USER MOD reduce.3.24.130724 H: found=0, std=0, add=266, rem=0, adj=10 USER MOD reduce.3.24.130724 removed 260 hydrogens (0 hets) USER MOD ----------------------------------------------------------------- USER MOD scores for adjustable sidechains, with "set" totals for H,N and Q USER MOD "o" means original, "f" means flipped, "180deg" is methyl default USER MOD "!" flags a clash with an overlap of 0.40A or greater USER MOD flip categories: "K"=keep, "C"=clashes, "X"=uncertain, "F"=flip USER MOD Set 1.1: A 17 CYS SG : rot 70:sc= -2.85! USER MOD Set 1.2: A 33 CYS SG : rot -160:sc= -5.83! USER MOD Set 2.1: A 10 CYS SG : rot -23:sc= -7.42! USER MOD Set 2.2: A 31 HIS : no HD1:sc= -0.644! C(o=-8.1!,f=-11!) USER MOD Single : A 3 CYS SG : rot 180:sc= -0.0523 USER MOD Single : A 5 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 6 LYS NZ :NH3+ 160:sc= -0.24 (180deg=-1.09) USER MOD Single : A 13 TYR OH : rot 180:sc= 0 USER MOD Single : A 14 TYR OH : rot 180:sc= 0 USER MOD Single : A 18 CYS SG : rot 180:sc= 0.00339 USER MOD Single : A 23 CYS SG : rot -60:sc= -4! USER MOD Single : A 24 LYS NZ :NH3+ 164:sc= -0.246 (180deg=-0.918) USER MOD Single : A 25 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 27 ASN : amide:sc= -4.64! C(o=-4.6!,f=-4.6!) USER MOD Single : A 32 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD ----------------------------------------------------------------- ATOM 32 N CYS A 3 -0.068 46.415 11.174 1.00 0.00 N ATOM 33 CA CYS A 3 1.351 46.221 11.344 1.00 0.00 C ATOM 34 C CYS A 3 1.688 46.089 12.845 1.00 0.00 C ATOM 35 O CYS A 3 0.919 45.334 13.471 1.00 0.00 O ATOM 36 CB CYS A 3 2.134 47.367 10.716 1.00 0.00 C ATOM 37 SG CYS A 3 2.040 48.922 11.657 1.00 0.00 S ATOM 0 HA CYS A 3 1.640 45.301 10.836 1.00 0.00 H new ATOM 0 HB2 CYS A 3 3.179 47.072 10.622 1.00 0.00 H new ATOM 0 HB3 CYS A 3 1.760 47.540 9.707 1.00 0.00 H new ATOM 0 HG CYS A 3 2.735 49.838 11.051 1.00 0.00 H new ATOM 42 N VAL A 4 3.003 46.217 13.130 1.00 0.00 N ATOM 43 CA VAL A 4 3.524 45.450 14.285 1.00 0.00 C ATOM 44 C VAL A 4 5.004 45.740 14.434 1.00 0.00 C ATOM 45 O VAL A 4 5.770 45.537 13.492 1.00 0.00 O ATOM 46 CB VAL A 4 3.203 43.984 14.005 1.00 0.00 C ATOM 47 CG1 VAL A 4 4.465 43.128 14.008 1.00 0.00 C ATOM 48 CG2 VAL A 4 2.251 43.466 15.086 1.00 0.00 C ATOM 0 H VAL A 4 3.676 46.793 12.625 1.00 0.00 H new ATOM 0 HA VAL A 4 3.068 45.726 15.236 1.00 0.00 H new ATOM 0 HB VAL A 4 2.743 43.917 13.019 1.00 0.00 H new ATOM 0 HG11 VAL A 4 4.201 42.090 13.806 1.00 0.00 H new ATOM 0 HG12 VAL A 4 5.149 43.485 13.238 1.00 0.00 H new ATOM 0 HG13 VAL A 4 4.948 43.196 14.983 1.00 0.00 H new ATOM 0 HG21 VAL A 4 2.017 42.419 14.893 1.00 0.00 H new ATOM 0 HG22 VAL A 4 2.725 43.558 16.063 1.00 0.00 H new ATOM 0 HG23 VAL A 4 1.332 44.052 15.073 1.00 0.00 H new ATOM 58 N LYS A 5 5.401 46.290 15.588 1.00 0.00 N ATOM 59 CA LYS A 5 6.755 46.792 15.753 1.00 0.00 C ATOM 60 C LYS A 5 7.101 46.898 17.236 1.00 0.00 C ATOM 61 O LYS A 5 6.773 47.916 17.851 1.00 0.00 O ATOM 62 CB LYS A 5 6.868 48.159 15.078 1.00 0.00 C ATOM 63 CG LYS A 5 5.647 49.003 15.431 1.00 0.00 C ATOM 64 CD LYS A 5 5.665 50.293 14.615 1.00 0.00 C ATOM 65 CE LYS A 5 5.439 51.484 15.545 1.00 0.00 C ATOM 66 NZ LYS A 5 5.576 52.753 14.810 1.00 0.00 N ATOM 0 H LYS A 5 4.805 46.395 16.409 1.00 0.00 H new ATOM 0 HA LYS A 5 7.459 46.102 15.288 1.00 0.00 H new ATOM 0 HB2 LYS A 5 7.778 48.663 15.403 1.00 0.00 H new ATOM 0 HB3 LYS A 5 6.940 48.038 13.997 1.00 0.00 H new ATOM 0 HG2 LYS A 5 4.734 48.444 15.227 1.00 0.00 H new ATOM 0 HG3 LYS A 5 5.647 49.234 16.496 1.00 0.00 H new ATOM 0 HD2 LYS A 5 6.619 50.397 14.099 1.00 0.00 H new ATOM 0 HD3 LYS A 5 4.890 50.263 13.849 1.00 0.00 H new ATOM 0 HE2 LYS A 5 4.446 51.421 15.989 1.00 0.00 H new ATOM 0 HE3 LYS A 5 6.157 51.453 16.364 1.00 0.00 H new ATOM 0 HZ1 LYS A 5 5.419 53.549 15.460 1.00 