USER MOD reduce.3.24.130724 H: found=0, std=0, add=628, rem=0, adj=18 USER MOD reduce.3.24.130724 removed 629 hydrogens (4 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 65 SEP H : A 65 SEP N : A 64 GLU C :(H bumps) USER MOD Set 1.1: A 66 THR OG1 : rot -139:sc= -2.58! USER MOD Set 1.2: A 68 HIS : no HD1:sc= -3.34! C(o=-5.9!,f=-7.5!) USER MOD Set 2.1: A 55 THR OG1 : rot 117:sc= 0.945 USER MOD Set 2.2: A 57 SER OG : rot 180:sc= 0.818 USER MOD Set 3.1: A 7 THR OG1 : rot -43:sc= 0.475 USER MOD Set 3.2: A 9 THR OG1 : rot 180:sc= 0 USER MOD Single : A 1 MET CE :methyl -178:sc= -0.101 (180deg=-0.124) USER MOD Single : A 1 MET N :NH3+ 157:sc= 0.242 (180deg=-0.414) USER MOD Single : A 2 GLN : amide:sc= 0 X(o=0,f=-0.062) USER MOD Single : A 6 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 11 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 12 THR OG1 : rot 180:sc= 0 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 USER MOD Single : A 25 ASN :FLIP amide:sc= -0.104 F(o=-0.98,f=-0.1) USER MOD Single : A 27 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 29 LYS NZ :NH3+ 144:sc= 0.595 (180deg=0.519) USER MOD Single : A 31 GLN :FLIP amide:sc= 0 F(o=-1.1!,f=0) USER MOD Single : A 33 LYS NZ :NH3+ 141:sc= -3.17 (180deg=-6.95!) USER MOD Single : A 40 GLN :FLIP amide:sc= -0.131 F(o=-0.83,f=-0.13) USER MOD Single : A 41 GLN : amide:sc= -0.71 K(o=-0.71,f=-5.6!) USER MOD Single : A 48 LYS NZ :NH3+ 136:sc= -3.48! (180deg=-6.15!) USER MOD Single : A 49 GLN : amide:sc= 0 K(o=0,f=-1.4!) USER MOD Single : A 59 TYR OH : rot 180:sc= -0.268 USER MOD Single : A 60 ASN : amide:sc= -0.272 K(o=-0.27,f=-1.5) USER MOD Single : A 62 GLN : amide:sc= -0.409 X(o=-0.41,f=-0.19) USER MOD Single : A 63 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD ----------------------------------------------------------------- ATOM 1 N MET A 1 30.317 25.301 0.872 1.00 0.00 N ATOM 2 CA MET A 1 29.077 26.109 1.049 1.00 0.00 C ATOM 3 C MET A 1 29.416 27.417 1.755 1.00 0.00 C ATOM 4 O MET A 1 30.555 27.885 1.699 1.00 0.00 O ATOM 5 CB MET A 1 28.060 25.312 1.868 1.00 0.00 C ATOM 6 CG MET A 1 28.622 25.030 3.263 1.00 0.00 C ATOM 7 SD MET A 1 27.549 23.848 4.116 1.00 0.00 S ATOM 8 CE MET A 1 28.655 23.494 5.504 1.00 0.00 C ATOM 0 H1 MET A 1 30.065 24.298 0.765 1.00 0.00 H new ATOM 0 H2 MET A 1 30.823 25.624 0.023 1.00 0.00 H new ATOM 0 H3 MET A 1 30.929 25.417 1.705 1.00 0.00 H new ATOM 0 HA MET A 1 28.645 26.336 0.074 1.00 0.00 H new ATOM 0 HB2 MET A 1 27.127 25.870 1.948 1.00 0.00 H new ATOM 0 HB3 MET A 1 27.828 24.374 1.363 1.00 0.00 H new ATOM 0 HG2 MET A 1 29.633 24.630 3.186 1.00 0.00 H new ATOM 0 HG3 MET A 1 28.688 25.956 3.834 1.00 0.00 H new ATOM 0 HE1 MET A 1 28.198 22.746 6.152 1.00 0.00 H new ATOM 0 HE2 MET A 1 29.604 23.115 5.125 1.00 0.00 H new ATOM 0 HE3 MET A 1 28.829 24.408 6.072 1.00 0.00 H new ATOM 20 N GLN A 2 28.424 28.001 2.426 1.00 0.00 N ATOM 21 CA GLN A 2 28.623 29.254 3.150 1.00 0.00 C ATOM 22 C GLN A 2 27.743 29.302 4.398 1.00 0.00 C ATOM 23 O GLN A 2 26.518 29.384 4.303 1.00 0.00 O ATOM 24 CB GLN A 2 28.294 30.436 2.233 1.00 0.00 C ATOM 25 CG GLN A 2 27.089 30.080 1.362 1.00 0.00 C ATOM 26 CD GLN A 2 26.557 31.331 0.674 1.00 0.00 C ATOM 27 OE1 GLN A 2 26.173 32.291 1.342 1.00 0.00 O ATOM 28 NE2 GLN A 2 26.514 31.379 -0.629 1.00 0.00 N ATOM 0 H GLN A 2 27.477 27.627 2.483 1.00 0.00 H new ATOM 0 HA GLN A 2 29.666 29.316 3.462 1.00 0.00 H new ATOM 0 HB2 GLN A 2 28.078 31.323 2.828 1.00 0.00 H new ATOM 0 HB3 GLN A 2 29.153 30.674 1.606 1.00 0.00 H new ATOM 0 HG2 GLN A 2 27.375 29.338 0.616 1.00 0.00 H new ATOM 0 HG3 GLN A 2 26.307 29.631 1.974 1.00 0.00 H new ATOM 0 HE21 GLN A 2 26.833 30.582 -1.180 1.00 0.00 H new ATOM 0 HE22 GLN A 2 26.161 32.214 -1.097 1.00 0.00 H new ATOM 37 N ILE A 3 28.377 29.239 5.565 1.00 0.00 N ATOM 38 CA ILE A 3 27.646 29.273 6.832 1.00 0.00 C ATOM 39 C ILE A 3 27.694 30.671 7.448 1.00 0.00 C ATOM 40 O ILE A 3 28.668 31.402 7.282 1.00 0.00 O ATOM 41 CB ILE A 3 28.237 28.256 7.809 1.00 0.00 C ATOM 42 CG1 ILE A 3 29.704 28.596 8.105 1.00 0.00 C ATOM 43 CG2 ILE A 3 28.159 26.854 7.195 1.00 0.00 C ATOM 44 CD1 ILE A 3 30.220 27.708 9.240 1.00 0.00 C ATOM 0 H ILE A 3 29.390 29.165 5.662 1.00 0.00 H new ATOM 0 HA ILE A 3 26.606 29.016 6.632 1.00 0.00 H new ATOM 0 HB ILE A 3 27.668 28.287 8.738 1.00 0.00 H new ATOM 0 HG12 ILE A 3 30.309 28.448 7.211 1.00 0.00 H new ATOM 0 HG13 ILE A 3 29.795 29.646 8.382 1.00 0.00 H new ATOM 0 HG21 ILE A 3 28.580 26.128 7.891 1.00 0.00 H new ATOM 0 HG22 ILE A 3 27.118 26.602 6.994 1.00 0.00 H new ATOM 0 HG23 ILE A 3 28.724 26.833 6.263 1.00 0.00 H new ATOM 0 HD11 ILE A 3 31.262 27.952 9.448 1.00 0.00 H new ATOM 0 HD12 ILE A 3 29.622 27.878 10.135 1.00 0.00 H new ATOM 0 HD13 ILE A 3 30.144 26.661 8.946 1.00 0.00 H new ATOM 56 N PHE A 4 26.629 31.033 8.155 1.00 0.00 N ATOM 57 CA PHE A 4 26.540 32.349 8.790 1.00 0.00 C ATOM 58 C PHE A 4 26.965 32.270 10.251 1.00 0.00 C ATOM 59 O PHE A 4 26.421 31.472 11.014 1.00 0.00 O ATOM 60 CB PHE A 4 25.099 32.855 8.711 1.00 0.00 C ATOM 61 CG PHE A 4 24.729 33.129 7.272 1.00 0.00 C ATOM 62 CD1 PHE A 4 24.274 32.086 6.456 1.00 0.00 C ATOM 63 CD2 PHE A 4 24.836 34.425 6.757 1.00 0.00 C ATOM 64 CE1 PHE A 4 23.922 32.341 5.126 1.00 0.00 C ATOM 65 CE2 PHE A 4 24.485 34.680 5.425 1.00 0.00 C ATOM 66 CZ PHE A 4 24.029 33.638 4.610 1.00 0.00 C ATOM 0 H PHE A 4 25.815 30.437 8.304 1.00 0.00 H new ATOM 0 HA PHE A 4 27.206 33.035 8.266 1.00 0.00 H new ATOM 0 HB2 PHE A 4 24.421 32.115 9.136 1.00 0.00 H new ATOM 0 HB3 PHE A 4 24.990 33.764 9.303 1.00 0.00 H new ATOM 0 HD1 PHE A 4 24.195 31.085 6.853 1.00 0.00 H new ATOM 0 HD2 PHE A 4 25.189 35.229 7.386 1.00 0.00 H new ATOM 0 HE1 PHE A 4 23.568 31.537 4.498 1.00 0.00 H new ATOM 0 HE2 PHE A 4 24.566 35.681 5.027 1.00 0.00 H new ATOM 0 HZ PHE A 4 23.760 33.834 3.583 1.00 0.00 H new ATOM 76 N VAL A 5 27.923 33.117 10.654 1.00 0.00 N ATOM 77 CA VAL A 5 28.390 33.141 12.041 1.00 0.00 C ATOM 78 C VAL A 5 27.992 34.449 12.708 1.00 0.00 C ATOM 79 O VAL A 5 28.455 35.528 12.336 1.00 0.00 O ATOM 80 CB VAL A 5 29.911 32.967 12.089 1.00 0.00 C ATOM 81 CG1 VAL A 5 30.435 33.311 13.491 1.00 0.00 C ATOM 82 CG2 VAL A 5 30.239 31.507 11.780 1.00 0.00 C ATOM 0 H VAL A 5 28.385 33.789 10.041 1.00 0.00 H new ATOM 0 HA VAL A 5 27.924 32.317 12.581 1.00 0.00 H new ATOM 0 HB VAL A 5 30.380 33.629 11.361 1.00 0.00 H new ATOM 0 HG11 VAL A 5 31.517 33.185 13.516 1.00 0.00 H new ATOM 0 HG12 VAL A 5 30.185 34.345 13.729 1.00 0.00 H new ATOM 0 HG13 VAL A 5 29.975 32.648 14.224 1.00 0.00 H new ATOM 0 HG21 VAL A 5 31.319 31.363 11.809 1.00 0.00 H new ATOM 0 HG22 VAL A 5 29.767 30.863 12.522 1.00 0.00 H new ATOM 0 HG23 VAL A 5 29.866 31.252 10.788 1.00 0.00 H new ATOM 92 N LYS A 6 27.124 34.326 13.689 1.00 0.00 N ATOM 93 CA LYS A 6 26.631 35.483 14.427 1.00 0.00 C ATOM 94 C LYS A 6 27.499 35.754 15.658 1.00 0.00 C ATOM 95 O LYS A 6 27.463 35.003 16.632 1.00 0.00 O ATOM 96 CB LYS A 6 25.191 35.198 14.845 1.00 0.00 C ATOM 97 CG LYS A 6 24.465 36.494 15.189 1.00 0.00 C ATOM 98 CD LYS A 6 23.058 36.141 15.679 1.00 0.00 C ATOM 99 CE LYS A 6 22.343 37.394 16.181 1.00 0.00 C ATOM 100 NZ LYS A 6 20.958 37.035 16.602 1.00 0.00 N ATOM 0 H LYS A 6 26.740 33.434 14.000 1.00 0.00 H new ATOM 0 HA LYS A 6 26.673 36.370 13.795 1.00 0.00 H new ATOM 0 HB2 LYS A 6 24.667 34.685 14.038 1.00 0.00 H new ATOM 0 HB3 LYS A 6 25.182 34.530 15.706 1.00 0.00 H new ATOM 0 HG2 LYS A 6 25.009 37.041 15.959 1.00 0.00 H new ATOM 0 HG3 LYS A 6 24.411 37.143 14.315 1.00 0.00 H new ATOM 0 HD2 LYS A 6 22.486 35.687 14.869 1.00 0.00 H new ATOM 0 HD3 LYS A 6 23.118 35.403 16.479 1.00 0.00 H new ATOM 0 HE2 LYS A 6 22.889 37.828 17.019 1.00 0.00 H new ATOM 0 HE3 LYS A 6 22.313 38.149 15.395 1.00 0.00 H new ATOM 0 HZ1 LYS A 6 20.468 37.886 16.945 1.00 0.00 H new ATOM 0 HZ2 LYS A 6 20.440 36.640 15.791 1.00 0.00 H new ATOM 0 HZ3 LYS A 6 20.999 36.329 17.364 1.00 0.00 H new ATOM 114 N THR A 7 28.284 36.829 15.603 1.00 0.00 N ATOM 115 CA THR A 7 29.161 37.184 16.719 1.00 0.00 C ATOM 116 C THR A 7 28.337 37.722 17.883 1.00 0.00 C ATOM 117 O THR A 7 27.142 37.975 17.736 1.00 0.00 O ATOM 118 CB THR A 7 30.185 38.233 16.280 1.00 0.00 C ATOM 119 OG1 THR A 7 29.515 39.441 15.952 1.00 0.00 O ATOM 120 CG2 THR A 7 30.959 37.722 15.059 1.00 0.00 C ATOM 0 H THR A 7 28.331 37.464 14.806 1.00 0.00 H new ATOM 0 HA THR A 7 29.691 36.288 17.041 1.00 0.00 H new ATOM 0 HB THR A 7 30.885 38.418 17.095 1.00 0.00 H new ATOM 0 HG1 THR A 7 28.715 39.238 15.424 1.00 0.00 H new ATOM 0 HG21 THR A 7 31.687 38.472 14.750 1.00 0.00 H new ATOM 0 HG22 THR A 7 31.477 36.798 15.317 1.00 0.00 H new ATOM 0 HG23 THR A 7 30.264 37.532 14.241 1.00 0.00 H new ATOM 128 N LEU A 8 28.967 37.897 19.047 1.00 0.00 N ATOM 129 CA LEU A 8 28.252 38.403 