52.11 O ATOM 711 CB ASN A 46 4.923 13.642 -7.222 1.00 22.23 C ATOM 712 CG ASN A 46 4.970 15.158 -7.230 1.00 34.55 C ATOM 713 OD1 ASN A 46 3.938 15.821 -7.334 1.00 34.33 O ATOM 714 ND2 ASN A 46 6.171 15.713 -7.119 1.00 53.14 N ATOM 0 H ASN A 46 4.626 11.193 -7.621 1.00 60.12 H new ATOM 0 HA ASN A 46 3.360 13.555 -8.695 1.00 51.13 H new ATOM 0 HB2 ASN A 46 4.339 13.304 -6.366 1.00 22.23 H new ATOM 0 HB3 ASN A 46 5.932 13.251 -7.094 1.00 22.23 H new ATOM 0 HD21 ASN A 46 6.265 16.729 -7.118 1.00 53.14 H new ATOM 0 HD22 ASN A 46 6.999 15.124 -7.035 1.00 53.14 H new ATOM 721 N CYS A 47 4.669 13.397 -10.883 1.00 1.34 N ATOM 722 CA CYS A 47 5.441 13.656 -12.092 1.00 60.40 C ATOM 723 C CYS A 47 5.197 15.074 -12.601 1.00 22.45 C ATOM 724 O CYS A 47 4.062 15.550 -12.624 1.00 42.32 O ATOM 725 CB CYS A 47 5.078 12.643 -13.180 1.00 25.43 C ATOM 726 SG CYS A 47 5.760 10.976 -12.901 1.00 10.41 S ATOM 0 H CYS A 47 3.671 13.260 -11.042 1.00 1.34 H new ATOM 0 HA CYS A 47 6.498 13.554 -11.847 1.00 60.40 H new ATOM 0 HB2 CYS A 47 3.992 12.573 -13.249 1.00 25.43 H new ATOM 0 HB3 CYS A 47 5.435 13.014 -14.141 1.00 25.43 H new ATOM 731 N LYS A 48 6.270 15.743 -13.007 1.00 45.11 N ATOM 732 CA LYS A 48 6.175 17.106 -13.517 1.00 21.30 C ATOM 733 C LYS A 48 6.844 17.224 -14.883 1.00 23.34 C ATOM 734 O LYS A 48 7.923 16.673 -15.106 1.00 54.44 O ATOM 735 CB LYS A 48 6.820 18.086 -12.535 1.00 3.13 C ATOM 736 CG LYS A 48 8.278 17.780 -12.239 1.00 63.20 C ATOM 737 CD LYS A 48 8.645 18.142 -10.810 1.00 24.03 C ATOM 738 CE LYS A 48 9.802 19.128 -10.764 1.00 45.23 C ATOM 739 NZ LYS A 48 10.611 18.978 -9.523 1.00 21.41 N ATOM 0 H LYS A 48 7.217 15.363 -12.993 1.00 45.11 H new ATOM 0 HA LYS A 48 5.119 17.353 -13.627 1.00 21.30 H new ATOM 0 HB2 LYS A 48 6.744 19.095 -12.940 1.00 3.13 H new ATOM 0 HB3 LYS A 48 6.258 18.074 -11.601 1.00 3.13 H new ATOM 0 HG2 LYS A 48 8.470 16.720 -12.407 1.00 63.20 H new ATOM 0 HG3 LYS A 48 8.914 18.333 -12.930 1.00 63.20 H new ATOM 0 HD2 LYS A 48 7.778 18.573 -10.309 1.00 24.03 H new ATOM 0 HD3 LYS A 48 8.913 17.239 -10.262 1.00 24.03 H new ATOM 0 HE2 LYS A 48 10.441 18.978 -11.634 1.00 45.23 H new ATOM 0 HE3 LYS A 48 9.415 20.145 -10.824 1.00 45.23 H new ATOM 0 HZ1 LYS A 48 11.389 19.668 -9.530 1.00 21.41 H new ATOM 0 HZ2 LYS