USER MOD reduce.3.24.130724 H: found=0, std=0, add=628, rem=0, adj=19 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 -171:sc= -0.711! USER MOD Set 1.2: A 68 HIS : no HD1:sc= -2.19! C(o=-2.9!,f=-6.3!) USER MOD Set 2.1: A 55 THR OG1 : rot 118:sc= 0.692 USER MOD Set 2.2: A 57 SER OG : rot 180:sc= 0.622 USER MOD Set 3.1: A 7 THR OG1 : rot -54:sc= 0.0459 USER MOD Set 3.2: A 9 THR OG1 : rot 180:sc= -0.0152 USER MOD Set 3.3: A 11 LYS NZ :NH3+ 170:sc= 0 (180deg=-0.101) USER MOD Single : A 1 MET CE :methyl -141:sc= 0 (180deg=-0.581) USER MOD Single : A 1 MET N :NH3+ 167:sc= 0.181 (180deg=-0.766!) USER MOD Single : A 2 GLN : amide:sc= 0 K(o=0,f=-0.87) USER MOD Single : A 6 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 -84:sc= 0.274 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= -0.78 F(o=-4.7!,f=-0.78) USER MOD Single : A 27 LYS NZ :NH3+ -133:sc= 1.27 (180deg=0.0749) USER MOD Single : A 29 LYS NZ :NH3+ -163:sc= -0.0777 (180deg=-0.557) USER MOD Single : A 31 GLN : amide:sc= -0.198 K(o=-0.2,f=-0.82) USER MOD Single : A 33 LYS NZ :NH3+ 142:sc= 0 (180deg=-1.49!) USER MOD Single : A 40 GLN : amide:sc= -0.174 K(o=-0.17,f=-1.8!) USER MOD Single : A 41 GLN : amide:sc= -0.611 K(o=-0.61,f=-6.3!) USER MOD Single : A 48 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 49 GLN :FLIP amide:sc= -0.13 F(o=-0.96,f=-0.13) USER MOD Single : A 59 TYR OH : rot 180:sc= -0.239 USER MOD Single : A 60 ASN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 62 GLN : amide:sc= 0 K(o=0,f=-0.55) USER MOD Single : A 63 LYS NZ :NH3+ 169:sc= 0 (180deg=-0.135) USER MOD ----------------------------------------------------------------- ATOM 1 N MET A 1 30.095 24.737 1.356 1.00 0.00 N ATOM 2 CA MET A 1 28.817 25.493 1.493 1.00 0.00 C ATOM 3 C MET A 1 29.085 26.807 2.224 1.00 0.00 C ATOM 4 O MET A 1 30.162 27.391 2.092 1.00 0.00 O ATOM 5 CB MET A 1 27.808 24.647 2.277 1.00 0.00 C ATOM 6 CG MET A 1 28.369 24.325 3.665 1.00 0.00 C ATOM 7 SD MET A 1 27.200 23.268 4.553 1.00 0.00 S ATOM 8 CE MET A 1 27.948 23.427 6.193 1.00 0.00 C ATOM 0 H1 MET A 1 29.891 23.760 1.064 1.00 0.00 H new ATOM 0 H2 MET A 1 30.694 25.195 0.640 1.00 0.00 H new ATOM 0 H3 MET A 1 30.593 24.728 2.269 1.00 0.00 H new ATOM 0 HA MET A 1 28.406 25.711 0.507 1.00 0.00 H new ATOM 0 HB2 MET A 1 26.865 25.185 2.372 1.00 0.00 H new ATOM 0 HB3 MET A 1 27.596 23.724 1.737 1.00 0.00 H new ATOM 0 HG2 MET A 1 29.333 23.824 3.573 1.00 0.00 H new ATOM 0 HG3 MET A 1 28.541 25.246 4.223 1.00 0.00 H new ATOM 0 HE1 MET A 1 27.910 22.466 6.705 1.00 0.00 H new ATOM 0 HE2 MET A 1 28.986 23.742 6.090 1.00 0.00 H new ATOM 0 HE3 MET A 1 27.399 24.169 6.773 1.00 0.00 H new ATOM 20 N GLN A 2 28.104 27.267 3.003 1.00 0.00 N ATOM 21 CA GLN A 2 28.241 28.503 3.756 1.00 0.00 C ATOM 22 C GLN A 2 27.509 28.397 5.094 1.00 0.00 C ATOM 23 O GLN A 2 26.536 27.654 5.229 1.00 0.00 O ATOM 24 CB GLN A 2 27.661 29.664 2.943 1.00 0.00 C ATOM 25 CG GLN A 2 28.642 30.062 1.837 1.00 0.00 C ATOM 26 CD GLN A 2 28.046 31.177 0.987 1.00 0.00 C ATOM 27 OE1 GLN A 2 27.322 32.031 1.499 1.00 0.00 O ATOM 28 NE2 GLN A 2 28.311 31.222 -0.290 1.00 0.00 N ATOM 0 H GLN A 2 27.207 26.797 3.125 1.00 0.00 H new ATOM 0 HA GLN A 2 29.299 28.682 3.949 1.00 0.00 H new ATOM 0 HB2 GLN A 2 26.705 29.373 2.507 1.00 0.00 H new ATOM 0 HB3 GLN A 2 27.468 30.516 3.595 1.00 0.00 H new ATOM 0 HG2 GLN A 2 29.583 30.392 2.276 1.00 0.00 H new ATOM 0 HG3 GLN A 2 28.868 29.198 1.212 1.00 0.00 H new ATOM 0 HE21 GLN A 2 28.911 30.513 -0.712 1.00 0.00 H new ATOM 0 HE22 GLN A 2 27.918 31.966 -0.867 1.00 0.00 H new ATOM 37 N ILE A 3 27.987 29.159 6.077 1.00 0.00 N ATOM 38 CA ILE A 3 27.380 29.168 7.404 1.00 0.00 C ATOM 39 C ILE A 3 27.402 30.573 8.001 1.00 0.00 C ATOM 40 O ILE A 3 28.312 31.355 7.745 1.00 0.00 O ATOM 41 CB ILE A 3 28.121 28.208 8.328 1.00 0.00 C ATOM 42 CG1 ILE A 3 29.591 28.627 8.450 1.00 0.00 C ATOM 43 CG2 ILE A 3 28.047 26.787 7.762 1.00 0.00 C ATOM 44 CD1 ILE A 3 30.279 27.760 9.500 1.00 0.00 C ATOM 0 H ILE A 3 28.792 29.777 5.978 1.00 0.00 H new ATOM 0 HA ILE A 3 26.343 28.846 7.305 1.00 0.00 H new ATOM 0 HB ILE A 3 27.655 28.235 9.313 1.00 0.00 H new ATOM 0 HG12 ILE A 3 30.092 28.519 7.488 1.00 0.00 H new ATOM 0 HG13 ILE A 3 29.659 29.678 8.729 1.00 0.00 H new ATOM 0 HG21 ILE A 3 28.578 26.103 8.425 1.00 0.00 H new ATOM 0 HG22 ILE A 3 27.004 26.480 7.684 1.00 0.00 H new ATOM 0 HG23 ILE A 3 28.507 26.764 6.774 1.00 0.00 H new ATOM 0 HD11 ILE A 3 31.324 28.056 9.588 1.00 0.00 H new ATOM 0 HD12 ILE A 3 29.782 27.890 10.462 1.00 0.00 H new ATOM 0 HD13 ILE A 3 30.223 26.713 9.201 1.00 0.00 H new ATOM 56 N PHE A 4 26.378 30.889 8.784 1.00 0.00 N ATOM 57 CA PHE A 4 26.262 32.209 9.407 1.00 0.00 C ATOM 58 C PHE A 4 26.810 32.179 10.824 1.00 0.00 C ATOM 59 O PHE A 4 26.426 31.319 11.617 1.00 0.00 O ATOM 60 CB PHE A 4 24.791 32.631 9.446 1.00 0.00 C ATOM 61 CG PHE A 4 24.300 32.921 8.048 1.00 0.00 C ATOM 62 CD1 PHE A 4 23.755 31.892 7.271 1.00 0.00 C ATOM 63 CD2 PHE A 4 24.378 34.221 7.532 1.00 0.00 C ATOM 64 CE1 PHE A 4 23.293 32.160 5.978 1.00 0.00 C ATOM 65 CE2 PHE A 4 23.916 34.489 6.238 1.00 0.00 C ATOM 66 CZ PHE A 4 23.371 33.459 5.461 1.00 0.00 C ATOM 0 H PHE A 4 25.613 30.251 9.005 1.00 0.00 H new ATOM 0 HA PHE A 4 26.838 32.923 8.818 1.00 0.00 H new ATOM 0 HB2 PHE A 4 24.189 31.841 9.895 1.00 0.00 H new ATOM 0 HB3 PHE A 4 24.674 33.516 10.072 1.00 0.00 H new ATOM 0 HD1 PHE A 4 23.691 30.890 7.670 1.00 0.00 H new ATOM 0 HD2 PHE A 4 24.794 35.016 8.132 1.00 0.00 H new ATOM 0 HE1 PHE A 4 22.876 31.365 5.378 1.00 0.00 H new ATOM 0 HE2 PHE A 4 23.980 35.490 5.839 1.00 0.00 H new ATOM 0 HZ PHE A 4 23.011 33.666 4.464 1.00 0.00 H new ATOM 76 N VAL A 5 27.700 33.123 11.152 1.00 0.00 N ATOM 77 CA VAL A 5 28.283 33.194 12.493 1.00 0.00 C ATOM 78 C VAL A 5 27.816 34.454 13.210 1.00 0.00 C ATOM 79 O VAL A 5 28.130 35.576 12.812 1.00 0.00 O ATOM 80 CB VAL A 5 29.816 33.168 12.406 1.00 0.00 C ATOM 81 CG1 VAL A 5 30.428 33.599 13.751 1.00 0.00 C ATOM 82 CG2 VAL A 5 30.266 31.739 12.088 1.00 0.00 C ATOM 0 H VAL A 5 28.030 33.844 10.510 1.00 0.00 H new ATOM 0 HA VAL A 5 27.949 32.327 13.064 1.00 0.00 H new ATOM 0 HB VAL A 5 30.147 33.854 11.626 1.00 0.00 H new ATOM 0 HG11 VAL A 5 31.515 33.577 13.680 1.00 0.00 H new ATOM 0 HG12 VAL A 5 30.100 34.610 13.993 1.00 0.00 H new ATOM 0 HG13 VAL A 5 30.102 32.915 14.535 1.00 0.00 H new ATOM 0 HG21 VAL A 5 31.354 31.706 12.023 1.00 0.00 H new ATOM 0 HG22 VAL A 5 29.929 31.067 12.877 1.00 0.00 H new ATOM 0 HG23 VAL A 5 29.836 31.425 11.137 1.00 0.00 H new ATOM 92 N LYS A 6 27.057 34.237 14.263 1.00 0.00 N ATOM 93 CA LYS A 6 26.522 35.332 15.059 1.00 0.00 C ATOM 94 C LYS A 6 27.472 35.672 16.210 1.00 0.00 C ATOM 95 O LYS A 6 27.540 34.942 17.205 1.00 0.00 O ATOM 96 CB LYS A 6 25.159 34.906 15.600 1.00 0.00 C ATOM 97 CG LYS A 6 24.332 36.125 15.991 1.00 0.00 C ATOM 98 CD LYS A 6 22.963 35.642 16.473 1.00 0.00 C ATOM 99 CE LYS A 6 22.066 36.836 16.796 1.00 0.00 C ATOM 100 NZ LYS A 6 20.747 36.339 17.285 1.00 0.00 N ATOM 0 H LYS A 6 26.793 33.309 14.593 1.00 0.00 H new ATOM 0 HA LYS A 6 26.417 36.224 14.442 1.00 0.00 H new ATOM 0 HB2 LYS A 6 24.627 34.326 14.846 1.00 0.00 H new ATOM 0 HB3 LYS A 6 25.292 34.257 16.466 1.00 0.00 H new ATOM 0 HG2 LYS A 6 24.834 36.688 16.777 1.00 0.00 H new ATOM 0 HG3 LYS A 6 24.220 36.797 15.140 1.00 0.00 H new ATOM 0 HD2 LYS A 6 22.496 35.024 15.706 1.00 0.00 H new ATOM 0 HD3 LYS A 6 23.081 35.016 17.358 1.00 0.00 H new ATOM 0 HE2 LYS A 6 22.535 37.464 17.553 1.00 0.00 H new ATOM 0 HE3 LYS A 6 21.929 37.454 15.909 1.00 0.00 H new ATOM 0 HZ1 LYS A 6 20.132 37.148 17.507 1.00 0.00 H new ATOM 0 HZ2 LYS A 6 20.301 35.756 16.548 1.00 0.00 H new ATOM 0 HZ3 LYS A 6 20.888 35.766 18.142 1.00 0.00 H new ATOM 114 N THR A 7 28.202 36.782 16.066 1.00 0.00 N ATOM 115 CA THR A 7 29.145 37.212 17.098 1.00 0.00 C ATOM 116 C THR A 7 28.391 37.789 18.295 1.00 0.00 C ATOM 117 O THR A 7 27.194 38.061 18.210 1.00 0.00 O ATOM 118 CB THR A 7 30.112 38.255 16.534 1.00 0.00 C ATOM 119 OG1 THR A 7 29.388 39.420 16.170 1.00 0.00 O ATOM 120 CG2 THR A 7 30.829 37.685 15.304 1.00 0.00 C ATOM 0 H THR A 7 28.158 37.394 15.251 1.00 0.00 H new ATOM 0 HA THR A 7 29.718 36.345 17.427 1.00 0.00 H new ATOM 0 HB THR A 7 30.853 38.510 17.292 1.00 0.00 H new ATOM 0 HG1 THR A 7 28.662 39.176 15.558 1.00 0.00 H new ATOM 0 HG21 THR A 7 31.517 38.431 14.905 1.00 0.00 H new ATOM 0 HG22 THR A 7 31.387 36.793 15.589 1.00 0.00 H new ATOM 0 HG23 THR A 7 30.094 37.425 14.542 1.00 0.00 H new ATOM 128 N LEU A 8 29.083 37.987 19.414 1.00 0.00 N ATOM 129 CA LEU A 8 28.436 38.524 20.604 1.00 0.00 C ATOM 130 C LEU A 8 28.147 40.011 20.458 1.00 0.00 C ATOM 131 O LEU A 8 27.163 40.512 21.002 1.00 0.00 O ATOM 132 CB LEU A 8 29.332 38.289 21.827 1.00 