USER MOD reduce.3.24.130724 H: found=0, std=0, add=562, rem=0, adj=12 USER MOD reduce.3.24.130724 removed 564 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 22 THR OG1 : rot 180:sc= 0.4 USER MOD Set 1.2: A 25 ASN : amide:sc= -0.0309 K(o=0.37,f=-1.2!) USER MOD Set 2.1: A 6 LYS NZ :NH3+ 180:sc= 0.277 (180deg=0) USER MOD Set 2.2: A 12 THR OG1 : rot 168:sc= 0.262 USER MOD Single : A 2 GLN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 7 THR OG1 : rot 180:sc= 0 USER MOD Single : A 9 THR OG1 : rot 180:sc= -0.371 USER MOD Single : A 11 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 14 THR OG1 : rot -73:sc= 2.11 USER MOD Single : A 20 SER OG : rot 180:sc= 0 USER MOD Single : A 27 LYS NZ :NH3+ -158:sc= -2.16 (180deg=-3.28!) USER MOD Single : A 29 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 31 GLN : amide:sc= 0 X(o=0,f=-0.47) USER MOD Single : A 33 LYS NZ :NH3+ -160:sc= -0.102 (180deg=-0.792) USER MOD Single : A 40 GLN : amide:sc= -0.105 X(o=-0.11,f=-0.11) USER MOD Single : A 41 GLN : amide:sc= -0.474 K(o=-0.47,f=-2.4!) USER MOD Single : A 48 LYS NZ :NH3+ -120:sc= 0.0503 (180deg=-0.021) USER MOD Single : A 49 GLN : amide:sc= 0 K(o=0,f=-1) USER MOD Single : A 55 THR OG1 : rot 180:sc= 0 USER MOD Single : A 57 SER OG : rot 180:sc= 0 USER MOD Single : A 59 TYR OH : rot 0:sc= 0 USER MOD Single : A 60 ASN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 62 GLN : amide:sc= -0.234 X(o=-0.23,f=-0.5) USER MOD Single : A 63 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 68 HIS : no HD1:sc= 0 K(o=0,f=-0.74) USER MOD ----------------------------------------------------------------- ATOM 20 N GLN A 2 25.207 28.077 3.388 1.00 0.00 N ATOM 21 CA GLN A 2 25.967 29.325 3.706 1.00 0.00 C ATOM 22 C GLN A 2 25.471 29.919 5.027 1.00 0.00 C ATOM 23 O GLN A 2 24.292 29.929 5.317 1.00 0.00 O ATOM 24 CB GLN A 2 25.761 30.347 2.584 1.00 0.00 C ATOM 25 CG GLN A 2 24.265 30.557 2.344 1.00 0.00 C ATOM 26 CD GLN A 2 24.068 31.586 1.229 1.00 0.00 C ATOM 27 OE1 GLN A 2 23.937 32.764 1.490 1.00 0.00 O ATOM 28 NE2 GLN A 2 24.044 31.187 -0.013 1.00 0.00 N ATOM 0 HA GLN A 2 27.026 29.083 3.796 1.00 0.00 H new ATOM 0 HB2 GLN A 2 26.232 31.293 2.850 1.00 0.00 H new ATOM 0 HB3 GLN A 2 26.240 29.998 1.669 1.00 0.00 H new ATOM 0 HG2 GLN A 2 23.794 29.613 2.070 1.00 0.00 H new ATOM 0 HG3 GLN A 2 23.783 30.900 3.260 1.00 0.00 H new ATOM 0 HE21 GLN A 2 24.154 30.197 -0.233 1.00 0.00 H new ATOM 0 HE22 GLN A 2 23.915 31.865 -0.764 1.00 0.00 H new ATOM 37 N ILE A 3 26.374 30.423 5.824 1.00 0.00 N ATOM 38 CA ILE A 3 25.984 31.038 7.129 1.00 0.00 C ATOM 39 C ILE A 3 26.930 32.203 7.409 1.00 0.00 C ATOM 40 O ILE A 3 27.940 32.352 6.745 1.00 0.00 O ATOM 41 CB ILE A 3 26.097 29.995 8.245 1.00 0.00 C ATOM 42 CG1 ILE A 3 27.482 29.343 8.199 1.00 0.00 C ATOM 43 CG2 ILE A 3 25.024 28.922 8.050 1.00 0.00 C ATOM 44 CD1 ILE A 3 27.635 28.389 9.384 1.00 0.00 C ATOM 0 H ILE A 3 27.375 30.436 5.626 1.00 0.00 H new ATOM 0 HA ILE A 3 24.954 31.393 7.087 1.00 0.00 H new ATOM 0 HB ILE A 3 25.956 30.481 9.210 1.00 0.00 H new ATOM 0 HG12 ILE A 3 27.609 28.800 7.262 1.00 0.00 H new ATOM 0 HG13 ILE A 3 28.257 30.108 8.232 1.00 0.00 H new ATOM 0 HG21 ILE A 3 25.104 28.179 8.844 1.00 0.00 H new ATOM 0 HG22 ILE A 3 24.037 29.384 8.083 1.00 0.00 H new ATOM 0 HG23 ILE A 3 25.166 28.437 7.084 1.00 0.00 H new ATOM 0 HD11 ILE A 3 28.620 27.924 9.352 1.00 0.00 H new ATOM 0 HD12 ILE A 3 27.526 28.945 10.315 1.00 0.00 H new ATOM 0 HD13 ILE A 3 26.868 27.617 9.331 1.00 0.00 H new ATOM 56 N PHE A 4 26.625 33.041 8.374 1.00 0.00 N ATOM 57 CA PHE A 4 27.521 34.206 8.678 1.00 0.00 C ATOM 58 C PHE A 4 27.795 34.267 10.178 1.00 0.00 C ATOM 59 O PHE A 4 26.897 34.172 10.987 1.00 0.00 O ATOM 60 CB PHE A 4 26.833 35.500 8.242 1.00 0.00 C ATOM 61 CG PHE A 4 26.548 35.452 6.759 1.00 0.00 C ATOM 62 CD1 PHE A 4 25.496 34.663 6.276 1.00 0.00 C ATOM 63 CD2 PHE A 4 27.331 36.195 5.867 1.00 0.00 C ATOM 64 CE1 PHE A 4 25.228 34.619 4.903 1.00 0.00 C ATOM 65 CE2 PHE A 4 27.063 36.151 4.494 1.00 0.00 C ATOM 66 CZ PHE A 4 26.012 35.362 4.013 1.00 0.00 C ATOM 0 H PHE A 4 25.796 32.969 8.964 1.00 0.00 H new ATOM 0 HA PHE A 4 28.462 34.087 8.141 1.00 0.00 H new ATOM 0 HB2 PHE A 4 25.904 35.634 8.796 1.00 0.00 H new ATOM 0 HB3 PHE A 4 27.468 36.356 8.472 1.00 0.00 H new ATOM 0 HD1 PHE A 4 24.892 34.089 6.963 1.00 0.00 H new ATOM 0 HD2 PHE A 4 28.143 36.803 6.239 1.00 0.00 H new ATOM 0 HE1 PHE A 4 24.416 34.012 4.530 1.00 0.00 H new ATOM 0 HE2 PHE A 4 27.666 36.725 3.807 1.00 0.00 H new ATOM 0 HZ PHE A 4 25.806 35.326 2.954 1.00 0.00 H new ATOM 76 N VAL A 5 29.035 34.421 10.562 1.00 0.00 N ATOM 77 CA VAL A 5 29.360 34.485 12.016 1.00 0.00 C ATOM 78 C VAL A 5 29.361 35.943 12.471 1.00 0.00 C ATOM 79 O VAL A 5 30.114 36.764 11.984 1.00 0.00 O ATOM 80 CB VAL A 5 30.736 33.869 12.267 1.00 0.00 C ATOM 81 CG1 VAL A 5 31.018 33.847 13.769 1.00 0.00 C ATOM 82 CG2 VAL A 5 30.757 32.439 11.723 1.00 0.00 C ATOM 0 H VAL A 5 29.834 34.505 9.933 1.00 0.00 H new ATOM 0 HA VAL A 5 28.611 33.927 12.578 1.00 0.00 H new ATOM 0 HB VAL A 5 31.499 34.462 11.764 1.00 0.00 H new ATOM 0 HG11 VAL A 5 31.999 33.408 13.949 1.00 0.00 H new ATOM 0 HG12 VAL A 5 31.000 34.865 14.158 1.00 0.00 H new ATOM 0 HG13 VAL A 5 30.256 33.252 14.274 1.00 0.00 H new ATOM 0 HG21 VAL A 5 31.737 31.997 11.900 1.00 0.00 H new ATOM 0 HG22 VAL A 5 29.995 31.846 12.228 1.00 0.00 H new ATOM 0 HG23 VAL A 5 30.554 32.454 10.652 1.00 0.00 H new ATOM 92 N LYS A 6 28.518 36.256 13.416 1.00 0.00 N ATOM 93 CA LYS A 6 28.449 37.654 13.941 1.00 0.00 C ATOM 94 C LYS A 6 29.274 37.749 15.225 1.00 0.00 C ATOM 95 O LYS A 6 28.936 37.160 16.234 1.00 0.00 O ATOM 96 CB LYS A 6 26.990 38.025 14.234 1.00 0.00 C ATOM 97 CG LYS A 6 26.192 38.118 12.918 1.00 0.00 C ATOM 98 CD LYS A 6 26.339 39.517 12.304 1.00 0.00 C ATOM 99 CE LYS A 6 25.597 39.570 10.967 1.00 0.00 C ATOM 100 NZ LYS A 6 25.910 40.853 10.275 1.00 0.00 N ATOM 0 H LYS A 6 27.869 35.601 13.851 1.00 0.00 H new ATOM 0 HA LYS A 6 28.849 38.344 13.198 1.00 0.00 H new ATOM 0 HB2 LYS A 6 26.541 37.278 14.888 1.00 0.00 H new ATOM 0 HB3 LYS A 6 26.948 38.978 14.762 1.00 0.00 H new ATOM 0 HG2 LYS A 6 26.548 37.365 12.215 1.00 0.00 H new ATOM 0 HG3 LYS A 6 25.140 37.905 13.107 1.00 0.00 H new ATOM 0 HD2 LYS A 6 25.938 40.268 12.984 1.00 0.00 H new ATOM 0 HD3 LYS A 6 27.393 39.752 12.156 1.00 0.00 H new ATOM 0 HE2 LYS A 6 25.891 38.726 10.342 1.00 0.00 H new ATOM 0 HE3 LYS A 6 24.523 39.486 11.132 1.00 0.00 H new ATOM 0 HZ1 LYS A 6 25.406 40.889 9.366 1.00 0.00 H new ATOM 0 HZ2 LYS A 6 25.609 41.651 10.870 1.00 0.00 H new ATOM 0 HZ3 LYS A 6 26.934 40.915 10.105 1.00 0.00 H new ATOM 114 N THR A 7 30.362 38.479 15.195 1.00 0.00 N ATOM 115 CA THR A 7 31.215 38.610 16.418 1.00 0.00 C ATOM 116 C THR A 7 30.820 39.873 17.187 1.00 0.00 C ATOM 117 O THR A 7 30.208 40.775 16.649 1.00 0.00 O ATOM 118 CB THR A 7 32.687 38.701 16.006 1.00 0.00 C ATOM 119 OG1 THR A 7 33.012 37.598 15.170 1.00 0.00 O ATOM 120 CG2 THR A 7 33.570 38.673 17.254 1.00 0.00 C ATOM 0 H THR A 7 30.696 38.989 14.378 1.00 0.00 H new ATOM 0 HA THR A 7 31.069 37.738 17.056 1.00 0.00 H new ATOM 0 HB THR A 7 32.856 39.631 15.464 1.00 0.00 H new ATOM 0 HG1 THR A 7 33.953 37.655 14.904 1.00 0.00 H new ATOM 0 HG21 THR A 7 34.618 38.738 16.960 1.00 0.00 H new ATOM 0 HG22 THR A 7 33.320 39.518 17.895 1.00 0.00 H new ATOM 0 HG23 THR A 7 33.403 37.743 17.797 1.00 0.00 H new ATOM 128 N LEU A 8 31.160 39.945 18.445 1.00 0.00 N ATOM 129 CA LEU A 8 30.797 41.146 19.253 1.00 0.00 C ATOM 130 C LEU A 8 31.491 42.388 18.686 1.00 0.00 C ATOM 131 O LEU A 8 31.077 43.504 18.929 1.00 0.00 O ATOM 132 CB LEU A 8 31.243 40.939 20.702 1.00 0.00 C ATOM 133 CG LEU A 8 30.770 39.571 21.202 1.00 0.00 C ATOM 134 CD1 LEU A 8 31.225 39.377 22.651 1.00 0.00 C ATOM 135 CD2 LEU A 8 29.239 39.491 21.130 1.00 0.00 C