A 48 10.008 19.146 -8.693 1.00 21.41 H new ATOM 0 HZ3 LYS A 48 11.002 18.015 -9.478 1.00 21.41 H new ATOM 753 N VAL A 49 6.198 17.946 -15.793 1.00 5.03 N ATOM 754 CA VAL A 49 6.733 18.138 -17.136 1.00 15.44 C ATOM 755 C VAL A 49 8.166 18.656 -17.088 1.00 53.12 C ATOM 756 O VAL A 49 8.401 19.839 -16.839 1.00 21.34 O ATOM 757 CB VAL A 49 5.869 19.123 -17.947 1.00 64.32 C ATOM 758 CG1 VAL A 49 4.582 18.454 -18.403 1.00 34.43 C ATOM 759 CG2 VAL A 49 5.571 20.370 -17.128 1.00 64.44 C ATOM 0 H VAL A 49 5.304 18.407 -15.625 1.00 5.03 H new ATOM 0 HA VAL A 49 6.719 17.164 -17.626 1.00 15.44 H new ATOM 0 HB VAL A 49 6.427 19.424 -18.833 1.00 64.32 H new ATOM 0 HG11 VAL A 49 3.985 19.165 -18.974 1.00 34.43 H new ATOM 0 HG12 VAL A 49 4.821 17.595 -19.030 1.00 34.43 H new ATOM 0 HG13 VAL A 49 4.016 18.122 -17.532 1.00 34.43 H new ATOM 0 HG21 VAL A 49 4.960 21.054 -17.716 1.00 64.44 H new ATOM 0 HG22 VAL A 49 5.033 20.090 -16.222 1.00 64.44 H new ATOM 0 HG23 VAL A 49 6.506 20.860 -16.858 1.00 64.44 H new ATOM 769 N ILE A 50 9.120 17.763 -17.330 1.00 14.24 N ATOM 770 CA ILE A 50 10.530 18.131 -17.316 1.00 61.50 C ATOM 771 C ILE A 50 11.351 17.193 -18.195 1.00 31.21 C ATOM 772 O ILE A 50 11.003 16.024 -18.370 1.00 13.25 O ATOM 773 CB ILE A 50 11.104 18.110 -15.887 1.00 34.52 C ATOM 774 CG1 ILE A 50 12.507 18.720 -15.868 1.00 34.32 C ATOM 775 CG2 ILE A 50 11.131 16.687 -15.348 1.00 64.02 C ATOM 776 CD1 ILE A 50 13.023 19.004 -14.475 1.00 10.12 C ATOM 0 H ILE A 50 8.942 16.780 -17.538 1.00 14.24 H new ATOM 0 HA ILE A 50 10.595 19.145 -17.710 1.00 61.50 H new ATOM 0 HB ILE A 50 10.460 18.709 -15.244 1.00 34.52 H new ATOM 0 HG12 ILE A 50 13.196 18.042 -16.371 1.00 34.32 H new ATOM 0 HG13 ILE A 50 12.499 19.648 -16.440 1.00 34.32 H new ATOM 0 HG21 ILE A 50 11.539 16.688 -14.337 1.00 64.02 H new ATOM 0 HG22 ILE A 50 10.118 16.286 -15.330 1.00 64.02 H new ATOM 0 HG23 ILE A 50 11.755 16.066 -15.991 1.00 64.02 H new ATOM 0 HD11 ILE A 50 14.022 19.435 -14.538 1.00 10.12 H new ATOM 0 HD12 ILE A 50 12.355 19.706 -13.976 1.00 10.12 H new ATOM 0 HD13 ILE A 50 13.064 18.075 -13.906 1.00 10.12 H new ATOM 788 N LEU A 51 12.443 17.711 -18.745 1.00 2.40 N ATOM 789 CA LEU A 51 13.316 16.920 -19.605 1.00 43.10 C ATOM 790 C LEU A 51 14.679 16.710 -18.952 1.00 