USER MOD reduce.3.24.130724 H: found=0, std=0, add=587, rem=0, adj=15 USER MOD reduce.3.24.130724 removed 586 hydrogens (0 hets) USER MOD ----------------------------------------------------------------- USER MOD scores for adjustable sidechains, with "set" totals for H,N and Q USER MOD "o" means original, "f" means flipped, "180deg" is methyl default USER MOD "!" flags a clash with an overlap of 0.40A or greater USER MOD flip categories: "K"=keep, "C"=clashes, "X"=uncertain, "F"=flip USER MOD Single : A 1 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Single : A 1 MET N :NH3+ 154:sc= 2.51 (180deg=1.13) USER MOD Single : A 2 GLN : amide:sc= -0.447 K(o=-0.45,f=-5.7!) USER MOD Single : A 6 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 7 THR OG1 : rot 180:sc= 0 USER MOD Single : A 9 THR OG1 : rot 180:sc= -0.0889 USER MOD Single : A 11 LYS NZ :NH3+ 180:sc= 1.08 (180deg=1.08) USER MOD Single : A 12 THR OG1 : rot 180:sc= -0.0388 USER MOD Single : A 14 THR OG1 : rot 54:sc= 1.12 USER MOD Single : A 20 SER OG : rot 180:sc= 0 USER MOD Single : A 22 THR OG1 : rot -170:sc= 0.842 USER MOD Single : A 25 ASN : amide:sc= -0.707 K(o=-0.71,f=0) USER MOD Single : A 27 LYS NZ :NH3+ 145:sc= 1.49 (180deg=0.797) USER MOD Single : A 29 LYS NZ :NH3+ -117:sc= 1.08 (180deg=-0.58) USER MOD Single : A 31 GLN : amide:sc= 0 X(o=0,f=-0.2) USER MOD Single : A 33 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 40 GLN : amide:sc= 0 X(o=0,f=-0.46) USER MOD Single : A 41 GLN : amide:sc= -0.388 K(o=-0.39,f=-3.4!) USER MOD Single : A 48 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 49 GLN : amide:sc= -0.201 K(o=-0.2,f=-2.6!) USER MOD Single : A 55 THR OG1 : rot -57:sc= 0.255 USER MOD Single : A 57 SER OG : rot 180:sc= 0 USER MOD Single : A 59 TYR OH : rot -147:sc= 1.26 USER MOD Single : A 60 ASN : amide:sc= 0 K(o=0,f=-1.2) USER MOD Single : A 62 GLN : amide:sc= -0.801 K(o=-0.8,f=0) USER MOD Single : A 63 LYS NZ :NH3+ -145:sc= 1.11 (180deg=0.172!) USER MOD Single : A 65 SER OG : rot 80:sc= 0.898 USER MOD Single : A 66 THR OG1 : rot 180:sc= 0 USER MOD Single : A 68 HIS : no HD1:sc= -0.146 X(o=-0.15,f=-0.005) USER MOD ----------------------------------------------------------------- ATOM 1 N MET A 1 13.300 30.632 16.183 1.00 0.00 N ATOM 2 CA MET A 1 13.231 30.344 17.624 1.00 0.00 C ATOM 3 C MET A 1 14.576 30.732 18.234 1.00 0.00 C ATOM 4 O MET A 1 15.579 30.499 17.558 1.00 0.00 O ATOM 5 CB MET A 1 12.856 28.893 17.923 1.00 0.00 C ATOM 6 CG MET A 1 12.709 28.554 19.412 1.00 0.00 C ATOM 7 SD MET A 1 13.417 26.915 19.727 1.00 0.00 S ATOM 8 CE MET A 1 15.181 27.192 20.012 1.00 0.00 C ATOM 0 H1 MET A 1 12.637 30.014 15.673 1.00 0.00 H new ATOM 0 H2 MET A 1 13.045 31.626 16.015 1.00 0.00 H new ATOM 0 H3 MET A 1 14.267 30.460 15.840 1.00 0.00 H new ATOM 0 HA MET A 1 12.430 30.930 18.075 1.00 0.00 H new ATOM 0 HB2 MET A 1 11.916 28.665 17.420 1.00 0.00 H new ATOM 0 HB3 MET A 1 13.615 28.241 17.491 1.00 0.00 H new ATOM 0 HG2 MET A 1 13.216 29.304 20.019 1.00 0.00 H new ATOM 0 HG3 MET A 1 11.657 28.569 19.698 1.00 0.00 H new ATOM 0 HE1 MET A 1 15.672 26.239 20.209 1.00 0.00 H new ATOM 0 HE2 MET A 1 15.624 27.652 19.129 1.00 0.00 H new ATOM 0 HE3 MET A 1 15.312 27.852 20.870 1.00 0.00 H new ATOM 20 N GLN A 2 14.607 31.476 19.330 1.00 0.00 N ATOM 21 CA GLN A 2 15.755 32.307 19.641 1.00 0.00 C ATOM 22 C GLN A 2 16.542 31.508 20.683 1.00 0.00 C ATOM 23 O GLN A 2 15.965 30.990 21.639 1.00 0.00 O ATOM 24 CB GLN A 2 15.219 33.602 20.245 1.00 0.00 C ATOM 25 CG GLN A 2 14.598 34.575 19.247 1.00 0.00 C ATOM 26 CD GLN A 2 13.084 34.442 19.169 1.00 0.00 C ATOM 27 OE1 GLN A 2 12.512 33.386 19.439 1.00 0.00 O ATOM 28 NE2 GLN A 2 12.306 35.509 18.996 1.00 0.00 N ATOM 0 H GLN A 2 13.852 31.520 20.015 1.00 0.00 H new ATOM 0 HA GLN A 2 16.381 32.552 18.783 1.00 0.00 H new ATOM 0 HB2 GLN A 2 14.471 33.351 20.997 1.00 0.00 H new ATOM 0 HB3 GLN A 2 16.034 34.108 20.762 1.00 0.00 H new ATOM 0 HG2 GLN A 2 14.856 35.595 19.531 1.00 0.00 H new ATOM 0 HG3 GLN A 2 15.026 34.401 18.260 1.00 0.00 H new ATOM 0 HE21 GLN A 2 12.722 36.412 18.770 1.00 0.00 H new ATOM 0 HE22 GLN A 2 11.294 35.423 19.089 1.00 0.00 H new ATOM 37 N ILE A 3 17.861 31.419 20.506 1.00 0.00 N ATOM 38 CA ILE A 3 18.712 30.740 21.449 1.00 0.00 C ATOM 39 C ILE A 3 19.682 31.787 22.023 1.00 0.00 C ATOM 40 O ILE A 3 20.144 32.662 21.301 1.00 0.00 O ATOM 41 CB ILE A 3 19.537 29.581 20.904 1.00 0.00 C ATOM 42 CG1 ILE A 3 20.474 29.881 19.732 1.00 0.00 C ATOM 43 CG2 ILE A 3 18.679 28.329 20.716 1.00 0.00 C ATOM 44 CD1 ILE A 3 21.492 28.790 19.393 1.00 0.00 C ATOM 0 H ILE A 3 18.354 31.817 19.707 1.00 0.00 H new ATOM 0 HA ILE A 3 18.044 30.290 22.184 1.00 0.00 H new ATOM 0 HB ILE A 3 20.263 29.376 21.691 1.00 0.00 H new ATOM 0 HG12 ILE A 3 19.867 30.072 18.847 1.00 0.00 H new ATOM 0 HG13 ILE A 3 21.016 30.801 19.952 1.00 0.00 H new ATOM 0 HG21 ILE A 3 19.297 27.520 20.326 1.00 0.00 H new ATOM 0 HG22 ILE A 3 18.254 28.032 21.675 1.00 0.00 H new ATOM 0 HG23 ILE A 3 17.874 28.542 20.013 1.00 0.00 H new ATOM 0 HD11 ILE A 3 22.101 29.111 18.548 1.00 0.00 H new ATOM 0 HD12 ILE A 3 22.134 28.610 20.256 1.00 0.00 H new ATOM 0 HD13 ILE A 3 20.967 27.871 19.134 1.00 0.00 H new ATOM 56 N PHE A 4 20.156 31.664 23.260 1.00 0.00 N ATOM 57 CA PHE A 4 21.321 32.356 23.762 1.00 0.00 C ATOM 58 C PHE A 4 22.521 31.407 23.708 1.00 0.00 C ATOM 59 O PHE A 4 22.295 30.201 23.720 1.00 0.00 O ATOM 60 CB PHE A 4 21.065 32.875 25.181 1.00 0.00 C ATOM 61 CG PHE A 4 20.532 34.288 25.193 1.00 0.00 C ATOM 62 CD1 PHE A 4 21.462 35.340 25.215 1.00 0.00 C ATOM 63 CD2 PHE A 4 19.165 34.499 25.388 1.00 0.00 C ATOM 64 CE1 PHE A 4 20.934 36.637 25.188 1.00 0.00 C ATOM 65 CE2 PHE A 4 18.692 35.817 25.372 1.00 0.00 C ATOM 66 CZ PHE A 4 19.567 36.909 25.282 1.00 0.00 C ATOM 0 H PHE A 4 19.720 31.059 23.956 1.00 0.00 H new ATOM 0 HA PHE A 4 21.538 33.225 23.141 1.00 0.00 H new ATOM 0 HB2 PHE A 4 20.354 32.218 25.682 1.00 0.00 H new ATOM 0 HB3 PHE A 4 21.993 32.835 25.752 1.00 0.00 H new ATOM 0 HD1 PHE A 4 22.526 35.159 25.251 1.00 0.00 H new ATOM 0 HD2 PHE A 4 18.492 33.669 25.547 1.00 0.00 H new ATOM 0 HE1 PHE A 4 21.617 37.468 25.090 1.00 0.00 H new ATOM 0 HE2 PHE A 4 17.629 35.997 25.430 1.00 0.00 H new ATOM 0 HZ PHE A 4 19.197 37.924 25.285 1.00 0.00 H new ATOM 76 N VAL A 5 23.737 31.925 23.693 1.00 0.00 N ATOM 77 CA VAL A 5 24.910 31.065 23.788 1.00 0.00 C ATOM 78 C VAL A 5 25.932 31.762 24.686 1.00 0.00 C ATOM 79 O VAL A 5 26.125 32.975 24.603 1.00 0.00 O ATOM 80 CB VAL A 5 25.404 30.757 22.375 1.00 0.00 C ATOM 81 CG1 VAL A 5 26.622 29.839 22.441 1.00 0.00 C ATOM 82 CG2 VAL A 5 24.406 30.143 21.397 1.00 0.00 C ATOM 0 H VAL A 5 23.940 32.922 23.617 1.00 0.00 H new ATOM 0 HA VAL A 5 24.696 30.100 24.248 1.00 0.00 H new ATOM 0 HB VAL A 5 25.625 31.745 21.972 1.00 0.00 H new ATOM 0 HG11 VAL A 5 26.970 29.623 21.431 1.00 0.00 H new ATOM 0 HG12 VAL A 5 27.418 30.330 23.001 1.00 0.00 H new ATOM 0 HG13 VAL A 5 26.349 28.908 22.938 1.00 0.00 H new ATOM 0 HG21 VAL A 5 24.893 29.979 20.436 1.00 0.00 H new ATOM 0 HG22 VAL A 5 24.049 29.191 21.791 1.00 0.00 H new ATOM 0 HG23 VAL A 5 23.562 30.820 21.265 1.00 0.00 H new ATOM 92 N LYS A 6 26.565 30.986 25.553 1.00 0.00 N ATOM 93 CA LYS A 6 27.679 31.342 26.406 1.00 0.00 C ATOM 94 C LYS A 6 28.860 30.536 25.860 1.00 0.00 C ATOM 95 O LYS A 6 28.800 29.337 25.607 1.00 0.00 O ATOM 96 CB LYS A 6 27.244 31.191 27.864 1.00 0.00 C ATOM 97 CG LYS A 6 26.570 32.462 28.373 1.00 0.00 C ATOM 98 CD LYS A 6 26.138 32.634 29.829 1.00 0.00 C ATOM 99 CE LYS A 6 25.400 33.911 30.235 1.00 0.00 C ATOM 100 NZ LYS A 6 24.871 33.925 31.609 1.00 0.00 N ATOM 0 H LYS A 6 26.287 30.014 25.685 1.00 0.00 H new ATOM 0 HA LYS A 6 28.015 32.379 26.397 1.00 0.00 H new ATOM 0 HB2 LYS A 6 26.557 30.350 27.956 1.00 0.00 H new ATOM 0 HB3 LYS A 6 28.111 30.963 28.483 1.00 0.00 H new ATOM 0 HG2 LYS A 6 27.248 33.286 28.149 1.00 0.00 H new ATOM 0 HG3 LYS A 6 25.678 32.608 27.763 1.00 0.00 H new ATOM 0 HD2 LYS A 6 25.499 31.789 30.085 1.00 0.00 H new ATOM 0 HD3 LYS A 6 27.031 32.558 30.449 1.00 0.00 H new ATOM 0 HE2 LYS A 6 26.078 34.756 30.116 1.00 0.00 H new ATOM 0 HE3 LYS A 6 24.572 34.067 29.543 1.00 0.00 H new ATOM 0 HZ1 LYS A 6 24.390 34.830 31.787 1.00 0.00 H new ATOM 0 HZ2 LYS