USER MOD reduce.3.24.130724 H: found=0, std=0, add=766, rem=0, adj=29 USER MOD reduce.3.24.130724 removed 764 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 74 THR OG1 : rot 180:sc= 0 USER MOD Set 1.2: A 76 THR OG1 : rot 180:sc= 0 USER MOD Set 2.1: A 43 MET CE :methyl -163:sc= -0.0666 (180deg=-0.433) USER MOD Set 2.2: A 46 MET CE :methyl -153:sc= -0.168 (180deg=-0.77) USER MOD Set 3.1: A 24 SER OG : rot -68:sc= -0.0078 USER MOD Set 3.2: A 53 LYS NZ :NH3+ -120:sc= -0.411 (180deg=-3.53!) USER MOD Single : A 1 GLY N :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 2 SER OG : rot 180:sc= 0 USER MOD Single : A 3 SER OG : rot 180:sc=-0.000665 USER MOD Single : A 5 SER OG : rot 25:sc= 0.0926 USER MOD Single : A 6 SER OG : rot 180:sc= 0 USER MOD Single : A 8 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 9 SER OG : rot 180:sc= -0.086 USER MOD Single : A 14 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 16 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 18 SER OG : rot 180:sc= 0 USER MOD Single : A 19 GLN : amide:sc= -0.0141 K(o=-0.014,f=-1.3) USER MOD Single : A 22 TYR OH : rot 180:sc= 0 USER MOD Single : A 25 THR OG1 : rot 180:sc= 0 USER MOD Single : A 26 TYR OH : rot 180:sc= 0 USER MOD Single : A 30 GLN : amide:sc= -1.36 K(o=-1.4,f=-3.8!) USER MOD Single : A 31 TYR OH : rot 180:sc= 0 USER MOD Single : A 34 LYS NZ :NH3+ 150:sc= -0.0756 (180deg=-1.27) USER MOD Single : A 35 ASN : amide:sc= -1.11 K(o=-1.1,f=-1.7!) USER MOD Single : A 37 THR OG1 : rot 180:sc= 0 USER MOD Single : A 38 GLN : amide:sc= -1.2 K(o=-1.2,f=-3!) USER MOD Single : A 39 CYS SG : rot 180:sc=0.000497 USER MOD Single : A 42 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 44 THR OG1 : rot 180:sc= 0 USER MOD Single : A 45 ASN : amide:sc= -2.11! C(o=-2.1!,f=-6.8!) USER MOD Single : A 47 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 55 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 56 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 57 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 59 THR OG1 : rot -171:sc= 0.014 USER MOD Single : A 62 GLN : amide:sc= -0.251 K(o=-0.25,f=-1.2) USER MOD Single : A 64 HIS : no HD1:sc= 0 X(o=0,f=0) USER MOD Single : A 65 ASN : amide:sc= -0.134 K(o=-0.13,f=-2.5!) USER MOD Single : A 66 GLN : amide:sc= -1.02 K(o=-1,f=-2.3!) USER MOD Single : A 69 THR OG1 : rot 180:sc= 0 USER MOD Single : A 73 SER OG : rot 180:sc= 0 USER MOD Single : A 75 ASN : amide:sc= -1.93! C(o=-1.9!,f=-3.8!) USER MOD Single : A 78 THR OG1 : rot 180:sc= -0.177 USER MOD Single : A 81 GLN : amide:sc= -0.088 K(o=-0.088,f=-1.4) USER MOD Single : A 83 GLN : amide:sc= -1.12 K(o=-1.1,f=-1.8!) USER MOD Single : A 84 THR OG1 : rot 180:sc= 0 USER MOD Single : A 86 THR OG1 : rot 180:sc= 0 USER MOD Single : A 88 GLN : amide:sc= -1.87 K(o=-1.9,f=-1.3) USER MOD Single : A 92 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 94 SER OG : rot 180:sc= 0 USER MOD Single : A 97 SER OG : rot 180:sc= -0.193 USER MOD Single : A 98 SER OG : rot 24:sc= 0.899 USER MOD ----------------------------------------------------------------- ATOM 1 N GLY A 1 6.850 -2.614 -22.566 1.00 0.00 N ATOM 2 CA GLY A 1 7.427 -2.263 -23.851 1.00 0.00 C ATOM 3 C GLY A 1 8.580 -3.167 -24.235 1.00 0.00 C ATOM 4 O GLY A 1 9.657 -2.692 -24.595 1.00 0.00 O ATOM 0 H1 GLY A 1 6.066 -1.966 -22.349 1.00 0.00 H new ATOM 0 H2 GLY A 1 6.493 -3.590 -22.601 1.00 0.00 H new ATOM 0 H3 GLY A 1 7.577 -2.537 -21.826 1.00 0.00 H new ATOM 0 HA2 GLY A 1 6.656 -2.317 -24.619 1.00 0.00 H new ATOM 0 HA3 GLY A 1 7.774 -1.230 -23.820 1.00 0.00 H new ATOM 8 N SER A 2 8.356 -4.475 -24.157 1.00 0.00 N ATOM 9 CA SER A 2 9.388 -5.449 -24.494 1.00 0.00 C ATOM 10 C SER A 2 9.470 -5.652 -26.004 1.00 0.00 C ATOM 11 O SER A 2 8.449 -5.735 -26.687 1.00 0.00 O ATOM 12 CB SER A 2 9.105 -6.784 -23.803 1.00 0.00 C ATOM 13 OG SER A 2 9.327 -6.692 -22.406 1.00 0.00 O ATOM 0 H SER A 2 7.469 -4.885 -23.863 1.00 0.00 H new ATOM 0 HA SER A 2 10.345 -5.063 -24.144 1.00 0.00 H new ATOM 0 HB2 SER A 2 8.074 -7.083 -23.992 1.00 0.00 H new ATOM 0 HB3 SER A 2 9.744 -7.559 -24.226 1.00 0.00 H new ATOM 0 HG SER A 2 9.138 -7.557 -21.987 1.00 0.00 H new ATOM 19 N SER A 3 10.693 -5.732 -26.519 1.00 0.00 N ATOM 20 CA SER A 3 10.911 -5.922 -27.948 1.00 0.00 C ATOM 21 C SER A 3 10.847 -7.401 -28.315 1.00 0.00 C ATOM 22 O SER A 3 10.165 -7.788 -29.263 1.00 0.00 O ATOM 23 CB SER A 3 12.264 -5.340 -28.361 1.00 0.00 C ATOM 24 OG SER A 3 13.308 -5.855 -27.554 1.00 0.00 O ATOM 0 H SER A 3 11.548 -5.668 -25.967 1.00 0.00 H new ATOM 0 HA SER A 3 10.120 -5.398 -28.484 1.00 0.00 H new ATOM 0 HB2 SER A 3 12.460 -5.574 -29.407 1.00 0.00 H new ATOM 0 HB3 SER A 3 12.237 -4.254 -28.277 1.00 0.00 H new ATOM 0 HG SER A 3 14.163 -5.469 -27.839 1.00 0.00 H new ATOM 30 N GLY A 4 11.564 -8.224 -27.556 1.00 0.00 N ATOM 31 CA GLY A 4 11.576 -9.652 -27.817 1.00 0.00 C ATOM 32 C GLY A 4 11.560 -10.474 -26.543 1.00 0.00 C ATOM 33 O GLY A 4 10.606 -11.206 -26.281 1.00 0.00 O ATOM 0 H GLY A 4 12.136 -7.928 -26.765 1.00 0.00 H new ATOM 0 HA2 GLY A 4 10.711 -9.914 -28.426 1.00 0.00 H new ATOM 0 HA3 GLY A 4 12.463 -9.905 -28.398 1.00 0.00 H new ATOM 37 N SER A 5 12.620 -10.355 -25.750 1.00 0.00 N ATOM 38 CA SER A 5 12.727 -11.097 -24.500 1.00 0.00 C ATOM 39 C SER A 5 13.483 -10.288 -23.450 1.00 0.00 C ATOM 40 O SER A 5 14.645 -9.929 -23.646 1.00 0.00 O ATOM 41 CB SER A 5 13.431 -12.434 -24.734 1.00 0.00 C ATOM 42 OG SER A 5 12.512 -13.428 -25.154 1.00 0.00 O ATOM 0 H SER A 5 13.417 -9.751 -25.951 1.00 0.00 H new ATOM 0 HA SER A 5 11.719 -11.285 -24.131 1.00 0.00 H new ATOM 0 HB2 SER A 5 14.209 -12.312 -25.488 1.00 0.00 H new ATOM 0 HB3 SER A 5 13.924 -12.755 -23.816 1.00 0.00 H new ATOM 0 HG SER A 5 11.740 -13.001 -25.580 1.00 0.00 H new ATOM 48 N SER A 6 12.816 -10.004 -22.336 1.00 0.00 N ATOM 49 CA SER A 6 13.423 -9.234 -21.257 1.00 0.00 C ATOM 50 C SER A 6 14.687 -9.919 -20.745 1.00 0.00 C ATOM 51 O SER A 6 14.695 -11.124 -20.493 1.00 0.00 O ATOM 52 CB SER A 6 12.428 -9.052 -20.110 1.00 0.00 C ATOM 53 OG SER A 6 12.974 -8.242 -19.084 1.00 0.00 O ATOM 0 H SER A 6 11.855 -10.296 -22.157 1.00 0.00 H new ATOM 0 HA SER A 6 13.695 -8.255 -21.651 1.00 0.00 H new ATOM 0 HB2 SER A 6 11.512 -8.597 -20.488 1.00 0.00 H new ATOM 0 HB3 SER A 6 12.156 -10.026 -19.703 1.00 0.00 H new ATOM 0 HG SER A 6 12.317 -8.140 -18.364 1.00 0.00 H new ATOM 59 N GLY A 7 15.754 -9.141 -20.594 1.00 0.00 N ATOM 60 CA GLY A 7 17.009 -9.689 -20.113 1.00 0.00 C ATOM 61 C GLY A 7 17.894 -8.638 -19.474 1.00 0.00 C ATOM 62 O GLY A 7 18.693 -7.991 -20.152 1.00 0.00 O ATOM 0 H GLY A 7 15.772 -8.141 -20.796 1.00 0.00 H new ATOM 0 HA2 GLY A 7 16.804 -10.476 -19.388 1.00 0.00 H new ATOM 0 HA3 GLY A 7 17.542 -10.152 -20.944 1.00 0.00 H new ATOM 66 N LYS A 8 17.752 -8.464 -18.164 1.00 0.00 N ATOM 67 CA LYS A 8 18.544 -7.483 -17.432 1.00 0.00 C ATOM 68 C LYS A 8 19.821 -8.113 -16.885 1.00 0.00 C ATOM 69 O LYS A 8 19.868 -9.314 -16.622 1.00 0.00 O ATOM 70 CB LYS A 8 17.724 -6.889 -16.284 1.00 0.00 C ATOM 71 CG LYS A 8 16.806 -5.758 -16.713 1.00 0.00 C ATOM 72 CD LYS A 8 17.468 -4.402 -16.529 1.00 0.00 C ATOM 73 CE LYS A 8 18.122 -3.921 -17.815 1.00 0.00 C ATOM 74 NZ LYS A 8 17.189 -3.104 -18.640 1.00 0.00 N ATOM 0 H LYS A 8 17.095 -8.990 -17.588 1.00 0.00 H new ATOM 0 HA LYS A 8 18.820 -6.687 -18.124 1.00 0.00 H new ATOM 0 HB2 LYS A 8 17.126 -7.679 -15.830 1.00 0.00 H new ATOM 0 HB3 LYS A 8 18.404 -6.522 -15.515 1.00 0.00 H new ATOM 0 HG2 LYS A 8 16.529 -5.890 -17.759 1.00 0.00 H new ATOM 0 HG3 LYS A 8 15.884 -5.796 -16.132 1.00 0.00 H new ATOM 0 HD2 LYS A 8 16.725 -3.674 -16.204 1.00 0.00 H new ATOM 0 HD3 LYS A 8 18.218 -4.466 -15.740 1.00 0.00 H new ATOM 0 HE2 LYS A 8 19.006 -3.330 -17.574 1.00 0.00 H new ATOM 0 HE3 LYS A 8 18.461 -4.780 -18.394 1.00 0.00 H new ATOM 0 HZ1 LYS A 8 17.672 -2.795 -19.508 1.00 0.00 H new ATOM 0 HZ2 LYS A 8 16.357 -3.675 -18.892 1.00 0.00 H new ATOM 0 HZ3 LYS A 8 16.885 -2.270 -18.098 1.00 0.00 H new ATOM 88 N SER A 9 20.854 -7.294 -16.716 1.00 0.00 N ATOM 89 CA SER A 9 22.133 -7.772 -16.203 1.00 0.00 C ATOM 90 C SER A 9 22.227 -7.558 -14.696 1.00 0.00 C ATOM 91 O SER A 9 21.527 -6.717 -14.132 1.00 0.00 O ATOM 92 CB SER A 9 23.288 -7.056 -16.905 1.00 0.00 C ATOM 93 OG SER A 9 24.461 -7.851 -16.897 1.00 0.00 O ATOM 0 H SER A 9 20.831 -6.296 -16.927 1.00 0.00 H new ATOM 0 HA SER A 9 22.202 -8.841 -16.406 1.00 0.00 H new ATOM 0 HB2 SER A 9 23.007 -6.827 -17.933 1.00 0.00 H new ATOM 0 HB3 SER A 9 23.486 -6.106 -16.409 1.00 0.00 H new ATOM 0 HG SER A 9 25.184 -7.372 -17.353 1.00 0.00 H new ATOM 99 N ILE A 10 23.099 -8.325 -14.049 1.00 0.00 N ATOM 100 CA ILE A 10 23.287 -8.219 -12.608 1.00 0.00 C ATOM 101 C ILE A 10 21.975 -8.446 -11.864 1.00 0.00 C ATOM 102 O ILE A 10 21.576 -7.638 -11.026 1.00 0.00 O ATOM 103 CB ILE A 10 23.855 -6.843 -12.214 1.00 0.00 C ATOM 104 CG1 ILE A 10 25.100 -6.524 -13.044 1.00 0.00 C ATOM 105 CG2 ILE A 10 24.180 -6.810 -10.728 1.00 0.00 C ATOM 106 CD1 ILE A 10 24.790 -5.866 -14.370 1.00 0.00 C ATOM 0 H ILE A 10 23.686 -9.026 -14.501 1.00 0.00 H new ATOM 0 HA ILE A 10 24.001 -8.993 -12.326 1.00 0.00 H new ATOM 0 HB ILE A 10 23.101 -6.083 -12.418 1.00 0.00 H new ATOM 0 HG12 ILE A 10 25.754 -5.870 -12.467 1.00 0.00 H new ATOM 0 HG13 ILE A 10 25.652 -7.446 -13.226 1.00 0.00 H new ATOM 0 HG21 ILE A 10 24.581 -5.831 -10.465 1.00 0.00 H new ATOM 0 HG22 ILE A 10 23.273 -6.998 -10.153 1.00 0.00 H new ATOM 0 HG23 ILE A 10 24.919 -7.578 -10.500 1.00 0.00 H new ATOM 0 HD11 ILE A 10 25.719 -5.669 -14.904 1.00 0.00 H new ATOM 0 HD12 ILE A 10 24.162 -6.528 -14.966 1.00 0.00 H new ATOM 0 HD13 ILE A 10 24.265 -4.927 -14.196 1.00 0.00 H new ATOM 118 N ARG A 11 21.309 -9.553 -12.176 1.00 0.00 N ATOM 119 CA ARG A 11 20.042 -9.888 -11.537 1.00 0.00 C ATOM 120 C ARG A 11 20.270 -10.443 -10.134 1.00 0.00 C ATOM 121 O ARG A 11 20.317 -11.658 -9.935 1.00 0.00 O ATOM 122 CB ARG A 11 19.274 -10.907 -12.381 1.00 0.00 C ATOM 123 CG ARG A 11 18.798 -10.357 -13.716 1.00 0.00 C ATOM 124 CD ARG A 11 17.413 -9.741 -13.603 1.00 0.00 C ATOM 125 NE ARG A 11 17.459 -8.382 -13.071 1.00 0.00 N ATOM 126 CZ ARG A 11 16.430 -7.543 -13.107 1.00 0.00 C ATOM 127 NH1 ARG A 11 15.280 -7.923 -13.646 1.00 0.00 N ATOM 128 NH2 ARG A 11 16.550 -6.322 -12.602 1.00 0.00 N ATOM 0 H ARG A 11 21.626 -10.233 -12.867 1.00 0.00 H new ATOM 0 HA ARG A 11 19.452 -8.975 -11.457 1.00 0.00 H new ATOM 0 HB2 ARG A 11 19.912 -11.772 -12.561 1.00 0.00 H new ATOM 0 HB3 ARG A 11 18.412 -11.259 -11.815 1.00 0.00 H new ATOM 0 HG2 ARG A 11 19.503 -9.607 -14.074 1.00 0.00 H new ATOM 0 HG3 ARG A 11 18.782 -11.158 -14.456 1.00 0.00 H new ATOM 0 HD2 ARG A 11 16.940 -9.730 -14.585 1.00 0.00 H new ATOM 0 HD3 ARG A 11 16.792 -10.362 -12.957 1.00 0.00 H new ATOM 0 HE ARG A 11 18.329 -8.059 -12.648 1.00 0.00 H new ATOM 0 HH11 ARG A 11 15.184 -8.861 -14.034 1.00 0.00 H new ATOM 0 HH12 ARG A 11 14.491 -7.277 -13.673 1.00 0.00 H new ATOM 0 