USER MOD reduce.3.24.130724 H: found=0, std=0, add=630, rem=0, adj=19 USER MOD reduce.3.24.130724 removed 629 hydrogens (0 hets) USER MOD ----------------------------------------------------------------- USER MOD scores for adjustable sidechains, with "set" totals for H,N and Q USER MOD "o" means original, "f" means flipped, "180deg" is methyl default USER MOD "!" flags a clash with an overlap of 0.40A or greater USER MOD flip categories: "K"=keep, "C"=clashes, "X"=uncertain, "F"=flip USER MOD Set 1.1: A 6 LYS NZ :NH3+ -119:sc= 1.41 (180deg=0.435) USER MOD Set 1.2: A 12 THR OG1 : rot 180:sc= 0.684 USER MOD Set 2.1: A 7 THR OG1 : rot 180:sc= 0.0731 USER MOD Set 2.2: A 9 THR OG1 : rot 180:sc= 0.0119 USER MOD Single : A 1 MET CE :methyl -147:sc= 0 (180deg=-0.0766) USER MOD Single : A 1 MET N :NH3+ 174:sc= 1.08 (180deg=1.06) USER MOD Single : A 2 GLN : amide:sc= 0 X(o=0,f=-0.26) USER MOD Single : A 11 LYS NZ :NH3+ 179:sc= 1.25 (180deg=1.23) USER MOD Single : A 14 THR OG1 : rot 180:sc= 0 USER MOD Single : A 20 SER OG : rot 180:sc= 0 USER MOD Single : A 22 THR OG1 : rot 180:sc= 0.249 USER MOD Single : A 25 ASN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 27 LYS NZ :NH3+ -166:sc= 2.44 (180deg=2.28) USER MOD Single : A 29 LYS NZ :NH3+ 170:sc= 0.694 (180deg=0.629) USER MOD Single : A 31 GLN : amide:sc= -0.464 K(o=-0.46,f=-1) USER MOD Single : A 33 LYS NZ :NH3+ -179:sc= 0 (180deg=-0.0018) USER MOD Single : A 40 GLN : amide:sc= 1.02 K(o=1,f=-0.37) USER MOD Single : A 41 GLN : amide:sc= 1.65 K(o=1.7,f=-3.2!) USER MOD Single : A 48 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 49 GLN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 55 THR OG1 : rot -32:sc= 1.25 USER MOD Single : A 57 SER OG : rot 63:sc= 1.25 USER MOD Single : A 59 TYR OH : rot 50:sc= 0.608 USER MOD Single : A 60 ASN : amide:sc= 0 X(o=0,f=-0.026) USER MOD Single : A 62 GLN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 63 LYS NZ :NH3+ -172:sc= 1.27 (180deg=1.2) USER MOD Single : A 65 SER OG : rot -130:sc= 0.518 USER MOD Single : A 66 THR OG1 : rot 180:sc= 0 USER MOD Single : A 68 HIS : no HD1:sc= 0 X(o=0,f=0) USER MOD ----------------------------------------------------------------- ATOM 1 N MET A 1 33.050 51.859 19.589 1.00 0.00 N ATOM 2 CA MET A 1 33.161 52.049 21.043 1.00 0.00 C ATOM 3 C MET A 1 34.621 52.307 21.423 1.00 0.00 C ATOM 4 O MET A 1 35.517 51.753 20.791 1.00 0.00 O ATOM 5 CB MET A 1 32.578 50.852 21.788 1.00 0.00 C ATOM 6 CG MET A 1 32.358 51.154 23.267 1.00 0.00 C ATOM 7 SD MET A 1 31.474 49.857 24.169 1.00 0.00 S ATOM 8 CE MET A 1 29.795 50.140 23.556 1.00 0.00 C ATOM 0 H1 MET A 1 32.076 51.584 19.348 1.00 0.00 H new ATOM 0 H2 MET A 1 33.289 52.747 19.104 1.00 0.00 H new ATOM 0 H3 MET A 1 33.706 51.111 19.286 1.00 0.00 H new ATOM 0 HA MET A 1 32.579 52.922 21.338 1.00 0.00 H new ATOM 0 HB2 MET A 1 31.630 50.566 21.331 1.00 0.00 H new ATOM 0 HB3 MET A 1 33.250 50.000 21.688 1.00 0.00 H new ATOM 0 HG2 MET A 1 33.326 51.314 23.741 1.00 0.00 H new ATOM 0 HG3 MET A 1 31.801 52.087 23.356 1.00 0.00 H new ATOM 0 HE1 MET A 1 29.076 49.903 24.341 1.00 0.00 H new ATOM 0 HE2 MET A 1 29.685 51.185 23.266 1.00 0.00 H new ATOM 0 HE3 MET A 1 29.611 49.502 22.691 1.00 0.00 H new ATOM 20 N GLN A 2 34.892 53.124 22.438 1.00 0.00 N ATOM 21 CA GLN A 2 36.245 53.412 22.868 1.00 0.00 C ATOM 22 C GLN A 2 36.824 52.342 23.797 1.00 0.00 C ATOM 23 O GLN A 2 36.112 51.792 24.633 1.00 0.00 O ATOM 24 CB GLN A 2 36.322 54.792 23.515 1.00 0.00 C ATOM 25 CG GLN A 2 36.292 55.920 22.488 1.00 0.00 C ATOM 26 CD GLN A 2 36.522 57.299 23.110 1.00 0.00 C ATOM 27 OE1 GLN A 2 36.265 57.547 24.287 1.00 0.00 O ATOM 28 NE2 GLN A 2 37.005 58.270 22.340 1.00 0.00 N ATOM 0 H GLN A 2 34.174 53.602 22.982 1.00 0.00 H new ATOM 0 HA GLN A 2 36.863 53.404 21.970 1.00 0.00 H new ATOM 0 HB2 GLN A 2 35.489 54.913 24.207 1.00 0.00 H new ATOM 0 HB3 GLN A 2 37.237 54.864 24.103 1.00 0.00 H new ATOM 0 HG2 GLN A 2 37.055 55.736 21.732 1.00 0.00 H new ATOM 0 HG3 GLN A 2 35.329 55.914 21.977 1.00 0.00 H new ATOM 0 HE21 GLN A 2 37.224 58.084 21.361 1.00 0.00 H new ATOM 0 HE22 GLN A 2 37.156 59.201 22.728 1.00 0.00 H new ATOM 37 N ILE A 3 38.130 52.112 23.692 1.00 0.00 N ATOM 38 CA ILE A 3 38.966 51.495 24.703 1.00 0.00 C ATOM 39 C ILE A 3 40.222 52.341 24.918 1.00 0.00 C ATOM 40 O ILE A 3 40.576 53.155 24.067 1.00 0.00 O ATOM 41 CB ILE A 3 39.344 50.053 24.378 1.00 0.00 C ATOM 42 CG1 ILE A 3 40.120 49.920 23.070 1.00 0.00 C ATOM 43 CG2 ILE A 3 38.114 49.149 24.416 1.00 0.00 C ATOM 44 CD1 ILE A 3 40.694 48.532 22.806 1.00 0.00 C ATOM 0 H ILE A 3 38.655 52.366 22.855 1.00 0.00 H new ATOM 0 HA ILE A 3 38.379 51.455 25.621 1.00 0.00 H new ATOM 0 HB ILE A 3 40.030 49.718 25.157 1.00 0.00 H new ATOM 0 HG12 ILE A 3 39.461 50.189 22.244 1.00 0.00 H new ATOM 0 HG13 ILE A 3 40.937 50.641 23.074 1.00 0.00 H new ATOM 0 HG21 ILE A 3 38.407 48.126 24.181 1.00 0.00 H new ATOM 0 HG22 ILE A 3 37.670 49.180 25.411 1.00 0.00 H new ATOM 0 HG23 ILE A 3 37.385 49.495 23.683 1.00 0.00 H new ATOM 0 HD11 ILE A 3 41.228 48.534 21.856 1.00 0.00 H new ATOM 0 HD12 ILE A 3 41.382 48.264 23.608 1.00 0.00 H new ATOM 0 HD13 ILE A 3 39.883 47.805 22.765 1.00 0.00 H new ATOM 56 N PHE A 4 40.939 52.093 26.010 1.00 0.00 N ATOM 57 CA PHE A 4 42.267 52.623 26.239 1.00 0.00 C ATOM 58 C PHE A 4 43.308 51.500 26.256 1.00 0.00 C ATOM 59 O PHE A 4 43.026 50.393 26.711 1.00 0.00 O ATOM 60 CB PHE A 4 42.318 53.426 27.535 1.00 0.00 C ATOM 61 CG PHE A 4 41.220 54.446 27.724 1.00 0.00 C ATOM 62 CD1 PHE A 4 41.035 55.481 26.801 1.00 0.00 C ATOM 63 CD2 PHE A 4 40.370 54.353 28.833 1.00 0.00 C ATOM 64 CE1 PHE A 4 40.002 56.410 26.976 1.00 0.00 C ATOM 65 CE2 PHE A 4 39.345 55.288 29.018 1.00 0.00 C ATOM 66 CZ PHE A 4 39.149 56.310 28.082 1.00 0.00 C ATOM 0 H PHE A 4 40.601 51.505 26.772 1.00 0.00 H new ATOM 0 HA PHE A 4 42.506 53.295 25.415 1.00 0.00 H new ATOM 0 HB2 PHE A 4 42.288 52.729 28.373 1.00 0.00 H new ATOM 0 HB3 PHE A 4 43.278 53.941 27.583 1.00 0.00 H new ATOM 0 HD1 PHE A 4 41.693 55.564 25.948 1.00 0.00 H new ATOM 0 HD2 PHE A 4 40.506 53.556 29.549 1.00 0.00 H new ATOM 0 HE1 PHE A 4 39.863 57.204 26.257 1.00 0.00 H new ATOM 0 HE2 PHE A 4 38.704 55.221 29.885 1.00 0.00 H new ATOM 0 HZ PHE A 4 38.344 57.018 28.212 1.00 0.00 H new ATOM 76 N VAL A 5 44.525 51.797 25.811 1.00 0.00 N ATOM 77 CA VAL A 5 45.679 50.925 25.885 1.00 0.00 C ATOM 78 C VAL A 5 46.801 51.630 26.649 1.00 0.00 C ATOM 79 O VAL A 5 47.175 52.746 26.294 1.00 0.00 O ATOM 80 CB VAL A 5 46.144 50.481 24.501 1.00 0.00 C ATOM 81 CG1 VAL A 5 47.307 49.497 24.597 1.00 0.00 C ATOM 82 CG2 VAL A 5 45.025 49.794 23.724 1.00 0.00 C ATOM 0 H VAL A 5 44.737 52.692 25.371 1.00 0.00 H new ATOM 0 HA VAL A 5 45.396 50.020 26.423 1.00 0.00 H new ATOM 0 HB VAL A 5 46.455 51.387 23.982 1.00 0.00 H new ATOM 0 HG11 VAL A 5 47.615 49.199 23.595 1.00 0.00 H new ATOM 0 HG12 VAL A 5 48.144 49.972 25.108 1.00 0.00 H new ATOM 0 HG13 VAL A 5 46.993 48.616 25.157 1.00 0.00 H new ATOM 0 HG21 VAL A 5 45.395 49.492 22.744 1.00 0.00 H new ATOM 0 HG22 VAL A 5 44.689 48.914 24.272 1.00 0.00 H new ATOM 0 HG23 VAL A 5 44.191 50.485 23.600 1.00 0.00 H new ATOM 92 N LYS A 6 47.322 50.981 27.687 1.00 0.00 N ATOM 93 CA LYS A 6 48.440 51.435 28.488 1.00 0.00 C ATOM 94 C LYS A 6 49.705 50.627 28.193 1.00 0.00 C ATOM 95 O LYS A 6 49.724 49.417 28.410 1.00 0.00 O ATOM 96 CB LYS A 6 48.090 51.382 29.972 1.00 0.00 C ATOM 97 CG LYS A 6 47.055 52.411 30.416 1.00 0.00 C ATOM 98 CD LYS A 6 47.542 53.857 30.454 1.00 0.00 C ATOM 99 CE LYS A 6 48.532 54.118 31.585 1.00 0.00 C ATOM 100 NZ LYS A 6 48.906 55.539 31.649 1.00 0.00 N ATOM 0 H LYS A 6 46.954 50.083 28.002 1.00 0.00 H new ATOM 0 HA LYS A 6 48.646 52.471 28.220 1.00 0.00 H new ATOM 0 HB2 LYS A 6 47.717 50.385 30.209 1.00 0.00 H new ATOM 0 HB3 LYS A 6 49.001 51.528 30.552 1.00 0.00 H new ATOM 0 HG2 LYS A 6 46.198 52.352 29.745 1.00 0.00 H new ATOM 0 HG3 LYS A 6 46.701 52.139 31.410 1.00 0.00 H new ATOM 0 HD2 LYS A 6 48.012 54.102 29.502 1.00 0.00 H new ATOM 0 HD3 LYS A 6 46.685 54.521 30.567 1.00 0.00 H new ATOM 0 HE2 LYS A 6 48.092 53.812 32.534 1.00 0.00 H new ATOM 0 HE3 LYS A 6 49.425 53.511 31.437 1.00 0.00 H new ATOM 0 HZ1 LYS A 6 49.930 55.636 31.497 1.00 0.00 H new ATOM 0 HZ2 LYS A 6 48.396 56.066 30.912 1.00 0.00 H new ATOM 0 HZ3 LYS A 6 48.657 55.922 32.583 1.00 0.00 H new ATOM 114 N THR A 7 50.758 51.291 27.724 1.00 0.00 N ATOM 115 CA THR A 7 52.048 50.681 27.474 1.00 0.00 C ATOM 116 C THR A 7 52.871 50.539 28.756 1.00 0.00 C ATOM 117 O THR A 7 52.568 51.178 29.761 1.00 0.00 O ATOM 118 CB THR A 7 52.836 51.428 26.401 1.00 0.00 C ATOM 119 OG1 THR A 7 53.346 52.642 26.905 1.00 0.00 O ATOM 120 CG2 THR A 7 51.991 51.740 25.169 1.00 0.00 C ATOM 0 H THR A 7 50.732 52.287 27.505 1.00 0.00 H new ATOM 0 HA THR A 7 51.847 49.678 27.097 1.00 0.00 H new ATOM 0 