USER MOD reduce.3.24.130724 H: found=0, std=0, add=404, rem=0, adj=14 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 54 SER OG : rot 180:sc= 0 USER MOD Set 1.2: A 57 SER OG : rot 180:sc= 0 USER MOD Single : A 1 GLY N :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 2 SER OG : rot 22:sc= 0.365 USER MOD Single : A 3 SER OG : rot 23:sc= 1.32 USER MOD Single : A 5 SER OG : rot 53:sc= 0.953 USER MOD Single : A 6 SER OG : rot 34:sc= 0.545 USER MOD Single : A 8 CYS SG : rot 104:sc= -3.4 USER MOD Single : A 9 SER OG : rot 180:sc= 0 USER MOD Single : A 14 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 17 GLN : amide:sc= -3.47! C(o=-3.5!,f=-11!) USER MOD Single : A 19 MET CE :methyl -110:sc=-0.00701 (180deg=-2.33!) USER MOD Single : A 22 ASN : amide:sc= 0.308 K(o=0.31,f=-4.8!) USER MOD Single : A 23 MET CE :methyl -178:sc= -1.26 (180deg=-1.36) USER MOD Single : A 25 GLN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 30 SER OG : rot -27:sc= 0.161 USER MOD Single : A 35 GLN : amide:sc= -3.95! C(o=-4!,f=-8.8!) USER MOD Single : A 38 ASN : amide:sc= 0.568 K(o=0.57,f=-4.2!) USER MOD Single : A 39 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 44 ASN : amide:sc= -1.37! C(o=-1.4!,f=-2.5!) 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 163:sc= -0.0412 (180deg=-0.474) USER MOD Single : A 58 SER OG : rot 180:sc= 0 USER MOD ----------------------------------------------------------------- ATOM 1 N GLY A 1 -12.664 2.341 19.021 1.00 0.00 N ATOM 2 CA GLY A 1 -13.006 1.270 19.941 1.00 0.00 C ATOM 3 C GLY A 1 -12.920 -0.093 19.252 1.00 0.00 C ATOM 4 O GLY A 1 -13.934 -0.764 19.066 1.00 0.00 O ATOM 0 H1 GLY A 1 -12.730 3.255 19.513 1.00 0.00 H new ATOM 0 H2 GLY A 1 -11.693 2.204 18.674 1.00 0.00 H new ATOM 0 H3 GLY A 1 -13.324 2.332 18.217 1.00 0.00 H new ATOM 0 HA2 GLY A 1 -12.332 1.292 20.797 1.00 0.00 H new ATOM 0 HA3 GLY A 1 -14.014 1.424 20.325 1.00 0.00 H new ATOM 8 N SER A 2 -11.699 -0.463 18.892 1.00 0.00 N ATOM 9 CA SER A 2 -11.468 -1.734 18.227 1.00 0.00 C ATOM 10 C SER A 2 -10.043 -2.217 18.503 1.00 0.00 C ATOM 11 O SER A 2 -9.076 -1.556 18.128 1.00 0.00 O ATOM 12 CB SER A 2 -11.707 -1.619 16.721 1.00 0.00 C ATOM 13 OG SER A 2 -10.779 -0.735 16.098 1.00 0.00 O ATOM 0 H SER A 2 -10.860 0.095 19.048 1.00 0.00 H new ATOM 0 HA SER A 2 -12.175 -2.462 18.625 1.00 0.00 H new ATOM 0 HB2 SER A 2 -11.629 -2.606 16.265 1.00 0.00 H new ATOM 0 HB3 SER A 2 -12.722 -1.264 16.541 1.00 0.00 H new ATOM 0 HG SER A 2 -9.982 -0.647 16.661 1.00 0.00 H new ATOM 19 N SER A 3 -9.958 -3.366 19.158 1.00 0.00 N ATOM 20 CA SER A 3 -8.667 -3.945 19.488 1.00 0.00 C ATOM 21 C SER A 3 -7.706 -2.849 19.955 1.00 0.00 C ATOM 22 O SER A 3 -6.905 -2.345 19.169 1.00 0.00 O ATOM 23 CB SER A 3 -8.076 -4.694 18.292 1.00 0.00 C ATOM 24 OG SER A 3 -7.719 -3.811 17.232 1.00 0.00 O ATOM 0 H SER A 3 -10.762 -3.911 19.469 1.00 0.00 H new ATOM 0 HA SER A 3 -8.811 -4.662 20.296 1.00 0.00 H new ATOM 0 HB2 SER A 3 -7.195 -5.251 18.612 1.00 0.00 H new ATOM 0 HB3 SER A 3 -8.799 -5.424 17.928 1.00 0.00 H new ATOM 0 HG SER A 3 -7.570 -2.912 17.592 1.00 0.00 H new ATOM 30 N GLY A 4 -7.818 -2.513 21.232 1.00 0.00 N ATOM 31 CA GLY A 4 -6.969 -1.487 21.812 1.00 0.00 C ATOM 32 C GLY A 4 -7.563 -0.094 21.591 1.00 0.00 C ATOM 33 O GLY A 4 -7.925 0.589 22.547 1.00 0.00 O ATOM 0 H GLY A 4 -8.484 -2.933 21.881 1.00 0.00 H new ATOM 0 HA2 GLY A 4 -6.849 -1.670 22.880 1.00 0.00 H new ATOM 0 HA3 GLY A 4 -5.975 -1.537 21.367 1.00 0.00 H new ATOM 37 N SER A 5 -7.644 0.285 20.324 1.00 0.00 N ATOM 38 CA SER A 5 -8.188 1.583 19.965 1.00 0.00 C ATOM 39 C SER A 5 -8.225 1.732 18.442 1.00 0.00 C ATOM 40 O SER A 5 -9.293 1.910 17.859 1.00 0.00 O ATOM 41 CB SER A 5 -7.369 2.715 20.588 1.00 0.00 C ATOM 42 OG SER A 5 -7.953 3.193 21.797 1.00 0.00 O ATOM 0 H SER A 5 -7.342 -0.284 19.533 1.00 0.00 H new ATOM 0 HA SER A 5 -9.204 1.648 20.355 1.00 0.00 H new ATOM 0 HB2 SER A 5 -6.357 2.363 20.789 1.00 0.00 H new ATOM 0 HB3 SER A 5 -7.285 3.536 19.876 1.00 0.00 H new ATOM 0 HG SER A 5 -8.114 2.440 22.403 1.00 0.00 H new ATOM 48 N SER A 6 -7.046 1.653 17.843 1.00 0.00 N ATOM 49 CA SER A 6 -6.931 1.777 16.400 1.00 0.00 C ATOM 50 C SER A 6 -5.493 1.490 15.963 1.00 0.00 C ATOM 51 O SER A 6 -4.602 2.313 16.171 1.00 0.00 O ATOM 52 CB SER A 6 -7.361 3.168 15.930 1.00 0.00 C ATOM 53 OG SER A 6 -6.607 4.201 16.559 1.00 0.00 O ATOM 0 H SER A 6 -6.162 1.505 18.330 1.00 0.00 H new ATOM 0 HA SER A 6 -7.597 1.046 15.940 1.00 0.00 H new ATOM 0 HB2 SER A 6 -7.241 3.239 14.849 1.00 0.00 H new ATOM 0 HB3 SER A 6 -8.420 3.311 16.143 1.00 0.00 H new ATOM 0 HG SER A 6 -5.692 3.888 16.718 1.00 0.00 H new ATOM 59 N GLY A 7 -5.311 0.321 15.367 1.00 0.00 N ATOM 60 CA GLY A 7 -3.996 -0.084 14.900 1.00 0.00 C ATOM 61 C GLY A 7 -4.015 -0.380 13.399 1.00 0.00 C ATOM 62 O GLY A 7 -4.741 0.265 12.644 1.00 0.00 O ATOM 0 H GLY A 7 -6.052 -0.359 15.197 1.00 0.00 H new ATOM 0 HA2 GLY A 7 -3.273 0.704 15.110 1.00 0.00 H new ATOM 0 HA3 GLY A 7 -3.669 -0.970 15.445 1.00 0.00 H new ATOM 66 N CYS A 8 -3.207 -1.357 13.011 1.00 0.00 N ATOM 67 CA CYS A 8 -3.122 -1.746 11.614 1.00 0.00 C ATOM 68 C CYS A 8 -3.442 -3.239 11.511 1.00 0.00 C ATOM 69 O CYS A 8 -3.682 -3.897 12.522 1.00 0.00 O ATOM 70 CB CYS A 8 -1.754 -1.414 11.016 1.00 0.00 C ATOM 71 SG CYS A 8 -1.687 0.355 10.552 1.00 0.00 S ATOM 0 H CYS A 8 -2.606 -1.890 13.640 1.00 0.00 H new ATOM 0 HA CYS A 8 -3.847 -1.178 11.031 1.00 0.00 H new ATOM 0 HB2 CYS A 8 -0.968 -1.639 11.737 1.00 0.00 H new ATOM 0 HB3 CYS A 8 -1.570 -2.036 10.140 1.00 0.00 H new ATOM 0 HG CYS A 8 -0.986 1.008 11.431 1.00 0.00 H new ATOM 77 N SER A 9 -3.436 -3.730 10.280 1.00 0.00 N ATOM 78 CA SER A 9 -3.722 -5.132 10.032 1.00 0.00 C ATOM 79 C SER A 9 -2.725 -5.699 9.020 1.00 0.00 C ATOM 80 O SER A 9 -2.095 -4.948 8.276 1.00 0.00 