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+ -130:sc= -0.164 (180deg=-1.46) USER MOD Single : A 8 TYR OH : rot 180:sc= -0.274 USER MOD Single : A 9 TYR OH : rot 167:sc= -0.544 USER MOD Single : A 12 HIS : no HD1:sc= -0.67 X(o=-0.67,f=-0.45) 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= -0.117 USER MOD Single : A 28 THR OG1 : rot 38:sc= 0.0716 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 X(o=0,f=0) 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) 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 170:sc= 0 USER MOD Single : A 53 ASN : amide:sc= -0.055 X(o=-0.055,f=-0.0074) 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=-0.4) USER MOD Single : A 66 TYR OH : rot 180:sc= 0 USER MOD ----------------------------------------------------------------- ATOM 1 N ALA A 1 1.329 0.000 0.000 1.00 0.00 N ATOM 2 CA ALA A 1 2.093 -0.001 -1.241 1.00 71.14 C ATOM 3 C ALA A 1 1.172 -0.097 -2.453 1.00 33.42 C ATOM 4 O ALA A 1 1.116 -1.117 -3.141 1.00 51.30 O ATOM 5 CB ALA A 1 3.093 -1.147 -1.244 1.00 65.34 C ATOM 0 H1 ALA A 1 1.640 0.792 0.598 1.00 0.00 H new ATOM 0 H2 ALA A 1 0.317 0.105 -0.215 1.00 0.00 H new ATOM 0 H3 ALA A 1 1.484 -0.896 0.504 1.00 0.00 H new ATOM 0 HA ALA A 1 2.637 0.942 -1.305 1.00 71.14 H new ATOM 0 HB1 ALA A 1 3.657 -1.136 -2.177 1.00 65.34 H new ATOM 0 HB2 ALA A 1 3.779 -1.034 -0.404 1.00 65.34 H new ATOM 0 HB3 ALA A 1 2.561 -2.094 -1.153 1.00 65.34 H new ATOM 11 N PRO A 2 0.430 0.988 -2.721 1.00 63.31 N ATOM 12 CA PRO A 2 -0.502 1.050 -3.850 1.00 74.33 C ATOM 13 C PRO A 2 0.216 1.088 -5.195 1.00 25.24 C ATOM 14 O PRO A 2 1.438 0.950 -5.260 1.00 75.51 O ATOM 15 CB PRO A 2 -1.261 2.358 -3.612 1.00 70.34 C ATOM 16 CG PRO A 2 -0.329 3.195 -2.806 1.00 71.11 C ATOM 17 CD PRO A 2 0.446 2.238 -1.943 1.00 71.11 C ATOM 0 HA PRO A 2 -1.144 0.170 -3.896 1.00 74.33 H new ATOM 0 HB2 PRO A 2 -1.517 2.844 -4.553 1.00 70.34 H new ATOM 0 HB3 PRO A 2 -2.196 2.182 -3.080 1.00 70.34 H new ATOM 0 HG2 PRO A 2 0.338 3.767 -3.451 1.00 71.11 H new ATOM 0 HG3 PRO A 2 -0.877 3.913 -2.197 1.00 71.11 H new ATOM 0 HD2 PRO A 2 1.463 2.589 -1.767 1.00 71.11 H new ATOM 0 HD3 PRO A 2 -0.020 2.109 -0.966 1.00 71.11 H new ATOM 25 N ALA A 3 -0.549 1.277 -6.265 1.00 22.35 N ATOM 26 CA ALA A 3 0.016 1.336 -7.607 1.00 30.50 C ATOM 27 C ALA A 3 0.220 2.779 -8.054 1.00 2.11 C ATOM 28 O ALA A 3 -0.730 3.560 -8.117 1.00 22.43 O ATOM 29 CB ALA A 3 -0.882 0.599 -8.590 1.00 24.30 C ATOM 0 H ALA A 3 -1.562 1.392 -6.228 1.00 22.35 H new ATOM 0 HA ALA A 3 0.991 0.849 -7.586 1.00 30.50 H new ATOM 0 HB1 ALA A 3 -0.448 0.651 -9.589 1.00 24.30 H new ATOM 0 HB2 ALA A 3 -0.973 -0.444 -8.288 1.00 24.30 H new ATOM 0 HB3 ALA A 3 -1.869 1.062 -8.599 1.00 24.30 H new ATOM 35 N ARG A 4 1.465 3.128 -8.363 1.00 30.35 N ATOM 36 CA ARG A 4 1.794 4.478 -8.802 1.00 14.53 C ATOM 37 C ARG A 4 2.256 4.480 -10.256 1.00 22.03 C ATOM 38 O ARG A 4 3.133 3.706 -10.640 1.00 72.41 O ATOM 39 CB ARG A 4 2.882 5.078 -7.909 1.00 35.55 C ATOM 40 CG ARG A 4 4.065 4.150 -7.685 1.00 42.43 C ATOM 41 CD ARG A 4 4.000 3.483 -6.321 1.00 23.24 C ATOM 42 NE ARG A 4 4.724 2.215 -6.297 1.00 23.24 N ATOM 43 CZ ARG A 4 6.050 2.125 -6.276 1.00 15.50 C ATOM 44 NH1 ARG A 4 6.791 3.224 -6.276 1.00 4.31 N ATOM 45 NH2 ARG A 4 6.635 0.935 -6.255 1.00 3.02 N ATOM 0 H ARG A 4 2.262 2.494 -8.317 1.00 30.35 H new ATOM 0 HA ARG A 4 0.893 5.087 -8.724 1.00 14.53 H new ATOM 0 HB2 ARG A 4 3.238 6.005 -8.358 1.00 35.55 H new ATOM 0 HB3 ARG A 4 2.446 5.337 -6.944 1.00 35.55 H new ATOM 0 HG2 ARG A 4 4.083 3.387 -8.464 1.00 42.43 H new ATOM 0 HG3 ARG A 4 4.993 4.715 -7.771 1.00 42.43 H new ATOM 0 HD2 ARG A 4 4.418 4.153 -5.570 1.00 23.24 H new ATOM 0 HD3 ARG A 4 2.958 3.311 -6.051 1.00 23.24 H new ATOM 0 HE ARG A 4 4.182 1.351 -6.296 1.00 23.24 H new ATOM 0 HH11 ARG A 4 6.344 4.141 -6.292 1.00 4.31 H new ATOM 0 HH12 ARG A 4 7.808 3.153 -6.260 1.00 4.31 H new ATOM 0 HH21 ARG A 4 6.067 0.088 -6.255 1.00 3.02 H new ATOM 0 HH22 ARG A 4 7.653 0.867 -6.239 1.00 3.02 H new ATOM 59 N PHE A 5 1.661 5.355 -11.060 1.00 33.52 N ATOM 60 CA PHE A 5 2.010 5.456 -12.472 1.00 23.01 C ATOM 61 C PHE A 5 1.893 6.897 -12.959 1.00 54.21 C ATOM 62 O PHE A 5 1.147 7.697 -12.393 1.00 53.13 O ATOM 63 CB PHE A 5 1.108 4.547 -13.309 1.00 53.41 C ATOM 64 CG PHE A 5 1.616 3.139 -13.424 1.00 62.22 C ATOM 65 CD1 PHE A 5 1.369 2.215 -12.422 1.00 5.05 C ATOM 66 CD2 PHE A 5 2.342 2.739 -14.535 1.00 35.31 C ATOM 67 CE1 PHE A 5 1.836 0.918 -12.524 1.00 74.24 C ATOM 68 CE2 PHE A 5 2.810 1.443 -14.644 1.00 32.14 C ATOM 69 CZ PHE A 5 2.558 0.532 -13.637 1.00 33.34 C ATOM 0 H PHE A 5 0.935 6.004 -10.758 1.00 33.52 H new ATOM 0 HA PHE A 5 3.045 5.135 -12.589 1.00 23.01 H new ATOM 0 HB2 PHE A 5 0.112 4.530 -12.867 1.00 53.41 H new ATOM 0 HB3 PHE A 5 1.006 4.971 -14.308 1.00 53.41 H new ATOM 0 HD1 PHE A 5 0.805 2.512 -11.550 1.00 5.05 H new ATOM 0 HD2 PHE A 5 2.544 3.448 -15.324 1.00 35.31 H new ATOM 0 HE1 PHE A 5 1.637 0.208 -11.735 1.00 74.24 H new ATOM 0 HE2 PHE A 5 3.372 1.143 -15.516 1.00 32.14 H new ATOM 0 HZ PHE A 5 2.925 -0.480 -13.719 1.00 33.34 H new ATOM 79 N CYS A 6 2.635 7.222 -14.012 1.00 70.23 N ATOM 80 CA CYS A 6 2.616 8.566 -14.577 1.00 23.13 C ATOM 81 C CYS A 6 2.199 8.534 -16.044 1.00 71.11 C ATOM 82 O CYS A 6 2.623 7.662 -16.803 1.00 34.34 O ATOM 83 CB CYS A 6 3.994 9.218 -14.441 1.00 32.30 C ATOM 84 SG CYS A 6 4.490 9.557 -12.721 1.00 72.32 S ATOM 0 H CYS A 6 3.258 6.572 -14.492 1.00 70.23 H new ATOM 0 HA CYS A 6 1.886 9.156 -14.023 1.00 23.13 H new ATOM 0 HB2 CYS A 6 4.738 8.568 -14.901 1.00 32.30 H new ATOM 0 HB3 CYS A 6 3.998 10.154 -15.000 1.00 32.30 H new ATOM 89 N VAL A 7 1.365 9.492 -16.438 1.00 23.35 N ATOM 90 CA VAL A 7 0.891 9.575 -17.814 1.00 22.22 C ATOM 91 C VAL A 7 1.313 10.889 -18.462 1.00 32.22 C ATOM 92 O VAL A 7 1.454 11.909 -17.787 1.00 24.32 O ATOM 93 CB VAL A 7 -0.642 9.447 -17.888 1.00 0.20 C ATOM 94 CG1 VAL A 7 -1.100 9.344 -19.335 1.00 0.02 C ATOM 95 CG2 VAL A 7 -1.116 8.246 -17.083 1.00 42.42 C ATOM 0 H VAL A 7 1.004 10.221 -15.823 1.00 23.35 H new ATOM 0 HA VAL A 7 1.344 8.745 -18.356 1.00 22.22 H new ATOM 0 HB VAL A 7 -1.085 10.344 -17.455 1.00 0.20 H new ATOM 0 HG11 VAL A 7 -2.186 9.254 -19.367 1.00 0.02 H new ATOM 0 HG12 VAL A 7 -0.793 10.238 -19.878 1.00 0.02 H new ATOM 0 HG13 VAL A 7 -0.649 8.466 -19.798 1.00 0.02 H new ATOM 0 HG21 VAL A 7 -2.202 8.171 -17.146 1.00 42.42 H new ATOM 0 HG22 VAL A 7 -0.665 7.338 -17.484 1.00 42.42 H new ATOM 0 HG23 VAL A 7 -0.821 8.367 -16.041 1.00 42.42 H new ATOM 105 N TYR A 8 1.512 10.857 -19.775 1.00 14.22 N ATOM 106 CA TYR A 8 1.919 12.046 -20.515 1.00 21.41 C ATOM 107 C TYR A 8 0.925 12.362 -21.628 1.00 34.02 C ATOM 108 O TYR A 8 0.491 11.472 -22.360 1.00 10.11 O ATOM 109 CB TYR A 8 3.317 11.850 -21.105 1.00 13.21 C ATOM 110 CG TYR A 8 4.237 13.029 -20.884 1.00 5.01 C ATOM 111 CD1 TYR A 8 4.447 13.543 -19.610 1.00 33.32 C ATOM 112 CD2 TYR A 8 4.897 13.630 -21.949 1.00 24.32 C ATOM 113 CE1 TYR A 8 5.286 14.620 -19.403 1.00 65.00 C ATOM 114 CE2 TYR A 8 5.740 14.706 -21.751 1.00 41.31 C ATOM 115 CZ TYR A 8 5.931 15.198 -20.477 1.00 22.13 C ATOM 116 OH TYR A 8 6.769 16.271 -20.276 1.00 13.21 O ATOM 0 H TYR A 8 1.398 10.021 -20.349 1.00 14.22 H new ATOM 0 HA TYR A 8 1.938 12.886 -19.821 1.00 21.41 H new ATOM 0 HB2 TYR A 8 3.767 10.961 -20.664 1.00 13.21 H new ATOM 0 HB3 TYR A 8 3.228 11.665 -22.175 1.00 13.21 H new ATOM 