A 6 24.195 33.144 31.729 1.00 0.00 H new ATOM 0 HZ3 LYS A 6 25.654 33.811 32.284 1.00 0.00 H new ATOM 114 N THR A 7 29.913 31.320 25.628 1.00 0.00 N ATOM 115 CA THR A 7 31.244 30.825 25.324 1.00 0.00 C ATOM 116 C THR A 7 31.966 30.802 26.678 1.00 0.00 C ATOM 117 O THR A 7 31.832 31.711 27.508 1.00 0.00 O ATOM 118 CB THR A 7 31.817 31.900 24.404 1.00 0.00 C ATOM 119 OG1 THR A 7 31.139 31.857 23.172 1.00 0.00 O ATOM 120 CG2 THR A 7 33.313 31.750 24.113 1.00 0.00 C ATOM 0 H THR A 7 29.857 32.338 25.648 1.00 0.00 H new ATOM 0 HA THR A 7 31.311 29.842 24.857 1.00 0.00 H new ATOM 0 HB THR A 7 31.681 32.845 24.930 1.00 0.00 H new ATOM 0 HG1 THR A 7 31.500 32.546 22.576 1.00 0.00 H new ATOM 0 HG21 THR A 7 33.638 32.554 23.453 1.00 0.00 H new ATOM 0 HG22 THR A 7 33.872 31.800 25.047 1.00 0.00 H new ATOM 0 HG23 THR A 7 33.496 30.789 23.632 1.00 0.00 H new ATOM 128 N LEU A 8 32.749 29.748 26.872 1.00 0.00 N ATOM 129 CA LEU A 8 33.776 29.493 27.857 1.00 0.00 C ATOM 130 C LEU A 8 34.482 30.685 28.521 1.00 0.00 C ATOM 131 O LEU A 8 34.812 30.634 29.703 1.00 0.00 O ATOM 132 CB LEU A 8 34.699 28.446 27.245 1.00 0.00 C ATOM 133 CG LEU A 8 35.987 28.063 27.999 1.00 0.00 C ATOM 134 CD1 LEU A 8 36.325 26.581 27.871 1.00 0.00 C ATOM 135 CD2 LEU A 8 37.194 28.972 27.821 1.00 0.00 C ATOM 0 H LEU A 8 32.659 28.944 26.250 1.00 0.00 H new ATOM 0 HA LEU A 8 33.285 29.126 28.758 1.00 0.00 H new ATOM 0 HB2 LEU A 8 34.117 27.536 27.102 1.00 0.00 H new ATOM 0 HB3 LEU A 8 34.988 28.799 26.255 1.00 0.00 H new ATOM 0 HG LEU A 8 35.718 28.252 29.038 1.00 0.00 H new ATOM 0 HD11 LEU A 8 37.241 26.368 28.421 1.00 0.00 H new ATOM 0 HD12 LEU A 8 35.509 25.985 28.280 1.00 0.00 H new ATOM 0 HD13 LEU A 8 36.466 26.330 26.820 1.00 0.00 H new ATOM 0 HD21 LEU A 8 38.029 28.586 28.406 1.00 0.00 H new ATOM 0 HD22 LEU A 8 37.473 29.005 26.768 1.00 0.00 H new ATOM 0 HD23 LEU A 8 36.946 29.977 28.162 1.00 0.00 H new ATOM 147 N THR A 9 34.805 31.753 27.813 1.00 0.00 N ATOM 148 CA THR A 9 35.293 33.018 28.320 1.00 0.00 C ATOM 149 C THR A 9 34.314 33.865 29.152 1.00 0.00 C ATOM 150 O THR A 9 34.562 34.981 29.592 1.00 0.00 O ATOM 151 CB THR A 9 35.841 33.766 27.111 1.00 0.00 C ATOM 152 OG1 THR A 9 34.784 33.763 26.176 1.00 0.00 O ATOM 153 CG2 THR A 9 37.149 33.214 26.537 1.00 0.00 C ATOM 0 H THR A 9 34.726 31.756 26.796 1.00 0.00 H new ATOM 0 HA THR A 9 36.056 32.810 29.070 1.00 0.00 H new ATOM 0 HB THR A 9 36.141 34.773 27.399 1.00 0.00 H new ATOM 0 HG1 THR A 9 35.065 34.233 25.363 1.00 0.00 H new ATOM 0 HG21 THR A 9 37.453 33.816 25.681 1.00 0.00 H new ATOM 0 HG22 THR A 9 37.926 33.251 27.301 1.00 0.00 H new ATOM 0 HG23 THR A 9 37.000 32.182 26.220 1.00 0.00 H new ATOM 161 N GLY A 10 33.059 33.449 29.135 1.00 0.00 N ATOM 162 CA GLY A 10 31.959 34.064 29.845 1.00 0.00 C ATOM 163 C GLY A 10 31.268 35.074 28.925 1.00 0.00 C ATOM 164 O GLY A 10 30.365 35.782 29.361 1.00 0.00 O ATOM 0 H GLY A 10 32.769 32.632 28.598 1.00 0.00 H new ATOM 0 HA2 GLY A 10 31.249 33.303 30.168 1.00 0.00 H new ATOM 0 HA3 GLY A 10 32.323 34.562 30.743 1.00 0.00 H new ATOM 168 N LYS A 11 31.536 35.035 27.623 1.00 0.00 N ATOM 169 CA LYS A 11 31.102 35.896 26.542 1.00 0.00 C ATOM 170 C LYS A 11 29.814 35.273 25.995 1.00 0.00 C ATOM 171 O LYS A 11 29.745 34.071 25.752 1.00 0.00 O ATOM 172 CB LYS A 11 32.225 36.067 25.516 1.00 0.00 C ATOM 173 CG LYS A 11 31.945 37.260 24.588 1.00 0.00 C ATOM 174 CD LYS A 11 33.127 37.683 23.712 1.00 0.00 C ATOM 175 CE LYS A 11 33.064 38.974 22.900 1.00 0.00 C ATOM 176 NZ LYS A 11 34.053 39.027 21.800 1.00 0.00 N ATOM 0 H LYS A 11 32.143 34.299 27.262 1.00 0.00 H new ATOM 0 HA LYS A 11 30.882 36.914 26.864 1.00 0.00 H new ATOM 0 HB2 LYS A 11 33.174 36.217 26.031 1.00 0.00 H new ATOM 0 HB3 LYS A 11 32.324 35.157 24.925 1.00 0.00 H new ATOM 0 HG2 LYS A 11 31.103 37.010 23.942 1.00 0.00 H new ATOM 0 HG3 LYS A 11 31.639 38.111 25.196 1.00 0.00 H new ATOM 0 HD2 LYS A 11 34.000 37.753 24.361 1.00 0.00 H new ATOM 0 HD3 LYS A 11 33.315 36.870 23.011 1.00 0.00 H new ATOM 0 HE2 LYS A 11 32.063 39.084 22.484 1.00 0.00 H new ATOM 0 HE3 LYS A 11 33.227 39.821 23.566 1.00 0.00 H new ATOM 0 HZ1 LYS A 11 33.957 39.928 21.290 1.00 0.00 H new ATOM 0 HZ2 LYS A 11 35.013 38.952 22.193 1.00 0.00 H new ATOM 0 HZ3 LYS A 11 33.885 38.238 21.144 1.00 0.00 H new ATOM 190 N THR A 12 28.783 36.117 26.065 1.00 0.00 N ATOM 191 CA THR A 12 27.390 35.856 25.752 1.00 0.00 C ATOM 192 C THR A 12 27.153 36.509 24.389 1.00 0.00 C ATOM 193 O THR A 12 27.626 37.600 24.086 1.00 0.00 O ATOM 194 CB THR A 12 26.531 36.487 26.850 1.00 0.00 C ATOM 195 OG1 THR A 12 26.848 36.154 28.184 1.00 0.00 O ATOM 196 CG2 THR A 12 25.073 36.052 26.677 1.00 0.00 C ATOM 0 H THR A 12 28.921 37.081 26.369 1.00 0.00 H new ATOM 0 HA THR A 12 27.137 34.797 25.708 1.00 0.00 H new ATOM 0 HB THR A 12 26.721 37.552 26.719 1.00 0.00 H new ATOM 0 HG1 THR A 12 26.234 36.617 28.792 1.00 0.00 H new ATOM 0 HG21 THR A 12 24.463 36.503 27.460 1.00 0.00 H new ATOM 0 HG22 THR A 12 24.710 36.377 25.702 1.00 0.00 H new ATOM 0 HG23 THR A 12 25.007 34.966 26.745 1.00 0.00 H new ATOM 204 N ILE A 13 26.411 35.804 23.550 1.00 0.00 N ATOM 205 CA ILE A 13 25.950 36.177 22.222 1.00 0.00 C ATOM 206 C ILE A 13 24.559 35.566 22.111 1.00 0.00 C ATOM 207 O ILE A 13 24.008 34.906 22.989 1.00 0.00 O ATOM 208 CB ILE A 13 26.982 35.732 21.178 1.00 0.00 C ATOM 209 CG1 ILE A 13 27.406 34.280 21.342 1.00 0.00 C ATOM 210 CG2 ILE A 13 28.196 36.668 21.119 1.00 0.00 C ATOM 211 CD1 ILE A 13 28.349 33.821 20.236 1.00 0.00 C ATOM 0 H ILE A 13 26.087 34.871 23.805 1.00 0.00 H new ATOM 0 HA ILE A 13 25.863 37.248 22.042 1.00 0.00 H new ATOM 0 HB ILE A 13 26.473 35.801 20.217 1.00 0.00 H new ATOM 0 HG12 ILE A 13 27.895 34.154 22.308 1.00 0.00 H new ATOM 0 HG13 ILE A 13 26.521 33.644 21.348 1.00 0.00 H new ATOM 0 HG21 ILE A 13 28.896 36.309 20.365 1.00 0.00 H new ATOM 0 HG22 ILE A 13 27.867 37.674 20.859 1.00 0.00 H new ATOM 0 HG23 ILE A 13 28.688 36.687 22.091 1.00 0.00 H new ATOM 0 HD11 ILE A 13 28.621 32.778 20.400 1.00 0.00 H new ATOM 0 HD12 ILE A 13 27.853 33.919 19.271 1.00 0.00 H new ATOM 0 HD13 ILE A 13 29.248 34.437 20.246 1.00 0.00 H new ATOM 223 N THR A 14 23.847 35.899 21.035 1.00 0.00 N ATOM 224 CA THR A 14 22.579 35.299 20.669 1.00 0.00 C ATOM 225 C THR A 14 22.449 35.056 19.166 1.00 0.00 C ATOM 226 O THR A 14 22.804 35.986 18.450 1.00 0.00 O ATOM 227 CB THR A 14 21.396 36.020 21.316 1.00 0.00 C ATOM 228 OG1 THR A 14 20.202 35.426 20.891 1.00 0.00 O ATOM 229 CG2 THR A 14 21.332 37.433 20.743 1.00 0.00 C ATOM 0 H THR A 14 24.152 36.617 20.378 1.00 0.00 H new ATOM 0 HA THR A 14 22.557 34.296 21.094 1.00 0.00 H new ATOM 0 HB THR A 14 21.515 35.991 22.399 1.00 0.00 H new ATOM 0 HG1 THR A 14 20.233 34.463 21.072 1.00 0.00 H new ATOM 0 HG21 THR A 14 20.495 37.969 21.190 1.00 0.00 H new ATOM 0 HG22 THR A 14 22.260 37.959 20.967 1.00 0.00 H new ATOM 0 HG23 THR A 14 21.195 37.382 19.663 1.00 0.00 H new ATOM 237 N LEU A 15 21.876 33.912 18.806 1.00 0.00 N ATOM 238 CA LEU A 15 21.765 33.561 17.404 1.00 0.00 C ATOM 239 C LEU A 15 20.312 33.117 17.200 1.00 0.00 C ATOM 240 O LEU A 15 19.784 32.347 18.000 1.00 0.00 O ATOM 241 CB LEU A 15 22.747 32.455 17.004 1.00 0.00 C ATOM 242 CG LEU A 15 24.177 32.972 17.026 1.00 0.00 C ATOM 243 CD1 LEU A 15 24.790 32.649 18.389 1.00 0.00 C ATOM 244 CD2 LEU A 15 25.045 32.376 15.918 1.00 0.00 C ATOM 0 H LEU A 15 21.489 33.227 19.455 1.00 0.00 H new ATOM 0 HA LEU A 15 22.019 34.411 16.771 1.00 0.00 H new ATOM 0 HB2 LEU A 15 22.650 31.611 17.687 1.00 0.00 H new ATOM 0 HB3 LEU A 15 22.503 32.088 16.007 1.00 0.00 H new ATOM 0 HG LEU A 15 24.144 34.048 16.852 1.00 0.00 H new ATOM 0 HD11 LEU A 15 25.817 33.013 18.422 1.00 0.00 H new ATOM 0 HD12 LEU A 15 24.208 33.133 19.174 1.00 0.00 H new ATOM 0 HD13 LEU A 15 24.783 31.570 18.545 1.00 0.00 H new ATOM 0 HD21 LEU A 15 26.053 32.784 15.987 1.00 0.00 H new ATOM 0 HD22 LEU A 15 25.083 31.292 16.029 1.00 0.00 H new ATOM 0 HD23 LEU A 15 24.618 32.626 14.947 1.00 0.00 H new ATOM 256 N GLU A 16 19.610 33.585 16.184 1.00 0.00 N ATOM 257 CA GLU A 16 18.308 33.130 15.725 1.00 0.00 C ATOM 258 C GLU A 16 18.470 31.814 14.950 1.00 0.00 C ATOM 259 O GLU A 16 19.112 31.765 13.900 1.00 0.00 O ATOM 260 CB GLU A 16 17.804 34.213 14.780 1.00 0.00 C ATOM 261 