USER MOD reduce.3.24.130724 H: found=0, std=0, add=404, rem=0, adj=17 USER MOD reduce.3.24.130724 removed 402 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 14 LYS NZ :NH3+ -157:sc= 0 (180deg=-0.401) USER MOD Set 1.2: A 17 GLN :FLIP amide:sc= -0.464 F(o=-1.3,f=-0.46) USER MOD Single : A 1 GLY N :NH3+ -120:sc= 0.118 (180deg=0) USER MOD Single : A 2 SER OG : rot 25:sc= 0.0386 USER MOD Single : A 3 SER OG : rot 180:sc= 0 USER MOD Single : A 5 SER OG : rot 180:sc= 0 USER MOD Single : A 6 SER OG : rot 180:sc= 0 USER MOD Single : A 8 CYS SG : rot 180:sc= 0 USER MOD Single : A 9 SER OG : rot 38:sc= 0.0401 USER MOD Single : A 19 MET CE :methyl -151:sc= -0.131 (180deg=-0.71) USER MOD Single : A 22 ASN : amide:sc= -0.643 X(o=-0.64,f=-0.73) USER MOD Single : A 23 MET CE :methyl -105:sc= -3.94! (180deg=-9.23!) USER MOD Single : A 25 GLN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 30 SER OG : rot 82:sc= 1.07 USER MOD Single : A 35 GLN : amide:sc= -1.28 K(o=-1.3,f=-3.6!) USER MOD Single : A 38 ASN : amide:sc= -1.6 K(o=-1.6,f=-12!) USER MOD Single : A 39 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 44 ASN : amide:sc= 0 X(o=0,f=-0.24) USER MOD Single : A 45 SER OG : rot 180:sc= 0 USER MOD Single : A 48 GLN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 49 MET CE :methyl -105:sc= -3.05! (180deg=-5.95!) USER MOD Single : A 54 SER OG : rot 180:sc= 0 USER MOD Single : A 57 SER OG : rot 180:sc= 0 USER MOD Single : A 58 SER OG : rot 180:sc= 0 USER MOD ----------------------------------------------------------------- ATOM 1 N GLY A 1 -17.452 -8.923 10.212 1.00 0.00 N ATOM 2 CA GLY A 1 -16.499 -9.024 11.305 1.00 0.00 C ATOM 3 C GLY A 1 -15.324 -8.067 11.098 1.00 0.00 C ATOM 4 O GLY A 1 -15.241 -7.393 10.072 1.00 0.00 O ATOM 0 H1 GLY A 1 -18.379 -8.634 10.585 1.00 0.00 H new ATOM 0 H2 GLY A 1 -17.120 -8.216 9.526 1.00 0.00 H new ATOM 0 H3 GLY A 1 -17.540 -9.847 9.742 1.00 0.00 H new ATOM 0 HA2 GLY A 1 -16.996 -8.796 12.248 1.00 0.00 H new ATOM 0 HA3 GLY A 1 -16.131 -10.047 11.378 1.00 0.00 H new ATOM 8 N SER A 2 -14.444 -8.037 12.088 1.00 0.00 N ATOM 9 CA SER A 2 -13.277 -7.173 12.028 1.00 0.00 C ATOM 10 C SER A 2 -12.112 -7.815 12.783 1.00 0.00 C ATOM 11 O SER A 2 -12.285 -8.308 13.896 1.00 0.00 O ATOM 12 CB SER A 2 -13.586 -5.790 12.604 1.00 0.00 C ATOM 13 OG SER A 2 -13.894 -5.847 13.994 1.00 0.00 O ATOM 0 H SER A 2 -14.516 -8.598 12.937 1.00 0.00 H new ATOM 0 HA SER A 2 -12.998 -7.047 10.982 1.00 0.00 H new ATOM 0 HB2 SER A 2 -12.730 -5.133 12.449 1.00 0.00 H new ATOM 0 HB3 SER A 2 -14.426 -5.352 12.064 1.00 0.00 H new ATOM 0 HG SER A 2 -13.481 -6.643 14.388 1.00 0.00 H new ATOM 19 N SER A 3 -10.950 -7.788 12.146 1.00 0.00 N ATOM 20 CA SER A 3 -9.756 -8.361 12.744 1.00 0.00 C ATOM 21 C SER A 3 -8.878 -7.251 13.327 1.00 0.00 C ATOM 22 O SER A 3 -8.574 -7.257 14.519 1.00 0.00 O ATOM 23 CB SER A 3 -8.966 -9.180 11.721 1.00 0.00 C ATOM 24 OG SER A 3 -8.699 -10.500 12.185 1.00 0.00 O ATOM 0 H SER A 3 -10.810 -7.378 11.222 1.00 0.00 H new ATOM 0 HA SER A 3 -10.064 -9.031 13.546 1.00 0.00 H new ATOM 0 HB2 SER A 3 -9.526 -9.230 10.787 1.00 0.00 H new ATOM 0 HB3 SER A 3 -8.025 -8.676 11.502 1.00 0.00 H new ATOM 0 HG SER A 3 -8.195 -10.991 11.503 1.00 0.00 H new ATOM 30 N GLY A 4 -8.496 -6.325 12.459 1.00 0.00 N ATOM 31 CA GLY A 4 -7.660 -5.212 12.873 1.00 0.00 C ATOM 32 C GLY A 4 -8.176 -3.894 12.292 1.00 0.00 C ATOM 33 O GLY A 4 -8.560 -3.833 11.125 1.00 0.00 O ATOM 0 H GLY A 4 -8.750 -6.323 11.471 1.00 0.00 H new ATOM 0 HA2 GLY A 4 -7.641 -5.151 13.961 1.00 0.00 H new ATOM 0 HA3 GLY A 4 -6.634 -5.381 12.545 1.00 0.00 H new ATOM 37 N SER A 5 -8.167 -2.870 13.133 1.00 0.00 N ATOM 38 CA SER A 5 -8.629 -1.556 12.718 1.00 0.00 C ATOM 39 C SER A 5 -7.971 -0.474 13.576 1.00 0.00 C ATOM 40 O SER A 5 -7.741 -0.677 14.767 1.00 0.00 O ATOM 41 CB SER A 5 -10.153 -1.454 12.810 1.00 0.00 C ATOM 42 OG SER A 5 -10.630 -0.182 12.380 1.00 0.00 O ATOM 0 H SER A 5 -7.847 -2.924 14.100 1.00 0.00 H new ATOM 0 HA SER A 5 -8.344 -1.407 11.677 1.00 0.00 H new ATOM 0 HB2 SER A 5 -10.606 -2.236 12.201 1.00 0.00 H new ATOM 0 HB3 SER A 5 -10.467 -1.630 13.839 1.00 0.00 H new ATOM 0 HG SER A 5 -11.607 -0.158 12.452 1.00 0.00 H new ATOM 48 N SER A 6 -7.687 0.651 12.938 1.00 0.00 N ATOM 49 CA SER A 6 -7.060 1.765 13.628 1.00 0.00 C ATOM 50 C SER A 6 -5.664 1.363 14.111 1.00 0.00 C ATOM 51 O SER A 6 -5.474 1.062 15.288 1.00 0.00 O ATOM 52 CB SER A 6 -7.914 2.234 14.807 1.00 0.00 C ATOM 53 OG SER A 6 -8.546 3.484 14.545 1.00 0.00 O ATOM 0 H SER A 6 -7.880 0.815 11.950 1.00 0.00 H new ATOM 0 HA SER A 6 -6.970 2.594 12.926 1.00 0.00 H new ATOM 0 HB2 SER A 6 -8.673 1.483 15.026 1.00 0.00 H new ATOM 0 HB3 SER A 6 -7.288 2.323 15.695 1.00 0.00 H new ATOM 0 HG SER A 6 -9.083 3.748 15.321 1.00 0.00 H new ATOM 59 N GLY A 7 -4.725 1.372 13.177 1.00 0.00 N ATOM 60 CA GLY A 7 -3.353 1.013 13.492 1.00 0.00 C ATOM 61 C GLY A 7 -2.665 0.366 12.288 1.00 0.00 C ATOM 62 O GLY A 7 -1.891 1.016 11.587 1.00 0.00 O ATOM 0 H GLY A 7 -4.887 1.622 12.202 1.00 0.00 H new ATOM 0 HA2 GLY A 7 -2.801 1.903 13.796 1.00 0.00 H new ATOM 0 HA3 GLY A 7 -3.338 0.325 14.337 1.00 0.00 H new ATOM 66 N CYS A 8 -2.972 -0.907 12.084 1.00 0.00 N ATOM 67 CA CYS A 8 -2.394 -1.649 10.977 1.00 0.00 C ATOM 68 C CYS A 8 -3.116 -2.993 10.870 1.00 0.00 C ATOM 69 O CYS A 8 -3.902 -3.351 11.746 1.00 0.00 O ATOM 70 CB CYS A 8 -0.883 -1.824 11.142 1.00 0.00 C ATOM 71 SG CYS A 8 -0.529 -2.837 12.625 1.00 0.00 S ATOM 0 H CYS A 8 -3.614 -1.443 12.667 1.00 0.00 H new ATOM 0 HA CYS A 8 -2.530 -1.091 10.051 1.00 0.00 H new ATOM 0 HB2 CYS A 8 -0.465 -2.302 10.256 1.00 0.00 H new ATOM 0 HB3 CYS A 8 -0.404 -0.849 11.234 1.00 0.00 H new ATOM 0 HG CYS A 8 0.756 -2.982 12.755 1.00 0.00 H new ATOM 77 N SER A 9 -2.824 -3.701 9.789 1.00 0.00 N ATOM 78 CA SER A 9 -3.436 -4.998 9.556 1.00 0.00 C ATOM 79 C SER A 9 -2.532 -5.851 8.663 1.00 0.00 C ATOM 80 O SER A 9 -1.723 -5.319 7.905 1.00 0.00 O ATOM 81 CB SER A 9 -4.820 -4.848 8.920 1.00 0.00 C ATOM 82 OG SER A 9 -5.864 -4.952 9.884 1.00 0.00 O ATOM 0 H SER A 9 -2.172 -3.401 9.065 1.00 0.00 H new ATOM 0 HA SER A 9 -3.559 -5.495 10.518 1.00 0.00 H new ATOM 0 HB2 SER A 9 -4.885 -3.883 8.417 1.00 0.00 H new ATOM 0 HB3 SER A 9 -4.953 -5.615 8.157 1.00 0.00 H new ATOM 0 HG SER A 9 -5.588 -4.511 10.714 1.00 0.00 H new ATOM 88 N GLU A 10 -2.700 -7.159 8.783 1.00 0.00 N ATOM 89 CA GLU A 10 -1.909 -8.091 7.997 1.00 0.00 C ATOM 90 C GLU A 10 -2.634 -8.436 6.695 1.00 0.00 C ATOM 91 O GLU A 10 -2.000 -8.784 5.700 1.00 0.00 O ATOM 92 CB GLU A 10 -1.592 -9.354 8.799 1.00 0.00 C ATOM 93 CG GLU A 10 -0.113 -9.399 9.191 1.00 0.00 C ATOM 94 CD GLU A 10 0.363 -10.842 9.370 1.00 0.00 C ATOM 95 OE1 GLU A 10 -0.224 -11.530 10.232 1.00 0.00 O ATOM 96 OE2 GLU A 10 1.305 -11.223 8.641 1.00 0.00 O ATOM 0 H GLU A 10 -3.373 -7.596 9.413 1.00 0.00 H new ATOM 0 HA GLU A 10 -0.962 -7.612 7.747 1.00 0.00 H new ATOM 0 HB2 GLU A 10 -2.211 -9.384 9.696 1.00 0.00 H new ATOM 0 HB3 GLU A 10 -1.842 -10.236 8.209 1.00 0.00 H new ATOM 0 HG2 GLU A 10 0.485 -8.907 8.424 1.00 0.00 H new ATOM 0 HG3 GLU A 10 0.038 -8.845 10.117 1.00 0.00 H new ATOM 103 N GLU A 11 -3.954 -8.326 6.743 1.00 0.00 N ATOM 104 CA GLU A 11 -4.772 -8.622 5.580 1.00 0.00 C ATOM 105 C GLU A 11 -4.612 -7.526 4.525 1.00 0.00 C ATOM 106 O GLU A 11 -4.159 -7.790 3.413 1.00 0.00 O ATOM 107 CB GLU A 11 -6.241 -8.796 5.972 1.00 0.00 C ATOM 108 CG GLU A 11 -6.717 -10.224 5.698 1.00 0.00 C ATOM 109 CD GLU A 11 -7.623 -10.725 6.824 1.00 0.00 C ATOM 110 OE1 GLU A 11 -7.065 -11.104 7.876 1.00 0.00 O ATOM 111 OE2 GLU A 11 -8.854 -10.719 6.607 1.00 0.00 O ATOM 0 H GLU A 11 -4.477 -8.036 7.569 1.00 0.00 H new ATOM 0 HA GLU A 11 -4.431 -9.564 5.151 1.00 0.00 H new ATOM 0 HB2 GLU A 11 -6.369 -8.563 7.029 1.00 0.00 H new ATOM 0 HB3 GLU A 11 -6.856 -8.091 5.413 1.00 0.00 H new ATOM 0 HG2 GLU A 11 -7.256 -10.256 4.751 1.00 0.00 H new ATOM 0 HG3 GLU A 11 -5.856 -10.885 5.597 1.00 0.00 H new ATOM 118 N ASP A 12 -4.994 -6.317 4.912 1.00 0.00 N ATOM 119 CA ASP A 12 -4.899 -5.179 4.014 1.00 0.00 C ATOM 120 C ASP A 12 -3.493 -5.126 3.412 1.00 0.00 C ATOM 121 O ASP A 12 -3.332 -4.844 2.226 1.00 0.00 O ATOM 122 CB ASP A 12 -5.143 -3.866 4.760 1.00 0.00 C ATOM 123 CG ASP A 12 -6.599 -3.397 4.785 1.00 0.00 C ATOM 124 OD1 ASP A 12 -7.475 -4.252 4.531 1.00 0.00 O ATOM 125 OD2 ASP A 12 -6.803 -2.194 5.057 1.00 0.00 O ATOM 0 H ASP A 12 -5.370 -6.101 5.835 1.00 0.00 H new ATOM 0 HA ASP A 12 -5.655 -5.298 3.238 1.00 0.00 H new ATOM 0 HB2 ASP A 12 -4.796 -3.979 5.787 1.00 0.00 H new ATOM 0 HB3 ASP A 12 -4.534 -3.087 4.302 1.00 0.00 H new ATOM 130 N LEU A 13 -2.511 -5.402 4.258 1.00 0.00 N ATOM 131 CA LEU A 13 -1.124 -5.390 3.824 1.00 0.00 C ATOM 132 C LEU A 13 -0.947 -6.377 2.669 1.00 0.00 C ATOM 133 O LEU A 13 -0.750 -5.971 1.525 1.00 0.00 O ATOM 134 CB LEU A 13 -0.190 -5.653 5.007 1.00 0.00 C ATOM 135 CG LEU A 13 0.828 -4.554 5.315 1.00 0.00 C ATOM 136 CD1 LEU A 13 1.610 -4.873 6.591 1.00 0.00 C ATOM 137 CD2 LEU A 13 1.754 -4.314 4.121 1.00 0.00 C ATOM 0 H LEU A 13 -2.648 -5.635 5.241 1.00 0.00 H new ATOM 0 HA LEU A 13 -0.852 -4.405 3.446 1.00 0.00 H new ATOM 0 HB2 LEU A 13 -0.799 -5.816 5.896 1.00 0.00 H new ATOM 0 HB3 LEU A 13 0.352 -6.580 4.818 1.00 0.00 H new ATOM 0 HG LEU A 13 0.285 -3.626 5.493 1.00 0.00 H new ATOM 0 HD11 LEU A 13 2.327 -4.076 6.787 1.00 0.00 H new ATOM 0 HD12 LEU A 13 0.919 -4.954 7.430 1.00 0.00 H new ATOM 0 HD13 LEU A 13 2.142 -5.816 6.466 1.00 0.00 H new ATOM 0 HD21 LEU A 13 2.468 -3.528 4.367 1.00 0.00 H new ATOM 0 HD22 LEU A 13 2.292 -5.233 3.887 1.00 0.00 H new ATOM 0 HD23 LEU A 13 1.163 -4.010 3.257 1.00 0.00 H new ATOM 149 N LYS A 14 -1.023 -7.656 3.008 1.00 0.00 N ATOM 150 CA LYS A 14 -0.873 -8.704 2.014 1.00 0.00 C ATOM 151 C LYS A 14 -1.579 -8.282 0.724 1.00 0.00 C ATOM 152 O LYS A 14 -1.137 -8.626 -0.371 1.00 0.00 O ATOM 153 CB LYS A 14 -1.358 -10.044 2.571 1.00 0.00 C ATOM 154 CG LYS A 14 -0.186 -11.002 2.794 1.00 0.00 C ATOM 155 CD LYS A 14 -0.038 -11.971 1.619 1.00 0.00 C ATOM 156 CE LYS A 14 1.373 -11.906 1.029 1.00 0.00 C ATOM 157 NZ LYS A 14 1.481 -10.788 0.066 1.00 0.00 N ATOM 0 H LYS A 14 -1.187 -7.990 3.958 1.00 0.00 H new ATOM 0 HA LYS A 14 0.179 -8.849 1.769 1.00 0.00 H new ATOM 0 HB2 LYS A 14 -1.884 -9.882 3.512 1.00 0.00 H new ATOM 0 HB3 LYS A 14 -2.072 -10.492 1.880 1.00 0.00 H new ATOM 0 HG2 LYS A 14 0.735 -10.433 2.918 1.00 0.00 H new ATOM 0 HG3 LYS A 14 -0.341 -11.563 3.715 1.00 0.00 H new ATOM 0 HD2 LYS A 14 -0.250 -12.987 1.952 1.00 0.00 H new ATOM 0 HD3 LYS A 14 -0.770 -11.728 0.848 1.00 0.00 H new ATOM 0 HE2 LYS A 14 2.102 -11.777 1.829 1.00 0.00 H new ATOM 0 HE3 LYS A 14 1.609 -12.847 0.531 1.00 0.00 H new ATOM 0 HZ1 LYS A 14 2.262 -10.974 -0.595 1.00 0.00 H new ATOM 0 HZ2 LYS A 14 0.591 -10.700 -0.465 1.00 0.00 H new ATOM 0 HZ3 LYS A 14 1.666 -9.903 0.580 1.00 0.00 H new ATOM 171 N ALA A 15 -2.665 -7.543 0.896 1.00 0.00 N ATOM 172 CA ALA A 15 -3.437 -7.071 -0.241 1.00 0.00 C ATOM 173 C ALA A 15 -2.597 -6.076 -1.044 1.00 0.00 C ATOM 174 O ALA A 15 -2.399 -6.253 -2.245 1.00 0.00 O ATOM 175 CB ALA A 15 -4.751 -6.460 0.252 1.00 0.00 C ATOM 0 H ALA A 15 -3.029 -7.259 1.806 1.00 0.00 H new ATOM 0 HA ALA A 15 -3.690 -7.899 -0.903 1.00 0.00 H new ATOM 0 HB1 ALA A 15 -5.330 -6.106 -0.601 1.00 0.00 H new ATOM 0 HB2 ALA A 15 -5.323 -7.215 0.791 1.00 0.00 H new ATOM 0 HB3 ALA A 15 -4.536 -5.624 0.917 1.00 0.00 H new ATOM 181 N ILE A 16 -2.125 -5.052 -0.349 1.00 0.00 N ATOM 182 CA ILE A 16 -1.311 -4.029 -0.983 1.00 0.00 C ATOM 183 C ILE A 16 -0.115 -4.690 -1.672 1.00 0.00 C ATOM 184 O ILE A 16 0.166 -4.411 -2.837 1.00 0.00 O ATOM 185 CB ILE A 16 -0.918 -2.952 0.031 1.00 0.00 C ATOM 186 CG1 ILE A 16 -2.158 -2.315 0.661 1.00 0.00 C ATOM 187 CG2 ILE A 16 0.002 -1.909 -0.606 1.00 0.00 C ATOM 188 CD1 ILE A 16 -1.809 -1.627 1.983 1.00 0.00 C ATOM 0 H ILE A 16 -2.291 -4.909 0.647 1.00 0.00 H new ATOM 0 HA ILE A 16 -1.881 -3.514 -1.756 1.00 0.00 H new ATOM 0 HB ILE A 16 -0.356 -3.428 0.835 1.00 0.00 H new ATOM 0 HG12 ILE A 16 -2.588 -1.589 -0.029 1.00 0.00 H new ATOM 0 HG13 ILE A 16 -2.916 -3.079 0.833 1.00 0.00 H new ATOM 0 HG21 ILE A 16 0.266 -1.155 0.136 1.00 0.00 H new ATOM 0 HG22 ILE A 16 0.908 -2.395 -0.968 1.00 0.00 H new ATOM 0 HG23 ILE A 16 -0.512 -1.432 -1.441 1.00 0.00 H new ATOM 0 HD11 ILE A 16 -2.708 -1.182 2.410 1.00 0.00 H new ATOM 0 HD12 ILE A 16 -1.401 -2.361 2.678 1.00 0.00 H new ATOM 0 HD13 ILE A 16 -1.069 -0.847 1.803 1.00 0.00 H new ATOM 200 N GLN A 17 0.556 -5.552 -0.924 1.00 0.00 N ATOM 201 CA GLN A 17 1.715 -6.255 -1.448 1.00 0.00 C ATOM 202 C GLN A 17 1.413 -6.811 -2.841 1.00 0.00 C ATOM 203 O GLN A 17 2.144 -6.541 -3.793 1.00 0.00 O ATOM 204 CB GLN A 17 2.158 -7.369 -0.497 1.00 0.00 C ATOM 205 CG GLN A 17 3.612 -7.175 -0.065 1.00 0.00 C ATOM 206 CD GLN A 17 4.542 -8.124 -0.823 1.00 0.00 C ATOM 207 OE1 GLN A 17 5.354 -7.515 -1.683 1.00 0.00 O flip ATOM 208 NE2 GLN A 17 4.523 -9.330 -0.641 1.00 0.00 N flip ATOM 0 H GLN A 17 0.320 -5.780 0.042 1.00 0.00 H new ATOM 0 HA GLN A 17 2.538 -5.546 -1.532 1.00 0.00 H new ATOM 0 HB2 GLN A 17 1.512 -7.380 0.381 1.00 0.00 H new ATOM 0 HB3 GLN A 17 2.046 -8.336 -0.987 1.00 0.00 H new ATOM 0 HG2 GLN A 17 3.914 -6.143 -0.246 1.00 0.00 H new ATOM 0 HG3 GLN A 17 3.703 -7.351 1.007 1.00 0.00 H new ATOM 0 HE21 GLN A 17 3.874 -9.734 0.035 1.00 0.00 H new ATOM 0 HE22 GLN A 17 5.156 -9.935 -1.165 1.00 0.00 H new ATOM 217 N ASP A 18 0.335 -7.577 -2.917 1.00 0.00 N ATOM 218 CA ASP A 18 -0.073 -8.173 -4.178 1.00 0.00 C ATOM 219 C ASP A 18 -0.146 -7.085 -5.251 1.00 0.00 C ATOM 220 O ASP A 18 0.224 -7.318 -6.401 1.00 0.00 O ATOM 221 CB ASP A 18 -1.457 -8.815 -4.061 1.00 0.00 C ATOM 222 CG ASP A 18 -1.647 -10.095 -4.879 1.00 0.00 C ATOM 223 OD1 ASP A 18 -0.628 -10.584 -5.412 1.00 0.00 O ATOM 224 OD2 ASP A 18 -2.807 -10.554 -4.952 1.00 0.00 O ATOM 0 H ASP A 18 -0.269 -7.799 -2.125 1.00 0.00 H new ATOM 0 HA ASP A 18 0.658 -8.937 -4.442 1.00 0.00 H new ATOM 0 HB2 ASP A 18 -1.649 -9.040 -3.012 1.00 0.00 H new ATOM 0 HB3 ASP A 18 -2.206 -8.087 -4.373 1.00 0.00 H new ATOM 229 N MET A 19 -0.625 -5.921 -4.838 1.00 0.00 N ATOM 230 CA MET A 19 -0.750 -4.797 -5.750 1.00 0.00 C ATOM 231 C MET A 19 0.611 -4.152 -6.015 1.00 0.00 C ATOM 232 O MET A 19 0.879 -3.693 -7.125 1.00 0.00 O ATOM 233 CB MET A 19 -1.700 -3.758 -5.151 1.00 0.00 C ATOM 234 CG MET A 19 -3.160 -4.177 -5.339 1.00 0.00 C ATOM 235 SD MET A 19 -3.891 -3.257 -6.682 1.00 0.00 S ATOM 236 CE MET A 19 -3.957 -1.632 -5.946 1.00 0.00 C ATOM 0 H MET A 19 -0.931 -5.732 -3.884 1.00 0.00 H new ATOM 0 HA MET A 19 -1.147 -5.163 -6.697 1.00 0.00 H new ATOM 0 HB2 MET A 19 -1.487 -3.635 -4.089 1.00 0.00 H new ATOM 0 HB3 MET A 19 -1.532 -2.791 -5.624 1.00 0.00 H new ATOM 0 HG2 MET A 19 -3.216 -5.246 -5.546 1.00 0.00 H new ATOM 0 HG3 MET A 19 -3.719 -4.001 -4.420 1.00 0.00 H new ATOM 0 HE1 MET A 19 -4.793 -1.075 -6.369 1.00 0.00 H new ATOM 0 HE2 MET A 19 -4.092 -1.726 -4.868 1.00 0.00 H new ATOM 0 HE3 MET A 19 -3.027 -1.102 -6.150 1.00 0.00 H new ATOM 246 N PHE A 20 1.436 -4.137 -4.978 1.00 0.00 N ATOM 247 CA PHE A 20 2.763 -3.555 -5.085 1.00 0.00 C ATOM 248 C PHE A 20 3.824 -4.502 -4.522 1.00 0.00 C ATOM 249 O PHE A 20 4.297 -4.315 -3.402 1.00 0.00 O ATOM 250 CB PHE A 20 2.755 -2.267 -4.259 1.00 0.00 C ATOM 251 CG PHE A 20 1.696 -1.254 -4.696 1.00 0.00 C ATOM 252 CD1 PHE A 20 1.718 -0.749 -5.959 1.00 0.00 C ATOM 253 CD2 PHE A 20 0.732 -0.857 -3.822 1.00 0.00 C ATOM 254 CE1 PHE A 20 0.736 0.192 -6.365 1.00 0.00 C ATOM 255 CE2 PHE A 20 -0.251 0.084 -4.228 1.00 0.00 C ATOM 256 CZ PHE A 20 -0.228 0.589 -5.491 1.00 0.00 C ATOM 0 H PHE A 20 1.211 -4.519 -4.059 1.00 0.00 H new ATOM 0 HA PHE A 20 3.003 -3.365 -6.131 1.00 0.00 H new ATOM 0 HB2 PHE A 20 2.590 -2.520 -3.212 1.00 0.00 H new ATOM 0 HB3 PHE A 20 3.738 -1.800 -4.323 1.00 0.00 H new ATOM 0 HD1 PHE A 20 2.483 -1.064 -6.653 1.00 0.00 H new ATOM 0 HD2 PHE A 20 0.714 -1.258 -2.819 1.00 0.00 H new ATOM 0 HE1 PHE A 20 0.754 0.593 -7.368 1.00 0.00 H new ATOM 0 HE2 PHE A 20 -1.017 0.399 -3.534 1.00 0.00 H new ATOM 0 HZ PHE A 20 -0.975 1.305 -5.800 1.00 0.00 H new ATOM 266 N PRO A 21 4.176 -5.526 -5.345 1.00 0.00 N ATOM 267 CA PRO A 21 5.173 -6.503 -4.940 1.00 0.00 C ATOM 268 C PRO A 21 6.582 -5.912 -5.015 1.00 0.00 C ATOM 269 O PRO A 21 7.334 -5.967 -4.044 1.00 0.00 O ATOM 270 CB PRO A 21 4.972 -7.681 -5.879 1.00 0.00 C ATOM 271 CG PRO A 21 4.191 -7.140 -7.066 1.00 0.00 C ATOM 272 CD PRO A 21 3.637 -5.779 -6.678 1.00 0.00 C ATOM 0 HA PRO A 21 5.060 -6.814 -3.902 1.00 0.00 H new ATOM 0 HB2 PRO A 21 5.929 -8.095 -6.197 1.00 0.00 H new ATOM 0 HB3 PRO A 21 4.426 -8.485 -5.386 1.00 0.00 H new ATOM 0 HG2 PRO A 21 4.836 -7.054 -7.940 1.00 0.00 H new ATOM 0 HG3 PRO A 21 3.382 -7.820 -7.332 1.00 0.00 H new ATOM 0 HD2 PRO A 21 3.948 -5.009 -7.384 1.00 0.00 H new ATOM 0 HD3 PRO A 21 2.547 -5.783 -6.670 1.00 0.00 H new ATOM 280 N ASN A 22 6.897 -5.359 -6.177 1.00 0.00 N ATOM 281 CA ASN A 22 8.202 -4.758 -6.391 1.00 0.00 C ATOM 282 C ASN A 22 8.568 -3.898 -5.180 1.00 0.00 C ATOM 283 O ASN A 22 9.735 -3.820 -4.800 1.00 0.00 O ATOM 284 CB ASN A 22 8.198 -3.857 -7.628 1.00 0.00 C ATOM 285 CG ASN A 22 7.057 -2.840 -7.560 1.00 0.00 C ATOM 286 OD1 ASN A 22 7.196 -1.746 -7.037 1.00 0.00 O ATOM 287 ND2 ASN A 22 5.924 -3.259 -8.117 1.00 0.00 N ATOM 0 H ASN A 22 6.270 -5.315 -6.981 1.00 0.00 H new ATOM 0 HA ASN A 22 8.924 -5.562 -6.534 1.00 0.00 H new ATOM 0 HB2 ASN A 22 9.152 -3.335 -7.705 1.00 0.00 H new ATOM 0 HB3 ASN