USER MOD reduce.3.24.130724 H: found=0, std=0, add=628, rem=0, adj=14 USER MOD reduce.3.24.130724 removed 628 hydrogens (10 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 NoAdj-H: A 65 SEP H2 : A 65 SEP N : A 64 GLU C :(H bumps) USER MOD NoAdj-H: A 66 TPO H2 : A 66 TPO N : A 65 SEP C :(H bumps) USER MOD Set 1.1: A 25 ASN : amide:sc= -2.41! C(o=-4.3!,f=-13!) USER MOD Set 1.2: A 29 LYS NZ :NH3+ 179:sc= -1.89! (180deg=-0.547) USER MOD Single : A 1 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Single : A 1 MET N :NH3+ -162:sc= 0.672 (180deg=-0.0636) USER MOD Single : A 2 GLN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 6 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 7 THR OG1 : rot 88:sc= 0.202 USER MOD Single : A 9 THR OG1 : rot 180:sc= 0 USER MOD Single : A 11 LYS NZ :NH3+ 157:sc= -0.142 (180deg=-0.955) USER MOD Single : A 12 THR OG1 : rot 180:sc= 0 USER MOD Single : A 14 THR OG1 : rot 103:sc= 0.197 USER MOD Single : A 20 SER OG : rot -28:sc= 0.869 USER MOD Single : A 22 THR OG1 : rot 180:sc= 0.084 USER MOD Single : A 27 LYS NZ :NH3+ -162:sc= 0.828 (180deg=0.724) USER MOD Single : A 31 GLN : amide:sc= -0.444 K(o=-0.44,f=-2!) USER MOD Single : A 33 LYS NZ :NH3+ -132:sc= -0.222 (180deg=-2.61!) USER MOD Single : A 40 GLN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 41 GLN : amide:sc= -2.78 K(o=-2.8,f=-4.5!) USER MOD Single : A 48 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 49 GLN : amide:sc= -0.213 X(o=-0.21,f=-0.27) 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 30:sc= 0 USER MOD Single : A 60 ASN : amide:sc= 0 X(o=0,f=-0.021) USER MOD Single : A 62 GLN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 63 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 68 HIS : no HD1:sc= -1.55! C(o=-1.6!,f=-5.4!) USER MOD ----------------------------------------------------------------- ATOM 1 N MET A 1 25.598 24.606 2.841 1.00 0.00 N ATOM 2 CA MET A 1 24.749 25.730 3.328 1.00 0.00 C ATOM 3 C MET A 1 25.640 26.918 3.691 1.00 0.00 C ATOM 4 O MET A 1 26.734 26.756 4.196 1.00 0.00 O ATOM 5 CB MET A 1 23.965 25.284 4.563 1.00 0.00 C ATOM 6 CG MET A 1 23.294 23.938 4.282 1.00 0.00 C ATOM 7 SD MET A 1 22.155 24.113 2.887 1.00 0.00 S ATOM 8 CE MET A 1 22.112 22.369 2.407 1.00 0.00 C ATOM 0 H1 MET A 1 25.009 23.928 2.317 1.00 0.00 H new ATOM 0 H2 MET A 1 26.340 24.978 2.214 1.00 0.00 H new ATOM 0 H3 MET A 1 26.038 24.127 3.652 1.00 0.00 H new ATOM 0 HA MET A 1 24.051 26.023 2.544 1.00 0.00 H new ATOM 0 HB2 MET A 1 24.633 25.198 5.420 1.00 0.00 H new ATOM 0 HB3 MET A 1 23.213 26.031 4.819 1.00 0.00 H new ATOM 0 HG2 MET A 1 24.048 23.183 4.058 1.00 0.00 H new ATOM 0 HG3 MET A 1 22.754 23.597 5.166 1.00 0.00 H new ATOM 0 HE1 MET A 1 21.454 22.245 1.547 1.00 0.00 H new ATOM 0 HE2 MET A 1 23.117 22.039 2.146 1.00 0.00 H new ATOM 0 HE3 MET A 1 21.738 21.772 3.239 1.00 0.00 H new ATOM 20 N GLN A 2 25.178 28.115 3.433 1.00 0.00 N ATOM 21 CA GLN A 2 25.989 29.330 3.752 1.00 0.00 C ATOM 22 C GLN A 2 25.485 29.968 5.049 1.00 0.00 C ATOM 23 O GLN A 2 24.301 30.036 5.301 1.00 0.00 O ATOM 24 CB GLN A 2 25.855 30.340 2.609 1.00 0.00 C ATOM 25 CG GLN A 2 24.381 30.711 2.420 1.00 0.00 C ATOM 26 CD GLN A 2 24.235 31.612 1.191 1.00 0.00 C ATOM 27 OE1 GLN A 2 24.830 32.669 1.125 1.00 0.00 O ATOM 28 NE2 GLN A 2 23.463 31.234 0.210 1.00 0.00 N ATOM 0 H GLN A 2 24.268 28.304 3.012 1.00 0.00 H new ATOM 0 HA GLN A 2 27.033 29.043 3.875 1.00 0.00 H new ATOM 0 HB2 GLN A 2 26.440 31.233 2.829 1.00 0.00 H new ATOM 0 HB3 GLN A 2 26.255 29.917 1.688 1.00 0.00 H new ATOM 0 HG2 GLN A 2 23.781 29.809 2.297 1.00 0.00 H new ATOM 0 HG3 GLN A 2 24.007 31.224 3.306 1.00 0.00 H new ATOM 0 HE21 GLN A 2 22.964 30.346 0.267 1.00 0.00 H new ATOM 0 HE22 GLN A 2 23.358 31.826 -0.614 1.00 0.00 H new ATOM 37 N ILE A 3 26.383 30.447 5.867 1.00 0.00 N ATOM 38 CA ILE A 3 25.978 31.101 7.150 1.00 0.00 C ATOM 39 C ILE A 3 26.937 32.258 7.424 1.00 0.00 C ATOM 40 O ILE A 3 27.971 32.367 6.792 1.00 0.00 O ATOM 41 CB ILE A 3 26.048 30.087 8.294 1.00 0.00 C ATOM 42 CG1 ILE A 3 27.404 29.380 8.272 1.00 0.00 C ATOM 43 CG2 ILE A 3 24.932 29.052 8.129 1.00 0.00 C ATOM 44 CD1 ILE A 3 27.535 28.491 9.510 1.00 0.00 C ATOM 0 H ILE A 3 27.389 30.414 5.702 1.00 0.00 H new ATOM 0 HA ILE A 3 24.956 31.472 7.075 1.00 0.00 H new ATOM 0 HB ILE A 3 25.926 30.607 9.244 1.00 0.00 H new ATOM 0 HG12 ILE A 3 27.498 28.779 7.368 1.00 0.00 H new ATOM 0 HG13 ILE A 3 28.209 30.115 8.252 1.00 0.00 H new ATOM 0 HG21 ILE A 3 24.982 28.330 8.944 1.00 0.00 H new ATOM 0 HG22 ILE A 3 23.965 29.554 8.148 1.00 0.00 H new ATOM 0 HG23 ILE A 3 25.054 28.534 7.178 1.00 0.00 H new ATOM 0 HD11 ILE A 3 28.501 27.987 9.495 1.00 0.00 H new ATOM 0 HD12 ILE A 3 27.460 29.104 10.408 1.00 0.00 H new ATOM 0 HD13 ILE A 3 26.738 27.748 9.510 1.00 0.00 H new ATOM 56 N PHE A 4 26.611 33.128 8.353 1.00 0.00 N ATOM 57 CA PHE A 4 27.513 34.290 8.654 1.00 0.00 C ATOM 58 C PHE A 4 27.830 34.330 10.148 1.00 0.00 C ATOM 59 O PHE A 4 26.955 34.220 10.981 1.00 0.00 O ATOM 60 CB PHE A 4 26.813 35.591 8.257 1.00 0.00 C ATOM 61 CG PHE A 4 26.511 35.571 6.779 1.00 0.00 C ATOM 62 CD1 PHE A 4 25.224 35.250 6.329 1.00 0.00 C ATOM 63 CD2 PHE A 4 27.519 35.874 5.856 1.00 0.00 C ATOM 64 CE1 PHE A 4 24.946 35.233 4.957 1.00 0.00 C ATOM 65 CE2 PHE A 4 27.241 35.856 4.484 1.00 0.00 C ATOM 66 CZ PHE A 4 25.954 35.535 4.035 1.00 0.00 C ATOM 0 H PHE A 4 25.761 33.084 8.915 1.00 0.00 H new ATOM 0 HA PHE A 4 28.439 34.178 8.090 1.00 0.00 H new ATOM 0 HB2 PHE A 4 25.890 35.708 8.826 1.00 0.00 H new ATOM 0 HB3 PHE A 4 27.446 36.445 8.498 1.00 0.00 H new ATOM 0 HD1 PHE A 4 24.446 35.016 7.041 1.00 0.00 H new ATOM 0 HD2 PHE A 4 28.511 36.122 6.202 1.00 0.00 H new ATOM 0 HE1 PHE A 4 23.953 34.987 4.610 1.00 0.00 H new ATOM 0 HE2 PHE A 4 28.019 36.090 3.772 1.00 0.00 H new ATOM 0 HZ PHE A 4 25.739 35.521 2.977 1.00 0.00 H new ATOM 76 N VAL A 5 29.080 34.483 10.499 1.00 0.00 N ATOM 77 CA VAL A 5 29.448 34.531 11.945 1.00 0.00 C ATOM 78 C VAL A 5 29.451 35.985 12.409 1.00 0.00 C ATOM 79 O VAL A 5 30.233 36.794 11.952 1.00 0.00 O ATOM 80 CB VAL A 5 30.839 33.929 12.142 1.00 0.00 C ATOM 81 CG1 VAL A 5 31.166 33.878 13.635 1.00 0.00 C ATOM 82 CG2 VAL A 5 30.866 32.513 11.565 1.00 0.00 C ATOM 0 H VAL A 5 29.860 34.577 9.849 1.00 0.00 H new ATOM 0 HA VAL A 5 28.725 33.959 12.527 1.00 0.00 H new ATOM 0 HB VAL A 5 31.578 34.545 11.630 1.00 0.00 H new ATOM 0 HG11 VAL A 5 32.158 33.449 13.776 1.00 0.00 H new ATOM 0 HG12 VAL A 5 31.146 34.887 14.047 1.00 0.00 H new ATOM 0 HG13 VAL A 5 30.428 33.262 14.148 1.00 0.00 H new ATOM 0 HG21 VAL A 5 31.857 32.082 11.705 1.00 0.00 H new ATOM 0 HG22 VAL A 5 30.127 31.897 12.078 1.00 0.00 H new ATOM 0 HG23 VAL A 5 30.633 32.549 10.501 1.00 0.00 H new ATOM 92 N LYS A 6 28.583 36.309 13.327 1.00 0.00 N ATOM 93 CA LYS A 6 28.522 37.705 13.850 1.00 0.00 C ATOM 94 C LYS A 6 29.380 37.811 15.113 1.00 0.00 C ATOM 95 O LYS A 6 29.070 37.230 16.135 1.00 0.00 O ATOM 96 CB LYS A 6 27.071 38.055 14.184 1.00 0.00 C ATOM 97 CG LYS A 6 26.989 39.517 14.617 1.00 0.00 C ATOM 98 CD LYS A 6 25.523 39.917 14.793 1.00 0.00 C ATOM 99 CE LYS A 6 25.434 41.410 15.116 1.00 0.00 C ATOM 100 NZ LYS A 6 24.003 41.807 15.238 1.00 0.00 N ATOM 0 H LYS A 6 27.909 35.664 13.740 1.00 0.00 H new ATOM 0 HA LYS A 6 28.899 38.397 13.097 1.00 0.00 H new ATOM 0 HB2 LYS A 6 26.435 37.885 13.315 1.00 0.00 H new ATOM 0 HB3 LYS A 6 26.703 37.407 14.980 1.00 0.00 H new ATOM 0 HG2 LYS A 6 27.531 39.661 15.552 1.00 0.00 H new ATOM 0 HG3 LYS A 6 27.464 40.155 13.872 1.00 0.00 H new ATOM 0 HD2 LYS A 6 24.964 39.697 13.883 1.00 0.00 H new ATOM 0 HD3 LYS A 6 25.070 39.333 15.594 1.00 0.00 H new ATOM 0 HE2 LYS A 6 25.962 41.624 16.045 1.00 0.00 H new ATOM 0 HE3 LYS A 6 25.919 41.992 14.332 1.00 0.00 H new ATOM 0 HZ1 LYS A 6 23.942 42.822 15.458 1.00 0.00 H new ATOM 0 HZ2 LYS A 6 23.512 41.617 14.341 1.00 0.00 H new ATOM 0 HZ3 LYS A 6 23.555 41.260 16.001 1.00 0.00 H new ATOM 114 N THR A 7 30.466 38.543 15.048 1.00 0.00 N ATOM 115 CA THR A 7 31.348 38.683 16.249 1.00 0.00 C ATOM 116 C THR A 7 30.931 39.923 17.044 1.00 0.00 C ATOM 117 O THR A 7 30.376 40.860 16.507 1.00 0.00 O ATOM 118 CB THR A 7 32.801 38.832 15.796 1.00 0.00 C ATOM 119 OG1 THR A 7 33.129 37.773 14.906 1.00 0.00 O ATOM 120 CG2 THR A 7 33.726 38.781 17.014 1.00 0.00 C ATOM 0 H THR A 7 30.779 39.048 14.219 1.00 0.00 H new ATOM 0 HA THR A 7 31.252 37.798 16.879 1.00 0.00 H new ATOM 0 HB THR A 7 32.926 39.788 15.287 1.00 0.00 H new ATOM 0 HG1 THR A 7 32.904 38.035 13.989 1.00 0.00 H new ATOM 0 HG21 THR A 7 34.761 38.887 16.689 1.00 0.00 H new ATOM 0 HG22 THR A 7 33.474 39.593 17.696 1.00 0.00 H new ATOM 0 HG23 THR A 7 33.602 37.826 17.525 1.00 0.00 H new ATOM 128 N LEU A 8 31.191 39.933 18.323 1.00 0.00 N ATOM 129 CA LEU A 8 30.806 41.109 19.158 1.00 0.00 