USER MOD reduce.3.24.130724 H: found=0, std=0, add=569, rem=0, adj=20 USER MOD reduce.3.24.130724 removed 562 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 33 THR OG1 : rot 101:sc= 0.287 USER MOD Set 1.2: A 55 HIS : no HE2:sc= 0.633 K(o=0.92,f=-3.2!) USER MOD Set 2.1: A 27 GLN : amide:sc= -0.99 X(o=-0.82,f=-0.4) USER MOD Set 2.2: A 29 GLN : amide:sc= 0.174 X(o=-0.82,f=-0.85) USER MOD Single : A 1 GLY N :NH3+ 170:sc= 0 (180deg=-0.084) USER MOD Single : A 3 THR OG1 : rot 180:sc= 0.327 USER MOD Single : A 4 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 10 THR OG1 : rot -160:sc= -0.0394 USER MOD Single : A 18 HIS : no HE2:sc= 0.494 K(o=0.49,f=-2.7!) USER MOD Single : A 20 SER OG : rot -67:sc= 1.73 USER MOD Single : A 23 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 26 THR OG1 : rot 70:sc= 0.809 USER MOD Single : A 30 THR OG1 : rot 101:sc= 0.0983 USER MOD Single : A 35 HIS : no HE2:sc= 1.12 K(o=1.1,f=-3.8!) USER MOD Single : A 37 SER OG : rot 86:sc= 0.926 USER MOD Single : A 39 GLN : amide:sc= 1.05 K(o=1,f=0) USER MOD Single : A 41 GLN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 42 MET CE :methyl 172:sc= 0 (180deg=-0.0897) USER MOD Single : A 44 GLN : amide:sc= -2.36 K(o=-2.4,f=-3.1!) USER MOD Single : A 50 GLN :FLIP amide:sc= -0.139 F(o=-0.68!,f=-0.14) USER MOD Single : A 51 GLN : amide:sc= -1.56 X(o=-1.6,f=-1.8) USER MOD Single : A 52 THR OG1 : rot 180:sc= 0.0277 USER MOD Single : A 57 GLN : amide:sc= 1.17 K(o=1.2,f=-0.0073) USER MOD Single : A 61 THR OG1 : rot -65:sc= 0.737 USER MOD Single : A 64 LYS NZ :NH3+ 174:sc= 0 (180deg=-0.0161) USER MOD Single : A 68 ASN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 69 LYS NZ :NH3+ -163:sc= 0.157 (180deg=0.0994) USER MOD Single : A 71 HIS : no HE2:sc= 1.04 K(o=1,f=-3.6!) USER MOD Single : A 73 HIS : no HE2:sc= 0.74 K(o=0.74,f=-2.9!) USER MOD Single : A 79 SER OG : rot 130:sc= 1.52 USER MOD ----------------------------------------------------------------- ATOM 1 N GLY A 1 29.658 -18.829 -17.219 1.00 10.00 N ATOM 2 CA GLY A 1 28.258 -19.116 -16.947 1.00 10.00 C ATOM 3 C GLY A 1 27.969 -19.061 -15.449 1.00 10.00 C ATOM 4 O GLY A 1 27.242 -19.896 -14.920 1.00 10.00 O ATOM 0 H1 GLY A 1 29.868 -19.037 -18.216 1.00 10.00 H new ATOM 0 H2 GLY A 1 29.850 -17.825 -17.027 1.00 10.00 