A 22 8.094 -4.466 -8.526 1.00 0.00 H new ATOM 0 HD21 ASN A 22 5.104 -2.652 -8.123 1.00 0.00 H new ATOM 0 HD22 ASN A 22 5.875 -4.187 -8.538 1.00 0.00 H new ATOM 294 N MET A 23 7.548 -3.274 -4.608 1.00 0.00 N ATOM 295 CA MET A 23 7.748 -2.423 -3.448 1.00 0.00 C ATOM 296 C MET A 23 8.364 -3.210 -2.290 1.00 0.00 C ATOM 297 O MET A 23 8.377 -4.440 -2.307 1.00 0.00 O ATOM 298 CB MET A 23 6.405 -1.835 -3.009 1.00 0.00 C ATOM 299 CG MET A 23 6.008 -0.653 -3.896 1.00 0.00 C ATOM 300 SD MET A 23 4.756 0.326 -3.084 1.00 0.00 S ATOM 301 CE MET A 23 5.709 0.982 -1.725 1.00 0.00 C ATOM 0 H MET A 23 6.581 -3.341 -4.927 1.00 0.00 H new ATOM 0 HA MET A 23 8.434 -1.621 -3.723 1.00 0.00 H new ATOM 0 HB2 MET A 23 5.634 -2.604 -3.056 1.00 0.00 H new ATOM 0 HB3 MET A 23 6.468 -1.510 -1.971 1.00 0.00 H new ATOM 0 HG2 MET A 23 6.882 -0.037 -4.108 1.00 0.00 H new ATOM 0 HG3 MET A 23 5.634 -1.016 -4.853 1.00 0.00 H new ATOM 0 HE1 MET A 23 5.437 0.463 -0.806 1.00 0.00 H new ATOM 0 HE2 MET A 23 6.771 0.837 -1.922 1.00 0.00 H new ATOM 0 HE3 MET A 23 5.502 2.047 -1.616 1.00 0.00 H new ATOM 311 N ASP A 24 8.859 -2.468 -1.310 1.00 0.00 N ATOM 312 CA ASP A 24 9.475 -3.081 -0.145 1.00 0.00 C ATOM 313 C ASP A 24 8.486 -3.058 1.021 1.00 0.00 C ATOM 314 O ASP A 24 7.870 -2.029 1.297 1.00 0.00 O ATOM 315 CB ASP A 24 10.729 -2.316 0.282 1.00 0.00 C ATOM 316 CG ASP A 24 11.919 -3.192 0.678 1.00 0.00 C ATOM 317 OD1 ASP A 24 11.840 -3.796 1.770 1.00 0.00 O ATOM 318 OD2 ASP A 24 12.880 -3.238 -0.120 1.00 0.00 O ATOM 0 H ASP A 24 8.846 -1.448 -1.299 1.00 0.00 H new ATOM 0 HA ASP A 24 9.749 -4.103 -0.407 1.00 0.00 H new ATOM 0 HB2 ASP A 24 11.034 -1.664 -0.536 1.00 0.00 H new ATOM 0 HB3 ASP A 24 10.474 -1.673 1.125 1.00 0.00 H new ATOM 323 N GLN A 25 8.365 -4.203 1.676 1.00 0.00 N ATOM 324 CA GLN A 25 7.461 -4.327 2.807 1.00 0.00 C ATOM 325 C GLN A 25 7.648 -3.150 3.767 1.00 0.00 C ATOM 326 O GLN A 25 6.724 -2.367 3.983 1.00 0.00 O ATOM 327 CB GLN A 25 7.664 -5.661 3.528 1.00 0.00 C ATOM 328 CG GLN A 25 6.876 -6.779 2.844 1.00 0.00 C ATOM 329 CD GLN A 25 6.133 -7.635 3.872 1.00 0.00 C ATOM 330 OE1 GLN A 25 6.713 -8.431 4.591 1.00 0.00 O ATOM 331 NE2 GLN A 25 4.820 -7.426 3.901 1.00 0.00 N ATOM 0 H GLN A 25 8.878 -5.054 1.445 1.00 0.00 H new ATOM 0 HA GLN A 25 6.437 -4.307 2.433 1.00 0.00 H new ATOM 0 HB2 GLN A 25 8.724 -5.914 3.541 1.00 0.00 H new ATOM 0 HB3 GLN A 25 7.345 -5.569 4.566 1.00 0.00 H new ATOM 0 HG2 GLN A 25 6.163 -6.348 2.141 1.00 0.00 H new ATOM 0 HG3 GLN A 25 7.555 -7.406 2.266 1.00 0.00 H new ATOM 0 HE21 GLN A 25 4.398 -6.744 3.271 1.00 0.00 H new ATOM 0 HE22 GLN A 25 4.235 -7.948 4.553 1.00 0.00 H new ATOM 340 N GLU A 26 8.850 -3.063 4.318 1.00 0.00 N ATOM 341 CA GLU A 26 9.171 -1.995 5.250 1.00 0.00 C ATOM 342 C GLU A 26 8.530 -0.683 4.794 1.00 0.00 C ATOM 343 O GLU A 26 8.014 0.077 5.612 1.00 0.00 O ATOM 344 CB GLU A 26 10.684 -1.841 5.408 1.00 0.00 C ATOM 345 CG GLU A 26 11.246 -2.893 6.367 1.00 0.00 C ATOM 346 CD GLU A 26 11.572 -2.275 7.728 1.00 0.00 C ATOM 347 OE1 GLU A 26 12.043 -1.117 7.728 1.00 0.00 O ATOM 348 OE2 GLU A 26 11.342 -2.975 8.738 1.00 0.00 O ATOM 0 H GLU A 26 9.613 -3.715 4.137 1.00 0.00 H new ATOM 0 HA GLU A 26 8.763 -2.256 6.226 1.00 0.00 H new ATOM 0 HB2 GLU A 26 11.166 -1.936 4.435 1.00 0.00 H new ATOM 0 HB3 GLU A 26 10.914 -0.843 5.782 1.00 0.00 H new ATOM 0 HG2 GLU A 26 10.523 -3.699 6.493 1.00 0.00 H new ATOM 0 HG3 GLU A 26 12.146 -3.336 5.940 1.00 0.00 H new ATOM 355 N VAL A 27 8.584 -0.457 3.490 1.00 0.00 N ATOM 356 CA VAL A 27 8.016 0.751 2.916 1.00 0.00 C ATOM 357 C VAL A 27 6.489 0.664 2.965 1.00 0.00 C ATOM 358 O VAL A 27 5.834 1.519 3.561 1.00 0.00 O ATOM 359 CB VAL A 27 8.557 0.962 1.500 1.00 0.00 C ATOM 360 CG1 VAL A 27 7.948 2.212 0.861 1.00 0.00 C ATOM 361 CG2 VAL A 27 10.085 1.035 1.502 1.00 0.00 C ATOM 0 H VAL A 27 9.012 -1.090 2.814 1.00 0.00 H new ATOM 0 HA VAL A 27 8.311 1.625 3.496 1.00 0.00 H new ATOM 0 HB VAL A 27 8.264 0.102 0.898 1.00 0.00 H new ATOM 0 HG11 VAL A 27 8.349 2.339 -0.145 1.00 0.00 H new ATOM 0 HG12 VAL A 27 6.865 2.103 0.808 1.00 0.00 H new ATOM 0 HG13 VAL A 27 8.196 3.086 1.463 1.00 0.00 H new ATOM 0 HG21 VAL A 27 10.443 1.185 0.484 1.00 0.00 H new ATOM 0 HG22 VAL A 27 10.409 1.867 2.127 1.00 0.00 H new ATOM 0 HG23 VAL A 27 10.493 0.105 1.897 1.00 0.00 H new ATOM 371 N ILE A 28 5.966 -0.375 2.332 1.00 0.00 N ATOM 372 CA ILE A 28 4.529 -0.584 2.297 1.00 0.00 C ATOM 373 C ILE A 28 3.946 -0.330 3.688 1.00 0.00 C ATOM 374 O ILE A 28 3.003 0.444 3.838 1.00 0.00 O ATOM 375 CB ILE A 28 4.202 -1.971 1.737 1.00 0.00 C ATOM 376 CG1 ILE A 28 4.460 -2.028 0.230 1.00 0.00 C ATOM 377 CG2 ILE A 28 2.772 -2.382 2.091 1.00 0.00 C ATOM 378 CD1 ILE A 28 4.426 -3.471 -0.277 1.00 0.00 C ATOM 0 H ILE A 28 6.512 -1.082 1.839 1.00 0.00 H new ATOM 0 HA ILE A 28 4.058 0.128 1.619 1.00 0.00 H new ATOM 0 HB ILE A 28 4.869 -2.695 2.205 1.00 0.00 H new ATOM 0 HG12 ILE A 28 3.709 -1.437 -0.294 1.00 0.00 H new ATOM 0 HG13 ILE A 28 5.429 -1.583 0.006 1.00 0.00 H new ATOM 0 HG21 ILE A 28 2.566 -3.371 1.681 1.00 0.00 H new ATOM 0 HG22 ILE A 28 2.658 -2.407 3.175 1.00 0.00 H new ATOM 0 HG23 ILE A 28 2.071 -1.661 1.670 1.00 0.00 H new ATOM 0 HD11 ILE A 28 4.612 -3.484 -1.351 1.00 0.00 H new ATOM 0 HD12 ILE A 28 5.194 -4.053 0.231 1.00 0.00 H new ATOM 0 HD13 ILE A 28 3.447 -3.905 -0.073 1.00 0.00 H new ATOM 390 N ARG A 29 4.533 -0.998 4.671 1.00 0.00 N ATOM 391 CA ARG A 29 4.084 -0.854 6.046 1.00 0.00 C ATOM 392 C ARG A 29 4.247 0.595 6.508 1.00 0.00 C ATOM 393 O ARG A 29 3.334 1.169 7.099 1.00 0.00 O ATOM 394 CB ARG A 29 4.872 -1.773 6.981 1.00 0.00 C ATOM 395 CG ARG A 29 4.960 -3.190 6.412 1.00 0.00 C ATOM 396 CD ARG A 29 5.023 -4.229 7.534 1.00 0.00 C ATOM 397 NE ARG A 29 3.883 -4.044 8.460 1.00 0.00 N ATOM 398 CZ ARG A 29 3.690 -4.772 9.568 1.00 0.00 C ATOM 399 NH1 