O ATOM 81 CB SER A 9 -5.155 -5.321 9.529 1.00 0.00 C ATOM 82 OG SER A 9 -5.695 -6.582 9.916 1.00 0.00 O ATOM 0 H SER A 9 -3.237 -3.181 9.444 1.00 0.00 H new ATOM 0 HA SER A 9 -3.621 -5.673 10.973 1.00 0.00 H new ATOM 0 HB2 SER A 9 -5.785 -4.522 9.920 1.00 0.00 H new ATOM 0 HB3 SER A 9 -5.172 -5.238 8.442 1.00 0.00 H new ATOM 0 HG SER A 9 -6.611 -6.663 9.577 1.00 0.00 H new ATOM 88 N GLU A 10 -2.613 -7.019 9.023 1.00 0.00 N ATOM 89 CA GLU A 10 -1.703 -7.695 8.114 1.00 0.00 C ATOM 90 C GLU A 10 -2.426 -8.067 6.818 1.00 0.00 C ATOM 91 O GLU A 10 -1.789 -8.287 5.789 1.00 0.00 O ATOM 92 CB GLU A 10 -1.088 -8.932 8.773 1.00 0.00 C ATOM 93 CG GLU A 10 0.380 -8.689 9.132 1.00 0.00 C ATOM 94 CD GLU A 10 0.520 -8.221 10.581 1.00 0.00 C ATOM 95 OE1 GLU A 10 -0.035 -7.143 10.886 1.00 0.00 O ATOM 96 OE2 GLU A 10 1.179 -8.952 11.353 1.00 0.00 O ATOM 0 H GLU A 10 -3.137 -7.639 9.641 1.00 0.00 H new ATOM 0 HA GLU A 10 -0.890 -7.011 7.870 1.00 0.00 H new ATOM 0 HB2 GLU A 10 -1.649 -9.186 9.672 1.00 0.00 H new ATOM 0 HB3 GLU A 10 -1.165 -9.784 8.098 1.00 0.00 H new ATOM 0 HG2 GLU A 10 0.950 -9.606 8.986 1.00 0.00 H new ATOM 0 HG3 GLU A 10 0.803 -7.940 8.462 1.00 0.00 H new ATOM 103 N GLU A 11 -3.746 -8.126 6.911 1.00 0.00 N ATOM 104 CA GLU A 11 -4.563 -8.467 5.759 1.00 0.00 C ATOM 105 C GLU A 11 -4.471 -7.367 4.699 1.00 0.00 C ATOM 106 O GLU A 11 -3.935 -7.589 3.614 1.00 0.00 O ATOM 107 CB GLU A 11 -6.016 -8.713 6.170 1.00 0.00 C ATOM 108 CG GLU A 11 -6.562 -9.986 5.520 1.00 0.00 C ATOM 109 CD GLU A 11 -7.017 -10.991 6.581 1.00 0.00 C ATOM 110 OE1 GLU A 11 -6.127 -11.516 7.284 1.00 0.00 O ATOM 111 OE2 GLU A 11 -8.244 -11.212 6.664 1.00 0.00 O ATOM 0 H GLU A 11 -4.270 -7.943 7.767 1.00 0.00 H new ATOM 0 HA GLU A 11 -4.181 -9.393 5.328 1.00 0.00 H new ATOM 0 HB2 GLU A 11 -6.081 -8.798 7.255 1.00 0.00 H new ATOM 0 HB3 GLU A 11 -6.629 -7.860 5.879 1.00 0.00 H new ATOM 0 HG2 GLU A 11 -7.399 -9.736 4.868 1.00 0.00 H new ATOM 0 HG3 GLU A 11 -5.793 -10.437 4.893 1.00 0.00 H new ATOM 118 N ASP A 12 -5.004 -6.206 5.050 1.00 0.00 N ATOM 119 CA ASP A 12 -4.989 -5.071 4.142 1.00 0.00 C ATOM 120 C ASP A 12 -3.591 -4.926 3.538 1.00 0.00 C ATOM 121 O ASP A 12 -3.446 -4.477 2.401 1.00 0.00 O ATOM 122 CB ASP A 12 -5.323 -3.773 4.878 1.00 0.00 C ATOM 123 CG ASP A 12 -6.805 -3.391 4.876 1.00 0.00 C ATOM 124 OD1 ASP A 12 -7.567 -4.071 5.597 1.00 0.00 O ATOM 125 OD2 ASP A 12 -7.142 -2.429 4.153 1.00 0.00 O ATOM 0 H ASP A 12 -5.449 -6.027 5.950 1.00 0.00 H new ATOM 0 HA ASP A 12 -5.735 -5.248 3.367 1.00 0.00 H new ATOM 0 HB2 ASP A 12 -4.988 -3.862 5.911 1.00 0.00 H new ATOM 0 HB3 ASP A 12 -4.753 -2.960 4.427 1.00 0.00 H new ATOM 130 N LEU A 13 -2.597 -5.313 4.324 1.00 0.00 N ATOM 131 CA LEU A 13 -1.216 -5.231 3.881 1.00 0.00 C ATOM 132 C LEU A 13 -1.011 -6.167 2.689 1.00 0.00 C ATOM 133 O LEU A 13 -0.839 -5.712 1.559 1.00 0.00 O ATOM 134 CB LEU A 13 -0.262 -5.501 5.046 1.00 0.00 C ATOM 135 CG LEU A 13 0.698 -4.364 5.405 1.00 0.00 C ATOM 136 CD1 LEU A 13 1.352 -4.608 6.766 1.00 0.00 C ATOM 137 CD2 LEU A 13 1.735 -4.154 4.300 1.00 0.00 C ATOM 0 H LEU A 13 -2.721 -5.685 5.266 1.00 0.00 H new ATOM 0 HA LEU A 13 -0.986 -4.222 3.538 1.00 0.00 H new ATOM 0 HB2 LEU A 13 -0.856 -5.740 5.928 1.00 0.00 H new ATOM 0 HB3 LEU A 13 0.328 -6.387 4.809 1.00 0.00 H new ATOM 0 HG LEU A 13 0.122 -3.442 5.486 1.00 0.00 H new ATOM 0 HD11 LEU A 13 2.029 -3.786 6.997 1.00 0.00 H new ATOM 0 HD12 LEU A 13 0.581 -4.670 7.534 1.00 0.00 H new ATOM 0 HD13 LEU A 13 1.912 -5.543 6.738 1.00 0.00 H new ATOM 0 HD21 LEU A 13 2.405 -3.341 4.579 1.00 0.00 H new ATOM 0 HD22 LEU A 13 2.312 -5.069 4.164 1.00 0.00 H new ATOM 0 HD23 LEU A 13 1.228 -3.903 3.368 1.00 0.00 H new ATOM 149 N LYS A 14 -1.036 -7.459 2.981 1.00 0.00 N ATOM 150 CA LYS A 14 -0.856 -8.464 1.947 1.00 0.00 C ATOM 151 C LYS A 14 -1.582 -8.019 0.677 1.00 0.00 C ATOM 152 O LYS A 14 -1.127 -8.295 -0.432 1.00 0.00 O ATOM 153 CB LYS A 14 -1.292 -9.840 2.455 1.00 0.00 C ATOM 154 CG LYS A 14 -0.286 -10.919 2.048 1.00 0.00 C ATOM 155 CD LYS A 14 -0.427 -11.269 0.566 1.00 0.00 C ATOM 156 CE LYS A 14 -1.686 -12.102 0.316 1.00 0.00 C ATOM 157 NZ LYS A 14 -1.988 -12.164 -1.131 1.00 0.00 N ATOM 0 H LYS A 14 -1.178 -7.833 3.919 1.00 0.00 H new ATOM 0 HA LYS A 14 0.199 -8.564 1.693 1.00 0.00 H new ATOM 0 HB2 LYS A 14 -1.387 -9.817 3.541 1.00 0.00 H new ATOM 0 HB3 LYS A 14 -2.275 -10.085 2.054 1.00 0.00 H new ATOM 0 HG2 LYS A 14 0.727 -10.571 2.248 1.00 0.00 H new ATOM 0 HG3 LYS A 14 -0.441 -11.813 2.653 1.00 0.00 H new ATOM 0 HD2 LYS A 14 -0.469 -10.354 -0.025 1.00 0.00 H new ATOM 0 HD3 LYS A 14 0.451 -11.823 0.234 1.00 0.00 H new ATOM 0 HE2 LYS A 14 -1.546 -13.110 0.708 1.00 0.00 H new ATOM 0 HE3 LYS A 14 -2.530 -11.666 0.851 1.00 0.00 H new ATOM 0 HZ1 LYS A 14 -2.845 -12.733 -1.283 1.00 0.00 H new ATOM 0 HZ2 LYS A 14 -2.142 -11.202 -1.495 1.00 0.00 H new ATOM 0 HZ3 LYS A 14 -1.189 -12.601 -1.634 1.00 0.00 H new ATOM 171 N ALA A 15 -2.700 -7.337 0.880 1.00 0.00 N ATOM 172 CA ALA A 15 -3.493 -6.851 -0.235 1.00 0.00 C ATOM 173 C ALA A 15 -2.641 -5.911 -1.091 1.00 0.00 C ATOM 174 O ALA A 15 -2.494 -6.123 -2.293 1.00 0.00 O ATOM 175 CB ALA A 15 -4.757 -6.171 0.295 1.00 0.00 C ATOM 0 H ALA A 15 -3.075 -7.110 1.801 1.00 0.00 H new ATOM 0 HA ALA A 15 -3.809 -7.679 -0.870 1.00 0.00 H new ATOM 0 HB1 ALA A 15 -5.352 -5.806 -0.542 1.00 0.00 H new ATOM 0 HB2 ALA A 15 -5.342 -6.888 0.871 1.00 0.00 H new ATOM 0 HB3 ALA A 15 -4.479 -5.333 0.935 1.00 0.00 H new ATOM 181 N ILE A 16 -2.102 -4.893 -0.437 1.00 0.00 N ATOM 182 CA ILE A 16 -1.269 -3.920 -1.122 1.00 0.00 C ATOM 183 C ILE A 16 -0.057 -4.630 -1.729 1.00 0.00 C ATOM 184 O ILE A 16 0.263 -4.428 -2.899 1.00 0.00 O ATOM 185 CB ILE A 16 -0.900 -2.772 -0.181 1.00 0.00 C ATOM 186 CG1 ILE A 16 -2.154 -2.105 0.389 1.00 0.00 C ATOM 187 CG2 