0.00 C ATOM 133 CG LEU A 8 29.320 36.802 22.224 1.00 0.00 C ATOM 134 CD1 LEU A 8 27.913 36.375 22.699 1.00 0.00 C ATOM 135 CD2 LEU A 8 29.752 35.938 21.028 1.00 0.00 C ATOM 0 H LEU A 8 30.077 37.787 19.520 1.00 0.00 H new ATOM 0 HA LEU A 8 27.485 38.007 20.735 1.00 0.00 H new ATOM 0 HB2 LEU A 8 30.351 38.604 21.605 1.00 0.00 H new ATOM 0 HB3 LEU A 8 28.985 38.898 22.662 1.00 0.00 H new ATOM 0 HG LEU A 8 30.021 36.658 23.046 1.00 0.00 H new ATOM 0 HD11 LEU A 8 27.927 35.321 22.975 1.00 0.00 H new ATOM 0 HD12 LEU A 8 27.624 36.973 23.564 1.00 0.00 H new ATOM 0 HD13 LEU A 8 27.195 36.530 21.894 1.00 0.00 H new ATOM 0 HD21 LEU A 8 29.741 34.887 21.316 1.00 0.00 H new ATOM 0 HD22 LEU A 8 29.062 36.094 20.198 1.00 0.00 H new ATOM 0 HD23 LEU A 8 30.759 36.220 20.721 1.00 0.00 H new ATOM 147 N THR A 9 29.004 40.716 19.734 1.00 0.00 N ATOM 148 CA THR A 9 28.811 42.146 19.545 1.00 0.00 C ATOM 149 C THR A 9 27.610 42.408 18.645 1.00 0.00 C ATOM 150 O THR A 9 27.292 43.559 18.341 1.00 0.00 O ATOM 151 CB THR A 9 30.064 42.773 18.930 1.00 0.00 C ATOM 152 OG1 THR A 9 30.326 42.170 17.671 1.00 0.00 O ATOM 153 CG2 THR A 9 31.257 42.556 19.863 1.00 0.00 C ATOM 0 H THR A 9 29.828 40.329 19.274 1.00 0.00 H new ATOM 0 HA THR A 9 28.627 42.599 20.519 1.00 0.00 H new ATOM 0 HB THR A 9 29.905 43.843 18.793 1.00 0.00 H new ATOM 0 HG1 THR A 9 31.128 42.572 17.276 1.00 0.00 H new ATOM 0 HG21 THR A 9 32.149 43.003 19.424 1.00 0.00 H new ATOM 0 HG22 THR A 9 31.055 43.023 20.827 1.00 0.00 H new ATOM 0 HG23 THR A 9 31.419 41.487 20.004 1.00 0.00 H new ATOM 161 N GLY A 10 26.940 41.336 18.221 1.00 0.00 N ATOM 162 CA GLY A 10 25.773 41.476 17.360 1.00 0.00 C ATOM 163 C GLY A 10 26.190 41.644 15.906 1.00 0.00 C ATOM 164 O GLY A 10 25.366 41.969 15.051 1.00 0.00 O ATOM 0 H GLY A 10 27.184 40.374 18.458 1.00 0.00 H new ATOM 0 HA2 GLY A 10 25.134 40.599 17.461 1.00 0.00 H new ATOM 0 HA3 GLY A 10 25.184 42.337 17.676 1.00 0.00 H new ATOM 168 N LYS A 11 27.467 41.391 15.619 1.00 0.00 N ATOM 169 CA LYS A 11 27.970 41.483 14.252 1.00 0.00 C ATOM 170 C LYS A 11 27.844 40.126 13.572 1.00 0.00 C ATOM 171 O LYS A 11 28.515 39.168 13.955 1.00 0.00 O ATOM 172 CB LYS A 11 29.435 41.931 14.253 1.00 0.00 C ATOM 173 CG LYS A 11 29.526 43.387 14.714 1.00 0.00 C ATOM 174 CD LYS A 11 30.945 43.912 14.480 1.00 0.00 C ATOM 175 CE LYS A 11 30.998 45.407 14.807 1.00 0.00 C ATOM 176 NZ LYS A 11 30.890 45.597 16.281 1.00 0.00 N ATOM 0 H LYS A 11 28.167 41.123 16.311 1.00 0.00 H new ATOM 0 HA LYS A 11 27.381 42.220 13.706 1.00 0.00 H new ATOM 0 HB2 LYS A 11 30.021 41.292 14.914 1.00 0.00 H new ATOM 0 HB3 LYS A 11 29.858 41.828 13.254 1.00 0.00 H new ATOM 0 HG2 LYS A 11 28.807 43.998 14.168 1.00 0.00 H new ATOM 0 HG3 LYS A 11 29.270 43.461 15.771 1.00 0.00 H new ATOM 0 HD2 LYS A 11 31.653 43.367 15.104 1.00 0.00 H new ATOM 0 HD3 LYS A 11 31.240 43.745 13.444 1.00 0.00 H new ATOM 0 HE2 LYS A 11 31.930 45.837 14.441 1.00 0.00 H new ATOM 0 HE3 LYS A 11 30.186 45.930 14.302 1.00 0.00 H new ATOM 0 HZ1 LYS A 11 31.094 46.589 16.519 1.00 0.00 H new ATOM 0 HZ2 LYS A 11 29.927 45.358 16.592 1.00 0.00 H new ATOM 0 HZ3 LYS A 11 31.573 44.978 16.762 1.00 0.00 H new ATOM 190 N THR A 12 26.977 40.042 12.571 1.00 0.00 N ATOM 191 CA THR A 12 26.767 38.789 11.849 1.00 0.00 C ATOM 192 C THR A 12 27.584 38.771 10.563 1.00 0.00 C ATOM 193 O THR A 12 27.477 39.679 9.739 1.00 0.00 O ATOM 194 CB THR A 12 25.284 38.637 11.508 1.00 0.00 C ATOM 195 OG1 THR A 12 24.526 38.642 12.709 1.00 0.00 O ATOM 196 CG2 THR A 12 25.060 37.316 10.765 1.00 0.00 C ATOM 0 H THR A 12 26.409 40.822 12.240 1.00 0.00 H new ATOM 0 HA THR A 12 27.088 37.963 12.483 1.00 0.00 H new ATOM 0 HB THR A 12 24.968 39.464 10.872 1.00 0.00 H new ATOM 0 HG1 THR A 12 23.574 38.547 12.496 1.00 0.00 H new ATOM 0 HG21 THR A 12 24.003 37.209 10.523 1.00 0.00 H new ATOM 0 HG22 THR A 12 25.645 37.312 9.845 1.00 0.00 H new ATOM 0 HG23 THR A 12 25.373 36.485 11.397 1.00 0.00 H new ATOM 204 N ILE A 13 28.391 37.724 10.388 1.00 0.00 N ATOM 205 CA ILE A 13 29.216 37.588 9.183 1.00 0.00 C ATOM 206 C ILE A 13 29.166 36.156 8.670 1.00 0.00 C ATOM 207 O ILE A 13 29.192 35.202 9.448 1.00 0.00 O ATOM 208 CB ILE A 13 30.664 37.975 9.483 1.00 0.00 C ATOM 209 CG1 ILE A 13 31.132 37.246 10.744 1.00 0.00 C ATOM 210 CG2 ILE A 13 30.752 39.491 9.686 1.00 0.00 C ATOM 211 CD1 ILE A 13 32.533 37.723 11.127 1.00 0.00 C ATOM 0 H ILE A 13 28.492 36.962 11.059 1.00 0.00 H new ATOM 0 HA ILE A 13 28.821 38.256 8.418 1.00 0.00 H new ATOM 0 HB ILE A 13 31.305 37.690 8.649 1.00 0.00 H new ATOM 0 HG12 ILE A 13 30.437 37.434 11.563 1.00 0.00 H new ATOM 0 HG13 ILE A 13 31.139 36.170 10.572 1.00 0.00 H new ATOM 0 HG21 ILE A 13 31.784 39.770 9.900 1.00 0.00 H new ATOM 0 HG22 ILE A 13 30.419 39.999 8.781 1.00 0.00 H new ATOM 0 HG23 ILE A 13 30.116 39.784 10.521 1.00 0.00 H new ATOM 0 HD11 ILE A 13 32.862 37.201 12.026 1.00 0.00 H new ATOM 0 HD12 ILE A 13 33.225 37.513 10.311 1.00 0.00 H new ATOM 0 HD13 ILE A 13 32.513 38.796 11.318 1.00 0.00 H new ATOM 223 N THR A 14 29.058 36.015 7.353 1.00 0.00 N ATOM 224 CA THR A 14 28.965 34.692 6.741 1.00 0.00 C ATOM 225 C THR A 14 30.345 34.062 6.576 1.00 0.00 C ATOM 226 O THR A 14 31.343 34.751 6.364 1.00 0.00 O ATOM 227 CB THR A 14 28.269 34.795 5.382 1.00 0.00 C ATOM 228 OG1 THR A 14 27.032 35.475 5.545 1.00 0.00 O ATOM 229 CG2 THR A 14 28.006 33.389 4.825 1.00 0.00 C ATOM 0 H THR A 14 29.033 36.792 6.693 1.00 0.00 H new ATOM 0 HA THR A 14 28.379 34.052 7.400 1.00 0.00 H new ATOM 0 HB THR A 14 28.906 35.343 4.688 1.00 0.00 H new ATOM 0 HG1 THR A 14 26.342 34.837 5.823 1.00 0.00 H new ATOM 0 HG21 THR A 14 27.510 33.468 3.857 1.00 0.00 H new ATOM 0 HG22 THR A 14 28.953 32.862 4.706 1.00 0.00 H new ATOM 0 HG23 THR A 14 27.368 32.838 5.516 1.00 0.00 H new ATOM 237 N LEU A 15 30.377 32.737 6.704 1.00 0.00 N ATOM 238 CA LEU A 15 31.613 31.961 6.603 1.00 0.00 C ATOM 239 C LEU A 15 31.523 30.943 5.464 1.00 0.00 C ATOM 240 O LEU A 15 30.575 30.161 5.391 1.00 0.00 O ATOM 241 CB LEU A 15 31.838 31.219 7.947 1.00 0.00 C ATOM 242 CG LEU A 15 33.234 31.503 8.520 1.00 0.00 C ATOM 243 CD1 LEU A 15 33.274 32.909 9.116 1.00 0.00 C ATOM 244 CD2 LEU A 15 33.549 30.479 9.619 1.00 0.00 C ATOM 0 H LEU A 15 29.547 32.170 6.881 1.00 0.00 H new ATOM 0 HA LEU A 15 32.445 32.633 6.394 1.00 0.00 H new ATOM 0 HB2 LEU A 15 31.079 31.528 8.666 1.00 0.00 H new ATOM 0 HB3 LEU A 15 31.717 30.146 7.796 1.00 0.00 H new ATOM 0 HG LEU A 15 33.972 31.429 7.722 1.00 0.00 H new ATOM 0 HD11 LEU A 15 34.267 33.104 9.521 1.00 0.00 H new ATOM 0 HD12 LEU A 15 33.048 33.640 8.339 1.00 0.00 H new ATOM 0 HD13 LEU A 15 32.535 32.987 9.914 1.00 0.00 H new ATOM 0 HD21 LEU A 15 34.540 30.678 10.028 1.00 0.00 H new ATOM 0 HD22 LEU A 15 32.806 30.557 10.413 1.00 0.00 H new ATOM 0 HD23 LEU A 15 33.525 29.474 9.198 1.00 0.00 H new ATOM 256 N GLU A 16 32.534 30.933 4.606 1.00 0.00 N ATOM 257 CA GLU A 16 32.578 29.973 3.503 1.00 0.00 C ATOM 258 C GLU A 16 33.411 28.771 3.937 1.00 0.00 C ATOM 259 O GLU A 16 34.578 28.921 4.297 1.00 0.00 O ATOM 260 CB GLU A 16 33.205 30.616 2.257 1.00 0.00 C ATOM 261 CG GLU A 16 32.906 29.751 1.029 1.00 0.00 C ATOM 262 CD GLU A 16 33.532 30.374 -0.214 1.00 0.00 C ATOM 263 OE1 GLU A 16 33.067 31.425 -0.623 1.00 0.00 O ATOM 264 OE2 GLU A 16 34.465 29.790 -0.739 1.00 0.00 O ATOM 0 H GLU A 16 33.329 31.571 4.648 1.00 0.00 H new ATOM 0 HA GLU A 16 31.565 29.658 3.254 1.00 0.00 H new ATOM 0 HB2 GLU A 16 32.806 31.620 2.113 1.00 0.00 H new ATOM 0 HB3 GLU A 16 34.282 30.717 2.390 1.00 0.00 H new ATOM 0 HG2 GLU A 16 33.298 28.745 1.178 1.00 0.00 H new ATOM 0 HG3 GLU A 16 31.828 29.656 0.895 1.00 0.00 H new ATOM 271 N VAL A 17 32.815 27.582 3.908 1.00 0.00 N ATOM 272 CA VAL A 17 33.530 26.369 4.309 1.00 0.00 C ATOM 273 C VAL A 17 32.956 25.146 3.614 1.00 0.00 C ATOM 274 O VAL A 17 31.934 25.211 2.933 1.00 0.00 O ATOM 275 CB VAL A 17 33.459 26.197 5.839 1.00 0.00 C ATOM 276 CG1 VAL A 17 32.000 26.150 6.312 1.00 0.00 C ATOM 277 CG2 VAL A 17 34.177 24.921 6.308 1.00 0.00 C ATOM 0 H VAL A 17 31.850 27.431 3.615 1.00 0.00 H new ATOM 0 HA VAL A 17 34.573 26.470 4.010 1.00 0.00 H new ATOM 0 HB VAL A 17 33.963 27.059 6.276 1.00 0.00 H new ATOM 0 HG11 VAL A 17 31.972 26.028 7.395 1.00 0.00 H new ATOM 0 HG12 VAL A 17 31.499 27.078 6.038 1.00 0.00 H new ATOM 0 HG13 VAL A 17 31.491 25.310 5.839 1.00 0.00 H new ATOM 0 HG21 VAL A 17 34.102 24.839 7.392 1.00 0.00 H new ATOM 0 HG22 VAL A 17 33.711 24.051 5.846 1.00 0.00 H new ATOM 0 HG23 VAL A 17 35.227 24.967 6.019 1.00 0.00 H new ATOM 287 N GLU A 18 33.630 24.039 3.822 1.00 0.00 N ATOM 288 CA GLU A 18 33.217 22.750 3.255 1.00 0.00 C ATOM 289 C GLU A 18 32.369 21.985 4.280 1.00 0.00 C ATOM 290 O GLU A 18 32.699 21.987 5.466 1.00 0.00 O ATOM 291 CB GLU