20.215 1.00 0.00 C ATOM 130 C LEU A 8 28.128 39.922 20.169 1.00 0.00 C ATOM 131 O LEU A 8 27.190 40.491 20.727 1.00 0.00 O ATOM 132 CB LEU A 8 28.985 37.990 21.498 1.00 0.00 C ATOM 133 CG LEU A 8 28.038 38.123 22.711 1.00 0.00 C ATOM 134 CD1 LEU A 8 27.178 36.861 22.855 1.00 0.00 C ATOM 135 CD2 LEU A 8 28.858 38.318 23.993 1.00 0.00 C ATOM 0 H LEU A 8 29.955 37.699 19.203 1.00 0.00 H new ATOM 0 HA LEU A 8 27.250 37.973 20.208 1.00 0.00 H new ATOM 0 HB2 LEU A 8 29.337 36.962 21.411 1.00 0.00 H new ATOM 0 HB3 LEU A 8 29.865 38.617 21.642 1.00 0.00 H new ATOM 0 HG LEU A 8 27.391 38.985 22.552 1.00 0.00 H new ATOM 0 HD11 LEU A 8 26.515 36.968 23.714 1.00 0.00 H new ATOM 0 HD12 LEU A 8 26.583 36.721 21.953 1.00 0.00 H new ATOM 0 HD13 LEU A 8 27.824 35.995 23.001 1.00 0.00 H new ATOM 0 HD21 LEU A 8 28.185 38.411 24.845 1.00 0.00 H new ATOM 0 HD22 LEU A 8 29.513 37.459 24.140 1.00 0.00 H new ATOM 0 HD23 LEU A 8 29.460 39.222 23.906 1.00 0.00 H new ATOM 147 N THR A 9 29.078 40.578 19.510 1.00 0.00 N ATOM 148 CA THR A 9 29.049 42.033 19.418 1.00 0.00 C ATOM 149 C THR A 9 27.900 42.489 18.527 1.00 0.00 C ATOM 150 O THR A 9 27.658 43.684 18.375 1.00 0.00 O ATOM 151 CB THR A 9 30.372 42.556 18.851 1.00 0.00 C ATOM 152 OG1 THR A 9 30.564 42.036 17.544 1.00 0.00 O ATOM 153 CG2 THR A 9 31.526 42.117 19.754 1.00 0.00 C ATOM 0 H THR A 9 29.866 40.134 19.039 1.00 0.00 H new ATOM 0 HA THR A 9 28.903 42.434 20.421 1.00 0.00 H new ATOM 0 HB THR A 9 30.344 43.645 18.807 1.00 0.00 H new ATOM 0 HG1 THR A 9 31.410 42.371 17.180 1.00 0.00 H new ATOM 0 HG21 THR A 9 32.467 42.490 19.349 1.00 0.00 H new ATOM 0 HG22 THR A 9 31.377 42.519 20.756 1.00 0.00 H new ATOM 0 HG23 THR A 9 31.557 41.028 19.801 1.00 0.00 H new ATOM 161 N GLY A 10 27.186 41.528 17.947 1.00 0.00 N ATOM 162 CA GLY A 10 26.055 41.843 17.076 1.00 0.00 C ATOM 163 C GLY A 10 26.498 41.932 15.622 1.00 0.00 C ATOM 164 O GLY A 10 25.714 42.308 14.749 1.00 0.00 O ATOM 0 H GLY A 10 27.368 40.531 18.062 1.00 0.00 H new ATOM 0 HA2 GLY A 10 25.286 41.077 17.180 1.00 0.00 H new ATOM 0 HA3 GLY A 10 25.607 42.788 17.382 1.00 0.00 H new ATOM 168 N LYS A 11 27.748 41.557 15.359 1.00 0.00 N ATOM 169 CA LYS A 11 28.273 41.567 13.996 1.00 0.00 C ATOM 170 C LYS A 11 28.069 40.199 13.359 1.00 0.00 C ATOM 171 O LYS A 11 28.195 39.173 14.026 1.00 0.00 O ATOM 172 CB LYS A 11 29.762 41.925 14.002 1.00 0.00 C ATOM 173 CG LYS A 11 29.931 43.406 14.361 1.00 0.00 C ATOM 174 CD LYS A 11 31.418 43.773 14.347 1.00 0.00 C ATOM 175 CE LYS A 11 31.589 45.235 14.767 1.00 0.00 C ATOM 176 NZ LYS A 11 33.039 45.576 14.796 1.00 0.00 N ATOM 0 H LYS A 11 28.412 41.244 16.067 1.00 0.00 H new ATOM 0 HA LYS A 11 27.737 42.318 13.416 1.00 0.00 H new ATOM 0 HB2 LYS A 11 30.294 41.303 14.722 1.00 0.00 H new ATOM 0 HB3 LYS A 11 30.199 41.725 13.024 1.00 0.00 H new ATOM 0 HG2 LYS A 11 29.386 44.027 13.650 1.00 0.00 H new ATOM 0 HG3 LYS A 11 29.507 43.602 15.346 1.00 0.00 H new ATOM 0 HD2 LYS A 11 31.970 43.122 15.025 1.00 0.00 H new ATOM 0 HD3 LYS A 11 31.832 43.619 13.350 1.00 0.00 H new ATOM 0 HE2 LYS A 11 31.064 45.889 14.070 1.00 0.00 H new ATOM 0 HE3 LYS A 11 31.147 45.396 15.750 1.00 0.00 H new ATOM 0 HZ1 LYS A 11 33.156 46.569 15.081 1.00 0.00 H new ATOM 0 HZ2 LYS A 11 33.527 44.960 15.477 1.00 0.00 H new ATOM 0 HZ3 LYS A 11 33.447 45.437 13.850 1.00 0.00 H new ATOM 190 N THR A 12 27.748 40.185 12.072 1.00 0.00 N ATOM 191 CA THR A 12 27.522 38.929 11.353 1.00 0.00 C ATOM 192 C THR A 12 28.455 38.828 10.153 1.00 0.00 C ATOM 193 O THR A 12 28.502 39.727 9.316 1.00 0.00 O ATOM 194 CB THR A 12 26.073 38.873 10.875 1.00 0.00 C ATOM 195 OG1 THR A 12 25.206 38.903 12.000 1.00 0.00 O ATOM 196 CG2 THR A 12 25.842 37.583 10.084 1.00 0.00 C ATOM 0 H THR A 12 27.637 41.024 11.502 1.00 0.00 H new ATOM 0 HA THR A 12 27.723 38.096 12.026 1.00 0.00 H new ATOM 0 HB THR A 12 25.868 39.730 10.233 1.00 0.00 H new ATOM 0 HG1 THR A 12 24.275 38.869 11.696 1.00 0.00 H new ATOM 0 HG21 THR A 12 24.807 37.545 9.744 1.00 0.00 H new ATOM 0 HG22 THR A 12 26.508 37.561 9.222 1.00 0.00 H new ATOM 0 HG23 THR A 12 26.046 36.723 10.722 1.00 0.00 H new ATOM 204 N ILE A 13 29.188 37.718 10.065 1.00 0.00 N ATOM 205 CA ILE A 13 30.113 37.500 8.951 1.00 0.00 C ATOM 206 C ILE A 13 29.987 36.072 8.443 1.00 0.00 C ATOM 207 O ILE A 13 29.885 35.129 9.226 1.00 0.00 O ATOM 208 CB ILE A 13 31.552 37.759 9.396 1.00 0.00 C ATOM 209 CG1 ILE A 13 31.845 36.960 10.673 1.00 0.00 C ATOM 210 CG2 ILE A 13 31.741 39.255 9.657 1.00 0.00 C ATOM 211 CD1 ILE A 13 33.210 37.357 11.228 1.00 0.00 C ATOM 0 H ILE A 13 29.160 36.960 10.747 1.00 0.00 H new ATOM 0 HA ILE A 13 29.859 38.193 8.149 1.00 0.00 H new ATOM 0 HB ILE A 13 32.242 37.443 8.613 1.00 0.00 H new ATOM 0 HG12 ILE A 13 31.071 37.148 11.417 1.00 0.00 H new ATOM 0 HG13 ILE A 13 31.826 35.892 10.457 1.00 0.00 H new ATOM 0 HG21 ILE A 13 32.767 39.442 9.975 1.00 0.00 H new ATOM 0 HG22 ILE A 13 31.537 39.812 8.743 1.00 0.00 H new ATOM 0 HG23 ILE A 13 31.054 39.577 10.440 1.00 0.00 H new ATOM 0 HD11 ILE A 13 33.414 36.787 12.135 1.00 0.00 H new ATOM 0 HD12 ILE A 13 33.980 37.146 10.486 1.00 0.00 H new ATOM 0 HD13 ILE A 13 33.213 38.422 11.460 1.00 0.00 H new ATOM 223 N THR A 14 29.957 35.928 7.122 1.00 0.00 N ATOM 224 CA THR A 14 29.801 34.610 6.511 1.00 0.00 C ATOM 225 C THR A 14 31.133 33.866 6.450 1.00 0.00 C ATOM 226 O THR A 14 32.197 34.464 6.295 1.00 0.00 O ATOM 227 CB THR A 14 29.221 34.760 5.102 1.00 0.00 C ATOM 228 OG1 THR A 14 28.064 35.584 5.163 1.00 0.00 O ATOM 229 CG2 THR A 14 28.836 33.382 4.546 1.00 0.00 C ATOM 0 H THR A 14 30.038 36.698 6.458 1.00 0.00 H new ATOM 0 HA THR A 14 29.118 34.026 7.128 1.00 0.00 H new ATOM 0 HB THR A 14 29.967 35.213 4.448 1.00 0.00 H new ATOM 0 HG1 THR A 14 27.687 35.686 4.264 1.00 0.00 H new ATOM 0 HG21 THR A 14 28.424 33.496 3.543 1.00 0.00 H new ATOM 0 HG22 THR A 14 29.720 32.746 4.505 1.00 0.00 H new ATOM 0 HG23 THR A 14 28.090 32.923 5.195 1.00 0.00 H new ATOM 237 N LEU A 15 31.042 32.546 6.602 1.00 0.00 N ATOM 238 CA LEU A 15 32.212 31.669 6.597 1.00 0.00 C ATOM 239 C LEU A 15 32.107 30.633 5.474 1.00 0.00 C ATOM 240 O LEU A 15 31.095 29.944 5.343 1.00 0.00 O ATOM 241 CB LEU A 15 32.288 30.945 7.967 1.00 0.00 C ATOM 242 CG LEU A 15 33.696 31.039 8.577 1.00 0.00 C ATOM 243 CD1 LEU A 15 33.892 32.420 9.204 1.00 0.00 C ATOM 244 CD2 LEU A 15 33.848 29.965 9.662 1.00 0.00 C ATOM 0 H LEU A 15 30.157 32.055 6.732 1.00 0.00 H new ATOM 0 HA LEU A 15 33.110 32.264 6.429 1.00 0.00 H new ATOM 0 HB2 LEU A 15 31.563 31.384 8.653 1.00 0.00 H new ATOM 0 HB3 LEU A 15 32.014 29.897 7.842 1.00 0.00 H new ATOM 0 HG LEU A 15 34.442 30.885 7.797 1.00 0.00 H new ATOM 0 HD11 LEU A 15 34.891 32.485 9.636 1.00 0.00 H new ATOM 0 HD12 LEU A 15 33.777 33.187 8.438 1.00 0.00 H new ATOM 0 HD13 LEU A 15 33.148 32.574 9.986 1.00 0.00 H new ATOM 0 HD21 LEU A 15 34.845 30.027 10.098 1.00 0.00 H new ATOM 0 HD22 LEU A 15 33.101 30.125 10.440 1.00 0.00 H new ATOM 0 HD23 LEU A 15 33.706 28.979 9.220 1.00 0.00 H new ATOM 256 N GLU A 16 33.173 30.504 4.696 1.00 0.00 N ATOM 257 CA GLU A 16 33.207 29.515 3.616 1.00 0.00 C ATOM 258 C GLU A 16 33.939 28.275 4.116 1.00 0.00 C ATOM 259 O GLU A 16 35.094 28.361 4.533 1.00 0.00 O ATOM 260 CB GLU A 16 33.932 30.081 2.390 1.00 0.00 C ATOM 261 CG GLU A 16 33.095 31.201 1.769 1.00 0.00 C ATOM 262 CD GLU A 16 33.820 31.784 0.561 1.00 0.00 C ATOM 263 OE1 GLU A 16 34.727 31.134 0.068 1.00 0.00 O ATOM 264 OE2 GLU A 16 33.460 32.873 0.147 1.00 0.00 O ATOM 0 H GLU A 16 34.021 31.064 4.787 1.00 0.00 H new ATOM 0 HA GLU A 16 32.188 29.262 3.325 1.00 0.00 H new ATOM 0 HB2 GLU A 16 34.911 30.463 2.678 1.00 0.00 H new ATOM 0 HB3 GLU A 16 34.101 29.291 1.658 1.00 0.00 H new ATOM 0 HG2 GLU A 16 32.121 30.815 1.468 1.00 0.00 H new ATOM 0 HG3 GLU A 16 32.913 31.983 2.507 1.00 0.00 H new ATOM 271 N VAL A 17 33.273 27.124 4.074 1.00 0.00 N ATOM 272 CA VAL A 17 33.890 25.877 4.533 1.00 0.00 C ATOM 273 C VAL A 17 33.251 24.674 3.852 1.00 0.00 C ATOM 274 O VAL A 17 32.278 24.793 3.111 1.00 0.00 O ATOM 275 CB VAL A 17 33.768 25.751 6.062 1.00 0.00 C ATOM 276 CG1 VAL A 17 32.295 25.728 6.488 1.00 0.00 C ATOM 277 CG2 VAL A 17 34.456 24.479 6.578 1.00 0.00 C ATOM 0 H VAL A 17 32.317 27.026 3.732 1.00 0.00 H new ATOM 0 HA VAL A 17 34.946 25.901 4.265 1.00 0.00 H new ATOM 0 HB VAL A 17 34.262 26.620 6.495 1.00 0.00 H new ATOM 0 HG11 VAL A 17 32.231 25.638 7.572 1.00 0.00 H new ATOM 0 HG12 VAL A 17 31.810 26.651 6.171 1.00 0.00 H new ATOM 0 HG13 VAL A 17 31.795 24.878 6.024 1.00 0.00 H new ATOM 0 HG21 VAL A 17 34.350 24.422 7.661 1.00 0.00 H new ATOM 0 HG22 VAL A 17 33.993 23.604 6.122 1.00 0.00 H new ATOM 0 HG23 VAL A 17 35.514 24.506 6.318 1.00 0.00 H new ATOM 287 N GLU A 18 33.810 23.518 4.141 1.00 0.00 N ATOM 288 CA GLU A 18 33.315 22.248 