73.12 C ATOM 791 O LEU A 51 15.136 17.537 -18.163 1.00 13.15 O ATOM 792 CB LEU A 51 13.488 17.607 -20.961 1.00 2.11 C ATOM 793 CG LEU A 51 12.200 18.039 -21.663 1.00 21.41 C ATOM 794 CD1 LEU A 51 12.405 19.359 -22.389 1.00 55.11 C ATOM 795 CD2 LEU A 51 11.734 16.962 -22.632 1.00 23.53 C ATOM 0 H LEU A 51 12.745 18.676 -18.611 1.00 2.40 H new ATOM 0 HA LEU A 51 12.851 15.945 -19.755 1.00 43.10 H new ATOM 0 HB2 LEU A 51 14.116 18.487 -20.823 1.00 2.11 H new ATOM 0 HB3 LEU A 51 14.029 16.931 -21.622 1.00 2.11 H new ATOM 0 HG LEU A 51 11.427 18.180 -20.908 1.00 21.41 H new ATOM 0 HD11 LEU A 51 11.478 19.651 -22.883 1.00 55.11 H new ATOM 0 HD12 LEU A 51 12.692 20.128 -21.672 1.00 55.11 H new ATOM 0 HD13 LEU A 51 13.193 19.246 -23.134 1.00 55.11 H new ATOM 0 HD21 LEU A 51 10.816 17.286 -23.123 1.00 23.53 H new ATOM 0 HD22 LEU A 51 12.505 16.790 -23.383 1.00 23.53 H new ATOM 0 HD23 LEU A 51 11.546 16.038 -22.086 1.00 23.53 H new ATOM 807 N THR A 52 15.325 15.598 -19.289 1.00 3.14 N ATOM 808 CA THR A 52 16.636 15.279 -18.736 1.00 51.35 C ATOM 809 C THR A 52 17.750 15.900 -19.572 1.00 20.43 C ATOM 810 O THR A 52 18.930 15.636 -19.343 1.00 53.32 O ATOM 811 CB THR A 52 16.857 13.757 -18.656 1.00 74.14 C ATOM 812 OG1 THR A 52 16.411 13.133 -19.866 1.00 11.02 O ATOM 813 CG2 THR A 52 16.112 13.164 -17.470 1.00 21.13 C ATOM 0 H THR A 52 14.962 14.903 -19.942 1.00 3.14 H new ATOM 0 HA THR A 52 16.665 15.696 -17.729 1.00 51.35 H new ATOM 0 HB THR A 52 17.923 13.573 -18.524 1.00 74.14 H new ATOM 0 HG1 THR A 52 17.154 12.640 -20.273 1.00 11.02 H new ATOM 0 HG21 THR A 52 16.283 12.088 -17.434 1.00 21.13 H new ATOM 0 HG22 THR A 52 16.474 13.620 -16.548 1.00 21.13 H new ATOM 0 HG23 THR A 52 15.045 13.358 -17.577 1.00 21.13 H new ATOM 821 N ASN A 53 17.367 16.725 -20.540 1.00 45.43 N ATOM 822 CA ASN A 53 18.335 17.384 -21.410 1.00 65.21 C ATOM 823 C ASN A 53 18.573 18.824 -20.967 1.00 44.21 C ATOM 824 O ASN A 53 18.860 19.697 -21.785 1.00 52.12 O ATOM 825 CB ASN A 53 17.849 17.358 -22.861 1.00 2.25 C ATOM 826 CG ASN A 53 16.752 18.372 -23.120 1.00 40.25 C ATOM 827 OD1 ASN A 53 15.914 18.631 -22.257 1.00 13.31 O ATOM 828 ND2 ASN A 53 16.753 18.951 -24.315 1.00 52.45 N ATOM 0 H ASN A 53 16.394 16.954 -20.742 1.00 45.43 H new ATOM 0 HA ASN A 53 