HB THR A 7 53.651 50.765 26.110 1.00 0.00 H new ATOM 0 HG1 THR A 7 53.849 53.103 26.201 1.00 0.00 H new ATOM 0 HG21 THR A 7 52.598 52.272 24.436 1.00 0.00 H new ATOM 0 HG22 THR A 7 51.627 50.810 24.732 1.00 0.00 H new ATOM 0 HG23 THR A 7 51.143 52.362 25.457 1.00 0.00 H new ATOM 128 N LEU A 8 53.916 49.716 28.746 1.00 0.00 N ATOM 129 CA LEU A 8 54.780 49.519 29.893 1.00 0.00 C ATOM 130 C LEU A 8 55.485 50.799 30.348 1.00 0.00 C ATOM 131 O LEU A 8 55.723 50.963 31.542 1.00 0.00 O ATOM 132 CB LEU A 8 55.819 48.443 29.592 1.00 0.00 C ATOM 133 CG LEU A 8 55.339 47.001 29.728 1.00 0.00 C ATOM 134 CD1 LEU A 8 56.434 46.055 29.243 1.00 0.00 C ATOM 135 CD2 LEU A 8 55.020 46.634 31.173 1.00 0.00 C ATOM 0 H LEU A 8 54.184 49.165 27.931 1.00 0.00 H new ATOM 0 HA LEU A 8 54.134 49.203 30.712 1.00 0.00 H new ATOM 0 HB2 LEU A 8 56.183 48.591 28.575 1.00 0.00 H new ATOM 0 HB3 LEU A 8 56.669 48.588 30.259 1.00 0.00 H new ATOM 0 HG LEU A 8 54.431 46.908 29.131 1.00 0.00 H new ATOM 0 HD11 LEU A 8 56.093 45.024 29.339 1.00 0.00 H new ATOM 0 HD12 LEU A 8 56.661 46.266 28.198 1.00 0.00 H new ATOM 0 HD13 LEU A 8 57.331 46.198 29.845 1.00 0.00 H new ATOM 0 HD21 LEU A 8 54.682 45.599 31.219 1.00 0.00 H new ATOM 0 HD22 LEU A 8 55.915 46.752 31.784 1.00 0.00 H new ATOM 0 HD23 LEU A 8 54.234 47.289 31.550 1.00 0.00 H new ATOM 147 N THR A 9 55.783 51.722 29.438 1.00 0.00 N ATOM 148 CA THR A 9 56.336 53.031 29.721 1.00 0.00 C ATOM 149 C THR A 9 55.270 54.103 29.956 1.00 0.00 C ATOM 150 O THR A 9 55.563 55.296 29.966 1.00 0.00 O ATOM 151 CB THR A 9 57.355 53.437 28.661 1.00 0.00 C ATOM 152 OG1 THR A 9 56.826 53.252 27.367 1.00 0.00 O ATOM 153 CG2 THR A 9 58.620 52.587 28.745 1.00 0.00 C ATOM 0 H THR A 9 55.637 51.565 28.441 1.00 0.00 H new ATOM 0 HA THR A 9 56.865 52.949 30.671 1.00 0.00 H new ATOM 0 HB THR A 9 57.591 54.485 28.845 1.00 0.00 H new ATOM 0 HG1 THR A 9 57.492 53.519 26.700 1.00 0.00 H new ATOM 0 HG21 THR A 9 59.323 52.904 27.975 1.00 0.00 H new ATOM 0 HG22 THR A 9 59.077 52.711 29.727 1.00 0.00 H new ATOM 0 HG23 THR A 9 58.364 51.538 28.593 1.00 0.00 H new ATOM 161 N GLY A 10 54.028 53.697 30.205 1.00 0.00 N ATOM 162 CA GLY A 10 52.969 54.527 30.743 1.00 0.00 C ATOM 163 C GLY A 10 52.160 55.339 29.730 1.00 0.00 C ATOM 164 O GLY A 10 51.274 56.083 30.146 1.00 0.00 O ATOM 0 H GLY A 10 53.725 52.739 30.028 1.00 0.00 H new ATOM 0 HA2 GLY A 10 52.281 53.887 31.296 1.00 0.00 H new ATOM 0 HA3 GLY A 10 53.409 55.218 31.462 1.00 0.00 H new ATOM 168 N LYS A 11 52.419 55.196 28.434 1.00 0.00 N ATOM 169 CA LYS A 11 51.738 55.932 27.387 1.00 0.00 C ATOM 170 C LYS A 11 50.296 55.450 27.229 1.00 0.00 C ATOM 171 O LYS A 11 50.041 54.252 27.329 1.00 0.00 O ATOM 172 CB LYS A 11 52.542 55.820 26.094 1.00 0.00 C ATOM 173 CG LYS A 11 52.110 56.796 25.004 1.00 0.00 C ATOM 174 CD LYS A 11 53.069 56.718 23.819 1.00 0.00 C ATOM 175 CE LYS A 11 52.823 57.795 22.767 1.00 0.00 C ATOM 176 NZ LYS A 11 51.529 57.645 22.083 1.00 0.00 N ATOM 0 H LYS A 11 53.124 54.550 28.080 1.00 0.00 H new ATOM 0 HA LYS A 11 51.676 56.987 27.655 1.00 0.00 H new ATOM 0 HB2 LYS A 11 53.596 55.986 26.319 1.00 0.00 H new ATOM 0 HB3 LYS A 11 52.454 54.803 25.711 1.00 0.00 H new ATOM 0 HG2 LYS A 11 51.097 56.563 24.677 1.00 0.00 H new ATOM 0 HG3 LYS A 11 52.092 57.811 25.401 1.00 0.00 H new ATOM 0 HD2 LYS A 11 54.093 56.804 24.184 1.00 0.00 H new ATOM 0 HD3 LYS A 11 52.978 55.737 23.352 1.00 0.00 H new ATOM 0 HE2 LYS A 11 52.865 58.775 23.242 1.00 0.00 H new ATOM 0 HE3 LYS A 11 53.624 57.764 22.028 1.00 0.00 H new ATOM 0 HZ1 LYS A 11 51.410 58.414 21.392 1.00 0.00 H new ATOM 0 HZ2 LYS A 11 51.501 56.730 21.590 1.00 0.00 H new ATOM 0 HZ3 LYS A 11 50.760 57.686 22.782 1.00 0.00 H new ATOM 190 N THR A 12 49.369 56.370 26.975 1.00 0.00 N ATOM 191 CA THR A 12 47.942 56.126 26.930 1.00 0.00 C ATOM 192 C THR A 12 47.374 56.390 25.533 1.00 0.00 C ATOM 193 O THR A 12 47.396 57.520 25.050 1.00 0.00 O ATOM 194 CB THR A 12 47.220 56.969 27.977 1.00 0.00 C ATOM 195 OG1 THR A 12 47.832 56.803 29.236 1.00 0.00 O ATOM 196 CG2 THR A 12 45.762 56.557 28.153 1.00 0.00 C ATOM 0 H THR A 12 49.608 57.344 26.788 1.00 0.00 H new ATOM 0 HA THR A 12 47.776 55.074 27.160 1.00 0.00 H new ATOM 0 HB THR A 12 47.273 57.999 27.624 1.00 0.00 H new ATOM 0 HG1 THR A 12 47.364 57.349 29.902 1.00 0.00 H new ATOM 0 HG21 THR A 12 45.294 57.188 28.909 1.00 0.00 H new ATOM 0 HG22 THR A 12 45.234 56.673 27.206 1.00 0.00 H new ATOM 0 HG23 THR A 12 45.714 55.515 28.470 1.00 0.00 H new ATOM 204 N ILE A 13 46.873 55.346 24.880 1.00 0.00 N ATOM 205 CA ILE A 13 46.355 55.375 23.527 1.00 0.00 C ATOM 206 C ILE A 13 44.863 55.035 23.540 1.00 0.00 C ATOM 207 O ILE A 13 44.486 53.982 24.050 1.00 0.00 O ATOM 208 CB ILE A 13 47.152 54.448 22.614 1.00 0.00 C ATOM 209 CG1 ILE A 13 48.639 54.787 22.563 1.00 0.00 C ATOM 210 CG2 ILE A 13 46.609 54.509 21.189 1.00 0.00 C ATOM 211 CD1 ILE A 13 49.502 54.003 23.547 1.00 0.00 C ATOM 0 H ILE A 13 46.817 54.419 25.302 1.00 0.00 H new ATOM 0 HA ILE A 13 46.468 56.380 23.120 1.00 0.00 H new ATOM 0 HB ILE A 13 47.041 53.450 23.037 1.00 0.00 H new ATOM 0 HG12 ILE A 13 49.006 54.605 21.553 1.00 0.00 H new ATOM 0 HG13 ILE A 13 48.763 55.852 22.760 1.00 0.00 H new ATOM 0 HG21 ILE A 13 47.188 53.842 20.550 1.00 0.00 H new ATOM 0 HG22 ILE A 13 45.564 54.199 21.184 1.00 0.00 H new ATOM 0 HG23 ILE A 13 46.687 55.529 20.813 1.00 0.00 H new ATOM 0 HD11 ILE A 13 50.543 54.308 23.441 1.00 0.00 H new ATOM 0 HD12 ILE A 13 49.167 54.203 24.565 1.00 0.00 H new ATOM 0 HD13 ILE A 13 49.414 52.937 23.339 1.00 0.00 H new ATOM 223 N THR A 14 44.024 55.890 22.963 1.00 0.00 N ATOM 224 CA THR A 14 42.611 55.631 22.769 1.00 0.00 C ATOM 225 C THR A 14 42.372 54.968 21.410 1.00 0.00 C ATOM 226 O THR A 14 42.879 55.457 20.403 1.00 0.00 O ATOM 227 CB THR A 14 41.781 56.909 22.858 1.00 0.00 C ATOM 228 OG1 THR A 14 42.088 57.634 24.028 1.00 0.00 O ATOM 229 CG2 THR A 14 40.280 56.640 22.911 1.00 0.00 C ATOM 0 H THR A 14 44.319 56.801 22.611 1.00 0.00 H new ATOM 0 HA THR A 14 42.295 54.961 23.569 1.00 0.00 H new ATOM 0 HB THR A 14 42.030 57.468 21.956 1.00 0.00 H new ATOM 0 HG1 THR A 14 41.544 58.449 24.060 1.00 0.00 H new ATOM 0 HG21 THR A 14 39.743 57.586 22.974 1.00 0.00 H new ATOM 0 HG22 THR A 14 39.974 56.108 22.010 1.00 0.00 H new ATOM 0 HG23 THR A 14 40.050 56.033 23.787 1.00 0.00 H new ATOM 237 N LEU A 15 41.589 53.893 21.371 1.00 0.00 N ATOM 238 CA LEU A 15 41.206 53.203 20.156 1.00 0.00 C ATOM 239 C LEU A 15 39.685 53.138 19.997 1.00 0.00 C ATOM 240 O LEU A 15 38.974 52.981 20.987 1.00 0.00 O ATOM 241 CB LEU A 15 41.810 51.802 20.115 1.00 0.00 C ATOM 242 CG LEU A 15 43.326 51.709 20.262 1.00 0.00 C ATOM 243 CD1 LEU A 15 43.756 50.244 20.269 1.00 0.00 C ATOM 244 CD2 LEU A 15 44.073 52.386 19.117 1.00 0.00 C ATOM 0 H LEU A 15 41.195 53.471 22.212 1.00 0.00 H new ATOM 0 HA LEU A 15 41.601 53.777 19.318 1.00 0.00 H new ATOM 0 HB2 LEU A 15 41.353 51.210 20.909 1.00 0.00 H new ATOM 0 HB3 LEU A 15 41.530 51.337 19.170 1.00 0.00 H new ATOM 0 HG LEU A 15 43.572 52.213 21.196 1.00 0.00 H new ATOM 0 HD11 LEU A 15 44.839 50.183 20.374 1.00 0.00 H new ATOM 0 HD12 LEU A 15 43.281 49.729 21.104 1.00 0.00 H new ATOM 0 HD13 LEU A 15 43.455 49.772 19.334 1.00 0.00 H new ATOM 0 HD21 LEU A 15 45.147 52.288 19.275 1.00 0.00 H new ATOM 0 HD22 LEU A 15 43.800 51.912 18.174 1.00 0.00 H new ATOM 0 HD23 LEU A 15 43.806 53.442 19.083 1.00 0.00 H new ATOM 256 N GLU A 16 39.201 53.194 18.761 1.00 0.00 N ATOM 257 CA GLU A 16 37.808 53.046 18.387 1.00 0.00 C ATOM 258 C GLU A 16 37.587 51.679 17.738 1.00 0.00 C ATOM 259 O GLU A 16 38.079 51.403 16.645 1.00 0.00 O ATOM 260 CB GLU A 16 37.393 54.223 17.510 1.00 0.00 C ATOM 261 CG GLU A 16 36.074 54.099 16.754 1.00 0.00 C ATOM 262 CD GLU A 16 34.849 53.765 17.610 1.00 0.00 C ATOM 263 OE1 GLU A 16 33.994 52.984 17.141 1.00 0.00 O ATOM 264 OE2 GLU A 16 34.682 54.286 18.733 1.00 0.00 O ATOM 0 H GLU A 16 39.805 53.352 17.955 1.00 0.00 H new ATOM 0 HA GLU A 16 37.163 53.070 19.265 1.00 0.00 H new ATOM 0 HB2 GLU A 16 37.339 55.111 18.140 1.00 0.00 H new ATOM 0 HB3 GLU A 16 38.185 54.397 16.781 1.00 0.00 H new ATOM 0 HG2 GLU A 16 35.885 55.037 16.232 1.00 0.00 H new ATOM 0 HG3 GLU A 16 36.184 53.327 15.992 1.00 0.00 H new ATOM 271 N VAL A 17 36.864 50.814 18.443 1.00 0.00 N ATOM 272 CA VAL A 17 36.721 49.393 18.195 1.00 0.00 C ATOM 273 C VAL A 17 35.278 48.933 18.406 1.00 0.00 C ATOM 274 O VAL A 17 34.539 49.529 19.188 1.00 0.00 O ATOM 275 CB VAL A 17 37.653 48.596 19.104 1.00 0.00 C ATOM 276 CG1 VAL A 17 39.121 48.928 18.860 1.00 0.00 C ATOM 277 CG2 VAL A 17 37.384 48.822 20.590 1.00 0.00 C ATOM 0 H VAL A 17 36.328 51.114 19.257 1.00 0.00 H new ATOM 0 HA VAL A 17 36.991 49.212 17.155 1.00 0.00 H new ATOM 0 HB VAL A 17 37.447 47.556 18.849 1.00 0.00 H new ATOM 0 HG11 VAL A 17 39.744 48.336 19.530 1.00 0.00 H new ATOM 0 