CG GLU A 16 17.640 35.601 15.395 1.00 0.00 C ATOM 262 CD GLU A 16 18.962 36.366 15.421 1.00 0.00 C ATOM 263 OE1 GLU A 16 19.939 35.803 14.887 1.00 0.00 O ATOM 264 OE2 GLU A 16 18.940 37.506 15.932 1.00 0.00 O ATOM 0 H GLU A 16 19.962 34.353 15.613 1.00 0.00 H new ATOM 0 HA GLU A 16 17.621 32.959 16.554 1.00 0.00 H new ATOM 0 HB2 GLU A 16 18.494 34.287 13.940 1.00 0.00 H new ATOM 0 HB3 GLU A 16 16.842 33.898 14.376 1.00 0.00 H new ATOM 0 HG2 GLU A 16 16.903 36.167 14.825 1.00 0.00 H new ATOM 0 HG3 GLU A 16 17.254 35.506 16.410 1.00 0.00 H new ATOM 271 N VAL A 17 17.790 30.751 15.376 1.00 0.00 N ATOM 272 CA VAL A 17 17.914 29.435 14.800 1.00 0.00 C ATOM 273 C VAL A 17 16.496 28.898 14.618 1.00 0.00 C ATOM 274 O VAL A 17 15.561 29.582 15.023 1.00 0.00 O ATOM 275 CB VAL A 17 18.782 28.525 15.675 1.00 0.00 C ATOM 276 CG1 VAL A 17 20.207 29.074 15.797 1.00 0.00 C ATOM 277 CG2 VAL A 17 18.135 28.320 17.037 1.00 0.00 C ATOM 0 H VAL A 17 17.126 30.793 16.149 1.00 0.00 H new ATOM 0 HA VAL A 17 18.421 29.472 13.836 1.00 0.00 H new ATOM 0 HB VAL A 17 18.855 27.550 15.194 1.00 0.00 H new ATOM 0 HG11 VAL A 17 20.801 28.408 16.423 1.00 0.00 H new ATOM 0 HG12 VAL A 17 20.658 29.139 14.807 1.00 0.00 H new ATOM 0 HG13 VAL A 17 20.177 30.066 16.248 1.00 0.00 H new ATOM 0 HG21 VAL A 17 18.765 27.671 17.645 1.00 0.00 H new ATOM 0 HG22 VAL A 17 18.020 29.283 17.534 1.00 0.00 H new ATOM 0 HG23 VAL A 17 17.156 27.858 16.909 1.00 0.00 H new ATOM 287 N GLU A 18 16.325 27.641 14.192 1.00 0.00 N ATOM 288 CA GLU A 18 15.103 26.862 14.229 1.00 0.00 C ATOM 289 C GLU A 18 15.488 25.555 14.911 1.00 0.00 C ATOM 290 O GLU A 18 16.678 25.259 14.922 1.00 0.00 O ATOM 291 CB GLU A 18 14.420 26.761 12.867 1.00 0.00 C ATOM 292 CG GLU A 18 13.446 27.899 12.557 1.00 0.00 C ATOM 293 CD GLU A 18 12.258 27.979 13.508 1.00 0.00 C ATOM 294 OE1 GLU A 18 12.307 28.653 14.555 1.00 0.00 O ATOM 295 OE2 GLU A 18 11.224 27.353 13.179 1.00 0.00 O ATOM 0 H GLU A 18 17.097 27.113 13.785 1.00 0.00 H new ATOM 0 HA GLU A 18 14.308 27.336 14.805 1.00 0.00 H new ATOM 0 HB2 GLU A 18 15.186 26.735 12.092 1.00 0.00 H new ATOM 0 HB3 GLU A 18 13.881 25.815 12.815 1.00 0.00 H new ATOM 0 HG2 GLU A 18 13.987 28.845 12.589 1.00 0.00 H new ATOM 0 HG3 GLU A 18 13.075 27.778 11.539 1.00 0.00 H new ATOM 302 N PRO A 19 14.537 24.786 15.457 1.00 0.00 N ATOM 303 CA PRO A 19 14.728 23.488 16.063 1.00 0.00 C ATOM 304 C PRO A 19 15.374 22.486 15.111 1.00 0.00 C ATOM 305 O PRO A 19 16.204 21.681 15.534 1.00 0.00 O ATOM 306 CB PRO A 19 13.342 22.964 16.453 1.00 0.00 C ATOM 307 CG PRO A 19 12.487 24.232 16.566 1.00 0.00 C ATOM 308 CD PRO A 19 13.190 25.273 15.690 1.00 0.00 C ATOM 0 HA PRO A 19 15.394 23.597 16.919 1.00 0.00 H new ATOM 0 HB2 PRO A 19 12.947 22.281 15.701 1.00 0.00 H new ATOM 0 HB3 PRO A 19 13.372 22.417 17.395 1.00 0.00 H new ATOM 0 HG2 PRO A 19 11.469 24.052 16.222 1.00 0.00 H new ATOM 0 HG3 PRO A 19 12.419 24.570 17.600 1.00 0.00 H new ATOM 0 HD2 PRO A 19 12.659 25.407 14.747 1.00 0.00 H new ATOM 0 HD3 PRO A 19 13.210 26.244 16.185 1.00 0.00 H new ATOM 316 N SER A 20 14.992 22.515 13.838 1.00 0.00 N ATOM 317 CA SER A 20 15.487 21.540 12.891 1.00 0.00 C ATOM 318 C SER A 20 16.899 21.945 12.463 1.00 0.00 C ATOM 319 O SER A 20 17.508 21.275 11.627 1.00 0.00 O ATOM 320 CB SER A 20 14.510 21.435 11.719 1.00 0.00 C ATOM 321 OG SER A 20 13.270 20.894 12.124 1.00 0.00 O ATOM 0 H SER A 20 14.346 23.200 13.447 1.00 0.00 H new ATOM 0 HA SER A 20 15.553 20.548 13.337 1.00 0.00 H new ATOM 0 HB2 SER A 20 14.353 22.423 11.286 1.00 0.00 H new ATOM 0 HB3 SER A 20 14.943 20.810 10.938 1.00 0.00 H new ATOM 0 HG SER A 20 12.668 20.842 11.352 1.00 0.00 H new ATOM 327 N ASP A 21 17.551 22.952 13.026 1.00 0.00 N ATOM 328 CA ASP A 21 18.874 23.365 12.616 1.00 0.00 C ATOM 329 C ASP A 21 19.875 22.383 13.226 1.00 0.00 C ATOM 330 O ASP A 21 19.854 22.099 14.418 1.00 0.00 O ATOM 331 CB ASP A 21 19.200 24.770 13.126 1.00 0.00 C ATOM 332 CG ASP A 21 18.676 25.923 12.280 1.00 0.00 C ATOM 333 OD1 ASP A 21 18.315 25.726 11.099 1.00 0.00 O ATOM 334 OD2 ASP A 21 18.611 27.067 12.779 1.00 0.00 O ATOM 0 H ASP A 21 17.166 23.508 13.789 1.00 0.00 H new ATOM 0 HA ASP A 21 18.925 23.375 11.527 1.00 0.00 H new ATOM 0 HB2 ASP A 21 18.798 24.872 14.134 1.00 0.00 H new ATOM 0 HB3 ASP A 21 20.283 24.865 13.204 1.00 0.00 H new ATOM 339 N THR A 22 20.788 21.812 12.439 1.00 0.00 N ATOM 340 CA THR A 22 21.960 21.043 12.803 1.00 0.00 C ATOM 341 C THR A 22 22.823 21.809 13.805 1.00 0.00 C ATOM 342 O THR A 22 22.889 23.038 13.798 1.00 0.00 O ATOM 343 CB THR A 22 22.793 20.625 11.592 1.00 0.00 C ATOM 344 OG1 THR A 22 23.293 21.707 10.830 1.00 0.00 O ATOM 345 CG2 THR A 22 22.101 19.605 10.687 1.00 0.00 C ATOM 0 H THR A 22 20.708 21.891 11.425 1.00 0.00 H new ATOM 0 HA THR A 22 21.597 20.128 13.271 1.00 0.00 H new ATOM 0 HB THR A 22 23.653 20.129 12.043 1.00 0.00 H new ATOM 0 HG1 THR A 22 23.677 21.369 9.994 1.00 0.00 H new ATOM 0 HG21 THR A 22 22.755 19.358 9.850 1.00 0.00 H new ATOM 0 HG22 THR A 22 21.884 18.701 11.257 1.00 0.00 H new ATOM 0 HG23 THR A 22 21.170 20.027 10.308 1.00 0.00 H new ATOM 353 N ILE A 23 23.569 21.130 14.665 1.00 0.00 N ATOM 354 CA ILE A 23 24.742 21.593 15.380 1.00 0.00 C ATOM 355 C ILE A 23 25.802 22.139 14.429 1.00 0.00 C ATOM 356 O ILE A 23 26.345 23.196 14.759 1.00 0.00 O ATOM 357 CB ILE A 23 25.435 20.528 16.230 1.00 0.00 C ATOM 358 CG1 ILE A 23 24.465 19.965 17.264 1.00 0.00 C ATOM 359 CG2 ILE A 23 26.745 20.861 16.940 1.00 0.00 C ATOM 360 CD1 ILE A 23 24.543 20.593 18.653 1.00 0.00 C ATOM 0 H ILE A 23 23.348 20.162 14.897 1.00 0.00 H new ATOM 0 HA ILE A 23 24.344 22.365 16.038 1.00 0.00 H new ATOM 0 HB ILE A 23 25.737 19.815 15.463 1.00 0.00 H new ATOM 0 HG12 ILE A 23 23.450 20.086 16.887 1.00 0.00 H new ATOM 0 HG13 ILE A 23 24.644 18.894 17.359 1.00 0.00 H new ATOM 0 HG21 ILE A 23 27.090 19.988 17.494 1.00 0.00 H new ATOM 0 HG22 ILE A 23 27.497 21.144 16.203 1.00 0.00 H new ATOM 0 HG23 ILE A 23 26.584 21.689 17.630 1.00 0.00 H new ATOM 0 HD11 ILE A 23 23.812 20.119 19.308 1.00 0.00 H new ATOM 0 HD12 ILE A 23 25.543 20.449 19.062 1.00 0.00 H new ATOM 0 HD13 ILE A 23 24.330 21.660 18.583 1.00 0.00 H new ATOM 372 N GLU A 24 25.992 21.492 13.279 1.00 0.00 N ATOM 373 CA GLU A 24 26.809 21.929 12.172 1.00 0.00 C ATOM 374 C GLU A 24 26.537 23.370 11.712 1.00 0.00 C ATOM 375 O GLU A 24 27.457 24.180 11.655 1.00 0.00 O ATOM 376 CB GLU A 24 26.743 20.892 11.057 1.00 0.00 C ATOM 377 CG GLU A 24 28.047 20.914 10.258 1.00 0.00 C ATOM 378 CD GLU A 24 29.244 20.225 10.902 1.00 0.00 C ATOM 379 OE1 GLU A 24 29.130 19.228 11.637 1.00 0.00 O ATOM 380 OE2 GLU A 24 30.346 20.702 10.564 1.00 0.00 O ATOM 0 H GLU A 24 25.547 20.593 13.095 1.00 0.00 H new ATOM 0 HA GLU A 24 27.841 21.989 12.518 1.00 0.00 H new ATOM 0 HB2 GLU A 24 26.580 19.900 11.478 1.00 0.00 H new ATOM 0 HB3 GLU A 24 25.899 21.102 10.400 1.00 0.00 H new ATOM 0 HG2 GLU A 24 27.863 20.447 9.290 1.00 0.00 H new ATOM 0 HG3 GLU A 24 28.313 21.953 10.065 1.00 0.00 H new ATOM 387 N ASN A 25 25.278 23.699 11.419 1.00 0.00 N ATOM 388 CA ASN A 25 24.850 25.075 11.284 1.00 0.00 C ATOM 389 C ASN A 25 25.112 26.049 12.436 1.00 0.00 C ATOM 390 O ASN A 25 25.343 27.231 12.204 1.00 0.00 O ATOM 391 CB ASN A 25 23.340 25.058 10.996 1.00 0.00 C ATOM 392 CG ASN A 25 22.699 26.390 10.635 1.00 0.00 C ATOM 393 OD1 ASN A 25 23.193 27.114 9.785 1.00 0.00 O ATOM 394 ND2 ASN A 25 21.530 26.759 11.155 1.00 0.00 N ATOM 0 H ASN A 25 24.536 23.015 11.271 1.00 0.00 H new ATOM 0 HA ASN A 25 25.476 25.471 10.484 1.00 0.00 H new ATOM 0 HB2 ASN A 25 23.157 24.360 10.179 1.00 0.00 H new ATOM 0 HB3 ASN A 25 22.830 24.662 11.874 1.00 0.00 H new ATOM 0 HD21 ASN A 25 21.081 27.619 10.840 1.00 0.00 H new ATOM 0 HD22 ASN A 25 21.084 26.182 11.868 1.00 0.00 H new ATOM 401 N VAL A 26 25.036 25.626 13.698 1.00 0.00 N ATOM 402 CA VAL A 26 25.171 26.486 14.856 1.00 0.00 C ATOM 403 C VAL A 26 26.622 26.877 15.110 1.00 0.00 C ATOM 404 O VAL A 26 26.928 28.062 15.221 1.00 0.00 O ATOM 405 CB VAL A 26 24.501 25.830 16.060 1.00 0.00 C ATOM 406 CG1 VAL A 26 24.732 26.538 17.403 1.00 0.00 C ATOM 407 CG2 VAL A 26 22.996 25.741 15.812 1.00 0.00 C ATOM 0 H VAL A 26 24.874 24.649 13.941 1.00 0.00 H new ATOM 0 HA VAL A 26 24.656 27.427 14.664 1.00 0.00 H