USER MOD reduce.3.24.130724 H: found=0, std=0, add=628, rem=0, adj=16 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 55 THR OG1 : rot 10:sc= 1.42 USER MOD Set 1.2: A 57 SER OG : rot -61:sc= 0.462 USER MOD Set 2.1: A 7 THR OG1 : rot 2:sc= -0.612! USER MOD Set 2.2: A 9 THR OG1 : rot -27:sc= 0.865 USER MOD Set 2.3: A 11 LYS NZ :NH3+ -105:sc= -2.29! (180deg=-5.23!) USER MOD Single : A 1 MET CE :methyl -139:sc= -0.0113 (180deg=-0.797) USER MOD Single : A 1 MET N :NH3+ 161:sc= 1.15 (180deg=0.409) USER MOD Single : A 2 GLN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 6 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 12 THR OG1 : rot 180:sc= 0 USER MOD Single : A 14 THR OG1 : rot -67:sc= 1.89 USER MOD Single : A 20 SER OG : rot -15:sc= 0.985 USER MOD Single : A 22 THR OG1 : rot 180:sc= 0.173 USER MOD Single : A 25 ASN : amide:sc= -0.0203 K(o=-0.02,f=-1.3!) USER MOD Single : A 27 LYS NZ :NH3+ -168:sc= 0 (180deg=-0.0419) USER MOD Single : A 29 LYS NZ :NH3+ -141:sc= -0.101 (180deg=-0.819) USER MOD Single : A 31 GLN : amide:sc= -0.145 K(o=-0.14,f=-1.9!) USER MOD Single : A 33 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 40 GLN :FLIP amide:sc= 0 F(o=-0.85!,f=0) USER MOD Single : A 41 GLN : amide:sc= -1.26 X(o=-1.3,f=-1.3) USER MOD Single : A 48 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 49 GLN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 59 TYR OH : rot 180:sc= -0.385 USER MOD Single : A 60 ASN : amide:sc= -0.0547 X(o=-0.055,f=-0.055) USER MOD Single : A 62 GLN : amide:sc= -0.116 X(o=-0.12,f=-0.6) USER MOD Single : A 63 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 66 THR OG1 : rot 180:sc= 0 USER MOD Single : A 68 HIS : no HD1:sc= 0 X(o=0,f=-0.17) USER MOD ----------------------------------------------------------------- ATOM 1 N MET A 1 32.276 31.288 2.527 1.00 0.00 N ATOM 2 CA MET A 1 32.336 32.684 3.044 1.00 0.00 C ATOM 3 C MET A 1 33.167 32.712 4.321 1.00 0.00 C ATOM 4 O MET A 1 33.533 31.665 4.856 1.00 0.00 O ATOM 5 CB MET A 1 30.919 33.188 3.329 1.00 0.00 C ATOM 6 CG MET A 1 30.170 32.170 4.197 1.00 0.00 C ATOM 7 SD MET A 1 28.538 32.830 4.625 1.00 0.00 S ATOM 8 CE MET A 1 28.305 31.929 6.179 1.00 0.00 C ATOM 0 H1 MET A 1 31.476 31.196 1.869 1.00 0.00 H new ATOM 0 H2 MET A 1 33.161 31.064 2.030 1.00 0.00 H new ATOM 0 H3 MET A 1 32.148 30.629 3.321 1.00 0.00 H new ATOM 0 HA MET A 1 32.798 33.332 2.299 1.00 0.00 H new ATOM 0 HB2 MET A 1 30.961 34.151 3.837 1.00 0.00 H new ATOM 0 HB3 MET A 1 30.384 33.345 2.392 1.00 0.00 H new ATOM 0 HG2 MET A 1 30.064 31.227 3.661 1.00 0.00 H new ATOM 0 HG3 MET A 1 30.739 31.960 5.103 1.00 0.00 H new ATOM 0 HE1 MET A 1 27.274 31.581 6.247 1.00 0.00 H new ATOM 0 HE2 MET A 1 28.979 31.073 6.208 1.00 0.00 H new ATOM 0 HE3 MET A 1 28.521 32.590 7.019 1.00 0.00 H new ATOM 20 N GLN A 2 33.468 33.919 4.804 1.00 0.00 N ATOM 21 CA GLN A 2 34.264 34.084 6.021 1.00 0.00 C ATOM 22 C GLN A 2 33.424 34.718 7.125 1.00 0.00 C ATOM 23 O GLN A 2 32.525 35.516 6.858 1.00 0.00 O ATOM 24 CB GLN A 2 35.471 34.976 5.725 1.00 0.00 C ATOM 25 CG GLN A 2 34.992 36.361 5.282 1.00 0.00 C ATOM 26 CD GLN A 2 36.178 37.198 4.816 1.00 0.00 C ATOM 27 OE1 GLN A 2 36.217 37.637 3.666 1.00 0.00 O ATOM 28 NE2 GLN A 2 37.154 37.449 5.646 1.00 0.00 N ATOM 0 H GLN A 2 33.173 34.795 4.372 1.00 0.00 H new ATOM 0 HA GLN A 2 34.602 33.103 6.355 1.00 0.00 H new ATOM 0 HB2 GLN A 2 36.097 35.064 6.613 1.00 0.00 H new ATOM 0 HB3 GLN A 2 36.085 34.526 4.945 1.00 0.00 H new ATOM 0 HG2 GLN A 2 34.266 36.263 4.475 1.00 0.00 H new ATOM 0 HG3 GLN A 2 34.485 36.861 6.107 1.00 0.00 H new ATOM 0 HE21 GLN A 2 37.120 37.085 6.598 1.00 0.00 H new ATOM 0 HE22 GLN A 2 37.950 38.009 5.342 1.00 0.00 H new ATOM 37 N ILE A 3 33.740 34.368 8.369 1.00 0.00 N ATOM 38 CA ILE A 3 33.031 34.920 9.521 1.00 0.00 C ATOM 39 C ILE A 3 33.932 34.913 10.740 1.00 0.00 C ATOM 40 O ILE A 3 35.002 34.309 10.734 1.00 0.00 O ATOM 41 CB ILE A 3 31.740 34.141 9.824 1.00 0.00 C ATOM 42 CG1 ILE A 3 32.043 32.632 9.932 1.00 0.00 C ATOM 43 CG2 ILE A 3 30.704 34.406 8.719 1.00 0.00 C ATOM 44 CD1 ILE A 3 30.752 31.818 9.780 1.00 0.00 C ATOM 0 H ILE A 3 34.480 33.707 8.605 1.00 0.00 H new ATOM 0 HA ILE A 3 32.754 35.945 9.276 1.00 0.00 H new ATOM 0 HB ILE A 3 31.332 34.478 10.777 1.00 0.00 H new ATOM 0 HG12 ILE A 3 32.757 32.341 9.161 1.00 0.00 H new ATOM 0 HG13 ILE A 3 32.507 32.415 10.894 1.00 0.00 H new ATOM 0 HG21 ILE A 3 29.790 33.853 8.937 1.00 0.00 H new ATOM 0 HG22 ILE A 3 30.481 35.472 8.677 1.00 0.00 H new ATOM 0 HG23 ILE A 3 31.105 34.081 7.759 1.00 0.00 H new ATOM 0 HD11 ILE A 3 30.981 30.755 9.858 1.00 0.00 H new ATOM 0 HD12 ILE A 3 30.051 32.097 10.567 1.00 0.00 H new ATOM 0 HD13 ILE A 3 30.305 32.022 8.807 1.00 0.00 H new ATOM 56 N PHE A 4 33.488 35.593 11.791 1.00 0.00 N ATOM 57 CA PHE A 4 34.256 35.681 13.031 1.00 0.00 C ATOM 58 C PHE A 4 33.542 34.947 14.159 1.00 0.00 C ATOM 59 O PHE A 4 32.315 34.998 14.267 1.00 0.00 O ATOM 60 CB PHE A 4 34.425 37.150 13.423 1.00 0.00 C ATOM 61 CG PHE A 4 35.152 37.893 12.328 1.00 0.00 C ATOM 62 CD1 PHE A 4 34.429 38.482 11.283 1.00 0.00 C ATOM 63 CD2 PHE A 4 36.548 38.002 12.362 1.00 0.00 C ATOM 64 CE1 PHE A 4 35.102 39.180 10.272 1.00 0.00 C ATOM 65 CE2 PHE A 4 37.220 38.698 11.350 1.00 0.00 C ATOM 66 CZ PHE A 4 36.498 39.288 10.306 1.00 0.00 C ATOM 0 H PHE A 4 32.599 36.093 11.811 1.00 0.00 H new ATOM 0 HA PHE A 4 35.230 35.220 12.868 1.00 0.00 H new ATOM 0 HB2 PHE A 4 33.449 37.604 13.597 1.00 0.00 H new ATOM 0 HB3 PHE A 4 34.982 37.225 14.357 1.00 0.00 H new ATOM 0 HD1 PHE A 4 33.353 38.398 11.257 1.00 0.00 H new ATOM 0 HD2 PHE A 4 37.106 37.549 13.168 1.00 0.00 H new ATOM 0 HE1 PHE A 4 34.545 39.635 9.467 1.00 0.00 H new ATOM 0 HE2 PHE A 4 38.297 38.780 11.375 1.00 0.00 H new ATOM 0 HZ PHE A 4 37.017 39.826 9.527 1.00 0.00 H new ATOM 76 N VAL A 5 34.320 34.278 15.012 1.00 0.00 N ATOM 77 CA VAL A 5 33.765 33.547 16.148 1.00 0.00 C ATOM 78 C VAL A 5 34.285 34.156 17.437 1.00 0.00 C ATOM 79 O VAL A 5 35.484 34.386 17.597 1.00 0.00 O ATOM 80 CB VAL A 5 34.152 32.066 16.062 1.00 0.00 C ATOM 81 CG1 VAL A 5 33.837 31.364 17.390 1.00 0.00 C ATOM 82 CG2 VAL A 5 33.338 31.406 14.945 1.00 0.00 C ATOM 0 H VAL A 5 35.336 34.229 14.936 1.00 0.00 H new ATOM 0 HA VAL A 5 32.677 33.619 16.131 1.00 0.00 H new ATOM 0 HB VAL A 5 35.219 31.982 15.855 1.00 0.00 H new ATOM 0 HG11 VAL A 5 34.115 30.312 17.320 1.00 0.00 H new ATOM 0 HG12 VAL A 5 34.402 31.836 18.194 1.00 0.00 H new ATOM 0 HG13 VAL A 5 32.770 31.444 17.600 1.00 0.00 H new ATOM 0 HG21 VAL A 5 33.605 30.352 14.874 1.00 0.00 H new ATOM 0 HG22 VAL A 5 32.275 31.497 15.167 1.00 0.00 H new ATOM 0 HG23 VAL A 5 33.554 31.899 13.997 1.00 0.00 H new ATOM 92 N LYS A 6 33.361 34.433 18.341 1.00 0.00 N ATOM 93 CA LYS A 6 33.694 35.044 19.624 1.00 0.00 C ATOM 94 C LYS A 6 33.515 34.043 20.764 1.00 0.00 C ATOM 95 O LYS A 6 32.478 33.377 20.855 1.00 0.00 O ATOM 96 CB LYS A 6 32.766 36.243 19.845 1.00 0.00 C ATOM 97 CG LYS A 6 33.371 37.194 20.875 1.00 0.00 C ATOM 98 CD LYS A 6 32.466 38.419 21.012 1.00 0.00 C ATOM 99 CE LYS A 6 33.046 39.381 22.048 1.00 0.00 C ATOM 100 NZ LYS A 6 32.128 40.545 22.212 1.00 0.00 N ATOM 0 H LYS A 6 32.367 34.244 18.212 1.00 0.00 H new ATOM 0 HA LYS A 6 34.736 35.363 19.611 1.00 0.00 H new ATOM 0 HB2 LYS A 6 32.608 36.768 18.903 1.00 0.00 H new ATOM 0 HB3 LYS A 6 31.790 35.899 20.186 1.00 0.00 H new ATOM 0 HG2 LYS A 6 33.473 36.692 21.837 1.00 0.00 H new ATOM 0 HG3 LYS A 6 34.371 37.497 20.566 1.00 0.00 H new ATOM 0 HD2 LYS A 6 32.371 38.921 20.049 1.00 0.00 H new ATOM 0 HD3 LYS A 6 31.464 38.110 21.310 1.00 0.00 H new ATOM 0 HE2 LYS A 6 33.177 38.870 23.002 1.00 0.00 H new ATOM 0 HE3 LYS A 6 34.031 39.723 21.732 1.00 0.00 H new ATOM 0 HZ1 LYS A 6 32.521 41.201 22.917 1.00 0.00 H new ATOM 0 HZ2 LYS A 6 32.025 41.037 21.301 1.00 0.00 H new ATOM 0 HZ3 LYS A 6 31.197 40.210 22.532 1.00 0.00 H new ATOM 114 N THR A 7 34.520 33.945 21.636 1.00 0.00 N ATOM 115 CA THR A 7 34.453 33.024 22.775 1.00 0.00 C ATOM 116 C THR A 7 34.266 33.803 24.071 1.00 0.00 C ATOM 117 O THR A 7 34.174 35.033 24.069 1.00 0.00 O ATOM 118 CB THR A 7 35.733 32.190 22.864 1.00 0.00 C ATOM 119 OG1 THR A 7 36.779 32.980 23.412 1.00 0.00 O ATOM 120 CG2 THR A 7 36.132 31.705 21.469 1.00 0.00 C ATOM 0 H THR A 7 35.383 34.486 21.578 1.00 0.00 H new ATOM 0 HA THR A 7 33.603 32.358 22.627 1.00 0.00 H new ATOM 0 HB THR A 7 35.556 31.328 23.507 1.00 0.00 H new ATOM 0 HG1 THR A 7 36.432 33.867 23.643 1.00 0.00 H new ATOM 0 HG21 THR A 7 37.044 31.112 21.537 1.00 0.00 H new ATOM 0 HG22 THR A 7 35.331 31.093 21.054 1.00 0.00 H new ATOM 0 HG23 THR A 7 36.306 32.564 20.821 1.00 0.00 H new ATOM 128 N LEU A 8 34.227 33.091 25.193 1.00 0.00 N ATOM 129 CA LEU A 8 34.060 33.744 26.481 1.00 0.00 C ATOM 