HG12 VAL A 17 39.379 48.698 17.826 1.00 0.00 H new ATOM 0 HG13 VAL A 17 39.291 49.988 19.049 1.00 0.00 H new ATOM 0 HG21 VAL A 17 38.080 48.227 21.180 1.00 0.00 H new ATOM 0 HG22 VAL A 17 37.517 49.877 20.827 1.00 0.00 H new ATOM 0 HG23 VAL A 17 36.362 48.523 20.824 1.00 0.00 H new ATOM 287 N GLU A 18 34.861 47.848 17.759 1.00 0.00 N ATOM 288 CA GLU A 18 33.573 47.226 17.993 1.00 0.00 C ATOM 289 C GLU A 18 33.688 46.040 18.953 1.00 0.00 C ATOM 290 O GLU A 18 34.696 45.338 18.914 1.00 0.00 O ATOM 291 CB GLU A 18 32.912 46.796 16.687 1.00 0.00 C ATOM 292 CG GLU A 18 32.732 47.960 15.717 1.00 0.00 C ATOM 293 CD GLU A 18 31.776 47.628 14.569 1.00 0.00 C ATOM 294 OE1 GLU A 18 30.836 48.412 14.317 1.00 0.00 O ATOM 295 OE2 GLU A 18 31.990 46.618 13.865 1.00 0.00 O ATOM 0 H GLU A 18 35.420 47.374 17.049 1.00 0.00 H new ATOM 0 HA GLU A 18 32.937 47.978 18.460 1.00 0.00 H new ATOM 0 HB2 GLU A 18 33.517 46.022 16.214 1.00 0.00 H new ATOM 0 HB3 GLU A 18 31.940 46.353 16.903 1.00 0.00 H new ATOM 0 HG2 GLU A 18 32.354 48.826 16.261 1.00 0.00 H new ATOM 0 HG3 GLU A 18 33.702 48.240 15.307 1.00 0.00 H new ATOM 302 N PRO A 19 32.672 45.725 19.753 1.00 0.00 N ATOM 303 CA PRO A 19 32.705 44.603 20.669 1.00 0.00 C ATOM 304 C PRO A 19 32.951 43.227 20.048 1.00 0.00 C ATOM 305 O PRO A 19 33.267 42.281 20.766 1.00 0.00 O ATOM 306 CB PRO A 19 31.358 44.617 21.384 1.00 0.00 C ATOM 307 CG PRO A 19 30.939 46.084 21.334 1.00 0.00 C ATOM 308 CD PRO A 19 31.488 46.528 19.981 1.00 0.00 C ATOM 0 HA PRO A 19 33.565 44.737 21.326 1.00 0.00 H new ATOM 0 HB2 PRO A 19 30.632 43.976 20.884 1.00 0.00 H new ATOM 0 HB3 PRO A 19 31.445 44.260 22.410 1.00 0.00 H new ATOM 0 HG2 PRO A 19 29.857 46.201 21.393 1.00 0.00 H new ATOM 0 HG3 PRO A 19 31.367 46.658 22.156 1.00 0.00 H new ATOM 0 HD2 PRO A 19 30.753 46.374 19.191 1.00 0.00 H new ATOM 0 HD3 PRO A 19 31.731 47.590 19.987 1.00 0.00 H new ATOM 316 N SER A 20 32.808 43.104 18.732 1.00 0.00 N ATOM 317 CA SER A 20 33.032 41.898 17.960 1.00 0.00 C ATOM 318 C SER A 20 34.141 42.017 16.913 1.00 0.00 C ATOM 319 O SER A 20 34.287 41.117 16.088 1.00 0.00 O ATOM 320 CB SER A 20 31.716 41.401 17.366 1.00 0.00 C ATOM 321 OG SER A 20 30.899 40.914 18.405 1.00 0.00 O ATOM 0 H SER A 20 32.517 43.889 18.149 1.00 0.00 H new ATOM 0 HA SER A 20 33.407 41.147 18.655 1.00 0.00 H new ATOM 0 HB2 SER A 20 31.212 42.210 16.838 1.00 0.00 H new ATOM 0 HB3 SER A 20 31.906 40.614 16.636 1.00 0.00 H new ATOM 0 HG SER A 20 30.051 40.594 18.032 1.00 0.00 H new ATOM 327 N ASP A 21 34.965 43.060 16.952 1.00 0.00 N ATOM 328 CA ASP A 21 36.254 43.050 16.291 1.00 0.00 C ATOM 329 C ASP A 21 37.181 42.032 16.958 1.00 0.00 C ATOM 330 O ASP A 21 37.022 41.714 18.135 1.00 0.00 O ATOM 331 CB ASP A 21 36.894 44.435 16.307 1.00 0.00 C ATOM 332 CG ASP A 21 36.209 45.475 15.418 1.00 0.00 C ATOM 333 OD1 ASP A 21 35.554 45.119 14.415 1.00 0.00 O ATOM 334 OD2 ASP A 21 36.408 46.681 15.680 1.00 0.00 O ATOM 0 H ASP A 21 34.754 43.929 17.442 1.00 0.00 H new ATOM 0 HA ASP A 21 36.098 42.763 15.251 1.00 0.00 H new ATOM 0 HB2 ASP A 21 36.900 44.804 17.333 1.00 0.00 H new ATOM 0 HB3 ASP A 21 37.934 44.341 15.995 1.00 0.00 H new ATOM 339 N THR A 22 38.146 41.492 16.217 1.00 0.00 N ATOM 340 CA THR A 22 39.123 40.562 16.746 1.00 0.00 C ATOM 341 C THR A 22 40.307 41.266 17.412 1.00 0.00 C ATOM 342 O THR A 22 40.656 42.394 17.075 1.00 0.00 O ATOM 343 CB THR A 22 39.648 39.587 15.696 1.00 0.00 C ATOM 344 OG1 THR A 22 40.308 40.290 14.666 1.00 0.00 O ATOM 345 CG2 THR A 22 38.546 38.720 15.093 1.00 0.00 C ATOM 0 H THR A 22 38.267 41.694 15.225 1.00 0.00 H new ATOM 0 HA THR A 22 38.580 39.995 17.502 1.00 0.00 H new ATOM 0 HB THR A 22 40.346 38.923 16.206 1.00 0.00 H new ATOM 0 HG1 THR A 22 40.642 39.655 13.999 1.00 0.00 H new ATOM 0 HG21 THR A 22 38.977 38.046 14.353 1.00 0.00 H new ATOM 0 HG22 THR A 22 38.070 38.137 15.881 1.00 0.00 H new ATOM 0 HG23 THR A 22 37.803 39.357 14.614 1.00 0.00 H new ATOM 353 N ILE A 23 41.002 40.560 18.301 1.00 0.00 N ATOM 354 CA ILE A 23 42.273 40.998 18.839 1.00 0.00 C ATOM 355 C ILE A 23 43.296 41.214 17.723 1.00 0.00 C ATOM 356 O ILE A 23 44.032 42.198 17.764 1.00 0.00 O ATOM 357 CB ILE A 23 42.747 40.005 19.897 1.00 0.00 C ATOM 358 CG1 ILE A 23 41.822 39.925 21.109 1.00 0.00 C ATOM 359 CG2 ILE A 23 44.179 40.271 20.351 1.00 0.00 C ATOM 360 CD1 ILE A 23 41.599 41.220 21.884 1.00 0.00 C ATOM 0 H ILE A 23 40.690 39.661 18.667 1.00 0.00 H new ATOM 0 HA ILE A 23 42.152 41.966 19.326 1.00 0.00 H new ATOM 0 HB ILE A 23 42.719 39.037 19.398 1.00 0.00 H new ATOM 0 HG12 ILE A 23 40.852 39.557 20.774 1.00 0.00 H new ATOM 0 HG13 ILE A 23 42.225 39.181 21.797 1.00 0.00 H new ATOM 0 HG21 ILE A 23 44.465 39.536 21.103 1.00 0.00 H new ATOM 0 HG22 ILE A 23 44.852 40.196 19.496 1.00 0.00 H new ATOM 0 HG23 ILE A 23 44.245 41.272 20.778 1.00 0.00 H new ATOM 0 HD11 ILE A 23 40.925 41.032 22.720 1.00 0.00 H new ATOM 0 HD12 ILE A 23 42.553 41.586 22.263 1.00 0.00 H new ATOM 0 HD13 ILE A 23 41.159 41.968 21.224 1.00 0.00 H new ATOM 372 N GLU A 24 43.302 40.389 16.679 1.00 0.00 N ATOM 373 CA GLU A 24 44.143 40.580 15.514 1.00 0.00 C ATOM 374 C GLU A 24 43.893 41.913 14.806 1.00 0.00 C ATOM 375 O GLU A 24 44.840 42.615 14.457 1.00 0.00 O ATOM 376 CB GLU A 24 43.932 39.408 14.559 1.00 0.00 C ATOM 377 CG GLU A 24 44.899 39.358 13.380 1.00 0.00 C ATOM 378 CD GLU A 24 46.281 38.837 13.780 1.00 0.00 C ATOM 379 OE1 GLU A 24 46.679 37.773 13.257 1.00 0.00 O ATOM 380 OE2 GLU A 24 46.976 39.487 14.590 1.00 0.00 O ATOM 0 H GLU A 24 42.712 39.559 16.624 1.00 0.00 H new ATOM 0 HA GLU A 24 45.180 40.613 15.849 1.00 0.00 H new ATOM 0 HB2 GLU A 24 44.020 38.479 15.122 1.00 0.00 H new ATOM 0 HB3 GLU A 24 42.913 39.451 14.173 1.00 0.00 H new ATOM 0 HG2 GLU A 24 44.484 38.719 12.601 1.00 0.00 H new ATOM 0 HG3 GLU A 24 45.000 40.356 12.954 1.00 0.00 H new ATOM 387 N ASN A 25 42.632 42.298 14.634 1.00 0.00 N ATOM 388 CA ASN A 25 42.248 43.556 14.024 1.00 0.00 C ATOM 389 C ASN A 25 42.690 44.771 14.843 1.00 0.00 C ATOM 390 O ASN A 25 43.130 45.768 14.276 1.00 0.00 O ATOM 391 CB ASN A 25 40.740 43.509 13.800 1.00 0.00 C ATOM 392 CG ASN A 25 40.214 44.726 13.035 1.00 0.00 C ATOM 393 OD1 ASN A 25 39.539 45.598 13.579 1.00 0.00 O ATOM 394 ND2 ASN A 25 40.489 44.803 11.737 1.00 0.00 N ATOM 0 H ASN A 25 41.836 41.729 14.922 1.00 0.00 H new ATOM 0 HA ASN A 25 42.761 43.679 13.070 1.00 0.00 H new ATOM 0 HB2 ASN A 25 40.488 42.603 13.249 1.00 0.00 H new ATOM 0 HB3 ASN A 25 40.236 43.447 14.765 1.00 0.00 H new ATOM 0 HD21 ASN A 25 40.140 45.588 11.187 1.00 0.00 H new ATOM 0 HD22 ASN A 25 41.049 44.077 11.290 1.00 0.00 H new ATOM 401 N VAL A 26 42.636 44.673 16.168 1.00 0.00 N ATOM 402 CA VAL A 26 43.090 45.710 17.074 1.00 0.00 C ATOM 403 C VAL A 26 44.615 45.791 17.138 1.00 0.00 C ATOM 404 O VAL A 26 45.158 46.893 17.094 1.00 0.00 O ATOM 405 CB VAL A 26 42.458 45.549 18.454 1.00 0.00 C ATOM 406 CG1 VAL A 26 42.918 46.624 19.435 1.00 0.00 C ATOM 407 CG2 VAL A 26 40.937 45.652 18.368 1.00 0.00 C ATOM 0 H VAL A 26 42.267 43.851 16.647 1.00 0.00 H new ATOM 0 HA VAL A 26 42.753 46.666 16.674 1.00 0.00 H new ATOM 0 HB VAL A 26 42.772 44.568 18.809 1.00 0.00 H new ATOM 0 HG11 VAL A 26 42.439 46.464 20.401 1.00 0.00 H new ATOM 0 HG12 VAL A 26 44.000 46.570 19.553 1.00 0.00 H new ATOM 0 HG13 VAL A 26 42.643 47.607 19.053 1.00 0.00 H new ATOM 0 HG21 VAL A 26 40.508 45.534 19.363 1.00 0.00 H new ATOM 0 HG22 VAL A 26 40.660 46.627 17.966 1.00 0.00 H new ATOM 0 HG23 VAL A 26 40.556 44.868 17.713 1.00 0.00 H new ATOM 417 N LYS A 27 45.328 44.667 17.124 1.00 0.00 N ATOM 418 CA LYS A 27 46.772 44.636 17.008 1.00 0.00 C ATOM 419 C LYS A 27 47.270 45.368 15.759 1.00 0.00 C ATOM 420 O LYS A 27 48.274 46.074 15.821 1.00 0.00 O ATOM 421 CB LYS A 27 47.278 43.197 16.972 1.00 0.00 C ATOM 422 CG LYS A 27 47.274 42.452 18.303 1.00 0.00 C ATOM 423 CD LYS A 27 47.435 40.948 18.097 1.00 0.00 C ATOM 424 CE LYS A 27 48.728 40.585 17.372 1.00 0.00 C ATOM 425 NZ LYS A 27 48.666 39.244 16.771 1.00 0.00 N ATOM 0 H LYS A 27 44.906 43.741 17.194 1.00 0.00 H new ATOM 0 HA LYS A 27 47.165 45.149 17.886 1.00 0.00 H new ATOM 0 HB2 LYS A 27 46.669 42.636 16.263 1.00 0.00 H new ATOM 0 HB3 LYS A 27 48.297 43.201 16.584 1.00 0.00 H new ATOM 0 HG2 LYS A 27 48.082 42.824 18.933 1.00 0.00 H new ATOM 0 HG3 LYS A 27 46.341 42.651 18.831 1.00 0.00 H new ATOM 0 HD2 LYS A 27 47.415 40.449 19.066 1.00 0.00 H new ATOM 0 HD3 LYS A 27 46.586 40.571 17.527 1.00 0.00 H new ATOM 0 HE2 LYS A 27 48.926 41.322 16.594 1.00 0.00 H new ATOM 0 HE3 LYS A 27 49.561 40.630 18.073 1.00 0.00 H new ATOM 0 HZ1 LYS A 27 49.623 38.941 16.499 1.00 0.00 H new ATOM 0 HZ2 LYS A 27 48.273 38.572 17.461 1.00 0.00 H new ATOM 0 HZ3 LYS A 27 48.058 39.269 15.927 1.00 0.00 H new ATOM 439 N ALA A 28 46.557 45.258 14.642 1.00 0.00 N ATOM 440 CA ALA A 28 46.902 45.958 13.420 1.00 0.00 