USER MOD reduce.3.24.130724 H: found=0, std=0, add=570, rem=0, adj=19 USER MOD reduce.3.24.130724 removed 571 hydrogens (0 hets) USER MOD ----------------------------------------------------------------- USER MOD scores for adjustable sidechains, with "set" totals for H,N and Q USER MOD "o" means original, "f" means flipped, "180deg" is methyl default USER MOD "!" flags a clash with an overlap of 0.40A or greater USER MOD flip categories: "K"=keep, "C"=clashes, "X"=uncertain, "F"=flip USER MOD Set 1.1: A 22 THR OG1 : rot 180:sc= 0.539 USER MOD Set 1.2: A 25 ASN :FLIP amide:sc= -0.0806 F(o=-1.6!,f=0.46) USER MOD Set 2.1: A 7 THR OG1 : rot 138:sc= 0.549 USER MOD Set 2.2: A 9 THR OG1 : rot -130:sc= 0.321 USER MOD Single : A 1 MET CE :methyl -169:sc=-0.00321 (180deg=-0.162) USER MOD Single : A 1 MET N :NH3+ 163:sc= 0.854 (180deg=0.049) USER MOD Single : A 2 GLN : amide:sc= 0 X(o=0,f=-0.19) USER MOD Single : A 6 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 11 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 12 THR OG1 : rot 180:sc= 0 USER MOD Single : A 14 THR OG1 : rot -71:sc= 0.623 USER MOD Single : A 20 SER OG : rot -5:sc= 0.923 USER MOD Single : A 27 LYS NZ :NH3+ 149:sc= -7.29! (180deg=-9.93!) USER MOD Single : A 29 LYS NZ :NH3+ -108:sc= 0.326 (180deg=-0.847) USER MOD Single : A 31 GLN :FLIP amide:sc= -0.638 F(o=-2.2!,f=-0.64) USER MOD Single : A 33 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 40 GLN : amide:sc= 0 K(o=0,f=-0.63) USER MOD Single : A 41 GLN : amide:sc= -1.5 X(o=-1.5,f=-1.2) USER MOD Single : A 48 LYS NZ :NH3+ 167:sc= -0.0362 (180deg=-0.319) USER MOD Single : A 49 GLN : amide:sc= -1.74! C(o=-1.7!,f=-2.8!) USER MOD Single : A 55 THR OG1 : rot 12:sc= 0.884 USER MOD Single : A 57 SER OG : rot 180:sc= 0 USER MOD Single : A 59 TYR OH : rot 180:sc= -0.0742 USER MOD Single : A 60 ASN : amide:sc= -0.303 X(o=-0.3,f=-0.17) USER MOD Single : A 62 GLN : amide:sc= 0 X(o=0,f=-0.13) USER MOD Single : A 63 LYS NZ :NH3+ 165:sc= -0.012 (180deg=-0.34) USER MOD Single : A 66 THR OG1 : rot 25:sc= 0.151 USER MOD Single : A 68 HIS : no HE2:sc= 0.0106 K(o=0.011,f=-0.52) USER MOD ----------------------------------------------------------------- ATOM 1 N MET A 1 32.097 31.331 2.097 1.00 0.00 N ATOM 2 CA MET A 1 31.652 32.509 2.891 1.00 0.00 C ATOM 3 C MET A 1 32.495 32.611 4.155 1.00 0.00 C ATOM 4 O MET A 1 32.903 31.599 4.725 1.00 0.00 O ATOM 5 CB MET A 1 30.173 32.351 3.259 1.00 0.00 C ATOM 6 CG MET A 1 29.913 30.933 3.774 1.00 0.00 C ATOM 7 SD MET A 1 28.158 30.756 4.196 1.00 0.00 S ATOM 8 CE MET A 1 28.242 31.407 5.885 1.00 0.00 C ATOM 0 H1 MET A 1 31.364 31.084 1.401 1.00 0.00 H new ATOM 0 H2 MET A 1 32.982 31.561 1.601 1.00 0.00 H new ATOM 0 H3 MET A 1 32.256 30.524 2.733 1.00 0.00 H new ATOM 0 HA MET A 1 31.776 33.417 2.302 1.00 0.00 H new ATOM 0 HB2 MET A 1 29.899 33.080 4.021 1.00 0.00 H new ATOM 0 HB3 MET A 1 29.549 32.551 2.388 1.00 0.00 H new ATOM 0 HG2 MET A 1 30.191 30.202 3.015 1.00 0.00 H new ATOM 0 HG3 MET A 1 30.531 30.734 4.650 1.00 0.00 H new ATOM 0 HE1 MET A 1 27.302 31.208 6.399 1.00 0.00 H new ATOM 0 HE2 MET A 1 29.058 30.923 6.421 1.00 0.00 H new ATOM 0 HE3 MET A 1 28.416 32.482 5.852 1.00 0.00 H new ATOM 20 N GLN A 2 32.757 33.843 4.595 1.00 0.00 N ATOM 21 CA GLN A 2 33.554 34.078 5.796 1.00 0.00 C ATOM 22 C GLN A 2 32.710 34.751 6.875 1.00 0.00 C ATOM 23 O GLN A 2 31.747 35.459 6.577 1.00 0.00 O ATOM 24 CB GLN A 2 34.741 34.980 5.449 1.00 0.00 C ATOM 25 CG GLN A 2 35.687 34.247 4.495 1.00 0.00 C ATOM 26 CD GLN A 2 36.866 35.147 4.136 1.00 0.00 C ATOM 27 OE1 GLN A 2 36.673 36.307 3.768 1.00 0.00 O ATOM 28 NE2 GLN A 2 38.082 34.681 4.220 1.00 0.00 N ATOM 0 H GLN A 2 32.428 34.692 4.136 1.00 0.00 H new ATOM 0 HA GLN A 2 33.910 33.119 6.173 1.00 0.00 H new ATOM 0 HB2 GLN A 2 34.387 35.902 4.988 1.00 0.00 H new ATOM 0 HB3 GLN A 2 35.273 35.262 6.358 1.00 0.00 H new ATOM 0 HG2 GLN A 2 36.048 33.330 4.961 1.00 0.00 H new ATOM 0 HG3 GLN A 2 35.152 33.957 3.591 1.00 0.00 H new ATOM 0 HE21 GLN A 2 38.240 33.721 4.525 1.00 0.00 H new ATOM 0 HE22 GLN A 2 38.874 35.277 3.981 1.00 0.00 H new ATOM 37 N ILE A 3 33.100 34.545 8.127 1.00 0.00 N ATOM 38 CA ILE A 3 32.401 35.157 9.257 1.00 0.00 C ATOM 39 C ILE A 3 33.339 35.285 10.444 1.00 0.00 C ATOM 40 O ILE A 3 34.443 34.744 10.438 1.00 0.00 O ATOM 41 CB ILE A 3 31.152 34.356 9.668 1.00 0.00 C ATOM 42 CG1 ILE A 3 31.517 32.868 9.864 1.00 0.00 C ATOM 43 CG2 ILE A 3 30.061 34.512 8.596 1.00 0.00 C ATOM 44 CD1 ILE A 3 30.260 31.996 9.780 1.00 0.00 C ATOM 0 H ILE A 3 33.894 33.961 8.388 1.00 0.00 H new ATOM 0 HA ILE A 3 32.072 36.146 8.937 1.00 0.00 H new ATOM 0 HB ILE A 3 30.770 34.742 10.613 1.00 0.00 H new ATOM 0 HG12 ILE A 3 32.234 32.559 9.103 1.00 0.00 H new ATOM 0 HG13 ILE A 3 32.000 32.729 10.831 1.00 0.00 H new ATOM 0 HG21 ILE A 3 29.178 33.944 8.890 1.00 0.00 H new ATOM 0 HG22 ILE A 3 29.798 35.565 8.495 1.00 0.00 H new ATOM 0 HG23 ILE A 3 30.432 34.138 7.642 1.00 0.00 H new ATOM 0 HD11 ILE A 3 30.533 30.950 9.920 1.00 0.00 H new ATOM 0 HD12 ILE A 3 29.557 32.295 10.558 1.00 0.00 H new ATOM 0 HD13 ILE A 3 29.795 32.122 8.802 1.00 0.00 H new ATOM 56 N PHE A 4 32.888 36.009 11.460 1.00 0.00 N ATOM 57 CA PHE A 4 33.685 36.219 12.668 1.00 0.00 C ATOM 58 C PHE A 4 33.082 35.458 13.842 1.00 0.00 C ATOM 59 O PHE A 4 31.861 35.398 13.995 1.00 0.00 O ATOM 60 CB PHE A 4 33.720 37.708 13.007 1.00 0.00 C ATOM 61 CG PHE A 4 34.209 38.493 11.814 1.00 0.00 C ATOM 62 CD1 PHE A 4 33.333 38.781 10.760 1.00 0.00 C ATOM 63 CD2 PHE A 4 35.534 38.945 11.766 1.00 0.00 C ATOM 64 CE1 PHE A 4 33.782 39.519 9.658 1.00 0.00 C ATOM 65 CE2 PHE A 4 35.982 39.682 10.664 1.00 0.00 C ATOM 66 CZ PHE A 4 35.107 39.969 9.610 1.00 0.00 C ATOM 0 H PHE A 4 31.974 36.462 11.474 1.00 0.00 H new ATOM 0 HA PHE A 4 34.696 35.854 12.485 1.00 0.00 H new ATOM 0 HB2 PHE A 4 32.725 38.048 13.295 1.00 0.00 H new ATOM 0 HB3 PHE A 4 34.375 37.881 13.861 1.00 0.00 H new ATOM 0 HD1 PHE A 4 32.311 38.434 10.797 1.00 0.00 H new ATOM 0 HD2 PHE A 4 36.210 38.725 12.579 1.00 0.00 H new ATOM 0 HE1 PHE A 4 33.106 39.741 8.845 1.00 0.00 H new ATOM 0 HE2 PHE A 4 37.004 40.030 10.627 1.00 0.00 H new ATOM 0 HZ PHE A 4 35.454 40.538 8.760 1.00 0.00 H new ATOM 76 N VAL A 5 33.948 34.894 14.686 1.00 0.00 N ATOM 77 CA VAL A 5 33.505 34.154 15.863 1.00 0.00 C ATOM 78 C VAL A 5 33.988 34.867 17.114 1.00 0.00 C ATOM 79 O VAL A 5 35.160 35.229 17.230 1.00 0.00 O ATOM 80 CB VAL A 5 34.045 32.721 15.824 1.00 0.00 C ATOM 81 CG1 VAL A 5 33.829 32.040 17.182 1.00 0.00 C ATOM 82 CG2 VAL A 5 33.289 31.937 14.748 1.00 0.00 C ATOM 0 H VAL A 5 34.961 34.937 14.574 1.00 0.00 H new ATOM 0 HA VAL A 5 32.416 34.108 15.872 1.00 0.00 H new ATOM 0 HB VAL A 5 35.111 32.743 15.600 1.00 0.00 H new ATOM 0 HG11 VAL A 5 34.216 31.022 17.144 1.00 0.00 H new ATOM 0 HG12 VAL A 5 34.353 32.599 17.957 1.00 0.00 H new ATOM 0 HG13 VAL A 5 32.764 32.015 17.411 1.00 0.00 H new ATOM 0 HG21 VAL A 5 33.665 30.915 14.711 1.00 0.00 H new ATOM 0 HG22 VAL A 5 32.226 31.924 14.987 1.00 0.00 H new ATOM 0 HG23 VAL A 5 33.437 32.413 13.779 1.00 0.00 H new ATOM 92 N LYS A 6 33.064 35.079 18.033 1.00 0.00 N ATOM 93 CA LYS A 6 33.363 35.773 19.285 1.00 0.00 C ATOM 94 C LYS A 6 33.257 34.818 20.470 1.00 0.00 C ATOM 95 O LYS A 6 32.285 34.072 20.588 1.00 0.00 O ATOM 96 CB LYS A 6 32.357 36.914 19.462 1.00 0.00 C ATOM 97 CG LYS A 6 32.849 37.885 20.531 1.00 0.00 C ATOM 98 CD LYS A 6 31.785 38.965 20.747 1.00 0.00 C ATOM 99 CE LYS A 6 32.302 40.014 21.730 1.00 0.00 C ATOM 100 NZ LYS A 6 31.243 41.037 21.964 1.00 0.00 N ATOM 0 H LYS A 6 32.093 34.781 17.940 1.00 0.00 H new ATOM 0 HA LYS A 6 34.381 36.162 19.245 1.00 0.00 H new ATOM 0 HB2 LYS A 6 32.221 37.440 18.517 1.00 0.00 H new ATOM 0 HB3 LYS A 6 31.385 36.511 19.745 1.00 0.00 H new ATOM 0 HG2 LYS A 6 33.042 37.354 21.463 1.00 0.00 H new ATOM 0 HG3 LYS A 6 33.791 38.340 20.223 1.00 0.00 H new ATOM 0 HD2 LYS A 6 31.535 39.436 19.797 1.00 0.00 H new ATOM 0 HD3 LYS A 6 30.869 38.515 21.130 1.00 0.00 H