ATOM 0 H LEU A 8 31.674 39.223 18.950 1.00 0.00 H new ATOM 0 HA LEU A 8 29.717 41.287 19.214 1.00 0.00 H new ATOM 0 HB2 LEU A 8 32.329 41.006 20.771 1.00 0.00 H new ATOM 0 HB3 LEU A 8 30.835 41.728 21.334 1.00 0.00 H new ATOM 0 HG LEU A 8 31.198 38.789 20.575 1.00 0.00 H new ATOM 0 HD11 LEU A 8 30.890 38.404 23.010 1.00 0.00 H new ATOM 0 HD12 LEU A 8 32.313 39.427 22.701 1.00 0.00 H new ATOM 0 HD13 LEU A 8 30.797 40.161 23.275 1.00 0.00 H new ATOM 0 HD21 LEU A 8 28.908 38.516 21.487 1.00 0.00 H new ATOM 0 HD22 LEU A 8 28.804 40.272 21.754 1.00 0.00 H new ATOM 0 HD23 LEU A 8 28.916 39.628 20.098 1.00 0.00 H new ATOM 147 N THR A 9 32.546 42.210 17.938 1.00 0.00 N ATOM 148 CA THR A 9 33.262 43.389 17.367 1.00 0.00 C ATOM 149 C THR A 9 32.537 43.866 16.107 1.00 0.00 C ATOM 150 O THR A 9 32.939 44.823 15.474 1.00 0.00 O ATOM 151 CB THR A 9 34.698 42.993 17.019 1.00 0.00 C ATOM 152 OG1 THR A 9 34.681 41.904 16.107 1.00 0.00 O ATOM 153 CG2 THR A 9 35.437 42.583 18.294 1.00 0.00 C ATOM 0 H THR A 9 32.943 41.302 17.697 1.00 0.00 H new ATOM 0 HA THR A 9 33.278 44.196 18.099 1.00 0.00 H new ATOM 0 HB THR A 9 35.209 43.840 16.561 1.00 0.00 H new ATOM 0 HG1 THR A 9 35.601 41.651 15.882 1.00 0.00 H new ATOM 0 HG21 THR A 9 36.460 42.301 18.047 1.00 0.00 H new ATOM 0 HG22 THR A 9 35.450 43.420 18.992 1.00 0.00 H new ATOM 0 HG23 THR A 9 34.928 41.736 18.753 1.00 0.00 H new ATOM 161 N GLY A 10 31.468 43.212 15.741 1.00 0.00 N ATOM 162 CA GLY A 10 30.713 43.633 14.526 1.00 0.00 C ATOM 163 C GLY A 10 31.367 43.041 13.278 1.00 0.00 C ATOM 164 O GLY A 10 31.059 43.428 12.167 1.00 0.00 O ATOM 0 H GLY A 10 31.085 42.404 16.231 1.00 0.00 H new ATOM 0 HA2 GLY A 10 29.677 43.301 14.597 1.00 0.00 H new ATOM 0 HA3 GLY A 10 30.695 44.721 14.457 1.00 0.00 H new ATOM 168 N LYS A 11 32.265 42.107 13.440 1.00 0.00 N ATOM 169 CA LYS A 11 32.929 41.500 12.252 1.00 0.00 C ATOM 170 C LYS A 11 32.043 40.392 11.680 1.00 0.00 C ATOM 171 O LYS A 11 31.692 39.447 12.365 1.00 0.00 O ATOM 172 CB LYS A 11 34.274 40.899 12.663 1.00 0.00 C ATOM 173 CG LYS A 11 35.262 42.018 12.998 1.00 0.00 C ATOM 174 CD LYS A 11 36.630 41.407 13.312 1.00 0.00 C ATOM 175 CE LYS A 11 37.583 42.500 13.799 1.00 0.00 C ATOM 176 NZ LYS A 11 38.918 41.902 14.084 1.00 0.00 N ATOM 0 H LYS A 11 32.567 41.739 14.342 1.00 0.00 H new ATOM 0 HA LYS A 11 33.087 42.272 11.499 1.00 0.00 H new ATOM 0 HB2 LYS A 11 34.143 40.247 13.527 1.00 0.00 H new ATOM 0 HB3 LYS A 11 34.669 40.283 11.856 1.00 0.00 H new ATOM 0 HG2 LYS A 11 35.344 42.710 12.160 1.00 0.00 H new ATOM 0 HG3 LYS A 11 34.903 42.593 13.852 1.00 0.00 H new ATOM 0 HD2 LYS A 11 36.528 40.634 14.074 1.00 0.00 H new ATOM 0 HD3 LYS A 11 37.037 40.926 12.423 1.00 0.00 H new ATOM 0 HE2 LYS A 11 37.676 43.280 13.043 1.00 0.00 H new ATOM 0 HE3 LYS A 11 37.184 42.972 14.697 1.00 0.00 H new ATOM 0 HZ1 LYS A 11 39.567 42.644 14.415 1.00 0.00 H new ATOM 0 HZ2 LYS A 11 38.822 41.173 14.819 1.00 0.00 H new ATOM 0 HZ3 LYS A 11 39.298 41.472 13.217 1.00 0.00 H new ATOM 190 N THR A 12 31.677 40.510 10.428 1.00 0.00 N ATOM 191 CA THR A 12 30.813 39.474 9.784 1.00 0.00 C ATOM 192 C THR A 12 31.682 38.546 8.931 1.00 0.00 C ATOM 193 O THR A 12 32.326 38.973 7.993 1.00 0.00 O ATOM 194 CB THR A 12 29.775 40.158 8.891 1.00 0.00 C ATOM 195 OG1 THR A 12 28.997 41.054 9.670 1.00 0.00 O ATOM 196 CG2 THR A 12 28.865 39.100 8.265 1.00 0.00 C ATOM 0 H THR A 12 31.942 41.285 9.820 1.00 0.00 H new ATOM 0 HA THR A 12 30.305 38.894 10.555 1.00 0.00 H new ATOM 0 HB THR A 12 30.283 40.712 8.102 1.00 0.00 H new ATOM 0 HG1 THR A 12 28.469 41.629 9.077 1.00 0.00 H new ATOM 0 HG21 THR A 12 28.125 39.586 7.629 1.00 0.00 H new ATOM 0 HG22 THR A 12 29.464 38.414 7.666 1.00 0.00 H new ATOM 0 HG23 THR A 12 28.357 38.545 9.053 1.00 0.00 H new ATOM 204 N ILE A 13 31.691 37.277 9.253 1.00 0.00 N ATOM 205 CA ILE A 13 32.507 36.288 8.469 1.00 0.00 C ATOM 206 C ILE A 13 31.576 35.270 7.820 1.00 0.00 C ATOM 207 O ILE A 13 30.698 34.727 8.457 1.00 0.00 O ATOM 208 CB ILE A 13 33.476 35.562 9.399 1.00 0.00 C ATOM 209 CG1 ILE A 13 34.172 36.590 10.297 1.00 0.00 C ATOM 210 CG2 ILE A 13 34.515 34.812 8.558 1.00 0.00 C ATOM 211 CD1 ILE A 13 35.352 35.935 11.013 1.00 0.00 C ATOM 0 H ILE A 13 31.166 36.877 10.030 1.00 0.00 H new ATOM 0 HA ILE A 13 33.072 36.816 7.701 1.00 0.00 H new ATOM 0 HB ILE A 13 32.935 34.848 10.020 1.00 0.00 H new ATOM 0 HG12 ILE A 13 34.519 37.433 9.699 1.00 0.00 H new ATOM 0 HG13 ILE A 13 33.466 36.986 11.027 1.00 0.00 H new ATOM 0 HG21 ILE A 13 35.210 34.292 9.217 1.00 0.00 H new ATOM 0 HG22 ILE A 13 34.011 34.088 7.918 1.00 0.00 H new ATOM 0 HG23 ILE A 13 35.064 35.522 7.940 1.00 0.00 H new ATOM 0 HD11 ILE A 13 35.844 36.670 11.650 1.00 0.00 H new ATOM 0 HD12 ILE A 13 34.993 35.107 11.624 1.00 0.00 H new ATOM 0 HD13 ILE A 13 36.062 35.560 10.276 1.00 0.00 H new ATOM 223 N THR A 14 31.754 35.015 6.551 1.00 0.00 N ATOM 224 CA THR A 14 30.869 34.037 5.842 1.00 0.00 C ATOM 225 C THR A 14 31.563 32.678 5.761 1.00 0.00 C ATOM 226 O THR A 14 32.700 32.575 5.344 1.00 0.00 O ATOM 227 CB THR A 14 30.591 34.551 4.426 1.00 0.00 C ATOM 228 OG1 THR A 14 30.075 35.872 4.497 1.00 0.00 O ATOM 229 CG2 THR A 14 29.571 33.641 3.739 1.00 0.00 C ATOM 0 H THR A 14 32.476 35.442 5.971 1.00 0.00 H new ATOM 0 HA THR A 14 29.932 33.929 6.389 1.00 0.00 H new ATOM 0 HB THR A 14 31.518 34.551 3.852 1.00 0.00 H new ATOM 0 HG1 THR A 14 29.150 35.845 4.820 1.00 0.00 H new ATOM 0 HG21 THR A 14 29.375 34.009 2.732 1.00 0.00 H new ATOM 0 HG22 THR A 14 29.967 32.627 3.684 1.00 0.00 H new ATOM 0 HG23 THR A 14 28.643 33.638 4.311 1.00 0.00 H new ATOM 237 N LEU A 15 30.880 31.633 6.158 1.00 0.00 N ATOM 238 CA LEU A 15 31.480 30.261 6.113 1.00 0.00 C ATOM 239 C LEU A 15 30.518 29.303 5.411 1.00 0.00 C ATOM 240 O LEU A 15 29.312 29.429 5.508 1.00 0.00 O ATOM 241 CB LEU A 15 31.716 29.755 7.541 1.00 0.00 C ATOM 242 CG LEU A 15 32.781 30.609 8.249 1.00 0.00 C ATOM 243 CD1 LEU A 15 32.731 30.328 9.754 1.00 0.00 C ATOM 244 CD2 LEU A 15 34.186 30.265 7.722 1.00 0.00 C ATOM 0 H LEU A 15 29.925 31.671 6.514 1.00 0.00 H new ATOM 0 HA LEU A 15 32.425 30.305 5.571 1.00 0.00 H new ATOM 0 HB2 LEU A 15 30.783 29.788 8.103 1.00 0.00 H new ATOM 0 HB3 LEU A 15 32.036 28.713 7.515 1.00 0.00 H new ATOM 0 HG LEU A 15 32.576 31.661 8.052 1.00 0.00 H new ATOM 0 HD11 LEU A 15 33.484 30.931 10.262 1.00 0.00 H new ATOM 0 HD12 LEU A 15 31.743 30.582 10.139 1.00 0.00 H new ATOM 0 HD13 LEU A 15 32.930 29.272 9.934 1.00 0.00 H new ATOM 0 HD21 LEU A 15 34.927 30.879 8.234 1.00 0.00 H new ATOM 0 HD22 LEU A 15 34.396 29.212 7.908 1.00 0.00 H new ATOM 0 HD23 LEU A 15 34.231 30.461 6.651 1.00 0.00 H new ATOM 256 N GLU A 16 31.054 28.324 4.729 1.00 0.00 N ATOM 257 CA GLU A 16 30.204 27.308 4.033 1.00 0.00 C ATOM 258 C GLU A 16 30.427 25.970 4.732 1.00 0.00 C ATOM 259 O GLU A 16 31.551 25.578 4.978 1.00 0.00 O ATOM 260 CB GLU A 16 30.628 27.201 2.566 1.00 0.00 C ATOM 261 CG GLU A 16 29.599 26.371 1.797 1.00 0.00 C ATOM 262 CD GLU A 16 29.956 26.359 0.310 1.00 0.00 C ATOM 263 OE1 GLU A 16 29.498 27.242 -0.396 1.00 0.00 O ATOM 264 OE2 GLU A 16 30.683 25.468 -0.098 1.00 0.00 O ATOM 0 H GLU A 16 32.059 28.182 4.623 1.00 0.00 H new ATOM 0 HA GLU A 16 29.152 27.592 4.070 1.00 0.00 H new ATOM 0 HB2 GLU A 16 30.711 28.195 2.127 1.00 0.00 H new ATOM 0 HB3 GLU A 16 31.612 26.738 2.494 1.00 0.00 H new ATOM 0 HG2 GLU A 16 29.576 25.352 2.184 1.00 0.00 H new ATOM 0 HG3 GLU A 16 28.602 26.788 1.938 1.00 0.00 H new ATOM 271 N VAL A 17 29.378 25.266 5.075 1.00 0.00 N ATOM 272 CA VAL A 17 29.558 23.962 5.785 1.00 0.00 C ATOM 273 C VAL A 17 28.466 22.978 5.361 1.00 0.00 C ATOM 274 O VAL A 17 27.645 23.264 4.513 1.00 0.00 O ATOM 275 CB VAL A 17 29.502 24.191 7.311 1.00 0.00 C ATOM 276 CG1 VAL A 17 30.198 25.510 7.659 1.00 0.00 C ATOM 277 CG2 VAL A 17 28.043 24.246 7.798 1.00 0.00 C ATOM 0 H