130 C LEU A 8 35.305 34.553 26.849 1.00 0.00 C ATOM 131 O LEU A 8 35.208 35.580 27.525 1.00 0.00 O ATOM 132 CB LEU A 8 33.778 32.691 27.572 1.00 0.00 C ATOM 133 CG LEU A 8 33.696 33.363 28.954 1.00 0.00 C ATOM 134 CD1 LEU A 8 32.639 34.474 28.931 1.00 0.00 C ATOM 135 CD2 LEU A 8 33.317 32.321 30.014 1.00 0.00 C ATOM 0 H LEU A 8 34.308 32.075 25.235 1.00 0.00 H new ATOM 0 HA LEU A 8 33.214 34.428 26.411 1.00 0.00 H new ATOM 0 HB2 LEU A 8 32.843 32.174 27.355 1.00 0.00 H new ATOM 0 HB3 LEU A 8 34.566 31.938 27.572 1.00 0.00 H new ATOM 0 HG LEU A 8 34.667 33.794 29.198 1.00 0.00 H new ATOM 0 HD11 LEU A 8 32.586 34.946 29.912 1.00 0.00 H new ATOM 0 HD12 LEU A 8 32.911 35.220 28.184 1.00 0.00 H new ATOM 0 HD13 LEU A 8 31.668 34.047 28.680 1.00 0.00 H new ATOM 0 HD21 LEU A 8 33.260 32.800 30.991 1.00 0.00 H new ATOM 0 HD22 LEU A 8 32.349 31.885 29.766 1.00 0.00 H new ATOM 0 HD23 LEU A 8 34.073 31.536 30.039 1.00 0.00 H new ATOM 147 N THR A 9 36.473 34.087 26.421 1.00 0.00 N ATOM 148 CA THR A 9 37.717 34.787 26.735 1.00 0.00 C ATOM 149 C THR A 9 37.880 36.029 25.863 1.00 0.00 C ATOM 150 O THR A 9 38.944 36.647 25.852 1.00 0.00 O ATOM 151 CB THR A 9 38.917 33.856 26.534 1.00 0.00 C ATOM 152 OG1 THR A 9 38.968 33.431 25.180 1.00 0.00 O ATOM 153 CG2 THR A 9 38.782 32.637 27.446 1.00 0.00 C ATOM 0 H THR A 9 36.587 33.240 25.864 1.00 0.00 H new ATOM 0 HA THR A 9 37.673 35.098 27.779 1.00 0.00 H new ATOM 0 HB THR A 9 39.833 34.392 26.781 1.00 0.00 H new ATOM 0 HG1 THR A 9 38.064 33.437 24.801 1.00 0.00 H new ATOM 0 HG21 THR A 9 39.637 31.977 27.300 1.00 0.00 H new ATOM 0 HG22 THR A 9 38.748 32.962 28.486 1.00 0.00 H new ATOM 0 HG23 THR A 9 37.865 32.101 27.203 1.00 0.00 H new ATOM 161 N GLY A 10 36.823 36.396 25.141 1.00 0.00 N ATOM 162 CA GLY A 10 36.876 37.575 24.285 1.00 0.00 C ATOM 163 C GLY A 10 37.831 37.360 23.117 1.00 0.00 C ATOM 164 O GLY A 10 38.367 38.317 22.557 1.00 0.00 O ATOM 0 H GLY A 10 35.932 35.900 25.132 1.00 0.00 H new ATOM 0 HA2 GLY A 10 35.879 37.799 23.907 1.00 0.00 H new ATOM 0 HA3 GLY A 10 37.198 38.438 24.868 1.00 0.00 H new ATOM 168 N LYS A 11 38.032 36.100 22.744 1.00 0.00 N ATOM 169 CA LYS A 11 38.917 35.774 21.629 1.00 0.00 C ATOM 170 C LYS A 11 38.142 35.842 20.323 1.00 0.00 C ATOM 171 O LYS A 11 37.051 35.280 20.216 1.00 0.00 O ATOM 172 CB LYS A 11 39.488 34.362 21.805 1.00 0.00 C ATOM 173 CG LYS A 11 40.672 34.156 20.851 1.00 0.00 C ATOM 174 CD LYS A 11 41.033 32.667 20.797 1.00 0.00 C ATOM 175 CE LYS A 11 41.258 32.137 22.218 1.00 0.00 C ATOM 176 NZ LYS A 11 39.943 31.810 22.840 1.00 0.00 N ATOM 0 H LYS A 11 37.598 35.293 23.193 1.00 0.00 H new ATOM 0 HA LYS A 11 39.736 36.493 21.608 1.00 0.00 H new ATOM 0 HB2 LYS A 11 39.811 34.216 22.836 1.00 0.00 H new ATOM 0 HB3 LYS A 11 38.715 33.620 21.605 1.00 0.00 H new ATOM 0 HG2 LYS A 11 40.416 34.515 19.854 1.00 0.00 H new ATOM 0 HG3 LYS A 11 41.530 34.737 21.189 1.00 0.00 H new ATOM 0 HD2 LYS A 11 40.234 32.107 20.312 1.00 0.00 H new ATOM 0 HD3 LYS A 11 41.932 32.523 20.198 1.00 0.00 H new ATOM 0 HE2 LYS A 11 41.890 31.250 22.191 1.00 0.00 H new ATOM 0 HE3 LYS A 11 41.781 32.883 22.817 1.00 0.00 H new ATOM 0 HZ1 LYS A 11 39.696 32.543 23.535 1.00 0.00 H new ATOM 0 HZ2 LYS A 11 39.210 31.771 22.103 1.00 0.00 H new ATOM 0 HZ3 LYS A 11 40.004 30.888 23.316 1.00 0.00 H new ATOM 190 N THR A 12 38.710 36.518 19.326 1.00 0.00 N ATOM 191 CA THR A 12 38.066 36.637 18.018 1.00 0.00 C ATOM 192 C THR A 12 38.942 35.981 16.963 1.00 0.00 C ATOM 193 O THR A 12 40.104 36.347 16.782 1.00 0.00 O ATOM 194 CB THR A 12 37.853 38.108 17.653 1.00 0.00 C ATOM 195 OG1 THR A 12 37.194 38.768 18.725 1.00 0.00 O ATOM 196 CG2 THR A 12 36.991 38.196 16.387 1.00 0.00 C ATOM 0 H THR A 12 39.611 36.990 19.398 1.00 0.00 H new ATOM 0 HA THR A 12 37.096 36.141 18.060 1.00 0.00 H new ATOM 0 HB THR A 12 38.816 38.585 17.471 1.00 0.00 H new ATOM 0 HG1 THR A 12 37.058 39.711 18.495 1.00 0.00 H new ATOM 0 HG21 THR A 12 36.837 39.242 16.124 1.00 0.00 H new ATOM 0 HG22 THR A 12 37.496 37.686 15.567 1.00 0.00 H new ATOM 0 HG23 THR A 12 36.027 37.722 16.570 1.00 0.00 H new ATOM 204 N ILE A 13 38.371 35.010 16.269 1.00 0.00 N ATOM 205 CA ILE A 13 39.093 34.293 15.220 1.00 0.00 C ATOM 206 C ILE A 13 38.228 34.163 13.983 1.00 0.00 C ATOM 207 O ILE A 13 37.011 33.999 14.075 1.00 0.00 O ATOM 208 CB ILE A 13 39.508 32.908 15.716 1.00 0.00 C ATOM 209 CG1 ILE A 13 38.302 32.215 16.346 1.00 0.00 C ATOM 210 CG2 ILE A 13 40.620 33.049 16.756 1.00 0.00 C ATOM 211 CD1 ILE A 13 38.693 30.802 16.782 1.00 0.00 C ATOM 0 H ILE A 13 37.410 34.697 16.410 1.00 0.00 H new ATOM 0 HA ILE A 13 39.989 34.859 14.965 1.00 0.00 H new ATOM 0 HB ILE A 13 39.872 32.314 14.878 1.00 0.00 H new ATOM 0 HG12 ILE A 13 37.948 32.787 17.204 1.00 0.00 H new ATOM 0 HG13 ILE A 13 37.480 32.172 15.631 1.00 0.00 H new ATOM 0 HG21 ILE A 13 40.915 32.061 17.109 1.00 0.00 H new ATOM 0 HG22 ILE A 13 41.479 33.545 16.305 1.00 0.00 H new ATOM 0 HG23 ILE A 13 40.259 33.642 17.596 1.00 0.00 H new ATOM 0 HD11 ILE A 13 37.831 30.308 17.232 1.00 0.00 H new ATOM 0 HD12 ILE A 13 39.026 30.232 15.914 1.00 0.00 H new ATOM 0 HD13 ILE A 13 39.501 30.857 17.511 1.00 0.00 H new ATOM 223 N THR A 14 38.863 34.240 12.822 1.00 0.00 N ATOM 224 CA THR A 14 38.141 34.129 11.559 1.00 0.00 C ATOM 225 C THR A 14 38.203 32.698 11.035 1.00 0.00 C ATOM 226 O THR A 14 39.254 32.055 11.056 1.00 0.00 O ATOM 227 CB THR A 14 38.728 35.090 10.526 1.00 0.00 C ATOM 228 OG1 THR A 14 38.908 36.362 11.129 1.00 0.00 O ATOM 229 CG2 THR A 14 37.760 35.217 9.343 1.00 0.00 C ATOM 0 H THR A 14 39.869 34.378 12.726 1.00 0.00 H new ATOM 0 HA THR A 14 37.098 34.394 11.734 1.00 0.00 H new ATOM 0 HB THR A 14 39.687 34.712 10.170 1.00 0.00 H new ATOM 0 HG1 THR A 14 38.034 36.748 11.347 1.00 0.00 H new ATOM 0 HG21 THR A 14 38.176 35.902 8.604 1.00 0.00 H new ATOM 0 HG22 THR A 14 37.612 34.238 8.887 1.00 0.00 H new ATOM 0 HG23 THR A 14 36.803 35.601 9.696 1.00 0.00 H new ATOM 237 N LEU A 15 37.052 32.208 10.579 1.00 0.00 N ATOM 238 CA LEU A 15 36.932 30.846 10.055 1.00 0.00 C ATOM 239 C LEU A 15 36.369 30.884 8.631 1.00 0.00 C ATOM 240 O LEU A 15 35.523 31.720 8.308 1.00 0.00 O ATOM 241 CB LEU A 15 35.982 30.044 10.984 1.00 0.00 C ATOM 242 CG LEU A 15 36.727 28.916 11.713 1.00 0.00 C ATOM 243 CD1 LEU A 15 37.751 29.504 12.693 1.00 0.00 C ATOM 244 CD2 LEU A 15 35.708 28.073 12.485 1.00 0.00 C ATOM 0 H LEU A 15 36.181 32.738 10.561 1.00 0.00 H new ATOM 0 HA LEU A 15 37.911 30.368 10.026 1.00 0.00 H new ATOM 0 HB2 LEU A 15 35.533 30.717 11.715 1.00 0.00 H new ATOM 0 HB3 LEU A 15 35.167 29.622 10.396 1.00 0.00 H new ATOM 0 HG LEU A 15 37.253 28.298 10.985 1.00 0.00 H new ATOM 0 HD11 LEU A 15 38.273 28.694 13.204 1.00 0.00 H new ATOM 0 HD12 LEU A 15 38.472 30.111 12.145 1.00 0.00 H new ATOM 0 HD13 LEU A 15 37.237 30.125 13.427 1.00 0.00 H new ATOM 0 HD21 LEU A 15 36.224 27.268 13.008 1.00 0.00 H new ATOM 0 HD22 LEU A 15 35.189 28.702 13.209 1.00 0.00 H new ATOM 0 HD23 LEU A 15 34.985 27.649 11.789 1.00 0.00 H new ATOM 256 N GLU A 16 36.813 29.943 7.801 1.00 0.00 N ATOM 257 CA GLU A 16 36.323 29.841 6.423 1.00 0.00 C ATOM 258 C GLU A 16 35.382 28.648 6.327 1.00 0.00 C ATOM 259 O GLU A 16 35.765 27.523 6.639 1.00 0.00 O ATOM 260 CB GLU A 16 37.488 29.663 5.440 1.00 0.00 C ATOM 261 CG GLU A 16 38.454 30.845 5.561 1.00 0.00 C ATOM 262 CD GLU A 16 39.672 30.614 4.674 1.00 0.00 C ATOM 263 OE1 GLU A 16 39.535 30.737 3.467 1.00 0.00 O ATOM 264 OE2 GLU A 16 40.724 30.315 5.214 1.00 0.00 O ATOM 0 H GLU A 16 37.509 29.241 8.055 1.00 0.00 H new ATOM 0 HA GLU A 16 35.797 30.759 6.162 1.00 0.00 H new ATOM 0 HB2 GLU A 16 38.012 28.730 5.648 1.00 0.00 H new ATOM 0 HB3 GLU A 16 37.108 29.595 4.421 1.00 0.00 H new ATOM 0 HG2 GLU A 16 37.951 31.768 5.270 1.00 0.00 H new ATOM 0 HG3 GLU A 16 38.767 30.966 6.598 1.00 0.00 H new ATOM 271 N VAL A 17 34.143 28.901 5.910 1.00 0.00 N ATOM 272 CA VAL A 17 33.156 27.826 5.805 1.00 0.00 C ATOM 273 C VAL A 17 32.226 28.030 4.613 1.00 0.00 C ATOM 274 O VAL A 17 32.102 29.135 4.085 1.00 0.00 O ATOM 275 CB VAL A 17 32.346 27.720 7.116 1.00 0.00 C ATOM 276 CG1 VAL A 17 33.252 28.018 8.313 1.00 0.00 C ATOM 277 CG2 VAL A 17 31.189 28.721 7.113 1.00 0.00 C ATOM 0 H VAL A 17 33.801 29.824 5.643 1.00 0.00 H new ATOM 0 HA VAL A 17 33.693 26.891 5.642 1.00 0.00 H new ATOM 0 HB VAL A 17 31.949 26.708 7.192 1.00 0.00 H new ATOM 0 HG11 VAL A 17 32.675 27.942 9.234 1.00 0.00 H new ATOM 0 HG12 VAL A 17 34.071 27.299 8.337 1.00 0.00 H new ATOM 0 HG13 VAL A 17 33.657 29.026 8.221 1.00 0.00 H new ATOM 0 HG21 VAL A 17 30.629 28.633 8.044 1.00 0.00 H new ATOM 0 HG22 VAL A 17 31.584 29.733 7.022 1.00 0.00 H new ATOM 0 HG23 VAL A 17 30.529 28.512 6.271 1.00 0.00 H new ATOM 287 N GLU A 18 31.555 26.951 4.220 1.00 0.00 N ATOM 288 CA GLU