HH21 ARG A 11 17.433 -6.027 -12.186 1.00 0.00 H new ATOM 0 HH22 ARG A 11 15.759 -5.678 -12.630 1.00 0.00 H new ATOM 142 N LEU A 12 20.412 -9.546 -9.164 1.00 0.00 N ATOM 143 CA LEU A 12 20.637 -9.946 -7.779 1.00 0.00 C ATOM 144 C LEU A 12 19.717 -11.098 -7.389 1.00 0.00 C ATOM 145 O LEU A 12 18.601 -11.214 -7.895 1.00 0.00 O ATOM 146 CB LEU A 12 20.410 -8.758 -6.842 1.00 0.00 C ATOM 147 CG LEU A 12 19.082 -8.019 -7.005 1.00 0.00 C ATOM 148 CD1 LEU A 12 17.962 -8.773 -6.305 1.00 0.00 C ATOM 149 CD2 LEU A 12 19.191 -6.600 -6.464 1.00 0.00 C ATOM 0 H LEU A 12 20.375 -8.537 -9.311 1.00 0.00 H new ATOM 0 HA LEU A 12 21.670 -10.283 -7.687 1.00 0.00 H new ATOM 0 HB2 LEU A 12 20.481 -9.113 -5.814 1.00 0.00 H new ATOM 0 HB3 LEU A 12 21.221 -8.044 -6.990 1.00 0.00 H new ATOM 0 HG LEU A 12 18.847 -7.965 -8.068 1.00 0.00 H new ATOM 0 HD11 LEU A 12 17.024 -8.232 -6.432 1.00 0.00 H new ATOM 0 HD12 LEU A 12 17.868 -9.769 -6.738 1.00 0.00 H new ATOM 0 HD13 LEU A 12 18.190 -8.859 -5.243 1.00 0.00 H new ATOM 0 HD21 LEU A 12 18.236 -6.089 -6.588 1.00 0.00 H new ATOM 0 HD22 LEU A 12 19.450 -6.633 -5.406 1.00 0.00 H new ATOM 0 HD23 LEU A 12 19.965 -6.061 -7.010 1.00 0.00 H new ATOM 161 N ALA A 13 20.193 -11.948 -6.485 1.00 0.00 N ATOM 162 CA ALA A 13 19.412 -13.089 -6.023 1.00 0.00 C ATOM 163 C ALA A 13 18.322 -12.651 -5.051 1.00 0.00 C ATOM 164 O ALA A 13 18.128 -11.458 -4.815 1.00 0.00 O ATOM 165 CB ALA A 13 20.320 -14.121 -5.372 1.00 0.00 C ATOM 0 H ALA A 13 21.116 -11.868 -6.058 1.00 0.00 H new ATOM 0 HA ALA A 13 18.929 -13.542 -6.889 1.00 0.00 H new ATOM 0 HB1 ALA A 13 19.723 -14.967 -5.032 1.00 0.00 H new ATOM 0 HB2 ALA A 13 21.058 -14.465 -6.097 1.00 0.00 H new ATOM 0 HB3 ALA A 13 20.830 -13.671 -4.520 1.00 0.00 H new ATOM 171 N LYS A 14 17.613 -13.623 -4.488 1.00 0.00 N ATOM 172 CA LYS A 14 16.542 -13.340 -3.540 1.00 0.00 C ATOM 173 C LYS A 14 17.104 -13.093 -2.143 1.00 0.00 C ATOM 174 O LYS A 14 16.370 -13.126 -1.156 1.00 0.00 O ATOM 175 CB LYS A 14 15.545 -14.500 -3.503 1.00 0.00 C ATOM 176 CG LYS A 14 16.182 -15.839 -3.177 1.00 0.00 C ATOM 177 CD LYS A 14 16.078 -16.161 -1.695 1.00 0.00 C ATOM 178 CE LYS A 14 14.650 -16.503 -1.298 1.00 0.00 C ATOM 179 NZ LYS A 14 14.315 -17.922 -1.602 1.00 0.00 N ATOM 0 H LYS A 14 17.761 -14.615 -4.672 1.00 0.00 H new ATOM 0 HA LYS A 14 16.027 -12.438 -3.870 1.00 0.00 H new ATOM 0 HB2 LYS A 14 14.776 -14.283 -2.762 1.00 0.00 H new ATOM 0 HB3 LYS A 14 15.046 -14.570 -4.470 1.00 0.00 H new ATOM 0 HG2 LYS A 14 15.696 -16.624 -3.756 1.00 0.00 H new ATOM 0 HG3 LYS A 14 17.231 -15.826 -3.475 1.00 0.00 H new ATOM 0 HD2 LYS A 14 16.734 -16.999 -1.457 1.00 0.00 H new ATOM 0 HD3 LYS A 14 16.425 -15.308 -1.111 1.00 0.00 H new ATOM 0 HE2 LYS A 14 14.515 -16.318 -0.232 1.00 0.00 H new ATOM 0 HE3 LYS A 14 13.959 -15.846 -1.826 1.00 0.00 H new ATOM 0 HZ1 LYS A 14 13.334 -18.116 -1.317 1.00 0.00 H new ATOM 0 HZ2 LYS A 14 14.419 -18.092 -2.623 1.00 0.00 H new ATOM 0 HZ3 LYS A 14 14.958 -18.550 -1.079 1.00 0.00 H new ATOM 193 N GLU A 15 18.408 -12.845 -2.070 1.00 0.00 N ATOM 194 CA GLU A 15 19.066 -12.593 -0.793 1.00 0.00 C ATOM 195 C GLU A 15 18.954 -11.121 -0.406 1.00 0.00 C ATOM 196 O GLU A 15 18.551 -10.789 0.710 1.00 0.00 O ATOM 197 CB GLU A 15 20.538 -13.003 -0.863 1.00 0.00 C ATOM 198 CG GLU A 15 20.746 -14.467 -1.215 1.00 0.00 C ATOM 199 CD GLU A 15 22.110 -14.980 -0.796 1.00 0.00 C ATOM 200 OE1 GLU A 15 23.063 -14.850 -1.592 1.00 0.00 O ATOM 201 OE2 GLU A 15 22.224 -15.511 0.328 1.00 0.00 O ATOM 0 H GLU A 15 19.029 -12.813 -2.879 1.00 0.00 H new ATOM 0 HA GLU A 15 18.566 -13.191 -0.031 1.00 0.00 H new ATOM 0 HB2 GLU A 15 21.044 -12.384 -1.604 1.00 0.00 H new ATOM 0 HB3 GLU A 15 21.010 -12.799 0.098 1.00 0.00 H new ATOM 0 HG2 GLU A 15 19.973 -15.066 -0.733 1.00 0.00 H new ATOM 0 HG3 GLU A 15 20.627 -14.599 -2.290 1.00 0.00 H new ATOM 208 N LYS A 16 19.315 -10.242 -1.334 1.00 0.00 N ATOM 209 CA LYS A 16 19.257 -8.805 -1.093 1.00 0.00 C ATOM 210 C LYS A 16 17.816 -8.346 -0.889 1.00 0.00 C ATOM 211 O LYS A 16 17.565 -7.185 -0.570 1.00 0.00 O ATOM 212 CB LYS A 16 19.885 -8.044 -2.262 1.00 0.00 C ATOM 213 CG LYS A 16 20.561 -6.748 -1.851 1.00 0.00 C ATOM 214 CD LYS A 16 21.898 -7.006 -1.176 1.00 0.00 C ATOM 215 CE LYS A 16 22.387 -5.778 -0.423 1.00 0.00 C ATOM 216 NZ LYS A 16 23.830 -5.884 -0.069 1.00 0.00 N ATOM 0 H LYS A 16 19.651 -10.500 -2.262 1.00 0.00 H new ATOM 0 HA LYS A 16 19.821 -8.591 -0.185 1.00 0.00 H new ATOM 0 HB2 LYS A 16 20.617 -8.686 -2.751 1.00 0.00 H new ATOM 0 HB3 LYS A 16 19.112 -7.823 -2.998 1.00 0.00 H new ATOM 0 HG2 LYS A 16 20.711 -6.120 -2.729 1.00 0.00 H new ATOM 0 HG3 LYS A 16 19.910 -6.196 -1.172 1.00 0.00 H new ATOM 0 HD2 LYS A 16 21.803 -7.844 -0.485 1.00 0.00 H new ATOM 0 HD3 LYS A 16 22.636 -7.293 -1.925 1.00 0.00 H new ATOM 0 HE2 LYS A 16 22.227 -4.890 -1.034 1.00 0.00 H new ATOM 0 HE3 LYS A 16 21.798 -5.650 0.485 1.00 0.00 H new ATOM 0 HZ1 LYS A 16 24.126 -5.028 0.443 1.00 0.00 H new ATOM 0 HZ2 LYS A 16 23.979 -6.718 0.535 1.00 0.00 H new ATOM 0 HZ3 LYS A 16 24.394 -5.980 -0.937 1.00 0.00 H new ATOM 230 N GLU A 17 16.875 -9.267 -1.074 1.00 0.00 N ATOM 231 CA GLU A 17 15.460 -8.955 -0.909 1.00 0.00 C ATOM 232 C GLU A 17 15.246 -7.995 0.258 1.00 0.00 C ATOM 233 O GLU A 17 14.381 -7.121 0.206 1.00 0.00 O ATOM 234 CB GLU A 17 14.655 -10.237 -0.684 1.00 0.00 C ATOM 235 CG GLU A 17 14.383 -11.017 -1.959 1.00 0.00 C ATOM 236 CD GLU A 17 13.976 -10.123 -3.114 1.00 0.00 C ATOM 237 OE1 GLU A 17 12.822 -9.644 -3.115 1.00 0.00 O ATOM 238 OE2 GLU A 17 14.810 -9.902 -4.017 1.00 0.00 O ATOM 0 H GLU A 17 17.067 -10.234 -1.338 1.00 0.00 H new ATOM 0 HA GLU A 17 15.112 -8.472 -1.822 1.00 0.00 H new ATOM 0 HB2 GLU A 17 15.194 -10.876 0.015 1.00 0.00 H new ATOM 0 HB3 GLU A 17 13.705 -9.982 -0.215 1.00 0.00 H new ATOM 0 HG2 GLU A 17 15.276 -11.577 -2.235 1.00 0.00 H new ATOM 0 HG3 GLU A 17 13.594 -11.746 -1.773 1.00 0.00 H new ATOM 245 N SER A 18 16.041 -8.166 1.309 1.00 0.00 N ATOM 246 CA SER A 18 15.937 -7.318 2.491 1.00 0.00 C ATOM 247 C SER A 18 15.825 -5.848 2.098 1.00 0.00 C ATOM 248 O SER A 18 15.000 -5.112 2.638 1.00 0.00 O ATOM 249 CB SER A 18 17.150 -7.524 3.401 1.00 0.00 C ATOM 250 OG SER A 18 17.215 -6.520 4.399 1.00 0.00 O ATOM 0 H SER A 18 16.764 -8.883 1.366 1.00 0.00 H new ATOM 0 HA SER A 18 15.034 -7.601 3.032 1.00 0.00 H new ATOM 0 HB2 SER A 18 17.093 -8.506 3.871 1.00 0.00 H new ATOM 0 HB3 SER A 18 18.063 -7.508 2.805 1.00 0.00 H new ATOM 0 HG SER A 18 17.998 -6.675 4.968 1.00 0.00 H new ATOM 256 N GLN A 19 16.662 -5.430 1.154 1.00 0.00 N ATOM 257 CA GLN A 19 16.658 -4.048 0.689 1.00 0.00 C ATOM 258 C GLN A 19 15.242 -3.483 0.673 1.00 0.00 C ATOM 259 O GLN A 19 15.021 -2.324 1.023 1.00 0.00 O ATOM 260 CB GLN A 19 17.272 -3.957 -0.709 1.00 0.00 C ATOM 261 CG GLN A 19 16.346 -4.440 -1.813 1.00 0.00 C ATOM 262 CD GLN A 19 17.097 -4.897 -3.048 1.00 0.00 C ATOM 263 OE1 GLN A 19 18.315 -4.738 -3.142 1.00 0.00 O ATOM 264 NE2 GLN A 19 16.374 -5.469 -4.004 1.00 0.00 N ATOM 0 H GLN A 19 17.351 -6.028 0.697 1.00 0.00 H new ATOM 0 HA GLN A 19 17.257 -3.456 1.381 1.00 0.00 H new ATOM 0 HB2 GLN A 19 17.551 -2.922 -0.907 1.00 0.00 H new ATOM 0 HB3 GLN A 19 18.190 -4.545 -0.733 1.00 0.00 H new ATOM 0 HG2 GLN A 19 15.738 -5.263 -1.437 1.00 0.00 H new ATOM 0 HG3 GLN A 19 15.662 -3.636 -2.085 1.00 0.00 H new ATOM 0 HE21 GLN A 19 15.367 -5.581 -3.884 1.00 0.00 H new ATOM 0 HE22 GLN A 19 16.826 -5.797 -4.858 1.00 0.00 H new ATOM 273 N ALA A 20 14.285 -4.309 0.263 1.00 0.00 N ATOM 274 CA ALA A 20 12.889 -3.893 0.203 1.00 0.00 C ATOM 275 C ALA A 20 12.411 -3.377 1.557 1.00 0.00 C ATOM 276 O ALA A 20 11.941 -2.245 1.669 1.00 0.00 O ATOM 277 CB ALA A 20 12.014 -5.046 -0.263 1.00 0.00 C ATOM 0 H ALA A 20 14.451 -5.271 -0.033 1.00 0.00 H new ATOM 0 HA ALA A 20 12.809 -3.078 -0.516 1.00 0.00 H new ATOM 0 HB1 ALA A 20 10.974 -4.721 -0.303 1.00 0.00 H new ATOM 0 HB2 ALA A 20 12.332 -5.367 -1.255 1.00 0.00 H new ATOM 0 HB3 ALA A 20 12.107 -5.878 0.434 1.00 0.00 H new ATOM 283 N ASP A 21 12.535 -4.215 2.580 1.00 0.00 N ATOM 284 CA ASP A 21 12.116 -3.843 3.927 1.00 0.00 C ATOM 285 C ASP A 21 13.059 -2.803 4.522 1.00 0.00 C ATOM 286 O ASP A 21 12.621 -1.847 5.163 1.00 0.00 O ATOM 287 CB ASP A 21 12.065 -5.078 4.827 1.00 0.00 C ATOM 288 CG ASP A 21 11.403 -6.262 4.150 1.00 0.00 C ATOM 289 OD1 ASP A 21 10.167 -6.231 3.974 1.00 0.00 O ATOM 290 OD2 ASP A 21 12.122 -7.220 3.795 1.00 0.00 O ATOM 0 H ASP A 21 12.922 -5.156 2.503 1.00 0.00 H new ATOM 0 HA ASP A 21 11.119 -3.408 3.863 1.00 0.00 H new ATOM 0 HB2 ASP A 21 13.078 -5.351 5.121 1.00 0.00 H new ATOM 0 HB3 ASP A 21 11.522 -4.836 5.741 1.00 0.00 H new ATOM 295 N TYR A 22 14.356 -2.996 4.307 1.00 0.00 N ATOM 296 CA TYR A 22 15.362 -2.076 4.825 1.00 0.00 C ATOM 297 C TYR A 22 15.043 -0.639 4.425 1.00 0.00 C ATOM 298 O TYR A 22 15.321 0.301 5.172 1.00 0.00 O ATOM 299 CB TYR A 22 16.750 -2.464 4.313 1.00 0.00 C ATOM 300 CG TYR A 22 17.881 -1.881 5.129 1.00 0.00 C ATOM 301 CD1 TYR A 22 18.221 -2.417 6.365 1.00 0.00 C ATOM 302 CD2 TYR A 22 18.611 -0.794 4.663 1.00 0.00 C ATOM 303 CE1 TYR A 22 19.253 -1.886 7.114 1.00 0.00 C ATOM 304 CE2 TYR A 22 19.646 -0.258 5.405 1.00 0.00 C ATOM 305 CZ TYR A 22 19.963 -0.807 6.630 1.00 0.00 C ATOM 306 OH TYR A 22 20.993 -0.277 7.372 1.00 0.00 O ATOM 0 H TYR A 22 14.735 -3.781 3.778 1.00 0.00 H new ATOM 0 HA TYR A 22 15.352 -2.142 5.913 1.00 0.00 H new ATOM 0 HB2 TYR A 22 16.837 -3.551 4.311 1.00 0.00 H new ATOM 0 HB3 TYR A 22 16.852 -2.135 3.279 1.00 0.00 H new ATOM 0 HD1 TYR A 22 17.669 -3.263 6.747 1.00 0.00 H new ATOM 0 HD2 TYR A 22 18.365 -0.361 3.705 1.00 0.00 H new ATOM 0 HE1 TYR A 22 19.503 -2.314 8.074 1.00 0.00 H new ATOM 0 HE2 TYR A 22 20.204 0.586 5.028 1.00 0.00 H new ATOM 0 HH TYR A 22 21.390 0.477 6.888 1.00 0.00 H new ATOM 316 N ILE A 23 14.459 -0.476 3.243 1.00 0.00 N ATOM 317 CA ILE A 23 14.100 0.846 2.744 1.00 0.00 C ATOM 318 C ILE A 23 12.652 1.186 3.079 1.00 0.00 C ATOM 319 O ILE A 23 12.375 2.198 3.723 1.00 0.00 O ATOM 320 CB ILE A 23 14.300 0.945 1.220 1.00 0.00 C ATOM 321 CG1 ILE A 23 15.762 0.679 0.857 1.00 0.00 C ATOM 322 CG2 ILE A 23 13.863 2.313 0.717 1.00 0.00 C ATOM 323 CD1 ILE A 23 15.946 0.112 -0.533 1.00 0.00 C ATOM 0 H ILE A 23 14.224 -1.243 2.613 1.00 0.00 H new ATOM 0 HA ILE A 23 14.761 1.560 3.236 1.00 0.00 H new ATOM 0 HB ILE A 23 13.683 0.188 0.737 1.00 0.00 H new ATOM 0 HG12 ILE A 23 16.323 1.610 0.938 1.00 0.00 H new ATOM 0 HG13 ILE A 23 16.188 -0.014 1.583 1.00 0.00 H new ATOM 0 HG21 ILE A 23 14.010 2.368 -0.362 1.00 0.00 H new ATOM 0 HG22 ILE A 23 12.809 2.466 0.948 1.00 0.00 H new ATOM 0 HG23 ILE A 23 14.457 3.086 1.204 1.00 0.00 H new ATOM 0 HD11 ILE A 23 17.007 -0.051 -0.722 1.00 0.00 H new ATOM 0 HD12 ILE A 23 15.413 -0.835 -0.613 1.00 0.00 H new ATOM 0 HD13 ILE A 23 15.551 0.814 -1.267 1.00 0.00 H new ATOM 335 N SER A 24 11.733 0.333 2.640 1.00 0.00 N ATOM 336 CA SER A 24 10.312 0.544 2.891 1.00 0.00 C ATOM 337 C