H new ATOM 0 H3 GLY A 1 30.258 -19.420 -16.609 1.00 10.00 H new ATOM 0 HA2 GLY A 1 27.628 -18.396 -17.469 1.00 10.00 H new ATOM 0 HA3 GLY A 1 28.004 -20.103 -17.334 1.00 10.00 H new ATOM 8 N VAL A 2 28.551 -18.070 -14.767 1.00 10.00 N ATOM 9 CA VAL A 2 28.384 -17.871 -13.332 1.00 10.00 C ATOM 10 C VAL A 2 26.903 -17.653 -13.003 1.00 10.00 C ATOM 11 O VAL A 2 26.389 -18.201 -12.030 1.00 10.00 O ATOM 12 CB VAL A 2 29.259 -16.694 -12.860 1.00 10.00 C ATOM 13 CG1 VAL A 2 29.095 -16.446 -11.354 1.00 10.00 C ATOM 14 CG2 VAL A 2 30.742 -16.964 -13.149 1.00 10.00 C ATOM 0 H VAL A 2 29.158 -17.377 -15.205 1.00 10.00 H new ATOM 0 HA VAL A 2 28.712 -18.762 -12.796 1.00 10.00 H new ATOM 0 HB VAL A 2 28.929 -15.813 -13.411 1.00 10.00 H new ATOM 0 HG11 VAL A 2 29.725 -15.609 -11.052 1.00 10.00 H new ATOM 0 HG12 VAL A 2 28.053 -16.213 -11.135 1.00 10.00 H new ATOM 0 HG13 VAL A 2 29.390 -17.340 -10.804 1.00 10.00 H new ATOM 0 HG21 VAL A 2 31.339 -16.119 -12.807 1.00 10.00 H new ATOM 0 HG22 VAL A 2 31.056 -17.866 -12.625 1.00 10.00 H new ATOM 0 HG23 VAL A 2 30.885 -17.099 -14.221 1.00 10.00 H new ATOM 24 N THR A 3 26.217 -16.854 -13.821 1.00 10.00 N ATOM 25 CA THR A 3 24.803 -16.554 -13.692 1.00 10.00 C ATOM 26 C THR A 3 24.353 -15.886 -14.995 1.00 10.00 C ATOM 27 O THR A 3 25.093 -15.902 -15.978 1.00 10.00 O ATOM 28 CB THR A 3 24.526 -15.711 -12.430 1.00 10.00 C ATOM 29 OG1 THR A 3 23.131 -15.576 -12.238 1.00 10.00 O ATOM 30 CG2 THR A 3 25.167 -14.320 -12.491 1.00 10.00 C ATOM 0 H THR A 3 26.651 -16.385 -14.616 1.00 10.00 H new ATOM 0 HA THR A 3 24.217 -17.462 -13.550 1.00 10.00 H new ATOM 0 HB THR A 3 24.977 -16.241 -11.591 1.00 10.00 H new ATOM 0 HG1 THR A 3 22.962 -15.041 -11.434 1.00 10.00 H new ATOM 0 HG21 THR A 3 24.938 -13.773 -11.576 1.00 10.00 H new ATOM 0 HG22 THR A 3 26.248 -14.421 -12.592 1.00 10.00 H new ATOM 0 HG23 THR A 3 24.772 -13.775 -13.348 1.00 10.00 H new ATOM 38 N LYS A 4 23.163 -15.285 -14.985 1.00 10.00 N ATOM 39 CA LYS A 4 22.542 -14.580 -16.096 1.00 10.00 C ATOM 40 C LYS A 4 21.345 -13.811 -15.528 1.00 10.00 C ATOM 41 O LYS A 4 21.274 -13.598 -14.319 1.00 10.00 O ATOM 42 CB LYS A 4 22.148 -15.577 -17.206 1.00 10.00 C ATOM 43 CG LYS A 4 21.173 -16.663 -16.723 1.00 10.00 C ATOM 44 CD LYS A 4 20.810 -17.659 -17.834 1.00 10.00 C ATOM 45 CE