A 18 30.607 26.989 3.112 1.00 0.00 C ATOM 289 C GLU A 18 29.202 27.219 3.666 1.00 0.00 C ATOM 290 O GLU A 18 28.915 26.839 4.801 1.00 0.00 O ATOM 291 CB GLU A 18 30.657 25.658 2.351 1.00 0.00 C ATOM 292 CG GLU A 18 31.911 25.612 1.476 1.00 0.00 C ATOM 293 CD GLU A 18 31.970 24.287 0.723 1.00 0.00 C ATOM 294 OE1 GLU A 18 31.724 23.266 1.344 1.00 0.00 O ATOM 295 OE2 GLU A 18 32.259 24.313 -0.461 1.00 0.00 O ATOM 0 H GLU A 18 31.652 26.034 4.656 1.00 0.00 H new ATOM 0 HA GLU A 18 30.865 27.799 2.430 1.00 0.00 H new ATOM 0 HB2 GLU A 18 30.662 24.826 3.055 1.00 0.00 H new ATOM 0 HB3 GLU A 18 29.766 25.548 1.733 1.00 0.00 H new ATOM 0 HG2 GLU A 18 31.903 26.442 0.769 1.00 0.00 H new ATOM 0 HG3 GLU A 18 32.801 25.729 2.094 1.00 0.00 H new ATOM 302 N PRO A 19 28.325 27.829 2.911 1.00 0.00 N ATOM 303 CA PRO A 19 26.935 28.101 3.380 1.00 0.00 C ATOM 304 C PRO A 19 26.147 26.809 3.569 1.00 0.00 C ATOM 305 O PRO A 19 25.056 26.815 4.141 1.00 0.00 O ATOM 306 CB PRO A 19 26.337 28.968 2.259 1.00 0.00 C ATOM 307 CG PRO A 19 27.129 28.618 1.042 1.00 0.00 C ATOM 308 CD PRO A 19 28.542 28.316 1.537 1.00 0.00 C ATOM 0 HA PRO A 19 26.907 28.594 4.352 1.00 0.00 H new ATOM 0 HB2 PRO A 19 25.278 28.755 2.116 1.00 0.00 H new ATOM 0 HB3 PRO A 19 26.420 30.029 2.493 1.00 0.00 H new ATOM 0 HG2 PRO A 19 26.701 27.755 0.532 1.00 0.00 H new ATOM 0 HG3 PRO A 19 27.133 29.441 0.328 1.00 0.00 H new ATOM 0 HD2 PRO A 19 29.033 27.566 0.917 1.00 0.00 H new ATOM 0 HD3 PRO A 19 29.172 29.205 1.521 1.00 0.00 H new ATOM 316 N SER A 20 26.700 25.702 3.070 1.00 0.00 N ATOM 317 CA SER A 20 26.039 24.401 3.164 1.00 0.00 C ATOM 318 C SER A 20 26.747 23.488 4.164 1.00 0.00 C ATOM 319 O SER A 20 26.446 22.297 4.239 1.00 0.00 O ATOM 320 CB SER A 20 26.038 23.737 1.788 1.00 0.00 C ATOM 321 OG SER A 20 25.532 22.415 1.904 1.00 0.00 O ATOM 0 H SER A 20 27.603 25.681 2.597 1.00 0.00 H new ATOM 0 HA SER A 20 25.018 24.560 3.511 1.00 0.00 H new ATOM 0 HB2 SER A 20 25.426 24.313 1.094 1.00 0.00 H new ATOM 0 HB3 SER A 20 27.049 23.717 1.381 1.00 0.00 H new ATOM 0 HG SER A 20 25.532 22.146 2.846 1.00 0.00 H new ATOM 327 N ASP A 21 27.679 24.044 4.936 1.00 0.00 N ATOM 328 CA ASP A 21 28.399 23.255 5.922 1.00 0.00 C ATOM 329 C ASP A 21 27.457 22.831 7.043 1.00 0.00 C ATOM 330 O ASP A 21 26.541 23.570 7.407 1.00 0.00 O ATOM 331 CB ASP A 21 29.563 24.084 6.485 1.00 0.00 C ATOM 332 CG ASP A 21 30.768 24.032 5.544 1.00 0.00 C ATOM 333 OD1 ASP A 21 30.789 23.174 4.677 1.00 0.00 O ATOM 334 OD2 ASP A 21 31.659 24.846 5.716 1.00 0.00 O ATOM 0 H ASP A 21 27.948 25.027 4.896 1.00 0.00 H new ATOM 0 HA ASP A 21 28.796 22.357 5.449 1.00 0.00 H new ATOM 0 HB2 ASP A 21 29.247 25.118 6.622 1.00 0.00 H new ATOM 0 HB3 ASP A 21 29.845 23.704 7.467 1.00 0.00 H new ATOM 339 N THR A 22 27.688 21.638 7.590 1.00 0.00 N ATOM 340 CA THR A 22 26.850 21.130 8.672 1.00 0.00 C ATOM 341 C THR A 22 27.411 21.574 10.013 1.00 0.00 C ATOM 342 O THR A 22 28.615 21.782 10.148 1.00 0.00 O ATOM 343 CB THR A 22 26.790 19.601 8.623 1.00 0.00 C ATOM 344 OG1 THR A 22 28.105 19.075 8.719 1.00 0.00 O ATOM 345 CG2 THR A 22 26.151 19.150 7.308 1.00 0.00 C ATOM 0 H THR A 22 28.441 21.012 7.304 1.00 0.00 H new ATOM 0 HA THR A 22 25.843 21.529 8.550 1.00 0.00 H new ATOM 0 HB THR A 22 26.189 19.236 9.456 1.00 0.00 H new ATOM 0 HG1 THR A 22 28.069 18.096 8.690 1.00 0.00 H new ATOM 0 HG21 THR A 22 26.111 18.061 7.278 1.00 0.00 H new ATOM 0 HG22 THR A 22 25.141 19.553 7.238 1.00 0.00 H new ATOM 0 HG23 THR A 22 26.746 19.514 6.471 1.00 0.00 H new ATOM 353 N ILE A 23 26.540 21.715 11.000 1.00 0.00 N ATOM 354 CA ILE A 23 26.985 22.140 12.317 1.00 0.00 C ATOM 355 C ILE A 23 28.121 21.245 12.795 1.00 0.00 C ATOM 356 O ILE A 23 28.912 21.628 13.657 1.00 0.00 O ATOM 357 CB ILE A 23 25.823 22.083 13.312 1.00 0.00 C ATOM 358 CG1 ILE A 23 24.589 22.772 12.715 1.00 0.00 C ATOM 359 CG2 ILE A 23 26.219 22.790 14.608 1.00 0.00 C ATOM 360 CD1 ILE A 23 24.954 24.173 12.208 1.00 0.00 C ATOM 0 H ILE A 23 25.538 21.545 10.917 1.00 0.00 H new ATOM 0 HA ILE A 23 27.343 23.168 12.252 1.00 0.00 H new ATOM 0 HB ILE A 23 25.588 21.040 13.522 1.00 0.00 H new ATOM 0 HG12 ILE A 23 24.191 22.174 11.895 1.00 0.00 H new ATOM 0 HG13 ILE A 23 23.804 22.843 13.468 1.00 0.00 H new ATOM 0 HG21 ILE A 23 25.389 22.747 15.314 1.00 0.00 H new ATOM 0 HG22 ILE A 23 27.089 22.296 15.041 1.00 0.00 H new ATOM 0 HG23 ILE A 23 26.461 23.831 14.395 1.00 0.00 H new ATOM 0 HD11 ILE A 23 24.069 24.650 11.787 1.00 0.00 H new ATOM 0 HD12 ILE A 23 25.330 24.773 13.036 1.00 0.00 H new ATOM 0 HD13 ILE A 23 25.723 24.093 11.440 1.00 0.00 H new ATOM 372 N GLU A 24 28.206 20.058 12.210 1.00 0.00 N ATOM 373 CA GLU A 24 29.256 19.117 12.569 1.00 0.00 C ATOM 374 C GLU A 24 30.584 19.541 11.944 1.00 0.00 C ATOM 375 O GLU A 24 31.576 19.739 12.643 1.00 0.00 O ATOM 376 CB GLU A 24 28.873 17.712 12.096 1.00 0.00 C ATOM 377 CG GLU A 24 29.967 16.719 12.494 1.00 0.00 C ATOM 378 CD GLU A 24 29.513 15.293 12.199 1.00 0.00 C ATOM 379 OE1 GLU A 24 28.496 15.139 11.545 1.00 0.00 O ATOM 380 OE2 GLU A 24 30.192 14.376 12.634 1.00 0.00 O ATOM 0 H GLU A 24 27.565 19.726 11.490 1.00 0.00 H new ATOM 0 HA GLU A 24 29.371 19.109 13.653 1.00 0.00 H new ATOM 0 HB2 GLU A 24 27.921 17.416 12.537 1.00 0.00 H new ATOM 0 HB3 GLU A 24 28.738 17.706 11.014 1.00 0.00 H new ATOM 0 HG2 GLU A 24 30.884 16.938 11.947 1.00 0.00 H new ATOM 0 HG3 GLU A 24 30.196 16.824 13.554 1.00 0.00 H new ATOM 387 N ASN A 25 30.587 19.679 10.624 1.00 0.00 N ATOM 388 CA ASN A 25 31.790 20.083 9.908 1.00 0.00 C ATOM 389 C ASN A 25 32.329 21.398 10.464 1.00 0.00 C ATOM 390 O ASN A 25 33.538 21.573 10.619 1.00 0.00 O ATOM 391 CB ASN A 25 31.465 20.249 8.424 1.00 0.00 C ATOM 392 CG ASN A 25 32.743 20.478 7.624 1.00 0.00 C ATOM 393 OD1 ASN A 25 33.806 19.989 7.998 1.00 0.00 O ATOM 394 ND2 ASN A 25 32.698 21.201 6.538 1.00 0.00 N ATOM 0 H ASN A 25 29.774 19.518 10.030 1.00 0.00 H new ATOM 0 HA ASN A 25 32.551 19.313 10.036 1.00 0.00 H new ATOM 0 HB2 ASN A 25 30.952 19.361 8.056 1.00 0.00 H new ATOM 0 HB3 ASN A 25 30.786 21.090 8.285 1.00 0.00 H new ATOM 0 HD21 ASN A 25 33.547 21.362 5.997 1.00 0.00 H new ATOM 0 HD22 ASN A 25 31.813 21.605 6.231 1.00 0.00 H new ATOM 401 N VAL A 26 31.428 22.329 10.760 1.00 0.00 N ATOM 402 CA VAL A 26 31.840 23.622 11.289 1.00 0.00 C ATOM 403 C VAL A 26 32.483 23.459 12.664 1.00 0.00 C ATOM 404 O VAL A 26 33.490 24.098 12.971 1.00 0.00 O ATOM 405 CB VAL A 26 30.642 24.574 11.374 1.00 0.00 C ATOM 406 CG1 VAL A 26 31.109 25.931 11.896 1.00 0.00 C ATOM 407 CG2 VAL A 26 30.031 24.756 9.981 1.00 0.00 C ATOM 0 H VAL A 26 30.421 22.214 10.644 1.00 0.00 H new ATOM 0 HA VAL A 26 32.577 24.050 10.610 1.00 0.00 H new ATOM 0 HB VAL A 26 29.896 24.155 12.049 1.00 0.00 H new ATOM 0 HG11 VAL A 26 30.258 26.610 11.957 1.00 0.00 H new ATOM 0 HG12 VAL A 26 31.548 25.809 12.886 1.00 0.00 H new ATOM 0 HG13 VAL A 26 31.855 26.345 11.218 1.00 0.00 H new ATOM 0 HG21 VAL A 26 29.179 25.433 10.043 1.00 0.00 H new ATOM 0 HG22 VAL A 26 30.779 25.174 9.307 1.00 0.00 H new ATOM 0 HG23 VAL A 26 29.700 23.790 9.600 1.00 0.00 H new ATOM 417 N LYS A 27 31.907 22.589 13.487 1.00 0.00 N ATOM 418 CA LYS A 27 32.456 22.350 14.816 1.00 0.00 C ATOM 419 C LYS A 27 33.854 21.777 14.677 1.00 0.00 C ATOM 420 O LYS A 27 34.754 22.089 15.455 1.00 0.00 O ATOM 421 CB LYS A 27 31.557 21.378 15.594 1.00 0.00 C ATOM 422 CG LYS A 27 30.365 22.136 16.186 1.00 0.00 C ATOM 423 CD LYS A 27 29.306 21.140 16.672 1.00 0.00 C ATOM 424 CE LYS A 27 28.307 21.854 17.586 1.00 0.00 C ATOM 425 NZ LYS A 27 28.897 22.003 18.947 1.00 0.00 N ATOM 0 H LYS A 27 31.074 22.046 13.262 1.00 0.00 H new ATOM 0 HA LYS A 27 32.501 23.289 15.367 1.00 0.00 H new ATOM 0 HB2 LYS A 27 31.204 20.586 14.933 1.00 0.00 H new ATOM 0 HB3 LYS A 27 32.127 20.899 16.390 1.00 0.00 H new ATOM 0 HG2 LYS A 27 30.696 22.762 17.014 1.00 0.00 H new ATOM 0 HG3 LYS A 27 29.936 22.800 15.436 1.00 0.00 H new ATOM 0 HD2 LYS A 27 28.786 20.703 15.820 1.00 0.00 H new ATOM 0 HD3 LYS A 27 29.783 20.320 17.209 1.00 0.00 H new ATOM 0 HE2 LYS A 27 28.059 22.833 17.176 1.00 0.00 H new ATOM 0 HE3 LYS A 27 27.378 21.286 17.641 1.00 0.00 H new ATOM 0 HZ1 LYS A 27 28.157 22.298 19.616 1.00 0.00 H new ATOM 0 HZ2 LYS A 27 29.298 21.093 19.253 1.00 0.00 H new ATOM 0 HZ3 LYS A 27 29.649 22.722 18.923 1.00 0.00 H new ATOM 439 N ALA A 28 34.019 20.939 13.667 1.00 0.00 N ATOM 440 CA ALA A 28 35.299 20.314 13.398 1.00 0.00 C ATOM 441 C ALA A 28 36.354 21.379 13.113 1.00 0.00 C ATOM 442 O ALA A 28 37.503 21.259 13.537 1.00 0.00 O ATOM 443 CB ALA A 28 35.147 19.377 12.200 1.00 0.00 C ATOM 0 H ALA A 28 33.277 20.676 13.018 1.00 0.00 H new ATOM 0 HA ALA A 28 35.622 19.742 14.268 1.00 0.00 H new ATOM 0 HB1 ALA A 28 36.104 18.900 11.987 1.00 0.00 H new ATOM 0 HB2 ALA A 28 