USER MOD reduce.3.24.130724 H: found=0, std=0, add=582, rem=0, adj=18 USER MOD reduce.3.24.130724 removed 584 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 2 GLN : amide:sc=-0.00406 K(o=-0.0041,f=-0.85) USER MOD Single : A 6 LYS NZ :NH3+ -162:sc= -0.071 (180deg=-0.553) USER MOD Single : A 7 THR OG1 : rot -58:sc= 1.11 USER MOD Single : A 9 THR OG1 : rot 180:sc= 0 USER MOD Single : A 11 LYS NZ :NH3+ -161:sc= -0.0238 (180deg=-0.321) USER MOD Single : A 12 THR OG1 : rot 180:sc= 0 USER MOD Single : A 14 THR OG1 : rot 180:sc= 0 USER MOD Single : A 20 SER OG : rot 180:sc= 0 USER MOD Single : A 22 THR OG1 : rot 180:sc= 0 USER MOD Single : A 25 ASN : amide:sc= -1.51 K(o=-1.5,f=-6.7!) USER MOD Single : A 27 LYS NZ :NH3+ -146:sc= -9.81! (180deg=-14.8!) USER MOD Single : A 29 LYS NZ :NH3+ -178:sc= 0.282 (180deg=0.276) USER MOD Single : A 31 GLN : amide:sc= -1.09 X(o=-1.1,f=-1.4) USER MOD Single : A 33 LYS NZ :NH3+ -165:sc= -0.0157 (180deg=-0.238) USER MOD Single : A 40 GLN : amide:sc= -0.119 X(o=-0.12,f=-0.12) USER MOD Single : A 41 GLN : amide:sc= -0.319 K(o=-0.32,f=-4.5!) USER MOD Single : A 48 LYS NZ :NH3+ 160:sc= -0.171 (180deg=-0.894) USER MOD Single : A 49 GLN :FLIP amide:sc= -4.34! C(o=-6.3!,f=-4.3!) USER MOD Single : A 55 THR OG1 : rot 180:sc= 0 USER MOD Single : A 57 SER OG : rot 64:sc= 0.459 USER MOD Single : A 59 TYR OH : rot 163:sc= -1.6 USER MOD Single : A 60 ASN : amide:sc= -1.73! C(o=-1.7!,f=-4.2!) USER MOD Single : A 62 GLN : amide:sc= -0.248 X(o=-0.25,f=-0.25) USER MOD Single : A 63 LYS NZ :NH3+ 162:sc= -0.053 (180deg=-0.397) USER MOD Single : A 66 THR OG1 : rot -27:sc= 0.568 USER MOD Single : A 68 HIS : no HD1:sc= -2.31 K(o=-2.3,f=-8.1!) USER MOD ----------------------------------------------------------------- ATOM 20 N GLN A 2 28.746 28.088 2.763 1.00 0.00 N ATOM 21 CA GLN A 2 28.808 29.330 3.527 1.00 0.00 C ATOM 22 C GLN A 2 27.943 29.234 4.783 1.00 0.00 C ATOM 23 O GLN A 2 26.890 28.597 4.780 1.00 0.00 O ATOM 24 CB GLN A 2 28.322 30.492 2.658 1.00 0.00 C ATOM 25 CG GLN A 2 26.905 30.201 2.159 1.00 0.00 C ATOM 26 CD GLN A 2 26.437 31.319 1.234 1.00 0.00 C ATOM 27 OE1 GLN A 2 27.233 31.874 0.476 1.00 0.00 O ATOM 28 NE2 GLN A 2 25.183 31.687 1.250 1.00 0.00 N ATOM 0 HA GLN A 2 29.841 29.502 3.828 1.00 0.00 H new ATOM 0 HB2 GLN A 2 28.333 31.418 3.232 1.00 0.00 H new ATOM 0 HB3 GLN A 2 28.995 30.633 1.812 1.00 0.00 H new ATOM 0 HG2 GLN A 2 26.886 29.248 1.630 1.00 0.00 H new ATOM 0 HG3 GLN A 2 26.224 30.109 3.005 1.00 0.00 H new ATOM 0 HE21 GLN A 2 24.524 31.227 1.878 1.00 0.00 H new ATOM 0 HE22 GLN A 2 24.863 32.435 0.634 1.00 0.00 H new ATOM 37 N ILE A 3 28.402 29.881 5.851 1.00 0.00 N ATOM 38 CA ILE A 3 27.677 29.879 7.119 1.00 0.00 C ATOM 39 C ILE A 3 27.775 31.241 7.800 1.00 0.00 C ATOM 40 O ILE A 3 28.784 31.934 7.686 1.00 0.00 O ATOM 41 CB ILE A 3 28.239 28.801 8.047 1.00 0.00 C ATOM 42 CG1 ILE A 3 29.717 29.078 8.346 1.00 0.00 C ATOM 43 CG2 ILE A 3 28.111 27.431 7.382 1.00 0.00 C ATOM 44 CD1 ILE A 3 30.223 28.092 9.402 1.00 0.00 C ATOM 0 H ILE A 3 29.272 30.413 5.864 1.00 0.00 H new ATOM 0 HA ILE A 3 26.629 29.665 6.910 1.00 0.00 H new ATOM 0 HB ILE A 3 27.674 28.813 8.979 1.00 0.00 H new ATOM 0 HG12 ILE A 3 30.306 28.983 7.434 1.00 0.00 H new ATOM 0 HG13 ILE A 3 29.841 30.101 8.701 1.00 0.00 H new ATOM 0 HG21 ILE A 3 28.512 26.665 8.046 1.00 0.00 H new ATOM 0 HG22 ILE A 3 27.061 27.221 7.180 1.00 0.00 H new ATOM 0 HG23 ILE A 3 28.669 27.428 6.445 1.00 0.00 H new ATOM 0 HD11 ILE A 3 31.274 28.292 9.612 1.00 0.00 H new ATOM 0 HD12 ILE A 3 29.642 28.208 10.317 1.00 0.00 H new ATOM 0 HD13 ILE A 3 30.115 27.073 9.030 1.00 0.00 H new ATOM 56 N PHE A 4 26.712 31.617 8.502 1.00 0.00 N ATOM 57 CA PHE A 4 26.666 32.904 9.199 1.00 0.00 C ATOM 58 C PHE A 4 27.065 32.735 10.659 1.00 0.00 C ATOM 59 O PHE A 4 26.512 31.886 11.357 1.00 0.00 O ATOM 60 CB PHE A 4 25.248 33.472 9.130 1.00 0.00 C ATOM 61 CG PHE A 4 24.950 33.937 7.724 1.00 0.00 C ATOM 62 CD1 PHE A 4 24.673 32.999 6.722 1.00 0.00 C ATOM 63 CD2 PHE A 4 24.942 35.305 7.422 1.00 0.00 C ATOM 64 CE1 PHE A 4 24.389 33.428 5.420 1.00 0.00 C ATOM 65 CE2 PHE A 4 24.659 35.733 6.121 1.00 0.00 C ATOM 66 CZ PHE A 4 24.382 34.795 5.120 1.00 0.00 C ATOM 0 H PHE A 4 25.869 31.052 8.606 1.00 0.00 H new ATOM 0 HA PHE A 4 27.366 33.586 8.716 1.00 0.00 H new ATOM 0 HB2 PHE A 4 24.527 32.712 9.432 1.00 0.00 H new ATOM 0 HB3 PHE A 4 25.145 34.304 9.827 1.00 0.00 H new ATOM 0 HD1 PHE A 4 24.678 31.944 6.954 1.00 0.00 H new ATOM 0 HD2 PHE A 4 25.154 36.029 8.194 1.00 0.00 H new ATOM 0 HE1 PHE A 4 24.175 32.704 4.647 1.00 0.00 H new ATOM 0 HE2 PHE A 4 24.654 36.788 5.889 1.00 0.00 H new ATOM 0 HZ PHE A 4 24.163 35.126 4.116 1.00 0.00 H new ATOM 76 N VAL A 5 28.009 33.559 11.133 1.00 0.00 N ATOM 77 CA VAL A 5 28.449 33.495 12.526 1.00 0.00 C ATOM 78 C VAL A 5 28.011 34.744 13.276 1.00 0.00 C ATOM 79 O VAL A 5 28.438 35.858 12.972 1.00 0.00 O ATOM 80 CB VAL A 5 29.974 33.352 12.595 1.00 0.00 C ATOM 81 CG1 VAL A 5 30.468 33.650 14.020 1.00 0.00 C ATOM 82 CG2 VAL A 5 30.349 31.918 12.233 1.00 0.00 C ATOM 0 H VAL A 5 28.478 34.272 10.574 1.00 0.00 H new ATOM 0 HA VAL A 5 27.991 32.624 12.994 1.00 0.00 H new ATOM 0 HB VAL A 5 30.434 34.055 11.901 1.00 0.00 H new ATOM 0 HG11 VAL A 5 31.552 33.546 14.058 1.00 0.00 H new ATOM 0 HG12 VAL A 5 30.191 34.668 14.296 1.00 0.00 H new ATOM 0 HG13 VAL A 5 30.011 32.948 14.718 1.00 0.00 H new ATOM 0 HG21 VAL A 5 31.432 31.803 12.278 1.00 0.00 H new ATOM 0 HG22 VAL A 5 29.881 31.231 12.938 1.00 0.00 H new ATOM 0 HG23 VAL A 5 30.002 31.695 11.224 1.00 0.00 H new ATOM 92 N LYS A 6 27.146 34.533 14.243 1.00 0.00 N ATOM 93 CA LYS A 6 26.618 35.623 15.053 1.00 0.00 C ATOM 94 C LYS A 6 27.472 35.830 16.305 1.00 0.00 C ATOM 95 O LYS A 6 27.413 35.034 17.245 1.00 0.00 O ATOM 96 CB LYS A 6 25.184 35.273 15.441 1.00 0.00 C ATOM 97 CG LYS A 6 24.444 36.507 15.942 1.00 0.00 C ATOM 98 CD LYS A 6 22.967 36.141 16.128 1.00 0.00 C ATOM 99 CE LYS A 6 22.175 37.363 16.589 1.00 0.00 C ATOM 100 NZ LYS A 6 22.720 37.844 17.888 1.00 0.00 N ATOM 0 H LYS A 6 26.787 33.612 14.494 1.00 0.00 H new ATOM 0 HA LYS A 6 26.639 36.552 14.483 1.00 0.00 H new ATOM 0 HB2 LYS A 6 24.662 34.854 14.581 1.00 0.00 H new ATOM 0 HB3 LYS A 6 25.189 34.506 16.216 1.00 0.00 H new ATOM 0 HG2 LYS A 6 24.872 36.850 16.884 1.00 0.00 H new ATOM 0 HG3 LYS A 6 24.545 37.326 15.230 1.00 0.00 H new ATOM 0 HD2 LYS A 6 22.557 35.765 15.191 1.00 0.00 H new ATOM 0 HD3 LYS A 6 22.873 35.340 16.861 1.00 0.00 H new ATOM 0 HE2 LYS A 6 22.237 38.153 15.841 1.00 0.00 H new ATOM 0 HE3 LYS A 6 21.121 37.108 16.697 1.00 0.00 H new ATOM 0 HZ1 LYS A 6 22.021 38.460 18.351 1.00 0.00 H new ATOM 0 HZ2 LYS A 6 22.924 37.030 18.502 1.00 0.00 H new ATOM 0 HZ3 LYS A 6 23.596 38.379 17.720 1.00 0.00 H new ATOM 114 N THR A 7 28.270 36.897 16.305 1.00 0.00 N ATOM 115 CA THR A 7 29.137 37.195 17.445 1.00 0.00 C ATOM 116 C THR A 7 28.306 37.705 18.619 1.00 0.00 C ATOM 117 O THR A 7 27.099 37.908 18.486 1.00 0.00 O ATOM 118 CB THR A 7 30.184 38.244 17.061 1.00 0.00 C ATOM 119 OG1 THR A 7 29.533 39.466 16.747 1.00 0.00 O ATOM 120 CG2 THR A 7 30.985 37.756 15.850 1.00 0.00 C ATOM 0 H THR A 7 28.335 37.564 15.536 1.00 0.00 H new ATOM 0 HA THR A 7 29.647 36.277 17.738 1.00 0.00 H new ATOM 0 HB THR A 7 30.865 38.401 17.897 1.00 0.00 H new ATOM 0 HG1 THR A 7 28.901 39.321 16.012 1.00 0.00 H new ATOM 0 HG21 THR A 7 31.729 38.505 15.580 1.00 0.00 H new ATOM 0 HG22 THR A 7 31.486 36.820 16.098 1.00 0.00 H new ATOM 0 HG23 THR A 7 30.311 37.595 15.009 1.00 0.00 H new ATOM 128 N LEU A 8 28.939 37.901 19.774 1.00 0.00 N ATOM 129 CA LEU A 8 28.216 38.371 20.951 1.00 0.00 C ATOM 130 C LEU A 8 27.946 39.866 20.870 1.00 0.00 C ATOM 131 O LEU A 8 26.929 40.344 21.373 1.00 0.00 O ATOM 132 CB LEU A 8 29.025 38.064 22.220 1.00 0.00 C ATOM 133 CG LEU A 8 29.062 36.542 22.474 1.00 0.00 C ATOM 134 CD1 LEU A 8 27.634 36.001 22.678 1.00 0.00 C ATOM 135 CD2 LEU A 8 29.719 35.827 21.280 1.00 0.00 C ATOM 0 H LEU A 8 29.936 37.744 19.918 1.00 0.00 H new ATOM 0 HA LEU A 8 27.260 37.849 20.989 1.00 0.00 H new ATOM 0 HB2 LEU A 8 30.040 38.447 22.114 