VAL A 17 28.411 25.535 4.896 1.00 0.00 H new ATOM 0 HA VAL A 17 30.529 23.542 5.521 1.00 0.00 H new ATOM 0 HB VAL A 17 30.009 23.361 7.804 1.00 0.00 H new ATOM 0 HG11 VAL A 17 30.157 25.670 8.736 1.00 0.00 H new ATOM 0 HG12 VAL A 17 31.239 25.468 7.337 1.00 0.00 H new ATOM 0 HG13 VAL A 17 29.694 26.332 7.151 1.00 0.00 H new ATOM 0 HG21 VAL A 17 28.025 24.408 8.876 1.00 0.00 H new ATOM 0 HG22 VAL A 17 27.524 25.064 7.299 1.00 0.00 H new ATOM 0 HG23 VAL A 17 27.546 23.305 7.564 1.00 0.00 H new ATOM 287 N GLU A 18 28.451 21.825 5.977 1.00 0.00 N ATOM 288 CA GLU A 18 27.418 20.793 5.670 1.00 0.00 C ATOM 289 C GLU A 18 26.555 20.604 6.925 1.00 0.00 C ATOM 290 O GLU A 18 27.034 20.759 8.028 1.00 0.00 O ATOM 291 CB GLU A 18 28.119 19.474 5.328 1.00 0.00 C ATOM 292 CG GLU A 18 29.131 19.705 4.202 1.00 0.00 C ATOM 293 CD GLU A 18 28.389 20.081 2.918 1.00 0.00 C ATOM 294 OE1 GLU A 18 28.176 21.264 2.705 1.00 0.00 O ATOM 295 OE2 GLU A 18 28.047 19.180 2.171 1.00 0.00 O ATOM 0 H GLU A 18 29.124 21.551 6.693 1.00 0.00 H new ATOM 0 HA GLU A 18 26.799 21.101 4.827 1.00 0.00 H new ATOM 0 HB2 GLU A 18 28.625 19.080 6.210 1.00 0.00 H new ATOM 0 HB3 GLU A 18 27.384 18.729 5.023 1.00 0.00 H new ATOM 0 HG2 GLU A 18 29.825 20.499 4.479 1.00 0.00 H new ATOM 0 HG3 GLU A 18 29.724 18.805 4.041 1.00 0.00 H new ATOM 302 N PRO A 19 25.299 20.271 6.780 1.00 0.00 N ATOM 303 CA PRO A 19 24.390 20.065 7.953 1.00 0.00 C ATOM 304 C PRO A 19 24.811 18.835 8.761 1.00 0.00 C ATOM 305 O PRO A 19 24.623 18.763 9.959 1.00 0.00 O ATOM 306 CB PRO A 19 23.018 19.849 7.302 1.00 0.00 C ATOM 307 CG PRO A 19 23.345 19.290 5.963 1.00 0.00 C ATOM 308 CD PRO A 19 24.591 20.040 5.510 1.00 0.00 C ATOM 0 HA PRO A 19 24.403 20.899 8.655 1.00 0.00 H new ATOM 0 HB2 PRO A 19 22.403 19.162 7.883 1.00 0.00 H new ATOM 0 HB3 PRO A 19 22.462 20.783 7.221 1.00 0.00 H new ATOM 0 HG2 PRO A 19 23.530 18.217 6.019 1.00 0.00 H new ATOM 0 HG3 PRO A 19 22.522 19.436 5.264 1.00 0.00 H new ATOM 0 HD2 PRO A 19 25.188 19.452 4.813 1.00 0.00 H new ATOM 0 HD3 PRO A 19 24.342 20.975 5.007 1.00 0.00 H new ATOM 316 N SER A 20 25.376 17.865 8.098 1.00 0.00 N ATOM 317 CA SER A 20 25.816 16.633 8.800 1.00 0.00 C ATOM 318 C SER A 20 27.198 16.871 9.408 1.00 0.00 C ATOM 319 O SER A 20 27.780 15.987 10.003 1.00 0.00 O ATOM 320 CB SER A 20 25.891 15.478 7.801 1.00 0.00 C ATOM 321 OG SER A 20 24.617 15.293 7.199 1.00 0.00 O ATOM 0 H SER A 20 25.552 17.875 7.093 1.00 0.00 H new ATOM 0 HA SER A 20 25.105 16.384 9.588 1.00 0.00 H new ATOM 0 HB2 SER A 20 26.639 15.691 7.037 1.00 0.00 H new ATOM 0 HB3 SER A 20 26.203 14.564 8.307 1.00 0.00 H new ATOM 0 HG SER A 20 24.663 14.554 6.557 1.00 0.00 H new ATOM 327 N ASP A 21 27.731 18.058 9.269 1.00 0.00 N ATOM 328 CA ASP A 21 29.078 18.323 9.854 1.00 0.00 C ATOM 329 C ASP A 21 28.961 18.337 11.382 1.00 0.00 C ATOM 330 O ASP A 21 27.951 18.738 11.939 1.00 0.00 O ATOM 331 CB ASP A 21 29.627 19.677 9.342 1.00 0.00 C ATOM 332 CG ASP A 21 31.154 19.608 9.209 1.00 0.00 C ATOM 333 OD1 ASP A 21 31.638 18.622 8.677 1.00 0.00 O ATOM 334 OD2 ASP A 21 31.811 20.541 9.642 1.00 0.00 O ATOM 0 H ASP A 21 27.299 18.844 8.783 1.00 0.00 H new ATOM 0 HA ASP A 21 29.771 17.539 9.549 1.00 0.00 H new ATOM 0 HB2 ASP A 21 29.180 19.918 8.377 1.00 0.00 H new ATOM 0 HB3 ASP A 21 29.349 20.475 10.031 1.00 0.00 H new ATOM 339 N THR A 22 29.988 17.902 12.064 1.00 0.00 N ATOM 340 CA THR A 22 29.949 17.884 13.555 1.00 0.00 C ATOM 341 C THR A 22 30.480 19.213 14.087 1.00 0.00 C ATOM 342 O THR A 22 31.217 19.906 13.418 1.00 0.00 O ATOM 343 CB THR A 22 30.832 16.743 14.072 1.00 0.00 C ATOM 344 OG1 THR A 22 32.194 17.039 13.798 1.00 0.00 O ATOM 345 CG2 THR A 22 30.442 15.438 13.378 1.00 0.00 C ATOM 0 H THR A 22 30.854 17.557 11.651 1.00 0.00 H new ATOM 0 HA THR A 22 28.924 17.735 13.894 1.00 0.00 H new ATOM 0 HB THR A 22 30.693 16.635 15.148 1.00 0.00 H new ATOM 0 HG1 THR A 22 32.760 16.311 14.129 1.00 0.00 H new ATOM 0 HG21 THR A 22 31.071 14.628 13.747 1.00 0.00 H new ATOM 0 HG22 THR A 22 29.397 15.211 13.590 1.00 0.00 H new ATOM 0 HG23 THR A 22 30.580 15.543 12.302 1.00 0.00 H new ATOM 353 N ILE A 23 30.114 19.576 15.284 1.00 0.00 N ATOM 354 CA ILE A 23 30.613 20.863 15.838 1.00 0.00 C ATOM 355 C ILE A 23 32.144 20.862 15.788 1.00 0.00 C ATOM 356 O ILE A 23 32.767 21.872 15.534 1.00 0.00 O ATOM 357 CB ILE A 23 30.140 21.028 17.288 1.00 0.00 C ATOM 358 CG1 ILE A 23 28.606 20.900 17.374 1.00 0.00 C ATOM 359 CG2 ILE A 23 30.561 22.407 17.802 1.00 0.00 C ATOM 360 CD1 ILE A 23 27.931 21.832 16.362 1.00 0.00 C ATOM 0 H ILE A 23 29.497 19.043 15.897 1.00 0.00 H new ATOM 0 HA ILE A 23 30.224 21.692 15.247 1.00 0.00 H new ATOM 0 HB ILE A 23 30.593 20.246 17.897 1.00 0.00 H new ATOM 0 HG12 ILE A 23 28.310 19.869 17.181 1.00 0.00 H new ATOM 0 HG13 ILE A 23 28.271 21.145 18.382 1.00 0.00 H new ATOM 0 HG21 ILE A 23 30.227 22.529 18.832 1.00 0.00 H new ATOM 0 HG22 ILE A 23 31.647 22.495 17.760 1.00 0.00 H new ATOM 0 HG23 ILE A 23 30.110 23.180 17.180 1.00 0.00 H new ATOM 0 HD11 ILE A 23 26.849 21.728 16.437 1.00 0.00 H new ATOM 0 HD12 ILE A 23 28.212 22.864 16.574 1.00 0.00 H new ATOM 0 HD13 ILE A 23 28.252 21.568 15.354 1.00 0.00 H new ATOM 372 N GLU A 24 32.757 19.731 16.019 1.00 0.00 N ATOM 373 CA GLU A 24 34.247 19.668 15.974 1.00 0.00 C ATOM 374 C GLU A 24 34.737 19.978 14.556 1.00 0.00 C ATOM 375 O GLU A 24 35.628 20.779 14.356 1.00 0.00 O ATOM 376 CB GLU A 24 34.708 18.262 16.365 1.00 0.00 C ATOM 377 CG GLU A 24 34.489 18.044 17.863 1.00 0.00 C ATOM 378 CD GLU A 24 34.976 16.647 18.249 1.00 0.00 C ATOM 379 OE1 GLU A 24 35.843 16.133 17.562 1.00 0.00 O ATOM 380 OE2 GLU A 24 34.473 16.115 19.225 1.00 0.00 O ATOM 0 H GLU A 24 32.291 18.850 16.236 1.00 0.00 H new ATOM 0 HA GLU A 24 34.657 20.400 16.669 1.00 0.00 H new ATOM 0 HB2 GLU A 24 34.155 17.516 15.795 1.00 0.00 H new ATOM 0 HB3 GLU A 24 35.762 18.133 16.120 1.00 0.00 H new ATOM 0 HG2 GLU A 24 35.028 18.800 18.434 1.00 0.00 H new ATOM 0 HG3 GLU A 24 33.432 18.153 18.107 1.00 0.00 H new ATOM 387 N ASN A 25 34.162 19.340 13.573 1.00 0.00 N ATOM 388 CA ASN A 25 34.592 19.582 12.165 1.00 0.00 C ATOM 389 C ASN A 25 34.371 21.051 11.798 1.00 0.00 C ATOM 390 O ASN A 25 35.155 21.655 11.083 1.00 0.00 O ATOM 391 CB ASN A 25 33.763 18.700 11.225 1.00 0.00 C ATOM 392 CG ASN A 25 34.126 17.231 11.445 1.00 0.00 C ATOM 393 OD1 ASN A 25 35.193 16.924 11.939 1.00 0.00 O ATOM 394 ND2 ASN A 25 33.276 16.303 11.099 1.00 0.00 N ATOM 0 H ASN A 25 33.411 18.659 13.684 1.00 0.00 H new ATOM 0 HA ASN A 25 35.650 19.340 12.067 1.00 0.00 H new ATOM 0 HB2 ASN A 25 32.700 18.854 11.410 1.00 0.00 H new ATOM 0 HB3 ASN A 25 33.950 18.980 10.188 1.00 0.00 H new ATOM 0 HD21 ASN A 25 33.507 15.320 11.243 1.00 0.00 H new ATOM 0 HD22 ASN A 25 32.380 16.561 10.684 1.00 0.00 H new ATOM 401 N VAL A 26 33.311 21.634 12.282 1.00 0.00 N ATOM 402 CA VAL A 26 33.033 23.060 11.961 1.00 0.00 C ATOM 403 C VAL A 26 34.002 23.952 12.736 1.00 0.00 C ATOM 404 O VAL A 26 34.354 25.030 12.298 1.00 0.00 O ATOM 405 CB VAL A 26 31.593 23.393 12.356 1.00 0.00 C ATOM 406 CG1 VAL A 26 31.276 24.834 11.965 1.00 0.00 C ATOM 407 CG2 VAL A 26 30.627 22.449 11.630 1.00 0.00 C ATOM 0 H VAL A 26 32.624 21.184 12.887 1.00 0.00 H new ATOM 0 HA VAL A 26 33.164 23.231 10.893 1.00 0.00 H new ATOM 0 HB VAL A 26 31.480 23.272 13.433 1.00 0.00 H new ATOM 0 HG11 VAL A 26 30.250 25.070 12.247 1.00 0.00 H new ATOM 0 HG12 VAL A 26 31.959 25.509 12.481 1.00 0.00 H new ATOM 0 HG13 VAL A 26 31.393 24.953 10.888 1.00 0.00 H new ATOM 0 HG21 VAL A 26 29.602 22.689 11.913 1.00 0.00 H new ATOM 0 HG22 VAL A 26 30.743 22.568 10.553 1.00 0.00 H new ATOM 0 HG23 VAL A 26 30.848 21.418 11.907 1.00 0.00 H new ATOM 417 N LYS A 27 34.450 23.504 13.878 1.00 0.00 N ATOM 418 CA LYS A 27 35.409 24.322 14.667 1.00 0.00 C ATOM 419 C LYS A 27 36.716 24.376 13.889 1.00 0.00 