34.404 18.613 12.428 1.00 0.00 H new ATOM 0 HB3 ALA A 28 34.825 19.949 11.330 1.00 0.00 H new ATOM 449 N LYS A 29 35.946 22.433 12.411 1.00 0.00 N ATOM 450 CA LYS A 29 36.860 23.530 12.097 1.00 0.00 C ATOM 451 C LYS A 29 37.285 24.227 13.388 1.00 0.00 C ATOM 452 O LYS A 29 38.456 24.570 13.578 1.00 0.00 O ATOM 453 CB LYS A 29 36.180 24.557 11.179 1.00 0.00 C ATOM 454 CG LYS A 29 35.892 23.936 9.809 1.00 0.00 C ATOM 455 CD LYS A 29 35.174 24.962 8.922 1.00 0.00 C ATOM 456 CE LYS A 29 34.893 24.344 7.552 1.00 0.00 C ATOM 457 NZ LYS A 29 36.176 23.907 6.934 1.00 0.00 N ATOM 0 H LYS A 29 34.999 22.552 12.052 1.00 0.00 H new ATOM 0 HA LYS A 29 37.730 23.117 11.587 1.00 0.00 H new ATOM 0 HB2 LYS A 29 35.251 24.901 11.633 1.00 0.00 H new ATOM 0 HB3 LYS A 29 36.821 25.431 11.062 1.00 0.00 H new ATOM 0 HG2 LYS A 29 36.823 23.621 9.338 1.00 0.00 H new ATOM 0 HG3 LYS A 29 35.275 23.045 9.924 1.00 0.00 H new ATOM 0 HD2 LYS A 29 34.240 25.274 9.391 1.00 0.00 H new ATOM 0 HD3 LYS A 29 35.788 25.855 8.811 1.00 0.00 H new ATOM 0 HE2 LYS A 29 34.218 23.494 7.656 1.00 0.00 H new ATOM 0 HE3 LYS A 29 34.395 25.070 6.909 1.00 0.00 H new ATOM 0 HZ1 LYS A 29 36.158 24.112 5.915 1.00 0.00 H new ATOM 0 HZ2 LYS A 29 36.966 24.419 7.376 1.00 0.00 H new ATOM 0 HZ3 LYS A 29 36.301 22.885 7.079 1.00 0.00 H new ATOM 471 N ILE A 30 36.321 24.413 14.282 1.00 0.00 N ATOM 472 CA ILE A 30 36.584 25.054 15.554 1.00 0.00 C ATOM 473 C ILE A 30 37.504 24.187 16.408 1.00 0.00 C ATOM 474 O ILE A 30 38.485 24.674 16.964 1.00 0.00 O ATOM 475 CB ILE A 30 35.257 25.305 16.276 1.00 0.00 C ATOM 476 CG1 ILE A 30 34.477 26.395 15.528 1.00 0.00 C ATOM 477 CG2 ILE A 30 35.526 25.768 17.710 1.00 0.00 C ATOM 478 CD1 ILE A 30 33.052 26.492 16.081 1.00 0.00 C ATOM 0 H ILE A 30 35.352 24.127 14.145 1.00 0.00 H new ATOM 0 HA ILE A 30 37.085 26.007 15.382 1.00 0.00 H new ATOM 0 HB ILE A 30 34.677 24.383 16.300 1.00 0.00 H new ATOM 0 HG12 ILE A 30 34.983 27.354 15.635 1.00 0.00 H new ATOM 0 HG13 ILE A 30 34.448 26.167 14.463 1.00 0.00 H new ATOM 0 HG21 ILE A 30 34.579 25.945 18.219 1.00 0.00 H new ATOM 0 HG22 ILE A 30 36.085 24.998 18.242 1.00 0.00 H new ATOM 0 HG23 ILE A 30 36.106 26.691 17.692 1.00 0.00 H new ATOM 0 HD11 ILE A 30 32.506 27.268 15.545 1.00 0.00 H new ATOM 0 HD12 ILE A 30 32.545 25.536 15.951 1.00 0.00 H new ATOM 0 HD13 ILE A 30 33.089 26.742 17.141 1.00 0.00 H new ATOM 490 N GLN A 31 37.177 22.904 16.512 1.00 0.00 N ATOM 491 CA GLN A 31 37.986 21.988 17.310 1.00 0.00 C ATOM 492 C GLN A 31 39.418 21.944 16.788 1.00 0.00 C ATOM 493 O GLN A 31 40.373 21.978 17.559 1.00 0.00 O ATOM 494 CB GLN A 31 37.390 20.578 17.263 1.00 0.00 C ATOM 495 CG GLN A 31 38.063 19.706 18.326 1.00 0.00 C ATOM 496 CD GLN A 31 37.624 18.255 18.173 1.00 0.00 C ATOM 497 OE1 GLN A 31 36.897 17.920 17.238 1.00 0.00 O ATOM 498 NE2 GLN A 31 38.024 17.367 19.043 1.00 0.00 N ATOM 0 H GLN A 31 36.368 22.478 16.060 1.00 0.00 H new ATOM 0 HA GLN A 31 37.991 22.348 18.339 1.00 0.00 H new ATOM 0 HB2 GLN A 31 36.315 20.620 17.438 1.00 0.00 H new ATOM 0 HB3 GLN A 31 37.535 20.143 16.274 1.00 0.00 H new ATOM 0 HG2 GLN A 31 39.147 19.777 18.232 1.00 0.00 H new ATOM 0 HG3 GLN A 31 37.805 20.069 19.321 1.00 0.00 H new ATOM 0 HE21 GLN A 31 38.626 17.647 19.817 1.00 0.00 H new ATOM 0 HE22 GLN A 31 37.734 16.394 18.948 1.00 0.00 H new ATOM 507 N ASP A 32 39.554 21.844 15.475 1.00 0.00 N ATOM 508 CA ASP A 32 40.871 21.772 14.857 1.00 0.00 C ATOM 509 C ASP A 32 41.737 22.977 15.228 1.00 0.00 C ATOM 510 O ASP A 32 42.943 22.837 15.430 1.00 0.00 O ATOM 511 CB ASP A 32 40.725 21.699 13.334 1.00 0.00 C ATOM 512 CG ASP A 32 40.071 20.379 12.935 1.00 0.00 C ATOM 513 OD1 ASP A 32 40.058 19.476 13.755 1.00 0.00 O ATOM 514 OD2 ASP A 32 39.592 20.293 11.817 1.00 0.00 O ATOM 0 H ASP A 32 38.774 21.811 14.819 1.00 0.00 H new ATOM 0 HA ASP A 32 41.364 20.874 15.229 1.00 0.00 H new ATOM 0 HB2 ASP A 32 40.123 22.535 12.978 1.00 0.00 H new ATOM 0 HB3 ASP A 32 41.704 21.787 12.862 1.00 0.00 H new ATOM 519 N LYS A 33 41.133 24.165 15.293 1.00 0.00 N ATOM 520 CA LYS A 33 41.894 25.381 15.609 1.00 0.00 C ATOM 521 C LYS A 33 41.997 25.651 17.114 1.00 0.00 C ATOM 522 O LYS A 33 43.031 26.129 17.584 1.00 0.00 O ATOM 523 CB LYS A 33 41.248 26.586 14.921 1.00 0.00 C ATOM 524 CG LYS A 33 41.170 26.336 13.408 1.00 0.00 C ATOM 525 CD LYS A 33 42.534 26.618 12.765 1.00 0.00 C ATOM 526 CE LYS A 33 42.385 26.661 11.246 1.00 0.00 C ATOM 527 NZ LYS A 33 43.664 27.125 10.636 1.00 0.00 N ATOM 0 H LYS A 33 40.136 24.313 15.135 1.00 0.00 H new ATOM 0 HA LYS A 33 42.908 25.224 15.240 1.00 0.00 H new ATOM 0 HB2 LYS A 33 40.249 26.755 15.324 1.00 0.00 H new ATOM 0 HB3 LYS A 33 41.829 27.486 15.121 1.00 0.00 H new ATOM 0 HG2 LYS A 33 40.873 25.305 13.215 1.00 0.00 H new ATOM 0 HG3 LYS A 33 40.408 26.976 12.963 1.00 0.00 H new ATOM 0 HD2 LYS A 33 42.930 27.566 13.129 1.00 0.00 H new ATOM 0 HD3 LYS A 33 43.248 25.845 13.049 1.00 0.00 H new ATOM 0 HE2 LYS A 33 42.126 25.672 10.867 1.00 0.00 H new ATOM 0 HE3 LYS A 33 41.572 27.332 10.968 1.00 0.00 H new ATOM 0 HZ1 LYS A 33 43.564 27.155 9.601 1.00 0.00 H new ATOM 0 HZ2 LYS A 33 43.892 28.076 10.989 1.00 0.00 H new ATOM 0 HZ3 LYS A 33 44.429 26.468 10.891 1.00 0.00 H new ATOM 541 N GLU A 34 40.927 25.384 17.868 1.00 0.00 N ATOM 542 CA GLU A 34 40.936 25.648 19.318 1.00 0.00 C ATOM 543 C GLU A 34 41.195 24.381 20.137 1.00 0.00 C ATOM 544 O GLU A 34 41.440 24.457 21.342 1.00 0.00 O ATOM 545 CB GLU A 34 39.601 26.265 19.742 1.00 0.00 C ATOM 546 CG GLU A 34 39.244 27.418 18.801 1.00 0.00 C ATOM 547 CD GLU A 34 40.292 28.522 18.902 1.00 0.00 C ATOM 548 OE1 GLU A 34 40.568 28.951 20.011 1.00 0.00 O ATOM 549 OE2 GLU A 34 40.801 28.923 17.869 1.00 0.00 O ATOM 0 H GLU A 34 40.056 24.992 17.511 1.00 0.00 H new ATOM 0 HA GLU A 34 41.752 26.343 19.516 1.00 0.00 H new ATOM 0 HB2 GLU A 34 38.816 25.509 19.720 1.00 0.00 H new ATOM 0 HB3 GLU A 34 39.666 26.627 20.768 1.00 0.00 H new ATOM 0 HG2 GLU A 34 39.185 27.055 17.775 1.00 0.00 H new ATOM 0 HG3 GLU A 34 38.261 27.815 19.056 1.00 0.00 H new ATOM 556 N GLY A 35 41.179 23.223 19.487 1.00 0.00 N ATOM 557 CA GLY A 35 41.458 21.964 20.178 1.00 0.00 C ATOM 558 C GLY A 35 40.440 21.652 21.277 1.00 0.00 C ATOM 559 O GLY A 35 40.689 20.799 22.130 1.00 0.00 O ATOM 0 H GLY A 35 40.978 23.127 18.492 1.00 0.00 H new ATOM 0 HA2 GLY A 35 41.464 21.150 19.453 1.00 0.00 H new ATOM 0 HA3 GLY A 35 42.456 22.008 20.615 1.00 0.00 H new ATOM 563 N ILE A 36 39.300 22.338 21.261 1.00 0.00 N ATOM 564 CA ILE A 36 38.265 22.112 22.266 1.00 0.00 C ATOM 565 C ILE A 36 37.202 21.133 21.741 1.00 0.00 C ATOM 566 O ILE A 36 36.475 21.466 20.805 1.00 0.00 O ATOM 567 CB ILE A 36 37.600 23.448 22.603 1.00 0.00 C ATOM 568 CG1 ILE A 36 38.678 24.516 22.822 1.00 0.00 C ATOM 569 CG2 ILE A 36 36.776 23.299 23.879 1.00 0.00 C ATOM 570 CD1 ILE A 36 39.720 24.014 23.827 1.00 0.00 C ATOM 0 H ILE A 36 39.070 23.050 20.568 1.00 0.00 H new ATOM 0 HA ILE A 36 38.724 21.682 23.156 1.00 0.00 H new ATOM 0 HB ILE A 36 36.951 23.746 21.779 1.00 0.00 H new ATOM 0 HG12 ILE A 36 39.161 24.756 21.875 1.00 0.00 H new ATOM 0 HG13 ILE A 36 38.221 25.435 23.189 1.00 0.00 H new ATOM 0 HG21 ILE A 36 36.302 24.251 24.119 1.00 0.00 H new ATOM 0 HG22 ILE A 36 36.009 22.539 23.730 1.00 0.00 H new ATOM 0 HG23 ILE A 36 37.428 23.001 24.700 1.00 0.00 H new ATOM 0 HD11 ILE A 36 40.481 24.780 23.975 1.00 0.00 H new ATOM 0 HD12 ILE A 36 39.233 23.797 24.778 1.00 0.00 H new ATOM 0 HD13 ILE A 36 40.188 23.107 23.444 1.00 0.00 H new ATOM 582 N PRO A 37 37.088 19.941 22.300 1.00 0.00 N ATOM 583 CA PRO A 37 36.077 18.943 21.830 1.00 0.00 C ATOM 584 C PRO A 37 34.691 19.573 21.624 1.00 0.00 C ATOM 585 O PRO A 37 34.321 20.514 22.331 1.00 0.00 O ATOM 586 CB PRO A 37 36.051 17.902 22.958 1.00 0.00 C ATOM 587 CG PRO A 37 37.416 17.957 23.564 1.00 0.00 C ATOM 588 CD PRO A 37 37.892 19.406 23.420 1.00 0.00 C ATOM 0 HA PRO A 37 36.335 18.520 20.859 1.00 0.00 H new ATOM 0 HB2 PRO A 37 35.282 18.136 23.694 1.00 0.00 H new ATOM 0 HB3 PRO A 37 35.830 16.907 22.572 1.00 0.00 H new ATOM 0 HG2 PRO A 37 37.388 17.659 24.612 1.00 0.00 H new ATOM 0 HG3 PRO A 37 38.095 17.272 23.056 1.00 0.00 H new ATOM 0 HD2 PRO A 37 37.726 19.973 24.336 1.00 0.00 H new ATOM 0 HD3 PRO A 37 38.959 19.455 23.204 1.00 0.00 H new ATOM 596 N PRO A 38 33.921 19.083 20.676 1.00 0.00 N ATOM 597 CA PRO A 38 32.560 19.630 20.386 1.00 0.00 C ATOM 598 C PRO A 38 31.552 19.282 21.478 1.00 0.00 C ATOM 599 O PRO A 38 30.480 19.882 21.556 1.00 0.00 O ATOM 600 CB PRO A 38 32.194 18.968 19.054 1.00 0.00 C ATOM 601 CG PRO A 38 32.916 17.669 19.088 1.00 0.00 C ATOM 602 CD PRO A 38 34.246 17.955 19.782 1.00 0.00 C ATOM 0 HA PRO A 38 32.548 20.719 20.344 1.00 0.00 H new ATOM 0 HB2 PRO A 38 31.117 18.824 18.962 1.00 0.00 H new ATOM 