new ATOM 0 HB VAL A 26 24.967 24.849 16.150 1.00 0.00 H new ATOM 0 HG11 VAL A 26 24.215 25.995 18.194 1.00 0.00 H new ATOM 0 HG12 VAL A 26 25.800 26.567 17.620 1.00 0.00 H new ATOM 0 HG13 VAL A 26 24.345 27.556 17.349 1.00 0.00 H new ATOM 0 HG21 VAL A 26 22.513 25.273 16.670 1.00 0.00 H new ATOM 0 HG22 VAL A 26 22.591 26.743 15.669 1.00 0.00 H new ATOM 0 HG23 VAL A 26 22.809 25.144 14.920 1.00 0.00 H new ATOM 417 N LYS A 27 27.474 25.865 14.955 1.00 0.00 N ATOM 418 CA LYS A 27 28.913 26.008 14.900 1.00 0.00 C ATOM 419 C LYS A 27 29.404 26.820 13.699 1.00 0.00 C ATOM 420 O LYS A 27 30.306 27.628 13.902 1.00 0.00 O ATOM 421 CB LYS A 27 29.511 24.597 14.830 1.00 0.00 C ATOM 422 CG LYS A 27 29.364 23.727 16.083 1.00 0.00 C ATOM 423 CD LYS A 27 30.335 22.539 16.073 1.00 0.00 C ATOM 424 CE LYS A 27 30.620 21.720 17.329 1.00 0.00 C ATOM 425 NZ LYS A 27 31.555 20.649 16.947 1.00 0.00 N ATOM 0 H LYS A 27 27.165 24.897 14.862 1.00 0.00 H new ATOM 0 HA LYS A 27 29.231 26.555 15.788 1.00 0.00 H new ATOM 0 HB2 LYS A 27 29.048 24.072 13.994 1.00 0.00 H new ATOM 0 HB3 LYS A 27 30.573 24.688 14.601 1.00 0.00 H new ATOM 0 HG2 LYS A 27 29.543 24.335 16.970 1.00 0.00 H new ATOM 0 HG3 LYS A 27 28.340 23.358 16.151 1.00 0.00 H new ATOM 0 HD2 LYS A 27 29.972 21.842 15.318 1.00 0.00 H new ATOM 0 HD3 LYS A 27 31.294 22.919 15.721 1.00 0.00 H new ATOM 0 HE2 LYS A 27 31.052 22.348 18.108 1.00 0.00 H new ATOM 0 HE3 LYS A 27 29.698 21.300 17.732 1.00 0.00 H new ATOM 0 HZ1 LYS A 27 32.209 20.462 17.734 1.00 0.00 H new ATOM 0 HZ2 LYS A 27 31.021 19.784 16.728 1.00 0.00 H new ATOM 0 HZ3 LYS A 27 32.096 20.943 16.109 1.00 0.00 H new ATOM 439 N ALA A 28 28.768 26.719 12.529 1.00 0.00 N ATOM 440 CA ALA A 28 29.098 27.447 11.323 1.00 0.00 C ATOM 441 C ALA A 28 28.584 28.882 11.506 1.00 0.00 C ATOM 442 O ALA A 28 29.233 29.836 11.089 1.00 0.00 O ATOM 443 CB ALA A 28 28.417 26.866 10.085 1.00 0.00 C ATOM 0 H ALA A 28 27.972 26.094 12.402 1.00 0.00 H new ATOM 0 HA ALA A 28 30.176 27.392 11.171 1.00 0.00 H new ATOM 0 HB1 ALA A 28 28.698 27.449 9.208 1.00 0.00 H new ATOM 0 HB2 ALA A 28 28.731 25.831 9.949 1.00 0.00 H new ATOM 0 HB3 ALA A 28 27.335 26.903 10.214 1.00 0.00 H new ATOM 449 N LYS A 29 27.521 29.126 12.270 1.00 0.00 N ATOM 450 CA LYS A 29 26.928 30.434 12.461 1.00 0.00 C ATOM 451 C LYS A 29 27.684 31.192 13.550 1.00 0.00 C ATOM 452 O LYS A 29 27.959 32.369 13.350 1.00 0.00 O ATOM 453 CB LYS A 29 25.437 30.373 12.804 1.00 0.00 C ATOM 454 CG LYS A 29 24.563 30.285 11.546 1.00 0.00 C ATOM 455 CD LYS A 29 23.056 30.139 11.768 1.00 0.00 C ATOM 456 CE LYS A 29 22.423 31.518 11.988 1.00 0.00 C ATOM 457 NZ LYS A 29 20.953 31.427 12.031 1.00 0.00 N ATOM 0 H LYS A 29 27.039 28.391 12.787 1.00 0.00 H new ATOM 0 HA LYS A 29 27.010 30.961 11.510 1.00 0.00 H new ATOM 0 HB2 LYS A 29 25.246 29.509 13.440 1.00 0.00 H new ATOM 0 HB3 LYS A 29 25.160 31.258 13.377 1.00 0.00 H new ATOM 0 HG2 LYS A 29 24.734 31.181 10.949 1.00 0.00 H new ATOM 0 HG3 LYS A 29 24.904 29.436 10.953 1.00 0.00 H new ATOM 0 HD2 LYS A 29 22.598 29.653 10.906 1.00 0.00 H new ATOM 0 HD3 LYS A 29 22.867 29.501 12.631 1.00 0.00 H new ATOM 0 HE2 LYS A 29 22.791 31.946 12.920 1.00 0.00 H new ATOM 0 HE3 LYS A 29 22.725 32.192 11.187 1.00 0.00 H new ATOM 0 HZ1 LYS A 29 20.548 31.968 11.240 1.00 0.00 H new ATOM 0 HZ2 LYS A 29 20.664 30.431 11.952 1.00 0.00 H new ATOM 0 HZ3 LYS A 29 20.607 31.818 12.931 1.00 0.00 H new ATOM 471 N ILE A 30 28.037 30.590 14.687 1.00 0.00 N ATOM 472 CA ILE A 30 28.984 31.003 15.705 1.00 0.00 C ATOM 473 C ILE A 30 30.290 31.578 15.162 1.00 0.00 C ATOM 474 O ILE A 30 30.803 32.625 15.561 1.00 0.00 O ATOM 475 CB ILE A 30 29.052 29.978 16.835 1.00 0.00 C ATOM 476 CG1 ILE A 30 27.748 30.011 17.644 1.00 0.00 C ATOM 477 CG2 ILE A 30 30.236 30.203 17.782 1.00 0.00 C ATOM 478 CD1 ILE A 30 27.479 28.895 18.644 1.00 0.00 C ATOM 0 H ILE A 30 27.612 29.698 14.938 1.00 0.00 H new ATOM 0 HA ILE A 30 28.602 31.898 16.196 1.00 0.00 H new ATOM 0 HB ILE A 30 29.193 29.005 16.365 1.00 0.00 H new ATOM 0 HG12 ILE A 30 27.720 30.955 18.187 1.00 0.00 H new ATOM 0 HG13 ILE A 30 26.920 30.026 16.935 1.00 0.00 H new ATOM 0 HG21 ILE A 30 30.228 29.442 18.562 1.00 0.00 H new ATOM 0 HG22 ILE A 30 31.168 30.137 17.221 1.00 0.00 H new ATOM 0 HG23 ILE A 30 30.155 31.190 18.237 1.00 0.00 H new ATOM 0 HD11 ILE A 30 26.519 29.066 19.131 1.00 0.00 H new ATOM 0 HD12 ILE A 30 27.456 27.938 18.123 1.00 0.00 H new ATOM 0 HD13 ILE A 30 28.269 28.881 19.395 1.00 0.00 H new ATOM 490 N GLN A 31 30.847 30.917 14.155 1.00 0.00 N ATOM 491 CA GLN A 31 31.994 31.339 13.368 1.00 0.00 C ATOM 492 C GLN A 31 31.870 32.694 12.663 1.00 0.00 C ATOM 493 O GLN A 31 32.768 33.528 12.656 1.00 0.00 O ATOM 494 CB GLN A 31 32.268 30.191 12.395 1.00 0.00 C ATOM 495 CG GLN A 31 33.724 30.214 11.911 1.00 0.00 C ATOM 496 CD GLN A 31 34.251 29.218 10.885 1.00 0.00 C ATOM 497 OE1 GLN A 31 33.444 28.557 10.234 1.00 0.00 O ATOM 498 NE2 GLN A 31 35.542 29.127 10.597 1.00 0.00 N ATOM 0 H GLN A 31 30.485 30.014 13.848 1.00 0.00 H new ATOM 0 HA GLN A 31 32.831 31.529 14.040 1.00 0.00 H new ATOM 0 HB2 GLN A 31 32.058 29.239 12.883 1.00 0.00 H new ATOM 0 HB3 GLN A 31 31.596 30.266 11.540 1.00 0.00 H new ATOM 0 HG2 GLN A 31 33.904 31.209 11.504 1.00 0.00 H new ATOM 0 HG3 GLN A 31 34.351 30.114 12.797 1.00 0.00 H new ATOM 0 HE21 GLN A 31 36.223 29.670 11.129 1.00 0.00 H new ATOM 0 HE22 GLN A 31 35.855 28.514 9.844 1.00 0.00 H new ATOM 507 N ASP A 32 30.694 32.888 12.074 1.00 0.00 N ATOM 508 CA ASP A 32 30.346 34.079 11.323 1.00 0.00 C ATOM 509 C ASP A 32 30.142 35.180 12.369 1.00 0.00 C ATOM 510 O ASP A 32 30.536 36.306 12.073 1.00 0.00 O ATOM 511 CB ASP A 32 29.168 33.697 10.437 1.00 0.00 C ATOM 512 CG ASP A 32 28.505 34.939 9.846 1.00 0.00 C ATOM 513 OD1 ASP A 32 29.169 35.504 8.953 1.00 0.00 O ATOM 514 OD2 ASP A 32 27.368 35.318 10.207 1.00 0.00 O ATOM 0 H ASP A 32 29.941 32.201 12.110 1.00 0.00 H new ATOM 0 HA ASP A 32 31.091 34.474 10.632 1.00 0.00 H new ATOM 0 HB2 ASP A 32 29.509 33.045 9.633 1.00 0.00 H new ATOM 0 HB3 ASP A 32 28.439 33.132 11.018 1.00 0.00 H new ATOM 519 N LYS A 33 29.496 34.907 13.501 1.00 0.00 N ATOM 520 CA LYS A 33 29.233 35.709 14.677 1.00 0.00 C ATOM 521 C LYS A 33 30.468 36.144 15.474 1.00 0.00 C ATOM 522 O LYS A 33 30.592 37.346 15.699 1.00 0.00 O ATOM 523 CB LYS A 33 28.200 34.913 15.470 1.00 0.00 C ATOM 524 CG LYS A 33 27.741 35.490 16.811 1.00 0.00 C ATOM 525 CD LYS A 33 26.965 36.809 16.866 1.00 0.00 C ATOM 526 CE LYS A 33 25.737 37.074 15.994 1.00 0.00 C ATOM 527 NZ LYS A 33 25.324 38.473 16.161 1.00 0.00 N ATOM 0 H LYS A 33 29.089 33.979 13.622 1.00 0.00 H new ATOM 0 HA LYS A 33 28.848 36.689 14.396 1.00 0.00 H new ATOM 0 HB2 LYS A 33 27.320 34.783 14.841 1.00 0.00 H new ATOM 0 HB3 LYS A 33 28.609 33.920 15.654 1.00 0.00 H new ATOM 0 HG2 LYS A 33 27.122 34.733 17.292 1.00 0.00 H new ATOM 0 HG3 LYS A 33 28.630 35.614 17.429 1.00 0.00 H new ATOM 0 HD2 LYS A 33 26.648 36.942 17.900 1.00 0.00 H new ATOM 0 HD3 LYS A 33 27.680 37.602 16.647 1.00 0.00 H new ATOM 0 HE2 LYS A 33 25.968 36.872 14.948 1.00 0.00 H new ATOM 0 HE3 LYS A 33 24.924 36.405 16.276 1.00 0.00 H new ATOM 0 HZ1 LYS A 33 24.489 38.661 15.571 1.00 0.00 H new ATOM 0 HZ2 LYS A 33 25.090 38.649 17.159 1.00 0.00 H new ATOM 0 HZ3 LYS A 33 26.101 39.101 15.872 1.00 0.00 H new ATOM 541 N GLU A 34 31.420 35.278 15.831 1.00 0.00 N ATOM 542 CA GLU A 34 32.485 35.648 16.733 1.00 0.00 C ATOM 543 C GLU A 34 33.867 35.045 16.472 1.00 0.00 C ATOM 544 O GLU A 34 34.873 35.280 17.143 1.00 0.00 O ATOM 545 CB GLU A 34 32.024 35.184 18.112 1.00 0.00 C ATOM 546 CG GLU A 34 31.254 36.210 18.950 1.00 0.00 C ATOM 547 CD GLU A 34 32.073 37.306 19.619 1.00 0.00 C ATOM 548 OE1 GLU A 34 33.144 36.920 20.126 1.00 0.00 O ATOM 549 OE2 GLU A 34 31.694 38.499 19.527 1.00 0.00 O ATOM 0 H GLU A 34 31.464 34.314 15.501 1.00 0.00 H new ATOM 0 HA GLU A 34 32.638 36.720 16.611 1.00 0.00 H new ATOM 0 HB2 GLU A 34 31.394 34.304 17.984 1.00 0.00 H new ATOM 0 HB3 GLU A 34 32.901 34.868 18.678 1.00 0.00 H new ATOM 0 HG2 GLU A 34 30.512 36.685 18.308 1.00 0.00 H new ATOM 0 HG3 GLU A 34 30.708 35.673 19.726 1.00 0.00 H new ATOM 556 N GLY A 35 33.927 34.115 15.520 1.00 0.00 N ATOM 557 CA GLY A 35 35.189 33.706 14.934 1.00 0.00 C ATOM 558 