C ATOM 130 C LEU A 8 31.502 42.370 18.636 1.00 0.00 C ATOM 131 O LEU A 8 31.046 43.475 18.854 1.00 0.00 O ATOM 132 CB LEU A 8 31.232 40.861 20.611 1.00 0.00 C ATOM 133 CG LEU A 8 30.547 41.880 21.548 1.00 0.00 C ATOM 134 CD1 LEU A 8 29.152 41.383 21.946 1.00 0.00 C ATOM 135 CD2 LEU A 8 31.389 42.063 22.816 1.00 0.00 C ATOM 0 H LEU A 8 31.654 39.177 18.827 1.00 0.00 H new ATOM 0 HA LEU A 8 29.726 41.247 19.107 1.00 0.00 H new ATOM 0 HB2 LEU A 8 30.966 39.847 20.908 1.00 0.00 H new ATOM 0 HB3 LEU A 8 32.315 40.945 20.700 1.00 0.00 H new ATOM 0 HG LEU A 8 30.456 42.830 21.021 1.00 0.00 H new ATOM 0 HD11 LEU A 8 28.681 42.111 22.606 1.00 0.00 H new ATOM 0 HD12 LEU A 8 28.542 41.256 21.052 1.00 0.00 H new ATOM 0 HD13 LEU A 8 29.240 40.428 22.463 1.00 0.00 H new ATOM 0 HD21 LEU A 8 30.903 42.783 23.475 1.00 0.00 H new ATOM 0 HD22 LEU A 8 31.485 41.107 23.330 1.00 0.00 H new ATOM 0 HD23 LEU A 8 32.379 42.430 22.545 1.00 0.00 H new ATOM 147 N THR A 9 32.606 42.219 17.955 1.00 0.00 N ATOM 148 CA THR A 9 33.327 43.415 17.431 1.00 0.00 C ATOM 149 C THR A 9 32.667 43.883 16.132 1.00 0.00 C ATOM 150 O THR A 9 33.002 44.918 15.592 1.00 0.00 O ATOM 151 CB THR A 9 34.791 43.052 17.161 1.00 0.00 C ATOM 152 OG1 THR A 9 35.416 42.679 18.381 1.00 0.00 O ATOM 153 CG2 THR A 9 35.523 44.257 16.561 1.00 0.00 C ATOM 0 H THR A 9 33.039 41.321 17.739 1.00 0.00 H new ATOM 0 HA THR A 9 33.282 44.217 18.168 1.00 0.00 H new ATOM 0 HB THR A 9 34.832 42.220 16.458 1.00 0.00 H new ATOM 0 HG1 THR A 9 36.352 42.445 18.211 1.00 0.00 H new ATOM 0 HG21 THR A 9 36.563 43.993 16.371 1.00 0.00 H new ATOM 0 HG22 THR A 9 35.045 44.544 15.625 1.00 0.00 H new ATOM 0 HG23 THR A 9 35.482 45.092 17.260 1.00 0.00 H new ATOM 161 N GLY A 10 31.721 43.132 15.631 1.00 0.00 N ATOM 162 CA GLY A 10 31.028 43.534 14.370 1.00 0.00 C ATOM 163 C GLY A 10 31.692 42.857 13.172 1.00 0.00 C ATOM 164 O GLY A 10 31.302 43.065 12.040 1.00 0.00 O ATOM 0 H GLY A 10 31.398 42.256 16.041 1.00 0.00 H new ATOM 0 HA2 GLY A 10 29.975 43.255 14.419 1.00 0.00 H new ATOM 0 HA3 GLY A 10 31.066 44.617 14.254 1.00 0.00 H new ATOM 168 N LYS A 11 32.691 42.048 13.399 1.00 0.00 N ATOM 169 CA LYS A 11 33.364 41.369 12.258 1.00 0.00 C ATOM 170 C LYS A 11 32.462 40.258 11.713 1.00 0.00 C ATOM 171 O LYS A 11 32.189 39.277 12.384 1.00 0.00 O ATOM 172 CB LYS A 11 34.686 40.751 12.734 1.00 0.00 C ATOM 173 CG LYS A 11 35.671 41.855 13.157 1.00 0.00 C ATOM 174 CD LYS A 11 36.429 42.389 11.934 1.00 0.00 C ATOM 175 CE LYS A 11 37.495 43.387 12.392 1.00 0.00 C ATOM 176 NZ LYS A 11 38.420 42.719 13.350 1.00 0.00 N ATOM 0 H LYS A 11 33.068 41.829 14.321 1.00 0.00 H new ATOM 0 HA LYS A 11 33.560 42.100 11.474 1.00 0.00 H new ATOM 0 HB2 LYS A 11 34.500 40.080 13.572 1.00 0.00 H new ATOM 0 HB3 LYS A 11 35.123 40.151 11.936 1.00 0.00 H new ATOM 0 HG2 LYS A 11 35.130 42.668 13.642 1.00 0.00 H new ATOM 0 HG3 LYS A 11 36.377 41.461 13.888 1.00 0.00 H new ATOM 0 HD2 LYS A 11 36.895 41.565 11.393 1.00 0.00 H new ATOM 0 HD3 LYS A 11 35.736 42.871 11.245 1.00 0.00 H new ATOM 0 HE2 LYS A 11 38.052 43.761 11.533 1.00 0.00 H new ATOM 0 HE3 LYS A 11 37.023 44.248 12.865 1.00 0.00 H new ATOM 0 HZ1 LYS A 11 39.329 43.224 13.364 1.00 0.00 H new ATOM 0 HZ2 LYS A 11 38.002 42.732 14.302 1.00 0.00 H new ATOM 0 HZ3 LYS A 11 38.575 41.734 13.054 1.00 0.00 H new ATOM 190 N THR A 12 31.986 40.415 10.504 1.00 0.00 N ATOM 191 CA THR A 12 31.096 39.380 9.900 1.00 0.00 C ATOM 192 C THR A 12 31.927 38.462 9.000 1.00 0.00 C ATOM 193 O THR A 12 32.678 38.915 8.159 1.00 0.00 O ATOM 194 CB THR A 12 30.015 40.067 9.060 1.00 0.00 C ATOM 195 OG1 THR A 12 29.293 40.979 9.876 1.00 0.00 O ATOM 196 CG2 THR A 12 29.058 39.015 8.498 1.00 0.00 C ATOM 0 H THR A 12 32.177 41.220 9.907 1.00 0.00 H new ATOM 0 HA THR A 12 30.628 38.794 10.691 1.00 0.00 H new ATOM 0 HB THR A 12 30.482 40.607 8.236 1.00 0.00 H new ATOM 0 HG1 THR A 12 28.602 41.421 9.340 1.00 0.00 H new ATOM 0 HG21 THR A 12 28.289 39.505 7.900 1.00 0.00 H new ATOM 0 HG22 THR A 12 29.613 38.315 7.873 1.00 0.00 H new ATOM 0 HG23 THR A 12 28.589 38.474 9.320 1.00 0.00 H new ATOM 204 N ILE A 13 31.789 37.173 9.176 1.00 0.00 N ATOM 205 CA ILE A 13 32.559 36.193 8.339 1.00 0.00 C ATOM 206 C ILE A 13 31.588 35.181 7.748 1.00 0.00 C ATOM 207 O ILE A 13 30.660 34.759 8.401 1.00 0.00 O ATOM 208 CB ILE A 13 33.578 35.464 9.213 1.00 0.00 C ATOM 209 CG1 ILE A 13 34.317 36.489 10.077 1.00 0.00 C ATOM 210 CG2 ILE A 13 34.574 34.722 8.315 1.00 0.00 C ATOM 211 CD1 ILE A 13 35.516 35.826 10.755 1.00 0.00 C ATOM 0 H ILE A 13 31.171 36.750 9.869 1.00 0.00 H new ATOM 0 HA ILE A 13 33.080 36.720 7.540 1.00 0.00 H new ATOM 0 HB ILE A 13 33.073 34.745 9.857 1.00 0.00 H new ATOM 0 HG12 ILE A 13 34.652 37.324 9.461 1.00 0.00 H new ATOM 0 HG13 ILE A 13 33.642 36.898 10.829 1.00 0.00 H new ATOM 0 HG21 ILE A 13 35.303 34.200 8.934 1.00 0.00 H new ATOM 0 HG22 ILE A 13 34.039 34.000 7.698 1.00 0.00 H new ATOM 0 HG23 ILE A 13 35.088 35.437 7.673 1.00 0.00 H new ATOM 0 HD11 ILE A 13 36.039 36.560 11.369 1.00 0.00 H new ATOM 0 HD12 ILE A 13 35.170 35.006 11.385 1.00 0.00 H new ATOM 0 HD13 ILE A 13 36.195 35.439 9.996 1.00 0.00 H new ATOM 223 N THR A 14 31.788 34.784 6.515 1.00 0.00 N ATOM 224 CA THR A 14 30.863 33.795 5.873 1.00 0.00 C ATOM 225 C THR A 14 31.529 32.419 5.821 1.00 0.00 C ATOM 226 O THR A 14 32.672 32.288 5.430 1.00 0.00 O ATOM 227 CB THR A 14 30.539 34.256 4.448 1.00 0.00 C ATOM 228 OG1 THR A 14 29.545 33.407 3.893 1.00 0.00 O ATOM 229 CG2 THR A 14 31.800 34.200 3.582 1.00 0.00 C ATOM 0 H THR A 14 32.555 35.103 5.923 1.00 0.00 H new ATOM 0 HA THR A 14 29.945 33.728 6.457 1.00 0.00 H new ATOM 0 HB THR A 14 30.171 35.282 4.477 1.00 0.00 H new ATOM 0 HG1 THR A 14 28.677 33.860 3.918 1.00 0.00 H new ATOM 0 HG21 THR A 14 31.562 34.529 2.571 1.00 0.00 H new ATOM 0 HG22 THR A 14 32.562 34.854 4.006 1.00 0.00 H new ATOM 0 HG23 THR A 14 32.175 33.177 3.552 1.00 0.00 H new ATOM 237 N LEU A 15 30.815 31.395 6.218 1.00 0.00 N ATOM 238 CA LEU A 15 31.386 30.011 6.205 1.00 0.00 C ATOM 239 C LEU A 15 30.431 29.065 5.474 1.00 0.00 C ATOM 240 O LEU A 15 29.226 29.205 5.539 1.00 0.00 O ATOM 241 CB LEU A 15 31.558 29.511 7.644 1.00 0.00 C ATOM 242 CG LEU A 15 32.472 30.456 8.434 1.00 0.00 C ATOM 243 CD1 LEU A 15 32.381 30.110 9.921 1.00 0.00 C ATOM 244 CD2 LEU A 15 33.929 30.301 7.973 1.00 0.00 C ATOM 0 H LEU A 15 29.854 31.458 6.553 1.00 0.00 H new ATOM 0 HA LEU A 15 32.351 30.033 5.698 1.00 0.00 H new ATOM 0 HB2 LEU A 15 30.585 29.445 8.131 1.00 0.00 H new ATOM 0 HB3 LEU A 15 31.981 28.506 7.638 1.00 0.00 H new ATOM 0 HG LEU A 15 32.153 31.484 8.263 1.00 0.00 H new ATOM 0 HD11 LEU A 15 33.028 30.777 10.490 1.00 0.00 H new ATOM 0 HD12 LEU A 15 31.351 30.227 10.259 1.00 0.00 H new ATOM 0 HD13 LEU A 15 32.698 29.079 10.075 1.00 0.00 H new ATOM 0 HD21 LEU A 15 34.565 30.978 8.543 1.00 0.00 H new ATOM 0 HD22 LEU A 15 34.255 29.274 8.136 1.00 0.00 H new ATOM 0 HD23 LEU A 15 34.002 30.541 6.912 1.00 0.00 H new ATOM 256 N GLU A 16 30.975 28.080 4.807 1.00 0.00 N ATOM 257 CA GLU A 16 30.133 27.075 4.087 1.00 0.00 C ATOM 258 C GLU A 16 30.281 25.747 4.826 1.00 0.00 C ATOM 259 O GLU A 16 31.380 25.318 5.114 1.00 0.00 O ATOM 260 CB GLU A 16 30.631 26.922 2.647 1.00 0.00 C ATOM 261 CG GLU A 16 30.449 28.245 1.899 1.00 0.00 C ATOM 262 CD GLU A 16 30.928 28.084 0.455 1.00 0.00 C ATOM 263 OE1 GLU A 16 30.478 27.155 -0.197 1.00 0.00 O ATOM 264 OE2 GLU A 16 31.734 28.892 0.025 1.00 0.00 O ATOM 0 H GLU A 16 31.980 27.927 4.729 1.00 0.00 H new ATOM 0 HA GLU A 16 29.090 27.390 4.061 1.00 0.00 H new ATOM 0 HB2 GLU A 16 31.682 26.632 2.643 1.00 0.00 H new ATOM 0 HB3 GLU A 16 30.079 26.128 2.143 1.00 0.00 H new ATOM 0 HG2 GLU A 16 29.401 28.543 1.915 1.00 0.00 H new ATOM 0 HG3 GLU A 16 31.012 29.036 2.394 1.00 0.00 H new ATOM 271 N VAL A 17 29.196 25.091 5.147 1.00 0.00 N ATOM 272 CA VAL A 17 29.307 23.794 5.885 1.00 0.00 C ATOM 273 C VAL A 17 28.184 22.847 5.454 1.00 0.00 C ATOM 274 O VAL A 17 27.357 23.172 4.624 1.00 0.00 O ATOM 275 CB VAL A 17 29.215 24.053 7.404 1.00 0.00 C ATOM 276 CG1 VAL A 17 29.989 25.326 7.758 1.00 0.00 C ATOM 277 CG2 VAL A 17 27.749 24.222 7.833 1.00 0.00 C ATOM 0 H VAL A 17 28.245 25.392 4.933 1.00 0.00 H new ATOM 0 HA VAL A 17 30.267 23.333 5.653 1.00 0.00 H new ATOM 0 HB VAL A 17 29.645 23.199 7.927 1.00 0.00 H new ATOM 0 HG11 VAL A 17 29.922 25.506 8.831 1.00 0.00 H new ATOM 0 HG12 VAL A 17 31.035 25.207 7.475 1.00 0.00 H new ATOM 0 HG13 VAL A 17 29.562 26.173 7.221 1.00 0.00 H new ATOM 0 HG21 VAL A 17 27.703 24.404 8.907 1.00 0.00 H new ATOM 0 HG22 VAL A 17 27.310 25.067 7.303 1.00 0.00 H new ATOM 0 HG23 VAL A 17 27.193 23.315 7.594 1.00 0.00 H new ATOM 287 N GLU A 18 28.149 21.680 6.041 1.00 0.00 N ATOM 288 CA GLU A 18 27.089 20.679 5.722 1.00 0.00 C ATOM 289 C GLU A 18 26.227 20.490 6.978 1.00 