3.598 1.00 0.00 C ATOM 289 C GLU A 18 32.392 21.582 4.626 1.00 0.00 C ATOM 290 O GLU A 18 32.703 21.591 5.818 1.00 0.00 O ATOM 291 CB GLU A 18 34.485 21.312 3.281 1.00 0.00 C ATOM 292 CG GLU A 18 35.397 21.970 2.245 1.00 0.00 C ATOM 293 CD GLU A 18 36.513 21.010 1.849 1.00 0.00 C ATOM 294 OE1 GLU A 18 37.551 21.042 2.491 1.00 0.00 O ATOM 295 OE2 GLU A 18 36.315 20.256 0.910 1.00 0.00 O ATOM 0 H GLU A 18 34.618 23.420 4.756 1.00 0.00 H new ATOM 0 HA GLU A 18 32.764 22.446 2.679 1.00 0.00 H new ATOM 0 HB2 GLU A 18 35.047 21.094 4.189 1.00 0.00 H new ATOM 0 HB3 GLU A 18 34.111 20.361 2.901 1.00 0.00 H new ATOM 0 HG2 GLU A 18 34.818 22.251 1.365 1.00 0.00 H new ATOM 0 HG3 GLU A 18 35.822 22.887 2.653 1.00 0.00 H new ATOM 302 N PRO A 19 31.273 21.017 4.224 1.00 0.00 N ATOM 303 CA PRO A 19 30.332 20.375 5.190 1.00 0.00 C ATOM 304 C PRO A 19 30.925 19.120 5.826 1.00 0.00 C ATOM 305 O PRO A 19 30.334 18.536 6.734 1.00 0.00 O ATOM 306 CB PRO A 19 29.097 20.046 4.335 1.00 0.00 C ATOM 307 CG PRO A 19 29.622 19.918 2.942 1.00 0.00 C ATOM 308 CD PRO A 19 30.780 20.910 2.835 1.00 0.00 C ATOM 0 HA PRO A 19 30.101 21.025 6.034 1.00 0.00 H new ATOM 0 HB2 PRO A 19 28.622 19.122 4.665 1.00 0.00 H new ATOM 0 HB3 PRO A 19 28.346 20.833 4.404 1.00 0.00 H new ATOM 0 HG2 PRO A 19 29.960 18.901 2.745 1.00 0.00 H new ATOM 0 HG3 PRO A 19 28.846 20.144 2.210 1.00 0.00 H new ATOM 0 HD2 PRO A 19 31.556 20.549 2.160 1.00 0.00 H new ATOM 0 HD3 PRO A 19 30.448 21.875 2.452 1.00 0.00 H new ATOM 316 N SER A 20 32.096 18.711 5.347 1.00 0.00 N ATOM 317 CA SER A 20 32.765 17.524 5.880 1.00 0.00 C ATOM 318 C SER A 20 33.812 17.926 6.910 1.00 0.00 C ATOM 319 O SER A 20 34.173 17.132 7.781 1.00 0.00 O ATOM 320 CB SER A 20 33.416 16.742 4.738 1.00 0.00 C ATOM 321 OG SER A 20 34.410 17.547 4.121 1.00 0.00 O ATOM 0 H SER A 20 32.601 19.180 4.595 1.00 0.00 H new ATOM 0 HA SER A 20 32.026 16.889 6.369 1.00 0.00 H new ATOM 0 HB2 SER A 20 33.862 15.823 5.119 1.00 0.00 H new ATOM 0 HB3 SER A 20 32.662 16.451 4.006 1.00 0.00 H new ATOM 0 HG SER A 20 34.829 17.046 3.390 1.00 0.00 H new ATOM 327 N ASP A 21 34.323 19.151 6.791 1.00 0.00 N ATOM 328 CA ASP A 21 35.335 19.635 7.706 1.00 0.00 C ATOM 329 C ASP A 21 34.888 19.420 9.147 1.00 0.00 C ATOM 330 O ASP A 21 33.686 19.384 9.442 1.00 0.00 O ATOM 331 CB ASP A 21 35.561 21.132 7.454 1.00 0.00 C ATOM 332 CG ASP A 21 36.521 21.343 6.287 1.00 0.00 C ATOM 333 OD1 ASP A 21 36.839 20.370 5.625 1.00 0.00 O ATOM 334 OD2 ASP A 21 36.924 22.474 6.074 1.00 0.00 O ATOM 0 H ASP A 21 34.049 19.818 6.070 1.00 0.00 H new ATOM 0 HA ASP A 21 36.262 19.086 7.542 1.00 0.00 H new ATOM 0 HB2 ASP A 21 34.609 21.618 7.241 1.00 0.00 H new ATOM 0 HB3 ASP A 21 35.964 21.600 8.352 1.00 0.00 H new ATOM 339 N THR A 22 35.861 19.285 10.040 1.00 0.00 N ATOM 340 CA THR A 22 35.563 19.085 11.449 1.00 0.00 C ATOM 341 C THR A 22 35.275 20.425 12.123 1.00 0.00 C ATOM 342 O THR A 22 35.349 21.488 11.501 1.00 0.00 O ATOM 343 CB THR A 22 36.737 18.395 12.150 1.00 0.00 C ATOM 344 OG1 THR A 22 37.866 19.257 12.139 1.00 0.00 O ATOM 345 CG2 THR A 22 37.076 17.094 11.420 1.00 0.00 C ATOM 0 H THR A 22 36.855 19.310 9.814 1.00 0.00 H new ATOM 0 HA THR A 22 34.681 18.449 11.528 1.00 0.00 H new ATOM 0 HB THR A 22 36.464 18.169 13.181 1.00 0.00 H new ATOM 0 HG1 THR A 22 38.618 18.817 12.589 1.00 0.00 H new ATOM 0 HG21 THR A 22 37.912 16.604 11.919 1.00 0.00 H new ATOM 0 HG22 THR A 22 36.209 16.434 11.431 1.00 0.00 H new ATOM 0 HG23 THR A 22 37.350 17.316 10.389 1.00 0.00 H new ATOM 353 N ILE A 23 34.976 20.373 13.407 1.00 0.00 N ATOM 354 CA ILE A 23 34.714 21.603 14.148 1.00 0.00 C ATOM 355 C ILE A 23 36.026 22.344 14.384 1.00 0.00 C ATOM 356 O ILE A 23 36.116 23.549 14.159 1.00 0.00 O ATOM 357 CB ILE A 23 34.029 21.291 15.481 1.00 0.00 C ATOM 358 CG1 ILE A 23 32.916 20.260 15.258 1.00 0.00 C ATOM 359 CG2 ILE A 23 33.420 22.568 16.065 1.00 0.00 C ATOM 360 CD1 ILE A 23 32.040 20.672 14.066 1.00 0.00 C ATOM 0 H ILE A 23 34.908 19.515 13.954 1.00 0.00 H new ATOM 0 HA ILE A 23 34.046 22.236 13.564 1.00 0.00 H new ATOM 0 HB ILE A 23 34.768 20.891 16.175 1.00 0.00 H new ATOM 0 HG12 ILE A 23 33.352 19.278 15.076 1.00 0.00 H new ATOM 0 HG13 ILE A 23 32.304 20.175 16.156 1.00 0.00 H new ATOM 0 HG21 ILE A 23 32.934 22.339 17.013 1.00 0.00 H new ATOM 0 HG22 ILE A 23 34.207 23.304 16.229 1.00 0.00 H new ATOM 0 HG23 ILE A 23 32.685 22.972 15.369 1.00 0.00 H new ATOM 0 HD11 ILE A 23 31.254 19.931 13.919 1.00 0.00 H new ATOM 0 HD12 ILE A 23 31.590 21.645 14.264 1.00 0.00 H new ATOM 0 HD13 ILE A 23 32.654 20.733 13.167 1.00 0.00 H new ATOM 372 N GLU A 24 37.053 21.610 14.809 1.00 0.00 N ATOM 373 CA GLU A 24 38.362 22.215 15.042 1.00 0.00 C ATOM 374 C GLU A 24 38.722 23.127 13.875 1.00 0.00 C ATOM 375 O GLU A 24 39.469 24.093 14.030 1.00 0.00 O ATOM 376 CB GLU A 24 39.430 21.130 15.190 1.00 0.00 C ATOM 377 CG GLU A 24 38.929 20.042 16.143 1.00 0.00 C ATOM 378 CD GLU A 24 38.506 20.664 17.470 1.00 0.00 C ATOM 379 OE1 GLU A 24 39.332 21.321 18.083 1.00 0.00 O ATOM 380 OE2 GLU A 24 37.364 20.472 17.853 1.00 0.00 O ATOM 0 H GLU A 24 37.006 20.609 14.997 1.00 0.00 H new ATOM 0 HA GLU A 24 38.319 22.798 15.962 1.00 0.00 H new ATOM 0 HB2 GLU A 24 39.660 20.697 14.217 1.00 0.00 H new ATOM 0 HB3 GLU A 24 40.354 21.565 15.572 1.00 0.00 H new ATOM 0 HG2 GLU A 24 38.087 19.514 15.695 1.00 0.00 H new ATOM 0 HG3 GLU A 24 39.714 19.305 16.311 1.00 0.00 H new ATOM 387 N ASN A 25 38.154 22.825 12.711 1.00 0.00 N ATOM 388 CA ASN A 25 38.395 23.640 11.529 1.00 0.00 C ATOM 389 C ASN A 25 37.624 24.944 11.656 1.00 0.00 C ATOM 390 O ASN A 25 38.215 26.024 11.707 1.00 0.00 O ATOM 391 CB ASN A 25 37.954 22.904 10.262 1.00 0.00 C ATOM 392 CG ASN A 25 38.260 23.756 9.035 1.00 0.00 C ATOM 393 OD1 ASN A 25 37.293 24.080 8.221 1.00 0.00 O flip ATOM 394 ND2 ASN A 25 39.409 24.136 8.812 1.00 0.00 N flip ATOM 0 H ASN A 25 37.531 22.031 12.563 1.00 0.00 H new ATOM 0 HA ASN A 25 39.463 23.843 11.454 1.00 0.00 H new ATOM 0 HB2 ASN A 25 38.470 21.947 10.189 1.00 0.00 H new ATOM 0 HB3 ASN A 25 36.887 22.688 10.309 1.00 0.00 H new ATOM 0 HD21 ASN A 25 40.163 23.881 9.450 1.00 0.00 H new ATOM 0 HD22 ASN A 25 39.607 24.706 7.989 1.00 0.00 H new ATOM 401 N VAL A 26 36.298 24.840 11.704 1.00 0.00 N ATOM 402 CA VAL A 26 35.457 26.029 11.829 1.00 0.00 C ATOM 403 C VAL A 26 35.991 26.944 12.916 1.00 0.00 C ATOM 404 O VAL A 26 35.808 28.162 12.872 1.00 0.00 O ATOM 405 CB VAL A 26 34.027 25.616 12.167 1.00 0.00 C ATOM 406 CG1 VAL A 26 33.147 26.858 12.310 1.00 0.00 C ATOM 407 CG2 VAL A 26 33.496 24.735 11.045 1.00 0.00 C ATOM 0 H VAL A 26 35.788 23.958 11.659 1.00 0.00 H new ATOM 0 HA VAL A 26 35.468 26.565 10.880 1.00 0.00 H new ATOM 0 HB VAL A 26 34.013 25.067 13.109 1.00 0.00 H new ATOM 0 HG11 VAL A 26 32.128 26.556 12.551 1.00 0.00 H new ATOM 0 HG12 VAL A 26 33.537 27.490 13.108 1.00 0.00 H new ATOM 0 HG13 VAL A 26 33.148 27.415 11.373 1.00 0.00 H new ATOM 0 HG21 VAL A 26 32.474 24.432 11.273 1.00 0.00 H new ATOM 0 HG22 VAL A 26 33.509 25.292 10.108 1.00 0.00 H new ATOM 0 HG23 VAL A 26 34.124 23.849 10.949 1.00 0.00 H new ATOM 417 N LYS A 27 36.672 26.344 13.875 1.00 0.00 N ATOM 418 CA LYS A 27 37.259 27.100 14.968 1.00 0.00 C ATOM 419 C LYS A 27 38.466 27.869 14.463 1.00 0.00 C ATOM 420 O LYS A 27 38.589 29.073 14.681 1.00 0.00 O ATOM 421 CB LYS A 27 37.689 26.149 16.090 1.00 0.00 C ATOM 422 CG LYS A 27 36.452 25.522 16.748 1.00 0.00 C ATOM 423 CD LYS A 27 36.807 25.011 18.146 1.00 0.00 C ATOM 424 CE LYS A 27 35.551 24.449 18.815 1.00 0.00 C ATOM 425 NZ LYS A 27 35.888 23.982 20.189 1.00 0.00 N ATOM 0 H LYS A 27 36.833 25.338 13.920 1.00 0.00 H new ATOM 0 HA LYS A 27 36.519 27.799 15.357 1.00 0.00 H new ATOM 0 HB2 LYS A 27 38.333 25.367 15.688 1.00 0.00 H new ATOM 0 HB3 LYS A 27 38.272 26.691 16.834 1.00 0.00 H new ATOM 0 HG2 LYS A 27 35.651 26.259 16.813 1.00 0.00 H new ATOM 0 HG3 LYS A 27 36.080 24.701 16.135 1.00 0.00 H new ATOM 0 HD2 LYS A 27 37.573 24.239 18.079 1.00 0.00 H new ATOM 0 HD3 LYS A 27 37.221 25.821 18.747 1.00 0.00 H new ATOM 0 HE2 LYS A 27 34.776 25.214 18.859 1.00 0.00 H new ATOM 0 HE3 LYS A 27 35.151 23.623 18.227 1.00 0.00 H new ATOM 0 HZ1 LYS A 27 35.035 23.600 20.645 1.00 0.00 H new ATOM 0 HZ2 LYS A 27 36.614 23.239 20.135 1.00 0.00 H new ATOM 0 HZ3 LYS A 27 36.251 24.781 20.748 1.00 0.00 H new ATOM 439 N ALA A 28 39.350 27.156 13.784 1.00 0.00 N ATOM 440 CA ALA A 28 40.553 27.762 13.243 1.00 0.00 C ATOM 441 C ALA A 28 40.204 28.986 12.399 1.00 0.00 C ATOM 442 O ALA A 28 40.934 29.975 12.396 1.00 0.00 O ATOM 443 CB ALA A 28 41.287 26.731 12.385 1.00 0.00 C ATOM 0 H ALA A 28 39.256 26.158 13.595 1.00 0.00 H new ATOM 0 HA ALA A 28 41.193 28.084 14.065 1.00 0.00 H new ATOM 0 HB1 ALA A 28 42.192 27.178 11.974 1.00 0.00 H new ATOM 0 HB2 ALA A 28 