A 18 34.444 21.913 2.889 1.00 0.00 C ATOM 292 CG GLU A 18 35.409 22.759 2.060 1.00 0.00 C ATOM 293 CD GLU A 18 34.740 23.187 0.758 1.00 0.00 C ATOM 294 OE1 GLU A 18 33.882 22.457 0.288 1.00 0.00 O ATOM 295 OE2 GLU A 18 35.094 24.238 0.251 1.00 0.00 O ATOM 0 H GLU A 18 34.479 23.993 4.385 1.00 0.00 H new ATOM 0 HA GLU A 18 32.631 22.935 2.355 1.00 0.00 H new ATOM 0 HB2 GLU A 18 34.939 21.559 3.793 1.00 0.00 H new ATOM 0 HB3 GLU A 18 34.141 21.031 2.325 1.00 0.00 H new ATOM 0 HG2 GLU A 18 35.715 23.638 2.627 1.00 0.00 H new ATOM 0 HG3 GLU A 18 36.312 22.189 1.844 1.00 0.00 H new ATOM 302 N PRO A 19 31.294 21.338 3.877 1.00 0.00 N ATOM 303 CA PRO A 19 30.427 20.587 4.835 1.00 0.00 C ATOM 304 C PRO A 19 31.138 19.366 5.413 1.00 0.00 C ATOM 305 O PRO A 19 30.572 18.641 6.230 1.00 0.00 O ATOM 306 CB PRO A 19 29.207 20.182 3.989 1.00 0.00 C ATOM 307 CG PRO A 19 29.709 20.152 2.581 1.00 0.00 C ATOM 308 CD PRO A 19 30.787 21.236 2.493 1.00 0.00 C ATOM 0 HA PRO A 19 30.156 21.187 5.704 1.00 0.00 H new ATOM 0 HB2 PRO A 19 28.822 19.208 4.292 1.00 0.00 H new ATOM 0 HB3 PRO A 19 28.392 20.897 4.103 1.00 0.00 H new ATOM 0 HG2 PRO A 19 30.119 19.173 2.334 1.00 0.00 H new ATOM 0 HG3 PRO A 19 28.902 20.347 1.875 1.00 0.00 H new ATOM 0 HD2 PRO A 19 31.578 20.959 1.796 1.00 0.00 H new ATOM 0 HD3 PRO A 19 30.375 22.184 2.147 1.00 0.00 H new ATOM 316 N SER A 20 32.380 19.146 4.988 1.00 0.00 N ATOM 317 CA SER A 20 33.164 18.010 5.475 1.00 0.00 C ATOM 318 C SER A 20 34.235 18.485 6.452 1.00 0.00 C ATOM 319 O SER A 20 34.706 17.717 7.288 1.00 0.00 O ATOM 320 CB SER A 20 33.815 17.287 4.295 1.00 0.00 C ATOM 321 OG SER A 20 34.781 18.138 3.695 1.00 0.00 O ATOM 0 H SER A 20 32.865 19.735 4.311 1.00 0.00 H new ATOM 0 HA SER A 20 32.500 17.320 5.995 1.00 0.00 H new ATOM 0 HB2 SER A 20 34.287 16.365 4.635 1.00 0.00 H new ATOM 0 HB3 SER A 20 33.057 17.006 3.564 1.00 0.00 H new ATOM 0 HG SER A 20 35.200 17.675 2.940 1.00 0.00 H new ATOM 327 N ASP A 21 34.631 19.749 6.331 1.00 0.00 N ATOM 328 CA ASP A 21 35.653 20.304 7.192 1.00 0.00 C ATOM 329 C ASP A 21 35.315 20.030 8.650 1.00 0.00 C ATOM 330 O ASP A 21 34.144 19.878 9.014 1.00 0.00 O ATOM 331 CB ASP A 21 35.746 21.817 6.950 1.00 0.00 C ATOM 332 CG ASP A 21 36.598 22.116 5.717 1.00 0.00 C ATOM 333 OD1 ASP A 21 37.002 21.174 5.056 1.00 0.00 O ATOM 334 OD2 ASP A 21 36.836 23.283 5.452 1.00 0.00 O ATOM 0 H ASP A 21 34.256 20.402 5.643 1.00 0.00 H new ATOM 0 HA ASP A 21 36.612 19.838 6.965 1.00 0.00 H new ATOM 0 HB2 ASP A 21 34.747 22.231 6.817 1.00 0.00 H new ATOM 0 HB3 ASP A 21 36.179 22.304 7.824 1.00 0.00 H new ATOM 339 N THR A 22 36.350 19.970 9.480 1.00 0.00 N ATOM 340 CA THR A 22 36.159 19.718 10.898 1.00 0.00 C ATOM 341 C THR A 22 35.798 21.010 11.628 1.00 0.00 C ATOM 342 O THR A 22 35.801 22.102 11.045 1.00 0.00 O ATOM 343 CB THR A 22 37.428 19.115 11.506 1.00 0.00 C ATOM 344 OG1 THR A 22 38.450 20.100 11.543 1.00 0.00 O ATOM 345 CG2 THR A 22 37.888 17.928 10.657 1.00 0.00 C ATOM 0 H THR A 22 37.322 20.092 9.196 1.00 0.00 H new ATOM 0 HA THR A 22 35.339 19.009 11.012 1.00 0.00 H new ATOM 0 HB THR A 22 37.218 18.774 12.520 1.00 0.00 H new ATOM 0 HG1 THR A 22 39.262 19.715 11.934 1.00 0.00 H new ATOM 0 HG21 THR A 22 38.792 17.499 11.090 1.00 0.00 H new ATOM 0 HG22 THR A 22 37.103 17.172 10.633 1.00 0.00 H new ATOM 0 HG23 THR A 22 38.098 18.266 9.642 1.00 0.00 H new ATOM 353 N ILE A 23 35.512 20.882 12.910 1.00 0.00 N ATOM 354 CA ILE A 23 35.176 22.056 13.706 1.00 0.00 C ATOM 355 C ILE A 23 36.430 22.889 13.936 1.00 0.00 C ATOM 356 O ILE A 23 36.421 24.102 13.737 1.00 0.00 O ATOM 357 CB ILE A 23 34.550 21.645 15.043 1.00 0.00 C ATOM 358 CG1 ILE A 23 33.493 20.561 14.805 1.00 0.00 C ATOM 359 CG2 ILE A 23 33.885 22.859 15.698 1.00 0.00 C ATOM 360 CD1 ILE A 23 32.547 20.980 13.672 1.00 0.00 C ATOM 0 H ILE A 23 35.504 19.998 13.418 1.00 0.00 H new ATOM 0 HA ILE A 23 34.443 22.654 13.164 1.00 0.00 H new ATOM 0 HB ILE A 23 35.331 21.259 15.698 1.00 0.00 H new ATOM 0 HG12 ILE A 23 33.979 19.619 14.552 1.00 0.00 H new ATOM 0 HG13 ILE A 23 32.924 20.391 15.719 1.00 0.00 H new ATOM 0 HG21 ILE A 23 33.441 22.562 16.648 1.00 0.00 H new ATOM 0 HG22 ILE A 23 34.632 23.633 15.873 1.00 0.00 H new ATOM 0 HG23 ILE A 23 33.107 23.247 15.040 1.00 0.00 H new ATOM 0 HD11 ILE A 23 31.801 20.201 13.514 1.00 0.00 H new ATOM 0 HD12 ILE A 23 32.048 21.911 13.940 1.00 0.00 H new ATOM 0 HD13 ILE A 23 33.119 21.126 12.756 1.00 0.00 H new ATOM 372 N GLU A 24 37.518 22.228 14.325 1.00 0.00 N ATOM 373 CA GLU A 24 38.783 22.925 14.550 1.00 0.00 C ATOM 374 C GLU A 24 39.062 23.873 13.390 1.00 0.00 C ATOM 375 O GLU A 24 39.746 24.884 13.543 1.00 0.00 O ATOM 376 CB GLU A 24 39.929 21.921 14.677 1.00 0.00 C ATOM 377 CG GLU A 24 39.550 20.830 15.679 1.00 0.00 C ATOM 378 CD GLU A 24 39.306 21.445 17.053 1.00 0.00 C ATOM 379 OE1 GLU A 24 40.278 21.727 17.735 1.00 0.00 O ATOM 380 OE2 GLU A 24 38.151 21.624 17.404 1.00 0.00 O ATOM 0 H GLU A 24 37.551 21.222 14.490 1.00 0.00 H new ATOM 0 HA GLU A 24 38.708 23.494 15.476 1.00 0.00 H new ATOM 0 HB2 GLU A 24 40.145 21.477 13.705 1.00 0.00 H new ATOM 0 HB3 GLU A 24 40.836 22.429 15.004 1.00 0.00 H new ATOM 0 HG2 GLU A 24 38.654 20.309 15.340 1.00 0.00 H new ATOM 0 HG3 GLU A 24 40.346 20.088 15.740 1.00 0.00 H new ATOM 387 N ASN A 25 38.494 23.546 12.235 1.00 0.00 N ATOM 388 CA ASN A 25 38.659 24.386 11.055 1.00 0.00 C ATOM 389 C ASN A 25 37.798 25.633 11.201 1.00 0.00 C ATOM 390 O ASN A 25 38.307 26.753 11.231 1.00 0.00 O ATOM 391 CB ASN A 25 38.255 23.629 9.789 1.00 0.00 C ATOM 392 CG ASN A 25 38.754 24.382 8.557 1.00 0.00 C ATOM 393 OD1 ASN A 25 38.647 25.683 8.509 1.00 0.00 O flip ATOM 394 ND2 ASN A 25 39.255 23.769 7.615 1.00 0.00 N flip ATOM 0 H ASN A 25 37.921 22.714 12.091 1.00 0.00 H new ATOM 0 HA ASN A 25 39.709 24.667 10.969 1.00 0.00 H new ATOM 0 HB2 ASN A 25 38.674 22.623 9.806 1.00 0.00 H new ATOM 0 HB3 ASN A 25 37.171 23.523 9.748 1.00 0.00 H new ATOM 0 HD21 ASN A 25 39.338 22.753 7.654 1.00 0.00 H new ATOM 0 HD22 ASN A 25 39.587 24.277 6.795 1.00 0.00 H new ATOM 401 N VAL A 26 36.485 25.429 11.296 1.00 0.00 N ATOM 402 CA VAL A 26 35.562 26.550 11.450 1.00 0.00 C ATOM 403 C VAL A 26 36.055 27.503 12.526 1.00 0.00 C ATOM 404 O VAL A 26 35.789 28.709 12.488 1.00 0.00 O ATOM 405 CB VAL A 26 34.184 26.037 11.823 1.00 0.00 C ATOM 406 CG1 VAL A 26 33.224 27.227 12.002 1.00 0.00 C ATOM 407 CG2 VAL A 26 33.695 25.133 10.703 1.00 0.00 C ATOM 0 H VAL A 26 36.042 24.511 11.269 1.00 0.00 H new ATOM 0 HA VAL A 26 35.508 27.085 10.502 1.00 0.00 H new ATOM 0 HB VAL A 26 34.224 25.479 12.759 1.00 0.00 H new ATOM 0 HG11 VAL A 26 32.234 26.859 12.270 1.00 0.00 H new ATOM 0 HG12 VAL A 26 33.595 27.878 12.793 1.00 0.00 H new ATOM 0 HG13 VAL A 26 33.162 27.788 11.070 1.00 0.00 H new ATOM 0 HG21 VAL A 26 32.704 24.752 10.950 1.00 0.00 H new ATOM 0 HG22 VAL A 26 33.645 25.700 9.773 1.00 0.00 H new ATOM 0 HG23 VAL A 26 34.385 24.298 10.582 1.00 0.00 H new ATOM 417 N LYS A 27 36.800 26.951 13.469 1.00 0.00 N ATOM 418 CA LYS A 27 37.356 27.749 14.549 1.00 0.00 C ATOM 419 C LYS A 27 38.487 28.612 14.016 1.00 0.00 C ATOM 420 O LYS A 27 38.522 29.821 14.237 1.00 0.00 O ATOM 421 CB LYS A 27 37.887 26.833 15.658 1.00 0.00 C ATOM 422 CG LYS A 27 36.720 26.092 16.324 1.00 0.00 C ATOM 423 CD LYS A 27 37.152 25.567 17.695 1.00 0.00 C ATOM 424 CE LYS A 27 36.010 24.756 18.311 1.00 0.00 C ATOM 425 NZ LYS A 27 36.414 24.275 19.662 1.00 0.00 N ATOM 0 H LYS A 27 37.033 25.959 13.509 1.00 0.00 H new ATOM 0 HA LYS A 27 36.574 28.388 14.958 1.00 0.00 H new ATOM 0 HB2 LYS A 27 38.595 26.116 15.242 1.00 0.00 H new ATOM 0 HB3 LYS A 27 38.427 27.421 16.400 1.00 0.00 H new ATOM 0 HG2 LYS A 27 35.867 26.762 16.434 1.00 0.00 H new ATOM 0 HG3 LYS A 27 36.396 25.264 15.693 1.00 0.00 H new ATOM 0 HD2 LYS A 27 38.042 24.945 17.595 1.00 0.00 H new ATOM 0 HD3 LYS A 27 37.416 26.398 18.348 1.00 0.00 H new ATOM 0 HE2 LYS A 27 35.113 25.370 18.385 1.00 0.00 H new ATOM 0 HE3 LYS A 27 35.764 23.909 17.670 1.00 0.00 H new ATOM 0 HZ1 LYS A 27 36.181 23.266 19.755 1.00 0.00 H new ATOM 0 HZ2 LYS A 27 37.438 24.407 19.786 1.00 0.00 H new ATOM 0 HZ3 LYS A 27 35.905 24.816 20.390 1.00 0.00 H new ATOM 439 N ALA A 28 39.411 27.974 13.312 1.00 0.00 N ATOM 440 CA ALA A 28 40.549 28.674 12.744 1.00 0.00 C ATOM 441 C ALA A 28 40.083 29.882 11.931 1.00 0.00 C ATOM 442 O ALA A 28 40.755 30.913 11.894 1.00 0.00 O ATOM 443 CB ALA A 28 41.329 27.706 11.852 1.00 0.00 C ATOM 0 H ALA A 28 39.393 26.972 13.122 1.00 0.00 H new ATOM 0 HA ALA A 28 41.192 29.034 13.547 1.00 0.00 H new ATOM 0 HB1 ALA A 28 42.187 28.221 11.419 1.00 0.00 H new ATOM 0 HB2 ALA A 28 41.675 26.861 12.447 1.00 0.00 H new ATOM 0 HB3 ALA A 28 40.681 27.345 11.053 1.00 0.00 H new ATOM 449 N LYS A 29 