0.00 C ATOM 290 O GLU A 18 26.686 20.699 8.082 1.00 0.00 O ATOM 291 CB GLU A 18 27.759 19.344 5.348 1.00 0.00 C ATOM 292 CG GLU A 18 28.143 19.343 3.863 1.00 0.00 C ATOM 293 CD GLU A 18 29.205 20.414 3.601 1.00 0.00 C ATOM 294 OE1 GLU A 18 28.826 21.531 3.292 1.00 0.00 O ATOM 295 OE2 GLU A 18 30.377 20.098 3.714 1.00 0.00 O ATOM 0 H GLU A 18 28.824 21.373 6.742 1.00 0.00 H new ATOM 0 HA GLU A 18 26.473 21.016 4.889 1.00 0.00 H new ATOM 0 HB2 GLU A 18 28.647 19.190 5.961 1.00 0.00 H new ATOM 0 HB3 GLU A 18 27.080 18.517 5.556 1.00 0.00 H new ATOM 0 HG2 GLU A 18 28.524 18.363 3.577 1.00 0.00 H new ATOM 0 HG3 GLU A 18 27.262 19.534 3.250 1.00 0.00 H new ATOM 302 N PRO A 19 24.994 20.087 6.827 1.00 0.00 N ATOM 303 CA PRO A 19 24.081 19.864 7.990 1.00 0.00 C ATOM 304 C PRO A 19 24.577 18.702 8.852 1.00 0.00 C ATOM 305 O PRO A 19 24.430 18.692 10.059 1.00 0.00 O ATOM 306 CB PRO A 19 22.739 19.521 7.328 1.00 0.00 C ATOM 307 CG PRO A 19 23.127 18.957 6.005 1.00 0.00 C ATOM 308 CD PRO A 19 24.321 19.787 5.554 1.00 0.00 C ATOM 0 HA PRO A 19 24.018 20.725 8.656 1.00 0.00 H new ATOM 0 HB2 PRO A 19 22.174 18.800 7.920 1.00 0.00 H new ATOM 0 HB3 PRO A 19 22.111 20.405 7.217 1.00 0.00 H new ATOM 0 HG2 PRO A 19 23.389 17.902 6.088 1.00 0.00 H new ATOM 0 HG3 PRO A 19 22.306 19.027 5.291 1.00 0.00 H new ATOM 0 HD2 PRO A 19 24.967 19.233 4.873 1.00 0.00 H new ATOM 0 HD3 PRO A 19 24.013 20.694 5.034 1.00 0.00 H new ATOM 316 N SER A 20 25.169 17.721 8.227 1.00 0.00 N ATOM 317 CA SER A 20 25.687 16.552 8.984 1.00 0.00 C ATOM 318 C SER A 20 27.079 16.876 9.519 1.00 0.00 C ATOM 319 O SER A 20 27.744 16.032 10.088 1.00 0.00 O ATOM 320 CB SER A 20 25.769 15.341 8.054 1.00 0.00 C ATOM 321 OG SER A 20 26.289 14.231 8.774 1.00 0.00 O ATOM 0 H SER A 20 25.316 17.681 7.218 1.00 0.00 H new ATOM 0 HA SER A 20 25.018 16.328 9.815 1.00 0.00 H new ATOM 0 HB2 SER A 20 24.781 15.103 7.660 1.00 0.00 H new ATOM 0 HB3 SER A 20 26.407 15.566 7.200 1.00 0.00 H new ATOM 0 HG SER A 20 26.869 14.552 9.496 1.00 0.00 H new ATOM 327 N ASP A 21 27.535 18.091 9.351 1.00 0.00 N ATOM 328 CA ASP A 21 28.891 18.440 9.865 1.00 0.00 C ATOM 329 C ASP A 21 28.855 18.442 11.396 1.00 0.00 C ATOM 330 O ASP A 21 27.853 18.782 12.005 1.00 0.00 O ATOM 331 CB ASP A 21 29.312 19.827 9.338 1.00 0.00 C ATOM 332 CG ASP A 21 30.842 19.926 9.275 1.00 0.00 C ATOM 333 OD1 ASP A 21 31.499 19.012 9.747 1.00 0.00 O ATOM 334 OD2 ASP A 21 31.329 20.917 8.758 1.00 0.00 O ATOM 0 H ASP A 21 27.033 18.847 8.886 1.00 0.00 H new ATOM 0 HA ASP A 21 29.618 17.705 9.520 1.00 0.00 H new ATOM 0 HB2 ASP A 21 28.888 19.992 8.347 1.00 0.00 H new ATOM 0 HB3 ASP A 21 28.916 20.607 9.988 1.00 0.00 H new ATOM 339 N THR A 22 29.937 18.061 12.026 1.00 0.00 N ATOM 340 CA THR A 22 29.968 18.034 13.518 1.00 0.00 C ATOM 341 C THR A 22 30.538 19.353 14.043 1.00 0.00 C ATOM 342 O THR A 22 31.318 20.007 13.381 1.00 0.00 O ATOM 343 CB THR A 22 30.856 16.880 13.991 1.00 0.00 C ATOM 344 OG1 THR A 22 32.154 17.024 13.432 1.00 0.00 O ATOM 345 CG2 THR A 22 30.251 15.549 13.546 1.00 0.00 C ATOM 0 H THR A 22 30.801 17.767 11.570 1.00 0.00 H new ATOM 0 HA THR A 22 28.955 17.896 13.896 1.00 0.00 H new ATOM 0 HB THR A 22 30.924 16.897 15.079 1.00 0.00 H new ATOM 0 HG1 THR A 22 32.724 16.287 13.735 1.00 0.00 H new ATOM 0 HG21 THR A 22 30.885 14.730 13.884 1.00 0.00 H new ATOM 0 HG22 THR A 22 29.256 15.439 13.977 1.00 0.00 H new ATOM 0 HG23 THR A 22 30.179 15.527 12.459 1.00 0.00 H new ATOM 353 N ILE A 23 30.164 19.750 15.229 1.00 0.00 N ATOM 354 CA ILE A 23 30.699 21.024 15.783 1.00 0.00 C ATOM 355 C ILE A 23 32.230 20.950 15.820 1.00 0.00 C ATOM 356 O ILE A 23 32.911 21.926 15.593 1.00 0.00 O ATOM 357 CB ILE A 23 30.164 21.244 17.207 1.00 0.00 C ATOM 358 CG1 ILE A 23 28.627 21.139 17.231 1.00 0.00 C ATOM 359 CG2 ILE A 23 30.582 22.633 17.697 1.00 0.00 C ATOM 360 CD1 ILE A 23 28.017 22.055 16.167 1.00 0.00 C ATOM 0 H ILE A 23 29.514 19.249 15.835 1.00 0.00 H new ATOM 0 HA ILE A 23 30.381 21.854 15.152 1.00 0.00 H new ATOM 0 HB ILE A 23 30.580 20.476 17.859 1.00 0.00 H new ATOM 0 HG12 ILE A 23 28.323 20.108 17.051 1.00 0.00 H new ATOM 0 HG13 ILE A 23 28.252 21.414 18.217 1.00 0.00 H new ATOM 0 HG21 ILE A 23 30.204 22.792 18.707 1.00 0.00 H new ATOM 0 HG22 ILE A 23 31.670 22.705 17.701 1.00 0.00 H new ATOM 0 HG23 ILE A 23 30.171 23.392 17.032 1.00 0.00 H new ATOM 0 HD11 ILE A 23 26.931 21.971 16.194 1.00 0.00 H new ATOM 0 HD12 ILE A 23 28.307 23.087 16.366 1.00 0.00 H new ATOM 0 HD13 ILE A 23 28.379 21.760 15.182 1.00 0.00 H new ATOM 372 N GLU A 24 32.774 19.800 16.106 1.00 0.00 N ATOM 373 CA GLU A 24 34.261 19.667 16.161 1.00 0.00 C ATOM 374 C GLU A 24 34.871 19.986 14.794 1.00 0.00 C ATOM 375 O GLU A 24 35.760 20.804 14.671 1.00 0.00 O ATOM 376 CB GLU A 24 34.617 18.228 16.537 1.00 0.00 C ATOM 377 CG GLU A 24 36.114 18.130 16.839 1.00 0.00 C ATOM 378 CD GLU A 24 36.456 16.701 17.266 1.00 0.00 C ATOM 379 OE1 GLU A 24 35.863 16.232 18.223 1.00 0.00 O ATOM 380 OE2 GLU A 24 37.305 16.101 16.628 1.00 0.00 O ATOM 0 H GLU A 24 32.255 18.945 16.304 1.00 0.00 H new ATOM 0 HA GLU A 24 34.655 20.363 16.901 1.00 0.00 H new ATOM 0 HB2 GLU A 24 34.039 17.916 17.407 1.00 0.00 H new ATOM 0 HB3 GLU A 24 34.356 17.553 15.722 1.00 0.00 H new ATOM 0 HG2 GLU A 24 36.692 18.406 15.957 1.00 0.00 H new ATOM 0 HG3 GLU A 24 36.383 18.831 17.629 1.00 0.00 H new ATOM 387 N ASN A 25 34.400 19.338 13.768 1.00 0.00 N ATOM 388 CA ASN A 25 34.951 19.590 12.401 1.00 0.00 C ATOM 389 C ASN A 25 34.689 21.043 11.992 1.00 0.00 C ATOM 390 O ASN A 25 35.510 21.683 11.353 1.00 0.00 O ATOM 391 CB ASN A 25 34.270 18.653 11.397 1.00 0.00 C ATOM 392 CG ASN A 25 34.897 18.837 10.014 1.00 0.00 C ATOM 393 OD1 ASN A 25 34.232 18.684 9.009 1.00 0.00 O ATOM 394 ND2 ASN A 25 36.157 19.162 9.917 1.00 0.00 N ATOM 0 H ASN A 25 33.655 18.642 13.813 1.00 0.00 H new ATOM 0 HA ASN A 25 36.025 19.406 12.409 1.00 0.00 H new ATOM 0 HB2 ASN A 25 34.377 17.618 11.721 1.00 0.00 H new ATOM 0 HB3 ASN A 25 33.202 18.865 11.354 1.00 0.00 H new ATOM 0 HD21 ASN A 25 36.582 19.287 8.998 1.00 0.00 H new ATOM 0 HD22 ASN A 25 36.717 19.291 10.760 1.00 0.00 H new ATOM 401 N VAL A 26 33.552 21.567 12.351 1.00 0.00 N ATOM 402 CA VAL A 26 33.226 22.971 11.983 1.00 0.00 C ATOM 403 C VAL A 26 34.099 23.933 12.792 1.00 0.00 C ATOM 404 O VAL A 26 34.420 25.017 12.344 1.00 0.00 O ATOM 405 CB VAL A 26 31.747 23.232 12.262 1.00 0.00 C ATOM 406 CG1 VAL A 26 31.407 24.683 11.926 1.00 0.00 C ATOM 407 CG2 VAL A 26 30.902 22.305 11.386 1.00 0.00 C ATOM 0 H VAL A 26 32.832 21.081 12.886 1.00 0.00 H new ATOM 0 HA VAL A 26 33.424 23.131 10.923 1.00 0.00 H new ATOM 0 HB VAL A 26 31.538 23.045 13.315 1.00 0.00 H new ATOM 0 HG11 VAL A 26 30.351 24.865 12.126 1.00 0.00 H new ATOM 0 HG12 VAL A 26 32.013 25.350 12.539 1.00 0.00 H new ATOM 0 HG13 VAL A 26 31.614 24.871 10.872 1.00 0.00 H new ATOM 0 HG21 VAL A 26 29.845 22.485 11.580 1.00 0.00 H new ATOM 0 HG22 VAL A 26 31.117 22.501 10.336 1.00 0.00 H new ATOM 0 HG23 VAL A 26 31.141 21.267 11.618 1.00 0.00 H new ATOM 417 N LYS A 27 34.513 23.538 13.968 1.00 0.00 N ATOM 418 CA LYS A 27 35.389 24.424 14.781 1.00 0.00 C ATOM 419 C LYS A 27 36.734 24.494 14.073 1.00 0.00 C ATOM 420 O LYS A 27 37.401 25.510 14.052 1.00 0.00 O ATOM 421 CB LYS A 27 35.570 23.835 16.190 1.00 0.00 C ATOM 422 CG LYS A 27 34.407 24.261 17.092 1.00 0.00 C ATOM 423 CD LYS A 27 34.567 23.608 18.468 1.00 0.00 C ATOM 424 CE LYS A 27 33.646 24.301 19.474 1.00 0.00 C ATOM 425 NZ LYS A 27 33.733 23.603 20.788 1.00 0.00 N ATOM 0 H LYS A 27 34.282 22.642 14.397 1.00 0.00 H new ATOM 0 HA LYS A 27 34.950 25.416 14.883 1.00 0.00 H new ATOM 0 HB2 LYS A 27 35.618 22.747 16.135 1.00 0.00 H new ATOM 0 HB3 LYS A 27 36.514 24.174 16.616 1.00 0.00 H new ATOM 0 HG2 LYS A 27 34.388 25.346 17.192 1.00 0.00 H new ATOM 0 HG3 LYS A 27 33.458 23.965 16.645 1.00 0.00 H new ATOM 0 HD2 LYS A 27 34.325 22.547 18.409 1.00 0.00 H new ATOM 0 HD3 LYS A 27 35.603 23.681 18.798 1.00 0.00 H new ATOM 0 HE2 LYS A 27 33.933 25.347 19.586 1.00 0.00 H new ATOM 0 HE3 LYS A 27 32.618 24.289 19.111 1.00 0.00 H new ATOM 0 HZ1 LYS A 27 32.912 23.859 21.372 1.00 0.00 H new ATOM 0 HZ2 LYS A 27 33.741 22.574 20.635 1.00 0.00 H new ATOM 0 HZ3 LYS A 27 34.607 23.888 21.275 1.00 0.00 H new ATOM 439 N ALA A 28 37.119 23.407 13.473 1.00 0.00 N ATOM 440 CA ALA A 28 38.401 23.374 12.735 1.00 0.00 C ATOM 441 C ALA A 28 38.338 24.423 11.623 1.00 0.00 C ATOM 442 O ALA A 28 39.169 25.304 11.536 1.00 0.00 O ATOM 443 CB ALA A 28 38.575 21.978 12.138 1.00 0.00 C ATOM 0 H ALA A 28 36.593 22.533 13.464 1.00 0.00 H new ATOM 0 HA ALA A 28 39.243 23.592 13.392 1.00 0.00 H new ATOM 0 HB1 ALA A 28 39.515 21.932 11.589 1.00 0.00 H new ATOM 0 HB2 ALA A 28 38.586 21.239 12.939 1.00 0.00 H new ATOM 0 HB3 ALA A 28 37.748 21.767 11.460 1.00 0.00 H new ATOM 