41.553 25.870 12.999 1.00 0.00 H new ATOM 0 HB3 ALA A 28 40.639 26.409 11.570 1.00 0.00 H new ATOM 449 N LYS A 29 39.077 28.916 11.699 1.00 0.00 N ATOM 450 CA LYS A 29 38.643 30.038 10.875 1.00 0.00 C ATOM 451 C LYS A 29 38.280 31.231 11.761 1.00 0.00 C ATOM 452 O LYS A 29 38.932 32.274 11.712 1.00 0.00 O ATOM 453 CB LYS A 29 37.445 29.634 10.011 1.00 0.00 C ATOM 454 CG LYS A 29 37.937 28.861 8.776 1.00 0.00 C ATOM 455 CD LYS A 29 36.802 28.019 8.207 1.00 0.00 C ATOM 456 CE LYS A 29 37.328 27.162 7.054 1.00 0.00 C ATOM 457 NZ LYS A 29 37.615 28.033 5.880 1.00 0.00 N ATOM 0 H LYS A 29 38.456 28.107 11.685 1.00 0.00 H new ATOM 0 HA LYS A 29 39.463 30.326 10.217 1.00 0.00 H new ATOM 0 HB2 LYS A 29 36.758 29.016 10.590 1.00 0.00 H new ATOM 0 HB3 LYS A 29 36.892 30.521 9.701 1.00 0.00 H new ATOM 0 HG2 LYS A 29 38.299 29.558 8.020 1.00 0.00 H new ATOM 0 HG3 LYS A 29 38.776 28.221 9.047 1.00 0.00 H new ATOM 0 HD2 LYS A 29 36.383 27.382 8.986 1.00 0.00 H new ATOM 0 HD3 LYS A 29 35.997 28.665 7.856 1.00 0.00 H new ATOM 0 HE2 LYS A 29 38.232 26.636 7.360 1.00 0.00 H new ATOM 0 HE3 LYS A 29 36.593 26.403 6.786 1.00 0.00 H new ATOM 0 HZ1 LYS A 29 38.456 27.678 5.382 1.00 0.00 H new ATOM 0 HZ2 LYS A 29 36.800 28.024 5.234 1.00 0.00 H new ATOM 0 HZ3 LYS A 29 37.789 29.006 6.204 1.00 0.00 H new ATOM 471 N ILE A 30 37.229 31.071 12.559 1.00 0.00 N ATOM 472 CA ILE A 30 36.773 32.128 13.441 1.00 0.00 C ATOM 473 C ILE A 30 37.931 32.686 14.276 1.00 0.00 C ATOM 474 O ILE A 30 38.013 33.893 14.497 1.00 0.00 O ATOM 475 CB ILE A 30 35.674 31.566 14.352 1.00 0.00 C ATOM 476 CG1 ILE A 30 34.392 31.356 13.537 1.00 0.00 C ATOM 477 CG2 ILE A 30 35.388 32.542 15.489 1.00 0.00 C ATOM 478 CD1 ILE A 30 33.418 30.482 14.331 1.00 0.00 C ATOM 0 H ILE A 30 36.678 30.214 12.609 1.00 0.00 H new ATOM 0 HA ILE A 30 36.376 32.950 12.845 1.00 0.00 H new ATOM 0 HB ILE A 30 36.010 30.616 14.767 1.00 0.00 H new ATOM 0 HG12 ILE A 30 33.932 32.318 13.310 1.00 0.00 H new ATOM 0 HG13 ILE A 30 34.628 30.882 12.584 1.00 0.00 H new ATOM 0 HG21 ILE A 30 34.607 32.135 16.130 1.00 0.00 H new ATOM 0 HG22 ILE A 30 36.295 32.695 16.074 1.00 0.00 H new ATOM 0 HG23 ILE A 30 35.058 33.495 15.076 1.00 0.00 H new ATOM 0 HD11 ILE A 30 32.507 30.333 13.751 1.00 0.00 H new ATOM 0 HD12 ILE A 30 33.880 29.516 14.536 1.00 0.00 H new ATOM 0 HD13 ILE A 30 33.173 30.974 15.272 1.00 0.00 H new ATOM 490 N GLN A 31 38.812 31.806 14.743 1.00 0.00 N ATOM 491 CA GLN A 31 39.944 32.239 15.555 1.00 0.00 C ATOM 492 C GLN A 31 40.820 33.212 14.773 1.00 0.00 C ATOM 493 O GLN A 31 41.027 34.352 15.184 1.00 0.00 O ATOM 494 CB GLN A 31 40.781 31.028 15.980 1.00 0.00 C ATOM 495 CG GLN A 31 41.861 31.472 16.969 1.00 0.00 C ATOM 496 CD GLN A 31 42.652 30.264 17.460 1.00 0.00 C ATOM 497 OE1 GLN A 31 42.432 29.091 16.930 1.00 0.00 O flip ATOM 498 NE2 GLN A 31 43.495 30.391 18.349 1.00 0.00 N flip ATOM 0 H GLN A 31 38.765 30.801 14.576 1.00 0.00 H new ATOM 0 HA GLN A 31 39.558 32.742 16.442 1.00 0.00 H new ATOM 0 HB2 GLN A 31 40.141 30.274 16.439 1.00 0.00 H new ATOM 0 HB3 GLN A 31 41.241 30.567 15.106 1.00 0.00 H new ATOM 0 HG2 GLN A 31 42.532 32.185 16.490 1.00 0.00 H new ATOM 0 HG3 GLN A 31 41.402 31.984 17.815 1.00 0.00 H new ATOM 0 HE21 GLN A 31 43.666 31.308 18.762 1.00 0.00 H new ATOM 0 HE22 GLN A 31 44.022 29.580 18.672 1.00 0.00 H new ATOM 507 N ASP A 32 41.342 32.733 13.659 1.00 0.00 N ATOM 508 CA ASP A 32 42.217 33.546 12.824 1.00 0.00 C ATOM 509 C ASP A 32 41.603 34.919 12.523 1.00 0.00 C ATOM 510 O ASP A 32 42.324 35.911 12.422 1.00 0.00 O ATOM 511 CB ASP A 32 42.515 32.813 11.513 1.00 0.00 C ATOM 512 CG ASP A 32 43.395 31.595 11.786 1.00 0.00 C ATOM 513 OD1 ASP A 32 43.894 31.487 12.894 1.00 0.00 O ATOM 514 OD2 ASP A 32 43.556 30.791 10.883 1.00 0.00 O ATOM 0 H ASP A 32 41.178 31.789 13.309 1.00 0.00 H new ATOM 0 HA ASP A 32 43.143 33.709 13.375 1.00 0.00 H new ATOM 0 HB2 ASP A 32 41.583 32.501 11.041 1.00 0.00 H new ATOM 0 HB3 ASP A 32 43.016 33.485 10.816 1.00 0.00 H new ATOM 519 N LYS A 33 40.281 34.972 12.348 1.00 0.00 N ATOM 520 CA LYS A 33 39.614 36.238 12.023 1.00 0.00 C ATOM 521 C LYS A 33 39.372 37.135 13.245 1.00 0.00 C ATOM 522 O LYS A 33 39.616 38.340 13.182 1.00 0.00 O ATOM 523 CB LYS A 33 38.273 35.966 11.347 1.00 0.00 C ATOM 524 CG LYS A 33 38.474 35.101 10.101 1.00 0.00 C ATOM 525 CD LYS A 33 37.106 34.638 9.585 1.00 0.00 C ATOM 526 CE LYS A 33 37.255 34.059 8.175 1.00 0.00 C ATOM 527 NZ LYS A 33 35.908 33.728 7.630 1.00 0.00 N ATOM 0 H LYS A 33 39.658 34.168 12.424 1.00 0.00 H new ATOM 0 HA LYS A 33 40.291 36.769 11.354 1.00 0.00 H new ATOM 0 HB2 LYS A 33 37.602 35.463 12.043 1.00 0.00 H new ATOM 0 HB3 LYS A 33 37.799 36.908 11.072 1.00 0.00 H new ATOM 0 HG2 LYS A 33 38.994 35.668 9.329 1.00 0.00 H new ATOM 0 HG3 LYS A 33 39.098 34.239 10.338 1.00 0.00 H new ATOM 0 HD2 LYS A 33 36.689 33.886 10.255 1.00 0.00 H new ATOM 0 HD3 LYS A 33 36.409 35.476 9.573 1.00 0.00 H new ATOM 0 HE2 LYS A 33 37.755 34.778 7.526 1.00 0.00 H new ATOM 0 HE3 LYS A 33 37.878 33.165 8.201 1.00 0.00 H new ATOM 0 HZ1 LYS A 33 35.872 33.973 6.620 1.00 0.00 H new ATOM 0 HZ2 LYS A 33 35.727 32.711 7.746 1.00 0.00 H new ATOM 0 HZ3 LYS A 33 35.183 34.269 8.143 1.00 0.00 H new ATOM 541 N GLU A 34 38.848 36.570 14.340 1.00 0.00 N ATOM 542 CA GLU A 34 38.533 37.373 15.537 1.00 0.00 C ATOM 543 C GLU A 34 39.538 37.174 16.672 1.00 0.00 C ATOM 544 O GLU A 34 39.369 37.735 17.753 1.00 0.00 O ATOM 545 CB GLU A 34 37.133 37.012 16.046 1.00 0.00 C ATOM 546 CG GLU A 34 36.101 37.249 14.941 1.00 0.00 C ATOM 547 CD GLU A 34 34.692 37.190 15.527 1.00 0.00 C ATOM 548 OE1 GLU A 34 34.401 37.991 16.402 1.00 0.00 O ATOM 549 OE2 GLU A 34 33.926 36.346 15.093 1.00 0.00 O ATOM 0 H GLU A 34 38.634 35.576 14.426 1.00 0.00 H new ATOM 0 HA GLU A 34 38.582 38.419 15.235 1.00 0.00 H new ATOM 0 HB2 GLU A 34 37.109 35.969 16.361 1.00 0.00 H new ATOM 0 HB3 GLU A 34 36.888 37.615 16.920 1.00 0.00 H new ATOM 0 HG2 GLU A 34 36.270 38.220 14.475 1.00 0.00 H new ATOM 0 HG3 GLU A 34 36.212 36.497 14.160 1.00 0.00 H new ATOM 556 N GLY A 35 40.602 36.423 16.428 1.00 0.00 N ATOM 557 CA GLY A 35 41.622 36.222 17.457 1.00 0.00 C ATOM 558 C GLY A 35 41.040 35.672 18.762 1.00 0.00 C ATOM 559 O GLY A 35 41.620 35.879 19.826 1.00 0.00 O ATOM 0 H GLY A 35 40.784 35.948 15.544 1.00 0.00 H new ATOM 0 HA2 GLY A 35 42.380 35.534 17.083 1.00 0.00 H new ATOM 0 HA3 GLY A 35 42.123 37.169 17.657 1.00 0.00 H new ATOM 563 N ILE A 36 39.898 34.983 18.687 1.00 0.00 N ATOM 564 CA ILE A 36 39.264 34.420 19.877 1.00 0.00 C ATOM 565 C ILE A 36 39.695 32.957 20.085 1.00 0.00 C ATOM 566 O ILE A 36 39.288 32.087 19.316 1.00 0.00 O ATOM 567 CB ILE A 36 37.754 34.477 19.699 1.00 0.00 C ATOM 568 CG1 ILE A 36 37.360 35.928 19.437 1.00 0.00 C ATOM 569 CG2 ILE A 36 37.071 33.977 20.973 1.00 0.00 C ATOM 570 CD1 ILE A 36 35.853 36.034 19.277 1.00 0.00 C ATOM 0 H ILE A 36 39.397 34.803 17.817 1.00 0.00 H new ATOM 0 HA ILE A 36 39.569 34.998 20.749 1.00 0.00 H new ATOM 0 HB ILE A 36 37.445 33.848 18.864 1.00 0.00 H new ATOM 0 HG12 ILE A 36 37.692 36.559 20.262 1.00 0.00 H new ATOM 0 HG13 ILE A 36 37.856 36.292 18.537 1.00 0.00 H new ATOM 0 HG21 ILE A 36 35.989 34.018 20.846 1.00 0.00 H new ATOM 0 HG22 ILE A 36 37.375 32.949 21.169 1.00 0.00 H new ATOM 0 HG23 ILE A 36 37.362 34.608 21.813 1.00 0.00 H new ATOM 0 HD11 ILE A 36 35.579 37.072 19.090 1.00 0.00 H new ATOM 0 HD12 ILE A 36 35.532 35.417 18.437 1.00 0.00 H new ATOM 0 HD13 ILE A 36 35.365 35.688 20.188 1.00 0.00 H new ATOM 582 N PRO A 37 40.488 32.648 21.096 1.00 0.00 N ATOM 583 CA PRO A 37 40.926 31.237 21.357 1.00 0.00 C ATOM 584 C PRO A 37 39.738 30.263 21.375 1.00 0.00 C ATOM 585 O PRO A 37 38.602 30.675 21.603 1.00 0.00 O ATOM 586 CB PRO A 37 41.592 31.321 22.740 1.00 0.00 C ATOM 587 CG PRO A 37 42.081 32.727 22.843 1.00 0.00 C ATOM 588 CD PRO A 37 41.059 33.580 22.092 1.00 0.00 C ATOM 0 HA PRO A 37 41.591 30.857 20.581 1.00 0.00 H new ATOM 0 HB2 PRO A 37 40.883 31.090 23.535 1.00 0.00 H new ATOM 0 HB3 PRO A 37 42.413 30.609 22.828 1.00 0.00 H new ATOM 0 HG2 PRO A 37 42.160 33.038 23.885 1.00 0.00 H new ATOM 0 HG3 PRO A 37 43.073 32.829 22.404 1.00 0.00 H new ATOM 0 HD2 PRO A 37 40.292 33.969 22.762 1.00 0.00 H new ATOM 0 HD3 PRO A 37 41.529 34.439 21.613 1.00 0.00 H new ATOM 596 N PRO A 38 39.974 28.991 21.143 1.00 0.00 N ATOM 597 CA PRO A 38 38.889 27.957 21.139 1.00 0.00 C ATOM 598 C PRO A 38 38.318 27.697 22.537 1.00 0.00 C ATOM 599 O PRO A 38 37.140 27.369 22.681 1.00 0.00 O ATOM 600 CB PRO A 38 39.587 26.709 20.581 1.00 0.00 C ATOM 601 CG PRO A 38 41.014 26.889 20.966 1.00 0.00 C ATOM 602 CD PRO A 38 41.287 28.387 20.855 1.00 0.00 C ATOM 0 HA PRO A 38 38.027 28.270 20.549 1.00 0.00 H new ATOM 0 HB2 PRO A 38 39.171 25.796 21.007 1.00 0.00 H new ATOM 0 