ILE A 16 0.018 -1.765 -0.876 1.00 0.00 C ATOM 188 CD1 ILE A 16 -1.796 -1.140 1.521 1.00 0.00 C ATOM 0 H ILE A 16 -2.226 -4.721 0.561 1.00 0.00 H new ATOM 0 HA ILE A 16 -1.818 -3.463 -1.945 1.00 0.00 H new ATOM 0 HB ILE A 16 -0.344 -3.187 0.660 1.00 0.00 H new ATOM 0 HG12 ILE A 16 -2.675 -1.566 -0.402 1.00 0.00 H new ATOM 0 HG13 ILE A 16 -2.839 -2.867 0.759 1.00 0.00 H new ATOM 0 HG21 ILE A 16 0.265 -0.960 -0.184 1.00 0.00 H new ATOM 0 HG22 ILE A 16 0.934 -2.265 -1.192 1.00 0.00 H new ATOM 0 HG23 ILE A 16 -0.489 -1.352 -1.748 1.00 0.00 H new ATOM 0 HD11 ILE A 16 -2.705 -0.680 1.908 1.00 0.00 H new ATOM 0 HD12 ILE A 16 -1.297 -1.687 2.321 1.00 0.00 H new ATOM 0 HD13 ILE A 16 -1.130 -0.365 1.141 1.00 0.00 H new ATOM 200 N GLN A 17 0.583 -5.448 -0.906 1.00 0.00 N ATOM 201 CA GLN A 17 1.752 -6.190 -1.348 1.00 0.00 C ATOM 202 C GLN A 17 1.526 -6.748 -2.754 1.00 0.00 C ATOM 203 O GLN A 17 2.309 -6.481 -3.665 1.00 0.00 O ATOM 204 CB GLN A 17 2.095 -7.308 -0.362 1.00 0.00 C ATOM 205 CG GLN A 17 3.379 -6.987 0.406 1.00 0.00 C ATOM 206 CD GLN A 17 4.598 -7.037 -0.518 1.00 0.00 C ATOM 207 OE1 GLN A 17 5.378 -6.104 -0.610 1.00 0.00 O ATOM 208 NE2 GLN A 17 4.717 -8.176 -1.195 1.00 0.00 N ATOM 0 H GLN A 17 0.314 -5.613 0.064 1.00 0.00 H new ATOM 0 HA GLN A 17 2.601 -5.507 -1.382 1.00 0.00 H new ATOM 0 HB2 GLN A 17 1.272 -7.444 0.339 1.00 0.00 H new ATOM 0 HB3 GLN A 17 2.214 -8.248 -0.900 1.00 0.00 H new ATOM 0 HG2 GLN A 17 3.300 -5.997 0.856 1.00 0.00 H new ATOM 0 HG3 GLN A 17 3.507 -7.699 1.221 1.00 0.00 H new ATOM 0 HE21 GLN A 17 4.028 -8.918 -1.071 1.00 0.00 H new ATOM 0 HE22 GLN A 17 5.498 -8.308 -1.838 1.00 0.00 H new ATOM 217 N ASP A 18 0.453 -7.513 -2.888 1.00 0.00 N ATOM 218 CA ASP A 18 0.115 -8.111 -4.168 1.00 0.00 C ATOM 219 C ASP A 18 0.140 -7.033 -5.252 1.00 0.00 C ATOM 220 O ASP A 18 0.690 -7.245 -6.332 1.00 0.00 O ATOM 221 CB ASP A 18 -1.289 -8.720 -4.138 1.00 0.00 C ATOM 222 CG ASP A 18 -1.835 -9.152 -5.500 1.00 0.00 C ATOM 223 OD1 ASP A 18 -1.253 -10.100 -6.071 1.00 0.00 O ATOM 224 OD2 ASP A 18 -2.823 -8.524 -5.940 1.00 0.00 O ATOM 0 H ASP A 18 -0.194 -7.733 -2.131 1.00 0.00 H new ATOM 0 HA ASP A 18 0.843 -8.895 -4.377 1.00 0.00 H new ATOM 0 HB2 ASP A 18 -1.279 -9.586 -3.476 1.00 0.00 H new ATOM 0 HB3 ASP A 18 -1.975 -7.993 -3.702 1.00 0.00 H new ATOM 229 N MET A 19 -0.463 -5.898 -4.928 1.00 0.00 N ATOM 230 CA MET A 19 -0.517 -4.786 -5.861 1.00 0.00 C ATOM 231 C MET A 19 0.879 -4.211 -6.110 1.00 0.00 C ATOM 232 O MET A 19 1.227 -3.886 -7.244 1.00 0.00 O ATOM 233 CB MET A 19 -1.427 -3.692 -5.299 1.00 0.00 C ATOM 234 CG MET A 19 -2.879 -4.167 -5.233 1.00 0.00 C ATOM 235 SD MET A 19 -3.814 -3.123 -4.127 1.00 0.00 S ATOM 236 CE MET A 19 -3.836 -1.610 -5.074 1.00 0.00 C ATOM 0 H MET A 19 -0.918 -5.725 -4.032 1.00 0.00 H new ATOM 0 HA MET A 19 -0.914 -5.150 -6.809 1.00 0.00 H new ATOM 0 HB2 MET A 19 -1.088 -3.408 -4.303 1.00 0.00 H new ATOM 0 HB3 MET A 19 -1.360 -2.802 -5.924 1.00 0.00 H new ATOM 0 HG2 MET A 19 -3.323 -4.146 -6.228 1.00 0.00 H new ATOM 0 HG3 MET A 19 -2.917 -5.201 -4.889 1.00 0.00 H new ATOM 0 HE1 MET A 19 -3.208 -0.866 -4.585 1.00 0.00 H new ATOM 0 HE2 MET A 19 -3.456 -1.803 -6.077 1.00 0.00 H new ATOM 0 HE3 MET A 19 -4.858 -1.236 -5.139 1.00 0.00 H new ATOM 246 N PHE A 20 1.641 -4.104 -5.032 1.00 0.00 N ATOM 247 CA PHE A 20 2.992 -3.574 -5.119 1.00 0.00 C ATOM 248 C PHE A 20 3.987 -4.489 -4.402 1.00 0.00 C ATOM 249 O PHE A 20 4.474 -4.156 -3.322 1.00 0.00 O ATOM 250 CB PHE A 20 2.982 -2.209 -4.429 1.00 0.00 C ATOM 251 CG PHE A 20 1.885 -1.267 -4.928 1.00 0.00 C ATOM 252 CD1 PHE A 20 1.912 -0.809 -6.209 1.00 0.00 C ATOM 253 CD2 PHE A 20 0.882 -0.887 -4.092 1.00 0.00 C ATOM 254 CE1 PHE A 20 0.894 0.065 -6.672 1.00 0.00 C ATOM 255 CE2 PHE A 20 -0.136 -0.012 -4.555 1.00 0.00 C ATOM 256 CZ PHE A 20 -0.108 0.445 -5.836 1.00 0.00 C ATOM 0 H PHE A 20 1.349 -4.375 -4.093 1.00 0.00 H new ATOM 0 HA PHE A 20 3.296 -3.499 -6.163 1.00 0.00 H new ATOM 0 HB2 PHE A 20 2.859 -2.357 -3.356 1.00 0.00 H new ATOM 0 HB3 PHE A 20 3.951 -1.732 -4.576 1.00 0.00 H new ATOM 0 HD1 PHE A 20 2.708 -1.111 -6.874 1.00 0.00 H new ATOM 0 HD2 PHE A 20 0.860 -1.251 -3.075 1.00 0.00 H new ATOM 0 HE1 PHE A 20 0.916 0.428 -7.689 1.00 0.00 H new ATOM 0 HE2 PHE A 20 -0.932 0.290 -3.891 1.00 0.00 H new ATOM 0 HZ PHE A 20 -0.882 1.110 -6.189 1.00 0.00 H new ATOM 266 N PRO A 21 4.266 -5.653 -5.047 1.00 0.00 N ATOM 267 CA PRO A 21 5.195 -6.617 -4.482 1.00 0.00 C ATOM 268 C PRO A 21 6.641 -6.143 -4.638 1.00 0.00 C ATOM 269 O PRO A 21 7.486 -6.425 -3.790 1.00 0.00 O ATOM 270 CB PRO A 21 4.912 -7.915 -5.221 1.00 0.00 C ATOM 271 CG PRO A 21 4.167 -7.520 -6.486 1.00 0.00 C ATOM 272 CD PRO A 21 3.709 -6.080 -6.327 1.00 0.00 C ATOM 0 HA PRO A 21 5.063 -6.748 -3.408 1.00 0.00 H new ATOM 0 HB2 PRO A 21 5.838 -8.438 -5.460 1.00 0.00 H new ATOM 0 HB3 PRO A 21 4.313 -8.590 -4.610 1.00 0.00 H new ATOM 0 HG2 PRO A 21 4.814 -7.621 -7.357 1.00 0.00 H new ATOM 0 HG3 PRO A 21 3.312 -8.177 -6.646 1.00 0.00 H new ATOM 0 HD2 PRO A 21 4.072 -5.457 -7.144 1.00 0.00 H new ATOM 0 HD3 PRO A 21 2.621 -6.008 -6.329 1.00 0.00 H new ATOM 280 N ASN A 22 6.882 -5.430 -5.729 1.00 0.00 N ATOM 281 CA ASN A 22 8.211 -4.914 -6.007 1.00 0.00 C ATOM 282 C ASN A 22 8.648 -3.997 -4.863 1.00 0.00 C ATOM 283 O ASN A 22 9.793 -4.057 -4.417 1.00 0.00 O ATOM 284 CB ASN A 22 8.225 -4.096 -7.300 1.00 0.00 C ATOM 285 CG ASN A 22 6.964 -3.238 -7.419 1.00 0.00 C ATOM 286 OD1 ASN A 22 5.856 -3.732 -7.551 1.00 0.00 O ATOM 287 ND2 ASN A 22 7.193 -1.929 -7.365 1.00 0.00 N ATOM 0 H ASN A 22 6.179 -5.198 -6.431 1.00 0.00 H new ATOM 0 HA ASN A 22 8.887 -5.763 -6.110 1.00 0.00 H new ATOM 0 HB2 ASN A 22 9.108 -3.457 -7.321 1.00 0.00 H new ATOM 0 HB3 ASN A 22 8.296 -4.765 -8.157 1.00 0.00 H new ATOM 0 HD21 ASN A 22 6.416 -1.272 -7.435 1.00 