449 N LYS A 29 37.356 24.321 10.768 1.00 0.00 N ATOM 450 CA LYS A 29 37.229 25.304 9.655 1.00 0.00 C ATOM 451 C LYS A 29 37.329 26.726 10.220 1.00 0.00 C ATOM 452 O LYS A 29 38.029 27.568 9.697 1.00 0.00 O ATOM 453 CB LYS A 29 35.867 25.130 8.976 1.00 0.00 C ATOM 454 CG LYS A 29 35.682 23.672 8.549 1.00 0.00 C ATOM 455 CD LYS A 29 34.287 23.493 7.946 1.00 0.00 C ATOM 456 CE LYS A 29 34.067 22.023 7.584 1.00 0.00 C ATOM 457 NZ LYS A 29 34.078 21.198 8.825 1.00 0.00 N ATOM 0 H LYS A 29 36.636 23.599 10.793 1.00 0.00 H new ATOM 0 HA LYS A 29 38.026 25.138 8.930 1.00 0.00 H new ATOM 0 HB2 LYS A 29 35.070 25.422 9.660 1.00 0.00 H new ATOM 0 HB3 LYS A 29 35.797 25.784 8.107 1.00 0.00 H new ATOM 0 HG2 LYS A 29 36.444 23.395 7.820 1.00 0.00 H new ATOM 0 HG3 LYS A 29 35.807 23.011 9.407 1.00 0.00 H new ATOM 0 HD2 LYS A 29 33.528 23.820 8.657 1.00 0.00 H new ATOM 0 HD3 LYS A 29 34.181 24.116 7.058 1.00 0.00 H new ATOM 0 HE2 LYS A 29 33.116 21.904 7.064 1.00 0.00 H new ATOM 0 HE3 LYS A 29 34.848 21.685 6.903 1.00 0.00 H new ATOM 0 HZ1 LYS A 29 33.912 20.201 8.581 1.00 0.00 H new ATOM 0 HZ2 LYS A 29 35.001 21.290 9.295 1.00 0.00 H new ATOM 0 HZ3 LYS A 29 33.329 21.527 9.467 1.00 0.00 H new ATOM 471 N ILE A 30 36.629 26.992 11.288 1.00 0.00 N ATOM 472 CA ILE A 30 36.679 28.360 11.888 1.00 0.00 C ATOM 473 C ILE A 30 38.114 28.691 12.299 1.00 0.00 C ATOM 474 O ILE A 30 38.584 29.795 12.103 1.00 0.00 O ATOM 475 CB ILE A 30 35.758 28.426 13.112 1.00 0.00 C ATOM 476 CG1 ILE A 30 34.302 28.378 12.642 1.00 0.00 C ATOM 477 CG2 ILE A 30 36.003 29.736 13.879 1.00 0.00 C ATOM 478 CD1 ILE A 30 33.377 28.191 13.845 1.00 0.00 C ATOM 0 H ILE A 30 36.026 26.326 11.771 1.00 0.00 H new ATOM 0 HA ILE A 30 36.341 29.087 11.150 1.00 0.00 H new ATOM 0 HB ILE A 30 35.965 27.582 13.770 1.00 0.00 H new ATOM 0 HG12 ILE A 30 34.049 29.299 12.116 1.00 0.00 H new ATOM 0 HG13 ILE A 30 34.165 27.560 11.935 1.00 0.00 H new ATOM 0 HG21 ILE A 30 35.346 29.777 14.748 1.00 0.00 H new ATOM 0 HG22 ILE A 30 37.042 29.777 14.207 1.00 0.00 H new ATOM 0 HG23 ILE A 30 35.796 30.584 13.226 1.00 0.00 H new ATOM 0 HD11 ILE A 30 32.342 28.157 13.506 1.00 0.00 H new ATOM 0 HD12 ILE A 30 33.623 27.258 14.352 1.00 0.00 H new ATOM 0 HD13 ILE A 30 33.506 29.024 14.536 1.00 0.00 H new ATOM 490 N GLN A 31 38.810 27.750 12.872 1.00 0.00 N ATOM 491 CA GLN A 31 40.212 28.014 13.303 1.00 0.00 C ATOM 492 C GLN A 31 41.111 28.190 12.078 1.00 0.00 C ATOM 493 O GLN A 31 41.931 29.083 12.019 1.00 0.00 O ATOM 494 CB GLN A 31 40.710 26.821 14.123 1.00 0.00 C ATOM 495 CG GLN A 31 42.133 27.086 14.620 1.00 0.00 C ATOM 496 CD GLN A 31 42.586 25.925 15.508 1.00 0.00 C ATOM 497 OE1 GLN A 31 41.958 24.884 15.535 1.00 0.00 O ATOM 498 NE2 GLN A 31 43.655 26.060 16.244 1.00 0.00 N ATOM 0 H GLN A 31 38.469 26.808 13.061 1.00 0.00 H new ATOM 0 HA GLN A 31 40.242 28.924 13.903 1.00 0.00 H new ATOM 0 HB2 GLN A 31 40.046 26.649 14.970 1.00 0.00 H new ATOM 0 HB3 GLN A 31 40.691 25.917 13.514 1.00 0.00 H new ATOM 0 HG2 GLN A 31 42.811 27.197 13.774 1.00 0.00 H new ATOM 0 HG3 GLN A 31 42.166 28.021 15.180 1.00 0.00 H new ATOM 0 HE21 GLN A 31 44.182 26.933 16.222 1.00 0.00 H new ATOM 0 HE22 GLN A 31 43.963 25.293 16.841 1.00 0.00 H new ATOM 507 N ASP A 32 40.978 27.327 11.113 1.00 0.00 N ATOM 508 CA ASP A 32 41.841 27.410 9.899 1.00 0.00 C ATOM 509 C ASP A 32 41.618 28.720 9.136 1.00 0.00 C ATOM 510 O ASP A 32 42.477 29.152 8.391 1.00 0.00 O ATOM 511 CB ASP A 32 41.521 26.232 8.976 1.00 0.00 C ATOM 512 CG ASP A 32 42.403 26.307 7.729 1.00 0.00 C ATOM 513 OD1 ASP A 32 43.607 26.428 7.886 1.00 0.00 O ATOM 514 OD2 ASP A 32 41.861 26.239 6.638 1.00 0.00 O ATOM 0 H ASP A 32 40.304 26.561 11.111 1.00 0.00 H new ATOM 0 HA ASP A 32 42.882 27.377 10.220 1.00 0.00 H new ATOM 0 HB2 ASP A 32 41.691 25.290 9.498 1.00 0.00 H new ATOM 0 HB3 ASP A 32 40.469 26.254 8.692 1.00 0.00 H new ATOM 519 N LYS A 33 40.484 29.361 9.292 1.00 0.00 N ATOM 520 CA LYS A 33 40.233 30.636 8.551 1.00 0.00 C ATOM 521 C LYS A 33 40.514 31.854 9.439 1.00 0.00 C ATOM 522 O LYS A 33 41.182 32.782 9.028 1.00 0.00 O ATOM 523 CB LYS A 33 38.775 30.661 8.102 1.00 0.00 C ATOM 524 CG LYS A 33 38.527 29.475 7.165 1.00 0.00 C ATOM 525 CD LYS A 33 37.079 29.494 6.650 1.00 0.00 C ATOM 526 CE LYS A 33 36.950 30.445 5.455 1.00 0.00 C ATOM 527 NZ LYS A 33 35.574 30.346 4.890 1.00 0.00 N ATOM 0 H LYS A 33 39.723 29.056 9.899 1.00 0.00 H new ATOM 0 HA LYS A 33 40.900 30.682 7.690 1.00 0.00 H new ATOM 0 HB2 LYS A 33 38.113 30.604 8.966 1.00 0.00 H new ATOM 0 HB3 LYS A 33 38.553 31.598 7.592 1.00 0.00 H new ATOM 0 HG2 LYS A 33 39.219 29.516 6.324 1.00 0.00 H new ATOM 0 HG3 LYS A 33 38.720 28.540 7.692 1.00 0.00 H new ATOM 0 HD2 LYS A 33 36.777 28.488 6.357 1.00 0.00 H new ATOM 0 HD3 LYS A 33 36.406 29.809 7.448 1.00 0.00 H new ATOM 0 HE2 LYS A 33 37.154 31.469 5.767 1.00 0.00 H new ATOM 0 HE3 LYS A 33 37.687 30.191 4.693 1.00 0.00 H new ATOM 0 HZ1 LYS A 33 35.630 30.239 3.857 1.00 0.00 H new ATOM 0 HZ2 LYS A 33 35.090 29.521 5.298 1.00 0.00 H new ATOM 0 HZ3 LYS A 33 35.041 31.209 5.120 1.00 0.00 H new ATOM 541 N GLU A 34 40.004 31.878 10.646 1.00 0.00 N ATOM 542 CA GLU A 34 40.246 33.063 11.528 1.00 0.00 C ATOM 543 C GLU A 34 41.565 32.881 12.286 1.00 0.00 C ATOM 544 O GLU A 34 42.238 33.836 12.618 1.00 0.00 O ATOM 545 CB GLU A 34 39.082 33.208 12.522 1.00 0.00 C ATOM 546 CG GLU A 34 38.984 34.662 12.999 1.00 0.00 C ATOM 547 CD GLU A 34 37.972 34.761 14.141 1.00 0.00 C ATOM 548 OE1 GLU A 34 37.556 33.723 14.629 1.00 0.00 O ATOM 549 OE2 GLU A 34 37.630 35.872 14.510 1.00 0.00 O ATOM 0 H GLU A 34 39.436 31.137 11.056 1.00 0.00 H new ATOM 0 HA GLU A 34 40.310 33.964 10.918 1.00 0.00 H new ATOM 0 HB2 GLU A 34 38.148 32.907 12.048 1.00 0.00 H new ATOM 0 HB3 GLU A 34 39.235 32.546 13.374 1.00 0.00 H new ATOM 0 HG2 GLU A 34 39.960 35.012 13.334 1.00 0.00 H new ATOM 0 HG3 GLU A 34 38.680 35.306 12.174 1.00 0.00 H new ATOM 556 N GLY A 35 41.952 31.661 12.539 1.00 0.00 N ATOM 557 CA GLY A 35 43.241 31.413 13.248 1.00 0.00 C ATOM 558 C GLY A 35 43.074 31.529 14.770 1.00 0.00 C ATOM 559 O GLY A 35 44.041 31.456 15.504 1.00 0.00 O ATOM 0 H GLY A 35 41.430 30.822 12.285 1.00 0.00 H new ATOM 0 HA2 GLY A 35 43.612 30.419 12.996 1.00 0.00 H new ATOM 0 HA3 GLY A 35 43.989 32.128 12.907 1.00 0.00 H new ATOM 563 N ILE A 36 41.874 31.699 15.265 1.00 0.00 N ATOM 564 CA ILE A 36 41.696 31.806 16.751 1.00 0.00 C ATOM 565 C ILE A 36 41.432 30.397 17.326 1.00 0.00 C ATOM 566 O ILE A 36 40.462 29.765 16.957 1.00 0.00 O ATOM 567 CB ILE A 36 40.500 32.710 17.057 1.00 0.00 C ATOM 568 CG1 ILE A 36 40.671 34.040 16.319 1.00 0.00 C ATOM 569 CG2 ILE A 36 40.431 32.978 18.565 1.00 0.00 C ATOM 570 CD1 ILE A 36 39.525 34.983 16.689 1.00 0.00 C ATOM 0 H ILE A 36 41.018 31.768 14.715 1.00 0.00 H new ATOM 0 HA ILE A 36 42.594 32.229 17.201 1.00 0.00 H new ATOM 0 HB ILE A 36 39.582 32.220 16.731 1.00 0.00 H new ATOM 0 HG12 ILE A 36 41.627 34.493 16.581 1.00 0.00 H new ATOM 0 HG13 ILE A 36 40.683 33.871 15.242 1.00 0.00 H new ATOM 0 HG21 ILE A 36 39.579 33.622 18.781 1.00 0.00 H new ATOM 0 HG22 ILE A 36 40.317 32.034 19.097 1.00 0.00 H new ATOM 0 HG23 ILE A 36 41.348 33.469 18.890 1.00 0.00 H new ATOM 0 HD11 ILE A 36 39.648 35.930 16.163 1.00 0.00 H new ATOM 0 HD12 ILE A 36 38.575 34.531 16.404 1.00 0.00 H new ATOM 0 HD13 ILE A 36 39.534 35.162 17.764 1.00 0.00 H new ATOM 582 N PRO A 37 42.270 29.888 18.216 1.00 0.00 N ATOM 583 CA PRO A 37 42.060 28.525 18.801 1.00 0.00 C ATOM 584 C PRO A 37 40.614 28.315 19.304 1.00 0.00 C ATOM 585 O PRO A 37 39.995 29.227 19.820 1.00 0.00 O ATOM 586 CB PRO A 37 43.046 28.478 19.978 1.00 0.00 C ATOM 587 CG PRO A 37 44.147 29.412 19.595 1.00 0.00 C ATOM 588 CD PRO A 37 43.498 30.518 18.752 1.00 0.00 C ATOM 0 HA PRO A 37 42.222 27.741 18.061 1.00 0.00 H new ATOM 0 HB2 PRO A 37 42.568 28.790 20.906 1.00 0.00 H new ATOM 0 HB3 PRO A 37 43.423 27.468 20.138 1.00 0.00 H new ATOM 0 HG2 PRO A 37 44.629 29.829 20.479 1.00 0.00 H new ATOM 0 HG3 PRO A 37 44.918 28.892 19.027 1.00 0.00 H new ATOM 0 HD2 PRO A 37 43.265 31.395 19.356 1.00 0.00 H new ATOM 0 HD3 PRO A 37 44.159 30.849 17.951 1.00 0.00 H new ATOM 596 N PRO A 38 40.075 27.122 19.162 1.00 0.00 N ATOM 597 CA PRO A 38 38.682 26.814 19.604 1.00 0.00 C ATOM 598 C PRO A 38 38.549 26.796 21.129 1.00 0.00 C ATOM 599 O PRO A 38 37.464 26.884 21.668 1.00 0.00 O ATOM 600 CB PRO A 38 38.416 25.429 19.009 1.00 0.00 C ATOM 601 CG PRO A 38 39.759 24.805 18.966 1.00 0.00 C ATOM 602 CD PRO A 38 40.718 25.928 18.583 1.00 0.00 C ATOM 0 HA PRO A 38 37.968 27.568 19.273 1.00 0.00 H new ATOM 0 HB2 PRO A 38 37.726 24.853 19.626 1.00 0.00 H new ATOM 0 HB3 PRO A 38 37.974 25.498 18.015 1.00 0.00 H new ATOM 0 HG2 PRO A 38 40.023 24.376 19.932 1.00 0.00 H new ATOM 0 HG3 PRO A 38 39.792 23.995 18.237 1.00 0.00 H new ATOM 0 