C ATOM 441 C ALA A 28 46.747 47.476 13.533 1.00 0.00 C ATOM 442 O ALA A 28 47.606 48.206 13.044 1.00 0.00 O ATOM 443 CB ALA A 28 46.088 45.354 12.278 1.00 0.00 C ATOM 0 H ALA A 28 45.722 44.678 14.564 1.00 0.00 H new ATOM 0 HA ALA A 28 47.963 45.820 13.215 1.00 0.00 H new ATOM 0 HB1 ALA A 28 46.332 45.866 11.347 1.00 0.00 H new ATOM 0 HB2 ALA A 28 46.326 44.295 12.182 1.00 0.00 H new ATOM 0 HB3 ALA A 28 45.025 45.470 12.488 1.00 0.00 H new ATOM 449 N LYS A 29 45.753 47.971 14.267 1.00 0.00 N ATOM 450 CA LYS A 29 45.608 49.376 14.588 1.00 0.00 C ATOM 451 C LYS A 29 46.750 49.884 15.470 1.00 0.00 C ATOM 452 O LYS A 29 47.243 50.992 15.265 1.00 0.00 O ATOM 453 CB LYS A 29 44.259 49.666 15.241 1.00 0.00 C ATOM 454 CG LYS A 29 43.080 49.577 14.277 1.00 0.00 C ATOM 455 CD LYS A 29 41.749 49.815 14.982 1.00 0.00 C ATOM 456 CE LYS A 29 40.637 49.943 13.945 1.00 0.00 C ATOM 457 NZ LYS A 29 39.301 50.003 14.559 1.00 0.00 N ATOM 0 H LYS A 29 45.014 47.388 14.660 1.00 0.00 H new ATOM 0 HA LYS A 29 45.653 49.917 13.643 1.00 0.00 H new ATOM 0 HB2 LYS A 29 44.102 48.963 16.059 1.00 0.00 H new ATOM 0 HB3 LYS A 29 44.284 50.664 15.679 1.00 0.00 H new ATOM 0 HG2 LYS A 29 43.206 50.311 13.481 1.00 0.00 H new ATOM 0 HG3 LYS A 29 43.070 48.594 13.805 1.00 0.00 H new ATOM 0 HD2 LYS A 29 41.533 48.991 15.662 1.00 0.00 H new ATOM 0 HD3 LYS A 29 41.803 50.721 15.586 1.00 0.00 H new ATOM 0 HE2 LYS A 29 40.801 50.841 13.350 1.00 0.00 H new ATOM 0 HE3 LYS A 29 40.682 49.095 13.262 1.00 0.00 H new ATOM 0 HZ1 LYS A 29 38.598 50.258 13.836 1.00 0.00 H new ATOM 0 HZ2 LYS A 29 39.062 49.074 14.962 1.00 0.00 H new ATOM 0 HZ3 LYS A 29 39.297 50.719 15.313 1.00 0.00 H new ATOM 471 N ILE A 30 47.230 49.068 16.403 1.00 0.00 N ATOM 472 CA ILE A 30 48.378 49.377 17.233 1.00 0.00 C ATOM 473 C ILE A 30 49.665 49.446 16.409 1.00 0.00 C ATOM 474 O ILE A 30 50.512 50.288 16.699 1.00 0.00 O ATOM 475 CB ILE A 30 48.450 48.415 18.415 1.00 0.00 C ATOM 476 CG1 ILE A 30 47.246 48.605 19.333 1.00 0.00 C ATOM 477 CG2 ILE A 30 49.740 48.577 19.214 1.00 0.00 C ATOM 478 CD1 ILE A 30 47.032 47.488 20.349 1.00 0.00 C ATOM 0 H ILE A 30 46.820 48.156 16.604 1.00 0.00 H new ATOM 0 HA ILE A 30 48.257 50.375 17.654 1.00 0.00 H new ATOM 0 HB ILE A 30 48.439 47.405 18.004 1.00 0.00 H new ATOM 0 HG12 ILE A 30 47.361 49.547 19.869 1.00 0.00 H new ATOM 0 HG13 ILE A 30 46.350 48.695 18.719 1.00 0.00 H new ATOM 0 HG21 ILE A 30 49.745 47.871 20.045 1.00 0.00 H new ATOM 0 HG22 ILE A 30 50.595 48.382 18.567 1.00 0.00 H new ATOM 0 HG23 ILE A 30 49.803 49.594 19.602 1.00 0.00 H new ATOM 0 HD11 ILE A 30 46.154 47.711 20.956 1.00 0.00 H new ATOM 0 HD12 ILE A 30 46.881 46.544 19.825 1.00 0.00 H new ATOM 0 HD13 ILE A 30 47.908 47.409 20.993 1.00 0.00 H new ATOM 490 N GLN A 31 49.816 48.668 15.341 1.00 0.00 N ATOM 491 CA GLN A 31 50.940 48.817 14.439 1.00 0.00 C ATOM 492 C GLN A 31 50.899 50.139 13.672 1.00 0.00 C ATOM 493 O GLN A 31 51.948 50.751 13.477 1.00 0.00 O ATOM 494 CB GLN A 31 51.067 47.612 13.512 1.00 0.00 C ATOM 495 CG GLN A 31 52.402 47.621 12.773 1.00 0.00 C ATOM 496 CD GLN A 31 52.693 46.358 11.960 1.00 0.00 C ATOM 497 OE1 GLN A 31 51.809 45.630 11.513 1.00 0.00 O ATOM 498 NE2 GLN A 31 53.966 46.034 11.746 1.00 0.00 N ATOM 0 H GLN A 31 49.166 47.925 15.083 1.00 0.00 H new ATOM 0 HA GLN A 31 51.842 48.852 15.050 1.00 0.00 H new ATOM 0 HB2 GLN A 31 50.976 46.693 14.091 1.00 0.00 H new ATOM 0 HB3 GLN A 31 50.249 47.617 12.791 1.00 0.00 H new ATOM 0 HG2 GLN A 31 52.425 48.481 12.103 1.00 0.00 H new ATOM 0 HG3 GLN A 31 53.203 47.761 13.499 1.00 0.00 H new ATOM 0 HE21 GLN A 31 54.711 46.627 12.110 1.00 0.00 H new ATOM 0 HE22 GLN A 31 54.196 45.192 11.218 1.00 0.00 H new ATOM 507 N ASP A 32 49.728 50.632 13.278 1.00 0.00 N ATOM 508 CA ASP A 32 49.611 51.965 12.720 1.00 0.00 C ATOM 509 C ASP A 32 49.942 53.060 13.736 1.00 0.00 C ATOM 510 O ASP A 32 50.763 53.927 13.445 1.00 0.00 O ATOM 511 CB ASP A 32 48.228 52.206 12.122 1.00 0.00 C ATOM 512 CG ASP A 32 48.145 51.836 10.640 1.00 0.00 C ATOM 513 OD1 ASP A 32 48.943 52.362 9.835 1.00 0.00 O ATOM 514 OD2 ASP A 32 47.289 51.001 10.277 1.00 0.00 O ATOM 0 H ASP A 32 48.847 50.122 13.338 1.00 0.00 H new ATOM 0 HA ASP A 32 50.351 52.021 11.922 1.00 0.00 H new ATOM 0 HB2 ASP A 32 47.492 51.625 12.678 1.00 0.00 H new ATOM 0 HB3 ASP A 32 47.963 53.256 12.244 1.00 0.00 H new ATOM 519 N LYS A 33 49.330 53.041 14.917 1.00 0.00 N ATOM 520 CA LYS A 33 49.416 54.131 15.869 1.00 0.00 C ATOM 521 C LYS A 33 50.715 54.182 16.675 1.00 0.00 C ATOM 522 O LYS A 33 51.188 55.283 16.945 1.00 0.00 O ATOM 523 CB LYS A 33 48.194 54.111 16.783 1.00 0.00 C ATOM 524 CG LYS A 33 46.960 54.657 16.072 1.00 0.00 C ATOM 525 CD LYS A 33 45.732 54.602 16.976 1.00 0.00 C ATOM 526 CE LYS A 33 44.489 55.219 16.342 1.00 0.00 C ATOM 527 NZ LYS A 33 44.581 56.682 16.227 1.00 0.00 N ATOM 0 H LYS A 33 48.757 52.260 15.237 1.00 0.00 H new ATOM 0 HA LYS A 33 49.430 55.048 15.281 1.00 0.00 H new ATOM 0 HB2 LYS A 33 48.003 53.091 17.116 1.00 0.00 H new ATOM 0 HB3 LYS A 33 48.395 54.705 17.675 1.00 0.00 H new ATOM 0 HG2 LYS A 33 47.141 55.686 15.763 1.00 0.00 H new ATOM 0 HG3 LYS A 33 46.774 54.080 15.166 1.00 0.00 H new ATOM 0 HD2 LYS A 33 45.524 53.563 17.232 1.00 0.00 H new ATOM 0 HD3 LYS A 33 45.952 55.122 17.908 1.00 0.00 H new ATOM 0 HE2 LYS A 33 44.339 54.789 15.352 1.00 0.00 H new ATOM 0 HE3 LYS A 33 43.614 54.959 16.938 1.00 0.00 H new ATOM 0 HZ1 LYS A 33 43.705 57.053 15.806 1.00 0.00 H new ATOM 0 HZ2 LYS A 33 44.714 57.097 17.171 1.00 0.00 H new ATOM 0 HZ3 LYS A 33 45.389 56.933 15.622 1.00 0.00 H new ATOM 541 N GLU A 34 51.300 53.042 17.033 1.00 0.00 N ATOM 542 CA GLU A 34 52.485 52.945 17.862 1.00 0.00 C ATOM 543 C GLU A 34 53.645 52.199 17.199 1.00 0.00 C ATOM 544 O GLU A 34 54.725 52.121 17.780 1.00 0.00 O ATOM 545 CB GLU A 34 52.132 52.296 19.197 1.00 0.00 C ATOM 546 CG GLU A 34 51.251 53.140 20.114 1.00 0.00 C ATOM 547 CD GLU A 34 51.966 54.396 20.617 1.00 0.00 C ATOM 548 OE1 GLU A 34 53.003 54.284 21.307 1.00 0.00 O ATOM 549 OE2 GLU A 34 51.515 55.522 20.318 1.00 0.00 O ATOM 0 H GLU A 34 50.945 52.132 16.740 1.00 0.00 H new ATOM 0 HA GLU A 34 52.836 53.965 18.019 1.00 0.00 H new ATOM 0 HB2 GLU A 34 51.626 51.351 19.001 1.00 0.00 H new ATOM 0 HB3 GLU A 34 53.056 52.059 19.724 1.00 0.00 H new ATOM 0 HG2 GLU A 34 50.347 53.430 19.579 1.00 0.00 H new ATOM 0 HG3 GLU A 34 50.937 52.538 20.967 1.00 0.00 H new ATOM 556 N GLY A 35 53.489 51.635 16.005 1.00 0.00 N ATOM 557 CA GLY A 35 54.588 51.041 15.271 1.00 0.00 C ATOM 558 C GLY A 35 55.042 49.656 15.735 1.00 0.00 C ATOM 559 O GLY A 35 55.923 49.077 15.104 1.00 0.00 O ATOM 0 H GLY A 35 52.592 51.580 15.523 1.00 0.00 H new ATOM 0 HA2 GLY A 35 54.302 50.973 14.221 1.00 0.00 H new ATOM 0 HA3 GLY A 35 55.441 51.717 15.326 1.00 0.00 H new ATOM 563 N ILE A 36 54.455 49.094 16.788 1.00 0.00 N ATOM 564 CA ILE A 36 54.852 47.817 17.347 1.00 0.00 C ATOM 565 C ILE A 36 54.338 46.697 16.441 1.00 0.00 C ATOM 566 O ILE A 36 53.133 46.638 16.209 1.00 0.00 O ATOM 567 CB ILE A 36 54.351 47.646 18.779 1.00 0.00 C ATOM 568 CG1 ILE A 36 54.675 48.839 19.674 1.00 0.00 C ATOM 569 CG2 ILE A 36 54.937 46.370 19.376 1.00 0.00 C ATOM 570 CD1 ILE A 36 54.010 48.788 21.047 1.00 0.00 C ATOM 0 H ILE A 36 53.675 49.527 17.282 1.00 0.00 H new ATOM 0 HA ILE A 36 55.940 47.774 17.393 1.00 0.00 H new ATOM 0 HB ILE A 36 53.264 47.579 18.732 1.00 0.00 H new ATOM 0 HG12 ILE A 36 55.755 48.896 19.808 1.00 0.00 H new ATOM 0 HG13 ILE A 36 54.367 49.754 19.167 1.00 0.00 H new ATOM 0 HG21 ILE A 36 54.579 46.249 20.398 1.00 0.00 H new ATOM 0 HG22 ILE A 36 54.626 45.513 18.779 1.00 0.00 H new ATOM 0 HG23 ILE A 36 56.025 46.436 19.378 1.00 0.00 H new ATOM 0 HD11 ILE A 36 54.291 49.671 21.620 1.00 0.00 H new ATOM 0 HD12 ILE A 36 52.927 48.763 20.926 1.00 0.00 H new ATOM 0 HD13 ILE A 36 54.336 47.893 21.576 1.00 0.00 H new ATOM 582 N PRO A 37 55.173 45.798 15.926 1.00 0.00 N ATOM 583 CA PRO A 37 54.726 44.754 15.028 1.00 0.00 C ATOM 584 C PRO A 37 53.902 43.690 15.756 1.00 0.00 C ATOM 585 O PRO A 37 54.199 43.366 16.903 1.00 0.00 O ATOM 586 CB PRO A 37 55.990 44.205 14.373 1.00 0.00 C ATOM 587 CG PRO A 37 57.049 44.426 15.450 1.00 0.00 C ATOM 588 CD PRO A 37 56.610 45.732 16.104 1.00 0.00 C ATOM 0 HA PRO A 37 54.044 45.135 14.268 1.00 0.00 H new ATOM 0 HB2 PRO A 37 55.888 43.151 14.116 1.00 0.00 H new ATOM 0 HB3 PRO A 37 56.232 44.736 13.452 1.00 0.00 H new ATOM 0 HG2 PRO A 37 57.073 43.605 16.166 1.00 0.00 H new ATOM 0 HG3 PRO A 37 58.048 44.505 15.022 1.00 0.00 H new ATOM 0 HD2 PRO A 37 56.874 45.748 17.161 1.00 0.00 H new ATOM 0 HD3 PRO A 37 57.101 46.587 15.639 1.00 0.00 H new ATOM 596 N PRO A 38 52.863 43.139 15.134 1.00 0.00 N ATOM 597 CA PRO A 38 51.832 42.381 15.812 1.00 0.00 C ATOM 598 C PRO A 38 52.339 41.093 16.465 1.00 0.00 C ATOM 599 O PRO A 38 51.839 40.714 17.523 