38.924 29.745 11.295 1.00 0.00 N ATOM 450 CA LYS A 29 38.377 30.842 10.505 1.00 0.00 C ATOM 451 C LYS A 29 37.976 31.998 11.423 1.00 0.00 C ATOM 452 O LYS A 29 38.523 33.097 11.327 1.00 0.00 O ATOM 453 CB LYS A 29 37.169 30.366 9.691 1.00 0.00 C ATOM 454 CG LYS A 29 37.656 29.679 8.407 1.00 0.00 C ATOM 455 CD LYS A 29 36.546 28.805 7.842 1.00 0.00 C ATOM 456 CE LYS A 29 37.070 28.029 6.631 1.00 0.00 C ATOM 457 NZ LYS A 29 37.558 28.988 5.601 1.00 0.00 N ATOM 0 H LYS A 29 38.353 28.900 11.310 1.00 0.00 H new ATOM 0 HA LYS A 29 39.143 31.190 9.812 1.00 0.00 H new ATOM 0 HB2 LYS A 29 36.569 29.674 10.282 1.00 0.00 H new ATOM 0 HB3 LYS A 29 36.528 31.212 9.443 1.00 0.00 H new ATOM 0 HG2 LYS A 29 37.953 30.428 7.672 1.00 0.00 H new ATOM 0 HG3 LYS A 29 38.537 29.073 8.619 1.00 0.00 H new ATOM 0 HD2 LYS A 29 36.191 28.112 8.605 1.00 0.00 H new ATOM 0 HD3 LYS A 29 35.696 29.422 7.551 1.00 0.00 H new ATOM 0 HE2 LYS A 29 37.877 27.362 6.934 1.00 0.00 H new ATOM 0 HE3 LYS A 29 36.279 27.404 6.216 1.00 0.00 H new ATOM 0 HZ1 LYS A 29 37.642 28.501 4.686 1.00 0.00 H new ATOM 0 HZ2 LYS A 29 36.885 29.776 5.514 1.00 0.00 H new ATOM 0 HZ3 LYS A 29 38.488 29.357 5.884 1.00 0.00 H new ATOM 471 N ILE A 30 37.005 31.745 12.295 1.00 0.00 N ATOM 472 CA ILE A 30 36.519 32.762 13.210 1.00 0.00 C ATOM 473 C ILE A 30 37.675 33.440 13.954 1.00 0.00 C ATOM 474 O ILE A 30 37.655 34.653 14.163 1.00 0.00 O ATOM 475 CB ILE A 30 35.558 32.102 14.204 1.00 0.00 C ATOM 476 CG1 ILE A 30 34.249 31.739 13.488 1.00 0.00 C ATOM 477 CG2 ILE A 30 35.253 33.066 15.348 1.00 0.00 C ATOM 478 CD1 ILE A 30 33.461 30.741 14.339 1.00 0.00 C ATOM 0 H ILE A 30 36.541 30.841 12.384 1.00 0.00 H new ATOM 0 HA ILE A 30 36.000 33.536 12.644 1.00 0.00 H new ATOM 0 HB ILE A 30 36.022 31.200 14.603 1.00 0.00 H new ATOM 0 HG12 ILE A 30 33.655 32.637 13.317 1.00 0.00 H new ATOM 0 HG13 ILE A 30 34.464 31.309 12.510 1.00 0.00 H new ATOM 0 HG21 ILE A 30 34.569 32.591 16.051 1.00 0.00 H new ATOM 0 HG22 ILE A 30 36.179 33.326 15.861 1.00 0.00 H new ATOM 0 HG23 ILE A 30 34.793 33.970 14.949 1.00 0.00 H new ATOM 0 HD11 ILE A 30 32.532 30.483 13.831 1.00 0.00 H new ATOM 0 HD12 ILE A 30 34.056 29.840 14.487 1.00 0.00 H new ATOM 0 HD13 ILE A 30 33.233 31.188 15.307 1.00 0.00 H new ATOM 490 N GLN A 31 38.668 32.655 14.355 1.00 0.00 N ATOM 491 CA GLN A 31 39.812 33.204 15.080 1.00 0.00 C ATOM 492 C GLN A 31 40.524 34.259 14.239 1.00 0.00 C ATOM 493 O GLN A 31 40.645 35.416 14.639 1.00 0.00 O ATOM 494 CB GLN A 31 40.799 32.087 15.429 1.00 0.00 C ATOM 495 CG GLN A 31 40.190 31.178 16.498 1.00 0.00 C ATOM 496 CD GLN A 31 41.042 29.924 16.668 1.00 0.00 C ATOM 497 OE1 GLN A 31 42.206 29.904 16.268 1.00 0.00 O ATOM 498 NE2 GLN A 31 40.528 28.870 17.241 1.00 0.00 N ATOM 0 H GLN A 31 38.707 31.649 14.194 1.00 0.00 H new ATOM 0 HA GLN A 31 39.445 33.667 15.996 1.00 0.00 H new ATOM 0 HB2 GLN A 31 41.037 31.507 14.537 1.00 0.00 H new ATOM 0 HB3 GLN A 31 41.734 32.514 15.791 1.00 0.00 H new ATOM 0 HG2 GLN A 31 40.123 31.713 17.446 1.00 0.00 H new ATOM 0 HG3 GLN A 31 39.174 30.901 16.215 1.00 0.00 H new ATOM 0 HE21 GLN A 31 39.563 28.889 17.572 1.00 0.00 H new ATOM 0 HE22 GLN A 31 41.091 28.028 17.358 1.00 0.00 H new ATOM 507 N ASP A 32 41.009 33.836 13.086 1.00 0.00 N ATOM 508 CA ASP A 32 41.732 34.736 12.196 1.00 0.00 C ATOM 509 C ASP A 32 40.939 36.016 11.908 1.00 0.00 C ATOM 510 O ASP A 32 41.524 37.091 11.782 1.00 0.00 O ATOM 511 CB ASP A 32 42.057 34.017 10.883 1.00 0.00 C ATOM 512 CG ASP A 32 43.128 32.956 11.122 1.00 0.00 C ATOM 513 OD1 ASP A 32 43.933 33.145 12.020 1.00 0.00 O ATOM 514 OD2 ASP A 32 43.128 31.969 10.404 1.00 0.00 O ATOM 0 H ASP A 32 40.918 32.880 12.742 1.00 0.00 H new ATOM 0 HA ASP A 32 42.656 35.026 12.697 1.00 0.00 H new ATOM 0 HB2 ASP A 32 41.157 33.553 10.480 1.00 0.00 H new ATOM 0 HB3 ASP A 32 42.404 34.736 10.141 1.00 0.00 H new ATOM 519 N LYS A 33 39.620 35.898 11.767 1.00 0.00 N ATOM 520 CA LYS A 33 38.790 37.064 11.451 1.00 0.00 C ATOM 521 C LYS A 33 38.514 37.966 12.662 1.00 0.00 C ATOM 522 O LYS A 33 38.592 39.189 12.547 1.00 0.00 O ATOM 523 CB LYS A 33 37.452 36.616 10.872 1.00 0.00 C ATOM 524 CG LYS A 33 37.675 35.718 9.654 1.00 0.00 C ATOM 525 CD LYS A 33 36.353 35.045 9.277 1.00 0.00 C ATOM 526 CE LYS A 33 36.472 34.405 7.892 1.00 0.00 C ATOM 527 NZ LYS A 33 37.504 33.331 7.927 1.00 0.00 N ATOM 0 H LYS A 33 39.107 35.022 11.864 1.00 0.00 H new ATOM 0 HA LYS A 33 39.359 37.646 10.726 1.00 0.00 H new ATOM 0 HB2 LYS A 33 36.882 36.078 11.630 1.00 0.00 H new ATOM 0 HB3 LYS A 33 36.861 37.487 10.587 1.00 0.00 H new ATOM 0 HG2 LYS A 33 38.049 36.307 8.816 1.00 0.00 H new ATOM 0 HG3 LYS A 33 38.430 34.964 9.876 1.00 0.00 H new ATOM 0 HD2 LYS A 33 36.097 34.287 10.017 1.00 0.00 H new ATOM 0 HD3 LYS A 33 35.547 35.779 9.280 1.00 0.00 H new ATOM 0 HE2 LYS A 33 35.511 33.991 7.588 1.00 0.00 H new ATOM 0 HE3 LYS A 33 36.742 35.159 7.153 1.00 0.00 H new ATOM 0 HZ1 LYS A 33 37.194 32.533 7.337 1.00 0.00 H new ATOM 0 HZ2 LYS A 33 38.404 33.703 7.562 1.00 0.00 H new ATOM 0 HZ3 LYS A 33 37.635 33.007 8.907 1.00 0.00 H new ATOM 541 N GLU A 34 38.139 37.377 13.805 1.00 0.00 N ATOM 542 CA GLU A 34 37.798 38.175 14.998 1.00 0.00 C ATOM 543 C GLU A 34 38.848 38.081 16.107 1.00 0.00 C ATOM 544 O GLU A 34 38.674 38.673 17.172 1.00 0.00 O ATOM 545 CB GLU A 34 36.453 37.703 15.557 1.00 0.00 C ATOM 546 CG GLU A 34 35.374 37.811 14.479 1.00 0.00 C ATOM 547 CD GLU A 34 35.070 39.276 14.189 1.00 0.00 C ATOM 548 OE1 GLU A 34 35.355 40.101 15.042 1.00 0.00 O ATOM 549 OE2 GLU A 34 34.555 39.551 13.118 1.00 0.00 O ATOM 0 H GLU A 34 38.064 36.368 13.932 1.00 0.00 H new ATOM 0 HA GLU A 34 37.754 39.216 14.677 1.00 0.00 H new ATOM 0 HB2 GLU A 34 36.534 36.672 15.901 1.00 0.00 H new ATOM 0 HB3 GLU A 34 36.177 38.306 16.422 1.00 0.00 H new ATOM 0 HG2 GLU A 34 35.707 37.313 13.568 1.00 0.00 H new ATOM 0 HG3 GLU A 34 34.468 37.301 14.807 1.00 0.00 H new ATOM 556 N GLY A 35 39.951 37.391 15.858 1.00 0.00 N ATOM 557 CA GLY A 35 41.012 37.298 16.858 1.00 0.00 C ATOM 558 C GLY A 35 40.507 36.777 18.207 1.00 0.00 C ATOM 559 O GLY A 35 41.105 37.070 19.241 1.00 0.00 O ATOM 0 H GLY A 35 40.137 36.893 14.987 1.00 0.00 H new ATOM 0 HA2 GLY A 35 41.797 36.638 16.489 1.00 0.00 H new ATOM 0 HA3 GLY A 35 41.461 38.281 16.998 1.00 0.00 H new ATOM 563 N ILE A 36 39.412 36.015 18.203 1.00 0.00 N ATOM 564 CA ILE A 36 38.854 35.473 19.438 1.00 0.00 C ATOM 565 C ILE A 36 39.455 34.091 19.748 1.00 0.00 C ATOM 566 O ILE A 36 39.175 33.133 19.029 1.00 0.00 O ATOM 567 CB ILE A 36 37.347 35.338 19.278 1.00 0.00 C ATOM 568 CG1 ILE A 36 36.781 36.713 18.938 1.00 0.00 C ATOM 569 CG2 ILE A 36 36.737 34.838 20.588 1.00 0.00 C ATOM 570 CD1 ILE A 36 35.279 36.610 18.719 1.00 0.00 C ATOM 0 H ILE A 36 38.897 35.761 17.360 1.00 0.00 H new ATOM 0 HA ILE A 36 39.093 36.148 20.260 1.00 0.00 H new ATOM 0 HB ILE A 36 37.111 34.627 18.486 1.00 0.00 H new ATOM 0 HG12 ILE A 36 36.993 37.414 19.745 1.00 0.00 H new ATOM 0 HG13 ILE A 36 37.263 37.104 18.042 1.00 0.00 H new ATOM 0 HG21 ILE A 36 35.657 34.741 20.473 1.00 0.00 H new ATOM 0 HG22 ILE A 36 37.163 33.867 20.841 1.00 0.00 H new ATOM 0 HG23 ILE A 36 36.955 35.549 21.385 1.00 0.00 H new ATOM 0 HD11 ILE A 36 34.878 37.594 18.476 1.00 0.00 H new ATOM 0 HD12 ILE A 36 35.077 35.923 17.897 1.00 0.00 H new ATOM 0 HD13 ILE A 36 34.804 36.238 19.627 1.00 0.00 H new ATOM 582 N PRO A 37 40.254 33.944 20.790 1.00 0.00 N ATOM 583 CA PRO A 37 40.854 32.616 21.147 1.00 0.00 C ATOM 584 C PRO A 37 39.801 31.498 21.170 1.00 0.00 C ATOM 585 O PRO A 37 38.609 31.771 21.312 1.00 0.00 O ATOM 586 CB PRO A 37 41.436 32.857 22.549 1.00 0.00 C ATOM 587 CG PRO A 37 41.755 34.313 22.582 1.00 0.00 C ATOM 588 CD PRO A 37 40.683 34.997 21.734 1.00 0.00 C ATOM 0 HA PRO A 37 41.598 32.286 20.422 1.00 0.00 H new ATOM 0 HB2 PRO A 37 40.719 32.591 23.326 1.00 0.00 H new ATOM 0 HB3 PRO A 37 42.327 32.253 22.717 1.00 0.00 H new ATOM 0 HG2 PRO A 37 41.745 34.692 23.604 1.00 0.00 H new ATOM 0 HG3 PRO A 37 42.751 34.504 22.181 1.00 0.00 H new ATOM 0 HD2 PRO A 37 39.852 35.348 22.346 1.00 0.00 H new ATOM 0 HD3 PRO A 37 41.082 35.866 21.210 1.00 0.00 H new ATOM 596 N PRO A 38 40.210 30.257 21.034 1.00 0.00 N ATOM 597 CA PRO A 38 39.270 29.092 21.043 1.00 0.00 C ATOM 598 C PRO A 38 38.649 28.845 22.419 1.00 0.00 C ATOM 599 O PRO A 38 37.429 28.748 22.544 1.00 0.00 O ATOM 600 CB PRO A 38 40.153 27.914 20.609 1.00 0.00 C ATOM 601 CG PRO A 38 41.521 28.304 21.047 1.00 0.00 C ATOM 602 CD PRO A 38 41.605 29.816 20.853 1.00 0.00 C ATOM 0 HA PRO A 38 38.414 29.254 20.388 1.00 0.00 H new ATOM 0 HB2 PRO A 38 39.835 26.983 21.078 1.00 0.00 H new ATOM 0 HB3 PRO A 38 40.109 27.759 19.531 1.00 0.00 H new ATOM 0 HG2 PRO A 38 41.690 28.034 22.089 1.00 0.00 H new