HD2 PRO A 38 41.714 25.766 18.994 1.00 0.00 H new ATOM 0 HD3 PRO A 38 40.829 26.013 17.502 1.00 0.00 H new ATOM 610 N ASP A 39 39.643 26.678 21.831 1.00 0.00 N ATOM 611 CA ASP A 39 39.571 26.649 23.315 1.00 0.00 C ATOM 612 C ASP A 39 39.209 28.037 23.847 1.00 0.00 C ATOM 613 O ASP A 39 38.899 28.196 25.011 1.00 0.00 O ATOM 614 CB ASP A 39 40.928 26.227 23.883 1.00 0.00 C ATOM 615 CG ASP A 39 40.865 26.239 25.412 1.00 0.00 C ATOM 616 OD1 ASP A 39 41.066 27.298 25.985 1.00 0.00 O ATOM 617 OD2 ASP A 39 40.619 25.190 25.983 1.00 0.00 O ATOM 0 H ASP A 39 40.582 26.601 21.439 1.00 0.00 H new ATOM 0 HA ASP A 39 38.806 25.936 23.621 1.00 0.00 H new ATOM 0 HB2 ASP A 39 41.190 25.231 23.527 1.00 0.00 H new ATOM 0 HB3 ASP A 39 41.707 26.905 23.535 1.00 0.00 H new ATOM 622 N GLN A 40 39.243 29.048 23.007 1.00 0.00 N ATOM 623 CA GLN A 40 38.897 30.433 23.468 1.00 0.00 C ATOM 624 C GLN A 40 37.565 30.856 22.853 1.00 0.00 C ATOM 625 O GLN A 40 36.832 31.646 23.414 1.00 0.00 O ATOM 626 CB GLN A 40 39.987 31.402 23.007 1.00 0.00 C ATOM 627 CG GLN A 40 41.277 31.130 23.781 1.00 0.00 C ATOM 628 CD GLN A 40 42.354 32.128 23.345 1.00 0.00 C ATOM 629 OE1 GLN A 40 42.846 32.060 22.235 1.00 0.00 O ATOM 630 NE2 GLN A 40 42.740 33.058 24.175 1.00 0.00 N ATOM 0 H GLN A 40 39.496 28.973 22.022 1.00 0.00 H new ATOM 0 HA GLN A 40 38.821 30.447 24.555 1.00 0.00 H new ATOM 0 HB2 GLN A 40 40.162 31.286 21.937 1.00 0.00 H new ATOM 0 HB3 GLN A 40 39.665 32.431 23.168 1.00 0.00 H new ATOM 0 HG2 GLN A 40 41.096 31.218 24.852 1.00 0.00 H new ATOM 0 HG3 GLN A 40 41.615 30.110 23.598 1.00 0.00 H new ATOM 0 HE21 GLN A 40 42.327 33.114 25.106 1.00 0.00 H new ATOM 0 HE22 GLN A 40 43.455 33.729 23.893 1.00 0.00 H new ATOM 639 N GLN A 41 37.254 30.348 21.696 1.00 0.00 N ATOM 640 CA GLN A 41 35.977 30.732 21.033 1.00 0.00 C ATOM 641 C GLN A 41 34.828 29.856 21.535 1.00 0.00 C ATOM 642 O GLN A 41 34.958 28.655 21.650 1.00 0.00 O ATOM 643 CB GLN A 41 36.111 30.539 19.523 1.00 0.00 C ATOM 644 CG GLN A 41 37.151 31.514 18.975 1.00 0.00 C ATOM 645 CD GLN A 41 37.251 31.350 17.458 1.00 0.00 C ATOM 646 OE1 GLN A 41 36.631 32.080 16.713 1.00 0.00 O ATOM 647 NE2 GLN A 41 38.014 30.413 16.967 1.00 0.00 N ATOM 0 H GLN A 41 37.829 29.683 21.179 1.00 0.00 H new ATOM 0 HA GLN A 41 35.765 31.775 21.267 1.00 0.00 H new ATOM 0 HB2 GLN A 41 36.406 29.513 19.302 1.00 0.00 H new ATOM 0 HB3 GLN A 41 35.149 30.706 19.038 1.00 0.00 H new ATOM 0 HG2 GLN A 41 36.872 32.538 19.224 1.00 0.00 H new ATOM 0 HG3 GLN A 41 38.120 31.327 19.437 1.00 0.00 H new ATOM 0 HE21 GLN A 41 38.535 29.799 17.593 1.00 0.00 H new ATOM 0 HE22 GLN A 41 38.090 30.294 15.957 1.00 0.00 H new ATOM 656 N ARG A 42 33.695 30.458 21.796 1.00 0.00 N ATOM 657 CA ARG A 42 32.497 29.688 22.254 1.00 0.00 C ATOM 658 C ARG A 42 31.360 30.015 21.281 1.00 0.00 C ATOM 659 O ARG A 42 30.885 31.134 21.213 1.00 0.00 O ATOM 660 CB ARG A 42 32.116 30.079 23.690 1.00 0.00 C ATOM 661 CG ARG A 42 33.347 29.944 24.609 1.00 0.00 C ATOM 662 CD ARG A 42 33.592 28.467 25.006 1.00 0.00 C ATOM 663 NE ARG A 42 32.952 28.143 26.318 1.00 0.00 N ATOM 664 CZ ARG A 42 33.367 27.104 27.001 1.00 0.00 C ATOM 665 NH1 ARG A 42 32.776 26.780 28.114 1.00 0.00 N ATOM 666 NH2 ARG A 42 34.392 26.397 26.579 1.00 0.00 N ATOM 0 H ARG A 42 33.547 31.464 21.710 1.00 0.00 H new ATOM 0 HA ARG A 42 32.703 28.618 22.261 1.00 0.00 H new ATOM 0 HB2 ARG A 42 31.744 31.103 23.712 1.00 0.00 H new ATOM 0 HB3 ARG A 42 31.310 29.440 24.050 1.00 0.00 H new ATOM 0 HG2 ARG A 42 34.228 30.337 24.101 1.00 0.00 H new ATOM 0 HG3 ARG A 42 33.201 30.545 25.507 1.00 0.00 H new ATOM 0 HD2 ARG A 42 33.194 27.810 24.233 1.00 0.00 H new ATOM 0 HD3 ARG A 42 34.664 28.277 25.065 1.00 0.00 H new ATOM 0 HE ARG A 42 32.197 28.727 26.679 1.00 0.00 H new ATOM 0 HH11 ARG A 42 31.990 27.334 28.454 1.00 0.00 H new ATOM 0 HH12 ARG A 42 33.098 25.972 28.646 1.00 0.00 H new ATOM 0 HH21 ARG A 42 34.869 26.656 25.716 1.00 0.00 H new ATOM 0 HH22 ARG A 42 34.710 25.590 27.115 1.00 0.00 H new ATOM 680 N LEU A 43 30.956 29.052 20.498 1.00 0.00 N ATOM 681 CA LEU A 43 29.889 29.292 19.476 1.00 0.00 C ATOM 682 C LEU A 43 28.505 28.945 20.029 1.00 0.00 C ATOM 683 O LEU A 43 28.260 27.844 20.488 1.00 0.00 O ATOM 684 CB LEU A 43 30.174 28.414 18.254 1.00 0.00 C ATOM 685 CG LEU A 43 31.554 28.764 17.663 1.00 0.00 C ATOM 686 CD1 LEU A 43 32.106 27.568 16.884 1.00 0.00 C ATOM 687 CD2 LEU A 43 31.430 29.960 16.709 1.00 0.00 C ATOM 0 H LEU A 43 31.321 28.100 20.520 1.00 0.00 H new ATOM 0 HA LEU A 43 29.895 30.348 19.205 1.00 0.00 H new ATOM 0 HB2 LEU A 43 30.147 27.362 18.538 1.00 0.00 H new ATOM 0 HB3 LEU A 43 29.399 28.561 17.502 1.00 0.00 H new ATOM 0 HG LEU A 43 32.228 29.015 18.482 1.00 0.00 H new ATOM 0 HD11 LEU A 43 33.081 27.823 16.469 1.00 0.00 H new ATOM 0 HD12 LEU A 43 32.208 26.714 17.553 1.00 0.00 H new ATOM 0 HD13 LEU A 43 31.422 27.315 16.074 1.00 0.00 H new ATOM 0 HD21 LEU A 43 32.410 30.200 16.297 1.00 0.00 H new ATOM 0 HD22 LEU A 43 30.747 29.709 15.898 1.00 0.00 H new ATOM 0 HD23 LEU A 43 31.045 30.822 17.254 1.00 0.00 H new ATOM 699 N ILE A 44 27.594 29.891 19.982 1.00 0.00 N ATOM 700 CA ILE A 44 26.208 29.656 20.489 1.00 0.00 C ATOM 701 C ILE A 44 25.205 29.892 19.354 1.00 0.00 C ATOM 702 O ILE A 44 25.319 30.836 18.590 1.00 0.00 O ATOM 703 CB ILE A 44 25.920 30.629 21.633 1.00 0.00 C ATOM 704 CG1 ILE A 44 27.065 30.571 22.650 1.00 0.00 C ATOM 705 CG2 ILE A 44 24.606 30.240 22.315 1.00 0.00 C ATOM 706 CD1 ILE A 44 26.695 31.380 23.897 1.00 0.00 C ATOM 0 H ILE A 44 27.757 30.826 19.609 1.00 0.00 H new ATOM 0 HA ILE A 44 26.116 28.631 20.848 1.00 0.00 H new ATOM 0 HB ILE A 44 25.836 31.642 21.239 1.00 0.00 H new ATOM 0 HG12 ILE A 44 27.268 29.536 22.924 1.00 0.00 H new ATOM 0 HG13 ILE A 44 27.978 30.968 22.206 1.00 0.00 H new ATOM 0 HG21 ILE A 44 24.400 30.933 23.131 1.00 0.00 H new ATOM 0 HG22 ILE A 44 23.793 30.282 21.590 1.00 0.00 H new ATOM 0 HG23 ILE A 44 24.687 29.228 22.711 1.00 0.00 H new ATOM 0 HD11 ILE A 44 27.513 31.335 24.616 1.00 0.00 H new ATOM 0 HD12 ILE A 44 26.515 32.418 23.617 1.00 0.00 H new ATOM 0 HD13 ILE A 44 25.793 30.964 24.346 1.00 0.00 H new ATOM 718 N PHE A 45 24.214 29.042 19.247 1.00 0.00 N ATOM 719 CA PHE A 45 23.179 29.203 18.176 1.00 0.00 C ATOM 720 C PHE A 45 21.804 28.868 18.753 1.00 0.00 C ATOM 721 O PHE A 45 21.657 27.939 19.523 1.00 0.00 O ATOM 722 CB PHE A 45 23.479 28.258 17.010 1.00 0.00 C ATOM 723 CG PHE A 45 22.396 28.404 15.966 1.00 0.00 C ATOM 724 CD1 PHE A 45 22.470 29.431 15.018 1.00 0.00 C ATOM 725 CD2 PHE A 45 21.313 27.518 15.953 1.00 0.00 C ATOM 726 CE1 PHE A 45 21.461 29.573 14.057 1.00 0.00 C ATOM 727 CE2 PHE A 45 20.304 27.658 14.991 1.00 0.00 C ATOM 728 CZ PHE A 45 20.378 28.687 14.045 1.00 0.00 C ATOM 0 H PHE A 45 24.076 28.238 19.859 1.00 0.00 H new ATOM 0 HA PHE A 45 23.193 30.232 17.816 1.00 0.00 H new ATOM 0 HB2 PHE A 45 24.452 28.491 16.578 1.00 0.00 H new ATOM 0 HB3 PHE A 45 23.525 27.228 17.363 1.00 0.00 H new ATOM 0 HD1 PHE A 45 23.306 30.115 15.028 1.00 0.00 H new ATOM 0 HD2 PHE A 45 21.255 26.726 16.685 1.00 0.00 H new ATOM 0 HE1 PHE A 45 21.519 30.366 13.326 1.00 0.00 H new ATOM 0 HE2 PHE A 45 19.470 26.972 14.979 1.00 0.00 H new ATOM 0 HZ PHE A 45 19.599 28.797 13.305 1.00 0.00 H new ATOM 738 N ALA A 46 20.801 29.628 18.395 1.00 0.00 N ATOM 739 CA ALA A 46 19.426 29.378 18.925 1.00 0.00 C ATOM 740 C ALA A 46 19.402 29.668 20.427 1.00 0.00 C ATOM 741 O ALA A 46 18.353 29.721 21.039 1.00 0.00 O ATOM 742 CB ALA A 46 19.009 27.925 18.664 1.00 0.00 C ATOM 0 H ALA A 46 20.876 30.417 17.753 1.00 0.00 H new ATOM 0 HA ALA A 46 18.721 30.036 18.416 1.00 0.00 H new ATOM 0 HB1 ALA A 46 18.006 27.758 19.056 1.00 0.00 H new ATOM 0 HB2 ALA A 46 19.017 27.731 17.591 1.00 0.00 H new ATOM 0 HB3 ALA A 46 19.708 27.251 19.159 1.00 0.00 H new ATOM 748 N GLY A 47 20.554 29.863 21.022 1.00 0.00 N ATOM 749 CA GLY A 47 20.624 30.161 22.485 1.00 0.00 C ATOM 750 C GLY A 47 21.246 28.982 23.238 1.00 0.00 C ATOM 751 O GLY A 47 21.270 28.973 24.453 1.00 0.00 O ATOM 0 H GLY A 47 21.458 29.828 20.550 1.00 0.00 H new ATOM 0 HA2 GLY A 47 21.216 31.061 22.652 1.00 0.00 H new ATOM 0 HA3 GLY A 47 19.624 30.361 22.871 1.00 0.00 H new ATOM 755 N LYS A 48 21.769 27.993 22.539 1.00 0.00 N ATOM 756 CA LYS A 48 22.408 26.822 23.236 1.00 0.00 C ATOM 757 C LYS A 48 23.910 26.825 22.960 1.00 0.00 C ATOM 758 O LYS A 48 24.366 27.239 21.912 1.00 0.00 O ATOM 759 CB LYS A 48 21.823 25.485 22.720 1.00 0.00 C ATOM 760 CG LYS A 48 20.573 25.111 23.525 1.00 0.00 C ATOM 761 CD LYS A 48 19.473 26.154 23.308 1.00 0.00 C ATOM 762 CE LYS A 48 18.124 25.575 23.741 1.00 0.00 C ATOM 763 NZ LYS A 48 17.105 26.661 23.775 1.00 0.00 N ATOM 0 H LYS A 48 21.781 27.947 21.520 1.00 0.00 H new ATOM 0 HA LYS A 48 22.210 26.914 24.304 1.00 0.00 H new ATOM 0 HB2 LYS A 48 21.571 