new ATOM 0 HE2 LYS A 6 32.580 39.540 22.672 1.00 0.00 H new ATOM 0 HE3 LYS A 6 33.200 40.488 21.334 1.00 0.00 H new ATOM 0 HZ1 LYS A 6 31.593 41.752 22.633 1.00 0.00 H new ATOM 0 HZ2 LYS A 6 30.998 41.496 21.063 1.00 0.00 H new ATOM 0 HZ3 LYS A 6 30.398 40.578 22.359 1.00 0.00 H new ATOM 114 N THR A 7 34.261 34.843 21.351 1.00 0.00 N ATOM 115 CA THR A 7 34.258 33.974 22.535 1.00 0.00 C ATOM 116 C THR A 7 33.967 34.794 23.788 1.00 0.00 C ATOM 117 O THR A 7 33.796 36.013 23.726 1.00 0.00 O ATOM 118 CB THR A 7 35.613 33.275 22.687 1.00 0.00 C ATOM 119 OG1 THR A 7 36.568 34.196 23.195 1.00 0.00 O ATOM 120 CG2 THR A 7 36.079 32.749 21.328 1.00 0.00 C ATOM 0 H THR A 7 35.078 35.448 21.270 1.00 0.00 H new ATOM 0 HA THR A 7 33.480 33.221 22.407 1.00 0.00 H new ATOM 0 HB THR A 7 35.511 32.439 23.379 1.00 0.00 H new ATOM 0 HG1 THR A 7 37.114 33.757 23.880 1.00 0.00 H new ATOM 0 HG21 THR A 7 37.043 32.253 21.441 1.00 0.00 H new ATOM 0 HG22 THR A 7 35.348 32.038 20.943 1.00 0.00 H new ATOM 0 HG23 THR A 7 36.179 33.581 20.631 1.00 0.00 H new ATOM 128 N LEU A 8 33.928 34.127 24.935 1.00 0.00 N ATOM 129 CA LEU A 8 33.664 34.821 26.189 1.00 0.00 C ATOM 130 C LEU A 8 34.873 35.661 26.611 1.00 0.00 C ATOM 131 O LEU A 8 34.757 36.546 27.459 1.00 0.00 O ATOM 132 CB LEU A 8 33.326 33.801 27.294 1.00 0.00 C ATOM 133 CG LEU A 8 32.271 32.808 26.777 1.00 0.00 C ATOM 134 CD1 LEU A 8 31.838 31.875 27.913 1.00 0.00 C ATOM 135 CD2 LEU A 8 31.048 33.580 26.258 1.00 0.00 C ATOM 0 H LEU A 8 34.073 33.121 25.023 1.00 0.00 H new ATOM 0 HA LEU A 8 32.815 35.488 26.040 1.00 0.00 H new ATOM 0 HB2 LEU A 8 34.226 33.266 27.596 1.00 0.00 H new ATOM 0 HB3 LEU A 8 32.951 34.318 28.177 1.00 0.00 H new ATOM 0 HG LEU A 8 32.701 32.218 25.968 1.00 0.00 H new ATOM 0 HD11 LEU A 8 31.091 31.173 27.543 1.00 0.00 H new ATOM 0 HD12 LEU A 8 32.703 31.323 28.280 1.00 0.00 H new ATOM 0 HD13 LEU A 8 31.412 32.464 28.725 1.00 0.00 H new ATOM 0 HD21 LEU A 8 30.301 32.875 25.892 1.00 0.00 H new ATOM 0 HD22 LEU A 8 30.622 34.173 27.067 1.00 0.00 H new ATOM 0 HD23 LEU A 8 31.352 34.240 25.446 1.00 0.00 H new ATOM 147 N THR A 9 36.037 35.382 26.026 1.00 0.00 N ATOM 148 CA THR A 9 37.244 36.128 26.370 1.00 0.00 C ATOM 149 C THR A 9 37.402 37.354 25.473 1.00 0.00 C ATOM 150 O THR A 9 38.439 38.015 25.495 1.00 0.00 O ATOM 151 CB THR A 9 38.481 35.235 26.238 1.00 0.00 C ATOM 152 OG1 THR A 9 38.469 34.592 24.973 1.00 0.00 O ATOM 153 CG2 THR A 9 38.474 34.182 27.347 1.00 0.00 C ATOM 0 H THR A 9 36.169 34.656 25.322 1.00 0.00 H new ATOM 0 HA THR A 9 37.148 36.459 27.404 1.00 0.00 H new ATOM 0 HB THR A 9 39.379 35.846 26.326 1.00 0.00 H new ATOM 0 HG1 THR A 9 38.617 33.631 25.093 1.00 0.00 H new ATOM 0 HG21 THR A 9 39.355 33.547 27.252 1.00 0.00 H new ATOM 0 HG22 THR A 9 38.486 34.676 28.318 1.00 0.00 H new ATOM 0 HG23 THR A 9 37.576 33.571 27.263 1.00 0.00 H new ATOM 161 N GLY A 10 36.363 37.666 24.699 1.00 0.00 N ATOM 162 CA GLY A 10 36.408 38.828 23.821 1.00 0.00 C ATOM 163 C GLY A 10 37.367 38.606 22.661 1.00 0.00 C ATOM 164 O GLY A 10 37.865 39.559 22.061 1.00 0.00 O ATOM 0 H GLY A 10 35.492 37.136 24.664 1.00 0.00 H new ATOM 0 HA2 GLY A 10 35.409 39.035 23.436 1.00 0.00 H new ATOM 0 HA3 GLY A 10 36.718 39.705 24.390 1.00 0.00 H new ATOM 168 N LYS A 11 37.609 37.341 22.335 1.00 0.00 N ATOM 169 CA LYS A 11 38.500 37.001 21.226 1.00 0.00 C ATOM 170 C LYS A 11 37.702 36.949 19.932 1.00 0.00 C ATOM 171 O LYS A 11 36.659 36.296 19.867 1.00 0.00 O ATOM 172 CB LYS A 11 39.160 35.640 21.471 1.00 0.00 C ATOM 173 CG LYS A 11 40.256 35.770 22.536 1.00 0.00 C ATOM 174 CD LYS A 11 40.824 34.383 22.854 1.00 0.00 C ATOM 175 CE LYS A 11 42.074 34.522 23.726 1.00 0.00 C ATOM 176 NZ LYS A 11 42.597 33.167 24.062 1.00 0.00 N ATOM 0 H LYS A 11 37.205 36.538 22.817 1.00 0.00 H new ATOM 0 HA LYS A 11 39.276 37.763 21.152 1.00 0.00 H new ATOM 0 HB2 LYS A 11 38.411 34.917 21.795 1.00 0.00 H new ATOM 0 HB3 LYS A 11 39.587 35.262 20.542 1.00 0.00 H new ATOM 0 HG2 LYS A 11 41.049 36.427 22.179 1.00 0.00 H new ATOM 0 HG3 LYS A 11 39.849 36.224 23.439 1.00 0.00 H new ATOM 0 HD2 LYS A 11 40.075 33.783 23.370 1.00 0.00 H new ATOM 0 HD3 LYS A 11 41.070 33.860 21.930 1.00 0.00 H new ATOM 0 HE2 LYS A 11 42.836 35.098 23.200 1.00 0.00 H new ATOM 0 HE3 LYS A 11 41.835 35.068 24.639 1.00 0.00 H new ATOM 0 HZ1 LYS A 11 43.447 33.260 24.655 1.00 0.00 H new ATOM 0 HZ2 LYS A 11 41.870 32.633 24.580 1.00 0.00 H new ATOM 0 HZ3 LYS A 11 42.840 32.661 23.186 1.00 0.00 H new ATOM 190 N THR A 12 38.201 37.622 18.895 1.00 0.00 N ATOM 191 CA THR A 12 37.528 37.637 17.597 1.00 0.00 C ATOM 192 C THR A 12 38.431 37.017 16.547 1.00 0.00 C ATOM 193 O THR A 12 39.573 37.437 16.360 1.00 0.00 O ATOM 194 CB THR A 12 37.189 39.072 17.184 1.00 0.00 C ATOM 195 OG1 THR A 12 36.375 39.671 18.182 1.00 0.00 O ATOM 196 CG2 THR A 12 36.432 39.052 15.849 1.00 0.00 C ATOM 0 H THR A 12 39.066 38.162 18.928 1.00 0.00 H new ATOM 0 HA THR A 12 36.605 37.063 17.679 1.00 0.00 H new ATOM 0 HB THR A 12 38.108 39.647 17.072 1.00 0.00 H new ATOM 0 HG1 THR A 12 36.159 40.590 17.920 1.00 0.00 H new ATOM 0 HG21 THR A 12 36.190 40.073 15.553 1.00 0.00 H new ATOM 0 HG22 THR A 12 37.056 38.591 15.084 1.00 0.00 H new ATOM 0 HG23 THR A 12 35.512 38.478 15.961 1.00 0.00 H new ATOM 204 N ILE A 13 37.909 36.009 15.865 1.00 0.00 N ATOM 205 CA ILE A 13 38.661 35.322 14.819 1.00 0.00 C ATOM 206 C ILE A 13 37.775 35.077 13.612 1.00 0.00 C ATOM 207 O ILE A 13 36.579 34.819 13.748 1.00 0.00 O ATOM 208 CB ILE A 13 39.212 33.998 15.343 1.00 0.00 C ATOM 209 CG1 ILE A 13 38.070 33.176 15.936 1.00 0.00 C ATOM 210 CG2 ILE A 13 40.260 34.272 16.422 1.00 0.00 C ATOM 211 CD1 ILE A 13 38.619 31.861 16.488 1.00 0.00 C ATOM 0 H ILE A 13 36.968 35.646 16.015 1.00 0.00 H new ATOM 0 HA ILE A 13 39.497 35.954 14.520 1.00 0.00 H new ATOM 0 HB ILE A 13 39.673 33.445 14.525 1.00 0.00 H new ATOM 0 HG12 ILE A 13 37.578 33.738 16.730 1.00 0.00 H new ATOM 0 HG13 ILE A 13 37.318 32.976 15.173 1.00 0.00 H new ATOM 0 HG21 ILE A 13 40.653 33.327 16.796 1.00 0.00 H new ATOM 0 HG22 ILE A 13 41.073 34.861 15.998 1.00 0.00 H new ATOM 0 HG23 ILE A 13 39.802 34.824 17.242 1.00 0.00 H new ATOM 0 HD11 ILE A 13 37.803 31.275 16.911 1.00 0.00 H new ATOM 0 HD12 ILE A 13 39.091 31.297 15.683 1.00 0.00 H new ATOM 0 HD13 ILE A 13 39.355 32.071 17.264 1.00 0.00 H new ATOM 223 N THR A 14 38.370 35.159 12.431 1.00 0.00 N ATOM 224 CA THR A 14 37.625 34.937 11.194 1.00 0.00 C ATOM 225 C THR A 14 37.790 33.494 10.729 1.00 0.00 C ATOM 226 O THR A 14 38.885 32.932 10.770 1.00 0.00 O ATOM 227 CB THR A 14 38.103 35.898 10.108 1.00 0.00 C ATOM 228 OG1 THR A 14 38.116 37.218 10.634 1.00 0.00 O ATOM 229 CG2 THR A 14 37.141 35.833 8.915 1.00 0.00 C ATOM 0 H THR A 14 39.358 35.376 12.300 1.00 0.00 H new ATOM 0 HA THR A 14 36.569 35.124 11.386 1.00 0.00 H new ATOM 0 HB THR A 14 39.105 35.621 9.781 1.00 0.00 H new ATOM 0 HG1 THR A 14 37.195 37.530 10.757 1.00 0.00 H new ATOM 0 HG21 THR A 14 37.479 36.518 8.137 1.00 0.00 H new ATOM 0 HG22 THR A 14 37.120 34.817 8.520 1.00 0.00 H new ATOM 0 HG23 THR A 14 36.140 36.117 9.239 1.00 0.00 H new ATOM 237 N LEU A 15 36.679 32.905 10.296 1.00 0.00 N ATOM 238 CA LEU A 15 36.656 31.520 9.826 1.00 0.00 C ATOM 239 C LEU A 15 36.121 31.459 8.394 1.00 0.00 C ATOM 240 O LEU A 15 35.242 32.233 8.012 1.00 0.00 O ATOM 241 CB LEU A 15 35.736 30.699 10.766 1.00 0.00 C ATOM 242 CG LEU A 15 36.539 29.696 11.610 1.00 0.00 C ATOM 243 CD1 LEU A 15 37.482 30.446 12.564 1.00 0.00 C ATOM 244 CD2 LEU A 15 35.561 28.842 12.422 1.00 0.00 C ATOM 0 H LEU A 15 35.772 33.370 10.260 1.00 0.00 H new ATOM 0 HA LEU A 15 37.666 31.109 9.835 1.00 0.00 H new ATOM 0 HB2 LEU A 15 35.191 31.375 11.425 1.00 0.00 H new ATOM 0 HB3 LEU A 15 34.994 30.164 10.173 1.00 0.00 H new ATOM 0 HG LEU A 15 37.135 29.061 10.954 1.00 0.00 H new ATOM 0 HD11 LEU A 15 38.046 29.727 13.158 1.00 0.00 H new ATOM 0 HD12 LEU A 15 38.172 31.060 11.985 1.00 0.00 H new ATOM 0 HD13 LEU A 15 36.897 31.084 13.227 1.00 0.00 H new ATOM 0 HD21 LEU