0 HD1 TYR A 8 3.945 13.092 -18.767 1.00 33.32 H new ATOM 0 HD2 TYR A 8 4.748 13.249 -22.949 1.00 24.32 H new ATOM 0 HE1 TYR A 8 5.436 15.008 -18.406 1.00 65.00 H new ATOM 0 HE2 TYR A 8 6.247 15.160 -22.590 1.00 41.31 H new ATOM 0 HH TYR A 8 7.144 16.558 -21.135 1.00 13.21 H new ATOM 126 N TYR A 9 0.568 13.636 -21.749 1.00 23.21 N ATOM 127 CA TYR A 9 -0.376 14.071 -22.771 1.00 12.42 C ATOM 128 C TYR A 9 0.199 15.224 -23.589 1.00 21.43 C ATOM 129 O TYR A 9 1.320 15.671 -23.348 1.00 45.32 O ATOM 130 CB TYR A 9 -1.696 14.498 -22.126 1.00 52.03 C ATOM 131 CG TYR A 9 -2.454 13.357 -21.486 1.00 1.13 C ATOM 132 CD1 TYR A 9 -2.232 13.009 -20.159 1.00 32.41 C ATOM 133 CD2 TYR A 9 -3.390 12.627 -22.207 1.00 14.10 C ATOM 134 CE1 TYR A 9 -2.922 11.967 -19.569 1.00 65.54 C ATOM 135 CE2 TYR A 9 -4.085 11.585 -21.625 1.00 73.43 C ATOM 136 CZ TYR A 9 -3.847 11.258 -20.307 1.00 33.15 C ATOM 137 OH TYR A 9 -4.536 10.219 -19.724 1.00 15.11 O ATOM 0 H TYR A 9 0.918 14.385 -21.152 1.00 23.21 H new ATOM 0 HA TYR A 9 -0.560 13.231 -23.441 1.00 12.42 H new ATOM 0 HB2 TYR A 9 -1.493 15.257 -21.371 1.00 52.03 H new ATOM 0 HB3 TYR A 9 -2.327 14.963 -22.883 1.00 52.03 H new ATOM 0 HD1 TYR A 9 -1.508 13.562 -19.579 1.00 32.41 H new ATOM 0 HD2 TYR A 9 -3.578 12.878 -23.240 1.00 14.10 H new ATOM 0 HE1 TYR A 9 -2.738 11.709 -18.536 1.00 65.54 H new ATOM 0 HE2 TYR A 9 -4.811 11.029 -22.199 1.00 73.43 H new ATOM 0 HH TYR A 9 -5.287 9.961 -20.299 1.00 15.11 H new ATOM 147 N ASP A 10 -0.577 15.699 -24.556 1.00 14.10 N ATOM 148 CA ASP A 10 -0.148 16.800 -25.410 1.00 4.43 C ATOM 149 C ASP A 10 -1.134 17.962 -25.336 1.00 4.13 C ATOM 150 O ASP A 10 -2.319 17.768 -25.068 1.00 65.21 O ATOM 151 CB ASP A 10 -0.006 16.327 -26.857 1.00 72.31 C ATOM 152 CG ASP A 10 1.195 16.937 -27.551 1.00 45.23 C ATOM 153 OD1 ASP A 10 1.057 18.043 -28.115 1.00 1.44 O ATOM 154 OD2 ASP A 10 2.274 16.309 -27.530 1.00 45.25 O ATOM 0 H ASP A 10 -1.507 15.339 -24.768 1.00 14.10 H new ATOM 0 HA ASP A 10 0.822 17.147 -25.053 1.00 4.43 H new ATOM 0 HB2 ASP A 10 0.081 15.241 -26.874 1.00 72.31 H new ATOM 0 HB3 ASP A 10 -0.910 16.583 -27.410 1.00 72.31 H new ATOM 159 N GLY A 11 -0.635 19.171 -25.574 1.00 3.51 N ATOM 160 CA GLY A 11 -1.485 20.347 -25.528 1.00 62.21 C ATOM 161 C GLY A 11 -2.725 20.199 -26.386 1.00 74.35 C ATOM 162 O GLY A 11 -2.660 20.316 -27.611 1.00 21.14 O ATOM 0 H GLY A 11 0.343 19.357 -25.798 1.00 3.51 H new ATOM 0 HA2 GLY A 11 -1.781 20.537 -24.496 1.00 62.21 H new ATOM 0 HA3 GLY A 11 -0.917 21.215 -25.862 1.00 62.21 H new ATOM 166 N HIS A 12 -3.860 19.939 -25.744 1.00 61.24 N ATOM 167 CA HIS A 12 -5.121 19.773 -26.458 1.00 14.23 C ATOM 168 C HIS A 12 -6.291 19.688 -25.481 1.00 44.11 C ATOM 169 O HIS A 12 -6.261 18.909 -24.527 1.00 41.42 O ATOM 170 CB HIS A 12 -5.078 18.518 -27.330 1.00 3.04 C ATOM 171 CG HIS A 12 -4.840 18.804 -28.780 1.00 53.54 C ATOM 172 ND1 HIS A 12 -3.975 18.068 -29.561 1.00 71.52 N ATOM 173 CD2 HIS A 12 -5.362 19.753 -29.592 1.00 52.34 C ATOM 174 CE1 HIS A 12 -3.974 18.552 -30.790 1.00 62.24 C ATOM 175 NE2 HIS A 12 -4.808 19.575 -30.836 1.00 3.01 N ATOM 0 H HIS A 12 -3.932 19.839 -24.731 1.00 61.24 H new ATOM 0 HA HIS A 12 -5.265 20.644 -27.097 1.00 14.23 H new ATOM 0 HB2 HIS A 12 -4.291 17.858 -26.964 1.00 3.04 H new ATOM 0 HB3 HIS A 12 -6.020 17.980 -27.224 1.00 3.04 H new ATOM 0 HD2 HIS A 12 -6.081 20.510 -29.313 1.00 52.34 H new ATOM 0 HE1 HIS A 12 -3.390 18.175 -31.617 1.00 62.24 H new ATOM 0 HE2 HIS A 12 -5.008 20.141 -31.661 1.00 3.01 H new ATOM 183 N LEU A 13 -7.318 20.494 -25.725 1.00 33.22 N ATOM 184 CA LEU A 13 -8.498 20.510 -24.866 1.00 42.35 C ATOM 185 C LEU A 13 -9.033 19.099 -24.649 1.00 70.53 C ATOM 186 O LEU A 13 -8.735 18.172 -25.404 1.00 1.34 O ATOM 187 CB LEU A 13 -9.587 21.392 -25.480 1.00 1.11 C ATOM 188 CG LEU A 13 -9.749 22.783 -24.866 1.00 40.22 C ATOM 189 CD1 LEU A 13 -8.416 23.514 -24.841 1.00 4.11 C ATOM 190 CD2 LEU A 13 -10.786 23.588 -25.636 1.00 0.12 C ATOM 0 H LEU A 13 -7.358 21.145 -26.510 1.00 33.22 H new ATOM 0 HA LEU A 13 -8.208 20.921 -23.899 1.00 42.35 H new ATOM 0 HB2 LEU A 13 -9.376 21.508 -26.543 1.00 1.11 H new ATOM 0 HB3 LEU A 13 -10.539 20.868 -25.399 1.00 1.11 H new ATOM 0 HG LEU A 13 -10.096 22.668 -23.839 1.00 40.22 H new ATOM 0 HD11 LEU A 13 -8.551 24.502 -24.401 1.00 4.11 H new ATOM 0 HD12 LEU A 13 -7.701 22.946 -24.246 1.00 4.11 H new ATOM 0 HD13 LEU A 13 -8.039 23.619 -25.858 1.00 4.11 H new ATOM 0 HD21 LEU A 13 -10.888 24.575 -25.185 1.00 0.12 H new ATOM 0 HD22 LEU A 13 -10.468 23.694 -26.673 1.00 0.12 H new ATOM 0 HD23 LEU A 13 -11.746 23.072 -25.602 1.00 0.12 H new ATOM 202 N PRO A 14 -9.845 18.929 -23.595 1.00 25.21 N ATOM 203 CA PRO A 14 -10.441 17.633 -23.255 1.00 41.45 C ATOM 204 C PRO A 14 -11.499 17.201 -24.264 1.00 75.51 C ATOM 205 O PRO A 14 -11.986 16.071 -24.221 1.00 14.22 O ATOM 206 CB PRO A 14 -11.078 17.884 -21.886 1.00 63.12 C ATOM 207 CG PRO A 14 -11.345 19.349 -21.855 1.00 54.14 C ATOM 208 CD PRO A 14 -10.243 19.988 -22.653 1.00 43.42 C ATOM 0 HA PRO A 14 -9.703 16.831 -23.256 1.00 41.45 H new ATOM 0 HB2 PRO A 14 -11.998 17.311 -21.766 1.00 63.12 H new ATOM 0 HB3 PRO A 14 -10.410 17.586 -21.078 1.00 63.12 H new ATOM 0 HG2 PRO A 14 -12.320 19.577 -22.285 1.00 54.14 H new ATOM 0 HG3 PRO A 14 -11.352 19.723 -20.831 1.00 54.14 H new ATOM 0 HD2 PRO A 14 -10.590 20.880 -23.175 1.00 43.42 H new ATOM 0 HD3 PRO A 14 -9.412 20.293 -22.017 1.00 43.42 H new ATOM 216 N ALA A 15 -11.851 18.106 -25.171 1.00 61.35 N ATOM 217 CA ALA A 15 -12.850 17.816 -26.192 1.00 70.15 C ATOM 218 C ALA A 15 -12.292 16.876 -27.255 1.00 60.34 C ATOM 219 O ALA A 15 -12.999 16.003 -27.761 1.00 2.10 O ATOM 220 CB ALA A 15 -13.341 19.106 -26.832 1.00 0.43 C ATOM 0 H ALA A 15 -11.459 19.046 -25.220 1.00 61.35 H new ATOM 0 HA ALA A 15 -13.692 17.319 -25.710 1.00 70.15 H new ATOM 0 HB1 ALA A 15 -14.087 18.874 -27.593 1.00 0.43 H new ATOM 0 HB2 ALA A 15 -13.787 19.744 -26.069 1.00 0.43 H new ATOM 0 HB3 ALA A 15 -12.501 19.626 -27.294 1.00 0.43 H new ATOM 226 N THR A 16 -11.019 17.059 -27.592 1.00 1.12 N ATOM 227 CA THR A 16 -10.366 16.229 -28.596 1.00 75.42 C ATOM 228 C THR A 16 -8.953 15.854 -28.166 1.00 21.00 C ATOM 229 O THR A 16 -8.082 15.614 -29.003 1.00 34.32 O ATOM 230 CB THR A 16 -10.304 16.942 -29.960 1.00 62.42 C ATOM 231 OG1 THR A 16 -11.343 17.922 -30.048 1.00 53.55 O ATOM 232 CG2 THR A 16 -10.444 15.943 -31.099 1.00 44.35 C ATOM 0 H THR A 16 -10.419 17.776 -27.183 1.00 1.12 H new ATOM 0 HA THR A 16 -10.964 15.323 -28.695 1.00 75.42 H new ATOM 0 HB THR A 16 -9.335 17.433 -30.045 1.00 62.42 H new ATOM 0 HG1 THR A 16 -11.296 18.372 -30.917 1.00 53.55 H new ATOM 0 HG21 THR A 16 -10.397 16.469 -32.052 1.00 44.35 H new ATOM 0 HG22 THR A 16 -9.634 15.215 -31.046 1.00 44.35 H new ATOM 0 HG23 THR A 16 -11.401 15.428 -31.015 1.00 44.35 H new ATOM 240 N ARG A 17 -8.731 15.805 -26.857 1.00 12.35 N ATOM 241 CA ARG A 17 -7.422 15.460 -26.316 1.00 31.04 C ATOM 242 C ARG A 17 -6.910 14.156 -26.921 1.00 53.21 C ATOM 243 O ARG A 17 -7.679 13.379 -27.487 1.00 63.42 O ATOM 244 CB ARG A 17 -7.493 15.334 -24.793 1.00 1.24 C ATOM 245 CG ARG A 17 -8.190 14.070 -24.318 1.00 34.03 C ATOM 246 CD ARG A 17 -9.037 14.331 -23.082 1.00 4.44 C ATOM 247 NE ARG A 17 -9.429 13.093 -22.415 1.00 30.31 N ATOM 248 CZ ARG A 17 -8.623 12.400 -21.618 1.00 71.21 C ATOM 249 NH1 ARG A 17 -7.387 12.823 -21.390 1.00 34.43 N ATOM 