USER MOD reduce.3.24.130724 H: found=0, std=0, add=582, rem=0, adj=19 USER MOD reduce.3.24.130724 removed 584 hydrogens (0 hets) USER MOD ----------------------------------------------------------------- USER MOD scores for adjustable sidechains, with "set" totals for H,N and Q USER MOD "o" means original, "f" means flipped, "180deg" is methyl default USER MOD "!" flags a clash with an overlap of 0.40A or greater USER MOD flip categories: "K"=keep, "C"=clashes, "X"=uncertain, "F"=flip USER MOD Single : A 2 GLN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 6 LYS NZ :NH3+ 164:sc= -0.104 (180deg=-0.782) USER MOD Single : A 7 THR OG1 : rot -57:sc= 0.209 USER MOD Single : A 9 THR OG1 : rot 180:sc= 0 USER MOD Single : A 11 LYS NZ :NH3+ -169:sc=-0.00441 (180deg=-0.174) USER MOD Single : A 12 THR OG1 : rot 180:sc= 0 USER MOD Single : A 14 THR OG1 : rot -85:sc= 1.3 USER MOD Single : A 20 SER OG : rot 180:sc= 0 USER MOD Single : A 22 THR OG1 : rot 180:sc= -0.0865 USER MOD Single : A 25 ASN : amide:sc= -2.31 K(o=-2.3,f=-4!) USER MOD Single : A 27 LYS NZ :NH3+ -166:sc= -1.22! (180deg=-2.08!) USER MOD Single : A 29 LYS NZ :NH3+ -162:sc= -0.1 (180deg=-0.787) USER MOD Single : A 31 GLN : amide:sc= -1.39 K(o=-1.4,f=-4) USER MOD Single : A 33 LYS NZ :NH3+ 165:sc= 0 (180deg=-0.282) USER MOD Single : A 40 GLN : amide:sc= 0 K(o=0,f=-1.4!) USER MOD Single : A 41 GLN : amide:sc= -0.123 K(o=-0.12,f=-4.5!) USER MOD Single : A 48 LYS NZ :NH3+ -168:sc= 0 (180deg=-0.161) USER MOD Single : A 49 GLN : amide:sc= 0 X(o=0,f=0) 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 180:sc= -0.21 USER MOD Single : A 60 ASN :FLIP amide:sc= -1.59 F(o=-5.1!,f=-1.6) USER MOD Single : A 62 GLN : amide:sc= 0 K(o=0,f=-0.53) USER MOD Single : A 63 LYS NZ :NH3+ -131:sc= -2.6 (180deg=-5.31!) USER MOD Single : A 66 THR OG1 : rot 3:sc= 0.74 USER MOD Single : A 68 HIS : no HE2:sc= -1.04 K(o=-1,f=-3.4!) USER MOD ----------------------------------------------------------------- ATOM 20 N GLN A 2 28.529 27.943 2.770 1.00 0.00 N ATOM 21 CA GLN A 2 28.657 29.279 3.333 1.00 0.00 C ATOM 22 C GLN A 2 27.737 29.439 4.541 1.00 0.00 C ATOM 23 O GLN A 2 26.530 29.639 4.398 1.00 0.00 O ATOM 24 CB GLN A 2 28.290 30.314 2.274 1.00 0.00 C ATOM 25 CG GLN A 2 28.815 29.862 0.909 1.00 0.00 C ATOM 26 CD GLN A 2 28.623 30.971 -0.119 1.00 0.00 C ATOM 27 OE1 GLN A 2 29.595 31.580 -0.567 1.00 0.00 O ATOM 28 NE2 GLN A 2 27.419 31.274 -0.523 1.00 0.00 N ATOM 0 HA GLN A 2 29.688 29.428 3.654 1.00 0.00 H new ATOM 0 HB2 GLN A 2 27.208 30.441 2.235 1.00 0.00 H new ATOM 0 HB3 GLN A 2 28.715 31.283 2.536 1.00 0.00 H new ATOM 0 HG2 GLN A 2 29.871 29.604 0.984 1.00 0.00 H new ATOM 0 HG3 GLN A 2 28.289 28.963 0.588 1.00 0.00 H new ATOM 0 HE21 GLN A 2 26.614 30.769 -0.152 1.00 0.00 H new ATOM 0 HE22 GLN A 2 27.283 32.016 -1.210 1.00 0.00 H new ATOM 37 N ILE A 3 28.320 29.343 5.728 1.00 0.00 N ATOM 38 CA ILE A 3 27.557 29.468 6.973 1.00 0.00 C ATOM 39 C ILE A 3 27.699 30.871 7.558 1.00 0.00 C ATOM 40 O ILE A 3 28.725 31.530 7.386 1.00 0.00 O ATOM 41 CB ILE A 3 28.042 28.436 7.999 1.00 0.00 C ATOM 42 CG1 ILE A 3 29.506 28.709 8.377 1.00 0.00 C ATOM 43 CG2 ILE A 3 27.933 27.029 7.403 1.00 0.00 C ATOM 44 CD1 ILE A 3 29.930 27.746 9.483 1.00 0.00 C ATOM 0 H ILE A 3 29.318 29.179 5.860 1.00 0.00 H new ATOM 0 HA ILE A 3 26.507 29.286 6.744 1.00 0.00 H new ATOM 0 HB ILE A 3 27.420 28.511 8.891 1.00 0.00 H new ATOM 0 HG12 ILE A 3 30.148 28.585 7.505 1.00 0.00 H new ATOM 0 HG13 ILE A 3 29.621 29.740 8.713 1.00 0.00 H new ATOM 0 HG21 ILE A 3 28.278 26.297 8.133 1.00 0.00 H new ATOM 0 HG22 ILE A 3 26.894 26.823 7.145 1.00 0.00 H new ATOM 0 HG23 ILE A 3 28.549 26.965 6.506 1.00 0.00 H new ATOM 0 HD11 ILE A 3 30.968 27.937 9.754 1.00 0.00 H new ATOM 0 HD12 ILE A 3 29.295 27.893 10.356 1.00 0.00 H new ATOM 0 HD13 ILE A 3 29.830 26.720 9.130 1.00 0.00 H new ATOM 56 N PHE A 4 26.656 31.320 8.247 1.00 0.00 N ATOM 57 CA PHE A 4 26.653 32.650 8.860 1.00 0.00 C ATOM 58 C PHE A 4 27.048 32.563 10.329 1.00 0.00 C ATOM 59 O PHE A 4 26.460 31.787 11.083 1.00 0.00 O ATOM 60 CB PHE A 4 25.254 33.263 8.748 1.00 0.00 C ATOM 61 CG PHE A 4 25.003 33.710 7.327 1.00 0.00 C ATOM 62 CD1 PHE A 4 24.272 32.895 6.456 1.00 0.00 C ATOM 63 CD2 PHE A 4 25.492 34.945 6.886 1.00 0.00 C ATOM 64 CE1 PHE A 4 24.033 33.312 5.142 1.00 0.00 C ATOM 65 CE2 PHE A 4 25.255 35.363 5.571 1.00 0.00 C ATOM 66 CZ PHE A 4 24.522 34.548 4.699 1.00 0.00 C ATOM 0 H PHE A 4 25.800 30.785 8.397 1.00 0.00 H new ATOM 0 HA PHE A 4 27.376 33.276 8.337 1.00 0.00 H new ATOM 0 HB2 PHE A 4 24.502 32.533 9.047 1.00 0.00 H new ATOM 0 HB3 PHE A 4 25.163 34.111 9.427 1.00 0.00 H new ATOM 0 HD1 PHE A 4 23.892 31.944 6.798 1.00 0.00 H new ATOM 0 HD2 PHE A 4 26.052 35.576 7.560 1.00 0.00 H new ATOM 0 HE1 PHE A 4 23.471 32.681 4.469 1.00 0.00 H new ATOM 0 HE2 PHE A 4 25.637 36.313 5.229 1.00 0.00 H new ATOM 0 HZ PHE A 4 24.334 34.872 3.686 1.00 0.00 H new ATOM 76 N VAL A 5 28.028 33.374 10.746 1.00 0.00 N ATOM 77 CA VAL A 5 28.472 33.387 12.142 1.00 0.00 C ATOM 78 C VAL A 5 28.171 34.737 12.779 1.00 0.00 C ATOM 79 O VAL A 5 28.715 35.771 12.387 1.00 0.00 O ATOM 80 CB VAL A 5 29.970 33.091 12.224 1.00 0.00 C ATOM 81 CG1 VAL A 5 30.476 33.360 13.649 1.00 0.00 C ATOM 82 CG2 VAL A 5 30.190 31.615 11.895 1.00 0.00 C ATOM 0 H VAL A 5 28.525 34.026 10.139 1.00 0.00 H new ATOM 0 HA VAL A 5 27.930 32.613 12.686 1.00 0.00 H new ATOM 0 HB VAL A 5 30.509 33.727 11.522 1.00 0.00 H new ATOM 0 HG11 VAL A 5 31.544 33.148 13.702 1.00 0.00 H new ATOM 0 HG12 VAL A 5 30.301 34.405 13.906 1.00 0.00 H new ATOM 0 HG13 VAL A 5 29.943 32.719 14.351 1.00 0.00 H new ATOM 0 HG21 VAL A 5 31.254 31.385 11.949 1.00 0.00 H new ATOM 0 HG22 VAL A 5 29.649 30.998 12.612 1.00 0.00 H new ATOM 0 HG23 VAL A 5 29.824 31.408 10.889 1.00 0.00 H new ATOM 92 N LYS A 6 27.288 34.701 13.753 1.00 0.00 N ATOM 93 CA LYS A 6 26.877 35.908 14.462 1.00 0.00 C ATOM 94 C LYS A 6 27.762 36.144 15.688 1.00 0.00 C ATOM 95 O LYS A 6 27.680 35.413 16.675 1.00 0.00 O ATOM 96 CB LYS A 6 25.419 35.744 14.879 1.00 0.00 C ATOM 97 CG LYS A 6 24.920 36.997 15.589 1.00 0.00 C ATOM 98 CD LYS A 6 23.426 36.824 15.876 1.00 0.00 C ATOM 99 CE LYS A 6 22.887 38.041 16.628 1.00 0.00 C ATOM 100 NZ LYS A 6 23.231 39.279 15.877 1.00 0.00 N ATOM 0 H LYS A 6 26.835 33.847 14.078 1.00 0.00 H new ATOM 0 HA LYS A 6 26.983 36.774 13.809 1.00 0.00 H new ATOM 0 HB2 LYS A 6 24.804 35.548 14.001 1.00 0.00 H new ATOM 0 HB3 LYS A 6 25.318 34.882 15.538 1.00 0.00 H new ATOM 0 HG2 LYS A 6 25.470 37.152 16.517 1.00 0.00 H new ATOM 0 HG3 LYS A 6 25.088 37.877 14.969 1.00 0.00 H new ATOM 0 HD2 LYS A 6 22.881 36.695 14.941 1.00 0.00 H new ATOM 0 HD3 LYS A 6 23.264 35.922 16.466 1.00 0.00 H new ATOM 0 HE2 LYS A 6 21.806 37.961 16.744 1.00 0.00 H new ATOM 0 HE3 LYS A 6 23.313 38.081 17.631 1.00 0.00 H new ATOM 0 HZ1 LYS A 6 22.650 40.068 16.224 1.00 0.00 H new ATOM 0 HZ2 LYS A 6 24.237 39.502 16.017 1.00 0.00 H new ATOM 0 HZ3 LYS A 6 23.047 39.133 14.864 1.00 0.00 H new ATOM 114 N THR A 7 28.615 37.164 15.612 1.00 0.00 N ATOM 115 CA THR A 7 29.516 37.482 16.723 1.00 0.00 C ATOM 116 C THR A 7 28.728 38.105 17.867 1.00 0.00 C ATOM 117 O THR A 7 27.560 38.454 17.694 1.00 0.00 O ATOM 118 CB THR A 7 30.613 38.444 16.264 1.00 0.00 C ATOM 119 OG1 THR A 7 30.029 39.679 15.874 1.00 0.00 O ATOM 120 CG2 THR A 7 31.376 37.834 15.083 1.00 0.00 C ATOM 0 H THR A 7 28.703 37.779 14.803 1.00 0.00 H new ATOM 0 HA THR A 7 29.983 36.559 17.068 1.00 0.00 H new ATOM 0 HB THR A 7 31.308 38.618 17.085 1.00 0.00 H new ATOM 0 HG1 THR A 7 29.366 39.520 15.170 1.00 0.00 H new ATOM 0 HG21 THR A 7 32.156 38.523 14.759 1.00 0.00 H new ATOM 0 HG22 THR A 7 31.829 36.891 15.390 1.00 0.00 H new ATOM 0 HG23 THR A 7 30.686 37.654 14.258 1.00 0.00 H new ATOM 128 N LEU A 8 29.351 38.249 19.038 1.00 0.00 N ATOM 129 CA LEU A 8 28.662 38.831 20.182 1.00 0.00 C ATOM 130 C LEU A 8 28.567 40.348 20.053 1.00 0.00 C ATOM 131 O LEU A 8 27.615 40.959 20.539 1.00 0.00 O ATOM 132 CB LEU A 8 29.412 38.481 21.476 1.00 0.00 C ATOM 133 CG LEU A 8 28.517 38.769 22.701 1.00 0.00 C ATOM 134 CD1 LEU A 8 27.616 37.562 22.991 1.00 0.00 C ATOM 135 CD2 