ATOM 0 HG3 PRO A 38 42.281 27.791 20.458 1.00 0.00 H new ATOM 0 HD2 PRO A 38 42.271 30.279 21.581 1.00 0.00 H new ATOM 0 HD3 PRO A 38 41.984 30.075 19.864 1.00 0.00 H new ATOM 610 N ASP A 39 39.493 28.734 23.444 1.00 0.00 N ATOM 611 CA ASP A 39 39.005 28.486 24.798 1.00 0.00 C ATOM 612 C ASP A 39 38.065 29.598 25.250 1.00 0.00 C ATOM 613 O ASP A 39 37.307 29.430 26.204 1.00 0.00 O ATOM 614 CB ASP A 39 40.181 28.388 25.773 1.00 0.00 C ATOM 615 CG ASP A 39 39.678 27.992 27.157 1.00 0.00 C ATOM 616 OD1 ASP A 39 38.634 27.365 27.230 1.00 0.00 O ATOM 617 OD2 ASP A 39 40.344 28.323 28.125 1.00 0.00 O ATOM 0 H ASP A 39 40.507 28.811 23.364 1.00 0.00 H new ATOM 0 HA ASP A 39 38.457 27.544 24.791 1.00 0.00 H new ATOM 0 HB2 ASP A 39 40.901 27.653 25.414 1.00 0.00 H new ATOM 0 HB3 ASP A 39 40.701 29.344 25.826 1.00 0.00 H new ATOM 622 N GLN A 40 38.134 30.738 24.574 1.00 0.00 N ATOM 623 CA GLN A 40 37.295 31.879 24.934 1.00 0.00 C ATOM 624 C GLN A 40 35.898 31.760 24.336 1.00 0.00 C ATOM 625 O GLN A 40 34.940 32.306 24.884 1.00 0.00 O ATOM 626 CB GLN A 40 37.942 33.178 24.445 1.00 0.00 C ATOM 627 CG GLN A 40 39.174 33.487 25.298 1.00 0.00 C ATOM 628 CD GLN A 40 38.746 34.039 26.653 1.00 0.00 C ATOM 629 OE1 GLN A 40 37.603 34.465 26.818 1.00 0.00 O ATOM 630 NE2 GLN A 40 39.601 34.059 27.638 1.00 0.00 N ATOM 0 H GLN A 40 38.755 30.899 23.781 1.00 0.00 H new ATOM 0 HA GLN A 40 37.204 31.891 26.020 1.00 0.00 H new ATOM 0 HB2 GLN A 40 38.227 33.083 23.397 1.00 0.00 H new ATOM 0 HB3 GLN A 40 37.228 33.999 24.508 1.00 0.00 H new ATOM 0 HG2 GLN A 40 39.767 32.583 25.435 1.00 0.00 H new ATOM 0 HG3 GLN A 40 39.809 34.210 24.786 1.00 0.00 H new ATOM 0 HE21 GLN A 40 40.548 33.705 27.499 1.00 0.00 H new ATOM 0 HE22 GLN A 40 39.323 34.428 28.547 1.00 0.00 H new ATOM 639 N GLN A 41 35.778 31.064 23.204 1.00 0.00 N ATOM 640 CA GLN A 41 34.487 30.906 22.537 1.00 0.00 C ATOM 641 C GLN A 41 34.004 29.458 22.570 1.00 0.00 C ATOM 642 O GLN A 41 34.798 28.517 22.580 1.00 0.00 O ATOM 643 CB GLN A 41 34.609 31.362 21.082 1.00 0.00 C ATOM 644 CG GLN A 41 35.677 30.533 20.366 1.00 0.00 C ATOM 645 CD GLN A 41 36.062 31.203 19.052 1.00 0.00 C ATOM 646 OE1 GLN A 41 36.301 32.410 19.017 1.00 0.00 O ATOM 647 NE2 GLN A 41 36.139 30.488 17.963 1.00 0.00 N ATOM 0 H GLN A 41 36.556 30.603 22.733 1.00 0.00 H new ATOM 0 HA GLN A 41 33.759 31.517 23.070 1.00 0.00 H new ATOM 0 HB2 GLN A 41 33.650 31.252 20.575 1.00 0.00 H new ATOM 0 HB3 GLN A 41 34.870 32.420 21.044 1.00 0.00 H new ATOM 0 HG2 GLN A 41 36.556 30.429 21.002 1.00 0.00 H new ATOM 0 HG3 GLN A 41 35.301 29.528 20.175 1.00 0.00 H new ATOM 0 HE21 GLN A 41 35.941 29.488 17.994 1.00 0.00 H new ATOM 0 HE22 GLN A 41 36.398 30.929 17.080 1.00 0.00 H new ATOM 656 N ARG A 42 32.682 29.308 22.567 1.00 0.00 N ATOM 657 CA ARG A 42 32.034 28.000 22.573 1.00 0.00 C ATOM 658 C ARG A 42 30.972 27.997 21.482 1.00 0.00 C ATOM 659 O ARG A 42 30.178 28.932 21.389 1.00 0.00 O ATOM 660 CB ARG A 42 31.382 27.741 23.934 1.00 0.00 C ATOM 661 CG ARG A 42 32.458 27.378 24.967 1.00 0.00 C ATOM 662 CD ARG A 42 33.107 26.018 24.635 1.00 0.00 C ATOM 663 NE ARG A 42 34.320 26.219 23.853 1.00 0.00 N ATOM 664 CZ ARG A 42 35.111 25.200 23.542 1.00 0.00 C ATOM 665 NH1 ARG A 42 36.184 25.401 22.829 1.00 0.00 N ATOM 666 NH2 ARG A 42 34.815 23.997 23.953 1.00 0.00 N ATOM 0 H ARG A 42 32.029 30.092 22.560 1.00 0.00 H new ATOM 0 HA ARG A 42 32.769 27.216 22.391 1.00 0.00 H new ATOM 0 HB2 ARG A 42 30.836 28.626 24.260 1.00 0.00 H new ATOM 0 HB3 ARG A 42 30.657 26.932 23.852 1.00 0.00 H new ATOM 0 HG2 ARG A 42 33.223 28.154 24.989 1.00 0.00 H new ATOM 0 HG3 ARG A 42 32.014 27.340 25.962 1.00 0.00 H new ATOM 0 HD2 ARG A 42 33.343 25.485 25.556 1.00 0.00 H new ATOM 0 HD3 ARG A 42 32.405 25.398 24.078 1.00 0.00 H new ATOM 0 HE ARG A 42 34.565 27.158 23.540 1.00 0.00 H new ATOM 0 HH11 ARG A 42 36.416 26.342 22.510 1.00 0.00 H new ATOM 0 HH12 ARG A 42 36.792 24.617 22.590 1.00 0.00 H new ATOM 0 HH21 ARG A 42 33.977 23.841 24.513 1.00 0.00 H new ATOM 0 HH22 ARG A 42 35.422 23.213 23.715 1.00 0.00 H new ATOM 680 N LEU A 43 30.956 26.965 20.642 1.00 0.00 N ATOM 681 CA LEU A 43 29.977 26.899 19.556 1.00 0.00 C ATOM 682 C LEU A 43 28.738 26.120 19.975 1.00 0.00 C ATOM 683 O LEU A 43 28.813 24.934 20.312 1.00 0.00 O ATOM 684 CB LEU A 43 30.599 26.230 18.334 1.00 0.00 C ATOM 685 CG LEU A 43 31.902 26.928 17.938 1.00 0.00 C ATOM 686 CD1 LEU A 43 32.369 26.345 16.610 1.00 0.00 C ATOM 687 CD2 LEU A 43 31.675 28.438 17.778 1.00 0.00 C ATOM 0 H LEU A 43 31.598 26.174 20.689 1.00 0.00 H new ATOM 0 HA LEU A 43 29.681 27.919 19.312 1.00 0.00 H new ATOM 0 HB2 LEU A 43 30.794 25.179 18.549 1.00 0.00 H new ATOM 0 HB3 LEU A 43 29.897 26.260 17.501 1.00 0.00 H new ATOM 0 HG LEU A 43 32.652 26.771 18.714 1.00 0.00 H new ATOM 0 HD11 LEU A 43 33.298 26.828 16.307 1.00 0.00 H new ATOM 0 HD12 LEU A 43 32.537 25.274 16.722 1.00 0.00 H new ATOM 0 HD13 LEU A 43 31.607 26.515 15.850 1.00 0.00 H new ATOM 0 HD21 LEU A 43 32.612 28.919 17.496 1.00 0.00 H new ATOM 0 HD22 LEU A 43 30.929 28.614 17.003 1.00 0.00 H new ATOM 0 HD23 LEU A 43 31.323 28.855 18.721 1.00 0.00 H new ATOM 699 N ILE A 44 27.595 26.802 19.941 1.00 0.00 N ATOM 700 CA ILE A 44 26.314 26.190 20.319 1.00 0.00 C ATOM 701 C ILE A 44 25.340 26.143 19.137 1.00 0.00 C ATOM 702 O ILE A 44 25.094 27.155 18.473 1.00 0.00 O ATOM 703 CB ILE A 44 25.669 26.999 21.450 1.00 0.00 C ATOM 704 CG1 ILE A 44 26.662 27.182 22.607 1.00 0.00 C ATOM 705 CG2 ILE A 44 24.418 26.278 21.957 1.00 0.00 C ATOM 706 CD1 ILE A 44 27.207 25.829 23.078 1.00 0.00 C ATOM 0 H ILE A 44 27.525 27.779 19.656 1.00 0.00 H new ATOM 0 HA ILE A 44 26.520 25.170 20.644 1.00 0.00 H new ATOM 0 HB ILE A 44 25.390 27.979 21.063 1.00 0.00 H new ATOM 0 HG12 ILE A 44 27.486 27.819 22.287 1.00 0.00 H new ATOM 0 HG13 ILE A 44 26.170 27.690 23.437 1.00 0.00 H new ATOM 0 HG21 ILE A 44 23.964 26.858 22.761 1.00 0.00 H new ATOM 0 HG22 ILE A 44 23.704 26.170 21.140 1.00 0.00 H new ATOM 0 HG23 ILE A 44 24.693 25.292 22.332 1.00 0.00 H new ATOM 0 HD11 ILE A 44 27.908 25.985 23.898 1.00 0.00 H new ATOM 0 HD12 ILE A 44 26.382 25.204 23.420 1.00 0.00 H new ATOM 0 HD13 ILE A 44 27.719 25.335 22.252 1.00 0.00 H new ATOM 718 N PHE A 45 24.788 24.953 18.896 1.00 0.00 N ATOM 719 CA PHE A 45 23.825 24.743 17.815 1.00 0.00 C ATOM 720 C PHE A 45 22.762 23.740 18.253 1.00 0.00 C ATOM 721 O PHE A 45 23.081 22.626 18.663 1.00 0.00 O ATOM 722 CB PHE A 45 24.540 24.208 16.578 1.00 0.00 C ATOM 723 CG PHE A 45 23.587 24.163 15.411 1.00 0.00 C ATOM 724 CD1 PHE A 45 23.516 25.236 14.517 1.00 0.00 C ATOM 725 CD2 PHE A 45 22.787 23.036 15.218 1.00 0.00 C ATOM 726 CE1 PHE A 45 22.638 25.182 13.427 1.00 0.00 C ATOM 727 CE2 PHE A 45 21.906 22.979 14.130 1.00 0.00 C ATOM 728 CZ PHE A 45 21.833 24.052 13.233 1.00 0.00 C ATOM 0 H PHE A 45 24.994 24.115 19.439 1.00 0.00 H new ATOM 0 HA PHE A 45 23.351 25.695 17.578 1.00 0.00 H new ATOM 0 HB2 PHE A 45 25.393 24.843 16.338 1.00 0.00 H new ATOM 0 HB3 PHE A 45 24.932 23.210 16.777 1.00 0.00 H new ATOM 0 HD1 PHE A 45 24.138 26.106 14.667 1.00 0.00 H new ATOM 0 HD2 PHE A 45 22.847 22.207 15.908 1.00 0.00 H new ATOM 0 HE1 PHE A 45 22.582 26.011 12.737 1.00 0.00 H new ATOM 0 HE2 PHE A 45 21.284 22.108 13.983 1.00 0.00 H new ATOM 0 HZ PHE A 45 21.157 24.008 12.392 1.00 0.00 H new ATOM 738 N ALA A 46 21.501 24.145 18.173 1.00 0.00 N ATOM 739 CA ALA A 46 20.403 23.270 18.569 1.00 0.00 C ATOM 740 C ALA A 46 20.608 22.749 19.992 1.00 0.00 C ATOM 741 O ALA A 46 20.257 21.610 20.302 1.00 0.00 O ATOM 742 CB ALA A 46 20.303 22.092 17.601 1.00 0.00 C ATOM 0 H ALA A 46 21.214 25.066 17.841 1.00 0.00 H new ATOM 0 HA ALA A 46 19.478 23.846 18.540 1.00 0.00 H new ATOM 0 HB1 ALA A 46 19.481 21.442 17.902 1.00 0.00 H new ATOM 0 HB2 ALA A 46 20.121 22.464 16.593 1.00 0.00 H new ATOM 0 HB3 ALA A 46 21.236 21.528 17.617 1.00 0.00 H new ATOM 748 N GLY A 47 21.168 23.593 20.853 1.00 0.00 N ATOM 749 CA GLY A 47 21.402 23.215 22.245 1.00 0.00 C ATOM 750 C GLY A 47 22.474 22.132 22.376 1.00 0.00 C ATOM 751 O GLY A 47 22.584 21.488 23.419 1.00 0.00 O ATOM 0 H GLY A 47 21.467 24.539 20.615 1.00 0.00 H new ATOM 0 HA2 GLY A 47 21.705 24.095 22.813 1.00 0.00 H new ATOM 0 HA3 GLY A 47 20.471 22.857 22.684 1.00 0.00 H new ATOM 755 N LYS A 48 23.272 21.938 21.323 1.00 0.00 N ATOM 756 CA LYS A 48 24.345 20.933 21.343 1.00 0.00 C ATOM 757 C LYS A 48 25.689 21.583 21.034 1.00 0.00 C ATOM 758 O LYS A 48 25.839 22.237 20.002 1.00 0.00 O ATOM 759 CB LYS A 48 24.073 19.851 20.303 1.00 0.00 C ATOM 760 CG LYS A 48 22.713 19.205 20.565 1.00 0.00 C ATOM 761 CD LYS A 48 22.398 18.214 19.443 1.00 0.00 C ATOM 762 CE LYS A 48 20.964 17.703 19.599 1.00 0.00 C ATOM 763 NZ LYS A 48 20.642 16.779 18.475 1.00 0.00 N ATOM 0 H LYS