1.00 0.00 O ATOM 600 CB PRO A 38 50.765 42.098 14.758 1.00 0.00 C ATOM 601 CG PRO A 38 51.524 42.169 13.437 1.00 0.00 C ATOM 602 CD PRO A 38 52.534 43.275 13.729 1.00 0.00 C ATOM 0 HA PRO A 38 51.438 42.957 16.649 1.00 0.00 H new ATOM 0 HB2 PRO A 38 50.309 41.119 14.904 1.00 0.00 H new ATOM 0 HB3 PRO A 38 49.961 42.833 14.796 1.00 0.00 H new ATOM 0 HG2 PRO A 38 52.009 41.224 13.191 1.00 0.00 H new ATOM 0 HG3 PRO A 38 50.871 42.419 12.601 1.00 0.00 H new ATOM 0 HD2 PRO A 38 53.422 43.170 13.106 1.00 0.00 H new ATOM 0 HD3 PRO A 38 52.112 44.258 13.518 1.00 0.00 H new ATOM 610 N ASP A 39 53.377 40.472 15.913 1.00 0.00 N ATOM 611 CA ASP A 39 54.003 39.282 16.452 1.00 0.00 C ATOM 612 C ASP A 39 54.752 39.531 17.762 1.00 0.00 C ATOM 613 O ASP A 39 54.926 38.610 18.558 1.00 0.00 O ATOM 614 CB ASP A 39 54.900 38.659 15.387 1.00 0.00 C ATOM 615 CG ASP A 39 56.024 39.589 14.928 1.00 0.00 C ATOM 616 OD1 ASP A 39 55.732 40.570 14.211 1.00 0.00 O ATOM 617 OD2 ASP A 39 57.201 39.327 15.262 1.00 0.00 O ATOM 0 H ASP A 39 53.815 40.798 15.051 1.00 0.00 H new ATOM 0 HA ASP A 39 53.213 38.578 16.713 1.00 0.00 H new ATOM 0 HB2 ASP A 39 55.335 37.740 15.780 1.00 0.00 H new ATOM 0 HB3 ASP A 39 54.292 38.381 14.526 1.00 0.00 H new ATOM 622 N GLN A 40 55.145 40.769 18.047 1.00 0.00 N ATOM 623 CA GLN A 40 55.782 41.175 19.283 1.00 0.00 C ATOM 624 C GLN A 40 54.822 41.791 20.302 1.00 0.00 C ATOM 625 O GLN A 40 55.202 41.940 21.461 1.00 0.00 O ATOM 626 CB GLN A 40 56.945 42.117 18.984 1.00 0.00 C ATOM 627 CG GLN A 40 58.067 41.442 18.200 1.00 0.00 C ATOM 628 CD GLN A 40 59.282 42.360 18.059 1.00 0.00 C ATOM 629 OE1 GLN A 40 59.522 42.966 17.017 1.00 0.00 O ATOM 630 NE2 GLN A 40 60.070 42.524 19.118 1.00 0.00 N ATOM 0 H GLN A 40 55.021 41.543 17.394 1.00 0.00 H new ATOM 0 HA GLN A 40 56.157 40.266 19.754 1.00 0.00 H new ATOM 0 HB2 GLN A 40 56.577 42.973 18.418 1.00 0.00 H new ATOM 0 HB3 GLN A 40 57.345 42.503 19.922 1.00 0.00 H new ATOM 0 HG2 GLN A 40 58.362 40.521 18.704 1.00 0.00 H new ATOM 0 HG3 GLN A 40 57.704 41.162 17.211 1.00 0.00 H new ATOM 0 HE21 GLN A 40 59.872 42.022 19.984 1.00 0.00 H new ATOM 0 HE22 GLN A 40 60.872 43.152 19.065 1.00 0.00 H new ATOM 639 N GLN A 41 53.598 42.145 19.918 1.00 0.00 N ATOM 640 CA GLN A 41 52.592 42.658 20.824 1.00 0.00 C ATOM 641 C GLN A 41 52.039 41.560 21.735 1.00 0.00 C ATOM 642 O GLN A 41 51.805 40.443 21.280 1.00 0.00 O ATOM 643 CB GLN A 41 51.434 43.293 20.059 1.00 0.00 C ATOM 644 CG GLN A 41 51.777 44.558 19.279 1.00 0.00 C ATOM 645 CD GLN A 41 50.556 45.104 18.533 1.00 0.00 C ATOM 646 OE1 GLN A 41 49.421 45.006 18.992 1.00 0.00 O ATOM 647 NE2 GLN A 41 50.713 45.691 17.350 1.00 0.00 N ATOM 0 H GLN A 41 53.279 42.080 18.951 1.00 0.00 H new ATOM 0 HA GLN A 41 53.082 43.414 21.437 1.00 0.00 H new ATOM 0 HB2 GLN A 41 51.033 42.556 19.363 1.00 0.00 H new ATOM 0 HB3 GLN A 41 50.639 43.528 20.767 1.00 0.00 H new ATOM 0 HG2 GLN A 41 52.157 45.317 19.963 1.00 0.00 H new ATOM 0 HG3 GLN A 41 52.574 44.343 18.567 1.00 0.00 H new ATOM 0 HE21 GLN A 41 51.645 45.785 16.947 1.00 0.00 H new ATOM 0 HE22 GLN A 41 49.901 46.047 16.846 1.00 0.00 H new ATOM 656 N ARG A 42 51.761 41.884 22.995 1.00 0.00 N ATOM 657 CA ARG A 42 51.041 41.058 23.943 1.00 0.00 C ATOM 658 C ARG A 42 50.056 41.921 24.736 1.00 0.00 C ATOM 659 O ARG A 42 50.434 42.991 25.210 1.00 0.00 O ATOM 660 CB ARG A 42 52.029 40.359 24.872 1.00 0.00 C ATOM 661 CG ARG A 42 53.016 39.402 24.211 1.00 0.00 C ATOM 662 CD ARG A 42 52.351 38.162 23.620 1.00 0.00 C ATOM 663 NE ARG A 42 53.330 37.256 23.021 1.00 0.00 N ATOM 664 CZ ARG A 42 53.712 37.196 21.737 1.00 0.00 C ATOM 665 NH1 ARG A 42 53.313 38.088 20.820 1.00 0.00 N ATOM 666 NH2 ARG A 42 54.528 36.217 21.327 1.00 0.00 N ATOM 0 H ARG A 42 52.049 42.776 23.397 1.00 0.00 H new ATOM 0 HA ARG A 42 50.475 40.295 23.409 1.00 0.00 H new ATOM 0 HB2 ARG A 42 52.597 41.122 25.405 1.00 0.00 H new ATOM 0 HB3 ARG A 42 51.462 39.804 25.619 1.00 0.00 H new ATOM 0 HG2 ARG A 42 53.550 39.930 23.421 1.00 0.00 H new ATOM 0 HG3 ARG A 42 53.759 39.092 24.946 1.00 0.00 H new ATOM 0 HD2 ARG A 42 51.800 37.638 24.401 1.00 0.00 H new ATOM 0 HD3 ARG A 42 51.625 38.463 22.865 1.00 0.00 H new ATOM 0 HE ARG A 42 53.775 36.591 23.654 1.00 0.00 H new ATOM 0 HH11 ARG A 42 52.693 38.852 21.088 1.00 0.00 H new ATOM 0 HH12 ARG A 42 53.629 38.003 19.854 1.00 0.00 H new ATOM 0 HH21 ARG A 42 54.859 35.517 21.991 1.00 0.00 H new ATOM 0 HH22 ARG A 42 54.819 36.171 20.350 1.00 0.00 H new ATOM 680 N LEU A 43 48.809 41.484 24.884 1.00 0.00 N ATOM 681 CA LEU A 43 47.747 42.218 25.541 1.00 0.00 C ATOM 682 C LEU A 43 47.143 41.452 26.720 1.00 0.00 C ATOM 683 O LEU A 43 46.992 40.235 26.647 1.00 0.00 O ATOM 684 CB LEU A 43 46.667 42.584 24.527 1.00 0.00 C ATOM 685 CG LEU A 43 47.108 43.477 23.371 1.00 0.00 C ATOM 686 CD1 LEU A 43 45.944 43.672 22.404 1.00 0.00 C ATOM 687 CD2 LEU A 43 47.559 44.858 23.837 1.00 0.00 C ATOM 0 H LEU A 43 48.505 40.575 24.535 1.00 0.00 H new ATOM 0 HA LEU A 43 48.185 43.127 25.953 1.00 0.00 H new ATOM 0 HB2 LEU A 43 46.259 41.662 24.112 1.00 0.00 H new ATOM 0 HB3 LEU A 43 45.855 43.083 25.056 1.00 0.00 H new ATOM 0 HG LEU A 43 47.951 42.978 22.893 1.00 0.00 H new ATOM 0 HD11 LEU A 43 46.260 44.310 21.579 1.00 0.00 H new ATOM 0 HD12 LEU A 43 45.629 42.704 22.014 1.00 0.00 H new ATOM 0 HD13 LEU A 43 45.111 44.141 22.927 1.00 0.00 H new ATOM 0 HD21 LEU A 43 47.862 45.452 22.975 1.00 0.00 H new ATOM 0 HD22 LEU A 43 46.736 45.356 24.349 1.00 0.00 H new ATOM 0 HD23 LEU A 43 48.402 44.754 24.520 1.00 0.00 H new ATOM 699 N ILE A 44 46.783 42.162 27.786 1.00 0.00 N ATOM 700 CA ILE A 44 46.203 41.624 29.000 1.00 0.00 C ATOM 701 C ILE A 44 44.998 42.442 29.468 1.00 0.00 C ATOM 702 O ILE A 44 45.075 43.661 29.603 1.00 0.00 O ATOM 703 CB ILE A 44 47.244 41.494 30.107 1.00 0.00 C ATOM 704 CG1 ILE A 44 48.520 40.760 29.701 1.00 0.00 C ATOM 705 CG2 ILE A 44 46.653 40.753 31.301 1.00 0.00 C ATOM 706 CD1 ILE A 44 49.635 41.664 29.183 1.00 0.00 C ATOM 0 H ILE A 44 46.896 43.175 27.822 1.00 0.00 H new ATOM 0 HA ILE A 44 45.843 40.623 28.763 1.00 0.00 H new ATOM 0 HB ILE A 44 47.517 42.521 30.350 1.00 0.00 H new ATOM 0 HG12 ILE A 44 48.892 40.202 30.561 1.00 0.00 H new ATOM 0 HG13 ILE A 44 48.274 40.030 28.930 1.00 0.00 H new ATOM 0 HG21 ILE A 44 47.406 40.667 32.085 1.00 0.00 H new ATOM 0 HG22 ILE A 44 45.794 41.305 31.683 1.00 0.00 H new ATOM 0 HG23 ILE A 44 46.336 39.757 30.991 1.00 0.00 H new ATOM 0 HD11 ILE A 44 50.502 41.058 28.919 1.00 0.00 H new ATOM 0 HD12 ILE A 44 49.287 42.203 28.302 1.00 0.00 H new ATOM 0 HD13 ILE A 44 49.914 42.378 29.958 1.00 0.00 H new ATOM 718 N PHE A 45 43.894 41.769 29.782 1.00 0.00 N ATOM 719 CA PHE A 45 42.700 42.339 30.373 1.00 0.00 C ATOM 720 C PHE A 45 42.058 41.383 31.380 1.00 0.00 C ATOM 721 O PHE A 45 41.948 40.191 31.102 1.00 0.00 O ATOM 722 CB PHE A 45 41.695 42.700 29.283 1.00 0.00 C ATOM 723 CG PHE A 45 40.454 43.380 29.809 1.00 0.00 C ATOM 724 CD1 PHE A 45 40.513 44.722 30.206 1.00 0.00 C ATOM 725 CD2 PHE A 45 39.255 42.669 29.947 1.00 0.00 C ATOM 726 CE1 PHE A 45 39.380 45.349 30.738 1.00 0.00 C ATOM 727 CE2 PHE A 45 38.118 43.298 30.467 1.00 0.00 C ATOM 728 CZ PHE A 45 38.179 44.640 30.863 1.00 0.00 C ATOM 0 H PHE A 45 43.810 40.765 29.621 1.00 0.00 H new ATOM 0 HA PHE A 45 42.994 43.242 30.909 1.00 0.00 H new ATOM 0 HB2 PHE A 45 42.178 43.354 28.557 1.00 0.00 H new ATOM 0 HB3 PHE A 45 41.405 41.793 28.752 1.00 0.00 H new ATOM 0 HD1 PHE A 45 41.435 45.275 30.101 1.00 0.00 H new ATOM 0 HD2 PHE A 45 39.208 41.631 29.651 1.00 0.00 H new ATOM 0 HE1 PHE A 45 39.432 46.381 31.052 1.00 0.00 H new ATOM 0 HE2 PHE A 45 37.193 42.748 30.563 1.00 0.00 H new ATOM 0 HZ PHE A 45 37.302 45.127 31.264 1.00 0.00 H new ATOM 738 N ALA A 46 41.626 41.881 32.536 1.00 0.00 N ATOM 739 CA ALA A 46 40.999 41.128 33.602 1.00 0.00 C ATOM 740 C ALA A 46 41.751 39.857 34.005 1.00 0.00 C ATOM 741 O ALA A 46 41.163 38.807 34.255 1.00 0.00 O ATOM 742 CB ALA A 46 39.522 40.925 33.280 1.00 0.00 C ATOM 0 H ALA A 46 41.712 42.873 32.759 1.00 0.00 H new ATOM 0 HA ALA A 46 41.058 41.720 34.515 1.00 0.00 H new ATOM 0 HB1 ALA A 46 39.049 40.358 34.082 1.00 0.00 H new ATOM 0 HB2 ALA A 46 39.034 41.895 33.185 1.00 0.00 H new ATOM 0 HB3 ALA A 46 39.426 40.377 32.343 1.00 0.00 H new ATOM 748 N GLY A 47 43.080 39.921 34.025 1.00 0.00 N ATOM 749 CA GLY A 47 43.973 38.811 34.284 1.00 0.00 C ATOM 750 C GLY A 47 44.184 37.839 33.122 1.00 0.00 C ATOM 751 O GLY A 47 45.081 37.003 33.197 1.00 0.00 O ATOM 0 H GLY A 47 43.580 40.793 33.852 1.00 0.00 H new ATOM 0 HA2 GLY A 47 44.943 39.211 34.578 1.00 0.00 H new ATOM 0 HA3 GLY A 47 43.588 38.251 35.136 1.00 0.00 H new ATOM 755 N LYS A 48 43.415 37.946 32.042 1.00 0.00 N ATOM 756 CA LYS A 48 43.432 37.055 30.901 1.00 0.00 C ATOM 757 C LYS A 48 44.417 37.552 29.842 1.00 0.00 C ATOM 758 O LYS A 48 44.446 