LYS A 4 19.944 -17.024 -18.930 1.00 10.00 C ATOM 46 NZ LYS A 4 19.489 -18.034 -19.900 1.00 10.00 N ATOM 0 H LYS A 4 22.576 -15.280 -14.151 1.00 10.00 H new ATOM 0 HA LYS A 4 23.228 -13.873 -16.563 1.00 10.00 H new ATOM 0 HB2 LYS A 4 21.693 -15.030 -18.032 1.00 10.00 H new ATOM 0 HB3 LYS A 4 23.048 -16.052 -17.595 1.00 10.00 H new ATOM 0 HG2 LYS A 4 21.619 -17.202 -15.887 1.00 10.00 H new ATOM 0 HG3 LYS A 4 20.264 -16.191 -16.350 1.00 10.00 H new ATOM 0 HD2 LYS A 4 21.724 -18.051 -18.279 1.00 10.00 H new ATOM 0 HD3 LYS A 4 20.278 -18.506 -17.400 1.00 10.00 H new ATOM 0 HE2 LYS A 4 19.081 -16.535 -18.478 1.00 10.00 H new ATOM 0 HE3 LYS A 4 20.514 -16.251 -19.446 1.00 10.00 H new ATOM 0 HZ1 LYS A 4 18.906 -17.577 -20.630 1.00 10.00 H new ATOM 0 HZ2 LYS A 4 20.314 -18.482 -20.347 1.00 10.00 H new ATOM 0 HZ3 LYS A 4 18.925 -18.757 -19.409 1.00 10.00 H new ATOM 60 N GLU A 5 20.374 -13.433 -16.362 1.00 10.00 N ATOM 61 CA GLU A 5 19.159 -12.762 -15.919 1.00 10.00 C ATOM 62 C GLU A 5 18.212 -13.776 -15.256 1.00 10.00 C ATOM 63 O GLU A 5 17.136 -14.066 -15.774 1.00 10.00 O ATOM 64 CB GLU A 5 18.513 -12.010 -17.097 1.00 10.00 C ATOM 65 CG GLU A 5 18.363 -12.836 -18.386 1.00 10.00 C ATOM 66 CD GLU A 5 17.525 -12.089 -19.418 1.00 10.00 C ATOM 67 OE1 GLU A 5 18.040 -11.075 -19.936 1.00 10.00 O ATOM 68 OE2 GLU A 5 16.387 -12.541 -19.667 1.00 10.00 O ATOM 0 H GLU A 5 20.413 -13.587 -17.370 1.00 10.00 H new ATOM 0 HA GLU A 5 19.398 -12.014 -15.163 1.00 10.00 H new ATOM 0 HB2 GLU A 5 17.527 -11.660 -16.790 1.00 10.00 H new ATOM 0 HB3 GLU A 5 19.111 -11.125 -17.317 1.00 10.00 H new ATOM 0 HG2 GLU A 5 19.348 -13.053 -18.800 1.00 10.00 H new ATOM 0 HG3 GLU A 5 17.895 -13.794 -18.157 1.00 10.00 H new ATOM 75 N ILE A 6 18.618 -14.334 -14.111 1.00 10.00 N ATOM 76 CA ILE A 6 17.859 -15.349 -13.384 1.00 10.00 C ATOM 77 C ILE A 6 16.610 -14.782 -12.695 1.00 10.00 C ATOM 78 O ILE A 6 16.463 -14.868 -11.479 1.00 10.00 O ATOM 79 CB ILE A 6 18.771 -16.194 -12.460 1.00 10.00 C ATOM 80 CG1 ILE A 6 19.307 -15.552 -11.160 1.00 10.00 C ATOM 81 CG2 ILE A 6 19.926 -16.793 -13.272 1.00 10.00 C ATOM 82 CD1 ILE A 6 19.924 -14.159 -11.299 1.00 10.00 C ATOM 0 H ILE A 6 19.498 -14.087 -13.658 1.00 10.00 H new ATOM 0 HA ILE A 6 17.463 -16.047 -14.121 1.00 10.00 H new ATOM 0 HB ILE A 6 18.089 -16.955 -12.080 1.00 10.00 H new ATOM 0 HG12 ILE A 6 18.488 -15.494 -10.444 1.00 10.00 H new ATOM 0 HG13 ILE A 6 20.057 -16.218 -10.733 1.00 10.00 H new ATOM 0 HG21 ILE A 6 20.563 -17.386 -12.616 1.00 10.00 H new ATOM 0 HG22 ILE A 6 19.525 -17.430 -14.060 1.00 10.00 H new ATOM 0 HG23 ILE A 6 20.512 -15.990 -13.718 1.00 10.00 H new ATOM 0 HD11 ILE A 6 20.264 -13.813 -10.323 1.00 10.00 H new ATOM 0 HD12 ILE A 6 20.771 -14.203 -11.984 1.00 10.00 H new ATOM 0 HD13 ILE A 6 19.177 -13.468 -11.690 1.00 10.00 H new ATOM 94 N ARG A 7 15.663 -14.241 -13.468 1.00 10.00 N ATOM 95 CA ARG A 7 14.401 -13.733 -12.939 1.00 10.00 C ATOM 96 C ARG A 7 13.475 -14.923 -12.662 1.00 10.00 C ATOM 97 O ARG A 7 12.393 -15.049 -13.229 1.00 10.00 O ATOM 98 CB ARG A 7 13.800 -12.687 -13.896 1.00 10.00 C ATOM 99 CG ARG A 7 12.898 -11.635 -13.218 1.00 10.00 C ATOM 100 CD ARG A 7 11.565 -12.157 -12.656 1.00 10.00 C ATOM 101 NE ARG A 7 11.726 -12.806 -11.343 1.00 10.00 N ATOM 102 CZ ARG A 7 11.605 -12.223 -10.140 1.00 10.00 C ATOM 103 NH1 ARG A 7 11.239 -10.947 -10.003 1.00 10.00 N ATOM 104 NH2 ARG A 7 11.857 -12.925 -9.035 1.00 10.00 N ATOM 0 H ARG A 7 15.754 -14.145 -14.479 1.00 10.00 H new ATOM 0 HA ARG A 7 14.553 -13.210 -11.995 1.00 10.00 H new ATOM 0 HB2 ARG A 7 14.614 -12.173 -14.407 1.00 10.00 H new ATOM 0 HB3 ARG A 7 13.220 -13.205 -14.660 1.00 10.00 H new ATOM 0 HG2 ARG A 7 13.458 -11.174 -12.404 1.00 10.00 H new ATOM 0 HG3 ARG A 7 12.682 -10.849 -13.941 1.00 10.00 H new ATOM 0 HD2 ARG A 7 10.863 -11.329 -12.565 1.00 10.00 H new ATOM 0 HD3 ARG A 7 11.131 -12.868 -13.359 1.00 10.00 H new ATOM 0 HE ARG A 7 11.953 -13.800 -11.349 1.00 10.00 H new ATOM 0 HH11 ARG A 7 11.041 -10.382 -10.829 1.00 10.00 H new ATOM 0 HH12 ARG A 7 11.157 -10.537 -9.073 1.00 10.00 H new ATOM 0 HH21 ARG A 7 12.141 -13.902 -9.105 1.00 10.00 H new ATOM 0 HH22 ARG A 7 11.766 -12.485 -8.119 1.00 10.00 H new ATOM 118 N ILE A 8 13.894 -15.805 -11.756 1.00 10.00 N ATOM 119 CA ILE A 8 13.100 -16.942 -11.323 1.00 10.00 C ATOM 120 C ILE A 8 12.081 -16.381 -10.325 1.00 10.00 C ATOM 121 O ILE A 8 12.482 -15.571 -9.485 1.00 10.00 O ATOM 122 CB ILE A 8 14.021 -17.988 -10.663 1.00 10.00 C ATOM 123 CG1 ILE A 8 15.209 -18.394 -11.558 1.00 10.00 C ATOM 124 CG2 ILE A 8 13.246 -19.235 -10.213 1.00 10.00 C ATOM 125 CD1 