250 NH2 ARG A 17 -9.053 11.282 -21.048 1.00 20.45 N ATOM 0 H ARG A 17 -9.441 16.000 -26.151 1.00 12.35 H new ATOM 0 HA ARG A 17 -6.727 16.259 -26.576 1.00 31.04 H new ATOM 0 HB2 ARG A 17 -6.481 15.355 -24.388 1.00 1.24 H new ATOM 0 HB3 ARG A 17 -8.016 16.201 -24.389 1.00 1.24 H new ATOM 0 HG2 ARG A 17 -8.821 13.679 -25.117 1.00 34.03 H new ATOM 0 HG3 ARG A 17 -7.446 13.305 -24.096 1.00 34.03 H new ATOM 0 HD2 ARG A 17 -8.479 14.957 -22.386 1.00 4.44 H new ATOM 0 HD3 ARG A 17 -9.930 14.888 -23.366 1.00 4.44 H new ATOM 0 HE ARG A 17 -10.374 12.741 -22.569 1.00 30.31 H new ATOM 0 HH11 ARG A 17 -7.053 13.682 -21.827 1.00 34.43 H new ATOM 0 HH12 ARG A 17 -6.770 12.289 -20.778 1.00 34.43 H new ATOM 0 HH21 ARG A 17 -10.003 10.954 -21.222 1.00 20.45 H new ATOM 0 HH22 ARG A 17 -8.434 10.751 -20.436 1.00 20.45 H new ATOM 264 N VAL A 18 -5.607 13.924 -26.798 1.00 52.02 N ATOM 265 CA VAL A 18 -4.992 12.715 -27.333 1.00 34.35 C ATOM 266 C VAL A 18 -3.870 12.222 -26.426 1.00 43.53 C ATOM 267 O VAL A 18 -2.874 12.918 -26.219 1.00 34.14 O ATOM 268 CB VAL A 18 -4.430 12.949 -28.747 1.00 71.02 C ATOM 269 CG1 VAL A 18 -3.930 11.643 -29.346 1.00 42.31 C ATOM 270 CG2 VAL A 18 -5.484 13.585 -29.640 1.00 51.54 C ATOM 0 H VAL A 18 -4.957 14.557 -26.333 1.00 52.02 H new ATOM 0 HA VAL A 18 -5.774 11.957 -27.383 1.00 34.35 H new ATOM 0 HB VAL A 18 -3.586 13.635 -28.675 1.00 71.02 H new ATOM 0 HG11 VAL A 18 -3.536 11.828 -30.345 1.00 42.31 H new ATOM 0 HG12 VAL A 18 -3.141 11.232 -28.716 1.00 42.31 H new ATOM 0 HG13 VAL A 18 -4.754 10.932 -29.406 1.00 42.31 H new ATOM 0 HG21 VAL A 18 -5.070 13.743 -30.636 1.00 51.54 H new ATOM 0 HG22 VAL A 18 -6.349 12.926 -29.708 1.00 51.54 H new ATOM 0 HG23 VAL A 18 -5.789 14.542 -29.218 1.00 51.54 H new ATOM 280 N LEU A 19 -4.035 11.019 -25.889 1.00 15.01 N ATOM 281 CA LEU A 19 -3.035 10.432 -25.004 1.00 72.21 C ATOM 282 C LEU A 19 -1.787 10.030 -25.784 1.00 33.12 C ATOM 283 O LEU A 19 -1.878 9.428 -26.855 1.00 12.23 O ATOM 284 CB LEU A 19 -3.615 9.213 -24.284 1.00 51.11 C ATOM 285 CG LEU A 19 -2.691 8.525 -23.279 1.00 31.13 C ATOM 286 CD1 LEU A 19 -3.462 8.128 -22.030 1.00 34.13 C ATOM 287 CD2 LEU A 19 -2.030 7.308 -23.909 1.00 25.13 C ATOM 0 H LEU A 19 -4.852 10.430 -26.051 1.00 15.01 H new ATOM 0 HA LEU A 19 -2.754 11.183 -24.265 1.00 72.21 H new ATOM 0 HB2 LEU A 19 -4.521 9.521 -23.762 1.00 51.11 H new ATOM 0 HB3 LEU A 19 -3.913 8.480 -25.034 1.00 51.11 H new ATOM 0 HG LEU A 19 -1.911 9.229 -22.991 1.00 31.13 H new ATOM 0 HD11 LEU A 19 -2.788 7.640 -21.326 1.00 34.13 H new ATOM 0 HD12 LEU A 19 -3.888 9.018 -21.567 1.00 34.13 H new ATOM 0 HD13 LEU A 19 -4.264 7.441 -22.300 1.00 34.13 H new ATOM 0 HD21 LEU A 19 -1.376 6.831 -23.179 1.00 25.13 H new ATOM 0 HD22 LEU A 19 -2.797 6.601 -24.226 1.00 25.13 H new ATOM 0 HD23 LEU A 19 -1.443 7.619 -24.773 1.00 25.13 H new ATOM 299 N LEU A 20 -0.623 10.364 -25.239 1.00 43.32 N ATOM 300 CA LEU A 20 0.645 10.036 -25.882 1.00 51.34 C ATOM 301 C LEU A 20 1.057 8.601 -25.573 1.00 60.41 C ATOM 302 O LEU A 20 1.127 7.758 -26.468 1.00 4.43 O ATOM 303 CB LEU A 20 1.738 11.003 -25.423 1.00 32.13 C ATOM 304 CG LEU A 20 1.450 12.490 -25.633 1.00 65.11 C ATOM 305 CD1 LEU A 20 2.364 13.339 -24.763 1.00 25.51 C ATOM 306 CD2 LEU A 20 1.611 12.862 -27.100 1.00 22.11 C ATOM 0 H LEU A 20 -0.530 10.862 -24.353 1.00 43.32 H new ATOM 0 HA LEU A 20 0.513 10.132 -26.960 1.00 51.34 H new ATOM 0 HB2 LEU A 20 1.921 10.835 -24.362 1.00 32.13 H new ATOM 0 HB3 LEU A 20 2.660 10.754 -25.949 1.00 32.13 H new ATOM 0 HG LEU A 20 0.419 12.686 -25.340 1.00 65.11 H new ATOM 0 HD11 LEU A 20 2.144 14.394 -24.926 1.00 25.51 H new ATOM 0 HD12 LEU A 20 2.200 13.092 -23.714 1.00 25.51 H new ATOM 0 HD13 LEU A 20 3.403 13.140 -25.025 1.00 25.51 H new ATOM 0 HD21 LEU A 20 1.402 13.924 -27.231 1.00 22.11 H new ATOM 0 HD22 LEU A 20 2.632 12.651 -27.419 1.00 22.11 H new ATOM 0 HD23 LEU A 20 0.915 12.278 -27.702 1.00 22.11 H new ATOM 318 N MET A 21 1.326 8.329 -24.300 1.00 63.24 N ATOM 319 CA MET A 21 1.728 6.994 -23.873 1.00 31.31 C ATOM 320 C MET A 21 1.956 6.951 -22.365 1.00 54.12 C ATOM 321 O MET A 21 2.255 7.971 -21.744 1.00 13.21 O ATOM 322 CB MET A 21 3.000 6.562 -24.605 1.00 31.41 C ATOM 323 CG MET A 21 2.775 5.435 -25.600 1.00 63.40 C ATOM 324 SD MET A 21 3.967 4.095 -25.412 1.00 71.54 S ATOM 325 CE MET A 21 5.395 4.794 -26.236 1.00 64.11 C ATOM 0 H MET A 21 1.273 9.015 -23.547 1.00 63.24 H new ATOM 0 HA MET A 21 0.922 6.303 -24.121 1.00 31.31 H new ATOM 0 HB2 MET A 21 3.417 7.421 -25.130 1.00 31.41 H new ATOM 0 HB3 MET A 21 3.742 6.246 -23.872 1.00 31.41 H new ATOM 0 HG2 MET A 21 1.767 5.040 -25.474 1.00 63.40 H new ATOM 0 HG3 MET A 21 2.837 5.832 -26.613 1.00 63.40 H new ATOM 0 HE1 MET A 21 6.219 4.081 -26.203 1.00 64.11 H new ATOM 0 HE2 MET A 21 5.145 5.013 -27.274 1.00 64.11 H new ATOM 0 HE3 MET A 21 5.691 5.714 -25.733 1.00 64.11 H new ATOM 335 N TYR A 22 1.812 5.766 -21.783 1.00 60.11 N ATOM 336 CA TYR A 22 1.999 5.592 -20.348 1.00 24.44 C ATOM 337 C TYR A 22 3.470 5.357 -20.015 1.00 33.03 C ATOM 338 O TYR A 22 4.161 4.603 -20.699 1.00 72.44 O ATOM 339 CB TYR A 22 1.157 4.420 -19.841 1.00 11.05 C ATOM 340 CG TYR A 22 -0.320 4.732 -19.746 1.00 44.03 C ATOM 341 CD1 TYR A 22 -1.086 4.910 -20.891 1.00 73.15 C ATOM 342 CD2 TYR A 22 -0.948 4.850 -18.513 1.00 3.03 C ATOM 343 CE1 TYR A 22 -2.436 5.196 -20.810 1.00 65.24 C ATOM 344 CE2 TYR A 22 -2.296 5.134 -18.422 1.00 55.22 C ATOM 345 CZ TYR A 22 -3.036 5.306 -19.574 1.00 10.43 C ATOM 346 OH TYR A 22 -4.380 5.591 -19.488 1.00 4.04 O ATOM 0 H TYR A 22 1.566 4.912 -22.283 1.00 60.11 H new ATOM 0 HA TYR A 22 1.674 6.506 -19.852 1.00 24.44 H new ATOM 0 HB2 TYR A 22 1.298 3.568 -20.506 1.00 11.05 H new ATOM 0 HB3 TYR A 22 1.521 4.121 -18.858 1.00 11.05 H new ATOM 0 HD1 TYR A 22 -0.619 4.823 -21.861 1.00 73.15 H new ATOM 0 HD2 TYR A 22 -0.372 4.717 -17.609 1.00 3.03 H new ATOM 0 HE1 TYR A 22 -3.017 5.332 -21.710 1.00 65.24 H new ATOM 0 HE2 TYR A 22 -2.769 5.221 -17.455 1.00 55.22 H new ATOM 0 HH TYR A 22 -4.646 5.633 -18.546 1.00 4.04 H new ATOM 356 N VAL A 23 3.942 6.009 -18.957 1.00 15.03 N ATOM 357 CA VAL A 23 5.329 5.871 -18.530 1.00 12.30 C ATOM 358 C VAL A 23 5.419 5.218 -17.156 1.00 33.44 C ATOM 359 O VAL A 23 5.051 5.818 -16.146 1.00 52.40 O ATOM 360 CB VAL A 23 6.040 7.237 -18.484 1.00 62.34 C ATOM 361 CG1 VAL A 23 7.488 7.071 -18.047 1.00 73.55 C ATOM 362 CG2 VAL A 23 5.959 7.925 -19.839 1.00 21.42 C ATOM 0 H VAL A 23 3.384 6.638 -18.380 1.00 15.03 H new ATOM 0 HA VAL A 23 5.824 5.235 -19.264 1.00 12.30 H new ATOM 0 HB VAL A 23 5.534 7.866 -17.751 1.00 62.34 H new ATOM 0 HG11 VAL A 23 7.974 8.046 -18.020 1.00 73.55 H new ATOM 0 HG12 VAL A 23 7.519 6.623 -17.054 1.00 73.55 H new ATOM 0 HG13 VAL A 23 8.009 6.425 -18.753 1.00 73.55 H new ATOM 0 HG21 VAL A 23 6.466 8.889 -19.789 1.00 21.42 H new ATOM 0 HG22 VAL A 23 6.439 7.301 -20.593 1.00 21.42 H new ATOM 0 HG23 VAL A 23 4.914 8.079 -20.107 1.00 21.42 H new ATOM 372 N ARG A 24 5.911 3.983 -17.125 1.00 12.55 N ATOM 373 CA ARG A 24 6.049 3.247 -15.874 1.00 13.22 C ATOM 374 C ARG A 24 7.155 3.845 -15.010 1.00 2.41 C ATOM 375 O ARG A 24 8.238 4.162 -15.503 1.00 41.41 O ATOM 376 CB ARG A 24 6.347 1.773 -16.155 1.00 10.40 C ATOM 377 CG ARG A 24 6.174 0.875 -14.941 1.00 62.34 C ATOM 378 CD ARG A 24 5.819 -0.547 -15.347 1.00 70.12 C ATOM 379 NE ARG A 24 5.578 -1.403 -14.189 1.00 12.14 N ATOM 