LEU A 8 29.390 39.046 23.933 1.00 0.00 C ATOM 0 H LEU A 8 30.317 37.974 19.214 1.00 0.00 H new ATOM 0 HA LEU A 8 27.653 38.419 20.213 1.00 0.00 H new ATOM 0 HB2 LEU A 8 29.701 37.430 21.466 1.00 0.00 H new ATOM 0 HB3 LEU A 8 30.331 39.063 21.542 1.00 0.00 H new ATOM 0 HG LEU A 8 27.900 39.641 22.483 1.00 0.00 H new ATOM 0 HD11 LEU A 8 26.989 37.776 23.857 1.00 0.00 H new ATOM 0 HD12 LEU A 8 26.984 37.363 22.125 1.00 0.00 H new ATOM 0 HD13 LEU A 8 28.234 36.688 23.197 1.00 0.00 H new ATOM 0 HD21 LEU A 8 28.752 39.248 24.793 1.00 0.00 H new ATOM 0 HD22 LEU A 8 30.013 38.176 24.140 1.00 0.00 H new ATOM 0 HD23 LEU A 8 30.026 39.911 23.742 1.00 0.00 H new ATOM 147 N THR A 9 29.556 40.956 19.407 1.00 0.00 N ATOM 148 CA THR A 9 29.557 42.405 19.245 1.00 0.00 C ATOM 149 C THR A 9 28.458 42.834 18.278 1.00 0.00 C ATOM 150 O THR A 9 28.269 44.023 18.025 1.00 0.00 O ATOM 151 CB THR A 9 30.916 42.881 18.721 1.00 0.00 C ATOM 152 OG1 THR A 9 31.953 42.252 19.462 1.00 0.00 O ATOM 153 CG2 THR A 9 31.032 44.403 18.871 1.00 0.00 C ATOM 0 H THR A 9 30.356 40.477 18.993 1.00 0.00 H new ATOM 0 HA THR A 9 29.370 42.858 20.219 1.00 0.00 H new ATOM 0 HB THR A 9 31.006 42.619 17.667 1.00 0.00 H new ATOM 0 HG1 THR A 9 32.823 42.554 19.127 1.00 0.00 H new ATOM 0 HG21 THR A 9 32.001 44.733 18.496 1.00 0.00 H new ATOM 0 HG22 THR A 9 30.239 44.886 18.301 1.00 0.00 H new ATOM 0 HG23 THR A 9 30.939 44.673 19.923 1.00 0.00 H new ATOM 161 N GLY A 10 27.729 41.860 17.746 1.00 0.00 N ATOM 162 CA GLY A 10 26.647 42.151 16.813 1.00 0.00 C ATOM 163 C GLY A 10 27.170 42.247 15.387 1.00 0.00 C ATOM 164 O GLY A 10 26.438 42.633 14.475 1.00 0.00 O ATOM 0 H GLY A 10 27.866 40.869 17.943 1.00 0.00 H new ATOM 0 HA2 GLY A 10 25.889 41.370 16.875 1.00 0.00 H new ATOM 0 HA3 GLY A 10 26.164 43.088 17.091 1.00 0.00 H new ATOM 168 N LYS A 11 28.433 41.866 15.188 1.00 0.00 N ATOM 169 CA LYS A 11 29.028 41.883 13.856 1.00 0.00 C ATOM 170 C LYS A 11 28.836 40.524 13.190 1.00 0.00 C ATOM 171 O LYS A 11 29.412 39.524 13.621 1.00 0.00 O ATOM 172 CB LYS A 11 30.523 42.208 13.946 1.00 0.00 C ATOM 173 CG LYS A 11 30.708 43.634 14.467 1.00 0.00 C ATOM 174 CD LYS A 11 32.187 44.024 14.389 1.00 0.00 C ATOM 175 CE LYS A 11 32.409 45.346 15.128 1.00 0.00 C ATOM 176 NZ LYS A 11 31.678 46.439 14.425 1.00 0.00 N ATOM 0 H LYS A 11 29.057 41.545 15.928 1.00 0.00 H new ATOM 0 HA LYS A 11 28.536 42.652 13.260 1.00 0.00 H new ATOM 0 HB2 LYS A 11 31.020 41.500 14.610 1.00 0.00 H new ATOM 0 HB3 LYS A 11 30.987 42.105 12.965 1.00 0.00 H new ATOM 0 HG2 LYS A 11 30.108 44.327 13.878 1.00 0.00 H new ATOM 0 HG3 LYS A 11 30.357 43.704 15.497 1.00 0.00 H new ATOM 0 HD2 LYS A 11 32.804 43.241 14.830 1.00 0.00 H new ATOM 0 HD3 LYS A 11 32.493 44.122 13.348 1.00 0.00 H new ATOM 0 HE2 LYS A 11 32.058 45.263 16.157 1.00 0.00 H new ATOM 0 HE3 LYS A 11 33.474 45.576 15.172 1.00 0.00 H new ATOM 0 HZ1 LYS A 11 31.974 47.358 14.810 1.00 0.00 H new ATOM 0 HZ2 LYS A 11 31.894 46.403 13.408 1.00 0.00 H new ATOM 0 HZ3 LYS A 11 30.655 46.319 14.566 1.00 0.00 H new ATOM 190 N THR A 12 28.021 40.486 12.145 1.00 0.00 N ATOM 191 CA THR A 12 27.760 39.237 11.434 1.00 0.00 C ATOM 192 C THR A 12 28.696 39.104 10.238 1.00 0.00 C ATOM 193 O THR A 12 28.780 40.007 9.406 1.00 0.00 O ATOM 194 CB THR A 12 26.311 39.216 10.947 1.00 0.00 C ATOM 195 OG1 THR A 12 25.439 39.243 12.067 1.00 0.00 O ATOM 196 CG2 THR A 12 26.059 37.944 10.128 1.00 0.00 C ATOM 0 H THR A 12 27.531 41.298 11.771 1.00 0.00 H new ATOM 0 HA THR A 12 27.932 38.404 12.115 1.00 0.00 H new ATOM 0 HB THR A 12 26.126 40.088 10.319 1.00 0.00 H new ATOM 0 HG1 THR A 12 24.509 39.231 11.758 1.00 0.00 H new ATOM 0 HG21 THR A 12 25.025 37.932 9.783 1.00 0.00 H new ATOM 0 HG22 THR A 12 26.729 37.926 9.268 1.00 0.00 H new ATOM 0 HG23 THR A 12 26.243 37.068 10.750 1.00 0.00 H new ATOM 204 N ILE A 13 29.388 37.969 10.147 1.00 0.00 N ATOM 205 CA ILE A 13 30.310 37.723 9.035 1.00 0.00 C ATOM 206 C ILE A 13 30.134 36.305 8.514 1.00 0.00 C ATOM 207 O ILE A 13 29.990 35.359 9.288 1.00 0.00 O ATOM 208 CB ILE A 13 31.756 37.924 9.494 1.00 0.00 C ATOM 209 CG1 ILE A 13 31.968 37.214 10.834 1.00 0.00 C ATOM 210 CG2 ILE A 13 32.037 39.422 9.647 1.00 0.00 C ATOM 211 CD1 ILE A 13 33.409 37.417 11.299 1.00 0.00 C ATOM 0 H ILE A 13 29.330 37.209 10.824 1.00 0.00 H new ATOM 0 HA ILE A 13 30.087 38.430 8.236 1.00 0.00 H new ATOM 0 HB ILE A 13 32.438 37.505 8.755 1.00 0.00 H new ATOM 0 HG12 ILE A 13 31.276 37.607 11.579 1.00 0.00 H new ATOM 0 HG13 ILE A 13 31.755 36.150 10.731 1.00 0.00 H new ATOM 0 HG21 ILE A 13 33.067 39.568 9.974 1.00 0.00 H new ATOM 0 HG22 ILE A 13 31.887 39.920 8.689 1.00 0.00 H new ATOM 0 HG23 ILE A 13 31.358 39.846 10.387 1.00 0.00 H new ATOM 0 HD11 ILE A 13 33.558 36.911 12.253 1.00 0.00 H new ATOM 0 HD12 ILE A 13 34.092 37.003 10.558 1.00 0.00 H new ATOM 0 HD13 ILE A 13 33.606 38.482 11.419 1.00 0.00 H new ATOM 223 N THR A 14 30.112 36.171 7.191 1.00 0.00 N ATOM 224 CA THR A 14 29.914 34.866 6.568 1.00 0.00 C ATOM 225 C THR A 14 31.218 34.077 6.516 1.00 0.00 C ATOM 226 O THR A 14 32.303 34.637 6.350 1.00 0.00 O ATOM 227 CB THR A 14 29.350 35.049 5.156 1.00 0.00 C ATOM 228 OG1 THR A 14 28.235 35.929 5.212 1.00 0.00 O ATOM 229 CG2 THR A 14 28.897 33.693 4.597 1.00 0.00 C ATOM 0 H THR A 14 30.228 36.943 6.534 1.00 0.00 H new ATOM 0 HA THR A 14 29.204 34.300 7.171 1.00 0.00 H new ATOM 0 HB THR A 14 30.121 35.465 4.508 1.00 0.00 H new ATOM 0 HG1 THR A 14 27.427 35.420 5.431 1.00 0.00 H new ATOM 0 HG21 THR A 14 28.497 33.829 3.592 1.00 0.00 H new ATOM 0 HG22 THR A 14 29.748 33.012 4.560 1.00 0.00 H new ATOM 0 HG23 THR A 14 28.125 33.273 5.242 1.00 0.00 H new ATOM 237 N LEU A 15 31.084 32.763 6.682 1.00 0.00 N ATOM 238 CA LEU A 15 32.223 31.845 6.684 1.00 0.00 C ATOM 239 C LEU A 15 32.078 30.803 5.571 1.00 0.00 C ATOM 240 O LEU A 15 31.041 30.151 5.448 1.00 0.00 O ATOM 241 CB LEU A 15 32.278 31.136 8.064 1.00 0.00 C ATOM 242 CG LEU A 15 33.687 31.209 8.676 1.00 0.00 C ATOM 243 CD1 LEU A 15 33.926 32.608 9.257 1.00 0.00 C ATOM 244 CD2 LEU A 15 33.806 30.165 9.796 1.00 0.00 C ATOM 0 H LEU A 15 30.184 32.304 6.819 1.00 0.00 H new ATOM 0 HA LEU A 15 33.142 32.404 6.508 1.00 0.00 H new ATOM 0 HB2 LEU A 15 31.561 31.599 8.742 1.00 0.00 H new ATOM 0 HB3 LEU A 15 31.982 30.093 7.951 1.00 0.00 H new ATOM 0 HG LEU A 15 34.429 31.008 7.904 1.00 0.00 H new ATOM 0 HD11 LEU A 15 34.925 32.656 9.690 1.00 0.00 H new ATOM 0 HD12 LEU A 15 33.837 33.351 8.464 1.00 0.00 H new ATOM 0 HD13 LEU A 15 33.185 32.812 10.030 1.00 0.00 H new ATOM 0 HD21 LEU A 15 34.803 30.213 10.233 1.00 0.00 H new ATOM 0 HD22 LEU A 15 33.062 30.371 10.566 1.00 0.00 H new ATOM 0 HD23 LEU A 15 33.637 29.170 9.385 1.00 0.00 H new ATOM 256 N GLU A 16 33.136 30.629 4.792 1.00 0.00 N ATOM 257 CA GLU A 16 33.132 29.631 3.719 1.00 0.00 C ATOM 258 C GLU A 16 33.876 28.389 4.198 1.00 0.00 C ATOM 259 O GLU A 16 35.026 28.480 4.626 1.00 0.00 O ATOM 260 CB GLU A 16 33.815 30.187 2.464 1.00 0.00 C ATOM 261 CG GLU A 16 32.993 31.350 1.905 1.00 0.00 C ATOM 262 CD GLU A 16 33.662 31.902 0.650 1.00 0.00 C ATOM 263 OE1 GLU A 16 34.626 31.302 0.204 1.00 0.00 O ATOM 264 OE2 GLU A 16 33.199 32.915 0.153 1.00 0.00 O ATOM 0 H GLU A 16 34.004 31.158 4.877 1.00 0.00 H new ATOM 0 HA GLU A 16 32.102 29.379 3.468 1.00 0.00 H new ATOM 0 HB2 GLU A 16 34.823 30.524 2.705 1.00 0.00 H new ATOM 0 HB3 GLU A 16 33.912 29.403 1.713 1.00 0.00 H new ATOM 0 HG2 GLU A 16 31.983 31.014 1.671 1.00 0.00 H new ATOM 0 HG3 GLU A 16 32.902 32.136 2.655 1.00 0.00 H new ATOM 271 N VAL A 17 33.223 27.232 4.125 1.00 0.00 N ATOM 272 CA VAL A 17 33.855 25.982 4.562 1.00 0.00 C ATOM 273 C VAL A 17 33.255 24.786 3.834 1.00 0.00 C ATOM 274 O VAL A 17 32.302 24.913 3.072 1.00 0.00 O ATOM 275 CB VAL A 17 33.699 25.811 6.085 1.00 0.00 C ATOM 276 CG1 VAL A 17 32.217 25.729 6.473 1.00 0.00 C ATOM 277 CG2 VAL A 17 34.416 24.544 6.585 1.00 0.00 C ATOM 0 H VAL A 17 32.271 27.130 3.774 1.00 0.00 H new ATOM 0 HA VAL A 17 34.916 26.033 4.318 1.00 0.00 H new ATOM 0 HB VAL A 17 34.154 26.684 6.553 1.00 0.00 H new ATOM 0 HG11 VAL A 17 32.130 25.608 7.553 1.00 0.00 H new ATOM 0 HG12 VAL A 17 31.710 26.644 6.168 