25.573 21.663 1.00 0.00 H new ATOM 0 HB3 LYS A 48 22.570 24.695 22.805 1.00 0.00 H new ATOM 0 HG2 LYS A 48 20.216 24.127 23.221 1.00 0.00 H new ATOM 0 HG3 LYS A 48 20.820 25.047 24.585 1.00 0.00 H new ATOM 0 HD2 LYS A 48 19.694 27.055 23.880 1.00 0.00 H new ATOM 0 HD3 LYS A 48 19.435 26.445 22.258 1.00 0.00 H new ATOM 0 HE2 LYS A 48 17.813 24.792 23.049 1.00 0.00 H new ATOM 0 HE3 LYS A 48 18.213 25.114 24.725 1.00 0.00 H new ATOM 0 HZ1 LYS A 48 16.188 26.268 24.069 1.00 0.00 H new ATOM 0 HZ2 LYS A 48 17.401 27.393 24.452 1.00 0.00 H new ATOM 0 HZ3 LYS A 48 17.014 27.081 22.828 1.00 0.00 H new ATOM 777 N GLN A 49 24.670 26.326 23.892 1.00 0.00 N ATOM 778 CA GLN A 49 26.137 26.248 23.696 1.00 0.00 C ATOM 779 C GLN A 49 26.435 24.987 22.905 1.00 0.00 C ATOM 780 O GLN A 49 26.163 23.883 23.337 1.00 0.00 O ATOM 781 CB GLN A 49 26.846 26.204 25.043 1.00 0.00 C ATOM 782 CG GLN A 49 28.364 26.220 24.840 1.00 0.00 C ATOM 783 CD GLN A 49 29.058 25.937 26.172 1.00 0.00 C ATOM 784 OE1 GLN A 49 28.738 24.979 26.847 1.00 0.00 O ATOM 785 NE2 GLN A 49 30.004 26.737 26.585 1.00 0.00 N ATOM 0 H GLN A 49 24.333 25.967 24.786 1.00 0.00 H new ATOM 0 HA GLN A 49 26.494 27.126 23.157 1.00 0.00 H new ATOM 0 HB2 GLN A 49 26.544 27.057 25.650 1.00 0.00 H new ATOM 0 HB3 GLN A 49 26.554 25.306 25.587 1.00 0.00 H new ATOM 0 HG2 GLN A 49 28.651 25.471 24.102 1.00 0.00 H new ATOM 0 HG3 GLN A 49 28.680 27.188 24.451 1.00 0.00 H new ATOM 0 HE21 GLN A 49 30.274 27.542 26.020 1.00 0.00 H new ATOM 0 HE22 GLN A 49 30.473 26.557 27.473 1.00 0.00 H new ATOM 794 N LEU A 50 26.966 25.147 21.740 1.00 0.00 N ATOM 795 CA LEU A 50 27.263 23.965 20.883 1.00 0.00 C ATOM 796 C LEU A 50 28.317 23.079 21.556 1.00 0.00 C ATOM 797 O LEU A 50 29.421 23.507 21.825 1.00 0.00 O ATOM 798 CB LEU A 50 27.776 24.453 19.526 1.00 0.00 C ATOM 799 CG LEU A 50 26.775 25.441 18.911 1.00 0.00 C ATOM 800 CD1 LEU A 50 27.296 25.904 17.547 1.00 0.00 C ATOM 801 CD2 LEU A 50 25.404 24.765 18.738 1.00 0.00 C ATOM 0 H LEU A 50 27.212 26.049 21.333 1.00 0.00 H new ATOM 0 HA LEU A 50 26.356 23.377 20.742 1.00 0.00 H new ATOM 0 HB2 LEU A 50 28.747 24.934 19.646 1.00 0.00 H new ATOM 0 HB3 LEU A 50 27.921 23.605 18.856 1.00 0.00 H new ATOM 0 HG LEU A 50 26.664 26.300 19.573 1.00 0.00 H new ATOM 0 HD11 LEU A 50 26.588 26.606 17.106 1.00 0.00 H new ATOM 0 HD12 LEU A 50 28.262 26.394 17.673 1.00 0.00 H new ATOM 0 HD13 LEU A 50 27.410 25.042 16.889 1.00 0.00 H new ATOM 0 HD21 LEU A 50 24.701 25.474 18.301 1.00 0.00 H new ATOM 0 HD22 LEU A 50 25.504 23.902 18.080 1.00 0.00 H new ATOM 0 HD23 LEU A 50 25.034 24.439 19.710 1.00 0.00 H new ATOM 813 N GLU A 51 27.985 21.837 21.822 1.00 0.00 N ATOM 814 CA GLU A 51 28.968 20.915 22.473 1.00 0.00 C ATOM 815 C GLU A 51 29.751 20.158 21.394 1.00 0.00 C ATOM 816 O GLU A 51 29.272 19.923 20.295 1.00 0.00 O ATOM 817 CB GLU A 51 28.243 19.922 23.386 1.00 0.00 C ATOM 818 CG GLU A 51 27.424 20.685 24.431 1.00 0.00 C ATOM 819 CD GLU A 51 28.356 21.230 25.516 1.00 0.00 C ATOM 820 OE1 GLU A 51 28.873 22.320 25.332 1.00 0.00 O ATOM 821 OE2 GLU A 51 28.534 20.550 26.513 1.00 0.00 O ATOM 0 H GLU A 51 27.076 21.423 21.616 1.00 0.00 H new ATOM 0 HA GLU A 51 29.659 21.502 23.078 1.00 0.00 H new ATOM 0 HB2 GLU A 51 27.589 19.280 22.795 1.00 0.00 H new ATOM 0 HB3 GLU A 51 28.966 19.272 23.880 1.00 0.00 H new ATOM 0 HG2 GLU A 51 26.883 21.504 23.957 1.00 0.00 H new ATOM 0 HG3 GLU A 51 26.678 20.026 24.875 1.00 0.00 H new ATOM 828 N ASP A 52 30.960 19.784 21.697 1.00 0.00 N ATOM 829 CA ASP A 52 31.802 19.066 20.699 1.00 0.00 C ATOM 830 C ASP A 52 31.220 17.689 20.373 1.00 0.00 C ATOM 831 O ASP A 52 30.785 16.959 21.242 1.00 0.00 O ATOM 832 CB ASP A 52 33.210 18.890 21.272 1.00 0.00 C ATOM 833 CG ASP A 52 33.816 20.263 21.569 1.00 0.00 C ATOM 834 OD1 ASP A 52 33.680 21.143 20.734 1.00 0.00 O ATOM 835 OD2 ASP A 52 34.405 20.413 22.627 1.00 0.00 O ATOM 0 H ASP A 52 31.406 19.945 22.600 1.00 0.00 H new ATOM 0 HA ASP A 52 31.830 19.654 19.782 1.00 0.00 H new ATOM 0 HB2 ASP A 52 33.171 18.293 22.183 1.00 0.00 H new ATOM 0 HB3 ASP A 52 33.837 18.349 20.563 1.00 0.00 H new ATOM 840 N GLY A 53 31.241 17.319 19.115 1.00 0.00 N ATOM 841 CA GLY A 53 30.729 15.975 18.706 1.00 0.00 C ATOM 842 C GLY A 53 29.268 16.050 18.266 1.00 0.00 C ATOM 843 O GLY A 53 28.724 15.092 17.756 1.00 0.00 O ATOM 0 H GLY A 53 31.593 17.895 18.350 1.00 0.00 H new ATOM 0 HA2 GLY A 53 31.337 15.584 17.890 1.00 0.00 H new ATOM 0 HA3 GLY A 53 30.825 15.278 19.538 1.00 0.00 H new ATOM 847 N ARG A 54 28.609 17.160 18.473 1.00 0.00 N ATOM 848 CA ARG A 54 27.171 17.242 18.078 1.00 0.00 C ATOM 849 C ARG A 54 27.027 17.562 16.590 1.00 0.00 C ATOM 850 O ARG A 54 27.976 17.925 15.934 1.00 0.00 O ATOM 851 CB ARG A 54 26.501 18.313 18.923 1.00 0.00 C ATOM 852 CG ARG A 54 26.389 17.810 20.375 1.00 0.00 C ATOM 853 CD ARG A 54 25.091 17.008 20.557 1.00 0.00 C ATOM 854 NE ARG A 54 23.945 17.941 20.293 1.00 0.00 N ATOM 855 CZ ARG A 54 22.958 18.033 21.133 1.00 0.00 C ATOM 856 NH1 ARG A 54 22.182 19.080 21.098 1.00 0.00 N ATOM 857 NH2 ARG A 54 22.684 17.044 21.947 1.00 0.00 N ATOM 0 H ARG A 54 28.998 18.004 18.893 1.00 0.00 H new ATOM 0 HA ARG A 54 26.691 16.278 18.249 1.00 0.00 H new ATOM 0 HB2 ARG A 54 27.079 19.236 18.888 1.00 0.00 H new ATOM 0 HB3 ARG A 54 25.512 18.541 18.526 1.00 0.00 H new ATOM 0 HG2 ARG A 54 27.249 17.186 20.619 1.00 0.00 H new ATOM 0 HG3 ARG A 54 26.403 18.655 21.063 1.00 0.00 H new ATOM 0 HD2 ARG A 54 25.063 16.162 19.870 1.00 0.00 H new ATOM 0 HD3 ARG A 54 25.030 16.601 21.566 1.00 0.00 H new ATOM 0 HE ARG A 54 23.941 18.509 19.445 1.00 0.00 H new ATOM 0 HH11 ARG A 54 22.352 19.818 20.415 1.00 0.00 H new ATOM 0 HH12 ARG A 54 21.405 19.161 21.754 1.00 0.00 H new ATOM 0 HH21 ARG A 54 23.247 16.194 21.924 1.00 0.00 H new ATOM 0 HH22 ARG A 54 21.907 17.124 22.604 1.00 0.00 H new ATOM 871 N THR A 55 25.834 17.404 16.050 1.00 0.00 N ATOM 872 CA THR A 55 25.609 17.666 14.588 1.00 0.00 C ATOM 873 C THR A 55 24.732 18.905 14.370 1.00 0.00 C ATOM 874 O THR A 55 23.832 19.191 15.133 1.00 0.00 O ATOM 875 CB THR A 55 24.895 16.456 13.993 1.00 0.00 C ATOM 876 OG1 THR A 55 25.600 15.273 14.347 1.00 0.00 O ATOM 877 CG2 THR A 55 24.843 16.591 12.473 1.00 0.00 C ATOM 0 H THR A 55 25.005 17.104 16.563 1.00 0.00 H new ATOM 0 HA THR A 55 26.573 17.839 14.110 1.00 0.00 H new ATOM 0 HB THR A 55 23.879 16.402 14.383 1.00 0.00 H new ATOM 0 HG1 THR A 55 25.143 14.494 13.968 1.00 0.00 H new ATOM 0 HG21 THR A 55 24.333 15.726 12.048 1.00 0.00 H new ATOM 0 HG22 THR A 55 24.302 17.499 12.207 1.00 0.00 H new ATOM 0 HG23 THR A 55 25.857 16.644 12.078 1.00 0.00 H new ATOM 885 N LEU A 56 25.000 19.637 13.318 1.00 0.00 N ATOM 886 CA LEU A 56 24.201 20.870 13.024 1.00 0.00 C ATOM 887 C LEU A 56 22.718 20.503 12.865 1.00 0.00 C ATOM 888 O LEU A 56 21.845 21.183 13.365 1.00 0.00 O ATOM 889 CB LEU A 56 24.721 21.514 11.720 1.00 0.00 C ATOM 890 CG LEU A 56 25.869 22.494 12.016 1.00 0.00 C ATOM 891 CD1 LEU A 56 27.089 21.732 12.527 1.00 0.00 C ATOM 892 CD2 LEU A 56 26.245 23.235 10.732 1.00 0.00 C ATOM 0 H LEU A 56 25.740 19.434 12.646 1.00 0.00 H new ATOM 0 HA LEU A 56 24.306 21.576 13.847 1.00 0.00 H new ATOM 0 HB2 LEU A 56 25.067 20.737 11.038 1.00 0.00 H new ATOM 0 HB3 LEU A 56 23.908 22.040 11.219 1.00 0.00 H new ATOM 0 HG LEU A 56 25.543 23.204 12.776 1.00 0.00 H new ATOM 0 HD11 LEU A 56 27.896 22.434 12.734 1.00 0.00 H new ATOM 0 HD12 LEU A 56 26.828 21.199 13.442 1.00 0.00 H new ATOM 0 HD13 LEU A 56 27.415 21.017 11.771 1.00 0.00 H new ATOM 0 HD21 LEU A 56 27.058 23.931 10.938 1.00 0.00 H new ATOM 0 HD22 LEU A 56 26.565 22.516 9.977 1.00 0.00 H new ATOM 0 HD23 LEU A 56 25.380 23.787 10.364 1.00 0.00 H new ATOM 904 N SER A 57 22.430 19.442 12.167 1.00 0.00 N ATOM 905 CA SER A 57 21.006 19.045 11.974 1.00 0.00 C ATOM 906 C SER A 57 20.333 18.888 13.339 1.00 0.00 C ATOM 907 O SER A 57 19.158 19.158 13.497 1.00 0.00 O ATOM 908 CB SER A 57 20.934 17.721 11.211 1.00 0.00 C ATOM 909 OG SER A 57 19.569 17.366 11.023 1.00 0.00 O ATOM 0 H SER A 57 23.116 18.833 11.722 1.00 0.00 H new ATOM 0 HA SER A 57 20.492 19.816 11.400 1.00 0.00 H new ATOM 0 HB2 SER A 57 21.434 17.815 10.247 1.00 0.00 H new ATOM 0 HB3 SER A 57 21.453 16.939 11.765 1.00 0.00 H new ATOM 0 HG SER A 57 19.516 16.519 10.533 1.00 0.00 H new ATOM 915 N ASP A 58 21.065 18.433 14.319 1.00 0.00 N ATOM 916 CA ASP A 58 20.466 18.236 15.667 1.00 0.00 C ATOM 917 C ASP A 58 19.878 19.558 16.159 1.00 0.00 C ATOM 918 O ASP A 58 19.035 19.587 17.034 1.00 0.00 O ATOM 919 CB ASP A 58 21.543 17.757 16.643 1.00 0.00 C ATOM 920 CG ASP A 58 20.885 17.333 17.957 1.00 0.00 C ATOM 921 OD1 ASP A 58 20.502 18.209 18.716 1.00 0.00 O ATOM 922 OD2 ASP A 58 20.773 16.139 18.183 1.00 0.00 O ATOM 0 H ASP A 58 22.053 18.189 14.243 1.00 0.00 H new ATOM 0 HA ASP A 58 19.676 17.487 