1.00 0.00 H new ATOM 0 HB3 LEU A 8 28.580 38.572 23.076 1.00 0.00 H new ATOM 0 HG LEU A 8 29.646 36.352 23.375 1.00 0.00 H new ATOM 0 HD11 LEU A 8 27.674 34.926 22.856 1.00 0.00 H new ATOM 0 HD12 LEU A 8 27.177 36.494 23.536 1.00 0.00 H new ATOM 0 HD13 LEU A 8 27.039 36.199 21.786 1.00 0.00 H new ATOM 0 HD21 LEU A 8 29.742 34.753 21.466 1.00 0.00 H new ATOM 0 HD22 LEU A 8 29.144 36.026 20.375 1.00 0.00 H new ATOM 0 HD23 LEU A 8 30.737 36.194 21.151 1.00 0.00 H new ATOM 147 N THR A 9 28.853 40.602 20.244 1.00 0.00 N ATOM 148 CA THR A 9 28.682 42.044 20.119 1.00 0.00 C ATOM 149 C THR A 9 27.542 42.367 19.159 1.00 0.00 C ATOM 150 O THR A 9 27.207 43.532 18.947 1.00 0.00 O ATOM 151 CB THR A 9 29.977 42.690 19.615 1.00 0.00 C ATOM 152 OG1 THR A 9 31.037 42.383 20.510 1.00 0.00 O ATOM 153 CG2 THR A 9 29.799 44.209 19.534 1.00 0.00 C ATOM 0 H THR A 9 29.704 40.232 19.820 1.00 0.00 H new ATOM 0 HA THR A 9 28.440 42.445 21.103 1.00 0.00 H new ATOM 0 HB THR A 9 30.213 42.302 18.624 1.00 0.00 H new ATOM 0 HG1 THR A 9 31.866 42.794 20.188 1.00 0.00 H new ATOM 0 HG21 THR A 9 30.722 44.665 19.175 1.00 0.00 H new ATOM 0 HG22 THR A 9 28.987 44.444 18.846 1.00 0.00 H new ATOM 0 HG23 THR A 9 29.561 44.601 20.523 1.00 0.00 H new ATOM 161 N GLY A 10 26.944 41.330 18.582 1.00 0.00 N ATOM 162 CA GLY A 10 25.840 41.520 17.647 1.00 0.00 C ATOM 163 C GLY A 10 26.361 41.775 16.238 1.00 0.00 C ATOM 164 O GLY A 10 25.610 42.197 15.358 1.00 0.00 O ATOM 0 H GLY A 10 27.202 40.356 18.743 1.00 0.00 H new ATOM 0 HA2 GLY A 10 25.200 40.637 17.649 1.00 0.00 H new ATOM 0 HA3 GLY A 10 25.225 42.360 17.970 1.00 0.00 H new ATOM 168 N LYS A 11 27.642 41.485 16.019 1.00 0.00 N ATOM 169 CA LYS A 11 28.243 41.652 14.698 1.00 0.00 C ATOM 170 C LYS A 11 28.130 40.350 13.917 1.00 0.00 C ATOM 171 O LYS A 11 28.600 39.304 14.368 1.00 0.00 O ATOM 172 CB LYS A 11 29.715 42.052 14.829 1.00 0.00 C ATOM 173 CG LYS A 11 29.813 43.470 15.406 1.00 0.00 C ATOM 174 CD LYS A 11 31.283 43.833 15.638 1.00 0.00 C ATOM 175 CE LYS A 11 31.384 45.286 16.109 1.00 0.00 C ATOM 176 NZ LYS A 11 31.043 46.199 14.981 1.00 0.00 N ATOM 0 H LYS A 11 28.280 41.136 16.734 1.00 0.00 H new ATOM 0 HA LYS A 11 27.712 42.442 14.166 1.00 0.00 H new ATOM 0 HB2 LYS A 11 30.237 41.348 15.477 1.00 0.00 H new ATOM 0 HB3 LYS A 11 30.202 42.010 13.855 1.00 0.00 H new ATOM 0 HG2 LYS A 11 29.356 44.184 14.721 1.00 0.00 H new ATOM 0 HG3 LYS A 11 29.261 43.530 16.344 1.00 0.00 H new ATOM 0 HD2 LYS A 11 31.719 43.167 16.383 1.00 0.00 H new ATOM 0 HD3 LYS A 11 31.851 43.698 14.718 1.00 0.00 H new ATOM 0 HE2 LYS A 11 30.707 45.456 16.946 1.00 0.00 H new ATOM 0 HE3 LYS A 11 32.392 45.494 16.467 1.00 0.00 H new ATOM 0 HZ1 LYS A 11 31.410 47.151 15.182 1.00 0.00 H new ATOM 0 HZ2 LYS A 11 31.470 45.841 14.103 1.00 0.00 H new ATOM 0 HZ3 LYS A 11 30.010 46.243 14.870 1.00 0.00 H new ATOM 190 N THR A 12 27.504 40.411 12.751 1.00 0.00 N ATOM 191 CA THR A 12 27.333 39.225 11.919 1.00 0.00 C ATOM 192 C THR A 12 28.451 39.131 10.886 1.00 0.00 C ATOM 193 O THR A 12 28.617 40.027 10.060 1.00 0.00 O ATOM 194 CB THR A 12 25.987 39.295 11.193 1.00 0.00 C ATOM 195 OG1 THR A 12 24.937 39.244 12.148 1.00 0.00 O ATOM 196 CG2 THR A 12 25.858 38.114 10.224 1.00 0.00 C ATOM 0 H THR A 12 27.107 41.265 12.359 1.00 0.00 H new ATOM 0 HA THR A 12 27.365 38.345 12.561 1.00 0.00 H new ATOM 0 HB THR A 12 25.926 40.227 10.630 1.00 0.00 H new ATOM 0 HG1 THR A 12 24.073 39.290 11.687 1.00 0.00 H new ATOM 0 HG21 THR A 12 24.898 38.168 9.710 1.00 0.00 H new ATOM 0 HG22 THR A 12 26.665 38.154 9.492 1.00 0.00 H new ATOM 0 HG23 THR A 12 25.919 37.179 10.780 1.00 0.00 H new ATOM 204 N ILE A 13 29.205 38.033 10.920 1.00 0.00 N ATOM 205 CA ILE A 13 30.295 37.825 9.962 1.00 0.00 C ATOM 206 C ILE A 13 30.144 36.462 9.300 1.00 0.00 C ATOM 207 O ILE A 13 29.974 35.445 9.972 1.00 0.00 O ATOM 208 CB ILE A 13 31.645 37.902 10.673 1.00 0.00 C ATOM 209 CG1 ILE A 13 32.783 37.868 9.634 1.00 0.00 C ATOM 210 CG2 ILE A 13 31.779 36.715 11.629 1.00 0.00 C ATOM 211 CD1 ILE A 13 34.126 37.718 10.347 1.00 0.00 C ATOM 0 H ILE A 13 29.084 37.278 11.595 1.00 0.00 H new ATOM 0 HA ILE A 13 30.249 38.605 9.202 1.00 0.00 H new ATOM 0 HB ILE A 13 31.708 38.832 11.237 1.00 0.00 H new ATOM 0 HG12 ILE A 13 32.633 37.039 8.943 1.00 0.00 H new ATOM 0 HG13 ILE A 13 32.775 38.783 9.041 1.00 0.00 H new ATOM 0 HG21 ILE A 13 32.741 36.765 12.139 1.00 0.00 H new ATOM 0 HG22 ILE A 13 30.976 36.748 12.365 1.00 0.00 H new ATOM 0 HG23 ILE A 13 31.716 35.785 11.065 1.00 0.00 H new ATOM 0 HD11 ILE A 13 34.929 37.694 9.610 1.00 0.00 H new ATOM 0 HD12 ILE A 13 34.277 38.562 11.020 1.00 0.00 H new ATOM 0 HD13 ILE A 13 34.132 36.791 10.920 1.00 0.00 H new ATOM 223 N THR A 14 30.173 36.455 7.977 1.00 0.00 N ATOM 224 CA THR A 14 30.009 35.217 7.220 1.00 0.00 C ATOM 225 C THR A 14 31.327 34.455 7.118 1.00 0.00 C ATOM 226 O THR A 14 32.406 35.043 7.038 1.00 0.00 O ATOM 227 CB THR A 14 29.472 35.533 5.819 1.00 0.00 C ATOM 228 OG1 THR A 14 28.276 36.291 5.940 1.00 0.00 O ATOM 229 CG2 THR A 14 29.173 34.229 5.068 1.00 0.00 C ATOM 0 H THR A 14 30.308 37.288 7.404 1.00 0.00 H new ATOM 0 HA THR A 14 29.295 34.584 7.747 1.00 0.00 H new ATOM 0 HB THR A 14 30.219 36.102 5.265 1.00 0.00 H new ATOM 0 HG1 THR A 14 27.928 36.498 5.047 1.00 0.00 H new ATOM 0 HG21 THR A 14 28.792 34.461 4.074 1.00 0.00 H new ATOM 0 HG22 THR A 14 30.088 33.643 4.978 1.00 0.00 H new ATOM 0 HG23 THR A 14 28.427 33.655 5.618 1.00 0.00 H new ATOM 237 N LEU A 15 31.210 33.130 7.146 1.00 0.00 N ATOM 238 CA LEU A 15 32.362 32.232 7.083 1.00 0.00 C ATOM 239 C LEU A 15 32.270 31.313 5.862 1.00 0.00 C ATOM 240 O LEU A 15 31.262 30.635 5.657 1.00 0.00 O ATOM 241 CB LEU A 15 32.388 31.379 8.377 1.00 0.00 C ATOM 242 CG LEU A 15 33.793 31.329 8.996 1.00 0.00 C ATOM 243 CD1 LEU A 15 34.066 32.628 9.756 1.00 0.00 C ATOM 244 CD2 LEU A 15 33.876 30.149 9.971 1.00 0.00 C ATOM 0 H LEU A 15 30.314 32.647 7.213 1.00 0.00 H new ATOM 0 HA LEU A 15 33.275 32.821 6.995 1.00 0.00 H new ATOM 0 HB2 LEU A 15 31.686 31.794 9.100 1.00 0.00 H new ATOM 0 HB3 LEU A 15 32.053 30.366 8.152 1.00 0.00 H new ATOM 0 HG LEU A 15 34.533 31.207 8.205 1.00 0.00 H new ATOM 0 HD11 LEU A 15 35.063 32.590 10.194 1.00 0.00 H new ATOM 0 HD12 LEU A 15 34.003 33.472 9.069 1.00 0.00 H new ATOM 0 HD13 LEU A 15 33.326 32.749 10.547 1.00 0.00 H new ATOM 0 HD21 LEU A 15 34.872 30.111 10.412 1.00 0.00 H new ATOM 0 HD22 LEU A 15 33.135 30.276 10.760 1.00 0.00 H new ATOM 0 HD23 LEU A 15 33.680 29.220 9.435 1.00 0.00 H new ATOM 256 N GLU A 16 33.339 31.272 5.080 1.00 0.00 N ATOM 257 CA GLU A 16 33.387 30.398 3.903 1.00 0.00 C ATOM 258 C GLU A 16 34.122 29.119 4.281 1.00 0.00 C ATOM 259 O GLU A 16 35.266 29.169 4.734 1.00 0.00 O ATOM 260 CB GLU A 16 34.117 31.088 2.748 1.00 0.00 C ATOM 261 CG GLU A 16 34.133 30.161 1.530 1.00 0.00 C ATOM 262 CD GLU A 16 34.721 30.892 0.329 1.00 0.00 C ATOM 263 OE1 GLU A 16 34.020 31.711 -0.243 1.00 0.00 O ATOM 264 OE2 GLU A 16 35.865 30.625 -0.002 1.00 0.00 O ATOM 0 H GLU A 16 34.182 31.827 5.232 1.00 0.00 H new ATOM 0 HA GLU A 16 32.371 30.171 3.579 1.00 0.00 H new ATOM 0 HB2 GLU A 16 33.621 32.026 2.498 1.00 0.00 H new ATOM 0 HB3 GLU A 16 35.136 31.336 3.044 1.00 0.00 H new ATOM 0 HG2 GLU A 16 34.722 29.270 1.748 1.00 0.00 H new ATOM 0 HG3 GLU A 16 33.121 29.827 1.303 1.00 0.00 H new ATOM 271 N VAL A 17 33.471 27.972 4.097 1.00 0.00 N ATOM 272 CA VAL A 17 34.096 26.689 4.435 1.00 0.00 C ATOM 273 C VAL A 17 33.487 25.557 3.615 1.00 0.00 C ATOM 274 O VAL A 17 32.550 25.752 2.845 1.00 0.00 O ATOM 275 CB VAL A 17 33.938 26.402 5.944 1.00 0.00 C ATOM 276 CG1 VAL A 17 32.459 26.242 6.309 1.00 0.00 C ATOM 277 CG2 VAL A 17 34.691 25.127 6.347 1.00 0.00 C ATOM 0 H VAL A 17 32.525 27.901 3.722 1.00 0.00 H new ATOM 0 HA VAL A 17 35.158 26.750 4.196 1.00 0.00 H new ATOM 0 HB VAL A 17 34.360 27.250 6.483 1.00 0.00 H new ATOM 0 HG11 VAL A 17 32.367 26.040 7.376 1.00 0.00 H new ATOM 0 HG12 VAL A 17 31.923 27.159 6.066 1.00 0.00 H new ATOM 0 HG13 VAL A 17 32.033 25.412 5.745 1.00 0.00 H new ATOM 0 HG21 VAL A 17 34.562 24.950 7.415 1.00 0.00 H new ATOM 0 HG22 VAL A 17 34.295 