0.00 H new ATOM 0 HZ2 LYS A 5 6.532 52.819 14.407 1.00 0.00 H new ATOM 0 HZ3 LYS A 5 4.874 52.788 14.044 1.00 0.00 H new ATOM 80 N LYS A 6 8.052 46.070 17.683 1.00 0.00 N ATOM 81 CA LYS A 6 8.650 46.223 18.996 1.00 0.00 C ATOM 82 C LYS A 6 7.662 45.788 20.074 1.00 0.00 C ATOM 83 O LYS A 6 6.840 46.593 20.512 1.00 0.00 O ATOM 84 CB LYS A 6 9.068 47.679 19.202 1.00 0.00 C ATOM 85 CG LYS A 6 10.279 47.731 20.129 1.00 0.00 C ATOM 86 CD LYS A 6 10.994 49.068 19.963 1.00 0.00 C ATOM 87 CE LYS A 6 12.273 49.065 20.799 1.00 0.00 C ATOM 88 NZ LYS A 6 13.098 47.885 20.493 1.00 0.00 N ATOM 0 H LYS A 6 8.420 45.286 17.144 1.00 0.00 H new ATOM 0 HA LYS A 6 9.535 45.591 19.068 1.00 0.00 H new ATOM 0 HB2 LYS A 6 9.309 48.139 18.244 1.00 0.00 H new ATOM 0 HB3 LYS A 6 8.243 48.249 19.630 1.00 0.00 H new ATOM 0 HG2 LYS A 6 9.963 47.602 21.164 1.00 0.00 H new ATOM 0 HG3 LYS A 6 10.961 46.912 19.900 1.00 0.00 H new ATOM 0 HD2 LYS A 6 11.233 49.238 18.913 1.00 0.00 H new ATOM 0 HD3 LYS A 6 10.342 49.883 20.278 1.00 0.00 H new ATOM 0 HE2 LYS A 6 12.843 49.973 20.602 1.00 0.00 H new ATOM 0 HE3 LYS A 6 12.019 49.071 21.859 1.00 0.00 H new ATOM 0 HZ1 LYS A 6 14.078 48.060 20.793 1.00 0.00 H new ATOM 0 HZ2 LYS A 6 12.723 47.058 21.000 1.00 0.00 H new ATOM 0 HZ3 LYS A 6 13.077 47.702 19.469 1.00 0.00 H new ATOM 102 N ASP A 7 7.955 44.645 20.711 1.00 0.00 N ATOM 103 CA ASP A 7 7.053 44.096 21.708 1.00 0.00 C ATOM 104 C ASP A 7 5.683 43.841 21.091 1.00 0.00 C ATOM 105 O ASP A 7 4.742 43.513 21.815 1.00 0.00 O ATOM 106 CB ASP A 7 6.943 45.073 22.881 1.00 0.00 C ATOM 107 CG ASP A 7 8.325 45.517 23.342 1.00 0.00 C ATOM 108 OD1 ASP A 7 9.012 46.169 22.526 1.00 0.00 O ATOM 109 OD2 ASP A 7 8.708 45.103 24.458 1.00 0.00 O ATOM 0 H ASP A 7 8.800 44.096 20.550 1.00 0.00 H new ATOM 0 HA ASP A 7 7.444 43.146 22.072 1.00 0.00 H new ATOM 0 HB2 ASP A 7 6.357 45.942 22.583 1.00 0.00 H new ATOM 0 HB3 ASP A 7 6.413 44.599 23.707 1.00 0.00 H new ATOM 114 N GLU A 8 5.627 43.783 19.758 1.00 0.00 N ATOM 115 CA GLU A 8 4.421 43.359 19.068 1.00 0.00 C ATOM 116 C GLU A 8 4.522 41.874 18.734 1.00 0.00 C ATOM 117 O GLU A 8 5.226 41.144 19.433 1.00 0.00 O ATOM 118 CB GLU A 8 4.235 44.195 17.805 1.00 0.00 C ATOM 119 CG GLU A 8 3.072 45.165 18.009 1.00 0.00 C ATOM 120 CD GLU A 8 3.441 46.253 19.011 1.00 0.00 C ATOM 121 OE1 GLU A 8 4.429 46.033 19.746 1.00 0.00 O ATOM 122 OE2 GLU A 8 2.643 47.208 19.124 1.00 0.00 O ATOM 0 H GLU A 8 6.404 44.025 19.143 1.00 0.00 H new ATOM 0 HA GLU A 8 3.552 43.509 19.709 1.00 0.00 H new ATOM 0 HB2 GLU A 8 5.149 44.746 17.582 1.00 0.00 H new ATOM 0 HB3 GLU A 8 4.037 43.547 16.951 1.00 0.00 H new ATOM 0 HG2 GLU A 8 2.801 45.619 17.056 1.00 0.00 H new ATOM 0 HG3 GLU A 8 2.197 44.620 18.363 1.00 0.00 H new ATOM 129 N LEU A 9 3.626 41.398 17.865 1.00 0.00 N ATOM 130 CA LEU A 9 3.467 39.971 17.641 1.00 0.00 C ATOM 131 C LEU A 9 4.052 39.593 16.285 1.00 0.00 C ATOM 132 O LEU A 9 3.700 40.201 15.275 1.00 0.00 O ATOM 133 CB LEU A 9 1.983 39.613 17.709 1.00 0.00 C ATOM 134 CG LEU A 9 1.585 39.370 19.162 1.00 0.00 C ATOM 135 CD1 LEU A 9 0.855 40.597 19.701 1.00 0.00 C ATOM 136 CD2 LEU A 9 0.664 38.155 19.241 1.00 0.00 C ATOM 0 H LEU A 9 3.004 41.984 17.309 1.00 0.00 H new ATOM 0 HA LEU A 9 4.000 39.414 18.411 1.00 0.00 H new ATOM 0 HB2 LEU A 9 1.384 40.419 17.286 1.00 0.00 H new ATOM 0 HB3 LEU A 9 1.785 38.722 17.113 1.00 0.00 H new ATOM 0 HG LEU A 9 2.479 39.188 19.758 1.00 0.00 H new ATOM 0 HD11 LEU A 9 0.570 40.424 20.739 1.00 0.00 H new ATOM 0 HD12 LEU A 9 1.512 41.465 19.645 1.00 0.00 H new ATOM 0 HD13 LEU A 9 -0.039 40.779 19.105 1.00 0.00 H new ATOM 0 HD21 LEU A 9 0.379 37.981 20.279 1.00 0.00 H new ATOM 0 HD22 LEU A 9 -0.230 38.337 18.645 1.00 0.00 H new ATOM 0 HD23 LEU A 9 1.184 37.278 18.856 1.00 0.00 H new ATOM 148 N CYS A 10 4.749 38.454 16.238 1.00 0.00 N ATOM 149 CA CYS A 10 5.210 