SER A 24 10.059 0.834 4.368 1.00 0.00 C ATOM 338 O SER A 24 9.272 1.716 4.714 1.00 0.00 O ATOM 339 CB SER A 24 9.508 -0.683 2.456 1.00 0.00 C ATOM 340 OG SER A 24 9.336 -0.707 1.050 1.00 0.00 O ATOM 0 H SER A 24 11.947 -0.511 2.109 1.00 0.00 H new ATOM 0 HA SER A 24 9.989 1.407 2.308 1.00 0.00 H new ATOM 0 HB2 SER A 24 10.019 -1.590 2.779 1.00 0.00 H new ATOM 0 HB3 SER A 24 8.534 -0.675 2.945 1.00 0.00 H new ATOM 0 HG SER A 24 8.751 0.031 0.779 1.00 0.00 H new ATOM 346 N THR A 25 10.732 0.085 5.236 1.00 0.00 N ATOM 347 CA THR A 25 10.581 0.260 6.675 1.00 0.00 C ATOM 348 C THR A 25 10.331 1.721 7.028 1.00 0.00 C ATOM 349 O THR A 25 9.604 2.026 7.974 1.00 0.00 O ATOM 350 CB THR A 25 11.826 -0.235 7.435 1.00 0.00 C ATOM 351 OG1 THR A 25 11.734 0.130 8.816 1.00 0.00 O ATOM 352 CG2 THR A 25 13.095 0.350 6.833 1.00 0.00 C ATOM 0 H THR A 25 11.387 -0.649 4.967 1.00 0.00 H new ATOM 0 HA THR A 25 9.720 -0.336 6.977 1.00 0.00 H new ATOM 0 HB THR A 25 11.870 -1.321 7.349 1.00 0.00 H new ATOM 0 HG1 THR A 25 12.528 -0.190 9.292 1.00 0.00 H new ATOM 0 HG21 THR A 25 13.961 -0.014 7.386 1.00 0.00 H new ATOM 0 HG22 THR A 25 13.177 0.045 5.790 1.00 0.00 H new ATOM 0 HG23 THR A 25 13.058 1.438 6.892 1.00 0.00 H new ATOM 360 N TYR A 26 10.938 2.622 6.262 1.00 0.00 N ATOM 361 CA TYR A 26 10.782 4.052 6.496 1.00 0.00 C ATOM 362 C TYR A 26 10.295 4.761 5.236 1.00 0.00 C ATOM 363 O TYR A 26 11.057 4.967 4.291 1.00 0.00 O ATOM 364 CB TYR A 26 12.107 4.662 6.957 1.00 0.00 C ATOM 365 CG TYR A 26 13.215 4.547 5.935 1.00 0.00 C ATOM 366 CD1 TYR A 26 14.047 3.434 5.905 1.00 0.00 C ATOM 367 CD2 TYR A 26 13.429 5.550 4.998 1.00 0.00 C ATOM 368 CE1 TYR A 26 15.061 3.325 4.974 1.00 0.00 C ATOM 369 CE2 TYR A 26 14.440 5.449 4.061 1.00 0.00 C ATOM 370 CZ TYR A 26 15.253 4.335 4.053 1.00 0.00 C ATOM 371 OH TYR A 26 16.261 4.229 3.123 1.00 0.00 O ATOM 0 H TYR A 26 11.542 2.387 5.474 1.00 0.00 H new ATOM 0 HA TYR A 26 10.035 4.186 7.278 1.00 0.00 H new ATOM 0 HB2 TYR A 26 11.950 5.714 7.193 1.00 0.00 H new ATOM 0 HB3 TYR A 26 12.422 4.172 7.878 1.00 0.00 H new ATOM 0 HD1 TYR A 26 13.898 2.641 6.622 1.00 0.00 H new ATOM 0 HD2 TYR A 26 12.794 6.424 5.002 1.00 0.00 H new ATOM 0 HE1 TYR A 26 15.700 2.454 4.967 1.00 0.00 H new ATOM 0 HE2 TYR A 26 14.592 6.238 3.339 1.00 0.00 H new ATOM 0 HH TYR A 26 16.261 5.023 2.548 1.00 0.00 H new ATOM 381 N VAL A 27 9.019 5.132 5.229 1.00 0.00 N ATOM 382 CA VAL A 27 8.428 5.819 4.087 1.00 0.00 C ATOM 383 C VAL A 27 7.238 6.671 4.513 1.00 0.00 C ATOM 384 O VAL A 27 6.635 6.433 5.559 1.00 0.00 O ATOM 385 CB VAL A 27 7.970 4.820 3.007 1.00 0.00 C ATOM 386 CG1 VAL A 27 6.856 3.932 3.539 1.00 0.00 C ATOM 387 CG2 VAL A 27 7.521 5.559 1.755 1.00 0.00 C ATOM 0 H VAL A 27 8.374 4.968 6.002 1.00 0.00 H new ATOM 0 HA VAL A 27 9.202 6.464 3.671 1.00 0.00 H new ATOM 0 HB VAL A 27 8.815 4.184 2.743 1.00 0.00 H new ATOM 0 HG11 VAL A 27 6.546 3.233 2.762 1.00 0.00 H new ATOM 0 HG12 VAL A 27 7.216 3.376 4.405 1.00 0.00 H new ATOM 0 HG13 VAL A 27 6.007 4.550 3.832 1.00 0.00 H new ATOM 0 HG21 VAL A 27 7.201 4.839 1.002 1.00 0.00 H new ATOM 0 HG22 VAL A 27 6.690 6.220 2.001 1.00 0.00 H new ATOM 0 HG23 VAL A 27 8.350 6.148 1.363 1.00 0.00 H new ATOM 397 N GLU A 28 6.905 7.664 3.695 1.00 0.00 N ATOM 398 CA GLU A 28 5.787 8.553 3.988 1.00 0.00 C ATOM 399 C GLU A 28 4.924 8.769 2.748 1.00 0.00 C ATOM 400 O GLU A 28 5.393 9.287 1.735 1.00 0.00 O ATOM 401 CB GLU A 28 6.298 9.898 4.508 1.00 0.00 C ATOM 402 CG GLU A 28 5.235 10.720 5.217 1.00 0.00 C ATOM 403 CD GLU A 28 4.688 10.028 6.450 1.00 0.00 C ATOM 404 OE1 GLU A 28 5.496 9.648 7.323 1.00 0.00 O ATOM 405 OE2 GLU A 28 3.453 9.867 6.542 1.00 0.00 O ATOM 0 H GLU A 28 7.393 7.873 2.824 1.00 0.00 H new ATOM 0 HA GLU A 28 5.175 8.083 4.758 1.00 0.00 H new ATOM 0 HB2 GLU A 28 7.127 9.722 5.194 1.00 0.00 H new ATOM 0 HB3 GLU A 28 6.694 10.475 3.672 1.00 0.00 H new ATOM 0 HG2 GLU A 28 5.657 11.683 5.503 1.00 0.00 H new ATOM 0 HG3 GLU A 28 4.417 10.923 4.526 1.00 0.00 H new ATOM 412 N TRP A 29 3.661 8.367 2.837 1.00 0.00 N ATOM 413 CA TRP A 29 2.732 8.515 1.722 1.00 0.00 C ATOM 414 C TRP A 29 1.608 9.482 2.076 1.00 0.00 C ATOM 415 O TRP A 29 0.855 9.252 3.022 1.00 0.00 O ATOM 416 CB TRP A 29 2.149 7.156 1.333 1.00 0.00 C ATOM 417 CG TRP A 29 3.105 6.298 0.561 1.00 0.00 C ATOM 418 CD1 TRP A 29 4.194 5.637 1.053 1.00 0.00 C ATOM 419 CD2 TRP A 29 3.058 6.011 -0.841 1.00 0.00 C ATOM 420 NE1 TRP A 29 4.827 4.956 0.041 1.00 0.00 N ATOM 421 CE2 TRP A 29 4.150 5.169 -1.131 1.00 0.00 C ATOM 422 CE3 TRP A 29 2.200 6.382 -1.880 1.00 0.00 C ATOM 423 CZ2 TRP A 29 4.403 4.695 -2.415 1.00 0.00 C ATOM 424 CZ3 TRP A 29 2.453 5.911 -3.154 1.00 0.00 C ATOM 425 CH2 TRP A 29 3.547 5.074 -3.412 1.00 0.00 C ATOM 0 H TRP A 29 3.257 7.936 3.669 1.00 0.00 H new ATOM 0 HA TRP A 29 3.283 8.922 0.874 1.00 0.00 H new ATOM 0 HB2 TRP A 29 1.846 6.627 2.236 1.00 0.00 H new ATOM 0 HB3 TRP A 29 1.250 7.312 0.737 1.00 0.00 H new ATOM 0 HD1 TRP A 29 4.511 5.648 2.085 1.00 0.00 H new ATOM 0 HE1 TRP A 29 5.665 4.384 0.145 1.00 0.00 H new ATOM 0 HE3 TRP A 29 1.354 7.026 -1.690 1.00 0.00 H new ATOM 0 HZ2 TRP A 29 5.246 4.050 -2.617 1.00 0.00 H new ATOM 0 HZ3 TRP A 29 1.797 6.192 -3.964 1.00 0.00 H new ATOM 0 HH2 TRP A 29 3.718 4.721 -4.418 1.00 0.00 H new ATOM 436 N GLN A 30 1.501 10.564 1.311 1.00 0.00 N ATOM 437 CA GLN A 30 0.468 11.566 1.546 1.00 0.00 C ATOM 438 C GLN A 30 -0.379 11.777 0.295 1.00 0.00 C ATOM 439 O GLN A 30 0.078 11.542 -0.823 1.00 0.00 O ATOM 440 CB GLN A 30 1.100 12.890 1.978 1.00 0.00 C ATOM 441 CG GLN A 30 2.080 12.749 3.131 1.00 0.00 C ATOM 442 CD GLN A 30 2.571 14.087 3.647 1.00 0.00 C ATOM 443 OE1 GLN A 30 1.844 14.806 4.333 1.00 0.00 O ATOM 444 NE2 GLN A 30 3.812 14.429 3.319 1.00 0.00 N ATOM 0 H GLN A 30 2.117 10.769 0.524 1.00 0.00 H new ATOM 0 HA GLN A 30 -0.179 11.204 2.345 1.00 0.00 H new ATOM 0 HB2 GLN A 30 1.616 13.332 1.126 1.00 0.00 H new ATOM 0 HB3 GLN A 30 0.310 13.583 2.267 1.00 0.00 H new ATOM 0 HG2 GLN A 30 1.602 12.204 3.945 1.00 0.00 H new ATOM 0 HG3 GLN A 30 2.933 12.154 2.807 1.00 0.00 H new ATOM 0 HE21 GLN A 30 4.380 13.803 2.748 1.00 0.00 H new ATOM 0 HE22 GLN A 30 4.197 15.318 3.638 1.00 0.00 H new ATOM 453 N TYR A 31 -1.615 12.222 0.493 1.00 0.00 N ATOM 454 CA TYR A 31 -2.528 12.462 -0.619 1.00 0.00 C ATOM 455 C TYR A 31 -2.959 13.925 -0.663 1.00 0.00 C ATOM 456 O TYR A 31 -3.204 14.543 0.373 1.00 0.00 O ATOM 457 CB TYR A 31 -3.758 11.561 -0.501 1.00 0.00 C ATOM 458 CG TYR A 31 -4.646 11.899 0.675 1.00 0.00 C ATOM 459 CD1 TYR A 31 -4.276 11.557 1.970 1.00 0.00 C ATOM 460 CD2 TYR A 31 -5.855 12.558 0.491 1.00 0.00 C ATOM 461 CE1 TYR A 31 -5.085 11.863 3.048 1.00 0.00 C ATOM 462 CE2 TYR A 31 -6.669 12.869 1.563 1.00 0.00 C ATOM 463 CZ TYR A 31 -6.280 12.520 2.839 1.00 0.00 C ATOM 464 OH TYR A 31 -7.089 12.827 3.909 1.00 0.00 O ATOM 0 H TYR A 31 -2.008 12.424 1.412 1.00 0.00 H new ATOM 0 HA TYR A 31 -2.002 12.228 -1.544 1.00 0.00 H new ATOM 0 HB2 TYR A 31 -4.341 11.635 -1.419 1.00 0.00 H new ATOM 0 HB3 TYR A 31 -3.432 10.525 -0.413 1.00 0.00 H new ATOM 0 HD1 TYR A 31 -3.341 11.044 2.137 1.00 0.00 H new ATOM 0 HD2 TYR A 31 -6.164 12.832 -0.507 1.00 0.00 H new ATOM 0 HE1 TYR A 31 -4.783 11.589 4.048 1.00 0.00 H new ATOM 0 HE2 TYR A 31 -7.605 13.383 1.402 1.00 0.00 H new ATOM 0 HH TYR A 31 -7.892 13.290 3.590 1.00 0.00 H new ATOM 474 N ILE A 32 -3.048 14.472 -1.871 1.00 0.00 N ATOM 475 CA ILE A 32 -3.451 15.861 -2.052 1.00 0.00 C ATOM 476 C ILE A 32 -4.945 15.968 -2.336 1.00 0.00 C ATOM 477 O ILE A 32 -5.408 15.617 -3.421 1.00 0.00 O ATOM 478 CB ILE A 32 -2.672 16.528 -3.202 1.00 0.00 C ATOM 479 CG1 ILE A 32 -1.250 16.870 -2.753 1.00 0.00 C ATOM 480 CG2 ILE A 32 -3.398 17.777 -3.679 1.00 0.00 C ATOM 481 CD1 ILE A 32 -0.248 15.772 -3.032 1.00 0.00 C ATOM 0 H ILE A 32 -2.847 13.975 -2.738 1.00 0.00 H new ATOM 0 HA ILE A 32 -3.223 16.379 -1.121 1.00 0.00 H new ATOM 0 HB ILE A 32 -2.611 15.827 -4.034 1.00 0.00 H new ATOM 0 HG12 ILE A 32 -0.928 17.781 -3.257 1.00 0.00 H new ATOM 0 HG13 ILE A 32 -1.256 17.082 -1.684 1.00 0.00 H new ATOM 0 HG21 ILE A 32 -2.835 18.237 -4.491 1.00 0.00 H new ATOM 0 HG22 ILE A 32 -4.393 17.507 -4.034 1.00 0.00 H new ATOM 0 HG23 ILE A 32 -3.487 18.484 -2.854 1.00 0.00 H new ATOM 0 HD11 ILE A 32 0.738 16.083 -2.688 1.00 0.00 H new ATOM 0 HD12 ILE A 32 -0.546 14.865 -2.506 1.00 0.00 H new ATOM 0 HD13 ILE A 32 -0.213 15.575 -4.104 1.00 0.00 H new ATOM 493 N ASP A 33 -5.695 16.456 -1.354 1.00 0.00 N ATOM 494 CA ASP A 33 -7.137 16.613 -1.498 1.00 0.00 C ATOM 495 C ASP A 33 -7.468 17.791 -2.409 1.00 0.00 C ATOM 496 O ASP A 33 -6.600 18.602 -2.733 1.00 0.00 O ATOM 497 CB ASP A 33 -7.790 16.811 -0.130 1.00 0.00 C ATOM 498 CG ASP A 33 -9.268 16.475 -0.139 1.00 0.00 C ATOM 499 OD1 ASP A 33 -10.066 17.323 -0.589 1.00 0.00 O ATOM 500 OD2 ASP A 33 -9.627 15.364 0.305 1.00 0.00 O ATOM 0 H ASP A 33 -5.327 16.750 -0.449 1.00 0.00 H new ATOM 0 HA ASP A 33 -7.532 15.704 -1.952 1.00 0.00 H new ATOM 0 HB2 ASP A 33 -7.283 16.186 0.605 1.00 0.00 H new ATOM 0 HB3 ASP A 33 -7.658 17.846 0.186 1.00 0.00 H new ATOM 505 N LYS A 34 -8.728 17.880 -2.820 1.00 0.00 N ATOM 506 CA LYS A 34 -9.175 18.958 -3.693 1.00 0.00 C ATOM 507 C LYS A 34 -8.335 20.214 -3.480 1.00 0.00 C ATOM 508 O LYS A 34 -7.511 20.570 -4.321 1.00 0.00 O ATOM 509 CB LYS A 34 -10.651 19.270 -3.438 1.00 0.00 C ATOM 510 CG LYS A 34 -11.570 18.081 -3.654 1.00 0.00 C ATOM 511 CD LYS A 34 -12.991 18.522 -3.963 1.00 0.00 C ATOM 512 CE LYS A 34 -13.795 18.745 -2.692 1.00 0.00 C ATOM 513 NZ LYS A 34 -13.379 19.987 -1.983 1.00 0.00 N ATOM 0 H LYS A 34 -9.459 17.217 -2.562 1.00 0.00 H new ATOM 0 HA LYS A 34 -9.052 18.630 -4.725 1.00 0.00 H new ATOM 0 HB2 LYS A 34 -10.767 19.627 -2.415 1.00 0.00 H new ATOM 0 HB3 LYS A 34 -10.961 20.082 -4.096 1.00 0.00 H new ATOM 0 HG2 LYS A 34 -11.191 17.472 -4.474 1.00 0.00 H new ATOM 0 HG3 LYS A 34 -11.569 17.453 -2.763 1.00 0.00 H new ATOM 0 HD2 LYS A 34 -12.968 19.442 -4.547 1.00 0.00 H new ATOM 0 HD3 LYS A 34 -13.482 17.767 -4.577 1.00 0.00 H new ATOM 0 HE2 LYS A 34 -14.855 18.805 -2.939 1.00 0.00 H new ATOM 0 HE3 LYS A 34 -13.670 17.889 -2.029 1.00 0.00 H new ATOM 0 HZ1 LYS A 34 -14.192 20.383 -1.470 1.00 0.00 H new ATOM 0 HZ2 LYS A 34 -12.619 19.764 -1.309 1.00 0.00 H new ATOM 0 HZ3 LYS A 34 -13.034 20.683 -2.675 1.00 0.00 H new ATOM 527 N ASN A 35 -8.550 20.879 -2.350 1.00 0.00 N ATOM 528 CA ASN A 35 -7.811 22.095 -2.027 1.00 0.00 C ATOM 529 C ASN A 35 -7.072 21.945 -0.701 1.00 0.00 C ATOM 530 O ASN A 35 -6.674 22.935 -0.086 1.00 0.00 O ATOM 531 CB ASN A 35 -8.762 23.292 -1.962 1.00 0.00 C ATOM 532 CG ASN A 35 -8.023 24.613 -1.868 1.00 0.00 C ATOM 533 OD1 ASN A 35 -7.700 25.080 -0.776 1.00 0.00 O ATOM 534 ND2 ASN A 35 -7.751 25.221 -3.017 1.00 0.00 N ATOM 0 H ASN A 35 -9.229 20.597 -1.643 1.00 0.00 H new ATOM 0 HA ASN A 35 -7.077 22.265 -2.815 1.00 0.00 H new ATOM 0 HB2 ASN A 35 -9.397 23.296 -2.848 1.00 0.00 H new ATOM 0 HB3 ASN A 35 -9.419 