19.278 16.841 -21.340 1.00 65.21 H new ATOM 0 HB2 ASN A 53 18.689 17.557 -23.527 1.00 2.25 H new ATOM 0 HB3 ASN A 53 17.482 16.360 -23.101 1.00 2.25 H new ATOM 0 HD21 ASN A 53 16.039 19.641 -24.548 1.00 52.45 H new ATOM 0 HD22 ASN A 53 17.468 18.705 -25.000 1.00 52.45 H new ATOM 835 N GLY A 54 18.453 19.065 -19.665 1.00 20.21 N ATOM 836 CA GLY A 54 18.659 20.400 -19.135 1.00 54.22 C ATOM 837 C GLY A 54 17.677 21.406 -19.702 1.00 52.31 C ATOM 838 O GLY A 54 18.000 22.585 -19.852 1.00 64.32 O ATOM 0 H GLY A 54 18.217 18.359 -18.968 1.00 20.21 H new ATOM 0 HA2 GLY A 54 18.563 20.376 -18.049 1.00 54.22 H new ATOM 0 HA3 GLY A 54 19.676 20.723 -19.358 1.00 54.22 H new ATOM 842 N LYS A 55 16.473 20.942 -20.020 1.00 23.40 N ATOM 843 CA LYS A 55 15.440 21.808 -20.574 1.00 51.24 C ATOM 844 C LYS A 55 14.073 21.466 -19.991 1.00 54.22 C ATOM 845 O LYS A 55 13.859 20.360 -19.496 1.00 53.02 O ATOM 846 CB LYS A 55 15.402 21.681 -22.099 1.00 23.40 C ATOM 847 CG LYS A 55 15.521 23.010 -22.824 1.00 2.13 C ATOM 848 CD LYS A 55 16.800 23.088 -23.640 1.00 62.55 C ATOM 849 CE LYS A 55 17.222 24.529 -23.881 1.00 15.10 C ATOM 850 NZ LYS A 55 18.648 24.758 -23.520 1.00 61.42 N ATOM 0 H LYS A 55 16.189 19.969 -19.903 1.00 23.40 H new ATOM 0 HA LYS A 55 15.682 22.837 -20.307 1.00 51.24 H new ATOM 0 HB2 LYS A 55 16.213 21.027 -22.421 1.00 23.40 H new ATOM 0 HB3 LYS A 55 14.469 21.199 -22.392 1.00 23.40 H new ATOM 0 HG2 LYS A 55 14.661 23.146 -23.480 1.00 2.13 H new ATOM 0 HG3 LYS A 55 15.501 23.824 -22.099 1.00 2.13 H new ATOM 0 HD2 LYS A 55 17.597 22.557 -23.120 1.00 62.55 H new ATOM 0 HD3 LYS A 55 16.653 22.586 -24.596 1.00 62.55 H new ATOM 0 HE2 LYS A 55 17.068 24.782 -24.930 1.00 15.10 H new ATOM 0 HE3 LYS A 55 16.588 25.196 -23.296 1.00 15.10 H new ATOM 0 HZ1 LYS A 55 18.896 25.752 -23.699 1.00 61.42 H new ATOM 0 HZ2 LYS A 55 18.790 24.542 -22.513 1.00 61.42 H new ATOM 0 HZ3 LYS A 55 19.255 24.141 -24.096 1.00 61.42 H new ATOM 864 N GLN A 56 13.151 22.422 -20.055 1.00 3.11 N ATOM 865 CA GLN A 56 11.805 22.220 -19.533 1.00 54.34 C ATOM 866 C GLN A 56 10.787 22.149 -20.667 1.00 51.21 C ATOM 867 O GLN A 56 10.921 22.837 -21.678 1.00 52.35 O ATOM 868 CB GLN A 56 11.434 23.349 -18.569 1.00 71.44 C ATOM 869 CG GLN A 56 11.760 24.735 -19.101 1.00 61.11 