38.731 29.496 1.00 0.00 O ATOM 759 CB LYS A 48 42.023 36.891 30.337 1.00 0.00 C ATOM 760 CG LYS A 48 41.050 36.298 31.351 1.00 0.00 C ATOM 761 CD LYS A 48 39.604 36.344 30.865 1.00 0.00 C ATOM 762 CE LYS A 48 38.676 35.889 31.987 1.00 0.00 C ATOM 763 NZ LYS A 48 37.277 36.255 31.715 1.00 0.00 N ATOM 0 H LYS A 48 42.731 38.696 31.940 1.00 0.00 H new ATOM 0 HA LYS A 48 43.775 36.072 31.224 1.00 0.00 H new ATOM 0 HB2 LYS A 48 41.652 37.862 30.008 1.00 0.00 H new ATOM 0 HB3 LYS A 48 42.061 36.249 29.457 1.00 0.00 H new ATOM 0 HG2 LYS A 48 41.329 35.264 31.557 1.00 0.00 H new ATOM 0 HG3 LYS A 48 41.132 36.843 32.291 1.00 0.00 H new ATOM 0 HD2 LYS A 48 39.346 37.356 30.553 1.00 0.00 H new ATOM 0 HD3 LYS A 48 39.481 35.701 29.994 1.00 0.00 H new ATOM 0 HE2 LYS A 48 38.753 34.808 32.108 1.00 0.00 H new ATOM 0 HE3 LYS A 48 38.994 36.339 32.928 1.00 0.00 H new ATOM 0 HZ1 LYS A 48 36.675 35.930 32.498 1.00 0.00 H new ATOM 0 HZ2 LYS A 48 37.200 37.288 31.624 1.00 0.00 H new ATOM 0 HZ3 LYS A 48 36.966 35.806 30.830 1.00 0.00 H new ATOM 777 N GLN A 49 45.224 36.639 29.309 1.00 0.00 N ATOM 778 CA GLN A 49 46.229 36.896 28.296 1.00 0.00 C ATOM 779 C GLN A 49 45.599 36.675 26.919 1.00 0.00 C ATOM 780 O GLN A 49 45.218 35.555 26.587 1.00 0.00 O ATOM 781 CB GLN A 49 47.439 36.000 28.552 1.00 0.00 C ATOM 782 CG GLN A 49 48.132 36.281 29.883 1.00 0.00 C ATOM 783 CD GLN A 49 49.175 35.214 30.217 1.00 0.00 C ATOM 784 OE1 GLN A 49 48.851 34.112 30.658 1.00 0.00 O ATOM 785 NE2 GLN A 49 50.463 35.476 30.020 1.00 0.00 N ATOM 0 H GLN A 49 45.189 35.658 29.587 1.00 0.00 H new ATOM 0 HA GLN A 49 46.583 37.926 28.334 1.00 0.00 H new ATOM 0 HB2 GLN A 49 47.121 34.958 28.530 1.00 0.00 H new ATOM 0 HB3 GLN A 49 48.157 36.132 27.742 1.00 0.00 H new ATOM 0 HG2 GLN A 49 48.612 37.259 29.843 1.00 0.00 H new ATOM 0 HG3 GLN A 49 47.388 36.323 30.678 1.00 0.00 H new ATOM 0 HE21 GLN A 49 50.749 36.385 29.655 1.00 0.00 H new ATOM 0 HE22 GLN A 49 51.166 34.768 30.234 1.00 0.00 H new ATOM 794 N LEU A 50 45.392 37.748 26.161 1.00 0.00 N ATOM 795 CA LEU A 50 44.432 37.785 25.077 1.00 0.00 C ATOM 796 C LEU A 50 44.950 37.109 23.806 1.00 0.00 C ATOM 797 O LEU A 50 46.109 37.281 23.435 1.00 0.00 O ATOM 798 CB LEU A 50 43.980 39.219 24.817 1.00 0.00 C ATOM 799 CG LEU A 50 43.562 40.030 26.041 1.00 0.00 C ATOM 800 CD1 LEU A 50 43.018 41.388 25.608 1.00 0.00 C ATOM 801 CD2 LEU A 50 42.502 39.343 26.896 1.00 0.00 C ATOM 0 H LEU A 50 45.896 38.625 26.289 1.00 0.00 H new ATOM 0 HA LEU A 50 43.564 37.204 25.388 1.00 0.00 H new ATOM 0 HB2 LEU A 50 44.791 39.748 24.317 1.00 0.00 H new ATOM 0 HB3 LEU A 50 43.141 39.192 24.122 1.00 0.00 H new ATOM 0 HG LEU A 50 44.461 40.136 26.648 1.00 0.00 H new ATOM 0 HD11 LEU A 50 42.723 41.959 26.488 1.00 0.00 H new ATOM 0 HD12 LEU A 50 43.790 41.933 25.064 1.00 0.00 H new ATOM 0 HD13 LEU A 50 42.152 41.244 24.962 1.00 0.00 H new ATOM 0 HD21 LEU A 50 42.254 39.977 27.747 1.00 0.00 H new ATOM 0 HD22 LEU A 50 41.607 39.172 26.298 1.00 0.00 H new ATOM 0 HD23 LEU A 50 42.886 38.388 27.255 1.00 0.00 H new ATOM 813 N GLU A 51 44.091 36.352 23.130 1.00 0.00 N ATOM 814 CA GLU A 51 44.405 35.538 21.973 1.00 0.00 C ATOM 815 C GLU A 51 43.869 36.132 20.669 1.00 0.00 C ATOM 816 O GLU A 51 42.857 36.829 20.647 1.00 0.00 O ATOM 817 CB GLU A 51 43.893 34.112 22.154 1.00 0.00 C ATOM 818 CG GLU A 51 44.383 33.457 23.442 1.00 0.00 C ATOM 819 CD GLU A 51 44.051 31.964 23.457 1.00 0.00 C ATOM 820 OE1 GLU A 51 44.892 31.158 23.003 1.00 0.00 O ATOM 821 OE2 GLU A 51 42.962 31.597 23.950 1.00 0.00 O ATOM 0 H GLU A 51 43.107 36.291 23.393 1.00 0.00 H new ATOM 0 HA GLU A 51 45.492 35.519 21.895 1.00 0.00 H new ATOM 0 HB2 GLU A 51 42.803 34.121 22.150 1.00 0.00 H new ATOM 0 HB3 GLU A 51 44.210 33.508 21.304 1.00 0.00 H new ATOM 0 HG2 GLU A 51 45.460 33.595 23.538 1.00 0.00 H new ATOM 0 HG3 GLU A 51 43.922 33.945 24.301 1.00 0.00 H new ATOM 828 N ASP A 52 44.522 35.842 19.547 1.00 0.00 N ATOM 829 CA ASP A 52 44.396 36.603 18.319 1.00 0.00 C ATOM 830 C ASP A 52 43.117 36.299 17.535 1.00 0.00 C ATOM 831 O ASP A 52 42.558 37.174 16.877 1.00 0.00 O ATOM 832 CB ASP A 52 45.636 36.377 17.459 1.00 0.00 C ATOM 833 CG ASP A 52 46.930 36.456 18.270 1.00 0.00 C ATOM 834 OD1 ASP A 52 47.426 37.576 18.519 1.00 0.00 O ATOM 835 OD2 ASP A 52 47.422 35.387 18.692 1.00 0.00 O ATOM 0 H ASP A 52 45.165 35.054 19.470 1.00 0.00 H new ATOM 0 HA ASP A 52 44.319 37.655 18.595 1.00 0.00 H new ATOM 0 HB2 ASP A 52 45.570 35.400 16.980 1.00 0.00 H new ATOM 0 HB3 ASP A 52 45.663 37.121 16.663 1.00 0.00 H new ATOM 840 N GLY A 53 42.637 35.062 17.623 1.00 0.00 N ATOM 841 CA GLY A 53 41.421 34.560 17.014 1.00 0.00 C ATOM 842 C GLY A 53 40.149 34.763 17.841 1.00 0.00 C ATOM 843 O GLY A 53 39.162 34.080 17.582 1.00 0.00 O ATOM 0 H GLY A 53 43.122 34.341 18.157 1.00 0.00 H new ATOM 0 HA2 GLY A 53 41.289 35.047 16.048 1.00 0.00 H new ATOM 0 HA3 GLY A 53 41.543 33.494 16.820 1.00 0.00 H new ATOM 847 N ARG A 54 40.167 35.633 18.848 1.00 0.00 N ATOM 848 CA ARG A 54 39.049 35.952 19.714 1.00 0.00 C ATOM 849 C ARG A 54 38.628 37.419 19.599 1.00 0.00 C ATOM 850 O ARG A 54 39.365 38.247 19.068 1.00 0.00 O ATOM 851 CB ARG A 54 39.392 35.571 21.150 1.00 0.00 C ATOM 852 CG ARG A 54 39.511 34.068 21.393 1.00 0.00 C ATOM 853 CD ARG A 54 38.218 33.325 21.067 1.00 0.00 C ATOM 854 NE ARG A 54 38.245 31.933 21.516 1.00 0.00 N ATOM 855 CZ ARG A 54 37.244 31.053 21.369 1.00 0.00 C ATOM 856 NH1 ARG A 54 36.102 31.377 20.748 1.00 0.00 N ATOM 857 NH2 ARG A 54 37.356 29.814 21.865 1.00 0.00 N ATOM 0 H ARG A 54 41.008 36.158 19.089 1.00 0.00 H new ATOM 0 HA ARG A 54 38.187 35.368 19.392 1.00 0.00 H new ATOM 0 HB2 ARG A 54 40.334 36.047 21.424 1.00 0.00 H new ATOM 0 HB3 ARG A 54 38.626 35.974 21.813 1.00 0.00 H new ATOM 0 HG2 ARG A 54 40.321 33.667 20.785 1.00 0.00 H new ATOM 0 HG3 ARG A 54 39.777 33.890 22.435 1.00 0.00 H new ATOM 0 HD2 ARG A 54 37.379 33.839 21.536 1.00 0.00 H new ATOM 0 HD3 ARG A 54 38.048 33.353 19.991 1.00 0.00 H new ATOM 0 HE ARG A 54 39.093 31.606 21.978 1.00 0.00 H new ATOM 0 HH11 ARG A 54 35.975 32.316 20.371 1.00 0.00 H new ATOM 0 HH12 ARG A 54 35.359 30.684 20.652 1.00 0.00 H new ATOM 0 HH21 ARG A 54 38.205 29.536 22.357 1.00 0.00 H new ATOM 0 HH22 ARG A 54 36.592 29.148 21.751 1.00 0.00 H new ATOM 871 N THR A 55 37.429 37.729 20.082 1.00 0.00 N ATOM 872 CA THR A 55 36.817 39.042 20.041 1.00 0.00 C ATOM 873 C THR A 55 36.809 39.729 21.407 1.00 0.00 C ATOM 874 O THR A 55 36.986 39.081 22.437 1.00 0.00 O ATOM 875 CB THR A 55 35.398 39.002 19.482 1.00 0.00 C ATOM 876 OG1 THR A 55 34.494 38.355 20.349 1.00 0.00 O ATOM 877 CG2 THR A 55 35.297 38.335 18.114 1.00 0.00 C ATOM 0 H THR A 55 36.834 37.034 20.533 1.00 0.00 H new ATOM 0 HA THR A 55 37.440 39.629 19.366 1.00 0.00 H new ATOM 0 HB THR A 55 35.129 40.053 19.380 1.00 0.00 H new ATOM 0 HG1 THR A 55 34.961 37.645 20.837 1.00 0.00 H new ATOM 0 HG21 THR A 55 34.259 38.344 17.781 1.00 0.00 H new ATOM 0 HG22 THR A 55 35.913 38.879 17.398 1.00 0.00 H new ATOM 0 HG23 THR A 55 35.647 37.305 18.185 1.00 0.00 H new ATOM 885 N LEU A 56 36.545 41.031 21.449 1.00 0.00 N ATOM 886 CA LEU A 56 36.456 41.776 22.689 1.00 0.00 C ATOM 887 C LEU A 56 35.381 41.233 23.632 1.00 0.00 C ATOM 888 O LEU A 56 35.585 41.181 24.844 1.00 0.00 O ATOM 889 CB LEU A 56 36.242 43.253 22.375 1.00 0.00 C ATOM 890 CG LEU A 56 37.519 44.035 22.082 1.00 0.00 C ATOM 891 CD1 LEU A 56 38.247 43.591 20.815 1.00 0.00 C ATOM 892 CD2 LEU A 56 37.185 45.516 21.931 1.00 0.00 C ATOM 0 H LEU A 56 36.387 41.598 20.616 1.00 0.00 H new ATOM 0 HA LEU A 56 37.398 41.656 23.225 1.00 0.00 H new ATOM 0 HB2 LEU A 56 35.577 43.335 21.515 1.00 0.00 H new ATOM 0 HB3 LEU A 56 35.732 43.719 23.218 1.00 0.00 H new ATOM 0 HG LEU A 56 38.182 43.843 22.925 1.00 0.00 H new ATOM 0 HD11 LEU A 56 39.143 44.196 20.679 1.00 0.00 H new ATOM 0 HD12 LEU A 56 38.528 42.542 20.906 1.00 0.00 H new ATOM 0 HD13 LEU A 56 37.590 43.718 19.955 1.00 0.00 H new ATOM 0 HD21 LEU A 56 38.097 46.075 21.722 1.00 0.00 H new ATOM 0 HD22 LEU A 56 36.481 45.648 21.109 1.00 0.00 H new ATOM 0 HD23 LEU A 56 36.738 45.884 22.854 1.00 0.00 H new ATOM 904 N SER A 57 34.264 40.759 23.088 1.00 0.00 N ATOM 905 CA SER A 57 33.188 40.144 23.838 1.00 0.00 C ATOM 906 C SER A 57 33.551 38.807 24.487 1.00 0.00 C ATOM 907 O SER A 57 32.944 38.451 25.494 1.00 0.00 O ATOM 908 CB SER A 57 31.959 39.965 22.951 1.00 0.00 C ATOM 909 OG SER A 57 31.482 41.209 22.492 1.00 0.00 O ATOM 0 H SER A 57 34.083 40.796 22.085 1.00 0.00 H new ATOM 0 HA SER A 57 32.976 40.832 24.657 1.00 0.00 H new ATOM 0 HB2 SER A 57 32.209 39.331 22.100 1.00 0.00 H new ATOM 0 HB3 SER A 57 31.174 39.454 23.509 1.00 0.00 H new ATOM 0 HG SER A 57 32.164 41.634 21.931 1.00 0.00 H new ATOM 915 N ASP A 58 34.568 38.098 24.006 1.00 0.00 N ATOM 916 CA ASP A 58 35.090 36.903 24.637 1.00 0.00 C ATOM 917 C