A 48 23.199 22.459 20.449 1.00 0.00 H new ATOM 0 HA LYS A 48 24.374 20.489 22.338 1.00 0.00 H new ATOM 0 HB2 LYS A 48 24.093 20.283 19.303 1.00 0.00 H new ATOM 0 HB3 LYS A 48 24.857 19.095 20.339 1.00 0.00 H new ATOM 0 HG2 LYS A 48 22.721 18.692 21.527 1.00 0.00 H new ATOM 0 HG3 LYS A 48 21.938 19.970 20.618 1.00 0.00 H new ATOM 0 HD2 LYS A 48 22.520 18.696 18.473 1.00 0.00 H new ATOM 0 HD3 LYS A 48 23.098 17.379 19.474 1.00 0.00 H new ATOM 0 HE2 LYS A 48 20.852 17.186 20.552 1.00 0.00 H new ATOM 0 HE3 LYS A 48 20.267 18.541 19.607 1.00 0.00 H new ATOM 0 HZ1 LYS A 48 19.668 16.431 18.580 1.00 0.00 H new ATOM 0 HZ2 LYS A 48 20.733 17.286 17.572 1.00 0.00 H new ATOM 0 HZ3 LYS A 48 21.300 15.974 18.488 1.00 0.00 H new ATOM 777 N GLN A 49 26.674 21.391 21.910 1.00 0.00 N ATOM 778 CA GLN A 49 27.993 21.955 21.683 1.00 0.00 C ATOM 779 C GLN A 49 28.747 21.125 20.652 1.00 0.00 C ATOM 780 O GLN A 49 28.760 19.896 20.721 1.00 0.00 O ATOM 781 CB GLN A 49 28.786 21.994 22.989 1.00 0.00 C ATOM 782 CG GLN A 49 30.047 22.834 22.788 1.00 0.00 C ATOM 783 CD GLN A 49 30.950 22.723 24.010 1.00 0.00 C ATOM 784 OE1 GLN A 49 32.235 22.567 23.849 1.00 0.00 O flip ATOM 785 NE2 GLN A 49 30.471 22.778 25.143 1.00 0.00 N flip ATOM 0 H GLN A 49 26.581 20.855 22.773 1.00 0.00 H new ATOM 0 HA GLN A 49 27.875 22.972 21.309 1.00 0.00 H new ATOM 0 HB2 GLN A 49 28.176 22.418 23.786 1.00 0.00 H new ATOM 0 HB3 GLN A 49 29.054 20.983 23.296 1.00 0.00 H new ATOM 0 HG2 GLN A 49 30.581 22.496 21.900 1.00 0.00 H new ATOM 0 HG3 GLN A 49 29.776 23.876 22.620 1.00 0.00 H new ATOM 0 HE21 GLN A 49 29.466 22.900 25.266 1.00 0.00 H new ATOM 0 HE22 GLN A 49 31.079 22.702 25.958 1.00 0.00 H new ATOM 794 N LEU A 50 29.353 21.798 19.687 1.00 0.00 N ATOM 795 CA LEU A 50 30.082 21.096 18.639 1.00 0.00 C ATOM 796 C LEU A 50 31.371 20.479 19.184 1.00 0.00 C ATOM 797 O LEU A 50 32.127 21.123 19.912 1.00 0.00 O ATOM 798 CB LEU A 50 30.391 22.063 17.494 1.00 0.00 C ATOM 799 CG LEU A 50 29.147 22.244 16.616 1.00 0.00 C ATOM 800 CD1 LEU A 50 27.938 22.594 17.486 1.00 0.00 C ATOM 801 CD2 LEU A 50 29.386 23.375 15.618 1.00 0.00 C ATOM 0 H LEU A 50 29.356 22.815 19.606 1.00 0.00 H new ATOM 0 HA LEU A 50 29.459 20.283 18.264 1.00 0.00 H new ATOM 0 HB2 LEU A 50 30.708 23.026 17.895 1.00 0.00 H new ATOM 0 HB3 LEU A 50 31.217 21.680 16.895 1.00 0.00 H new ATOM 0 HG LEU A 50 28.953 21.313 16.083 1.00 0.00 H new ATOM 0 HD11 LEU A 50 27.059 22.721 16.854 1.00 0.00 H new ATOM 0 HD12 LEU A 50 27.759 21.790 18.200 1.00 0.00 H new ATOM 0 HD13 LEU A 50 28.134 23.521 18.025 1.00 0.00 H new ATOM 0 HD21 LEU A 50 28.501 23.503 14.994 1.00 0.00 H new ATOM 0 HD22 LEU A 50 29.586 24.300 16.158 1.00 0.00 H new ATOM 0 HD23 LEU A 50 30.241 23.130 14.988 1.00 0.00 H new ATOM 813 N GLU A 51 31.602 19.218 18.818 1.00 0.00 N ATOM 814 CA GLU A 51 32.781 18.489 19.254 1.00 0.00 C ATOM 815 C GLU A 51 34.036 18.977 18.528 1.00 0.00 C ATOM 816 O GLU A 51 34.033 19.154 17.310 1.00 0.00 O ATOM 817 CB GLU A 51 32.573 16.992 19.005 1.00 0.00 C ATOM 818 CG GLU A 51 33.455 16.191 19.954 1.00 0.00 C ATOM 819 CD GLU A 51 33.269 14.700 19.700 1.00 0.00 C ATOM 820 OE1 GLU A 51 32.276 14.162 20.161 1.00 0.00 O ATOM 821 OE2 GLU A 51 34.119 14.120 19.046 1.00 0.00 O ATOM 0 H GLU A 51 30.979 18.681 18.215 1.00 0.00 H new ATOM 0 HA GLU A 51 32.925 18.667 20.320 1.00 0.00 H new ATOM 0 HB2 GLU A 51 31.526 16.730 19.156 1.00 0.00 H new ATOM 0 HB3 GLU A 51 32.817 16.747 17.971 1.00 0.00 H new ATOM 0 HG2 GLU A 51 34.500 16.465 19.812 1.00 0.00 H new ATOM 0 HG3 GLU A 51 33.201 16.427 20.987 1.00 0.00 H new ATOM 828 N ASP A 52 35.102 19.200 19.289 1.00 0.00 N ATOM 829 CA ASP A 52 36.354 19.681 18.734 1.00 0.00 C ATOM 830 C ASP A 52 36.987 18.695 17.745 1.00 0.00 C ATOM 831 O ASP A 52 38.204 18.723 17.554 1.00 0.00 O ATOM 832 CB ASP A 52 37.344 19.940 19.872 1.00 0.00 C ATOM 833 CG ASP A 52 36.778 20.980 20.833 1.00 0.00 C ATOM 834 OD1 ASP A 52 35.884 21.705 20.432 1.00 0.00 O ATOM 835 OD2 ASP A 52 37.250 21.037 21.958 1.00 0.00 O ATOM 0 H ASP A 52 35.120 19.053 20.298 1.00 0.00 H new ATOM 0 HA ASP A 52 36.130 20.597 18.187 1.00 0.00 H new ATOM 0 HB2 ASP A 52 37.546 19.012 20.406 1.00 0.00 H new ATOM 0 HB3 ASP A 52 38.294 20.288 19.466 1.00 0.00 H new ATOM 840 N GLY A 53 36.195 17.824 17.111 1.00 0.00 N ATOM 841 CA GLY A 53 36.783 16.870 16.164 1.00 0.00 C ATOM 842 C GLY A 53 35.766 16.263 15.194 1.00 0.00 C ATOM 843 O GLY A 53 36.058 15.248 14.560 1.00 0.00 O ATOM 0 H GLY A 53 35.184 17.758 17.228 1.00 0.00 H new ATOM 0 HA2 GLY A 53 37.563 17.373 15.592 1.00 0.00 H new ATOM 0 HA3 GLY A 53 37.264 16.067 16.722 1.00 0.00 H new ATOM 847 N ARG A 54 34.582 16.871 15.056 1.00 0.00 N ATOM 848 CA ARG A 54 33.565 16.340 14.127 1.00 0.00 C ATOM 849 C ARG A 54 33.503 17.169 12.844 1.00 0.00 C ATOM 850 O ARG A 54 34.090 18.245 12.747 1.00 0.00 O ATOM 851 CB ARG A 54 32.177 16.321 14.816 1.00 0.00 C ATOM 852 CG ARG A 54 31.782 14.886 15.206 1.00 0.00 C ATOM 853 CD ARG A 54 32.742 14.332 16.275 1.00 0.00 C ATOM 854 NE ARG A 54 32.865 12.886 16.132 1.00 0.00 N ATOM 855 CZ ARG A 54 31.930 12.065 16.595 1.00 0.00 C ATOM 856 NH1 ARG A 54 32.066 10.775 16.448 1.00 0.00 N ATOM 857 NH2 ARG A 54 30.880 12.547 17.201 1.00 0.00 N ATOM 0 H ARG A 54 34.304 17.712 15.561 1.00 0.00 H new ATOM 0 HA ARG A 54 33.848 15.322 13.859 1.00 0.00 H new ATOM 0 HB2 ARG A 54 32.198 16.952 15.705 1.00 0.00 H new ATOM 0 HB3 ARG A 54 31.427 16.740 14.145 1.00 0.00 H new ATOM 0 HG2 ARG A 54 30.760 14.875 15.586 1.00 0.00 H new ATOM 0 HG3 ARG A 54 31.802 14.245 14.324 1.00 0.00 H new ATOM 0 HD2 ARG A 54 33.721 14.800 16.174 1.00 0.00 H new ATOM 0 HD3 ARG A 54 32.372 14.577 17.270 1.00 0.00 H new ATOM 0 HE ARG A 54 33.686 12.498 15.667 1.00 0.00 H new ATOM 0 HH11 ARG A 54 32.890 10.399 15.978 1.00 0.00 H new ATOM 0 HH12 ARG A 54 31.349 10.143 16.803 1.00 0.00 H new ATOM 0 HH21 ARG A 54 30.777 13.555 17.319 1.00 0.00 H new ATOM 0 HH22 ARG A 54 30.162 11.916 17.557 1.00 0.00 H new ATOM 871 N THR A 55 32.768 16.641 11.867 1.00 0.00 N ATOM 872 CA THR A 55 32.588 17.309 10.573 1.00 0.00 C ATOM 873 C THR A 55 31.220 17.968 10.511 1.00 0.00 C ATOM 874 O THR A 55 30.253 17.471 11.099 1.00 0.00 O ATOM 875 CB THR A 55 32.718 16.293 9.433 1.00 0.00 C ATOM 876 OG1 THR A 55 31.866 15.185 9.690 1.00 0.00 O ATOM 877 CG2 THR A 55 34.169 15.812 9.331 1.00 0.00 C ATOM 0 H THR A 55 32.283 15.747 11.945 1.00 0.00 H new ATOM 0 HA THR A 55 33.359 18.071 10.465 1.00 0.00 H new ATOM 0 HB THR A 55 32.430 16.765 8.493 1.00 0.00 H new ATOM 0 HG1 THR A 55 31.192 15.120 8.982 1.00 0.00 H new ATOM 0 HG21 THR A 55 34.257 15.090 8.519 1.00 0.00 H new ATOM 0 HG22 THR A 55 34.821 16.662 9.132 1.00 0.00 H new ATOM 0 HG23 THR A 55 34.463 15.341 10.269 1.00 0.00 H new ATOM 885 N LEU A 56 31.123 19.079 9.784 1.00 0.00 N ATOM 886 CA LEU A 56 29.854 19.758 9.660 1.00 0.00 C ATOM 887 C LEU A 56 28.822 18.797 9.093 1.00 0.00 C ATOM 888 O LEU A 56 27.666 18.821 9.498 1.00 0.00 O ATOM 889 CB LEU A 56 29.998 20.990 8.762 1.00 0.00 C ATOM 890 CG LEU A 56 30.678 22.133 9.537 1.00 0.00 C ATOM 891 CD1 LEU A 56 32.181 21.851 9.684 1.00 0.00 C ATOM 892 CD2 LEU A 56 30.482 23.435 8.763 1.00 0.00 C ATOM 0 H LEU A 56 31.898 19.515 9.284 1.00 0.00 H new ATOM 0 HA LEU A 56 29.524 20.093 10.643 1.00 0.00 H new ATOM 0 HB2 LEU A 56 30.585 20.739 7.879 1.00 0.00 H new ATOM 0 HB3 LEU A 56 29.017 21.311 8.412 1.00 0.00 H new ATOM 0 HG LEU A 56 30.235 22.213 10.530 1.00 0.00 H new ATOM 0 HD11 LEU A 56 32.652 22.666 10.234 1.00 0.00 H new ATOM 0 HD12 LEU A 56 32.325 20.917 10.227 1.00 0.00 H new ATOM 0 HD13 LEU A 56 32.634 21.770 8.696 1.00 0.00 H new ATOM 0 HD21 LEU A 56 30.959 24.254 9.301 1.00 0.00 H new ATOM 0 HD22 LEU A 56 30.930 23.341 7.774 1.00 0.00 H new ATOM 0 HD23 LEU A 56 29.416 23.641 8.661 1.00 0.00 H new ATOM 904 N SER A 57 29.232 17.960 8.137 1.00 0.00 N ATOM 905 CA SER A 57 28.314 17.007 7.515 1.00 0.00 C ATOM 906 C SER A 57 27.536 16.219 8.564 1.00 0.00 C ATOM 907 O SER A 57 26.339 15.956 8.391 1.00 0.00 O ATOM 908 CB SER A 57 29.095 16.037 6.627 1.00 0.00 C ATOM 909 OG SER A 57 30.114 15.411 7.396 1.00 0.00 O ATOM 0 H SER A 57 30.187 17.924 7.780 1.00 0.00 H new ATOM 0 HA SER A 57 27.603 17.572 6.912 1.00 0.00 H new ATOM 0 HB2 SER A 57 28.424 15.285 6.212 1.00 0.00 H new ATOM 0 HB3 SER A 57 29.535 16.571 5.785 1.00 0.00 H new ATOM 0 HG SER A 57 30.615 14.788 6.830 1.00 0.00 H new ATOM 915 N ASP A 58 28.205 15.867 9.658 1.00 0.00 N ATOM 916 CA ASP A 58 27.542 15.137 10.725 1.00 0.00 C ATOM 917 C ASP A 58 26.430 16.008 11.287 1.00 0.00 C ATOM 918 O ASP A 58 25.346 15.531 11.636 1.00 0.00 O ATOM 919 CB ASP A 58 28.542 14.790 11.836 1.00 0.00 C ATOM 920 CG ASP A 58 29.556 13.762 11.337 1.00 0.00 C ATOM 921 OD1 ASP A 58 29.193 12.961 