A 15 36.118 28.126 13.026 1.00 0.00 H new ATOM 0 HD22 LEU A 15 34.971 29.486 13.075 1.00 0.00 H new ATOM 0 HD23 LEU A 15 34.897 28.306 11.744 1.00 0.00 H new ATOM 256 N GLU A 16 36.634 30.506 7.618 1.00 0.00 N ATOM 257 CA GLU A 16 36.178 30.310 6.237 1.00 0.00 C ATOM 258 C GLU A 16 35.370 29.021 6.174 1.00 0.00 C ATOM 259 O GLU A 16 35.863 27.956 6.542 1.00 0.00 O ATOM 260 CB GLU A 16 37.366 30.228 5.269 1.00 0.00 C ATOM 261 CG GLU A 16 38.500 29.424 5.905 1.00 0.00 C ATOM 262 CD GLU A 16 39.677 29.335 4.939 1.00 0.00 C ATOM 263 OE1 GLU A 16 39.706 28.399 4.156 1.00 0.00 O ATOM 264 OE2 GLU A 16 40.531 30.203 4.997 1.00 0.00 O ATOM 0 H GLU A 16 37.363 29.858 7.917 1.00 0.00 H new ATOM 0 HA GLU A 16 35.564 31.160 5.939 1.00 0.00 H new ATOM 0 HB2 GLU A 16 37.054 29.759 4.336 1.00 0.00 H new ATOM 0 HB3 GLU A 16 37.714 31.231 5.021 1.00 0.00 H new ATOM 0 HG2 GLU A 16 38.816 29.897 6.835 1.00 0.00 H new ATOM 0 HG3 GLU A 16 38.150 28.423 6.159 1.00 0.00 H new ATOM 271 N VAL A 17 34.123 29.121 5.722 1.00 0.00 N ATOM 272 CA VAL A 17 33.260 27.942 5.642 1.00 0.00 C ATOM 273 C VAL A 17 32.299 28.029 4.463 1.00 0.00 C ATOM 274 O VAL A 17 32.111 29.090 3.868 1.00 0.00 O ATOM 275 CB VAL A 17 32.480 27.769 6.964 1.00 0.00 C ATOM 276 CG1 VAL A 17 33.375 28.134 8.150 1.00 0.00 C ATOM 277 CG2 VAL A 17 31.246 28.673 6.983 1.00 0.00 C ATOM 0 H VAL A 17 33.691 29.991 5.410 1.00 0.00 H new ATOM 0 HA VAL A 17 33.894 27.070 5.483 1.00 0.00 H new ATOM 0 HB VAL A 17 32.167 26.728 7.039 1.00 0.00 H new ATOM 0 HG11 VAL A 17 32.818 28.009 9.078 1.00 0.00 H new ATOM 0 HG12 VAL A 17 34.248 27.482 8.161 1.00 0.00 H new ATOM 0 HG13 VAL A 17 33.697 29.171 8.057 1.00 0.00 H new ATOM 0 HG21 VAL A 17 30.710 28.537 7.922 1.00 0.00 H new ATOM 0 HG22 VAL A 17 31.556 29.714 6.890 1.00 0.00 H new ATOM 0 HG23 VAL A 17 30.592 28.413 6.151 1.00 0.00 H new ATOM 287 N GLU A 18 31.668 26.897 4.158 1.00 0.00 N ATOM 288 CA GLU A 18 30.692 26.822 3.075 1.00 0.00 C ATOM 289 C GLU A 18 29.288 26.974 3.663 1.00 0.00 C ATOM 290 O GLU A 18 29.062 26.623 4.821 1.00 0.00 O ATOM 291 CB GLU A 18 30.815 25.469 2.365 1.00 0.00 C ATOM 292 CG GLU A 18 32.026 25.485 1.431 1.00 0.00 C ATOM 293 CD GLU A 18 32.175 24.130 0.750 1.00 0.00 C ATOM 294 OE1 GLU A 18 32.461 23.168 1.444 1.00 0.00 O ATOM 295 OE2 GLU A 18 31.999 24.073 -0.456 1.00 0.00 O ATOM 0 H GLU A 18 31.817 26.015 4.649 1.00 0.00 H new ATOM 0 HA GLU A 18 30.876 27.618 2.354 1.00 0.00 H new ATOM 0 HB2 GLU A 18 30.921 24.670 3.099 1.00 0.00 H new ATOM 0 HB3 GLU A 18 29.908 25.262 1.797 1.00 0.00 H new ATOM 0 HG2 GLU A 18 31.907 26.267 0.681 1.00 0.00 H new ATOM 0 HG3 GLU A 18 32.928 25.719 1.996 1.00 0.00 H new ATOM 302 N PRO A 19 28.348 27.488 2.912 1.00 0.00 N ATOM 303 CA PRO A 19 26.957 27.679 3.414 1.00 0.00 C ATOM 304 C PRO A 19 26.258 26.343 3.643 1.00 0.00 C ATOM 305 O PRO A 19 25.167 26.291 4.215 1.00 0.00 O ATOM 306 CB PRO A 19 26.276 28.489 2.294 1.00 0.00 C ATOM 307 CG PRO A 19 27.048 28.155 1.059 1.00 0.00 C ATOM 308 CD PRO A 19 28.490 27.934 1.514 1.00 0.00 C ATOM 0 HA PRO A 19 26.923 28.185 4.379 1.00 0.00 H new ATOM 0 HB2 PRO A 19 25.226 28.216 2.190 1.00 0.00 H new ATOM 0 HB3 PRO A 19 26.308 29.558 2.504 1.00 0.00 H new ATOM 0 HG2 PRO A 19 26.649 27.262 0.578 1.00 0.00 H new ATOM 0 HG3 PRO A 19 26.988 28.963 0.330 1.00 0.00 H new ATOM 0 HD2 PRO A 19 28.993 27.184 0.903 1.00 0.00 H new ATOM 0 HD3 PRO A 19 29.078 28.849 1.443 1.00 0.00 H new ATOM 316 N SER A 20 26.886 25.262 3.173 1.00 0.00 N ATOM 317 CA SER A 20 26.312 23.923 3.300 1.00 0.00 C ATOM 318 C SER A 20 27.091 23.075 4.300 1.00 0.00 C ATOM 319 O SER A 20 26.835 21.879 4.432 1.00 0.00 O ATOM 320 CB SER A 20 26.332 23.237 1.933 1.00 0.00 C ATOM 321 OG SER A 20 25.915 21.886 2.080 1.00 0.00 O ATOM 0 H SER A 20 27.790 25.289 2.702 1.00 0.00 H new ATOM 0 HA SER A 20 25.289 24.022 3.663 1.00 0.00 H new ATOM 0 HB2 SER A 20 25.672 23.760 1.241 1.00 0.00 H new ATOM 0 HB3 SER A 20 27.335 23.276 1.508 1.00 0.00 H new ATOM 0 HG SER A 20 25.793 21.683 3.031 1.00 0.00 H new ATOM 327 N ASP A 21 28.033 23.690 5.010 1.00 0.00 N ATOM 328 CA ASP A 21 28.818 22.966 5.996 1.00 0.00 C ATOM 329 C ASP A 21 27.921 22.478 7.126 1.00 0.00 C ATOM 330 O ASP A 21 26.921 23.114 7.454 1.00 0.00 O ATOM 331 CB ASP A 21 29.915 23.890 6.549 1.00 0.00 C ATOM 332 CG ASP A 21 31.108 23.942 5.594 1.00 0.00 C ATOM 333 OD1 ASP A 21 31.216 23.067 4.754 1.00 0.00 O ATOM 334 OD2 ASP A 21 31.904 24.852 5.727 1.00 0.00 O ATOM 0 H ASP A 21 28.267 24.679 4.920 1.00 0.00 H new ATOM 0 HA ASP A 21 29.281 22.099 5.525 1.00 0.00 H new ATOM 0 HB2 ASP A 21 29.514 24.893 6.693 1.00 0.00 H new ATOM 0 HB3 ASP A 21 30.240 23.533 7.526 1.00 0.00 H new ATOM 339 N THR A 22 28.284 21.342 7.720 1.00 0.00 N ATOM 340 CA THR A 22 27.502 20.782 8.819 1.00 0.00 C ATOM 341 C THR A 22 28.032 21.303 10.145 1.00 0.00 C ATOM 342 O THR A 22 29.206 21.649 10.256 1.00 0.00 O ATOM 343 CB THR A 22 27.584 19.254 8.806 1.00 0.00 C ATOM 344 OG1 THR A 22 28.880 18.846 9.219 1.00 0.00 O ATOM 345 CG2 THR A 22 27.309 18.734 7.393 1.00 0.00 C ATOM 0 H THR A 22 29.106 20.797 7.461 1.00 0.00 H new ATOM 0 HA THR A 22 26.462 21.084 8.696 1.00 0.00 H new ATOM 0 HB THR A 22 26.839 18.847 9.490 1.00 0.00 H new ATOM 0 HG1 THR A 22 28.933 17.867 9.212 1.00 0.00 H new ATOM 0 HG21 THR A 22 27.368 17.646 7.388 1.00 0.00 H new ATOM 0 HG22 THR A 22 26.313 19.045 7.078 1.00 0.00 H new ATOM 0 HG23 THR A 22 28.050 19.141 6.705 1.00 0.00 H new ATOM 353 N ILE A 23 27.168 21.358 11.145 1.00 0.00 N ATOM 354 CA ILE A 23 27.583 21.844 12.453 1.00 0.00 C ATOM 355 C ILE A 23 28.793 21.056 12.934 1.00 0.00 C ATOM 356 O ILE A 23 29.558 21.522 13.778 1.00 0.00 O ATOM 357 CB ILE A 23 26.437 21.706 13.457 1.00 0.00 C ATOM 358 CG1 ILE A 23 25.145 22.278 12.860 1.00 0.00 C ATOM 359 CG2 ILE A 23 26.783 22.465 14.738 1.00 0.00 C ATOM 360 CD1 ILE A 23 25.396 23.679 12.289 1.00 0.00 C ATOM 0 H ILE A 23 26.190 21.077 11.080 1.00 0.00 H new ATOM 0 HA ILE A 23 27.851 22.897 12.370 1.00 0.00 H new ATOM 0 HB ILE A 23 26.291 20.650 13.685 1.00 0.00 H new ATOM 0 HG12 ILE A 23 24.777 21.618 12.074 1.00 0.00 H new ATOM 0 HG13 ILE A 23 24.371 22.324 13.627 1.00 0.00 H new ATOM 0 HG21 ILE A 23 25.965 22.366 15.452 1.00 0.00 H new ATOM 0 HG22 ILE A 23 27.695 22.052 15.170 1.00 0.00 H new ATOM 0 HG23 ILE A 23 26.936 23.519 14.506 1.00 0.00 H new ATOM 0 HD11 ILE A 23 24.470 24.072 11.869 1.00 0.00 H new ATOM 0 HD12 ILE A 23 25.743 24.339 13.084 1.00 0.00 H new ATOM 0 HD13 ILE A 23 26.154 23.623 11.508 1.00 0.00 H new ATOM 372 N GLU A 24 28.972 19.869 12.370 1.00 0.00 N ATOM 373 CA GLU A 24 30.106 19.028 12.730 1.00 0.00 C ATOM 374 C GLU A 24 31.374 19.541 12.046 1.00 0.00 C ATOM 375 O GLU A 24 32.385 19.796 12.700 1.00 0.00 O ATOM 376 CB GLU A 24 29.832 17.582 12.312 1.00 0.00 C ATOM 377 CG GLU A 24 28.699 17.010 13.169 1.00 0.00 C ATOM 378 CD GLU A 24 28.437 15.557 12.787 1.00 0.00 C ATOM 379 OE1 GLU A 24 29.283 14.976 12.128 1.00 0.00 O ATOM 380 OE2 GLU A 24 27.393 15.046 13.159 1.00 0.00 O ATOM 0 H GLU A 24 28.352 19.469 11.666 1.00 0.00 H new ATOM 0 HA GLU A 24 30.249 19.064 13.810 1.00 0.00 H new ATOM 0 HB2 GLU A 24 29.560 17.542 11.257 1.00 0.00 H new ATOM 0 HB3 GLU A 24 30.733 16.980 12.432 1.00 0.00 H new ATOM 0 HG2 GLU A 24 28.962 17.075 14.225 1.00 0.00 H new ATOM 0 HG3 GLU A 24 27.793 17.600 13.030 1.00 0.00 H new ATOM 387 N ASN A 25 31.309 19.692 10.726 1.00 0.00 N ATOM 388 CA ASN A 25 32.446 20.176 9.964 1.00 0.00 C ATOM 389 C ASN A 25 32.898 21.541 10.484 1.00 0.00 C ATOM 390 O ASN A 25 34.092 21.805 10.607 1.00 0.00 O ATOM 391 CB ASN A 25 32.052 20.299 8.490 1.00 0.00 C ATOM 392 CG ASN A 25 31.985 18.918 7.847 1.00 0.00 C ATOM 393 OD1 ASN A 25 31.697 17.880 8.582 1.00 0.00 O flip ATOM 394 ND2 ASN A 25 32.201 18.782 6.642 1.00 0.00 N flip ATOM 0 H ASN A 25 30.481 19.486 10.167 1.00 0.00 H new ATOM 0 HA ASN A 25 33.269 19.469 10.072 1.00 0.00 H new ATOM 0 HB2 ASN A 25 31.085 20.796 8.404 1.00 0.00 H new ATOM 0 HB3 ASN A 25 32.777 20.919 7.963 1.00 0.00 H new