37.894 14.980 1.00 0.00 C ATOM 150 C CYS A 10 4.012 37.478 14.134 1.00 0.00 C ATOM 151 O CYS A 10 3.038 36.954 14.677 1.00 0.00 O ATOM 152 CB CYS A 10 6.126 36.700 15.264 1.00 0.00 C ATOM 153 SG CYS A 10 5.346 35.079 15.002 1.00 0.00 S ATOM 0 H CYS A 10 5.003 37.907 17.061 1.00 0.00 H new ATOM 0 HA CYS A 10 5.776 38.641 14.423 1.00 0.00 H new ATOM 0 HB2 CYS A 10 7.007 36.773 14.626 1.00 0.00 H new ATOM 0 HB3 CYS A 10 6.473 36.761 16.296 1.00 0.00 H new ATOM 0 HG CYS A 10 4.055 35.197 15.104 1.00 0.00 H new ATOM 158 N ILE A 11 4.207 37.436 12.814 1.00 0.00 N ATOM 159 CA ILE A 11 3.212 36.889 11.908 1.00 0.00 C ATOM 160 C ILE A 11 3.853 35.819 11.033 1.00 0.00 C ATOM 161 O ILE A 11 4.536 36.155 10.065 1.00 0.00 O ATOM 162 CB ILE A 11 2.637 38.016 11.053 1.00 0.00 C ATOM 163 CG1 ILE A 11 2.202 39.170 11.948 1.00 0.00 C ATOM 164 CG2 ILE A 11 1.446 37.498 10.256 1.00 0.00 C ATOM 165 CD1 ILE A 11 1.503 40.236 11.109 1.00 0.00 C ATOM 0 H ILE A 11 5.051 37.777 12.354 1.00 0.00 H new ATOM 0 HA ILE A 11 2.402 36.431 12.475 1.00 0.00 H new ATOM 0 HB ILE A 11 3.401 38.371 10.362 1.00 0.00 H new ATOM 0 HG12 ILE A 11 1.530 38.807 12.725 1.00 0.00 H new ATOM 0 HG13 ILE A 11 3.068 39.600 12.451 1.00 0.00 H new ATOM 0 HG21 ILE A 11 1.038 38.304 9.647 1.00 0.00 H new ATOM 0 HG22 ILE A 11 1.768 36.682 9.609 1.00 0.00 H new ATOM 0 HG23 ILE A 11 0.679 37.137 10.941 1.00 0.00 H new ATOM 0 HD11 ILE A 11 1.193 41.060 11.752 1.00 0.00 H new ATOM 0 HD12 ILE A 11 2.189 40.608 10.348 1.00 0.00 H new ATOM 0 HD13 ILE A 11 0.627 39.803 10.627 1.00 0.00 H new ATOM 177 N PRO A 12 3.837 34.573 11.490 1.00 0.00 N ATOM 178 CA PRO A 12 4.375 33.447 10.719 1.00 0.00 C ATOM 179 C PRO A 12 3.913 33.519 9.278 1.00 0.00 C ATOM 180 O PRO A 12 3.094 34.364 8.920 1.00 0.00 O ATOM 181 CB PRO A 12 3.865 32.168 11.409 1.00 0.00 C ATOM 182 CG PRO A 12 3.013 32.610 12.608 1.00 0.00 C ATOM 183 CD PRO A 12 3.013 34.148 12.624 1.00 0.00 C ATOM 0 HA PRO A 12 5.465 33.464 10.695 1.00 0.00 H new ATOM 0 HB2 PRO A 12 3.274 31.567 10.718 1.00 0.00 H new ATOM 0 HB3 PRO A 12 4.700 31.549 11.737 1.00 0.00 H new ATOM 0 HG2 PRO A 12 1.997 32.226 12.520 1.00 0.00 H new ATOM 0 HG3 PRO A 12 3.423 32.216 13.538 1.00 0.00 H new ATOM 0 HD2 PRO A 12 1.999 34.537 12.535 1.00 0.00 H new ATOM 0 HD3 PRO A 12 3.418 34.527 13.562 1.00 0.00 H new ATOM 191 N TYR A 13 4.362 32.562 8.459 1.00 0.00 N ATOM 192 CA TYR A 13 4.025 32.542 7.048 1.00 0.00 C ATOM 193 C TYR A 13 4.478 33.839 6.388 1.00 0.00 C ATOM 194 O TYR A 13 5.542 33.874 5.771 1.00 0.00 O ATOM 195 CB TYR A 13 2.514 32.345 6.887 1.00 0.00 C ATOM 196 CG TYR A 13 2.057 30.945 7.233 1.00 0.00 C ATOM 197 CD1 TYR A 13 2.673 29.841 6.630 1.00 0.00 C ATOM 198 CD2 TYR A 13 1.019 30.753 8.154 1.00 0.00 C ATOM 199 CE1 TYR A 13 2.251 28.544 6.948 1.00 0.00 C ATOM 200 CE2 TYR A 13 0.597 29.456 8.472 1.00 0.00 C ATOM 201 CZ TYR A 13 1.213 28.351 7.869 1.00 0.00 C ATOM 202 OH TYR A 13 0.801 27.089 8.178 1.00 0.00 O ATOM 0 H TYR A 13 4.961 31.793 8.759 1.00 0.00 H new ATOM 0 HA TYR A 13 4.539 31.714 6.559 1.00 0.00 H new ATOM 0 HB2 TYR A 13 1.991 33.059 7.523 1.00 0.00 H new ATOM 0 HB3 TYR A 13 2.232 32.569 5.858 1.00 0.00 H new ATOM 0 HD1 TYR A 13 3.473 29.990 5.920 1.00 0.00 H new ATOM 0 HD2 TYR A 13 0.544 31.605 8.619 1.00 0.00 H new ATOM 0 HE1 TYR A 13 2.726 27.693 6.483 1.00 0.00 H new ATOM 0 HE2 TYR A 13 -0.203 29.307 9.182 1.00 0.00 H new ATOM 0 HH TYR A 13 0.074 27.134 8.833 1.00 0.00 H new ATOM 212 N TYR A 14 3.588 34.833 6.352 1.00 0.00 N ATOM 213 CA TYR A 14 3.863 36.078 5.660 1.00 0.00 C ATOM 214 C TYR A 14 4.423 37.102 6.643 1.00 0.00 C ATOM 215 O TYR A 14 4.093 38.285 6.546 1.00 0.00 O ATOM 216 CB TYR A 14 2.582 36.590 4.998 1.00 0.00 C ATOM 217 CG TYR A 14 1.650 37.320 5.940 1.00 0.00 C ATOM 218 CD1 TYR A 14 0.890 36.602 6.872 1.00 0.00 C ATOM 219 CD2 TYR A 14 1.539 38.714 