24.279 5.788 1.00 0.00 H new ATOM 0 HG23 VAL A 17 35.752 25.245 6.125 1.00 0.00 H new ATOM 287 N GLU A 18 34.032 24.373 3.815 1.00 0.00 N ATOM 288 CA GLU A 18 33.555 23.163 3.130 1.00 0.00 C ATOM 289 C GLU A 18 32.646 22.373 4.076 1.00 0.00 C ATOM 290 O GLU A 18 32.844 22.415 5.287 1.00 0.00 O ATOM 291 CB GLU A 18 34.746 22.298 2.710 1.00 0.00 C ATOM 292 CG GLU A 18 35.592 23.055 1.684 1.00 0.00 C ATOM 293 CD GLU A 18 36.306 24.222 2.356 1.00 0.00 C ATOM 294 OE1 GLU A 18 36.525 24.146 3.553 1.00 0.00 O ATOM 295 OE2 GLU A 18 36.624 25.175 1.664 1.00 0.00 O ATOM 0 H GLU A 18 34.813 24.211 4.450 1.00 0.00 H new ATOM 0 HA GLU A 18 32.995 23.447 2.239 1.00 0.00 H new ATOM 0 HB2 GLU A 18 35.351 22.046 3.581 1.00 0.00 H new ATOM 0 HB3 GLU A 18 34.394 21.358 2.284 1.00 0.00 H new ATOM 0 HG2 GLU A 18 36.322 22.382 1.234 1.00 0.00 H new ATOM 0 HG3 GLU A 18 34.958 23.422 0.877 1.00 0.00 H new ATOM 302 N PRO A 19 31.661 21.661 3.580 1.00 0.00 N ATOM 303 CA PRO A 19 30.745 20.877 4.462 1.00 0.00 C ATOM 304 C PRO A 19 31.430 19.639 5.048 1.00 0.00 C ATOM 305 O PRO A 19 30.979 19.087 6.053 1.00 0.00 O ATOM 306 CB PRO A 19 29.583 20.493 3.534 1.00 0.00 C ATOM 307 CG PRO A 19 30.181 20.468 2.161 1.00 0.00 C ATOM 308 CD PRO A 19 31.301 21.518 2.154 1.00 0.00 C ATOM 0 HA PRO A 19 30.420 21.448 5.331 1.00 0.00 H new ATOM 0 HB2 PRO A 19 29.167 19.522 3.802 1.00 0.00 H new ATOM 0 HB3 PRO A 19 28.770 21.216 3.598 1.00 0.00 H new ATOM 0 HG2 PRO A 19 30.575 19.479 1.928 1.00 0.00 H new ATOM 0 HG3 PRO A 19 29.429 20.698 1.406 1.00 0.00 H new ATOM 0 HD2 PRO A 19 32.153 21.190 1.558 1.00 0.00 H new ATOM 0 HD3 PRO A 19 30.960 22.463 1.731 1.00 0.00 H new ATOM 316 N SER A 20 32.517 19.212 4.415 1.00 0.00 N ATOM 317 CA SER A 20 33.257 18.042 4.882 1.00 0.00 C ATOM 318 C SER A 20 34.205 18.428 6.010 1.00 0.00 C ATOM 319 O SER A 20 34.500 17.618 6.890 1.00 0.00 O ATOM 320 CB SER A 20 34.046 17.431 3.724 1.00 0.00 C ATOM 321 OG SER A 20 35.016 18.366 3.271 1.00 0.00 O ATOM 0 H SER A 20 32.905 19.654 3.582 1.00 0.00 H new ATOM 0 HA SER A 20 32.547 17.307 5.260 1.00 0.00 H new ATOM 0 HB2 SER A 20 34.534 16.511 4.047 1.00 0.00 H new ATOM 0 HB3 SER A 20 33.372 17.166 2.910 1.00 0.00 H new ATOM 0 HG SER A 20 35.525 17.976 2.530 1.00 0.00 H new ATOM 327 N ASP A 21 34.685 19.669 5.982 1.00 0.00 N ATOM 328 CA ASP A 21 35.600 20.150 6.998 1.00 0.00 C ATOM 329 C ASP A 21 35.044 19.864 8.388 1.00 0.00 C ATOM 330 O ASP A 21 33.833 19.917 8.609 1.00 0.00 O ATOM 331 CB ASP A 21 35.793 21.661 6.820 1.00 0.00 C ATOM 332 CG ASP A 21 36.818 21.943 5.725 1.00 0.00 C ATOM 333 OD1 ASP A 21 37.229 21.001 5.070 1.00 0.00 O ATOM 334 OD2 ASP A 21 37.182 23.096 5.565 1.00 0.00 O ATOM 0 H ASP A 21 34.452 20.355 5.264 1.00 0.00 H new ATOM 0 HA ASP A 21 36.557 19.638 6.894 1.00 0.00 H new ATOM 0 HB2 ASP A 21 34.842 22.128 6.565 1.00 0.00 H new ATOM 0 HB3 ASP A 21 36.124 22.105 7.759 1.00 0.00 H new ATOM 339 N THR A 22 35.939 19.566 9.320 1.00 0.00 N ATOM 340 CA THR A 22 35.532 19.284 10.689 1.00 0.00 C ATOM 341 C THR A 22 35.343 20.584 11.468 1.00 0.00 C ATOM 342 O THR A 22 35.495 21.685 10.925 1.00 0.00 O ATOM 343 CB THR A 22 36.578 18.408 11.382 1.00 0.00 C ATOM 344 OG1 THR A 22 37.808 19.113 11.457 1.00 0.00 O ATOM 345 CG2 THR A 22 36.771 17.117 10.587 1.00 0.00 C ATOM 0 H THR A 22 36.944 19.514 9.155 1.00 0.00 H new ATOM 0 HA THR A 22 34.582 18.749 10.664 1.00 0.00 H new ATOM 0 HB THR A 22 36.240 18.163 12.389 1.00 0.00 H new ATOM 0 HG1 THR A 22 38.479 18.554 11.902 1.00 0.00 H new ATOM 0 HG21 THR A 22 37.516 16.493 11.081 1.00 0.00 H new ATOM 0 HG22 THR A 22 35.825 16.578 10.533 1.00 0.00 H new ATOM 0 HG23 THR A 22 37.110 17.357 9.579 1.00 0.00 H new ATOM 353 N ILE A 23 35.037 20.455 12.751 1.00 0.00 N ATOM 354 CA ILE A 23 34.866 21.634 13.583 1.00 0.00 C ATOM 355 C ILE A 23 36.221 22.304 13.806 1.00 0.00 C ATOM 356 O ILE A 23 36.329 23.527 13.778 1.00 0.00 O ATOM 357 CB ILE A 23 34.228 21.251 14.921 1.00 0.00 C ATOM 358 CG1 ILE A 23 32.750 20.911 14.698 1.00 0.00 C ATOM 359 CG2 ILE A 23 34.331 22.421 15.906 1.00 0.00 C ATOM 360 CD1 ILE A 23 32.617 19.657 13.833 1.00 0.00 C ATOM 0 H ILE A 23 34.904 19.564 13.230 1.00 0.00 H new ATOM 0 HA ILE A 23 34.203 22.337 13.078 1.00 0.00 H new ATOM 0 HB ILE A 23 34.752 20.388 15.332 1.00 0.00 H new ATOM 0 HG12 ILE A 23 32.258 20.753 15.658 1.00 0.00 H new ATOM 0 HG13 ILE A 23 32.246 21.749 14.216 1.00 0.00 H new ATOM 0 HG21 ILE A 23 33.874 22.139 16.855 1.00 0.00 H new ATOM 0 HG22 ILE A 23 35.380 22.669 16.068 1.00 0.00 H new ATOM 0 HG23 ILE A 23 33.812 23.288 15.497 1.00 0.00 H new ATOM 0 HD11 ILE A 23 31.562 19.428 13.684 1.00 0.00 H new ATOM 0 HD12 ILE A 23 33.091 19.829 12.867 1.00 0.00 H new ATOM 0 HD13 ILE A 23 33.103 18.818 14.331 1.00 0.00 H new ATOM 372 N GLU A 24 37.255 21.496 14.015 1.00 0.00 N ATOM 373 CA GLU A 24 38.595 22.035 14.228 1.00 0.00 C ATOM 374 C GLU A 24 38.895 23.094 13.177 1.00 0.00 C ATOM 375 O GLU A 24 39.626 24.051 13.429 1.00 0.00 O ATOM 376 CB GLU A 24 39.636 20.917 14.138 1.00 0.00 C ATOM 377 CG GLU A 24 39.219 19.750 15.033 1.00 0.00 C ATOM 378 CD GLU A 24 39.125 20.213 16.483 1.00 0.00 C ATOM 379 OE1 GLU A 24 39.923 21.049 16.871 1.00 0.00 O ATOM 380 OE2 GLU A 24 38.256 19.724 17.184 1.00 0.00 O ATOM 0 H GLU A 24 37.194 20.478 14.042 1.00 0.00 H new ATOM 0 HA GLU A 24 38.640 22.483 15.221 1.00 0.00 H new ATOM 0 HB2 GLU A 24 39.733 20.580 13.106 1.00 0.00 H new ATOM 0 HB3 GLU A 24 40.613 21.291 14.444 1.00 0.00 H new ATOM 0 HG2 GLU A 24 38.257 19.355 14.705 1.00 0.00 H new ATOM 0 HG3 GLU A 24 39.942 18.939 14.948 1.00 0.00 H new ATOM 387 N ASN A 25 38.294 22.927 12.004 1.00 0.00 N ATOM 388 CA ASN A 25 38.480 23.887 10.925 1.00 0.00 C ATOM 389 C ASN A 25 37.705 25.158 11.241 1.00 0.00 C ATOM 390 O ASN A 25 38.288 26.232 11.386 1.00 0.00 O ATOM 391 CB ASN A 25 37.998 23.308 9.595 1.00 0.00 C ATOM 392 CG ASN A 25 38.355 24.257 8.454 1.00 0.00 C ATOM 393 OD1 ASN A 25 37.470 24.869 7.854 1.00 0.00 O ATOM 394 ND2 ASN A 25 39.606 24.417 8.117 1.00 0.00 N ATOM 0 H ASN A 25 37.680 22.144 11.778 1.00 0.00 H new ATOM 0 HA ASN A 25 39.543 24.113 10.837 1.00 0.00 H new ATOM 0 HB2 ASN A 25 38.456 22.334 9.426 1.00 0.00 H new ATOM 0 HB3 ASN A 25 36.920 23.152 9.626 1.00 0.00 H new ATOM 0 HD21 ASN A 25 39.852 25.050 7.356 1.00 0.00 H new ATOM 0 HD22 ASN A 25 40.337 23.909 8.615 1.00 0.00 H new ATOM 401 N VAL A 26 36.386 25.026 11.344 1.00 0.00 N ATOM 402 CA VAL A 26 35.540 26.179 11.651 1.00 0.00 C ATOM 403 C VAL A 26 36.085 26.928 12.854 1.00 0.00 C ATOM 404 O VAL A 26 35.852 28.127 13.023 1.00 0.00 O ATOM 405 CB VAL A 26 34.117 25.712 11.938 1.00 0.00 C ATOM 406 CG1 VAL A 26 33.217 26.919 12.204 1.00 0.00 C ATOM 407 CG2 VAL A 26 33.600 24.953 10.730 1.00 0.00 C ATOM 0 H VAL A 26 35.884 24.147 11.222 1.00 0.00 H new ATOM 0 HA VAL A 26 35.535 26.849 10.792 1.00 0.00 H new ATOM 0 HB VAL A 26 34.113 25.067 12.816 1.00 0.00 H new ATOM 0 HG11 VAL A 26 32.202 26.578 12.408 1.00 0.00 H new ATOM 0 HG12 VAL A 26 33.594 27.472 13.065 1.00 0.00 H new ATOM 0 HG13 VAL A 26 33.212 27.569 11.329 1.00 0.00 H new ATOM 0 HG21 VAL A 26 32.582 24.613 10.922 1.00 0.00 H new ATOM 0 HG22 VAL A 26 33.605 25.608 9.859 1.00 0.00 H new ATOM 0 HG23 VAL A 26 34.240 24.092 10.540 1.00 0.00 H new ATOM 417 N LYS A 27 36.828 26.209 13.674 1.00 0.00 N ATOM 418 CA LYS A 27 37.425 26.800 14.860 1.00 0.00 C ATOM 419 C LYS A 27 38.623 27.637 14.457 1.00 0.00 C ATOM 420 O LYS A 27 38.712 28.820 14.786 1.00 0.00 O ATOM 421 CB LYS A 27 37.872 25.696 15.826 1.00 0.00 C ATOM 422 CG LYS A 27 36.650 25.092 16.532 1.00 0.00 C ATOM 423 CD LYS A 27 36.215 25.990 17.697 1.00 0.00 C ATOM 424 CE LYS A 27 35.273 25.214 18.616 1.00 0.00 C ATOM 425 NZ LYS A 27 34.352 24.380 17.795 1.00 0.00 N ATOM 0 H LYS A 27 37.033 25.218 13.543 1.00 0.00 H new ATOM 0 HA LYS A 27 36.688 27.431 15.357 1.00 0.00 H new ATOM 0 HB2 LYS A 27 38.408 24.919 15.281 1.00 0.00 H new ATOM 0 HB3 LYS A 27 38.564 26.104 16.563 1.00 0.00 H new ATOM 0 HG2 LYS A 27 35.830 24.980 15.823 1.00 0.00 H new ATOM 0 HG3 LYS A 27 36.890 24.095 16.901 1.00 0.00 H new ATOM 0 HD2 LYS A 27 37.088 26.328 18.255 