0.00 H new ATOM 0 HD22 ASN A 22 8.146 -1.582 -7.253 1.00 0.00 H new ATOM 294 N MET A 23 7.712 -3.171 -4.419 1.00 0.00 N ATOM 295 CA MET A 23 7.986 -2.243 -3.335 1.00 0.00 C ATOM 296 C MET A 23 8.529 -2.978 -2.108 1.00 0.00 C ATOM 297 O MET A 23 8.294 -4.174 -1.943 1.00 0.00 O ATOM 298 CB MET A 23 6.700 -1.503 -2.960 1.00 0.00 C ATOM 299 CG MET A 23 6.271 -0.548 -4.076 1.00 0.00 C ATOM 300 SD MET A 23 7.304 0.908 -4.064 1.00 0.00 S ATOM 301 CE MET A 23 6.422 1.905 -2.875 1.00 0.00 C ATOM 0 H MET A 23 6.763 -3.125 -4.790 1.00 0.00 H new ATOM 0 HA MET A 23 8.740 -1.532 -3.672 1.00 0.00 H new ATOM 0 HB2 MET A 23 5.905 -2.223 -2.767 1.00 0.00 H new ATOM 0 HB3 MET A 23 6.854 -0.944 -2.037 1.00 0.00 H new ATOM 0 HG2 MET A 23 6.344 -1.048 -5.042 1.00 0.00 H new ATOM 0 HG3 MET A 23 5.227 -0.264 -3.942 1.00 0.00 H new ATOM 0 HE1 MET A 23 6.916 2.871 -2.773 1.00 0.00 H new ATOM 0 HE2 MET A 23 5.397 2.055 -3.215 1.00 0.00 H new ATOM 0 HE3 MET A 23 6.414 1.398 -1.910 1.00 0.00 H new ATOM 311 N ASP A 24 9.244 -2.232 -1.280 1.00 0.00 N ATOM 312 CA ASP A 24 9.822 -2.798 -0.073 1.00 0.00 C ATOM 313 C ASP A 24 8.730 -2.952 0.987 1.00 0.00 C ATOM 314 O ASP A 24 8.036 -1.991 1.313 1.00 0.00 O ATOM 315 CB ASP A 24 10.909 -1.884 0.498 1.00 0.00 C ATOM 316 CG ASP A 24 12.256 -1.952 -0.224 1.00 0.00 C ATOM 317 OD1 ASP A 24 12.337 -2.726 -1.203 1.00 0.00 O ATOM 318 OD2 ASP A 24 13.175 -1.229 0.219 1.00 0.00 O ATOM 0 H ASP A 24 9.437 -1.240 -1.421 1.00 0.00 H new ATOM 0 HA ASP A 24 10.259 -3.763 -0.329 1.00 0.00 H new ATOM 0 HB2 ASP A 24 10.550 -0.855 0.469 1.00 0.00 H new ATOM 0 HB3 ASP A 24 11.063 -2.138 1.547 1.00 0.00 H new ATOM 323 N GLN A 25 8.612 -4.170 1.496 1.00 0.00 N ATOM 324 CA GLN A 25 7.615 -4.463 2.512 1.00 0.00 C ATOM 325 C GLN A 25 7.694 -3.437 3.644 1.00 0.00 C ATOM 326 O GLN A 25 6.681 -2.860 4.036 1.00 0.00 O ATOM 327 CB GLN A 25 7.782 -5.886 3.049 1.00 0.00 C ATOM 328 CG GLN A 25 7.326 -6.919 2.017 1.00 0.00 C ATOM 329 CD GLN A 25 8.321 -8.077 1.924 1.00 0.00 C ATOM 330 OE1 GLN A 25 9.002 -8.266 0.929 1.00 0.00 O ATOM 331 NE2 GLN A 25 8.367 -8.840 3.012 1.00 0.00 N ATOM 0 H GLN A 25 9.190 -4.965 1.224 1.00 0.00 H new ATOM 0 HA GLN A 25 6.628 -4.396 2.055 1.00 0.00 H new ATOM 0 HB2 GLN A 25 8.827 -6.061 3.307 1.00 0.00 H new ATOM 0 HB3 GLN A 25 7.204 -6.003 3.966 1.00 0.00 H new ATOM 0 HG2 GLN A 25 6.342 -7.301 2.290 1.00 0.00 H new ATOM 0 HG3 GLN A 25 7.224 -6.443 1.042 1.00 0.00 H new ATOM 0 HE21 GLN A 25 7.770 -8.626 3.811 1.00 0.00 H new ATOM 0 HE22 GLN A 25 9.000 -9.639 3.048 1.00 0.00 H new ATOM 340 N GLU A 26 8.908 -3.239 4.138 1.00 0.00 N ATOM 341 CA GLU A 26 9.132 -2.293 5.217 1.00 0.00 C ATOM 342 C GLU A 26 8.494 -0.944 4.880 1.00 0.00 C ATOM 343 O GLU A 26 8.020 -0.238 5.770 1.00 0.00 O ATOM 344 CB GLU A 26 10.626 -2.136 5.507 1.00 0.00 C ATOM 345 CG GLU A 26 10.953 -2.554 6.942 1.00 0.00 C ATOM 346 CD GLU A 26 11.919 -1.563 7.595 1.00 0.00 C ATOM 347 OE1 GLU A 26 11.442 -0.471 7.971 1.00 0.00 O ATOM 348 OE2 GLU A 26 13.111 -1.921 7.704 1.00 0.00 O ATOM 0 H GLU A 26 9.747 -3.718 3.810 1.00 0.00 H new ATOM 0 HA GLU A 26 8.659 -2.681 6.119 1.00 0.00 H new ATOM 0 HB2 GLU A 26 11.201 -2.743 4.808 1.00 0.00 H new ATOM 0 HB3 GLU A 26 10.924 -1.099 5.350 1.00 0.00 H new ATOM 0 HG2 GLU A 26 10.035 -2.611 7.526 1.00 0.00 H new ATOM 0 HG3 GLU A 26 11.394 -3.551 6.943 1.00 0.00 H new ATOM 355 N VAL A 27 8.501 -0.626 3.594 1.00 0.00 N ATOM 356 CA VAL A 27 7.929 0.627 3.129 1.00 0.00 C ATOM 357 C VAL A 27 6.403 0.515 3.127 1.00 0.00 C ATOM 358 O VAL A 27 5.717 1.325 3.747 1.00 0.00 O ATOM 359 CB VAL A 27 8.505 0.988 1.758 1.00 0.00 C ATOM 360 CG1 VAL A 27 7.892 2.287 1.232 1.00 0.00 C ATOM 361 CG2 VAL A 27 10.031 1.083 1.812 1.00 0.00 C ATOM 0 H VAL A 27 8.894 -1.214 2.859 1.00 0.00 H new ATOM 0 HA VAL A 27 8.194 1.442 3.802 1.00 0.00 H new ATOM 0 HB VAL A 27 8.244 0.189 1.063 1.00 0.00 H new ATOM 0 HG11 VAL A 27 8.318 2.521 0.256 1.00 0.00 H new ATOM 0 HG12 VAL A 27 6.813 2.168 1.138 1.00 0.00 H new ATOM 0 HG13 VAL A 27 8.108 3.099 1.927 1.00 0.00 H new ATOM 0 HG21 VAL A 27 10.415 1.341 0.825 1.00 0.00 H new ATOM 0 HG22 VAL A 27 10.323 1.852 2.527 1.00 0.00 H new ATOM 0 HG23 VAL A 27 10.445 0.124 2.123 1.00 0.00 H new ATOM 371 N ILE A 28 5.917 -0.496 2.421 1.00 0.00 N ATOM 372 CA ILE A 28 4.485 -0.724 2.330 1.00 0.00 C ATOM 373 C ILE A 28 3.856 -0.550 3.714 1.00 0.00 C ATOM 374 O ILE A 28 2.876 0.177 3.867 1.00 0.00 O ATOM 375 CB ILE A 28 4.199 -2.083 1.690 1.00 0.00 C ATOM 376 CG1 ILE A 28 4.699 -2.126 0.244 1.00 0.00 C ATOM 377 CG2 ILE A 28 2.713 -2.436 1.793 1.00 0.00 C ATOM 378 CD1 ILE A 28 4.608 -3.542 -0.326 1.00 0.00 C ATOM 0 H ILE A 28 6.489 -1.166 1.907 1.00 0.00 H new ATOM 0 HA ILE A 28 4.022 0.014 1.675 1.00 0.00 H new ATOM 0 HB ILE A 28 4.750 -2.843 2.244 1.00 0.00 H new ATOM 0 HG12 ILE A 28 4.109 -1.445 -0.369 1.00 0.00 H new ATOM 0 HG13 ILE A 28 5.731 -1.779 0.202 1.00 0.00 H new ATOM 0 HG21 ILE A 28 2.537 -3.407 1.330 1.00 0.00 H new ATOM 0 HG22 ILE A 28 2.420 -2.475 2.842 1.00 0.00 H new ATOM 0 HG23 ILE A 28 2.122 -1.677 1.280 1.00 0.00 H new ATOM 0 HD11 ILE A 28 4.969 -3.544 -1.354 1.00 0.00 H new ATOM 0 HD12 ILE A 28 5.219 -4.216 0.275 1.00 0.00 H new ATOM 0 HD13 ILE A 28 3.571 -3.877 -0.305 1.00 0.00 H new ATOM 390 N ARG A 29 4.445 -1.231 4.686 1.00 0.00 N ATOM 391 CA ARG A 29 3.954 -1.162 6.052 1.00 0.00 C ATOM 392 C ARG A 29 4.150 0.247 6.615 1.00 0.00 C ATOM 393 O ARG A 29 3.303 0.748 7.353 1.00 0.00 O ATOM 394 CB ARG A 29 4.679 -2.168 6.949 1.00 0.00 C ATOM 395 CG ARG A 29 4.682 -3.562 6.318 1.00 0.00 C ATOM 396 CD ARG A 29 4.539 -4.647 7.387 1.00 0.00 C ATOM 397 NE ARG A 29 4.239 -5.949 6.749 1.00 0.00 N ATOM 398 CZ ARG A 29 3.634 -6.969 7.372 1.00 0.00 C ATOM 399 NH1 ARG A 29 3.260 -6.844 8.653 1.00 0.00 N ATOM 400 NH2 ARG A 29 3.402 -8.113 6.715 1.00 0.00 N ATOM 0 H ARG A 29 5.258 -1.833 4.555 1.00 0.00 H new ATOM 0 HA ARG A 29 2.892 -1.406 6.036 1.00 0.00 H new ATOM 0 HB2 ARG A 29 5.704 -1.838 7.116 1.00 0.00 H new ATOM 0 HB3 ARG A 29 4.193 -2.207 7.924 1.00 0.00 H new ATOM 0 HG2 ARG A 29 3.865 -3.643 5.601 1.00 0.00 H new ATOM 0 HG3 ARG A 29 5.608 -3.712 5.764 1.00 0.00 H new ATOM 0 HD2 ARG A 29 5.458 -4.720 7.968 1.00 0.00 H new ATOM 0 HD3 ARG A 29 3.743 -4.381 8.083 1.00 0.00 H new ATOM 0 HE ARG A 29 4.510 -6.077 5.774 1.00 0.00 H new ATOM 0 HH11 ARG A 29 3.436 -5.973 9.153 1.00 0.00 H new ATOM 0 HH12 ARG A 29 2.799 -7.620 9.128 1.00 0.00 H new ATOM 0 HH21 ARG A 29 3.686 -8.208 5.740 1.00 0.00 H new ATOM 0 HH22 ARG A 29 2.941 -8.889 7.190 1.00 0.00 H new ATOM 414 N SER A 30 5.273 0.847 6.246 1.00 0.00 N ATOM 415 CA SER A 30 5.591 2.188 6.705 1.00 0.00 C ATOM 416 C SER A 30 4.540 3.178 6.198 1.00 0.00 C ATOM 417 O SER A 30 4.455 4.303 6.687 1.00 0.00 O ATOM 418 CB SER A 30 6.986 2.612 6.244 1.00 0.00 C ATOM 419 OG SER A 30 7.322 3.922 6.692 1.00 0.00 O ATOM 0 H SER A 30 5.974 0.428 5.634 1.00 0.00 H new ATOM 0 HA SER A 30 5.583 2.187 7.795 1.00 0.00 H new ATOM 0 HB2 SER A 30 7.723 1.901 6.618 1.00 0.00 H new ATOM 0 HB3 SER A 30 7.034 2.578 5.156 1.00 0.00 H new ATOM 0 HG SER A 30 6.503 4.448 6.810 1.00 0.00 H new ATOM 425 N VAL A 31 3.767 2.723 5.223 1.00 0.00 N ATOM 426 CA VAL A 31 2.725 3.554 4.644 1.00 0.00 C ATOM 427 C VAL A 31 1.398 3.265 5.347 1.00 0.00 C ATOM 428 O VAL A 31 0.720 4.184 5.804 1.00 0.00 O ATOM 429 CB VAL A 31 2.661 3.334 3.131 1.00 0.00 C ATOM 430 CG1 VAL A 31 1.482 4.092 2.516 1.00 0.00 C ATOM 431 CG2 VAL A 31 3.978 3.733 2.462 1.00 0.00 C ATOM 0 H VAL A 31 3.841 1.789 4.819 1.00 0.00 H new ATOM 0 HA VAL A 31 2.950 4.610 4.796 1.00 0.00 H new ATOM 0 HB VAL A 31 2.505 2.270 2.954 1.00 0.00 H new ATOM 0 HG11 VAL A 31 1.459 3.919 1.440 1.00 0.00 H new ATOM 0 HG12 VAL A 31 0.551 3.739 2.960 1.00 0.00 H new ATOM 0 HG13 VAL A 31 1.595 5.159 2.709 1.00 0.00 H new ATOM 0 HG21 VAL A 31 3.905 3.567 1.387 1.00 0.00 H new ATOM 0 HG22 VAL A 31 4.178 4.787 2.653 1.00 0.00 H new ATOM 0 HG23 VAL A 31 4.790 3.130 2.868 1.00 0.00 H new ATOM 441 N LEU A 32 1.066 1.984 5.412 1.00 0.00 N ATOM 442 CA LEU A 32 -0.169 1.562 6.052 1.00 0.00 C ATOM 443 C LEU A 32 -0.183 2.058 7.499 1.00 0.00 C ATOM 444 O LEU A 32 -1.221 2.487 8.002 1.00 0.00 O ATOM 445 CB LEU A 32 -0.351 0.049 5.918 1.00 0.00 C ATOM 446 CG LEU A 32 -1.415 -0.580 6.821 1.00 0.00 C ATOM 447 CD1 LEU A 32 -2.803 -0.480 6.184 1.00 0.00 C ATOM 448 CD2 LEU A 32 -1.049 -2.023 7.175 1.00 0.00 C ATOM 0 H LEU A 32 1.631 1.224 5.032 1.00 0.00 H new ATOM 0 HA LEU A 32 -1.029 2.009 5.554 1.00 0.00 H new ATOM 0 HB2 LEU A 32 -0.602 -0.177 4.882 1.00 0.00 H new ATOM 0 HB3 LEU A 32 0.605 -0.432 6.126 1.00 0.00 H new ATOM 0 HG LEU A 32 -1.448 -0.018 7.754 1.00 0.00 H new ATOM 0 HD11 LEU A 32 -3.541 -0.934 6.846 1.00 0.00 H new ATOM 0 HD12 LEU A 32 -3.055 0.568 6.024 1.00 0.00 H new ATOM 0 HD13 LEU A 32 -2.803 -1.003 5.228 1.00 0.00 H new ATOM 0 HD21 LEU A 32 -1.821 -2.447 7.817 1.00 0.00 H new ATOM 0 HD22 LEU A 32 -0.972 -2.613 6.262 1.00 0.00 H new ATOM 0 HD23 LEU A 32 -0.093 -2.038 7.698 1.00 0.00 H new ATOM 460 N GLU A 33 0.981 1.983 8.128 1.00 0.00 N ATOM 461 CA GLU A 33 1.115 2.420 9.508 1.00 0.00 C ATOM 462 C GLU A 33 1.097 3.947 9.586 1.00 0.00 C ATOM 463 O GLU A 33 0.495 4.520 10.493 1.00 0.00 O ATOM 464 CB GLU A 33 2.387 1.853 10.141 1.00 0.00 C ATOM 465 CG GLU A 33 2.082 0.591 10.950 1.00 0.00 C ATOM 466 CD GLU A 33 2.164 0.870 12.453 1.00 0.00 C ATOM 467 OE1 GLU A 33 1.166 1.400 12.987 1.00 0.00 O ATOM 468 OE2 GLU A 33 3.224 0.548 13.032 1.00 0.00 O ATOM 0 H GLU A 33 1.839 1.626 7.708 1.00 0.00 H new ATOM 0 HA GLU A 33 0.265 2.038 10.074 1.00 0.00 H new ATOM 0 HB2 GLU A 33 3.114 1.623 9.362 1.00 0.00 H new ATOM 0 HB3 GLU A 33 2.841 2.603 10.788 1.00 0.00 H new ATOM 0 HG2 GLU A 33 1.087 0.225 10.698 1.00 0.00 H new ATOM 0 HG3 GLU A 33 2.788 -0.196 10.683 1.00 0.00 H new ATOM 475 N ALA A 34 1.765 4.565 8.622 1.00 0.00 N ATOM 476 CA ALA A 34 1.833 6.015 8.570 1.00 0.00 C ATOM 477 C ALA A 34 0.489 6.569 8.092 1.00 0.00 C ATOM 478 O ALA A 34 0.213 7.757 8.247 1.00 0.00 O ATOM 479 CB ALA A 34 2.993 6.440 7.666 1.00 0.00 C ATOM 0 H ALA A 34 2.264 4.087 7.871 1.00 0.00 H new ATOM 0 HA ALA A 34 2.024 6.425 9.562 1.00 0.00 H new ATOM 0 HB1 ALA A 34 3.044 7.528 7.627 1.00 0.00 H new ATOM 0 HB2 ALA A 34 3.928 6.047 8.065 1.00 0.00 H new ATOM 0 HB3 ALA A 34 2.834 6.048 6.661 1.00 0.00 H new ATOM 485 N GLN A 35 -0.311 5.680 7.521 1.00 0.00 N ATOM 486 CA GLN A 35 -1.619 6.065 7.019 1.00 0.00 C ATOM 487 C GLN A 35 -2.710 5.644 8.006 1.00 0.00 C ATOM 488 O GLN A 35 -3.824 5.315 7.602 1.00 0.00 O ATOM 489 CB GLN A 35 -1.873 5.467 5.634 1.00 0.00 C ATOM 490 CG GLN A 35 -0.989 6.135 4.579 1.00 0.00 C ATOM 491 CD GLN A 35 -1.385 7.599 4.379 1.00 0.00 C ATOM 492 OE1 GLN A 35 -2.545 7.938 4.208 1.00 0.00 O ATOM 493 NE2 GLN A 35 -0.360 8.446 4.410 1.00 0.00 N ATOM 0 H GLN A 35 -0.079 4.695 7.395 1.00 0.00 H new ATOM 0 HA GLN A 35 -1.644 7.150 6.920 1.00 0.00 H new ATOM 0 HB2 GLN A 35 -1.675 4.395 5.654 1.00 0.00 H new ATOM 0 HB3 GLN A 35 -2.922 5.592 5.367 1.00 0.00 H new ATOM 0 HG2 GLN A 35 0.056 6.076 4.884 1.00 0.00 H new ATOM 0 HG3 GLN A 35 -1.076 5.599 3.634 1.00 0.00 H new ATOM 0 HE21 GLN A 35 0.587 8.096 4.557 1.00 0.00 H new ATOM 0 HE22 GLN A 35 -0.521 9.446 4.287 1.00 0.00 H new ATOM 502 N ARG A 36 -2.351 5.669 9.281 1.00 0.00 N ATOM 503 CA ARG A 36 -3.286 5.294 10.329 1.00 0.00 C ATOM 504 C ARG A 36 -4.021 4.007 9.950 1.00 0.00 C ATOM 505 O ARG A 36 -5.189 3.831 10.291 1.00 0.00 O ATOM 506 CB ARG A 36 -4.310 6.404 10.576 1.00 0.00 C ATOM 507 CG ARG A 36 -3.629 7.674 11.089 1.00 0.00 C ATOM 508 CD ARG A 36 -3.356 7.581 12.592 1.00 