HB3 PRO A 38 39.472 26.638 19.499 1.00 0.00 H new ATOM 0 HG2 PRO A 38 41.194 26.533 21.980 1.00 0.00 H new ATOM 0 HG3 PRO A 38 41.672 26.321 20.308 1.00 0.00 H new ATOM 0 HD2 PRO A 38 42.045 28.712 21.568 1.00 0.00 H new ATOM 0 HD3 PRO A 38 41.646 28.658 19.862 1.00 0.00 H new ATOM 610 N ASP A 39 39.157 27.834 23.559 1.00 0.00 N ATOM 611 CA ASP A 39 38.711 27.599 24.931 1.00 0.00 C ATOM 612 C ASP A 39 37.901 28.782 25.449 1.00 0.00 C ATOM 613 O ASP A 39 37.084 28.636 26.359 1.00 0.00 O ATOM 614 CB ASP A 39 39.915 27.364 25.843 1.00 0.00 C ATOM 615 CG ASP A 39 40.727 26.175 25.340 1.00 0.00 C ATOM 616 OD1 ASP A 39 40.127 25.153 25.048 1.00 0.00 O ATOM 617 OD2 ASP A 39 41.938 26.304 25.253 1.00 0.00 O ATOM 0 H ASP A 39 40.137 28.103 23.468 1.00 0.00 H new ATOM 0 HA ASP A 39 38.076 26.713 24.934 1.00 0.00 H new ATOM 0 HB2 ASP A 39 40.540 28.256 25.870 1.00 0.00 H new ATOM 0 HB3 ASP A 39 39.578 27.179 26.863 1.00 0.00 H new ATOM 622 N GLN A 40 38.149 29.956 24.884 1.00 0.00 N ATOM 623 CA GLN A 40 37.454 31.162 25.321 1.00 0.00 C ATOM 624 C GLN A 40 36.032 31.215 24.770 1.00 0.00 C ATOM 625 O GLN A 40 35.178 31.906 25.325 1.00 0.00 O ATOM 626 CB GLN A 40 38.213 32.408 24.859 1.00 0.00 C ATOM 627 CG GLN A 40 39.507 32.543 25.660 1.00 0.00 C ATOM 628 CD GLN A 40 39.199 33.012 27.078 1.00 0.00 C ATOM 629 OE1 GLN A 40 38.306 33.943 27.270 1.00 0.00 O flip ATOM 630 NE2 GLN A 40 39.787 32.514 28.038 1.00 0.00 N flip ATOM 0 H GLN A 40 38.820 30.100 24.129 1.00 0.00 H new ATOM 0 HA GLN A 40 37.408 31.137 26.410 1.00 0.00 H new ATOM 0 HB2 GLN A 40 38.437 32.336 23.795 1.00 0.00 H new ATOM 0 HB3 GLN A 40 37.594 33.295 24.995 1.00 0.00 H new ATOM 0 HG2 GLN A 40 40.027 31.585 25.690 1.00 0.00 H new ATOM 0 HG3 GLN A 40 40.174 33.253 25.171 1.00 0.00 H new ATOM 0 HE21 GLN A 40 40.485 31.786 27.887 1.00 0.00 H new ATOM 0 HE22 GLN A 40 39.576 32.829 28.985 1.00 0.00 H new ATOM 639 N GLN A 41 35.776 30.496 23.673 1.00 0.00 N ATOM 640 CA GLN A 41 34.448 30.489 23.059 1.00 0.00 C ATOM 641 C GLN A 41 33.866 29.078 22.993 1.00 0.00 C ATOM 642 O GLN A 41 34.589 28.083 23.037 1.00 0.00 O ATOM 643 CB GLN A 41 34.544 31.056 21.644 1.00 0.00 C ATOM 644 CG GLN A 41 35.448 30.166 20.788 1.00 0.00 C ATOM 645 CD GLN A 41 35.757 30.858 19.465 1.00 0.00 C ATOM 646 OE1 GLN A 41 35.654 32.079 19.363 1.00 0.00 O ATOM 647 NE2 GLN A 41 36.131 30.144 18.437 1.00 0.00 N ATOM 0 H GLN A 41 36.466 29.916 23.196 1.00 0.00 H new ATOM 0 HA GLN A 41 33.789 31.101 23.674 1.00 0.00 H new ATOM 0 HB2 GLN A 41 33.551 31.116 21.199 1.00 0.00 H new ATOM 0 HB3 GLN A 41 34.942 32.070 21.675 1.00 0.00 H new ATOM 0 HG2 GLN A 41 36.374 29.953 21.322 1.00 0.00 H new ATOM 0 HG3 GLN A 41 34.960 29.209 20.602 1.00 0.00 H new ATOM 0 HE21 GLN A 41 36.216 29.131 18.523 1.00 0.00 H new ATOM 0 HE22 GLN A 41 36.338 30.599 17.548 1.00 0.00 H new ATOM 656 N ARG A 42 32.541 29.025 22.861 1.00 0.00 N ATOM 657 CA ARG A 42 31.808 27.766 22.756 1.00 0.00 C ATOM 658 C ARG A 42 30.839 27.889 21.588 1.00 0.00 C ATOM 659 O ARG A 42 30.179 28.917 21.435 1.00 0.00 O ATOM 660 CB ARG A 42 31.031 27.493 24.051 1.00 0.00 C ATOM 661 CG ARG A 42 31.994 27.069 25.177 1.00 0.00 C ATOM 662 CD ARG A 42 32.283 25.564 25.099 1.00 0.00 C ATOM 663 NE ARG A 42 32.892 25.102 26.339 1.00 0.00 N ATOM 664 CZ ARG A 42 34.172 25.333 26.608 1.00 0.00 C ATOM 665 NH1 ARG A 42 34.690 24.911 27.728 1.00 0.00 N ATOM 666 NH2 ARG A 42 34.912 25.979 25.749 1.00 0.00 N ATOM 0 H ARG A 42 31.947 29.853 22.824 1.00 0.00 H new ATOM 0 HA ARG A 42 32.500 26.940 22.595 1.00 0.00 H new ATOM 0 HB2 ARG A 42 30.484 28.387 24.349 1.00 0.00 H new ATOM 0 HB3 ARG A 42 30.293 26.709 23.881 1.00 0.00 H new ATOM 0 HG2 ARG A 42 32.926 27.629 25.097 1.00 0.00 H new ATOM 0 HG3 ARG A 42 31.559 27.312 26.146 1.00 0.00 H new ATOM 0 HD2 ARG A 42 31.358 25.018 24.915 1.00 0.00 H new ATOM 0 HD3 ARG A 42 32.948 25.357 24.260 1.00 0.00 H new ATOM 0 HE ARG A 42 32.324 24.591 27.014 1.00 0.00 H new ATOM 0 HH11 ARG A 42 34.112 24.403 28.398 1.00 0.00 H new ATOM 0 HH12 ARG A 42 35.673 25.089 27.934 1.00 0.00 H new ATOM 0 HH21 ARG A 42 34.507 26.306 24.872 1.00 0.00 H new ATOM 0 HH22 ARG A 42 35.895 26.157 25.955 1.00 0.00 H new ATOM 680 N LEU A 43 30.761 26.862 20.749 1.00 0.00 N ATOM 681 CA LEU A 43 29.871 26.913 19.588 1.00 0.00 C ATOM 682 C LEU A 43 28.494 26.364 19.919 1.00 0.00 C ATOM 683 O LEU A 43 28.336 25.182 20.235 1.00 0.00 O ATOM 684 CB LEU A 43 30.461 26.107 18.440 1.00 0.00 C ATOM 685 CG LEU A 43 31.918 26.496 18.186 1.00 0.00 C ATOM 686 CD1 LEU A 43 32.354 25.886 16.859 1.00 0.00 C ATOM 687 CD2 LEU A 43 32.058 28.019 18.112 1.00 0.00 C ATOM 0 H LEU A 43 31.292 25.997 20.845 1.00 0.00 H new ATOM 0 HA LEU A 43 29.770 27.959 19.298 1.00 0.00 H new ATOM 0 HB2 LEU A 43 30.400 25.043 18.669 1.00 0.00 H new ATOM 0 HB3 LEU A 43 29.874 26.272 17.536 1.00 0.00 H new ATOM 0 HG LEU A 43 32.541 26.128 19.001 1.00 0.00 H new ATOM 0 HD11 LEU A 43 33.392 26.152 16.660 1.00 0.00 H new ATOM 0 HD12 LEU A 43 32.261 24.801 16.909 1.00 0.00 H new ATOM 0 HD13 LEU A 43 31.721 26.268 16.058 1.00 0.00 H new ATOM 0 HD21 LEU A 43 33.101 28.280 17.931 1.00 0.00 H new ATOM 0 HD22 LEU A 43 31.441 28.402 17.299 1.00 0.00 H new ATOM 0 HD23 LEU A 43 31.732 28.461 19.054 1.00 0.00 H new ATOM 699 N ILE A 44 27.498 27.243 19.849 1.00 0.00 N ATOM 700 CA ILE A 44 26.113 26.871 20.151 1.00 0.00 C ATOM 701 C ILE A 44 25.254 26.835 18.879 1.00 0.00 C ATOM 702 O ILE A 44 25.107 27.844 18.180 1.00 0.00 O ATOM 703 CB ILE A 44 25.503 27.886 21.143 1.00 0.00 C ATOM 704 CG1 ILE A 44 25.944 27.560 22.580 1.00 0.00 C ATOM 705 CG2 ILE A 44 23.967 27.841 21.069 1.00 0.00 C ATOM 706 CD1 ILE A 44 27.467 27.431 22.654 1.00 0.00 C ATOM 0 H ILE A 44 27.622 28.221 19.586 1.00 0.00 H new ATOM 0 HA ILE A 44 26.123 25.874 20.592 1.00 0.00 H new ATOM 0 HB ILE A 44 25.854 28.882 20.872 1.00 0.00 H new ATOM 0 HG12 ILE A 44 25.606 28.344 23.258 1.00 0.00 H new ATOM 0 HG13 ILE A 44 25.478 26.631 22.909 1.00 0.00 H new ATOM 0 HG21 ILE A 44 23.548 28.560 21.772 1.00 0.00 H new ATOM 0 HG22 ILE A 44 23.644 28.091 20.058 1.00 0.00 H new ATOM 0 HG23 ILE A 44 23.620 26.840 21.324 1.00 0.00 H new ATOM 0 HD11 ILE A 44 27.763 27.200 23.677 1.00 0.00 H new ATOM 0 HD12 ILE A 44 27.797 26.631 21.991 1.00 0.00 H new ATOM 0 HD13 ILE A 44 27.927 28.370 22.346 1.00 0.00 H new ATOM 718 N PHE A 45 24.666 25.673 18.613 1.00 0.00 N ATOM 719 CA PHE A 45 23.786 25.499 17.457 1.00 0.00 C ATOM 720 C PHE A 45 22.593 24.630 17.844 1.00 0.00 C ATOM 721 O PHE A 45 22.759 23.489 18.272 1.00 0.00 O ATOM 722 CB PHE A 45 24.550 24.827 16.320 1.00 0.00 C ATOM 723 CG PHE A 45 23.720 24.845 15.060 1.00 0.00 C ATOM 724 CD1 PHE A 45 23.974 25.793 14.063 1.00 0.00 C ATOM 725 CD2 PHE A 45 22.703 23.902 14.888 1.00 0.00 C ATOM 726 CE1 PHE A 45 23.211 25.795 12.888 1.00 0.00 C ATOM 727 CE2 PHE A 45 21.936 23.903 13.716 1.00 0.00 C ATOM 728 CZ PHE A 45 22.191 24.850 12.715 1.00 0.00 C ATOM 0 H PHE A 45 24.782 24.835 19.182 1.00 0.00 H new ATOM 0 HA PHE A 45 23.434 26.477 17.129 1.00 0.00 H new ATOM 0 HB2 PHE A 45 25.495 25.343 16.150 1.00 0.00 H new ATOM 0 HB3 PHE A 45 24.793 23.799 16.591 1.00 0.00 H new ATOM 0 HD1 PHE A 45 24.758 26.523 14.199 1.00 0.00 H new ATOM 0 HD2 PHE A 45 22.508 23.172 15.660 1.00 0.00 H new ATOM 0 HE1 PHE A 45 23.409 26.524 12.116 1.00 0.00 H new ATOM 0 HE2 PHE A 45 21.149 23.175 13.584 1.00 0.00 H new ATOM 0 HZ PHE A 45 21.601 24.851 11.810 1.00 0.00 H new ATOM 738 N ALA A 46 21.391 25.178 17.704 1.00 0.00 N ATOM 739 CA ALA A 46 20.181 24.440 18.050 1.00 0.00 C ATOM 740 C ALA A 46 20.220 23.978 19.508 1.00 0.00 C ATOM 741 O ALA A 46 19.785 22.872 19.829 1.00 0.00 O ATOM 742 CB ALA A 46 20.033 23.226 17.132 1.00 0.00 C ATOM 0 H ALA A 46 21.228 26.123 17.356 1.00 0.00 H new ATOM 0 HA ALA A 46 19.327 25.105 17.920 1.00 0.00 H new ATOM 0 HB1 ALA A 46 19.128 22.679 17.395 1.00 0.00 H new ATOM 0 HB2 ALA A 46 19.967 23.559 16.096 1.00 0.00 H new ATOM 0 HB3 ALA A 46 20.898 22.574 17.249 1.00 0.00 H new ATOM 748 N GLY A 47 20.731 24.837 20.385 1.00 0.00 N ATOM 749 CA GLY A 47 20.808 24.517 21.809 1.00 0.00 C ATOM 750 C GLY A 47 21.723 23.320 22.083 1.00 0.00 C ATOM 751 O GLY A 47 21.664 22.725 23.158 1.00 0.00 O ATOM 0 H GLY A 47 21.097 25.756 20.137 1.00 0.00 H new ATOM 0 HA2 GLY A 47 21.175 25.386 22.356 1.00 0.00 H new ATOM 0 HA3 GLY A 47 19.808 24.302 22.186 1.00 0.00 H new ATOM 755 N LYS A 48 22.579 22.977 21.118 1.00 0.00 N ATOM 756 CA LYS A 48 23.515 21.853 21.281 1.00 0.00 C ATOM 757 C LYS A 48 24.948 22.311 21.040 1.00 0.00 C ATOM 758 O LYS A 48 25.237 22.937 20.021 1.00 0.00 O ATOM 759 CB LYS A 48 23.181 20.743 20.295 1.00 0.00 C ATOM 760 CG LYS A 48 21.764 20.220 20.551 1.00 0.00 C ATOM 761 CD LYS A 48 21.590 18.854 19.880 1.00 0.00 C ATOM 762 CE LYS A 48 21.811 