1.00 0.00 H new ATOM 0 HD3 LYS A 27 35.716 26.881 17.316 1.00 0.00 H new ATOM 0 HE2 LYS A 27 35.848 24.581 19.293 1.00 0.00 H new ATOM 0 HE3 LYS A 27 34.701 25.905 19.235 1.00 0.00 H new ATOM 0 HZ1 LYS A 27 33.425 24.323 18.263 1.00 0.00 H new ATOM 0 HZ2 LYS A 27 34.239 24.810 16.855 1.00 0.00 H new ATOM 0 HZ3 LYS A 27 34.748 23.424 17.693 1.00 0.00 H new ATOM 439 N ALA A 28 39.540 27.006 13.743 1.00 0.00 N ATOM 440 CA ALA A 28 40.740 27.684 13.288 1.00 0.00 C ATOM 441 C ALA A 28 40.382 28.962 12.533 1.00 0.00 C ATOM 442 O ALA A 28 41.098 29.959 12.616 1.00 0.00 O ATOM 443 CB ALA A 28 41.529 26.745 12.377 1.00 0.00 C ATOM 0 H ALA A 28 39.476 26.026 13.467 1.00 0.00 H new ATOM 0 HA ALA A 28 41.346 27.956 14.152 1.00 0.00 H new ATOM 0 HB1 ALA A 28 42.432 27.248 12.031 1.00 0.00 H new ATOM 0 HB2 ALA A 28 41.803 25.847 12.930 1.00 0.00 H new ATOM 0 HB3 ALA A 28 40.916 26.470 11.519 1.00 0.00 H new ATOM 449 N LYS A 29 39.262 28.931 11.814 1.00 0.00 N ATOM 450 CA LYS A 29 38.823 30.106 11.073 1.00 0.00 C ATOM 451 C LYS A 29 38.447 31.225 12.045 1.00 0.00 C ATOM 452 O LYS A 29 39.080 32.281 12.067 1.00 0.00 O ATOM 453 CB LYS A 29 37.631 29.753 10.177 1.00 0.00 C ATOM 454 CG LYS A 29 38.141 29.110 8.876 1.00 0.00 C ATOM 455 CD LYS A 29 37.022 28.306 8.225 1.00 0.00 C ATOM 456 CE LYS A 29 37.578 27.533 7.027 1.00 0.00 C ATOM 457 NZ LYS A 29 37.941 28.489 5.943 1.00 0.00 N ATOM 0 H LYS A 29 38.652 28.118 11.730 1.00 0.00 H new ATOM 0 HA LYS A 29 39.640 30.451 10.440 1.00 0.00 H new ATOM 0 HB2 LYS A 29 36.962 29.067 10.697 1.00 0.00 H new ATOM 0 HB3 LYS A 29 37.054 30.650 9.950 1.00 0.00 H new ATOM 0 HG2 LYS A 29 38.492 29.882 8.191 1.00 0.00 H new ATOM 0 HG3 LYS A 29 38.991 28.462 9.089 1.00 0.00 H new ATOM 0 HD2 LYS A 29 36.589 27.615 8.948 1.00 0.00 H new ATOM 0 HD3 LYS A 29 36.222 28.972 7.902 1.00 0.00 H new ATOM 0 HE2 LYS A 29 38.454 26.957 7.327 1.00 0.00 H new ATOM 0 HE3 LYS A 29 36.837 26.820 6.665 1.00 0.00 H new ATOM 0 HZ1 LYS A 29 38.287 27.961 5.116 1.00 0.00 H new ATOM 0 HZ2 LYS A 29 37.103 29.043 5.674 1.00 0.00 H new ATOM 0 HZ3 LYS A 29 38.687 29.130 6.281 1.00 0.00 H new ATOM 471 N ILE A 30 37.401 30.992 12.832 1.00 0.00 N ATOM 472 CA ILE A 30 36.933 31.978 13.787 1.00 0.00 C ATOM 473 C ILE A 30 38.080 32.483 14.666 1.00 0.00 C ATOM 474 O ILE A 30 38.152 33.672 14.976 1.00 0.00 O ATOM 475 CB ILE A 30 35.836 31.339 14.651 1.00 0.00 C ATOM 476 CG1 ILE A 30 34.549 31.203 13.827 1.00 0.00 C ATOM 477 CG2 ILE A 30 35.558 32.211 15.874 1.00 0.00 C ATOM 478 CD1 ILE A 30 33.563 30.298 14.567 1.00 0.00 C ATOM 0 H ILE A 30 36.863 30.125 12.823 1.00 0.00 H new ATOM 0 HA ILE A 30 36.532 32.838 13.250 1.00 0.00 H new ATOM 0 HB ILE A 30 36.172 30.355 14.979 1.00 0.00 H new ATOM 0 HG12 ILE A 30 34.105 32.185 13.662 1.00 0.00 H new ATOM 0 HG13 ILE A 30 34.775 30.786 12.845 1.00 0.00 H new ATOM 0 HG21 ILE A 30 34.779 31.749 16.480 1.00 0.00 H new ATOM 0 HG22 ILE A 30 36.468 32.309 16.466 1.00 0.00 H new ATOM 0 HG23 ILE A 30 35.229 33.198 15.550 1.00 0.00 H new ATOM 0 HD11 ILE A 30 32.648 30.201 13.982 1.00 0.00 H new ATOM 0 HD12 ILE A 30 34.009 29.314 14.709 1.00 0.00 H new ATOM 0 HD13 ILE A 30 33.328 30.733 15.538 1.00 0.00 H new ATOM 490 N GLN A 31 38.967 31.580 15.070 1.00 0.00 N ATOM 491 CA GLN A 31 40.092 31.962 15.920 1.00 0.00 C ATOM 492 C GLN A 31 40.994 32.954 15.197 1.00 0.00 C ATOM 493 O GLN A 31 41.197 34.078 15.655 1.00 0.00 O ATOM 494 CB GLN A 31 40.906 30.721 16.305 1.00 0.00 C ATOM 495 CG GLN A 31 42.002 31.115 17.300 1.00 0.00 C ATOM 496 CD GLN A 31 42.792 29.881 17.725 1.00 0.00 C ATOM 497 OE1 GLN A 31 42.917 28.927 16.958 1.00 0.00 O ATOM 498 NE2 GLN A 31 43.336 29.843 18.911 1.00 0.00 N ATOM 0 H GLN A 31 38.932 30.590 14.827 1.00 0.00 H new ATOM 0 HA GLN A 31 39.697 32.431 16.821 1.00 0.00 H new ATOM 0 HB2 GLN A 31 40.253 29.968 16.747 1.00 0.00 H new ATOM 0 HB3 GLN A 31 41.351 30.275 15.416 1.00 0.00 H new ATOM 0 HG2 GLN A 31 42.671 31.846 16.846 1.00 0.00 H new ATOM 0 HG3 GLN A 31 41.557 31.590 18.174 1.00 0.00 H new ATOM 0 HE21 GLN A 31 43.231 30.635 19.546 1.00 0.00 H new ATOM 0 HE22 GLN A 31 43.866 29.022 19.203 1.00 0.00 H new ATOM 507 N ASP A 32 41.544 32.514 14.080 1.00 0.00 N ATOM 508 CA ASP A 32 42.447 33.350 13.299 1.00 0.00 C ATOM 509 C ASP A 32 41.841 34.728 13.008 1.00 0.00 C ATOM 510 O ASP A 32 42.554 35.731 13.005 1.00 0.00 O ATOM 511 CB ASP A 32 42.800 32.649 11.985 1.00 0.00 C ATOM 512 CG ASP A 32 43.687 31.437 12.261 1.00 0.00 C ATOM 513 OD1 ASP A 32 44.447 31.490 13.214 1.00 0.00 O ATOM 514 OD2 ASP A 32 43.592 30.475 11.517 1.00 0.00 O ATOM 0 H ASP A 32 41.384 31.585 13.691 1.00 0.00 H new ATOM 0 HA ASP A 32 43.350 33.503 13.889 1.00 0.00 H new ATOM 0 HB2 ASP A 32 41.889 32.335 11.475 1.00 0.00 H new ATOM 0 HB3 ASP A 32 43.315 33.343 11.320 1.00 0.00 H new ATOM 519 N LYS A 33 40.536 34.777 12.734 1.00 0.00 N ATOM 520 CA LYS A 33 39.882 36.049 12.412 1.00 0.00 C ATOM 521 C LYS A 33 39.542 36.896 13.648 1.00 0.00 C ATOM 522 O LYS A 33 39.768 38.105 13.648 1.00 0.00 O ATOM 523 CB LYS A 33 38.594 35.796 11.632 1.00 0.00 C ATOM 524 CG LYS A 33 38.892 34.987 10.367 1.00 0.00 C ATOM 525 CD LYS A 33 37.570 34.536 9.738 1.00 0.00 C ATOM 526 CE LYS A 33 37.848 33.742 8.459 1.00 0.00 C ATOM 527 NZ LYS A 33 38.365 34.659 7.405 1.00 0.00 N ATOM 0 H LYS A 33 39.918 33.965 12.728 1.00 0.00 H new ATOM 0 HA LYS A 33 40.602 36.610 11.815 1.00 0.00 H new ATOM 0 HB2 LYS A 33 37.881 35.258 12.257 1.00 0.00 H new ATOM 0 HB3 LYS A 33 38.130 36.745 11.364 1.00 0.00 H new ATOM 0 HG2 LYS A 33 39.459 35.592 9.659 1.00 0.00 H new ATOM 0 HG3 LYS A 33 39.507 34.121 10.611 1.00 0.00 H new ATOM 0 HD2 LYS A 33 37.012 33.921 10.444 1.00 0.00 H new ATOM 0 HD3 LYS A 33 36.950 35.403 9.511 1.00 0.00 H new ATOM 0 HE2 LYS A 33 38.575 32.954 8.658 1.00 0.00 H new ATOM 0 HE3 LYS A 33 36.935 33.255 8.116 1.00 0.00 H new ATOM 0 HZ1 LYS A 33 38.314 34.188 6.479 1.00 0.00 H new ATOM 0 HZ2 LYS A 33 37.789 35.525 7.385 1.00 0.00 H new ATOM 0 HZ3 LYS A 33 39.354 34.905 7.614 1.00 0.00 H new ATOM 541 N GLU A 34 38.951 36.281 14.681 1.00 0.00 N ATOM 542 CA GLU A 34 38.536 37.034 15.879 1.00 0.00 C ATOM 543 C GLU A 34 39.483 36.844 17.065 1.00 0.00 C ATOM 544 O GLU A 34 39.267 37.431 18.125 1.00 0.00 O ATOM 545 CB GLU A 34 37.129 36.595 16.300 1.00 0.00 C ATOM 546 CG GLU A 34 36.166 36.729 15.121 1.00 0.00 C ATOM 547 CD GLU A 34 36.051 38.190 14.704 1.00 0.00 C ATOM 548 OE1 GLU A 34 36.323 39.044 15.531 1.00 0.00 O ATOM 549 OE2 GLU A 34 35.689 38.434 13.564 1.00 0.00 O ATOM 0 H GLU A 34 38.751 35.281 14.716 1.00 0.00 H new ATOM 0 HA GLU A 34 38.556 38.089 15.607 1.00 0.00 H new ATOM 0 HB2 GLU A 34 37.150 35.562 16.648 1.00 0.00 H new ATOM 0 HB3 GLU A 34 36.783 37.205 17.134 1.00 0.00 H new ATOM 0 HG2 GLU A 34 36.520 36.130 14.282 1.00 0.00 H new ATOM 0 HG3 GLU A 34 35.185 36.343 15.397 1.00 0.00 H new ATOM 556 N GLY A 35 40.549 36.078 16.889 1.00 0.00 N ATOM 557 CA GLY A 35 41.516 35.892 17.967 1.00 0.00 C ATOM 558 C GLY A 35 40.866 35.404 19.264 1.00 0.00 C ATOM 559 O GLY A 35 41.398 35.649 20.344 1.00 0.00 O ATOM 0 H GLY A 35 40.767 35.581 16.025 1.00 0.00 H new ATOM 0 HA2 GLY A 35 42.272 35.173 17.651 1.00 0.00 H new ATOM 0 HA3 GLY A 35 42.030 36.834 18.155 1.00 0.00 H new ATOM 563 N ILE A 36 39.723 34.723 19.164 1.00 0.00 N ATOM 564 CA ILE A 36 39.029 34.216 20.342 1.00 0.00 C ATOM 565 C ILE A 36 39.513 32.797 20.692 1.00 0.00 C ATOM 566 O ILE A 36 39.233 31.858 19.946 1.00 0.00 O ATOM 567 CB ILE A 36 37.536 34.177 20.055 1.00 0.00 C ATOM 568 CG1 ILE A 36 37.084 35.589 19.695 1.00 0.00 C ATOM 569 CG2 ILE A 36 36.789 33.693 21.298 1.00 0.00 C ATOM 570 CD1 ILE A 36 35.610 35.578 19.318 1.00 0.00 C ATOM 0 H ILE A 36 39.261 34.512 18.279 1.00 0.00 H new ATOM 0 HA ILE A 36 39.239 34.874 21.186 1.00 0.00 H new ATOM 0 HB ILE A 36 37.324 33.495 19.232 1.00 0.00 H new ATOM 0 HG12 ILE A 36 37.248 36.259 20.539 1.00 0.00 H new ATOM 0 HG13 ILE A 36 37.678 35.970 18.865 1.00 0.00 H new ATOM 0 HG21 ILE A 36 35.719 33.665 21.092 1.00 0.00 H new ATOM 0 HG22 ILE A 36 37.133 32.693 21.563 1.00 0.00 H new ATOM 0 HG23 ILE A 36 36.981 34.375 22.126 