5.870 1.00 0.00 C ATOM 220 CE1 TYR A 14 0.023 37.280 7.738 1.00 0.00 C ATOM 221 CE2 TYR A 14 0.672 39.392 6.737 1.00 0.00 C ATOM 222 CZ TYR A 14 -0.086 38.675 7.671 1.00 0.00 C ATOM 223 OH TYR A 14 -0.933 39.334 8.513 1.00 0.00 O ATOM 0 H TYR A 14 2.671 34.792 6.797 1.00 0.00 H new ATOM 0 HA TYR A 14 4.608 35.911 4.882 1.00 0.00 H new ATOM 0 HB2 TYR A 14 2.851 37.258 4.180 1.00 0.00 H new ATOM 0 HB3 TYR A 14 2.050 35.746 4.559 1.00 0.00 H new ATOM 0 HD1 TYR A 14 0.973 35.526 6.923 1.00 0.00 H new ATOM 0 HD2 TYR A 14 2.122 39.267 5.148 1.00 0.00 H new ATOM 0 HE1 TYR A 14 -0.562 36.727 8.458 1.00 0.00 H new ATOM 0 HE2 TYR A 14 0.588 40.467 6.685 1.00 0.00 H new ATOM 0 HH TYR A 14 -0.887 40.297 8.336 1.00 0.00 H new ATOM 233 N LEU A 15 5.512 36.723 7.320 1.00 0.00 N ATOM 234 CA LEU A 15 6.207 37.624 8.219 1.00 0.00 C ATOM 235 C LEU A 15 6.506 38.941 7.507 1.00 0.00 C ATOM 236 O LEU A 15 7.095 38.928 6.426 1.00 0.00 O ATOM 237 CB LEU A 15 7.503 36.964 8.691 1.00 0.00 C ATOM 238 CG LEU A 15 8.386 36.662 7.484 1.00 0.00 C ATOM 239 CD1 LEU A 15 9.375 37.806 7.278 1.00 0.00 C ATOM 240 CD2 LEU A 15 9.152 35.364 7.724 1.00 0.00 C ATOM 0 H LEU A 15 5.925 35.793 7.256 1.00 0.00 H new ATOM 0 HA LEU A 15 5.579 37.836 9.084 1.00 0.00 H new ATOM 0 HB2 LEU A 15 8.028 37.622 9.384 1.00 0.00 H new ATOM 0 HB3 LEU A 15 7.280 36.044 9.232 1.00 0.00 H new ATOM 0 HG LEU A 15 7.763 36.556 6.596 1.00 0.00 H new ATOM 0 HD11 LEU A 15 10.006 37.591 6.416 1.00 0.00 H new ATOM 0 HD12 LEU A 15 8.828 38.733 7.105 1.00 0.00 H new ATOM 0 HD13 LEU A 15 9.998 37.913 8.166 1.00 0.00 H new ATOM 0 HD21 LEU A 15 9.783 35.149 6.861 1.00 0.00 H new ATOM 0 HD22 LEU A 15 9.775 35.468 8.612 1.00 0.00 H new ATOM 0 HD23 LEU A 15 8.446 34.547 7.870 1.00 0.00 H new ATOM 252 N ASP A 16 6.342 40.053 8.229 1.00 0.00 N ATOM 253 CA ASP A 16 6.791 41.347 7.746 1.00 0.00 C ATOM 254 C ASP A 16 6.464 42.425 8.772 1.00 0.00 C ATOM 255 O ASP A 16 5.628 43.290 8.516 1.00 0.00 O ATOM 256 CB ASP A 16 6.115 41.649 6.408 1.00 0.00 C ATOM 257 CG ASP A 16 6.999 42.541 5.546 1.00 0.00 C ATOM 258 OD1 ASP A 16 8.202 42.218 5.444 1.00 0.00 O ATOM 259 OD2 ASP A 16 6.469 43.566 5.064 1.00 0.00 O ATOM 0 H ASP A 16 5.901 40.076 9.149 1.00 0.00 H new ATOM 0 HA ASP A 16 7.871 41.331 7.600 1.00 0.00 H new ATOM 0 HB2 ASP A 16 5.907 40.717 5.882 1.00 0.00 H new ATOM 0 HB3 ASP A 16 5.156 42.138 6.582 1.00 0.00 H new ATOM 264 N CYS A 17 7.220 42.448 9.873 1.00 0.00 N ATOM 265 CA CYS A 17 7.120 43.526 10.842 1.00 0.00 C ATOM 266 C CYS A 17 7.969 44.707 10.390 1.00 0.00 C ATOM 267 O CYS A 17 8.716 44.597 9.419 1.00 0.00 O ATOM 268 CB CYS A 17 7.584 43.016 12.210 1.00 0.00 C ATOM 269 SG CYS A 17 8.267 44.313 13.282 1.00 0.00 S ATOM 0 H CYS A 17 7.905 41.730 10.109 1.00 0.00 H new ATOM 0 HA CYS A 17 6.085 43.860 10.921 1.00 0.00 H new ATOM 0 HB2 CYS A 17 6.742 42.545 12.717 1.00 0.00 H new ATOM 0 HB3 CYS A 17 8.339 42.244 12.063 1.00 0.00 H new ATOM 0 HG CYS A 17 7.312 45.107 13.665 1.00 0.00 H new ATOM 274 N CYS A 18 7.736 45.874 10.996 1.00 0.00 N ATOM 275 CA CYS A 18 8.487 47.069 10.657 1.00 0.00 C ATOM 276 C CYS A 18 9.945 46.897 11.066 1.00 0.00 C ATOM 277 O CYS A 18 10.244 46.788 12.254 1.00 0.00 O ATOM 278 CB CYS A 18 7.867 48.276 11.369 1.00 0.00 C ATOM 279 SG CYS A 18 6.098 48.499 11.030 1.00 0.00 S ATOM 0 H CYS A 18 7.033 46.009 11.722 1.00 0.00 H new ATOM 0 HA CYS A 18 8.448 47.234 9.580 1.00 0.00 H new ATOM 0 HB2 CYS A 18 8.010 48.165 12.444 1.00 0.00 H new ATOM 0 HB3 CYS A 18 8.401 49.177 11.068 1.00 0.00 H new ATOM 0 HG CYS A 18 5.660 49.540 11.675 1.00 0.00 H new ATOM 284 N GLU A 19 10.855 47.017 10.097 1.00 0.00 N ATOM 285 CA GLU A 19 12.280 47.012 10.379 1.00 0.00 C ATOM 286 C GLU A 19 12.654 48.273 11.147 1.00 0.00 C ATOM 287 O GLU A 19 11.993 49.300 10.989 1.00 0.00 O ATOM 288 CB GLU A 19 13.044 46.935 9.057 1.00 0.00 C ATOM 