ARG A 29 4.559 -5.738 9.895 1.00 0.00 N ATOM 400 NH2 ARG A 29 2.627 -4.533 10.349 1.00 0.00 N ATOM 0 H ARG A 29 5.315 -1.640 4.543 1.00 0.00 H new ATOM 0 HA ARG A 29 3.031 -1.134 6.083 1.00 0.00 H new ATOM 0 HB2 ARG A 29 5.875 -1.374 7.128 1.00 0.00 H new ATOM 0 HB3 ARG A 29 4.393 -1.799 7.960 1.00 0.00 H new ATOM 0 HG2 ARG A 29 4.095 -3.386 5.779 1.00 0.00 H new ATOM 0 HG3 ARG A 29 5.844 -3.278 5.780 1.00 0.00 H new ATOM 0 HD2 ARG A 29 5.000 -5.234 7.112 1.00 0.00 H new ATOM 0 HD3 ARG A 29 5.963 -4.133 8.077 1.00 0.00 H new ATOM 0 HE ARG A 29 3.202 -3.317 8.241 1.00 0.00 H new ATOM 0 HH11 ARG A 29 5.368 -5.919 9.300 1.00 0.00 H new ATOM 0 HH12 ARG A 29 4.412 -6.292 10.739 1.00 0.00 H new ATOM 0 HH21 ARG A 29 1.966 -3.797 10.099 1.00 0.00 H new ATOM 0 HH22 ARG A 29 2.479 -5.087 11.193 1.00 0.00 H new ATOM 414 N SER A 30 5.418 1.146 6.222 1.00 0.00 N ATOM 415 CA SER A 30 5.713 2.517 6.602 1.00 0.00 C ATOM 416 C SER A 30 4.598 3.446 6.116 1.00 0.00 C ATOM 417 O SER A 30 4.429 4.546 6.640 1.00 0.00 O ATOM 418 CB SER A 30 7.062 2.967 6.037 1.00 0.00 C ATOM 419 OG SER A 30 8.153 2.506 6.830 1.00 0.00 O ATOM 0 H SER A 30 6.174 0.667 5.731 1.00 0.00 H new ATOM 0 HA SER A 30 5.770 2.566 7.689 1.00 0.00 H new ATOM 0 HB2 SER A 30 7.171 2.594 5.019 1.00 0.00 H new ATOM 0 HB3 SER A 30 7.088 4.055 5.983 1.00 0.00 H new ATOM 0 HG SER A 30 8.365 1.580 6.588 1.00 0.00 H new ATOM 425 N VAL A 31 3.866 2.969 5.120 1.00 0.00 N ATOM 426 CA VAL A 31 2.772 3.742 4.558 1.00 0.00 C ATOM 427 C VAL A 31 1.475 3.388 5.287 1.00 0.00 C ATOM 428 O VAL A 31 0.800 4.265 5.824 1.00 0.00 O ATOM 429 CB VAL A 31 2.691 3.513 3.047 1.00 0.00 C ATOM 430 CG1 VAL A 31 1.434 4.159 2.461 1.00 0.00 C ATOM 431 CG2 VAL A 31 3.950 4.027 2.346 1.00 0.00 C ATOM 0 H VAL A 31 4.009 2.056 4.688 1.00 0.00 H new ATOM 0 HA VAL A 31 2.945 4.808 4.703 1.00 0.00 H new ATOM 0 HB VAL A 31 2.627 2.439 2.874 1.00 0.00 H new ATOM 0 HG11 VAL A 31 1.401 3.981 1.386 1.00 0.00 H new ATOM 0 HG12 VAL A 31 0.550 3.724 2.928 1.00 0.00 H new ATOM 0 HG13 VAL A 31 1.454 5.232 2.651 1.00 0.00 H new ATOM 0 HG21 VAL A 31 3.866 3.852 1.273 1.00 0.00 H new ATOM 0 HG22 VAL A 31 4.059 5.095 2.532 1.00 0.00 H new ATOM 0 HG23 VAL A 31 4.822 3.500 2.733 1.00 0.00 H new ATOM 441 N LEU A 32 1.164 2.100 5.283 1.00 0.00 N ATOM 442 CA LEU A 32 -0.040 1.618 5.938 1.00 0.00 C ATOM 443 C LEU A 32 -0.056 2.102 7.389 1.00 0.00 C ATOM 444 O LEU A 32 -1.096 2.517 7.898 1.00 0.00 O ATOM 445 CB LEU A 32 -0.157 0.099 5.795 1.00 0.00 C ATOM 446 CG LEU A 32 -1.139 -0.590 6.744 1.00 0.00 C ATOM 447 CD1 LEU A 32 -2.571 -0.500 6.212 1.00 0.00 C ATOM 448 CD2 LEU A 32 -0.718 -2.036 7.014 1.00 0.00 C ATOM 0 H LEU A 32 1.725 1.375 4.836 1.00 0.00 H new ATOM 0 HA LEU A 32 -0.926 2.030 5.455 1.00 0.00 H new ATOM 0 HB2 LEU A 32 -0.453 -0.128 4.771 1.00 0.00 H new ATOM 0 HB3 LEU A 32 0.830 -0.337 5.946 1.00 0.00 H new ATOM 0 HG LEU A 32 -1.117 -0.064 7.699 1.00 0.00 H new ATOM 0 HD11 LEU A 32 -3.249 -0.998 6.906 1.00 0.00 H new ATOM 0 HD12 LEU A 32 -2.857 0.547 6.113 1.00 0.00 H new ATOM 0 HD13 LEU A 32 -2.628 -0.985 5.238 1.00 0.00 H new ATOM 0 HD21 LEU A 32 -1.433 -2.503 7.691 1.00 0.00 H new ATOM 0 HD22 LEU A 32 -0.693 -2.589 6.075 1.00 0.00 H new ATOM 0 HD23 LEU A 32 0.273 -2.048 7.468 1.00 0.00 H new ATOM 460 N GLU A 33 1.110 2.033 8.014 1.00 0.00 N ATOM 461 CA GLU A 33 1.244 2.460 9.397 1.00 0.00 C ATOM 462 C GLU A 33 1.182 3.986 9.490 1.00 0.00 C ATOM 463 O GLU A 33 0.580 4.530 10.414 1.00 0.00 O ATOM 464 CB GLU A 33 2.539 1.925 10.013 1.00 0.00 C ATOM 465 CG GLU A 33 2.278 0.648 10.815 1.00 0.00 C ATOM 466 CD GLU A 33 2.185 0.951 12.312 1.00 0.00 C ATOM 467 OE1 GLU A 33 1.396 1.856 12.660 1.00 0.00 O ATOM 468 OE2 GLU A 33 2.904 0.269 13.074 1.00 0.00 O ATOM 0 H GLU A 33 1.971 1.688 7.589 1.00 0.00 H new ATOM 0 HA GLU A 33 0.412 2.047 9.967 1.00 0.00 H new ATOM 0 HB2 GLU A 33 3.264 1.722 9.225 1.00 0.00 H new ATOM 0 HB3 GLU A 33 2.978 2.683 10.662 1.00 0.00 H new ATOM 0 HG2 GLU A 33 1.352 0.184 10.476 1.00 0.00 H new ATOM 0 HG3 GLU A 33 3.079 -0.069 10.634 1.00 0.00 H new ATOM 475 N ALA A 34 1.812 4.632 8.521 1.00 0.00 N ATOM 476 CA ALA A 34 1.836 6.084 8.482 1.00 0.00 C ATOM 477 C ALA A 34 0.443 6.603 8.120 1.00 0.00 C ATOM 478 O ALA A 34 0.112 7.754 8.405 1.00 0.00 O ATOM 479 CB ALA A 34 2.907 6.552 7.494 1.00 0.00 C ATOM 0 H ALA A 34 2.310 4.177 7.756 1.00 0.00 H new ATOM 0 HA ALA A 34 2.096 6.489 9.460 1.00 0.00 H new ATOM 0 HB1 ALA A 34 2.924 7.641 7.465 1.00 0.00 H new ATOM 0 HB2 ALA A 34 3.882 6.182 7.812 1.00 0.00 H new ATOM 0 HB3 ALA A 34 2.679 6.166 6.500 1.00 0.00 H new ATOM 485 N GLN A 35 -0.336 5.730 7.499 1.00 0.00 N ATOM 486 CA GLN A 35 -1.686 6.086 7.096 1.00 0.00 C ATOM 487 C GLN A 35 -2.699 5.575 8.122 1.00 0.00 C ATOM 488 O GLN A 35 -3.858 5.332 7.788 1.00 0.00 O ATOM 489 CB GLN A 35 -2.001 5.547 5.699 1.00 0.00 C ATOM 490 CG GLN A 35 -1.141 6.236 4.638 1.00 0.00 C ATOM 491 CD GLN A 35 -1.339 7.753 4.672 1.00 0.00 C ATOM 492 OE1 GLN A 35 -2.445 8.258 4.762 1.00 0.00 O ATOM 493 NE2 GLN A 35 -0.207 8.448 4.596 1.00 0.00 N ATOM 0 H GLN A 35 -0.058 4.777 7.265 1.00 0.00 H new ATOM 0 HA GLN A 35 -1.757 7.173 7.055 1.00 0.00 H new ATOM 0 HB2 GLN A 35 -1.825 4.472 5.672 1.00 0.00 H new ATOM 0 HB3 GLN A 35 -3.056 5.703 5.475 1.00 0.00 H new ATOM 0 HG2 GLN A 35 -0.090 5.999 4.806 1.00 0.00 H new ATOM 0 HG3 GLN A 35 -1.400 5.854 3.651 1.00 0.00 H new ATOM 0 HE21 GLN A 35 0.686 7.961 4.522 1.00 0.00 H new ATOM 0 HE22 GLN A 35 -0.233 9.468 4.612 1.00 0.00 H new ATOM 502 N ARG A 36 -2.225 5.426 9.350 1.00 0.00 N ATOM 503 CA ARG A 36 -3.075 4.948 10.428 1.00 0.00 C ATOM 504 C ARG A 36 -3.741 3.628 10.033 1.00 0.00 C ATOM 505 O ARG A 36 -4.960 3.494 10.119 1.00 0.00 O ATOM 506 CB ARG A 36 -4.156 5.974 10.772 1.00 0.00 C ATOM 507 CG ARG A 36 -3.609 7.054 11.707 1.00 0.00 