C ATOM 420 O LYS A 27 37.387 25.386 13.832 1.00 0.00 O ATOM 421 CB LYS A 27 35.645 23.674 16.040 1.00 0.00 C ATOM 422 CG LYS A 27 34.546 24.101 17.020 1.00 0.00 C ATOM 423 CD LYS A 27 34.805 23.460 18.391 1.00 0.00 C ATOM 424 CE LYS A 27 34.044 24.228 19.476 1.00 0.00 C ATOM 425 NZ LYS A 27 32.585 24.195 19.180 1.00 0.00 N ATOM 0 H LYS A 27 34.193 22.610 14.296 1.00 0.00 H new ATOM 0 HA LYS A 27 35.015 25.326 14.826 1.00 0.00 H new ATOM 0 HB2 LYS A 27 35.654 22.588 15.942 1.00 0.00 H new ATOM 0 HB3 LYS A 27 36.621 23.967 16.426 1.00 0.00 H new ATOM 0 HG2 LYS A 27 34.528 25.187 17.112 1.00 0.00 H new ATOM 0 HG3 LYS A 27 33.570 23.797 16.643 1.00 0.00 H new ATOM 0 HD2 LYS A 27 34.488 22.417 18.381 1.00 0.00 H new ATOM 0 HD3 LYS A 27 35.873 23.466 18.610 1.00 0.00 H new ATOM 0 HE2 LYS A 27 34.237 23.785 20.453 1.00 0.00 H new ATOM 0 HE3 LYS A 27 34.394 25.260 19.519 1.00 0.00 H new ATOM 0 HZ1 LYS A 27 32.115 24.987 19.663 1.00 0.00 H new ATOM 0 HZ2 LYS A 27 32.437 24.278 18.154 1.00 0.00 H new ATOM 0 HZ3 LYS A 27 32.183 23.297 19.516 1.00 0.00 H new ATOM 439 N ALA A 28 37.066 23.287 13.273 1.00 0.00 N ATOM 440 CA ALA A 28 38.314 23.253 12.474 1.00 0.00 C ATOM 441 C ALA A 28 38.220 24.331 11.392 1.00 0.00 C ATOM 442 O ALA A 28 39.049 25.211 11.303 1.00 0.00 O ATOM 443 CB ALA A 28 38.435 21.868 11.837 1.00 0.00 C ATOM 0 H ALA A 28 36.538 22.415 13.289 1.00 0.00 H new ATOM 0 HA ALA A 28 39.190 23.442 13.095 1.00 0.00 H new ATOM 0 HB1 ALA A 28 39.348 21.819 11.243 1.00 0.00 H new ATOM 0 HB2 ALA A 28 38.470 21.110 12.619 1.00 0.00 H new ATOM 0 HB3 ALA A 28 37.574 21.687 11.194 1.00 0.00 H new ATOM 449 N LYS A 29 37.212 24.262 10.567 1.00 0.00 N ATOM 450 CA LYS A 29 37.061 25.280 9.484 1.00 0.00 C ATOM 451 C LYS A 29 37.231 26.684 10.077 1.00 0.00 C ATOM 452 O LYS A 29 37.925 27.524 9.538 1.00 0.00 O ATOM 453 CB LYS A 29 35.656 25.165 8.880 1.00 0.00 C ATOM 454 CG LYS A 29 35.410 23.735 8.354 1.00 0.00 C ATOM 455 CD LYS A 29 35.933 23.596 6.912 1.00 0.00 C ATOM 456 CE LYS A 29 34.859 24.056 5.915 1.00 0.00 C ATOM 457 NZ LYS A 29 35.401 23.983 4.530 1.00 0.00 N ATOM 0 H LYS A 29 36.486 23.546 10.594 1.00 0.00 H new ATOM 0 HA LYS A 29 37.815 25.110 8.716 1.00 0.00 H new ATOM 0 HB2 LYS A 29 34.908 25.416 9.633 1.00 0.00 H new ATOM 0 HB3 LYS A 29 35.543 25.882 8.067 1.00 0.00 H new ATOM 0 HG2 LYS A 29 35.909 23.012 9.000 1.00 0.00 H new ATOM 0 HG3 LYS A 29 34.344 23.508 8.385 1.00 0.00 H new ATOM 0 HD2 LYS A 29 36.837 24.192 6.786 1.00 0.00 H new ATOM 0 HD3 LYS A 29 36.204 22.559 6.714 1.00 0.00 H new ATOM 0 HE2 LYS A 29 33.973 23.427 6.003 1.00 0.00 H new ATOM 0 HE3 LYS A 29 34.550 25.076 6.142 1.00 0.00 H new ATOM 0 HZ1 LYS A 29 34.673 24.295 3.856 1.00 0.00 H new ATOM 0 HZ2 LYS A 29 36.234 24.600 4.450 1.00 0.00 H new ATOM 0 HZ3 LYS A 29 35.675 23.003 4.316 1.00 0.00 H new ATOM 471 N ILE A 30 36.605 26.932 11.192 1.00 0.00 N ATOM 472 CA ILE A 30 36.722 28.273 11.834 1.00 0.00 C ATOM 473 C ILE A 30 38.173 28.521 12.256 1.00 0.00 C ATOM 474 O ILE A 30 38.686 29.615 12.127 1.00 0.00 O ATOM 475 CB ILE A 30 35.809 28.344 13.060 1.00 0.00 C ATOM 476 CG1 ILE A 30 34.349 28.269 12.603 1.00 0.00 C ATOM 477 CG2 ILE A 30 36.043 29.672 13.795 1.00 0.00 C ATOM 478 CD1 ILE A 30 33.436 28.108 13.819 1.00 0.00 C ATOM 0 H ILE A 30 36.016 26.264 11.689 1.00 0.00 H new ATOM 0 HA ILE A 30 36.420 29.038 11.118 1.00 0.00 H new ATOM 0 HB ILE A 30 36.029 27.513 13.730 1.00 0.00 H new ATOM 0 HG12 ILE A 30 34.083 29.172 12.053 1.00 0.00 H new ATOM 0 HG13 ILE A 30 34.214 27.429 11.921 1.00 0.00 H new ATOM 0 HG21 ILE A 30 35.393 29.724 14.669 1.00 0.00 H new ATOM 0 HG22 ILE A 30 37.084 29.733 14.113 1.00 0.00 H new ATOM 0 HG23 ILE A 30 35.818 30.503 13.126 1.00 0.00 H new ATOM 0 HD11 ILE A 30 32.398 28.055 13.490 1.00 0.00 H new ATOM 0 HD12 ILE A 30 33.696 27.192 14.350 1.00 0.00 H new ATOM 0 HD13 ILE A 30 33.563 28.962 14.485 1.00 0.00 H new ATOM 490 N GLN A 31 38.833 27.516 12.763 1.00 0.00 N ATOM 491 CA GLN A 31 40.248 27.687 13.204 1.00 0.00 C ATOM 492 C GLN A 31 41.168 27.851 11.990 1.00 0.00 C ATOM 493 O GLN A 31 41.975 28.757 11.927 1.00 0.00 O ATOM 494 CB GLN A 31 40.670 26.442 13.990 1.00 0.00 C ATOM 495 CG GLN A 31 42.027 26.679 14.657 1.00 0.00 C ATOM 496 CD GLN A 31 42.562 25.352 15.199 1.00 0.00 C ATOM 497 OE1 GLN A 31 41.801 24.505 15.624 1.00 0.00 O ATOM 498 NE2 GLN A 31 43.849 25.131 15.203 1.00 0.00 N ATOM 0 H GLN A 31 38.452 26.579 12.892 1.00 0.00 H new ATOM 0 HA GLN A 31 40.327 28.577 13.828 1.00 0.00 H new ATOM 0 HB2 GLN A 31 39.920 26.207 14.746 1.00 0.00 H new ATOM 0 HB3 GLN A 31 40.729 25.583 13.322 1.00 0.00 H new ATOM 0 HG2 GLN A 31 42.730 27.101 13.939 1.00 0.00 H new ATOM 0 HG3 GLN A 31 41.926 27.402 15.467 1.00 0.00 H new ATOM 0 HE21 GLN A 31 44.489 25.840 14.847 1.00 0.00 H new ATOM 0 HE22 GLN A 31 44.214 24.249 15.562 1.00 0.00 H new ATOM 507 N ASP A 32 41.070 26.962 11.043 1.00 0.00 N ATOM 508 CA ASP A 32 41.951 27.027 9.843 1.00 0.00 C ATOM 509 C ASP A 32 41.692 28.295 9.023 1.00 0.00 C ATOM 510 O ASP A 32 42.511 28.678 8.211 1.00 0.00 O ATOM 511 CB ASP A 32 41.693 25.802 8.963 1.00 0.00 C ATOM 512 CG ASP A 32 42.649 25.819 7.770 1.00 0.00 C ATOM 513 OD1 ASP A 32 43.745 25.301 7.905 1.00 0.00 O ATOM 514 OD2 ASP A 32 42.271 26.354 6.740 1.00 0.00 O ATOM 0 H ASP A 32 40.410 26.184 11.048 1.00 0.00 H new ATOM 0 HA ASP A 32 42.986 27.045 10.183 1.00 0.00 H new ATOM 0 HB2 ASP A 32 41.834 24.889 9.542 1.00 0.00 H new ATOM 0 HB3 ASP A 32 40.660 25.803 8.615 1.00 0.00 H new ATOM 519 N LYS A 33 40.569 28.951 9.201 1.00 0.00 N ATOM 520 CA LYS A 33 40.288 30.186 8.397 1.00 0.00 C ATOM 521 C LYS A 33 40.630 31.447 9.200 1.00 0.00 C ATOM 522 O LYS A 33 41.272 32.350 8.699 1.00 0.00 O ATOM 523 CB LYS A 33 38.801 30.214 8.026 1.00 0.00 C ATOM 524 CG LYS A 33 38.474 29.060 7.058 1.00 0.00 C ATOM 525 CD LYS A 33 38.782 29.473 5.613 1.00 0.00 C ATOM 526 CE LYS A 33 38.345 28.358 4.662 1.00 0.00 C ATOM 527 NZ LYS A 33 38.946 27.067 5.101 1.00 0.00 N ATOM 0 H LYS A 33 39.839 28.688 9.863 1.00 0.00 H new ATOM 0 HA LYS A 33 40.904 30.167 7.498 1.00 0.00 H new ATOM 0 HB2 LYS A 33 38.192 30.127 8.926 1.00 0.00 H new ATOM 0 HB3 LYS A 33 38.552 31.169 7.563 1.00 0.00 H new ATOM 0 HG2 LYS A 33 39.057 28.178 7.323 1.00 0.00 H new ATOM 0 HG3 LYS A 33 37.423 28.787 7.149 1.00 0.00 H new ATOM 0 HD2 LYS A 33 38.261 30.399 5.369 1.00 0.00 H new ATOM 0 HD3 LYS A 33 39.848 29.667 5.498 1.00 0.00 H new ATOM 0 HE2 LYS A 33 37.258 28.280 4.651 1.00 0.00 H new ATOM 0 HE3 LYS A 33 38.658 28.590 3.644 1.00 0.00 H new ATOM 0 HZ1 LYS A 33 38.944 26.395 4.307 1.00 0.00 H new ATOM 0 HZ2 LYS A 33 39.924 27.228 5.415 1.00 0.00 H new ATOM 0 HZ3 LYS A 33 38.390 26.675 5.888 1.00 0.00 H new ATOM 541 N GLU A 34 40.196 31.535 10.431 1.00 0.00 N ATOM 542 CA GLU A 34 40.490 32.760 11.243 1.00 0.00 C ATOM 543 C GLU A 34 41.762 32.552 12.067 1.00 0.00 C ATOM 544 O GLU A 34 42.468 33.491 12.376 1.00 0.00 O ATOM 545 CB GLU A 34 39.311 33.043 12.178 1.00 0.00 C ATOM 546 CG GLU A 34 38.005 33.015 11.377 1.00 0.00 C ATOM 547 CD GLU A 34 38.089 34.007 10.215 1.00 0.00 C ATOM 548 OE1 GLU A 34 38.611 35.090 10.421 1.00 0.00 O ATOM 549 OE2 GLU A 34 37.631 33.666 9.136 1.00 0.00 O ATOM 0 H GLU A 34 39.653 30.816 10.910 1.00 0.00 H new ATOM 0 HA GLU A 34 40.638 33.607 10.573 1.00 0.00 H new ATOM 0 HB2 GLU A 34 39.278 32.299 12.974 1.00 0.00 H new ATOM 0 HB3 GLU A 34 39.437 34.015 12.655 1.00 0.00 H new ATOM 0 HG2 GLU A 34 37.822 32.010 10.997 1.00 0.00 H new ATOM 0 HG3 GLU A 34 37.165 33.269 12.024 1.00 0.00 H new ATOM 556 N GLY A 35 42.075 31.333 12.410 1.00 0.00 N ATOM 557 CA GLY A 35 43.318 31.072 13.195 1.00 0.00 C ATOM 558 C GLY A 35 43.086 31.311 14.694 1.00 0.00 C ATOM 559 O GLY A 35 44.012 31.270 15.479 1.00 0.00 O ATOM 0 H GLY A 35 41.525 30.505 12.181 1.00 0.00 H new ATOM 0 HA2 GLY A 35 43.645 30.045 