289 CG GLU A 19 12.421 45.854 8.175 1.00 0.00 C ATOM 290 CD GLU A 19 13.473 45.212 7.280 1.00 0.00 C ATOM 291 OE1 GLU A 19 14.479 45.900 7.005 1.00 0.00 O ATOM 292 OE2 GLU A 19 13.211 44.078 6.825 1.00 0.00 O ATOM 0 H GLU A 19 10.623 47.119 9.109 1.00 0.00 H new ATOM 0 HA GLU A 19 12.540 46.149 10.992 1.00 0.00 H new ATOM 0 HB2 GLU A 19 13.012 47.899 8.549 1.00 0.00 H new ATOM 0 HB3 GLU A 19 14.094 46.708 9.243 1.00 0.00 H new ATOM 0 HG2 GLU A 19 11.955 45.092 8.800 1.00 0.00 H new ATOM 0 HG3 GLU A 19 11.632 46.289 7.562 1.00 0.00 H new ATOM 299 N PRO A 20 13.597 48.160 12.087 1.00 0.00 N ATOM 300 CA PRO A 20 14.530 47.026 12.083 1.00 0.00 C ATOM 301 C PRO A 20 14.007 45.883 12.925 1.00 0.00 C ATOM 302 O PRO A 20 14.732 44.913 13.154 1.00 0.00 O ATOM 303 CB PRO A 20 15.865 47.557 12.639 1.00 0.00 C ATOM 304 CG PRO A 20 15.644 49.029 13.018 1.00 0.00 C ATOM 305 CD PRO A 20 14.188 49.375 12.674 1.00 0.00 C ATOM 0 HA PRO A 20 14.655 46.630 11.075 1.00 0.00 H new ATOM 0 HB2 PRO A 20 16.177 46.978 13.508 1.00 0.00 H new ATOM 0 HB3 PRO A 20 16.656 47.466 11.894 1.00 0.00 H new ATOM 0 HG2 PRO A 20 15.836 49.186 14.080 1.00 0.00 H new ATOM 0 HG3 PRO A 20 16.332 49.674 12.471 1.00 0.00 H new ATOM 0 HD2 PRO A 20 13.641 49.681 13.566 1.00 0.00 H new ATOM 0 HD3 PRO A 20 14.143 50.207 11.971 1.00 0.00 H new ATOM 313 N LEU A 21 12.803 46.026 13.485 1.00 0.00 N ATOM 314 CA LEU A 21 12.186 44.955 14.248 1.00 0.00 C ATOM 315 C LEU A 21 11.838 43.800 13.315 1.00 0.00 C ATOM 316 O LEU A 21 11.762 43.995 12.102 1.00 0.00 O ATOM 317 CB LEU A 21 10.937 45.486 14.946 1.00 0.00 C ATOM 318 CG LEU A 21 11.300 46.713 15.777 1.00 0.00 C ATOM 319 CD1 LEU A 21 10.163 47.729 15.712 1.00 0.00 C ATOM 320 CD2 LEU A 21 11.528 46.296 17.227 1.00 0.00 C ATOM 0 H LEU A 21 12.242 46.875 13.420 1.00 0.00 H new ATOM 0 HA LEU A 21 12.879 44.590 15.006 1.00 0.00 H new ATOM 0 HB2 LEU A 21 10.178 45.745 14.208 1.00 0.00 H new ATOM 0 HB3 LEU A 21 10.509 44.714 15.586 1.00 0.00 H new ATOM 0 HG LEU A 21 12.210 47.163 15.381 1.00 0.00 H new ATOM 0 HD11 LEU A 21 10.423 48.605 16.306 1.00 0.00 H new ATOM 0 HD12 LEU A 21 10.001 48.028 14.676 1.00 0.00 H new ATOM 0 HD13 LEU A 21 9.251 47.281 16.107 1.00 0.00 H new ATOM 0 HD21 LEU A 21 11.787 47.172 17.821 1.00 0.00 H new ATOM 0 HD22 LEU A 21 10.618 45.845 17.623 1.00 0.00 H new ATOM 0 HD23 LEU A 21 12.342 45.572 17.274 1.00 0.00 H new ATOM 332 N GLU A 22 11.859 42.576 13.850 1.00 0.00 N ATOM 333 CA GLU A 22 11.734 41.382 13.033 1.00 0.00 C ATOM 334 C GLU A 22 10.454 40.639 13.399 1.00 0.00 C ATOM 335 O GLU A 22 9.442 41.267 13.706 1.00 0.00 O ATOM 336 CB GLU A 22 12.955 40.490 13.253 1.00 0.00 C ATOM 337 CG GLU A 22 14.223 41.337 13.164 1.00 0.00 C ATOM 338 CD GLU A 22 14.412 41.883 11.754 1.00 0.00 C ATOM 339 OE1 GLU A 22 13.863 41.253 10.825 1.00 0.00 O ATOM 340 OE2 GLU A 22 15.065 42.943 11.641 1.00 0.00 O ATOM 0 H GLU A 22 11.962 42.394 14.848 1.00 0.00 H new ATOM 0 HA GLU A 22 11.683 41.659 11.980 1.00 0.00 H new ATOM 0 HB2 GLU A 22 12.895 40.006 14.228 1.00 0.00 H new ATOM 0 HB3 GLU A 22 12.980 39.698 12.505 1.00 0.00 H new ATOM 0 HG2 GLU A 22 14.165 42.162 13.874 1.00 0.00 H new ATOM 0 HG3 GLU A 22 15.088 40.736 13.445 1.00 0.00 H new ATOM 347 N CYS A 23 10.460 39.318 13.211 1.00 0.00 N ATOM 348 CA CYS A 23 9.255 38.520 13.359 1.00 0.00 C ATOM 349 C CYS A 23 9.632 37.057 13.546 1.00 0.00 C ATOM 350 O CYS A 23 10.207 36.446 12.648 1.00 0.00 O ATOM 351 CB CYS A 23 8.382 38.698 12.112 1.00 0.00 C ATOM 352 SG CYS A 23 7.384 37.239 11.699 1.00 0.00 S ATOM 0 H CYS A 23 11.290 38.783 12.956 1.00 0.00 H new ATOM 0 HA CYS A 23 8.694 38.847 14.235 1.00 0.00 H new ATOM 0 HB2 CYS A 23 7.718 39.549 12.264 1.00 0.00 H new ATOM 0 HB3 CYS A 23 9.022 38.940 11.264 1.00 0.00 H new ATOM 0 HG CYS A 23 8.168 36.226 11.476 1.00 0.00 H new ATOM 357 N LYS A 24 9.242 36.479 14.685 