C ATOM 508 CD ARG A 36 -4.712 8.028 12.125 1.00 0.00 C ATOM 509 NE ARG A 36 -4.842 8.043 13.600 1.00 0.00 N ATOM 510 CZ ARG A 36 -5.765 8.751 14.265 1.00 0.00 C ATOM 511 NH1 ARG A 36 -6.645 9.504 13.592 1.00 0.00 N ATOM 512 NH2 ARG A 36 -5.808 8.704 15.604 1.00 0.00 N ATOM 0 H ARG A 36 -1.263 5.628 9.623 1.00 0.00 H new ATOM 0 HA ARG A 36 -2.445 4.793 11.304 1.00 0.00 H new ATOM 0 HB2 ARG A 36 -4.529 6.435 9.857 1.00 0.00 H new ATOM 0 HB3 ARG A 36 -5.001 5.473 11.244 1.00 0.00 H new ATOM 0 HG2 ARG A 36 -3.176 6.588 12.592 1.00 0.00 H new ATOM 0 HG3 ARG A 36 -2.807 7.599 11.209 1.00 0.00 H new ATOM 0 HD2 ARG A 36 -4.481 9.029 11.762 1.00 0.00 H new ATOM 0 HD3 ARG A 36 -5.659 7.735 11.671 1.00 0.00 H new ATOM 0 HE ARG A 36 -4.188 7.479 14.144 1.00 0.00 H new ATOM 0 HH11 ARG A 36 -6.613 9.538 12.573 1.00 0.00 H new ATOM 0 HH12 ARG A 36 -7.348 10.043 14.098 1.00 0.00 H new ATOM 0 HH21 ARG A 36 -5.138 8.130 16.116 1.00 0.00 H new ATOM 0 HH22 ARG A 36 -6.510 9.243 16.111 1.00 0.00 H new ATOM 526 N GLY A 37 -2.910 2.687 9.607 1.00 0.00 N ATOM 527 CA GLY A 37 -3.404 1.383 9.199 1.00 0.00 C ATOM 528 C GLY A 37 -4.521 1.519 8.162 1.00 0.00 C ATOM 529 O GLY A 37 -5.626 1.020 8.367 1.00 0.00 O ATOM 0 H GLY A 37 -1.899 2.802 9.536 1.00 0.00 H new ATOM 0 HA2 GLY A 37 -2.586 0.794 8.783 1.00 0.00 H new ATOM 0 HA3 GLY A 37 -3.775 0.842 10.070 1.00 0.00 H new ATOM 533 N ASN A 38 -4.194 2.197 7.072 1.00 0.00 N ATOM 534 CA ASN A 38 -5.156 2.406 6.003 1.00 0.00 C ATOM 535 C ASN A 38 -4.568 1.893 4.687 1.00 0.00 C ATOM 536 O ASN A 38 -3.399 2.136 4.389 1.00 0.00 O ATOM 537 CB ASN A 38 -5.475 3.892 5.832 1.00 0.00 C ATOM 538 CG ASN A 38 -6.720 4.089 4.964 1.00 0.00 C ATOM 539 OD1 ASN A 38 -7.039 3.288 4.101 1.00 0.00 O ATOM 540 ND2 ASN A 38 -7.402 5.196 5.240 1.00 0.00 N ATOM 0 H ASN A 38 -3.276 2.609 6.906 1.00 0.00 H new ATOM 0 HA ASN A 38 -6.069 1.869 6.261 1.00 0.00 H new ATOM 0 HB2 ASN A 38 -5.633 4.349 6.809 1.00 0.00 H new ATOM 0 HB3 ASN A 38 -4.625 4.400 5.376 1.00 0.00 H new ATOM 0 HD21 ASN A 38 -8.248 5.418 4.716 1.00 0.00 H new ATOM 0 HD22 ASN A 38 -7.079 5.824 5.976 1.00 0.00 H new ATOM 547 N LYS A 39 -5.405 1.194 3.934 1.00 0.00 N ATOM 548 CA LYS A 39 -4.983 0.646 2.657 1.00 0.00 C ATOM 549 C LYS A 39 -5.227 1.681 1.557 1.00 0.00 C ATOM 550 O LYS A 39 -4.347 1.941 0.738 1.00 0.00 O ATOM 551 CB LYS A 39 -5.666 -0.699 2.399 1.00 0.00 C ATOM 552 CG LYS A 39 -5.342 -1.218 0.996 1.00 0.00 C ATOM 553 CD LYS A 39 -6.596 -1.767 0.313 1.00 0.00 C ATOM 554 CE LYS A 39 -6.245 -2.913 -0.638 1.00 0.00 C ATOM 555 NZ LYS A 39 -7.471 -3.614 -1.080 1.00 0.00 N ATOM 0 H LYS A 39 -6.374 0.995 4.184 1.00 0.00 H new ATOM 0 HA LYS A 39 -3.913 0.437 2.667 1.00 0.00 H new ATOM 0 HB2 LYS A 39 -5.340 -1.425 3.144 1.00 0.00 H new ATOM 0 HB3 LYS A 39 -6.745 -0.590 2.510 1.00 0.00 H new ATOM 0 HG2 LYS A 39 -4.919 -0.413 0.395 1.00 0.00 H new ATOM 0 HG3 LYS A 39 -4.586 -2.000 1.059 1.00 0.00 H new ATOM 0 HD2 LYS A 39 -7.301 -2.118 1.067 1.00 0.00 H new ATOM 0 HD3 LYS A 39 -7.092 -0.969 -0.240 1.00 0.00 H new ATOM 0 HE2 LYS A 39 -5.709 -2.524 -1.504 1.00 0.00 H new ATOM 0 HE3 LYS A 39 -5.577 -3.615 -0.139 1.00 0.00 H new ATOM 0 HZ1 LYS A 39 -7.215 -4.389 -1.725 1.00 0.00 H new ATOM 0 HZ2 LYS A 39 -7.967 -4.002 -0.252 1.00 0.00 H new ATOM 0 HZ3 LYS A 39 -8.095 -2.944 -1.574 1.00 0.00 H new ATOM 569 N ASP A 40 -6.427 2.243 1.573 1.00 0.00 N ATOM 570 CA ASP A 40 -6.798 3.244 0.588 1.00 0.00 C ATOM 571 C ASP A 40 -5.801 4.404 0.644 1.00 0.00 C ATOM 572 O ASP A 40 -5.168 4.732 -0.358 1.00 0.00 O ATOM 573 CB ASP A 40 -8.193 3.805 0.871 1.00 0.00 C ATOM 574 CG ASP A 40 -9.352 2.926 0.397 1.00 0.00 C ATOM 575 OD1 ASP A 40 -9.555 2.870 -0.835 1.00 0.00 O ATOM 576 OD2 ASP A 40 -10.008 2.330 1.278 1.00 0.00 O ATOM 0 H ASP A 40 -7.155 2.024 2.253 1.00 0.00 H new ATOM 0 HA ASP A 40 -6.793 2.769 -0.393 1.00 0.00 H new ATOM 0 HB2 ASP A 40 -8.293 3.964 1.945 1.00 0.00 H new ATOM 0 HB3 ASP A 40 -8.279 4.782 0.394 1.00 0.00 H new ATOM 581 N ALA A 41 -5.694 4.992 1.826 1.00 0.00 N ATOM 582 CA ALA A 41 -4.785 6.108 2.026 1.00 0.00 C ATOM 583 C ALA A 41 -3.364 5.676 1.657 1.00 0.00 C ATOM 584 O ALA A 41 -2.614 6.444 1.057 1.00 0.00 O ATOM 585 CB ALA A 41 -4.888 6.598 3.472 1.00 0.00 C ATOM 0 H ALA A 41 -6.221 4.717 2.655 1.00 0.00 H new ATOM 0 HA ALA A 41 -5.054 6.943 1.379 1.00 0.00 H new ATOM 0 HB1 ALA A 41 -4.206 7.435 3.622 1.00 0.00 H new ATOM 0 HB2 ALA A 41 -5.909 6.921 3.675 1.00 0.00 H new ATOM 0 HB3 ALA A 41 -4.622 5.787 4.151 1.00 0.00 H new ATOM 591 N ALA A 42 -3.037 4.448 2.032 1.00 0.00 N ATOM 592 CA ALA A 42 -1.720 3.905 1.748 1.00 0.00 C ATOM 593 C ALA A 42 -1.529 3.808 0.234 1.00 0.00 C ATOM 594 O ALA A 42 -0.626 4.431 -0.323 1.00 0.00 O ATOM 595 CB ALA A 42 -1.566 2.550 2.443 1.00 0.00 C ATOM 0 H ALA A 42 -3.662 3.814 2.530 1.00 0.00 H new ATOM 0 HA ALA A 42 -0.942 4.562 2.137 1.00 0.00 H new ATOM 0 HB1 ALA A 42 -0.578 2.142 2.230 1.00 0.00 H new ATOM 0 HB2 ALA A 42 -1.682 2.678 3.519 1.00 0.00 H new ATOM 0 HB3 ALA A 42 -2.329 1.864 2.075 1.00 0.00 H new ATOM 601 N ILE A 43 -2.393 3.022 -0.391 1.00 0.00 N ATOM 602 CA ILE A 43 -2.330 2.835 -1.830 1.00 0.00 C ATOM 603 C ILE A 43 -2.026 4.176 -2.501 1.00 0.00 C ATOM 604 O ILE A 43 -1.026 4.309 -3.205 1.00 0.00 O ATOM 605 CB ILE A 43 -3.609 2.169 -2.341 1.00 0.00 C ATOM 606 CG1 ILE A 43 -3.665 0.697 -1.925 1.00 0.00 C ATOM 607 CG2 ILE A 43 -3.752 2.342 -3.854 1.00 0.00 C ATOM 608 CD1 ILE A 43 -4.971 0.047 -2.383 1.00 0.00 C ATOM 0 H ILE A 43 -3.141 2.507 0.073 1.00 0.00 H new ATOM 0 HA ILE A 43 -1.518 2.156 -2.090 1.00 0.00 H new ATOM 0 HB ILE A 43 -4.461 2.668 -1.878 1.00 0.00 H new ATOM 0 HG12 ILE A 43 -2.818 0.162 -2.354 1.00 0.00 H new ATOM 0 HG13 ILE A 43 -3.576 0.618 -0.842 1.00 0.00 H new ATOM 0 HG21 ILE A 43 -4.669 1.859 -4.190 1.00 0.00 H new ATOM 0 HG22 