C GLY A 35 35.580 32.252 15.177 1.00 0.00 C ATOM 559 O GLY A 35 36.604 31.816 14.653 1.00 0.00 O ATOM 0 H GLY A 35 33.111 33.634 15.142 1.00 0.00 H new ATOM 0 HA2 GLY A 35 35.144 33.878 13.859 1.00 0.00 H new ATOM 0 HA3 GLY A 35 35.978 34.348 15.327 1.00 0.00 H new ATOM 563 N ILE A 36 34.772 31.489 15.908 1.00 0.00 N ATOM 564 CA ILE A 36 35.109 30.227 16.538 1.00 0.00 C ATOM 565 C ILE A 36 35.073 29.138 15.465 1.00 0.00 C ATOM 566 O ILE A 36 33.970 28.944 14.981 1.00 0.00 O ATOM 567 CB ILE A 36 34.166 29.968 17.711 1.00 0.00 C ATOM 568 CG1 ILE A 36 33.749 31.101 18.649 1.00 0.00 C ATOM 569 CG2 ILE A 36 34.584 28.707 18.474 1.00 0.00 C ATOM 570 CD1 ILE A 36 32.930 30.633 19.847 1.00 0.00 C ATOM 0 H ILE A 36 33.804 31.758 16.084 1.00 0.00 H new ATOM 0 HA ILE A 36 36.113 30.240 16.961 1.00 0.00 H new ATOM 0 HB ILE A 36 33.221 29.834 17.185 1.00 0.00 H new ATOM 0 HG12 ILE A 36 34.643 31.612 19.008 1.00 0.00 H new ATOM 0 HG13 ILE A 36 33.169 31.832 18.086 1.00 0.00 H new ATOM 0 HG21 ILE A 36 33.899 28.541 19.305 1.00 0.00 H new ATOM 0 HG22 ILE A 36 34.554 27.849 17.803 1.00 0.00 H new ATOM 0 HG23 ILE A 36 35.596 28.833 18.858 1.00 0.00 H new ATOM 0 HD11 ILE A 36 32.670 31.491 20.468 1.00 0.00 H new ATOM 0 HD12 ILE A 36 32.018 30.149 19.498 1.00 0.00 H new ATOM 0 HD13 ILE A 36 33.515 29.925 20.433 1.00 0.00 H new ATOM 582 N PRO A 37 36.179 28.448 15.186 1.00 0.00 N ATOM 583 CA PRO A 37 36.145 27.342 14.252 1.00 0.00 C ATOM 584 C PRO A 37 35.354 26.119 14.726 1.00 0.00 C ATOM 585 O PRO A 37 35.289 25.838 15.927 1.00 0.00 O ATOM 586 CB PRO A 37 37.616 27.041 13.922 1.00 0.00 C ATOM 587 CG PRO A 37 38.337 27.606 15.141 1.00 0.00 C ATOM 588 CD PRO A 37 37.469 28.676 15.796 1.00 0.00 C ATOM 0 HA PRO A 37 35.585 27.620 13.359 1.00 0.00 H new ATOM 0 HB2 PRO A 37 37.796 25.973 13.800 1.00 0.00 H new ATOM 0 HB3 PRO A 37 37.934 27.525 12.999 1.00 0.00 H new ATOM 0 HG2 PRO A 37 38.549 26.809 15.853 1.00 0.00 H new ATOM 0 HG3 PRO A 37 39.296 28.032 14.845 1.00 0.00 H new ATOM 0 HD2 PRO A 37 37.432 28.561 16.879 1.00 0.00 H new ATOM 0 HD3 PRO A 37 37.842 29.680 15.594 1.00 0.00 H new ATOM 596 N PRO A 38 34.750 25.370 13.822 1.00 0.00 N ATOM 597 CA PRO A 38 33.746 24.394 14.197 1.00 0.00 C ATOM 598 C PRO A 38 34.328 23.086 14.746 1.00 0.00 C ATOM 599 O PRO A 38 33.815 22.594 15.744 1.00 0.00 O ATOM 600 CB PRO A 38 33.110 24.032 12.849 1.00 0.00 C ATOM 601 CG PRO A 38 34.156 24.323 11.770 1.00 0.00 C ATOM 602 CD PRO A 38 34.896 25.516 12.385 1.00 0.00 C ATOM 0 HA PRO A 38 33.095 24.806 14.968 1.00 0.00 H new ATOM 0 HB2 PRO A 38 32.818 22.982 12.830 1.00 0.00 H new ATOM 0 HB3 PRO A 38 32.207 24.618 12.679 1.00 0.00 H new ATOM 0 HG2 PRO A 38 34.817 23.473 11.598 1.00 0.00 H new ATOM 0 HG3 PRO A 38 33.700 24.571 10.812 1.00 0.00 H new ATOM 0 HD2 PRO A 38 35.947 25.516 12.096 1.00 0.00 H new ATOM 0 HD3 PRO A 38 34.471 26.459 12.042 1.00 0.00 H new ATOM 610 N ASP A 39 35.502 22.677 14.257 1.00 0.00 N ATOM 611 CA ASP A 39 36.177 21.408 14.419 1.00 0.00 C ATOM 612 C ASP A 39 37.022 21.378 15.697 1.00 0.00 C ATOM 613 O ASP A 39 37.841 20.479 15.920 1.00 0.00 O ATOM 614 CB ASP A 39 37.077 21.092 13.229 1.00 0.00 C ATOM 615 CG ASP A 39 37.560 19.647 13.156 1.00 0.00 C ATOM 616 OD1 ASP A 39 36.762 18.774 13.557 1.00 0.00 O ATOM 617 OD2 ASP A 39 38.739 19.404 12.845 1.00 0.00 O ATOM 0 H ASP A 39 36.055 23.306 13.675 1.00 0.00 H new ATOM 0 HA ASP A 39 35.394 20.653 14.487 1.00 0.00 H new ATOM 0 HB2 ASP A 39 36.537 21.326 12.311 1.00 0.00 H new ATOM 0 HB3 ASP A 39 37.946 21.749 13.264 1.00 0.00 H new ATOM 622 N GLN A 40 36.917 22.406 16.526 1.00 0.00 N ATOM 623 CA GLN A 40 37.602 22.732 17.766 1.00 0.00 C ATOM 624 C GLN A 40 36.621 23.154 18.862 1.00 0.00 C ATOM 625 O GLN A 40 37.062 23.285 19.996 1.00 0.00 O ATOM 626 CB GLN A 40 38.537 23.907 17.457 1.00 0.00 C ATOM 627 CG GLN A 40 39.816 23.492 16.751 1.00 0.00 C ATOM 628 CD GLN A 40 41.022 22.882 17.465 1.00 0.00 C ATOM 629 OE1 GLN A 40 40.841 22.253 18.505 1.00 0.00 O ATOM 630 NE2 GLN A 40 42.228 23.054 16.932 1.00 0.00 N ATOM 0 H GLN A 40 36.245 23.141 16.307 1.00 0.00 H new ATOM 0 HA GLN A 40 38.140 21.856 18.128 1.00 0.00 H new ATOM 0 HB2 GLN A 40 38.007 24.630 16.837 1.00 0.00 H new ATOM 0 HB3 GLN A 40 38.793 24.413 18.388 1.00 0.00 H new ATOM 0 HG2 GLN A 40 39.522 22.777 15.982 1.00 0.00 H new ATOM 0 HG3 GLN A 40 40.183 24.380 16.237 1.00 0.00 H new ATOM 0 HE21 GLN A 40 42.332 23.584 16.067 1.00 0.00 H new ATOM 0 HE22 GLN A 40 43.049 22.656 17.389 1.00 0.00 H new ATOM 639 N GLN A 41 35.347 23.358 18.539 1.00 0.00 N ATOM 640 CA GLN A 41 34.260 23.819 19.391 1.00 0.00 C ATOM 641 C GLN A 41 33.415 22.604 19.743 1.00 0.00 C ATOM 642 O GLN A 41 33.146 21.794 18.850 1.00 0.00 O ATOM 643 CB GLN A 41 33.623 24.906 18.522 1.00 0.00 C ATOM 644 CG GLN A 41 32.279 25.358 19.106 1.00 0.00 C ATOM 645 CD GLN A 41 31.528 26.226 18.104 1.00 0.00 C ATOM 646 OE1 GLN A 41 30.331 26.416 18.284 1.00 0.00 O ATOM 647 NE2 GLN A 41 32.073 26.674 16.978 1.00 0.00 N ATOM 0 H GLN A 41 35.022 23.189 17.587 1.00 0.00 H new ATOM 0 HA GLN A 41 34.498 24.247 20.365 1.00 0.00 H new ATOM 0 HB2 GLN A 41 34.297 25.759 18.448 1.00 0.00 H new ATOM 0 HB3 GLN A 41 33.475 24.528 17.510 1.00 0.00 H new ATOM 0 HG2 GLN A 41 31.677 24.487 19.365 1.00 0.00 H new ATOM 0 HG3 GLN A 41 32.445 25.916 20.027 1.00 0.00 H new ATOM 0 HE21 GLN A 41 33.067 26.531 16.800 1.00 0.00 H new ATOM 0 HE22 GLN A 41 31.497 27.161 16.291 1.00 0.00 H new ATOM 656 N ARG A 42 32.965 22.507 20.990 1.00 0.00 N ATOM 657 CA ARG A 42 32.310 21.316 21.499 1.00 0.00 C ATOM 658 C ARG A 42 31.298 21.907 22.482 1.00 0.00 C ATOM 659 O ARG A 42 31.587 22.903 23.144 1.00 0.00 O ATOM 660 CB ARG A 42 33.295 20.250 21.949 1.00 0.00 C ATOM 661 CG ARG A 42 32.702 18.977 22.540 1.00 0.00 C ATOM 662 CD ARG A 42 33.774 17.966 22.952 1.00 0.00 C ATOM 663 NE ARG A 42 34.396 17.401 21.756 1.00 0.00 N ATOM 664 CZ ARG A 42 35.647 17.559 21.304 1.00 0.00 C ATOM 665 NH1 ARG A 42 36.467 18.440 21.874 1.00 0.00 N ATOM 666 NH2 ARG A 42 36.116 16.736 20.355 1.00 0.00 N ATOM 0 H ARG A 42 33.047 23.258 21.676 1.00 0.00 H new ATOM 0 HA ARG A 42 31.774 20.697 20.779 1.00 0.00 H new ATOM 0 HB2 ARG A 42 33.911 19.973 21.094 1.00 0.00 H new ATOM 0 HB3 ARG A 42 33.960 20.692 22.691 1.00 0.00 H new ATOM 0 HG2 ARG A 42 32.095 19.232 23.409 1.00 0.00 H new ATOM 0 HG3 ARG A 42 32.036 18.518 21.810 1.00 0.00 H new ATOM 0 HD2 ARG A 42 34.528 18.451 23.572 1.00 0.00 H new ATOM 0 HD3 ARG A 42 33.329 17.173 23.553 1.00 0.00 H new ATOM 0 HE ARG A 42 33.795 16.804 21.187 1.00 0.00 H new ATOM 0 HH11 ARG A 42 36.144 19.002 22.662 1.00 0.00 H new ATOM 0 HH12 ARG A 42 37.418 18.553 21.523 1.00 0.00 H new ATOM 0 HH21 ARG A 42 35.521 15.996 19.982 1.00 0.00 H new ATOM 0 HH22 ARG A 42 37.068 16.850 20.006 1.00 0.00 H new ATOM 680 N LEU A 43 30.063 21.421 22.356 1.00 0.00 N ATOM 681 CA LEU A 43 28.885 22.056 22.914 1.00 0.00 C ATOM 682 C LEU A 43 28.279 21.164 23.991 1.00 0.00 C ATOM 683 O LEU A 43 28.182 19.941 23.847 1.00 0.00 O ATOM 684 CB LEU A 43 27.827 22.286 21.837 1.00 0.00 C ATOM 685 CG LEU A 43 27.966 23.581 21.041 1.00 0.00 C ATOM 686 CD1 LEU A 43 29.245 23.721 20.231 1.00 0.00 C ATOM 687 CD2 LEU A 43 26.749 23.763 20.140 1.00 0.00 C ATOM 0 H LEU A 43 29.857 20.558 21.852 1.00 0.00 H new ATOM 0 HA LEU A 43 29.190 23.014 23.335 1.00 0.00 H new ATOM 0 HB2 LEU A 43 27.855 21.448 21.141 1.00 0.00 H new ATOM 0 HB3 LEU A 43 26.845 22.275 22.310 1.00 0.00 H new ATOM 0 HG LEU A 43 28.025 24.372 21.789 1.00 0.00 H new ATOM 0 HD11 LEU A 43 29.240 24.676 19.705 1.00 0.00 H new ATOM 0 HD12 LEU A 43 30.105 23.679 20.899 1.00 0.00 H new ATOM 0 HD13 LEU A 43 29.308 22.909 19.507 1.00 0.00 H new ATOM 0 HD21 LEU A 43 26.851 24.688 19.573 1.00 0.00 H new ATOM 0 HD22 LEU A 43 26.677 22.921 19.451 1.00 0.00 H new ATOM 0 HD23 LEU A 43 25.848 23.810 20.751 1.00 0.00 H new ATOM 699 N ILE A 44 27.786 21.766 25.072 1.00 0.00 N ATOM 700 CA ILE A 44 27.171 21.270 26.286 1.00 0.00 C ATOM 701 C ILE A 44 25.849 21.993 26.528 1.00 0.00 C ATOM 702 O ILE A 44 25.699 23.210 26.384 1.00 0.00 O ATOM 703 CB ILE A 44 28.292 21.430 27.322 1.00 0.00 C ATOM 704 CG1 ILE A 44 29.564 20.613 27.099 1.00 0.00 C ATOM 705 CG2 ILE A 44 27.786 21.217 28.748 1.00 0.00 C ATOM 706 CD1 ILE A 44 30.693 