1.00 0.00 H new ATOM 0 HD11 ILE A 36 35.292 36.589 19.062 1.00 0.00 H new ATOM 0 HD12 ILE A 36 35.459 34.922 18.461 1.00 0.00 H new ATOM 0 HD13 ILE A 36 35.022 35.215 20.161 1.00 0.00 H new ATOM 582 N PRO A 37 40.219 32.601 21.793 1.00 0.00 N ATOM 583 CA PRO A 37 40.708 31.244 22.186 1.00 0.00 C ATOM 584 C PRO A 37 39.583 30.187 22.140 1.00 0.00 C ATOM 585 O PRO A 37 38.545 30.354 22.795 1.00 0.00 O ATOM 586 CB PRO A 37 41.214 31.445 23.621 1.00 0.00 C ATOM 587 CG PRO A 37 41.625 32.876 23.674 1.00 0.00 C ATOM 588 CD PRO A 37 40.640 33.622 22.774 1.00 0.00 C ATOM 0 HA PRO A 37 41.475 30.870 21.508 1.00 0.00 H new ATOM 0 HB2 PRO A 37 40.434 31.229 24.351 1.00 0.00 H new ATOM 0 HB3 PRO A 37 42.051 30.783 23.843 1.00 0.00 H new ATOM 0 HG2 PRO A 37 41.588 33.256 24.695 1.00 0.00 H new ATOM 0 HG3 PRO A 37 42.649 33.003 23.323 1.00 0.00 H new ATOM 0 HD2 PRO A 37 39.792 34.006 23.341 1.00 0.00 H new ATOM 0 HD3 PRO A 37 41.111 34.476 22.286 1.00 0.00 H new ATOM 596 N PRO A 38 39.757 29.114 21.395 1.00 0.00 N ATOM 597 CA PRO A 38 38.733 28.031 21.295 1.00 0.00 C ATOM 598 C PRO A 38 38.139 27.649 22.653 1.00 0.00 C ATOM 599 O PRO A 38 36.954 27.332 22.753 1.00 0.00 O ATOM 600 CB PRO A 38 39.508 26.865 20.683 1.00 0.00 C ATOM 601 CG PRO A 38 40.544 27.518 19.834 1.00 0.00 C ATOM 602 CD PRO A 38 40.930 28.812 20.550 1.00 0.00 C ATOM 0 HA PRO A 38 37.872 28.339 20.702 1.00 0.00 H new ATOM 0 HB2 PRO A 38 39.960 26.240 21.453 1.00 0.00 H new ATOM 0 HB3 PRO A 38 38.857 26.221 20.092 1.00 0.00 H new ATOM 0 HG2 PRO A 38 41.411 26.869 19.709 1.00 0.00 H new ATOM 0 HG3 PRO A 38 40.156 27.726 18.837 1.00 0.00 H new ATOM 0 HD2 PRO A 38 41.831 28.683 21.149 1.00 0.00 H new ATOM 0 HD3 PRO A 38 41.130 29.616 19.842 1.00 0.00 H new ATOM 610 N ASP A 39 38.964 27.681 23.696 1.00 0.00 N ATOM 611 CA ASP A 39 38.496 27.332 25.035 1.00 0.00 C ATOM 612 C ASP A 39 37.559 28.404 25.581 1.00 0.00 C ATOM 613 O ASP A 39 36.684 28.118 26.399 1.00 0.00 O ATOM 614 CB ASP A 39 39.686 27.164 25.982 1.00 0.00 C ATOM 615 CG ASP A 39 39.209 26.616 27.324 1.00 0.00 C ATOM 616 OD1 ASP A 39 38.876 27.416 28.183 1.00 0.00 O ATOM 617 OD2 ASP A 39 39.183 25.405 27.472 1.00 0.00 O ATOM 0 H ASP A 39 39.949 27.942 23.642 1.00 0.00 H new ATOM 0 HA ASP A 39 37.949 26.391 24.967 1.00 0.00 H new ATOM 0 HB2 ASP A 39 40.419 26.487 25.543 1.00 0.00 H new ATOM 0 HB3 ASP A 39 40.184 28.122 26.127 1.00 0.00 H new ATOM 622 N GLN A 40 37.759 29.638 25.139 1.00 0.00 N ATOM 623 CA GLN A 40 36.936 30.750 25.613 1.00 0.00 C ATOM 624 C GLN A 40 35.581 30.776 24.913 1.00 0.00 C ATOM 625 O GLN A 40 34.625 31.359 25.432 1.00 0.00 O ATOM 626 CB GLN A 40 37.650 32.081 25.362 1.00 0.00 C ATOM 627 CG GLN A 40 38.793 32.242 26.365 1.00 0.00 C ATOM 628 CD GLN A 40 38.233 32.567 27.747 1.00 0.00 C ATOM 629 OE1 GLN A 40 38.365 31.768 28.674 1.00 0.00 O ATOM 630 NE2 GLN A 40 37.613 33.699 27.941 1.00 0.00 N ATOM 0 H GLN A 40 38.475 29.896 24.460 1.00 0.00 H new ATOM 0 HA GLN A 40 36.777 30.608 26.682 1.00 0.00 H new ATOM 0 HB2 GLN A 40 38.038 32.112 24.344 1.00 0.00 H new ATOM 0 HB3 GLN A 40 36.946 32.908 25.460 1.00 0.00 H new ATOM 0 HG2 GLN A 40 39.381 31.326 26.408 1.00 0.00 H new ATOM 0 HG3 GLN A 40 39.464 33.037 26.039 1.00 0.00 H new ATOM 0 HE21 GLN A 40 37.505 34.360 27.171 1.00 0.00 H new ATOM 0 HE22 GLN A 40 37.237 33.923 28.862 1.00 0.00 H new ATOM 639 N GLN A 41 35.492 30.152 23.734 1.00 0.00 N ATOM 640 CA GLN A 41 34.240 30.126 22.978 1.00 0.00 C ATOM 641 C GLN A 41 33.664 28.716 22.879 1.00 0.00 C ATOM 642 O GLN A 41 34.395 27.725 22.887 1.00 0.00 O ATOM 643 CB GLN A 41 34.485 30.665 21.572 1.00 0.00 C ATOM 644 CG GLN A 41 35.646 29.910 20.926 1.00 0.00 C ATOM 645 CD GLN A 41 35.922 30.471 19.534 1.00 0.00 C ATOM 646 OE1 GLN A 41 35.762 31.670 19.304 1.00 0.00 O ATOM 647 NE2 GLN A 41 36.330 29.671 18.586 1.00 0.00 N ATOM 0 H GLN A 41 36.267 29.662 23.287 1.00 0.00 H new ATOM 0 HA GLN A 41 33.519 30.749 23.508 1.00 0.00 H new ATOM 0 HB2 GLN A 41 33.585 30.554 20.967 1.00 0.00 H new ATOM 0 HB3 GLN A 41 34.710 31.731 21.615 1.00 0.00 H new ATOM 0 HG2 GLN A 41 36.538 29.998 21.546 1.00 0.00 H new ATOM 0 HG3 GLN A 41 35.408 28.848 20.859 1.00 0.00 H new ATOM 0 HE21 GLN A 41 36.462 28.678 18.778 1.00 0.00 H new ATOM 0 HE22 GLN A 41 36.517 30.039 17.653 1.00 0.00 H new ATOM 656 N ARG A 42 32.336 28.652 22.766 1.00 0.00 N ATOM 657 CA ARG A 42 31.612 27.390 22.638 1.00 0.00 C ATOM 658 C ARG A 42 30.636 27.531 21.478 1.00 0.00 C ATOM 659 O ARG A 42 29.937 28.540 21.380 1.00 0.00 O ATOM 660 CB ARG A 42 30.853 27.080 23.941 1.00 0.00 C ATOM 661 CG ARG A 42 30.779 25.555 24.170 1.00 0.00 C ATOM 662 CD ARG A 42 30.552 25.266 25.651 1.00 0.00 C ATOM 663 NE ARG A 42 30.584 23.827 25.898 1.00 0.00 N ATOM 664 CZ ARG A 42 30.734 23.339 27.126 1.00 0.00 C ATOM 665 NH1 ARG A 42 30.749 22.048 27.319 1.00 0.00 N ATOM 666 NH2 ARG A 42 30.869 24.151 28.140 1.00 0.00 N ATOM 0 H ARG A 42 31.734 29.475 22.761 1.00 0.00 H new ATOM 0 HA ARG A 42 32.305 26.570 22.451 1.00 0.00 H new ATOM 0 HB2 ARG A 42 31.354 27.557 24.784 1.00 0.00 H new ATOM 0 HB3 ARG A 42 29.847 27.496 23.891 1.00 0.00 H new ATOM 0 HG2 ARG A 42 29.969 25.128 23.578 1.00 0.00 H new ATOM 0 HG3 ARG A 42 31.702 25.082 23.835 1.00 0.00 H new ATOM 0 HD2 ARG A 42 31.319 25.761 26.247 1.00 0.00 H new ATOM 0 HD3 ARG A 42 29.591 25.674 25.965 1.00 0.00 H new ATOM 0 HE ARG A 42 30.489 23.183 25.113 1.00 0.00 H new ATOM 0 HH11 ARG A 42 30.646 21.413 26.528 1.00 0.00 H new ATOM 0 HH12 ARG A 42 30.864 21.674 28.261 1.00 0.00 H new ATOM 0 HH21 ARG A 42 30.859 25.160 27.990 1.00 0.00 H new ATOM 0 HH22 ARG A 42 30.984 23.776 29.082 1.00 0.00 H new ATOM 680 N LEU A 43 30.592 26.546 20.592 1.00 0.00 N ATOM 681 CA LEU A 43 29.697 26.622 19.441 1.00 0.00 C ATOM 682 C LEU A 43 28.327 26.046 19.754 1.00 0.00 C ATOM 683 O LEU A 43 28.184 24.852 20.037 1.00 0.00 O ATOM 684 CB LEU A 43 30.295 25.857 18.266 1.00 0.00 C ATOM 685 CG LEU A 43 31.758 26.247 18.038 1.00 0.00 C ATOM 686 CD1 LEU A 43 32.172 25.796 16.641 1.00 0.00 C ATOM 687 CD2 LEU A 43 31.938 27.762 18.151 1.00 0.00 C ATOM 0 H LEU A 43 31.155 25.697 20.644 1.00 0.00 H new ATOM 0 HA LEU A 43 29.580 27.676 19.188 1.00 0.00 H new ATOM 0 HB2 LEU A 43 30.227 24.785 18.454 1.00 0.00 H new ATOM 0 HB3 LEU A 43 29.717 26.060 17.364 1.00 0.00 H new ATOM 0 HG LEU A 43 32.377 25.766 18.796 1.00 0.00 H new ATOM 0 HD11 LEU A 43 33.213 26.067 16.465 1.00 0.00 H new ATOM 0 HD12 LEU A 43 32.060 24.715 16.560 1.00 0.00 H new ATOM 0 HD13 LEU A 43 31.539 26.283 15.899 1.00 0.00 H new ATOM 0 HD21 LEU A 43 32.985 28.017 17.986 1.00 0.00 H new ATOM 0 HD22 LEU A 43 31.321 28.259 17.402 1.00 0.00 H new ATOM 0 HD23 LEU A 43 31.637 28.091 19.146 1.00 0.00 H new ATOM 699 N ILE A 44 27.317 26.913 19.697 1.00 0.00 N ATOM 700 CA ILE A 44 25.935 26.511 19.973 1.00 0.00 C ATOM 701 C ILE A 44 25.066 26.582 18.713 1.00 0.00 C ATOM 702 O ILE A 44 24.961 27.633 18.071 1.00 0.00 O ATOM 703 CB ILE A 44 25.326 27.434 21.036 1.00 0.00 C ATOM 704 CG1 ILE A 44 26.257 27.530 22.255 1.00 0.00 C ATOM 705 CG2 ILE A 44 23.963 26.892 21.474 1.00 0.00 C ATOM 706 CD1 ILE A 44 26.623 26.132 22.767 1.00 0.00 C ATOM 0 H ILE A 44 27.428 27.899 19.462 1.00 0.00 H new ATOM 0 HA ILE A 44 25.959 25.481 20.328 1.00 0.00 H new ATOM 0 HB ILE A 44 25.201 28.428 20.606 1.00 0.00 H new ATOM 0 HG12 ILE A 44 27.163 28.073 21.985 1.00 0.00 H new ATOM 0 HG13 ILE A 44 25.769 28.097 23.048 1.00 0.00 H new ATOM 0 HG21 ILE A 44 23.535 27.551 22.229 1.00 0.00 H new ATOM 0 HG22 ILE A 44 23.296 26.845 20.613 1.00 0.00 H new ATOM 0 HG23 ILE A 44 24.086 25.893 21.892 1.00 0.00 H new ATOM 0 HD11 ILE A 44 27.283 26.222 23.630 1.00 0.00 H new ATOM 0 HD12 ILE A 44 25.716 25.602 23.057 1.00 0.00 H new ATOM 0 HD13 ILE A 44 27.131 25.577 21.978 1.00 0.00 H new ATOM 718 N PHE A 45 24.432 25.456 18.378 1.00 0.00 N ATOM 719 CA PHE A 45 23.548 25.379 17.216 1.00 0.00 C ATOM 720 C PHE A 45 22.349 24.495 17.548 1.00 0.00 C ATOM 721 O PHE A 45 22.502 23.306 17.824 1.00 0.00 O ATOM 722 CB PHE A 45 24.296 24.788 16.023 1.00 0.00 C ATOM 723 CG PHE A 45 23.389 24.742 14.818 1.00 0.00 C ATOM 724 CD1 PHE A 