ATOM 0 HD21 ASN A 25 32.426 19.595 6.069 1.00 0.00 H new ATOM 0 HD22 ASN A 25 32.155 17.856 6.217 1.00 0.00 H new ATOM 401 N VAL A 26 31.936 22.407 10.780 1.00 0.00 N ATOM 402 CA VAL A 26 32.263 23.740 11.270 1.00 0.00 C ATOM 403 C VAL A 26 32.945 23.658 12.633 1.00 0.00 C ATOM 404 O VAL A 26 33.917 24.367 12.895 1.00 0.00 O ATOM 405 CB VAL A 26 30.997 24.604 11.360 1.00 0.00 C ATOM 406 CG1 VAL A 26 31.370 25.999 11.856 1.00 0.00 C ATOM 407 CG2 VAL A 26 30.356 24.719 9.973 1.00 0.00 C ATOM 0 H VAL A 26 30.938 22.215 10.691 1.00 0.00 H new ATOM 0 HA VAL A 26 32.953 24.205 10.565 1.00 0.00 H new ATOM 0 HB VAL A 26 30.292 24.143 12.052 1.00 0.00 H new ATOM 0 HG11 VAL A 26 30.473 26.614 11.921 1.00 0.00 H new ATOM 0 HG12 VAL A 26 31.830 25.924 12.841 1.00 0.00 H new ATOM 0 HG13 VAL A 26 32.074 26.456 11.161 1.00 0.00 H new ATOM 0 HG21 VAL A 26 29.457 25.332 10.037 1.00 0.00 H new ATOM 0 HG22 VAL A 26 31.062 25.181 9.283 1.00 0.00 H new ATOM 0 HG23 VAL A 26 30.092 23.725 9.611 1.00 0.00 H new ATOM 417 N LYS A 27 32.442 22.783 13.494 1.00 0.00 N ATOM 418 CA LYS A 27 33.029 22.623 14.817 1.00 0.00 C ATOM 419 C LYS A 27 34.447 22.108 14.673 1.00 0.00 C ATOM 420 O LYS A 27 35.352 22.510 15.403 1.00 0.00 O ATOM 421 CB LYS A 27 32.192 21.646 15.656 1.00 0.00 C ATOM 422 CG LYS A 27 30.978 22.374 16.244 1.00 0.00 C ATOM 423 CD LYS A 27 30.040 21.360 16.911 1.00 0.00 C ATOM 424 CE LYS A 27 29.003 22.102 17.759 1.00 0.00 C ATOM 425 NZ LYS A 27 28.567 23.334 17.044 1.00 0.00 N ATOM 0 H LYS A 27 31.641 22.181 13.304 1.00 0.00 H new ATOM 0 HA LYS A 27 33.043 23.587 15.326 1.00 0.00 H new ATOM 0 HB2 LYS A 27 31.862 20.811 15.037 1.00 0.00 H new ATOM 0 HB3 LYS A 27 32.800 21.228 16.458 1.00 0.00 H new ATOM 0 HG2 LYS A 27 31.305 23.116 16.973 1.00 0.00 H new ATOM 0 HG3 LYS A 27 30.448 22.911 15.458 1.00 0.00 H new ATOM 0 HD2 LYS A 27 29.541 20.757 16.152 1.00 0.00 H new ATOM 0 HD3 LYS A 27 30.613 20.675 17.536 1.00 0.00 H new ATOM 0 HE2 LYS A 27 28.145 21.457 17.951 1.00 0.00 H new ATOM 0 HE3 LYS A 27 29.429 22.362 18.728 1.00 0.00 H new ATOM 0 HZ1 LYS A 27 27.579 23.547 17.289 1.00 0.00 H new ATOM 0 HZ2 LYS A 27 29.173 24.131 17.325 1.00 0.00 H new ATOM 0 HZ3 LYS A 27 28.644 23.185 16.018 1.00 0.00 H new ATOM 439 N ALA A 28 34.625 21.223 13.707 1.00 0.00 N ATOM 440 CA ALA A 28 35.926 20.643 13.438 1.00 0.00 C ATOM 441 C ALA A 28 36.934 21.741 13.098 1.00 0.00 C ATOM 442 O ALA A 28 38.084 21.693 13.528 1.00 0.00 O ATOM 443 CB ALA A 28 35.797 19.660 12.273 1.00 0.00 C ATOM 0 H ALA A 28 33.880 20.890 13.095 1.00 0.00 H new ATOM 0 HA ALA A 28 36.283 20.116 14.323 1.00 0.00 H new ATOM 0 HB1 ALA A 28 36.770 19.217 12.061 1.00 0.00 H new ATOM 0 HB2 ALA A 28 35.090 18.874 12.537 1.00 0.00 H new ATOM 0 HB3 ALA A 28 35.439 20.188 11.389 1.00 0.00 H new ATOM 449 N LYS A 29 36.477 22.739 12.343 1.00 0.00 N ATOM 450 CA LYS A 29 37.341 23.857 11.968 1.00 0.00 C ATOM 451 C LYS A 29 37.712 24.656 13.216 1.00 0.00 C ATOM 452 O LYS A 29 38.849 25.108 13.371 1.00 0.00 O ATOM 453 CB LYS A 29 36.634 24.782 10.969 1.00 0.00 C ATOM 454 CG LYS A 29 36.420 24.060 9.635 1.00 0.00 C ATOM 455 CD LYS A 29 35.942 25.066 8.580 1.00 0.00 C ATOM 456 CE LYS A 29 35.863 24.377 7.217 1.00 0.00 C ATOM 457 NZ LYS A 29 35.408 25.357 6.192 1.00 0.00 N ATOM 0 H LYS A 29 35.525 22.797 11.982 1.00 0.00 H new ATOM 0 HA LYS A 29 38.239 23.456 11.499 1.00 0.00 H new ATOM 0 HB2 LYS A 29 35.674 25.102 11.375 1.00 0.00 H new ATOM 0 HB3 LYS A 29 37.229 25.682 10.812 1.00 0.00 H new ATOM 0 HG2 LYS A 29 37.348 23.590 9.311 1.00 0.00 H new ATOM 0 HG3 LYS A 29 35.685 23.264 9.754 1.00 0.00 H new ATOM 0 HD2 LYS A 29 34.965 25.462 8.856 1.00 0.00 H new ATOM 0 HD3 LYS A 29 36.627 25.912 8.532 1.00 0.00 H new ATOM 0 HE2 LYS A 29 36.839 23.975 6.944 1.00 0.00 H new ATOM 0 HE3 LYS A 29 35.172 23.535 7.263 1.00 0.00 H new ATOM 0 HZ1 LYS A 29 34.432 25.136 5.910 1.00 0.00 H new ATOM 0 HZ2 LYS A 29 35.445 26.317 6.589 1.00 0.00 H new ATOM 0 HZ3 LYS A 29 36.029 25.303 5.360 1.00 0.00 H new ATOM 471 N ILE A 30 36.739 24.806 14.107 1.00 0.00 N ATOM 472 CA ILE A 30 36.956 25.528 15.342 1.00 0.00 C ATOM 473 C ILE A 30 37.953 24.780 16.225 1.00 0.00 C ATOM 474 O ILE A 30 38.895 25.371 16.746 1.00 0.00 O ATOM 475 CB ILE A 30 35.617 25.699 16.069 1.00 0.00 C ATOM 476 CG1 ILE A 30 34.755 26.708 15.300 1.00 0.00 C ATOM 477 CG2 ILE A 30 35.856 26.210 17.491 1.00 0.00 C ATOM 478 CD1 ILE A 30 33.346 26.758 15.899 1.00 0.00 C ATOM 0 H ILE A 30 35.796 24.436 13.992 1.00 0.00 H new ATOM 0 HA ILE A 30 37.371 26.511 15.119 1.00 0.00 H new ATOM 0 HB ILE A 30 35.106 24.737 16.119 1.00 0.00 H new ATOM 0 HG12 ILE A 30 35.212 27.696 15.343 1.00 0.00 H new ATOM 0 HG13 ILE A 30 34.702 26.426 14.248 1.00 0.00 H new ATOM 0 HG21 ILE A 30 34.900 26.329 18.000 1.00 0.00 H new ATOM 0 HG22 ILE A 30 36.471 25.494 18.036 1.00 0.00 H new ATOM 0 HG23 ILE A 30 36.368 27.172 17.451 1.00 0.00 H new ATOM 0 HD11 ILE A 30 32.741 27.477 15.347 1.00 0.00 H new ATOM 0 HD12 ILE A 30 32.887 25.771 15.833 1.00 0.00 H new ATOM 0 HD13 ILE A 30 33.406 27.061 16.944 1.00 0.00 H new ATOM 490 N GLN A 31 37.735 23.482 16.394 1.00 0.00 N ATOM 491 CA GLN A 31 38.622 22.675 17.227 1.00 0.00 C ATOM 492 C GLN A 31 40.044 22.699 16.678 1.00 0.00 C ATOM 493 O GLN A 31 41.010 22.822 17.430 1.00 0.00 O ATOM 494 CB GLN A 31 38.128 21.228 17.280 1.00 0.00 C ATOM 495 CG GLN A 31 38.886 20.471 18.376 1.00 0.00 C ATOM 496 CD GLN A 31 38.633 18.973 18.251 1.00 0.00 C ATOM 497 OE1 GLN A 31 37.899 18.523 17.271 1.00 0.00 O flip ATOM 498 NE2 GLN A 31 39.119 18.191 19.069 1.00 0.00 N flip ATOM 0 H GLN A 31 36.961 22.969 15.971 1.00 0.00 H new ATOM 0 HA GLN A 31 38.619 23.098 18.232 1.00 0.00 H new ATOM 0 HB2 GLN A 31 37.057 21.205 17.481 1.00 0.00 H new ATOM 0 HB3 GLN A 31 38.282 20.744 16.316 1.00 0.00 H new ATOM 0 HG2 GLN A 31 39.954 20.675 18.297 1.00 0.00 H new ATOM 0 HG3 GLN A 31 38.566 20.821 19.358 1.00 0.00 H new ATOM 0 HE21 GLN A 31 39.693 18.545 19.834 1.00 0.00 H new ATOM 0 HE22 GLN A 31 38.948 17.189 18.981 1.00 0.00 H new ATOM 507 N ASP A 32 40.161 22.558 15.367 1.00 0.00 N ATOM 508 CA ASP A 32 41.468 22.544 14.724 1.00 0.00 C ATOM 509 C ASP A 32 42.265 23.812 15.036 1.00 0.00 C ATOM 510 O ASP A 32 43.476 23.748 15.246 1.00 0.00 O ATOM 511 CB ASP A 32 41.299 22.409 13.208 1.00 0.00 C ATOM 512 CG ASP A 32 42.662 22.242 12.544 1.00 0.00 C ATOM 513 OD1 ASP A 32 43.358 21.300 12.891 1.00 0.00 O ATOM 514 OD2 ASP A 32 42.991 23.057 11.698 1.00 0.00 O ATOM 0 H ASP A 32 39.372 22.452 14.729 1.00 0.00 H new ATOM 0 HA ASP A 32 42.021 21.691 15.116 1.00 0.00 H new ATOM 0 HB2 ASP A 32 40.666 21.551 12.979 1.00 0.00 H new ATOM 0 HB3 ASP A 32 40.797 23.291 12.810 1.00 0.00 H new ATOM 519 N LYS A 33 41.596 24.967 15.043 1.00 0.00 N ATOM 520 CA LYS A 33 42.289 26.235 15.303 1.00 0.00 C ATOM 521 C LYS A 33 42.371 26.578 16.799 1.00 0.00 C ATOM 522 O LYS A 33 43.364 27.153 17.244 1.00 0.00 O ATOM 523 CB LYS A 33 41.578 27.371 14.564 1.00 0.00 C ATOM 524 CG LYS A 33 41.445 27.013 13.081 1.00 0.00 C ATOM 525 CD LYS A 33 42.837 26.920 12.447 1.00 0.00 C ATOM 526 CE LYS A 33 42.727 27.112 10.932 1.00 0.00 C ATOM 527 NZ LYS A 33 44.012 26.726 10.286 1.00 0.00 N ATOM 0 H LYS A 33 40.594 25.053 14.875 1.00 0.00 H new ATOM 0 HA LYS A 33 43.310 26.117 14.941 1.00 0.00 H new ATOM 0 HB2 LYS A 33 40.592 27.540 14.998 1.00 0.00 H new ATOM 0 HB3 LYS A 33 42.139 28.299 14.676 1.00 0.00 H new ATOM 0 HG2 LYS A 33 40.920 26.064 12.971 1.00 0.00 H new ATOM 0 HG3 LYS A 33 40.850 27.767 12.566 1.00 0.00 H new ATOM 0 HD2 LYS A 33 43.493 27.679 12.873 1.00 0.00 H new ATOM 0 HD3 LYS A 33 43.285 25.951 12.669 1.00 0.00 H new ATOM 0 HE2 LYS A 33 41.913 26.505 10.536 1.00 0.00 H new ATOM 0 HE3 LYS A 33 42.491 28.151 10.703 1.00 0.00 H new ATOM 0 HZ1 LYS A 33 43.936 26.857 9.257 1.00 0.00 H new ATOM 0 HZ2 LYS A 33 44.779 27.323 10.655 1.00 0.00 H new ATOM 0 HZ3 LYS A 33 44.219 25.728 10.494 1.00 0.00 H new ATOM 541 N GLU A 34 41.325 26.264 17.567 1.00 0.00 N ATOM 542 CA GLU A 34 41.312 26.594 