21.179 27.961 1.00 0.00 C ATOM 0 H ILE A 44 27.821 22.785 25.111 1.00 0.00 H new ATOM 0 HA ILE A 44 26.845 20.230 26.291 1.00 0.00 H new ATOM 0 HB ILE A 44 28.597 22.466 27.173 1.00 0.00 H new ATOM 0 HG12 ILE A 44 29.387 19.568 27.354 1.00 0.00 H new ATOM 0 HG13 ILE A 44 29.847 20.641 26.047 1.00 0.00 H new ATOM 0 HG21 ILE A 44 28.612 21.339 29.449 1.00 0.00 H new ATOM 0 HG22 ILE A 44 27.009 21.948 28.971 1.00 0.00 H new ATOM 0 HG23 ILE A 44 27.376 20.211 28.842 1.00 0.00 H new ATOM 0 HD11 ILE A 44 31.600 20.596 27.801 1.00 0.00 H new ATOM 0 HD12 ILE A 44 30.876 22.217 27.685 1.00 0.00 H new ATOM 0 HD13 ILE A 44 30.409 21.128 29.012 1.00 0.00 H new ATOM 718 N PHE A 45 24.852 21.214 26.952 1.00 0.00 N ATOM 719 CA PHE A 45 23.496 21.519 27.357 1.00 0.00 C ATOM 720 C PHE A 45 23.032 20.488 28.390 1.00 0.00 C ATOM 721 O PHE A 45 22.673 19.374 28.027 1.00 0.00 O ATOM 722 CB PHE A 45 22.551 21.608 26.155 1.00 0.00 C ATOM 723 CG PHE A 45 21.150 22.096 26.376 1.00 0.00 C ATOM 724 CD1 PHE A 45 21.065 23.474 26.613 1.00 0.00 C ATOM 725 CD2 PHE A 45 19.972 21.336 26.514 1.00 0.00 C ATOM 726 CE1 PHE A 45 19.862 24.106 26.960 1.00 0.00 C ATOM 727 CE2 PHE A 45 18.749 21.978 26.670 1.00 0.00 C ATOM 728 CZ PHE A 45 18.683 23.364 26.887 1.00 0.00 C ATOM 0 H PHE A 45 25.013 20.209 27.026 1.00 0.00 H new ATOM 0 HA PHE A 45 23.476 22.504 27.822 1.00 0.00 H new ATOM 0 HB2 PHE A 45 23.016 22.261 25.416 1.00 0.00 H new ATOM 0 HB3 PHE A 45 22.489 20.615 25.709 1.00 0.00 H new ATOM 0 HD1 PHE A 45 21.960 24.072 26.525 1.00 0.00 H new ATOM 0 HD2 PHE A 45 20.019 20.257 26.499 1.00 0.00 H new ATOM 0 HE1 PHE A 45 19.849 25.139 27.275 1.00 0.00 H new ATOM 0 HE2 PHE A 45 17.836 21.403 26.624 1.00 0.00 H new ATOM 0 HZ PHE A 45 17.726 23.852 26.997 1.00 0.00 H new ATOM 738 N ALA A 46 22.853 20.905 29.642 1.00 0.00 N ATOM 739 CA ALA A 46 22.281 20.069 30.670 1.00 0.00 C ATOM 740 C ALA A 46 23.171 18.890 31.098 1.00 0.00 C ATOM 741 O ALA A 46 22.656 17.801 31.340 1.00 0.00 O ATOM 742 CB ALA A 46 20.812 19.693 30.446 1.00 0.00 C ATOM 0 H ALA A 46 23.106 21.840 29.963 1.00 0.00 H new ATOM 0 HA ALA A 46 22.256 20.720 31.544 1.00 0.00 H new ATOM 0 HB1 ALA A 46 20.468 19.065 31.267 1.00 0.00 H new ATOM 0 HB2 ALA A 46 20.207 20.599 30.404 1.00 0.00 H new ATOM 0 HB3 ALA A 46 20.715 19.148 29.507 1.00 0.00 H new ATOM 748 N GLY A 47 24.488 19.071 31.029 1.00 0.00 N ATOM 749 CA GLY A 47 25.488 18.061 31.309 1.00 0.00 C ATOM 750 C GLY A 47 25.784 17.206 30.074 1.00 0.00 C ATOM 751 O GLY A 47 26.851 16.602 29.963 1.00 0.00 O ATOM 0 H GLY A 47 24.898 19.967 30.764 1.00 0.00 H new ATOM 0 HA2 GLY A 47 26.406 18.541 31.649 1.00 0.00 H new ATOM 0 HA3 GLY A 47 25.143 17.421 32.121 1.00 0.00 H new ATOM 755 N LYS A 48 24.851 17.134 29.134 1.00 0.00 N ATOM 756 CA LYS A 48 24.987 16.357 27.914 1.00 0.00 C ATOM 757 C LYS A 48 25.959 17.149 27.039 1.00 0.00 C ATOM 758 O LYS A 48 25.647 18.276 26.660 1.00 0.00 O ATOM 759 CB LYS A 48 23.613 16.182 27.281 1.00 0.00 C ATOM 760 CG LYS A 48 22.598 15.470 28.184 1.00 0.00 C ATOM 761 CD LYS A 48 21.542 14.687 27.396 1.00 0.00 C ATOM 762 CE LYS A 48 20.485 14.055 28.287 1.00 0.00 C ATOM 763 NZ LYS A 48 19.616 13.267 27.384 1.00 0.00 N ATOM 0 H LYS A 48 23.960 17.626 29.202 1.00 0.00 H new ATOM 0 HA LYS A 48 25.374 15.350 28.073 1.00 0.00 H new ATOM 0 HB2 LYS A 48 23.220 17.163 27.012 1.00 0.00 H new ATOM 0 HB3 LYS A 48 23.720 15.617 26.355 1.00 0.00 H new ATOM 0 HG2 LYS A 48 23.127 14.788 28.849 1.00 0.00 H new ATOM 0 HG3 LYS A 48 22.101 16.207 28.814 1.00 0.00 H new ATOM 0 HD2 LYS A 48 21.057 15.356 26.685 1.00 0.00 H new ATOM 0 HD3 LYS A 48 22.034 13.907 26.816 1.00 0.00 H new ATOM 0 HE2 LYS A 48 20.942 13.418 29.044 1.00 0.00 H new ATOM 0 HE3 LYS A 48 19.912 14.817 28.815 1.00 0.00 H new ATOM 0 HZ1 LYS A 48 18.866 12.806 27.938 1.00 0.00 H new ATOM 0 HZ2 LYS A 48 19.186 13.898 26.678 1.00 0.00 H new ATOM 0 HZ3 LYS A 48 20.184 12.542 26.900 1.00 0.00 H new ATOM 777 N GLN A 49 26.996 16.429 26.607 1.00 0.00 N ATOM 778 CA GLN A 49 27.886 16.680 25.494 1.00 0.00 C ATOM 779 C GLN A 49 27.082 16.415 24.219 1.00 0.00 C ATOM 780 O GLN A 49 26.818 15.243 23.959 1.00 0.00 O ATOM 781 CB GLN A 49 29.184 15.880 25.641 1.00 0.00 C ATOM 782 CG GLN A 49 30.229 16.279 24.602 1.00 0.00 C ATOM 783 CD GLN A 49 30.289 15.683 23.197 1.00 0.00 C ATOM 784 OE1 GLN A 49 31.049 16.136 22.348 1.00 0.00 O ATOM 785 NE2 GLN A 49 29.662 14.531 22.956 1.00 0.00 N ATOM 0 H GLN A 49 27.252 15.566 27.086 1.00 0.00 H new ATOM 0 HA GLN A 49 28.234 17.712 25.456 1.00 0.00 H new ATOM 0 HB2 GLN A 49 29.591 16.032 26.640 1.00 0.00 H new ATOM 0 HB3 GLN A 49 28.966 14.816 25.544 1.00 0.00 H new ATOM 0 HG2 GLN A 49 30.139 17.358 24.474 1.00 0.00 H new ATOM 0 HG3 GLN A 49 31.202 16.092 25.057 1.00 0.00 H new ATOM 0 HE21 GLN A 49 29.027 14.141 23.652 1.00 0.00 H new ATOM 0 HE22 GLN A 49 29.818 14.040 22.076 1.00 0.00 H new ATOM 794 N LEU A 50 26.779 17.462 23.471 1.00 0.00 N ATOM 795 CA LEU A 50 26.006 17.361 22.246 1.00 0.00 C ATOM 796 C LEU A 50 27.015 16.950 21.161 1.00 0.00 C ATOM 797 O LEU A 50 28.069 17.540 20.950 1.00 0.00 O ATOM 798 CB LEU A 50 25.362 18.702 21.875 1.00 0.00 C ATOM 799 CG LEU A 50 24.521 19.340 22.974 1.00 0.00 C ATOM 800 CD1 LEU A 50 23.972 20.672 22.456 1.00 0.00 C ATOM 801 CD2 LEU A 50 23.484 18.354 23.518 1.00 0.00 C ATOM 0 H LEU A 50 27.065 18.414 23.699 1.00 0.00 H new ATOM 0 HA LEU A 50 25.192 16.644 22.356 1.00 0.00 H new ATOM 0 HB2 LEU A 50 26.150 19.399 21.590 1.00 0.00 H new ATOM 0 HB3 LEU A 50 24.733 18.555 20.997 1.00 0.00 H new ATOM 0 HG LEU A 50 25.123 19.580 23.850 1.00 0.00 H new ATOM 0 HD11 LEU A 50 23.367 21.142 23.231 1.00 0.00 H new ATOM 0 HD12 LEU A 50 24.801 21.330 22.193 1.00 0.00 H new ATOM 0 HD13 LEU A 50 23.357 20.494 21.574 1.00 0.00 H new ATOM 0 HD21 LEU A 50 22.899 18.837 24.301 1.00 0.00 H new ATOM 0 HD22 LEU A 50 22.822 18.040 22.711 1.00 0.00 H new ATOM 0 HD23 LEU A 50 23.992 17.482 23.930 1.00 0.00 H new ATOM 813 N GLU A 51 26.665 15.896 20.427 1.00 0.00 N ATOM 814 CA GLU A 51 27.452 15.312 19.367 1.00 0.00 C ATOM 815 C GLU A 51 27.349 16.137 18.076 1.00 0.00 C ATOM 816 O GLU A 51 26.363 16.809 17.809 1.00 0.00 O ATOM 817 CB GLU A 51 27.194 13.821 19.130 1.00 0.00 C ATOM 818 CG GLU A 51 27.111 13.031 20.434 1.00 0.00 C ATOM 819 CD GLU A 51 25.768 12.580 20.974 1.00 0.00 C ATOM 820 OE1 GLU A 51 24.776 13.293 20.727 1.00 0.00 O ATOM 821 OE2 GLU A 51 25.734 11.473 21.552 1.00 0.00 O ATOM 0 H GLU A 51 25.780 15.409 20.570 1.00 0.00 H new ATOM 0 HA GLU A 51 28.485 15.354 19.713 1.00 0.00 H new ATOM 0 HB2 GLU A 51 26.264 13.700 18.575 1.00 0.00 H new ATOM 0 HB3 GLU A 51 27.991 13.411 18.510 1.00 0.00 H new ATOM 0 HG2 GLU A 51 27.724 12.139 20.310 1.00 0.00 H new ATOM 0 HG3 GLU A 51 27.583 13.636 21.208 1.00 0.00 H new ATOM 828 N ASP A 52 28.330 15.945 17.209 1.00 0.00 N ATOM 829 CA ASP A 52 28.301 16.530 15.883 1.00 0.00 C ATOM 830 C ASP A 52 27.284 15.761 15.035 1.00 0.00 C ATOM 831 O ASP A 52 27.345 14.538 15.017 1.00 0.00 O ATOM 832 CB ASP A 52 29.630 16.487 15.115 1.00 0.00 C ATOM 833 CG ASP A 52 30.648 17.372 15.832 1.00 0.00 C ATOM 834 OD1 ASP A 52 30.673 18.544 15.424 1.00 0.00 O ATOM 835 OD2 ASP A 52 31.445 16.895 16.662 1.00 0.00 O ATOM 0 H ASP A 52 29.160 15.385 17.404 1.00 0.00 H new ATOM 0 HA ASP A 52 28.052 17.580 16.039 1.00 0.00 H new ATOM 0 HB2 ASP A 52 29.998 15.463 15.056 1.00 0.00 H new ATOM 0 HB3 ASP A 52 29.485 16.833 14.092 1.00 0.00 H new ATOM 840 N GLY A 53 26.424 16.473 14.322 1.00 0.00 N ATOM 841 CA GLY A 53 25.408 15.896 13.453 1.00 0.00 C ATOM 842 C GLY A 53 24.020 15.936 14.099 1.00 0.00 C ATOM 843 O GLY A 53 23.076 15.798 13.319 1.00 0.00 O ATOM 0 H GLY A 53 26.413 17.493 14.332 1.00 0.00 H new ATOM 0 HA2 GLY A 53 25.386 16.440 12.509 1.00 0.00 H new ATOM 0 HA3 GLY A 53 25.671 14.864 13.220 1.00 0.00 H new ATOM 847 N ARG A 54 23.831 16.156 15.391 1.00 0.00 N ATOM 848 CA ARG A 54 22.534 16.349 16.019 1.00 0.00 C ATOM 849 C ARG A 54 21.921 17.737 15.808 1.00 0.00 C ATOM 850 O ARG A 54 22.649 18.603 15.315 1.00 0.00 O ATOM 851 CB ARG A 54 22.791 16.211 17.519 1.00 0.00 C ATOM 852 CG ARG A 54 23.416 14.909 18.019 1.00 0.00 C ATOM 853 CD ARG A 54 22.463 13.720 18.037 1.00 0.00 C ATOM 854 NE ARG A 54 23.074 12.676 18.855 1.00 0.00 N ATOM 