45 23.438 25.762 13.860 1.00 0.00 C ATOM 725 CD2 PHE A 45 22.509 23.669 14.654 1.00 0.00 C ATOM 726 CE1 PHE A 45 22.605 25.707 12.736 1.00 0.00 C ATOM 727 CE2 PHE A 45 21.673 23.613 13.531 1.00 0.00 C ATOM 728 CZ PHE A 45 21.722 24.632 12.571 1.00 0.00 C ATOM 0 H PHE A 45 24.516 24.583 18.898 1.00 0.00 H new ATOM 0 HA PHE A 45 23.209 26.383 16.962 1.00 0.00 H new ATOM 0 HB2 PHE A 45 25.178 25.389 15.802 1.00 0.00 H new ATOM 0 HB3 PHE A 45 24.646 23.784 16.264 1.00 0.00 H new ATOM 0 HD1 PHE A 45 24.118 26.591 13.988 1.00 0.00 H new ATOM 0 HD2 PHE A 45 22.473 22.882 15.393 1.00 0.00 H new ATOM 0 HE1 PHE A 45 22.643 26.493 11.996 1.00 0.00 H new ATOM 0 HE2 PHE A 45 20.991 22.785 13.406 1.00 0.00 H new ATOM 0 HZ PHE A 45 21.079 24.589 11.704 1.00 0.00 H new ATOM 738 N ALA A 46 21.158 25.083 17.529 1.00 0.00 N ATOM 739 CA ALA A 46 19.943 24.335 17.836 1.00 0.00 C ATOM 740 C ALA A 46 20.014 23.735 19.242 1.00 0.00 C ATOM 741 O ALA A 46 19.529 22.629 19.478 1.00 0.00 O ATOM 742 CB ALA A 46 19.751 23.216 16.810 1.00 0.00 C ATOM 0 H ALA A 46 21.007 26.067 17.306 1.00 0.00 H new ATOM 0 HA ALA A 46 19.097 25.021 17.793 1.00 0.00 H new ATOM 0 HB1 ALA A 46 18.843 22.660 17.043 1.00 0.00 H new ATOM 0 HB2 ALA A 46 19.666 23.647 15.813 1.00 0.00 H new ATOM 0 HB3 ALA A 46 20.607 22.542 16.842 1.00 0.00 H new ATOM 748 N GLY A 47 20.604 24.479 20.171 1.00 0.00 N ATOM 749 CA GLY A 47 20.719 24.021 21.555 1.00 0.00 C ATOM 750 C GLY A 47 21.632 22.799 21.684 1.00 0.00 C ATOM 751 O GLY A 47 21.594 22.099 22.696 1.00 0.00 O ATOM 0 H GLY A 47 21.009 25.398 19.994 1.00 0.00 H new ATOM 0 HA2 GLY A 47 21.108 24.830 22.173 1.00 0.00 H new ATOM 0 HA3 GLY A 47 19.729 23.775 21.938 1.00 0.00 H new ATOM 755 N LYS A 48 22.460 22.548 20.666 1.00 0.00 N ATOM 756 CA LYS A 48 23.386 21.405 20.692 1.00 0.00 C ATOM 757 C LYS A 48 24.820 21.873 20.471 1.00 0.00 C ATOM 758 O LYS A 48 25.105 22.564 19.494 1.00 0.00 O ATOM 759 CB LYS A 48 23.024 20.406 19.600 1.00 0.00 C ATOM 760 CG LYS A 48 21.581 19.926 19.781 1.00 0.00 C ATOM 761 CD LYS A 48 21.287 18.798 18.789 1.00 0.00 C ATOM 762 CE LYS A 48 19.837 18.342 18.945 1.00 0.00 C ATOM 763 NZ LYS A 48 18.930 19.502 18.717 1.00 0.00 N ATOM 0 H LYS A 48 22.511 23.114 19.819 1.00 0.00 H new ATOM 0 HA LYS A 48 23.304 20.929 21.669 1.00 0.00 H new ATOM 0 HB2 LYS A 48 23.141 20.869 18.620 1.00 0.00 H new ATOM 0 HB3 LYS A 48 23.705 19.556 19.634 1.00 0.00 H new ATOM 0 HG2 LYS A 48 21.429 19.575 20.802 1.00 0.00 H new ATOM 0 HG3 LYS A 48 20.889 20.753 19.622 1.00 0.00 H new ATOM 0 HD2 LYS A 48 21.463 19.142 17.770 1.00 0.00 H new ATOM 0 HD3 LYS A 48 21.963 17.961 18.964 1.00 0.00 H new ATOM 0 HE2 LYS A 48 19.615 17.547 18.234 1.00 0.00 H new ATOM 0 HE3 LYS A 48 19.678 17.931 19.942 1.00 0.00 H new ATOM 0 HZ1 LYS A 48 17.977 19.157 18.486 1.00 0.00 H new ATOM 0 HZ2 LYS A 48 18.888 20.084 19.578 1.00 0.00 H new ATOM 0 HZ3 LYS A 48 19.291 20.075 17.928 1.00 0.00 H new ATOM 777 N GLN A 49 25.732 21.472 21.356 1.00 0.00 N ATOM 778 CA GLN A 49 27.128 21.844 21.203 1.00 0.00 C ATOM 779 C GLN A 49 27.774 21.007 20.111 1.00 0.00 C ATOM 780 O GLN A 49 27.649 19.781 20.100 1.00 0.00 O ATOM 781 CB GLN A 49 27.882 21.644 22.507 1.00 0.00 C ATOM 782 CG GLN A 49 27.421 22.682 23.528 1.00 0.00 C ATOM 783 CD GLN A 49 28.038 22.386 24.891 1.00 0.00 C ATOM 784 OE1 GLN A 49 28.169 23.350 25.759 1.00 0.00 O flip ATOM 785 NE2 GLN A 49 28.410 21.246 25.172 1.00 0.00 N flip ATOM 0 H GLN A 49 25.528 20.898 22.174 1.00 0.00 H new ATOM 0 HA GLN A 49 27.173 22.898 20.928 1.00 0.00 H new ATOM 0 HB2 GLN A 49 27.706 20.639 22.890 1.00 0.00 H new ATOM 0 HB3 GLN A 49 28.955 21.737 22.337 1.00 0.00 H new ATOM 0 HG2 GLN A 49 27.709 23.680 23.199 1.00 0.00 H new ATOM 0 HG3 GLN A 49 26.334 22.672 23.602 1.00 0.00 H new ATOM 0 HE21 GLN A 49 28.306 20.493 24.491 1.00 0.00 H new ATOM 0 HE22 GLN A 49 28.822 21.054 26.085 1.00 0.00 H new ATOM 794 N LEU A 50 28.437 21.668 19.178 1.00 0.00 N ATOM 795 CA LEU A 50 29.066 20.961 18.070 1.00 0.00 C ATOM 796 C LEU A 50 30.242 20.124 18.562 1.00 0.00 C ATOM 797 O LEU A 50 31.043 20.575 19.383 1.00 0.00 O ATOM 798 CB LEU A 50 29.528 21.961 17.011 1.00 0.00 C ATOM 799 CG LEU A 50 28.309 22.542 16.279 1.00 0.00 C ATOM 800 CD1 LEU A 50 27.466 23.393 17.238 1.00 0.00 C ATOM 801 CD2 LEU A 50 28.783 23.417 15.118 1.00 0.00 C ATOM 0 H LEU A 50 28.555 22.681 19.162 1.00 0.00 H new ATOM 0 HA LEU A 50 28.334 20.287 17.625 1.00 0.00 H new ATOM 0 HB2 LEU A 50 30.099 22.763 17.479 1.00 0.00 H new ATOM 0 HB3 LEU A 50 30.192 21.470 16.299 1.00 0.00 H new ATOM 0 HG LEU A 50 27.700 21.720 15.903 1.00 0.00 H new ATOM 0 HD11 LEU A 50 26.606 23.798 16.705 1.00 0.00 H new ATOM 0 HD12 LEU A 50 27.121 22.774 18.066 1.00 0.00 H new ATOM 0 HD13 LEU A 50 28.071 24.213 17.625 1.00 0.00 H new ATOM 0 HD21 LEU A 50 27.919 23.830 14.597 1.00 0.00 H new ATOM 0 HD22 LEU A 50 29.398 24.231 15.503 1.00 0.00 H new ATOM 0 HD23 LEU A 50 29.370 22.815 14.425 1.00 0.00 H new ATOM 813 N GLU A 51 30.326 18.893 18.058 1.00 0.00 N ATOM 814 CA GLU A 51 31.385 17.974 18.439 1.00 0.00 C ATOM 815 C GLU A 51 32.724 18.371 17.815 1.00 0.00 C ATOM 816 O GLU A 51 32.812 18.625 16.610 1.00 0.00 O ATOM 817 CB GLU A 51 31.004 16.556 18.002 1.00 0.00 C ATOM 818 CG GLU A 51 31.767 15.535 18.837 1.00 0.00 C ATOM 819 CD GLU A 51 31.588 14.143 18.245 1.00 0.00 C ATOM 820 OE1 GLU A 51 30.466 13.811 17.898 1.00 0.00 O ATOM 821 OE2 GLU A 51 32.572 13.430 18.147 1.00 0.00 O ATOM 0 H GLU A 51 29.666 18.512 17.380 1.00 0.00 H new ATOM 0 HA GLU A 51 31.501 18.012 19.522 1.00 0.00 H new ATOM 0 HB2 GLU A 51 29.931 16.406 18.119 1.00 0.00 H new ATOM 0 HB3 GLU A 51 31.232 16.418 16.945 1.00 0.00 H new ATOM 0 HG2 GLU A 51 32.825 15.794 18.866 1.00 0.00 H new ATOM 0 HG3 GLU A 51 31.407 15.551 19.866 1.00 0.00 H new ATOM 828 N ASP A 52 33.756 18.419 18.647 1.00 0.00 N ATOM 829 CA ASP A 52 35.087 18.791 18.201 1.00 0.00 C ATOM 830 C ASP A 52 35.706 17.767 17.239 1.00 0.00 C ATOM 831 O ASP A 52 36.920 17.778 17.038 1.00 0.00 O ATOM 832 CB ASP A 52 36.009 18.950 19.413 1.00 0.00 C ATOM 833 CG ASP A 52 35.336 19.814 20.471 1.00 0.00 C ATOM 834 OD1 ASP A 52 34.812 20.855 20.111 1.00 0.00 O ATOM 835 OD2 ASP A 52 35.355 19.423 21.627 1.00 0.00 O ATOM 0 H ASP A 52 33.693 18.203 19.642 1.00 0.00 H new ATOM 0 HA ASP A 52 34.985 19.731 17.659 1.00 0.00 H new ATOM 0 HB2 ASP A 52 36.248 17.971 19.829 1.00 0.00 H new ATOM 0 HB3 ASP A 52 36.951 19.404 19.106 1.00 0.00 H new ATOM 840 N GLY A 53 34.902 16.876 16.647 1.00 0.00 N ATOM 841 CA GLY A 53 35.472 15.876 15.729 1.00 0.00 C ATOM 842 C GLY A 53 34.505 15.428 14.628 1.00 0.00 C ATOM 843 O GLY A 53 34.765 14.428 13.956 1.00 0.00 O ATOM 0 H GLY A 53 33.892 16.823 16.778 1.00 0.00 H new ATOM 0 HA2 GLY A 53 36.368 16.289 15.267 1.00 0.00 H new ATOM 0 HA3 GLY A 53 35.783 15.004 16.304 1.00 0.00 H new ATOM 847 N ARG A 54 33.404 16.157 14.425 1.00 0.00 N ATOM 848 CA ARG A 54 32.433 15.789 13.374 1.00 0.00 C ATOM 849 C ARG A 54 32.516 16.746 12.183 1.00 0.00 C ATOM 850 O ARG A 54 33.263 17.719 12.201 1.00 0.00 O ATOM 851 CB ARG A 54 31.000 15.797 13.941 1.00 0.00 C ATOM 852 CG ARG A 54 30.729 14.491 14.713 1.00 0.00 C ATOM 853 CD ARG A 54 29.238 14.376 15.061 1.00 0.00 C ATOM 854 NE ARG A 54 28.898 15.289 16.145 1.00 0.00 N ATOM 855 CZ ARG A 54 27.747 15.178 16.802 1.00 0.00 C ATOM 856 NH1 ARG A 54 27.470 16.007 17.771 1.00 0.00 N ATOM 857 NH2 ARG A 54 26.893 14.246 16.475 1.00 0.00 N ATOM 0 H ARG A 54 33.160 16.991 14.959 1.00 0.00 H new ATOM 0 HA ARG A 54 32.682 14.785 13.031 1.00 0.00 H new ATOM 0 HB2 ARG A 54 30.867 16.654 14.602 1.00 0.00 H new ATOM 0 HB3 ARG A 54 30.280 15.905 13.130 1.00 0.00 H new ATOM 0 HG2 ARG A 54 31.036 13.635 14.112 1.00 0.00 H new ATOM 0 HG3 ARG A 54 31.325 14.470 15.625 1.00 0.00 H new ATOM 0 HD2 ARG A 54 28.634 14.603 14.182 1.00 0.00 H new ATOM 0 HD3 ARG A 54 29.004 13.352 15.352 1.00 0.00 H new ATOM 0 HE ARG A 54 29.554 16.026 16.404 1.00 0.00 H new ATOM 0 HH11 ARG A 54 28.135 16.738 18.023 1.00 0.00 H new ATOM 0 HH12 ARG A 54 26.588 15.924 18.277 1.00 0.00 H new ATOM 0 HH21 ARG A 54 27.108 13.601 15.714 1.00 0.00 H new