13.034 1.00 0.00 H new ATOM 0 HA3 GLY A 35 44.119 31.721 12.840 1.00 0.00 H new ATOM 563 N ILE A 36 41.870 31.557 15.109 1.00 0.00 N ATOM 564 CA ILE A 36 41.617 31.787 16.566 1.00 0.00 C ATOM 565 C ILE A 36 41.379 30.428 17.259 1.00 0.00 C ATOM 566 O ILE A 36 40.411 29.758 16.956 1.00 0.00 O ATOM 567 CB ILE A 36 40.371 32.660 16.733 1.00 0.00 C ATOM 568 CG1 ILE A 36 40.515 33.919 15.875 1.00 0.00 C ATOM 569 CG2 ILE A 36 40.225 33.063 18.202 1.00 0.00 C ATOM 570 CD1 ILE A 36 39.237 34.755 15.973 1.00 0.00 C ATOM 0 H ILE A 36 41.047 31.609 14.509 1.00 0.00 H new ATOM 0 HA ILE A 36 42.477 32.286 17.013 1.00 0.00 H new ATOM 0 HB ILE A 36 39.490 32.101 16.418 1.00 0.00 H new ATOM 0 HG12 ILE A 36 41.371 34.504 16.211 1.00 0.00 H new ATOM 0 HG13 ILE A 36 40.704 33.645 14.837 1.00 0.00 H new ATOM 0 HG21 ILE A 36 39.338 33.685 18.322 1.00 0.00 H new ATOM 0 HG22 ILE A 36 40.127 32.168 18.817 1.00 0.00 H new ATOM 0 HG23 ILE A 36 41.106 33.623 18.515 1.00 0.00 H new ATOM 0 HD11 ILE A 36 39.341 35.651 15.362 1.00 0.00 H new ATOM 0 HD12 ILE A 36 38.390 34.168 15.616 1.00 0.00 H new ATOM 0 HD13 ILE A 36 39.068 35.041 17.011 1.00 0.00 H new ATOM 582 N PRO A 37 42.232 30.003 18.177 1.00 0.00 N ATOM 583 CA PRO A 37 42.046 28.692 18.874 1.00 0.00 C ATOM 584 C PRO A 37 40.609 28.514 19.411 1.00 0.00 C ATOM 585 O PRO A 37 39.969 29.466 19.811 1.00 0.00 O ATOM 586 CB PRO A 37 43.049 28.749 20.034 1.00 0.00 C ATOM 587 CG PRO A 37 44.132 29.661 19.559 1.00 0.00 C ATOM 588 CD PRO A 37 43.455 30.690 18.646 1.00 0.00 C ATOM 0 HA PRO A 37 42.207 27.850 18.201 1.00 0.00 H new ATOM 0 HB2 PRO A 37 42.582 29.130 20.942 1.00 0.00 H new ATOM 0 HB3 PRO A 37 43.440 27.759 20.268 1.00 0.00 H new ATOM 0 HG2 PRO A 37 44.625 30.151 20.399 1.00 0.00 H new ATOM 0 HG3 PRO A 37 44.899 29.106 19.019 1.00 0.00 H new ATOM 0 HD2 PRO A 37 43.216 31.606 19.186 1.00 0.00 H new ATOM 0 HD3 PRO A 37 44.100 30.970 17.813 1.00 0.00 H new ATOM 596 N PRO A 38 40.102 27.303 19.422 1.00 0.00 N ATOM 597 CA PRO A 38 38.717 27.020 19.908 1.00 0.00 C ATOM 598 C PRO A 38 38.582 27.196 21.424 1.00 0.00 C ATOM 599 O PRO A 38 37.514 27.484 21.931 1.00 0.00 O ATOM 600 CB PRO A 38 38.492 25.559 19.501 1.00 0.00 C ATOM 601 CG PRO A 38 39.854 24.977 19.535 1.00 0.00 C ATOM 602 CD PRO A 38 40.774 26.064 18.994 1.00 0.00 C ATOM 0 HA PRO A 38 37.984 27.707 19.485 1.00 0.00 H new ATOM 0 HB2 PRO A 38 37.820 25.049 20.191 1.00 0.00 H new ATOM 0 HB3 PRO A 38 38.047 25.483 18.509 1.00 0.00 H new ATOM 0 HG2 PRO A 38 40.135 24.694 20.550 1.00 0.00 H new ATOM 0 HG3 PRO A 38 39.911 24.075 18.925 1.00 0.00 H new ATOM 0 HD2 PRO A 38 41.779 25.986 19.407 1.00 0.00 H new ATOM 0 HD3 PRO A 38 40.870 26.010 17.910 1.00 0.00 H new ATOM 610 N ASP A 39 39.651 27.036 22.152 1.00 0.00 N ATOM 611 CA ASP A 39 39.572 27.196 23.627 1.00 0.00 C ATOM 612 C ASP A 39 39.500 28.677 23.986 1.00 0.00 C ATOM 613 O ASP A 39 39.417 29.031 25.145 1.00 0.00 O ATOM 614 CB ASP A 39 40.812 26.578 24.274 1.00 0.00 C ATOM 615 CG ASP A 39 40.958 25.126 23.818 1.00 0.00 C ATOM 616 OD1 ASP A 39 41.612 24.905 22.813 1.00 0.00 O ATOM 617 OD2 ASP A 39 40.414 24.259 24.482 1.00 0.00 O ATOM 0 H ASP A 39 40.575 26.802 21.788 1.00 0.00 H new ATOM 0 HA ASP A 39 38.677 26.693 23.993 1.00 0.00 H new ATOM 0 HB2 ASP A 39 41.700 27.147 23.999 1.00 0.00 H new ATOM 0 HB3 ASP A 39 40.728 26.622 25.360 1.00 0.00 H new ATOM 622 N GLN A 40 39.522 29.551 23.007 1.00 0.00 N ATOM 623 CA GLN A 40 39.449 31.015 23.296 1.00 0.00 C ATOM 624 C GLN A 40 38.074 31.555 22.881 1.00 0.00 C ATOM 625 O GLN A 40 37.817 32.739 22.976 1.00 0.00 O ATOM 626 CB GLN A 40 40.529 31.741 22.491 1.00 0.00 C ATOM 627 CG GLN A 40 41.917 31.276 22.940 1.00 0.00 C ATOM 628 CD GLN A 40 42.198 31.785 24.355 1.00 0.00 C ATOM 629 OE1 GLN A 40 42.271 31.012 25.289 1.00 0.00 O ATOM 630 NE2 GLN A 40 42.363 33.065 24.554 1.00 0.00 N ATOM 0 H GLN A 40 39.588 29.310 22.018 1.00 0.00 H new ATOM 0 HA GLN A 40 39.601 31.180 24.363 1.00 0.00 H new ATOM 0 HB2 GLN A 40 40.396 31.543 21.427 1.00 0.00 H new ATOM 0 HB3 GLN A 40 40.435 32.818 22.629 1.00 0.00 H new ATOM 0 HG2 GLN A 40 41.972 30.188 22.917 1.00 0.00 H new ATOM 0 HG3 GLN A 40 42.676 31.648 22.252 1.00 0.00 H new ATOM 0 HE21 GLN A 40 42.302 33.715 23.770 1.00 0.00 H new ATOM 0 HE22 GLN A 40 42.553 33.415 25.493 1.00 0.00 H new ATOM 639 N GLN A 41 37.188 30.708 22.399 1.00 0.00 N ATOM 640 CA GLN A 41 35.844 31.212 21.963 1.00 0.00 C ATOM 641 C GLN A 41 34.738 30.182 22.240 1.00 0.00 C ATOM 642 O GLN A 41 34.981 28.999 22.378 1.00 0.00 O ATOM 643 CB GLN A 41 35.898 31.515 20.468 1.00 0.00 C ATOM 644 CG GLN A 41 36.432 30.297 19.713 1.00 0.00 C ATOM 645 CD GLN A 41 36.506 30.622 18.219 1.00 0.00 C ATOM 646 OE1 GLN A 41 36.557 31.776 17.840 1.00 0.00 O ATOM 647 NE2 GLN A 41 36.516 29.650 17.349 1.00 0.00 N ATOM 0 H GLN A 41 37.336 29.705 22.290 1.00 0.00 H new ATOM 0 HA GLN A 41 35.608 32.113 22.530 1.00 0.00 H new ATOM 0 HB2 GLN A 41 34.904 31.773 20.104 1.00 0.00 H new ATOM 0 HB3 GLN A 41 36.539 32.378 20.285 1.00 0.00 H new ATOM 0 HG2 GLN A 41 37.419 30.026 20.088 1.00 0.00 H new ATOM 0 HG3 GLN A 41 35.782 29.438 19.879 1.00 0.00 H new ATOM 0 HE21 GLN A 41 36.473 28.681 17.666 1.00 0.00 H new ATOM 0 HE22 GLN A 41 36.567 29.859 16.352 1.00 0.00 H new ATOM 656 N ARG A 42 33.514 30.653 22.328 1.00 0.00 N ATOM 657 CA ARG A 42 32.343 29.756 22.605 1.00 0.00 C ATOM 658 C ARG A 42 31.261 30.049 21.551 1.00 0.00 C ATOM 659 O ARG A 42 30.793 31.165 21.411 1.00 0.00 O ATOM 660 CB ARG A 42 31.873 30.013 24.060 1.00 0.00 C ATOM 661 CG ARG A 42 33.094 29.749 24.945 1.00 0.00 C ATOM 662 CD ARG A 42 32.854 29.909 26.480 1.00 0.00 C ATOM 663 NE ARG A 42 31.466 30.357 26.871 1.00 0.00 N ATOM 664 CZ ARG A 42 31.301 31.228 27.867 1.00 0.00 C ATOM 665 NH1 ARG A 42 30.129 31.343 28.453 1.00 0.00 N ATOM 666 NH2 ARG A 42 32.285 32.015 28.238 1.00 0.00 N ATOM 0 H ARG A 42 33.273 31.638 22.218 1.00 0.00 H new ATOM 0 HA ARG A 42 32.594 28.698 22.529 1.00 0.00 H new ATOM 0 HB2 ARG A 42 31.516 31.036 24.181 1.00 0.00 H new ATOM 0 HB3 ARG A 42 31.047 29.354 24.326 1.00 0.00 H new ATOM 0 HG2 ARG A 42 33.449 28.736 24.753 1.00 0.00 H new ATOM 0 HG3 ARG A 42 33.892 30.428 24.646 1.00 0.00 H new ATOM 0 HD2 ARG A 42 33.061 28.955 26.965 1.00 0.00 H new ATOM 0 HD3 ARG A 42 33.574 30.628 26.871 1.00 0.00 H new ATOM 0 HE ARG A 42 30.654 29.993 26.373 1.00 0.00 H new ATOM 0 HH11 ARG A 42 29.346 30.766 28.146 1.00 0.00 H new ATOM 0 HH12 ARG A 42 30.003 32.009 29.215 1.00 0.00 H new ATOM 0 HH21 ARG A 42 33.186 31.963 27.763 1.00 0.00 H new ATOM 0 HH22 ARG A 42 32.148 32.678 29.001 1.00 0.00 H new ATOM 680 N LEU A 43 30.900 29.061 20.760 1.00 0.00 N ATOM 681 CA LEU A 43 29.896 29.282 19.671 1.00 0.00 C ATOM 682 C LEU A 43 28.479 29.061 20.199 1.00 0.00 C ATOM 683 O LEU A 43 28.097 27.967 20.580 1.00 0.00 O ATOM 684 CB LEU A 43 30.176 28.300 18.521 1.00 0.00 C ATOM 685 CG LEU A 43 31.585 28.552 17.939 1.00 0.00 C ATOM 686 CD1 LEU A 43 32.093 27.290 17.233 1.00 0.00 C ATOM 687 CD2 LEU A 43 31.542 29.699 16.922 1.00 0.00 C ATOM 0 H LEU A 43 31.260 28.109 20.824 1.00 0.00 H new ATOM 0 HA LEU A 43 29.978 30.308 19.313 1.00 0.00 H new ATOM 0 HB2 LEU A 43 30.101 27.274 18.882 1.00 0.00 H new ATOM 0 HB3 LEU A 43 29.425 28.419 17.740 1.00 0.00 H new ATOM 0 HG LEU A 43 32.253 28.814 18.759 1.00 0.00 H new ATOM 0 HD11 LEU A 43 33.087 27.476 16.826 1.00 0.00 H new ATOM 0 HD12 LEU A 43 32.142 26.468 17.947 1.00 0.00 H new ATOM 0 HD13 LEU A 43 31.412 27.027 16.423 1.00 0.00 H new ATOM 0 HD21 LEU A 43 32.541 29.866 16.520 1.00 0.00 H new ATOM 0 HD22 LEU A 43 30.862 29.440 16.110 1.00 0.00 H new ATOM 0 HD23 LEU A 43 31.192 30.607 17.412 1.00 0.00 H new ATOM 699 N ILE A 44 27.696 30.107 20.211 1.00 0.00 N ATOM 700 CA ILE A 44 26.291 30.013 20.698 1.00 0.00 C ATOM 701 C ILE A 44 25.340 30.142 19.504 1.00 0.00 C ATOM 702 O ILE