1.00 0.00 H new ATOM 0 HG13 VAL A 17 31.757 24.876 5.974 1.00 0.00 H new ATOM 0 HG21 VAL A 17 34.286 24.454 7.663 1.00 0.00 H new ATOM 0 HG22 VAL A 17 33.992 23.668 6.094 1.00 0.00 H new ATOM 0 HG23 VAL A 17 35.479 24.611 6.352 1.00 0.00 H new ATOM 287 N GLU A 18 33.827 23.636 4.104 1.00 0.00 N ATOM 288 CA GLU A 18 33.369 22.368 3.518 1.00 0.00 C ATOM 289 C GLU A 18 32.400 21.680 4.486 1.00 0.00 C ATOM 290 O GLU A 18 32.509 21.861 5.697 1.00 0.00 O ATOM 291 CB GLU A 18 34.569 21.455 3.239 1.00 0.00 C ATOM 292 CG GLU A 18 35.376 22.015 2.064 1.00 0.00 C ATOM 293 CD GLU A 18 36.615 21.156 1.829 1.00 0.00 C ATOM 294 OE1 GLU A 18 36.458 19.959 1.659 1.00 0.00 O ATOM 295 OE2 GLU A 18 37.702 21.710 1.822 1.00 0.00 O ATOM 0 H GLU A 18 34.623 23.538 4.734 1.00 0.00 H new ATOM 0 HA GLU A 18 32.857 22.570 2.577 1.00 0.00 H new ATOM 0 HB2 GLU A 18 35.199 21.384 4.126 1.00 0.00 H new ATOM 0 HB3 GLU A 18 34.226 20.446 3.010 1.00 0.00 H new ATOM 0 HG2 GLU A 18 34.760 22.034 1.165 1.00 0.00 H new ATOM 0 HG3 GLU A 18 35.670 23.044 2.271 1.00 0.00 H new ATOM 302 N PRO A 19 31.460 20.901 4.009 1.00 0.00 N ATOM 303 CA PRO A 19 30.488 20.212 4.912 1.00 0.00 C ATOM 304 C PRO A 19 31.142 19.081 5.707 1.00 0.00 C ATOM 305 O PRO A 19 30.668 18.713 6.782 1.00 0.00 O ATOM 306 CB PRO A 19 29.410 19.687 3.953 1.00 0.00 C ATOM 307 CG PRO A 19 30.115 19.505 2.643 1.00 0.00 C ATOM 308 CD PRO A 19 31.208 20.582 2.588 1.00 0.00 C ATOM 0 HA PRO A 19 30.084 20.879 5.674 1.00 0.00 H new ATOM 0 HB2 PRO A 19 28.989 18.747 4.309 1.00 0.00 H new ATOM 0 HB3 PRO A 19 28.584 20.393 3.863 1.00 0.00 H new ATOM 0 HG2 PRO A 19 30.548 18.507 2.570 1.00 0.00 H new ATOM 0 HG3 PRO A 19 29.421 19.613 1.810 1.00 0.00 H new ATOM 0 HD2 PRO A 19 32.108 20.214 2.095 1.00 0.00 H new ATOM 0 HD3 PRO A 19 30.877 21.460 2.033 1.00 0.00 H new ATOM 316 N SER A 20 32.232 18.538 5.174 1.00 0.00 N ATOM 317 CA SER A 20 32.943 17.451 5.843 1.00 0.00 C ATOM 318 C SER A 20 34.016 18.011 6.773 1.00 0.00 C ATOM 319 O SER A 20 34.775 17.258 7.385 1.00 0.00 O ATOM 320 CB SER A 20 33.599 16.542 4.804 1.00 0.00 C ATOM 321 OG SER A 20 32.611 16.085 3.890 1.00 0.00 O ATOM 0 H SER A 20 32.641 18.830 4.286 1.00 0.00 H new ATOM 0 HA SER A 20 32.226 16.877 6.430 1.00 0.00 H new ATOM 0 HB2 SER A 20 34.381 17.084 4.272 1.00 0.00 H new ATOM 0 HB3 SER A 20 34.077 15.694 5.295 1.00 0.00 H new ATOM 0 HG SER A 20 33.028 15.503 3.221 1.00 0.00 H new ATOM 327 N ASP A 21 34.056 19.335 6.895 1.00 0.00 N ATOM 328 CA ASP A 21 35.017 19.986 7.771 1.00 0.00 C ATOM 329 C ASP A 21 34.666 19.724 9.231 1.00 0.00 C ATOM 330 O ASP A 21 33.493 19.571 9.580 1.00 0.00 O ATOM 331 CB ASP A 21 35.027 21.492 7.505 1.00 0.00 C ATOM 332 CG ASP A 21 36.331 22.111 7.995 1.00 0.00 C ATOM 333 OD1 ASP A 21 37.072 21.421 8.674 1.00 0.00 O ATOM 334 OD2 ASP A 21 36.567 23.267 7.689 1.00 0.00 O ATOM 0 H ASP A 21 33.435 19.974 6.399 1.00 0.00 H new ATOM 0 HA ASP A 21 36.007 19.577 7.568 1.00 0.00 H new ATOM 0 HB2 ASP A 21 34.907 21.680 6.438 1.00 0.00 H new ATOM 0 HB3 ASP A 21 34.182 21.962 8.009 1.00 0.00 H new ATOM 339 N THR A 22 35.684 19.694 10.077 1.00 0.00 N ATOM 340 CA THR A 22 35.478 19.470 11.503 1.00 0.00 C ATOM 341 C THR A 22 35.125 20.776 12.210 1.00 0.00 C ATOM 342 O THR A 22 35.270 21.868 11.649 1.00 0.00 O ATOM 343 CB THR A 22 36.735 18.865 12.134 1.00 0.00 C ATOM 344 OG1 THR A 22 37.804 19.795 12.045 1.00 0.00 O ATOM 345 CG2 THR A 22 37.106 17.578 11.395 1.00 0.00 C ATOM 0 H THR A 22 36.659 19.821 9.804 1.00 0.00 H new ATOM 0 HA THR A 22 34.648 18.773 11.620 1.00 0.00 H new ATOM 0 HB THR A 22 36.544 18.636 13.182 1.00 0.00 H new ATOM 0 HG1 THR A 22 38.608 19.409 12.450 1.00 0.00 H new ATOM 0 HG21 THR A 22 38.001 17.146 11.843 1.00 0.00 H new ATOM 0 HG22 THR A 22 36.284 16.866 11.468 1.00 0.00 H new ATOM 0 HG23 THR A 22 37.298 17.803 10.346 1.00 0.00 H new ATOM 353 N ILE A 23 34.687 20.665 13.453 1.00 0.00 N ATOM 354 CA ILE A 23 34.347 21.858 14.219 1.00 0.00 C ATOM 355 C ILE A 23 35.621 22.615 14.579 1.00 0.00 C ATOM 356 O ILE A 23 35.732 23.814 14.326 1.00 0.00 O ATOM 357 CB ILE A 23 33.572 21.479 15.485 1.00 0.00 C ATOM 358 CG1 ILE A 23 32.511 20.426 15.145 1.00 0.00 C ATOM 359 CG2 ILE A 23 32.882 22.716 16.063 1.00 0.00 C ATOM 360 CD1 ILE A 23 31.726 20.845 13.893 1.00 0.00 C ATOM 0 H ILE A 23 34.559 19.782 13.947 1.00 0.00 H new ATOM 0 HA ILE A 23 33.711 22.502 13.612 1.00 0.00 H new ATOM 0 HB ILE A 23 34.270 21.075 16.219 1.00 0.00 H new ATOM 0 HG12 ILE A 23 32.988 19.460 14.977 1.00 0.00 H new ATOM 0 HG13 ILE A 23 31.829 20.303 15.986 1.00 0.00 H new ATOM 0 HG21 ILE A 23 32.333 22.439 16.963 1.00 0.00 H new ATOM 0 HG22 ILE A 23 33.631 23.468 16.312 1.00 0.00 H new ATOM 0 HG23 ILE A 23 32.190 23.124 15.327 1.00 0.00 H new ATOM 0 HD11 ILE A 23 30.976 20.088 13.663 1.00 0.00 H new ATOM 0 HD12 ILE A 23 31.233 21.800 14.075 1.00 0.00 H new ATOM 0 HD13 ILE A 23 32.411 20.945 13.051 1.00 0.00 H new ATOM 372 N GLU A 24 36.592 21.904 15.148 1.00 0.00 N ATOM 373 CA GLU A 24 37.863 22.526 15.514 1.00 0.00 C ATOM 374 C GLU A 24 38.383 23.357 14.344 1.00 0.00 C ATOM 375 O GLU A 24 39.167 24.292 14.516 1.00 0.00 O ATOM 376 CB GLU A 24 38.892 21.454 15.878 1.00 0.00 C ATOM 377 CG GLU A 24 38.300 20.508 16.922 1.00 0.00 C ATOM 378 CD GLU A 24 38.016 21.267 18.215 1.00 0.00 C ATOM 379 OE1 GLU A 24 36.930 21.812 18.334 1.00 0.00 O ATOM 380 OE2 GLU A 24 38.887 21.290 19.069 1.00 0.00 O ATOM 0 H GLU A 24 36.526 20.909 15.364 1.00 0.00 H new ATOM 0 HA GLU A 24 37.704 23.171 16.378 1.00 0.00 H new ATOM 0 HB2 GLU A 24 39.180 20.895 14.988 1.00 0.00 H new ATOM 0 HB3 GLU A 24 39.797 21.921 16.267 1.00 0.00 H new ATOM 0 HG2 GLU A 24 37.380 20.064 16.542 1.00 0.00 H new ATOM 0 HG3 GLU A 24 38.992 19.689 17.116 1.00 0.00 H new ATOM 387 N ASN A 25 37.911 23.020 13.152 1.00 0.00 N ATOM 388 CA ASN A 25 38.310 23.757 11.958 1.00 0.00 C ATOM 389 C ASN A 25 37.585 25.095 11.930 1.00 0.00 C ATOM 390 O ASN A 25 38.209 26.155 12.007 1.00 0.00 O ATOM 391 CB ASN A 25 37.982 22.962 10.691 1.00 0.00 C ATOM 392 CG ASN A 25 38.767 23.523 9.508 1.00 0.00 C ATOM 393 OD1 ASN A 25 38.796 24.737 9.299 1.00 0.00 O ATOM 394 ND2 ASN A 25 39.411 22.708 8.720 1.00 0.00 N ATOM 0 H ASN A 25 37.260 22.252 12.985 1.00 0.00 H new ATOM 0 HA ASN A 25 39.387 23.919 11.989 1.00 0.00 H new ATOM 0 HB2 ASN A 25 38.229 21.910 10.837 1.00 0.00 H new ATOM 0 HB3 ASN A 25 36.913 23.013 10.486 1.00 0.00 H new ATOM 0 HD21 ASN A 25 39.940 23.075 7.929 1.00 0.00 H new ATOM 0 HD22 ASN A 25 39.386 21.703 8.895 1.00 0.00 H new ATOM 401 N VAL A 26 36.260 25.043 11.820 1.00 0.00 N ATOM 402 CA VAL A 26 35.459 26.265 11.790 1.00 0.00 C ATOM 403 C VAL A 26 35.934 27.232 12.862 1.00 0.00 C ATOM 404 O VAL A 26 35.804 28.452 12.731 1.00 0.00 O ATOM 405 CB VAL A 26 33.991 25.921 12.024 1.00 0.00 C ATOM 406 CG1 VAL A 26 33.162 27.204 12.089 1.00 0.00 C ATOM 407 CG2 VAL A 26 33.505 25.059 10.874 1.00 0.00 C ATOM 0 H VAL A 26 35.723 24.179 11.751 1.00 0.00 H new ATOM 0 HA VAL A 26 35.572 26.737 10.814 1.00 0.00 H new ATOM 0 HB VAL A 26 33.883 25.383 12.966 1.00 0.00 H new ATOM 0 HG11 VAL A 26 32.115 26.952 12.256 1.00 0.00 H new ATOM 0 HG12 VAL A 26 33.521 27.828 12.908 1.00 0.00 H new ATOM 0 HG13 VAL A 26 33.259 27.748 11.149 1.00 0.00 H new ATOM 0 HG21 VAL A 26 32.456 24.805 11.028 1.00 0.00 H new ATOM 0 HG22 VAL A 26 33.612 25.607 9.938 1.00 0.00 H new ATOM 0 HG23 VAL A 26 34.097 24.145 10.829 1.00 0.00 H new ATOM 417 N LYS A 27 36.512 26.669 13.911 1.00 0.00 N ATOM 418 CA LYS A 27 37.036 27.473 15.005 1.00 0.00 C ATOM 419 C LYS A 27 38.295 28.184 14.546 1.00 0.00 C ATOM 420 O LYS A 27 38.456 29.386 14.753 1.00 0.00 O ATOM 421 CB LYS A 27 37.356 26.580 16.208 1.00 0.00 C ATOM 422 CG LYS A 27 36.058 25.998 16.790 1.00 0.00 C ATOM 423 CD LYS A 27 36.281 25.581 18.245 1.00 0.00 C ATOM 424 CE LYS A 27 35.041 24.846 18.759 1.00 0.00 C ATOM 425 NZ LYS A 27 35.000 23.475 18.176 1.00 0.00 N ATOM 0 H LYS A 27 36.630 25.663 14.029 1.00 0.00 H new ATOM 0 HA LYS A 27 36.288 28.208 15.302 1.00 0.00 H new ATOM 0 HB2 LYS A 27 38.023 25.773 15.905 1.00 0.00 H new ATOM 0 HB3 LYS A 27 37.880 27.157 16.970 1.00 0.00 H new ATOM 0 HG2 LYS A 27 