ATOM 0 HH22 ARG A 54 26.011 14.163 16.980 1.00 0.00 H new ATOM 871 N THR A 55 31.733 16.440 11.146 1.00 0.00 N ATOM 872 CA THR A 55 31.692 17.261 9.934 1.00 0.00 C ATOM 873 C THR A 55 30.391 18.055 9.890 1.00 0.00 C ATOM 874 O THR A 55 29.344 17.589 10.363 1.00 0.00 O ATOM 875 CB THR A 55 31.790 16.369 8.691 1.00 0.00 C ATOM 876 OG1 THR A 55 30.775 15.375 8.745 1.00 0.00 O ATOM 877 CG2 THR A 55 33.165 15.699 8.648 1.00 0.00 C ATOM 0 H THR A 55 31.117 15.627 11.122 1.00 0.00 H new ATOM 0 HA THR A 55 32.536 17.950 9.947 1.00 0.00 H new ATOM 0 HB THR A 55 31.658 16.975 7.795 1.00 0.00 H new ATOM 0 HG1 THR A 55 30.834 14.804 7.951 1.00 0.00 H new ATOM 0 HG21 THR A 55 33.233 15.065 7.764 1.00 0.00 H new ATOM 0 HG22 THR A 55 33.941 16.463 8.607 1.00 0.00 H new ATOM 0 HG23 THR A 55 33.301 15.091 9.542 1.00 0.00 H new ATOM 885 N LEU A 56 30.436 19.242 9.297 1.00 0.00 N ATOM 886 CA LEU A 56 29.239 20.047 9.194 1.00 0.00 C ATOM 887 C LEU A 56 28.156 19.250 8.479 1.00 0.00 C ATOM 888 O LEU A 56 26.979 19.376 8.799 1.00 0.00 O ATOM 889 CB LEU A 56 29.538 21.346 8.441 1.00 0.00 C ATOM 890 CG LEU A 56 30.236 22.349 9.374 1.00 0.00 C ATOM 891 CD1 LEU A 56 31.605 21.805 9.799 1.00 0.00 C ATOM 892 CD2 LEU A 56 30.423 23.669 8.626 1.00 0.00 C ATOM 0 H LEU A 56 31.274 19.657 8.889 1.00 0.00 H new ATOM 0 HA LEU A 56 28.889 20.307 10.193 1.00 0.00 H new ATOM 0 HB2 LEU A 56 30.171 21.138 7.579 1.00 0.00 H new ATOM 0 HB3 LEU A 56 28.612 21.776 8.060 1.00 0.00 H new ATOM 0 HG LEU A 56 29.626 22.505 10.264 1.00 0.00 H new ATOM 0 HD11 LEU A 56 32.092 22.522 10.460 1.00 0.00 H new ATOM 0 HD12 LEU A 56 31.474 20.859 10.324 1.00 0.00 H new ATOM 0 HD13 LEU A 56 32.224 21.647 8.916 1.00 0.00 H new ATOM 0 HD21 LEU A 56 30.917 24.390 9.278 1.00 0.00 H new ATOM 0 HD22 LEU A 56 31.035 23.501 7.740 1.00 0.00 H new ATOM 0 HD23 LEU A 56 29.450 24.059 8.327 1.00 0.00 H new ATOM 904 N SER A 57 28.548 18.441 7.488 1.00 0.00 N ATOM 905 CA SER A 57 27.583 17.651 6.729 1.00 0.00 C ATOM 906 C SER A 57 26.603 16.939 7.651 1.00 0.00 C ATOM 907 O SER A 57 25.405 16.854 7.352 1.00 0.00 O ATOM 908 CB SER A 57 28.320 16.621 5.873 1.00 0.00 C ATOM 909 OG SER A 57 29.084 17.294 4.881 1.00 0.00 O ATOM 0 H SER A 57 29.518 18.319 7.198 1.00 0.00 H new ATOM 0 HA SER A 57 27.018 18.330 6.090 1.00 0.00 H new ATOM 0 HB2 SER A 57 28.972 16.011 6.498 1.00 0.00 H new ATOM 0 HB3 SER A 57 27.606 15.945 5.402 1.00 0.00 H new ATOM 0 HG SER A 57 29.774 17.839 5.314 1.00 0.00 H new ATOM 915 N ASP A 58 27.101 16.447 8.779 1.00 0.00 N ATOM 916 CA ASP A 58 26.237 15.773 9.735 1.00 0.00 C ATOM 917 C ASP A 58 25.231 16.779 10.269 1.00 0.00 C ATOM 918 O ASP A 58 24.054 16.471 10.480 1.00 0.00 O ATOM 919 CB ASP A 58 27.062 15.195 10.892 1.00 0.00 C ATOM 920 CG ASP A 58 27.885 14.002 10.414 1.00 0.00 C ATOM 921 OD1 ASP A 58 27.642 13.541 9.311 1.00 0.00 O ATOM 922 OD2 ASP A 58 28.746 13.565 11.160 1.00 0.00 O ATOM 0 H ASP A 58 28.083 16.501 9.050 1.00 0.00 H new ATOM 0 HA ASP A 58 25.720 14.950 9.242 1.00 0.00 H new ATOM 0 HB2 ASP A 58 27.723 15.963 11.295 1.00 0.00 H new ATOM 0 HB3 ASP A 58 26.400 14.887 11.701 1.00 0.00 H new ATOM 927 N TYR A 59 25.721 17.999 10.466 1.00 0.00 N ATOM 928 CA TYR A 59 24.890 19.088 10.968 1.00 0.00 C ATOM 929 C TYR A 59 24.059 19.726 9.845 1.00 0.00 C ATOM 930 O TYR A 59 23.164 20.527 10.114 1.00 0.00 O ATOM 931 CB TYR A 59 25.789 20.148 11.610 1.00 0.00 C ATOM 932 CG TYR A 59 26.310 19.644 12.941 1.00 0.00 C ATOM 933 CD1 TYR A 59 27.646 19.244 13.067 1.00 0.00 C ATOM 934 CD2 TYR A 59 25.455 19.580 14.049 1.00 0.00 C ATOM 935 CE1 TYR A 59 28.127 18.781 14.297 1.00 0.00 C ATOM 936 CE2 TYR A 59 25.937 19.115 15.279 1.00 0.00 C ATOM 937 CZ TYR A 59 27.272 18.716 15.403 1.00 0.00 C ATOM 938 OH TYR A 59 27.746 18.258 16.616 1.00 0.00 O ATOM 0 H TYR A 59 26.691 18.259 10.285 1.00 0.00 H new ATOM 0 HA TYR A 59 24.198 18.682 11.705 1.00 0.00 H new ATOM 0 HB2 TYR A 59 26.623 20.380 10.947 1.00 0.00 H new ATOM 0 HB3 TYR A 59 25.230 21.072 11.755 1.00 0.00 H new ATOM 0 HD1 TYR A 59 28.306 19.293 12.214 1.00 0.00 H new ATOM 0 HD2 TYR A 59 24.425 19.889 13.955 1.00 0.00 H new ATOM 0 HE1 TYR A 59 29.158 18.474 14.393 1.00 0.00 H new ATOM 0 HE2 TYR A 59 25.277 19.064 16.133 1.00 0.00 H new ATOM 0 HH TYR A 59 27.129 18.524 17.330 1.00 0.00 H new ATOM 948 N ASN A 60 24.347 19.370 8.591 1.00 0.00 N ATOM 949 CA ASN A 60 23.596 19.927 7.462 1.00 0.00 C ATOM 950 C ASN A 60 22.230 19.254 7.347 1.00 0.00 C ATOM 951 O ASN A 60 21.200 19.920 7.222 1.00 0.00 O ATOM 952 CB ASN A 60 24.368 19.741 6.151 1.00 0.00 C ATOM 953 CG ASN A 60 23.621 20.428 5.010 1.00 0.00 C ATOM 954 OD1 ASN A 60 22.392 20.370 4.948 1.00 0.00 O ATOM 955 ND2 ASN A 60 24.291 21.080 4.099 1.00 0.00 N ATOM 0 H ASN A 60 25.081 18.711 8.333 1.00 0.00 H new ATOM 0 HA ASN A 60 23.459 20.993 7.644 1.00 0.00 H new ATOM 0 HB2 ASN A 60 25.370 20.159 6.246 1.00 0.00 H new ATOM 0 HB3 ASN A 60 24.485 18.679 5.934 1.00 0.00 H new ATOM 0 HD21 ASN A 60 23.797 21.542 3.335 1.00 0.00 H new ATOM 0 HD22 ASN A 60 25.309 21.128 4.151 1.00 0.00 H new ATOM 962 N ILE A 61 22.218 17.927 7.405 1.00 0.00 N ATOM 963 CA ILE A 61 20.955 17.196 7.317 1.00 0.00 C ATOM 964 C ILE A 61 19.954 17.811 8.289 1.00 0.00 C ATOM 965 O ILE A 61 18.809 18.095 7.934 1.00 0.00 O ATOM 966 CB ILE A 61 21.181 15.721 7.656 1.00 0.00 C ATOM 967 CG1 ILE A 61 22.099 15.096 6.603 1.00 0.00 C ATOM 968 CG2 ILE A 61 19.841 14.985 7.668 1.00 0.00 C ATOM 969 CD1 ILE A 61 22.566 13.716 7.076 1.00 0.00 C ATOM 0 H ILE A 61 23.048 17.344 7.510 1.00 0.00 H new ATOM 0 HA ILE A 61 20.563 17.263 6.302 1.00 0.00 H new ATOM 0 HB ILE A 61 21.644 15.640 8.640 1.00 0.00 H new ATOM 0 HG12 ILE A 61 21.571 15.006 5.654 1.00 0.00 H new ATOM 0 HG13 ILE A 61 22.960 15.741 6.428 1.00 0.00 H new ATOM 0 HG21 ILE A 61 20.005 13.935 7.910 1.00 0.00 H new ATOM 0 HG22 ILE A 61 19.187 15.432 8.417 1.00 0.00 H new ATOM 0 HG23 ILE A 61 19.374 15.063 6.686 1.00 0.00 H new ATOM 0 HD11 ILE A 61 23.219 13.275 6.323 1.00 0.00 H new ATOM 0 HD12 ILE A 61 23.111 13.818 8.014 1.00 0.00 H new ATOM 0 HD13 ILE A 61 21.700 13.071 7.228 1.00 0.00 H new ATOM 981 N GLN A 62 20.412 18.013 9.520 1.00 0.00 N ATOM 982 CA GLN A 62 19.575 18.599 10.558 1.00 0.00 C ATOM 983 C GLN A 62 19.408 20.100 10.317 1.00 0.00 C ATOM 984 O GLN A 62 19.497 20.895 11.252 1.00 0.00 O ATOM 985 CB GLN A 62 20.227 18.362 11.928 1.00 0.00 C ATOM 986 CG GLN A 62 19.181 18.505 13.038 1.00 0.00 C ATOM 987 CD GLN A 62 18.209 17.329 12.993 1.00 0.00 C ATOM 988 OE1 GLN A 62 17.055 17.491 12.597 1.00 0.00 O ATOM 989 NE2 GLN A 62 18.611 16.147 13.374 1.00 0.00 N ATOM 0 H GLN A 62 21.358 17.779 9.822 1.00 0.00 H new ATOM 0 HA GLN A 62 18.592 18.130 10.534 1.00 0.00 H new ATOM 0 HB2 GLN A 62 20.671 17.367 11.961 1.00 0.00 H new ATOM 0 HB3 GLN A 62 21.035 19.077 12.084 1.00 0.00 H new ATOM 0 HG2 GLN A 62 19.673 18.544 14.010 1.00 0.00 H new ATOM 0 HG3 GLN A 62 18.637 19.442 12.918 1.00 0.00 H new ATOM 0 HE21 GLN A 62 19.568 16.015 13.702 1.00 0.00 H new ATOM 0 HE22 GLN A 62 17.968 15.356 13.344 1.00 0.00 H new ATOM 998 N LYS A 63 19.153 20.482 9.058 1.00 0.00 N ATOM 999 CA LYS A 63 18.958 21.891 8.714 1.00 0.00 C ATOM 1000 C LYS A 63 17.541 22.366 9.057 1.00 0.00 C ATOM 1001 O LYS A 63 16.812 22.832 8.178 1.00 0.00 O ATOM 1002 CB LYS A 63 19.237 22.124 7.219 1.00 0.00 C ATOM 1003 CG LYS A 63 18.473 21.093 6.377 1.00 0.00 C ATOM 1004 CD LYS A 63 18.374 21.573 4.926 1.00 0.00 C ATOM 1005 CE LYS A 63 17.577 20.555 4.107 1.00 0.00 C ATOM 1006 NZ LYS A 63 16.157 20.557 4.561 1.00 0.00 N ATOM 0 H LYS A 63 19.078 19.839 8.270 1.00 0.00 H new ATOM 0 HA LYS A 63 19.664 22.472 9.308 1.00 0.00 H new ATOM 0 HB2 LYS A 63 18.935 23.132 6.937 1.00 0.00 H new ATOM 0 HB3 LYS A 63 20.306 22.045 7.023 1.00 0.00 H new ATOM 0 HG2 LYS A 63 18.982 20.130 6.416 1.00 0.00 H new ATOM 0 HG3 LYS A 63 17.475 20.943 6.788 1.00 0.00 H new ATOM 0 HD2 LYS A 63 17.889 22.548 4.886 1.00 0.00 H new ATOM 0 HD3 LYS A 63 19.371 21.696 4.503 1.00 0.00 H new ATOM 0 HE2 LYS A 63 17.632 20.802 3.047 1.00 0.00 H new ATOM 0 HE3 LYS A 63 18.007 19.560 4.225 1.00 0.00 H new ATOM 0 HZ1 LYS A 63 15.559 