380 CZ ARG A 24 5.234 -2.683 -14.279 1.00 51.22 C ATOM 381 NH1 ARG A 24 5.092 -3.252 -15.468 1.00 50.03 N ATOM 382 NH2 ARG A 24 5.032 -3.396 -13.179 1.00 34.21 N ATOM 0 H ARG A 24 6.220 3.472 -17.952 1.00 12.55 H new ATOM 0 HA ARG A 24 5.107 3.323 -15.331 1.00 13.22 H new ATOM 0 HB2 ARG A 24 5.690 1.424 -16.952 1.00 10.40 H new ATOM 0 HB3 ARG A 24 7.369 1.681 -16.522 1.00 10.40 H new ATOM 0 HG2 ARG A 24 7.094 0.869 -14.357 1.00 62.34 H new ATOM 0 HG3 ARG A 24 5.391 1.277 -14.298 1.00 62.34 H new ATOM 0 HD2 ARG A 24 4.930 -0.533 -15.978 1.00 70.12 H new ATOM 0 HD3 ARG A 24 6.628 -0.966 -15.945 1.00 70.12 H new ATOM 0 HE ARG A 24 5.679 -0.996 -13.259 1.00 12.14 H new ATOM 0 HH11 ARG A 24 5.247 -2.707 -16.316 1.00 50.03 H new ATOM 0 HH12 ARG A 24 4.828 -4.235 -15.535 1.00 50.03 H new ATOM 0 HH21 ARG A 24 5.141 -2.962 -12.263 1.00 34.21 H new ATOM 0 HH22 ARG A 24 4.768 -4.379 -13.250 1.00 34.21 H new ATOM 396 N ILE A 25 6.875 3.997 -13.720 1.00 31.00 N ATOM 397 CA ILE A 25 7.846 4.556 -12.788 1.00 44.33 C ATOM 398 C ILE A 25 8.873 3.509 -12.371 1.00 5.43 C ATOM 399 O ILE A 25 9.028 3.213 -11.187 1.00 15.55 O ATOM 400 CB ILE A 25 7.160 5.117 -11.529 1.00 22.03 C ATOM 401 CG1 ILE A 25 5.955 5.976 -11.917 1.00 72.54 C ATOM 402 CG2 ILE A 25 8.149 5.926 -10.702 1.00 60.24 C ATOM 403 CD1 ILE A 25 5.207 6.540 -10.730 1.00 31.01 C ATOM 0 H ILE A 25 5.983 3.741 -13.296 1.00 31.00 H new ATOM 0 HA ILE A 25 8.351 5.370 -13.309 1.00 44.33 H new ATOM 0 HB ILE A 25 6.807 4.282 -10.924 1.00 22.03 H new ATOM 0 HG12 ILE A 25 6.293 6.799 -12.547 1.00 72.54 H new ATOM 0 HG13 ILE A 25 5.270 5.377 -12.516 1.00 72.54 H new ATOM 0 HG21 ILE A 25 7.649 6.316 -9.815 1.00 60.24 H new ATOM 0 HG22 ILE A 25 8.978 5.287 -10.399 1.00 60.24 H new ATOM 0 HG23 ILE A 25 8.529 6.755 -11.298 1.00 60.24 H new ATOM 0 HD11 ILE A 25 4.366 7.138 -11.081 1.00 31.01 H new ATOM 0 HD12 ILE A 25 4.838 5.723 -10.111 1.00 31.01 H new ATOM 0 HD13 ILE A 25 5.877 7.167 -10.142 1.00 31.01 H new ATOM 415 N GLY A 26 9.576 2.953 -13.353 1.00 21.43 N ATOM 416 CA GLY A 26 10.581 1.946 -13.067 1.00 24.20 C ATOM 417 C GLY A 26 11.925 2.276 -13.686 1.00 41.10 C ATOM 418 O GLY A 26 12.973 1.964 -13.119 1.00 72.31 O ATOM 0 H GLY A 26 9.467 3.182 -14.341 1.00 21.43 H new ATOM 0 HA2 GLY A 26 10.696 1.848 -11.988 1.00 24.20 H new ATOM 0 HA3 GLY A 26 10.240 0.980 -13.440 1.00 24.20 H new ATOM 422 N THR A 27 11.897 2.909 -14.855 1.00 0.01 N ATOM 423 CA THR A 27 13.122 3.279 -15.553 1.00 55.31 C ATOM 424 C THR A 27 12.937 4.573 -16.338 1.00 70.35 C ATOM 425 O THR A 27 11.831 5.108 -16.424 1.00 20.24 O ATOM 426 CB THR A 27 13.577 2.167 -16.517 1.00 12.31 C ATOM 427 OG1 THR A 27 14.884 2.462 -17.023 1.00 14.13 O ATOM 428 CG2 THR A 27 12.601 2.021 -17.674 1.00 55.34 C ATOM 0 H THR A 27 11.039 3.176 -15.338 1.00 0.01 H new ATOM 0 HA THR A 27 13.888 3.425 -14.792 1.00 55.31 H new ATOM 0 HB THR A 27 13.605 1.227 -15.965 1.00 12.31 H new ATOM 0 HG1 THR A 27 15.167 1.750 -17.634 1.00 14.13 H new ATOM 0 HG21 THR A 27 12.943 1.230 -18.341 1.00 55.34 H new ATOM 0 HG22 THR A 27 11.614 1.768 -17.287 1.00 55.34 H new ATOM 0 HG23 THR A 27 12.545 2.961 -18.224 1.00 55.34 H new ATOM 436 N THR A 28 14.027 5.072 -16.913 1.00 22.32 N ATOM 437 CA THR A 28 13.986 6.303 -17.691 1.00 55.12 C ATOM 438 C THR A 28 13.862 6.008 -19.182 1.00 30.54 C ATOM 439 O THR A 28 14.675 5.278 -19.749 1.00 10.42 O ATOM 440 CB THR A 28 15.242 7.162 -17.452 1.00 71.32 C ATOM 441 OG1 THR A 28 16.417 6.349 -17.550 1.00 34.35 O ATOM 442 CG2 THR A 28 15.191 7.826 -16.085 1.00 11.42 C ATOM 0 H THR A 28 14.950 4.641 -16.854 1.00 22.32 H new ATOM 0 HA THR A 28 13.108 6.857 -17.359 1.00 55.12 H new ATOM 0 HB THR A 28 15.274 7.940 -18.215 1.00 71.32 H new ATOM 0 HG1 THR A 28 16.302 5.693 -18.269 1.00 34.35 H new ATOM 0 HG21 THR A 28 16.088 8.427 -15.939 1.00 11.42 H new ATOM 0 HG22 THR A 28 14.311 8.467 -16.024 1.00 11.42 H new ATOM 0 HG23 THR A 28 15.137 7.061 -15.311 1.00 11.42 H new ATOM 450 N ALA A 29 12.840 6.579 -19.811 1.00 21.33 N ATOM 451 CA ALA A 29 12.612 6.378 -21.236 1.00 42.33 C ATOM 452 C ALA A 29 12.312 7.700 -21.935 1.00 71.24 C ATOM 453 O ALA A 29 12.184 8.741 -21.290 1.00 75.13 O ATOM 454 CB ALA A 29 11.474 5.393 -21.455 1.00 61.54 C ATOM 0 H ALA A 29 12.157 7.184 -19.356 1.00 21.33 H new ATOM 0 HA ALA A 29 13.523 5.965 -21.670 1.00 42.33 H new ATOM 0 HB1 ALA A 29 11.315 5.253 -22.524 1.00 61.54 H new ATOM 0 HB2 ALA A 29 11.727 4.437 -20.997 1.00 61.54 H new ATOM 0 HB3 ALA A 29 10.563 5.783 -21.001 1.00 61.54 H new ATOM 460 N THR A 30 12.201 7.652 -23.259 1.00 64.05 N ATOM 461 CA THR A 30 11.918 8.845 -24.046 1.00 42.54 C ATOM 462 C THR A 30 10.551 8.752 -24.715 1.00 22.15 C ATOM 463 O THR A 30 10.109 7.667 -25.094 1.00 54.42 O ATOM 464 CB THR A 30 12.991 9.073 -25.128 1.00 21.01 C ATOM 465 OG1 THR A 30 14.226 8.467 -24.728 1.00 54.24 O ATOM 466 CG2 THR A 30 13.206 10.559 -25.373 1.00 75.13 C ATOM 0 H THR A 30 12.303 6.799 -23.809 1.00 64.05 H new ATOM 0 HA THR A 30 11.925 9.687 -23.354 1.00 42.54 H new ATOM 0 HB THR A 30 12.644 8.615 -26.054 1.00 21.01 H new ATOM 0 HG1 THR A 30 14.903 8.615 -25.421 1.00 54.24 H new ATOM 0 HG21 THR A 30 13.968 10.695 -26.141 1.00 75.13 H new ATOM 0 HG22 THR A 30 12.272 11.012 -25.705 1.00 75.13 H new ATOM 0 HG23 THR A 30 13.533 11.037 -24.449 1.00 75.13 H new ATOM 474 N ILE A 31 9.887 9.894 -24.856 1.00 4.34 N ATOM 475 CA ILE A 31 8.571 9.940 -25.480 1.00 42.31 C ATOM 476 C ILE A 31 8.630 10.636 -26.836 1.00 31.12 C ATOM 477 O ILE A 31 9.381 11.594 -27.023 1.00 53.01 O ATOM 478 CB ILE A 31 7.549 10.667 -24.586 1.00 42.44 C ATOM 479 CG1 ILE A 31 7.470 9.995 -23.214 1.00 53.42 C ATOM 480 CG2 ILE A 31 6.182 10.686 -25.253 1.00 13.40 C ATOM 481 CD1 ILE A 31 6.654 10.774 -22.206 1.00 54.13 C ATOM 0 H ILE A 31 10.239 10.800 -24.546 1.00 4.34 H new ATOM 0 HA ILE A 31 8.251 8.907 -25.618 1.00 42.31 H new ATOM 0 HB ILE A 31 7.878 11.697 -24.446 1.00 42.44 H new ATOM 0 HG12 ILE A 31 7.037 9.001 -23.329 1.00 53.42 H new ATOM 0 HG13 ILE A 31 8.480 9.860 -22.826 1.00 53.42 H new ATOM 0 HG21 ILE A 31 5.470 11.203 -24.609 1.00 13.40 H new ATOM 0 HG22 ILE A 31 6.251 11.205 -26.209 1.00 13.40 H new ATOM 0 HG23 ILE A 31 5.844 9.663 -25.419 1.00 13.40 H new ATOM 0 HD11 ILE A 31 6.641 10.239 -21.257 1.00 54.13 H new ATOM 0 HD12 ILE A 31 7.098 11.759 -22.061 1.00 54.13 H new ATOM 0 HD13 ILE A 31 5.634 10.887 -22.573 1.00 54.13 H new ATOM 493 N THR A 32 7.831 10.149 -27.780 1.00 70.42 N ATOM 494 CA THR A 32 7.791 10.723 -29.119 1.00 10.21 C ATOM 495 C THR A 32 6.495 11.492 -29.349 1.00 33.42 C ATOM 496 O THR A 32 5.406 10.920 -29.300 1.00 61.33 O ATOM 497 CB THR A 32 7.929 9.636 -30.201 1.00 71.03 C ATOM 498 OG1 THR A 32 8.724 8.552 -29.708 1.00 74.31 O ATOM 499 CG2 THR A 32 8.564 10.204 -31.461 1.00 54.45 C ATOM 0 H THR A 32 7.202 9.358 -27.642 1.00 70.42 H new ATOM 0 HA THR A 32 8.635 11.408 -29.194 1.00 10.21 H new ATOM 0 HB THR A 32 6.932 9.272 -30.448 1.00 71.03 H new ATOM 0 HG1 THR A 32 8.805 7.864 -30.401 1.00 74.31 H new ATOM 0 HG21 THR A 32 8.651 9.418 -32.211 1.00 54.45 H new ATOM 0 HG22 THR A 32 7.942 11.010 -31.851 1.00 54.45 H new ATOM 0 HG23 THR A 32 9.555 10.592 -31.226 1.00 54.45 H new ATOM 507 N ALA A 33 6.619 12.791 -29.600 1.00 71.30 N ATOM 508 CA ALA A 33 5.457 13.637 -29.840 1.00 74.14 C ATOM 509 C ALA A 33 5.813 14.816 -30.739 1.00 54.22 C ATOM 510 O ALA A 33 6.838 