C ATOM 870 CD GLN A 56 11.453 25.831 -18.100 1.00 10.10 C ATOM 871 OE1 GLN A 56 12.351 26.535 -17.637 1.00 64.24 O ATOM 872 NE2 GLN A 56 10.178 25.982 -17.760 1.00 4.24 N ATOM 0 H GLN A 56 13.312 23.343 -20.463 1.00 3.11 H new ATOM 0 HA GLN A 56 11.789 21.272 -18.995 1.00 54.34 H new ATOM 0 HB2 GLN A 56 10.367 23.294 -18.352 1.00 71.44 H new ATOM 0 HB3 GLN A 56 11.960 23.198 -17.626 1.00 71.44 H new ATOM 0 HG2 GLN A 56 12.816 24.778 -19.369 1.00 61.11 H new ATOM 0 HG3 GLN A 56 11.192 24.913 -20.014 1.00 61.11 H new ATOM 0 HE21 GLN A 56 9.466 25.376 -18.168 1.00 4.24 H new ATOM 0 HE22 GLN A 56 9.911 26.704 -17.091 1.00 4.24 H new ATOM 881 N ALA A 57 9.770 21.312 -20.491 1.00 12.11 N ATOM 882 CA ALA A 57 8.729 21.152 -21.498 1.00 55.43 C ATOM 883 C ALA A 57 8.151 22.502 -21.909 1.00 53.43 C ATOM 884 O ALA A 57 8.278 23.501 -21.200 1.00 73.14 O ATOM 885 CB ALA A 57 7.627 20.241 -20.979 1.00 32.33 C ATOM 0 H ALA A 57 9.645 20.734 -19.660 1.00 12.11 H new ATOM 0 HA ALA A 57 9.179 20.694 -22.379 1.00 55.43 H new ATOM 0 HB1 ALA A 57 6.856 20.131 -21.742 1.00 32.33 H new ATOM 0 HB2 ALA A 57 8.045 19.263 -20.742 1.00 32.33 H new ATOM 0 HB3 ALA A 57 7.189 20.676 -20.081 1.00 32.33 H new ATOM 891 N PRO A 58 7.501 22.536 -23.082 1.00 53.51 N ATOM 892 CA PRO A 58 6.891 23.759 -23.614 1.00 34.32 C ATOM 893 C PRO A 58 5.668 24.192 -22.812 1.00 41.41 C ATOM 894 O PRO A 58 5.387 23.644 -21.746 1.00 54.43 O ATOM 895 CB PRO A 58 6.485 23.363 -25.036 1.00 33.03 C ATOM 896 CG PRO A 58 6.308 21.885 -24.982 1.00 21.33 C ATOM 897 CD PRO A 58 7.311 21.384 -23.979 1.00 51.22 C ATOM 0 HA PRO A 58 7.574 24.607 -23.572 1.00 34.32 H new ATOM 0 HB2 PRO A 58 5.564 23.861 -25.338 1.00 33.03 H new ATOM 0 HB3 PRO A 58 7.251 23.644 -25.759 1.00 33.03 H new ATOM 0 HG2 PRO A 58 5.293 21.624 -24.682 1.00 21.33 H new ATOM 0 HG3 PRO A 58 6.477 21.436 -25.961 1.00 21.33 H new ATOM 0 HD2 PRO A 58 6.940 20.512 -23.440 1.00 51.22 H new ATOM 0 HD3 PRO A 58 8.245 21.089 -24.458 1.00 51.22 H new ATOM 905 N ASP A 59 4.945 25.179 -23.331 1.00 64.45 N ATOM 906 CA ASP A 59 3.752 25.685 -22.664 1.00 75.13 C ATOM 907 C ASP A 59 2.537 24.823 -22.995 1.00 63.31 C ATOM 908 O ASP A 59 1.497 24.922 -22.344 1.00 4.31 O ATOM 909 CB ASP A 59 3.489 27.135 -23.073 1.00 43.31 C ATOM 