0 HB3 PRO A 38 32.508 19.577 18.206 1.00 0.00 H new ATOM 0 HG2 PRO A 38 32.344 16.917 19.632 1.00 0.00 H new ATOM 0 HG3 PRO A 38 33.075 17.282 18.081 1.00 0.00 H new ATOM 0 HD2 PRO A 38 34.604 17.089 20.339 1.00 0.00 H new ATOM 0 HD3 PRO A 38 35.025 18.219 19.067 1.00 0.00 H new ATOM 610 N ASP A 39 31.898 18.311 22.313 1.00 0.00 N ATOM 611 CA ASP A 39 31.009 17.897 23.390 1.00 0.00 C ATOM 612 C ASP A 39 31.068 18.882 24.550 1.00 0.00 C ATOM 613 O ASP A 39 30.209 18.863 25.431 1.00 0.00 O ATOM 614 CB ASP A 39 31.396 16.502 23.881 1.00 0.00 C ATOM 615 CG ASP A 39 31.158 15.474 22.780 1.00 0.00 C ATOM 616 OD1 ASP A 39 30.154 15.589 22.098 1.00 0.00 O ATOM 617 OD2 ASP A 39 31.983 14.588 22.635 1.00 0.00 O ATOM 0 H ASP A 39 32.779 17.800 22.267 1.00 0.00 H new ATOM 0 HA ASP A 39 29.991 17.876 23.002 1.00 0.00 H new ATOM 0 HB2 ASP A 39 32.444 16.491 24.179 1.00 0.00 H new ATOM 0 HB3 ASP A 39 30.811 16.243 24.763 1.00 0.00 H new ATOM 622 N GLN A 40 32.091 19.742 24.556 1.00 0.00 N ATOM 623 CA GLN A 40 32.254 20.727 25.628 1.00 0.00 C ATOM 624 C GLN A 40 31.837 22.116 25.158 1.00 0.00 C ATOM 625 O GLN A 40 31.807 23.059 25.951 1.00 0.00 O ATOM 626 CB GLN A 40 33.719 20.771 26.067 1.00 0.00 C ATOM 627 CG GLN A 40 34.111 19.433 26.696 1.00 0.00 C ATOM 628 CD GLN A 40 35.621 19.374 26.899 1.00 0.00 C ATOM 629 OE1 GLN A 40 36.327 20.468 26.800 1.00 0.00 O flip ATOM 630 NE2 GLN A 40 36.173 18.304 27.154 1.00 0.00 N flip ATOM 0 H GLN A 40 32.813 19.776 23.836 1.00 0.00 H new ATOM 0 HA GLN A 40 31.619 20.430 26.463 1.00 0.00 H new ATOM 0 HB2 GLN A 40 34.359 20.982 25.210 1.00 0.00 H new ATOM 0 HB3 GLN A 40 33.869 21.578 26.784 1.00 0.00 H new ATOM 0 HG2 GLN A 40 33.602 19.308 27.652 1.00 0.00 H new ATOM 0 HG3 GLN A 40 33.790 18.612 26.055 1.00 0.00 H new ATOM 0 HE21 GLN A 40 35.620 17.450 27.231 1.00 0.00 H new ATOM 0 HE22 GLN A 40 37.184 18.271 27.288 1.00 0.00 H new ATOM 639 N GLN A 41 31.545 22.248 23.861 1.00 0.00 N ATOM 640 CA GLN A 41 31.161 23.544 23.292 1.00 0.00 C ATOM 641 C GLN A 41 29.786 23.490 22.639 1.00 0.00 C ATOM 642 O GLN A 41 29.377 22.468 22.087 1.00 0.00 O ATOM 643 CB GLN A 41 32.189 23.970 22.246 1.00 0.00 C ATOM 644 CG GLN A 41 33.548 24.179 22.912 1.00 0.00 C ATOM 645 CD GLN A 41 34.537 24.738 21.896 1.00 0.00 C ATOM 646 OE1 GLN A 41 34.561 24.298 20.747 1.00 0.00 O ATOM 647 NE2 GLN A 41 35.355 25.690 22.250 1.00 0.00 N ATOM 0 H GLN A 41 31.567 21.481 23.189 1.00 0.00 H new ATOM 0 HA GLN A 41 31.125 24.265 24.109 1.00 0.00 H new ATOM 0 HB2 GLN A 41 32.268 23.210 21.469 1.00 0.00 H new ATOM 0 HB3 GLN A 41 31.867 24.891 21.760 1.00 0.00 H new ATOM 0 HG2 GLN A 41 33.450 24.865 23.754 1.00 0.00 H new ATOM 0 HG3 GLN A 41 33.917 23.234 23.312 1.00 0.00 H new ATOM 0 HE21 GLN A 41 35.333 26.053 23.203 1.00 0.00 H new ATOM 0 HE22 GLN A 41 36.017 26.072 21.574 1.00 0.00 H new ATOM 656 N ARG A 42 29.097 24.627 22.685 1.00 0.00 N ATOM 657 CA ARG A 42 27.772 24.775 22.085 1.00 0.00 C ATOM 658 C ARG A 42 27.757 26.056 21.256 1.00 0.00 C ATOM 659 O ARG A 42 28.323 27.069 21.670 1.00 0.00 O ATOM 660 CB ARG A 42 26.696 24.846 23.177 1.00 0.00 C ATOM 661 CG ARG A 42 26.669 23.530 23.985 1.00 0.00 C ATOM 662 CD ARG A 42 25.763 22.503 23.294 1.00 0.00 C ATOM 663 NE ARG A 42 25.837 21.216 23.980 1.00 0.00 N ATOM 664 CZ ARG A 42 25.353 20.109 23.421 1.00 0.00 C ATOM 665 NH1 ARG A 42 25.422 18.970 24.059 1.00 0.00 N ATOM 666 NH2 ARG A 42 24.808 20.158 22.237 1.00 0.00 N ATOM 0 H ARG A 42 29.441 25.473 23.139 1.00 0.00 H new ATOM 0 HA ARG A 42 27.558 23.915 21.451 1.00 0.00 H new ATOM 0 HB2 ARG A 42 26.897 25.686 23.842 1.00 0.00 H new ATOM 0 HB3 ARG A 42 25.720 25.024 22.725 1.00 0.00 H new ATOM 0 HG2 ARG A 42 27.679 23.131 24.078 1.00 0.00 H new ATOM 0 HG3 ARG A 42 26.308 23.722 24.995 1.00 0.00 H new ATOM 0 HD2 ARG A 42 24.734 22.861 23.290 1.00 0.00 H new ATOM 0 HD3 ARG A 42 26.064 22.385 22.253 1.00 0.00 H new ATOM 0 HE ARG A 42 26.267 21.164 24.903 1.00 0.00 H new ATOM 0 HH11 ARG A 42 25.847 18.929 24.985 1.00 0.00 H new ATOM 0 HH12 ARG A 42 25.051 18.122 23.630 1.00 0.00 H new ATOM 0 HH21 ARG A 42 24.752 21.046 21.738 1.00 0.00 H new ATOM 0 HH22 ARG A 42 24.438 19.309 21.810 1.00 0.00 H new ATOM 680 N LEU A 43 27.128 26.019 20.079 1.00 0.00 N ATOM 681 CA LEU A 43 27.073 27.199 19.204 1.00 0.00 C ATOM 682 C LEU A 43 25.649 27.753 19.135 1.00 0.00 C ATOM 683 O LEU A 43 24.699 27.018 18.859 1.00 0.00 O ATOM 684 CB LEU A 43 27.540 26.817 17.796 1.00 0.00 C ATOM 685 CG LEU A 43 28.824 25.981 17.878 1.00 0.00 C ATOM 686 CD1 LEU A 43 29.263 25.585 16.465 1.00 0.00 C ATOM 687 CD2 LEU A 43 29.936 26.799 18.544 1.00 0.00 C ATOM 0 H LEU A 43 26.653 25.195 19.710 1.00 0.00 H new ATOM 0 HA LEU A 43 27.728 27.967 19.615 1.00 0.00 H new ATOM 0 HB2 LEU A 43 26.760 26.252 17.286 1.00 0.00 H new ATOM 0 HB3 LEU A 43 27.719 27.716 17.207 1.00 0.00 H new ATOM 0 HG LEU A 43 28.633 25.086 18.469 1.00 0.00 H new ATOM 0 HD11 LEU A 43 30.175 24.991 16.520 1.00 0.00 H new ATOM 0 HD12 LEU A 43 28.476 24.998 15.991 1.00 0.00 H new ATOM 0 HD13 LEU A 43 29.450 26.483 15.877 1.00 0.00 H new ATOM 0 HD21 LEU A 43 30.845 26.200 18.599 1.00 0.00 H new ATOM 0 HD22 LEU A 43 30.128 27.697 17.957 1.00 0.00 H new ATOM 0 HD23 LEU A 43 29.627 27.082 19.550 1.00 0.00 H new ATOM 699 N ILE A 44 25.504 29.059 19.402 1.00 0.00 N ATOM 700 CA ILE A 44 24.188 29.710 19.384 1.00 0.00 C ATOM 701 C ILE A 44 24.183 30.938 18.472 1.00 0.00 C ATOM 702 O ILE A 44 25.168 31.685 18.389 1.00 0.00 O ATOM 703 CB ILE A 44 23.801 30.128 20.805 1.00 0.00 C ATOM 704 CG1 ILE A 44 24.068 28.954 21.760 1.00 0.00 C ATOM 705 CG2 ILE A 44 22.314 30.503 20.842 1.00 0.00 C ATOM 706 CD1 ILE A 44 23.390 29.201 23.113 1.00 0.00 C ATOM 0 H ILE A 44 26.278 29.682 19.632 1.00 0.00 H new ATOM 0 HA ILE A 44 23.464 28.994 18.995 1.00 0.00 H new ATOM 0 HB ILE A 44 24.392 30.991 21.113 1.00 0.00 H new ATOM 0 HG12 ILE A 44 23.694 28.028 21.322 1.00 0.00 H new ATOM 0 HG13 ILE A 44 25.142 28.829 21.901 1.00 0.00 H new ATOM 0 HG21 ILE A 44 22.039 30.801 21.854 1.00 0.00 H new ATOM 0 HG22 ILE A 44 22.131 31.331 20.158 1.00 0.00 H new ATOM 0 HG23 ILE A 44 21.715 29.644 20.541 1.00 0.00 H new ATOM 0 HD11 ILE A 44 23.588 28.361 23.778 1.00 0.00 H new ATOM 0 HD12 ILE A 44 23.784 30.115 23.556 1.00 0.00 H new ATOM 0 HD13 ILE A 44 22.315 29.303 22.968 1.00 0.00 H new ATOM 718 N PHE A 45 23.054 31.136 17.790 1.00 0.00 N ATOM 719 CA PHE A 45 22.869 32.262 16.876 1.00 0.00 C ATOM 720 C PHE A 45 21.404 32.683 16.908 1.00 0.00 C ATOM 721 O PHE A 45 20.518 31.832 16.968 1.00 0.00 O ATOM 722 CB PHE A 45 23.240 31.846 15.447 1.00 0.00 C ATOM 723 CG PHE A 45 23.201 33.051 14.529 1.00 0.00 C ATOM 724 CD1 PHE A 45 24.344 33.843 14.364 1.00 0.00 C ATOM 725 CD2 PHE A 45 22.026 33.366 13.832 1.00 0.00 C ATOM 726 CE1 PHE A 45 24.311 34.954 13.511 1.00 0.00 C ATOM 727 CE2 PHE A 45 21.993 34.477 12.980 1.00 0.00 C ATOM 728 CZ PHE A 45 23.137 35.269 12.817 1.00 0.00 C ATOM 0 H PHE A 45 22.243 30.520 17.856 1.00 0.00 H new ATOM 0 HA PHE A 45 23.509 33.089 17.184 1.00 0.00 H new ATOM 0 HB2 PHE A 45 24.235 31.402 15.436 1.00 0.00 H new ATOM 0 HB3 PHE A 45 22.547 31.084 15.090 1.00 0.00 H new ATOM 0 HD1 PHE A 45 25.252 33.597 14.895 1.00 0.00 H new ATOM 0 HD2 PHE A 45 21.146 32.752 13.952 1.00 0.00 H new ATOM 0 HE1 PHE A 45 25.191 35.567 13.389 1.00 0.00 H new ATOM 0 HE2 PHE A 45 21.086 34.723 12.449 1.00 0.00 H new ATOM 0 HZ PHE A 45 23.113 36.123 12.156 1.00 0.00 H new ATOM 738 N ALA A 46 21.138 33.983 16.875 1.00 0.00 N ATOM 739 CA ALA A 46 19.757 34.444 16.913 1.00 0.00 C ATOM 740 C ALA A 46 19.044 33.803 18.101 1.00 0.00 C ATOM 741 O ALA A 46 17.880 33.406 18.014 1.00 0.00 O ATOM 742 CB ALA A 46 19.044 34.080 15.607 1.00 0.00 C ATOM 0 H ALA A 46 21.841 34.720 16.823 1.00 0.00 H new ATOM 0 HA ALA A 46 19.739 35.528 17.025 1.00 0.00 H new ATOM 0 HB1 ALA A 46 18.012 34.429 15.646 1.00 0.00 H new ATOM 0 HB2 ALA A 46 19.556 34.553 14.769 1.00 0.00 H new ATOM 0 HB3 ALA A 46 19.056 32.998 15.475 1.00 0.00 H new ATOM 748 N GLY A 47 19.773 33.721 19.208 1.00 0.00 N ATOM 749 CA GLY A 47 19.258 33.156 20.451 1.00 0.00 C ATOM 750 C GLY A 47 18.832 31.690 20.322 1.00 0.00 C ATOM 751 O GLY A 47 18.235 31.147 21.251 1.00 0.00 O ATOM 0 H GLY A 47 20.738 34.044 19.270 1.00 0.00 H new ATOM 0 HA2 GLY A 47 20.023 33.238 21.223 1.00 0.00 H new ATOM 0 HA3 GLY A 47 18.405 33.747 20.784 1.00 0.00 H new ATOM 755 N LYS A 48 19.138 31.040 19.190 1.00 0.00 N ATOM 756 CA LYS A 48 18.762 29.623 19.001 1.00 0.00 C ATOM 757 C LYS A 48 19.988 28.726 18.884 1.00 0.00 C ATOM 758 O LYS A 48 20.989 29.087 18.262 1.00 0.00 O ATOM 759 CB LYS A 48 17.918 29.458 17.739 1.00 0.00 C ATOM 760 CG LYS A 48 17.301 28.057 17.708 1.00 0.00 C ATOM 761 CD LYS A 48 16.292 27.994 16.562 1.00 0.00 C ATOM 762 CE LYS A 48 