A 44 25.589 30.883 18.573 1.00 0.00 O ATOM 703 CB ILE A 44 26.032 31.163 21.680 1.00 0.00 C ATOM 704 CG1 ILE A 44 26.840 30.946 22.972 1.00 0.00 C ATOM 705 CG2 ILE A 44 24.544 31.216 22.026 1.00 0.00 C ATOM 706 CD1 ILE A 44 28.349 31.113 22.718 1.00 0.00 C ATOM 0 H ILE A 44 27.976 31.037 19.899 1.00 0.00 H new ATOM 0 HA ILE A 44 26.128 29.057 21.195 1.00 0.00 H new ATOM 0 HB ILE A 44 26.338 32.100 21.214 1.00 0.00 H new ATOM 0 HG12 ILE A 44 26.515 31.657 23.731 1.00 0.00 H new ATOM 0 HG13 ILE A 44 26.643 29.949 23.365 1.00 0.00 H new ATOM 0 HG21 ILE A 44 24.362 32.033 22.724 1.00 0.00 H new ATOM 0 HG22 ILE A 44 23.965 31.379 21.117 1.00 0.00 H new ATOM 0 HG23 ILE A 44 24.243 30.274 22.484 1.00 0.00 H new ATOM 0 HD11 ILE A 44 28.894 30.954 23.648 1.00 0.00 H new ATOM 0 HD12 ILE A 44 28.676 30.384 21.977 1.00 0.00 H new ATOM 0 HD13 ILE A 44 28.547 32.119 22.349 1.00 0.00 H new ATOM 718 N PHE A 45 24.240 29.441 19.528 1.00 0.00 N ATOM 719 CA PHE A 45 23.260 29.537 18.405 1.00 0.00 C ATOM 720 C PHE A 45 21.857 29.353 18.974 1.00 0.00 C ATOM 721 O PHE A 45 21.613 28.466 19.766 1.00 0.00 O ATOM 722 CB PHE A 45 23.542 28.451 17.365 1.00 0.00 C ATOM 723 CG PHE A 45 22.448 28.462 16.323 1.00 0.00 C ATOM 724 CD1 PHE A 45 22.544 29.306 15.210 1.00 0.00 C ATOM 725 CD2 PHE A 45 21.330 27.635 16.479 1.00 0.00 C ATOM 726 CE1 PHE A 45 21.525 29.317 14.250 1.00 0.00 C ATOM 727 CE2 PHE A 45 20.311 27.645 15.519 1.00 0.00 C ATOM 728 CZ PHE A 45 20.407 28.488 14.406 1.00 0.00 C ATOM 0 H PHE A 45 23.975 28.803 20.279 1.00 0.00 H new ATOM 0 HA PHE A 45 23.346 30.510 17.921 1.00 0.00 H new ATOM 0 HB2 PHE A 45 24.510 28.624 16.895 1.00 0.00 H new ATOM 0 HB3 PHE A 45 23.592 27.474 17.846 1.00 0.00 H new ATOM 0 HD1 PHE A 45 23.404 29.948 15.092 1.00 0.00 H new ATOM 0 HD2 PHE A 45 21.253 26.988 17.341 1.00 0.00 H new ATOM 0 HE1 PHE A 45 21.601 29.965 13.389 1.00 0.00 H new ATOM 0 HE2 PHE A 45 19.451 27.002 15.637 1.00 0.00 H new ATOM 0 HZ PHE A 45 19.619 28.499 13.667 1.00 0.00 H new ATOM 738 N ALA A 46 20.938 30.195 18.591 1.00 0.00 N ATOM 739 CA ALA A 46 19.550 30.081 19.120 1.00 0.00 C ATOM 740 C ALA A 46 19.570 30.198 20.647 1.00 0.00 C ATOM 741 O ALA A 46 18.536 30.233 21.284 1.00 0.00 O ATOM 742 CB ALA A 46 18.952 28.731 18.718 1.00 0.00 C ATOM 0 H ALA A 46 21.089 30.959 17.933 1.00 0.00 H new ATOM 0 HA ALA A 46 18.941 30.883 18.703 1.00 0.00 H new ATOM 0 HB1 ALA A 46 17.937 28.652 19.107 1.00 0.00 H new ATOM 0 HB2 ALA A 46 18.931 28.651 17.631 1.00 0.00 H new ATOM 0 HB3 ALA A 46 19.562 27.926 19.129 1.00 0.00 H new ATOM 748 N GLY A 47 20.740 30.263 21.241 1.00 0.00 N ATOM 749 CA GLY A 47 20.840 30.385 22.727 1.00 0.00 C ATOM 750 C GLY A 47 21.386 29.086 23.332 1.00 0.00 C ATOM 751 O GLY A 47 21.282 28.874 24.523 1.00 0.00 O ATOM 0 H GLY A 47 21.635 30.236 20.753 1.00 0.00 H new ATOM 0 HA2 GLY A 47 21.493 31.218 22.987 1.00 0.00 H new ATOM 0 HA3 GLY A 47 19.859 30.606 23.147 1.00 0.00 H new ATOM 755 N LYS A 48 21.983 28.218 22.534 1.00 0.00 N ATOM 756 CA LYS A 48 22.548 26.940 23.089 1.00 0.00 C ATOM 757 C LYS A 48 24.042 26.880 22.815 1.00 0.00 C ATOM 758 O LYS A 48 24.526 27.313 21.789 1.00 0.00 O ATOM 759 CB LYS A 48 21.894 25.701 22.433 1.00 0.00 C ATOM 760 CG LYS A 48 20.550 25.384 23.106 1.00 0.00 C ATOM 761 CD LYS A 48 19.438 26.253 22.503 1.00 0.00 C ATOM 762 CE LYS A 48 18.213 26.245 23.422 1.00 0.00 C ATOM 763 NZ LYS A 48 18.426 27.202 24.544 1.00 0.00 N ATOM 0 H LYS A 48 22.101 28.341 21.528 1.00 0.00 H new ATOM 0 HA LYS A 48 22.345 26.929 24.160 1.00 0.00 H new ATOM 0 HB2 LYS A 48 21.741 25.883 21.369 1.00 0.00 H new ATOM 0 HB3 LYS A 48 22.561 24.843 22.517 1.00 0.00 H new ATOM 0 HG2 LYS A 48 20.309 24.329 22.975 1.00 0.00 H new ATOM 0 HG3 LYS A 48 20.621 25.564 24.179 1.00 0.00 H new ATOM 0 HD2 LYS A 48 19.795 27.274 22.368 1.00 0.00 H new ATOM 0 HD3 LYS A 48 19.166 25.878 21.517 1.00 0.00 H new ATOM 0 HE2 LYS A 48 17.321 26.521 22.859 1.00 0.00 H new ATOM 0 HE3 LYS A 48 18.045 25.241 23.813 1.00 0.00 H new ATOM 0 HZ1 LYS A 48 18.386 26.691 25.449 1.00 0.00 H new ATOM 0 HZ2 LYS A 48 19.357 27.654 24.443 1.00 0.00 H new ATOM 0 HZ3 LYS A 48 17.684 27.930 24.525 1.00 0.00 H new ATOM 777 N GLN A 49 24.766 26.314 23.733 1.00 0.00 N ATOM 778 CA GLN A 49 26.230 26.173 23.549 1.00 0.00 C ATOM 779 C GLN A 49 26.491 24.898 22.770 1.00 0.00 C ATOM 780 O GLN A 49 26.145 23.811 23.190 1.00 0.00 O ATOM 781 CB GLN A 49 26.928 26.107 24.898 1.00 0.00 C ATOM 782 CG GLN A 49 28.445 26.108 24.696 1.00 0.00 C ATOM 783 CD GLN A 49 29.140 25.859 26.037 1.00 0.00 C ATOM 784 OE1 GLN A 49 28.545 26.032 27.083 1.00 0.00 O ATOM 785 NE2 GLN A 49 30.381 25.458 26.051 1.00 0.00 N ATOM 0 H GLN A 49 24.403 25.940 24.610 1.00 0.00 H new ATOM 0 HA GLN A 49 26.619 27.034 23.006 1.00 0.00 H new ATOM 0 HB2 GLN A 49 26.633 26.957 25.513 1.00 0.00 H new ATOM 0 HB3 GLN A 49 26.623 25.207 25.432 1.00 0.00 H new ATOM 0 HG2 GLN A 49 28.727 25.337 23.979 1.00 0.00 H new ATOM 0 HG3 GLN A 49 28.766 27.063 24.280 1.00 0.00 H new ATOM 0 HE21 GLN A 49 30.880 25.313 25.173 1.00 0.00 H new ATOM 0 HE22 GLN A 49 30.853 25.289 26.940 1.00 0.00 H new ATOM 794 N LEU A 50 27.085 25.027 21.632 1.00 0.00 N ATOM 795 CA LEU A 50 27.360 23.824 20.799 1.00 0.00 C ATOM 796 C LEU A 50 28.401 22.935 21.496 1.00 0.00 C ATOM 797 O LEU A 50 29.542 23.318 21.649 1.00 0.00 O ATOM 798 CB LEU A 50 27.906 24.272 19.437 1.00 0.00 C ATOM 799 CG LEU A 50 27.007 25.363 18.840 1.00 0.00 C ATOM 800 CD1 LEU A 50 27.585 25.817 17.495 1.00 0.00 C ATOM 801 CD2 LEU A 50 25.591 24.812 18.627 1.00 0.00 C ATOM 0 H LEU A 50 27.396 25.913 21.234 1.00 0.00 H new ATOM 0 HA LEU A 50 26.438 23.258 20.663 1.00 0.00 H new ATOM 0 HB2 LEU A 50 28.922 24.649 19.550 1.00 0.00 H new ATOM 0 HB3 LEU A 50 27.956 23.420 18.759 1.00 0.00 H new ATOM 0 HG LEU A 50 26.963 26.209 19.526 1.00 0.00 H new ATOM 0 HD11 LEU A 50 26.948 26.592 17.068 1.00 0.00 H new ATOM 0 HD12 LEU A 50 28.589 26.214 17.646 1.00 0.00 H new ATOM 0 HD13 LEU A 50 27.629 24.968 16.813 1.00 0.00 H new ATOM 0 HD21 LEU A 50 24.957 25.591 18.203 1.00 0.00 H new ATOM 0 HD22 LEU A 50 25.630 23.964 17.944 1.00 0.00 H new ATOM 0 HD23 LEU A 50 25.179 24.489 19.583 1.00 0.00 H new ATOM 813 N GLU A 51 28.028 21.736 21.903 1.00 0.00 N ATOM 814 CA GLU A 51 29.036 20.837 22.563 1.00 0.00 C ATOM 815 C GLU A 51 29.727 19.989 21.489 1.00 0.00 C ATOM 816 O GLU A 51 29.195 19.742 20.417 1.00 0.00 O ATOM 817 CB GLU A 51 28.394 19.908 23.610 1.00 0.00 C ATOM 818 CG GLU A 51 27.352 20.661 24.439 1.00 0.00 C ATOM 819 CD GLU A 51 26.727 19.696 25.451 1.00 0.00 C ATOM 820 OE1 GLU A 51 26.949 18.504 25.316 1.00 0.00 O ATOM 821 OE2 GLU A 51 26.039 20.165 26.343 1.00 0.00 O ATOM 0 H GLU A 51 27.089 21.349 21.809 1.00 0.00 H new ATOM 0 HA GLU A 51 29.756 21.469 23.083 1.00 0.00 H new ATOM 0 HB2 GLU A 51 27.925 19.060 23.111 1.00 0.00 H new ATOM 0 HB3 GLU A 51 29.165 19.505 24.266 1.00 0.00 H new ATOM 0 HG2 GLU A 51 27.817 21.500 24.957 1.00 0.00 H new ATOM 0 HG3 GLU A 51 26.582 21.075 23.789 1.00 0.00 H new ATOM 828 N ASP A 52 30.917 19.556 21.771 1.00 0.00 N ATOM 829 CA ASP A 52 31.689 18.741 20.792 1.00 0.00 C ATOM 830 C ASP A 52 30.990 17.412 20.506 1.00 0.00 C ATOM 831 O ASP A 52 30.475 16.760 21.392 1.00 0.00 O ATOM 832 CB ASP A 52 33.071 18.465 21.382 1.00 0.00 C ATOM 833 CG ASP A 52 33.760 19.793 21.692 1.00 0.00 C ATOM 834 OD1 ASP A 52 33.804 20.632 20.808 1.00 0.00 O ATOM 835 OD2 ASP A 52 34.226 19.951 22.808 1.00 0.00 O ATOM 0 H ASP A 52 31.399 19.733 22.652 1.00 0.00 H new ATOM 0 HA ASP A 52 31.767 19.292 19.854 1.00 0.00 H new ATOM 0 HB2 ASP A 52 32.979 17.869 22.290 1.00 0.00 H new ATOM 0 HB3 ASP A 52 33.670 17.886 20.679 1.00 0.00 H new ATOM 840 N GLY A 53 31.007 16.991 19.268 1.00 0.00 N ATOM 841 CA GLY A 53 30.387 15.683 18.898 1.00 0.00 C ATOM 842 C GLY A 53 28.944 15.860 18.408 1.00 0.00 C ATOM 