ASP A 58 35.874 37.179 25.922 1.00 0.00 C ATOM 918 O ASP A 58 36.130 36.267 26.704 1.00 0.00 O ATOM 919 CB ASP A 58 35.959 36.130 23.648 1.00 0.00 C ATOM 920 CG ASP A 58 35.174 35.625 22.436 1.00 0.00 C ATOM 921 OD1 ASP A 58 34.259 34.796 22.630 1.00 0.00 O ATOM 922 OD2 ASP A 58 35.477 36.029 21.293 1.00 0.00 O ATOM 0 H ASP A 58 35.059 38.349 23.148 1.00 0.00 H new ATOM 0 HA ASP A 58 34.226 36.306 24.929 1.00 0.00 H new ATOM 0 HB2 ASP A 58 36.771 36.772 23.307 1.00 0.00 H new ATOM 0 HB3 ASP A 58 36.415 35.282 24.158 1.00 0.00 H new ATOM 927 N TYR A 59 36.225 38.440 26.158 1.00 0.00 N ATOM 928 CA TYR A 59 37.002 38.902 27.290 1.00 0.00 C ATOM 929 C TYR A 59 36.275 39.924 28.168 1.00 0.00 C ATOM 930 O TYR A 59 36.901 40.512 29.046 1.00 0.00 O ATOM 931 CB TYR A 59 38.345 39.429 26.793 1.00 0.00 C ATOM 932 CG TYR A 59 39.147 38.411 26.017 1.00 0.00 C ATOM 933 CD1 TYR A 59 39.593 37.255 26.670 1.00 0.00 C ATOM 934 CD2 TYR A 59 39.453 38.631 24.670 1.00 0.00 C ATOM 935 CE1 TYR A 59 40.343 36.303 25.969 1.00 0.00 C ATOM 936 CE2 TYR A 59 40.225 37.697 23.969 1.00 0.00 C ATOM 937 CZ TYR A 59 40.655 36.519 24.612 1.00 0.00 C ATOM 938 OH TYR A 59 41.372 35.581 23.930 1.00 0.00 O ATOM 0 H TYR A 59 35.959 39.199 25.531 1.00 0.00 H new ATOM 0 HA TYR A 59 37.163 38.047 27.947 1.00 0.00 H new ATOM 0 HB2 TYR A 59 38.172 40.300 26.161 1.00 0.00 H new ATOM 0 HB3 TYR A 59 38.932 39.766 27.647 1.00 0.00 H new ATOM 0 HD1 TYR A 59 39.359 37.098 27.713 1.00 0.00 H new ATOM 0 HD2 TYR A 59 39.094 39.520 24.172 1.00 0.00 H new ATOM 0 HE1 TYR A 59 40.681 35.406 26.467 1.00 0.00 H new ATOM 0 HE2 TYR A 59 40.490 37.879 22.938 1.00 0.00 H new ATOM 0 HH TYR A 59 40.969 34.698 24.067 1.00 0.00 H new ATOM 948 N ASN A 60 34.969 40.110 27.993 1.00 0.00 N ATOM 949 CA ASN A 60 34.153 41.002 28.792 1.00 0.00 C ATOM 950 C ASN A 60 34.650 42.450 28.781 1.00 0.00 C ATOM 951 O ASN A 60 34.516 43.173 29.767 1.00 0.00 O ATOM 952 CB ASN A 60 33.959 40.437 30.196 1.00 0.00 C ATOM 953 CG ASN A 60 33.578 38.956 30.249 1.00 0.00 C ATOM 954 OD1 ASN A 60 32.864 38.411 29.410 1.00 0.00 O ATOM 955 ND2 ASN A 60 34.047 38.244 31.270 1.00 0.00 N ATOM 0 H ASN A 60 34.439 39.627 27.268 1.00 0.00 H new ATOM 0 HA ASN A 60 33.170 41.054 28.325 1.00 0.00 H new ATOM 0 HB2 ASN A 60 34.881 40.580 30.760 1.00 0.00 H new ATOM 0 HB3 ASN A 60 33.184 41.015 30.700 1.00 0.00 H new ATOM 0 HD21 ASN A 60 33.813 37.254 31.352 1.00 0.00 H new ATOM 0 HD22 ASN A 60 34.640 38.688 31.971 1.00 0.00 H new ATOM 962 N ILE A 61 35.248 42.886 27.676 1.00 0.00 N ATOM 963 CA ILE A 61 35.723 44.243 27.491 1.00 0.00 C ATOM 964 C ILE A 61 34.511 45.148 27.257 1.00 0.00 C ATOM 965 O ILE A 61 33.627 44.810 26.474 1.00 0.00 O ATOM 966 CB ILE A 61 36.762 44.282 26.375 1.00 0.00 C ATOM 967 CG1 ILE A 61 38.040 43.578 26.819 1.00 0.00 C ATOM 968 CG2 ILE A 61 37.078 45.707 25.930 1.00 0.00 C ATOM 969 CD1 ILE A 61 39.002 43.213 25.692 1.00 0.00 C ATOM 0 H ILE A 61 35.417 42.287 26.868 1.00 0.00 H new ATOM 0 HA ILE A 61 36.236 44.617 28.377 1.00 0.00 H new ATOM 0 HB ILE A 61 36.336 43.759 25.519 1.00 0.00 H new ATOM 0 HG12 ILE A 61 38.562 44.220 27.528 1.00 0.00 H new ATOM 0 HG13 ILE A 61 37.768 42.668 27.353 1.00 0.00 H new ATOM 0 HG21 ILE A 61 37.823 45.683 25.134 1.00 0.00 H new ATOM 0 HG22 ILE A 61 36.169 46.183 25.562 1.00 0.00 H new ATOM 0 HG23 ILE A 61 37.468 46.274 26.775 1.00 0.00 H new ATOM 0 HD11 ILE A 61 39.879 42.717 26.108 1.00 0.00 H new ATOM 0 HD12 ILE A 61 38.504 42.542 24.992 1.00 0.00 H new ATOM 0 HD13 ILE A 61 39.311 44.118 25.170 1.00 0.00 H new ATOM 981 N GLN A 62 34.471 46.282 27.950 1.00 0.00 N ATOM 982 CA GLN A 62 33.362 47.212 28.007 1.00 0.00 C ATOM 983 C GLN A 62 33.757 48.605 27.514 1.00 0.00 C ATOM 984 O GLN A 62 34.891 48.853 27.109 1.00 0.00 O ATOM 985 CB GLN A 62 32.819 47.235 29.433 1.00 0.00 C ATOM 986 CG GLN A 62 32.032 45.974 29.775 1.00 0.00 C ATOM 987 CD GLN A 62 31.326 46.088 31.128 1.00 0.00 C ATOM 988 OE1 GLN A 62 30.209 46.589 31.237 1.00 0.00 O ATOM 989 NE2 GLN A 62 31.943 45.630 32.215 1.00 0.00 N ATOM 0 H GLN A 62 35.261 46.589 28.518 1.00 0.00 H new ATOM 0 HA GLN A 62 32.574 46.878 27.332 1.00 0.00 H new ATOM 0 HB2 GLN A 62 33.648 47.344 30.133 1.00 0.00 H new ATOM 0 HB3 GLN A 62 32.177 48.107 29.561 1.00 0.00 H new ATOM 0 HG2 GLN A 62 31.294 45.785 28.996 1.00 0.00 H new ATOM 0 HG3 GLN A 62 32.707 45.118 29.789 1.00 0.00 H new ATOM 0 HE21 GLN A 62 32.870 45.212 32.137 1.00 0.00 H new ATOM 0 HE22 GLN A 62 31.489 45.697 33.126 1.00 0.00 H new ATOM 998 N LYS A 63 32.810 49.539 27.522 1.00 0.00 N ATOM 999 CA LYS A 63 33.016 50.931 27.178 1.00 0.00 C ATOM 1000 C LYS A 63 34.138 51.559 28.008 1.00 0.00 C ATOM 1001 O LYS A 63 34.069 51.574 29.236 1.00 0.00 O ATOM 1002 CB LYS A 63 31.696 51.669 27.378 1.00 0.00 C ATOM 1003 CG LYS A 63 31.719 53.108 26.870 1.00 0.00 C ATOM 1004 CD LYS A 63 30.382 53.809 27.101 1.00 0.00 C ATOM 1005 CE LYS A 63 30.120 54.114 28.573 1.00 0.00 C ATOM 1006 NZ LYS A 63 30.792 55.348 29.009 1.00 0.00 N ATOM 0 H LYS A 63 31.845 49.333 27.779 1.00 0.00 H new ATOM 0 HA LYS A 63 33.330 51.007 26.137 1.00 0.00 H new ATOM 0 HB2 LYS A 63 30.903 51.124 26.866 1.00 0.00 H new ATOM 0 HB3 LYS A 63 31.447 51.671 28.439 1.00 0.00 H new ATOM 0 HG2 LYS A 63 32.512 53.660 27.375 1.00 0.00 H new ATOM 0 HG3 LYS A 63 31.955 53.115 25.806 1.00 0.00 H new ATOM 0 HD2 LYS A 63 30.362 54.739 26.533 1.00 0.00 H new ATOM 0 HD3 LYS A 63 29.577 53.183 26.716 1.00 0.00 H new ATOM 0 HE2 LYS A 63 29.047 54.208 28.738 1.00 0.00 H new ATOM 0 HE3 LYS A 63 30.464 53.279 29.183 1.00 0.00 H new ATOM 0 HZ1 LYS A 63 30.702 55.447 30.040 1.00 0.00 H new ATOM 0 HZ2 LYS A 63 31.799 55.304 28.752 1.00 0.00 H new ATOM 0 HZ3 LYS A 63 30.351 56.167 28.543 1.00 0.00 H new ATOM 1020 N GLU A 64 35.161 52.084 27.339 1.00 0.00 N ATOM 1021 CA GLU A 64 36.286 52.772 27.936 1.00 0.00 C ATOM 1022 C GLU A 64 37.067 51.932 28.950 1.00 0.00 C ATOM 1023 O GLU A 64 37.714 52.461 29.850 1.00 0.00 O ATOM 1024 CB GLU A 64 35.856 54.150 28.431 1.00 0.00 C ATOM 1025 CG GLU A 64 35.305 55.074 27.350 1.00 0.00 C ATOM 1026 CD GLU A 64 34.500 56.218 27.972 1.00 0.00 C ATOM 1027 OE1 GLU A 64 34.930 57.389 27.901 1.00 0.00 O ATOM 1028 OE2 GLU A 64 33.440 55.952 28.578 1.00 0.00 O ATOM 0 H GLU A 64 35.225 52.036 26.322 1.00 0.00 H new ATOM 0 HA GLU A 64 37.030 52.936 27.157 1.00 0.00 H new ATOM 0 HB2 GLU A 64 35.097 54.023 29.202 1.00 0.00 H new ATOM 0 HB3 GLU A 64 36.711 54.635 28.902 1.00 0.00 H new ATOM 0 HG2 GLU A 64 36.126 55.480 26.759 1.00 0.00 H new ATOM 0 HG3 GLU A 64 34.672 54.506 26.668 1.00 0.00 H new ATOM 1035 N SER A 65 37.033 50.611 28.800 1.00 0.00 N ATOM 1036 CA SER A 65 37.924 49.679 29.462 1.00 0.00 C ATOM 1037 C SER A 65 39.387 49.951 29.107 1.00 0.00 C ATOM 1038 O SER A 65 39.689 50.318 27.974 1.00 0.00 O ATOM 1039 CB SER A 65 37.616 48.243 29.045 1.00 0.00 C ATOM 1040 OG SER A 65 36.423 47.761 29.621 1.00 0.00 O ATOM 0 H SER A 65 36.358 50.149 28.191 1.00 0.00 H new ATOM 0 HA SER A 65 37.768 49.812 30.533 1.00 0.00 H new ATOM 0 HB2 SER A 65 37.539 48.191 27.959 1.00 0.00 H new ATOM 0 HB3 SER A 65 38.444 47.597 29.337 1.00 0.00 H new ATOM 0 HG SER A 65 36.589 46.888 30.034 1.00 0.00 H new ATOM 1046 N THR A 66 40.299 49.704 30.044 1.00 0.00 N ATOM 1047 CA THR A 66 41.726 49.799 29.816 1.00 0.00 C ATOM 1048 C THR A 66 42.347 48.412 29.639 1.00 0.00 C ATOM 1049 O THR A 66 42.295 47.588 30.549 1.00 0.00 O ATOM 1050 CB THR A 66 42.460 50.533 30.934 1.00 0.00 C ATOM 1051 OG1 THR A 66 41.930 51.828 31.108 1.00 0.00 O ATOM 1052 CG2 THR A 66 43.940 50.723 30.616 1.00 0.00 C ATOM 0 H THR A 66 40.057 49.428 30.996 1.00 0.00 H new ATOM 0 HA THR A 66 41.842 50.379 28.901 1.00 0.00 H new ATOM 0 HB THR A 66 42.337 49.920 31.827 1.00 0.00 H new ATOM 0 HG1 THR A 66 42.411 52.284 31.830 1.00 0.00 H new ATOM 0 HG21 THR A 66 44.424 51.250 31.438 1.00 0.00 H new ATOM 0 HG22 THR A 66 44.411 49.749 30.481 1.00 0.00 H new ATOM 0 HG23 THR A 66 44.044 51.306 29.701 1.00 0.00 H new ATOM 1060 N LEU A 67 42.995 48.182 28.501 1.00 0.00 N ATOM 1061 CA LEU A 67 43.871 47.055 28.247 1.00 0.00 C ATOM 1062 C LEU A 67 45.304 47.455 28.602 1.00 0.00 C ATOM 1063 O LEU A 67 45.718 48.583 28.344 1.00 0.00 O ATOM 1064 CB LEU A 67 43.767 46.622 26.788 1.00 0.00 C ATOM 1065 CG LEU A 67 42.510 45.855 26.390 1.00 0.00 C ATOM 1066 CD1 LEU A 67 41.217 46.658 26.501 1.00 0.00 C ATOM 1067 CD2 LEU A 67 42.646 45.384 24.944 1.00 0.00 C ATOM 0 H LEU A 67 42.917 48.807 27.699 1.00 0.00 H new ATOM 0 HA LEU A 67 43.574 46.207 28.864 1.00 0.00 H new ATOM 0 HB2 LEU A 67 43.835 47.512 26.163 1.00 0.00 H new ATOM 0 HB3 LEU A 67 44.632 46.002 26.554 1.00 0.00 H new ATOM 0 HG LEU A 67 42.434 45.027 27.095 1.00 0.00 H new ATOM 0 HD11 LEU A 67 40.375 46.035 26.199 1.00 0.00 H new ATOM 0 HD12 LEU A 67 41.077 46.982 27.532 1.00 0.00 H new ATOM 0 HD13 LEU A 67 41.274 