18.990 18.371 1.00 0.00 C ATOM 763 NZ LYS A 48 23.273 19.064 18.093 1.00 0.00 N ATOM 0 H LYS A 48 22.647 23.455 20.220 1.00 0.00 H new ATOM 0 HA LYS A 48 23.420 21.480 22.301 1.00 0.00 H new ATOM 0 HB2 LYS A 48 23.260 21.117 19.274 1.00 0.00 H new ATOM 0 HB3 LYS A 48 23.900 19.930 20.393 1.00 0.00 H new ATOM 0 HG2 LYS A 48 21.585 20.135 21.623 1.00 0.00 H new ATOM 0 HG3 LYS A 48 21.030 20.924 20.160 1.00 0.00 H new ATOM 0 HD2 LYS A 48 22.299 18.139 20.298 1.00 0.00 H new ATOM 0 HD3 LYS A 48 20.591 18.465 20.078 1.00 0.00 H new ATOM 0 HE2 LYS A 48 21.372 18.139 17.849 1.00 0.00 H new ATOM 0 HE3 LYS A 48 21.312 19.884 17.998 1.00 0.00 H new ATOM 0 HZ1 LYS A 48 23.503 18.457 17.280 1.00 0.00 H new ATOM 0 HZ2 LYS A 48 23.536 20.047 17.877 1.00 0.00 H new ATOM 0 HZ3 LYS A 48 23.802 18.740 18.928 1.00 0.00 H new ATOM 777 N GLN A 49 25.857 21.978 21.958 1.00 0.00 N ATOM 778 CA GLN A 49 27.251 22.348 21.791 1.00 0.00 C ATOM 779 C GLN A 49 27.931 21.399 20.815 1.00 0.00 C ATOM 780 O GLN A 49 27.779 20.179 20.915 1.00 0.00 O ATOM 781 CB GLN A 49 27.976 22.313 23.127 1.00 0.00 C ATOM 782 CG GLN A 49 27.441 23.428 24.025 1.00 0.00 C ATOM 783 CD GLN A 49 28.168 23.413 25.365 1.00 0.00 C ATOM 784 OE1 GLN A 49 29.004 22.543 25.610 1.00 0.00 O ATOM 785 NE2 GLN A 49 27.897 24.330 26.253 1.00 0.00 N ATOM 0 H GLN A 49 25.651 21.460 22.812 1.00 0.00 H new ATOM 0 HA GLN A 49 27.292 23.363 21.395 1.00 0.00 H new ATOM 0 HB2 GLN A 49 27.832 21.345 23.606 1.00 0.00 H new ATOM 0 HB3 GLN A 49 29.048 22.437 22.975 1.00 0.00 H new ATOM 0 HG2 GLN A 49 27.577 24.394 23.539 1.00 0.00 H new ATOM 0 HG3 GLN A 49 26.370 23.298 24.181 1.00 0.00 H new ATOM 0 HE21 GLN A 49 27.204 25.050 26.048 1.00 0.00 H new ATOM 0 HE22 GLN A 49 28.378 24.327 27.152 1.00 0.00 H new ATOM 794 N LEU A 50 28.658 21.955 19.862 1.00 0.00 N ATOM 795 CA LEU A 50 29.325 21.131 18.865 1.00 0.00 C ATOM 796 C LEU A 50 30.472 20.334 19.488 1.00 0.00 C ATOM 797 O LEU A 50 31.238 20.855 20.298 1.00 0.00 O ATOM 798 CB LEU A 50 29.849 22.013 17.731 1.00 0.00 C ATOM 799 CG LEU A 50 28.684 22.444 16.828 1.00 0.00 C ATOM 800 CD1 LEU A 50 27.642 23.217 17.642 1.00 0.00 C ATOM 801 CD2 LEU A 50 29.211 23.339 15.705 1.00 0.00 C ATOM 0 H LEU A 50 28.802 22.959 19.756 1.00 0.00 H new ATOM 0 HA LEU A 50 28.601 20.421 18.465 1.00 0.00 H new ATOM 0 HB2 LEU A 50 30.347 22.891 18.141 1.00 0.00 H new ATOM 0 HB3 LEU A 50 30.591 21.469 17.148 1.00 0.00 H new ATOM 0 HG LEU A 50 28.219 21.554 16.404 1.00 0.00 H new ATOM 0 HD11 LEU A 50 26.821 23.517 16.991 1.00 0.00 H new ATOM 0 HD12 LEU A 50 27.258 22.581 18.440 1.00 0.00 H new ATOM 0 HD13 LEU A 50 28.104 24.104 18.076 1.00 0.00 H new ATOM 0 HD21 LEU A 50 28.384 23.644 15.065 1.00 0.00 H new ATOM 0 HD22 LEU A 50 29.682 24.223 16.135 1.00 0.00 H new ATOM 0 HD23 LEU A 50 29.943 22.788 15.114 1.00 0.00 H new ATOM 813 N GLU A 51 30.566 19.061 19.104 1.00 0.00 N ATOM 814 CA GLU A 51 31.596 18.172 19.617 1.00 0.00 C ATOM 815 C GLU A 51 32.987 18.612 19.162 1.00 0.00 C ATOM 816 O GLU A 51 33.154 19.170 18.078 1.00 0.00 O ATOM 817 CB GLU A 51 31.318 16.749 19.135 1.00 0.00 C ATOM 818 CG GLU A 51 32.120 15.760 19.968 1.00 0.00 C ATOM 819 CD GLU A 51 31.941 14.349 19.412 1.00 0.00 C ATOM 820 OE1 GLU A 51 30.813 13.887 19.377 1.00 0.00 O ATOM 821 OE2 GLU A 51 32.934 13.752 19.027 1.00 0.00 O ATOM 0 H GLU A 51 29.933 18.624 18.434 1.00 0.00 H new ATOM 0 HA GLU A 51 31.574 18.208 20.706 1.00 0.00 H new ATOM 0 HB2 GLU A 51 30.254 16.529 19.216 1.00 0.00 H new ATOM 0 HB3 GLU A 51 31.584 16.653 18.082 1.00 0.00 H new ATOM 0 HG2 GLU A 51 33.175 16.034 19.958 1.00 0.00 H new ATOM 0 HG3 GLU A 51 31.792 15.796 21.007 1.00 0.00 H new ATOM 828 N ASP A 52 33.972 18.374 20.019 1.00 0.00 N ATOM 829 CA ASP A 52 35.344 18.757 19.738 1.00 0.00 C ATOM 830 C ASP A 52 35.972 17.938 18.601 1.00 0.00 C ATOM 831 O ASP A 52 37.189 17.985 18.419 1.00 0.00 O ATOM 832 CB ASP A 52 36.194 18.585 21.000 1.00 0.00 C ATOM 833 CG ASP A 52 37.523 19.315 20.836 1.00 0.00 C ATOM 834 OD1 ASP A 52 37.495 20.523 20.665 1.00 0.00 O ATOM 835 OD2 ASP A 52 38.549 18.657 20.884 1.00 0.00 O ATOM 0 H ASP A 52 33.841 17.914 20.920 1.00 0.00 H new ATOM 0 HA ASP A 52 35.322 19.799 19.420 1.00 0.00 H new ATOM 0 HB2 ASP A 52 35.659 18.976 21.865 1.00 0.00 H new ATOM 0 HB3 ASP A 52 36.372 17.526 21.187 1.00 0.00 H new ATOM 840 N GLY A 53 35.173 17.186 17.836 1.00 0.00 N ATOM 841 CA GLY A 53 35.754 16.391 16.749 1.00 0.00 C ATOM 842 C GLY A 53 34.718 15.838 15.763 1.00 0.00 C ATOM 843 O GLY A 53 34.940 14.780 15.171 1.00 0.00 O ATOM 0 H GLY A 53 34.161 17.111 17.942 1.00 0.00 H new ATOM 0 HA2 GLY A 53 36.468 17.007 16.203 1.00 0.00 H new ATOM 0 HA3 GLY A 53 36.313 15.559 17.178 1.00 0.00 H new ATOM 847 N ARG A 54 33.597 16.541 15.567 1.00 0.00 N ATOM 848 CA ARG A 54 32.565 16.075 14.623 1.00 0.00 C ATOM 849 C ARG A 54 32.600 16.885 13.327 1.00 0.00 C ATOM 850 O ARG A 54 33.264 17.918 13.242 1.00 0.00 O ATOM 851 CB ARG A 54 31.168 16.180 15.266 1.00 0.00 C ATOM 852 CG ARG A 54 30.902 14.956 16.168 1.00 0.00 C ATOM 853 CD ARG A 54 30.329 13.792 15.343 1.00 0.00 C ATOM 854 NE ARG A 54 30.267 12.585 16.161 1.00 0.00 N ATOM 855 CZ ARG A 54 29.838 11.433 15.655 1.00 0.00 C ATOM 856 NH1 ARG A 54 29.798 10.366 16.407 1.00 0.00 N ATOM 857 NH2 ARG A 54 29.453 11.369 14.411 1.00 0.00 N ATOM 0 H ARG A 54 33.379 17.419 16.038 1.00 0.00 H new ATOM 0 HA ARG A 54 32.774 15.032 14.384 1.00 0.00 H new ATOM 0 HB2 ARG A 54 31.098 17.096 15.853 1.00 0.00 H new ATOM 0 HB3 ARG A 54 30.406 16.241 14.489 1.00 0.00 H new ATOM 0 HG2 ARG A 54 31.828 14.645 16.651 1.00 0.00 H new ATOM 0 HG3 ARG A 54 30.204 15.226 16.960 1.00 0.00 H new ATOM 0 HD2 ARG A 54 29.333 14.048 14.981 1.00 0.00 H new ATOM 0 HD3 ARG A 54 30.952 13.616 14.466 1.00 0.00 H new ATOM 0 HE ARG A 54 30.558 12.626 17.138 1.00 0.00 H new ATOM 0 HH11 ARG A 54 30.096 10.417 17.381 1.00 0.00 H new ATOM 0 HH12 ARG A 54 29.469 9.481 16.020 1.00 0.00 H new ATOM 0 HH21 ARG A 54 29.481 12.203 13.825 1.00 0.00 H new ATOM 0 HH22 ARG A 54 29.124 10.485 14.024 1.00 0.00 H new ATOM 871 N THR A 55 31.866 16.397 12.324 1.00 0.00 N ATOM 872 CA THR A 55 31.784 17.059 11.022 1.00 0.00 C ATOM 873 C THR A 55 30.457 17.791 10.887 1.00 0.00 C ATOM 874 O THR A 55 29.434 17.365 11.440 1.00 0.00 O ATOM 875 CB THR A 55 31.915 16.021 9.903 1.00 0.00 C ATOM 876 OG1 THR A 55 30.982 14.970 10.125 1.00 0.00 O ATOM 877 CG2 THR A 55 33.337 15.449 9.890 1.00 0.00 C ATOM 0 H THR A 55 31.317 15.540 12.391 1.00 0.00 H new ATOM 0 HA THR A 55 32.597 17.781 10.943 1.00 0.00 H new ATOM 0 HB THR A 55 31.711 16.496 8.943 1.00 0.00 H new ATOM 0 HG1 THR A 55 30.334 14.947 9.390 1.00 0.00 H new ATOM 0 HG21 THR A 55 33.425 14.711 9.092 1.00 0.00 H new ATOM 0 HG22 THR A 55 34.052 16.254 9.720 1.00 0.00 H new ATOM 0 HG23 THR A 55 33.547 14.974 10.848 1.00 0.00 H new ATOM 885 N LEU A 56 30.457 18.883 10.130 1.00 0.00 N ATOM 886 CA LEU A 56 29.229 19.626 9.932 1.00 0.00 C ATOM 887 C LEU A 56 28.163 18.703 9.352 1.00 0.00 C ATOM 888 O LEU A 56 26.995 18.805 9.709 1.00 0.00 O ATOM 889 CB LEU A 56 29.474 20.815 8.999 1.00 0.00 C ATOM 890 CG LEU A 56 30.108 21.976 9.781 1.00 0.00 C ATOM 891 CD1 LEU A 56 31.453 21.536 10.374 1.00 0.00 C ATOM 892 CD2 LEU A 56 30.330 23.155 8.829 1.00 0.00 C ATOM 0 H LEU A 56 31.276 19.263 9.655 1.00 0.00 H new ATOM 0 HA LEU A 56 28.882 20.010 10.891 1.00 0.00 H new ATOM 0 HB2 LEU A 56 30.129 20.516 8.181 1.00 0.00 H new ATOM 0 HB3 LEU A 56 28.533 21.137 8.553 1.00 0.00 H new ATOM 0 HG LEU A 56 29.444 22.273 10.593 1.00 0.00 H new ATOM 0 HD11 LEU A 56 31.896 22.365 10.927 1.00 0.00 H new ATOM 0 HD12 LEU A 56 31.296 20.694 11.048 1.00 0.00 H new ATOM 0 HD13 LEU A 56 32.125 21.236 9.570 1.00 0.00 H new ATOM 0 HD21 LEU A 56 30.780 23.984 9.375 1.00 0.00 H new ATOM 0 HD22 LEU A 56 30.995 22.850 8.021 1.00 0.00 H new ATOM 0 HD23 LEU A 56 29.374 23.471 8.412 1.00 0.00 H new ATOM 904 N SER A 57 28.562 17.817 8.436 1.00 0.00 N ATOM 905 CA SER A 57 27.612 16.900 7.803 1.00 0.00 C ATOM 906 C SER A 57 26.698 16.246 8.833 1.00 0.00 C ATOM 907 O SER A 57 25.495 16.078 8.593 1.00 0.00 O ATOM 908 CB SER A 57 28.371 15.817 7.036 1.00 0.00 C ATOM 909 OG SER A 57 29.171 15.072 7.945 1.00 0.00 O ATOM 0 H SER A 57 29.526 17.716 8.119 1.00 0.00 H new ATOM 0 HA SER A 57 26.994 17.479 7.117 1.00 0.00 H new ATOM 0 HB2 SER A 57 27.670 15.157 6.526 1.00 0.00 H new ATOM 0 HB3 SER A 57 28.998 16.270 6.268 1.00 0.00 H new ATOM 0 HG SER A 57 29.658 14.376 7.457 1.00 0.00 H new ATOM 915 N ASP A 58 27.258 15.902 9.988 1.00 0.00 N ATOM 916 CA ASP A 58 26.460 15.299 11.041 1.00 0.00 C ATOM 917 C ASP A 58 25.407 16.301 11.485 1.00 0.00 C ATOM 918 O ASP A 58 24.255 15.952 11.764 1.00 0.00 O ATOM 919 CB ASP A 58 27.350 14.912 12.229 1.00 0.00 C ATOM 920 CG ASP A 58 26.556 14.083 