19.005 1.00 0.00 C ATOM 543 C GLU A 34 41.694 25.399 19.881 1.00 0.00 C ATOM 544 O GLU A 34 41.956 25.561 21.072 1.00 0.00 O ATOM 545 CB GLU A 34 39.922 27.093 19.409 1.00 0.00 C ATOM 546 CG GLU A 34 39.418 28.104 18.376 1.00 0.00 C ATOM 547 CD GLU A 34 38.207 28.854 18.921 1.00 0.00 C ATOM 548 OE1 GLU A 34 37.334 28.206 19.474 1.00 0.00 O ATOM 549 OE2 GLU A 34 38.167 30.063 18.773 1.00 0.00 O ATOM 0 H GLU A 34 40.487 25.790 17.231 1.00 0.00 H new ATOM 0 HA GLU A 34 42.057 27.373 19.164 1.00 0.00 H new ATOM 0 HB2 GLU A 34 39.230 26.254 19.479 1.00 0.00 H new ATOM 0 HB3 GLU A 34 39.963 27.556 20.395 1.00 0.00 H new ATOM 0 HG2 GLU A 34 40.211 28.810 18.130 1.00 0.00 H new ATOM 0 HG3 GLU A 34 39.151 27.590 17.453 1.00 0.00 H new ATOM 556 N GLY A 35 41.766 24.211 19.291 1.00 0.00 N ATOM 557 CA GLY A 35 42.162 23.019 20.041 1.00 0.00 C ATOM 558 C GLY A 35 41.188 22.688 21.175 1.00 0.00 C ATOM 559 O GLY A 35 41.506 21.877 22.047 1.00 0.00 O ATOM 0 H GLY A 35 41.558 24.045 18.306 1.00 0.00 H new ATOM 0 HA2 GLY A 35 42.224 22.170 19.361 1.00 0.00 H new ATOM 0 HA3 GLY A 35 43.159 23.169 20.455 1.00 0.00 H new ATOM 563 N ILE A 36 40.008 23.306 21.165 1.00 0.00 N ATOM 564 CA ILE A 36 39.010 23.052 22.199 1.00 0.00 C ATOM 565 C ILE A 36 38.025 21.961 21.741 1.00 0.00 C ATOM 566 O ILE A 36 37.269 22.177 20.793 1.00 0.00 O ATOM 567 CB ILE A 36 38.242 24.344 22.479 1.00 0.00 C ATOM 568 CG1 ILE A 36 39.232 25.501 22.639 1.00 0.00 C ATOM 569 CG2 ILE A 36 37.434 24.191 23.764 1.00 0.00 C ATOM 570 CD1 ILE A 36 40.310 25.131 23.664 1.00 0.00 C ATOM 0 H ILE A 36 39.722 23.982 20.457 1.00 0.00 H new ATOM 0 HA ILE A 36 39.514 22.711 23.103 1.00 0.00 H new ATOM 0 HB ILE A 36 37.568 24.550 21.648 1.00 0.00 H new ATOM 0 HG12 ILE A 36 39.695 25.730 21.679 1.00 0.00 H new ATOM 0 HG13 ILE A 36 38.705 26.399 22.961 1.00 0.00 H new ATOM 0 HG21 ILE A 36 36.887 25.113 23.962 1.00 0.00 H new ATOM 0 HG22 ILE A 36 36.729 23.367 23.654 1.00 0.00 H new ATOM 0 HG23 ILE A 36 38.108 23.983 24.595 1.00 0.00 H new ATOM 0 HD11 ILE A 36 41.010 25.960 23.771 1.00 0.00 H new ATOM 0 HD12 ILE A 36 39.842 24.925 24.626 1.00 0.00 H new ATOM 0 HD13 ILE A 36 40.846 24.245 23.324 1.00 0.00 H new ATOM 582 N PRO A 37 38.003 20.799 22.374 1.00 0.00 N ATOM 583 CA PRO A 37 37.073 19.698 21.973 1.00 0.00 C ATOM 584 C PRO A 37 35.651 20.211 21.701 1.00 0.00 C ATOM 585 O PRO A 37 35.178 21.126 22.376 1.00 0.00 O ATOM 586 CB PRO A 37 37.102 18.747 23.178 1.00 0.00 C ATOM 587 CG PRO A 37 38.458 18.936 23.779 1.00 0.00 C ATOM 588 CD PRO A 37 38.844 20.398 23.523 1.00 0.00 C ATOM 0 HA PRO A 37 37.376 19.219 21.042 1.00 0.00 H new ATOM 0 HB2 PRO A 37 36.315 18.989 23.892 1.00 0.00 H new ATOM 0 HB3 PRO A 37 36.946 17.713 22.870 1.00 0.00 H new ATOM 0 HG2 PRO A 37 38.443 18.719 24.847 1.00 0.00 H new ATOM 0 HG3 PRO A 37 39.182 18.258 23.326 1.00 0.00 H new ATOM 0 HD2 PRO A 37 38.648 21.020 24.396 1.00 0.00 H new ATOM 0 HD3 PRO A 37 39.905 20.496 23.293 1.00 0.00 H new ATOM 596 N PRO A 38 34.964 19.649 20.732 1.00 0.00 N ATOM 597 CA PRO A 38 33.579 20.080 20.374 1.00 0.00 C ATOM 598 C PRO A 38 32.556 19.702 21.442 1.00 0.00 C ATOM 599 O PRO A 38 31.463 20.266 21.496 1.00 0.00 O ATOM 600 CB PRO A 38 33.309 19.344 19.055 1.00 0.00 C ATOM 601 CG PRO A 38 34.141 18.116 19.151 1.00 0.00 C ATOM 602 CD PRO A 38 35.415 18.537 19.876 1.00 0.00 C ATOM 0 HA PRO A 38 33.493 21.163 20.289 1.00 0.00 H new ATOM 0 HB2 PRO A 38 32.252 19.102 18.942 1.00 0.00 H new ATOM 0 HB3 PRO A 38 33.591 19.951 18.194 1.00 0.00 H new ATOM 0 HG2 PRO A 38 33.619 17.331 19.699 1.00 0.00 H new ATOM 0 HG3 PRO A 38 34.367 17.718 18.162 1.00 0.00 H new ATOM 0 HD2 PRO A 38 35.832 17.720 20.464 1.00 0.00 H new ATOM 0 HD3 PRO A 38 36.189 18.855 19.178 1.00 0.00 H new ATOM 610 N ASP A 39 32.916 18.746 22.291 1.00 0.00 N ATOM 611 CA ASP A 39 32.017 18.305 23.345 1.00 0.00 C ATOM 612 C ASP A 39 31.938 19.343 24.458 1.00 0.00 C ATOM 613 O ASP A 39 31.044 19.287 25.303 1.00 0.00 O ATOM 614 CB ASP A 39 32.498 16.971 23.919 1.00 0.00 C ATOM 615 CG ASP A 39 32.597 15.930 22.809 1.00 0.00 C ATOM 616 OD1 ASP A 39 31.635 15.785 22.072 1.00 0.00 O ATOM 617 OD2 ASP A 39 33.633 15.292 22.713 1.00 0.00 O ATOM 0 H ASP A 39 33.816 18.267 22.269 1.00 0.00 H new ATOM 0 HA ASP A 39 31.023 18.178 22.916 1.00 0.00 H new ATOM 0 HB2 ASP A 39 33.470 17.100 24.395 1.00 0.00 H new ATOM 0 HB3 ASP A 39 31.808 16.628 24.690 1.00 0.00 H new ATOM 622 N GLN A 40 32.883 20.285 24.468 1.00 0.00 N ATOM 623 CA GLN A 40 32.915 21.326 25.497 1.00 0.00 C ATOM 624 C GLN A 40 32.450 22.662 24.932 1.00 0.00 C ATOM 625 O GLN A 40 32.334 23.644 25.667 1.00 0.00 O ATOM 626 CB GLN A 40 34.343 21.483 26.028 1.00 0.00 C ATOM 627 CG GLN A 40 34.802 20.171 26.668 1.00 0.00 C ATOM 628 CD GLN A 40 36.242 20.304 27.152 1.00 0.00 C ATOM 629 OE1 GLN A 40 37.093 20.829 26.434 1.00 0.00 O ATOM 630 NE2 GLN A 40 36.566 19.859 28.335 1.00 0.00 N ATOM 0 H GLN A 40 33.633 20.349 23.779 1.00 0.00 H new ATOM 0 HA GLN A 40 32.244 21.028 26.303 1.00 0.00 H new ATOM 0 HB2 GLN A 40 35.016 21.757 25.215 1.00 0.00 H new ATOM 0 HB3 GLN A 40 34.382 22.289 26.760 1.00 0.00 H new ATOM 0 HG2 GLN A 40 34.150 19.917 27.504 1.00 0.00 H new ATOM 0 HG3 GLN A 40 34.726 19.358 25.946 1.00 0.00 H new ATOM 0 HE21 GLN A 40 35.859 19.424 28.928 1.00 0.00 H new ATOM 0 HE22 GLN A 40 37.527 19.946 28.667 1.00 0.00 H new ATOM 639 N GLN A 41 32.214 22.708 23.619 1.00 0.00 N ATOM 640 CA GLN A 41 31.791 23.949 22.959 1.00 0.00 C ATOM 641 C GLN A 41 30.378 23.843 22.398 1.00 0.00 C ATOM 642 O GLN A 41 29.971 22.802 21.883 1.00 0.00 O ATOM 643 CB GLN A 41 32.749 24.275 21.814 1.00 0.00 C ATOM 644 CG GLN A 41 34.074 24.783 22.379 1.00 0.00 C ATOM 645 CD GLN A 41 35.047 25.057 21.238 1.00 0.00 C ATOM 646 OE1 GLN A 41 35.342 24.163 20.446 1.00 0.00 O ATOM 647 NE2 GLN A 41 35.558 26.250 21.100 1.00 0.00 N ATOM 0 H GLN A 41 32.307 21.907 22.994 1.00 0.00 H new ATOM 0 HA GLN A 41 31.805 24.739 23.710 1.00 0.00 H new ATOM 0 HB2 GLN A 41 32.919 23.387 21.205 1.00 0.00 H new ATOM 0 HB3 GLN A 41 32.308 25.029 21.162 1.00 0.00 H new ATOM 0 HG2 GLN A 41 33.909 25.693 22.956 1.00 0.00 H new ATOM 0 HG3 GLN A 41 34.497 24.045 23.061 1.00 0.00 H new ATOM 0 HE21 GLN A 41 35.312 26.990 21.758 1.00 0.00 H new ATOM 0 HE22 GLN A 41 36.204 26.443 20.334 1.00 0.00 H new ATOM 656 N ARG A 42 29.651 24.953 22.491 1.00 0.00 N ATOM 657 CA ARG A 42 28.282 25.046 21.985 1.00 0.00 C ATOM 658 C ARG A 42 28.164 26.317 21.150 1.00 0.00 C ATOM 659 O ARG A 42 28.690 27.361 21.537 1.00 0.00 O ATOM 660 CB ARG A 42 27.284 25.091 23.151 1.00 0.00 C ATOM 661 CG ARG A 42 27.383 23.795 23.990 1.00 0.00 C ATOM 662 CD ARG A 42 26.527 22.691 23.359 1.00 0.00 C ATOM 663 NE ARG A 42 25.131 23.109 23.278 1.00 0.00 N ATOM 664 CZ ARG A 42 24.225 22.372 22.639 1.00 0.00 C ATOM 665 NH1 ARG A 42 22.983 22.773 22.573 1.00 0.00 N ATOM 666 NH2 ARG A 42 24.575 21.247 22.080 1.00 0.00 N ATOM 0 H ARG A 42 29.993 25.814 22.919 1.00 0.00 H new ATOM 0 HA ARG A 42 28.054 24.172 21.375 1.00 0.00 H new ATOM 0 HB2 ARG A 42 27.488 25.957 23.781 1.00 0.00 H new ATOM 0 HB3 ARG A 42 26.270 25.208 22.767 1.00 0.00 H new ATOM 0 HG2 ARG A 42 28.422 23.470 24.050 1.00 0.00 H new ATOM 0 HG3 ARG A 42 27.049 23.987 25.010 1.00 0.00 H new ATOM 0 HD2 ARG A 42 26.901 22.458 22.362 1.00 0.00 H new ATOM 0 HD3 ARG A 42 26.606 21.779 23.951 1.00 0.00 H new ATOM 0 HE ARG A 42 24.844 23.983 23.719 1.00 0.00 H new ATOM 0 HH11 ARG A 42 22.707 23.652 23.011 1.00 0.00 H new ATOM 0 HH12 ARG A 42 22.290 22.207 22.083 1.00 0.00 H new ATOM 0 HH21 ARG A 42 25.543 20.931 22.132 1.00 0.00 H new ATOM 0 HH22 ARG A 42 23.880 20.683 21.591 1.00 0.00 H new ATOM 680 N LEU A 43 27.488 26.235 20.003 1.00 0.00 N ATOM 681 CA LEU A 43 27.332 27.401 19.125 1.00 0.00 C ATOM 682 C LEU A 43 25.864 27.819 19.030 1.00 0.00 C ATOM 683 O LEU A 43 24.985 26.983 18.812 1.00 0.00 O ATOM 684 CB LEU A 43 27.854 27.063 17.723 1.00 0.00 C ATOM 685 CG LEU A 43 29.249 26.431 17.821 1.00 0.00 C ATOM 686 CD1 LEU A 43 29.732 26.049 