10.492 1.00 0.00 O ATOM 922 OD2 ASP A 58 30.681 13.792 11.810 1.00 0.00 O ATOM 0 H ASP A 58 29.190 16.073 9.825 1.00 0.00 H new ATOM 0 HA ASP A 58 27.130 14.208 10.332 1.00 0.00 H new ATOM 0 HB2 ASP A 58 29.060 15.692 12.163 1.00 0.00 H new ATOM 0 HB3 ASP A 58 28.011 14.396 12.702 1.00 0.00 H new ATOM 927 N TYR A 59 26.719 17.301 11.356 1.00 0.00 N ATOM 928 CA TYR A 59 25.765 18.272 11.870 1.00 0.00 C ATOM 929 C TYR A 59 24.765 18.704 10.790 1.00 0.00 C ATOM 930 O TYR A 59 23.738 19.307 11.100 1.00 0.00 O ATOM 931 CB TYR A 59 26.528 19.496 12.380 1.00 0.00 C ATOM 932 CG TYR A 59 27.239 19.157 13.679 1.00 0.00 C ATOM 933 CD1 TYR A 59 28.640 19.172 13.740 1.00 0.00 C ATOM 934 CD2 TYR A 59 26.497 18.826 14.823 1.00 0.00 C ATOM 935 CE1 TYR A 59 29.294 18.857 14.938 1.00 0.00 C ATOM 936 CE2 TYR A 59 27.154 18.511 16.019 1.00 0.00 C ATOM 937 CZ TYR A 59 28.552 18.526 16.076 1.00 0.00 C ATOM 938 OH TYR A 59 29.199 18.211 17.254 1.00 0.00 O ATOM 0 H TYR A 59 27.610 17.701 11.061 1.00 0.00 H new ATOM 0 HA TYR A 59 25.203 17.808 12.680 1.00 0.00 H new ATOM 0 HB2 TYR A 59 27.252 19.821 11.633 1.00 0.00 H new ATOM 0 HB3 TYR A 59 25.839 20.325 12.538 1.00 0.00 H new ATOM 0 HD1 TYR A 59 29.215 19.427 12.862 1.00 0.00 H new ATOM 0 HD2 TYR A 59 25.418 18.814 14.781 1.00 0.00 H new ATOM 0 HE1 TYR A 59 30.373 18.870 14.983 1.00 0.00 H new ATOM 0 HE2 TYR A 59 26.581 18.256 16.898 1.00 0.00 H new ATOM 0 HH TYR A 59 28.536 18.007 17.947 1.00 0.00 H new ATOM 948 N ASN A 60 25.061 18.395 9.527 1.00 0.00 N ATOM 949 CA ASN A 60 24.161 18.768 8.436 1.00 0.00 C ATOM 950 C ASN A 60 22.894 17.926 8.489 1.00 0.00 C ATOM 951 O ASN A 60 21.781 18.449 8.422 1.00 0.00 O ATOM 952 CB ASN A 60 24.844 18.578 7.077 1.00 0.00 C ATOM 953 CG ASN A 60 23.998 19.215 5.976 1.00 0.00 C ATOM 954 OD1 ASN A 60 23.403 18.509 5.162 1.00 0.00 O ATOM 955 ND2 ASN A 60 23.907 20.516 5.904 1.00 0.00 N ATOM 0 H ASN A 60 25.902 17.896 9.237 1.00 0.00 H new ATOM 0 HA ASN A 60 23.903 19.820 8.556 1.00 0.00 H new ATOM 0 HB2 ASN A 60 25.836 19.030 7.093 1.00 0.00 H new ATOM 0 HB3 ASN A 60 24.980 17.516 6.874 1.00 0.00 H new ATOM 0 HD21 ASN A 60 23.342 20.948 5.173 1.00 0.00 H new ATOM 0 HD22 ASN A 60 24.401 21.100 6.579 1.00 0.00 H new ATOM 962 N ILE A 61 23.060 16.618 8.635 1.00 0.00 N ATOM 963 CA ILE A 61 21.896 15.737 8.713 1.00 0.00 C ATOM 964 C ILE A 61 20.924 16.291 9.752 1.00 0.00 C ATOM 965 O ILE A 61 19.733 16.465 9.488 1.00 0.00 O ATOM 966 CB ILE A 61 22.333 14.319 9.096 1.00 0.00 C ATOM 967 CG1 ILE A 61 23.225 13.754 7.987 1.00 0.00 C ATOM 968 CG2 ILE A 61 21.102 13.427 9.269 1.00 0.00 C ATOM 969 CD1 ILE A 61 23.936 12.498 8.493 1.00 0.00 C ATOM 0 H ILE A 61 23.964 16.150 8.701 1.00 0.00 H new ATOM 0 HA ILE A 61 21.403 15.693 7.742 1.00 0.00 H new ATOM 0 HB ILE A 61 22.886 14.348 10.035 1.00 0.00 H new ATOM 0 HG12 ILE A 61 22.625 13.516 7.109 1.00 0.00 H new ATOM 0 HG13 ILE A 61 23.958 14.500 7.679 1.00 0.00 H new ATOM 0 HG21 ILE A 61 21.418 12.420 9.541 1.00 0.00 H new ATOM 0 HG22 ILE A 61 20.466 13.833 10.056 1.00 0.00 H new ATOM 0 HG23 ILE A 61 20.544 13.392 8.333 1.00 0.00 H new ATOM 0 HD11 ILE A 61 24.571 12.096 7.703 1.00 0.00 H new ATOM 0 HD12 ILE A 61 24.549 12.751 9.358 1.00 0.00 H new ATOM 0 HD13 ILE A 61 23.196 11.751 8.779 1.00 0.00 H new ATOM 981 N GLN A 62 21.460 16.570 10.932 1.00 0.00 N ATOM 982 CA GLN A 62 20.662 17.115 12.019 1.00 0.00 C ATOM 983 C GLN A 62 20.330 18.586 11.748 1.00 0.00 C ATOM 984 O GLN A 62 20.420 19.426 12.644 1.00 0.00 O ATOM 985 CB GLN A 62 21.435 16.996 13.336 1.00 0.00 C ATOM 986 CG GLN A 62 21.492 15.529 13.773 1.00 0.00 C ATOM 987 CD GLN A 62 22.242 15.410 15.096 1.00 0.00 C ATOM 988 OE1 GLN A 62 23.239 16.100 15.310 1.00 0.00 O ATOM 989 NE2 GLN A 62 21.820 14.571 16.003 1.00 0.00 N ATOM 0 H GLN A 62 22.444 16.428 11.160 1.00 0.00 H new ATOM 0 HA GLN A 62 19.732 16.551 12.091 1.00 0.00 H new ATOM 0 HB2 GLN A 62 22.445 17.388 13.212 1.00 0.00 H new ATOM 0 HB3 GLN A 62 20.952 17.596 14.107 1.00 0.00 H new ATOM 0 HG2 GLN A 62 20.482 15.133 13.881 1.00 0.00 H new ATOM 0 HG3 GLN A 62 21.989 14.932 13.008 1.00 0.00 H new ATOM 0 HE21 GLN A 62 20.994 14.000 15.825 1.00 0.00 H new ATOM 0 HE22 GLN A 62 22.316 14.487 16.890 1.00 0.00 H new ATOM 998 N LYS A 63 19.930 18.890 10.511 1.00 0.00 N ATOM 999 CA LYS A 63 19.570 20.264 10.144 1.00 0.00 C ATOM 1000 C LYS A 63 18.186 20.645 10.683 1.00 0.00 C ATOM 1001 O LYS A 63 17.284 20.983 9.914 1.00 0.00 O ATOM 1002 CB LYS A 63 19.598 20.438 8.618 1.00 0.00 C ATOM 1003 CG LYS A 63 18.864 19.273 7.940 1.00 0.00 C ATOM 1004 CD LYS A 63 18.509 19.650 6.498 1.00 0.00 C ATOM 1005 CE LYS A 63 17.881 18.443 5.797 1.00 0.00 C ATOM 1006 NZ LYS A 63 16.521 18.198 6.354 1.00 0.00 N ATOM 0 H LYS A 63 19.847 18.212 9.753 1.00 0.00 H new ATOM 0 HA LYS A 63 20.307 20.927 10.596 1.00 0.00 H new ATOM 0 HB2 LYS A 63 19.129 21.383 8.343 1.00 0.00 H new ATOM 0 HB3 LYS A 63 20.629 20.481 8.268 1.00 0.00 H new ATOM 0 HG2 LYS A 63 19.492 18.382 7.948 1.00 0.00 H new ATOM 0 HG3 LYS A 63 17.958 19.030 8.495 1.00 0.00 H new ATOM 0 HD2 LYS A 63 17.815 20.491 6.491 1.00 0.00 H new ATOM 0 HD3 LYS A 63 19.403 19.970 5.963 1.00 0.00 H new ATOM 0 HE2 LYS A 63 17.819 18.624 4.724 1.00 0.00 H new ATOM 0 HE3 LYS A 63 18.507 17.562 5.936 1.00 0.00 H new ATOM 0 HZ1 LYS A 63 16.022 17.505 5.760 1.00 0.00 H new ATOM 0 HZ2 LYS A 63 16.604 17.828 7.322 1.00 0.00 H new ATOM 0 HZ3 LYS A 63 15.986 19.090 6.369 1.00 0.00 H new ATOM 1020 N GLU A 64 18.023 20.594 12.001 1.00 0.00 N ATOM 1021 CA GLU A 64 16.737 20.935 12.612 1.00 0.00 C ATOM 1022 C GLU A 64 16.306 22.332 12.175 1.00 0.00 C ATOM 1023 O GLU A 64 15.128 22.584 11.927 1.00 0.00 O ATOM 1024 CB GLU A 64 16.860 20.902 14.140 1.00 0.00 C ATOM 1025 CG GLU A 64 17.272 19.499 14.597 1.00 0.00 C ATOM 1026 CD GLU A 64 16.168 18.498 14.276 1.00 0.00 C ATOM 1027 OE1 GLU A 64 16.136 18.021 13.153 1.00 0.00 O ATOM 1028 OE2 GLU A 64 15.373 18.220 15.158 1.00 0.00 O ATOM 0 H GLU A 64 18.752 20.324 12.661 1.00 0.00 H new ATOM 0 HA GLU A 64 15.992 20.207 12.290 1.00 0.00 H new ATOM 0 HB2 GLU A 64 17.598 21.633 14.471 1.00 0.00 H new ATOM 0 HB3 GLU A 64 15.910 21.179 14.597 1.00 0.00 H new ATOM 0 HG2 GLU A 64 18.197 19.204 14.101 1.00 0.00 H new ATOM 0 HG3 GLU A 64 17.471 19.501 15.669 1.00 0.00 H new HETATM 1035 N SEP A 65 17.279 23.232 12.068 1.00 0.00 N HETATM 1036 CA SEP A 65 17.029 24.611 11.645 1.00 0.00 C HETATM 1037 CB SEP A 65 17.255 25.568 12.809 1.00 0.00 C HETATM 1038 OG SEP A 65 16.979 26.897 12.383 1.00 0.00 O HETATM 1039 C SEP A 65 17.969 24.965 10.497 1.00 0.00 C HETATM 1040 O SEP A 65 18.345 24.096 9.711 1.00 0.00 O HETATM 1041 P SEP A 65 15.550 27.296 11.977 1.00 0.00 P HETATM 1042 O1P SEP A 65 15.531 27.237 10.411 1.00 0.00 O HETATM 1043 O2P SEP A 65 15.351 28.743 12.544 1.00 0.00 O HETATM 1044 O3P SEP A 65 14.613 26.234 12.648 1.00 0.00 O HETATM 0 HB3 SEP A 65 16.610 25.300 13.646 1.00 0.00 H new HETATM 0 HB2 SEP A 65 18.283 25.493 13.163 1.00 0.00 H new HETATM 0 HA SEP A 65 15.995 24.702 11.313 1.00 0.00 H new ATOM 1049 N THR A 66 18.366 26.237 10.409 1.00 0.00 N ATOM 1050 CA THR A 66 19.284 26.675 9.361 1.00 0.00 C ATOM 1051 C THR A 66 20.708 26.610 9.891 1.00 0.00 C ATOM 1052 O THR A 66 20.918 26.252 11.050 1.00 0.00 O ATOM 1053 CB THR A 66 18.940 28.114 8.935 1.00 0.00 C ATOM 1054 OG1 THR A 66 18.419 28.823 10.053 1.00 0.00 O ATOM 1055 CG2 THR A 66 17.899 28.080 7.820 1.00 0.00 C ATOM 0 H THR A 66 18.067 26.975 11.047 1.00 0.00 H new ATOM 0 HA THR A 66 19.191 26.023 8.492 1.00 0.00 H new ATOM 0 HB THR A 66 19.839 28.614 8.574 1.00 0.00 H new ATOM 0 HG1 THR A 66 18.065 29.687 9.756 1.00 0.00 H new ATOM 0 HG21 THR A 66 17.655 29.099 7.518 1.00 0.00 H new ATOM 0 HG22 THR A 66 18.299 27.534 6.965 1.00 0.00 H new ATOM 0 HG23 THR A 66 16.998 27.583 8.179 1.00 0.00 H new ATOM 1063 N LEU A 67 21.700 26.938 9.055 1.00 0.00 N ATOM 1064 CA LEU A 67 23.086 26.877 9.484 1.00 0.00 C ATOM 1065 C LEU A 67 23.449 28.110 10.305 1.00 0.00 C ATOM 1066 O LEU A 67 24.539 28.671 10.168 1.00 0.00 O ATOM 1067 CB LEU A 67 23.986 26.799 8.241 1.00 0.00 C ATOM 1068 CG LEU A 67 23.399 25.800 7.231 1.00 0.00 C ATOM 1069 CD1 LEU A 67 24.306 25.711 5.996 1.00 0.00 C ATOM 1070 CD2 LEU A 67 23.291 24.418 7.880 1.00 0.00 C ATOM 0 H LEU A 67 21.564 27.244 8.091 1.00 0.00 H new ATOM 0 HA LEU A 67 23.230 25.995 10.108 1.00 0.00 H new ATOM 0 HB2 LEU A 67 24.073 27.784 7.782 1.00 0.00 H new ATOM 0 HB3 LEU A 67 24.991 26.491 8.528 1.00 0.00 H new ATOM 0 HG LEU A 67 22.409 26.141 6.928 1.00 0.00 H new ATOM 0 HD11 LEU A 67 23.884 25.001 5.285 1.00 0.00 H new ATOM 0 HD12 LEU A 67 24.381 26.693 5.528 1.00 0.00 H new ATOM 0 HD13 LEU A 67 25.299 25.376 6.297 1.00 0.00 H new ATOM 0 HD21 LEU A 67 22.875 23.711 7.163 1.00 0.00 H new