23.184 -1.099 1.00 0.00 H new ATOM 0 HD21 ASN A 35 -7.255 26.112 -3.017 1.00 0.00 H new ATOM 0 HD22 ASN A 35 -8.038 24.797 -3.899 1.00 0.00 H new ATOM 541 N ILE A 36 -6.891 20.703 -0.267 1.00 0.00 N ATOM 542 CA ILE A 36 -6.197 20.424 0.984 1.00 0.00 C ATOM 543 C ILE A 36 -5.146 19.335 0.800 1.00 0.00 C ATOM 544 O ILE A 36 -5.288 18.456 -0.051 1.00 0.00 O ATOM 545 CB ILE A 36 -7.180 19.991 2.088 1.00 0.00 C ATOM 546 CG1 ILE A 36 -8.390 20.927 2.120 1.00 0.00 C ATOM 547 CG2 ILE A 36 -6.483 19.971 3.440 1.00 0.00 C ATOM 548 CD1 ILE A 36 -9.482 20.537 1.148 1.00 0.00 C ATOM 0 H ILE A 36 -7.215 19.873 -0.763 1.00 0.00 H new ATOM 0 HA ILE A 36 -5.708 21.350 1.286 1.00 0.00 H new ATOM 0 HB ILE A 36 -7.530 18.983 1.867 1.00 0.00 H new ATOM 0 HG12 ILE A 36 -8.801 20.941 3.129 1.00 0.00 H new ATOM 0 HG13 ILE A 36 -8.060 21.941 1.896 1.00 0.00 H new ATOM 0 HG21 ILE A 36 -7.191 19.663 4.210 1.00 0.00 H new ATOM 0 HG22 ILE A 36 -5.651 19.268 3.410 1.00 0.00 H new ATOM 0 HG23 ILE A 36 -6.107 20.968 3.670 1.00 0.00 H new ATOM 0 HD11 ILE A 36 -10.308 21.244 1.225 1.00 0.00 H new ATOM 0 HD12 ILE A 36 -9.087 20.550 0.132 1.00 0.00 H new ATOM 0 HD13 ILE A 36 -9.839 19.535 1.385 1.00 0.00 H new ATOM 560 N THR A 37 -4.089 19.398 1.604 1.00 0.00 N ATOM 561 CA THR A 37 -3.013 18.418 1.530 1.00 0.00 C ATOM 562 C THR A 37 -2.838 17.693 2.859 1.00 0.00 C ATOM 563 O THR A 37 -2.319 18.258 3.821 1.00 0.00 O ATOM 564 CB THR A 37 -1.677 19.078 1.139 1.00 0.00 C ATOM 565 OG1 THR A 37 -1.858 19.901 -0.019 1.00 0.00 O ATOM 566 CG2 THR A 37 -0.615 18.026 0.859 1.00 0.00 C ATOM 0 H THR A 37 -3.955 20.118 2.314 1.00 0.00 H new ATOM 0 HA THR A 37 -3.293 17.699 0.760 1.00 0.00 H new ATOM 0 HB THR A 37 -1.343 19.694 1.974 1.00 0.00 H new ATOM 0 HG1 THR A 37 -1.005 20.318 -0.260 1.00 0.00 H new ATOM 0 HG21 THR A 37 0.319 18.516 0.585 1.00 0.00 H new ATOM 0 HG22 THR A 37 -0.459 17.420 1.752 1.00 0.00 H new ATOM 0 HG23 THR A 37 -0.943 17.387 0.039 1.00 0.00 H new ATOM 574 N GLN A 38 -3.275 16.438 2.905 1.00 0.00 N ATOM 575 CA GLN A 38 -3.167 15.636 4.118 1.00 0.00 C ATOM 576 C GLN A 38 -2.346 14.376 3.865 1.00 0.00 C ATOM 577 O GLN A 38 -2.010 14.061 2.723 1.00 0.00 O ATOM 578 CB GLN A 38 -4.557 15.259 4.632 1.00 0.00 C ATOM 579 CG GLN A 38 -5.386 16.453 5.076 1.00 0.00 C ATOM 580 CD GLN A 38 -4.800 17.153 6.286 1.00 0.00 C ATOM 581 OE1 GLN A 38 -3.659 17.616 6.258 1.00 0.00 O ATOM 582 NE2 GLN A 38 -5.579 17.234 7.358 1.00 0.00 N ATOM 0 H GLN A 38 -3.707 15.955 2.117 1.00 0.00 H new ATOM 0 HA GLN A 38 -2.659 16.234 4.875 1.00 0.00 H new ATOM 0 HB2 GLN A 38 -5.094 14.727 3.847 1.00 0.00 H new ATOM 0 HB3 GLN A 38 -4.451 14.569 5.469 1.00 0.00 H new ATOM 0 HG2 GLN A 38 -5.464 17.163 4.253 1.00 0.00 H new ATOM 0 HG3 GLN A 38 -6.398 16.122 5.308 1.00 0.00 H new ATOM 0 HE21 GLN A 38 -6.518 16.836 7.337 1.00 0.00 H new ATOM 0 HE22 GLN A 38 -5.238 17.694 8.202 1.00 0.00 H new ATOM 591 N CYS A 39 -2.027 13.659 4.937 1.00 0.00 N ATOM 592 CA CYS A 39 -1.244 12.433 4.832 1.00 0.00 C ATOM 593 C CYS A 39 -2.082 11.218 5.215 1.00 0.00 C ATOM 594 O CYS A 39 -3.107 11.344 5.886 1.00 0.00 O ATOM 595 CB CYS A 39 -0.005 12.515 5.725 1.00 0.00 C ATOM 596 SG CYS A 39 -0.375 12.690 7.486 1.00 0.00 S ATOM 0 H CYS A 39 -2.299 13.906 5.889 1.00 0.00 H new ATOM 0 HA CYS A 39 -0.928 12.322 3.795 1.00 0.00 H new ATOM 0 HB2 CYS A 39 0.596 11.617 5.578 1.00 0.00 H new ATOM 0 HB3 CYS A 39 0.604 13.361 5.407 1.00 0.00 H new ATOM 0 HG CYS A 39 0.736 12.749 8.159 1.00 0.00 H new ATOM 602 N PHE A 40 -1.641 10.041 4.784 1.00 0.00 N ATOM 603 CA PHE A 40 -2.352 8.802 5.080 1.00 0.00 C ATOM 604 C PHE A 40 -2.068 8.340 6.507 1.00 0.00 C ATOM 605 O PHE A 40 -1.239 8.922 7.206 1.00 0.00 O ATOM 606 CB PHE A 40 -1.950 7.709 4.088 1.00 0.00 C ATOM 607 CG PHE A 40 -2.628 7.832 2.754 1.00 0.00 C ATOM 608 CD1 PHE A 40 -3.929 7.387 2.579 1.00 0.00 C ATOM 609 CD2 PHE A 40 -1.965 8.393 1.674 1.00 0.00 C ATOM 610 CE1 PHE A 40 -4.554 7.498 1.352 1.00 0.00 C ATOM 611 CE2 PHE A 40 -2.586 8.507 0.444 1.00 0.00 C ATOM 612 CZ PHE A 40 -3.883 8.060 0.283 1.00 0.00 C ATOM 0 H PHE A 40 -0.794 9.919 4.228 1.00 0.00 H new ATOM 0 HA PHE A 40 -3.421 8.994 4.985 1.00 0.00 H new ATOM 0 HB2 PHE A 40 -0.870 7.741 3.942 1.00 0.00 H new ATOM 0 HB3 PHE A 40 -2.185 6.735 4.518 1.00 0.00 H new ATOM 0 HD1 PHE A 40 -4.460 6.949 3.411 1.00 0.00 H new ATOM 0 HD2 PHE A 40 -0.951 8.745 1.795 1.00 0.00 H new ATOM 0 HE1 PHE A 40 -5.567 7.145 1.228 1.00 0.00 H new ATOM 0 HE2 PHE A 40 -2.058 8.945 -0.390 1.00 0.00 H new ATOM 0 HZ PHE A 40 -4.371 8.150 -0.676 1.00 0.00 H new ATOM 622 N ASP A 41 -2.763 7.290 6.931 1.00 0.00 N ATOM 623 CA ASP A 41 -2.587 6.748 8.273 1.00 0.00 C ATOM 624 C ASP A 41 -1.244 6.035 8.399 1.00 0.00 C ATOM 625 O ASP A 41 -0.601 5.718 7.399 1.00 0.00 O ATOM 626 CB ASP A 41 -3.725 5.783 8.610 1.00 0.00 C ATOM 627 CG ASP A 41 -5.089 6.436 8.501 1.00 0.00 C ATOM 628 OD1 ASP A 41 -5.398 7.309 9.339 1.00 0.00 O ATOM 629 OD2 ASP A 41 -5.846 6.074 7.577 1.00 0.00 O ATOM 0 H ASP A 41 -3.454 6.797 6.365 1.00 0.00 H new ATOM 0 HA ASP A 41 -2.605 7.578 8.979 1.00 0.00 H new ATOM 0 HB2 ASP A 41 -3.681 4.925 7.939 1.00 0.00 H new ATOM 0 HB3 ASP A 41 -3.587 5.403 9.622 1.00 0.00 H new ATOM 634 N LYS A 42 -0.826 5.787 9.636 1.00 0.00 N ATOM 635 CA LYS A 42 0.440 5.112 9.894 1.00 0.00 C ATOM 636 C LYS A 42 0.436 3.704 9.307 1.00 0.00 C ATOM 637 O LYS A 42 1.488 3.150 8.989 1.00 0.00 O ATOM 638 CB LYS A 42 0.709 5.047 11.399 1.00 0.00 C ATOM 639 CG LYS A 42 -0.374 4.323 12.180 1.00 0.00 C ATOM 640 CD LYS A 42 0.052 4.062 13.615 1.00 0.00 C ATOM 641 CE LYS A 42 -0.250 5.253 14.512 1.00 0.00 C ATOM 642 NZ LYS A 42 0.670 5.314 15.682 1.00 0.00 N ATOM 0 H LYS A 42 -1.346 6.044 10.475 1.00 0.00 H new ATOM 0 HA LYS A 42 1.233 5.685 9.413 1.00 0.00 H new ATOM 0 HB2 LYS A 42 1.663 4.547 11.568 1.00 0.00 H new ATOM 0 HB3 LYS A 42 0.808 6.061 11.786 1.00 0.00 H new ATOM 0 HG2 LYS A 42 -1.288 4.918 12.173 1.00 0.00 H new ATOM 0 HG3 LYS A 42 -0.606 3.377 11.691 1.00 0.00 H new ATOM 0 HD2 LYS A 42 -0.464 3.180 13.994 1.00 0.00 H new ATOM 0 HD3 LYS A 42 1.120 3.844 13.645 1.00 0.00 H new ATOM 0 HE2 LYS A 42 -0.165 6.173 13.934 1.00 0.00 H new ATOM 0 HE3 LYS A 42 -1.280 5.191 14.863 1.00 0.00 H new ATOM 0 HZ1 LYS A 42 0.432 6.139 16.268 1.00 0.00 H new ATOM 0 HZ2 LYS A 42 0.570 4.447 16.248 1.00 0.00 H new ATOM 0 HZ3 LYS A 42 1.651 5.399 15.348 1.00 0.00 H new ATOM 656 N MET A 43 -0.755 3.131 9.164 1.00 0.00 N ATOM 657 CA MET A 43 -0.896 1.789 8.611 1.00 0.00 C ATOM 658 C MET A 43 -1.044 1.838 7.094 1.00 0.00 C ATOM 659 O MET A 43 -0.436 1.045 6.374 1.00 0.00 O ATOM 660 CB MET A 43 -2.103 1.083 9.231 1.00 0.00 C ATOM 661 CG MET A 43 -2.065 1.033 10.750 1.00 0.00 C ATOM 662 SD MET A 43 -0.619 0.159 11.380 1.00 0.00 S ATOM 663 CE MET A 43 -0.932 -1.496 10.770 1.00 0.00 C ATOM 0 H MET A 43 -1.636 3.575 9.423 1.00 0.00 H new ATOM 0 HA MET A 43 0.007 1.228 8.851 1.00 0.00 H new ATOM 0 HB2 MET A 43 -3.013 1.593 8.915 1.00 0.00 H new ATOM 0 HB3 MET A 43 -2.157 0.066 8.844 1.00 0.00 H new ATOM 0 HG2 MET A 43 -2.070 2.050 11.143 1.00 0.00 H new ATOM 0 HG3 MET A 43 -2.968 0.545 11.116 1.00 0.00 H new ATOM 0 HE1 MET A 43 -0.310 -2.208 11.313 1.00 0.00 H new ATOM 0 HE2 MET A 43 -1.983 -1.746 10.918 1.00 0.00 H new ATOM 0 HE3 MET A 43 -0.695 -1.543 9.707 1.00 0.00 H new ATOM 673 N THR A 44 -1.857 2.774 6.613 1.00 0.00 N ATOM 674 CA THR A 44 -2.086 2.925 5.182 1.00 0.00 C ATOM 675 C THR A 44 -0.821 3.388 4.469 1.00 0.00 C ATOM 676 O THR A 44 -0.506 2.918 3.376 1.00 0.00 O ATOM 677 CB THR A 44 -3.219 3.929 4.898 1.00 0.00 C ATOM 678 OG1 THR A 44 -4.434 3.484 5.511 1.00 0.00 O ATOM 679 CG2 THR A 44 -3.432 4.095 3.401 1.00 0.00 C ATOM 0 H THR A 44 -2.368 3.439 7.194 1.00 0.00 H new ATOM 0 HA THR A 44 -2.375 1.945 4.803 1.00 0.00 H new ATOM 0 HB THR A 44 -2.933 4.893 5.318 1.00 0.00 H new ATOM 0 HG1 THR A 44 -5.149 4.129 5.327 1.00 0.00 H new ATOM 0 HG21 THR A 44 -4.237 4.809 3.225 1.00 0.00 H new ATOM 0 HG22 THR A 44 -2.514 4.462 2.941 1.00 0.00 H new ATOM 0 HG23 THR A 44 -3.698 3.133 2.962 1.00 0.00 H new ATOM 687 N ASN A 45 -0.099 4.313 5.094 1.00 0.00 N ATOM 688 CA ASN A 45 1.133 4.839 4.517 1.00 0.00 C ATOM 689 C ASN A 45 1.915 3.738 3.808 1.00 0.00 C ATOM 690 O ASN A 45 2.361 3.912 2.674 1.00 0.00 O ATOM 691 CB ASN A 45 1.999 5.475 5.607 1.00 0.00 C ATOM 692 CG ASN A 45 2.956 4.482 6.238 1.00 0.00 C ATOM 693 OD1 ASN A 45 2.536 3.480 6.816 1.00 0.00 O ATOM 694 ND2 ASN A 45 4.250 4.757 6.129 1.00 0.00 N ATOM 0 H ASN A 45 -0.346 4.713 5.999 1.00 0.00 H new ATOM 0 HA ASN A 45 0.866 5.600 3.784 1.00 0.00 H new ATOM 0 HB2 ASN A 45 2.567 6.302 5.180 1.00 0.00 H new ATOM 0 HB3 ASN A 45 1.355 5.896 6.379 1.00 0.00 H new ATOM 0 HD21 ASN A 45 4.941 4.126 6.533 1.00 0.00 H new ATOM 0 HD22 ASN A 45 4.553 5.600 5.641 1.00 0.00 H new ATOM 701 N MET A 46 2.077 2.605 4.484 1.00 0.00 N ATOM 702 CA MET A 46 2.804 1.475 3.917 1.00 0.00 C ATOM 703 C MET A 46 1.963 0.759 2.866 1.00 0.00 C ATOM 704 O MET A 46 2.481 0.302 1.847 1.00 0.00 O ATOM 705 CB MET A 46 3.206 0.495 5.020 1.00 0.00 C ATOM 706 CG MET A 46 2.162 -0.577 5.290 1.00 0.00 C ATOM 707 SD MET A 46 2.567 -1.597 6.720 1.00 0.00 S ATOM 708 CE MET A 46 2.028 -0.535 8.057 1.00 0.00 C ATOM 0 H MET A 46 1.715 2.445 5.424 1.00 0.00 H new ATOM 0 HA MET A 46 3.704 1.859 3.436 1.00 0.00 H new ATOM 0 HB2 MET A 46 4.145 0.015 4.744 1.00 0.00 H new ATOM 0 HB3 MET A 46 3.390 1.051 5.939 1.00 0.00 H new ATOM 0 HG2 MET A 46 1.193 -0.103 5.449 1.00 0.00 H new ATOM 0 HG3 MET A 46 2.065 -1.214 4.411 1.00 0.00 H new ATOM 0 HE1 MET A 46 2.605 -0.758 8.954 1.00 0.00 H new ATOM 0 HE2 MET A 46 2.180 0.508 7.778 1.00 0.00 H new ATOM 0 HE3 MET A 46 0.970 -0.707 8.254 1.00 0.00 H new ATOM 718 N LYS A 47 0.662 0.665 3.119 1.00 0.00 N ATOM 719 CA LYS A 47 -0.253 0.006 2.195 1.00 0.00 C ATOM 720 C LYS A 47 -0.073 0.541 0.777 1.00 0.00 C ATOM 721 O LYS A 47 -0.483 -0.096 -0.194 1.00 0.00 O ATOM 722 CB LYS A 47 -1.701 0.207 2.647 1.00 0.00 C ATOM 723 CG LYS A 47 -2.072 -0.604 3.877 1.00 0.00 C ATOM 724 CD LYS A 47 -3.572 -0.829 3.965 1.00 0.00 C ATOM 725 CE LYS A 47 -3.935 -1.707 5.152 1.00 0.00 C ATOM 726 NZ LYS A 47 -5.188 -2.475 4.912 1.00 0.00 N ATOM 0 H LYS A 47 0.217 1.038 3.958 1.00 0.00 H new ATOM 0 HA LYS A 47 -0.024 -1.060 2.195 1.00 0.00 H new ATOM 0 HB2 LYS A 47 -1.864 1.264 2.856 1.00 0.00 H new ATOM 0 HB3 LYS A 47 -2.369 -0.063 1.829 1.00 0.00 H new ATOM 0 HG2 LYS A 47 -1.560 -1.566 3.848 1.00 0.00 H new ATOM 0 HG3 LYS A 47 -1.728 -0.087 4.772 1.00 0.00 H new ATOM 0 HD2 LYS A 47 -4.080 0.131 4.052 1.00 0.00 H new ATOM 0 HD3 LYS A 47 -3.926 -1.295 3.045 1.00 0.00 H new ATOM 0 HE2 LYS A 47 -3.118 -2.399 5.355 1.00 0.00 H new ATOM 0 HE3 LYS A 47 -4.054 -1.086 6.040 1.00 0.00 H new ATOM 0 HZ1 LYS A 47 -5.401 -3.061 5.744 1.00 0.00 H new ATOM 0 HZ2 LYS A 47 -5.973 -1.814 4.744 1.00 0.00 H new ATOM 0 HZ3 LYS A 47 -5.066 -3.087 4.080 1.00 0.00 H new ATOM 740 N LEU A 48 0.543 