15.639 26.613 16.514 1.00 0.00 C ATOM 763 NZ LYS A 48 14.703 26.548 15.355 1.00 0.00 N ATOM 0 H LYS A 48 19.635 31.458 18.403 1.00 0.00 H new ATOM 0 HA LYS A 48 18.188 29.326 19.879 1.00 0.00 H new ATOM 0 HB2 LYS A 48 17.132 30.212 17.715 1.00 0.00 H new ATOM 0 HB3 LYS A 48 18.536 29.613 16.854 1.00 0.00 H new ATOM 0 HG2 LYS A 48 18.078 27.305 17.570 1.00 0.00 H new ATOM 0 HG3 LYS A 48 16.810 27.839 18.657 1.00 0.00 H new ATOM 0 HD2 LYS A 48 15.529 28.761 16.696 1.00 0.00 H new ATOM 0 HD3 LYS A 48 16.791 28.202 15.616 1.00 0.00 H new ATOM 0 HE2 LYS A 48 16.403 25.840 16.423 1.00 0.00 H new ATOM 0 HE3 LYS A 48 15.100 26.421 17.442 1.00 0.00 H new ATOM 0 HZ1 LYS A 48 14.258 25.609 15.321 1.00 0.00 H new ATOM 0 HZ2 LYS A 48 13.968 27.276 15.461 1.00 0.00 H new ATOM 0 HZ3 LYS A 48 15.230 26.714 14.474 1.00 0.00 H new ATOM 777 N GLN A 49 19.889 27.538 19.478 1.00 0.00 N ATOM 778 CA GLN A 49 20.968 26.568 19.443 1.00 0.00 C ATOM 779 C GLN A 49 20.948 25.808 18.118 1.00 0.00 C ATOM 780 O GLN A 49 19.896 25.348 17.676 1.00 0.00 O ATOM 781 CB GLN A 49 20.804 25.576 20.598 1.00 0.00 C ATOM 782 CG GLN A 49 21.092 26.274 21.929 1.00 0.00 C ATOM 783 CD GLN A 49 20.676 25.379 23.093 1.00 0.00 C ATOM 784 OE1 GLN A 49 21.517 24.708 23.694 1.00 0.00 O ATOM 785 NE2 GLN A 49 19.421 25.328 23.449 1.00 0.00 N ATOM 0 H GLN A 49 19.064 27.228 19.991 1.00 0.00 H new ATOM 0 HA GLN A 49 21.918 27.093 19.541 1.00 0.00 H new ATOM 0 HB2 GLN A 49 19.792 25.172 20.601 1.00 0.00 H new ATOM 0 HB3 GLN A 49 21.483 24.734 20.465 1.00 0.00 H new ATOM 0 HG2 GLN A 49 22.154 26.509 22.003 1.00 0.00 H new ATOM 0 HG3 GLN A 49 20.552 27.220 21.977 1.00 0.00 H new ATOM 0 HE21 GLN A 49 18.726 25.884 22.950 1.00 0.00 H new ATOM 0 HE22 GLN A 49 19.135 24.732 24.226 1.00 0.00 H new ATOM 794 N LEU A 50 22.107 25.689 17.482 1.00 0.00 N ATOM 795 CA LEU A 50 22.192 24.988 16.203 1.00 0.00 C ATOM 796 C LEU A 50 22.145 23.473 16.408 1.00 0.00 C ATOM 797 O LEU A 50 22.915 22.916 17.192 1.00 0.00 O ATOM 798 CB LEU A 50 23.481 25.381 15.475 1.00 0.00 C ATOM 799 CG LEU A 50 23.670 26.899 15.557 1.00 0.00 C ATOM 800 CD1 LEU A 50 24.975 27.291 14.862 1.00 0.00 C ATOM 801 CD2 LEU A 50 22.495 27.604 14.870 1.00 0.00 C ATOM 0 H LEU A 50 22.992 26.063 17.824 1.00 0.00 H new ATOM 0 HA LEU A 50 21.335 25.277 15.595 1.00 0.00 H new ATOM 0 HB2 LEU A 50 24.334 24.873 15.924 1.00 0.00 H new ATOM 0 HB3 LEU A 50 23.434 25.065 14.433 1.00 0.00 H new ATOM 0 HG LEU A 50 23.710 27.200 16.604 1.00 0.00 H new ATOM 0 HD11 LEU A 50 25.108 28.371 14.921 1.00 0.00 H new ATOM 0 HD12 LEU A 50 25.812 26.795 15.353 1.00 0.00 H new ATOM 0 HD13 LEU A 50 24.936 26.987 13.816 1.00 0.00 H new ATOM 0 HD21 LEU A 50 22.633 28.684 14.930 1.00 0.00 H new ATOM 0 HD22 LEU A 50 22.451 27.302 13.824 1.00 0.00 H new ATOM 0 HD23 LEU A 50 21.565 27.329 15.367 1.00 0.00 H new ATOM 813 N GLU A 51 21.224 22.820 15.701 1.00 0.00 N ATOM 814 CA GLU A 51 21.055 21.370 15.806 1.00 0.00 C ATOM 815 C GLU A 51 22.020 20.621 14.892 1.00 0.00 C ATOM 816 O GLU A 51 22.269 21.018 13.749 1.00 0.00 O ATOM 817 CB GLU A 51 19.612 20.985 15.439 1.00 0.00 C ATOM 818 CG GLU A 51 18.700 21.183 16.650 1.00 0.00 C ATOM 819 CD GLU A 51 17.277 20.750 16.312 1.00 0.00 C ATOM 820 OE1 GLU A 51 17.041 20.399 15.168 1.00 0.00 O ATOM 821 OE2 GLU A 51 16.442 20.779 17.202 1.00 0.00 O ATOM 0 H GLU A 51 20.583 23.272 15.049 1.00 0.00 H new ATOM 0 HA GLU A 51 21.271 21.087 16.836 1.00 0.00 H new ATOM 0 HB2 GLU A 51 19.264 21.596 14.606 1.00 0.00 H new ATOM 0 HB3 GLU A 51 19.575 19.946 15.110 1.00 0.00 H new ATOM 0 HG2 GLU A 51 19.073 20.604 17.495 1.00 0.00 H new ATOM 0 HG3 GLU A 51 18.707 22.230 16.953 1.00 0.00 H new ATOM 828 N ASP A 52 22.540 19.517 15.407 1.00 0.00 N ATOM 829 CA ASP A 52 23.456 18.689 14.650 1.00 0.00 C ATOM 830 C ASP A 52 22.755 18.082 13.436 1.00 0.00 C ATOM 831 O ASP A 52 21.642 17.564 13.546 1.00 0.00 O ATOM 832 CB ASP A 52 23.998 17.569 15.539 1.00 0.00 C ATOM 833 CG ASP A 52 24.535 18.153 16.841 1.00 0.00 C ATOM 834 OD1 ASP A 52 23.747 18.343 17.753 1.00 0.00 O ATOM 835 OD2 ASP A 52 25.728 18.403 16.907 1.00 0.00 O ATOM 0 H ASP A 52 22.341 19.177 16.348 1.00 0.00 H new ATOM 0 HA ASP A 52 24.280 19.313 14.304 1.00 0.00 H new ATOM 0 HB2 ASP A 52 23.209 16.848 15.752 1.00 0.00 H new ATOM 0 HB3 ASP A 52 24.790 17.030 15.018 1.00 0.00 H new ATOM 840 N GLY A 53 23.415 18.138 12.282 1.00 0.00 N ATOM 841 CA GLY A 53 22.853 17.578 11.049 1.00 0.00 C ATOM 842 C GLY A 53 22.224 18.657 10.168 1.00 0.00 C ATOM 843 O GLY A 53 21.850 18.386 9.026 1.00 0.00 O ATOM 0 H GLY A 53 24.336 18.563 12.172 1.00 0.00 H new ATOM 0 HA2 GLY A 53 23.638 17.066 10.492 1.00 0.00 H new ATOM 0 HA3 GLY A 53 22.101 16.830 11.300 1.00 0.00 H new ATOM 847 N ARG A 54 22.118 19.886 10.685 1.00 0.00 N ATOM 848 CA ARG A 54 21.545 20.985 9.898 1.00 0.00 C ATOM 849 C ARG A 54 22.648 21.785 9.205 1.00 0.00 C ATOM 850 O ARG A 54 23.790 21.805 9.656 1.00 0.00 O ATOM 851 CB ARG A 54 20.730 21.914 10.799 1.00 0.00 C ATOM 852 CG ARG A 54 19.491 21.176 11.314 1.00 0.00 C ATOM 853 CD ARG A 54 18.498 22.186 11.888 1.00 0.00 C ATOM 854 NE ARG A 54 17.401 21.495 12.555 1.00 0.00 N ATOM 855 CZ ARG A 54 16.433 20.912 11.857 1.00 0.00 C ATOM 856 NH1 ARG A 54 15.440 20.334 12.474 1.00 0.00 N ATOM 857 NH2 ARG A 54 16.482 20.911 10.552 1.00 0.00 N ATOM 0 H ARG A 54 22.415 20.143 11.626 1.00 0.00 H new ATOM 0 HA ARG A 54 20.892 20.554 9.140 1.00 0.00 H new ATOM 0 HB2 ARG A 54 21.340 22.250 11.638 1.00 0.00 H new ATOM 0 HB3 ARG A 54 20.431 22.804 10.245 1.00 0.00 H new ATOM 0 HG2 ARG A 54 19.027 20.614 10.504 1.00 0.00 H new ATOM 0 HG3 ARG A 54 19.776 20.455 12.080 1.00 0.00 H new ATOM 0 HD2 ARG A 54 19.005 22.844 12.594 1.00 0.00 H new ATOM 0 HD3 ARG A 54 18.107 22.816 11.089 1.00 0.00 H new ATOM 0 HE ARG A 54 17.377 21.459 13.574 1.00 0.00 H new ATOM 0 HH11 ARG A 54 15.406 20.329 13.493 1.00 0.00 H new ATOM 0 HH12 ARG A 54 14.697 19.887 11.937 1.00 0.00 H new ATOM 0 HH21 ARG A 54 17.263 21.357 10.071 1.00 0.00 H new ATOM 0 HH22 ARG A 54 15.740 20.464 10.014 1.00 0.00 H new ATOM 871 N THR A 55 22.293 22.452 8.107 1.00 0.00 N ATOM 872 CA THR A 55 23.251 23.267 7.352 1.00 0.00 C ATOM 873 C THR A 55 23.090 24.736 7.731 1.00 0.00 C ATOM 874 O THR A 55 22.037 25.136 8.220 1.00 0.00 O ATOM 875 CB THR A 55 23.003 23.099 5.849 1.00 0.00 C ATOM 876 OG1 THR A 55 21.648 23.416 5.556 1.00 0.00 O ATOM 877 CG2 THR A 55 23.292 21.653 5.436 1.00 0.00 C ATOM 0 H THR A 55 21.350 22.445 7.719 1.00 0.00 H new ATOM 0 HA THR A 55 24.263 22.940 7.591 1.00 0.00 H new ATOM 0 HB THR A 55 23.662 23.768 5.296 1.00 0.00 H new ATOM 0 HG1 THR A 55 21.228 23.816 6.346 1.00 0.00 H new ATOM 0 HG21 THR A 55 23.114 21.538 4.367 1.00 0.00 H new ATOM 0 HG22 THR A 55 24.331 21.412 5.659 1.00 0.00 H new ATOM 0 HG23 THR A 55 22.636 20.979 5.987 1.00 0.00 H new ATOM 885 N LEU A 56 24.123 25.543 7.500 1.00 0.00 N ATOM 886 CA LEU A 56 24.031 26.960 7.834 1.00 0.00 C ATOM 887 C LEU A 56 22.835 27.592 7.113 1.00 0.00 C ATOM 888 O LEU A 56 22.128 28.411 7.696 1.00 0.00 O ATOM 889 CB LEU A 56 25.345 27.702 7.477 1.00 0.00 C ATOM 890 CG LEU A 56 26.252 27.838 8.717 1.00 0.00 C ATOM 891 CD1 LEU A 56 26.741 26.453 9.155 1.00 0.00 C ATOM 892 CD2 LEU A 56 27.455 28.726 8.373 1.00 0.00 C ATOM 0 H LEU A 56 25.011 25.250 7.094 1.00 0.00 H new ATOM 0 HA LEU A 56 23.880 27.053 8.910 1.00 0.00 H new ATOM 0 HB2 LEU A 56 25.873 27.159 6.693 1.00 0.00 H new ATOM 0 HB3 LEU A 56 25.113 28.690 7.080 1.00 0.00 H new ATOM 0 HG LEU A 56 25.687 28.291 9.532 1.00 0.00 H new ATOM 0 HD11 LEU A 56 27.381 26.554 10.031 1.00 0.00 H new ATOM 0 HD12 LEU A 56 25.884 25.826 9.402 1.00 0.00 H new ATOM 0 HD13 LEU A 56 27.306 25.993 8.344 1.00 0.00 H new ATOM 0 HD21 LEU A 56 28.097 28.823 9.248 1.00 0.00 H new ATOM 0 HD22 LEU A 56 28.019 28.274 7.557 1.00 0.00 H new ATOM 0 HD23 LEU A 56 27.104 29.712 8.069 1.00 0.00 H new ATOM 904 N SER A 57 22.614 27.218 5.848 1.00 0.00 N ATOM 905 CA SER A 57 21.497 27.774 5.088 1.00 0.00 C ATOM 906 C SER A 57 20.229 27.762 5.931 1.00 0.00 C ATOM 907 O SER A 57 19.421 28.689 5.864 1.00 0.00 O ATOM 908 CB SER A 57 21.261 26.966 3.811 1.00 0.00 C ATOM 909 OG SER A 57 20.923 25.629 4.158 1.00 0.00 O ATOM 0 H SER A 57 23.185 26.544 5.338 1.00 0.00 H new ATOM 0 HA SER A 57 21.746 28.801 4.820 1.00 0.00 H new ATOM 0 HB2 SER A 57 20.459 27.416 3.225 1.00 0.00 H new ATOM 0 HB3 SER A 57 22.156 26.978 3.189 1.00 0.00 H new ATOM 0 HG SER A 57 21.662 25.224 4.659 1.00 0.00 H new ATOM 915 N ASP A 58 20.069 26.717 6.736 1.00 0.00 N ATOM 916 CA ASP A 58 18.901 26.613 7.598 1.00 0.00 C ATOM 917 C ASP A 58 18.817 27.857 8.471 1.00 0.00 C ATOM 918 O ASP A 58 17.756 28.463 8.619 1.00 0.00 O ATOM 919 CB ASP A 58 19.013 25.366 8.483 1.00 0.00 C ATOM 920 CG ASP A 58 19.140 24.117 7.618 