ATOM 0 HD22 LEU A 67 24.281 24.082 8.188 1.00 0.00 H new ATOM 0 HD23 LEU A 67 22.640 24.476 8.752 1.00 0.00 H new ATOM 1082 N HIS A 68 22.526 28.510 11.169 1.00 0.00 N ATOM 1083 CA HIS A 68 22.749 29.661 12.029 1.00 0.00 C ATOM 1084 C HIS A 68 23.577 29.229 13.222 1.00 0.00 C ATOM 1085 O HIS A 68 23.185 28.335 13.974 1.00 0.00 O ATOM 1086 CB HIS A 68 21.410 30.220 12.510 1.00 0.00 C ATOM 1087 CG HIS A 68 20.600 30.660 11.324 1.00 0.00 C ATOM 1088 ND1 HIS A 68 21.128 30.692 10.043 1.00 0.00 N ATOM 1089 CD2 HIS A 68 19.302 31.091 11.207 1.00 0.00 C ATOM 1090 CE1 HIS A 68 20.160 31.129 9.217 1.00 0.00 C ATOM 1091 NE2 HIS A 68 19.026 31.387 9.875 1.00 0.00 N ATOM 0 H HIS A 68 21.621 28.056 11.292 1.00 0.00 H new ATOM 0 HA HIS A 68 23.275 30.436 11.472 1.00 0.00 H new ATOM 0 HB2 HIS A 68 20.868 29.461 13.074 1.00 0.00 H new ATOM 0 HB3 HIS A 68 21.575 31.061 13.184 1.00 0.00 H new ATOM 0 HD2 HIS A 68 18.602 31.186 12.024 1.00 0.00 H new ATOM 0 HE1 HIS A 68 20.284 31.256 8.152 1.00 0.00 H new ATOM 0 HE2 HIS A 68 18.147 31.728 9.485 1.00 0.00 H new ATOM 1100 N LEU A 69 24.736 29.854 13.381 1.00 0.00 N ATOM 1101 CA LEU A 69 25.644 29.523 14.470 1.00 0.00 C ATOM 1102 C LEU A 69 25.651 30.628 15.517 1.00 0.00 C ATOM 1103 O LEU A 69 25.706 31.810 15.176 1.00 0.00 O ATOM 1104 CB LEU A 69 27.060 29.323 13.884 1.00 0.00 C ATOM 1105 CG LEU A 69 27.776 28.154 14.588 1.00 0.00 C ATOM 1106 CD1 LEU A 69 27.776 28.380 16.113 1.00 0.00 C ATOM 1107 CD2 LEU A 69 27.075 26.811 14.245 1.00 0.00 C ATOM 0 H LEU A 69 25.070 30.596 12.766 1.00 0.00 H new ATOM 0 HA LEU A 69 25.313 28.607 14.959 1.00 0.00 H new ATOM 0 HB2 LEU A 69 26.992 29.124 12.814 1.00 0.00 H new ATOM 0 HB3 LEU A 69 27.641 30.237 14.002 1.00 0.00 H new ATOM 0 HG LEU A 69 28.807 28.108 14.237 1.00 0.00 H new ATOM 0 HD11 LEU A 69 28.284 27.550 16.604 1.00 0.00 H new ATOM 0 HD12 LEU A 69 28.296 29.310 16.343 1.00 0.00 H new ATOM 0 HD13 LEU A 69 26.749 28.440 16.472 1.00 0.00 H new ATOM 0 HD21 LEU A 69 27.590 25.993 14.748 1.00 0.00 H new ATOM 0 HD22 LEU A 69 26.038 26.846 14.578 1.00 0.00 H new ATOM 0 HD23 LEU A 69 27.104 26.650 13.167 1.00 0.00 H new ATOM 1119 N VAL A 70 25.616 30.238 16.792 1.00 0.00 N ATOM 1120 CA VAL A 70 25.643 31.208 17.886 1.00 0.00 C ATOM 1121 C VAL A 70 26.922 31.047 18.696 1.00 0.00 C ATOM 1122 O VAL A 70 27.235 29.959 19.182 1.00 0.00 O ATOM 1123 CB VAL A 70 24.422 31.009 18.783 1.00 0.00 C ATOM 1124 CG1 VAL A 70 24.554 31.869 20.042 1.00 0.00 C ATOM 1125 CG2 VAL A 70 23.167 31.425 18.015 1.00 0.00 C ATOM 0 H VAL A 70 25.569 29.264 17.091 1.00 0.00 H new ATOM 0 HA VAL A 70 25.618 32.215 17.470 1.00 0.00 H new ATOM 0 HB VAL A 70 24.352 29.961 19.073 1.00 0.00 H new ATOM 0 HG11 VAL A 70 23.680 31.722 20.676 1.00 0.00 H new ATOM 0 HG12 VAL A 70 25.452 31.579 20.588 1.00 0.00 H new ATOM 0 HG13 VAL A 70 24.624 32.919 19.759 1.00 0.00 H new ATOM 0 HG21 VAL A 70 22.290 31.286 18.648 1.00 0.00 H new ATOM 0 HG22 VAL A 70 23.246 32.474 17.730 1.00 0.00 H new ATOM 0 HG23 VAL A 70 23.069 30.812 17.119 1.00 0.00 H new ATOM 1135 N LEU A 71 27.656 32.144 18.835 1.00 0.00 N ATOM 1136 CA LEU A 71 28.910 32.130 19.594 1.00 0.00 C ATOM 1137 C LEU A 71 28.663 32.507 21.049 1.00 0.00 C ATOM 1138 O LEU A 71 28.185 33.598 21.353 1.00 0.00 O ATOM 1139 CB LEU A 71 29.925 33.100 18.957 1.00 0.00 C ATOM 1140 CG LEU A 71 30.714 32.394 17.848 1.00 0.00 C ATOM 1141 CD1 LEU A 71 29.759 31.713 16.868 1.00 0.00 C ATOM 1142 CD2 LEU A 71 31.557 33.423 17.099 1.00 0.00 C ATOM 0 H LEU A 71 27.411 33.051 18.437 1.00 0.00 H new ATOM 0 HA LEU A 71 29.319 31.120 19.566 1.00 0.00 H new ATOM 0 HB2 LEU A 71 29.403 33.965 18.547 1.00 0.00 H new ATOM 0 HB3 LEU A 71 30.610 33.472 19.719 1.00 0.00 H new ATOM 0 HG LEU A 71 31.358 31.638 18.296 1.00 0.00 H new ATOM 0 HD11 LEU A 71 30.333 31.216 16.086 1.00 0.00 H new ATOM 0 HD12 LEU A 71 29.156 30.976 17.400 1.00 0.00 H new ATOM 0 HD13 LEU A 71 29.105 32.460 16.418 1.00 0.00 H new ATOM 0 HD21 LEU A 71 32.120 32.926 16.309 1.00 0.00 H new ATOM 0 HD22 LEU A 71 30.905 34.178 16.660 1.00 0.00 H new ATOM 0 HD23 LEU A 71 32.249 33.901 17.793 1.00 0.00 H new ATOM 1154 N ARG A 72 29.021 31.588 21.942 1.00 0.00 N ATOM 1155 CA ARG A 72 28.879 31.803 23.381 1.00 0.00 C ATOM 1156 C ARG A 72 30.252 32.116 23.981 1.00 0.00 C ATOM 1157 O ARG A 72 31.272 31.629 23.497 1.00 0.00 O ATOM 1158 CB ARG A 72 28.284 30.533 24.039 1.00 0.00 C ATOM 1159 CG ARG A 72 26.783 30.717 24.319 1.00 0.00 C ATOM 1160 CD ARG A 72 26.589 31.475 25.634 1.00 0.00 C ATOM 1161 NE ARG A 72 26.901 30.606 26.764 1.00 0.00 N ATOM 1162 CZ ARG A 72 26.025 29.709 27.203 1.00 0.00 C ATOM 1163 NH1 ARG A 72 26.327 28.940 28.213 1.00 0.00 N ATOM 1164 NH2 ARG A 72 24.861 29.596 26.623 1.00 0.00 N ATOM 0 H ARG A 72 29.414 30.681 21.693 1.00 0.00 H new ATOM 0 HA ARG A 72 28.208 32.642 23.565 1.00 0.00 H new ATOM 0 HB2 ARG A 72 28.434 29.674 23.385 1.00 0.00 H new ATOM 0 HB3 ARG A 72 28.809 30.320 24.970 1.00 0.00 H new ATOM 0 HG2 ARG A 72 26.316 31.265 23.501 1.00 0.00 H new ATOM 0 HG3 ARG A 72 26.292 29.745 24.373 1.00 0.00 H new ATOM 0 HD2 ARG A 72 27.232 32.355 25.654 1.00 0.00 H new ATOM 0 HD3 ARG A 72 25.561 31.829 25.710 1.00 0.00 H new ATOM 0 HE ARG A 72 27.807 30.689 27.225 1.00 0.00 H new ATOM 0 HH11 ARG A 72 27.237 29.027 28.666 1.00 0.00 H new ATOM 0 HH12 ARG A 72 25.654 28.252 28.549 1.00 0.00 H new ATOM 0 HH21 ARG A 72 24.624 30.196 25.833 1.00 0.00 H new ATOM 0 HH22 ARG A 72 24.188 28.907 26.960 1.00 0.00 H new ATOM 1178 N LEU A 73 30.270 32.923 25.038 1.00 0.00 N ATOM 1179 CA LEU A 73 31.528 33.283 25.703 1.00 0.00 C ATOM 1180 C LEU A 73 31.649 32.555 27.038 1.00 0.00 C ATOM 1181 O LEU A 73 30.700 32.520 27.823 1.00 0.00 O ATOM 1182 CB LEU A 73 31.583 34.796 25.932 1.00 0.00 C ATOM 1183 CG LEU A 73 30.402 35.250 26.837 1.00 0.00 C ATOM 1184 CD1 LEU A 73 30.886 35.474 28.276 1.00 0.00 C ATOM 1185 CD2 LEU A 73 29.812 36.563 26.305 1.00 0.00 C ATOM 0 H LEU A 73 29.437 33.340 25.453 1.00 0.00 H new ATOM 0 HA LEU A 73 32.359 32.986 25.063 1.00 0.00 H new ATOM 0 HB2 LEU A 73 32.531 35.066 26.398 1.00 0.00 H new ATOM 0 HB3 LEU A 73 31.538 35.317 24.976 1.00 0.00 H new ATOM 0 HG LEU A 73 29.642 34.469 26.827 1.00 0.00 H new ATOM 0 HD11 LEU A 73 30.048 35.791 28.897 1.00 0.00 H new ATOM 0 HD12 LEU A 73 31.298 34.545 28.670 1.00 0.00 H new ATOM 0 HD13 LEU A 73 31.656 36.245 28.285 1.00 0.00 H new ATOM 0 HD21 LEU A 73 28.985 36.875 26.943 1.00 0.00 H new ATOM 0 HD22 LEU A 73 30.582 37.334 26.305 1.00 0.00 H new ATOM 0 HD23 LEU A 73 29.449 36.413 25.288 1.00 0.00 H new ATOM 1197 N ARG A 74 32.820 31.974 27.292 1.00 0.00 N ATOM 1198 CA ARG A 74 33.050 31.251 28.537 1.00 0.00 C ATOM 1199 C ARG A 74 33.240 32.224 29.697 1.00 0.00 C ATOM 1200 O ARG A 74 32.635 32.067 30.757 1.00 0.00 O ATOM 1201 CB ARG A 74 34.294 30.369 28.400 1.00 0.00 C ATOM 1202 CG ARG A 74 34.454 29.507 29.654 1.00 0.00 C ATOM 1203 CD ARG A 74 35.626 28.540 29.467 1.00 0.00 C ATOM 1204 NE ARG A 74 36.873 29.281 29.314 1.00 0.00 N ATOM 1205 CZ ARG A 74 37.491 29.812 30.364 1.00 0.00 C ATOM 1206 NH1 ARG A 74 38.611 30.462 30.202 1.00 0.00 N ATOM 1207 NH2 ARG A 74 36.977 29.686 31.557 1.00 0.00 N ATOM 0 H ARG A 74 33.618 31.990 26.656 1.00 0.00 H new ATOM 0 HA ARG A 74 32.179 30.628 28.742 1.00 0.00 H new ATOM 0 HB2 ARG A 74 34.206 29.734 27.519 1.00 0.00 H new ATOM 0 HB3 ARG A 74 35.178 30.990 28.258 1.00 0.00 H new ATOM 0 HG2 ARG A 74 34.628 30.141 30.523 1.00 0.00 H new ATOM 0 HG3 ARG A 74 33.537 28.950 29.844 1.00 0.00 H new ATOM 0 HD2 ARG A 74 35.695 27.871 30.325 1.00 0.00 H new ATOM 0 HD3 ARG A 74 35.455 27.916 28.590 1.00 0.00 H new ATOM 0 HE ARG A 74 37.278 29.394 28.385 1.00 0.00 H new ATOM 0 HH11 ARG A 74 39.012 30.563 29.270 1.00 0.00 H new ATOM 0 HH12 ARG A 74 39.085 30.870 31.008 1.00 0.00 H new ATOM 0 HH21 ARG A 74 36.101 29.180 31.684 1.00 0.00 H new ATOM 0 HH22 ARG A 74 37.452 30.094 32.363 1.00 0.00 H new ATOM 1221 N GLY A 75 34.085 33.229 29.488 1.00 0.00 N ATOM 1222 CA GLY A 75 34.348 34.222 30.523 1.00 0.00 C ATOM 1223 C GLY A 75 35.417 35.210 30.071 1.00 0.00 C ATOM 1224 O GLY A 75 36.468 34.814 29.567 1.00 0.00 O ATOM 0 H GLY A 75 34.596 33.377 28.618 1.00 0.00 H new ATOM 0 HA2 GLY A 75 33.429 34.758 30.760 1.00 0.00 H new ATOM 0 HA3 GLY A 75 34.671 33.724 31.437 1.00 0.00 H new ATOM 1228 N GLY A 76 35.141 36.497 30.253 1.00 0.00 N ATOM 1229 CA GLY A 76 36.088 37.534 29.859 1.00 0.00 C ATOM 1230 C GLY A 76 35.588 38.914 30.274 1.00 0.00 C ATOM 1231 O GLY A 76 36.417 39.783 30.489 1.00 0.00 O ATOM 1232 OXT GLY A 76 34.383 39.081 30.371 1.00 0.00 O ATOM 0 H GLY A 76 34.276 36.845 30.667 1.00 0.00 H new ATOM 0 HA2 GLY A 76 37.057 37.341 30.319 1.00 0.00 H new ATOM 0 HA3 GLY A 76 36.236 37.506 28.779 1.00 0.00 H new TER 1236 GLY A 76