35.260 26.738 16.733 1.00 0.00 H new ATOM 0 HG3 LYS A 27 35.738 25.138 16.201 1.00 0.00 H new ATOM 0 HD2 LYS A 27 37.157 24.936 18.320 1.00 0.00 H new ATOM 0 HD3 LYS A 27 36.478 26.459 18.860 1.00 0.00 H new ATOM 0 HE2 LYS A 27 35.063 24.790 19.847 1.00 0.00 H new ATOM 0 HE3 LYS A 27 34.140 25.396 18.487 1.00 0.00 H new ATOM 0 HZ1 LYS A 27 34.057 23.062 18.326 1.00 0.00 H new ATOM 0 HZ2 LYS A 27 35.198 23.525 17.156 1.00 0.00 H new ATOM 0 HZ3 LYS A 27 35.716 22.880 18.638 1.00 0.00 H new ATOM 439 N ALA A 28 39.179 27.426 13.918 1.00 0.00 N ATOM 440 CA ALA A 28 40.427 27.979 13.419 1.00 0.00 C ATOM 441 C ALA A 28 40.159 29.201 12.542 1.00 0.00 C ATOM 442 O ALA A 28 40.938 30.154 12.539 1.00 0.00 O ATOM 443 CB ALA A 28 41.156 26.911 12.609 1.00 0.00 C ATOM 0 H ALA A 28 39.056 26.429 13.742 1.00 0.00 H new ATOM 0 HA ALA A 28 41.043 28.290 14.263 1.00 0.00 H new ATOM 0 HB1 ALA A 28 42.094 27.318 12.231 1.00 0.00 H new ATOM 0 HB2 ALA A 28 41.364 26.051 13.245 1.00 0.00 H new ATOM 0 HB3 ALA A 28 40.532 26.600 11.771 1.00 0.00 H new ATOM 449 N LYS A 29 39.041 29.174 11.820 1.00 0.00 N ATOM 450 CA LYS A 29 38.676 30.302 10.969 1.00 0.00 C ATOM 451 C LYS A 29 38.325 31.510 11.838 1.00 0.00 C ATOM 452 O LYS A 29 38.992 32.544 11.780 1.00 0.00 O ATOM 453 CB LYS A 29 37.494 29.926 10.067 1.00 0.00 C ATOM 454 CG LYS A 29 38.011 29.180 8.828 1.00 0.00 C ATOM 455 CD LYS A 29 36.886 28.350 8.222 1.00 0.00 C ATOM 456 CE LYS A 29 37.402 27.620 6.979 1.00 0.00 C ATOM 457 NZ LYS A 29 37.913 28.616 5.995 1.00 0.00 N ATOM 0 H LYS A 29 38.382 28.396 11.807 1.00 0.00 H new ATOM 0 HA LYS A 29 39.523 30.559 10.333 1.00 0.00 H new ATOM 0 HB2 LYS A 29 36.790 29.299 10.615 1.00 0.00 H new ATOM 0 HB3 LYS A 29 36.954 30.823 9.765 1.00 0.00 H new ATOM 0 HG2 LYS A 29 38.387 29.892 8.093 1.00 0.00 H new ATOM 0 HG3 LYS A 29 38.845 28.534 9.102 1.00 0.00 H new ATOM 0 HD2 LYS A 29 36.517 27.630 8.952 1.00 0.00 H new ATOM 0 HD3 LYS A 29 36.047 28.994 7.957 1.00 0.00 H new ATOM 0 HE2 LYS A 29 38.195 26.925 7.255 1.00 0.00 H new ATOM 0 HE3 LYS A 29 36.602 27.029 6.533 1.00 0.00 H new ATOM 0 HZ1 LYS A 29 37.977 28.175 5.056 1.00 0.00 H new ATOM 0 HZ2 LYS A 29 37.264 29.427 5.953 1.00 0.00 H new ATOM 0 HZ3 LYS A 29 38.856 28.942 6.289 1.00 0.00 H new ATOM 471 N ILE A 30 37.264 31.378 12.629 1.00 0.00 N ATOM 472 CA ILE A 30 36.819 32.456 13.492 1.00 0.00 C ATOM 473 C ILE A 30 37.981 33.005 14.328 1.00 0.00 C ATOM 474 O ILE A 30 38.059 34.207 14.575 1.00 0.00 O ATOM 475 CB ILE A 30 35.703 31.926 14.401 1.00 0.00 C ATOM 476 CG1 ILE A 30 34.420 31.745 13.582 1.00 0.00 C ATOM 477 CG2 ILE A 30 35.437 32.914 15.535 1.00 0.00 C ATOM 478 CD1 ILE A 30 33.432 30.882 14.368 1.00 0.00 C ATOM 0 H ILE A 30 36.698 30.531 12.687 1.00 0.00 H new ATOM 0 HA ILE A 30 36.441 33.276 12.882 1.00 0.00 H new ATOM 0 HB ILE A 30 36.013 30.969 14.822 1.00 0.00 H new ATOM 0 HG12 ILE A 30 33.976 32.716 13.362 1.00 0.00 H new ATOM 0 HG13 ILE A 30 34.649 31.275 12.626 1.00 0.00 H new ATOM 0 HG21 ILE A 30 34.643 32.529 16.175 1.00 0.00 H new ATOM 0 HG22 ILE A 30 36.345 33.046 16.123 1.00 0.00 H new ATOM 0 HG23 ILE A 30 35.133 33.874 15.117 1.00 0.00 H new ATOM 0 HD11 ILE A 30 32.519 30.753 13.786 1.00 0.00 H new ATOM 0 HD12 ILE A 30 33.878 29.907 14.566 1.00 0.00 H new ATOM 0 HD13 ILE A 30 33.194 31.370 15.313 1.00 0.00 H new ATOM 490 N GLN A 31 38.873 32.122 14.762 1.00 0.00 N ATOM 491 CA GLN A 31 40.013 32.546 15.570 1.00 0.00 C ATOM 492 C GLN A 31 40.852 33.572 14.811 1.00 0.00 C ATOM 493 O GLN A 31 41.041 34.700 15.264 1.00 0.00 O ATOM 494 CB GLN A 31 40.889 31.338 15.924 1.00 0.00 C ATOM 495 CG GLN A 31 41.986 31.759 16.911 1.00 0.00 C ATOM 496 CD GLN A 31 43.011 30.642 17.066 1.00 0.00 C ATOM 497 OE1 GLN A 31 42.655 29.464 17.037 1.00 0.00 O ATOM 498 NE2 GLN A 31 44.269 30.945 17.230 1.00 0.00 N ATOM 0 H GLN A 31 38.832 31.121 14.572 1.00 0.00 H new ATOM 0 HA GLN A 31 39.633 33.000 16.485 1.00 0.00 H new ATOM 0 HB2 GLN A 31 40.277 30.550 16.362 1.00 0.00 H new ATOM 0 HB3 GLN A 31 41.339 30.927 15.020 1.00 0.00 H new ATOM 0 HG2 GLN A 31 42.476 32.666 16.556 1.00 0.00 H new ATOM 0 HG3 GLN A 31 41.544 31.994 17.879 1.00 0.00 H new ATOM 0 HE21 GLN A 31 44.559 31.923 17.253 1.00 0.00 H new ATOM 0 HE22 GLN A 31 44.962 30.204 17.335 1.00 0.00 H new ATOM 507 N ASP A 32 41.366 33.150 13.673 1.00 0.00 N ATOM 508 CA ASP A 32 42.210 34.017 12.860 1.00 0.00 C ATOM 509 C ASP A 32 41.563 35.386 12.633 1.00 0.00 C ATOM 510 O ASP A 32 42.261 36.397 12.556 1.00 0.00 O ATOM 511 CB ASP A 32 42.504 33.349 11.514 1.00 0.00 C ATOM 512 CG ASP A 32 43.636 34.085 10.803 1.00 0.00 C ATOM 513 OD1 ASP A 32 43.355 35.085 10.163 1.00 0.00 O ATOM 514 OD2 ASP A 32 44.766 33.638 10.909 1.00 0.00 O ATOM 0 H ASP A 32 41.218 32.217 13.288 1.00 0.00 H new ATOM 0 HA ASP A 32 43.143 34.175 13.401 1.00 0.00 H new ATOM 0 HB2 ASP A 32 42.778 32.305 11.669 1.00 0.00 H new ATOM 0 HB3 ASP A 32 41.609 33.355 10.892 1.00 0.00 H new ATOM 519 N LYS A 33 40.238 35.419 12.491 1.00 0.00 N ATOM 520 CA LYS A 33 39.538 36.683 12.235 1.00 0.00 C ATOM 521 C LYS A 33 39.292 37.516 13.499 1.00 0.00 C ATOM 522 O LYS A 33 39.436 38.738 13.466 1.00 0.00 O ATOM 523 CB LYS A 33 38.193 36.413 11.567 1.00 0.00 C ATOM 524 CG LYS A 33 38.389 35.588 10.293 1.00 0.00 C ATOM 525 CD LYS A 33 37.022 35.129 9.772 1.00 0.00 C ATOM 526 CE LYS A 33 37.149 34.676 8.316 1.00 0.00 C ATOM 527 NZ LYS A 33 38.186 33.612 8.213 1.00 0.00 N ATOM 0 H LYS A 33 39.633 34.600 12.547 1.00 0.00 H new ATOM 0 HA LYS A 33 40.195 37.259 11.583 1.00 0.00 H new ATOM 0 HB2 LYS A 33 37.537 35.880 12.256 1.00 0.00 H new ATOM 0 HB3 LYS A 33 37.703 37.356 11.326 1.00 0.00 H new ATOM 0 HG2 LYS A 33 38.899 36.183 9.535 1.00 0.00 H new ATOM 0 HG3 LYS A 33 39.021 34.724 10.499 1.00 0.00 H new ATOM 0 HD2 LYS A 33 36.644 34.311 10.386 1.00 0.00 H new ATOM 0 HD3 LYS A 33 36.301 35.943 9.848 1.00 0.00 H new ATOM 0 HE2 LYS A 33 36.191 34.300 7.956 1.00 0.00 H new ATOM 0 HE3 LYS A 33 37.417 35.522 7.683 1.00 0.00 H new ATOM 0 HZ1 LYS A 33 38.099 33.130 7.295 1.00 0.00 H new ATOM 0 HZ2 LYS A 33 39.131 34.039 8.291 1.00 0.00 H new ATOM 0 HZ3 LYS A 33 38.053 32.922 8.980 1.00 0.00 H new ATOM 541 N GLU A 34 38.870 36.876 14.596 1.00 0.00 N ATOM 542 CA GLU A 34 38.554 37.613 15.836 1.00 0.00 C ATOM 543 C GLU A 34 39.583 37.388 16.946 1.00 0.00 C ATOM 544 O GLU A 34 39.428 37.921 18.045 1.00 0.00 O ATOM 545 CB GLU A 34 37.176 37.182 16.348 1.00 0.00 C ATOM 546 CG GLU A 34 36.112 37.473 15.291 1.00 0.00 C ATOM 547 CD GLU A 34 35.866 38.974 15.197 1.00 0.00 C ATOM 548 OE1 GLU A 34 35.973 39.637 16.216 1.00 0.00 O ATOM 549 OE2 GLU A 34 35.573 39.440 14.108 1.00 0.00 O ATOM 0 H GLU A 34 38.739 35.866 14.656 1.00 0.00 H new ATOM 0 HA GLU A 34 38.569 38.673 15.585 1.00 0.00 H new ATOM 0 HB2 GLU A 34 37.183 36.118 16.585 1.00 0.00 H new ATOM 0 HB3 GLU A 34 36.939 37.713 17.270 1.00 0.00 H new ATOM 0 HG2 GLU A 34 36.434 37.088 14.324 1.00 0.00 H new ATOM 0 HG3 GLU A 34 35.185 36.960 15.546 1.00 0.00 H new ATOM 556 N GLY A 35 40.651 36.656 16.665 1.00 0.00 N ATOM 557 CA GLY A 35 41.693 36.440 17.668 1.00 0.00 C ATOM 558 C GLY A 35 41.143 35.855 18.974 1.00 0.00 C ATOM 559 O GLY A 35 41.708 36.090 20.043 1.00 0.00 O ATOM 0 H GLY A 35 40.821 36.206 15.766 1.00 0.00 H new ATOM 0 HA2 GLY A 35 42.448 35.767 17.263 1.00 0.00 H new ATOM 0 HA3 GLY A 35 42.190 37.387 17.879 1.00 0.00 H new ATOM 563 N ILE A 36 40.042 35.105 18.896 1.00 0.00 N ATOM 564 CA ILE A 36 39.437 34.507 20.085 1.00 0.00 C ATOM 565 C ILE A 36 39.913 33.056 20.271 1.00 0.00 C ATOM 566 O ILE A 36 39.533 32.186 19.484 1.00 0.00 O ATOM 567 CB ILE A 36 37.925 34.523 19.924 1.00 0.00 C ATOM 568 CG1 ILE A 36 37.490 35.951 19.611 1.00 0.00 C ATOM 569 CG2 ILE A 36 37.276 34.061 21.225 1.00 0.00 C ATOM 570 CD1 ILE A 36 35.985 35.997 19.396 1.00 0.00 C ATOM 0 H ILE A 36 39.553 34.898 18.025 1.00 0.00 H new ATOM 0 HA ILE A 36 39.735 35.082 20.962 1.00 0.00 H new ATOM 0 HB ILE A 36 37.621 33.856 19.117 1.00 0.00 H new ATOM 0 HG12 ILE A 36 37.770 36.614 20.430 1.00 0.00 H new ATOM 0 HG13 ILE A 36 38.005 36.310 18.720 1.00 0.00 H new ATOM 0 HG21 ILE A 36 36.192 34.071 21.114 1.00 0.00 H new