15.470 -30.545 1.00 34.14 O ATOM 511 CB ALA A 33 4.882 14.131 -28.521 1.00 74.12 C ATOM 0 H ALA A 33 7.513 13.280 -29.642 1.00 71.30 H new ATOM 0 HA ALA A 33 4.702 13.039 -30.351 1.00 74.14 H new ATOM 0 HB1 ALA A 33 4.015 14.762 -28.716 1.00 74.12 H new ATOM 0 HB2 ALA A 33 4.581 13.278 -27.913 1.00 74.12 H new ATOM 0 HB3 ALA A 33 5.638 14.708 -27.988 1.00 74.12 H new ATOM 517 N ARG A 34 4.960 15.082 -31.724 1.00 4.33 N ATOM 518 CA ARG A 34 5.187 16.182 -32.654 1.00 13.03 C ATOM 519 C ARG A 34 6.570 16.080 -33.290 1.00 12.11 C ATOM 520 O ARG A 34 7.270 17.080 -33.440 1.00 44.12 O ATOM 521 CB ARG A 34 5.042 17.524 -31.934 1.00 41.33 C ATOM 522 CG ARG A 34 3.734 17.670 -31.174 1.00 52.35 C ATOM 523 CD ARG A 34 3.137 19.057 -31.354 1.00 40.42 C ATOM 524 NE ARG A 34 2.163 19.098 -32.442 1.00 64.30 N ATOM 525 CZ ARG A 34 1.751 20.221 -33.018 1.00 43.32 C ATOM 526 NH1 ARG A 34 2.226 21.391 -32.613 1.00 21.02 N ATOM 527 NH2 ARG A 34 0.863 20.176 -34.003 1.00 13.44 N ATOM 0 H ARG A 34 4.107 14.551 -31.898 1.00 4.33 H new ATOM 0 HA ARG A 34 4.438 16.118 -33.443 1.00 13.03 H new ATOM 0 HB2 ARG A 34 5.872 17.645 -31.238 1.00 41.33 H new ATOM 0 HB3 ARG A 34 5.119 18.329 -32.665 1.00 41.33 H new ATOM 0 HG2 ARG A 34 3.024 16.919 -31.522 1.00 52.35 H new ATOM 0 HG3 ARG A 34 3.905 17.481 -30.114 1.00 52.35 H new ATOM 0 HD2 ARG A 34 2.657 19.368 -30.426 1.00 40.42 H new ATOM 0 HD3 ARG A 34 3.935 19.772 -31.555 1.00 40.42 H new ATOM 0 HE ARG A 34 1.778 18.215 -32.778 1.00 64.30 H new ATOM 0 HH11 ARG A 34 2.910 21.430 -31.857 1.00 21.02 H new ATOM 0 HH12 ARG A 34 1.908 22.252 -33.057 1.00 21.02 H new ATOM 0 HH21 ARG A 34 0.496 19.278 -34.318 1.00 13.44 H new ATOM 0 HH22 ARG A 34 0.547 21.039 -34.445 1.00 13.44 H new ATOM 541 N GLY A 35 6.957 14.863 -33.662 1.00 13.44 N ATOM 542 CA GLY A 35 8.254 14.653 -34.276 1.00 43.13 C ATOM 543 C GLY A 35 9.399 15.039 -33.361 1.00 21.34 C ATOM 544 O GLY A 35 10.518 15.273 -33.818 1.00 40.13 O ATOM 0 H GLY A 35 6.395 14.019 -33.549 1.00 13.44 H new ATOM 0 HA2 GLY A 35 8.354 13.604 -34.556 1.00 43.13 H new ATOM 0 HA3 GLY A 35 8.316 15.235 -35.195 1.00 43.13 H new ATOM 548 N HIS A 36 9.120 15.107 -32.063 1.00 33.42 N ATOM 549 CA HIS A 36 10.135 15.468 -31.080 1.00 61.01 C ATOM 550 C HIS A 36 10.300 14.365 -30.039 1.00 1.23 C ATOM 551 O HIS A 36 9.375 13.594 -29.787 1.00 20.03 O ATOM 552 CB HIS A 36 9.765 16.783 -30.393 1.00 62.12 C ATOM 553 CG HIS A 36 10.578 17.951 -30.859 1.00 2.41 C ATOM 554 ND1 HIS A 36 11.878 18.173 -30.455 1.00 33.03 N ATOM 555 CD2 HIS A 36 10.270 18.965 -31.701 1.00 53.02 C ATOM 556 CE1 HIS A 36 12.333 19.273 -31.027 1.00 11.33 C ATOM 557 NE2 HIS A 36 11.377 19.773 -31.789 1.00 34.04 N ATOM 0 H HIS A 36 8.199 14.917 -31.668 1.00 33.42 H new ATOM 0 HA HIS A 36 11.083 15.594 -31.603 1.00 61.01 H new ATOM 0 HB2 HIS A 36 8.710 16.992 -30.570 1.00 62.12 H new ATOM 0 HB3 HIS A 36 9.891 16.669 -29.316 1.00 62.12 H new ATOM 0 HD2 HIS A 36 9.328 19.111 -32.209 1.00 53.02 H new ATOM 0 HE1 HIS A 36 13.319 19.692 -30.894 1.00 11.33 H new ATOM 0 HE2 HIS A 36 11.449 20.621 -32.351 1.00 34.04 H new ATOM 565 N GLU A 37 11.484 14.297 -29.438 1.00 42.12 N ATOM 566 CA GLU A 37 11.770 13.287 -28.426 1.00 14.33 C ATOM 567 C GLU A 37 11.942 13.928 -27.052 1.00 11.25 C ATOM 568 O GLU A 37 12.894 14.672 -26.816 1.00 50.52 O ATOM 569 CB GLU A 37 13.030 12.503 -28.797 1.00 2.35 C ATOM 570 CG GLU A 37 14.193 13.385 -29.219 1.00 41.11 C ATOM 571 CD GLU A 37 15.405 12.584 -29.654 1.00 20.14 C ATOM 572 OE1 GLU A 37 15.340 11.338 -29.609 1.00 23.33 O ATOM 573 OE2 GLU A 37 16.418 13.204 -30.039 1.00 4.01 O ATOM 0 H GLU A 37 12.260 14.929 -29.634 1.00 42.12 H new ATOM 0 HA GLU A 37 10.924 12.601 -28.385 1.00 14.33 H new ATOM 0 HB2 GLU A 37 13.335 11.897 -27.944 1.00 2.35 H new ATOM 0 HB3 GLU A 37 12.794 11.815 -29.608 1.00 2.35 H new ATOM 0 HG2 GLU A 37 13.876 14.031 -30.038 1.00 41.11 H new ATOM 0 HG3 GLU A 37 14.471 14.035 -28.389 1.00 41.11 H new ATOM 580 N PHE A 38 11.013 13.634 -26.147 1.00 43.15 N ATOM 581 CA PHE A 38 11.061 14.182 -24.797 1.00 15.10 C ATOM 582 C PHE A 38 11.476 13.113 -23.791 1.00 5.35 C ATOM 583 O PHE A 38 10.738 12.162 -23.540 1.00 71.42 O ATOM 584 CB PHE A 38 9.698 14.760 -24.410 1.00 75.13 C ATOM 585 CG PHE A 38 9.191 15.796 -25.372 1.00 42.51 C ATOM 586 CD1 PHE A 38 9.944 16.925 -25.655 1.00 22.30 C ATOM 587 CD2 PHE A 38 7.963 15.642 -25.994 1.00 15.53 C ATOM 588 CE1 PHE A 38 9.480 17.880 -26.539 1.00 41.30 C ATOM 589 CE2 PHE A 38 7.493 16.595 -26.879 1.00 64.31 C ATOM 590 CZ PHE A 38 8.254 17.715 -27.153 1.00 32.42 C ATOM 0 H PHE A 38 10.219 13.020 -26.325 1.00 43.15 H new ATOM 0 HA PHE A 38 11.804 14.979 -24.781 1.00 15.10 H new ATOM 0 HB2 PHE A 38 8.973 13.949 -24.347 1.00 75.13 H new ATOM 0 HB3 PHE A 38 9.769 15.202 -23.416 1.00 75.13 H new ATOM 0 HD1 PHE A 38 10.904 17.060 -25.179 1.00 22.30 H new ATOM 0 HD2 PHE A 38 7.365 14.767 -25.785 1.00 15.53 H new ATOM 0 HE1 PHE A 38 10.076 18.756 -26.750 1.00 41.30 H new ATOM 0 HE2 PHE A 38 6.533 16.464 -27.355 1.00 64.31 H new ATOM 0 HZ PHE A 38 7.891 18.460 -27.846 1.00 32.42 H new ATOM 600 N GLU A 39 12.665 13.279 -23.218 1.00 33.33 N ATOM 601 CA GLU A 39 13.180 12.327 -22.240 1.00 15.42 C ATOM 602 C GLU A 39 12.809 12.751 -20.821 1.00 60.04 C ATOM 603 O GLU A 39 13.444 13.630 -20.238 1.00 73.11 O ATOM 604 CB GLU A 39 14.699 12.204 -22.366 1.00 44.24 C ATOM 605 CG GLU A 39 15.247 10.879 -21.862 1.00 52.43 C ATOM 606 CD GLU A 39 16.757 10.795 -21.965 1.00 43.30 C ATOM 607 OE1 GLU A 39 17.334 11.505 -22.816 1.00 32.11 O ATOM 608 OE2 GLU A 39 17.363 10.020 -21.196 1.00 13.44 O ATOM 0 H GLU A 39 13.288 14.062 -23.414 1.00 33.33 H new ATOM 0 HA GLU A 39 12.726 11.357 -22.442 1.00 15.42 H new ATOM 0 HB2 GLU A 39 14.980 12.329 -23.412 1.00 44.24 H new ATOM 0 HB3 GLU A 39 15.168 13.016 -21.811 1.00 44.24 H new ATOM 0 HG2 GLU A 39 14.949 10.739 -20.823 1.00 52.43 H new ATOM 0 HG3 GLU A 39 14.802 10.065 -22.434 1.00 52.43 H new ATOM 615 N VAL A 40 11.776 12.119 -20.272 1.00 42.52 N ATOM 616 CA VAL A 40 11.320 12.429 -18.922 1.00 44.54 C ATOM 617 C VAL A 40 11.835 11.404 -17.919 1.00 64.53 C ATOM 618 O VAL A 40 12.344 10.350 -18.301 1.00 34.25 O ATOM 619 CB VAL A 40 9.783 12.478 -18.847 1.00 12.34 C ATOM 620 CG1 VAL A 40 9.231 13.496 -19.833 1.00 44.23 C ATOM 621 CG2 VAL A 40 9.193 11.100 -19.104 1.00 60.04 C ATOM 0 H VAL A 40 11.239 11.389 -20.741 1.00 42.52 H new ATOM 0 HA VAL A 40 11.720 13.411 -18.670 1.00 44.54 H new ATOM 0 HB VAL A 40 9.496 12.789 -17.843 1.00 12.34 H new ATOM 0 HG11 VAL A 40 8.143 13.516 -19.765 1.00 44.23 H new ATOM 0 HG12 VAL A 40 9.627 14.483 -19.597 1.00 44.23 H new ATOM 0 HG13 VAL A 40 9.526 13.219 -20.845 1.00 44.23 H new ATOM 0 HG21 VAL A 40 8.106 11.153 -19.047 1.00 60.04 H new ATOM 0 HG22 VAL A 40 9.488 10.757 -20.096 1.00 60.04 H new ATOM 0 HG23 VAL A 40 9.562 10.401 -18.354 1.00 60.04 H new ATOM 631 N GLU A 41 11.700 11.720 -16.635 1.00 73.41 N ATOM 632 CA GLU A 41 12.152 10.824 -15.577 1.00 1.32 C ATOM 633 C GLU A 41 11.038 10.572 -14.564 1.00 45.24 C ATOM 634 O GLU A 41 10.394 11.507 -14.090 1.00 32.45 O ATOM 635 CB GLU A 41 13.376 11.411 -14.870 1.00 54.30 C ATOM 636 CG GLU A 41 13.936 10.516 -13.778 1.00 33.40 C ATOM 637 CD GLU A 41 15.409 10.763 -13.519 1.00 42.00 C ATOM 638 OE1 GLU A 41 15.736 11.779 -12.872 1.00 11.54 O ATOM 639 OE2 GLU A 41 16.236 9.939 -13.964 1.00 54.21 O ATOM 