13.235 1.00 0.00 C ATOM 921 OD1 ASP A 58 25.386 13.843 12.984 1.00 0.00 O ATOM 922 OD2 ASP A 58 27.129 13.700 14.242 1.00 0.00 O ATOM 0 H ASP A 58 28.245 16.029 10.214 1.00 0.00 H new ATOM 0 HA ASP A 58 25.980 14.395 10.666 1.00 0.00 H new ATOM 0 HB2 ASP A 58 28.211 14.344 11.878 1.00 0.00 H new ATOM 0 HB3 ASP A 58 27.736 15.810 12.711 1.00 0.00 H new ATOM 927 N TYR A 59 25.827 17.560 11.530 1.00 0.00 N ATOM 928 CA TYR A 59 24.944 18.648 11.930 1.00 0.00 C ATOM 929 C TYR A 59 24.080 19.133 10.757 1.00 0.00 C ATOM 930 O TYR A 59 23.153 19.920 10.951 1.00 0.00 O ATOM 931 CB TYR A 59 25.789 19.805 12.461 1.00 0.00 C ATOM 932 CG TYR A 59 26.396 19.428 13.799 1.00 0.00 C ATOM 933 CD1 TYR A 59 27.758 19.115 13.889 1.00 0.00 C ATOM 934 CD2 TYR A 59 25.596 19.391 14.949 1.00 0.00 C ATOM 935 CE1 TYR A 59 28.319 18.765 15.122 1.00 0.00 C ATOM 936 CE2 TYR A 59 26.157 19.041 16.184 1.00 0.00 C ATOM 937 CZ TYR A 59 27.520 18.728 16.270 1.00 0.00 C ATOM 938 OH TYR A 59 28.073 18.380 17.484 1.00 0.00 O ATOM 0 H TYR A 59 26.775 17.852 11.294 1.00 0.00 H new ATOM 0 HA TYR A 59 24.273 18.281 12.707 1.00 0.00 H new ATOM 0 HB2 TYR A 59 26.578 20.047 11.749 1.00 0.00 H new ATOM 0 HB3 TYR A 59 25.173 20.697 12.570 1.00 0.00 H new ATOM 0 HD1 TYR A 59 28.377 19.144 13.004 1.00 0.00 H new ATOM 0 HD2 TYR A 59 24.545 19.633 14.883 1.00 0.00 H new ATOM 0 HE1 TYR A 59 29.370 18.523 15.188 1.00 0.00 H new ATOM 0 HE2 TYR A 59 25.539 19.012 17.069 1.00 0.00 H new ATOM 0 HH TYR A 59 27.381 18.405 18.178 1.00 0.00 H new ATOM 948 N ASN A 60 24.372 18.658 9.543 1.00 0.00 N ATOM 949 CA ASN A 60 23.591 19.062 8.372 1.00 0.00 C ATOM 950 C ASN A 60 22.239 18.357 8.372 1.00 0.00 C ATOM 951 O ASN A 60 21.193 18.982 8.190 1.00 0.00 O ATOM 952 CB ASN A 60 24.339 18.730 7.077 1.00 0.00 C ATOM 953 CG ASN A 60 23.579 19.296 5.880 1.00 0.00 C ATOM 954 OD1 ASN A 60 22.518 18.787 5.521 1.00 0.00 O ATOM 955 ND2 ASN A 60 24.057 20.329 5.240 1.00 0.00 N ATOM 0 H ASN A 60 25.130 18.004 9.347 1.00 0.00 H new ATOM 0 HA ASN A 60 23.439 20.140 8.424 1.00 0.00 H new ATOM 0 HB2 ASN A 60 25.345 19.147 7.111 1.00 0.00 H new ATOM 0 HB3 ASN A 60 24.445 17.650 6.974 1.00 0.00 H new ATOM 0 HD21 ASN A 60 23.551 20.714 4.443 1.00 0.00 H new ATOM 0 HD22 ASN A 60 24.937 20.751 5.538 1.00 0.00 H new ATOM 962 N ILE A 61 22.257 17.051 8.601 1.00 0.00 N ATOM 963 CA ILE A 61 21.003 16.294 8.639 1.00 0.00 C ATOM 964 C ILE A 61 20.032 16.992 9.589 1.00 0.00 C ATOM 965 O ILE A 61 18.871 17.235 9.255 1.00 0.00 O ATOM 966 CB ILE A 61 21.270 14.861 9.113 1.00 0.00 C ATOM 967 CG1 ILE A 61 22.153 14.150 8.086 1.00 0.00 C ATOM 968 CG2 ILE A 61 19.945 14.112 9.259 1.00 0.00 C ATOM 969 CD1 ILE A 61 22.635 12.814 8.659 1.00 0.00 C ATOM 0 H ILE A 61 23.101 16.500 8.760 1.00 0.00 H new ATOM 0 HA ILE A 61 20.568 16.251 7.640 1.00 0.00 H new ATOM 0 HB ILE A 61 21.776 14.883 10.078 1.00 0.00 H new ATOM 0 HG12 ILE A 61 21.594 13.982 7.165 1.00 0.00 H new ATOM 0 HG13 ILE A 61 23.007 14.777 7.830 1.00 0.00 H new ATOM 0 HG21 ILE A 61 20.138 13.094 9.596 1.00 0.00 H new ATOM 0 HG22 ILE A 61 19.317 14.623 9.989 1.00 0.00 H new ATOM 0 HG23 ILE A 61 19.434 14.085 8.296 1.00 0.00 H new ATOM 0 HD11 ILE A 61 23.264 12.309 7.926 1.00 0.00 H new ATOM 0 HD12 ILE A 61 23.210 12.994 9.567 1.00 0.00 H new ATOM 0 HD13 ILE A 61 21.775 12.187 8.892 1.00 0.00 H new ATOM 981 N GLN A 62 20.534 17.302 10.777 1.00 0.00 N ATOM 982 CA GLN A 62 19.734 17.981 11.788 1.00 0.00 C ATOM 983 C GLN A 62 19.596 19.467 11.446 1.00 0.00 C ATOM 984 O GLN A 62 19.721 20.326 12.319 1.00 0.00 O ATOM 985 CB GLN A 62 20.401 17.829 13.160 1.00 0.00 C ATOM 986 CG GLN A 62 20.524 16.345 13.514 1.00 0.00 C ATOM 987 CD GLN A 62 19.139 15.724 13.660 1.00 0.00 C ATOM 988 OE1 GLN A 62 18.872 14.658 13.102 1.00 0.00 O ATOM 989 NE2 GLN A 62 18.235 16.330 14.380 1.00 0.00 N ATOM 0 H GLN A 62 21.490 17.094 11.064 1.00 0.00 H new ATOM 0 HA GLN A 62 18.742 17.531 11.813 1.00 0.00 H new ATOM 0 HB2 GLN A 62 21.387 18.293 13.149 1.00 0.00 H new ATOM 0 HB3 GLN A 62 19.814 18.346 13.919 1.00 0.00 H new ATOM 0 HG2 GLN A 62 21.085 15.824 12.738 1.00 0.00 H new ATOM 0 HG3 GLN A 62 21.082 16.230 14.443 1.00 0.00 H new ATOM 0 HE21 GLN A 62 18.458 17.212 14.841 1.00 0.00 H new ATOM 0 HE22 GLN A 62 17.306 15.921 14.482 1.00 0.00 H new ATOM 998 N LYS A 63 19.330 19.765 10.171 1.00 0.00 N ATOM 999 CA LYS A 63 19.164 21.155 9.729 1.00 0.00 C ATOM 1000 C LYS A 63 17.794 21.715 10.131 1.00 0.00 C ATOM 1001 O LYS A 63 17.004 22.120 9.271 1.00 0.00 O ATOM 1002 CB LYS A 63 19.341 21.260 8.206 1.00 0.00 C ATOM 1003 CG LYS A 63 18.494 20.194 7.500 1.00 0.00 C ATOM 1004 CD LYS A 63 18.446 20.475 5.996 1.00 0.00 C ATOM 1005 CE LYS A 63 17.616 19.389 5.305 1.00 0.00 C ATOM 1006 NZ LYS A 63 17.561 19.659 3.840 1.00 0.00 N ATOM 0 H LYS A 63 19.225 19.070 9.432 1.00 0.00 H new ATOM 0 HA LYS A 63 19.933 21.749 10.224 1.00 0.00 H new ATOM 0 HB2 LYS A 63 19.047 22.253 7.866 1.00 0.00 H new ATOM 0 HB3 LYS A 63 20.391 21.132 7.945 1.00 0.00 H new ATOM 0 HG2 LYS A 63 18.915 19.205 7.680 1.00 0.00 H new ATOM 0 HG3 LYS A 63 17.484 20.190 7.910 1.00 0.00 H new ATOM 0 HD2 LYS A 63 18.008 21.456 5.811 1.00 0.00 H new ATOM 0 HD3 LYS A 63 19.456 20.494 5.585 1.00 0.00 H new ATOM 0 HE2 LYS A 63 18.056 18.409 5.488 1.00 0.00 H new ATOM 0 HE3 LYS A 63 16.608 19.368 5.719 1.00 0.00 H new ATOM 0 HZ1 LYS A 63 16.997 18.921 3.372 1.00 0.00 H new ATOM 0 HZ2 LYS A 63 17.122 20.587 3.674 1.00 0.00 H new ATOM 0 HZ3 LYS A 63 18.525 19.657 3.450 1.00 0.00 H new ATOM 1020 N GLU A 64 17.517 21.743 11.434 1.00 0.00 N ATOM 1021 CA GLU A 64 16.235 22.257 11.922 1.00 0.00 C ATOM 1022 C GLU A 64 16.005 23.666 11.387 1.00 0.00 C ATOM 1023 O GLU A 64 14.882 24.041 11.056 1.00 0.00 O ATOM 1024 CB GLU A 64 16.243 22.296 13.458 1.00 0.00 C ATOM 1025 CG GLU A 64 16.301 20.871 14.016 1.00 0.00 C ATOM 1026 CD GLU A 64 16.158 20.899 15.537 1.00 0.00 C ATOM 1027 OE1 GLU A 64 15.046 21.075 16.004 1.00 0.00 O ATOM 1028 OE2 GLU A 64 17.165 20.743 16.211 1.00 0.00 O ATOM 0 H GLU A 64 18.153 21.421 12.164 1.00 0.00 H new ATOM 0 HA GLU A 64 15.436 21.601 11.576 1.00 0.00 H new ATOM 0 HB2 GLU A 64 17.100 22.869 13.811 1.00 0.00 H new ATOM 0 HB3 GLU A 64 15.349 22.802 13.822 1.00 0.00 H new ATOM 0 HG2 GLU A 64 15.505 20.268 13.579 1.00 0.00 H new ATOM 0 HG3 GLU A 64 17.245 20.402 13.740 1.00 0.00 H new HETATM 1035 N SEP A 65 17.080 24.444 11.300 1.00 0.00 N HETATM 1036 CA SEP A 65 17.015 25.815 10.792 1.00 0.00 C HETATM 1037 CB SEP A 65 17.253 26.810 11.924 1.00 0.00 C HETATM 1038 OG SEP A 65 16.365 26.527 12.997 1.00 0.00 O HETATM 1039 C SEP A 65 18.069 26.003 9.705 1.00 0.00 C HETATM 1040 O SEP A 65 18.392 25.066 8.975 1.00 0.00 O HETATM 1041 P SEP A 65 16.316 27.463 14.214 1.00 0.00 P HETATM 1042 O1P SEP A 65 15.406 26.736 15.262 1.00 0.00 O HETATM 1043 O2P SEP A 65 15.700 28.801 13.679 1.00 0.00 O HETATM 1044 O3P SEP A 65 17.805 27.610 14.679 1.00 0.00 O HETATM 0 HB3 SEP A 65 18.286 26.748 12.266 1.00 0.00 H new HETATM 0 HB2 SEP A 65 17.097 27.828 11.567 1.00 0.00 H new HETATM 0 HA SEP A 65 16.025 25.994 10.374 1.00 0.00 H new ATOM 1049 N THR A 66 18.617 27.213 9.613 1.00 0.00 N ATOM 1050 CA THR A 66 19.659 27.501 8.627 1.00 0.00 C ATOM 1051 C THR A 66 21.025 27.277 9.259 1.00 0.00 C ATOM 1052 O THR A 66 21.106 26.901 10.428 1.00 0.00 O ATOM 1053 CB THR A 66 19.531 28.956 8.139 1.00 0.00 C ATOM 1054 OG1 THR A 66 19.078 29.775 9.209 1.00 0.00 O ATOM 1055 CG2 THR A 66 18.531 29.017 6.985 1.00 0.00 C ATOM 0 H THR A 66 18.360 28.004 10.203 1.00 0.00 H new ATOM 0 HA THR A 66 19.546 26.835 7.771 1.00 0.00 H new ATOM 0 HB THR A 66 20.502 29.315 7.796 1.00 0.00 H new ATOM 0 HG1 THR A 66 18.418 30.416 8.873 1.00 0.00 H new ATOM 0 HG21 THR A 66 18.439 30.046 6.638 1.00 0.00 H new ATOM 0 HG22 THR A 66 18.881 28.388 6.167 1.00 0.00 H new ATOM 0 HG23 THR A 66 17.559 28.661 7.326 1.00 0.00 H new ATOM 1063 N LEU A 67 22.100 27.486 8.495 1.00 0.00 N ATOM 1064 CA LEU A 67 23.444 27.274 9.009 1.00 0.00 C ATOM 1065 C LEU A 67 23.905 28.469 9.835 1.00 0.00 C ATOM 1066 O LEU A 67 25.066 28.883 9.768 1.00 0.00 O ATOM 1067 CB LEU A 67 24.406 27.059 7.831 1.00 0.00 C ATOM 1068 CG LEU A 67 23.794 26.065 6.828 1.00 0.00 C ATOM 1069 CD1 LEU A 67 24.778 25.807 5.678 1.00 0.00 C ATOM 1070 CD2 LEU A 67 23.487 24.739 7.534 1.00 0.00 C ATOM 0 H LEU A 67 22.061 27.800 7.525 1.00 0.00 H new ATOM 0 HA LEU A 67 23.439 26.395 9.653 1.00 0.00 H new ATOM 0 HB2 LEU A 67 24.608 28.009 7.337 1.00 0.00 H new ATOM 0 HB3 LEU A 67 25.361 26.680 8.195 1.00 0.00 H new ATOM 0 HG LEU A 67 22.873 26.490 6.429 1.00 0.00 H new ATOM 0 HD11 LEU A 67 24.337 25.102 4.973 1.00 0.00 H new ATOM 0 HD12 LEU A 67 24.994 26.745 5.167 1.00 0.00 H new ATOM 0 HD13 LEU A 67 25.703 25.390 6.077 1.00 0.00 H new ATOM 0 HD21 LEU A 67 23.054 