0.00 C ATOM 509 NE ARG A 36 -1.907 7.399 12.833 1.00 0.00 N ATOM 510 CZ ARG A 36 -1.375 7.104 14.027 1.00 0.00 C ATOM 511 NH1 ARG A 36 -2.169 6.957 15.096 1.00 0.00 N ATOM 512 NH2 ARG A 36 -0.049 6.957 14.151 1.00 0.00 N ATOM 0 H ARG A 36 -1.426 5.943 9.612 1.00 0.00 H new ATOM 0 HA ARG A 36 -2.713 5.133 11.242 1.00 0.00 H new ATOM 0 HB2 ARG A 36 -4.845 6.622 9.652 1.00 0.00 H new ATOM 0 HB3 ARG A 36 -5.050 6.066 11.301 1.00 0.00 H new ATOM 0 HG2 ARG A 36 -2.692 7.830 10.555 1.00 0.00 H new ATOM 0 HG3 ARG A 36 -4.261 8.538 10.883 1.00 0.00 H new ATOM 0 HD2 ARG A 36 -3.705 8.486 13.090 1.00 0.00 H new ATOM 0 HD3 ARG A 36 -3.912 6.747 13.020 1.00 0.00 H new ATOM 0 HE ARG A 36 -1.274 7.505 12.040 1.00 0.00 H new ATOM 0 HH11 ARG A 36 -3.178 7.070 15.001 1.00 0.00 H new ATOM 0 HH12 ARG A 36 -1.764 6.732 16.005 1.00 0.00 H new ATOM 0 HH21 ARG A 36 0.555 7.070 13.337 1.00 0.00 H new ATOM 0 HH22 ARG A 36 0.356 6.732 15.060 1.00 0.00 H new ATOM 526 N GLY A 37 -3.305 3.140 9.249 1.00 0.00 N ATOM 527 CA GLY A 37 -3.875 1.874 8.819 1.00 0.00 C ATOM 528 C GLY A 37 -4.968 2.092 7.772 1.00 0.00 C ATOM 529 O GLY A 37 -6.006 1.433 7.806 1.00 0.00 O ATOM 0 H GLY A 37 -2.336 3.289 8.968 1.00 0.00 H new ATOM 0 HA2 GLY A 37 -3.091 1.240 8.405 1.00 0.00 H new ATOM 0 HA3 GLY A 37 -4.290 1.347 9.678 1.00 0.00 H new ATOM 533 N ASN A 38 -4.698 3.019 6.865 1.00 0.00 N ATOM 534 CA ASN A 38 -5.646 3.332 5.809 1.00 0.00 C ATOM 535 C ASN A 38 -5.112 2.804 4.476 1.00 0.00 C ATOM 536 O ASN A 38 -4.458 3.534 3.733 1.00 0.00 O ATOM 537 CB ASN A 38 -5.841 4.844 5.675 1.00 0.00 C ATOM 538 CG ASN A 38 -7.173 5.166 4.994 1.00 0.00 C ATOM 539 OD1 ASN A 38 -7.453 4.739 3.886 1.00 0.00 O ATOM 540 ND2 ASN A 38 -7.976 5.942 5.716 1.00 0.00 N ATOM 0 H ASN A 38 -3.836 3.564 6.839 1.00 0.00 H new ATOM 0 HA ASN A 38 -6.598 2.866 6.062 1.00 0.00 H new ATOM 0 HB2 ASN A 38 -5.811 5.307 6.661 1.00 0.00 H new ATOM 0 HB3 ASN A 38 -5.021 5.271 5.098 1.00 0.00 H new ATOM 0 HD21 ASN A 38 -8.888 6.214 5.349 1.00 0.00 H new ATOM 0 HD22 ASN A 38 -7.680 6.265 6.637 1.00 0.00 H new ATOM 547 N LYS A 39 -5.411 1.540 4.215 1.00 0.00 N ATOM 548 CA LYS A 39 -4.968 0.906 2.985 1.00 0.00 C ATOM 549 C LYS A 39 -5.175 1.871 1.815 1.00 0.00 C ATOM 550 O LYS A 39 -4.215 2.269 1.158 1.00 0.00 O ATOM 551 CB LYS A 39 -5.664 -0.444 2.798 1.00 0.00 C ATOM 552 CG LYS A 39 -5.350 -1.037 1.422 1.00 0.00 C ATOM 553 CD LYS A 39 -6.623 -1.543 0.740 1.00 0.00 C ATOM 554 CE LYS A 39 -6.309 -2.688 -0.225 1.00 0.00 C ATOM 555 NZ LYS A 39 -7.559 -3.299 -0.728 1.00 0.00 N ATOM 0 H LYS A 39 -5.954 0.938 4.834 1.00 0.00 H new ATOM 0 HA LYS A 39 -3.902 0.686 3.033 1.00 0.00 H new ATOM 0 HB2 LYS A 39 -5.342 -1.134 3.578 1.00 0.00 H new ATOM 0 HB3 LYS A 39 -6.741 -0.320 2.907 1.00 0.00 H new ATOM 0 HG2 LYS A 39 -4.874 -0.282 0.797 1.00 0.00 H new ATOM 0 HG3 LYS A 39 -4.640 -1.857 1.529 1.00 0.00 H new ATOM 0 HD2 LYS A 39 -7.334 -1.882 1.494 1.00 0.00 H new ATOM 0 HD3 LYS A 39 -7.099 -0.726 0.198 1.00 0.00 H new ATOM 0 HE2 LYS A 39 -5.718 -2.315 -1.061 1.00 0.00 H new ATOM 0 HE3 LYS A 39 -5.706 -3.442 0.280 1.00 0.00 H new ATOM 0 HZ1 LYS A 39 -7.328 -4.074 -1.382 1.00 0.00 H new ATOM 0 HZ2 LYS A 39 -8.109 -3.673 0.072 1.00 0.00 H new ATOM 0 HZ3 LYS A 39 -8.120 -2.580 -1.228 1.00 0.00 H new ATOM 569 N ASP A 40 -6.434 2.219 1.593 1.00 0.00 N ATOM 570 CA ASP A 40 -6.778 3.130 0.514 1.00 0.00 C ATOM 571 C ASP A 40 -5.754 4.266 0.465 1.00 0.00 C ATOM 572 O ASP A 40 -5.139 4.507 -0.573 1.00 0.00 O ATOM 573 CB ASP A 40 -8.160 3.749 0.736 1.00 0.00 C ATOM 574 CG ASP A 40 -9.276 3.169 -0.135 1.00 0.00 C ATOM 575 OD1 ASP A 40 -9.080 2.038 -0.629 1.00 0.00 O ATOM 576 OD2 ASP A 40 -10.300 3.870 -0.286 1.00 0.00 O ATOM 0 H ASP A 40 -7.228 1.887 2.141 1.00 0.00 H new ATOM 0 HA ASP A 40 -6.781 2.564 -0.417 1.00 0.00 H new ATOM 0 HB2 ASP A 40 -8.434 3.622 1.783 1.00 0.00 H new ATOM 0 HB3 ASP A 40 -8.095 4.821 0.551 1.00 0.00 H new ATOM 581 N ALA A 41 -5.602 4.933 1.599 1.00 0.00 N ATOM 582 CA ALA A 41 -4.663 6.037 1.698 1.00 0.00 C ATOM 583 C ALA A 41 -3.253 5.530 1.392 1.00 0.00 C ATOM 584 O ALA A 41 -2.466 6.224 0.749 1.00 0.00 O ATOM 585 CB ALA A 41 -4.766 6.672 3.087 1.00 0.00 C ATOM 0 H ALA A 41 -6.114 4.730 2.458 1.00 0.00 H new ATOM 0 HA ALA A 41 -4.901 6.810 0.968 1.00 0.00 H new ATOM 0 HB1 ALA A 41 -4.061 7.500 3.162 1.00 0.00 H new ATOM 0 HB2 ALA A 41 -5.779 7.042 3.244 1.00 0.00 H new ATOM 0 HB3 ALA A 41 -4.531 5.926 3.846 1.00 0.00 H new ATOM 591 N ALA A 42 -2.975 4.325 1.866 1.00 0.00 N ATOM 592 CA ALA A 42 -1.673 3.717 1.651 1.00 0.00 C ATOM 593 C ALA A 42 -1.445 3.528 0.150 1.00 0.00 C ATOM 594 O ALA A 42 -0.419 3.947 -0.384 1.00 0.00 O ATOM 595 CB ALA A 42 -1.590 2.399 2.423 1.00 0.00 C ATOM 0 H ALA A 42 -3.630 3.753 2.399 1.00 0.00 H new ATOM 0 HA ALA A 42 -0.881 4.365 2.026 1.00 0.00 H new ATOM 0 HB1 ALA A 42 -0.613 1.943 2.261 1.00 0.00 H new ATOM 0 HB2 ALA A 42 -1.729 2.591 3.487 1.00 0.00 H new ATOM 0 HB3 ALA A 42 -2.369 1.722 2.072 1.00 0.00 H new ATOM 601 N ILE A 43 -2.420 2.897 -0.489 1.00 0.00 N ATOM 602 CA ILE A 43 -2.338 2.648 -1.918 1.00 0.00 C ATOM 603 C ILE A 43 -2.047 3.962 -2.646 1.00 0.00 C ATOM 604 O ILE A 43 -1.096 4.050 -3.420 1.00 0.00 O ATOM 605 CB ILE A 43 -3.601 1.939 -2.411 1.00 0.00 C ATOM 606 CG1 ILE A 43 -3.680 0.513 -1.860 1.00 0.00 C ATOM 607 CG2 ILE A 43 -3.686 1.968 -3.939 1.00 0.00 C ATOM 608 CD1 ILE A 43 -5.072 -0.082 -2.079 1.00 0.00 C ATOM 0 H ILE A 43 -3.270 2.551 -0.043 1.00 0.00 H new ATOM 0 HA ILE A 43 -1.512 1.972 -2.139 1.00 0.00 H new ATOM 0 HB ILE A 43 -4.467 2.480 -2.030 1.00 0.00 H new ATOM 0 HG12 ILE A 43 -2.932 -0.112 -2.349 1.00 0.00 H new ATOM 0 HG13 ILE A 43 -3.445 0.517 -0.796 1.00 0.00 H new ATOM 0 HG21 ILE A 43 -4.593 1.457 -4.263 1.00 0.00 H new ATOM 0 HG22 ILE A 43 -3.710 3.002 -4.283 