1.00 0.00 C ATOM 921 OD1 ASP A 58 18.168 23.763 6.972 1.00 0.00 O ATOM 922 OD2 ASP A 58 20.206 23.531 7.614 1.00 0.00 O ATOM 0 H ASP A 58 20.725 25.940 6.809 1.00 0.00 H new ATOM 0 HA ASP A 58 18.003 26.530 6.986 1.00 0.00 H new ATOM 0 HB2 ASP A 58 19.879 25.453 9.139 1.00 0.00 H new ATOM 0 HB3 ASP A 58 18.135 25.286 9.124 1.00 0.00 H new ATOM 927 N TYR A 59 19.966 28.239 9.026 1.00 0.00 N ATOM 928 CA TYR A 59 20.076 29.423 9.876 1.00 0.00 C ATOM 929 C TYR A 59 20.632 30.592 9.064 1.00 0.00 C ATOM 930 O TYR A 59 21.827 30.629 8.814 1.00 0.00 O ATOM 931 CB TYR A 59 21.042 29.122 11.024 1.00 0.00 C ATOM 932 CG TYR A 59 20.543 27.938 11.818 1.00 0.00 C ATOM 933 CD1 TYR A 59 20.889 26.633 11.434 1.00 0.00 C ATOM 934 CD2 TYR A 59 19.741 28.145 12.943 1.00 0.00 C ATOM 935 CE1 TYR A 59 20.429 25.540 12.178 1.00 0.00 C ATOM 936 CE2 TYR A 59 19.280 27.051 13.686 1.00 0.00 C ATOM 937 CZ TYR A 59 19.624 25.750 13.304 1.00 0.00 C ATOM 938 OH TYR A 59 19.169 24.674 14.039 1.00 0.00 O ATOM 0 H TYR A 59 20.845 27.738 8.899 1.00 0.00 H new ATOM 0 HA TYR A 59 19.091 29.682 10.264 1.00 0.00 H new ATOM 0 HB2 TYR A 59 22.036 28.913 10.629 1.00 0.00 H new ATOM 0 HB3 TYR A 59 21.133 29.993 11.672 1.00 0.00 H new ATOM 0 HD1 TYR A 59 21.510 26.472 10.565 1.00 0.00 H new ATOM 0 HD2 TYR A 59 19.476 29.149 13.240 1.00 0.00 H new ATOM 0 HE1 TYR A 59 20.695 24.536 11.884 1.00 0.00 H new ATOM 0 HE2 TYR A 59 18.658 27.212 14.554 1.00 0.00 H new ATOM 0 HH TYR A 59 18.625 24.996 14.788 1.00 0.00 H new ATOM 948 N ASN A 60 19.750 31.492 8.604 1.00 0.00 N ATOM 949 CA ASN A 60 20.154 32.633 7.756 1.00 0.00 C ATOM 950 C ASN A 60 21.366 33.417 8.297 1.00 0.00 C ATOM 951 O ASN A 60 21.261 34.602 8.612 1.00 0.00 O ATOM 952 CB ASN A 60 18.974 33.594 7.568 1.00 0.00 C ATOM 953 CG ASN A 60 17.817 32.881 6.868 1.00 0.00 C ATOM 954 OD1 ASN A 60 17.883 32.618 5.668 1.00 0.00 O ATOM 955 ND2 ASN A 60 16.754 32.550 7.552 1.00 0.00 N ATOM 0 H ASN A 60 18.750 31.455 8.803 1.00 0.00 H new ATOM 0 HA ASN A 60 20.459 32.201 6.803 1.00 0.00 H new ATOM 0 HB2 ASN A 60 18.645 33.971 8.536 1.00 0.00 H new ATOM 0 HB3 ASN A 60 19.288 34.456 6.980 1.00 0.00 H new ATOM 0 HD21 ASN A 60 15.979 32.074 7.091 1.00 0.00 H new ATOM 0 HD22 ASN A 60 16.699 32.768 8.547 1.00 0.00 H new ATOM 962 N ILE A 61 22.511 32.742 8.370 1.00 0.00 N ATOM 963 CA ILE A 61 23.762 33.344 8.829 1.00 0.00 C ATOM 964 C ILE A 61 24.587 33.751 7.604 1.00 0.00 C ATOM 965 O ILE A 61 25.203 32.901 6.969 1.00 0.00 O ATOM 966 CB ILE A 61 24.561 32.319 9.641 1.00 0.00 C ATOM 967 CG1 ILE A 61 23.801 31.949 10.917 1.00 0.00 C ATOM 968 CG2 ILE A 61 25.929 32.899 10.013 1.00 0.00 C ATOM 969 CD1 ILE A 61 24.479 30.740 11.572 1.00 0.00 C ATOM 0 H ILE A 61 22.598 31.759 8.112 1.00 0.00 H new ATOM 0 HA ILE A 61 23.544 34.212 9.451 1.00 0.00 H new ATOM 0 HB ILE A 61 24.700 31.424 9.034 1.00 0.00 H new ATOM 0 HG12 ILE A 61 23.790 32.793 11.606 1.00 0.00 H new ATOM 0 HG13 ILE A 61 22.762 31.716 10.682 1.00 0.00 H new ATOM 0 HG21 ILE A 61 26.491 32.165 10.590 1.00 0.00 H new ATOM 0 HG22 ILE A 61 26.479 33.145 9.105 1.00 0.00 H new ATOM 0 HG23 ILE A 61 25.792 33.801 10.609 1.00 0.00 H new ATOM 0 HD11 ILE A 61 23.943 30.471 12.482 1.00 0.00 H new ATOM 0 HD12 ILE A 61 24.467 29.897 10.881 1.00 0.00 H new ATOM 0 HD13 ILE A 61 25.510 30.991 11.820 1.00 0.00 H new ATOM 981 N GLN A 62 24.581 35.035 7.255 1.00 0.00 N ATOM 982 CA GLN A 62 25.324 35.492 6.075 1.00 0.00 C ATOM 983 C GLN A 62 26.798 35.727 6.380 1.00 0.00 C ATOM 984 O GLN A 62 27.243 35.621 7.523 1.00 0.00 O ATOM 985 CB GLN A 62 24.712 36.774 5.517 1.00 0.00 C ATOM 986 CG GLN A 62 23.228 36.546 5.232 1.00 0.00 C ATOM 987 CD GLN A 62 23.065 35.521 4.118 1.00 0.00 C ATOM 988 OE1 GLN A 62 23.779 35.569 3.116 1.00 0.00 O ATOM 989 NE2 GLN A 62 22.159 34.588 4.232 1.00 0.00 N ATOM 0 H GLN A 62 24.082 35.768 7.759 1.00 0.00 H new ATOM 0 HA GLN A 62 25.254 34.698 5.332 1.00 0.00 H new ATOM 0 HB2 GLN A 62 24.836 37.589 6.230 1.00 0.00 H new ATOM 0 HB3 GLN A 62 25.228 37.069 4.603 1.00 0.00 H new ATOM 0 HG2 GLN A 62 22.725 36.198 6.134 1.00 0.00 H new ATOM 0 HG3 GLN A 62 22.755 37.485 4.945 1.00 0.00 H new ATOM 0 HE21 GLN A 62 21.568 34.550 5.063 1.00 0.00 H new ATOM 0 HE22 GLN A 62 22.042 33.898 3.490 1.00 0.00 H new ATOM 998 N LYS A 63 27.549 36.033 5.324 1.00 0.00 N ATOM 999 CA LYS A 63 28.983 36.263 5.449 1.00 0.00 C ATOM 1000 C LYS A 63 29.297 37.421 6.389 1.00 0.00 C ATOM 1001 O LYS A 63 28.545 38.392 6.490 1.00 0.00 O ATOM 1002 CB LYS A 63 29.614 36.510 4.070 1.00 0.00 C ATOM 1003 CG LYS A 63 29.165 37.852 3.479 1.00 0.00 C ATOM 1004 CD LYS A 63 29.745 37.979 2.064 1.00 0.00 C ATOM 1005 CE LYS A 63 29.357 39.328 1.453 1.00 0.00 C ATOM 1006 NZ LYS A 63 29.945 39.442 0.087 1.00 0.00 N ATOM 0 H LYS A 63 27.187 36.127 4.375 1.00 0.00 H new ATOM 0 HA LYS A 63 29.417 35.362 5.882 1.00 0.00 H new ATOM 0 HB2 LYS A 63 30.700 36.495 4.158 1.00 0.00 H new ATOM 0 HB3 LYS A 63 29.338 35.702 3.392 1.00 0.00 H new ATOM 0 HG2 LYS A 63 28.077 37.908 3.449 1.00 0.00 H new ATOM 0 HG3 LYS A 63 29.509 38.676 4.105 1.00 0.00 H new ATOM 0 HD2 LYS A 63 30.830 37.886 2.098 1.00 0.00 H new ATOM 0 HD3 LYS A 63 29.375 37.168 1.437 1.00 0.00 H new ATOM 0 HE2 LYS A 63 28.272 39.418 1.402 1.00 0.00 H new ATOM 0 HE3 LYS A 63 29.715 40.142 2.084 1.00 0.00 H new ATOM 0 HZ1 LYS A 63 29.682 40.358 -0.329 1.00 0.00 H new ATOM 0 HZ2 LYS A 63 30.981 39.374 0.148 1.00 0.00 H new ATOM 0 HZ3 LYS A 63 29.583 38.673 -0.512 1.00 0.00 H new ATOM 1020 N GLU A 64 30.433 37.295 7.067 1.00 0.00 N ATOM 1021 CA GLU A 64 30.906 38.306 8.007 1.00 0.00 C ATOM 1022 C GLU A 64 29.887 38.581 9.112 1.00 0.00 C ATOM 1023 O GLU A 64 29.349 39.684 9.215 1.00 0.00 O ATOM 1024 CB GLU A 64 31.240 39.594 7.256 1.00 0.00 C ATOM 1025 CG GLU A 64 32.307 39.285 6.201 1.00 0.00 C ATOM 1026 CD GLU A 64 32.699 40.556 5.460 1.00 0.00 C ATOM 1027 OE1 GLU A 64 33.223 41.454 6.098 1.00 0.00 O ATOM 1028 OE2 GLU A 64 32.476 40.611 4.261 1.00 0.00 O ATOM 0 H GLU A 64 31.052 36.489 6.981 1.00 0.00 H new ATOM 0 HA GLU A 64 31.806 37.921 8.488 1.00 0.00 H new ATOM 0 HB2 GLU A 64 30.345 39.998 6.782 1.00 0.00 H new ATOM 0 HB3 GLU A 64 31.603 40.353 7.950 1.00 0.00 H new ATOM 0 HG2 GLU A 64 33.184 38.848 6.678 1.00 0.00 H new ATOM 0 HG3 GLU A 64 31.927 38.546 5.495 1.00 0.00 H new HETATM 1035 N SEP A 65 29.663 37.579 9.965 1.00 0.00 N HETATM 1036 CA SEP A 65 28.746 37.703 11.101 1.00 0.00 C HETATM 1037 CB SEP A 65 27.465 36.905 10.836 1.00 0.00 C HETATM 1038 OG SEP A 65 26.734 37.518 9.776 1.00 0.00 O HETATM 1039 C SEP A 65 29.443 37.161 12.346 1.00 0.00 C HETATM 1040 O SEP A 65 30.404 36.402 12.226 1.00 0.00 O HETATM 1041 P SEP A 65 25.681 38.598 10.080 1.00 0.00 P HETATM 1042 O1P SEP A 65 24.325 37.827 10.221 1.00 0.00 O HETATM 1043 O2P SEP A 65 25.718 39.569 8.851 1.00 0.00 O HETATM 1044 O3P SEP A 65 26.154 39.269 11.415 1.00 0.00 O HETATM 0 HB3 SEP A 65 27.712 35.876 10.574 1.00 0.00 H new HETATM 0 HB2 SEP A 65 26.855 36.866 11.738 1.00 0.00 H new HETATM 0 HA SEP A 65 28.477 38.749 11.245 1.00 0.00 H new ATOM 1049 N THR A 66 28.973 37.532 13.537 1.00 0.00 N ATOM 1050 CA THR A 66 29.592 37.039 14.773 1.00 0.00 C ATOM 1051 C THR A 66 28.758 35.918 15.388 1.00 0.00 C ATOM 1052 O THR A 66 27.560 36.079 15.632 1.00 0.00 O ATOM 1053 CB THR A 66 29.735 38.179 15.783 1.00 0.00 C ATOM 1054 OG1 THR A 66 30.523 39.213 15.211 1.00 0.00 O ATOM 1055 CG2 THR A 66 30.417 37.654 17.048 1.00 0.00 C ATOM 0 H THR A 66 28.181 38.160 13.675 1.00 0.00 H new ATOM 0 HA THR A 66 30.578 36.648 14.524 1.00 0.00 H new ATOM 0 HB THR A 66 28.750 38.570 16.039 1.00 0.00 H new ATOM 0 HG1 THR A 66 30.616 39.947 15.854 1.00 0.00 H new ATOM 0 HG21 THR A 66 30.520 38.465 17.769 1.00 0.00 H new ATOM 0 HG22 THR A 66 29.814 36.857 17.482 1.00 0.00 H new ATOM 0 HG23 THR A 66 31.404 37.266 16.795 1.00 0.00 H new ATOM 1063 N LEU A 67 29.408 34.779 15.640 1.00 0.00 N ATOM 1064 CA LEU A 67 28.739 33.619 16.234 1.00 0.00 C ATOM 1065 C LEU A 67 29.055 33.551 17.724 1.00 0.00 C ATOM 1066 O LEU A 67 30.141 33.949 18.146 1.00 0.00 O ATOM 1067 CB LEU A 67 29.220 32.333 15.543 1.00 0.00 C ATOM 1068 CG LEU A 67 28.376 31.131 16.001 1.00 0.00 C ATOM 1069 CD1 LEU A 67 26.903 31.323 15.580 1.00 0.00 C ATOM 1070 CD2 LEU A 67 28.937 29.848 15.365 1.00 0.00 C ATOM 0 H LEU A 67 30.398 34.635 15.442 1.00 0.00 H new ATOM 0 HA LEU A 67 27.662 33.718 16.099 1.00 0.00 H new ATOM 0 HB2 LEU A 67 29.148 32.445 14.461 1.00 0.00 H new ATOM 0 HB3 LEU A 67 30.270 32.158 15.776 1.00 0.00 H new ATOM 0 HG LEU A 67 28.421 31.052 17.087 1.00 0.00 H new ATOM 0 HD11 LEU A 67 26.316 30.466 15.910 1.00 0.00 H new ATOM 0 HD12 LEU A 67 26.509 32.230 16.038 1.00 0.00 H new ATOM 0 HD13 LEU A 67 26.843 31.408 14.495 1.00 0.00 H new ATOM 0 HD21 LEU A 67 28.343 28.993 15.686 