ATOM 0 HG22 ILE A 36 37.608 33.049 21.458 1.00 0.00 H new ATOM 0 HG23 ILE A 36 37.564 34.732 22.034 1.00 0.00 H new ATOM 0 HD11 ILE A 36 35.680 37.020 19.173 1.00 0.00 H new ATOM 0 HD12 ILE A 36 35.717 35.348 18.562 1.00 0.00 H new ATOM 0 HD13 ILE A 36 35.478 35.656 20.299 1.00 0.00 H new ATOM 582 N PRO A 37 40.725 32.761 21.271 1.00 0.00 N ATOM 583 CA PRO A 37 41.220 31.372 21.501 1.00 0.00 C ATOM 584 C PRO A 37 40.082 30.333 21.415 1.00 0.00 C ATOM 585 O PRO A 37 39.082 30.457 22.126 1.00 0.00 O ATOM 586 CB PRO A 37 41.805 31.426 22.915 1.00 0.00 C ATOM 587 CG PRO A 37 42.254 32.840 23.080 1.00 0.00 C ATOM 588 CD PRO A 37 41.265 33.695 22.278 1.00 0.00 C ATOM 0 HA PRO A 37 41.945 31.063 20.748 1.00 0.00 H new ATOM 0 HB2 PRO A 37 41.060 31.156 23.663 1.00 0.00 H new ATOM 0 HB3 PRO A 37 42.636 30.730 23.028 1.00 0.00 H new ATOM 0 HG2 PRO A 37 42.256 33.128 24.131 1.00 0.00 H new ATOM 0 HG3 PRO A 37 43.271 32.972 22.712 1.00 0.00 H new ATOM 0 HD2 PRO A 37 40.476 34.096 22.914 1.00 0.00 H new ATOM 0 HD3 PRO A 37 41.760 34.545 21.809 1.00 0.00 H new ATOM 596 N PRO A 38 40.198 29.326 20.570 1.00 0.00 N ATOM 597 CA PRO A 38 39.144 28.278 20.417 1.00 0.00 C ATOM 598 C PRO A 38 38.598 27.774 21.753 1.00 0.00 C ATOM 599 O PRO A 38 37.394 27.557 21.897 1.00 0.00 O ATOM 600 CB PRO A 38 39.863 27.160 19.663 1.00 0.00 C ATOM 601 CG PRO A 38 40.887 27.862 18.842 1.00 0.00 C ATOM 602 CD PRO A 38 41.331 29.074 19.663 1.00 0.00 C ATOM 0 HA PRO A 38 38.266 28.664 19.899 1.00 0.00 H new ATOM 0 HB2 PRO A 38 40.324 26.450 20.350 1.00 0.00 H new ATOM 0 HB3 PRO A 38 39.172 26.595 19.037 1.00 0.00 H new ATOM 0 HG2 PRO A 38 41.731 27.206 18.627 1.00 0.00 H new ATOM 0 HG3 PRO A 38 40.472 28.172 17.883 1.00 0.00 H new ATOM 0 HD2 PRO A 38 42.247 28.867 20.217 1.00 0.00 H new ATOM 0 HD3 PRO A 38 41.531 29.936 19.026 1.00 0.00 H new ATOM 610 N ASP A 39 39.482 27.585 22.727 1.00 0.00 N ATOM 611 CA ASP A 39 39.064 27.098 24.038 1.00 0.00 C ATOM 612 C ASP A 39 38.048 28.038 24.677 1.00 0.00 C ATOM 613 O ASP A 39 37.165 27.603 25.412 1.00 0.00 O ATOM 614 CB ASP A 39 40.277 26.962 24.961 1.00 0.00 C ATOM 615 CG ASP A 39 39.834 26.462 26.333 1.00 0.00 C ATOM 616 OD1 ASP A 39 39.266 27.248 27.072 1.00 0.00 O ATOM 617 OD2 ASP A 39 40.068 25.300 26.622 1.00 0.00 O ATOM 0 H ASP A 39 40.483 27.759 22.636 1.00 0.00 H new ATOM 0 HA ASP A 39 38.597 26.123 23.897 1.00 0.00 H new ATOM 0 HB2 ASP A 39 40.998 26.269 24.528 1.00 0.00 H new ATOM 0 HB3 ASP A 39 40.779 27.924 25.060 1.00 0.00 H new ATOM 622 N GLN A 40 38.189 29.328 24.405 1.00 0.00 N ATOM 623 CA GLN A 40 37.285 30.323 24.974 1.00 0.00 C ATOM 624 C GLN A 40 36.000 30.439 24.166 1.00 0.00 C ATOM 625 O GLN A 40 35.062 31.113 24.588 1.00 0.00 O ATOM 626 CB GLN A 40 37.971 31.689 25.022 1.00 0.00 C ATOM 627 CG GLN A 40 39.177 31.615 25.960 1.00 0.00 C ATOM 628 CD GLN A 40 39.878 32.969 26.019 1.00 0.00 C ATOM 629 OE1 GLN A 40 39.396 33.945 25.443 1.00 0.00 O ATOM 630 NE2 GLN A 40 40.994 33.087 26.685 1.00 0.00 N ATOM 0 H GLN A 40 38.915 29.710 23.799 1.00 0.00 H new ATOM 0 HA GLN A 40 37.031 29.997 25.983 1.00 0.00 H new ATOM 0 HB2 GLN A 40 38.290 31.984 24.022 1.00 0.00 H new ATOM 0 HB3 GLN A 40 37.271 32.449 25.370 1.00 0.00 H new ATOM 0 HG2 GLN A 40 38.854 31.320 26.958 1.00 0.00 H new ATOM 0 HG3 GLN A 40 39.872 30.851 25.612 1.00 0.00 H new ATOM 0 HE21 GLN A 40 41.392 32.277 27.161 1.00 0.00 H new ATOM 0 HE22 GLN A 40 41.469 33.989 26.729 1.00 0.00 H new ATOM 639 N GLN A 41 35.952 29.800 22.995 1.00 0.00 N ATOM 640 CA GLN A 41 34.768 29.867 22.141 1.00 0.00 C ATOM 641 C GLN A 41 33.799 28.724 22.422 1.00 0.00 C ATOM 642 O GLN A 41 34.199 27.561 22.504 1.00 0.00 O ATOM 643 CB GLN A 41 35.197 29.805 20.671 1.00 0.00 C ATOM 644 CG GLN A 41 36.118 30.984 20.356 1.00 0.00 C ATOM 645 CD GLN A 41 36.355 31.074 18.852 1.00 0.00 C ATOM 646 OE1 GLN A 41 35.410 31.239 18.083 1.00 0.00 O ATOM 647 NE2 GLN A 41 37.571 30.978 18.386 1.00 0.00 N ATOM 0 H GLN A 41 36.714 29.235 22.620 1.00 0.00 H new ATOM 0 HA GLN A 41 34.257 30.806 22.355 1.00 0.00 H new ATOM 0 HB2 GLN A 41 35.711 28.865 20.471 1.00 0.00 H new ATOM 0 HB3 GLN A 41 34.320 29.832 20.024 1.00 0.00 H new ATOM 0 HG2 GLN A 41 35.673 31.911 20.718 1.00 0.00 H new ATOM 0 HG3 GLN A 41 37.068 30.862 20.876 1.00 0.00 H new ATOM 0 HE21 GLN A 41 38.353 30.841 19.026 1.00 0.00 H new ATOM 0 HE22 GLN A 41 37.739 31.040 17.382 1.00 0.00 H new ATOM 656 N ARG A 42 32.516 29.068 22.536 1.00 0.00 N ATOM 657 CA ARG A 42 31.458 28.093 22.770 1.00 0.00 C ATOM 658 C ARG A 42 30.474 28.208 21.614 1.00 0.00 C ATOM 659 O ARG A 42 29.844 29.250 21.435 1.00 0.00 O ATOM 660 CB ARG A 42 30.743 28.406 24.093 1.00 0.00 C ATOM 661 CG ARG A 42 31.681 28.138 25.286 1.00 0.00 C ATOM 662 CD ARG A 42 31.574 26.672 25.723 1.00 0.00 C ATOM 663 NE ARG A 42 30.228 26.392 26.212 1.00 0.00 N ATOM 664 CZ ARG A 42 29.834 26.795 27.415 1.00 0.00 C ATOM 665 NH1 ARG A 42 28.621 26.536 27.826 1.00 0.00 N ATOM 666 NH2 ARG A 42 30.658 27.448 28.188 1.00 0.00 N ATOM 0 H ARG A 42 32.184 30.030 22.468 1.00 0.00 H new ATOM 0 HA ARG A 42 31.868 27.085 22.832 1.00 0.00 H new ATOM 0 HB2 ARG A 42 30.421 29.447 24.102 1.00 0.00 H new ATOM 0 HB3 ARG A 42 29.846 27.794 24.183 1.00 0.00 H new ATOM 0 HG2 ARG A 42 32.710 28.368 25.009 1.00 0.00 H new ATOM 0 HG3 ARG A 42 31.421 28.793 26.117 1.00 0.00 H new ATOM 0 HD2 ARG A 42 31.808 26.016 24.884 1.00 0.00 H new ATOM 0 HD3 ARG A 42 32.304 26.463 26.505 1.00 0.00 H new ATOM 0 HE ARG A 42 29.577 25.877 25.619 1.00 0.00 H new ATOM 0 HH11 ARG A 42 27.977 26.024 27.223 1.00 0.00 H new ATOM 0 HH12 ARG A 42 28.319 26.845 28.750 1.00 0.00 H new ATOM 0 HH21 ARG A 42 31.606 27.649 27.869 1.00 0.00 H new ATOM 0 HH22 ARG A 42 30.354 27.757 29.111 1.00 0.00 H new ATOM 680 N LEU A 43 30.355 27.156 20.812 1.00 0.00 N ATOM 681 CA LEU A 43 29.453 27.190 19.660 1.00 0.00 C ATOM 682 C LEU A 43 28.083 26.633 20.013 1.00 0.00 C ATOM 683 O LEU A 43 27.940 25.451 20.345 1.00 0.00 O ATOM 684 CB LEU A 43 30.037 26.377 18.514 1.00 0.00 C ATOM 685 CG LEU A 43 31.471 26.812 18.208 1.00 0.00 C ATOM 686 CD1 LEU A 43 31.909 26.143 16.909 1.00 0.00 C ATOM 687 CD2 LEU A 43 31.543 28.334 18.042 1.00 0.00 C ATOM 0 H LEU A 43 30.862 26.279 20.933 1.00 0.00 H new ATOM 0 HA LEU A 43 29.341 28.232 19.360 1.00 0.00 H new ATOM 0 HB2 LEU A 43 30.021 25.318 18.770 1.00 0.00 H new ATOM 0 HB3 LEU A 43 29.419 26.499 17.625 1.00 0.00 H new ATOM 0 HG LEU A 43 32.124 26.520 19.030 1.00 0.00 H new ATOM 0 HD11 LEU A 43 32.931 26.441 16.673 1.00 0.00 H new ATOM 0 HD12 LEU A 43 31.864 25.060 17.024 1.00 0.00 H new ATOM 0 HD13 LEU A 43 31.246 26.449 16.100 1.00 0.00 H new ATOM 0 HD21 LEU A 43 32.570 28.628 17.825 1.00 0.00 H new ATOM 0 HD22 LEU A 43 30.896 28.641 17.221 1.00 0.00 H new ATOM 0 HD23 LEU A 43 31.215 28.816 18.963 1.00 0.00 H new ATOM 699 N ILE A 44 27.075 27.500 19.932 1.00 0.00 N ATOM 700 CA ILE A 44 25.692 27.121 20.238 1.00 0.00 C ATOM 701 C ILE A 44 24.822 27.093 18.976 1.00 0.00 C ATOM 702 O ILE A 44 24.685 28.103 18.273 1.00 0.00 O ATOM 703 CB ILE A 44 25.083 28.118 21.230 1.00 0.00 C ATOM 704 CG1 ILE A 44 26.040 28.343 22.411 1.00 0.00 C ATOM 705 CG2 ILE A 44 23.746 27.581 21.749 1.00 0.00 C ATOM 706 CD1 ILE A 44 26.430 27.005 23.051 1.00 0.00 C ATOM 0 H ILE A 44 27.189 28.475 19.656 1.00 0.00 H new ATOM 0 HA ILE A 44 25.716 26.121 20.670 1.00 0.00 H new ATOM 0 HB ILE A 44 24.920 29.067 20.719 1.00 0.00 H new ATOM 0 HG12 ILE A 44 26.935 28.863 22.068 1.00 0.00 H new ATOM 0 HG13 ILE A 44 25.565 28.983 23.154 1.00 0.00 H new ATOM 0 HG21 ILE A 44 23.317 28.293 22.454 1.00 0.00 H new ATOM 0 HG22 ILE A 44 23.061 27.440 20.913 1.00 0.00 H new ATOM 0 HG23 ILE A 44 23.907 26.627 22.250 1.00 0.00 H new ATOM 0 HD11 ILE A 44 27.108 27.185 23.885 1.00 0.00 H new ATOM 0 HD12 ILE A 44 25.534 26.500 23.413 1.00 0.00 H new ATOM 0 HD13 ILE A 44 26.925 26.378 22.310 1.00 0.00 H new ATOM 718 N PHE A 45 24.227 25.930 18.705 1.00 0.00 N ATOM 719 CA PHE A 45 23.352 25.758 17.546 1.00 0.00 C ATOM 720 C PHE A 45 22.161 24.885 17.931 1.00 0.00 C ATOM 721 O PHE A 45 22.329 23.739 18.343 1.00 0.00 O ATOM 722 CB PHE A 45 24.117 25.091 16.406 1.00 0.00 C