ILE A 43 -3.791 3.404 -4.097 1.00 0.00 H new ATOM 0 HG23 ILE A 43 -2.898 1.886 -4.355 1.00 0.00 H new ATOM 0 HD11 ILE A 43 -4.985 -0.998 -2.075 1.00 0.00 H new ATOM 0 HD12 ILE A 43 -5.815 0.569 -1.933 1.00 0.00 H new ATOM 0 HD13 ILE A 43 -5.046 0.106 -3.469 1.00 0.00 H new ATOM 620 N ASN A 44 -2.907 5.136 -2.260 1.00 0.00 N ATOM 621 CA ASN A 44 -2.745 6.462 -2.832 1.00 0.00 C ATOM 622 C ASN A 44 -1.295 6.915 -2.653 1.00 0.00 C ATOM 623 O ASN A 44 -0.670 7.396 -3.598 1.00 0.00 O ATOM 624 CB ASN A 44 -3.648 7.478 -2.130 1.00 0.00 C ATOM 625 CG ASN A 44 -3.308 8.905 -2.565 1.00 0.00 C ATOM 626 OD1 ASN A 44 -3.010 9.177 -3.716 1.00 0.00 O ATOM 627 ND2 ASN A 44 -3.369 9.799 -1.582 1.00 0.00 N ATOM 0 H ASN A 44 -3.736 5.022 -1.676 1.00 0.00 H new ATOM 0 HA ASN A 44 -3.013 6.410 -3.887 1.00 0.00 H new ATOM 0 HB2 ASN A 44 -4.691 7.263 -2.360 1.00 0.00 H new ATOM 0 HB3 ASN A 44 -3.534 7.386 -1.050 1.00 0.00 H new ATOM 0 HD21 ASN A 44 -3.159 10.779 -1.770 1.00 0.00 H new ATOM 0 HD22 ASN A 44 -3.625 9.504 -0.640 1.00 0.00 H new ATOM 634 N SER A 45 -0.801 6.747 -1.436 1.00 0.00 N ATOM 635 CA SER A 45 0.564 7.133 -1.121 1.00 0.00 C ATOM 636 C SER A 45 1.547 6.286 -1.932 1.00 0.00 C ATOM 637 O SER A 45 2.395 6.823 -2.644 1.00 0.00 O ATOM 638 CB SER A 45 0.847 6.988 0.375 1.00 0.00 C ATOM 639 OG SER A 45 0.787 8.240 1.053 1.00 0.00 O ATOM 0 H SER A 45 -1.322 6.348 -0.655 1.00 0.00 H new ATOM 0 HA SER A 45 0.693 8.182 -1.387 1.00 0.00 H new ATOM 0 HB2 SER A 45 0.124 6.302 0.816 1.00 0.00 H new ATOM 0 HB3 SER A 45 1.833 6.546 0.516 1.00 0.00 H new ATOM 0 HG SER A 45 0.972 8.105 2.006 1.00 0.00 H new ATOM 645 N LEU A 46 1.402 4.976 -1.797 1.00 0.00 N ATOM 646 CA LEU A 46 2.267 4.050 -2.508 1.00 0.00 C ATOM 647 C LEU A 46 2.301 4.427 -3.990 1.00 0.00 C ATOM 648 O LEU A 46 3.375 4.555 -4.577 1.00 0.00 O ATOM 649 CB LEU A 46 1.832 2.606 -2.250 1.00 0.00 C ATOM 650 CG LEU A 46 1.763 2.177 -0.783 1.00 0.00 C ATOM 651 CD1 LEU A 46 0.872 0.946 -0.612 1.00 0.00 C ATOM 652 CD2 LEU A 46 3.165 1.955 -0.211 1.00 0.00 C ATOM 0 H LEU A 46 0.698 4.534 -1.206 1.00 0.00 H new ATOM 0 HA LEU A 46 3.289 4.122 -2.137 1.00 0.00 H new ATOM 0 HB2 LEU A 46 0.849 2.458 -2.697 1.00 0.00 H new ATOM 0 HB3 LEU A 46 2.522 1.941 -2.770 1.00 0.00 H new ATOM 0 HG LEU A 46 1.306 2.985 -0.212 1.00 0.00 H new ATOM 0 HD11 LEU A 46 0.841 0.663 0.440 1.00 0.00 H new ATOM 0 HD12 LEU A 46 -0.136 1.176 -0.956 1.00 0.00 H new ATOM 0 HD13 LEU A 46 1.276 0.120 -1.198 1.00 0.00 H new ATOM 0 HD21 LEU A 46 3.088 1.651 0.833 1.00 0.00 H new ATOM 0 HD22 LEU A 46 3.671 1.175 -0.780 1.00 0.00 H new ATOM 0 HD23 LEU A 46 3.736 2.881 -0.278 1.00 0.00 H new ATOM 664 N LEU A 47 1.114 4.593 -4.553 1.00 0.00 N ATOM 665 CA LEU A 47 0.995 4.953 -5.956 1.00 0.00 C ATOM 666 C LEU A 47 2.045 6.011 -6.298 1.00 0.00 C ATOM 667 O LEU A 47 2.863 5.812 -7.196 1.00 0.00 O ATOM 668 CB LEU A 47 -0.438 5.381 -6.280 1.00 0.00 C ATOM 669 CG LEU A 47 -1.180 4.522 -7.305 1.00 0.00 C ATOM 670 CD1 LEU A 47 -2.483 5.193 -7.743 1.00 0.00 C ATOM 671 CD2 LEU A 47 -0.279 4.188 -8.495 1.00 0.00 C ATOM 0 H LEU A 47 0.226 4.485 -4.063 1.00 0.00 H new ATOM 0 HA LEU A 47 1.196 4.089 -6.589 1.00 0.00 H new ATOM 0 HB2 LEU A 47 -1.013 5.384 -5.354 1.00 0.00 H new ATOM 0 HB3 LEU A 47 -0.415 6.408 -6.645 1.00 0.00 H new ATOM 0 HG LEU A 47 -1.448 3.579 -6.829 1.00 0.00 H new ATOM 0 HD11 LEU A 47 -2.991 4.561 -8.472 1.00 0.00 H new ATOM 0 HD12 LEU A 47 -3.128 5.337 -6.876 1.00 0.00 H new ATOM 0 HD13 LEU A 47 -2.261 6.160 -8.194 1.00 0.00 H new ATOM 0 HD21 LEU A 47 -0.831 3.577 -9.209 1.00 0.00 H new ATOM 0 HD22 LEU A 47 0.041 5.111 -8.979 1.00 0.00 H new ATOM 0 HD23 LEU A 47 0.595 3.639 -8.146 1.00 0.00 H new ATOM 683 N GLN A 48 1.990 7.113 -5.564 1.00 0.00 N ATOM 684 CA GLN A 48 2.926 8.203 -5.778 1.00 0.00 C ATOM 685 C GLN A 48 4.365 7.683 -5.731 1.00 0.00 C ATOM 686 O GLN A 48 5.136 7.895 -6.666 1.00 0.00 O ATOM 687 CB GLN A 48 2.712 9.319 -4.754 1.00 0.00 C ATOM 688 CG GLN A 48 2.673 10.688 -5.436 1.00 0.00 C ATOM 689 CD GLN A 48 3.814 11.580 -4.941 1.00 0.00 C ATOM 690 OE1 GLN A 48 3.629 12.481 -4.140 1.00 0.00 O ATOM 691 NE2 GLN A 48 5.001 11.278 -5.461 1.00 0.00 N ATOM 0 H GLN A 48 1.311 7.274 -4.820 1.00 0.00 H new ATOM 0 HA GLN A 48 2.744 8.624 -6.767 1.00 0.00 H new ATOM 0 HB2 GLN A 48 1.779 9.150 -4.216 1.00 0.00 H new ATOM 0 HB3 GLN A 48 3.514 9.299 -4.016 1.00 0.00 H new ATOM 0 HG2 GLN A 48 2.747 10.562 -6.516 1.00 0.00 H new ATOM 0 HG3 GLN A 48 1.716 11.171 -5.236 1.00 0.00 H new ATOM 0 HE21 GLN A 48 5.086 10.510 -6.127 1.00 0.00 H new ATOM 0 HE22 GLN A 48 5.826 11.814 -5.193 1.00 0.00 H new ATOM 700 N MET A 49 4.682 7.014 -4.633 1.00 0.00 N ATOM 701 CA MET A 49 6.015 6.463 -4.451 1.00 0.00 C ATOM 702 C MET A 49 6.451 5.666 -5.682 1.00 0.00 C ATOM 703 O MET A 49 5.732 4.779 -6.139 1.00 0.00 O ATOM 704 CB MET A 49 6.027 5.551 -3.222 1.00 0.00 C ATOM 705 CG MET A 49 6.029 6.372 -1.931 1.00 0.00 C ATOM 706 SD MET A 49 5.536 5.347 -0.555 1.00 0.00 S ATOM 707 CE MET A 49 4.590 6.529 0.390 1.00 0.00 C ATOM 0 H MET A 49 4.039 6.841 -3.860 1.00 0.00 H new ATOM 0 HA MET A 49 6.713 7.288 -4.309 1.00 0.00 H new ATOM 0 HB2 MET A 49 5.155 4.898 -3.241 1.00 0.00 H new ATOM 0 HB3 MET A 49 6.907 4.908 -3.250 1.00 0.00 H new ATOM 0 HG2 MET A 49 7.023 6.781 -1.752 1.00 0.00 H new ATOM 0 HG3 MET A 49 5.348 7.218 -2.027 1.00 0.00 H new ATOM 0 HE1 MET A 49 5.168 6.848 1.257 1.00 0.00 H new ATOM 0 HE2 MET A 49 4.362 7.394 -0.233 1.00 0.00 H new ATOM 0 HE3 MET A 49 3.661 6.068 0.724 1.00 0.00 H new ATOM 717 N GLY A 50 7.627 6.012 -6.184 1.00 0.00 N ATOM 718 CA GLY A 50 8.168 5.340 -7.354 1.00 0.00 C ATOM 719 C GLY A 50 9.697 5.299 -7.305 1.00 0.00 C ATOM 720 O GLY A 50 10.362 6.195 -7.821 1.00 0.00 O ATOM 0 H GLY A 50 8.221 6.749 -5.802 1.00 0.00 H new ATOM 0 HA2 GLY A 50 7.775 4.325 -7.409 