47.531 25.851 1.00 0.00 H new ATOM 0 HD21 LEU A 67 41.750 44.835 24.654 1.00 0.00 H new ATOM 0 HD22 LEU A 67 42.770 46.247 24.290 1.00 0.00 H new ATOM 0 HD23 LEU A 67 43.515 44.733 24.854 1.00 0.00 H new ATOM 1079 N HIS A 68 46.089 46.530 29.150 1.00 0.00 N ATOM 1080 CA HIS A 68 47.512 46.724 29.339 1.00 0.00 C ATOM 1081 C HIS A 68 48.299 45.984 28.255 1.00 0.00 C ATOM 1082 O HIS A 68 47.974 44.853 27.898 1.00 0.00 O ATOM 1083 CB HIS A 68 47.935 46.380 30.764 1.00 0.00 C ATOM 1084 CG HIS A 68 47.792 47.553 31.693 1.00 0.00 C ATOM 1085 ND1 HIS A 68 48.848 48.322 32.180 1.00 0.00 N ATOM 1086 CD2 HIS A 68 46.614 48.101 32.133 1.00 0.00 C ATOM 1087 CE1 HIS A 68 48.298 49.307 32.894 1.00 0.00 C ATOM 1088 NE2 HIS A 68 46.958 49.207 32.886 1.00 0.00 N ATOM 0 H HIS A 68 45.749 45.625 29.474 1.00 0.00 H new ATOM 0 HA HIS A 68 47.751 47.781 29.220 1.00 0.00 H new ATOM 0 HB2 HIS A 68 47.330 45.551 31.131 1.00 0.00 H new ATOM 0 HB3 HIS A 68 48.971 46.043 30.763 1.00 0.00 H new ATOM 0 HD2 HIS A 68 45.616 47.740 31.931 1.00 0.00 H new ATOM 0 HE1 HIS A 68 48.854 50.078 33.407 1.00 0.00 H new ATOM 0 HE2 HIS A 68 46.308 49.838 33.354 1.00 0.00 H new ATOM 1096 N LEU A 69 49.316 46.655 27.724 1.00 0.00 N ATOM 1097 CA LEU A 69 50.176 46.185 26.657 1.00 0.00 C ATOM 1098 C LEU A 69 51.581 45.889 27.184 1.00 0.00 C ATOM 1099 O LEU A 69 52.145 46.670 27.947 1.00 0.00 O ATOM 1100 CB LEU A 69 50.156 47.209 25.526 1.00 0.00 C ATOM 1101 CG LEU A 69 51.024 46.883 24.314 1.00 0.00 C ATOM 1102 CD1 LEU A 69 50.438 47.522 23.059 1.00 0.00 C ATOM 1103 CD2 LEU A 69 52.449 47.420 24.420 1.00 0.00 C ATOM 0 H LEU A 69 49.571 47.588 28.047 1.00 0.00 H new ATOM 0 HA LEU A 69 49.809 45.240 26.257 1.00 0.00 H new ATOM 0 HB2 LEU A 69 49.126 47.329 25.189 1.00 0.00 H new ATOM 0 HB3 LEU A 69 50.474 48.171 25.928 1.00 0.00 H new ATOM 0 HG LEU A 69 51.046 45.794 24.269 1.00 0.00 H new ATOM 0 HD11 LEU A 69 51.066 47.282 22.201 1.00 0.00 H new ATOM 0 HD12 LEU A 69 49.432 47.138 22.891 1.00 0.00 H new ATOM 0 HD13 LEU A 69 50.396 48.604 23.187 1.00 0.00 H new ATOM 0 HD21 LEU A 69 53.007 47.150 23.523 1.00 0.00 H new ATOM 0 HD22 LEU A 69 52.422 48.505 24.518 1.00 0.00 H new ATOM 0 HD23 LEU A 69 52.936 46.988 25.294 1.00 0.00 H new ATOM 1115 N VAL A 70 52.142 44.781 26.705 1.00 0.00 N ATOM 1116 CA VAL A 70 53.529 44.376 26.808 1.00 0.00 C ATOM 1117 C VAL A 70 54.065 44.180 25.387 1.00 0.00 C ATOM 1118 O VAL A 70 53.320 43.769 24.500 1.00 0.00 O ATOM 1119 CB VAL A 70 53.641 43.111 27.653 1.00 0.00 C ATOM 1120 CG1 VAL A 70 55.044 42.510 27.675 1.00 0.00 C ATOM 1121 CG2 VAL A 70 53.218 43.380 29.093 1.00 0.00 C ATOM 0 H VAL A 70 51.588 44.093 26.195 1.00 0.00 H new ATOM 0 HA VAL A 70 54.129 45.137 27.308 1.00 0.00 H new ATOM 0 HB VAL A 70 52.974 42.392 27.178 1.00 0.00 H new ATOM 0 HG11 VAL A 70 55.046 41.614 28.295 1.00 0.00 H new ATOM 0 HG12 VAL A 70 55.344 42.250 26.660 1.00 0.00 H new ATOM 0 HG13 VAL A 70 55.745 43.237 28.085 1.00 0.00 H new ATOM 0 HG21 VAL A 70 53.307 42.463 29.676 1.00 0.00 H new ATOM 0 HG22 VAL A 70 53.861 44.147 29.524 1.00 0.00 H new ATOM 0 HG23 VAL A 70 52.183 43.722 29.110 1.00 0.00 H new ATOM 1131 N LEU A 71 55.345 44.455 25.157 1.00 0.00 N ATOM 1132 CA LEU A 71 56.026 44.094 23.930 1.00 0.00 C ATOM 1133 C LEU A 71 57.235 43.192 24.190 1.00 0.00 C ATOM 1134 O LEU A 71 58.031 43.438 25.094 1.00 0.00 O ATOM 1135 CB LEU A 71 56.325 45.299 23.044 1.00 0.00 C ATOM 1136 CG LEU A 71 57.460 46.232 23.460 1.00 0.00 C ATOM 1137 CD1 LEU A 71 57.806 47.148 22.289 1.00 0.00 C ATOM 1138 CD2 LEU A 71 57.120 47.119 24.655 1.00 0.00 C ATOM 0 H LEU A 71 55.940 44.940 25.828 1.00 0.00 H new ATOM 0 HA LEU A 71 55.333 43.490 23.345 1.00 0.00 H new ATOM 0 HB2 LEU A 71 56.546 44.930 22.043 1.00 0.00 H new ATOM 0 HB3 LEU A 71 55.414 45.893 22.971 1.00 0.00 H new ATOM 0 HG LEU A 71 58.292 45.590 23.749 1.00 0.00 H new ATOM 0 HD11 LEU A 71 58.616 47.818 22.578 1.00 0.00 H new ATOM 0 HD12 LEU A 71 58.120 46.546 21.436 1.00 0.00 H new ATOM 0 HD13 LEU A 71 56.930 47.736 22.015 1.00 0.00 H new ATOM 0 HD21 LEU A 71 57.974 47.754 24.892 1.00 0.00 H new ATOM 0 HD22 LEU A 71 56.260 47.743 24.412 1.00 0.00 H new ATOM 0 HD23 LEU A 71 56.883 46.494 25.516 1.00 0.00 H new ATOM 1150 N ARG A 72 57.348 42.141 23.384 1.00 0.00 N ATOM 1151 CA ARG A 72 58.328 41.079 23.499 1.00 0.00 C ATOM 1152 C ARG A 72 59.606 41.456 22.746 1.00 0.00 C ATOM 1153 O ARG A 72 59.777 41.114 21.578 1.00 0.00 O ATOM 1154 CB ARG A 72 57.668 39.776 23.057 1.00 0.00 C ATOM 1155 CG ARG A 72 58.557 38.552 23.256 1.00 0.00 C ATOM 1156 CD ARG A 72 57.776 37.267 23.006 1.00 0.00 C ATOM 1157 NE ARG A 72 58.657 36.100 23.053 1.00 0.00 N ATOM 1158 CZ ARG A 72 59.311 35.545 22.023 1.00 0.00 C ATOM 1159 NH1 ARG A 72 59.184 35.988 20.765 1.00 0.00 N ATOM 1160 NH2 ARG A 72 60.142 34.515 22.227 1.00 0.00 N ATOM 0 H ARG A 72 56.721 42.005 22.591 1.00 0.00 H new ATOM 0 HA ARG A 72 58.655 40.930 24.528 1.00 0.00 H new ATOM 0 HB2 ARG A 72 56.742 39.638 23.615 1.00 0.00 H new ATOM 0 HB3 ARG A 72 57.397 39.853 22.004 1.00 0.00 H new ATOM 0 HG2 ARG A 72 59.409 38.602 22.578 1.00 0.00 H new ATOM 0 HG3 ARG A 72 58.956 38.548 24.270 1.00 0.00 H new ATOM 0 HD2 ARG A 72 56.990 37.164 23.754 1.00 0.00 H new ATOM 0 HD3 ARG A 72 57.286 37.318 22.034 1.00 0.00 H new ATOM 0 HE ARG A 72 58.787 35.663 23.965 1.00 0.00 H new ATOM 0 HH11 ARG A 72 58.571 36.777 20.562 1.00 0.00 H new ATOM 0 HH12 ARG A 72 59.701 35.536 20.011 1.00 0.00 H new ATOM 0 HH21 ARG A 72 60.279 34.150 23.169 1.00 0.00 H new ATOM 0 HH22 ARG A 72 60.637 34.096 21.440 1.00 0.00 H new ATOM 1174 N LEU A 73 60.499 42.183 23.411 1.00 0.00 N ATOM 1175 CA LEU A 73 61.716 42.741 22.856 1.00 0.00 C ATOM 1176 C LEU A 73 62.705 41.692 22.343 1.00 0.00 C ATOM 1177 O LEU A 73 63.454 41.973 21.410 1.00 0.00 O ATOM 1178 CB LEU A 73 62.389 43.632 23.896 1.00 0.00 C ATOM 1179 CG LEU A 73 61.584 44.837 24.376 1.00 0.00 C ATOM 1180 CD1 LEU A 73 62.370 45.590 25.447 1.00 0.00 C ATOM 1181 CD2 LEU A 73 61.256 45.823 23.259 1.00 0.00 C ATOM 0 H LEU A 73 60.383 42.407 24.399 1.00 0.00 H new ATOM 0 HA LEU A 73 61.420 43.323 21.983 1.00 0.00 H new ATOM 0 HB2 LEU A 73 62.637 43.019 24.763 1.00 0.00 H new ATOM 0 HB3 LEU A 73 63.330 43.993 23.480 1.00 0.00 H new ATOM 0 HG LEU A 73 60.647 44.440 24.767 1.00 0.00 H new ATOM 0 HD11 LEU A 73 61.791 46.449 25.786 1.00 0.00 H new ATOM 0 HD12 LEU A 73 62.563 44.927 26.290 1.00 0.00 H new ATOM 0 HD13 LEU A 73 63.317 45.932 25.030 1.00 0.00 H new ATOM 0 HD21 LEU A 73 60.683 46.656 23.666 1.00 0.00 H new ATOM 0 HD22 LEU A 73 62.181 46.198 22.822 1.00 0.00 H new ATOM 0 HD23 LEU A 73 60.669 45.320 22.490 1.00 0.00 H new ATOM 1193 N ARG A 74 62.690 40.473 22.872 1.00 0.00 N ATOM 1194 CA ARG A 74 63.475 39.370 22.354 1.00 0.00 C ATOM 1195 C ARG A 74 62.987 38.806 21.017 1.00 0.00 C ATOM 1196 O ARG A 74 63.707 38.028 20.397 1.00 0.00 O ATOM 1197 CB ARG A 74 63.625 38.274 23.405 1.00 0.00 C ATOM 1198 CG ARG A 74 62.328 37.538 23.728 1.00 0.00 C ATOM 1199 CD ARG A 74 62.561 36.383 24.698 1.00 0.00 C ATOM 1200 NE ARG A 74 62.807 36.817 26.073 1.00 0.00 N ATOM 1201 CZ ARG A 74 62.792 35.998 27.133 1.00 0.00 C ATOM 1202 NH1 ARG A 74 62.623 34.673 27.018 1.00 0.00 N ATOM 1203 NH2 ARG A 74 62.963 36.458 28.379 1.00 0.00 N ATOM 0 H ARG A 74 62.123 40.225 23.683 1.00 0.00 H new ATOM 0 HA ARG A 74 64.456 39.789 22.131 1.00 0.00 H new ATOM 0 HB2 ARG A 74 64.363 37.551 23.058 1.00 0.00 H new ATOM 0 HB3 ARG A 74 64.017 38.715 24.321 1.00 0.00 H new ATOM 0 HG2 ARG A 74 61.611 38.236 24.159 1.00 0.00 H new ATOM 0 HG3 ARG A 74 61.887 37.157 22.807 1.00 0.00 H new ATOM 0 HD2 ARG A 74 61.692 35.725 24.683 1.00 0.00 H new ATOM 0 HD3 ARG A 74 63.412 35.795 24.353 1.00 0.00 H new ATOM 0 HE ARG A 74 63.002 37.805 26.235 1.00 0.00 H new ATOM 0 HH11 ARG A 74 62.499 34.253 26.097 1.00 0.00 H new ATOM 0 HH12 ARG A 74 62.618 34.085 27.852 1.00 0.00 H new ATOM 0 HH21 ARG A 74 63.109 37.455 28.539 1.00 0.00 H new ATOM 0 HH22 ARG A 74 62.947 35.812 29.168 1.00 0.00 H new ATOM 1217 N GLY A 75 61.776 39.155 20.591 1.00 0.00 N ATOM 1218 CA GLY A 75 61.130 38.665 19.390 1.00 0.00 C ATOM 1219 C GLY A 75 61.503 39.421 18.113 1.00 0.00 C ATOM 1220 O GLY A 75 62.528 40.096 18.039 1.00 0.00 O ATOM 0 H GLY A 75 61.196 39.819 21.103 1.00 0.00 H new ATOM 0 HA2 GLY A 75 61.383 37.613 19.261 1.00 0.00 H new ATOM 0 HA3 GLY A 75 60.050 38.719 19.526 1.00 0.00 H new ATOM 1224 N GLY A 76 60.642 39.309 17.106 1.00 0.00 N ATOM 1225 CA GLY A 76 60.762 39.956 15.815 1.00 0.00 C ATOM 1226 C GLY A 76 61.604 39.171 14.806 1.00 0.00 C ATOM 1227 O GLY A 76 61.308 37.978 14.581 1.00 0.00 O ATOM 1228 OXT GLY A 76 62.510 39.789 14.207 1.00 0.00 O ATOM 0 H GLY A 76 59.802 38.735 17.178 1.00 0.00 H new ATOM 0 HA2 GLY A 76 59.765 40.108 15.401 1.00 0.00 H new ATOM 0 HA3 GLY A 76 61.204 40.943 15.953 1.00 0.00 H new TER 1232 GLY A 76