ILE A 8 14.820 -18.884 -12.958 1.00 10.00 C ATOM 0 H ILE A 8 14.805 -15.745 -11.300 1.00 10.00 H new ATOM 0 HA ILE A 8 12.593 -17.440 -12.150 1.00 10.00 H new ATOM 0 HB ILE A 8 14.430 -17.498 -9.780 1.00 10.00 H new ATOM 0 HG12 ILE A 8 15.878 -17.539 -11.660 1.00 10.00 H new ATOM 0 HG13 ILE A 8 15.772 -19.181 -11.056 1.00 10.00 H new ATOM 0 HG21 ILE A 8 13.934 -19.945 -9.754 1.00 10.00 H new ATOM 0 HG22 ILE A 8 12.484 -18.948 -9.489 1.00 10.00 H new ATOM 0 HG23 ILE A 8 12.769 -19.699 -11.077 1.00 10.00 H new ATOM 0 HD11 ILE A 8 15.720 -19.147 -13.515 1.00 10.00 H new ATOM 0 HD12 ILE A 8 14.178 -19.761 -12.871 1.00 10.00 H new ATOM 0 HD13 ILE A 8 14.286 -18.093 -13.485 1.00 10.00 H new ATOM 137 N PRO A 9 10.793 -16.764 -10.381 1.00 10.00 N ATOM 138 CA PRO A 9 9.790 -16.280 -9.442 1.00 10.00 C ATOM 139 C PRO A 9 10.158 -16.770 -8.038 1.00 10.00 C ATOM 140 O PRO A 9 9.815 -17.880 -7.637 1.00 10.00 O ATOM 141 CB PRO A 9 8.449 -16.822 -9.945 1.00 10.00 C ATOM 142 CG PRO A 9 8.846 -18.074 -10.726 1.00 10.00 C ATOM 143 CD PRO A 9 10.199 -17.694 -11.326 1.00 10.00 C ATOM 0 HA PRO A 9 9.733 -15.193 -9.381 1.00 10.00 H new ATOM 0 HB2 PRO A 9 7.776 -17.059 -9.121 1.00 10.00 H new ATOM 0 HB3 PRO A 9 7.935 -16.099 -10.578 1.00 10.00 H new ATOM 0 HG2 PRO A 9 8.924 -18.946 -10.077 1.00 10.00 H new ATOM 0 HG3 PRO A 9 8.116 -18.316 -11.499 1.00 10.00 H new ATOM 0 HD2 PRO A 9 10.829 -18.573 -11.461 1.00 10.00 H new ATOM 0 HD3 PRO A 9 10.079 -17.234 -12.307 1.00 10.00 H new ATOM 151 N THR A 10 10.926 -15.949 -7.321 1.00 10.00 N ATOM 152 CA THR A 10 11.523 -16.232 -6.030 1.00 10.00 C ATOM 153 C THR A 10 10.485 -16.293 -4.906 1.00 10.00 C ATOM 154 O THR A 10 10.515 -15.492 -3.973 1.00 10.00 O ATOM 155 CB THR A 10 12.612 -15.170 -5.785 1.00 10.00 C ATOM 156 OG1 THR A 10 13.134 -14.689 -7.014 1.00 10.00 O ATOM 157 CG2 THR A 10 13.755 -15.716 -4.928 1.00 10.00 C ATOM 0 H THR A 10 11.158 -15.013 -7.653 1.00 10.00 H new ATOM 0 HA THR A 10 11.973 -17.225 -6.033 1.00 10.00 H new ATOM 0 HB THR A 10 12.138 -14.349 -5.246 1.00 10.00 H new ATOM 0 HG1 THR A 10 14.009 -14.275 -6.858 1.00 10.00 H new ATOM 0 HG21 THR A 10 14.502 -14.936 -4.778 1.00 10.00 H new ATOM 0 HG22 THR A 10 13.365 -16.035 -3.962 1.00 10.00 H new ATOM 0 HG23 THR A 10 14.214 -16.566 -5.432 1.00 10.00 H new ATOM 