910 CG ASP A 59 3.842 28.119 -21.975 1.00 11.12 C ATOM 911 OD1 ASP A 59 5.015 28.542 -21.911 1.00 24.01 O ATOM 912 OD2 ASP A 59 2.944 28.467 -21.180 1.00 21.12 O ATOM 0 H ASP A 59 5.165 25.644 -24.212 1.00 64.45 H new ATOM 0 HA ASP A 59 3.923 25.644 -21.588 1.00 75.13 H new ATOM 0 HB2 ASP A 59 4.069 27.368 -23.966 1.00 43.31 H new ATOM 0 HB3 ASP A 59 2.438 27.250 -23.336 1.00 43.31 H new ATOM 917 N TRP A 60 2.677 23.978 -24.011 1.00 11.54 N ATOM 918 CA TRP A 60 1.591 23.099 -24.428 1.00 54.54 C ATOM 919 C TRP A 60 1.848 21.665 -23.981 1.00 22.02 C ATOM 920 O TRP A 60 1.311 20.718 -24.558 1.00 3.25 O ATOM 921 CB TRP A 60 1.422 23.150 -25.948 1.00 13.22 C ATOM 922 CG TRP A 60 2.708 22.967 -26.695 1.00 1.02 C ATOM 923 CD1 TRP A 60 3.607 23.939 -27.030 1.00 55.34 C ATOM 924 CD2 TRP A 60 3.238 21.737 -27.200 1.00 71.32 C ATOM 925 NE1 TRP A 60 4.663 23.387 -27.714 1.00 50.41 N ATOM 926 CE2 TRP A 60 4.461 22.038 -27.831 1.00 22.44 C ATOM 927 CE3 TRP A 60 2.799 20.410 -27.180 1.00 2.11 C ATOM 928 CZ2 TRP A 60 5.247 21.060 -28.435 1.00 21.03 C ATOM 929 CZ3 TRP A 60 3.580 19.441 -27.780 1.00 43.03 C ATOM 930 CH2 TRP A 60 4.793 19.769 -28.400 1.00 43.40 C ATOM 0 H TRP A 60 3.531 23.883 -24.560 1.00 11.54 H new ATOM 0 HA TRP A 60 0.673 23.447 -23.955 1.00 54.54 H new ATOM 0 HB2 TRP A 60 0.719 22.376 -26.254 1.00 13.22 H new ATOM 0 HB3 TRP A 60 0.982 24.108 -26.226 1.00 13.22 H new ATOM 0 HD1 TRP A 60 3.503 24.987 -26.792 1.00 55.34 H new ATOM 0 HE1 TRP A 60 5.467 23.899 -28.076 1.00 50.41 H new ATOM 0 HE3 TRP A 60 1.866 20.147 -26.704 1.00 2.11 H new ATOM 0 HZ2 TRP A 60 6.182 21.311 -28.914 1.00 21.03 H new ATOM 0 HZ3 TRP A 60 3.250 18.413 -27.771 1.00 43.03 H new ATOM 0 HH2 TRP A 60 5.381 18.988 -28.859 1.00 43.40 H new ATOM 941 N LEU A 61 2.672 21.510 -22.950 1.00 51.41 N ATOM 942 CA LEU A 61 3.000 20.190 -22.425 1.00 24.34 C ATOM 943 C LEU A 61 2.479 20.025 -21.001 1.00 1.24 C ATOM 944 O LEU A 61 2.534 20.956 -20.197 1.00 64.14 O ATOM 945 CB LEU A 61 4.514 19.969 -22.455 1.00 12.35 C ATOM 946 CG LEU A 61 5.003 18.783 -23.287 1.00 0.35 C ATOM 947 CD1 LEU A 61 4.273 17.512 -22.884 1.00 75.43 C ATOM 948 CD2 LEU A 61 4.817 19.061 -24.771 1.00 70.52 C ATOM 0 H LEU A 61 3.125 22.282 -22.462 1.00 51.41 H new ATOM 0 HA LEU A 61 2.517 19.445 -23.057 1.00 24.34 H new ATOM 0 HB2 LEU A 61 4.986 20.874 -22.837 1.00 12.35 H new ATOM 0 HB3 LEU A 61 4.862 19.837 -21.431 1.00 12.35 H new ATOM 0 HG LEU A 61 6.067 18.642 -23.095 1.00 0.35 H new ATOM 0 HD11 LEU A 61 4.634 16.678 -23.487 1.00 75.43 H new ATOM 0 HD12 LEU A 61 4.458 17.305 -21.830 1.00 75.43 H new ATOM 0 HD13 LEU A 61 3.203 17.640 -23.046 1.00 75.43 H new ATOM 0 HD21 LEU A 61 5.170 18.207 -25.348 1.00 70.52 H new ATOM 0 HD22 LEU A 61 3.760 19.228 -24.980 1.00 70.52 H new ATOM 0 HD23 LEU A 61 5.387 19.947 -25.049 1.00 70.52 H new ATOM 960 N ALA A 62 1.975 18.834 -20.694 1.00 50.25 N ATOM 961 CA ALA A 62 1.448 18.546 -19.366 1.00 51.33 C ATOM 962 C ALA A 62 1.639 17.077 -19.007 1.00 33.32 C ATOM 963 O ALA A 62 2.160 16.296 -19.802 1.00 61.14 O ATOM 964 CB ALA A 62 -0.024 18.924 -19.289 1.00 60.34 C ATOM 0 H ALA A 62 1.921 18.053 -21.348 1.00 50.25 H new ATOM 0 HA ALA A 62 2.003 19.144 -18.644 1.00 51.33 H new ATOM 0 HB1 ALA A 62 -0.405 18.704 -18.292 1.00 60.34 H new ATOM 0 HB2 ALA A 62 -0.137 19.989 -19.494 1.00 60.34 H new ATOM 0 HB3 ALA A 62 -0.586 18.351 -20.027 1.00 60.34 H new ATOM 970 N ALA A 63 1.214 16.707 -17.803 1.00 74.22 N ATOM 971 CA ALA A 63 1.337 15.330 -17.339 1.00 53.52 C ATOM 972 C ALA A 63 0.289 15.013 -16.277 1.00 44.51 C ATOM 973 O ALA A 63 0.233 15.666 -15.235 1.00 74.42 O ATOM 974 CB ALA A 63 2.735 15.080 -16.795 1.00 64.14 C ATOM 0 H ALA A 63 0.782 17.341 -17.131 1.00 74.22 H new ATOM 0 HA ALA A 63 1.166 14.669 -18.189 1.00 53.52 H new ATOM 0 HB1 ALA A 63 2.813 14.048 -16.452 1.00 64.14 H new ATOM 0 HB2 ALA A 63 3.469 15.257 -17.581 1.00 64.14 H new ATOM 0 HB3 ALA A 63 2.927 15.755 -15.961 1.00 64.14 H new ATOM 980 N GLU A 64 -0.538 14.009 -16.549 1.00 64.22 N ATOM 981 CA GLU A 64 -1.584 13.608 -15.616 1.00 60.42 C ATOM 982 C GLU A 64 -1.134 12.418 -14.773 1.00 1.23 C ATOM 983 O GLU A 64 -0.203 11.693 -15.123 1.00 44.32 O ATOM 984 CB GLU A 64 -2.865 13.254 -16.374 1.00 34.21 C ATOM 985 CG GLU A 64 -3.775 14.446 -16.622 1.00 25.30 C ATOM 986 CD GLU A 64 -5.146 14.039 -17.126 1.00 23.34 C ATOM 987 OE1 GLU A 64 -5.690 13.035 -16.621 1.00 22.41 O ATOM 988 OE2 GLU A 64 -5.674 14.725 -18.025 1.00 55.30 O ATOM 0 H GLU A 64 -0.504 13.459 -17.407 1.00 64.22 H new ATOM 0 HA GLU A 64 -1.784 