0 H GLU A 41 11.282 12.589 -16.302 1.00 73.41 H new ATOM 0 HA GLU A 41 12.426 9.873 -16.034 1.00 1.32 H new ATOM 0 HB2 GLU A 41 14.155 11.600 -15.608 1.00 54.30 H new ATOM 0 HB3 GLU A 41 13.107 12.374 -14.436 1.00 54.30 H new ATOM 0 HG2 GLU A 41 13.377 10.680 -12.857 1.00 33.40 H new ATOM 0 HG3 GLU A 41 13.790 9.473 -14.058 1.00 33.40 H new ATOM 646 N ALA A 42 10.819 9.302 -14.240 1.00 15.45 N ATOM 647 CA ALA A 42 9.785 8.927 -13.283 1.00 73.31 C ATOM 648 C ALA A 42 10.398 8.443 -11.973 1.00 40.05 C ATOM 649 O ALA A 42 11.165 7.480 -11.953 1.00 41.20 O ATOM 650 CB ALA A 42 8.884 7.853 -13.875 1.00 32.44 C ATOM 0 H ALA A 42 11.343 8.516 -14.625 1.00 15.45 H new ATOM 0 HA ALA A 42 9.186 9.812 -13.068 1.00 73.31 H new ATOM 0 HB1 ALA A 42 8.116 7.582 -13.150 1.00 32.44 H new ATOM 0 HB2 ALA A 42 8.410 8.234 -14.780 1.00 32.44 H new ATOM 0 HB3 ALA A 42 9.479 6.973 -14.119 1.00 32.44 H new ATOM 656 N LYS A 43 10.056 9.117 -10.881 1.00 1.41 N ATOM 657 CA LYS A 43 10.572 8.757 -9.566 1.00 22.23 C ATOM 658 C LYS A 43 9.444 8.308 -8.643 1.00 32.12 C ATOM 659 O LYS A 43 9.661 7.528 -7.715 1.00 0.41 O ATOM 660 CB LYS A 43 11.313 9.942 -8.943 1.00 43.34 C ATOM 661 CG LYS A 43 12.575 10.332 -9.693 1.00 42.33 C ATOM 662 CD LYS A 43 13.453 11.255 -8.865 1.00 43.42 C ATOM 663 CE LYS A 43 12.866 12.656 -8.780 1.00 73.33 C ATOM 664 NZ LYS A 43 13.768 13.593 -8.056 1.00 21.12 N ATOM 0 H LYS A 43 9.423 9.917 -10.881 1.00 1.41 H new ATOM 0 HA LYS A 43 11.268 7.927 -9.692 1.00 22.23 H new ATOM 0 HB2 LYS A 43 10.642 10.800 -8.906 1.00 43.34 H new ATOM 0 HB3 LYS A 43 11.573 9.696 -7.913 1.00 43.34 H new ATOM 0 HG2 LYS A 43 13.135 9.435 -9.956 1.00 42.33 H new ATOM 0 HG3 LYS A 43 12.306 10.825 -10.627 1.00 42.33 H new ATOM 0 HD2 LYS A 43 13.567 10.846 -7.861 1.00 43.42 H new ATOM 0 HD3 LYS A 43 14.449 11.303 -9.305 1.00 43.42 H new ATOM 0 HE2 LYS A 43 12.682 13.034 -9.786 1.00 73.33 H new ATOM 0 HE3 LYS A 43 11.902 12.616 -8.273 1.00 73.33 H new ATOM 0 HZ1 LYS A 43 13.332 14.536 -8.020 1.00 21.12 H new ATOM 0 HZ2 LYS A 43 13.924 13.246 -7.088 1.00 21.12 H new ATOM 0 HZ3 LYS A 43 14.679 13.652 -8.554 1.00 21.12 H new ATOM 678 N ASP A 44 8.239 8.803 -8.904 1.00 43.33 N ATOM 679 CA ASP A 44 7.076 8.451 -8.098 1.00 61.14 C ATOM 680 C ASP A 44 5.825 9.155 -8.614 1.00 34.32 C ATOM 681 O ASP A 44 5.843 9.772 -9.678 1.00 52.02 O ATOM 682 CB ASP A 44 7.315 8.816 -6.633 1.00 12.54 C ATOM 683 CG ASP A 44 7.117 7.636 -5.702 1.00 2.10 C ATOM 684 OD1 ASP A 44 8.080 6.865 -5.509 1.00 45.51 O ATOM 685 OD2 ASP A 44 5.999 7.483 -5.167 1.00 70.51 O ATOM 0 H ASP A 44 8.042 9.450 -9.668 1.00 43.33 H new ATOM 0 HA ASP A 44 6.923 7.375 -8.175 1.00 61.14 H new ATOM 0 HB2 ASP A 44 8.329 9.200 -6.518 1.00 12.54 H new ATOM 0 HB3 ASP A 44 6.636 9.619 -6.346 1.00 12.54 H new ATOM 690 N GLN A 45 4.740 9.056 -7.852 1.00 20.21 N ATOM 691 CA GLN A 45 3.479 9.682 -8.233 1.00 65.42 C ATOM 692 C GLN A 45 3.682 11.157 -8.561 1.00 14.31 C ATOM 693 O GLN A 45 2.975 11.720 -9.396 1.00 15.15 O ATOM 694 CB GLN A 45 2.452 9.532 -7.110 1.00 55.43 C ATOM 695 CG GLN A 45 1.122 10.207 -7.409 1.00 5.44 C ATOM 696 CD GLN A 45 -0.067 9.331 -7.068 1.00 64.33 C ATOM 697 OE1 GLN A 45 -0.599 9.390 -5.960 1.00 30.24 O ATOM 698 NE2 GLN A 45 -0.490 8.511 -8.023 1.00 33.31 N ATOM 0 H GLN A 45 4.709 8.549 -6.968 1.00 20.21 H new ATOM 0 HA GLN A 45 3.106 9.179 -9.125 1.00 65.42 H new ATOM 0 HB2 GLN A 45 2.279 8.472 -6.926 1.00 55.43 H new ATOM 0 HB3 GLN A 45 2.865 9.951 -6.193 1.00 55.43 H new ATOM 0 HG2 GLN A 45 1.056 11.138 -6.845 1.00 5.44 H new ATOM 0 HG3 GLN A 45 1.083 10.471 -8.466 1.00 5.44 H new ATOM 0 HE21 GLN A 45 -0.019 8.495 -8.927 1.00 33.31 H new ATOM 0 HE22 GLN A 45 -1.286 7.897 -7.852 1.00 33.31 H new ATOM 707 N ASN A 46 4.651 11.778 -7.897 1.00 45.34 N ATOM 708 CA ASN A 46 4.946 13.190 -8.118 1.00 20.43 C ATOM 709 C ASN A 46 5.730 13.386 -9.412 1.00 1.14 C ATOM 710 O ASN A 46 6.956 13.497 -9.397 1.00 4.23 O ATOM 711 CB ASN A 46 5.737 13.757 -6.938 1.00 2.15 C ATOM 712 CG ASN A 46 4.837 14.256 -5.824 1.00 74.10 C ATOM 713 OD1 ASN A 46 4.147 15.265 -5.973 1.00 72.43 O ATOM 714 ND2 ASN A 46 4.840 13.549 -4.700 1.00 15.33 N ATOM 0 H ASN A 46 5.245 11.327 -7.202 1.00 45.34 H new ATOM 0 HA ASN A 46 4.000 13.725 -8.203 1.00 20.43 H new ATOM 0 HB2 ASN A 46 6.402 12.987 -6.547 1.00 2.15 H new ATOM 0 HB3 ASN A 46 6.367 14.575 -7.286 1.00 2.15 H new ATOM 0 HD21 ASN A 46 4.254 13.836 -3.916 1.00 15.33 H new ATOM 0 HD22 ASN A 46 5.428 12.719 -4.621 1.00 15.33 H new ATOM 721 N CYS A 47 5.014 13.429 -10.530 1.00 61.42 N ATOM 722 CA CYS A 47 5.641 13.612 -11.834 1.00 20.14 C ATOM 723 C CYS A 47 5.402 15.025 -12.358 1.00 72.34 C ATOM 724 O CYS A 47 4.291 15.549 -12.278 1.00 51.32 O ATOM 725 CB CYS A 47 5.100 12.587 -12.832 1.00 33.31 C ATOM 726 SG CYS A 47 5.915 10.960 -12.743 1.00 35.24 S ATOM 0 H CYS A 47 3.998 13.340 -10.560 1.00 61.42 H new ATOM 0 HA CYS A 47 6.715 13.463 -11.718 1.00 20.14 H new ATOM 0 HB2 CYS A 47 4.032 12.456 -12.659 1.00 33.31 H new ATOM 0 HB3 CYS A 47 5.213 12.983 -13.841 1.00 33.31 H new ATOM 731 N LYS A 48 6.452 15.636 -12.896 1.00 60.31 N ATOM 732 CA LYS A 48 6.358 16.987 -13.436 1.00 61.22 C ATOM 733 C LYS A 48 7.046 17.079 -14.794 1.00 71.15 C ATOM 734 O LYS A 48 8.140 16.548 -14.985 1.00 4.35 O ATOM 735 CB LYS A 48 6.985 17.991 -12.466 1.00 70.30 C ATOM 736 CG LYS A 48 8.498 17.889 -12.380 1.00 0.44 C ATOM 737 CD LYS A 48 9.016 18.399 -11.045 1.00 13.10 C ATOM 738 CE LYS A 48 9.062 17.290 -10.005 1.00 13.32 C ATOM 739 NZ LYS A 48 10.410 16.665 -9.920 1.00 64.44 N ATOM 0 H LYS A 48 7.379 15.216 -12.970 1.00 60.31 H new ATOM 0 HA LYS A 48 5.303 17.227 -13.566 1.00 61.22 H new ATOM 0 HB2 LYS A 48 6.714 19.000 -12.775 1.00 70.30 H new ATOM 0 HB3 LYS A 48 6.562 17.838 -11.473 1.00 70.30 H new ATOM 0 HG2 LYS A 48 8.802 16.851 -12.517 1.00 0.44 H new ATOM 0 HG3 LYS A 48 8.949 18.463 -13.190 1.00 0.44 H new ATOM 0 HD2 LYS A 48 10.014 18.818 -11.177 1.00 13.10 H new ATOM 0 HD3 LYS A 48 8.376 19.206 -10.689 1.00 13.10 H new ATOM 0 HE2 LYS A 48 8.787 17.694 -9.031 1.00 13.32 H new ATOM 0 HE3 LYS A 48 8.323 16.528 -10.254 1.00 13.32 H new ATOM 0 HZ1 LYS A 48 10.400 15.914 -9.200 1.00 64.44 H new ATOM 0 HZ2 LYS A 48 10.662 16.257 -10.843 1.00 64.44 H new ATOM 0 HZ3 LYS A 48 11.111 17.387 -9.657 1.00 64.44 H new ATOM 753 N VAL A 49 6.398 17.757 -15.736 1.00 73.03 N ATOM 754 CA VAL A 49 6.948 17.921 -17.076 1.00 64.23 C ATOM 755 C VAL A 49 8.376 18.454 -17.023 1.00 14.35 C ATOM 756 O VAL A 49 8.598 19.635 -16.754 1.00 54.43 O ATOM 757 CB VAL A 49 6.087 18.875 -17.924 1.00 51.34 C ATOM 758 CG1 VAL A 49 4.807 18.185 -18.371 1.00 42.12 C ATOM 759 CG2 VAL A 49 5.774 20.144 -17.146 1.00 2.04 C ATOM 0 H VAL A 49 5.491 18.202 -15.595 1.00 73.03 H new ATOM 0 HA VAL A 49 6.948 16.935 -17.540 1.00 64.23 H new ATOM 0 HB VAL A 49 6.652 19.152 -18.814 1.00 51.34 H new ATOM 0 HG11 VAL A 49 4.212 18.875 -18.969 1.00 42.12 H new ATOM 0 HG12 VAL A 49 5.056 17.308 -18.969 1.00 42.12 H new ATOM 0 HG13 VAL A 49 4.235 17.877 -17.496 1.00 42.12 H new ATOM 0 HG21 VAL A 49 5.165 20.807 -17.761 1.00 2.04 H new ATOM 0 HG22 VAL A 49 5.229 19.889 -16.237 1.00 2.04 H new ATOM 0 HG23 VAL A 49 6.704 20.647 -16.882 1.00 2.04 H new ATOM 769 N ILE A 50 9.339 17.577 -17.280 1.00 24.34 N ATOM 770 CA ILE A 50 10.746 17.960 -17.262 1.00 54.10 C ATOM 771 C ILE A 50 11.576 17.046 -18.157 1.00 52.30 C