1.00 0.00 H new ATOM 0 HG23 ILE A 43 -2.816 1.465 -4.361 1.00 0.00 H new ATOM 0 HD11 ILE A 43 -5.102 -1.095 -1.679 1.00 0.00 H new ATOM 0 HD12 ILE A 43 -5.814 0.532 -1.569 1.00 0.00 H new ATOM 0 HD13 ILE A 43 -5.293 -0.107 -3.146 1.00 0.00 H new ATOM 620 N ASN A 44 -2.885 4.951 -2.370 1.00 0.00 N ATOM 621 CA ASN A 44 -2.729 6.257 -2.989 1.00 0.00 C ATOM 622 C ASN A 44 -1.313 6.774 -2.729 1.00 0.00 C ATOM 623 O ASN A 44 -0.656 7.278 -3.639 1.00 0.00 O ATOM 624 CB ASN A 44 -3.717 7.266 -2.400 1.00 0.00 C ATOM 625 CG ASN A 44 -3.450 8.673 -2.939 1.00 0.00 C ATOM 626 OD1 ASN A 44 -2.588 8.893 -3.774 1.00 0.00 O ATOM 627 ND2 ASN A 44 -4.237 9.610 -2.418 1.00 0.00 N ATOM 0 H ASN A 44 -3.673 4.874 -1.727 1.00 0.00 H new ATOM 0 HA ASN A 44 -2.917 6.149 -4.057 1.00 0.00 H new ATOM 0 HB2 ASN A 44 -4.736 6.967 -2.643 1.00 0.00 H new ATOM 0 HB3 ASN A 44 -3.636 7.268 -1.313 1.00 0.00 H new ATOM 0 HD21 ASN A 44 -4.139 10.581 -2.714 1.00 0.00 H new ATOM 0 HD22 ASN A 44 -4.939 9.357 -1.722 1.00 0.00 H new ATOM 634 N SER A 45 -0.884 6.632 -1.483 1.00 0.00 N ATOM 635 CA SER A 45 0.442 7.079 -1.093 1.00 0.00 C ATOM 636 C SER A 45 1.503 6.360 -1.928 1.00 0.00 C ATOM 637 O SER A 45 2.329 7.002 -2.575 1.00 0.00 O ATOM 638 CB SER A 45 0.687 6.838 0.398 1.00 0.00 C ATOM 639 OG SER A 45 1.227 7.988 1.043 1.00 0.00 O ATOM 0 H SER A 45 -1.432 6.214 -0.731 1.00 0.00 H new ATOM 0 HA SER A 45 0.510 8.151 -1.277 1.00 0.00 H new ATOM 0 HB2 SER A 45 -0.251 6.559 0.879 1.00 0.00 H new ATOM 0 HB3 SER A 45 1.371 5.998 0.522 1.00 0.00 H new ATOM 0 HG SER A 45 1.367 7.794 1.993 1.00 0.00 H new ATOM 645 N LEU A 46 1.447 5.037 -1.887 1.00 0.00 N ATOM 646 CA LEU A 46 2.393 4.224 -2.632 1.00 0.00 C ATOM 647 C LEU A 46 2.364 4.635 -4.105 1.00 0.00 C ATOM 648 O LEU A 46 3.404 4.927 -4.693 1.00 0.00 O ATOM 649 CB LEU A 46 2.118 2.736 -2.403 1.00 0.00 C ATOM 650 CG LEU A 46 2.432 2.203 -1.004 1.00 0.00 C ATOM 651 CD1 LEU A 46 1.376 1.192 -0.552 1.00 0.00 C ATOM 652 CD2 LEU A 46 3.846 1.621 -0.943 1.00 0.00 C ATOM 0 H LEU A 46 0.761 4.508 -1.349 1.00 0.00 H new ATOM 0 HA LEU A 46 3.408 4.396 -2.273 1.00 0.00 H new ATOM 0 HB2 LEU A 46 1.066 2.544 -2.615 1.00 0.00 H new ATOM 0 HB3 LEU A 46 2.699 2.164 -3.127 1.00 0.00 H new ATOM 0 HG LEU A 46 2.397 3.039 -0.305 1.00 0.00 H new ATOM 0 HD11 LEU A 46 1.623 0.829 0.446 1.00 0.00 H new ATOM 0 HD12 LEU A 46 0.398 1.672 -0.531 1.00 0.00 H new ATOM 0 HD13 LEU A 46 1.354 0.353 -1.248 1.00 0.00 H new ATOM 0 HD21 LEU A 46 4.043 1.249 0.062 1.00 0.00 H new ATOM 0 HD22 LEU A 46 3.933 0.802 -1.656 1.00 0.00 H new ATOM 0 HD23 LEU A 46 4.570 2.397 -1.191 1.00 0.00 H new ATOM 664 N LEU A 47 1.160 4.647 -4.659 1.00 0.00 N ATOM 665 CA LEU A 47 0.981 5.018 -6.052 1.00 0.00 C ATOM 666 C LEU A 47 1.884 6.210 -6.378 1.00 0.00 C ATOM 667 O LEU A 47 2.744 6.120 -7.253 1.00 0.00 O ATOM 668 CB LEU A 47 -0.498 5.266 -6.355 1.00 0.00 C ATOM 669 CG LEU A 47 -1.158 4.284 -7.326 1.00 0.00 C ATOM 670 CD1 LEU A 47 -2.571 4.741 -7.691 1.00 0.00 C ATOM 671 CD2 LEU A 47 -0.286 4.070 -8.565 1.00 0.00 C ATOM 0 H LEU A 47 0.299 4.406 -4.168 1.00 0.00 H new ATOM 0 HA LEU A 47 1.283 4.200 -6.706 1.00 0.00 H new ATOM 0 HB2 LEU A 47 -1.050 5.243 -5.415 1.00 0.00 H new ATOM 0 HB3 LEU A 47 -0.601 6.272 -6.761 1.00 0.00 H new ATOM 0 HG LEU A 47 -1.251 3.319 -6.827 1.00 0.00 H new ATOM 0 HD11 LEU A 47 -3.018 4.026 -8.382 1.00 0.00 H new ATOM 0 HD12 LEU A 47 -3.179 4.801 -6.788 1.00 0.00 H new ATOM 0 HD13 LEU A 47 -2.525 5.722 -8.164 1.00 0.00 H new ATOM 0 HD21 LEU A 47 -0.777 3.368 -9.239 1.00 0.00 H new ATOM 0 HD22 LEU A 47 -0.140 5.022 -9.076 1.00 0.00 H new ATOM 0 HD23 LEU A 47 0.681 3.667 -8.264 1.00 0.00 H new ATOM 683 N GLN A 48 1.657 7.298 -5.657 1.00 0.00 N ATOM 684 CA GLN A 48 2.439 8.506 -5.858 1.00 0.00 C ATOM 685 C GLN A 48 3.915 8.238 -5.560 1.00 0.00 C ATOM 686 O GLN A 48 4.773 8.443 -6.417 1.00 0.00 O ATOM 687 CB GLN A 48 1.905 9.654 -4.999 1.00 0.00 C ATOM 688 CG GLN A 48 1.445 10.823 -5.872 1.00 0.00 C ATOM 689 CD GLN A 48 1.877 12.161 -5.268 1.00 0.00 C ATOM 690 OE1 GLN A 48 2.818 12.797 -5.714 1.00 0.00 O ATOM 691 NE2 GLN A 48 1.140 12.551 -4.232 1.00 0.00 N ATOM 0 H GLN A 48 0.942 7.368 -4.933 1.00 0.00 H new ATOM 0 HA GLN A 48 2.348 8.805 -6.902 1.00 0.00 H new ATOM 0 HB2 GLN A 48 1.073 9.301 -4.390 1.00 0.00 H new ATOM 0 HB3 GLN A 48 2.682 9.991 -4.313 1.00 0.00 H new ATOM 0 HG2 GLN A 48 1.863 10.720 -6.874 1.00 0.00 H new ATOM 0 HG3 GLN A 48 0.360 10.800 -5.975 1.00 0.00 H new ATOM 0 HE21 GLN A 48 0.366 11.970 -3.909 1.00 0.00 H new ATOM 0 HE22 GLN A 48 1.349 13.431 -3.760 1.00 0.00 H new ATOM 700 N MET A 49 4.167 7.784 -4.341 1.00 0.00 N ATOM 701 CA MET A 49 5.525 7.486 -3.918 1.00 0.00 C ATOM 702 C MET A 49 6.298 6.767 -5.026 1.00 0.00 C ATOM 703 O MET A 49 5.857 5.733 -5.526 1.00 0.00 O ATOM 704 CB MET A 49 5.489 6.607 -2.667 1.00 0.00 C ATOM 705 CG MET A 49 4.999 7.399 -1.454 1.00 0.00 C ATOM 706 SD MET A 49 4.623 6.287 -0.109 1.00 0.00 S ATOM 707 CE MET A 49 6.258 5.661 0.241 1.00 0.00 C ATOM 0 H MET A 49 3.453 7.615 -3.632 1.00 0.00 H new ATOM 0 HA MET A 49 6.032 8.425 -3.697 1.00 0.00 H new ATOM 0 HB2 MET A 49 4.833 5.753 -2.837 1.00 0.00 H new ATOM 0 HB3 MET A 49 6.485 6.210 -2.468 1.00 0.00 H new ATOM 0 HG2 MET A 49 5.762 8.113 -1.144 1.00 0.00 H new ATOM 0 HG3 MET A 49 4.112 7.975 -1.719 1.00 0.00 H new ATOM 0 HE1 MET A 49 6.266 5.196 1.227 1.00 0.00 H new ATOM 0 HE2 MET A 49 6.533 4.922 -0.511 1.00 0.00 H new ATOM 0 HE3 MET A 49 6.974 6.483 0.222 1.00 0.00 H new ATOM 717 N GLY A 50 7.439 7.343 -5.377 1.00 0.00 N ATOM 718 CA GLY A 50 8.277 6.770 -6.416 1.00 0.00 C ATOM 719 C GLY A 50 7.809 7.211 -7.804 1.00 0.00 C ATOM 720 O GLY A 50 8.046 8.348 -8.211 1.00 0.00 O ATOM 0 H GLY A 50 7.802 8.200 -4.960 1.00 0.00 H new ATOM 0 HA2 GLY A 50 9.312 7.076 -6.263 1.00 0.00 