20.114 3.834 1.00 0.00 H new ATOM 0 HZ2 LYS A 63 16.076 20.022 5.449 1.00 0.00 H new ATOM 0 HZ3 LYS A 63 15.844 21.536 4.717 1.00 0.00 H new ATOM 1020 N GLU A 64 17.159 22.252 10.328 1.00 0.00 N ATOM 1021 CA GLU A 64 15.825 22.676 10.758 1.00 0.00 C ATOM 1022 C GLU A 64 15.578 24.119 10.334 1.00 0.00 C ATOM 1023 O GLU A 64 14.455 24.497 10.002 1.00 0.00 O ATOM 1024 CB GLU A 64 15.727 22.587 12.293 1.00 0.00 C ATOM 1025 CG GLU A 64 15.748 21.125 12.736 1.00 0.00 C ATOM 1026 CD GLU A 64 15.483 21.027 14.237 1.00 0.00 C ATOM 1027 OE1 GLU A 64 14.996 21.996 14.798 1.00 0.00 O ATOM 1028 OE2 GLU A 64 15.769 19.985 14.804 1.00 0.00 O ATOM 0 H GLU A 64 17.746 21.874 11.072 1.00 0.00 H new ATOM 0 HA GLU A 64 15.081 22.026 10.297 1.00 0.00 H new ATOM 0 HB2 GLU A 64 16.557 23.126 12.750 1.00 0.00 H new ATOM 0 HB3 GLU A 64 14.809 23.066 12.635 1.00 0.00 H new ATOM 0 HG2 GLU A 64 14.994 20.560 12.188 1.00 0.00 H new ATOM 0 HG3 GLU A 64 16.714 20.679 12.500 1.00 0.00 H new ATOM 1049 N THR A 66 18.115 27.870 8.910 1.00 0.00 N ATOM 1050 CA THR A 66 19.168 28.273 7.975 1.00 0.00 C ATOM 1051 C THR A 66 20.520 28.159 8.662 1.00 0.00 C ATOM 1052 O THR A 66 20.591 27.794 9.837 1.00 0.00 O ATOM 1053 CB THR A 66 18.933 29.720 7.510 1.00 0.00 C ATOM 1054 OG1 THR A 66 18.375 30.475 8.578 1.00 0.00 O ATOM 1055 CG2 THR A 66 17.967 29.717 6.326 1.00 0.00 C ATOM 0 HA THR A 66 19.149 27.619 7.103 1.00 0.00 H new ATOM 0 HB THR A 66 19.880 30.167 7.207 1.00 0.00 H new ATOM 0 HG1 THR A 66 17.882 29.877 9.179 1.00 0.00 H new ATOM 0 HG21 THR A 66 17.797 30.741 5.993 1.00 0.00 H new ATOM 0 HG22 THR A 66 18.394 29.135 5.509 1.00 0.00 H new ATOM 0 HG23 THR A 66 17.019 29.273 6.631 1.00 0.00 H new ATOM 1063 N LEU A 67 21.597 28.448 7.935 1.00 0.00 N ATOM 1064 CA LEU A 67 22.940 28.343 8.496 1.00 0.00 C ATOM 1065 C LEU A 67 23.272 29.565 9.342 1.00 0.00 C ATOM 1066 O LEU A 67 23.684 30.607 8.828 1.00 0.00 O ATOM 1067 CB LEU A 67 23.963 28.228 7.354 1.00 0.00 C ATOM 1068 CG LEU A 67 23.463 27.228 6.296 1.00 0.00 C ATOM 1069 CD1 LEU A 67 24.454 27.160 5.127 1.00 0.00 C ATOM 1070 CD2 LEU A 67 23.328 25.835 6.922 1.00 0.00 C ATOM 0 H LEU A 67 21.566 28.755 6.963 1.00 0.00 H new ATOM 0 HA LEU A 67 22.981 27.457 9.130 1.00 0.00 H new ATOM 0 HB2 LEU A 67 24.121 29.205 6.897 1.00 0.00 H new ATOM 0 HB3 LEU A 67 24.925 27.901 7.749 1.00 0.00 H new ATOM 0 HG LEU A 67 22.492 27.561 5.929 1.00 0.00 H new ATOM 0 HD11 LEU A 67 24.092 26.450 4.384 1.00 0.00 H new ATOM 0 HD12 LEU A 67 24.548 28.146 4.672 1.00 0.00 H new ATOM 0 HD13 LEU A 67 25.428 26.836 5.494 1.00 0.00 H new ATOM 0 HD21 LEU A 67 22.974 25.131 6.169 1.00 0.00 H new ATOM 0 HD22 LEU A 67 24.298 25.509 7.296 1.00 0.00 H new ATOM 0 HD23 LEU A 67 22.616 25.874 7.746 1.00 0.00 H new ATOM 1082 N HIS A 68 23.110 29.409 10.649 1.00 0.00 N ATOM 1083 CA HIS A 68 23.396 30.475 11.600 1.00 0.00 C ATOM 1084 C HIS A 68 24.003 29.867 12.850 1.00 0.00 C ATOM 1085 O HIS A 68 23.422 28.971 13.464 1.00 0.00 O ATOM 1086 CB HIS A 68 22.110 31.221 11.960 1.00 0.00 C ATOM 1087 CG HIS A 68 21.161 30.280 12.649 1.00 0.00 C ATOM 1088 ND1 HIS A 68 20.915 29.001 12.174 1.00 0.00 N ATOM 1089 CD2 HIS A 68 20.389 30.415 13.778 1.00 0.00 C ATOM 1090 CE1 HIS A 68 20.028 28.424 13.005 1.00 0.00 C ATOM 1091 NE2 HIS A 68 19.674 29.242 13.999 1.00 0.00 N ATOM 0 H HIS A 68 22.779 28.545 11.078 1.00 0.00 H new ATOM 0 HA HIS A 68 24.095 31.183 11.154 1.00 0.00 H new ATOM 0 HB2 HIS A 68 22.337 32.066 12.610 1.00 0.00 H new ATOM 0 HB3 HIS A 68 21.648 31.626 11.060 1.00 0.00 H new ATOM 0 HD2 HIS A 68 20.344 31.297 14.399 1.00 0.00 H new ATOM 0 HE1 HIS A 68 19.648 27.420 12.883 1.00 0.00 H new ATOM 0 HE2 HIS A 68 19.020 29.049 14.757 1.00 0.00 H new ATOM 1100 N LEU A 69 25.185 30.348 13.214 1.00 0.00 N ATOM 1101 CA LEU A 69 25.896 29.847 14.382 1.00 0.00 C ATOM 1102 C LEU A 69 25.946 30.913 15.468 1.00 0.00 C ATOM 1103 O LEU A 69 26.255 32.073 15.194 1.00 0.00 O ATOM 1104 CB LEU A 69 27.314 29.452 13.955 1.00 0.00 C ATOM 1105 CG LEU A 69 28.157 29.045 15.167 1.00 0.00 C ATOM 1106 CD1 LEU A 69 27.444 27.941 15.957 1.00 0.00 C ATOM 1107 CD2 LEU A 69 29.518 28.528 14.681 1.00 0.00 C ATOM 0 H LEU A 69 25.674 31.090 12.713 1.00 0.00 H new ATOM 0 HA LEU A 69 25.377 28.978 14.788 1.00 0.00 H new ATOM 0 HB2 LEU A 69 27.267 28.626 13.246 1.00 0.00 H new ATOM 0 HB3 LEU A 69 27.789 30.287 13.441 1.00 0.00 H new ATOM 0 HG LEU A 69 28.298 29.910 15.815 1.00 0.00 H new ATOM 0 HD11 LEU A 69 28.052 27.659 16.817 1.00 0.00 H new ATOM 0 HD12 LEU A 69 26.476 28.307 16.301 1.00 0.00 H new ATOM 0 HD13 LEU A 69 27.297 27.072 15.316 1.00 0.00 H new ATOM 0 HD21 LEU A 69 30.124 28.236 15.539 1.00 0.00 H new ATOM 0 HD22 LEU A 69 29.369 27.665 14.032 1.00 0.00 H new ATOM 0 HD23 LEU A 69 30.029 29.315 14.127 1.00 0.00 H new ATOM 1119 N VAL A 70 25.666 30.507 16.703 1.00 0.00 N ATOM 1120 CA VAL A 70 25.709 31.428 17.833 1.00 0.00 C ATOM 1121 C VAL A 70 26.953 31.171 18.665 1.00 0.00 C ATOM 1122 O VAL A 70 27.183 30.052 19.127 1.00 0.00 O ATOM 1123 CB VAL A 70 24.453 31.263 18.696 1.00 0.00 C ATOM 1124 CG1 VAL A 70 24.604 32.052 20.000 1.00 0.00 C ATOM 1125 CG2 VAL A 70 23.243 31.791 17.922 1.00 0.00 C ATOM 0 H VAL A 70 25.408 29.550 16.946 1.00 0.00 H new ATOM 0 HA VAL A 70 25.742 32.450 17.455 1.00 0.00 H new ATOM 0 HB VAL A 70 24.314 30.208 18.933 1.00 0.00 H new ATOM 0 HG11 VAL A 70 23.707 31.928 20.606 1.00 0.00 H new ATOM 0 HG12 VAL A 70 25.468 31.682 20.551 1.00 0.00 H new ATOM 0 HG13 VAL A 70 24.745 33.108 19.772 1.00 0.00 H new ATOM 0 HG21 VAL A 70 22.345 31.677 18.529 1.00 0.00 H new ATOM 0 HG22 VAL A 70 23.392 32.845 17.689 1.00 0.00 H new ATOM 0 HG23 VAL A 70 23.129 31.227 16.996 1.00 0.00 H new ATOM 1135 N LEU A 71 27.756 32.214 18.853 1.00 0.00 N ATOM 1136 CA LEU A 71 28.985 32.090 19.637 1.00 0.00 C ATOM 1137 C LEU A 71 28.730 32.421 21.103 1.00 0.00 C ATOM 1138 O LEU A 71 28.255 33.506 21.436 1.00 0.00 O ATOM 1139 CB LEU A 71 30.067 33.028 19.070 1.00 0.00 C ATOM 1140 CG LEU A 71 30.929 32.281 18.037 1.00 0.00 C ATOM 1141 CD1 LEU A 71 30.034 31.557 17.018 1.00 0.00 C ATOM 1142 CD2 LEU A 71 31.830 33.281 17.310 1.00 0.00 C ATOM 0 H LEU A 71 27.582 33.147 18.478 1.00 0.00 H new ATOM 0 HA LEU A 71 29.330 31.058 19.572 1.00 0.00 H new ATOM 0 HB2 LEU A 71 29.599 33.896 18.605 1.00 0.00 H new ATOM 0 HB3 LEU A 71 30.696 33.400 19.879 1.00 0.00 H new ATOM 0 HG LEU A 71 31.541 31.542 18.553 1.00 0.00 H new ATOM 0 HD11 LEU A 71 30.658 31.033 16.294 1.00 0.00 H new ATOM 0 HD12 LEU A 71 29.399 30.839 17.537 1.00 0.00 H new ATOM 0 HD13 LEU A 71 29.410 32.285 16.500 1.00 0.00 H new ATOM 0 HD21 LEU A 71 32.442 32.754 16.578 1.00 0.00 H new ATOM 0 HD22 LEU A 71 31.214 34.023 16.802 1.00 0.00 H new ATOM 0 HD23 LEU A 71 32.477 33.779 18.032 1.00 0.00 H new ATOM 1154 N ARG A 72 29.070 31.471 21.971 1.00 0.00 N ATOM 1155 CA ARG A 72 28.908 31.644 23.413 1.00 0.00 C ATOM 1156 C ARG A 72 30.261 31.978 24.033 1.00 0.00 C ATOM 1157 O ARG A 72 31.279 31.415 23.636 1.00 0.00 O ATOM 1158 CB ARG A 72 28.356 30.344 24.024 1.00 0.00 C ATOM 1159 CG ARG A 72 27.626 30.641 25.344 1.00 0.00 C ATOM 1160 CD ARG A 72 27.137 29.330 25.971 1.00 0.00 C ATOM 1161 NE ARG A 72 26.532 29.593 27.275 1.00 0.00 N ATOM 1162 CZ ARG A 72 25.275 30.011 27.377 1.00 0.00 C ATOM 1163 NH1 ARG A 72 24.756 30.236 28.552 1.00 0.00 N ATOM 1164 NH2 ARG A 72 24.562 30.197 26.301 1.00 0.00 N ATOM 0 H ARG A 72 29.461 30.569 21.699 1.00 0.00 H new ATOM 0 HA ARG A 72 28.210 32.457 23.613 1.00 0.00 H new ATOM 0 HB2 ARG A 72 27.672 29.866 23.322 1.00 0.00 H new ATOM 0 HB3 ARG A 72 29.172 29.643 24.202 1.00 0.00 H new ATOM 0 HG2 ARG A 72 28.295 31.157 26.032 1.00 0.00 H new ATOM 0 HG3 ARG A 72 26.781 31.305 25.162 1.00 0.00 H new ATOM 0 HD2 ARG A 72 26.410 28.852 25.314 1.00 0.00 H new ATOM 0 HD3 ARG A 72 27.971 28.637 26.081 1.00 0.00 H new ATOM 0 HE ARG A 72 27.084 29.453 28.121 1.00 0.00 H new ATOM 0 HH11 ARG A 72 25.315 30.091 29.393 1.00 0.00 H new ATOM 0 HH12 ARG A 72 23.791 30.557 28.630 1.00 0.00 H new ATOM 0 HH21 ARG A 72 24.969 30.022 25.383 1.00 0.00 H new ATOM 0 HH22 ARG A 72 23.597 30.518 26.378 1.00 0.00 H new