1.00 0.00 N ATOM 358 CA LYS A 24 9.497 35.077 14.953 1.00 0.00 C ATOM 359 C LYS A 24 8.873 34.679 16.286 1.00 0.00 C ATOM 360 O LYS A 24 8.681 35.529 17.154 1.00 0.00 O ATOM 361 CB LYS A 24 11.006 34.833 14.970 1.00 0.00 C ATOM 362 CG LYS A 24 11.302 33.454 14.388 1.00 0.00 C ATOM 363 CD LYS A 24 12.565 33.522 13.533 1.00 0.00 C ATOM 364 CE LYS A 24 12.881 32.131 12.986 1.00 0.00 C ATOM 365 NZ LYS A 24 11.648 31.431 12.589 1.00 0.00 N ATOM 0 H LYS A 24 8.749 36.968 15.432 1.00 0.00 H new ATOM 0 HA LYS A 24 9.048 34.466 14.170 1.00 0.00 H new ATOM 0 HB2 LYS A 24 11.517 35.602 14.390 1.00 0.00 H new ATOM 0 HB3 LYS A 24 11.385 34.899 15.990 1.00 0.00 H new ATOM 0 HG2 LYS A 24 11.433 32.729 15.191 1.00 0.00 H new ATOM 0 HG3 LYS A 24 10.460 33.114 13.785 1.00 0.00 H new ATOM 0 HD2 LYS A 24 12.424 34.225 12.712 1.00 0.00 H new ATOM 0 HD3 LYS A 24 13.401 33.890 14.128 1.00 0.00 H new ATOM 0 HE2 LYS A 24 13.548 32.216 12.128 1.00 0.00 H new ATOM 0 HE3 LYS A 24 13.407 31.549 13.743 1.00 0.00 H new ATOM 0 HZ1 LYS A 24 11.888 30.621 11.982 1.00 0.00 H new ATOM 0 HZ2 LYS A 24 11.152 31.092 13.438 1.00 0.00 H new ATOM 0 HZ3 LYS A 24 11.031 32.084 12.066 1.00 0.00 H new ATOM 379 N LYS A 25 8.787 33.368 16.528 1.00 0.00 N ATOM 380 CA LYS A 25 8.359 32.853 17.816 1.00 0.00 C ATOM 381 C LYS A 25 9.426 33.144 18.867 1.00 0.00 C ATOM 382 O LYS A 25 10.579 32.751 18.688 1.00 0.00 O ATOM 383 CB LYS A 25 8.116 31.349 17.700 1.00 0.00 C ATOM 384 CG LYS A 25 7.715 30.795 19.064 1.00 0.00 C ATOM 385 CD LYS A 25 7.908 29.281 19.073 1.00 0.00 C ATOM 386 CE LYS A 25 7.056 28.655 17.970 1.00 0.00 C ATOM 387 NZ LYS A 25 7.902 28.144 16.879 1.00 0.00 N ATOM 0 H LYS A 25 9.011 32.648 15.841 1.00 0.00 H new ATOM 0 HA LYS A 25 7.432 33.340 18.120 1.00 0.00 H new ATOM 0 HB2 LYS A 25 7.331 31.151 16.970 1.00 0.00 H new ATOM 0 HB3 LYS A 25 9.017 30.850 17.343 1.00 0.00 H new ATOM 0 HG2 LYS A 25 8.318 31.254 19.847 1.00 0.00 H new ATOM 0 HG3 LYS A 25 6.675 31.041 19.277 1.00 0.00 H new ATOM 0 HD2 LYS A 25 8.959 29.036 18.919 1.00 0.00 H new ATOM 0 HD3 LYS A 25 7.624 28.873 20.043 1.00 0.00 H new ATOM 0 HE2 LYS A 25 6.459 27.842 18.383 1.00 0.00 H new ATOM 0 HE3 LYS A 25 6.359 29.396 17.579 1.00 0.00 H new ATOM 0 HZ1 LYS A 25 7.301 27.723 16.142 1.00 0.00 H new ATOM 0 HZ2 LYS A 25 8.454 28.926 16.472 1.00 0.00 H new ATOM 0 HZ3 LYS A 25 8.550 27.421 17.252 1.00 0.00 H new ATOM 401 N VAL A 26 8.991 33.608 20.041 1.00 0.00 N ATOM 402 CA VAL A 26 9.876 33.723 21.188 1.00 0.00 C ATOM 403 C VAL A 26 9.667 32.529 22.113 1.00 0.00 C ATOM 404 O VAL A 26 10.626 32.035 22.704 1.00 0.00 O ATOM 405 CB VAL A 26 9.591 35.033 21.920 1.00 0.00 C ATOM 406 CG1 VAL A 26 10.416 35.090 23.202 1.00 0.00 C ATOM 407 CG2 VAL A 26 9.964 36.209 21.021 1.00 0.00 C ATOM 0 H VAL A 26 8.032 33.908 20.216 1.00 0.00 H new ATOM 0 HA VAL A 26 10.915 33.728 20.858 1.00 0.00 H new ATOM 0 HB VAL A 26 8.531 35.087 22.168 1.00 0.00 H new ATOM 0 HG11 VAL A 26 10.213 36.025 23.724 1.00 0.00 H new ATOM 0 HG12 VAL A 26 10.149 34.250 23.844 1.00 0.00 H new ATOM 0 HG13 VAL A 26 11.476 35.036 22.955 1.00 0.00 H new ATOM 0 HG21 VAL A 26 9.761 37.144 21.543 1.00 0.00 H new ATOM 0 HG22 VAL A 26 11.024 36.155 20.772 1.00 0.00 H new ATOM 0 HG23 VAL A 26 9.374 36.169 20.105 1.00 0.00 H new ATOM 417 N ASN A 27 8.464 31.950 22.070 1.00 0.00 N ATOM 418 CA ASN A 27 8.192 30.704 22.763 1.00 0.00 C ATOM 419 C ASN A 27 6.994 30.012 22.118 1.00 0.00 C ATOM 420 O ASN A 27 6.245 30.655 21.383 1.00 0.00 O ATOM 421 CB ASN A 27 7.914 30.992 24.238 1.00 0.00 C ATOM 422 CG ASN A 27 8.977 31.917 24.819 1.00 0.00 C ATOM 423 OD1 ASN A 27 10.090 31.481 25.103 1.00 0.00 O ATOM 424 ND2 ASN A 27 8.593 33.164 25.101 1.00 0.00 N ATOM 0 H ASN A 27 7.667 32.331 21.560 1.00 0.00 H new ATOM 0 HA ASN A 27 9.057 30.045 22.691 1.00 0.00 H new ATOM 0 HB2 ASN A 27 6.930 31.449 