16.418 1.00 0.00 C ATOM 687 CD2 LEU A 43 30.233 27.433 18.440 1.00 0.00 C ATOM 0 H LEU A 43 27.043 25.383 19.661 1.00 0.00 H new ATOM 0 HA LEU A 43 27.904 28.227 19.546 1.00 0.00 H new ATOM 0 HB2 LEU A 43 27.169 26.376 17.227 1.00 0.00 H new ATOM 0 HB3 LEU A 43 27.897 27.966 17.114 1.00 0.00 H new ATOM 0 HG LEU A 43 29.197 25.542 18.449 1.00 0.00 H new ATOM 0 HD11 LEU A 43 30.723 25.600 16.484 1.00 0.00 H new ATOM 0 HD12 LEU A 43 29.038 25.334 15.976 1.00 0.00 H new ATOM 0 HD13 LEU A 43 29.779 26.941 15.794 1.00 0.00 H new ATOM 0 HD21 LEU A 43 31.221 26.978 18.507 1.00 0.00 H new ATOM 0 HD22 LEU A 43 30.285 28.325 17.815 1.00 0.00 H new ATOM 0 HD23 LEU A 43 29.892 27.709 19.438 1.00 0.00 H new ATOM 699 N ILE A 44 25.602 29.122 19.209 1.00 0.00 N ATOM 700 CA ILE A 44 24.231 29.651 19.152 1.00 0.00 C ATOM 701 C ILE A 44 24.139 30.849 18.199 1.00 0.00 C ATOM 702 O ILE A 44 25.052 31.678 18.119 1.00 0.00 O ATOM 703 CB ILE A 44 23.778 30.068 20.551 1.00 0.00 C ATOM 704 CG1 ILE A 44 24.188 28.978 21.553 1.00 0.00 C ATOM 705 CG2 ILE A 44 22.255 30.244 20.565 1.00 0.00 C ATOM 706 CD1 ILE A 44 23.483 29.195 22.896 1.00 0.00 C ATOM 0 H ILE A 44 26.317 29.826 19.393 1.00 0.00 H new ATOM 0 HA ILE A 44 23.578 28.864 18.775 1.00 0.00 H new ATOM 0 HB ILE A 44 24.246 31.013 20.827 1.00 0.00 H new ATOM 0 HG12 ILE A 44 23.933 27.995 21.156 1.00 0.00 H new ATOM 0 HG13 ILE A 44 25.269 28.994 21.695 1.00 0.00 H new ATOM 0 HG21 ILE A 44 21.932 30.541 21.563 1.00 0.00 H new ATOM 0 HG22 ILE A 44 21.971 31.014 19.847 1.00 0.00 H new ATOM 0 HG23 ILE A 44 21.777 29.302 20.295 1.00 0.00 H new ATOM 0 HD11 ILE A 44 23.784 28.415 23.595 1.00 0.00 H new ATOM 0 HD12 ILE A 44 23.759 30.169 23.299 1.00 0.00 H new ATOM 0 HD13 ILE A 44 22.403 29.155 22.751 1.00 0.00 H new ATOM 718 N PHE A 45 23.013 30.926 17.496 1.00 0.00 N ATOM 719 CA PHE A 45 22.746 32.009 16.544 1.00 0.00 C ATOM 720 C PHE A 45 21.244 32.276 16.515 1.00 0.00 C ATOM 721 O PHE A 45 20.451 31.341 16.600 1.00 0.00 O ATOM 722 CB PHE A 45 23.212 31.601 15.143 1.00 0.00 C ATOM 723 CG PHE A 45 23.029 32.752 14.177 1.00 0.00 C ATOM 724 CD1 PHE A 45 24.012 33.746 14.075 1.00 0.00 C ATOM 725 CD2 PHE A 45 21.876 32.828 13.383 1.00 0.00 C ATOM 726 CE1 PHE A 45 23.847 34.806 13.176 1.00 0.00 C ATOM 727 CE2 PHE A 45 21.711 33.890 12.484 1.00 0.00 C ATOM 728 CZ PHE A 45 22.695 34.880 12.383 1.00 0.00 C ATOM 0 H PHE A 45 22.259 30.243 17.567 1.00 0.00 H new ATOM 0 HA PHE A 45 23.284 32.906 16.851 1.00 0.00 H new ATOM 0 HB2 PHE A 45 24.260 31.304 15.172 1.00 0.00 H new ATOM 0 HB3 PHE A 45 22.645 30.735 14.801 1.00 0.00 H new ATOM 0 HD1 PHE A 45 24.898 33.694 14.691 1.00 0.00 H new ATOM 0 HD2 PHE A 45 21.114 32.067 13.464 1.00 0.00 H new ATOM 0 HE1 PHE A 45 24.609 35.567 13.094 1.00 0.00 H new ATOM 0 HE2 PHE A 45 20.825 33.945 11.869 1.00 0.00 H new ATOM 0 HZ PHE A 45 22.566 35.701 11.693 1.00 0.00 H new ATOM 738 N ALA A 46 20.847 33.538 16.406 1.00 0.00 N ATOM 739 CA ALA A 46 19.425 33.853 16.386 1.00 0.00 C ATOM 740 C ALA A 46 18.752 33.204 17.591 1.00 0.00 C ATOM 741 O ALA A 46 17.614 32.739 17.523 1.00 0.00 O ATOM 742 CB ALA A 46 18.789 33.346 15.087 1.00 0.00 C ATOM 0 H ALA A 46 21.471 34.341 16.332 1.00 0.00 H new ATOM 0 HA ALA A 46 19.292 34.934 16.435 1.00 0.00 H new ATOM 0 HB1 ALA A 46 17.726 33.587 15.084 1.00 0.00 H new ATOM 0 HB2 ALA A 46 19.272 33.824 14.235 1.00 0.00 H new ATOM 0 HB3 ALA A 46 18.916 32.266 15.017 1.00 0.00 H new ATOM 748 N GLY A 47 19.487 33.201 18.700 1.00 0.00 N ATOM 749 CA GLY A 47 19.007 32.644 19.961 1.00 0.00 C ATOM 750 C GLY A 47 18.722 31.140 19.894 1.00 0.00 C ATOM 751 O GLY A 47 18.131 30.591 20.822 1.00 0.00 O ATOM 0 H GLY A 47 20.431 33.584 18.750 1.00 0.00 H new ATOM 0 HA2 GLY A 47 19.748 32.831 20.738 1.00 0.00 H new ATOM 0 HA3 GLY A 47 18.097 33.166 20.257 1.00 0.00 H new ATOM 755 N LYS A 48 19.135 30.470 18.811 1.00 0.00 N ATOM 756 CA LYS A 48 18.895 29.017 18.679 1.00 0.00 C ATOM 757 C LYS A 48 20.199 28.228 18.630 1.00 0.00 C ATOM 758 O LYS A 48 21.173 28.642 17.998 1.00 0.00 O ATOM 759 CB LYS A 48 18.102 28.713 17.409 1.00 0.00 C ATOM 760 CG LYS A 48 16.704 29.320 17.504 1.00 0.00 C ATOM 761 CD LYS A 48 16.042 29.242 16.127 1.00 0.00 C ATOM 762 CE LYS A 48 14.583 29.685 16.224 1.00 0.00 C ATOM 763 NZ LYS A 48 14.525 31.103 16.675 1.00 0.00 N ATOM 0 H LYS A 48 19.628 30.895 18.025 1.00 0.00 H new ATOM 0 HA LYS A 48 18.328 28.714 19.559 1.00 0.00 H new ATOM 0 HB2 LYS A 48 18.623 29.116 16.541 1.00 0.00 H new ATOM 0 HB3 LYS A 48 18.030 27.635 17.266 1.00 0.00 H new ATOM 0 HG2 LYS A 48 16.108 28.782 18.241 1.00 0.00 H new ATOM 0 HG3 LYS A 48 16.764 30.356 17.837 1.00 0.00 H new ATOM 0 HD2 LYS A 48 16.577 29.876 15.420 1.00 0.00 H new ATOM 0 HD3 LYS A 48 16.097 28.223 15.745 1.00 0.00 H new ATOM 0 HE2 LYS A 48 14.094 29.580 15.255 1.00 0.00 H new ATOM 0 HE3 LYS A 48 14.044 29.047 16.924 1.00 0.00 H new ATOM 0 HZ1 LYS A 48 13.564 31.474 16.532 1.00 0.00 H new ATOM 0 HZ2 LYS A 48 14.771 31.157 17.684 1.00 0.00 H new ATOM 0 HZ3 LYS A 48 15.200 31.670 16.124 1.00 0.00 H new ATOM 777 N GLN A 49 20.192 27.068 19.284 1.00 0.00 N ATOM 778 CA GLN A 49 21.351 26.193 19.310 1.00 0.00 C ATOM 779 C GLN A 49 21.403 25.361 18.030 1.00 0.00 C ATOM 780 O GLN A 49 20.393 24.798 17.608 1.00 0.00 O ATOM 781 CB GLN A 49 21.264 25.259 20.522 1.00 0.00 C ATOM 782 CG GLN A 49 21.511 26.051 21.806 1.00 0.00 C ATOM 783 CD GLN A 49 21.065 25.238 23.017 1.00 0.00 C ATOM 784 OE1 GLN A 49 20.080 24.502 22.945 1.00 0.00 O ATOM 785 NE2 GLN A 49 21.735 25.326 24.135 1.00 0.00 N ATOM 0 H GLN A 49 19.389 26.715 19.804 1.00 0.00 H new ATOM 0 HA GLN A 49 22.254 26.800 19.382 1.00 0.00 H new ATOM 0 HB2 GLN A 49 20.282 24.787 20.559 1.00 0.00 H new ATOM 0 HB3 GLN A 49 21.999 24.460 20.430 1.00 0.00 H new ATOM 0 HG2 GLN A 49 22.569 26.297 21.893 1.00 0.00 H new ATOM 0 HG3 GLN A 49 20.966 26.995 21.771 1.00 0.00 H new ATOM 0 HE21 GLN A 49 22.551 25.936 24.194 1.00 0.00 H new ATOM 0 HE22 GLN A 49 21.443 24.785 24.949 1.00 0.00 H new ATOM 794 N LEU A 50 22.574 25.298 17.408 1.00 0.00 N ATOM 795 CA LEU A 50 22.726 24.535 16.168 1.00 0.00 C ATOM 796 C LEU A 50 22.768 23.033 16.455 1.00 0.00 C ATOM 797 O LEU A 50 23.552 22.565 17.281 1.00 0.00 O ATOM 798 CB LEU A 50 24.002 24.966 15.442 1.00 0.00 C ATOM 799 CG LEU A 50 24.096 26.496 15.442 1.00 0.00 C ATOM 800 CD1 LEU A 50 25.283 26.936 14.584 1.00 0.00 C ATOM 801 CD2 LEU A 50 22.804 27.094 14.870 1.00 0.00 C ATOM 0 H LEU A 50 23.424 25.758 17.734 1.00 0.00 H new ATOM 0 HA LEU A 50 21.865 24.738 15.531 1.00 0.00 H new ATOM 0 HB2 LEU A 50 24.875 24.537 15.933 1.00 0.00 H new ATOM 0 HB3 LEU A 50 23.996 24.591 14.419 1.00 0.00 H new ATOM 0 HG LEU A 50 24.235 26.847 16.464 1.00 0.00 H new ATOM 0 HD11 LEU A 50 25.349 28.024 14.585 1.00 0.00 H new ATOM 0 HD12 LEU A 50 26.202 26.516 14.992 1.00 0.00 H new ATOM 0 HD13 LEU A 50 25.145 26.582 13.563 1.00 0.00 H new ATOM 0 HD21 LEU A 50 22.875 28.182 14.872 1.00 0.00 H new ATOM 0 HD22 LEU A 50 22.661 26.741 13.849 1.00 0.00 H new ATOM 0 HD23 LEU A 50 21.957 26.784 15.483 1.00 0.00 H new ATOM 813 N GLU A 51 21.898 22.288 15.770 1.00 0.00 N ATOM 814 CA GLU A 51 21.810 20.838 15.956 1.00 0.00 C ATOM 815 C GLU A 51 22.769 20.094 15.035 1.00 0.00 C ATOM 816 O GLU A 51 22.953 20.449 13.867 1.00 0.00 O ATOM 817 CB GLU A 51 20.373 20.365 15.678 1.00 0.00 C ATOM 818 CG GLU A 51 19.506 20.590 16.918 1.00 0.00 C ATOM 819 CD GLU A 51 18.075 20.137 16.646 1.00 0.00 C ATOM 820 OE1 GLU A 51 17.887 19.341 15.742 1.00 0.00 O ATOM 821 OE2 GLU A 51 17.187 20.596 17.346 1.00 0.00 O ATOM 0 H GLU A 51 21.245 22.664 15.082 1.00 0.00 H new ATOM 0 HA GLU A 51 22.087 20.618 16.987 1.00 0.00 H new ATOM 0 HB2 GLU A 51 19.959 20.909 14.829 1.00 0.00 H new ATOM 0 HB3 GLU A 51 20.373 19.309 15.410 1.00 0.00 H new ATOM 0 HG2 GLU A 51 19.916 20.037 17.763 1.00 0.00 H new ATOM 0 HG3 GLU A 51 19.516 21.645 17.192 1.00 0.00 H new ATOM 828 N ASP A 52 23.359 19.038 15.574 1.00 0.00 N ATOM 829 CA ASP A 52 24.285 18.219 14.816 1.00 0.00 C ATOM 