H new ATOM 0 HA3 GLY A 50 8.253 5.682 -6.349 1.00 0.00 H new ATOM 724 N GLU A 51 7.153 6.289 -8.493 1.00 0.00 N ATOM 725 CA GLU A 51 6.649 6.568 -9.827 1.00 0.00 C ATOM 726 C GLU A 51 5.484 5.634 -10.161 1.00 0.00 C ATOM 727 O GLU A 51 5.532 4.443 -9.856 1.00 0.00 O ATOM 728 CB GLU A 51 7.762 6.451 -10.869 1.00 0.00 C ATOM 729 CG GLU A 51 8.253 5.006 -10.987 1.00 0.00 C ATOM 730 CD GLU A 51 9.779 4.951 -11.071 1.00 0.00 C ATOM 731 OE1 GLU A 51 10.310 5.441 -12.091 1.00 0.00 O ATOM 732 OE2 GLU A 51 10.381 4.419 -10.113 1.00 0.00 O ATOM 0 H GLU A 51 6.959 5.347 -8.152 1.00 0.00 H new ATOM 0 HA GLU A 51 6.283 7.595 -9.848 1.00 0.00 H new ATOM 0 HB2 GLU A 51 7.397 6.795 -11.837 1.00 0.00 H new ATOM 0 HB3 GLU A 51 8.593 7.100 -10.593 1.00 0.00 H new ATOM 0 HG2 GLU A 51 7.912 4.431 -10.126 1.00 0.00 H new ATOM 0 HG3 GLU A 51 7.819 4.542 -11.873 1.00 0.00 H new ATOM 739 N GLU A 52 4.466 6.209 -10.783 1.00 0.00 N ATOM 740 CA GLU A 52 3.291 5.443 -11.162 1.00 0.00 C ATOM 741 C GLU A 52 3.695 4.237 -12.012 1.00 0.00 C ATOM 742 O GLU A 52 4.756 4.239 -12.634 1.00 0.00 O ATOM 743 CB GLU A 52 2.279 6.320 -11.901 1.00 0.00 C ATOM 744 CG GLU A 52 1.135 6.738 -10.975 1.00 0.00 C ATOM 745 CD GLU A 52 0.965 8.259 -10.965 1.00 0.00 C ATOM 746 OE1 GLU A 52 1.976 8.941 -10.691 1.00 0.00 O ATOM 747 OE2 GLU A 52 -0.172 8.705 -11.231 1.00 0.00 O ATOM 0 H GLU A 52 4.430 7.197 -11.034 1.00 0.00 H new ATOM 0 HA GLU A 52 2.811 5.078 -10.254 1.00 0.00 H new ATOM 0 HB2 GLU A 52 2.778 7.207 -12.291 1.00 0.00 H new ATOM 0 HB3 GLU A 52 1.879 5.777 -12.757 1.00 0.00 H new ATOM 0 HG2 GLU A 52 0.208 6.267 -11.301 1.00 0.00 H new ATOM 0 HG3 GLU A 52 1.333 6.384 -9.963 1.00 0.00 H new ATOM 754 N PRO A 53 2.805 3.208 -12.011 1.00 0.00 N ATOM 755 CA PRO A 53 3.058 1.998 -12.774 1.00 0.00 C ATOM 756 C PRO A 53 2.834 2.236 -14.269 1.00 0.00 C ATOM 757 O PRO A 53 3.285 1.450 -15.100 1.00 0.00 O ATOM 758 CB PRO A 53 2.114 0.960 -12.190 1.00 0.00 C ATOM 759 CG PRO A 53 1.046 1.741 -11.442 1.00 0.00 C ATOM 760 CD PRO A 53 1.538 3.171 -11.285 1.00 0.00 C ATOM 0 HA PRO A 53 4.092 1.662 -12.700 1.00 0.00 H new ATOM 0 HB2 PRO A 53 1.672 0.348 -12.976 1.00 0.00 H new ATOM 0 HB3 PRO A 53 2.644 0.283 -11.520 1.00 0.00 H new ATOM 0 HG2 PRO A 53 0.104 1.719 -11.989 1.00 0.00 H new ATOM 0 HG3 PRO A 53 0.858 1.293 -10.466 1.00 0.00 H new ATOM 0 HD2 PRO A 53 0.824 3.883 -11.698 1.00 0.00 H new ATOM 0 HD3 PRO A 53 1.675 3.430 -10.235 1.00 0.00 H new ATOM 768 N SER A 54 2.139 3.324 -14.565 1.00 0.00 N ATOM 769 CA SER A 54 1.850 3.675 -15.945 1.00 0.00 C ATOM 770 C SER A 54 3.153 3.937 -16.702 1.00 0.00 C ATOM 771 O SER A 54 4.100 4.489 -16.144 1.00 0.00 O ATOM 772 CB SER A 54 0.937 4.900 -16.022 1.00 0.00 C ATOM 773 OG SER A 54 0.632 5.255 -17.368 1.00 0.00 O ATOM 0 H SER A 54 1.767 3.974 -13.873 1.00 0.00 H new ATOM 0 HA SER A 54 1.329 2.837 -16.409 1.00 0.00 H new ATOM 0 HB2 SER A 54 0.012 4.697 -15.482 1.00 0.00 H new ATOM 0 HB3 SER A 54 1.418 5.742 -15.525 1.00 0.00 H new ATOM 0 HG SER A 54 0.046 6.040 -17.374 1.00 0.00 H new ATOM 779 N GLY A 55 3.161 3.527 -17.962 1.00 0.00 N ATOM 780 CA GLY A 55 4.332 3.710 -18.802 1.00 0.00 C ATOM 781 C GLY A 55 3.932 4.131 -20.217 1.00 0.00 C ATOM 782 O GLY A 55 3.800 5.321 -20.500 1.00 0.00 O ATOM 0 H GLY A 55 2.374 3.068 -18.422 1.00 0.00 H new ATOM 0 HA2 GLY A 55 4.983 4.467 -18.364 1.00 0.00 H new ATOM 0 HA3 GLY A 55 4.903 2.783 -18.843 1.00 0.00 H new ATOM 786 N PRO A 56 3.746 3.106 -21.091 1.00 0.00 N ATOM 787 CA PRO A 56 3.364 3.359 -22.470 1.00 0.00 C ATOM 788 C PRO A 56 1.889 3.755 -22.567 1.00 0.00 C ATOM 789 O PRO A 56 1.555 4.778 -23.162 1.00 0.00 O ATOM 790 CB PRO A 56 3.682 2.069 -23.209 1.00 0.00 C ATOM 791 CG PRO A 56 3.794 0.994 -22.141 1.00 0.00 C ATOM 792 CD PRO A 56 3.894 1.685 -20.791 1.00 0.00 C ATOM 0 HA PRO A 56 3.904 4.198 -22.909 1.00 0.00 H new ATOM 0 HB2 PRO A 56 2.898 1.827 -23.927 1.00 0.00 H new ATOM 0 HB3 PRO A 56 4.612 2.160 -23.771 1.00 0.00 H new ATOM 0 HG2 PRO A 56 2.925 0.336 -22.169 1.00 0.00 H new ATOM 0 HG3 PRO A 56 4.671 0.371 -22.317 1.00 0.00 H new ATOM 0 HD2 PRO A 56 3.115 1.340 -20.111 1.00 0.00 H new ATOM 0 HD3 PRO A 56 4.850 1.479 -20.310 1.00 0.00 H new ATOM 800 N SER A 57 1.046 2.923 -21.972 1.00 0.00 N ATOM 801 CA SER A 57 -0.385 3.173 -21.984 1.00 0.00 C ATOM 802 C SER A 57 -0.949 2.921 -23.383 1.00 0.00 C ATOM 803 O SER A 57 -1.706 1.973 -23.590 1.00 0.00 O ATOM 804 CB SER A 57 -0.698 4.602 -21.535 1.00 0.00 C ATOM 805 OG SER A 57 0.036 4.968 -20.370 1.00 0.00 O ATOM 0 H SER A 57 1.327 2.076 -21.479 1.00 0.00 H new ATOM 0 HA SER A 57 -0.858 2.488 -21.280 1.00 0.00 H new ATOM 0 HB2 SER A 57 -0.465 5.295 -22.343 1.00 0.00 H new ATOM 0 HB3 SER A 57 -1.766 4.694 -21.335 1.00 0.00 H new ATOM 0 HG SER A 57 -0.190 5.887 -20.116 1.00 0.00 H new ATOM 811 N SER A 58 -0.560 3.786 -24.308 1.00 0.00 N ATOM 812 CA SER A 58 -1.017 3.668 -25.682 1.00 0.00 C ATOM 813 C SER A 58 -2.534 3.860 -25.747 1.00 0.00 C ATOM 814 O SER A 58 -3.291 2.901 -25.603 1.00 0.00 O ATOM 815 CB SER A 58 -0.627 2.315 -26.279 1.00 0.00 C ATOM 816 OG SER A 58 0.088 2.457 -27.504 1.00 0.00 O ATOM 0 H SER A 58 0.067 4.572 -24.133 1.00 0.00 H new ATOM 0 HA SER A 58 -0.533 4.447 -26.271 1.00 0.00 H new ATOM 0 HB2 SER A 58 -0.015 1.766 -25.564 1.00 0.00 H new ATOM 0 HB3 SER A 58 -1.525 1.722 -26.450 1.00 0.00 H new ATOM 0 HG SER A 58 0.320 1.571 -27.852 1.00 0.00 H new ATOM 822 N GLY A 59 -2.933 5.104 -25.964 1.00 0.00 N ATOM 823 CA GLY A 59 -4.345 5.434 -26.050 1.00 0.00 C ATOM 824 C GLY A 59 -4.618 6.379 -27.221 1.00 0.00 C ATOM 825 O GLY A 59 -4.411 7.587 -27.110 1.00 0.00 O ATOM 0 H GLY A 59 -2.302 5.897 -26.083 1.00 0.00 H new ATOM 0 HA2 GLY A 59 -4.928 4.521 -26.171 1.00 0.00 H new ATOM 0 HA3 GLY A 59 -4.671 5.899 -25.120 1.00 0.00 H new TER 829 GLY A 59