24.345 1.00 0.00 H new ATOM 0 HB3 ASN A 27 7.894 30.057 24.798 1.00 0.00 H new ATOM 0 HD21 ASN A 27 9.235 33.801 25.573 1.00 0.00 H new ATOM 0 HD22 ASN A 27 7.658 33.480 24.845 1.00 0.00 H new ATOM 431 N TRP A 28 6.691 28.796 22.581 1.00 0.00 N ATOM 432 CA TRP A 28 5.452 28.133 22.213 1.00 0.00 C ATOM 433 C TRP A 28 4.290 28.744 22.988 1.00 0.00 C ATOM 434 O TRP A 28 3.175 28.804 22.472 1.00 0.00 O ATOM 435 CB TRP A 28 5.573 26.634 22.511 1.00 0.00 C ATOM 436 CG TRP A 28 4.406 25.815 22.048 1.00 0.00 C ATOM 437 CD1 TRP A 28 3.559 25.138 22.844 1.00 0.00 C ATOM 438 CD2 TRP A 28 3.945 25.583 20.679 1.00 0.00 C ATOM 439 NE1 TRP A 28 2.495 24.680 22.093 1.00 0.00 N ATOM 440 CE2 TRP A 28 2.706 24.889 20.742 1.00 0.00 C ATOM 441 CE3 TRP A 28 4.428 25.909 19.403 1.00 0.00 C ATOM 442 CZ2 TRP A 28 1.994 24.532 19.590 1.00 0.00 C ATOM 443 CZ3 TRP A 28 3.723 25.564 18.243 1.00 0.00 C ATOM 444 CH2 TRP A 28 2.508 24.870 18.331 1.00 0.00 C ATOM 0 H TRP A 28 7.289 28.258 23.209 1.00 0.00 H new ATOM 0 HA TRP A 28 5.263 28.267 21.148 1.00 0.00 H new ATOM 0 HB2 TRP A 28 6.479 26.254 22.038 1.00 0.00 H new ATOM 0 HB3 TRP A 28 5.693 26.498 23.586 1.00 0.00 H new ATOM 0 HD1 TRP A 28 3.691 24.978 23.904 1.00 0.00 H new ATOM 0 HE1 TRP A 28 1.660 24.243 22.484 1.00 0.00 H new ATOM 0 HE3 TRP A 28 5.365 26.438 19.313 1.00 0.00 H new ATOM 0 HZ2 TRP A 28 1.057 24.001 19.671 1.00 0.00 H new ATOM 0 HZ3 TRP A 28 4.118 25.834 17.275 1.00 0.00 H new ATOM 0 HH2 TRP A 28 1.972 24.598 17.434 1.00 0.00 H new ATOM 455 N TRP A 29 4.604 29.400 24.108 1.00 0.00 N ATOM 456 CA TRP A 29 3.612 30.143 24.861 1.00 0.00 C ATOM 457 C TRP A 29 3.053 31.273 24.007 1.00 0.00 C ATOM 458 O TRP A 29 1.926 31.713 24.218 1.00 0.00 O ATOM 459 CB TRP A 29 4.258 30.700 26.136 1.00 0.00 C ATOM 460 CG TRP A 29 5.254 29.782 26.777 1.00 0.00 C ATOM 461 CD1 TRP A 29 6.403 30.162 27.364 1.00 0.00 C ATOM 462 CD2 TRP A 29 5.200 28.326 26.902 1.00 0.00 C ATOM 463 NE1 TRP A 29 6.957 29.082 28.022 1.00 0.00 N ATOM 464 CE2 TRP A 29 6.278 27.913 27.731 1.00 0.00 C ATOM 465 CE3 TRP A 29 4.341 27.322 26.428 1.00 0.00 C ATOM 466 CZ2 TRP A 29 6.492 26.568 28.059 1.00 0.00 C ATOM 467 CZ3 TRP A 29 4.539 25.975 26.753 1.00 0.00 C ATOM 468 CH2 TRP A 29 5.617 25.591 27.564 1.00 0.00 C ATOM 0 H TRP A 29 5.542 29.427 24.507 1.00 0.00 H new ATOM 0 HA TRP A 29 2.790 29.483 25.138 1.00 0.00 H new ATOM 0 HB2 TRP A 29 4.752 31.642 25.897 1.00 0.00 H new ATOM 0 HB3 TRP A 29 3.473 30.926 26.858 1.00 0.00 H new ATOM 0 HD1 TRP A 29 6.826 31.155 27.327 1.00 0.00 H new ATOM 0 HE1 TRP A 29 7.764 29.139 28.643 1.00 0.00 H new ATOM 0 HE3 TRP A 29 3.508 27.595 25.798 1.00 0.00 H new ATOM 0 HZ2 TRP A 29 7.324 26.286 28.688 1.00 0.00 H new ATOM 0 HZ3 TRP A 29 3.857 25.227 26.377 1.00 0.00 H new ATOM 0 HH2 TRP A 29 5.772 24.550 27.805 1.00 0.00 H new ATOM 479 N ASP A 30 3.818 31.690 22.995 1.00 0.00 N ATOM 480 CA ASP A 30 3.386 32.741 22.094 1.00 0.00 C ATOM 481 C ASP A 30 4.559 33.192 21.230 1.00 0.00 C ATOM 482 O ASP A 30 5.710 33.084 21.650 1.00 0.00 O ATOM 483 CB ASP A 30 2.837 33.914 22.908 1.00 0.00 C ATOM 484 CG ASP A 30 1.318 33.976 22.808 1.00 0.00 C ATOM 485 OD1 ASP A 30 0.833 34.087 21.661 1.00 0.00 O ATOM 486 OD2 ASP A 30 0.683 34.047 23.882 1.00 0.00 O ATOM 0 H ASP A 30 4.741 31.309 22.785 1.00 0.00 H new ATOM 0 HA ASP A 30 2.598 32.365 21.441 1.00 0.00 H new ATOM 0 HB2 ASP A 30 3.134 33.809 23.952 1.00 0.00 H new ATOM 0 HB3 ASP A 30 3.268 34.847 22.546 1.00 0.00 H new ATOM 491 N HIS A 31 4.253 33.850 20.109 1.00 0.00 N ATOM 492 CA HIS A 31 5.276 34.473 19.288 1.00 0.00 C ATOM 493 C HIS A 31 5.350 35.962 19.609 1.00 0.00 C ATOM 494 O HIS A 31 4.812 36.397 20.626 1.00 0.00 O ATOM 495 CB HIS A 31 4.949 34.254 17.809 1.00 0.00 C ATOM 496 CG HIS A 31 4.222 32.960 17.555 1.00 0.00 C ATOM 497 ND1 HIS A 31 2.957 32.713 18.070 1.00 0.00 N ATOM 498 CD2 