ATOM 772 O ILE A 50 11.241 15.876 -18.349 1.00 44.54 O ATOM 773 CB ILE A 50 11.322 17.923 -15.834 1.00 75.31 C ATOM 774 CG1 ILE A 50 12.718 18.548 -15.807 1.00 55.43 C ATOM 775 CG2 ILE A 50 11.366 16.492 -15.318 1.00 43.14 C ATOM 776 CD1 ILE A 50 13.064 19.195 -14.485 1.00 4.43 C ATOM 0 H ILE A 50 9.172 16.596 -17.503 1.00 24.34 H new ATOM 0 HA ILE A 50 10.800 18.981 -17.640 1.00 54.10 H new ATOM 0 HB ILE A 50 10.672 18.505 -15.181 1.00 75.31 H new ATOM 0 HG12 ILE A 50 13.457 17.778 -16.030 1.00 55.43 H new ATOM 0 HG13 ILE A 50 12.788 19.295 -16.597 1.00 55.43 H new ATOM 0 HG21 ILE A 50 11.775 16.482 -14.308 1.00 43.14 H new ATOM 0 HG22 ILE A 50 10.357 16.079 -15.305 1.00 43.14 H new ATOM 0 HG23 ILE A 50 11.997 15.889 -15.971 1.00 43.14 H new ATOM 0 HD11 ILE A 50 14.068 19.617 -14.538 1.00 4.43 H new ATOM 0 HD12 ILE A 50 12.348 19.988 -14.269 1.00 4.43 H new ATOM 0 HD13 ILE A 50 13.026 18.447 -13.693 1.00 4.43 H new ATOM 788 N LEU A 51 12.661 17.587 -18.701 1.00 33.42 N ATOM 789 CA LEU A 51 13.542 16.820 -19.575 1.00 35.42 C ATOM 790 C LEU A 51 14.921 16.652 -18.946 1.00 43.34 C ATOM 791 O LEU A 51 15.370 17.498 -18.172 1.00 0.21 O ATOM 792 CB LEU A 51 13.668 17.508 -20.935 1.00 61.41 C ATOM 793 CG LEU A 51 12.368 18.034 -21.545 1.00 23.22 C ATOM 794 CD1 LEU A 51 12.664 19.019 -22.664 1.00 44.35 C ATOM 795 CD2 LEU A 51 11.515 16.882 -22.057 1.00 1.51 C ATOM 0 H LEU A 51 12.952 18.553 -18.552 1.00 33.42 H new ATOM 0 HA LEU A 51 13.105 15.831 -19.715 1.00 35.42 H new ATOM 0 HB2 LEU A 51 14.362 18.342 -20.835 1.00 61.41 H new ATOM 0 HB3 LEU A 51 14.116 16.803 -21.636 1.00 61.41 H new ATOM 0 HG LEU A 51 11.809 18.556 -20.768 1.00 23.22 H new ATOM 0 HD11 LEU A 51 11.727 19.383 -23.086 1.00 44.35 H new ATOM 0 HD12 LEU A 51 13.234 19.859 -22.268 1.00 44.35 H new ATOM 0 HD13 LEU A 51 13.244 18.522 -23.442 1.00 44.35 H new ATOM 0 HD21 LEU A 51 10.594 17.275 -22.488 1.00 1.51 H new ATOM 0 HD22 LEU A 51 12.066 16.332 -22.819 1.00 1.51 H new ATOM 0 HD23 LEU A 51 11.273 16.213 -21.231 1.00 1.51 H new ATOM 807 N THR A 52 15.592 15.556 -19.286 1.00 70.15 N ATOM 808 CA THR A 52 16.921 15.278 -18.757 1.00 30.11 C ATOM 809 C THR A 52 18.002 15.922 -19.618 1.00 33.30 C ATOM 810 O THR A 52 19.192 15.693 -19.410 1.00 23.12 O ATOM 811 CB THR A 52 17.185 13.763 -18.669 1.00 62.13 C ATOM 812 OG1 THR A 52 17.381 13.223 -19.981 1.00 51.01 O ATOM 813 CG2 THR A 52 16.026 13.050 -17.990 1.00 31.22 C ATOM 0 H THR A 52 15.236 14.846 -19.926 1.00 70.15 H new ATOM 0 HA THR A 52 16.957 15.704 -17.755 1.00 30.11 H new ATOM 0 HB THR A 52 18.085 13.607 -18.074 1.00 62.13 H new ATOM 0 HG1 THR A 52 17.705 12.301 -19.910 1.00 51.01 H new ATOM 0 HG21 THR A 52 16.235 11.982 -17.940 1.00 31.22 H new ATOM 0 HG22 THR A 52 15.898 13.443 -16.981 1.00 31.22 H new ATOM 0 HG23 THR A 52 15.113 13.214 -18.562 1.00 31.22 H new ATOM 821 N ASN A 53 17.578 16.729 -20.586 1.00 23.54 N ATOM 822 CA ASN A 53 18.511 17.406 -21.479 1.00 3.14 C ATOM 823 C ASN A 53 18.741 18.847 -21.033 1.00 43.14 C ATOM 824 O ASN A 53 18.988 19.730 -21.854 1.00 62.42 O ATOM 825 CB ASN A 53 17.984 17.382 -22.915 1.00 13.14 C ATOM 826 CG ASN A 53 19.100 17.377 -23.941 1.00 3.12 C ATOM 827 OD1 ASN A 53 19.856 16.411 -24.048 1.00 33.12 O ATOM 828 ND2 ASN A 53 19.209 18.460 -24.701 1.00 44.15 N ATOM 0 H ASN A 53 16.595 16.930 -20.771 1.00 23.54 H new ATOM 0 HA ASN A 53 19.463 16.876 -21.440 1.00 3.14 H new ATOM 0 HB2 ASN A 53 17.361 16.499 -23.056 1.00 13.14 H new ATOM 0 HB3 ASN A 53 17.347 18.251 -23.080 1.00 13.14 H new ATOM 0 HD21 ASN A 53 19.942 18.515 -25.408 1.00 44.15 H new ATOM 0 HD22 ASN A 53 18.560 19.237 -24.577 1.00 44.15 H new ATOM 835 N GLY A 54 18.659 19.077 -19.726 1.00 52.54 N ATOM 836 CA GLY A 54 18.861 20.412 -19.194 1.00 52.43 C ATOM 837 C GLY A 54 17.846 21.407 -19.723 1.00 22.12 C ATOM 838 O GLY A 54 18.131 22.600 -19.827 1.00 13.21 O ATOM 0 H GLY A 54 18.456 18.363 -19.026 1.00 52.54 H new ATOM 0 HA2 GLY A 54 18.800 20.379 -18.106 1.00 52.43 H new ATOM 0 HA3 GLY A 54 19.865 20.753 -19.447 1.00 52.43 H new ATOM 842 N LYS A 55 16.658 20.916 -20.059 1.00 64.44 N ATOM 843 CA LYS A 55 15.597 21.768 -20.581 1.00 11.42 C ATOM 844 C LYS A 55 14.243 21.366 -20.005 1.00 21.40 C ATOM 845 O LYS A 55 14.065 20.237 -19.547 1.00 10.41 O ATOM 846 CB LYS A 55 15.557 21.691 -22.109 1.00 14.23 C ATOM 847 CG LYS A 55 16.711 22.411 -22.785 1.00 31.43 C ATOM 848 CD LYS A 55 16.933 21.902 -24.199 1.00 42.02 C ATOM 849 CE LYS A 55 17.859 22.820 -24.983 1.00 13.24 C ATOM 850 NZ LYS A 55 17.653 22.693 -26.452 1.00 33.10 N ATOM 0 H LYS A 55 16.406 19.931 -19.979 1.00 64.44 H new ATOM 0 HA LYS A 55 15.809 22.794 -20.281 1.00 11.42 H new ATOM 0 HB2 LYS A 55 15.566 20.644 -22.412 1.00 14.23 H new ATOM 0 HB3 LYS A 55 14.618 22.117 -22.461 1.00 14.23 H new ATOM 0 HG2 LYS A 55 16.508 23.482 -22.810 1.00 31.43 H new ATOM 0 HG3 LYS A 55 17.620 22.272 -22.200 1.00 31.43 H new ATOM 0 HD2 LYS A 55 17.358 20.899 -24.163 1.00 42.02 H new ATOM 0 HD3 LYS A 55 15.975 21.824 -24.713 1.00 42.02 H new ATOM 0 HE2 LYS A 55 17.688 23.853 -24.680 1.00 13.24 H new ATOM 0 HE3 LYS A 55 18.895 22.584 -24.740 1.00 13.24 H new ATOM 0 HZ1 LYS A 55 18.302 23.334 -26.950 1.00 33.10 H new ATOM 0 HZ2 LYS A 55 17.841 21.713 -26.745 1.00 33.10 H new ATOM 0 HZ3 LYS A 55 16.671 22.943 -26.688 1.00 33.10 H new ATOM 864 N GLN A 56 13.293 22.295 -20.033 1.00 60.42 N ATOM 865 CA GLN A 56 11.955 22.035 -19.514 1.00 64.54 C ATOM 866 C GLN A 56 10.934 21.976 -20.646 1.00 5.21 C ATOM 867 O GLN A 56 11.071 22.667 -21.655 1.00 4.42 O ATOM 868 CB GLN A 56 11.557 23.115 -18.507 1.00 60.14 C ATOM 869 CG GLN A 56 11.333 24.480 -19.137 1.00 15.31 C ATOM 870 CD GLN A 56 11.238 25.589 -18.107 1.00 44.15 C ATOM 871 OE1 GLN A 56 10.878 25.352 -16.954 1.00 53.32 O ATOM 872 NE2 GLN A 56 11.563 26.809 -18.520 1.00 25.15 N ATOM 0 H GLN A 56 13.425 23.234 -20.409 1.00 60.42 H new ATOM 0 HA GLN A 56 11.969 21.068 -19.012 1.00 64.54 H new ATOM 0 HB2 GLN A 56 10.645 22.806 -17.996 1.00 60.14 H new ATOM 0 HB3 GLN A 56 12.335 23.197 -17.748 1.00 60.14 H new ATOM 0 HG2 GLN A 56 12.150 24.697 -19.825 1.00 15.31 H new ATOM 0 HG3 GLN A 56 10.417 24.458 -19.727 1.00 15.31 H new ATOM 0 HE21 GLN A 56 11.856 26.959 -19.485 1.00 25.15 H new ATOM 0 HE22 GLN A 56 11.519 27.595 -17.872 1.00 25.15 H new ATOM 881 N ALA A 57 9.911 21.146 -20.471 1.00 3.31 N ATOM 882 CA ALA A 57 8.866 20.999 -21.477 1.00 5.05 C ATOM 883 C ALA A 57 8.298 22.355 -21.880 1.00 42.24 C ATOM 884 O ALA A 57 8.435 23.350 -21.168 1.00 34.35 O ATOM 885 CB ALA A 57 7.759 20.094 -20.958 1.00 71.32 C ATOM 0 H ALA A 57 9.784 20.565 -19.642 1.00 3.31 H new ATOM 0 HA ALA A 57 9.309 20.543 -22.362 1.00 5.05 H new ATOM 0 HB1 ALA A 57 6.985 19.993 -21.719 1.00 71.32 H new ATOM 0 HB2 ALA A 57 8.171 19.112 -20.726 1.00 71.32 H new ATOM 0 HB3 ALA A 57 7.327 20.528 -20.056 1.00 71.32 H new ATOM 891 N PRO A 58 7.646 22.399 -23.052 1.00 11.34 N ATOM 892 CA PRO A 58 7.044 23.629 -23.577 1.00 20.43 C ATOM 893 C PRO A 58 5.827 24.068 -22.770 1.00 52.43 C ATOM 894 O PRO A 58 5.544 23.518 -21.706 1.00 12.42 O ATOM 895 CB PRO A 58 6.632 23.242 -24.999 1.00 52.13 C ATOM 896 CG PRO A 58 6.444 21.765 -24.951 1.00 71.01 C ATOM 897 CD PRO A 58 7.445 21.252 -23.953 1.00 41.51 C ATOM 0 HA PRO A 58 7.733 24.472 -23.533 1.00 20.43 H new ATOM 0 HB2 PRO A 58 5.714 23.748 -25.297 1.00 52.13 H new ATOM 0 HB3 PRO A 58 7.398 