165 N LEU A 11 9.554 -17.242 -4.992 1.00 10.00 N ATOM 166 CA LEU A 11 8.531 -17.413 -3.979 1.00 10.00 C ATOM 167 C LEU A 11 9.164 -17.907 -2.682 1.00 10.00 C ATOM 168 O LEU A 11 9.594 -19.055 -2.600 1.00 10.00 O ATOM 169 CB LEU A 11 7.429 -18.362 -4.451 1.00 10.00 C ATOM 170 CG LEU A 11 6.628 -17.841 -5.654 1.00 10.00 C ATOM 171 CD1 LEU A 11 5.375 -18.704 -5.789 1.00 10.00 C ATOM 172 CD2 LEU A 11 6.207 -16.374 -5.501 1.00 10.00 C ATOM 0 H LEU A 11 9.493 -17.907 -5.763 1.00 10.00 H new ATOM 0 HA LEU A 11 8.063 -16.446 -3.795 1.00 10.00 H new ATOM 0 HB2 LEU A 11 7.877 -19.320 -4.714 1.00 10.00 H new ATOM 0 HB3 LEU A 11 6.744 -18.546 -3.624 1.00 10.00 H new ATOM 0 HG LEU A 11 7.265 -17.899 -6.537 1.00 10.00 H new ATOM 0 HD11 LEU A 11 4.784 -18.358 -6.637 1.00 10.00 H new ATOM 0 HD12 LEU A 11 5.664 -19.743 -5.948 1.00 10.00 H new ATOM 0 HD13 LEU A 11 4.781 -18.628 -4.878 1.00 10.00 H new ATOM 0 HD21 LEU A 11 5.645 -16.063 -6.382 1.00 10.00 H new ATOM 0 HD22 LEU A 11 5.582 -16.265 -4.614 1.00 10.00 H new ATOM 0 HD23 LEU A 11 7.094 -15.750 -5.398 1.00 10.00 H new ATOM 184 N GLU A 12 9.194 -17.040 -1.671 1.00 10.00 N ATOM 185 CA GLU A 12 9.712 -17.340 -0.345 1.00 10.00 C ATOM 186 C GLU A 12 8.569 -17.190 0.652 1.00 10.00 C ATOM 187 O GLU A 12 7.677 -16.362 0.453 1.00 10.00 O ATOM 188 CB GLU A 12 10.876 -16.409 0.007 1.00 10.00 C ATOM 189 CG GLU A 12 12.081 -16.662 -0.912 1.00 10.00 C ATOM 190 CD GLU A 12 13.317 -15.849 -0.530 1.00 10.00 C ATOM 191 OE1 GLU A 12 13.246 -15.124 0.487 1.00 10.00 O ATOM 192 OE2 GLU A 12 14.316 -15.966 -1.272 1.00 10.00 O ATOM 0 H GLU A 12 8.848 -16.084 -1.758 1.00 10.00 H new ATOM 0 HA GLU A 12 10.098 -18.359 -0.314 1.00 10.00 H new ATOM 0 HB2 GLU A 12 10.556 -15.371 -0.084 1.00 10.00 H new ATOM 0 HB3 GLU A 12 11.168 -16.563 1.046 1.00 10.00 H new ATOM 0 HG2 GLU A 12 12.331 -17.723 -0.887 1.00 10.00 H new ATOM 0 HG3 GLU A 12 11.802 -16.424 -1.938 1.00 10.00 H new ATOM 199 N GLU A 13 8.591 -18.008 1.708 1.00 10.00 N ATOM 200 CA GLU A 13 7.554 -17.991 2.720 1.00 10.00 C ATOM 201 C GLU A 13 7.500 -16.632 3.415 1.00 10.00 C ATOM 202 O GLU A 13 8.534 -16.051 3.745 1.00 10.00 O ATOM 203 CB GLU A 13 7.746 -19.145 3.719 1.00 10.00 C ATOM 204 CG GLU A 13 8.921 -18.988 4.693 1.00 10.00 C ATOM 205 CD GLU A 13 8.943 -20.139 5.695 1.00 