HIS A 31 4.492 31.898 16.721 1.00 0.00 C ATOM 499 CE1 HIS A 31 2.657 31.434 17.779 1.00 0.00 C ATOM 500 NE2 HIS A 31 3.491 30.934 16.862 1.00 0.00 N ATOM 0 H HIS A 31 3.303 33.961 19.755 1.00 0.00 H new ATOM 0 HA HIS A 31 6.245 34.022 19.500 1.00 0.00 H new ATOM 0 HB2 HIS A 31 4.340 35.084 17.450 1.00 0.00 H new ATOM 0 HB3 HIS A 31 5.874 34.265 17.232 1.00 0.00 H new ATOM 0 HD2 HIS A 31 5.344 31.822 16.061 1.00 0.00 H new ATOM 0 HE1 HIS A 31 1.845 30.882 18.229 1.00 0.00 H new ATOM 0 HE2 HIS A 31 3.413 30.043 16.372 1.00 0.00 H new ATOM 508 N LYS A 32 6.160 36.698 18.842 1.00 0.00 N ATOM 509 CA LYS A 32 6.472 38.077 19.179 1.00 0.00 C ATOM 510 C LYS A 32 7.394 38.672 18.119 1.00 0.00 C ATOM 511 O LYS A 32 8.005 37.927 17.354 1.00 0.00 O ATOM 512 CB LYS A 32 7.134 38.118 20.556 1.00 0.00 C ATOM 513 CG LYS A 32 6.510 39.233 21.388 1.00 0.00 C ATOM 514 CD LYS A 32 7.235 39.335 22.727 1.00 0.00 C ATOM 515 CE LYS A 32 6.358 38.740 23.828 1.00 0.00 C ATOM 516 NZ LYS A 32 7.183 38.209 24.926 1.00 0.00 N ATOM 0 H LYS A 32 6.606 36.358 17.990 1.00 0.00 H new ATOM 0 HA LYS A 32 5.557 38.669 19.208 1.00 0.00 H new ATOM 0 HB2 LYS A 32 7.008 37.160 21.060 1.00 0.00 H new ATOM 0 HB3 LYS A 32 8.206 38.285 20.451 1.00 0.00 H new ATOM 0 HG2 LYS A 32 6.576 40.181 20.853 1.00 0.00 H new ATOM 0 HG3 LYS A 32 5.451 39.031 21.550 1.00 0.00 H new ATOM 0 HD2 LYS A 32 8.186 38.805 22.679 1.00 0.00 H new ATOM 0 HD3 LYS A 32 7.462 40.377 22.951 1.00 0.00 H new ATOM 0 HE2 LYS A 32 5.681 39.503 24.212 1.00 0.00 H new ATOM 0 HE3 LYS A 32 5.739 37.944 23.415 1.00 0.00 H new ATOM 0 HZ1 LYS A 32 6.566 37.810 25.662 1.00 0.00 H new ATOM 0 HZ2 LYS A 32 7.811 37.465 24.560 1.00 0.00 H new ATOM 0 HZ3 LYS A 32 7.755 38.976 25.332 1.00 0.00 H new ATOM 530 N CYS A 33 7.645 39.981 18.217 1.00 0.00 N ATOM 531 CA CYS A 33 8.687 40.613 17.423 1.00 0.00 C ATOM 532 C CYS A 33 10.042 40.377 18.081 1.00 0.00 C ATOM 533 O CYS A 33 10.093 39.989 19.249 1.00 0.00 O ATOM 534 CB CYS A 33 8.394 42.111 17.306 1.00 0.00 C ATOM 535 SG CYS A 33 6.702 42.485 16.761 1.00 0.00 S ATOM 0 H CYS A 33 7.141 40.615 18.836 1.00 0.00 H new ATOM 0 HA CYS A 33 8.708 40.181 16.423 1.00 0.00 H new ATOM 0 HB2 CYS A 33 8.567 42.582 18.273 1.00 0.00 H new ATOM 0 HB3 CYS A 33 9.099 42.556 16.604 1.00 0.00 H new ATOM 0 HG CYS A 33 6.656 43.696 16.289 1.00 0.00 H new ATOM 540 N ILE A 34 11.110 40.403 17.276 1.00 0.00 N ATOM 541 CA ILE A 34 12.412 39.947 17.736 1.00 0.00 C ATOM 542 C ILE A 34 13.278 41.148 18.098 1.00 0.00 C ATOM 543 O ILE A 34 13.638 41.328 19.261 1.00 0.00 O ATOM 544 CB ILE A 34 13.076 39.098 16.657 1.00 0.00 C ATOM 545 CG1 ILE A 34 12.040 38.308 15.869 1.00 0.00 C ATOM 546 CG2 ILE A 34 14.071 38.140 17.308 1.00 0.00 C ATOM 547 CD1 ILE A 34 11.020 37.682 16.816 1.00 0.00 C ATOM 0 H ILE A 34 11.092 40.734 16.311 1.00 0.00 H new ATOM 0 HA ILE A 34 12.290 39.330 18.626 1.00 0.00 H new ATOM 0 HB ILE A 34 13.597 39.760 15.965 1.00 0.00 H new ATOM 0 HG12 ILE A 34 11.534 38.964 15.160 1.00 0.00 H new ATOM 0 HG13 ILE A 34 12.532 37.529 15.287 1.00 0.00 H new ATOM 0 HG21 ILE A 34 14.547 37.532 16.539 1.00 0.00 H new ATOM 0 HG22 ILE A 34 14.831 38.711 17.841 1.00 0.00 H new ATOM 0 HG23 ILE A 34 13.546 37.492 18.010 1.00 0.00 H new ATOM 0 HD11 ILE A 34 10.285 37.120 16.239 1.00 0.00 H new ATOM 0 HD12 ILE A 34 11.529 37.011 17.507 1.00 0.00 H new ATOM 0 HD13 ILE A 34 10.516 38.468 17.379 1.00 0.00 H new ATOM 559 N GLY A 35 13.705 41.904 17.083 1.00 0.00 N ATOM 560 CA GLY A 35 14.644 42.992 17.284 1.00 0.00 C ATOM 561 C GLY A 35 13.890 44.301 17.480 1.00 0.00 C ATOM 562 O GLY A 35 14.315 45.296 16.854 1.00 0.00 O ATOM 563 OXT GLY A 35 13.011 44.318 18.370 1.00 0.00 O ATOM 0 H GLY A 35 13.410 41.776 16.115 1.00 0.00 H new ATOM 0 HA2 GLY A 35 15.268 42.789 18.154 1.00 0.00 H new ATOM 0 HA3 GLY A 35 15.310 43.072 16.425 1.00 0.00 H new