843 O GLY A 53 28.398 14.975 17.780 1.00 0.00 O ATOM 0 H GLY A 53 31.427 17.501 18.491 1.00 0.00 H new ATOM 0 HA2 GLY A 53 30.981 15.206 18.118 1.00 0.00 H new ATOM 0 HA3 GLY A 53 30.400 15.017 19.761 1.00 0.00 H new ATOM 847 N ARG A 54 28.302 16.975 18.674 1.00 0.00 N ATOM 848 CA ARG A 54 26.892 17.124 18.187 1.00 0.00 C ATOM 849 C ARG A 54 26.897 17.415 16.679 1.00 0.00 C ATOM 850 O ARG A 54 27.940 17.554 16.071 1.00 0.00 O ATOM 851 CB ARG A 54 26.177 18.267 18.920 1.00 0.00 C ATOM 852 CG ARG A 54 25.929 17.892 20.397 1.00 0.00 C ATOM 853 CD ARG A 54 25.351 19.099 21.187 1.00 0.00 C ATOM 854 NE ARG A 54 23.968 18.767 21.671 1.00 0.00 N ATOM 855 CZ ARG A 54 23.531 19.155 22.853 1.00 0.00 C ATOM 856 NH1 ARG A 54 22.250 19.031 23.127 1.00 0.00 N ATOM 857 NH2 ARG A 54 24.360 19.579 23.770 1.00 0.00 N ATOM 0 H ARG A 54 28.680 17.768 19.193 1.00 0.00 H new ATOM 0 HA ARG A 54 26.360 16.194 18.387 1.00 0.00 H new ATOM 0 HB2 ARG A 54 26.779 19.174 18.865 1.00 0.00 H new ATOM 0 HB3 ARG A 54 25.228 18.484 18.430 1.00 0.00 H new ATOM 0 HG2 ARG A 54 25.237 17.052 20.452 1.00 0.00 H new ATOM 0 HG3 ARG A 54 26.863 17.566 20.855 1.00 0.00 H new ATOM 0 HD2 ARG A 54 25.996 19.336 22.033 1.00 0.00 H new ATOM 0 HD3 ARG A 54 25.322 19.983 20.550 1.00 0.00 H new ATOM 0 HE ARG A 54 23.349 18.226 21.068 1.00 0.00 H new ATOM 0 HH11 ARG A 54 21.615 18.641 22.431 1.00 0.00 H new ATOM 0 HH12 ARG A 54 21.892 19.325 24.036 1.00 0.00 H new ATOM 0 HH21 ARG A 54 25.361 19.613 23.576 1.00 0.00 H new ATOM 0 HH22 ARG A 54 24.006 19.876 24.679 1.00 0.00 H new ATOM 871 N THR A 55 25.731 17.506 16.075 1.00 0.00 N ATOM 872 CA THR A 55 25.644 17.782 14.598 1.00 0.00 C ATOM 873 C THR A 55 24.818 19.046 14.334 1.00 0.00 C ATOM 874 O THR A 55 23.888 19.358 15.052 1.00 0.00 O ATOM 875 CB THR A 55 24.969 16.593 13.911 1.00 0.00 C ATOM 876 OG1 THR A 55 25.661 15.400 14.252 1.00 0.00 O ATOM 877 CG2 THR A 55 24.996 16.784 12.395 1.00 0.00 C ATOM 0 H THR A 55 24.831 17.401 16.543 1.00 0.00 H new ATOM 0 HA THR A 55 26.650 17.930 14.205 1.00 0.00 H new ATOM 0 HB THR A 55 23.933 16.525 14.243 1.00 0.00 H new ATOM 0 HG1 THR A 55 25.230 14.636 13.815 1.00 0.00 H new ATOM 0 HG21 THR A 55 24.514 15.934 11.913 1.00 0.00 H new ATOM 0 HG22 THR A 55 24.464 17.699 12.134 1.00 0.00 H new ATOM 0 HG23 THR A 55 26.029 16.856 12.056 1.00 0.00 H new ATOM 885 N LEU A 56 25.155 19.775 13.300 1.00 0.00 N ATOM 886 CA LEU A 56 24.391 21.021 12.981 1.00 0.00 C ATOM 887 C LEU A 56 22.901 20.687 12.825 1.00 0.00 C ATOM 888 O LEU A 56 22.042 21.412 13.283 1.00 0.00 O ATOM 889 CB LEU A 56 24.911 21.629 11.668 1.00 0.00 C ATOM 890 CG LEU A 56 26.247 22.360 11.901 1.00 0.00 C ATOM 891 CD1 LEU A 56 27.007 22.462 10.575 1.00 0.00 C ATOM 892 CD2 LEU A 56 25.997 23.778 12.426 1.00 0.00 C ATOM 0 H LEU A 56 25.924 19.563 12.664 1.00 0.00 H new ATOM 0 HA LEU A 56 24.524 21.737 13.792 1.00 0.00 H new ATOM 0 HB2 LEU A 56 25.045 20.843 10.925 1.00 0.00 H new ATOM 0 HB3 LEU A 56 24.175 22.325 11.266 1.00 0.00 H new ATOM 0 HG LEU A 56 26.827 21.798 12.633 1.00 0.00 H new ATOM 0 HD11 LEU A 56 27.953 22.979 10.737 1.00 0.00 H new ATOM 0 HD12 LEU A 56 27.202 21.461 10.189 1.00 0.00 H new ATOM 0 HD13 LEU A 56 26.408 23.019 9.854 1.00 0.00 H new ATOM 0 HD21 LEU A 56 26.951 24.280 12.585 1.00 0.00 H new ATOM 0 HD22 LEU A 56 25.409 24.337 11.698 1.00 0.00 H new ATOM 0 HD23 LEU A 56 25.452 23.726 13.369 1.00 0.00 H new ATOM 904 N SER A 57 22.590 19.596 12.183 1.00 0.00 N ATOM 905 CA SER A 57 21.156 19.224 12.004 1.00 0.00 C ATOM 906 C SER A 57 20.501 19.041 13.379 1.00 0.00 C ATOM 907 O SER A 57 19.329 19.310 13.559 1.00 0.00 O ATOM 908 CB SER A 57 21.058 17.918 11.215 1.00 0.00 C ATOM 909 OG SER A 57 21.707 16.882 11.939 1.00 0.00 O ATOM 0 H SER A 57 23.263 18.947 11.775 1.00 0.00 H new ATOM 0 HA SER A 57 20.643 20.015 11.457 1.00 0.00 H new ATOM 0 HB2 SER A 57 20.013 17.659 11.046 1.00 0.00 H new ATOM 0 HB3 SER A 57 21.520 18.036 10.235 1.00 0.00 H new ATOM 0 HG SER A 57 21.644 16.043 11.437 1.00 0.00 H new ATOM 915 N ASP A 58 21.249 18.565 14.337 1.00 0.00 N ATOM 916 CA ASP A 58 20.677 18.341 15.697 1.00 0.00 C ATOM 917 C ASP A 58 20.055 19.638 16.215 1.00 0.00 C ATOM 918 O ASP A 58 19.235 19.629 17.112 1.00 0.00 O ATOM 919 CB ASP A 58 21.786 17.888 16.651 1.00 0.00 C ATOM 920 CG ASP A 58 21.171 17.476 17.991 1.00 0.00 C ATOM 921 OD1 ASP A 58 20.486 16.468 18.020 1.00 0.00 O ATOM 922 OD2 ASP A 58 21.396 18.176 18.963 1.00 0.00 O ATOM 0 H ASP A 58 22.234 18.321 14.237 1.00 0.00 H new ATOM 0 HA ASP A 58 19.908 17.570 15.642 1.00 0.00 H new ATOM 0 HB2 ASP A 58 22.334 17.051 16.218 1.00 0.00 H new ATOM 0 HB3 ASP A 58 22.503 18.695 16.801 1.00 0.00 H new ATOM 927 N TYR A 59 20.445 20.755 15.658 1.00 0.00 N ATOM 928 CA TYR A 59 19.893 22.071 16.112 1.00 0.00 C ATOM 929 C TYR A 59 18.855 22.583 15.105 1.00 0.00 C ATOM 930 O TYR A 59 18.334 23.671 15.248 1.00 0.00 O ATOM 931 CB TYR A 59 21.047 23.080 16.218 1.00 0.00 C ATOM 932 CG TYR A 59 21.738 22.938 17.556 1.00 0.00 C ATOM 933 CD1 TYR A 59 23.008 22.353 17.635 1.00 0.00 C ATOM 934 CD2 TYR A 59 21.111 23.413 18.713 1.00 0.00 C ATOM 935 CE1 TYR A 59 23.647 22.241 18.878 1.00 0.00 C ATOM 936 CE2 TYR A 59 21.749 23.295 19.953 1.00 0.00 C ATOM 937 CZ TYR A 59 23.016 22.712 20.035 1.00 0.00 C ATOM 938 OH TYR A 59 23.648 22.602 21.258 1.00 0.00 O ATOM 0 H TYR A 59 21.127 20.815 14.902 1.00 0.00 H new ATOM 0 HA TYR A 59 19.411 21.949 17.082 1.00 0.00 H new ATOM 0 HB2 TYR A 59 21.761 22.914 15.411 1.00 0.00 H new ATOM 0 HB3 TYR A 59 20.666 24.095 16.102 1.00 0.00 H new ATOM 0 HD1 TYR A 59 23.494 21.989 16.741 1.00 0.00 H new ATOM 0 HD2 TYR A 59 20.135 23.871 18.649 1.00 0.00 H new ATOM 0 HE1 TYR A 59 24.627 21.791 18.943 1.00 0.00 H new ATOM 0 HE2 TYR A 59 21.262 23.655 20.847 1.00 0.00 H new ATOM 0 HH TYR A 59 24.522 22.175 21.137 1.00 0.00 H new ATOM 948 N ASN A 60 18.546 21.822 14.093 1.00 0.00 N ATOM 949 CA ASN A 60 17.537 22.291 13.097 1.00 0.00 C ATOM 950 C ASN A 60 17.876 23.719 12.654 1.00 0.00 C ATOM 951 O ASN A 60 17.026 24.585 12.608 1.00 0.00 O ATOM 952 CB ASN A 60 16.145 22.267 13.730 1.00 0.00 C ATOM 953 CG ASN A 60 15.754 20.821 14.047 1.00 0.00 C ATOM 954 OD1 ASN A 60 15.933 20.358 15.155 1.00 0.00 O ATOM 955 ND2 ASN A 60 15.223 20.082 13.111 1.00 0.00 N ATOM 0 H ASN A 60 18.944 20.901 13.911 1.00 0.00 H new ATOM 0 HA ASN A 60 17.552 21.632 12.229 1.00 0.00 H new ATOM 0 HB2 ASN A 60 16.138 22.865 14.641 1.00 0.00 H new ATOM 0 HB3 ASN A 60 15.417 22.711 13.051 1.00 0.00 H new ATOM 0 HD21 ASN A 60 14.959 19.117 13.311 1.00 0.00 H new ATOM 0 HD22 ASN A 60 15.072 20.469 12.180 1.00 0.00 H new ATOM 962 N ILE A 61 19.115 23.965 12.329 1.00 0.00 N ATOM 963 CA ILE A 61 19.526 25.331 11.888 1.00 0.00 C ATOM 964 C ILE A 61 18.910 25.626 10.513 1.00 0.00 C ATOM 965 O ILE A 61 18.236 24.794 9.940 1.00 0.00 O ATOM 966 CB ILE A 61 21.060 25.379 11.826 1.00 0.00 C ATOM 967 CG1 ILE A 61 21.611 25.156 13.239 1.00 0.00 C ATOM 968 CG2 ILE A 61 21.542 26.738 11.300 1.00 0.00 C ATOM 969 CD1 ILE A 61 23.109 24.868 13.168 1.00 0.00 C ATOM 0 H ILE A 61 19.866 23.275 12.350 1.00 0.00 H new ATOM 0 HA ILE A 61 19.173 26.088 12.589 1.00 0.00 H new ATOM 0 HB ILE A 61 21.416 24.603 11.148 1.00 0.00 H new ATOM 0 HG12 ILE A 61 21.429 26.037 13.854 1.00 0.00 H new ATOM 0 HG13 ILE A 61 21.093 24.323 13.715 1.00 0.00 H new ATOM 0 HG21 ILE A 61 22.631 26.749 11.265 1.00 0.00 H new ATOM 0 HG22 ILE A 61 21.145 26.902 10.298 1.00 0.00 H new ATOM 0 HG23 ILE A 61 21.193 27.529 11.963 1.00 0.00 H new ATOM 0 HD11 ILE A 61 23.497 24.710 14.174 1.00 0.00 H new ATOM 0 HD12 ILE A 61 23.280 23.974 12.569 1.00 0.00 H new ATOM 0 HD13 ILE A 61 23.621 25.714 12.710 1.00 0.00 H new ATOM 981 N GLN A 62 19.131 26.806 9.980 1.00 0.00 N ATOM 982 CA GLN A 62 18.555 27.161 8.642 1.00 0.00 C ATOM 983 C GLN A 62 19.621 27.855 7.785 1.00 0.00 