15.608 1.00 0.00 H new ATOM 0 HB2 ASP A 58 22.093 16.920 16.213 1.00 0.00 H new ATOM 0 HB3 ASP A 58 22.265 18.553 16.825 1.00 0.00 H new ATOM 927 N TYR A 59 20.326 20.655 15.605 1.00 0.00 N ATOM 928 CA TYR A 59 19.813 21.993 16.032 1.00 0.00 C ATOM 929 C TYR A 59 18.832 22.543 14.990 1.00 0.00 C ATOM 930 O TYR A 59 18.371 23.660 15.102 1.00 0.00 O ATOM 931 CB TYR A 59 21.003 22.957 16.167 1.00 0.00 C ATOM 932 CG TYR A 59 21.655 22.786 17.521 1.00 0.00 C ATOM 933 CD1 TYR A 59 22.917 22.186 17.628 1.00 0.00 C ATOM 934 CD2 TYR A 59 21.001 23.249 18.668 1.00 0.00 C ATOM 935 CE1 TYR A 59 23.518 22.050 18.889 1.00 0.00 C ATOM 936 CE2 TYR A 59 21.599 23.108 19.922 1.00 0.00 C ATOM 937 CZ TYR A 59 22.858 22.509 20.033 1.00 0.00 C ATOM 938 OH TYR A 59 23.452 22.376 21.272 1.00 0.00 O ATOM 0 H TYR A 59 21.031 20.682 14.869 1.00 0.00 H new ATOM 0 HA TYR A 59 19.294 21.894 16.986 1.00 0.00 H new ATOM 0 HB2 TYR A 59 21.729 22.764 15.377 1.00 0.00 H new ATOM 0 HB3 TYR A 59 20.664 23.986 16.044 1.00 0.00 H new ATOM 0 HD1 TYR A 59 23.425 21.830 16.744 1.00 0.00 H new ATOM 0 HD2 TYR A 59 20.031 23.717 18.583 1.00 0.00 H new ATOM 0 HE1 TYR A 59 24.491 21.590 18.976 1.00 0.00 H new ATOM 0 HE2 TYR A 59 21.089 23.461 20.806 1.00 0.00 H new ATOM 0 HH TYR A 59 24.426 22.409 21.173 1.00 0.00 H new ATOM 948 N ASN A 60 18.504 21.783 13.981 1.00 0.00 N ATOM 949 CA ASN A 60 17.550 22.293 12.953 1.00 0.00 C ATOM 950 C ASN A 60 17.970 23.698 12.511 1.00 0.00 C ATOM 951 O ASN A 60 17.150 24.579 12.339 1.00 0.00 O ATOM 952 CB ASN A 60 16.140 22.338 13.545 1.00 0.00 C ATOM 953 CG ASN A 60 15.719 20.927 13.963 1.00 0.00 C ATOM 954 OD1 ASN A 60 15.719 20.019 13.156 1.00 0.00 O ATOM 955 ND2 ASN A 60 15.360 20.705 15.197 1.00 0.00 N ATOM 0 H ASN A 60 18.852 20.837 13.824 1.00 0.00 H new ATOM 0 HA ASN A 60 17.559 21.629 12.089 1.00 0.00 H new ATOM 0 HB2 ASN A 60 16.116 23.006 14.406 1.00 0.00 H new ATOM 0 HB3 ASN A 60 15.438 22.737 12.812 1.00 0.00 H new ATOM 0 HD21 ASN A 60 15.079 19.768 15.486 1.00 0.00 H new ATOM 0 HD22 ASN A 60 15.361 21.468 15.873 1.00 0.00 H new ATOM 962 N ILE A 61 19.244 23.911 12.328 1.00 0.00 N ATOM 963 CA ILE A 61 19.735 25.252 11.898 1.00 0.00 C ATOM 964 C ILE A 61 19.109 25.614 10.543 1.00 0.00 C ATOM 965 O ILE A 61 18.494 24.788 9.900 1.00 0.00 O ATOM 966 CB ILE A 61 21.266 25.195 11.788 1.00 0.00 C ATOM 967 CG1 ILE A 61 21.867 25.104 13.201 1.00 0.00 C ATOM 968 CG2 ILE A 61 21.796 26.451 11.088 1.00 0.00 C ATOM 969 CD1 ILE A 61 23.297 24.571 13.122 1.00 0.00 C ATOM 0 H ILE A 61 19.972 23.208 12.459 1.00 0.00 H new ATOM 0 HA ILE A 61 19.452 26.015 12.623 1.00 0.00 H new ATOM 0 HB ILE A 61 21.551 24.321 11.203 1.00 0.00 H new ATOM 0 HG12 ILE A 61 21.861 26.087 13.673 1.00 0.00 H new ATOM 0 HG13 ILE A 61 21.258 24.448 13.823 1.00 0.00 H new ATOM 0 HG21 ILE A 61 22.882 26.397 11.017 1.00 0.00 H new ATOM 0 HG22 ILE A 61 21.370 26.517 10.087 1.00 0.00 H new ATOM 0 HG23 ILE A 61 21.513 27.334 11.661 1.00 0.00 H new ATOM 0 HD11 ILE A 61 23.718 24.509 14.125 1.00 0.00 H new ATOM 0 HD12 ILE A 61 23.291 23.580 12.669 1.00 0.00 H new ATOM 0 HD13 ILE A 61 23.903 25.244 12.516 1.00 0.00 H new ATOM 981 N GLN A 62 19.256 26.848 10.113 1.00 0.00 N ATOM 982 CA GLN A 62 18.667 27.280 8.803 1.00 0.00 C ATOM 983 C GLN A 62 19.738 27.971 7.954 1.00 0.00 C ATOM 984 O GLN A 62 20.502 28.794 8.429 1.00 0.00 O ATOM 985 CB GLN A 62 17.512 28.247 9.070 1.00 0.00 C ATOM 986 CG GLN A 62 16.435 27.531 9.888 1.00 0.00 C ATOM 987 CD GLN A 62 15.246 28.467 10.109 1.00 0.00 C ATOM 988 OE1 GLN A 62 14.508 28.756 9.189 1.00 0.00 O ATOM 989 NE2 GLN A 62 15.027 28.954 11.300 1.00 0.00 N ATOM 0 H GLN A 62 19.761 27.577 10.616 1.00 0.00 H new ATOM 0 HA GLN A 62 18.298 26.409 8.262 1.00 0.00 H new ATOM 0 HB2 GLN A 62 17.873 29.123 9.609 1.00 0.00 H new ATOM 0 HB3 GLN A 62 17.094 28.602 8.128 1.00 0.00 H new ATOM 0 HG2 GLN A 62 16.109 26.630 9.368 1.00 0.00 H new ATOM 0 HG3 GLN A 62 16.844 27.215 10.848 1.00 0.00 H new ATOM 0 HE21 GLN A 62 15.647 28.711 12.072 1.00 0.00 H new ATOM 0 HE22 GLN A 62 14.236 29.578 11.458 1.00 0.00 H new ATOM 998 N LYS A 63 19.812 27.627 6.698 1.00 0.00 N ATOM 999 CA LYS A 63 20.840 28.235 5.811 1.00 0.00 C ATOM 1000 C LYS A 63 20.748 29.763 5.840 1.00 0.00 C ATOM 1001 O LYS A 63 19.694 30.339 6.029 1.00 0.00 O ATOM 1002 CB LYS A 63 20.639 27.737 4.376 1.00 0.00 C ATOM 1003 CG LYS A 63 19.228 28.085 3.890 1.00 0.00 C ATOM 1004 CD LYS A 63 19.067 27.621 2.440 1.00 0.00 C ATOM 1005 CE LYS A 63 17.661 27.963 1.942 1.00 0.00 C ATOM 1006 NZ LYS A 63 17.530 27.558 0.514 1.00 0.00 N ATOM 0 H LYS A 63 19.200 26.947 6.247 1.00 0.00 H new ATOM 0 HA LYS A 63 21.826 27.940 6.170 1.00 0.00 H new ATOM 0 HB2 LYS A 63 21.381 28.190 3.718 1.00 0.00 H new ATOM 0 HB3 LYS A 63 20.791 26.659 4.332 1.00 0.00 H new ATOM 0 HG2 LYS A 63 18.483 27.603 4.523 1.00 0.00 H new ATOM 0 HG3 LYS A 63 19.060 29.160 3.961 1.00 0.00 H new ATOM 0 HD2 LYS A 63 19.814 28.103 1.809 1.00 0.00 H new ATOM 0 HD3 LYS A 63 19.236 26.546 2.371 1.00 0.00 H new ATOM 0 HE2 LYS A 63 16.914 27.449 2.547 1.00 0.00 H new ATOM 0 HE3 LYS A 63 17.476 29.032 2.047 1.00 0.00 H new ATOM 0 HZ1 LYS A 63 16.575 27.790 0.174 1.00 0.00 H new ATOM 0 HZ2 LYS A 63 18.234 28.067 -0.057 1.00 0.00 H new ATOM 0 HZ3 LYS A 63 17.689 26.534 0.428 1.00 0.00 H new ATOM 1020 N GLU A 64 21.859 30.411 5.639 1.00 0.00 N ATOM 1021 CA GLU A 64 21.896 31.901 5.628 1.00 0.00 C ATOM 1022 C GLU A 64 21.595 32.462 7.023 1.00 0.00 C ATOM 1023 O GLU A 64 21.414 33.652 7.185 1.00 0.00 O ATOM 1024 CB GLU A 64 20.879 32.443 4.609 1.00 0.00 C ATOM 1025 CG GLU A 64 21.318 33.834 4.129 1.00 0.00 C ATOM 1026 CD GLU A 64 20.220 34.454 3.264 1.00 0.00 C ATOM 1027 OE1 GLU A 64 19.602 33.722 2.509 1.00 0.00 O ATOM 1028 OE2 GLU A 64 20.016 35.652 3.371 1.00 0.00 O ATOM 0 H GLU A 64 22.761 29.963 5.479 1.00 0.00 H new ATOM 0 HA GLU A 64 22.897 32.220 5.339 1.00 0.00 H new ATOM 0 HB2 GLU A 64 20.802 31.763 3.761 1.00 0.00 H new ATOM 0 HB3 GLU A 64 19.890 32.500 5.063 1.00 0.00 H new ATOM 0 HG2 GLU A 64 21.525 34.476 4.985 1.00 0.00 H new ATOM 0 HG3 GLU A 64 22.243 33.756 3.558 1.00 0.00 H new HETATM 1035 N SEP A 65 21.560 31.640 8.040 1.00 0.00 N HETATM 1036 CA SEP A 65 21.297 32.178 9.407 1.00 0.00 C HETATM 1037 CB SEP A 65 20.749 31.061 10.299 1.00 0.00 C HETATM 1038 OG SEP A 65 20.458 31.588 11.591 1.00 0.00 O HETATM 1039 C SEP A 65 22.617 32.699 9.986 1.00 0.00 C HETATM 1040 O SEP A 65 23.681 32.349 9.517 1.00 0.00 O HETATM 1041 P SEP A 65 19.110 32.280 11.871 1.00 0.00 P HETATM 1042 O1P SEP A 65 18.023 31.351 11.228 1.00 0.00 O HETATM 1043 O2P SEP A 65 19.007 32.362 13.432 1.00 0.00 O HETATM 1044 O3P SEP A 65 19.213 33.683 11.182 1.00 0.00 O HETATM 0 HB3 SEP A 65 19.848 30.636 9.856 1.00 0.00 H new HETATM 0 HB2 SEP A 65 21.477 30.254 10.379 1.00 0.00 H new HETATM 0 HA SEP A 65 20.566 32.985 9.359 1.00 0.00 H new HETATM 0 H SEP A 65 21.370 30.660 7.832 1.00 0.00 H new HETATM 1049 N TPO A 66 22.561 33.550 10.985 1.00 0.00 N HETATM 1050 CA TPO A 66 23.824 34.108 11.573 1.00 0.00 C HETATM 1051 CB TPO A 66 23.689 35.622 11.760 1.00 0.00 C HETATM 1052 CG2 TPO A 66 23.222 36.273 10.458 1.00 0.00 C HETATM 1053 OG1 TPO A 66 22.744 35.887 12.794 1.00 0.00 O HETATM 1054 P TPO A 66 22.893 37.135 13.685 1.00 0.00 P HETATM 1055 O1P TPO A 66 22.631 38.355 12.737 1.00 0.00 O HETATM 1056 O2P TPO A 66 21.809 36.974 14.804 1.00 0.00 O HETATM 1057 O3P TPO A 66 24.361 37.079 14.232 1.00 0.00 O HETATM 1058 C TPO A 66 24.112 33.479 12.936 1.00 0.00 C HETATM 1059 O TPO A 66 23.249 33.376 13.784 1.00 0.00 O HETATM 0 HG23 TPO A 66 23.949 36.074 9.670 1.00 0.00 H new HETATM 0 HG22 TPO A 66 22.254 35.861 10.172 1.00 0.00 H new HETATM 0 HG21 TPO A 66 23.129 37.349 10.602 1.00 0.00 H new HETATM 0 HB TPO A 66 24.659 36.037 12.034 1.00 0.00 H new HETATM 0 HA TPO A 66 24.641 33.882 10.888 1.00 0.00 H new HETATM 0 H TPO A 66 21.779 34.170 10.774 1.00 0.00 H new ATOM 1066 N LEU A 67 25.331 33.050 13.141 1.00 0.00 N ATOM 1067 CA LEU A 67 25.706 32.414 14.437 1.00 0.00 C ATOM 1068 C LEU A 67 26.261 33.489 15.374 1.00 0.00 C ATOM 1069 O LEU A 67 26.738 34.518 14.939 1.00 0.00 O ATOM 1070 CB LEU A 67 26.792 31.360 14.185 1.00 0.00 C ATOM 1071 CG LEU A 67 26.165 30.086 13.613 1.00 0.00 C ATOM 1072 CD1 LEU A 67 25.383 30.421 12.339 1.00 0.00 C ATOM 1073 CD2 LEU A 67 27.274 29.083 13.283 1.00 0.00 C ATOM 0 H LEU A 67 26.088 33.114 12.460 1.00 0.00 H new ATOM 0 HA LEU A 67 24.832 31.942 14.886 1.00 0.00 H new ATOM 0 HB2 LEU A 67 27.536 31.752 13.491 1.00 0.00 H new ATOM 0 HB3 LEU A 67 27.312 31.133 15.116 1.00 0.00 H new ATOM 0 HG LEU A 67 25.485 29.654 14.348 1.00 0.00 H new ATOM 0 HD11 LEU A 67 24.938 29.511 11.935 1.00 0.00 H new ATOM 0 HD12 LEU A 67 24.595 31.137 12.573 1.00 0.00 H new ATOM 0 HD13 LEU A 67 26.058 30.853 11.601 1.00 0.00 H new ATOM 