ATOM 723 CG PHE A 45 23.254 25.041 15.168 1.00 0.00 C ATOM 724 CD1 PHE A 45 23.436 25.980 14.145 1.00 0.00 C ATOM 725 CD2 PHE A 45 22.281 24.046 15.041 1.00 0.00 C ATOM 726 CE1 PHE A 45 22.641 25.922 12.993 1.00 0.00 C ATOM 727 CE2 PHE A 45 21.485 23.988 13.890 1.00 0.00 C ATOM 728 CZ PHE A 45 21.666 24.925 12.865 1.00 0.00 C ATOM 0 H PHE A 45 24.336 25.091 19.275 1.00 0.00 H new ATOM 0 HA PHE A 45 23.002 26.737 17.219 1.00 0.00 H new ATOM 0 HB2 PHE A 45 25.033 25.644 16.199 1.00 0.00 H new ATOM 0 HB3 PHE A 45 24.412 24.082 16.695 1.00 0.00 H new ATOM 0 HD1 PHE A 45 24.189 26.748 14.244 1.00 0.00 H new ATOM 0 HD2 PHE A 45 22.143 23.322 15.830 1.00 0.00 H new ATOM 0 HE1 PHE A 45 22.780 26.646 12.204 1.00 0.00 H new ATOM 0 HE2 PHE A 45 20.731 23.220 13.793 1.00 0.00 H new ATOM 0 HZ PHE A 45 21.054 24.879 11.976 1.00 0.00 H new ATOM 738 N ALA A 46 20.959 25.436 17.804 1.00 0.00 N ATOM 739 CA ALA A 46 19.751 24.694 18.149 1.00 0.00 C ATOM 740 C ALA A 46 19.803 24.207 19.598 1.00 0.00 C ATOM 741 O ALA A 46 19.296 23.132 19.919 1.00 0.00 O ATOM 742 CB ALA A 46 19.591 23.498 17.211 1.00 0.00 C ATOM 0 H ALA A 46 20.795 26.385 17.468 1.00 0.00 H new ATOM 0 HA ALA A 46 18.897 25.362 18.039 1.00 0.00 H new ATOM 0 HB1 ALA A 46 18.687 22.948 17.474 1.00 0.00 H new ATOM 0 HB2 ALA A 46 19.515 23.850 16.182 1.00 0.00 H new ATOM 0 HB3 ALA A 46 20.456 22.842 17.307 1.00 0.00 H new ATOM 748 N GLY A 47 20.404 25.012 20.468 1.00 0.00 N ATOM 749 CA GLY A 47 20.501 24.665 21.886 1.00 0.00 C ATOM 750 C GLY A 47 21.409 23.458 22.126 1.00 0.00 C ATOM 751 O GLY A 47 21.350 22.835 23.186 1.00 0.00 O ATOM 0 H GLY A 47 20.830 25.905 20.220 1.00 0.00 H new ATOM 0 HA2 GLY A 47 20.883 25.521 22.442 1.00 0.00 H new ATOM 0 HA3 GLY A 47 19.505 24.451 22.275 1.00 0.00 H new ATOM 755 N LYS A 48 22.257 23.132 21.147 1.00 0.00 N ATOM 756 CA LYS A 48 23.185 21.998 21.276 1.00 0.00 C ATOM 757 C LYS A 48 24.621 22.451 21.042 1.00 0.00 C ATOM 758 O LYS A 48 24.922 23.057 20.013 1.00 0.00 O ATOM 759 CB LYS A 48 22.837 20.914 20.263 1.00 0.00 C ATOM 760 CG LYS A 48 21.405 20.427 20.487 1.00 0.00 C ATOM 761 CD LYS A 48 21.065 19.353 19.450 1.00 0.00 C ATOM 762 CE LYS A 48 19.584 18.988 19.559 1.00 0.00 C ATOM 763 NZ LYS A 48 19.341 18.286 20.851 1.00 0.00 N ATOM 0 H LYS A 48 22.323 23.632 20.260 1.00 0.00 H new ATOM 0 HA LYS A 48 23.092 21.600 22.286 1.00 0.00 H new ATOM 0 HB2 LYS A 48 22.943 21.304 19.251 1.00 0.00 H new ATOM 0 HB3 LYS A 48 23.532 20.080 20.358 1.00 0.00 H new ATOM 0 HG2 LYS A 48 21.300 20.022 21.494 1.00 0.00 H new ATOM 0 HG3 LYS A 48 20.708 21.261 20.405 1.00 0.00 H new ATOM 0 HD2 LYS A 48 21.288 19.718 18.447 1.00 0.00 H new ATOM 0 HD3 LYS A 48 21.681 18.469 19.612 1.00 0.00 H new ATOM 0 HE2 LYS A 48 18.971 19.887 19.500 1.00 0.00 H new ATOM 0 HE3 LYS A 48 19.293 18.349 18.725 1.00 0.00 H new ATOM 0 HZ1 LYS A 48 18.392 17.860 20.841 1.00 0.00 H new ATOM 0 HZ2 LYS A 48 20.054 17.540 20.980 1.00 0.00 H new ATOM 0 HZ3 LYS A 48 19.407 18.967 21.634 1.00 0.00 H new ATOM 777 N GLN A 49 25.518 22.138 21.977 1.00 0.00 N ATOM 778 CA GLN A 49 26.915 22.507 21.819 1.00 0.00 C ATOM 779 C GLN A 49 27.591 21.587 20.814 1.00 0.00 C ATOM 780 O GLN A 49 27.447 20.367 20.882 1.00 0.00 O ATOM 781 CB GLN A 49 27.643 22.422 23.151 1.00 0.00 C ATOM 782 CG GLN A 49 27.169 23.552 24.066 1.00 0.00 C ATOM 783 CD GLN A 49 27.740 23.366 25.467 1.00 0.00 C ATOM 784 OE1 GLN A 49 26.990 23.293 26.439 1.00 0.00 O ATOM 785 NE2 GLN A 49 29.033 23.283 25.629 1.00 0.00 N ATOM 0 H GLN A 49 25.302 21.637 22.839 1.00 0.00 H new ATOM 0 HA GLN A 49 26.957 23.534 21.455 1.00 0.00 H new ATOM 0 HB2 GLN A 49 27.453 21.457 23.620 1.00 0.00 H new ATOM 0 HB3 GLN A 49 28.719 22.494 22.994 1.00 0.00 H new ATOM 0 HG2 GLN A 49 27.483 24.514 23.661 1.00 0.00 H new ATOM 0 HG3 GLN A 49 26.080 23.564 24.107 1.00 0.00 H new ATOM 0 HE21 GLN A 49 29.653 23.344 24.821 1.00 0.00 H new ATOM 0 HE22 GLN A 49 29.423 23.157 26.563 1.00 0.00 H new ATOM 794 N LEU A 50 28.306 22.175 19.867 1.00 0.00 N ATOM 795 CA LEU A 50 28.970 21.383 18.842 1.00 0.00 C ATOM 796 C LEU A 50 30.138 20.596 19.435 1.00 0.00 C ATOM 797 O LEU A 50 30.907 21.116 20.245 1.00 0.00 O ATOM 798 CB LEU A 50 29.463 22.297 17.721 1.00 0.00 C ATOM 799 CG LEU A 50 28.275 22.740 16.856 1.00 0.00 C ATOM 800 CD1 LEU A 50 27.280 23.549 17.698 1.00 0.00 C ATOM 801 CD2 LEU A 50 28.780 23.610 15.704 1.00 0.00 C ATOM 0 H LEU A 50 28.441 23.183 19.786 1.00 0.00 H new ATOM 0 HA LEU A 50 28.253 20.670 18.434 1.00 0.00 H new ATOM 0 HB2 LEU A 50 29.963 23.169 18.143 1.00 0.00 H new ATOM 0 HB3 LEU A 50 30.197 21.774 17.108 1.00 0.00 H new ATOM 0 HG LEU A 50 27.776 21.855 16.462 1.00 0.00 H new ATOM 0 HD11 LEU A 50 26.442 23.858 17.074 1.00 0.00 H new ATOM 0 HD12 LEU A 50 26.913 22.933 18.519 1.00 0.00 H new ATOM 0 HD13 LEU A 50 27.777 24.432 18.100 1.00 0.00 H new ATOM 0 HD21 LEU A 50 27.937 23.925 15.089 1.00 0.00 H new ATOM 0 HD22 LEU A 50 29.284 24.489 16.106 1.00 0.00 H new ATOM 0 HD23 LEU A 50 29.479 23.037 15.095 1.00 0.00 H new ATOM 813 N GLU A 51 30.249 19.332 19.027 1.00 0.00 N ATOM 814 CA GLU A 51 31.303 18.453 19.510 1.00 0.00 C ATOM 815 C GLU A 51 32.661 18.843 18.930 1.00 0.00 C ATOM 816 O GLU A 51 32.789 19.075 17.724 1.00 0.00 O ATOM 817 CB GLU A 51 30.967 17.010 19.131 1.00 0.00 C ATOM 818 CG GLU A 51 31.737 16.051 20.033 1.00 0.00 C ATOM 819 CD GLU A 51 31.716 14.646 19.440 1.00 0.00 C ATOM 820 OE1 GLU A 51 32.603 14.340 18.660 1.00 0.00 O ATOM 821 OE2 GLU A 51 30.814 13.895 19.775 1.00 0.00 O ATOM 0 H GLU A 51 29.615 18.895 18.358 1.00 0.00 H new ATOM 0 HA GLU A 51 31.365 18.548 20.594 1.00 0.00 H new ATOM 0 HB2 GLU A 51 29.895 16.837 19.231 1.00 0.00 H new ATOM 0 HB3 GLU A 51 31.223 16.828 18.087 1.00 0.00 H new ATOM 0 HG2 GLU A 51 32.766 16.392 20.145 1.00 0.00 H new ATOM 0 HG3 GLU A 51 31.294 16.041 21.029 1.00 0.00 H new ATOM 828 N ASP A 52 33.663 18.925 19.800 1.00 0.00 N ATOM 829 CA ASP A 52 35.006 19.303 19.394 1.00 0.00 C ATOM 830 C ASP A 52 35.624 18.322 18.391 1.00 0.00 C ATOM 831 O ASP A 52 36.840 18.333 18.203 1.00 0.00 O ATOM 832 CB ASP A 52 35.905 19.378 20.630 1.00 0.00 C ATOM 833 CG ASP A 52 35.441 20.500 21.551 1.00 0.00 C ATOM 834 OD1 ASP A 52 34.905 21.472 21.044 1.00 0.00 O ATOM 835 OD2 ASP A 52 35.627 20.374 22.751 1.00 0.00 O ATOM 0 H ASP A 52 33.565 18.733 20.797 1.00 0.00 H new ATOM 0 HA ASP A 52 34.930 20.272 18.901 1.00 0.00 H new ATOM 0 HB2 ASP A 52 35.883 18.427 21.163 1.00 0.00 H new ATOM 0 HB3 ASP A 52 36.938 19.550 20.327 1.00 0.00 H new ATOM 840 N GLY A 53 34.818 17.470 17.746 1.00 0.00 N ATOM 841 CA GLY A 53 35.391 16.514 16.787 1.00 0.00 C ATOM 842 C GLY A 53 34.377 15.985 15.765 1.00 0.00 C ATOM 843 O GLY A 53 34.602 14.933 15.170 1.00 0.00 O ATOM 0 H GLY A 53 33.806 17.420 17.862 1.00 0.00 H new ATOM 0 HA2 GLY A 53 36.213 16.994 16.256 1.00 0.00 H new ATOM 0 HA3 GLY A 53 35.814 15.672 17.335 1.00 0.00 H new ATOM 847 N ARG A 54 33.277 16.708 15.544 1.00 0.00 N ATOM 848 CA ARG A 54 32.267 16.267 14.562 1.00 0.00 C ATOM 849 C ARG A 54 32.370 17.074 13.268 1.00 0.00 C ATOM 850 O ARG A 54 33.120 18.048 13.183 1.00 0.00 O ATOM 851 CB ARG A 54 30.847 16.401 15.153 1.00 0.00 C ATOM 852 CG ARG A 54 30.463 15.115 15.905 1.00 0.00 C ATOM 853 CD ARG A 54 29.022 15.215 16.430 1.00 0.00 C ATOM 854 NE ARG A 54 28.883 14.441 17.661 1.00 0.00 N ATOM 855 CZ ARG A 54 28.824 13.111 17.637 1.00 0.00 C ATOM 856 NH1 ARG A 54 28.711 12.443 18.754 1.00 0.00 N ATOM 857 NH2 ARG A 54 28.874 12.474 16.500 1.00 0.00 N ATOM 0 H ARG A 54 33.059 17.585 16.018 1.00 0.00 H new ATOM 0 HA ARG A 54 32.460 15.219 14.331 1.00 0.00 H new ATOM 0 HB2 ARG A 54 30.806 17.254 15.831 1.00 0.00 H new ATOM 0 HB3 ARG A 54 30.129 16.593 14.355 1.00 0.00 H new ATOM 0 HG2 ARG A 54 30.557 14.256 15.241 1.00 0.00 H new ATOM 0 HG3 ARG A 54 31.150 14.952 16.736 1.00 0.00 H new ATOM 0 HD2 ARG A 54 28.766 16.258 16.616 1.00 0.00 H new ATOM 0 HD3 ARG A 54 28.326 14.845 15.678 1.00 0.00 H new ATOM 0 HE ARG A 54 28.830 14.928 18.555 1.00 0.00 H new ATOM 0 HH11 ARG A 54 28.668 12.940 19.644 1.00 0.00 H new ATOM 0 HH12 ARG A 54 28.666 11.424 18.737 1.00 0.00 H new ATOM 0 HH21 ARG A 54 28.958 