C ATOM 984 O GLN A 62 20.396 28.669 8.257 1.00 0.00 O ATOM 985 CB GLN A 62 17.359 28.097 8.836 1.00 0.00 C ATOM 986 CG GLN A 62 16.574 28.210 7.526 1.00 0.00 C ATOM 987 CD GLN A 62 15.877 26.880 7.224 1.00 0.00 C ATOM 988 OE1 GLN A 62 16.176 26.235 6.239 1.00 0.00 O ATOM 989 NE2 GLN A 62 14.954 26.440 8.036 1.00 0.00 N ATOM 0 H GLN A 62 19.688 27.541 10.416 1.00 0.00 H new ATOM 0 HA GLN A 62 18.228 26.253 8.136 1.00 0.00 H new ATOM 0 HB2 GLN A 62 16.712 27.717 9.627 1.00 0.00 H new ATOM 0 HB3 GLN A 62 17.703 29.082 9.151 1.00 0.00 H new ATOM 0 HG2 GLN A 62 15.836 29.009 7.601 1.00 0.00 H new ATOM 0 HG3 GLN A 62 17.247 28.472 6.709 1.00 0.00 H new ATOM 0 HE21 GLN A 62 14.702 26.981 8.863 1.00 0.00 H new ATOM 0 HE22 GLN A 62 14.485 25.555 7.843 1.00 0.00 H new ATOM 998 N LYS A 63 19.674 27.519 6.525 1.00 0.00 N ATOM 999 CA LYS A 63 20.690 28.131 5.627 1.00 0.00 C ATOM 1000 C LYS A 63 20.636 29.658 5.716 1.00 0.00 C ATOM 1001 O LYS A 63 19.591 30.252 5.898 1.00 0.00 O ATOM 1002 CB LYS A 63 20.423 27.694 4.184 1.00 0.00 C ATOM 1003 CG LYS A 63 18.943 27.894 3.846 1.00 0.00 C ATOM 1004 CD LYS A 63 18.740 27.772 2.332 1.00 0.00 C ATOM 1005 CE LYS A 63 19.063 26.346 1.878 1.00 0.00 C ATOM 1006 NZ LYS A 63 18.508 26.120 0.513 1.00 0.00 N ATOM 0 H LYS A 63 19.054 26.844 6.078 1.00 0.00 H new ATOM 0 HA LYS A 63 21.680 27.797 5.938 1.00 0.00 H new ATOM 0 HB2 LYS A 63 21.043 28.272 3.499 1.00 0.00 H new ATOM 0 HB3 LYS A 63 20.696 26.647 4.055 1.00 0.00 H new ATOM 0 HG2 LYS A 63 18.337 27.151 4.365 1.00 0.00 H new ATOM 0 HG3 LYS A 63 18.610 28.873 4.190 1.00 0.00 H new ATOM 0 HD2 LYS A 63 17.711 28.022 2.073 1.00 0.00 H new ATOM 0 HD3 LYS A 63 19.381 28.483 1.811 1.00 0.00 H new ATOM 0 HE2 LYS A 63 20.142 26.190 1.874 1.00 0.00 H new ATOM 0 HE3 LYS A 63 18.640 25.626 2.578 1.00 0.00 H new ATOM 0 HZ1 LYS A 63 18.728 25.151 0.205 1.00 0.00 H new ATOM 0 HZ2 LYS A 63 17.477 26.252 0.531 1.00 0.00 H new ATOM 0 HZ3 LYS A 63 18.932 26.799 -0.151 1.00 0.00 H new ATOM 1020 N GLU A 64 21.768 30.289 5.571 1.00 0.00 N ATOM 1021 CA GLU A 64 21.833 31.775 5.624 1.00 0.00 C ATOM 1022 C GLU A 64 21.509 32.286 7.034 1.00 0.00 C ATOM 1023 O GLU A 64 21.220 33.451 7.219 1.00 0.00 O ATOM 1024 CB GLU A 64 20.843 32.378 4.611 1.00 0.00 C ATOM 1025 CG GLU A 64 21.312 33.781 4.201 1.00 0.00 C ATOM 1026 CD GLU A 64 20.241 34.453 3.339 1.00 0.00 C ATOM 1027 OE1 GLU A 64 19.340 35.049 3.907 1.00 0.00 O ATOM 1028 OE2 GLU A 64 20.342 34.364 2.127 1.00 0.00 O ATOM 0 H GLU A 64 22.665 29.829 5.415 1.00 0.00 H new ATOM 0 HA GLU A 64 22.847 32.084 5.370 1.00 0.00 H new ATOM 0 HB2 GLU A 64 20.771 31.737 3.732 1.00 0.00 H new ATOM 0 HB3 GLU A 64 19.846 32.431 5.049 1.00 0.00 H new ATOM 0 HG2 GLU A 64 21.508 34.383 5.088 1.00 0.00 H new ATOM 0 HG3 GLU A 64 22.249 33.714 3.647 1.00 0.00 H new ATOM 1066 N LEU A 67 25.344 32.941 13.100 1.00 0.00 N ATOM 1067 CA LEU A 67 25.774 32.317 14.387 1.00 0.00 C ATOM 1068 C LEU A 67 26.349 33.408 15.297 1.00 0.00 C ATOM 1069 O LEU A 67 26.783 34.446 14.838 1.00 0.00 O ATOM 1070 CB LEU A 67 26.859 31.265 14.110 1.00 0.00 C ATOM 1071 CG LEU A 67 26.213 29.961 13.639 1.00 0.00 C ATOM 1072 CD1 LEU A 67 25.327 30.235 12.421 1.00 0.00 C ATOM 1073 CD2 LEU A 67 27.307 28.959 13.258 1.00 0.00 C ATOM 0 HA LEU A 67 24.921 31.839 14.869 1.00 0.00 H new ATOM 0 HB2 LEU A 67 27.550 31.633 13.351 1.00 0.00 H new ATOM 0 HB3 LEU A 67 27.443 31.086 15.013 1.00 0.00 H new ATOM 0 HG LEU A 67 25.604 29.549 14.443 1.00 0.00 H new ATOM 0 HD11 LEU A 67 24.868 29.304 12.088 1.00 0.00 H new ATOM 0 HD12 LEU A 67 24.547 30.947 12.691 1.00 0.00 H new ATOM 0 HD13 LEU A 67 25.934 30.649 11.616 1.00 0.00 H new ATOM 0 HD21 LEU A 67 26.848 28.029 12.922 1.00 0.00 H new ATOM 0 HD22 LEU A 67 27.916 29.374 12.455 1.00 0.00 H new ATOM 0 HD23 LEU A 67 27.936 28.760 14.125 1.00 0.00 H new ATOM 1085 N HIS A 68 26.355 33.170 16.584 1.00 0.00 N ATOM 1086 CA HIS A 68 26.903 34.177 17.547 1.00 0.00 C ATOM 1087 C HIS A 68 28.233 33.675 18.091 1.00 0.00 C ATOM 1088 O HIS A 68 28.340 32.544 18.527 1.00 0.00 O ATOM 1089 CB HIS A 68 25.936 34.355 18.716 1.00 0.00 C ATOM 1090 CG HIS A 68 24.528 34.460 18.196 1.00 0.00 C ATOM 1091 ND1 HIS A 68 23.690 33.359 18.091 1.00 0.00 N ATOM 1092 CD2 HIS A 68 23.796 35.532 17.745 1.00 0.00 C ATOM 1093 CE1 HIS A 68 22.514 33.789 17.596 1.00 0.00 C ATOM 1094 NE2 HIS A 68 22.529 35.104 17.369 1.00 0.00 N ATOM 0 H HIS A 68 26.001 32.315 17.013 1.00 0.00 H new ATOM 0 HA HIS A 68 27.038 35.128 17.032 1.00 0.00 H new ATOM 0 HB2 HIS A 68 26.019 33.511 19.401 1.00 0.00 H new ATOM 0 HB3 HIS A 68 26.193 35.251 19.281 1.00 0.00 H new ATOM 0 HD2 HIS A 68 24.151 36.551 17.691 1.00 0.00 H new ATOM 0 HE1 HIS A 68 21.665 33.150 17.406 1.00 0.00 H new ATOM 0 HE2 HIS A 68 21.770 35.675 16.997 1.00 0.00 H new ATOM 1103 N LEU A 69 29.249 34.501 18.074 1.00 0.00 N ATOM 1104 CA LEU A 69 30.583 34.071 18.597 1.00 0.00 C ATOM 1105 C LEU A 69 30.955 34.925 19.813 1.00 0.00 C ATOM 1106 O LEU A 69 31.111 36.126 19.719 1.00 0.00 O ATOM 1107 CB LEU A 69 31.634 34.249 17.491 1.00 0.00 C ATOM 1108 CG LEU A 69 32.900 33.434 17.810 1.00 0.00 C ATOM 1109 CD1 LEU A 69 33.792 33.389 16.566 1.00 0.00 C ATOM 1110 CD2 LEU A 69 33.677 34.075 18.975 1.00 0.00 C ATOM 0 H LEU A 69 29.212 35.457 17.720 1.00 0.00 H new ATOM 0 HA LEU A 69 30.544 33.024 18.898 1.00 0.00 H new ATOM 0 HB2 LEU A 69 31.221 33.929 16.534 1.00 0.00 H new ATOM 0 HB3 LEU A 69 31.890 35.304 17.391 1.00 0.00 H new ATOM 0 HG LEU A 69 32.609 32.424 18.100 1.00 0.00 H new ATOM 0 HD11 LEU A 69 34.691 32.813 16.784 1.00 0.00 H new ATOM 0 HD12 LEU A 69 33.249 32.918 15.746 1.00 0.00 H new ATOM 0 HD13 LEU A 69 34.071 34.404 16.281 1.00 0.00 H new ATOM 0 HD21 LEU A 69 34.569 33.485 19.186 1.00 0.00 H new ATOM 0 HD22 LEU A 69 33.969 35.089 18.703 1.00 0.00 H new ATOM 0 HD23 LEU A 69 33.044 34.105 19.862 1.00 0.00 H new ATOM 1122 N VAL A 70 31.105 34.299 20.956 1.00 0.00 N ATOM 1123 CA VAL A 70 31.477 35.041 22.204 1.00 0.00 C ATOM 1124 C VAL A 70 32.913 34.669 22.587 1.00 0.00 C ATOM 1125 O VAL A 70 33.345 33.554 22.377 1.00 0.00 O ATOM 1126 CB VAL A 70 30.523 34.638 23.328 1.00 0.00 C ATOM 1127 CG1 VAL A 70 30.859 35.432 24.591 1.00 0.00 C ATOM 1128 CG2 VAL A 70 29.082 34.938 22.905 1.00 0.00 C ATOM 0 H VAL A 70 30.984 33.294 21.079 1.00 0.00 H new ATOM 0 HA VAL A 70 31.407 36.116 22.040 1.00 0.00 H new ATOM 0 HB VAL A 70 30.629 33.572 23.530 1.00 0.00 H new ATOM 0 HG11 VAL A 70 30.179 35.145 25.393 1.00 0.00 H new ATOM 0 HG12 VAL A 70 31.885 35.220 24.892 1.00 0.00 H new ATOM 0 HG13 VAL A 70 30.753 36.498 24.390 1.00 0.00 H new ATOM 0 HG21 VAL A 70 28.400 34.651 23.706 1.00 0.00 H new ATOM 0 HG22 VAL A 70 28.976 36.004 22.703 1.00 0.00 H new ATOM 0 HG23 VAL A 70 28.842 34.373 22.004 1.00 0.00 H new ATOM 1138 N LEU A 71 33.672 35.596 23.122 1.00 0.00 N ATOM 1139 CA LEU A 71 35.094 35.286 23.484 1.00 0.00 C ATOM 1140 C LEU A 71 35.205 34.861 24.951 1.00 0.00 C ATOM 1141 O LEU A 71 34.350 35.135 25.767 1.00 0.00 O ATOM 1142 CB LEU A 71 35.961 36.535 23.255 1.00 0.00 C ATOM 1143 CG LEU A 71 36.379 36.611 21.785 1.00 0.00 C ATOM 1144 CD1 LEU A 71 35.133 36.569 20.903 1.00 0.00 C ATOM 1145 CD2 LEU A 71 37.141 37.914 21.529 1.00 0.00 C ATOM 0 H LEU A 71 33.371 36.550 23.323 1.00 0.00 H new ATOM 0 HA LEU A 71 35.439 34.465 22.856 1.00 0.00 H new ATOM 0 HB2 LEU A 71 35.405 37.431 23.532 1.00 0.00 H new ATOM 0 HB3 LEU A 71 36.844 36.498 23.893 1.00 0.00 H new ATOM 0 HG LEU A 71 37.025 35.765 21.549 1.00 0.00 H new ATOM 0 HD11 LEU A 71 35.427 36.623 19.855 1.00 0.00 H new ATOM 0 HD12 LEU A 71 34.593 35.639 21.081 1.00 0.00 H new ATOM 0 HD13 LEU A 71 34.489 37.415 21.143 1.00 0.00 H new ATOM 0 HD21 LEU A 71 37.436 37.963 20.481 1.00 0.00 H new ATOM 0 HD22 LEU A 71 36.500 38.763 21.765 1.00 0.00 H new ATOM 0 HD23 LEU A 71 38.030 37.945 22.158 1.00 0.00 H new