855 CZ ARG A 54 22.876 11.351 18.769 1.00 0.00 C ATOM 856 NH1 ARG A 54 21.907 10.923 17.961 1.00 0.00 N ATOM 857 NH2 ARG A 54 23.405 10.458 19.623 1.00 0.00 N ATOM 0 H ARG A 54 24.604 16.207 16.054 1.00 0.00 H new ATOM 0 HA ARG A 54 21.839 15.630 15.585 1.00 0.00 H new ATOM 0 HB2 ARG A 54 23.439 17.032 17.825 1.00 0.00 H new ATOM 0 HB3 ARG A 54 21.841 16.346 18.035 1.00 0.00 H new ATOM 0 HG2 ARG A 54 24.271 14.665 17.388 1.00 0.00 H new ATOM 0 HG3 ARG A 54 23.799 15.068 19.027 1.00 0.00 H new ATOM 0 HD2 ARG A 54 21.496 14.011 18.447 1.00 0.00 H new ATOM 0 HD3 ARG A 54 22.284 13.358 17.025 1.00 0.00 H new ATOM 0 HE ARG A 54 23.726 12.989 19.574 1.00 0.00 H new ATOM 0 HH11 ARG A 54 21.347 11.595 17.436 1.00 0.00 H new ATOM 0 HH12 ARG A 54 21.725 9.924 17.868 1.00 0.00 H new ATOM 0 HH21 ARG A 54 23.996 10.775 20.392 1.00 0.00 H new ATOM 0 HH22 ARG A 54 23.216 9.463 19.503 1.00 0.00 H new ATOM 871 N THR A 55 20.607 17.785 15.996 1.00 0.00 N ATOM 872 CA THR A 55 19.890 19.040 15.973 1.00 0.00 C ATOM 873 C THR A 55 19.472 19.453 17.387 1.00 0.00 C ATOM 874 O THR A 55 19.688 18.643 18.291 1.00 0.00 O ATOM 875 CB THR A 55 18.617 18.923 15.143 1.00 0.00 C ATOM 876 OG1 THR A 55 17.660 18.110 15.788 1.00 0.00 O ATOM 877 CG2 THR A 55 18.812 18.337 13.752 1.00 0.00 C ATOM 0 H THR A 55 20.023 16.966 16.165 1.00 0.00 H new ATOM 0 HA THR A 55 20.562 19.781 15.540 1.00 0.00 H new ATOM 0 HB THR A 55 18.284 19.956 15.041 1.00 0.00 H new ATOM 0 HG1 THR A 55 18.046 17.226 15.962 1.00 0.00 H new ATOM 0 HG21 THR A 55 17.852 18.293 13.238 1.00 0.00 H new ATOM 0 HG22 THR A 55 19.499 18.966 13.185 1.00 0.00 H new ATOM 0 HG23 THR A 55 19.225 17.332 13.835 1.00 0.00 H new ATOM 885 N LEU A 56 18.764 20.564 17.526 1.00 0.00 N ATOM 886 CA LEU A 56 18.153 21.101 18.723 1.00 0.00 C ATOM 887 C LEU A 56 16.823 20.392 18.966 1.00 0.00 C ATOM 888 O LEU A 56 16.308 20.363 20.080 1.00 0.00 O ATOM 889 CB LEU A 56 18.075 22.626 18.609 1.00 0.00 C ATOM 890 CG LEU A 56 19.096 23.373 17.756 1.00 0.00 C ATOM 891 CD1 LEU A 56 18.970 24.903 17.760 1.00 0.00 C ATOM 892 CD2 LEU A 56 20.602 23.138 17.906 1.00 0.00 C ATOM 0 H LEU A 56 18.589 21.167 16.722 1.00 0.00 H new ATOM 0 HA LEU A 56 18.752 20.909 19.613 1.00 0.00 H new ATOM 0 HB2 LEU A 56 17.086 22.874 18.224 1.00 0.00 H new ATOM 0 HB3 LEU A 56 18.135 23.032 19.619 1.00 0.00 H new ATOM 0 HG LEU A 56 18.773 22.881 16.838 1.00 0.00 H new ATOM 0 HD11 LEU A 56 19.743 25.333 17.123 1.00 0.00 H new ATOM 0 HD12 LEU A 56 17.988 25.188 17.383 1.00 0.00 H new ATOM 0 HD13 LEU A 56 19.090 25.275 18.777 1.00 0.00 H new ATOM 0 HD21 LEU A 56 21.141 23.773 17.203 1.00 0.00 H new ATOM 0 HD22 LEU A 56 20.909 23.382 18.923 1.00 0.00 H new ATOM 0 HD23 LEU A 56 20.829 22.092 17.699 1.00 0.00 H new ATOM 904 N SER A 57 16.253 19.730 17.952 1.00 0.00 N ATOM 905 CA SER A 57 15.081 18.875 18.021 1.00 0.00 C ATOM 906 C SER A 57 15.441 17.503 18.603 1.00 0.00 C ATOM 907 O SER A 57 14.539 16.860 19.129 1.00 0.00 O ATOM 908 CB SER A 57 14.550 18.886 16.593 1.00 0.00 C ATOM 909 OG SER A 57 13.248 18.352 16.465 1.00 0.00 O ATOM 0 H SER A 57 16.628 19.787 17.005 1.00 0.00 H new ATOM 0 HA SER A 57 14.300 19.212 18.703 1.00 0.00 H new ATOM 0 HB2 SER A 57 14.550 19.911 16.223 1.00 0.00 H new ATOM 0 HB3 SER A 57 15.230 18.318 15.958 1.00 0.00 H new ATOM 0 HG SER A 57 12.969 18.391 15.526 1.00 0.00 H new ATOM 915 N ASP A 58 16.692 17.097 18.396 1.00 0.00 N ATOM 916 CA ASP A 58 17.177 15.892 19.041 1.00 0.00 C ATOM 917 C ASP A 58 17.252 15.942 20.574 1.00 0.00 C ATOM 918 O ASP A 58 17.198 14.981 21.340 1.00 0.00 O ATOM 919 CB ASP A 58 18.576 15.539 18.549 1.00 0.00 C ATOM 920 CG ASP A 58 18.624 14.917 17.164 1.00 0.00 C ATOM 921 OD1 ASP A 58 18.126 13.794 16.927 1.00 0.00 O ATOM 922 OD2 ASP A 58 19.385 15.477 16.344 1.00 0.00 O ATOM 0 H ASP A 58 17.369 17.575 17.801 1.00 0.00 H new ATOM 0 HA ASP A 58 16.431 15.146 18.768 1.00 0.00 H new ATOM 0 HB2 ASP A 58 19.185 16.443 18.548 1.00 0.00 H new ATOM 0 HB3 ASP A 58 19.032 14.849 19.258 1.00 0.00 H new ATOM 927 N TYR A 59 17.504 17.156 21.033 1.00 0.00 N ATOM 928 CA TYR A 59 17.775 17.515 22.410 1.00 0.00 C ATOM 929 C TYR A 59 16.752 18.460 23.060 1.00 0.00 C ATOM 930 O TYR A 59 16.946 19.094 24.092 1.00 0.00 O ATOM 931 CB TYR A 59 19.206 17.984 22.663 1.00 0.00 C ATOM 932 CG TYR A 59 20.126 16.795 22.571 1.00 0.00 C ATOM 933 CD1 TYR A 59 20.224 15.889 23.642 1.00 0.00 C ATOM 934 CD2 TYR A 59 20.828 16.627 21.375 1.00 0.00 C ATOM 935 CE1 TYR A 59 21.020 14.747 23.496 1.00 0.00 C ATOM 936 CE2 TYR A 59 21.617 15.473 21.279 1.00 0.00 C ATOM 937 CZ TYR A 59 21.764 14.553 22.321 1.00 0.00 C ATOM 938 OH TYR A 59 22.723 13.594 22.209 1.00 0.00 O ATOM 0 H TYR A 59 17.526 17.966 20.413 1.00 0.00 H new ATOM 0 HA TYR A 59 17.655 16.560 22.922 1.00 0.00 H new ATOM 0 HB2 TYR A 59 19.491 18.740 21.931 1.00 0.00 H new ATOM 0 HB3 TYR A 59 19.284 18.447 23.647 1.00 0.00 H new ATOM 0 HD1 TYR A 59 19.693 16.072 24.564 1.00 0.00 H new ATOM 0 HD2 TYR A 59 20.766 17.345 20.571 1.00 0.00 H new ATOM 0 HE1 TYR A 59 21.062 14.014 24.288 1.00 0.00 H new ATOM 0 HE2 TYR A 59 22.138 15.285 20.352 1.00 0.00 H new ATOM 0 HH TYR A 59 23.436 13.912 21.617 1.00 0.00 H new ATOM 948 N ASN A 60 15.638 18.720 22.382 1.00 0.00 N ATOM 949 CA ASN A 60 14.431 19.290 22.949 1.00 0.00 C ATOM 950 C ASN A 60 14.410 20.731 23.468 1.00 0.00 C ATOM 951 O ASN A 60 13.832 21.116 24.477 1.00 0.00 O ATOM 952 CB ASN A 60 13.763 18.318 23.916 1.00 0.00 C ATOM 953 CG ASN A 60 13.482 16.939 23.337 1.00 0.00 C ATOM 954 OD1 ASN A 60 13.419 16.836 22.115 1.00 0.00 O ATOM 955 ND2 ASN A 60 13.268 15.916 24.158 1.00 0.00 N ATOM 0 H ASN A 60 15.553 18.530 21.383 1.00 0.00 H new ATOM 0 HA ASN A 60 13.839 19.429 22.044 1.00 0.00 H new ATOM 0 HB2 ASN A 60 14.399 18.206 24.794 1.00 0.00 H new ATOM 0 HB3 ASN A 60 12.823 18.753 24.256 1.00 0.00 H new ATOM 0 HD21 ASN A 60 13.040 14.997 23.779 1.00 0.00 H new ATOM 0 HD22 ASN A 60 13.332 16.050 25.167 1.00 0.00 H new ATOM 962 N ILE A 61 15.100 21.577 22.713 1.00 0.00 N ATOM 963 CA ILE A 61 15.472 22.892 23.206 1.00 0.00 C ATOM 964 C ILE A 61 14.386 23.932 22.913 1.00 0.00 C ATOM 965 O ILE A 61 13.936 24.067 21.776 1.00 0.00 O ATOM 966 CB ILE A 61 16.885 23.242 22.738 1.00 0.00 C ATOM 967 CG1 ILE A 61 17.927 22.152 23.040 1.00 0.00 C ATOM 968 CG2 ILE A 61 17.366 24.611 23.233 1.00 0.00 C ATOM 969 CD1 ILE A 61 19.416 22.497 22.985 1.00 0.00 C ATOM 0 H ILE A 61 15.411 21.375 21.763 1.00 0.00 H new ATOM 0 HA ILE A 61 15.525 22.889 24.295 1.00 0.00 H new ATOM 0 HB ILE A 61 16.797 23.301 21.653 1.00 0.00 H new ATOM 0 HG12 ILE A 61 17.718 21.768 24.038 1.00 0.00 H new ATOM 0 HG13 ILE A 61 17.755 21.334 22.341 1.00 0.00 H new ATOM 0 HG21 ILE A 61 18.375 24.797 22.865 1.00 0.00 H new ATOM 0 HG22 ILE A 61 16.696 25.387 22.863 1.00 0.00 H new ATOM 0 HG23 ILE A 61 17.369 24.623 24.323 1.00 0.00 H new ATOM 0 HD11 ILE A 61 20.004 21.611 23.225 1.00 0.00 H new ATOM 0 HD12 ILE A 61 19.673 22.843 21.984 1.00 0.00 H new ATOM 0 HD13 ILE A 61 19.634 23.284 23.707 1.00 0.00 H new ATOM 981 N GLN A 62 13.989 24.647 23.965 1.00 0.00 N ATOM 982 CA GLN A 62 12.964 25.674 23.924 1.00 0.00 C ATOM 983 C GLN A 62 13.480 27.108 23.820 1.00 0.00 C ATOM 984 O GLN A 62 14.662 27.432 23.865 1.00 0.00 O ATOM 985 CB GLN A 62 12.131 25.513 25.199 1.00 0.00 C ATOM 986 CG GLN A 62 10.894 24.619 25.106 1.00 0.00 C ATOM 987 CD GLN A 62 10.219 24.349 26.447 1.00 0.00 C ATOM 988 OE1 GLN A 62 9.023 24.077 26.531 1.00 0.00 O ATOM 989 NE2 GLN A 62 10.881 24.578 27.577 1.00 0.00 N ATOM 0 H GLN A 62 14.388 24.519 24.895 1.00 0.00 H new ATOM 0 HA GLN A 62 12.388 25.529 23.010 1.00 0.00 H new ATOM 0 HB2 GLN A 62 12.779 25.116 25.980 1.00 0.00 H new ATOM 0 HB3 GLN A 62 11.811 26.503 25.523 1.00 0.00 H new ATOM 0 HG2 GLN A 62 10.172 25.085 24.435 1.00 0.00 H new ATOM 0 HG3 GLN A 62 11.179 23.668 24.657 1.00 0.00 H new ATOM 0 HE21 GLN A 62 11.875 24.807 27.549 1.00 0.00 H new ATOM 0 HE22 GLN A 62 10.395 24.525 28.472 1.00 0.00 H new ATOM 998 N LYS A 63 12.587 28.041 23.474 1.00 0.00 N ATOM 999 CA LYS A 63 12.893 29.399 23.093 1.00 0.00 C ATOM 1000 C LYS A 63 13.522 30.088 24.309 1.00 0.00 C ATOM 1001 O LYS A 63 12.966 29.893 25.393 1.00 0.00 O ATOM 1002 CB LYS A 63 11.525 30.007 22.784 1.00 0.00 C ATOM 1003 CG LYS A 