12.995 15.627 1.00 0.00 H new ATOM 0 HH22 ARG A 54 28.829 11.455 16.484 1.00 0.00 H new ATOM 871 N THR A 55 31.599 16.646 12.266 1.00 0.00 N ATOM 872 CA THR A 55 31.576 17.312 10.960 1.00 0.00 C ATOM 873 C THR A 55 30.288 18.111 10.798 1.00 0.00 C ATOM 874 O THR A 55 29.240 17.741 11.342 1.00 0.00 O ATOM 875 CB THR A 55 31.675 16.271 9.840 1.00 0.00 C ATOM 876 OG1 THR A 55 30.574 15.377 9.929 1.00 0.00 O ATOM 877 CG2 THR A 55 32.983 15.489 9.981 1.00 0.00 C ATOM 0 H THR A 55 30.980 15.838 12.334 1.00 0.00 H new ATOM 0 HA THR A 55 32.427 17.990 10.900 1.00 0.00 H new ATOM 0 HB THR A 55 31.658 16.774 8.873 1.00 0.00 H new ATOM 0 HG1 THR A 55 30.634 14.711 9.212 1.00 0.00 H new ATOM 0 HG21 THR A 55 33.052 14.749 9.184 1.00 0.00 H new ATOM 0 HG22 THR A 55 33.827 16.176 9.913 1.00 0.00 H new ATOM 0 HG23 THR A 55 33.003 14.985 10.947 1.00 0.00 H new ATOM 885 N LEU A 56 30.348 19.191 10.026 1.00 0.00 N ATOM 886 CA LEU A 56 29.161 19.989 9.801 1.00 0.00 C ATOM 887 C LEU A 56 28.072 19.117 9.193 1.00 0.00 C ATOM 888 O LEU A 56 26.899 19.270 9.523 1.00 0.00 O ATOM 889 CB LEU A 56 29.481 21.172 8.884 1.00 0.00 C ATOM 890 CG LEU A 56 30.212 22.269 9.673 1.00 0.00 C ATOM 891 CD1 LEU A 56 31.633 21.808 10.023 1.00 0.00 C ATOM 892 CD2 LEU A 56 30.283 23.527 8.814 1.00 0.00 C ATOM 0 H LEU A 56 31.190 19.524 9.557 1.00 0.00 H new ATOM 0 HA LEU A 56 28.807 20.385 10.753 1.00 0.00 H new ATOM 0 HB2 LEU A 56 30.100 20.839 8.051 1.00 0.00 H new ATOM 0 HB3 LEU A 56 28.561 21.571 8.458 1.00 0.00 H new ATOM 0 HG LEU A 56 29.671 22.475 10.597 1.00 0.00 H new ATOM 0 HD11 LEU A 56 32.143 22.593 10.582 1.00 0.00 H new ATOM 0 HD12 LEU A 56 31.583 20.904 10.630 1.00 0.00 H new ATOM 0 HD13 LEU A 56 32.184 21.599 9.106 1.00 0.00 H new ATOM 0 HD21 LEU A 56 30.800 24.314 9.363 1.00 0.00 H new ATOM 0 HD22 LEU A 56 30.826 23.309 7.894 1.00 0.00 H new ATOM 0 HD23 LEU A 56 29.274 23.858 8.570 1.00 0.00 H new ATOM 904 N SER A 57 28.452 18.212 8.286 1.00 0.00 N ATOM 905 CA SER A 57 27.480 17.337 7.630 1.00 0.00 C ATOM 906 C SER A 57 26.511 16.724 8.638 1.00 0.00 C ATOM 907 O SER A 57 25.305 16.626 8.376 1.00 0.00 O ATOM 908 CB SER A 57 28.212 16.218 6.888 1.00 0.00 C ATOM 909 OG SER A 57 27.262 15.300 6.365 1.00 0.00 O ATOM 0 H SER A 57 29.418 18.068 7.992 1.00 0.00 H new ATOM 0 HA SER A 57 26.907 17.941 6.927 1.00 0.00 H new ATOM 0 HB2 SER A 57 28.814 16.635 6.081 1.00 0.00 H new ATOM 0 HB3 SER A 57 28.896 15.705 7.564 1.00 0.00 H new ATOM 0 HG SER A 57 27.729 14.583 5.888 1.00 0.00 H new ATOM 915 N ASP A 58 27.031 16.339 9.797 1.00 0.00 N ATOM 916 CA ASP A 58 26.181 15.769 10.829 1.00 0.00 C ATOM 917 C ASP A 58 25.178 16.824 11.260 1.00 0.00 C ATOM 918 O ASP A 58 24.014 16.532 11.544 1.00 0.00 O ATOM 919 CB ASP A 58 27.024 15.323 12.030 1.00 0.00 C ATOM 920 CG ASP A 58 26.202 14.421 12.945 1.00 0.00 C ATOM 921 OD1 ASP A 58 25.345 13.715 12.436 1.00 0.00 O ATOM 922 OD2 ASP A 58 26.440 14.448 14.141 1.00 0.00 O ATOM 0 H ASP A 58 28.019 16.410 10.041 1.00 0.00 H new ATOM 0 HA ASP A 58 25.661 14.895 10.437 1.00 0.00 H new ATOM 0 HB2 ASP A 58 27.910 14.791 11.684 1.00 0.00 H new ATOM 0 HB3 ASP A 58 27.371 16.195 12.584 1.00 0.00 H new ATOM 927 N TYR A 59 25.655 18.064 11.290 1.00 0.00 N ATOM 928 CA TYR A 59 24.824 19.197 11.676 1.00 0.00 C ATOM 929 C TYR A 59 24.031 19.744 10.481 1.00 0.00 C ATOM 930 O TYR A 59 23.219 20.656 10.639 1.00 0.00 O ATOM 931 CB TYR A 59 25.714 20.298 12.250 1.00 0.00 C ATOM 932 CG TYR A 59 26.260 19.864 13.596 1.00 0.00 C ATOM 933 CD1 TYR A 59 27.606 19.492 13.720 1.00 0.00 C ATOM 934 CD2 TYR A 59 25.423 19.837 14.720 1.00 0.00 C ATOM 935 CE1 TYR A 59 28.112 19.093 14.962 1.00 0.00 C ATOM 936 CE2 TYR A 59 25.931 19.436 15.962 1.00 0.00 C ATOM 937 CZ TYR A 59 27.275 19.066 16.083 1.00 0.00 C ATOM 938 OH TYR A 59 27.776 18.670 17.307 1.00 0.00 O ATOM 0 H TYR A 59 26.616 18.309 11.051 1.00 0.00 H new ATOM 0 HA TYR A 59 24.109 18.860 12.427 1.00 0.00 H new ATOM 0 HB2 TYR A 59 26.535 20.509 11.565 1.00 0.00 H new ATOM 0 HB3 TYR A 59 25.144 21.220 12.358 1.00 0.00 H new ATOM 0 HD1 TYR A 59 28.253 19.513 12.856 1.00 0.00 H new ATOM 0 HD2 TYR A 59 24.386 20.125 14.628 1.00 0.00 H new ATOM 0 HE1 TYR A 59 29.149 18.806 15.055 1.00 0.00 H new ATOM 0 HE2 TYR A 59 25.285 19.412 16.827 1.00 0.00 H new ATOM 0 HH TYR A 59 27.065 18.709 17.980 1.00 0.00 H new ATOM 948 N ASN A 60 24.263 19.191 9.285 1.00 0.00 N ATOM 949 CA ASN A 60 23.549 19.650 8.089 1.00 0.00 C ATOM 950 C ASN A 60 22.194 18.963 7.984 1.00 0.00 C ATOM 951 O ASN A 60 21.210 19.563 7.551 1.00 0.00 O ATOM 952 CB ASN A 60 24.367 19.366 6.827 1.00 0.00 C ATOM 953 CG ASN A 60 25.643 20.201 6.837 1.00 0.00 C ATOM 954 OD1 ASN A 60 25.908 20.960 7.865 1.00 0.00 O flip ATOM 955 ND2 ASN A 60 26.418 20.161 5.882 1.00 0.00 N flip ATOM 0 H ASN A 60 24.929 18.436 9.121 1.00 0.00 H new ATOM 0 HA ASN A 60 23.400 20.726 8.177 1.00 0.00 H new ATOM 0 HB2 ASN A 60 24.616 18.306 6.775 1.00 0.00 H new ATOM 0 HB3 ASN A 60 23.777 19.598 5.941 1.00 0.00 H new ATOM 0 HD21 ASN A 60 26.209 19.567 5.080 1.00 0.00 H new ATOM 0 HD22 ASN A 60 27.270 20.722 5.893 1.00 0.00 H new ATOM 962 N ILE A 61 22.138 17.702 8.397 1.00 0.00 N ATOM 963 CA ILE A 61 20.875 16.968 8.356 1.00 0.00 C ATOM 964 C ILE A 61 19.877 17.638 9.300 1.00 0.00 C ATOM 965 O ILE A 61 18.761 17.985 8.908 1.00 0.00 O ATOM 966 CB ILE A 61 21.097 15.511 8.775 1.00 0.00 C ATOM 967 CG1 ILE A 61 22.001 14.826 7.747 1.00 0.00 C ATOM 968 CG2 ILE A 61 19.755 14.782 8.846 1.00 0.00 C ATOM 969 CD1 ILE A 61 22.460 13.467 8.286 1.00 0.00 C ATOM 0 H ILE A 61 22.933 17.174 8.757 1.00 0.00 H new ATOM 0 HA ILE A 61 20.481 16.979 7.340 1.00 0.00 H new ATOM 0 HB ILE A 61 21.569 15.482 9.757 1.00 0.00 H new ATOM 0 HG12 ILE A 61 21.464 14.693 6.808 1.00 0.00 H new ATOM 0 HG13 ILE A 61 22.866 15.454 7.533 1.00 0.00 H new ATOM 0 HG21 ILE A 61 19.919 13.746 9.144 1.00 0.00 H new ATOM 0 HG22 ILE A 61 19.112 15.273 9.577 1.00 0.00 H new ATOM 0 HG23 ILE A 61 19.276 14.806 7.867 1.00 0.00 H new ATOM 0 HD11 ILE A 61 23.103 12.983 7.551 1.00 0.00 H new ATOM 0 HD12 ILE A 61 23.014 13.612 9.214 1.00 0.00 H new ATOM 0 HD13 ILE A 61 21.590 12.839 8.477 1.00 0.00 H new ATOM 981 N GLN A 62 20.304 17.812 10.544 1.00 0.00 N ATOM 982 CA GLN A 62 19.466 18.441 11.559 1.00 0.00 C ATOM 983 C GLN A 62 19.329 19.938 11.273 1.00 0.00 C ATOM 984 O GLN A 62 19.459 20.764 12.178 1.00 0.00 O ATOM 985 CB GLN A 62 20.098 18.236 12.940 1.00 0.00 C ATOM 986 CG GLN A 62 20.135 16.744 13.279 1.00 0.00 C ATOM 987 CD GLN A 62 21.008 16.510 14.510 1.00 0.00 C ATOM 988 OE1 GLN A 62 21.096 17.375 15.381 1.00 0.00 O ATOM 989 NE2 GLN A 62 21.662 15.387 14.635 1.00 0.00 N ATOM 0 H GLN A 62 21.226 17.527 10.875 1.00 0.00 H new ATOM 0 HA GLN A 62 18.476 17.985 11.539 1.00 0.00 H new ATOM 0 HB2 GLN A 62 21.108 18.646 12.952 1.00 0.00 H new ATOM 0 HB3 GLN A 62 19.526 18.775 13.695 1.00 0.00 H new ATOM 0 HG2 GLN A 62 19.125 16.380 13.465 1.00 0.00 H new ATOM 0 HG3 GLN A 62 20.527 16.180 12.433 1.00 0.00 H new ATOM 0 HE21 GLN A 62 21.588 14.671 13.913 1.00 0.00 H new ATOM 0 HE22 GLN A 62 22.247 15.226 15.455 1.00 0.00 H new ATOM 998 N LYS A 63 19.055 20.283 10.012 1.00 0.00 N ATOM 999 CA LYS A 63 18.892 21.686 9.625 1.00 0.00 C ATOM 1000 C LYS A 63 17.503 22.224 10.017 1.00 0.00 C ATOM 1001 O LYS A 63 16.719 22.633 9.158 1.00 0.00 O ATOM 1002 CB LYS A 63 19.133 21.851 8.104 1.00 0.00 C ATOM 1003 CG LYS A 63 20.615 22.184 7.835 1.00 0.00 C ATOM 1004 CD LYS A 63 20.851 23.699 7.993 1.00 0.00 C ATOM 1005 CE LYS A 63 20.531 24.418 6.676 1.00 0.00 C ATOM 1006 NZ LYS A 63 21.680 24.265 5.746 1.00 0.00 N ATOM 0 H LYS A 63 18.942 19.617 9.248 1.00 0.00 H new ATOM 0 HA LYS A 63 19.634 22.273 10.166 1.00 0.00 H new ATOM 0 HB2 LYS A 63 18.858 20.934 7.583 1.00 0.00 H new ATOM 0 HB3 LYS A 63 18.497 22.644 7.711 1.00 0.00 H new ATOM 0 HG2 LYS A 63 21.252 21.634 8.528 1.00 0.00 H new ATOM 0 HG3 LYS A 63 20.891 21.867 6.829 1.00 0.00 H new ATOM 0 HD2 LYS A 63 20.224 24.092 8.793 1.00 0.00 H new ATOM 0 HD3 LYS A 63 21.886 23.887 8.278 1.00 0.00 H new ATOM 0 HE2 LYS A 63 19.628 24.001 6.230 1.00 0.00 H new ATOM 0 HE3 LYS A 63 20.336 25.474 6.862 1.00 0.00 H