24.038 6.820 1.00 0.00 H new ATOM 0 HD22 LEU A 67 24.408 24.321 7.939 1.00 0.00 H new ATOM 0 HD23 LEU A 67 22.780 24.914 8.345 1.00 0.00 H new ATOM 1082 N HIS A 68 22.981 29.003 10.622 1.00 0.00 N ATOM 1083 CA HIS A 68 23.279 30.136 11.485 1.00 0.00 C ATOM 1084 C HIS A 68 23.915 29.627 12.768 1.00 0.00 C ATOM 1085 O HIS A 68 23.350 28.783 13.462 1.00 0.00 O ATOM 1086 CB HIS A 68 21.993 30.896 11.814 1.00 0.00 C ATOM 1087 CG HIS A 68 21.371 31.396 10.541 1.00 0.00 C ATOM 1088 ND1 HIS A 68 22.040 31.354 9.327 1.00 0.00 N ATOM 1089 CD2 HIS A 68 20.145 31.955 10.274 1.00 0.00 C ATOM 1090 CE1 HIS A 68 21.220 31.873 8.395 1.00 0.00 C ATOM 1091 NE2 HIS A 68 20.053 32.256 8.919 1.00 0.00 N ATOM 0 H HIS A 68 22.019 28.669 10.680 1.00 0.00 H new ATOM 0 HA HIS A 68 23.966 30.811 10.974 1.00 0.00 H new ATOM 0 HB2 HIS A 68 21.296 30.244 12.341 1.00 0.00 H new ATOM 0 HB3 HIS A 68 22.211 31.732 12.478 1.00 0.00 H new ATOM 0 HD2 HIS A 68 19.370 32.134 11.005 1.00 0.00 H new ATOM 0 HE1 HIS A 68 21.475 31.968 7.350 1.00 0.00 H new ATOM 0 HE2 HIS A 68 19.264 32.679 8.431 1.00 0.00 H new ATOM 1100 N LEU A 69 25.101 30.136 13.069 1.00 0.00 N ATOM 1101 CA LEU A 69 25.838 29.726 14.259 1.00 0.00 C ATOM 1102 C LEU A 69 25.916 30.872 15.258 1.00 0.00 C ATOM 1103 O LEU A 69 26.180 32.014 14.882 1.00 0.00 O ATOM 1104 CB LEU A 69 27.247 29.297 13.831 1.00 0.00 C ATOM 1105 CG LEU A 69 28.123 28.989 15.054 1.00 0.00 C ATOM 1106 CD1 LEU A 69 27.441 27.936 15.937 1.00 0.00 C ATOM 1107 CD2 LEU A 69 29.480 28.454 14.577 1.00 0.00 C ATOM 0 H LEU A 69 25.577 30.838 12.503 1.00 0.00 H new ATOM 0 HA LEU A 69 25.326 28.894 14.743 1.00 0.00 H new ATOM 0 HB2 LEU A 69 27.185 28.416 13.193 1.00 0.00 H new ATOM 0 HB3 LEU A 69 27.708 30.088 13.239 1.00 0.00 H new ATOM 0 HG LEU A 69 28.266 29.900 15.635 1.00 0.00 H new ATOM 0 HD11 LEU A 69 28.070 27.724 16.802 1.00 0.00 H new ATOM 0 HD12 LEU A 69 26.476 28.314 16.274 1.00 0.00 H new ATOM 0 HD13 LEU A 69 27.292 27.021 15.363 1.00 0.00 H new ATOM 0 HD21 LEU A 69 30.108 28.233 15.440 1.00 0.00 H new ATOM 0 HD22 LEU A 69 29.329 27.544 13.996 1.00 0.00 H new ATOM 0 HD23 LEU A 69 29.969 29.204 13.956 1.00 0.00 H new ATOM 1119 N VAL A 70 25.705 30.555 16.535 1.00 0.00 N ATOM 1120 CA VAL A 70 25.781 31.558 17.588 1.00 0.00 C ATOM 1121 C VAL A 70 27.092 31.405 18.344 1.00 0.00 C ATOM 1122 O VAL A 70 27.401 30.331 18.866 1.00 0.00 O ATOM 1123 CB VAL A 70 24.597 31.409 18.546 1.00 0.00 C ATOM 1124 CG1 VAL A 70 24.805 32.297 19.778 1.00 0.00 C ATOM 1125 CG2 VAL A 70 23.322 31.840 17.825 1.00 0.00 C ATOM 0 H VAL A 70 25.481 29.615 16.861 1.00 0.00 H new ATOM 0 HA VAL A 70 25.741 32.551 17.140 1.00 0.00 H new ATOM 0 HB VAL A 70 24.516 30.370 18.865 1.00 0.00 H new ATOM 0 HG11 VAL A 70 23.958 32.185 20.455 1.00 0.00 H new ATOM 0 HG12 VAL A 70 25.720 32.000 20.290 1.00 0.00 H new ATOM 0 HG13 VAL A 70 24.885 33.338 19.466 1.00 0.00 H new ATOM 0 HG21 VAL A 70 22.471 31.738 18.498 1.00 0.00 H new ATOM 0 HG22 VAL A 70 23.415 32.880 17.512 1.00 0.00 H new ATOM 0 HG23 VAL A 70 23.169 31.210 16.949 1.00 0.00 H new ATOM 1135 N LEU A 71 27.862 32.488 18.400 1.00 0.00 N ATOM 1136 CA LEU A 71 29.148 32.469 19.093 1.00 0.00 C ATOM 1137 C LEU A 71 28.994 32.912 20.544 1.00 0.00 C ATOM 1138 O LEU A 71 28.578 34.036 20.823 1.00 0.00 O ATOM 1139 CB LEU A 71 30.149 33.385 18.380 1.00 0.00 C ATOM 1140 CG LEU A 71 31.570 33.123 18.910 1.00 0.00 C ATOM 1141 CD1 LEU A 71 32.054 31.721 18.488 1.00 0.00 C ATOM 1142 CD2 LEU A 71 32.524 34.185 18.348 1.00 0.00 C ATOM 0 H LEU A 71 27.621 33.384 17.977 1.00 0.00 H new ATOM 0 HA LEU A 71 29.521 31.445 19.079 1.00 0.00 H new ATOM 0 HB2 LEU A 71 30.114 33.209 17.305 1.00 0.00 H new ATOM 0 HB3 LEU A 71 29.878 34.429 18.541 1.00 0.00 H new ATOM 0 HG LEU A 71 31.556 33.175 19.999 1.00 0.00 H new ATOM 0 HD11 LEU A 71 33.060 31.553 18.871 1.00 0.00 H new ATOM 0 HD12 LEU A 71 31.380 30.966 18.894 1.00 0.00 H new ATOM 0 HD13 LEU A 71 32.064 31.652 17.400 1.00 0.00 H new ATOM 0 HD21 LEU A 71 33.532 34.003 18.721 1.00 0.00 H new ATOM 0 HD22 LEU A 71 32.525 34.133 17.259 1.00 0.00 H new ATOM 0 HD23 LEU A 71 32.194 35.175 18.664 1.00 0.00 H new ATOM 1154 N ARG A 72 29.353 32.018 21.461 1.00 0.00 N ATOM 1155 CA ARG A 72 29.280 32.302 22.896 1.00 0.00 C ATOM 1156 C ARG A 72 30.678 32.640 23.410 1.00 0.00 C ATOM 1157 O ARG A 72 31.658 32.014 23.007 1.00 0.00 O ATOM 1158 CB ARG A 72 28.739 31.072 23.635 1.00 0.00 C ATOM 1159 CG ARG A 72 28.259 31.462 25.040 1.00 0.00 C ATOM 1160 CD ARG A 72 27.827 30.205 25.808 1.00 0.00 C ATOM 1161 NE ARG A 72 27.291 30.571 27.116 1.00 0.00 N ATOM 1162 CZ ARG A 72 26.892 29.644 27.982 1.00 0.00 C ATOM 1163 NH1 ARG A 72 26.419 29.997 29.146 1.00 0.00 N ATOM 1164 NH2 ARG A 72 26.974 28.380 27.666 1.00 0.00 N ATOM 0 H ARG A 72 29.699 31.085 21.237 1.00 0.00 H new ATOM 0 HA ARG A 72 28.613 33.146 23.072 1.00 0.00 H new ATOM 0 HB2 ARG A 72 27.916 30.634 23.071 1.00 0.00 H new ATOM 0 HB3 ARG A 72 29.517 30.312 23.707 1.00 0.00 H new ATOM 0 HG2 ARG A 72 29.057 31.972 25.579 1.00 0.00 H new ATOM 0 HG3 ARG A 72 27.425 32.161 24.969 1.00 0.00 H new ATOM 0 HD2 ARG A 72 27.073 29.663 25.237 1.00 0.00 H new ATOM 0 HD3 ARG A 72 28.678 29.535 25.930 1.00 0.00 H new ATOM 0 HE ARG A 72 27.221 31.556 27.370 1.00 0.00 H new ATOM 0 HH11 ARG A 72 26.355 30.985 29.392 1.00 0.00 H new ATOM 0 HH12 ARG A 72 26.113 29.285 29.809 1.00 0.00 H new ATOM 0 HH21 ARG A 72 27.344 28.105 26.756 1.00 0.00 H new ATOM 0 HH22 ARG A 72 26.668 27.668 28.329 1.00 0.00 H new ATOM 1178 N LEU A 73 30.768 33.630 24.297 1.00 0.00 N ATOM 1179 CA LEU A 73 32.061 34.039 24.862 1.00 0.00 C ATOM 1180 C LEU A 73 32.025 33.959 26.385 1.00 0.00 C ATOM 1181 O LEU A 73 31.072 34.421 27.015 1.00 0.00 O ATOM 1182 CB LEU A 73 32.399 35.470 24.426 1.00 0.00 C ATOM 1183 CG LEU A 73 33.899 35.754 24.667 1.00 0.00 C ATOM 1184 CD1 LEU A 73 34.738 35.254 23.481 1.00 0.00 C ATOM 1185 CD2 LEU A 73 34.120 37.262 24.831 1.00 0.00 C ATOM 0 H LEU A 73 29.969 34.163 24.641 1.00 0.00 H new ATOM 0 HA LEU A 73 32.830 33.361 24.491 1.00 0.00 H new ATOM 0 HB2 LEU A 73 32.160 35.604 23.371 1.00 0.00 H new ATOM 0 HB3 LEU A 73 31.791 36.182 24.984 1.00 0.00 H new ATOM 0 HG LEU A 73 34.208 35.231 25.572 1.00 0.00 H new ATOM 0 HD11 LEU A 73 35.792 35.462 23.667 1.00 0.00 H new ATOM 0 HD12 LEU A 73 34.596 34.180 23.362 1.00 0.00 H new ATOM 0 HD13 LEU A 73 34.423 35.765 22.571 1.00 0.00 H new ATOM 0 HD21 LEU A 73 35.179 37.458 25.001 1.00 0.00 H new ATOM 0 HD22 LEU A 73 33.796 37.778 23.927 1.00 0.00 H new ATOM 0 HD23 LEU A 73 33.543 37.624 25.682 1.00 0.00 H new ATOM 1197 N ARG A 74 33.064 33.369 26.973 1.00 0.00 N ATOM 1198 CA ARG A 74 33.136 33.232 28.424 1.00 0.00 C ATOM 1199 C ARG A 74 33.446 34.575 29.078 1.00 0.00 C ATOM 1200 O ARG A 74 34.265 35.346 28.577 1.00 0.00 O ATOM 1201 CB ARG A 74 34.219 32.216 28.800 1.00 0.00 C ATOM 1202 CG ARG A 74 34.105 31.869 30.286 1.00 0.00 C ATOM 1203 CD ARG A 74 35.142 30.802 30.643 1.00 0.00 C ATOM 1204 NE ARG A 74 36.479 31.385 30.666 1.00 0.00 N ATOM 1205 CZ ARG A 74 37.552 30.638 30.908 1.00 0.00 C ATOM 1206 NH1 ARG A 74 38.737 31.183 30.913 1.00 0.00 N ATOM 1207 NH2 ARG A 74 37.420 29.361 31.142 1.00 0.00 N ATOM 0 H ARG A 74 33.862 32.981 26.470 1.00 0.00 H new ATOM 0 HA ARG A 74 32.168 32.882 28.784 1.00 0.00 H new ATOM 0 HB2 ARG A 74 34.111 31.315 28.197 1.00 0.00 H new ATOM 0 HB3 ARG A 74 35.206 32.626 28.587 1.00 0.00 H new ATOM 0 HG2 ARG A 74 34.263 32.761 30.892 1.00 0.00 H new ATOM 0 HG3 ARG A 74 33.102 31.505 30.509 1.00 0.00 H new ATOM 0 HD2 ARG A 74 34.909 30.370 31.616 1.00 0.00 H new ATOM 0 HD3 ARG A 74 35.104 29.990 29.916 1.00 0.00 H new ATOM 0 HE ARG A 74 36.593 32.384 30.493 1.00 0.00 H new ATOM 0 HH11 ARG A 74 38.840 32.181 30.731 1.00 0.00 H new ATOM 0 HH12 ARG A 74 39.561 30.611 31.099 1.00 0.00 H new ATOM 0 HH21 ARG A 74 36.493 28.935 31.139 1.00 0.00 H new ATOM 0 HH22 ARG A 74 38.244 28.789 31.328 1.00 0.00 H new ATOM 1221 N GLY A 75 32.786 34.848 30.198 1.00 0.00 N ATOM 1222 CA GLY A 75 32.997 36.102 30.912 1.00 0.00 C ATOM 1223 C GLY A 75 32.190 36.139 32.206 1.00 0.00 C ATOM 1224 O GLY A 75 31.779 35.100 32.722 1.00 0.00 O ATOM 0 H GLY A 75 32.105 34.223 30.629 1.00 0.00 H new ATOM 0 HA2 GLY A 75 34.057 36.222 31.137 1.00 0.00 H new ATOM 0 HA3 GLY A 75 32.709 36.939 30.276 1.00 0.00 H new ATOM 1228 N GLY A 76 31.969 37.342 32.724 1.00 0.00 N ATOM 1229 CA GLY A 76 31.210 37.504 33.959 1.00 0.00 C ATOM 1230 C GLY A 76 29.742 37.153 33.748 1.00 0.00 C ATOM 1231 O GLY A 76 29.248 37.385 32.657 1.00 0.00 O ATOM 1232 OXT GLY A 76 29.131 36.659 34.682 1.00 0.00 O ATOM 0 H GLY A 76 32.302 38.214 32.312 1.00 0.00 H new ATOM 0 HA2 GLY A 76 31.632 36.866 34.736 1.00 0.00 H new ATOM 0 HA3 GLY A 76 31.295 38.532 34.310 1.00 0.00 H new TER 1236 GLY A 76