63 11.609 31.379 22.116 1.00 0.00 C ATOM 1004 CD LYS A 63 11.656 32.556 23.089 1.00 0.00 C ATOM 1005 CE LYS A 63 11.433 33.938 22.481 1.00 0.00 C ATOM 1006 NZ LYS A 63 11.424 35.071 23.423 1.00 0.00 N ATOM 0 H LYS A 63 11.586 27.847 23.455 1.00 0.00 H new ATOM 0 HA LYS A 63 13.579 29.491 22.251 1.00 0.00 H new ATOM 0 HB2 LYS A 63 10.972 29.328 22.135 1.00 0.00 H new ATOM 0 HB3 LYS A 63 10.957 30.096 23.710 1.00 0.00 H new ATOM 0 HG2 LYS A 63 12.498 31.409 21.487 1.00 0.00 H new ATOM 0 HG3 LYS A 63 10.749 31.502 21.458 1.00 0.00 H new ATOM 0 HD2 LYS A 63 10.902 32.394 23.860 1.00 0.00 H new ATOM 0 HD3 LYS A 63 12.626 32.552 23.586 1.00 0.00 H new ATOM 0 HE2 LYS A 63 12.212 34.116 21.740 1.00 0.00 H new ATOM 0 HE3 LYS A 63 10.482 33.928 21.948 1.00 0.00 H new ATOM 0 HZ1 LYS A 63 10.738 35.784 23.102 1.00 0.00 H new ATOM 0 HZ2 LYS A 63 11.155 34.734 24.369 1.00 0.00 H new ATOM 0 HZ3 LYS A 63 12.372 35.496 23.464 1.00 0.00 H new ATOM 1020 N GLU A 64 14.685 30.701 24.121 1.00 0.00 N ATOM 1021 CA GLU A 64 15.389 31.490 25.109 1.00 0.00 C ATOM 1022 C GLU A 64 16.418 30.695 25.908 1.00 0.00 C ATOM 1023 O GLU A 64 17.007 31.150 26.884 1.00 0.00 O ATOM 1024 CB GLU A 64 14.640 32.514 25.967 1.00 0.00 C ATOM 1025 CG GLU A 64 14.885 34.027 25.954 1.00 0.00 C ATOM 1026 CD GLU A 64 14.440 34.632 24.624 1.00 0.00 C ATOM 1027 OE1 GLU A 64 14.795 34.137 23.529 1.00 0.00 O ATOM 1028 OE2 GLU A 64 13.746 35.669 24.554 1.00 0.00 O ATOM 0 H GLU A 64 15.181 30.655 23.231 1.00 0.00 H new ATOM 0 HA GLU A 64 15.902 32.167 24.426 1.00 0.00 H new ATOM 0 HB2 GLU A 64 13.583 32.381 25.735 1.00 0.00 H new ATOM 0 HB3 GLU A 64 14.782 32.198 27.000 1.00 0.00 H new ATOM 0 HG2 GLU A 64 14.340 34.496 26.773 1.00 0.00 H new ATOM 0 HG3 GLU A 64 15.943 34.231 26.117 1.00 0.00 H new ATOM 1035 N SER A 65 16.646 29.425 25.605 1.00 0.00 N ATOM 1036 CA SER A 65 17.542 28.512 26.281 1.00 0.00 C ATOM 1037 C SER A 65 18.981 29.041 26.204 1.00 0.00 C ATOM 1038 O SER A 65 19.438 29.434 25.135 1.00 0.00 O ATOM 1039 CB SER A 65 17.528 27.047 25.842 1.00 0.00 C ATOM 1040 OG SER A 65 16.233 26.523 26.064 1.00 0.00 O ATOM 0 H SER A 65 16.171 28.978 24.821 1.00 0.00 H new ATOM 0 HA SER A 65 17.151 28.490 27.298 1.00 0.00 H new ATOM 0 HB2 SER A 65 17.794 26.965 24.788 1.00 0.00 H new ATOM 0 HB3 SER A 65 18.268 26.477 26.403 1.00 0.00 H new ATOM 0 HG SER A 65 15.638 26.803 25.337 1.00 0.00 H new ATOM 1046 N THR A 66 19.813 28.871 27.222 1.00 0.00 N ATOM 1047 CA THR A 66 21.232 29.147 27.186 1.00 0.00 C ATOM 1048 C THR A 66 22.092 27.940 26.812 1.00 0.00 C ATOM 1049 O THR A 66 22.069 26.980 27.589 1.00 0.00 O ATOM 1050 CB THR A 66 21.694 29.592 28.578 1.00 0.00 C ATOM 1051 OG1 THR A 66 20.935 30.771 28.795 1.00 0.00 O ATOM 1052 CG2 THR A 66 23.095 30.206 28.628 1.00 0.00 C ATOM 0 H THR A 66 19.500 28.523 28.128 1.00 0.00 H new ATOM 0 HA THR A 66 21.362 29.913 26.422 1.00 0.00 H new ATOM 0 HB THR A 66 21.622 28.729 29.240 1.00 0.00 H new ATOM 0 HG1 THR A 66 21.155 31.145 29.674 1.00 0.00 H new ATOM 0 HG21 THR A 66 23.332 30.489 29.654 1.00 0.00 H new ATOM 0 HG22 THR A 66 23.825 29.477 28.275 1.00 0.00 H new ATOM 0 HG23 THR A 66 23.128 31.090 27.991 1.00 0.00 H new ATOM 1060 N LEU A 67 22.808 28.004 25.704 1.00 0.00 N ATOM 1061 CA LEU A 67 23.652 26.897 25.280 1.00 0.00 C ATOM 1062 C LEU A 67 25.111 27.269 25.504 1.00 0.00 C ATOM 1063 O LEU A 67 25.527 28.393 25.249 1.00 0.00 O ATOM 1064 CB LEU A 67 23.510 26.768 23.765 1.00 0.00 C ATOM 1065 CG LEU A 67 24.259 25.713 22.957 1.00 0.00 C ATOM 1066 CD1 LEU A 67 24.152 24.275 23.475 1.00 0.00 C ATOM 1067 CD2 LEU A 67 23.861 25.796 21.483 1.00 0.00 C ATOM 0 H LEU A 67 22.823 28.811 25.080 1.00 0.00 H new ATOM 0 HA LEU A 67 23.372 25.994 25.823 1.00 0.00 H new ATOM 0 HB2 LEU A 67 22.449 26.620 23.563 1.00 0.00 H new ATOM 0 HB3 LEU A 67 23.783 27.735 23.343 1.00 0.00 H new ATOM 0 HG LEU A 67 25.313 25.960 23.081 1.00 0.00 H new ATOM 0 HD11 LEU A 67 24.722 23.611 22.825 1.00 0.00 H new ATOM 0 HD12 LEU A 67 24.552 24.222 24.488 1.00 0.00 H new ATOM 0 HD13 LEU A 67 23.106 23.967 23.481 1.00 0.00 H new ATOM 0 HD21 LEU A 67 24.402 25.038 20.917 1.00 0.00 H new ATOM 0 HD22 LEU A 67 22.789 25.625 21.385 1.00 0.00 H new ATOM 0 HD23 LEU A 67 24.108 26.784 21.095 1.00 0.00 H new ATOM 1079 N HIS A 68 25.885 26.348 26.076 1.00 0.00 N ATOM 1080 CA HIS A 68 27.235 26.627 26.508 1.00 0.00 C ATOM 1081 C HIS A 68 28.183 25.926 25.543 1.00 0.00 C ATOM 1082 O HIS A 68 27.865 24.826 25.071 1.00 0.00 O ATOM 1083 CB HIS A 68 27.393 26.063 27.928 1.00 0.00 C ATOM 1084 CG HIS A 68 26.371 26.457 28.953 1.00 0.00 C ATOM 1085 ND1 HIS A 68 26.670 27.315 30.006 1.00 0.00 N ATOM 1086 CD2 HIS A 68 25.100 25.962 29.075 1.00 0.00 C ATOM 1087 CE1 HIS A 68 25.511 27.400 30.659 1.00 0.00 C ATOM 1088 NE2 HIS A 68 24.627 26.477 30.267 1.00 0.00 N ATOM 0 H HIS A 68 25.584 25.389 26.249 1.00 0.00 H new ATOM 0 HA HIS A 68 27.454 27.695 26.516 1.00 0.00 H new ATOM 0 HB2 HIS A 68 27.396 24.975 27.858 1.00 0.00 H new ATOM 0 HB3 HIS A 68 28.373 26.361 28.300 1.00 0.00 H new ATOM 0 HD2 HIS A 68 24.580 25.310 28.388 1.00 0.00 H new ATOM 0 HE1 HIS A 68 25.308 28.136 31.423 1.00 0.00 H new ATOM 0 HE2 HIS A 68 23.772 26.206 30.752 1.00 0.00 H new ATOM 1096 N LEU A 69 29.398 26.430 25.358 1.00 0.00 N ATOM 1097 CA LEU A 69 30.339 25.739 24.493 1.00 0.00 C ATOM 1098 C LEU A 69 31.745 25.947 25.077 1.00 0.00 C ATOM 1099 O LEU A 69 32.134 26.938 25.683 1.00 0.00 O ATOM 1100 CB LEU A 69 30.163 26.134 23.024 1.00 0.00 C ATOM 1101 CG LEU A 69 30.555 27.570 22.685 1.00 0.00 C ATOM 1102 CD1 LEU A 69 32.037 27.866 22.451 1.00 0.00 C ATOM 1103 CD2 LEU A 69 29.740 27.935 21.436 1.00 0.00 C ATOM 0 H LEU A 69 29.745 27.290 25.783 1.00 0.00 H new ATOM 0 HA LEU A 69 30.151 24.666 24.473 1.00 0.00 H new ATOM 0 HB2 LEU A 69 30.757 25.458 22.409 1.00 0.00 H new ATOM 0 HB3 LEU A 69 29.120 25.984 22.747 1.00 0.00 H new ATOM 0 HG LEU A 69 30.340 28.173 23.567 1.00 0.00 H new ATOM 0 HD11 LEU A 69 32.165 28.924 22.220 1.00 0.00 H new ATOM 0 HD12 LEU A 69 32.603 27.620 23.349 1.00 0.00 H new ATOM 0 HD13 LEU A 69 32.401 27.266 21.617 1.00 0.00 H new ATOM 0 HD21 LEU A 69 29.972 28.957 21.136 1.00 0.00 H new ATOM 0 HD22 LEU A 69 29.992 27.252 20.625 1.00 0.00 H new ATOM 0 HD23 LEU A 69 28.676 27.856 21.660 1.00 0.00 H new ATOM 1115 N VAL A 70 32.660 25.031 24.774 1.00 0.00 N ATOM 1116 CA VAL A 70 34.046 24.894 25.169 1.00 0.00 C ATOM 1117 C VAL A 70 34.810 25.016 23.842 1.00 0.00 C ATOM 1118 O VAL A 70 34.373 24.566 22.791 1.00 0.00 O ATOM 1119 CB VAL A 70 34.351 23.667 26.029 1.00 0.00 C ATOM 1120 CG1 VAL A 70 33.569 23.699 27.344 1.00 0.00 C ATOM 1121 CG2 VAL A 70 34.187 22.300 25.354 1.00 0.00 C ATOM 0 H VAL A 70 32.401 24.261 24.157 1.00 0.00 H new ATOM 0 HA VAL A 70 34.365 25.663 25.872 1.00 0.00 H new ATOM 0 HB VAL A 70 35.421 23.756 26.217 1.00 0.00 H new ATOM 0 HG11 VAL A 70 33.809 22.813 27.932 1.00 0.00 H new ATOM 0 HG12 VAL A 70 33.840 24.592 27.907 1.00 0.00 H new ATOM 0 HG13 VAL A 70 32.500 23.715 27.131 1.00 0.00 H new ATOM 0 HG21 VAL A 70 34.432 21.511 26.065 1.00 0.00 H new ATOM 0 HG22 VAL A 70 33.156 22.180 25.020 1.00 0.00 H new ATOM 0 HG23 VAL A 70 34.856 22.235 24.496 1.00 0.00 H new ATOM 1131 N LEU A 71 35.915 25.760 23.862 1.00 0.00 N ATOM 1132 CA LEU A 71 36.716 25.835 22.657 1.00 0.00 C ATOM 1133 C LEU A 71 38.139 25.311 22.897 1.00 0.00 C ATOM 1134 O LEU A 71 38.713 25.803 23.862 1.00 0.00 O ATOM 1135 CB LEU A 71 36.549 27.094 21.791 1.00 0.00 C ATOM 1136 CG LEU A 71 36.630 28.388 22.595 1.00 0.00 C ATOM 1137 CD1 LEU A 71 37.906 29.137 22.220 1.00 0.00 C ATOM 1138 CD2 LEU A 71 35.447 29.339 22.399 1.00 0.00 C ATOM 0 H LEU A 71 36.258 26.293 24.661 1.00 0.00 H new ATOM 0 HA LEU A 71 36.276 25.129 21.953 1.00 0.00 H new ATOM 0 HB2 LEU A 71 37.320 27.103 21.021 1.00 0.00 H new ATOM 0 HB3 LEU A 71 35.588 27.051 21.279 1.00 0.00 H new ATOM 0 HG LEU A 71 36.618 28.082 23.641 1.00 0.00 H new ATOM 0 HD11 LEU A 71 37.967 30.062 22.793 1.00 0.00 H new ATOM 0 HD12 LEU A 71 38.772 28.514 22.443 1.00 0.00 H new ATOM 0 HD13 LEU A 71 37.892 29.370 21.155 1.00 0.00 H new ATOM 0 HD21 LEU A 71 35.592 30.230 23.009 1.00 0.00 H new ATOM 0 HD22 LEU A 71 35.380 29.625 21.349 1.00 0.00 H new ATOM 0 HD23 LEU A 71 34.525 28.840 22.699 1.00 0.00 H new