new ATOM 0 HZ1 LYS A 63 21.933 25.193 5.351 1.00 0.00 H new ATOM 0 HZ2 LYS A 63 22.494 23.875 6.262 1.00 0.00 H new ATOM 0 HZ3 LYS A 63 21.418 23.620 4.974 1.00 0.00 H new ATOM 1020 N GLU A 64 17.210 22.226 11.307 1.00 0.00 N ATOM 1021 CA GLU A 64 15.916 22.718 11.771 1.00 0.00 C ATOM 1022 C GLU A 64 15.682 24.135 11.248 1.00 0.00 C ATOM 1023 O GLU A 64 14.561 24.503 10.900 1.00 0.00 O ATOM 1024 CB GLU A 64 15.894 22.738 13.302 1.00 0.00 C ATOM 1025 CG GLU A 64 16.141 21.328 13.845 1.00 0.00 C ATOM 1026 CD GLU A 64 16.347 21.379 15.359 1.00 0.00 C ATOM 1027 OE1 GLU A 64 15.427 21.788 16.048 1.00 0.00 O ATOM 1028 OE2 GLU A 64 17.422 21.013 15.803 1.00 0.00 O ATOM 0 H GLU A 64 17.836 21.899 12.043 1.00 0.00 H new ATOM 0 HA GLU A 64 15.131 22.059 11.400 1.00 0.00 H new ATOM 0 HB2 GLU A 64 16.657 23.420 13.676 1.00 0.00 H new ATOM 0 HB3 GLU A 64 14.933 23.110 13.656 1.00 0.00 H new ATOM 0 HG2 GLU A 64 15.294 20.684 13.606 1.00 0.00 H new ATOM 0 HG3 GLU A 64 17.018 20.893 13.365 1.00 0.00 H new ATOM 1049 N THR A 66 18.301 27.709 9.538 1.00 0.00 N ATOM 1050 CA THR A 66 19.346 28.001 8.557 1.00 0.00 C ATOM 1051 C THR A 66 20.710 27.743 9.194 1.00 0.00 C ATOM 1052 O THR A 66 20.780 27.364 10.363 1.00 0.00 O ATOM 1053 CB THR A 66 19.238 29.473 8.095 1.00 0.00 C ATOM 1054 OG1 THR A 66 17.964 29.987 8.454 1.00 0.00 O ATOM 1055 CG2 THR A 66 19.411 29.550 6.577 1.00 0.00 C ATOM 0 HA THR A 66 19.226 27.357 7.686 1.00 0.00 H new ATOM 0 HB THR A 66 20.018 30.062 8.576 1.00 0.00 H new ATOM 0 HG1 THR A 66 17.467 29.308 8.956 1.00 0.00 H new ATOM 0 HG21 THR A 66 19.334 30.588 6.254 1.00 0.00 H new ATOM 0 HG22 THR A 66 20.389 29.156 6.302 1.00 0.00 H new ATOM 0 HG23 THR A 66 18.633 28.961 6.092 1.00 0.00 H new ATOM 1063 N LEU A 67 21.794 27.935 8.436 1.00 0.00 N ATOM 1064 CA LEU A 67 23.127 27.694 8.962 1.00 0.00 C ATOM 1065 C LEU A 67 23.596 28.873 9.802 1.00 0.00 C ATOM 1066 O LEU A 67 24.759 29.286 9.733 1.00 0.00 O ATOM 1067 CB LEU A 67 24.088 27.490 7.783 1.00 0.00 C ATOM 1068 CG LEU A 67 23.699 26.220 6.991 1.00 0.00 C ATOM 1069 CD1 LEU A 67 24.149 26.343 5.529 1.00 0.00 C ATOM 1070 CD2 LEU A 67 24.372 24.993 7.620 1.00 0.00 C ATOM 0 H LEU A 67 21.769 28.253 7.467 1.00 0.00 H new ATOM 0 HA LEU A 67 23.108 26.808 9.596 1.00 0.00 H new ATOM 0 HB2 LEU A 67 24.060 28.360 7.127 1.00 0.00 H new ATOM 0 HB3 LEU A 67 25.111 27.400 8.149 1.00 0.00 H new ATOM 0 HG LEU A 67 22.615 26.108 7.025 1.00 0.00 H new ATOM 0 HD11 LEU A 67 23.868 25.441 4.985 1.00 0.00 H new ATOM 0 HD12 LEU A 67 23.668 27.208 5.072 1.00 0.00 H new ATOM 0 HD13 LEU A 67 25.231 26.468 5.491 1.00 0.00 H new ATOM 0 HD21 LEU A 67 24.096 24.100 7.060 1.00 0.00 H new ATOM 0 HD22 LEU A 67 25.454 25.118 7.593 1.00 0.00 H new ATOM 0 HD23 LEU A 67 24.044 24.888 8.654 1.00 0.00 H new ATOM 1082 N HIS A 68 22.683 29.397 10.606 1.00 0.00 N ATOM 1083 CA HIS A 68 22.996 30.511 11.487 1.00 0.00 C ATOM 1084 C HIS A 68 23.610 29.969 12.769 1.00 0.00 C ATOM 1085 O HIS A 68 23.008 29.147 13.459 1.00 0.00 O ATOM 1086 CB HIS A 68 21.724 31.289 11.819 1.00 0.00 C ATOM 1087 CG HIS A 68 22.071 32.500 12.642 1.00 0.00 C ATOM 1088 ND1 HIS A 68 21.868 32.546 14.012 1.00 0.00 N ATOM 1089 CD2 HIS A 68 22.603 33.718 12.299 1.00 0.00 C ATOM 1090 CE1 HIS A 68 22.272 33.756 14.441 1.00 0.00 C ATOM 1091 NE2 HIS A 68 22.730 34.510 13.436 1.00 0.00 N ATOM 0 H HIS A 68 21.719 29.068 10.666 1.00 0.00 H new ATOM 0 HA HIS A 68 23.699 31.180 10.991 1.00 0.00 H new ATOM 0 HB2 HIS A 68 21.222 31.593 10.901 1.00 0.00 H new ATOM 0 HB3 HIS A 68 21.029 30.652 12.366 1.00 0.00 H new ATOM 0 HD1 HIS A 68 21.483 31.799 14.590 1.00 0.00 H new ATOM 0 HD2 HIS A 68 22.881 34.016 11.299 1.00 0.00 H new ATOM 0 HE1 HIS A 68 22.231 34.079 15.471 1.00 0.00 H new ATOM 1100 N LEU A 69 24.820 30.420 13.071 1.00 0.00 N ATOM 1101 CA LEU A 69 25.539 29.970 14.259 1.00 0.00 C ATOM 1102 C LEU A 69 25.725 31.126 15.233 1.00 0.00 C ATOM 1103 O LEU A 69 26.064 32.239 14.829 1.00 0.00 O ATOM 1104 CB LEU A 69 26.903 29.415 13.825 1.00 0.00 C ATOM 1105 CG LEU A 69 27.752 29.034 15.044 1.00 0.00 C ATOM 1106 CD1 LEU A 69 26.981 28.053 15.937 1.00 0.00 C ATOM 1107 CD2 LEU A 69 29.048 28.372 14.560 1.00 0.00 C ATOM 0 H LEU A 69 25.328 31.101 12.507 1.00 0.00 H new ATOM 0 HA LEU A 69 24.967 29.191 14.763 1.00 0.00 H new ATOM 0 HB2 LEU A 69 26.759 28.541 13.190 1.00 0.00 H new ATOM 0 HB3 LEU A 69 27.430 30.160 13.228 1.00 0.00 H new ATOM 0 HG LEU A 69 27.982 29.930 15.620 1.00 0.00 H new ATOM 0 HD11 LEU A 69 27.592 27.789 16.800 1.00 0.00 H new ATOM 0 HD12 LEU A 69 26.057 28.520 16.277 1.00 0.00 H new ATOM 0 HD13 LEU A 69 26.746 27.153 15.370 1.00 0.00 H new ATOM 0 HD21 LEU A 69 29.659 28.097 15.420 1.00 0.00 H new ATOM 0 HD22 LEU A 69 28.807 27.478 13.985 1.00 0.00 H new ATOM 0 HD23 LEU A 69 29.600 29.070 13.931 1.00 0.00 H new ATOM 1119 N VAL A 70 25.524 30.848 16.522 1.00 0.00 N ATOM 1120 CA VAL A 70 25.699 31.864 17.552 1.00 0.00 C ATOM 1121 C VAL A 70 27.009 31.628 18.287 1.00 0.00 C ATOM 1122 O VAL A 70 27.250 30.542 18.815 1.00 0.00 O ATOM 1123 CB VAL A 70 24.524 31.830 18.532 1.00 0.00 C ATOM 1124 CG1 VAL A 70 24.813 32.744 19.727 1.00 0.00 C ATOM 1125 CG2 VAL A 70 23.263 32.316 17.816 1.00 0.00 C ATOM 0 H VAL A 70 25.242 29.933 16.873 1.00 0.00 H new ATOM 0 HA VAL A 70 25.729 32.848 17.083 1.00 0.00 H new ATOM 0 HB VAL A 70 24.380 30.810 18.890 1.00 0.00 H new ATOM 0 HG11 VAL A 70 23.972 32.714 20.420 1.00 0.00 H new ATOM 0 HG12 VAL A 70 25.715 32.403 20.236 1.00 0.00 H new ATOM 0 HG13 VAL A 70 24.958 33.766 19.377 1.00 0.00 H new ATOM 0 HG21 VAL A 70 22.421 32.295 18.508 1.00 0.00 H new ATOM 0 HG22 VAL A 70 23.416 33.335 17.462 1.00 0.00 H new ATOM 0 HG23 VAL A 70 23.052 31.665 16.968 1.00 0.00 H new ATOM 1135 N LEU A 71 27.855 32.654 18.316 1.00 0.00 N ATOM 1136 CA LEU A 71 29.147 32.550 18.988 1.00 0.00 C ATOM 1137 C LEU A 71 29.050 33.048 20.424 1.00 0.00 C ATOM 1138 O LEU A 71 28.666 34.191 20.676 1.00 0.00 O ATOM 1139 CB LEU A 71 30.207 33.363 18.231 1.00 0.00 C ATOM 1140 CG LEU A 71 31.578 33.213 18.915 1.00 0.00 C ATOM 1141 CD1 LEU A 71 32.019 31.738 18.904 1.00 0.00 C ATOM 1142 CD2 LEU A 71 32.611 34.061 18.167 1.00 0.00 C ATOM 0 H LEU A 71 27.672 33.560 17.886 1.00 0.00 H new ATOM 0 HA LEU A 71 29.439 31.500 19.000 1.00 0.00 H new ATOM 0 HB2 LEU A 71 30.268 33.022 17.198 1.00 0.00 H new ATOM 0 HB3 LEU A 71 29.919 34.414 18.203 1.00 0.00 H new ATOM 0 HG LEU A 71 31.501 33.551 19.949 1.00 0.00 H new ATOM 0 HD11 LEU A 71 32.990 31.645 19.391 1.00 0.00 H new ATOM 0 HD12 LEU A 71 31.286 31.135 19.439 1.00 0.00 H new ATOM 0 HD13 LEU A 71 32.094 31.388 17.874 1.00 0.00 H new ATOM 0 HD21 LEU A 71 33.584 33.958 18.648 1.00 0.00 H new ATOM 0 HD22 LEU A 71 32.680 33.722 17.133 1.00 0.00 H new ATOM 0 HD23 LEU A 71 32.306 35.107 18.187 1.00 0.00 H new ATOM 1154 N ARG A 72 29.424 32.182 21.361 1.00 0.00 N ATOM 1155 CA ARG A 72 29.408 32.516 22.785 1.00 0.00 C ATOM 1156 C ARG A 72 30.820 32.382 23.351 1.00 0.00 C ATOM 1157 O ARG A 72 31.625 31.609 22.841 1.00 0.00 O ATOM 1158 CB ARG A 72 28.458 31.554 23.524 1.00 0.00 C ATOM 1159 CG ARG A 72 27.020 32.112 23.537 1.00 0.00 C ATOM 1160 CD ARG A 72 26.834 33.058 24.728 1.00 0.00 C ATOM 1161 NE ARG A 72 25.507 33.659 24.692 1.00 0.00 N ATOM 1162 CZ ARG A 72 25.063 34.403 25.699 1.00 0.00 C ATOM 1163 NH1 ARG A 72 23.872 34.933 25.643 1.00 0.00 N ATOM 1164 NH2 ARG A 72 25.818 34.603 26.744 1.00 0.00 N ATOM 0 H ARG A 72 29.745 31.235 21.159 1.00 0.00 H new ATOM 0 HA ARG A 72 29.061 33.540 22.919 1.00 0.00 H new ATOM 0 HB2 ARG A 72 28.470 30.578 23.039 1.00 0.00 H new ATOM 0 HB3 ARG A 72 28.805 31.406 24.547 1.00 0.00 H new ATOM 0 HG2 ARG A 72 26.819 32.642 22.606 1.00 0.00 H new ATOM 0 HG3 ARG A 72 26.304 31.292 23.598 1.00 0.00 H new ATOM 0 HD2 ARG A 72 26.968 32.510 25.661 1.00 0.00 H new ATOM 0 HD3 ARG A 72 27.595 33.838 24.704 1.00 0.00 H new ATOM 0 HE ARG A 72 24.909 33.506 23.880 1.00 0.00 H new ATOM 0 HH11 ARG A 72 23.282 34.776 24.826 1.00 0.00 H new ATOM 0 HH12 ARG A 72 23.531 35.504 26.416 1.00 0.00 H new ATOM 0 HH21 ARG A 72 26.749 34.188 26.788 1.00 0.00 H new ATOM 0 HH22 ARG A 72 25.477 35.174 27.517 1.00 0.00 H new