830 C ASP A 52 23.566 17.523 13.661 1.00 0.00 C ATOM 831 O ASP A 52 22.472 16.984 13.833 1.00 0.00 O ATOM 832 CB ASP A 52 24.918 17.170 15.733 1.00 0.00 C ATOM 833 CG ASP A 52 25.745 17.855 16.814 1.00 0.00 C ATOM 834 OD1 ASP A 52 26.488 18.764 16.479 1.00 0.00 O ATOM 835 OD2 ASP A 52 25.623 17.463 17.963 1.00 0.00 O ATOM 0 H ASP A 52 23.211 18.730 16.535 1.00 0.00 H new ATOM 0 HA ASP A 52 25.063 18.863 14.406 1.00 0.00 H new ATOM 0 HB2 ASP A 52 24.141 16.558 16.191 1.00 0.00 H new ATOM 0 HB3 ASP A 52 25.550 16.499 15.151 1.00 0.00 H new ATOM 840 N GLY A 53 24.195 17.525 12.487 1.00 0.00 N ATOM 841 CA GLY A 53 23.615 16.880 11.308 1.00 0.00 C ATOM 842 C GLY A 53 22.931 17.889 10.385 1.00 0.00 C ATOM 843 O GLY A 53 22.573 17.556 9.255 1.00 0.00 O ATOM 0 H GLY A 53 25.102 17.963 12.326 1.00 0.00 H new ATOM 0 HA2 GLY A 53 24.398 16.357 10.758 1.00 0.00 H new ATOM 0 HA3 GLY A 53 22.891 16.129 11.624 1.00 0.00 H new ATOM 847 N ARG A 54 22.760 19.129 10.853 1.00 0.00 N ATOM 848 CA ARG A 54 22.129 20.166 10.026 1.00 0.00 C ATOM 849 C ARG A 54 23.189 21.035 9.346 1.00 0.00 C ATOM 850 O ARG A 54 24.319 21.140 9.823 1.00 0.00 O ATOM 851 CB ARG A 54 21.222 21.051 10.883 1.00 0.00 C ATOM 852 CG ARG A 54 20.077 20.210 11.453 1.00 0.00 C ATOM 853 CD ARG A 54 18.959 21.135 11.939 1.00 0.00 C ATOM 854 NE ARG A 54 17.859 20.353 12.493 1.00 0.00 N ATOM 855 CZ ARG A 54 16.669 20.903 12.708 1.00 0.00 C ATOM 856 NH1 ARG A 54 15.710 20.196 13.240 1.00 0.00 N ATOM 857 NH2 ARG A 54 16.459 22.148 12.379 1.00 0.00 N ATOM 0 H ARG A 54 23.043 19.437 11.783 1.00 0.00 H new ATOM 0 HA ARG A 54 21.532 19.670 9.261 1.00 0.00 H new ATOM 0 HB2 ARG A 54 21.796 21.500 11.694 1.00 0.00 H new ATOM 0 HB3 ARG A 54 20.823 21.869 10.283 1.00 0.00 H new ATOM 0 HG2 ARG A 54 19.696 19.530 10.691 1.00 0.00 H new ATOM 0 HG3 ARG A 54 20.438 19.594 12.277 1.00 0.00 H new ATOM 0 HD2 ARG A 54 19.346 21.818 12.696 1.00 0.00 H new ATOM 0 HD3 ARG A 54 18.599 21.747 11.112 1.00 0.00 H new ATOM 0 HE ARG A 54 18.006 19.369 12.719 1.00 0.00 H new ATOM 0 HH11 ARG A 54 15.874 19.221 13.491 1.00 0.00 H new ATOM 0 HH12 ARG A 54 14.796 20.618 13.405 1.00 0.00 H new ATOM 0 HH21 ARG A 54 17.208 22.697 11.957 1.00 0.00 H new ATOM 0 HH22 ARG A 54 15.546 22.572 12.543 1.00 0.00 H new ATOM 871 N THR A 55 22.811 21.663 8.232 1.00 0.00 N ATOM 872 CA THR A 55 23.727 22.537 7.489 1.00 0.00 C ATOM 873 C THR A 55 23.435 23.994 7.829 1.00 0.00 C ATOM 874 O THR A 55 22.352 24.311 8.316 1.00 0.00 O ATOM 875 CB THR A 55 23.545 22.319 5.982 1.00 0.00 C ATOM 876 OG1 THR A 55 22.173 22.483 5.647 1.00 0.00 O ATOM 877 CG2 THR A 55 23.999 20.906 5.606 1.00 0.00 C ATOM 0 H THR A 55 21.880 21.585 7.823 1.00 0.00 H new ATOM 0 HA THR A 55 24.753 22.297 7.767 1.00 0.00 H new ATOM 0 HB THR A 55 24.145 23.046 5.434 1.00 0.00 H new ATOM 0 HG1 THR A 55 21.695 22.872 6.409 1.00 0.00 H new ATOM 0 HG21 THR A 55 23.868 20.755 4.534 1.00 0.00 H new ATOM 0 HG22 THR A 55 25.051 20.781 5.864 1.00 0.00 H new ATOM 0 HG23 THR A 55 23.402 20.175 6.151 1.00 0.00 H new ATOM 885 N LEU A 56 24.387 24.887 7.567 1.00 0.00 N ATOM 886 CA LEU A 56 24.167 26.299 7.862 1.00 0.00 C ATOM 887 C LEU A 56 22.904 26.790 7.145 1.00 0.00 C ATOM 888 O LEU A 56 22.147 27.582 7.704 1.00 0.00 O ATOM 889 CB LEU A 56 25.396 27.151 7.457 1.00 0.00 C ATOM 890 CG LEU A 56 26.328 27.374 8.665 1.00 0.00 C ATOM 891 CD1 LEU A 56 26.974 26.045 9.075 1.00 0.00 C ATOM 892 CD2 LEU A 56 27.419 28.386 8.291 1.00 0.00 C ATOM 0 H LEU A 56 25.296 24.665 7.161 1.00 0.00 H new ATOM 0 HA LEU A 56 24.028 26.412 8.937 1.00 0.00 H new ATOM 0 HB2 LEU A 56 25.943 26.652 6.657 1.00 0.00 H new ATOM 0 HB3 LEU A 56 25.065 28.113 7.065 1.00 0.00 H new ATOM 0 HG LEU A 56 25.747 27.761 9.502 1.00 0.00 H new ATOM 0 HD11 LEU A 56 27.632 26.208 9.929 1.00 0.00 H new ATOM 0 HD12 LEU A 56 26.196 25.331 9.347 1.00 0.00 H new ATOM 0 HD13 LEU A 56 27.554 25.650 8.241 1.00 0.00 H new ATOM 0 HD21 LEU A 56 28.078 28.543 9.145 1.00 0.00 H new ATOM 0 HD22 LEU A 56 27.999 28.002 7.452 1.00 0.00 H new ATOM 0 HD23 LEU A 56 26.957 29.332 8.010 1.00 0.00 H new ATOM 904 N SER A 57 22.682 26.334 5.906 1.00 0.00 N ATOM 905 CA SER A 57 21.503 26.757 5.154 1.00 0.00 C ATOM 906 C SER A 57 20.263 26.680 6.030 1.00 0.00 C ATOM 907 O SER A 57 19.362 27.514 5.924 1.00 0.00 O ATOM 908 CB SER A 57 21.304 25.869 3.923 1.00 0.00 C ATOM 909 OG SER A 57 20.299 26.437 3.092 1.00 0.00 O ATOM 0 H SER A 57 23.294 25.683 5.413 1.00 0.00 H new ATOM 0 HA SER A 57 21.658 27.787 4.833 1.00 0.00 H new ATOM 0 HB2 SER A 57 22.240 25.777 3.371 1.00 0.00 H new ATOM 0 HB3 SER A 57 21.014 24.864 4.228 1.00 0.00 H new ATOM 0 HG SER A 57 20.170 25.872 2.302 1.00 0.00 H new ATOM 915 N ASP A 58 20.225 25.683 6.909 1.00 0.00 N ATOM 916 CA ASP A 58 19.092 25.524 7.806 1.00 0.00 C ATOM 917 C ASP A 58 18.865 26.828 8.557 1.00 0.00 C ATOM 918 O ASP A 58 17.740 27.308 8.678 1.00 0.00 O ATOM 919 CB ASP A 58 19.369 24.393 8.806 1.00 0.00 C ATOM 920 CG ASP A 58 19.516 23.063 8.072 1.00 0.00 C ATOM 921 OD1 ASP A 58 20.380 22.974 7.213 1.00 0.00 O ATOM 922 OD2 ASP A 58 18.765 22.152 8.379 1.00 0.00 O ATOM 0 H ASP A 58 20.958 24.982 7.017 1.00 0.00 H new ATOM 0 HA ASP A 58 18.203 25.273 7.227 1.00 0.00 H new ATOM 0 HB2 ASP A 58 20.278 24.609 9.367 1.00 0.00 H new ATOM 0 HB3 ASP A 58 18.555 24.330 9.529 1.00 0.00 H new ATOM 927 N TYR A 59 19.966 27.400 9.043 1.00 0.00 N ATOM 928 CA TYR A 59 19.939 28.664 9.781 1.00 0.00 C ATOM 929 C TYR A 59 20.489 29.787 8.903 1.00 0.00 C ATOM 930 O TYR A 59 21.693 29.861 8.712 1.00 0.00 O ATOM 931 CB TYR A 59 20.826 28.531 11.020 1.00 0.00 C ATOM 932 CG TYR A 59 20.431 27.303 11.807 1.00 0.00 C ATOM 933 CD1 TYR A 59 21.124 26.097 11.632 1.00 0.00 C ATOM 934 CD2 TYR A 59 19.372 27.373 12.718 1.00 0.00 C ATOM 935 CE1 TYR A 59 20.755 24.963 12.369 1.00 0.00 C ATOM 936 CE2 TYR A 59 19.003 26.242 13.453 1.00 0.00 C ATOM 937 CZ TYR A 59 19.695 25.037 13.280 1.00 0.00 C ATOM 938 OH TYR A 59 19.331 23.922 14.007 1.00 0.00 O ATOM 0 H TYR A 59 20.899 27.002 8.937 1.00 0.00 H new ATOM 0 HA TYR A 59 18.913 28.895 10.069 1.00 0.00 H new ATOM 0 HB2 TYR A 59 21.872 28.462 10.723 1.00 0.00 H new ATOM 0 HB3 TYR A 59 20.730 29.420 11.644 1.00 0.00 H new ATOM 0 HD1 TYR A 59 21.942 26.042 10.929 1.00 0.00 H new ATOM 0 HD2 TYR A 59 18.838 28.302 12.854 1.00 0.00 H new ATOM 0 HE1 TYR A 59 21.288 24.033 12.234 1.00 0.00 H new ATOM 0 HE2 TYR A 59 18.184 26.298 14.155 1.00 0.00 H new ATOM 0 HH TYR A 59 18.578 24.145 14.593 1.00 0.00 H new ATOM 948 N ASN A 60 19.598 30.603 8.322 1.00 0.00 N ATOM 949 CA ASN A 60 20.000 31.687 7.401 1.00 0.00 C ATOM 950 C ASN A 60 21.148 32.565 7.934 1.00 0.00 C ATOM 951 O ASN A 60 20.965 33.754 8.195 1.00 0.00 O ATOM 952 CB ASN A 60 18.793 32.576 7.073 1.00 0.00 C ATOM 953 CG ASN A 60 17.631 31.726 6.566 1.00 0.00 C ATOM 954 OD1 ASN A 60 17.607 31.343 5.397 1.00 0.00 O ATOM 955 ND2 ASN A 60 16.660 31.406 7.379 1.00 0.00 N ATOM 0 H ASN A 60 18.591 30.536 8.471 1.00 0.00 H new ATOM 0 HA ASN A 60 20.372 31.193 6.504 1.00 0.00 H new ATOM 0 HB2 ASN A 60 18.488 33.129 7.962 1.00 0.00 H new ATOM 0 HB3 ASN A 60 19.070 33.313 6.319 1.00 0.00 H new ATOM 0 HD21 ASN A 60 15.881 30.838 7.045 1.00 0.00 H new ATOM 0 HD22 ASN A 60 16.681 31.724 8.348 1.00 0.00 H new ATOM 962 N ILE A 61 22.328 31.963 8.067 1.00 0.00 N ATOM 963 CA ILE A 61 23.532 32.660 8.530 1.00 0.00 C ATOM 964 C ILE A 61 24.337 33.112 7.310 1.00 0.00 C ATOM 965 O ILE A 61 25.020 32.301 6.687 1.00 0.00 O ATOM 966 CB ILE A 61 24.392 31.700 9.360 1.00 0.00 C ATOM 967 CG1 ILE A 61 23.675 31.341 10.664 1.00 0.00 C ATOM 968 CG2 ILE A 61 25.738 32.355 9.685 1.00 0.00 C ATOM 969 CD1 ILE A 61 24.423 30.190 11.345 1.00 0.00 C ATOM 0 H ILE A 61 22.479 30.976 7.857 1.00 0.00 H new ATOM 0 HA ILE A 61 23.249 33.519 9.139 1.00 0.00 H new ATOM 0 HB ILE A 61 24.559 30.792 8.781 1.00 0.00 H new ATOM 0 HG12 ILE A 61 23.637 32.208 11.324 1.00 0.00 H new ATOM 0 HG13 ILE A 61 22.644 31.051 10.459 1.00 0.00 H new ATOM 0 HG21 ILE A 61 26.344 31.668 10.275 1.00 