23.520 -25.723 1.00 52.13 H new ATOM 0 HG2 PRO A 58 5.428 21.511 -24.650 1.00 71.01 H new ATOM 0 HG3 PRO A 58 6.607 21.319 -25.932 1.00 71.01 H new ATOM 0 HD2 PRO A 58 7.068 20.381 -23.417 1.00 41.51 H new ATOM 0 HD3 PRO A 58 8.375 20.952 -24.435 1.00 41.51 H new ATOM 905 N ASP A 59 5.110 25.062 -23.284 1.00 62.12 N ATOM 906 CA ASP A 59 3.922 25.575 -22.612 1.00 72.52 C ATOM 907 C ASP A 59 2.700 24.724 -22.945 1.00 52.34 C ATOM 908 O ASP A 59 1.661 24.831 -22.294 1.00 12.40 O ATOM 909 CB ASP A 59 3.671 27.029 -23.013 1.00 10.24 C ATOM 910 CG ASP A 59 4.065 28.006 -21.922 1.00 72.01 C ATOM 911 OD1 ASP A 59 5.223 27.944 -21.460 1.00 24.04 O ATOM 912 OD2 ASP A 59 3.215 28.833 -21.532 1.00 32.03 O ATOM 0 H ASP A 59 5.331 25.528 -24.164 1.00 62.12 H new ATOM 0 HA ASP A 59 4.094 25.528 -21.537 1.00 72.52 H new ATOM 0 HB2 ASP A 59 4.232 27.255 -23.919 1.00 10.24 H new ATOM 0 HB3 ASP A 59 2.615 27.160 -23.251 1.00 10.24 H new ATOM 917 N TRP A 60 2.832 23.882 -23.963 1.00 73.25 N ATOM 918 CA TRP A 60 1.737 23.014 -24.384 1.00 24.01 C ATOM 919 C TRP A 60 1.987 21.574 -23.950 1.00 21.14 C ATOM 920 O TRP A 60 1.451 20.635 -24.540 1.00 14.13 O ATOM 921 CB TRP A 60 1.562 23.079 -25.902 1.00 22.20 C ATOM 922 CG TRP A 60 2.845 22.899 -26.656 1.00 51.12 C ATOM 923 CD1 TRP A 60 3.746 23.872 -26.984 1.00 21.42 C ATOM 924 CD2 TRP A 60 3.367 21.673 -27.178 1.00 65.41 C ATOM 925 NE1 TRP A 60 4.798 23.323 -27.678 1.00 55.41 N ATOM 926 CE2 TRP A 60 4.590 21.976 -27.810 1.00 34.13 C ATOM 927 CE3 TRP A 60 2.923 20.348 -27.172 1.00 24.33 C ATOM 928 CZ2 TRP A 60 5.369 21.002 -28.428 1.00 41.24 C ATOM 929 CZ3 TRP A 60 3.698 19.383 -27.787 1.00 30.45 C ATOM 930 CH2 TRP A 60 4.910 19.713 -28.407 1.00 50.22 C ATOM 0 H TRP A 60 3.685 23.781 -24.512 1.00 73.25 H new ATOM 0 HA TRP A 60 0.823 23.365 -23.905 1.00 24.01 H new ATOM 0 HB2 TRP A 60 0.855 22.309 -26.212 1.00 22.20 H new ATOM 0 HB3 TRP A 60 1.124 24.041 -26.169 1.00 22.20 H new ATOM 0 HD1 TRP A 60 3.647 24.918 -26.735 1.00 21.42 H new ATOM 0 HE1 TRP A 60 5.603 23.836 -28.037 1.00 55.41 H new ATOM 0 HE3 TRP A 60 1.991 20.083 -26.695 1.00 24.33 H new ATOM 0 HZ2 TRP A 60 6.303 21.255 -28.907 1.00 41.24 H new ATOM 0 HZ3 TRP A 60 3.363 18.356 -27.790 1.00 30.45 H new ATOM 0 HH2 TRP A 60 5.493 18.935 -28.877 1.00 50.22 H new ATOM 941 N LEU A 61 2.804 21.406 -22.915 1.00 74.44 N ATOM 942 CA LEU A 61 3.124 20.078 -22.402 1.00 1.44 C ATOM 943 C LEU A 61 2.593 19.901 -20.983 1.00 31.22 C ATOM 944 O LEU A 61 2.653 20.821 -20.168 1.00 34.45 O ATOM 945 CB LEU A 61 4.637 19.853 -22.424 1.00 71.20 C ATOM 946 CG LEU A 61 5.126 18.660 -23.247 1.00 54.52 C ATOM 947 CD1 LEU A 61 4.388 17.394 -22.841 1.00 64.35 C ATOM 948 CD2 LEU A 61 4.948 18.930 -24.734 1.00 52.22 C ATOM 0 H LEU A 61 3.256 22.172 -22.415 1.00 74.44 H new ATOM 0 HA LEU A 61 2.644 19.341 -23.045 1.00 1.44 H new ATOM 0 HB2 LEU A 61 5.113 20.755 -22.810 1.00 71.20 H new ATOM 0 HB3 LEU A 61 4.980 19.726 -21.397 1.00 71.20 H new ATOM 0 HG LEU A 61 6.188 18.516 -23.049 1.00 54.52 H new ATOM 0 HD11 LEU A 61 4.749 16.556 -23.437 1.00 64.35 H new ATOM 0 HD12 LEU A 61 4.566 17.192 -21.785 1.00 64.35 H new ATOM 0 HD13 LEU A 61 3.319 17.526 -23.010 1.00 64.35 H new ATOM 0 HD21 LEU A 61 5.301 18.071 -25.305 1.00 52.22 H new ATOM 0 HD22 LEU A 61 3.893 19.100 -24.949 1.00 52.22 H new ATOM 0 HD23 LEU A 61 5.522 19.813 -25.015 1.00 52.22 H new ATOM 960 N ALA A 62 2.075 18.711 -20.695 1.00 5.01 N ATOM 961 CA ALA A 62 1.538 18.411 -19.374 1.00 10.35 C ATOM 962 C ALA A 62 1.712 16.935 -19.032 1.00 4.53 C ATOM 963 O ALA A 62 2.102 16.134 -19.880 1.00 43.03 O ATOM 964 CB ALA A 62 0.069 18.802 -19.300 1.00 43.11 C ATOM 0 H ALA A 62 2.016 17.939 -21.359 1.00 5.01 H new ATOM 0 HA ALA A 62 2.096 18.995 -18.642 1.00 10.35 H new ATOM 0 HB1 ALA A 62 -0.319 18.572 -18.308 1.00 43.11 H new ATOM 0 HB2 ALA A 62 -0.033 19.870 -19.491 1.00 43.11 H new ATOM 0 HB3 ALA A 62 -0.494 18.244 -20.048 1.00 43.11 H new ATOM 970 N ALA A 63 1.422 16.584 -17.784 1.00 32.45 N ATOM 971 CA ALA A 63 1.545 15.204 -17.330 1.00 65.34 C ATOM 972 C ALA A 63 0.607 14.923 -16.162 1.00 13.41 C ATOM 973 O ALA A 63 0.730 15.527 -15.097 1.00 11.41 O ATOM 974 CB ALA A 63 2.985 14.904 -16.937 1.00 55.24 C ATOM 0 H ALA A 63 1.100 17.236 -17.069 1.00 32.45 H new ATOM 0 HA ALA A 63 1.260 14.550 -18.155 1.00 65.34 H new ATOM 0 HB1 ALA A 63 3.062 13.870 -16.600 1.00 55.24 H new ATOM 0 HB2 ALA A 63 3.636 15.055 -17.798 1.00 55.24 H new ATOM 0 HB3 ALA A 63 3.289 15.572 -16.131 1.00 55.24 H new ATOM 980 N GLU A 64 -0.331 14.004 -16.369 1.00 52.44 N ATOM 981 CA GLU A 64 -1.292 13.646 -15.332 1.00 44.32 C ATOM 982 C GLU A 64 -0.834 12.405 -14.572 1.00 71.33 C ATOM 983 O GLU A 64 -0.001 11.630 -15.043 1.00 21.22 O ATOM 984 CB GLU A 64 -2.672 13.402 -15.946 1.00 43.13 C ATOM 985 CG GLU A 64 -3.551 14.641 -15.979 1.00 33.33 C ATOM 986 CD GLU A 64 -4.944 14.353 -16.505 1.00 50.51 C ATOM 987 OE1 GLU A 64 -5.500 13.289 -16.161 1.00 1.42 O ATOM 988 OE2 GLU A 64 -5.478 15.192 -17.261 1.00 62.20 O ATOM 0 H GLU A 64 -0.446 13.494 -17.245 1.00 52.44 H new ATOM 0 HA GLU A 64 -1.357 14.477 -14.630 1.00 44.32 H new ATOM 0 HB2 GLU A 64 -2.547 13.028 -16.962 1.00 43.13 H new ATOM 0 HB3 GLU A 64 -3.180 12.622 -15.379 1.00 43.13 H new ATOM 0 HG2 GLU A 64 -3.625 15.057 -14.974 1.00 33.33 H new ATOM 0 HG3 GLU A 64 -3.080 15.400 -16.604 1.00 33.33 H new ATOM 995 N PRO A 65 -1.391 12.210 -13.368 1.00 2.24 N ATOM 996 CA PRO A 65 -1.056 11.065 -12.516 1.00 63.12 C ATOM 997 C PRO A 65 -1.582 9.750 -13.080 1.00 61.43 C ATOM 998 O PRO A 65 -2.078 9.700 -14.206 1.00 44.03 O ATOM 999 CB PRO A 65 -1.748 11.393 -11.191 1.00 41.40 C ATOM 1000 CG PRO A 65 -2.874 12.295 -11.565 1.00 23.30 C ATOM 1001 CD PRO A 65 -2.391 13.093 -12.744 1.00 42.20 C ATOM 0 HA PRO A 65 0.021 10.926 -12.426 1.00 63.12 H new ATOM 0 HB2 PRO A 65 -2.110 10.490 -10.699 1.00 41.40 H new ATOM 0 HB3 PRO A 65 -1.064 11.881 -10.497 1.00 41.40 H new ATOM 0 HG2 PRO A 65 -3.765 11.722 -11.821 1.00 23.30 H new ATOM 0 HG3 PRO A 65 -3.143 12.949 -10.735 1.00 23.30 H new ATOM 0 HD2 PRO A 65 -3.204 13.327 -13.431 1.00 42.20 H new ATOM 0 HD3 PRO A 65 -1.952 14.041 -12.434 1.00 42.20 H new ATOM 1009 N TYR A 66 -1.471 8.687 -12.291 1.00 75.34 N ATOM 1010 CA TYR A 66 -1.935 7.370 -12.713 1.00 43.24 C ATOM 1011 C TYR A 66 -1.245 6.938 -14.004 1.00 20.22 C ATOM 1012 O TYR A 66 -1.729 6.057 -14.712 1.00 63.33 O ATOM 1013 CB TYR A 66 -3.451 7.379 -12.911 1.00 54.21 C ATOM 1014 CG TYR A 66 -4.203 6.589 -11.864 1.00 72.21 C ATOM 1015 CD1 TYR A 66 -4.162 5.200 -11.851 1.00 10.10 C ATOM 1016 CD2 TYR A 66 -4.954 7.231 -10.887 1.00 51.11 C ATOM 1017 CE1 TYR A 66 -4.848 4.474 -10.897 1.00 10.23 C ATOM 1018 CE2 TYR A 66 -5.642 6.513 -9.928 1.00 11.20 C ATOM 1019 CZ TYR A 66 -5.586 5.135 -9.937 1.00 54.13 C ATOM 1020 OH TYR A 66 -6.270 4.416 -8.984 1.00 60.41 O ATOM 0 H TYR A 66 -1.064 8.711 -11.356 1.00 75.34 H new ATOM 0 HA TYR A 66 -1.682 6.656 -11.930 1.00 43.24 H new ATOM 0 HB2 TYR A 66 -3.804 8.410 -12.899 1.00 54.21 H new ATOM 0 HB3 TYR A 66 -3.683 6.974 -13.896 1.00 54.21 H new ATOM 0 HD1 TYR A 66 -3.584 4.679 -12.600 1.00 10.10 H new ATOM 0 HD2 TYR A 66 -5.001 8.310 -10.877 1.00 51.11 H new ATOM 0 HE1 TYR A 66 -4.807 3.395 -10.903 1.00 10.23 H new ATOM 0 HE2 TYR A 66 -6.221 7.028 -9.175 1.00 11.20 H new ATOM 0 HH TYR A 66 -6.738 5.032 -8.383 1.00 60.41 H new TER 1030 TYR A 66