1.00 0.00 H new ATOM 0 HA3 GLY A 50 7.843 5.857 -8.257 1.00 0.00 H new ATOM 724 N GLU A 51 10.209 4.250 -6.679 1.00 0.00 N ATOM 725 CA GLU A 51 11.647 4.080 -6.555 1.00 0.00 C ATOM 726 C GLU A 51 12.319 5.429 -6.289 1.00 0.00 C ATOM 727 O GLU A 51 12.686 6.138 -7.225 1.00 0.00 O ATOM 728 CB GLU A 51 12.229 3.414 -7.803 1.00 0.00 C ATOM 729 CG GLU A 51 12.591 1.953 -7.526 1.00 0.00 C ATOM 730 CD GLU A 51 14.095 1.795 -7.291 1.00 0.00 C ATOM 731 OE1 GLU A 51 14.850 2.583 -7.900 1.00 0.00 O ATOM 732 OE2 GLU A 51 14.454 0.891 -6.507 1.00 0.00 O ATOM 0 H GLU A 51 9.654 3.509 -6.252 1.00 0.00 H new ATOM 0 HA GLU A 51 11.845 3.424 -5.707 1.00 0.00 H new ATOM 0 HB2 GLU A 51 11.507 3.465 -8.618 1.00 0.00 H new ATOM 0 HB3 GLU A 51 13.116 3.957 -8.129 1.00 0.00 H new ATOM 0 HG2 GLU A 51 12.044 1.598 -6.653 1.00 0.00 H new ATOM 0 HG3 GLU A 51 12.284 1.333 -8.368 1.00 0.00 H new ATOM 739 N GLU A 52 12.460 5.741 -5.010 1.00 0.00 N ATOM 740 CA GLU A 52 13.082 6.992 -4.609 1.00 0.00 C ATOM 741 C GLU A 52 14.150 6.736 -3.544 1.00 0.00 C ATOM 742 O GLU A 52 14.046 5.785 -2.771 1.00 0.00 O ATOM 743 CB GLU A 52 12.036 7.989 -4.108 1.00 0.00 C ATOM 744 CG GLU A 52 12.193 9.344 -4.800 1.00 0.00 C ATOM 745 CD GLU A 52 12.416 10.460 -3.777 1.00 0.00 C ATOM 746 OE1 GLU A 52 11.908 10.302 -2.646 1.00 0.00 O ATOM 747 OE2 GLU A 52 13.090 11.445 -4.150 1.00 0.00 O ATOM 0 H GLU A 52 12.154 5.150 -4.237 1.00 0.00 H new ATOM 0 HA GLU A 52 13.565 7.431 -5.482 1.00 0.00 H new ATOM 0 HB2 GLU A 52 11.036 7.596 -4.293 1.00 0.00 H new ATOM 0 HB3 GLU A 52 12.135 8.114 -3.030 1.00 0.00 H new ATOM 0 HG2 GLU A 52 13.034 9.307 -5.493 1.00 0.00 H new ATOM 0 HG3 GLU A 52 11.303 9.560 -5.391 1.00 0.00 H new ATOM 754 N PRO A 53 15.180 7.625 -3.537 1.00 0.00 N ATOM 755 CA PRO A 53 16.266 7.505 -2.579 1.00 0.00 C ATOM 756 C PRO A 53 15.821 7.956 -1.186 1.00 0.00 C ATOM 757 O PRO A 53 14.796 8.620 -1.043 1.00 0.00 O ATOM 758 CB PRO A 53 17.389 8.356 -3.149 1.00 0.00 C ATOM 759 CG PRO A 53 16.735 9.287 -4.157 1.00 0.00 C ATOM 760 CD PRO A 53 15.336 8.764 -4.437 1.00 0.00 C ATOM 0 HA PRO A 53 16.595 6.475 -2.443 1.00 0.00 H new ATOM 0 HB2 PRO A 53 17.889 8.921 -2.362 1.00 0.00 H new ATOM 0 HB3 PRO A 53 18.147 7.734 -3.626 1.00 0.00 H new ATOM 0 HG2 PRO A 53 16.691 10.303 -3.765 1.00 0.00 H new ATOM 0 HG3 PRO A 53 17.319 9.325 -5.076 1.00 0.00 H new ATOM 0 HD2 PRO A 53 14.582 9.527 -4.245 1.00 0.00 H new ATOM 0 HD3 PRO A 53 15.227 8.463 -5.479 1.00 0.00 H new ATOM 768 N SER A 54 16.615 7.578 -0.195 1.00 0.00 N ATOM 769 CA SER A 54 16.317 7.935 1.181 1.00 0.00 C ATOM 770 C SER A 54 15.960 9.421 1.270 1.00 0.00 C ATOM 771 O SER A 54 14.935 9.783 1.846 1.00 0.00 O ATOM 772 CB SER A 54 17.496 7.616 2.101 1.00 0.00 C ATOM 773 OG SER A 54 17.069 7.261 3.414 1.00 0.00 O ATOM 0 H SER A 54 17.465 7.028 -0.318 1.00 0.00 H new ATOM 0 HA SER A 54 15.464 7.342 1.511 1.00 0.00 H new ATOM 0 HB2 SER A 54 18.077 6.798 1.675 1.00 0.00 H new ATOM 0 HB3 SER A 54 18.157 8.481 2.156 1.00 0.00 H new ATOM 0 HG SER A 54 17.851 7.063 3.970 1.00 0.00 H new ATOM 779 N GLY A 55 16.826 10.240 0.692 1.00 0.00 N ATOM 780 CA GLY A 55 16.616 11.677 0.700 1.00 0.00 C ATOM 781 C GLY A 55 16.133 12.168 -0.667 1.00 0.00 C ATOM 782 O GLY A 55 16.863 12.086 -1.654 1.00 0.00 O ATOM 0 H GLY A 55 17.675 9.936 0.215 1.00 0.00 H new ATOM 0 HA2 GLY A 55 15.883 11.937 1.464 1.00 0.00 H new ATOM 0 HA3 GLY A 55 17.545 12.182 0.965 1.00 0.00 H new ATOM 786 N PRO A 56 14.873 12.680 -0.681 1.00 0.00 N ATOM 787 CA PRO A 56 14.284 13.184 -1.910 1.00 0.00 C ATOM 788 C PRO A 56 14.878 14.543 -2.287 1.00 0.00 C ATOM 789 O PRO A 56 14.694 15.525 -1.570 1.00 0.00 O ATOM 790 CB PRO A 56 12.790 13.245 -1.635 1.00 0.00 C ATOM 791 CG PRO A 56 12.644 13.217 -0.122 1.00 0.00 C ATOM 792 CD PRO A 56 13.980 12.793 0.468 1.00 0.00 C ATOM 0 HA PRO A 56 14.492 12.545 -2.768 1.00 0.00 H new ATOM 0 HB2 PRO A 56 12.352 14.152 -2.053 1.00 0.00 H new ATOM 0 HB3 PRO A 56 12.274 12.401 -2.093 1.00 0.00 H new ATOM 0 HG2 PRO A 56 12.356 14.200 0.252 1.00 0.00 H new ATOM 0 HG3 PRO A 56 11.858 12.521 0.173 1.00 0.00 H new ATOM 0 HD2 PRO A 56 14.348 13.528 1.184 1.00 0.00 H new ATOM 0 HD3 PRO A 56 13.896 11.845 0.999 1.00 0.00 H new ATOM 800 N SER A 57 15.579 14.555 -3.411 1.00 0.00 N ATOM 801 CA SER A 57 16.202 15.777 -3.891 1.00 0.00 C ATOM 802 C SER A 57 16.829 15.539 -5.267 1.00 0.00 C ATOM 803 O SER A 57 17.082 14.398 -5.648 1.00 0.00 O ATOM 804 CB SER A 57 17.258 16.281 -2.906 1.00 0.00 C ATOM 805 OG SER A 57 18.350 15.373 -2.784 1.00 0.00 O ATOM 0 H SER A 57 15.729 13.738 -4.003 1.00 0.00 H new ATOM 0 HA SER A 57 15.431 16.543 -3.978 1.00 0.00 H new ATOM 0 HB2 SER A 57 17.628 17.251 -3.237 1.00 0.00 H new ATOM 0 HB3 SER A 57 16.800 16.431 -1.928 1.00 0.00 H new ATOM 0 HG SER A 57 19.004 15.731 -2.148 1.00 0.00 H new ATOM 811 N SER A 58 17.061 16.636 -5.973 1.00 0.00 N ATOM 812 CA SER A 58 17.654 16.561 -7.298 1.00 0.00 C ATOM 813 C SER A 58 16.727 15.794 -8.243 1.00 0.00 C ATOM 814 O SER A 58 16.888 14.589 -8.434 1.00 0.00 O ATOM 815 CB SER A 58 19.030 15.895 -7.248 1.00 0.00 C ATOM 816 OG SER A 58 19.922 16.440 -8.217 1.00 0.00 O ATOM 0 H SER A 58 16.849 17.581 -5.653 1.00 0.00 H new ATOM 0 HA SER A 58 17.785 17.576 -7.673 1.00 0.00 H new ATOM 0 HB2 SER A 58 19.457 16.018 -6.253 1.00 0.00 H new ATOM 0 HB3 SER A 58 18.921 14.824 -7.418 1.00 0.00 H new ATOM 0 HG SER A 58 20.790 15.990 -8.152 1.00 0.00 H new ATOM 822 N GLY A 59 15.777 16.523 -8.810 1.00 0.00 N ATOM 823 CA GLY A 59 14.825 15.927 -9.731 1.00 0.00 C ATOM 824 C GLY A 59 13.518 16.721 -9.759 1.00 0.00 C ATOM 825 O GLY A 59 13.534 17.951 -9.742 1.00 0.00 O ATOM 0 H GLY A 59 15.646 17.522 -8.649 1.00 0.00 H new ATOM 0 HA2 GLY A 59 15.255 15.892 -10.732 1.00 0.00 H new ATOM 0 HA3 GLY A 59 14.623 14.898 -9.435 1.00 0.00 H new TER 829 GLY A 59