1.00 0.00 H new ATOM 0 HD22 LEU A 67 28.895 29.932 14.279 1.00 0.00 H new ATOM 0 HD23 LEU A 67 29.972 29.709 15.678 1.00 0.00 H new ATOM 1082 N HIS A 68 28.112 33.055 18.532 1.00 0.00 N ATOM 1083 CA HIS A 68 28.336 32.960 19.973 1.00 0.00 C ATOM 1084 C HIS A 68 28.781 31.546 20.353 1.00 0.00 C ATOM 1085 O HIS A 68 28.065 30.576 20.096 1.00 0.00 O ATOM 1086 CB HIS A 68 27.045 33.306 20.723 1.00 0.00 C ATOM 1087 CG HIS A 68 26.772 34.782 20.601 1.00 0.00 C ATOM 1088 ND1 HIS A 68 26.200 35.338 19.467 1.00 0.00 N ATOM 1089 CD2 HIS A 68 26.987 35.831 21.464 1.00 0.00 C ATOM 1090 CE1 HIS A 68 26.093 36.665 19.674 1.00 0.00 C ATOM 1091 NE2 HIS A 68 26.558 37.017 20.875 1.00 0.00 N ATOM 0 H HIS A 68 27.202 32.719 18.217 1.00 0.00 H new ATOM 0 HA HIS A 68 29.120 33.665 20.249 1.00 0.00 H new ATOM 0 HB2 HIS A 68 26.211 32.736 20.314 1.00 0.00 H new ATOM 0 HB3 HIS A 68 27.136 33.028 21.773 1.00 0.00 H new ATOM 0 HD2 HIS A 68 27.422 35.747 22.449 1.00 0.00 H new ATOM 0 HE1 HIS A 68 25.681 37.359 18.956 1.00 0.00 H new ATOM 0 HE2 HIS A 68 26.592 37.955 21.275 1.00 0.00 H new ATOM 1100 N LEU A 69 29.963 31.426 20.971 1.00 0.00 N ATOM 1101 CA LEU A 69 30.482 30.141 21.388 1.00 0.00 C ATOM 1102 C LEU A 69 30.450 30.068 22.899 1.00 0.00 C ATOM 1103 O LEU A 69 31.183 30.773 23.593 1.00 0.00 O ATOM 1104 CB LEU A 69 31.916 29.973 20.881 1.00 0.00 C ATOM 1105 CG LEU A 69 32.495 28.607 21.343 1.00 0.00 C ATOM 1106 CD1 LEU A 69 33.278 27.966 20.194 1.00 0.00 C ATOM 1107 CD2 LEU A 69 33.432 28.808 22.544 1.00 0.00 C ATOM 0 H LEU A 69 30.572 32.215 21.189 1.00 0.00 H new ATOM 0 HA LEU A 69 29.871 29.340 20.972 1.00 0.00 H new ATOM 0 HB2 LEU A 69 31.934 30.034 19.793 1.00 0.00 H new ATOM 0 HB3 LEU A 69 32.539 30.785 21.256 1.00 0.00 H new ATOM 0 HG LEU A 69 31.671 27.956 21.636 1.00 0.00 H new ATOM 0 HD11 LEU A 69 33.683 27.008 20.520 1.00 0.00 H new ATOM 0 HD12 LEU A 69 32.614 27.809 19.344 1.00 0.00 H new ATOM 0 HD13 LEU A 69 34.095 28.624 19.899 1.00 0.00 H new ATOM 0 HD21 LEU A 69 33.832 27.844 22.859 1.00 0.00 H new ATOM 0 HD22 LEU A 69 34.253 29.466 22.259 1.00 0.00 H new ATOM 0 HD23 LEU A 69 32.877 29.257 23.367 1.00 0.00 H new ATOM 1119 N VAL A 70 29.578 29.214 23.395 1.00 0.00 N ATOM 1120 CA VAL A 70 29.408 29.020 24.833 1.00 0.00 C ATOM 1121 C VAL A 70 29.930 27.647 25.228 1.00 0.00 C ATOM 1122 O VAL A 70 29.800 26.681 24.475 1.00 0.00 O ATOM 1123 CB VAL A 70 27.927 29.139 25.195 1.00 0.00 C ATOM 1124 CG1 VAL A 70 27.769 29.160 26.716 1.00 0.00 C ATOM 1125 CG2 VAL A 70 27.367 30.436 24.606 1.00 0.00 C ATOM 0 H VAL A 70 28.966 28.634 22.821 1.00 0.00 H new ATOM 0 HA VAL A 70 29.970 29.784 25.371 1.00 0.00 H new ATOM 0 HB VAL A 70 27.383 28.286 24.789 1.00 0.00 H new ATOM 0 HG11 VAL A 70 26.713 29.245 26.971 1.00 0.00 H new ATOM 0 HG12 VAL A 70 28.171 28.238 27.136 1.00 0.00 H new ATOM 0 HG13 VAL A 70 28.311 30.012 27.126 1.00 0.00 H new ATOM 0 HG21 VAL A 70 26.311 30.525 24.861 1.00 0.00 H new ATOM 0 HG22 VAL A 70 27.913 31.287 25.015 1.00 0.00 H new ATOM 0 HG23 VAL A 70 27.478 30.421 23.522 1.00 0.00 H new ATOM 1135 N LEU A 71 30.538 27.566 26.407 1.00 0.00 N ATOM 1136 CA LEU A 71 31.090 26.304 26.892 1.00 0.00 C ATOM 1137 C LEU A 71 30.090 25.598 27.794 1.00 0.00 C ATOM 1138 O LEU A 71 29.064 26.164 28.176 1.00 0.00 O ATOM 1139 CB LEU A 71 32.393 26.557 27.664 1.00 0.00 C ATOM 1140 CG LEU A 71 32.283 27.876 28.460 1.00 0.00 C ATOM 1141 CD1 LEU A 71 33.115 27.772 29.743 1.00 0.00 C ATOM 1142 CD2 LEU A 71 32.803 29.047 27.607 1.00 0.00 C ATOM 0 H LEU A 71 30.661 28.354 27.042 1.00 0.00 H new ATOM 0 HA LEU A 71 31.301 25.668 26.032 1.00 0.00 H new ATOM 0 HB2 LEU A 71 32.591 25.728 28.343 1.00 0.00 H new ATOM 0 HB3 LEU A 71 33.233 26.609 26.971 1.00 0.00 H new ATOM 0 HG LEU A 71 31.238 28.053 28.715 1.00 0.00 H new ATOM 0 HD11 LEU A 71 33.037 28.703 30.304 1.00 0.00 H new ATOM 0 HD12 LEU A 71 32.742 26.949 30.353 1.00 0.00 H new ATOM 0 HD13 LEU A 71 34.159 27.590 29.486 1.00 0.00 H new ATOM 0 HD21 LEU A 71 32.723 29.974 28.174 1.00 0.00 H new ATOM 0 HD22 LEU A 71 33.846 28.871 27.345 1.00 0.00 H new ATOM 0 HD23 LEU A 71 32.209 29.126 26.697 1.00 0.00 H new ATOM 1154 N ARG A 72 30.404 24.355 28.136 1.00 0.00 N ATOM 1155 CA ARG A 72 29.539 23.570 29.003 1.00 0.00 C ATOM 1156 C ARG A 72 29.868 23.842 30.465 1.00 0.00 C ATOM 1157 O ARG A 72 28.983 24.125 31.272 1.00 0.00 O ATOM 1158 CB ARG A 72 29.712 22.082 28.702 1.00 0.00 C ATOM 1159 CG ARG A 72 28.584 21.286 29.376 1.00 0.00 C ATOM 1160 CD ARG A 72 27.370 21.227 28.445 1.00 0.00 C ATOM 1161 NE ARG A 72 26.322 20.410 29.036 1.00 0.00 N ATOM 1162 CZ ARG A 72 25.656 20.821 30.109 1.00 0.00 C ATOM 1163 NH1 ARG A 72 24.717 20.072 30.618 1.00 0.00 N ATOM 1164 NH2 ARG A 72 25.940 21.972 30.655 1.00 0.00 N ATOM 0 H ARG A 72 31.248 23.872 27.827 1.00 0.00 H new ATOM 0 HA ARG A 72 28.504 23.856 28.816 1.00 0.00 H new ATOM 0 HB2 ARG A 72 29.696 21.914 27.625 1.00 0.00 H new ATOM 0 HB3 ARG A 72 30.681 21.737 29.064 1.00 0.00 H new ATOM 0 HG2 ARG A 72 28.926 20.277 29.609 1.00 0.00 H new ATOM 0 HG3 ARG A 72 28.308 21.755 30.320 1.00 0.00 H new ATOM 0 HD2 ARG A 72 26.995 22.234 28.260 1.00 0.00 H new ATOM 0 HD3 ARG A 72 27.663 20.813 27.480 1.00 0.00 H new ATOM 0 HE ARG A 72 26.095 19.507 28.620 1.00 0.00 H new ATOM 0 HH11 ARG A 72 24.495 19.172 30.192 1.00 0.00 H new ATOM 0 HH12 ARG A 72 24.205 20.386 31.442 1.00 0.00 H new ATOM 0 HH21 ARG A 72 26.675 22.558 30.258 1.00 0.00 H new ATOM 0 HH22 ARG A 72 25.427 22.286 31.479 1.00 0.00 H new ATOM 1178 N LEU A 73 31.149 23.754 30.800 1.00 0.00 N ATOM 1179 CA LEU A 73 31.589 23.993 32.169 1.00 0.00 C ATOM 1180 C LEU A 73 33.080 24.314 32.196 1.00 0.00 C ATOM 1181 O LEU A 73 33.747 24.311 31.160 1.00 0.00 O ATOM 1182 CB LEU A 73 31.307 22.758 33.037 1.00 0.00 C ATOM 1183 CG LEU A 73 32.040 21.524 32.458 1.00 0.00 C ATOM 1184 CD1 LEU A 73 33.318 21.247 33.260 1.00 0.00 C ATOM 1185 CD2 LEU A 73 31.124 20.296 32.533 1.00 0.00 C ATOM 0 H LEU A 73 31.897 23.520 30.147 1.00 0.00 H new ATOM 0 HA LEU A 73 31.037 24.843 32.569 1.00 0.00 H new ATOM 0 HB2 LEU A 73 31.636 22.940 34.060 1.00 0.00 H new ATOM 0 HB3 LEU A 73 30.234 22.568 33.076 1.00 0.00 H new ATOM 0 HG LEU A 73 32.301 21.726 31.419 1.00 0.00 H new ATOM 0 HD11 LEU A 73 33.827 20.377 32.845 1.00 0.00 H new ATOM 0 HD12 LEU A 73 33.977 22.113 33.205 1.00 0.00 H new ATOM 0 HD13 LEU A 73 33.059 21.054 34.301 1.00 0.00 H new ATOM 0 HD21 LEU A 73 31.643 19.429 32.124 1.00 0.00 H new ATOM 0 HD22 LEU A 73 30.858 20.103 33.572 1.00 0.00 H new ATOM 0 HD23 LEU A 73 30.218 20.482 31.955 1.00 0.00 H new ATOM 1197 N ARG A 74 33.596 24.587 33.390 1.00 0.00 N ATOM 1198 CA ARG A 74 35.010 24.911 33.549 1.00 0.00 C ATOM 1199 C ARG A 74 35.466 24.635 34.979 1.00 0.00 C ATOM 1200 O ARG A 74 34.649 24.522 35.891 1.00 0.00 O ATOM 1201 CB ARG A 74 35.246 26.384 33.212 1.00 0.00 C ATOM 1202 CG ARG A 74 34.428 27.262 34.161 1.00 0.00 C ATOM 1203 CD ARG A 74 34.436 28.705 33.655 1.00 0.00 C ATOM 1204 NE ARG A 74 33.627 29.552 34.524 1.00 0.00 N ATOM 1205 CZ ARG A 74 32.304 29.609 34.392 1.00 0.00 C ATOM 1206 NH1 ARG A 74 31.602 30.376 35.180 1.00 0.00 N ATOM 1207 NH2 ARG A 74 31.710 28.899 33.472 1.00 0.00 N ATOM 0 H ARG A 74 33.060 24.591 34.258 1.00 0.00 H new ATOM 0 HA ARG A 74 35.587 24.284 32.869 1.00 0.00 H new ATOM 0 HB2 ARG A 74 36.306 26.623 33.301 1.00 0.00 H new ATOM 0 HB3 ARG A 74 34.960 26.582 32.179 1.00 0.00 H new ATOM 0 HG2 ARG A 74 33.404 26.893 34.223 1.00 0.00 H new ATOM 0 HG3 ARG A 74 34.845 27.216 35.167 1.00 0.00 H new ATOM 0 HD2 ARG A 74 35.459 29.080 33.621 1.00 0.00 H new ATOM 0 HD3 ARG A 74 34.049 28.742 32.637 1.00 0.00 H new ATOM 0 HE ARG A 74 34.083 30.110 35.245 1.00 0.00 H new ATOM 0 HH11 ARG A 74 32.067 30.932 35.897 1.00 0.00 H new ATOM 0 HH12 ARG A 74 30.588 30.420 35.079 1.00 0.00 H new ATOM 0 HH21 ARG A 74 32.260 28.301 32.855 1.00 0.00 H new ATOM 0 HH22 ARG A 74 30.696 28.942 33.370 1.00 0.00 H new ATOM 1221 N GLY A 75 36.778 24.527 35.166 1.00 0.00 N ATOM 1222 CA GLY A 75 37.331 24.264 36.489 1.00 0.00 C ATOM 1223 C GLY A 75 36.782 25.247 37.519 1.00 0.00 C ATOM 1224 O GLY A 75 35.906 24.902 38.312 1.00 0.00 O ATOM 0 H GLY A 75 37.473 24.617 34.424 1.00 0.00 H new ATOM 0 HA2 GLY A 75 37.091 23.244 36.791 1.00 0.00 H new ATOM 0 HA3 GLY A 75 38.418 24.339 36.454 1.00 0.00 H new ATOM 1228 N GLY A 76 37.304 26.470 37.502 1.00 0.00 N ATOM 1229 CA GLY A 76 36.858 27.493 38.440 1.00 0.00 C ATOM 1230 C GLY A 76 37.381 27.207 39.844 1.00 0.00 C ATOM 1231 O GLY A 76 37.537 26.042 40.170 1.00 0.00 O ATOM 1232 OXT GLY A 76 37.620 28.156 40.571 1.00 0.00 O ATOM 0 H GLY A 76 38.031 26.774 36.854 1.00 0.00 H new ATOM 0 HA2 GLY A 76 37.206 28.472 38.110 1.00 0.00 H new ATOM 0 HA3 GLY A 76 35.769 27.530 38.454 1.00 0.00 H new TER 1236 GLY A 76