1.712 0.666 1.00 0.00 N ATOM 741 CA LEU A 48 0.778 2.332 -0.633 1.00 0.00 C ATOM 742 C LEU A 48 2.181 2.015 -1.142 1.00 0.00 C ATOM 743 O LEU A 48 2.379 1.772 -2.332 1.00 0.00 O ATOM 744 CB LEU A 48 0.588 3.847 -0.540 1.00 0.00 C ATOM 745 CG LEU A 48 -0.812 4.325 -0.155 1.00 0.00 C ATOM 746 CD1 LEU A 48 -0.800 5.812 0.164 1.00 0.00 C ATOM 747 CD2 LEU A 48 -1.803 4.026 -1.271 1.00 0.00 C ATOM 0 H LEU A 48 0.889 2.251 1.460 1.00 0.00 H new ATOM 0 HA LEU A 48 0.054 1.924 -1.338 1.00 0.00 H new ATOM 0 HB2 LEU A 48 1.297 4.238 0.190 1.00 0.00 H new ATOM 0 HB3 LEU A 48 0.848 4.286 -1.504 1.00 0.00 H new ATOM 0 HG LEU A 48 -1.126 3.785 0.738 1.00 0.00 H new ATOM 0 HD11 LEU A 48 -1.805 6.134 0.436 1.00 0.00 H new ATOM 0 HD12 LEU A 48 -0.121 6.000 0.996 1.00 0.00 H new ATOM 0 HD13 LEU A 48 -0.465 6.369 -0.711 1.00 0.00 H new ATOM 0 HD21 LEU A 48 -2.794 4.373 -0.980 1.00 0.00 H new ATOM 0 HD22 LEU A 48 -1.492 4.539 -2.181 1.00 0.00 H new ATOM 0 HD23 LEU A 48 -1.833 2.952 -1.452 1.00 0.00 H new ATOM 759 N GLU A 49 3.149 2.017 -0.231 1.00 0.00 N ATOM 760 CA GLU A 49 4.533 1.727 -0.589 1.00 0.00 C ATOM 761 C GLU A 49 4.688 0.277 -1.036 1.00 0.00 C ATOM 762 O GLU A 49 5.413 -0.018 -1.986 1.00 0.00 O ATOM 763 CB GLU A 49 5.459 2.008 0.597 1.00 0.00 C ATOM 764 CG GLU A 49 5.574 0.845 1.568 1.00 0.00 C ATOM 765 CD GLU A 49 6.667 1.050 2.598 1.00 0.00 C ATOM 766 OE1 GLU A 49 7.731 1.592 2.232 1.00 0.00 O ATOM 767 OE2 GLU A 49 6.460 0.669 3.769 1.00 0.00 O ATOM 0 H GLU A 49 3.001 2.216 0.758 1.00 0.00 H new ATOM 0 HA GLU A 49 4.810 2.376 -1.420 1.00 0.00 H new ATOM 0 HB2 GLU A 49 6.452 2.256 0.221 1.00 0.00 H new ATOM 0 HB3 GLU A 49 5.093 2.883 1.133 1.00 0.00 H new ATOM 0 HG2 GLU A 49 4.621 0.707 2.078 1.00 0.00 H new ATOM 0 HG3 GLU A 49 5.773 -0.070 1.011 1.00 0.00 H new ATOM 774 N VAL A 50 4.000 -0.626 -0.345 1.00 0.00 N ATOM 775 CA VAL A 50 4.059 -2.046 -0.670 1.00 0.00 C ATOM 776 C VAL A 50 3.657 -2.295 -2.120 1.00 0.00 C ATOM 777 O VAL A 50 4.193 -3.185 -2.779 1.00 0.00 O ATOM 778 CB VAL A 50 3.145 -2.873 0.254 1.00 0.00 C ATOM 779 CG1 VAL A 50 3.731 -2.949 1.655 1.00 0.00 C ATOM 780 CG2 VAL A 50 1.744 -2.281 0.285 1.00 0.00 C ATOM 0 H VAL A 50 3.395 -0.399 0.444 1.00 0.00 H new ATOM 0 HA VAL A 50 5.092 -2.361 -0.523 1.00 0.00 H new ATOM 0 HB VAL A 50 3.078 -3.886 -0.142 1.00 0.00 H new ATOM 0 HG11 VAL A 50 3.072 -3.537 2.294 1.00 0.00 H new ATOM 0 HG12 VAL A 50 4.712 -3.421 1.614 1.00 0.00 H new ATOM 0 HG13 VAL A 50 3.829 -1.943 2.063 1.00 0.00 H new ATOM 0 HG21 VAL A 50 1.111 -2.877 0.942 1.00 0.00 H new ATOM 0 HG22 VAL A 50 1.790 -1.257 0.656 1.00 0.00 H new ATOM 0 HG23 VAL A 50 1.326 -2.284 -0.721 1.00 0.00 H new ATOM 790 N ALA A 51 2.709 -1.503 -2.609 1.00 0.00 N ATOM 791 CA ALA A 51 2.236 -1.635 -3.981 1.00 0.00 C ATOM 792 C ALA A 51 3.233 -1.034 -4.966 1.00 0.00 C ATOM 793 O ALA A 51 3.347 -1.490 -6.104 1.00 0.00 O ATOM 794 CB ALA A 51 0.874 -0.974 -4.136 1.00 0.00 C ATOM 0 H ALA A 51 2.253 -0.763 -2.075 1.00 0.00 H new ATOM 0 HA ALA A 51 2.140 -2.697 -4.205 1.00 0.00 H new ATOM 0 HB1 ALA A 51 0.533 -1.080 -5.166 1.00 0.00 H new ATOM 0 HB2 ALA A 51 0.159 -1.452 -3.466 1.00 0.00 H new ATOM 0 HB3 ALA A 51 0.953 0.084 -3.887 1.00 0.00 H new ATOM 800 N TRP A 52 3.951 -0.009 -4.522 1.00 0.00 N ATOM 801 CA TRP A 52 4.939 0.655 -5.365 1.00 0.00 C ATOM 802 C TRP A 52 6.188 -0.206 -5.522 1.00 0.00 C ATOM 803 O TRP A 52 6.867 -0.152 -6.547 1.00 0.00 O ATOM 804 CB TRP A 52 5.313 2.015 -4.774 1.00 0.00 C ATOM 805 CG TRP A 52 6.163 2.846 -5.687 1.00 0.00 C ATOM 806 CD1 TRP A 52 5.781 3.963 -6.372 1.00 0.00 C ATOM 807 CD2 TRP A 52 7.539 2.622 -6.015 1.00 0.00 C ATOM 808 NE1 TRP A 52 6.836 4.449 -7.106 1.00 0.00 N ATOM 809 CE2 TRP A 52 7.926 3.645 -6.904 1.00 0.00 C ATOM 810 CE3 TRP A 52 8.482 1.660 -5.644 1.00 0.00 C ATOM 811 CZ2 TRP A 52 9.214 3.729 -7.425 1.00 0.00 C ATOM 812 CZ3 TRP A 52 9.760 1.745 -6.162 1.00 0.00 C ATOM 813 CH2 TRP A 52 10.117 2.773 -7.045 1.00 0.00 C ATOM 0 H TRP A 52 3.868 0.381 -3.583 1.00 0.00 H new ATOM 0 HA TRP A 52 4.497 0.804 -6.350 1.00 0.00 H new ATOM 0 HB2 TRP A 52 4.401 2.564 -4.539 1.00 0.00 H new ATOM 0 HB3 TRP A 52 5.844 1.861 -3.835 1.00 0.00 H new ATOM 0 HD1 TRP A 52 4.794 4.401 -6.342 1.00 0.00 H new ATOM 0 HE1 TRP A 52 6.811 5.275 -7.704 1.00 0.00 H new ATOM 0 HE3 TRP A 52 8.217 0.864 -4.964 1.00 0.00 H new ATOM 0 HZ2 TRP A 52 9.491 4.521 -8.105 1.00 0.00 H new ATOM 0 HZ3 TRP A 52 10.497 1.007 -5.882 1.00 0.00 H new ATOM 0 HH2 TRP A 52 11.124 2.812 -7.433 1.00 0.00 H new ATOM 824 N LYS A 53 6.485 -1.001 -4.500 1.00 0.00 N ATOM 825 CA LYS A 53 7.652 -1.875 -4.524 1.00 0.00 C ATOM 826 C LYS A 53 7.309 -3.222 -5.152 1.00 0.00 C ATOM 827 O LYS A 53 8.164 -3.873 -5.751 1.00 0.00 O ATOM 828 CB LYS A 53 8.189 -2.083 -3.106 1.00 0.00 C ATOM 829 CG LYS A 53 8.748 -0.819 -2.476 1.00 0.00 C ATOM 830 CD LYS A 53 10.186 -0.573 -2.901 1.00 0.00 C ATOM 831 CE LYS A 53 11.142 -1.541 -2.221 1.00 0.00 C ATOM 832 NZ LYS A 53 11.566 -1.052 -0.881 1.00 0.00 N ATOM 0 H LYS A 53 5.933 -1.058 -3.644 1.00 0.00 H new ATOM 0 HA LYS A 53 8.421 -1.396 -5.130 1.00 0.00 H new ATOM 0 HB2 LYS A 53 7.388 -2.469 -2.476 1.00 0.00 H new ATOM 0 HB3 LYS A 53 8.970 -2.843 -3.130 1.00 0.00 H new ATOM 0 HG2 LYS A 53 8.132 0.034 -2.762 1.00 0.00 H new ATOM 0 HG3 LYS A 53 8.697 -0.899 -1.390 1.00 0.00 H new ATOM 0 HD2 LYS A 53 10.270 -0.677 -3.983 1.00 0.00 H new ATOM 0 HD3 LYS A 53 10.469 0.451 -2.657 1.00 0.00 H new ATOM 0 HE2 LYS A 53 10.661 -2.514 -2.117 1.00 0.00 H new ATOM 0 HE3 LYS A 53 12.021 -1.685 -2.850 1.00 0.00 H new ATOM 0 HZ1 LYS A 53 12.600 -0.937 -0.864 1.00 0.00 H new ATOM 0 HZ2 LYS A 53 11.113 -0.136 -0.686 1.00 0.00 H new ATOM 0 HZ3 LYS A 53 11.282 -1.740 -0.155 1.00 0.00 H new ATOM 846 N ALA A 54 6.054 -3.633 -5.011 1.00 0.00 N ATOM 847 CA ALA A 54 5.598 -4.901 -5.568 1.00 0.00 C ATOM 848 C ALA A 54 5.276 -4.765 -7.052 1.00 0.00 C ATOM 849 O ALA A 54 4.592 -5.610 -7.630 1.00 0.00 O ATOM 850 CB ALA A 54 4.381 -5.405 -4.806 1.00 0.00 C ATOM 0 H ALA A 54 5.334 -3.107 -4.516 1.00 0.00 H new ATOM 0 HA ALA A 54 6.405 -5.626 -5.463 1.00 0.00 H new ATOM 0 HB1 ALA A 54 4.051 -6.352 -5.233 1.00 0.00 H new ATOM 0 HB2 ALA A 54 4.643 -5.550 -3.758 1.00 0.00 H new ATOM 0 HB3 ALA A 54 3.576 -4.674 -4.881 1.00 0.00 H new ATOM 856 N LYS A 55 5.772 -3.695 -7.664 1.00 0.00 N ATOM 857 CA LYS A 55 5.538 -3.448 -9.082 1.00 0.00 C ATOM 858 C LYS A 55 4.051 -3.537 -9.412 1.00 0.00 C ATOM 859 O LYS A 55 3.667 -4.057 -10.460 1.00 0.00 O ATOM 860 CB LYS A 55 6.321 -4.451 -9.932 1.00 0.00 C ATOM 861 CG LYS A 55 7.825 -4.252 -9.876 1.00 0.00 C ATOM 862 CD LYS A 55 8.547 -5.183 -10.836 1.00 0.00 C ATOM 863 CE LYS A 55 8.692 -4.559 -12.215 1.00 0.00 C ATOM 864 NZ LYS A 55 9.139 -5.553 -13.230 1.00 0.00 N ATOM 0 H LYS A 55 6.339 -2.985 -7.200 1.00 0.00 H new ATOM 0 HA LYS A 55 5.883 -2.440 -9.311 1.00 0.00 H new ATOM 0 HB2 LYS A 55 6.084 -5.461 -9.598 1.00 0.00 H new ATOM 0 HB3 LYS A 55 5.991 -4.372 -10.968 1.00 0.00 H new ATOM 0 HG2 LYS A 55 8.065 -3.217 -10.121 1.00 0.00 H new ATOM 0 HG3 LYS A 55 8.179 -4.429 -8.860 1.00 0.00 H new ATOM 0 HD2 LYS A 55 9.533 -5.423 -10.439 1.00 0.00 H new ATOM 0 HD3 LYS A 55 7.998 -6.121 -10.916 1.00 0.00 H new ATOM 0 HE2 LYS A 55 7.738 -4.131 -12.522 1.00 0.00 H new ATOM 0 HE3 LYS A 55 9.409 -3.739 -12.169 1.00 0.00 H new ATOM 0 HZ1 LYS A 55 9.226 -5.088 -14.156 1.00 0.00 H new ATOM 0 HZ2 LYS A 55 10.062 -5.943 -12.951 1.00 0.00 H new ATOM 0 HZ3 LYS A 55 8.442 -6.322 -13.293 1.00 0.00 H new ATOM 878 N LYS A 56 3.218 -3.026 -8.512 1.00 0.00 N ATOM 879 CA LYS A 56 1.774 -3.044 -8.708 1.00 0.00 C ATOM 880 C LYS A 56 1.326 -1.868 -9.569 1.00 0.00 C ATOM 881 O LYS A 56 2.071 -0.907 -9.761 1.00 0.00 O ATOM 882 CB LYS A 56 1.055 -3.005 -7.357 1.00 0.00 C ATOM 883 CG LYS A 56 1.334 -4.215 -6.483 1.00 0.00 C ATOM 884 CD LYS A 56 0.408 -5.371 -6.819 1.00 0.00 C ATOM 885 CE LYS A 56 0.268 -6.332 -5.648 1.00 0.00 C ATOM 886 NZ LYS A 56 -0.727 -5.850 -4.651 1.00 0.00 N ATOM 0 H LYS A 56 3.519 -2.594 -7.639 1.00 0.00 H new ATOM 0 HA LYS A 56 1.514 -3.968 -9.225 1.00 0.00 H new ATOM 0 HB2 LYS A 56 1.355 -2.104 -6.822 1.00 0.00 H new ATOM 0 HB3 LYS A 56 -0.019 -2.931 -7.529 1.00 0.00 H new ATOM 0 HG2 LYS A 56 2.370 -4.528 -6.613 1.00 0.00 H new ATOM 0 HG3 LYS A 56 1.213 -3.943 -5.434 1.00 0.00 H new ATOM 0 HD2 LYS A 56 -0.574 -4.984 -7.093 1.00 0.00 H new ATOM 0 HD3 LYS A 56 0.793 -5.907 -7.687 1.00 0.00 H new ATOM 0 HE2 LYS A 56 -0.033 -7.312 -6.017 1.00 0.00 H new ATOM 0 HE3 LYS A 56 1.236 -6.457 -5.163 1.00 0.00 H new ATOM 0 HZ1 LYS A 56 -0.793 -6.532 -3.869 1.00 0.00 H new ATOM 0 HZ2 LYS A 56 -0.427 -4.926 -4.280 1.00 0.00 H new ATOM 0 HZ3 LYS A 56 -1.657 -5.755 -5.107 1.00 0.00 H new ATOM 900 N LYS A 57 0.104 -1.949 -10.084 1.00 0.00 N ATOM 901 CA LYS A 57 -0.445 -0.890 -10.922 1.00 0.00 C ATOM 902 C LYS A 57 -1.275 0.086 -10.093 1.00 0.00 C ATOM 903 O LYS A 57 -1.297 1.286 -10.368 1.00 0.00 O ATOM 904 CB LYS A 57 -1.306 -1.488 -12.037 1.00 0.00 C ATOM 905 CG LYS A 57 -1.320 -0.657 -13.308 1.00 0.00 C ATOM 906 CD LYS A 57 -2.438 0.372 -13.289 1.00 0.00 C ATOM 907 CE LYS A 57 -3.796 -0.277 -13.510 1.00 0.00 C ATOM 908 NZ LYS A 57 -4.795 0.694 -14.038 1.00 0.00 N ATOM 0 H LYS A 57 -0.525 -2.738 -9.936 1.00 0.00 H new ATOM 0 HA LYS A 57 0.388 -0.345 -11.366 1.00 0.00 H new ATOM 0 HB2 LYS A 57 -0.940 -2.488 -12.271 1.00 0.00 H new ATOM 0 HB3 LYS A 57 -2.328 -1.600 -11.675 1.00 0.00 H new ATOM 0 HG2 LYS A 57 -0.361 -0.152 -13.424 1.00 0.00 H new ATOM 0 HG3 LYS A 57 -1.442 -1.312 -14.171 1.00 0.00 H new ATOM 0 HD2 LYS A 57 -2.435 0.896 -12.333 1.00 0.00 H new ATOM 0 HD3 LYS A 57 -2.260 1.119 -14.063 1.00 0.00 H new ATOM 0 HE2 LYS A 57 -3.692 -1.108 -14.208 1.00 0.00 H new ATOM 0 HE3 LYS A 57 -4.157 -0.694 -12.570 1.00 0.00 H new ATOM 0 HZ1 LYS A 57 -5.707 0.214 -14.175 1.00 0.00 H new ATOM 0 HZ2 LYS A 57 -4.913 1.474 -13.360 1.00 0.00 H new ATOM 0 HZ3 LYS A 57 -4.463 1.073 -14.948 1.00 0.00 H new ATOM 922 N ASP A 58 -1.953 -0.437 -9.078 1.00 0.00 N ATOM 923 CA ASP A 58 -2.782 0.389 -8.207 1.00 0.00 C ATOM 924 C ASP A 58 -3.150 -0.365 -6.932 1.00 0.00 C ATOM 925 O ASP A 58 -3.229 -1.594 -6.925 1.00 0.00 O ATOM 926 CB ASP A 58 -4.051 0.826 -8.939 1.00 0.00 C ATOM 927 CG ASP A 58 -4.672 -0.299 -9.745 1.00 0.00 C ATOM 928 OD1 ASP A 58 -4.444 -1.475 -9.393 1.00 0.00 O ATOM 929 OD2 ASP A 58 -5.385 -0.003 -10.726 1.00 0.00 O ATOM 0 H ASP A 58 -1.945 -1.428 -8.838 1.00 0.00 H new ATOM 0 HA ASP A 58 -2.207 1.274 -7.932 1.00 0.00 H new ATOM 0 HB2 ASP A 58 -4.777 1.193 -8.214 1.00 0.00 H new ATOM 0 HB3 ASP A 58 -3.816 1.658 -9.603 1.00 0.00 H new ATOM 934 N THR A 59 -3.372 0.380 -5.854 1.00 0.00 N ATOM 935 CA THR A 59 -3.729 -0.217 -4.573 1.00 0.00 C ATOM 936 C THR A 59 -4.959 0.458 -3.975 1.00 0.00 C ATOM 937 O THR A 59 -5.034 1.685 -3.907 1.00 0.00 O ATOM 938 CB THR A 59 -2.567 -0.125 -3.567 1.00 0.00 C ATOM 939 OG1 THR A 59 -2.950 -0.714 -2.319 1.00 0.00 O ATOM 940 