14.448 -14.951 1.00 60.42 H new ATOM 0 HB2 GLU A 64 -2.599 12.806 -17.331 1.00 34.21 H new ATOM 0 HB3 GLU A 64 -3.414 12.500 -15.810 1.00 34.21 H new ATOM 0 HG2 GLU A 64 -3.885 15.012 -15.697 1.00 25.30 H new ATOM 0 HG3 GLU A 64 -3.307 15.110 -17.349 1.00 25.30 H new ATOM 995 N PRO A 65 -1.810 12.212 -13.633 1.00 13.11 N ATOM 996 CA PRO A 65 -1.499 11.112 -12.715 1.00 45.23 C ATOM 997 C PRO A 65 -1.868 9.751 -13.295 1.00 44.12 C ATOM 998 O PRO A 65 -2.329 9.655 -14.433 1.00 31.44 O ATOM 999 CB PRO A 65 -2.358 11.421 -11.487 1.00 21.13 C ATOM 1000 CG PRO A 65 -3.491 12.233 -12.012 1.00 35.44 C ATOM 1001 CD PRO A 65 -2.932 13.037 -13.152 1.00 63.44 C ATOM 0 HA PRO A 65 -0.432 11.049 -12.501 1.00 45.23 H new ATOM 0 HB2 PRO A 65 -2.713 10.506 -11.012 1.00 21.13 H new ATOM 0 HB3 PRO A 65 -1.791 11.971 -10.736 1.00 21.13 H new ATOM 0 HG2 PRO A 65 -4.306 11.593 -12.349 1.00 35.44 H new ATOM 0 HG3 PRO A 65 -3.896 12.884 -11.237 1.00 35.44 H new ATOM 0 HD2 PRO A 65 -3.676 13.199 -13.932 1.00 63.44 H new ATOM 0 HD3 PRO A 65 -2.596 14.020 -12.823 1.00 63.44 H new ATOM 1009 N TYR A 66 -1.662 8.702 -12.507 1.00 10.02 N ATOM 1010 CA TYR A 66 -1.972 7.346 -12.943 1.00 64.33 C ATOM 1011 C TYR A 66 -3.412 7.247 -13.436 1.00 50.43 C ATOM 1012 O TYR A 66 -3.659 6.961 -14.606 1.00 55.14 O ATOM 1013 CB TYR A 66 -1.743 6.355 -11.800 1.00 53.13 C ATOM 1014 CG TYR A 66 -2.802 6.420 -10.722 1.00 63.25 C ATOM 1015 CD1 TYR A 66 -2.683 7.304 -9.657 1.00 61.01 C ATOM 1016 CD2 TYR A 66 -3.920 5.597 -10.769 1.00 21.53 C ATOM 1017 CE1 TYR A 66 -3.647 7.366 -8.670 1.00 0.24 C ATOM 1018 CE2 TYR A 66 -4.890 5.653 -9.786 1.00 64.05 C ATOM 1019 CZ TYR A 66 -4.749 6.539 -8.739 1.00 4.20 C ATOM 1020 OH TYR A 66 -5.712 6.597 -7.758 1.00 3.42 O ATOM 0 H TYR A 66 -1.282 8.765 -11.563 1.00 10.02 H new ATOM 0 HA TYR A 66 -1.307 7.097 -13.770 1.00 64.33 H new ATOM 0 HB2 TYR A 66 -1.712 5.344 -12.207 1.00 53.13 H new ATOM 0 HB3 TYR A 66 -0.768 6.548 -11.352 1.00 53.13 H new ATOM 0 HD1 TYR A 66 -1.822 7.954 -9.600 1.00 61.01 H new ATOM 0 HD2 TYR A 66 -4.033 4.902 -11.588 1.00 21.53 H new ATOM 0 HE1 TYR A 66 -3.539 8.058 -7.848 1.00 0.24 H new ATOM 0 HE2 TYR A 66 -5.754 5.006 -9.838 1.00 64.05 H new ATOM 0 HH TYR A 66 -6.421 5.950 -7.957 1.00 3.42 H new TER 1030 TYR A 66