0 HD21 LEU A 67 26.833 28.174 12.875 1.00 0.00 H new ATOM 0 HD22 LEU A 67 27.952 29.518 12.549 1.00 0.00 H new ATOM 0 HD23 LEU A 67 27.828 28.842 14.190 1.00 0.00 H new ATOM 1085 N HIS A 68 26.208 33.253 16.662 1.00 0.00 N ATOM 1086 CA HIS A 68 26.736 34.256 17.639 1.00 0.00 C ATOM 1087 C HIS A 68 28.099 33.797 18.141 1.00 0.00 C ATOM 1088 O HIS A 68 28.248 32.680 18.599 1.00 0.00 O ATOM 1089 CB HIS A 68 25.783 34.359 18.830 1.00 0.00 C ATOM 1090 CG HIS A 68 24.361 34.311 18.338 1.00 0.00 C ATOM 1091 ND1 HIS A 68 23.830 33.190 17.713 1.00 0.00 N ATOM 1092 CD2 HIS A 68 23.349 35.240 18.366 1.00 0.00 C ATOM 1093 CE1 HIS A 68 22.553 33.470 17.395 1.00 0.00 C ATOM 1094 NE2 HIS A 68 22.212 34.704 17.771 1.00 0.00 N ATOM 0 H HIS A 68 25.821 32.407 17.080 1.00 0.00 H new ATOM 0 HA HIS A 68 26.823 35.226 17.150 1.00 0.00 H new ATOM 0 HB2 HIS A 68 25.966 33.542 19.528 1.00 0.00 H new ATOM 0 HB3 HIS A 68 25.961 35.287 19.373 1.00 0.00 H new ATOM 0 HD2 HIS A 68 23.425 36.232 18.785 1.00 0.00 H new ATOM 0 HE1 HIS A 68 21.887 32.781 16.897 1.00 0.00 H new ATOM 0 HE2 HIS A 68 21.307 35.159 17.648 1.00 0.00 H new ATOM 1103 N LEU A 69 29.094 34.646 18.070 1.00 0.00 N ATOM 1104 CA LEU A 69 30.453 34.249 18.558 1.00 0.00 C ATOM 1105 C LEU A 69 30.777 35.013 19.848 1.00 0.00 C ATOM 1106 O LEU A 69 30.974 36.212 19.834 1.00 0.00 O ATOM 1107 CB LEU A 69 31.499 34.580 17.478 1.00 0.00 C ATOM 1108 CG LEU A 69 32.736 33.686 17.642 1.00 0.00 C ATOM 1109 CD1 LEU A 69 33.796 34.095 16.619 1.00 0.00 C ATOM 1110 CD2 LEU A 69 33.309 33.839 19.057 1.00 0.00 C ATOM 0 H LEU A 69 29.026 35.593 17.697 1.00 0.00 H new ATOM 0 HA LEU A 69 30.471 33.178 18.762 1.00 0.00 H new ATOM 0 HB2 LEU A 69 31.067 34.436 16.488 1.00 0.00 H new ATOM 0 HB3 LEU A 69 31.788 35.629 17.551 1.00 0.00 H new ATOM 0 HG LEU A 69 32.450 32.646 17.482 1.00 0.00 H new ATOM 0 HD11 LEU A 69 34.676 33.462 16.733 1.00 0.00 H new ATOM 0 HD12 LEU A 69 33.394 33.979 15.612 1.00 0.00 H new ATOM 0 HD13 LEU A 69 34.075 35.136 16.781 1.00 0.00 H new ATOM 0 HD21 LEU A 69 34.186 33.201 19.165 1.00 0.00 H new ATOM 0 HD22 LEU A 69 33.593 34.878 19.224 1.00 0.00 H new ATOM 0 HD23 LEU A 69 32.556 33.546 19.788 1.00 0.00 H new ATOM 1122 N VAL A 70 30.840 34.318 20.958 1.00 0.00 N ATOM 1123 CA VAL A 70 31.159 34.973 22.268 1.00 0.00 C ATOM 1124 C VAL A 70 32.481 34.395 22.796 1.00 0.00 C ATOM 1125 O VAL A 70 32.761 33.226 22.632 1.00 0.00 O ATOM 1126 CB VAL A 70 30.036 34.676 23.266 1.00 0.00 C ATOM 1127 CG1 VAL A 70 30.297 35.433 24.567 1.00 0.00 C ATOM 1128 CG2 VAL A 70 28.698 35.128 22.676 1.00 0.00 C ATOM 0 H VAL A 70 30.682 33.312 21.014 1.00 0.00 H new ATOM 0 HA VAL A 70 31.251 36.051 22.138 1.00 0.00 H new ATOM 0 HB VAL A 70 30.003 33.605 23.468 1.00 0.00 H new ATOM 0 HG11 VAL A 70 29.498 35.222 25.277 1.00 0.00 H new ATOM 0 HG12 VAL A 70 31.251 35.115 24.988 1.00 0.00 H new ATOM 0 HG13 VAL A 70 30.329 36.504 24.365 1.00 0.00 H new ATOM 0 HG21 VAL A 70 27.898 34.917 23.385 1.00 0.00 H new ATOM 0 HG22 VAL A 70 28.732 36.199 22.475 1.00 0.00 H new ATOM 0 HG23 VAL A 70 28.510 34.590 21.747 1.00 0.00 H new ATOM 1138 N LEU A 71 33.306 35.207 23.410 1.00 0.00 N ATOM 1139 CA LEU A 71 34.614 34.696 23.922 1.00 0.00 C ATOM 1140 C LEU A 71 34.394 33.960 25.265 1.00 0.00 C ATOM 1141 O LEU A 71 34.072 32.786 25.293 1.00 0.00 O ATOM 1142 CB LEU A 71 35.591 35.879 24.091 1.00 0.00 C ATOM 1143 CG LEU A 71 35.549 36.811 22.857 1.00 0.00 C ATOM 1144 CD1 LEU A 71 35.616 35.974 21.579 1.00 0.00 C ATOM 1145 CD2 LEU A 71 34.268 37.688 22.846 1.00 0.00 C ATOM 0 H LEU A 71 33.131 36.198 23.578 1.00 0.00 H new ATOM 0 HA LEU A 71 35.044 33.989 23.212 1.00 0.00 H new ATOM 0 HB2 LEU A 71 35.333 36.444 24.987 1.00 0.00 H new ATOM 0 HB3 LEU A 71 36.604 35.502 24.232 1.00 0.00 H new ATOM 0 HG LEU A 71 36.409 37.478 22.909 1.00 0.00 H new ATOM 0 HD11 LEU A 71 35.586 36.632 20.711 1.00 0.00 H new ATOM 0 HD12 LEU A 71 36.543 35.400 21.568 1.00 0.00 H new ATOM 0 HD13 LEU A 71 34.767 35.292 21.546 1.00 0.00 H new ATOM 0 HD21 LEU A 71 34.274 38.329 21.965 1.00 0.00 H new ATOM 0 HD22 LEU A 71 33.388 37.046 22.822 1.00 0.00 H new ATOM 0 HD23 LEU A 71 34.242 38.305 23.744 1.00 0.00 H new ATOM 1157 N ARG A 72 34.541 34.646 26.366 1.00 0.00 N ATOM 1158 CA ARG A 72 34.317 34.017 27.709 1.00 0.00 C ATOM 1159 C ARG A 72 34.177 35.145 28.760 1.00 0.00 C ATOM 1160 O ARG A 72 33.793 34.915 29.893 1.00 0.00 O ATOM 1161 CB ARG A 72 35.496 33.074 28.096 1.00 0.00 C ATOM 1162 CG ARG A 72 35.526 32.903 29.626 1.00 0.00 C ATOM 1163 CD ARG A 72 36.362 31.687 30.101 1.00 0.00 C ATOM 1164 NE ARG A 72 37.180 31.051 28.998 1.00 0.00 N ATOM 1165 CZ ARG A 72 38.388 30.573 29.268 1.00 0.00 C ATOM 1166 NH1 ARG A 72 38.971 29.743 28.447 1.00 0.00 N ATOM 1167 NH2 ARG A 72 39.052 30.972 30.327 1.00 0.00 N ATOM 0 H ARG A 72 34.810 35.629 26.397 1.00 0.00 H new ATOM 0 HA ARG A 72 33.410 33.413 27.674 1.00 0.00 H new ATOM 0 HB2 ARG A 72 35.376 32.105 27.612 1.00 0.00 H new ATOM 0 HB3 ARG A 72 36.441 33.490 27.746 1.00 0.00 H new ATOM 0 HG2 ARG A 72 35.931 33.809 30.076 1.00 0.00 H new ATOM 0 HG3 ARG A 72 34.505 32.795 29.991 1.00 0.00 H new ATOM 0 HD2 ARG A 72 37.030 32.005 30.901 1.00 0.00 H new ATOM 0 HD3 ARG A 72 35.692 30.938 30.524 1.00 0.00 H new ATOM 0 HE ARG A 72 36.805 30.990 28.052 1.00 0.00 H new ATOM 0 HH11 ARG A 72 38.498 29.457 27.590 1.00 0.00 H new ATOM 0 HH12 ARG A 72 39.900 29.380 28.662 1.00 0.00 H new ATOM 0 HH21 ARG A 72 38.640 31.660 30.958 1.00 0.00 H new ATOM 0 HH22 ARG A 72 39.980 30.594 30.520 1.00 0.00 H new ATOM 1181 N LEU A 73 34.484 36.358 28.402 1.00 0.00 N ATOM 1182 CA LEU A 73 34.365 37.460 29.395 1.00 0.00 C ATOM 1183 C LEU A 73 35.111 37.063 30.674 1.00 0.00 C ATOM 1184 O LEU A 73 36.158 36.444 30.628 1.00 0.00 O ATOM 1185 CB LEU A 73 32.890 37.710 29.731 1.00 0.00 C ATOM 1186 CG LEU A 73 32.079 37.910 28.444 1.00 0.00 C ATOM 1187 CD1 LEU A 73 30.589 37.983 28.798 1.00 0.00 C ATOM 1188 CD2 LEU A 73 32.508 39.212 27.749 1.00 0.00 C ATOM 0 H LEU A 73 34.809 36.633 27.475 1.00 0.00 H new ATOM 0 HA LEU A 73 34.795 38.369 28.975 1.00 0.00 H new ATOM 0 HB2 LEU A 73 32.490 36.867 30.294 1.00 0.00 H new ATOM 0 HB3 LEU A 73 32.799 38.590 30.367 1.00 0.00 H new ATOM 0 HG LEU A 73 32.259 37.074 27.768 1.00 0.00 H new ATOM 0 HD11 LEU A 73 30.005 38.125 27.888 1.00 0.00 H new ATOM 0 HD12 LEU A 73 30.284 37.056 29.283 1.00 0.00 H new ATOM 0 HD13 LEU A 73 30.416 38.820 29.474 1.00 0.00 H new ATOM 0 HD21 LEU A 73 31.927 39.346 26.836 1.00 0.00 H new ATOM 0 HD22 LEU A 73 32.334 40.056 28.417 1.00 0.00 H new ATOM 0 HD23 LEU A 73 33.568 39.159 27.500 1.00 0.00 H new ATOM 1200 N ARG A 74 34.577 37.401 31.819 1.00 0.00 N ATOM 1201 CA ARG A 74 35.259 37.021 33.092 1.00 0.00 C ATOM 1202 C ARG A 74 35.329 35.493 33.167 1.00 0.00 C ATOM 1203 O ARG A 74 36.234 34.929 33.746 1.00 0.00 O ATOM 1204 CB ARG A 74 34.451 37.514 34.303 1.00 0.00 C ATOM 1205 CG ARG A 74 34.528 39.047 34.428 1.00 0.00 C ATOM 1206 CD ARG A 74 33.399 39.596 35.368 1.00 0.00 C ATOM 1207 NE ARG A 74 33.979 40.435 36.483 1.00 0.00 N ATOM 1208 CZ ARG A 74 34.961 41.285 36.265 1.00 0.00 C ATOM 1209 NH1 ARG A 74 35.501 41.944 37.263 1.00 0.00 N ATOM 1210 NH2 ARG A 74 35.394 41.504 35.053 1.00 0.00 N ATOM 0 H ARG A 74 33.705 37.919 31.928 1.00 0.00 H new ATOM 0 HA ARG A 74 36.252 37.469 33.109 1.00 0.00 H new ATOM 0 HB2 ARG A 74 33.411 37.205 34.201 1.00 0.00 H new ATOM 0 HB3 ARG A 74 34.833 37.051 35.213 1.00 0.00 H new ATOM 0 HG2 ARG A 74 35.503 39.334 34.821 1.00 0.00 H new ATOM 0 HG3 ARG A 74 34.436 39.500 33.441 1.00 0.00 H new ATOM 0 HD2 ARG A 74 32.696 40.193 34.787 1.00 0.00 H new ATOM 0 HD3 ARG A 74 32.836 38.763 35.790 1.00 0.00 H new ATOM 0 HE ARG A 74 33.601 40.341 37.426 1.00 0.00 H new ATOM 0 HH11 ARG A 74 35.160 41.799 38.213 1.00 0.00 H new ATOM 0 HH12 ARG A 74 36.261 42.601 37.088 1.00 0.00 H new ATOM 0 HH21 ARG A 74 34.971 41.015 34.264 1.00 0.00 H new ATOM 0 HH22 ARG A 74 36.155 42.164 34.895 1.00 0.00 H new ATOM 1224 N GLY A 75 34.357 34.830 32.602 1.00 0.00 N ATOM 1225 CA GLY A 75 34.339 33.346 32.658 1.00 0.00 C ATOM 1226 C GLY A 75 34.223 32.898 34.117 1.00 0.00 C ATOM 1227 O GLY A 75 33.178 32.990 34.728 1.00 0.00 O ATOM 0 H GLY A 75 33.575 35.255 32.104 1.00 0.00 H new ATOM 0 HA2 GLY A 75 33.501 32.959 32.079 1.00 0.00 H new ATOM 0 HA3 GLY A 75 35.248 32.942 32.212 1.00 0.00 H new ATOM 1231 N GLY A 76 35.302 32.425 34.681 1.00 0.00 N ATOM 1232 CA GLY A 76 35.270 31.983 36.105 1.00 0.00 C ATOM 1233 C GLY A 76 36.664 31.512 36.533 1.00 0.00 C ATOM 1234 O GLY A 76 36.928 30.329 36.412 1.00 0.00 O ATOM 1235 OXT GLY A 76 37.439 32.345 36.975 1.00 0.00 O ATOM 0 H GLY A 76 36.205 32.326 34.217 1.00 0.00 H new ATOM 0 HA2 GLY A 76 34.941 32.804 36.743 1.00 0.00 H new ATOM 0 HA3 GLY A 76 34.549 31.175 36.229 1.00 0.00 H new TER 1239 GLY A 76