CG2 THR A 59 -2.157 1.324 -3.345 1.00 0.00 C ATOM 0 H THR A 59 -3.311 1.398 -5.842 1.00 0.00 H new ATOM 0 HA THR A 59 -3.951 -1.267 -4.765 1.00 0.00 H new ATOM 0 HB THR A 59 -1.716 -0.668 -3.978 1.00 0.00 H new ATOM 0 HG1 THR A 59 -2.262 -0.531 -1.646 1.00 0.00 H new ATOM 0 HG21 THR A 59 -1.335 1.364 -2.631 1.00 0.00 H new ATOM 0 HG22 THR A 59 -1.837 1.761 -4.291 1.00 0.00 H new ATOM 0 HG23 THR A 59 -3.005 1.886 -2.954 1.00 0.00 H new ATOM 948 N VAL A 60 -5.920 -0.351 -3.542 1.00 0.00 N ATOM 949 CA VAL A 60 -7.146 0.168 -2.948 1.00 0.00 C ATOM 950 C VAL A 60 -6.957 0.458 -1.464 1.00 0.00 C ATOM 951 O VAL A 60 -6.349 -0.329 -0.738 1.00 0.00 O ATOM 952 CB VAL A 60 -8.316 -0.819 -3.122 1.00 0.00 C ATOM 953 CG1 VAL A 60 -9.390 -0.564 -2.076 1.00 0.00 C ATOM 954 CG2 VAL A 60 -8.893 -0.719 -4.526 1.00 0.00 C ATOM 0 H VAL A 60 -5.873 -1.369 -3.591 1.00 0.00 H new ATOM 0 HA VAL A 60 -7.382 1.095 -3.470 1.00 0.00 H new ATOM 0 HB VAL A 60 -7.938 -1.832 -2.980 1.00 0.00 H new ATOM 0 HG11 VAL A 60 -10.208 -1.271 -2.215 1.00 0.00 H new ATOM 0 HG12 VAL A 60 -8.966 -0.691 -1.080 1.00 0.00 H new ATOM 0 HG13 VAL A 60 -9.767 0.453 -2.182 1.00 0.00 H new ATOM 0 HG21 VAL A 60 -9.718 -1.423 -4.631 1.00 0.00 H new ATOM 0 HG22 VAL A 60 -9.256 0.294 -4.699 1.00 0.00 H new ATOM 0 HG23 VAL A 60 -8.119 -0.956 -5.255 1.00 0.00 H new ATOM 964 N VAL A 61 -7.484 1.594 -1.017 1.00 0.00 N ATOM 965 CA VAL A 61 -7.375 1.988 0.383 1.00 0.00 C ATOM 966 C VAL A 61 -8.635 2.706 0.851 1.00 0.00 C ATOM 967 O VAL A 61 -9.307 3.377 0.068 1.00 0.00 O ATOM 968 CB VAL A 61 -6.159 2.906 0.614 1.00 0.00 C ATOM 969 CG1 VAL A 61 -4.864 2.154 0.347 1.00 0.00 C ATOM 970 CG2 VAL A 61 -6.255 4.147 -0.259 1.00 0.00 C ATOM 0 H VAL A 61 -7.990 2.257 -1.604 1.00 0.00 H new ATOM 0 HA VAL A 61 -7.246 1.073 0.961 1.00 0.00 H new ATOM 0 HB VAL A 61 -6.158 3.223 1.657 1.00 0.00 H new ATOM 0 HG11 VAL A 61 -4.016 2.818 0.515 1.00 0.00 H new ATOM 0 HG12 VAL A 61 -4.794 1.299 1.020 1.00 0.00 H new ATOM 0 HG13 VAL A 61 -4.852 1.805 -0.686 1.00 0.00 H new ATOM 0 HG21 VAL A 61 -5.388 4.784 -0.083 1.00 0.00 H new ATOM 0 HG22 VAL A 61 -6.282 3.853 -1.308 1.00 0.00 H new ATOM 0 HG23 VAL A 61 -7.164 4.696 -0.013 1.00 0.00 H new ATOM 980 N GLN A 62 -8.951 2.560 2.134 1.00 0.00 N ATOM 981 CA GLN A 62 -10.132 3.194 2.707 1.00 0.00 C ATOM 982 C GLN A 62 -9.870 4.668 3.001 1.00 0.00 C ATOM 983 O GLN A 62 -9.189 5.005 3.970 1.00 0.00 O ATOM 984 CB GLN A 62 -10.553 2.473 3.989 1.00 0.00 C ATOM 985 CG GLN A 62 -11.136 1.091 3.745 1.00 0.00 C ATOM 986 CD GLN A 62 -10.068 0.030 3.568 1.00 0.00 C ATOM 987 OE1 GLN A 62 -9.036 0.053 4.239 1.00 0.00 O ATOM 988 NE2 GLN A 62 -10.311 -0.908 2.660 1.00 0.00 N ATOM 0 H GLN A 62 -8.405 2.008 2.796 1.00 0.00 H new ATOM 0 HA GLN A 62 -10.940 3.126 1.978 1.00 0.00 H new ATOM 0 HB2 GLN A 62 -9.688 2.383 4.646 1.00 0.00 H new ATOM 0 HB3 GLN A 62 -11.290 3.082 4.513 1.00 0.00 H new ATOM 0 HG2 GLN A 62 -11.778 0.819 4.583 1.00 0.00 H new ATOM 0 HG3 GLN A 62 -11.766 1.118 2.856 1.00 0.00 H new ATOM 0 HE21 GLN A 62 -11.180 -0.888 2.126 1.00 0.00 H new ATOM 0 HE22 GLN A 62 -9.629 -1.648 2.496 1.00 0.00 H new ATOM 997 N ILE A 63 -10.414 5.540 2.159 1.00 0.00 N ATOM 998 CA ILE A 63 -10.239 6.977 2.330 1.00 0.00 C ATOM 999 C ILE A 63 -11.575 7.667 2.580 1.00 0.00 C ATOM 1000 O ILE A 63 -12.494 7.579 1.765 1.00 0.00 O ATOM 1001 CB ILE A 63 -9.568 7.612 1.098 1.00 0.00 C ATOM 1002 CG1 ILE A 63 -8.120 7.133 0.975 1.00 0.00 C ATOM 1003 CG2 ILE A 63 -9.623 9.130 1.189 1.00 0.00 C ATOM 1004 CD1 ILE A 63 -7.403 7.683 -0.239 1.00 0.00 C ATOM 0 H ILE A 63 -10.979 5.277 1.352 1.00 0.00 H new ATOM 0 HA ILE A 63 -9.593 7.116 3.197 1.00 0.00 H new ATOM 0 HB ILE A 63 -10.111 7.300 0.206 1.00 0.00 H new ATOM 0 HG12 ILE A 63 -7.573 7.422 1.872 1.00 0.00 H new ATOM 0 HG13 ILE A 63 -8.108 6.044 0.931 1.00 0.00 H new ATOM 0 HG21 ILE A 63 -9.145 9.565 0.311 1.00 0.00 H new ATOM 0 HG22 ILE A 63 -10.663 9.454 1.234 1.00 0.00 H new ATOM 0 HG23 ILE A 63 -9.101 9.460 2.087 1.00 0.00 H new ATOM 0 HD11 ILE A 63 -6.382 7.302 -0.262 1.00 0.00 H new ATOM 0 HD12 ILE A 63 -7.927 7.372 -1.143 1.00 0.00 H new ATOM 0 HD13 ILE A 63 -7.383 8.772 -0.187 1.00 0.00 H new ATOM 1016 N HIS A 64 -11.676 8.357 3.712 1.00 0.00 N ATOM 1017 CA HIS A 64 -12.900 9.066 4.068 1.00 0.00 C ATOM 1018 C HIS A 64 -14.060 8.091 4.249 1.00 0.00 C ATOM 1019 O HIS A 64 -15.190 8.376 3.855 1.00 0.00 O ATOM 1020 CB HIS A 64 -13.248 10.098 2.995 1.00 0.00 C ATOM 1021 CG HIS A 64 -12.467 11.370 3.111 1.00 0.00 C ATOM 1022 ND1 HIS A 64 -12.919 12.578 2.622 1.00 0.00 N ATOM 1023 CD2 HIS A 64 -11.259 11.619 3.667 1.00 0.00 C ATOM 1024 CE1 HIS A 64 -12.021 13.514 2.871 1.00 0.00 C ATOM 1025 NE2 HIS A 64 -11.004 12.959 3.505 1.00 0.00 N ATOM 0 H HIS A 64 -10.926 8.440 4.398 1.00 0.00 H new ATOM 0 HA HIS A 64 -12.730 9.580 5.014 1.00 0.00 H new ATOM 0 HB2 HIS A 64 -13.071 9.661 2.012 1.00 0.00 H new ATOM 0 HB3 HIS A 64 -14.312 10.328 3.055 1.00 0.00 H new ATOM 0 HD2 HIS A 64 -10.615 10.898 4.149 1.00 0.00 H new ATOM 0 HE1 HIS A 64 -12.104 14.557 2.602 1.00 0.00 H new ATOM 0 HE2 HIS A 64 -10.166 13.446 3.823 1.00 0.00 H new ATOM 1034 N ASN A 65 -13.770 6.939 4.845 1.00 0.00 N ATOM 1035 CA ASN A 65 -14.789 5.921 5.076 1.00 0.00 C ATOM 1036 C ASN A 65 -15.327 5.380 3.755 1.00 0.00 C ATOM 1037 O ASN A 65 -16.463 4.914 3.681 1.00 0.00 O ATOM 1038 CB ASN A 65 -15.936 6.497 5.908 1.00 0.00 C ATOM 1039 CG ASN A 65 -15.510 6.837 7.324 1.00 0.00 C ATOM 1040 OD1 ASN A 65 -14.352 7.173 7.571 1.00 0.00 O ATOM 1041 ND2 ASN A 65 -16.447 6.750 8.260 1.00 0.00 N ATOM 0 H ASN A 65 -12.839 6.687 5.177 1.00 0.00 H new ATOM 0 HA ASN A 65 -14.328 5.099 5.624 1.00 0.00 H new ATOM 0 HB2 ASN A 65 -16.319 7.394 5.422 1.00 0.00 H new ATOM 0 HB3 ASN A 65 -16.754 5.778 5.941 1.00 0.00 H new ATOM 0 HD21 ASN A 65 -16.220 6.966 9.231 1.00 0.00 H new ATOM 0 HD22 ASN A 65 -17.394 6.467 8.009 1.00 0.00 H new ATOM 1048 N GLN A 66 -14.501 5.444 2.716 1.00 0.00 N ATOM 1049 CA GLN A 66 -14.893 4.960 1.397 1.00 0.00 C ATOM 1050 C GLN A 66 -13.694 4.389 0.647 1.00 0.00 C ATOM 1051 O GLN A 66 -12.638 5.017 0.576 1.00 0.00 O ATOM 1052 CB GLN A 66 -15.528 6.090 0.584 1.00 0.00 C ATOM 1053 CG GLN A 66 -14.943 7.460 0.888 1.00 0.00 C ATOM 1054 CD GLN A 66 -15.920 8.585 0.610 1.00 0.00 C ATOM 1055 OE1 GLN A 66 -17.111 8.353 0.404 1.00 0.00 O ATOM 1056 NE2 GLN A 66 -15.419 9.815 0.602 1.00 0.00 N ATOM 0 H GLN A 66 -13.556 5.826 2.762 1.00 0.00 H new ATOM 0 HA GLN A 66 -15.625 4.164 1.533 1.00 0.00 H new ATOM 0 HB2 GLN A 66 -15.402 5.878 -0.478 1.00 0.00 H new ATOM 0 HB3 GLN A 66 -16.600 6.110 0.780 1.00 0.00 H new ATOM 0 HG2 GLN A 66 -14.639 7.497 1.934 1.00 0.00 H new ATOM 0 HG3 GLN A 66 -14.044 7.608 0.290 1.00 0.00 H new ATOM 0 HE21 GLN A 66 -14.425 9.962 0.778 1.00 0.00 H new ATOM 0 HE22 GLN A 66 -16.028 10.613 0.420 1.00 0.00 H new ATOM 1065 N ASP A 67 -13.865 3.195 0.091 1.00 0.00 N ATOM 1066 CA ASP A 67 -12.797 2.539 -0.654 1.00 0.00 C ATOM 1067 C ASP A 67 -12.392 3.369 -1.868 1.00 0.00 C ATOM 1068 O ASP A 67 -13.241 3.814 -2.640 1.00 0.00 O ATOM 1069 CB ASP A 67 -13.239 1.144 -1.100 1.00 0.00 C ATOM 1070 CG ASP A 67 -14.650 1.133 -1.654 1.00 0.00 C ATOM 1071 OD1 ASP A 67 -14.893 1.815 -2.672 1.00 0.00 O ATOM 1072 OD2 ASP A 67 -15.511 0.443 -1.070 1.00 0.00 O ATOM 0 H ASP A 67 -14.733 2.662 0.142 1.00 0.00 H new ATOM 0 HA ASP A 67 -11.934 2.445 0.005 1.00 0.00 H new ATOM 0 HB2 ASP A 67 -12.551 0.774 -1.860 1.00 0.00 H new ATOM 0 HB3 ASP A 67 -13.179 0.459 -0.254 1.00 0.00 H new ATOM 1077 N PHE A 68 -11.089 3.576 -2.029 1.00 0.00 N ATOM 1078 CA PHE A 68 -10.571 4.355 -3.148 1.00 0.00 C ATOM 1079 C PHE A 68 -9.465 3.595 -3.874 1.00 0.00 C ATOM 1080 O PHE A 68 -8.767 2.772 -3.280 1.00 0.00 O ATOM 1081 CB PHE A 68 -10.041 5.703 -2.655 1.00 0.00 C ATOM 1082 CG PHE A 68 -11.066 6.801 -2.696 1.00 0.00 C ATOM 1083 CD1 PHE A 68 -12.310 6.627 -2.113 1.00 0.00 C ATOM 1084 CD2 PHE A 68 -10.784 8.007 -3.318 1.00 0.00 C ATOM 1085 CE1 PHE A 68 -13.255 7.636 -2.149 1.00 0.00 C ATOM 1086 CE2 PHE A 68 -11.724 9.019 -3.358 1.00 0.00 C ATOM 1087 CZ PHE A 68 -12.961 8.833 -2.772 1.00 0.00 C ATOM 0 H PHE A 68 -10.373 3.215 -1.399 1.00 0.00 H new ATOM 0 HA PHE A 68 -11.388 4.528 -3.848 1.00 0.00 H new ATOM 0 HB2 PHE A 68 -9.681 5.591 -1.632 1.00 0.00 H new ATOM 0 HB3 PHE A 68 -9.185 5.993 -3.264 1.00 0.00 H new ATOM 0 HD1 PHE A 68 -12.545 5.693 -1.625 1.00 0.00 H new ATOM 0 HD2 PHE A 68 -9.818 8.158 -3.777 1.00 0.00 H new ATOM 0 HE1 PHE A 68 -14.222 7.488 -1.691 1.00 0.00 H new ATOM 0 HE2 PHE A 68 -11.492 9.954 -3.847 1.00 0.00 H new ATOM 0 HZ PHE A 68 -13.697 9.623 -2.801 1.00 0.00 H new ATOM 1097 N THR A 69 -9.310 3.877 -5.164 1.00 0.00 N ATOM 1098 CA THR A 69 -8.291 3.220 -5.972 1.00 0.00 C ATOM 1099 C THR A 69 -7.095 4.138 -6.202 1.00 0.00 C ATOM 1100 O THR A 69 -7.183 5.115 -6.946 1.00 0.00 O ATOM 1101 CB THR A 69 -8.854 2.779 -7.337 1.00 0.00 C ATOM 1102 OG1 THR A 69 -10.000 1.943 -7.146 1.00 0.00 O ATOM 1103 CG2 THR A 69 -7.801 2.030 -8.140 1.00 0.00 C ATOM 0 H THR A 69 -9.877 4.556 -5.671 1.00 0.00 H new ATOM 0 HA THR A 69 -7.968 2.339 -5.418 1.00 0.00 H new ATOM 0 HB THR A 69 -9.144 3.671 -7.892 1.00 0.00 H new ATOM 0 HG1 THR A 69 -10.353 1.668 -8.018 1.00 0.00 H new ATOM 0 HG21 THR A 69 -8.221 1.729 -9.099 1.00 0.00 H new ATOM 0 HG22 THR A 69 -6.942 2.679 -8.308 1.00 0.00 H new ATOM 0 HG23 THR A 69 -7.484 1.145 -7.589 1.00 0.00 H new ATOM 1111 N VAL A 70 -5.977 3.817 -5.558 1.00 0.00 N ATOM 1112 CA VAL A 70 -4.762 4.612 -5.694 1.00 0.00 C ATOM 1113 C VAL A 70 -3.869 4.067 -6.803 1.00 0.00 C ATOM 1114 O VAL A 70 -3.294 2.986 -6.676 1.00 0.00 O ATOM 1115 CB VAL A 70 -3.964 4.647 -4.377 1.00 0.00 C ATOM 1116 CG1 VAL A 70 -2.622 5.332 -4.584 1.00 0.00 C ATOM 1117 CG2 VAL A 70 -4.765 5.342 -3.287 1.00 0.00 C ATOM 0 H VAL A 70 -5.888 3.013 -4.937 1.00 0.00 H new ATOM 0 HA VAL A 70 -5.074 5.625 -5.948 1.00 0.00 H new ATOM 0 HB VAL A 70 -3.776 3.622 -4.059 1.00 0.00 H new ATOM 0 HG11 VAL A 70 -2.072 5.347 -3.643 1.00 0.00 H new ATOM 0 HG12 VAL A 70 -2.046 4.786 -5.332 1.00 0.00 H new ATOM 0 HG13 VAL A 70 -2.784 6.354 -4.926 1.00 0.00 H new ATOM 0 HG21 VAL A 70 -4.186 5.358 -2.364 1.00 0.00 H new ATOM 0 HG22 VAL A 70 -4.986 6.364 -3.594 1.00 0.00 H new ATOM 0 HG23 VAL A 70 -5.698 4.803 -3.121 1.00 0.00 H new ATOM 1127 N ASP A 71 -3.758 4.822 -7.890 1.00 0.00 N ATOM 1128 CA ASP A 71 -2.933 4.416 -9.022 1.00 0.00 C ATOM 1129 C ASP A 71 -1.502 4.918 -8.860 1.00 0.00 C ATOM 1130 O ASP A 71 -1.256 6.125 -8.826 1.00 0.00 O ATOM 1131 CB ASP A 71 -3.527 4.944 -10.329 1.00 0.00 C ATOM 1132 CG ASP A 71 -3.173 4.074 -11.519 1.00 0.00 C ATOM 1133 OD1 ASP A 71 -3.225 2.833 -11.384 1.00 0.00 O ATOM 1134 OD2 ASP A 71 -2.844 4.634 -12.585 1.00 0.00 O ATOM 0 H ASP A 71 -4.229 5.719 -8.011 1.00 0.00 H new ATOM 0 HA ASP A 71 -2.915 3.327 -9.054 1.00 0.00 H new ATOM 0 HB2 ASP A 71 -4.611 5.002 -10.235 1.00 0.00 H new ATOM 0 HB3 ASP A 71 -3.168 5.958 -10.504 1.00 0.00 H new ATOM 1139 N LEU A 72 -0.561 3.986 -8.759 1.00 0.00 N ATOM 1140 CA LEU A 72 0.847 4.334 -8.599 1.00 0.00 C ATOM 1141 C LEU A 72 1.422 4.889 -9.898 1.00 0.00 C ATOM 1142 O LEU A 72 2.150 5.882 -9.892 1.00 0.00 O ATOM 1143 CB LEU A 72 1.648 3.108 -8.156 1.00 0.00 C ATOM 1144 CG LEU A 72 1.168 2.417 -6.880 1.00 0.00 C ATOM 1145 CD1 LEU A 72 1.575 0.952 -6.880 1.00 0.00 C ATOM 1146 CD2 LEU A 72 1.718 3.125 -5.650 1.00 0.00 C ATOM 0 H LEU A 72 -0.747 2.983 -8.785 1.00 0.00 H new ATOM 0 HA LEU A 72 0.920 5.105 -7.832 1.00 0.00 H new ATOM 0 HB2 LEU A 72 1.636 2.379 -8.966 1.00 0.00 H new ATOM 0 HB3 LEU A 72 2.686 3.409 -8.014 1.00 0.00 H new ATOM 0 HG LEU A 72 0.080 2.470 -6.849 1.00 0.00 H new ATOM 0 HD11 LEU A 72 1.224 0.477 -5.964 1.00 0.00 H new ATOM 0 HD12 LEU A 72 1.132 0.451 -7.741 1.00 0.00 H new ATOM 0 HD13 LEU A 72 2.661 0.876 -6.935 1.00 0.00 H new ATOM 0 HD21 LEU A 72 1.366 2.619 -4.751 1.00 0.00 H new ATOM 0 HD22 LEU A 72 2.808 3.104 -5.675 1.00 0.00 H new ATOM 0 HD23 LEU A 72 1.375 4.160 -5.642 1.00 0.00 H new ATOM 1158 N SER A 73 1.087 4.244 -11.011 1.00 0.00 N ATOM 1159 CA SER A 73 1.571 4.672 -12.318 1.00 0.00 C ATOM 1160 C SER A 73 1.505 6.191 -12.450 1.00 0.00 C ATOM 1161 O SER A 73 2.493 6.840 -12.794 1.00 0.00 O ATOM 1162 CB SER A 73 0.750 4.016 -13.429 1.00 0.00 C ATOM 1163 OG SER A 73 1.323 2.781 -13.825 1.00 0.00 O ATOM 0 H SER A 73 0.482 3.423 -11.034 1.00 0.00 H new ATOM 0 HA SER A 73 2.611 4.361 -12.413 1.00 0.00 H new ATOM 0 HB2 SER A 73 -0.271 3.853 -13.083 1.00 0.00 H new ATOM 0 HB3 SER A 73 0.693 4.686 -14.287 1.00 0.00 H new ATOM 0 HG SER A 73 0.779 2.381 -14.535 1.00 0.00 H new ATOM 1169 N THR A 74 0.332 6.752 -12.175 1.00 0.00 N ATOM 1170 CA THR A 74 0.134 8.193 -12.265 1.00 0.00 C ATOM 1171 C THR A 74 0.185 8.842 -10.886 1.00 0.00 C ATOM 1172 O THR A 74 0.337 10.057 -10.766 1.00 0.00 O ATOM 1173 CB THR A 74 -1.211 8.536 -12.932 1.00 0.00 C ATOM 1174 OG1 THR A 74 -1.325 9.952 -13.107 1.00 0.00 O ATOM 1175 CG2 THR A 74 -2.375 8.029 -12.093 1.00 0.00 C ATOM 0 H THR A 74 -0.496 6.230 -11.888 1.00 0.00 H new ATOM 0 HA THR A 74 0.945 8.585 -12.879 1.00 0.00 H new ATOM 0 HB THR A 74 -1.244 8.047 -13.905 1.00 0.00 H new ATOM 0 HG1 THR A 74 -2.182 10.161 -13.533 1.00 0.00 H new ATOM 0 HG21 THR A 74 -3.315 8.283 -12.584 1.00 0.00 H new ATOM 0 HG22 THR A 74 -2.302 6.947 -11.986 1.00 0.00 H new ATOM 0 HG23 THR A 74 -2.343 8.494 -11.108 1.00 0.00 H new ATOM 1183 N ASN A 75 0.057 8.023 -9.847 1.00 0.00 N ATOM 1184 CA ASN A 75 0.088 8.517 -8.475 1.00 0.00 C ATOM 1185 C ASN A 75 -1.133 9.385 -8.182 1.00 0.00 C ATOM 1186 O ASN A 75 -1.006 10.517 -7.715 1.00 0.00 O ATOM 1187 CB ASN A 75 1.368 9.318 -8.229 1.00 0.00 C ATOM 1188 CG ASN A 75 2.563 8.738 -8.961 1.00 0.00 C ATOM 1189 OD1 ASN A 75 2.752 8.980 -10.153 1.00 0.00 O ATOM 1190 ND2 ASN A 75 3.376 7.967 -8.248 1.00 0.00 N ATOM 0 H ASN A 75 -0.069 7.014 -9.929 1.00 0.00 H new ATOM 0 HA ASN A 75 0.070 7.658 -7.805 1.00 0.00 H new ATOM 0 HB2 ASN A 75 1.215 10.349 -8.548 1.00 0.00 H new ATOM 0 HB3 ASN A 75 1.578 9.343 -7.160 1.00 0.00 H new ATOM 0 HD21 ASN A 75 4.196 7.548 -8.686 1.00 0.00 H new ATOM 0 HD22 ASN A 75 3.180 7.794 -7.262 1.00 0.00 H new ATOM 1197 N THR A 76 -2.316 8.845 -8.459 1.00 0.00 N ATOM 1198 CA THR A 76 -3.559 9.569 -8.225 1.00 0.00 C ATOM 1199 C THR A 76 -4.663 8.629 -7.755 1.00 0.00 C ATOM 1200 O THR A 76 -4.840 7.541 -8.303 1.00 0.00 O ATOM 1201 CB THR A 76 -4.030 10.300 -9.497 1.00 0.00 C ATOM 1202 OG1 THR A 76 -3.044 11.254 -9.908 1.00 0.00 O ATOM 1203 CG2 THR A 76 -5.356 11.006 -9.255 1.00 0.00 C ATOM 0 H THR A 76 -2.439 7.909 -8.845 1.00 0.00 H new ATOM 0 HA THR A 76 -3.355 10.304 -7.446 1.00 0.00 H new ATOM 0 HB THR A 76 -4.169 9.560 -10.285 1.00 0.00 H new ATOM 0 HG1 THR A 76 -3.350 11.713 -10.718 1.00 0.00 H new ATOM 0 HG21 THR A 76 -5.669 11.515 -10.167 1.00 0.00 H new ATOM 0 HG22 THR A 76 -6.112 10.274 -8.971 1.00 0.00 H new ATOM 0 HG23 THR A 76 -5.239 11.736 -8.454 1.00 0.00 H new ATOM 1211 N ALA A 77 -5.402 9.055 -6.736 1.00 0.00 N ATOM 1212 CA ALA A 77 -6.491 8.251 -6.194 1.00 0.00 C ATOM 1213 C ALA A 77 -7.818 8.608 -6.854 1.00 0.00 C ATOM 1214 O ALA A 77 -8.027 9.745 -7.279 1.00 0.00 O ATOM 1215 CB ALA A 77 -6.582 8.435 -4.686 1.00 0.00 C ATOM 0 H ALA A 77 -5.267 9.952 -6.269 1.00 0.00 H new ATOM 0 HA ALA A 77 -6.279 7.204 -6.409 1.00 0.00 H new ATOM 0 HB1 ALA A 77 -7.399 7.829 -4.294 1.00 0.00 H new ATOM 0 HB2 ALA A 77 -5.645 8.123 -4.224 1.00 0.00 H new ATOM 0 HB3 ALA A 77 -6.767 9.485 -4.458 1.00 0.00 H new ATOM 1221 N THR A 78 -8.715 7.630 -6.938 1.00 0.00 N ATOM 1222 CA THR A 78 -10.021 7.840 -7.548 1.00 0.00 C ATOM 1223 C THR A 78 -11.063 6.899 -6.954 1.00 0.00 C ATOM 1224 O THR A 78 -10.750 5.772 -6.574 1.00 0.00 O ATOM 1225 CB THR A 78 -9.969 7.634 -9.073 1.00 0.00 C ATOM 1226 OG1 THR A 78 -8.824 8.299 -9.619 1.00 0.00 O ATOM 1227 CG2 THR A 78 -11.233 8.163 -9.735 1.00 0.00 C ATOM 0 H THR A 78 -8.560 6.684 -6.590 1.00 0.00 H new ATOM 0 HA THR A 78 -10.305 8.871 -7.338 1.00 0.00 H new ATOM 0 HB THR A 78 -9.896 6.564 -9.270 1.00 0.00 H new ATOM 0 HG1 THR A 78 -8.798 8.162 -10.589 1.00 0.00 H new ATOM 0 HG21 THR A 78 -11.173 8.006 -10.812 1.00 0.00 H new ATOM 0 HG22 THR A 78 -12.100 7.634 -9.339 1.00 0.00 H new ATOM 0 HG23 THR A 78 -11.333 9.229 -9.529 1.00 0.00 H new ATOM 1235 N ALA A 79 -12.304 7.370 -6.879 1.00 0.00 N ATOM 1236 CA ALA A 79 -13.393 6.568 -6.334 1.00 0.00 C ATOM 1237 C ALA A 79 -14.657 6.715 -7.175 1.00 0.00 C ATOM 1238 O ALA A 79 -14.873 7.728 -7.842 1.00 0.00 O ATOM 1239 CB ALA A 79 -13.668 6.963 -4.891 1.00 0.00 C ATOM 0 H ALA A 79 -12.580 8.302 -7.188 1.00 0.00 H new ATOM 0 HA ALA A 79 -13.090 5.521 -6.361 1.00 0.00 H new ATOM 0 HB1 ALA A 79 -14.483 6.356 -4.497 1.00 0.00 H new ATOM 0 HB2 ALA A 79 -12.772 6.800 -4.292 1.00 0.00 H new ATOM 0 HB3 ALA A 79 -13.946 8.016 -4.849 1.00 0.00 H new ATOM 1245 N PRO A 80 -15.512 5.682 -7.145 1.00 0.00 N ATOM 1246 CA PRO A 80 -16.769 5.673 -7.900 1.00 0.00 C ATOM 1247 C PRO A 80 -17.788 6.660 -7.340 1.00 0.00 C ATOM 1248 O PRO A 80 -18.912 6.749 -7.832 1.00 0.00 O ATOM 1249 CB PRO A 80 -17.270 4.236 -7.736 1.00 0.00 C ATOM 1250 CG PRO A 80 -16.655 3.763 -6.464 1.00 0.00 C ATOM 1251 CD PRO A 80 -15.317 4.444 -6.373 1.00 0.00 C ATOM 0 HA PRO A 80 -16.624 5.973 -8.938 1.00 0.00 H new ATOM 0 HB2 PRO A 80 -18.358 4.199 -7.687 1.00 0.00 H new ATOM 0 HB3 PRO A 80 -16.968 3.613 -8.578 1.00 0.00 H new ATOM 0 HG2 PRO A 80 -17.282 4.018 -5.609 1.00 0.00 H new ATOM 0 HG3 PRO A 80 -16.542 2.679 -6.465 1.00 0.00 H new ATOM 0 HD2 PRO A 80 -15.042 4.654 -5.339 1.00 0.00 H new ATOM 0 HD3 PRO A 80 -14.523 3.828 -6.795 1.00 0.00 H new ATOM 1259 N GLN A 81 -17.386 7.398 -6.310 1.00 0.00 N ATOM 1260 CA GLN A 81 -18.266 8.378 -5.684 1.00 0.00 C ATOM 1261 C GLN A 81 -18.192 9.718 -6.409 1.00 0.00 C ATOM 1262 O GLN A 81 -19.198 10.409 -6.562 1.00 0.00 O ATOM 1263 CB GLN A 81 -17.895 8.560 -4.211 1.00 0.00 C ATOM 1264 CG GLN A 81 -17.877 7.260 -3.423 1.00 0.00 C ATOM 1265 CD GLN A 81 -19.246 6.616 -3.329 1.00 0.00 C ATOM 1266 OE1 GLN A 81 -20.265 7.254 -3.595 1.00 0.00 O ATOM 1267 NE2 GLN A 81 -19.277 5.344 -2.949 1.00 0.00 N ATOM 0 H GLN A 81 -16.458 7.336 -5.892 1.00 0.00 H new ATOM 0 HA GLN A 81 -19.288 8.006 -5.751 1.00 0.00 H new ATOM 0 HB2 GLN A 81 -16.912 9.027 -4.148 1.00 0.00 H new ATOM 0 HB3 GLN A 81 -18.605 9.246 -3.748 1.00 0.00 H new ATOM 0 HG2 GLN A 81 -17.184 6.563 -3.894 1.00 0.00 H new ATOM 0 HG3 GLN A 81 -17.501 7.454 -2.418 1.00 0.00 H new ATOM 0 HE21 GLN A 81 -18.408 4.853 -2.738 1.00 0.00 H new ATOM 0 HE22 GLN A 81 -20.170 4.858 -2.868 1.00 0.00 H new ATOM 1276 N GLY A 82 -16.992 10.079 -6.854 1.00 0.00 N ATOM 1277 CA GLY A 82 -16.808 11.335 -7.557 1.00 0.00 C ATOM 1278 C GLY A 82 -15.727 12.195 -6.934 1.00 0.00 C ATOM 1279 O GLY A 82 -15.844 13.420 -6.897 1.00 0.00 O ATOM 0 H GLY A 82 -16.144 9.524 -6.740 1.00 0.00 H new ATOM 0 HA2 GLY A 82 -16.552 11.132 -8.597 1.00 0.00 H new ATOM 0 HA3 GLY A 82 -17.748 11.886 -7.562 1.00 0.00 H new ATOM 1283 N GLN A 83 -14.672 11.553 -6.442 1.00 0.00 N ATOM 1284 CA GLN A 83 -13.567 12.269 -5.816 1.00 0.00 C ATOM 1285 C GLN A 83 -12.226 11.684 -6.247 1.00 0.00 C ATOM 1286 O GLN A 83 -12.075 10.468 -6.364 1.00 0.00 O ATOM 1287 CB GLN A 83 -13.694 12.214 -4.292 1.00 0.00 C ATOM 1288 CG GLN A 83 -14.766 13.139 -3.738 1.00 0.00 C ATOM 1289 CD GLN A 83 -16.122 12.468 -3.641 1.00 0.00 C ATOM 1290 OE1 GLN A 83 -16.987 12.664 -4.495 1.00 0.00 O ATOM 1291 NE2 GLN A 83 -16.315 11.671 -2.596 1.00 0.00 N ATOM 0 H GLN A 83 -14.559 10.539 -6.465 1.00 0.00 H new ATOM 0 HA GLN A 83 -13.611 13.309 -6.140 1.00 0.00 H new ATOM 0 HB2 GLN A 83 -13.918 11.191 -3.991 1.00 0.00 H new ATOM 0 HB3 GLN A 83 -12.734 12.475 -3.846 1.00 0.00 H new ATOM 0 HG2 GLN A 83 -14.465 13.487 -2.750 1.00 0.00 H new ATOM 0 HG3 GLN A 83 -14.845 14.020 -4.375 1.00 0.00 H new ATOM 0 HE21 GLN A 83 -15.570 11.537 -1.912 1.00 0.00 H new ATOM 0 HE22 GLN A 83 -17.208 11.193 -2.477 1.00 0.00 H new ATOM 1300 N THR A 84 -11.252 12.559 -6.482 1.00 0.00 N ATOM 1301 CA THR A 84 -9.924 12.130 -6.901 1.00 0.00 C ATOM 1302 C THR A 84 -8.838 12.946 -6.210 1.00 0.00 C ATOM 1303 O THR A 84 -9.004 14.143 -5.973 1.00 0.00 O ATOM 1304 CB THR A 84 -9.750 12.253 -8.427 1.00 0.00 C ATOM 1305 OG1 THR A 84 -9.641 13.631 -8.798 1.00 0.00 O ATOM 1306 CG2 THR A 84 -10.922 11.617 -9.158 1.00 0.00 C ATOM 0 H THR A 84 -11.359 13.569 -6.389 1.00 0.00 H new ATOM 0 HA THR A 84 -9.825 11.083 -6.614 1.00 0.00 H new ATOM 0 HB THR A 84 -8.838 11.728 -8.710 1.00 0.00 H new ATOM 0 HG1 THR A 84 -9.529 13.700 -9.769 1.00 0.00 H new ATOM 0 HG21 THR A 84 -10.777 11.716 -10.234 1.00 0.00 H new ATOM 0 HG22 THR A 84 -10.984 10.561 -8.896 1.00 0.00 H new ATOM 0 HG23 THR A 84 -11.846 12.118 -8.869 1.00 0.00 H new ATOM 1314 N PHE A 85 -7.727 12.292 -5.888 1.00 0.00 N ATOM 1315 CA PHE A 85 -6.613 12.958 -5.223 1.00 0.00 C ATOM 1316 C PHE A 85 -5.283 12.549 -5.848 1.00 0.00 C ATOM 1317 O PHE A 85 -5.235 11.688 -6.727 1.00 0.00 O ATOM 1318 CB PHE A 85 -6.611 12.627 -3.730 1.00 0.00 C ATOM 1319 CG PHE A 85 -7.979 12.345 -3.177 1.00 0.00 C ATOM 1320 CD1 PHE A 85 -8.891 13.371 -2.991 1.00 0.00 C ATOM 1321 CD2 PHE A 85 -8.353 11.053 -2.842 1.00 0.00 C ATOM 1322 CE1 PHE A 85 -10.151 13.115 -2.483 1.00 0.00 C ATOM 1323 CE2 PHE A 85 -9.611 10.791 -2.333 1.00 0.00 C ATOM 1324 CZ PHE A 85 -10.511 11.823 -2.153 1.00 0.00 C ATOM 0 H PHE A 85 -7.574 11.301 -6.077 1.00 0.00 H new ATOM 0 HA PHE A 85 -6.738 14.033 -5.349 1.00 0.00 H new ATOM 0 HB2 PHE A 85 -5.973 11.760 -3.559 1.00 0.00 H new ATOM 0 HB3 PHE A 85 -6.171 13.460 -3.182 1.00 0.00 H new ATOM 0 HD1 PHE A 85 -8.614 14.383 -3.246 1.00 0.00 H new ATOM 0 HD2 PHE A 85 -7.653 10.242 -2.980 1.00 0.00 H new ATOM 0 HE1 PHE A 85 -10.853 13.924 -2.344 1.00 0.00 H new ATOM 0 HE2 PHE A 85 -9.890 9.780 -2.076 1.00 0.00 H new ATOM 0 HZ PHE A 85 -11.494 11.620 -1.755 1.00 0.00 H new ATOM 1334 N THR