0.00 H new ATOM 0 HG22 ILE A 61 26.259 32.595 8.758 1.00 0.00 H new ATOM 0 HG23 ILE A 61 25.570 33.270 10.253 1.00 0.00 H new ATOM 0 HD11 ILE A 61 23.919 29.928 12.275 1.00 0.00 H new ATOM 0 HD12 ILE A 61 24.438 29.324 10.684 1.00 0.00 H new ATOM 0 HD13 ILE A 61 25.446 30.498 11.561 1.00 0.00 H new ATOM 981 N GLN A 62 24.238 34.389 6.944 1.00 0.00 N ATOM 982 CA GLN A 62 24.951 34.881 5.759 1.00 0.00 C ATOM 983 C GLN A 62 26.381 35.293 6.073 1.00 0.00 C ATOM 984 O GLN A 62 26.822 35.251 7.221 1.00 0.00 O ATOM 985 CB GLN A 62 24.206 36.062 5.141 1.00 0.00 C ATOM 986 CG GLN A 62 22.811 35.616 4.705 1.00 0.00 C ATOM 987 CD GLN A 62 22.156 36.707 3.867 1.00 0.00 C ATOM 988 OE1 GLN A 62 22.725 37.152 2.870 1.00 0.00 O ATOM 989 NE2 GLN A 62 20.988 37.170 4.215 1.00 0.00 N ATOM 0 H GLN A 62 23.685 35.091 7.436 1.00 0.00 H new ATOM 0 HA GLN A 62 24.990 34.055 5.049 1.00 0.00 H new ATOM 0 HB2 GLN A 62 24.130 36.875 5.863 1.00 0.00 H new ATOM 0 HB3 GLN A 62 24.760 36.447 4.285 1.00 0.00 H new ATOM 0 HG2 GLN A 62 22.878 34.694 4.128 1.00 0.00 H new ATOM 0 HG3 GLN A 62 22.198 35.401 5.580 1.00 0.00 H new ATOM 0 HE21 GLN A 62 20.518 36.800 5.041 1.00 0.00 H new ATOM 0 HE22 GLN A 62 20.544 37.902 3.661 1.00 0.00 H new ATOM 998 N LYS A 63 27.099 35.674 5.019 1.00 0.00 N ATOM 999 CA LYS A 63 28.493 36.077 5.153 1.00 0.00 C ATOM 1000 C LYS A 63 28.652 37.289 6.068 1.00 0.00 C ATOM 1001 O LYS A 63 27.804 38.182 6.109 1.00 0.00 O ATOM 1002 CB LYS A 63 29.112 36.364 3.777 1.00 0.00 C ATOM 1003 CG LYS A 63 28.367 37.491 3.050 1.00 0.00 C ATOM 1004 CD LYS A 63 29.144 37.842 1.773 1.00 0.00 C ATOM 1005 CE LYS A 63 28.381 38.892 0.961 1.00 0.00 C ATOM 1006 NZ LYS A 63 28.223 40.132 1.770 1.00 0.00 N ATOM 0 H LYS A 63 26.738 35.711 4.066 1.00 0.00 H new ATOM 0 HA LYS A 63 29.025 35.244 5.613 1.00 0.00 H new ATOM 0 HB2 LYS A 63 30.160 36.638 3.898 1.00 0.00 H new ATOM 0 HB3 LYS A 63 29.087 35.459 3.170 1.00 0.00 H new ATOM 0 HG2 LYS A 63 27.353 37.177 2.802 1.00 0.00 H new ATOM 0 HG3 LYS A 63 28.281 38.366 3.694 1.00 0.00 H new ATOM 0 HD2 LYS A 63 30.133 38.221 2.033 1.00 0.00 H new ATOM 0 HD3 LYS A 63 29.294 36.945 1.172 1.00 0.00 H new ATOM 0 HE2 LYS A 63 28.918 39.114 0.039 1.00 0.00 H new ATOM 0 HE3 LYS A 63 27.403 38.505 0.675 1.00 0.00 H new ATOM 0 HZ1 LYS A 63 27.940 40.917 1.150 1.00 0.00 H new ATOM 0 HZ2 LYS A 63 27.492 39.983 2.495 1.00 0.00 H new ATOM 0 HZ3 LYS A 63 29.126 40.363 2.231 1.00 0.00 H new ATOM 1020 N GLU A 64 29.771 37.299 6.789 1.00 0.00 N ATOM 1021 CA GLU A 64 30.103 38.380 7.711 1.00 0.00 C ATOM 1022 C GLU A 64 29.033 38.564 8.787 1.00 0.00 C ATOM 1023 O GLU A 64 28.338 39.579 8.818 1.00 0.00 O ATOM 1024 CB GLU A 64 30.308 39.679 6.934 1.00 0.00 C ATOM 1025 CG GLU A 64 31.520 39.515 6.015 1.00 0.00 C ATOM 1026 CD GLU A 64 31.727 40.772 5.181 1.00 0.00 C ATOM 1027 OE1 GLU A 64 32.335 41.701 5.686 1.00 0.00 O ATOM 1028 OE2 GLU A 64 31.273 40.788 4.048 1.00 0.00 O ATOM 0 H GLU A 64 30.471 36.559 6.750 1.00 0.00 H new ATOM 0 HA GLU A 64 31.029 38.112 8.220 1.00 0.00 H new ATOM 0 HB2 GLU A 64 29.419 39.913 6.349 1.00 0.00 H new ATOM 0 HB3 GLU A 64 30.465 40.510 7.622 1.00 0.00 H new ATOM 0 HG2 GLU A 64 32.411 39.315 6.610 1.00 0.00 H new ATOM 0 HG3 GLU A 64 31.374 38.656 5.360 1.00 0.00 H new ATOM 1049 N THR A 66 28.133 37.562 13.251 1.00 0.00 N ATOM 1050 CA THR A 66 28.786 37.234 14.525 1.00 0.00 C ATOM 1051 C THR A 66 28.135 36.008 15.165 1.00 0.00 C ATOM 1052 O THR A 66 26.948 36.019 15.495 1.00 0.00 O ATOM 1053 CB THR A 66 28.698 38.419 15.483 1.00 0.00 C ATOM 1054 OG1 THR A 66 29.243 39.570 14.854 1.00 0.00 O ATOM 1055 CG2 THR A 66 29.493 38.106 16.754 1.00 0.00 C ATOM 0 HA THR A 66 29.834 37.011 14.323 1.00 0.00 H new ATOM 0 HB THR A 66 27.656 38.604 15.744 1.00 0.00 H new ATOM 0 HG1 THR A 66 29.175 39.474 13.881 1.00 0.00 H new ATOM 0 HG21 THR A 66 29.431 38.951 17.439 1.00 0.00 H new ATOM 0 HG22 THR A 66 29.078 37.219 17.233 1.00 0.00 H new ATOM 0 HG23 THR A 66 30.536 37.924 16.495 1.00 0.00 H new ATOM 1063 N LEU A 67 28.934 34.954 15.349 1.00 0.00 N ATOM 1064 CA LEU A 67 28.453 33.713 15.962 1.00 0.00 C ATOM 1065 C LEU A 67 28.825 33.693 17.440 1.00 0.00 C ATOM 1066 O LEU A 67 29.892 34.181 17.817 1.00 0.00 O ATOM 1067 CB LEU A 67 29.086 32.506 15.246 1.00 0.00 C ATOM 1068 CG LEU A 67 28.455 31.198 15.751 1.00 0.00 C ATOM 1069 CD1 LEU A 67 26.965 31.137 15.347 1.00 0.00 C ATOM 1070 CD2 LEU A 67 29.214 30.004 15.147 1.00 0.00 C ATOM 0 H LEU A 67 29.918 34.935 15.082 1.00 0.00 H new ATOM 0 HA LEU A 67 27.369 33.658 15.867 1.00 0.00 H new ATOM 0 HB2 LEU A 67 28.942 32.596 14.169 1.00 0.00 H new ATOM 0 HB3 LEU A 67 30.161 32.492 15.423 1.00 0.00 H new ATOM 0 HG LEU A 67 28.522 31.159 16.838 1.00 0.00 H new ATOM 0 HD11 LEU A 67 26.528 30.207 15.709 1.00 0.00 H new ATOM 0 HD12 LEU A 67 26.434 31.982 15.785 1.00 0.00 H new ATOM 0 HD13 LEU A 67 26.880 31.179 14.261 1.00 0.00 H new ATOM 0 HD21 LEU A 67 28.771 29.074 15.502 1.00 0.00 H new ATOM 0 HD22 LEU A 67 29.150 30.045 14.060 1.00 0.00 H new ATOM 0 HD23 LEU A 67 30.260 30.046 15.451 1.00 0.00 H new ATOM 1082 N HIS A 68 27.958 33.125 18.285 1.00 0.00 N ATOM 1083 CA HIS A 68 28.240 33.064 19.717 1.00 0.00 C ATOM 1084 C HIS A 68 28.898 31.727 20.075 1.00 0.00 C ATOM 1085 O HIS A 68 28.316 30.666 19.845 1.00 0.00 O ATOM 1086 CB HIS A 68 26.939 33.220 20.511 1.00 0.00 C ATOM 1087 CG HIS A 68 26.297 34.538 20.168 1.00 0.00 C ATOM 1088 ND1 HIS A 68 25.475 34.696 19.061 1.00 0.00 N ATOM 1089 CD2 HIS A 68 26.345 35.770 20.774 1.00 0.00 C ATOM 1090 CE1 HIS A 68 25.067 35.978 19.036 1.00 0.00 C ATOM 1091 NE2 HIS A 68 25.568 36.676 20.059 1.00 0.00 N ATOM 0 H HIS A 68 27.070 32.708 18.005 1.00 0.00 H new ATOM 0 HA HIS A 68 28.922 33.875 19.971 1.00 0.00 H new ATOM 0 HB2 HIS A 68 26.259 32.401 20.279 1.00 0.00 H new ATOM 0 HB3 HIS A 68 27.145 33.171 21.580 1.00 0.00 H new ATOM 0 HD1 HIS A 68 25.225 33.971 18.388 1.00 0.00 H new ATOM 0 HD2 HIS A 68 26.902 36.000 21.670 1.00 0.00 H new ATOM 0 HE1 HIS A 68 24.415 36.392 18.281 1.00 0.00 H new ATOM 1100 N LEU A 69 30.109 31.777 20.644 1.00 0.00 N ATOM 1101 CA LEU A 69 30.824 30.578 21.038 1.00 0.00 C ATOM 1102 C LEU A 69 30.863 30.516 22.551 1.00 0.00 C ATOM 1103 O LEU A 69 31.555 31.293 23.209 1.00 0.00 O ATOM 1104 CB LEU A 69 32.242 30.613 20.469 1.00 0.00 C ATOM 1105 CG LEU A 69 32.888 29.207 20.559 1.00 0.00 C ATOM 1106 CD1 LEU A 69 34.220 29.210 19.803 1.00 0.00 C ATOM 1107 CD2 LEU A 69 33.139 28.832 22.030 1.00 0.00 C ATOM 0 H LEU A 69 30.608 32.645 20.839 1.00 0.00 H new ATOM 0 HA LEU A 69 30.320 29.693 20.650 1.00 0.00 H new ATOM 0 HB2 LEU A 69 32.217 30.944 19.431 1.00 0.00 H new ATOM 0 HB3 LEU A 69 32.845 31.335 21.020 1.00 0.00 H new ATOM 0 HG LEU A 69 32.212 28.476 20.115 1.00 0.00 H new ATOM 0 HD11 LEU A 69 34.676 28.222 19.865 1.00 0.00 H new ATOM 0 HD12 LEU A 69 34.044 29.463 18.758 1.00 0.00 H new ATOM 0 HD13 LEU A 69 34.889 29.947 20.248 1.00 0.00 H new ATOM 0 HD21 LEU A 69 33.593 27.842 22.081 1.00 0.00 H new ATOM 0 HD22 LEU A 69 33.810 29.563 22.482 1.00 0.00 H new ATOM 0 HD23 LEU A 69 32.192 28.825 22.570 1.00 0.00 H new ATOM 1119 N VAL A 70 30.099 29.584 23.087 1.00 0.00 N ATOM 1120 CA VAL A 70 30.009 29.386 24.530 1.00 0.00 C ATOM 1121 C VAL A 70 30.583 28.028 24.898 1.00 0.00 C ATOM 1122 O VAL A 70 30.456 27.064 24.143 1.00 0.00 O ATOM 1123 CB VAL A 70 28.545 29.473 24.966 1.00 0.00 C ATOM 1124 CG1 VAL A 70 28.450 29.318 26.485 1.00 0.00 C ATOM 1125 CG2 VAL A 70 27.975 30.835 24.559 1.00 0.00 C ATOM 0 H VAL A 70 29.523 28.943 22.541 1.00 0.00 H new ATOM 0 HA VAL A 70 30.581 30.161 25.040 1.00 0.00 H new ATOM 0 HB VAL A 70 27.976 28.677 24.485 1.00 0.00 H new ATOM 0 HG11 VAL A 70 27.406 29.380 26.793 1.00 0.00 H new ATOM 0 HG12 VAL A 70 28.857 28.350 26.778 1.00 0.00 H new ATOM 0 HG13 VAL A 70 29.019 30.113 26.968 1.00 0.00 H new ATOM 0 HG21 VAL A 70 26.932 30.900 24.868 1.00 0.00 H new ATOM 0 HG22 VAL A 70 28.547 31.628 25.042 1.00 0.00 H new ATOM 0 HG23 VAL A 70 28.040 30.948 23.477 1.00 0.00 H new