A 86 -4.203 13.173 -5.389 1.00 0.00 N ATOM 1335 CA THR A 86 -2.872 12.876 -5.902 1.00 0.00 C ATOM 1336 C THR A 86 -1.967 12.331 -4.803 1.00 0.00 C ATOM 1337 O THR A 86 -1.799 12.956 -3.756 1.00 0.00 O ATOM 1338 CB THR A 86 -2.216 14.126 -6.519 1.00 0.00 C ATOM 1339 OG1 THR A 86 -3.078 14.693 -7.511 1.00 0.00 O ATOM 1340 CG2 THR A 86 -0.873 13.780 -7.144 1.00 0.00 C ATOM 0 H THR A 86 -4.224 13.888 -4.662 1.00 0.00 H new ATOM 0 HA THR A 86 -2.994 12.119 -6.676 1.00 0.00 H new ATOM 0 HB THR A 86 -2.052 14.853 -5.723 1.00 0.00 H new ATOM 0 HG1 THR A 86 -2.654 15.488 -7.897 1.00 0.00 H new ATOM 0 HG21 THR A 86 -0.429 14.678 -7.573 1.00 0.00 H new ATOM 0 HG22 THR A 86 -0.209 13.377 -6.379 1.00 0.00 H new ATOM 0 HG23 THR A 86 -1.017 13.037 -7.928 1.00 0.00 H new ATOM 1348 N VAL A 87 -1.384 11.162 -5.048 1.00 0.00 N ATOM 1349 CA VAL A 87 -0.494 10.533 -4.079 1.00 0.00 C ATOM 1350 C VAL A 87 0.966 10.826 -4.403 1.00 0.00 C ATOM 1351 O VAL A 87 1.369 10.810 -5.566 1.00 0.00 O ATOM 1352 CB VAL A 87 -0.702 9.007 -4.034 1.00 0.00 C ATOM 1353 CG1 VAL A 87 -1.967 8.663 -3.262 1.00 0.00 C ATOM 1354 CG2 VAL A 87 -0.755 8.435 -5.442 1.00 0.00 C ATOM 0 H VAL A 87 -1.512 10.631 -5.909 1.00 0.00 H new ATOM 0 HA VAL A 87 -0.739 10.955 -3.104 1.00 0.00 H new ATOM 0 HB VAL A 87 0.145 8.558 -3.516 1.00 0.00 H new ATOM 0 HG11 VAL A 87 -2.097 7.581 -3.241 1.00 0.00 H new ATOM 0 HG12 VAL A 87 -1.884 9.039 -2.242 1.00 0.00 H new ATOM 0 HG13 VAL A 87 -2.827 9.123 -3.749 1.00 0.00 H new ATOM 0 HG21 VAL A 87 -0.902 7.356 -5.391 1.00 0.00 H new ATOM 0 HG22 VAL A 87 -1.582 8.889 -5.988 1.00 0.00 H new ATOM 0 HG23 VAL A 87 0.181 8.649 -5.957 1.00 0.00 H new ATOM 1364 N GLN A 88 1.754 11.094 -3.367 1.00 0.00 N ATOM 1365 CA GLN A 88 3.171 11.392 -3.542 1.00 0.00 C ATOM 1366 C GLN A 88 4.024 10.556 -2.594 1.00 0.00 C ATOM 1367 O GLN A 88 3.703 10.417 -1.414 1.00 0.00 O ATOM 1368 CB GLN A 88 3.434 12.880 -3.306 1.00 0.00 C ATOM 1369 CG GLN A 88 3.045 13.353 -1.915 1.00 0.00 C ATOM 1370 CD GLN A 88 2.870 14.857 -1.837 1.00 0.00 C ATOM 1371 OE1 GLN A 88 3.376 15.597 -2.682 1.00 0.00 O ATOM 1372 NE2 GLN A 88 2.151 15.319 -0.821 1.00 0.00 N ATOM 0 H GLN A 88 1.436 11.111 -2.398 1.00 0.00 H new ATOM 0 HA GLN A 88 3.446 11.140 -4.566 1.00 0.00 H new ATOM 0 HB2 GLN A 88 4.493 13.083 -3.467 1.00 0.00 H new ATOM 0 HB3 GLN A 88 2.882 13.460 -4.046 1.00 0.00 H new ATOM 0 HG2 GLN A 88 2.116 12.867 -1.617 1.00 0.00 H new ATOM 0 HG3 GLN A 88 3.810 13.043 -1.203 1.00 0.00 H new ATOM 0 HE21 GLN A 88 1.750 14.670 -0.144 1.00 0.00 H new ATOM 0 HE22 GLN A 88 2.000 16.322 -0.718 1.00 0.00 H new ATOM 1381 N ARG A 89 5.111 10.000 -3.119 1.00 0.00 N ATOM 1382 CA ARG A 89 6.010 9.176 -2.319 1.00 0.00 C ATOM 1383 C ARG A 89 7.211 9.987 -1.841 1.00 0.00 C ATOM 1384 O ARG A 89 7.901 10.623 -2.639 1.00 0.00 O ATOM 1385 CB ARG A 89 6.486 7.969 -3.130 1.00 0.00 C ATOM 1386 CG ARG A 89 6.970 6.812 -2.271 1.00 0.00 C ATOM 1387 CD ARG A 89 7.561 5.698 -3.121 1.00 0.00 C ATOM 1388 NE ARG A 89 8.168 4.650 -2.304 1.00 0.00 N ATOM 1389 CZ ARG A 89 9.125 3.839 -2.741 1.00 0.00 C ATOM 1390 NH1 ARG A 89 9.581 3.954 -3.981 1.00 0.00 N ATOM 1391 NH2 ARG A 89 9.627 2.910 -1.938 1.00 0.00 N ATOM 0 H ARG A 89 5.391 10.105 -4.094 1.00 0.00 H new ATOM 0 HA ARG A 89 5.460 8.825 -1.446 1.00 0.00 H new ATOM 0 HB2 ARG A 89 5.670 7.623 -3.764 1.00 0.00 H new ATOM 0 HB3 ARG A 89 7.294 8.282 -3.792 1.00 0.00 H new ATOM 0 HG2 ARG A 89 7.720 7.170 -1.565 1.00 0.00 H new ATOM 0 HG3 ARG A 89 6.140 6.421 -1.683 1.00 0.00 H new ATOM 0 HD2 ARG A 89 6.779 5.264 -3.745 1.00 0.00 H new ATOM 0 HD3 ARG A 89 8.311 6.114 -3.793 1.00 0.00 H new ATOM 0 HE ARG A 89 7.839 4.535 -1.345 1.00 0.00 H new ATOM 0 HH11 ARG A 89 9.197 4.666 -4.602 1.00 0.00 H new ATOM 0 HH12 ARG A 89 10.316 3.330 -4.314 1.00 0.00 H new ATOM 0 HH21 ARG A 89 9.278 2.818 -0.984 1.00 0.00 H new ATOM 0 HH22 ARG A 89 10.362 2.288 -2.275 1.00 0.00 H new ATOM 1405 N LEU A 90 7.454 9.960 -0.536 1.00 0.00 N ATOM 1406 CA LEU A 90 8.572 10.693 0.049 1.00 0.00 C ATOM 1407 C LEU A 90 9.395 9.792 0.964 1.00 0.00 C ATOM 1408 O LEU A 90 8.848 8.965 1.694 1.00 0.00 O ATOM 1409 CB LEU A 90 8.059 11.903 0.833 1.00 0.00 C ATOM 1410 CG LEU A 90 6.911 12.682 0.190 1.00 0.00 C ATOM 1411 CD1 LEU A 90 5.570 12.108 0.620 1.00 0.00 C ATOM 1412 CD2 LEU A 90 7.001 14.158 0.548 1.00 0.00 C ATOM 0 H LEU A 90 6.893 9.439 0.138 1.00 0.00 H new ATOM 0 HA LEU A 90 9.213 11.038 -0.762 1.00 0.00 H new ATOM 0 HB2 LEU A 90 7.735 11.563 1.816 1.00 0.00 H new ATOM 0 HB3 LEU A 90 8.892 12.588 0.992 1.00 0.00 H new ATOM 0 HG LEU A 90 6.994 12.586 -0.893 1.00 0.00 H new ATOM 0 HD11 LEU A 90 4.765 12.675 0.153 1.00 0.00 H new ATOM 0 HD12 LEU A 90 5.505 11.064 0.312 1.00 0.00 H new ATOM 0 HD13 LEU A 90 5.477 12.173 1.704 1.00 0.00 H new ATOM 0 HD21 LEU A 90 6.176 14.696 0.082 1.00 0.00 H new ATOM 0 HD22 LEU A 90 6.944 14.274 1.630 1.00 0.00 H new ATOM 0 HD23 LEU A 90 7.947 14.562 0.189 1.00 0.00 H new ATOM 1424 N VAL A 91 10.713 9.960 0.922 1.00 0.00 N ATOM 1425 CA VAL A 91 11.611 9.164 1.749 1.00 0.00 C ATOM 1426 C VAL A 91 11.876 9.847 3.087 1.00 0.00 C ATOM 1427 O VAL A 91 12.039 11.065 3.153 1.00 0.00 O ATOM 1428 CB VAL A 91 12.955 8.913 1.039 1.00 0.00 C ATOM 1429 CG1 VAL A 91 13.675 10.228 0.780 1.00 0.00 C ATOM 1430 CG2 VAL A 91 13.823 7.971 1.859 1.00 0.00 C ATOM 0 H VAL A 91 11.182 10.640 0.324 1.00 0.00 H new ATOM 0 HA VAL A 91 11.117 8.208 1.923 1.00 0.00 H new ATOM 0 HB VAL A 91 12.756 8.440 0.077 1.00 0.00 H new ATOM 0 HG11 VAL A 91 14.622 10.031 0.278 1.00 0.00 H new ATOM 0 HG12 VAL A 91 13.055 10.864 0.149 1.00 0.00 H new ATOM 0 HG13 VAL A 91 13.864 10.732 1.728 1.00 0.00 H new ATOM 0 HG21 VAL A 91 14.768 7.805 1.342 1.00 0.00 H new ATOM 0 HG22 VAL A 91 14.016 8.413 2.837 1.00 0.00 H new ATOM 0 HG23 VAL A 91 13.307 7.019 1.987 1.00 0.00 H new ATOM 1440 N LYS A 92 11.918 9.053 4.152 1.00 0.00 N ATOM 1441 CA LYS A 92 12.165 9.579 5.489 1.00 0.00 C ATOM 1442 C LYS A 92 13.617 9.360 5.900 1.00 0.00 C ATOM 1443 O LYS A 92 14.183 8.292 5.668 1.00 0.00 O ATOM 1444 CB LYS A 92 11.231 8.913 6.502 1.00 0.00 C ATOM 1445 CG LYS A 92 9.758 9.171 6.233 1.00 0.00 C ATOM 1446 CD LYS A 92 9.302 10.486 6.842 1.00 0.00 C ATOM 1447 CE LYS A 92 9.436 11.634 5.853 1.00 0.00 C ATOM 1448 NZ LYS A 92 8.623 12.814 6.260 1.00 0.00 N ATOM 0 H LYS A 92 11.784 8.043 4.115 1.00 0.00 H new ATOM 0 HA LYS A 92 11.968 10.651 5.473 1.00 0.00 H new ATOM 0 HB2 LYS A 92 11.410 7.838 6.496 1.00 0.00 H new ATOM 0 HB3 LYS A 92 11.477 9.272 7.501 1.00 0.00 H new ATOM 0 HG2 LYS A 92 9.581 9.186 5.158 1.00 0.00 H new ATOM 0 HG3 LYS A 92 9.164 8.354 6.642 1.00 0.00 H new ATOM 0 HD2 LYS A 92 8.264 10.399 7.162 1.00 0.00 H new ATOM 0 HD3 LYS A 92 9.893 10.700 7.732 1.00 0.00 H new ATOM 0 HE2 LYS A 92 10.484 11.925 5.774 1.00 0.00 H new ATOM 0 HE3 LYS A 92 9.122 11.300 4.864 1.00 0.00 H new ATOM 0 HZ1 LYS A 92 8.741 13.575 5.561 1.00 0.00 H new ATOM 0 HZ2 LYS A 92 7.620 12.544 6.311 1.00 0.00 H new ATOM 0 HZ3 LYS A 92 8.939 13.149 7.192 1.00 0.00 H new ATOM 1462 N ALA A 93 14.214 10.377 6.513 1.00 0.00 N ATOM 1463 CA ALA A 93 15.599 10.293 6.960 1.00 0.00 C ATOM 1464 C ALA A 93 15.720 10.642 8.440 1.00 0.00 C ATOM 1465 O ALA A 93 16.203 9.840 9.239 1.00 0.00 O ATOM 1466 CB ALA A 93 16.479 11.212 6.125 1.00 0.00 C ATOM 0 H ALA A 93 13.760 11.269 6.711 1.00 0.00 H new ATOM 0 HA ALA A 93 15.937 9.265 6.827 1.00 0.00 H new ATOM 0 HB1 ALA A 93 17.511 11.140 6.469 1.00 0.00 H new ATOM 0 HB2 ALA A 93 16.424 10.915 5.078 1.00 0.00 H new ATOM 0 HB3 ALA A 93 16.133 12.240 6.229 1.00 0.00 H new ATOM 1472 N SER A 94 15.280 11.844 8.798 1.00 0.00 N ATOM 1473 CA SER A 94 15.344 12.300 10.181 1.00 0.00 C ATOM 1474 C SER A 94 14.949 11.182 11.141 1.00 0.00 C ATOM 1475 O SER A 94 14.074 10.371 10.841 1.00 0.00 O ATOM 1476 CB SER A 94 14.428 13.509 10.385 1.00 0.00 C ATOM 1477 OG SER A 94 14.893 14.328 11.444 1.00 0.00 O ATOM 0 H SER A 94 14.875 12.519 8.149 1.00 0.00 H new ATOM 0 HA SER A 94 16.372 12.592 10.394 1.00 0.00 H new ATOM 0 HB2 SER A 94 14.379 14.092 9.465 1.00 0.00 H new ATOM 0 HB3 SER A 94 13.415 13.169 10.601 1.00 0.00 H new ATOM 0 HG SER A 94 14.292 15.094 11.553 1.00 0.00 H new ATOM 1483 N GLY A 95 15.603 11.145 12.298 1.00 0.00 N ATOM 1484 CA GLY A 95 15.308 10.123 13.285 1.00 0.00 C ATOM 1485 C GLY A 95 16.537 9.333 13.687 1.00 0.00 C ATOM 1486 O GLY A 95 17.641 9.570 13.197 1.00 0.00 O ATOM 0 H GLY A 95 16.332 11.805 12.569 1.00 0.00 H new ATOM 0 HA2 GLY A 95 14.875 10.591 14.169 1.00 0.00 H new ATOM 0 HA3 GLY A 95 14.557 9.442 12.885 1.00 0.00 H new ATOM 1490 N PRO A 96 16.353 8.369 14.601 1.00 0.00 N ATOM 1491 CA PRO A 96 17.445 7.522 15.090 1.00 0.00 C ATOM 1492 C PRO A 96 17.948 6.552 14.025 1.00 0.00 C ATOM 1493 O PRO A 96 18.830 5.734 14.285 1.00 0.00 O ATOM 1494 CB PRO A 96 16.808 6.757 16.252 1.00 0.00 C ATOM 1495 CG PRO A 96 15.352 6.738 15.941 1.00 0.00 C ATOM 1496 CD PRO A 96 15.064 8.031 15.228 1.00 0.00 C ATOM 0 HA PRO A 96 18.318 8.108 15.376 1.00 0.00 H new ATOM 0 HB2 PRO A 96 17.210 5.747 16.328 1.00 0.00 H new ATOM 0 HB3 PRO A 96 17.003 7.250 17.204 1.00 0.00 H new ATOM 0 HG2 PRO A 96 15.098 5.882 15.315 1.00 0.00 H new ATOM 0 HG3 PRO A 96 14.759 6.654 16.852 1.00 0.00 H new ATOM 0 HD2 PRO A 96 14.275 7.913 14.486 1.00 0.00 H new ATOM 0 HD3 PRO A 96 14.738 8.807 15.920 1.00 0.00 H new ATOM 1504 N SER A 97 17.381 6.651 12.827 1.00 0.00 N ATOM 1505 CA SER A 97 17.769 5.779 11.724 1.00 0.00 C ATOM 1506 C SER A 97 19.188 6.092 11.259 1.00 0.00 C ATOM 1507 O SER A 97 20.038 5.204 11.184 1.00 0.00 O ATOM 1508 CB SER A 97 16.792 5.933 10.557 1.00 0.00 C ATOM 1509 OG SER A 97 16.774 7.267 10.079 1.00 0.00 O ATOM 0 H SER A 97 16.652 7.326 12.595 1.00 0.00 H new ATOM 0 HA SER A 97 17.740 4.749 12.079 1.00 0.00 H new ATOM 0 HB2 SER A 97 17.076 5.258 9.750 1.00 0.00 H new ATOM 0 HB3 SER A 97 15.791 5.644 10.877 1.00 0.00 H new ATOM 0 HG SER A 97 16.143 7.339 9.333 1.00 0.00 H new ATOM 1515 N SER A 98 19.437 7.360 10.948 1.00 0.00 N ATOM 1516 CA SER A 98 20.751 7.790 10.486 1.00 0.00 C ATOM 1517 C SER A 98 21.834 7.400 11.488 1.00 0.00 C ATOM 1518 O SER A 98 21.880 7.918 12.603 1.00 0.00 O ATOM 1519 CB SER A 98 20.767 9.304 10.266 1.00 0.00 C ATOM 1520 OG SER A 98 20.657 10.000 11.496 1.00 0.00 O ATOM 0 H SER A 98 18.746 8.108 11.008 1.00 0.00 H new ATOM 0 HA SER A 98 20.958 7.289 9.540 1.00 0.00 H new ATOM 0 HB2 SER A 98 21.690 9.592 9.763 1.00 0.00 H new ATOM 0 HB3 SER A 98 19.945 9.588 9.609 1.00 0.00 H new ATOM 0 HG SER A 98 20.964 9.424 12.227 1.00 0.00 H new ATOM 1526 N GLY A 99 22.704 6.480 11.081 1.00 0.00 N ATOM 1527 CA GLY A 99 23.774 6.034 11.953 1.00 0.00 C ATOM 1528 C GLY A 99 23.396 4.802 12.752 1.00 0.00 C ATOM 1529 O GLY A 99 22.438 4.106 12.416 1.00 0.00 O ATOM 0 H GLY A 99 22.686 6.036 10.163 1.00 0.00 H new ATOM 0 HA2 GLY A 99 24.659 5.818 11.355 1.00 0.00 H new ATOM 0 HA3 GLY A 99 24.040 6.839 12.637 1.00 0.00 H new TER 1533 GLY A 99