10.00 C ATOM 206 OE1 GLU A 13 8.118 -20.085 6.634 1.00 10.00 O ATOM 207 OE2 GLU A 13 9.769 -21.056 5.497 1.00 10.00 O ATOM 0 H GLU A 13 9.327 -18.693 1.877 1.00 10.00 H new ATOM 0 HA GLU A 13 6.590 -18.144 2.234 1.00 10.00 H new ATOM 0 HB2 GLU A 13 6.829 -19.257 4.298 1.00 10.00 H new ATOM 0 HB3 GLU A 13 7.883 -20.069 3.158 1.00 10.00 H new ATOM 0 HG2 GLU A 13 9.859 -18.963 4.139 1.00 10.00 H new ATOM 0 HG3 GLU A 13 8.838 -18.039 5.222 1.00 10.00 H new ATOM 214 N CYS A 14 6.294 -16.129 3.662 1.00 10.00 N ATOM 215 CA CYS A 14 6.122 -14.886 4.380 1.00 10.00 C ATOM 216 C CYS A 14 6.372 -15.184 5.859 1.00 10.00 C ATOM 217 O CYS A 14 5.501 -15.715 6.553 1.00 10.00 O ATOM 218 CB CYS A 14 4.718 -14.351 4.128 1.00 10.00 C ATOM 219 SG CYS A 14 4.345 -12.808 4.989 1.00 10.00 S ATOM 0 H CYS A 14 5.422 -16.571 3.371 1.00 10.00 H new ATOM 0 HA CYS A 14 6.820 -14.118 4.047 1.00 10.00 H new ATOM 0 HB2 CYS A 14 4.588 -14.196 3.057 1.00 10.00 H new ATOM 0 HB3 CYS A 14 3.994 -15.107 4.432 1.00 10.00 H new ATOM 224 N ASP A 15 7.578 -14.854 6.327 1.00 10.00 N ATOM 225 CA ASP A 15 8.044 -15.059 7.695 1.00 10.00 C ATOM 226 C ASP A 15 7.010 -14.587 8.718 1.00 10.00 C ATOM 227 O ASP A 15 6.738 -15.282 9.691 1.00 10.00 O ATOM 228 CB ASP A 15 9.396 -14.357 7.899 1.00 10.00 C ATOM 229 CG ASP A 15 9.299 -12.831 7.847 1.00 10.00 C ATOM 230 OD1 ASP A 15 8.781 -12.326 6.824 1.00 10.00 O ATOM 231 OD2 ASP A 15 9.718 -12.197 8.838 1.00 10.00 O ATOM 0 H ASP A 15 8.285 -14.418 5.735 1.00 10.00 H new ATOM 0 HA ASP A 15 8.181 -16.128 7.855 1.00 10.00 H new ATOM 0 HB2 ASP A 15 9.811 -14.655 8.862 1.00 10.00 H new ATOM 0 HB3 ASP A 15 10.093 -14.696 7.133 1.00 10.00 H new ATOM 236 N VAL A 16 6.414 -13.418 8.469 1.00 10.00 N ATOM 237 CA VAL A 16 5.398 -12.795 9.309 1.00 10.00 C ATOM 238 C VAL A 16 4.250 -13.759 9.655 1.00 10.00 C ATOM 239 O VAL A 16 3.663 -13.635 10.728 1.00 10.00 O ATOM 240 CB VAL A 16 4.934 -11.495 8.623 1.00 10.00 C ATOM 241 CG1 VAL A 16 3.793 -10.793 9.359 1.00 10.00 C ATOM 242 CG2 VAL A 16 6.102 -10.500 8.542 1.00 10.00 C ATOM 0 H VAL A 16 6.637 -12.861 7.644 1.00 10.00 H new ATOM 0 HA VAL A 16 5.825 -12.539 10.279 1.00 10.00 H new ATOM 0 HB VAL A 16 4.579 -11.792 7.636 1.00 10.00 H new ATOM 0 HG11 VAL A 16 3.517 -9.886 8.821 1.00 10.00 H new ATOM 0 HG12 VAL A 16 2.932 -11.459 9.414 1.00 10.00 H new ATOM 0 HG13 VAL A 16 4.116 -10.533 10.367 1.00 10.00 H new ATOM 0 HG21 VAL A 16 5.766 -9.584 8.056 1.00 10.00 H new ATOM 0 HG22 VAL A 16 6.454 -10.269 9.548 1.00 10.00 H new ATOM 0 HG23 VAL A 16 6.915 -10.940 7.965 1.00 10.00 H new ATOM 252 N CYS A 17 3.947 -14.726 8.782 1.00 10.00 N ATOM 253 CA CYS A 17 2.928 -15.747 9.020 1.00 10.00 C ATOM 254 C CYS A 17 3.517 -17.154 8.854 1.00 10.00 C ATOM 255 O CYS A 17 2.780 -18.113 8.621 1.00 10.00 O ATOM 256 CB CYS A 17 1.770 -15.530 8.052 1.00 10.00 C ATOM 257 SG CYS A 17 2.201 -15.600 6.307 1.00 10.00 S ATOM 0 H CYS A 17 4.411 -14.820 7.878 1.00 10.00 H new ATOM 0 HA CYS A 17 2.565 -15.661 10.044 1.00 10.00 H new ATOM 0 HB2 CYS A 17 1.006 -16.282 8.251 1.00 10.00 H new ATOM 0 HB3 CYS A 17 1.322 -14.558 8.260 1.00 10.00 H new ATOM 262 N HIS A 18 4.846 -17.279 8.938 1.00 10.00 N ATOM 263 CA HIS A 18 5.588 -18.519 8.762 1.00 10.00 C ATOM 264 C HIS A 18 5.085 -19.302 7.540 1.00 10.00 C ATOM 265 O HIS A 18 4.929 -20.522 7.580 1.00 10.00 O ATOM 266 CB HIS A 18 5.576 -19.325 10.072 1.00 10.00 C ATOM 267 CG HIS A 18 6.669 -20.365 10.151 1.00 10.00 C ATOM 268 ND1 HIS A 18 6.933 -21.329 9.207 1.00 10.00 N ATOM 269 CD2 HIS A 18 7.609 -20.489 11.139 1.00 10.00 C ATOM 270 CE1 HIS A 18 8.011 -22.018 9.615 1.00 10.00 C ATOM 271 NE2 HIS A 18 8.458 -21.545 10.791 1.00 10.00 N ATOM 0 H HIS A 18 5.452 -16.484 9.139 1.00 10.00 H new ATOM 0 HA HIS A 18 6.632 -18.294 8.543 1.00 10.00 H new ATOM 0 HB2 HIS A 18 5.678 -18.638 10.912 1.00 10.00 H new ATOM 0 HB3 HIS A 18 4.609 -19.817 10.177 1.00 10.00 H new ATOM 0 HD1 HIS A 18 6.405 -21.492 8.350 1.00 10.00 H new ATOM 0 HD2 HIS A 18 7.682 -19.880 12.028 1.00 10.00 H new ATOM 0 HE1 HIS A 18 8.457 -22.839 9.073 1.00 10.00 H new ATOM 279 N GLY A 19 4.825 -18.598 6.435 1.00 10.00 N ATOM 280 CA GLY A 19 4.384 -19.235 5.203 1.00 10.00 C ATOM 281 C GLY A 19 2.901 -19.600 5.126 1.00 10.00 C ATOM 282 O GLY A 19 2.438 -19.957 4.045 1.00 10.00 O ATOM 0 H GLY A 19 4.914 -17.584 6.374 1.00 10.00 H new ATOM 0 HA2 GLY A 19 4.617 -18.570 4.371 1.00 10.00 H new ATOM 0 HA3 GLY A 19 4.969 -20.144 5.059 1.00 10.00 H new ATOM 286 N SER A 20 2.138 -19.542 6.226 1.00 10.00 N ATOM 287 CA SER A 20 0.735 -19.940 6.172 1.00 10.00 C ATOM 288 C SER A 20 -0.087 -18.926 5.377 1.00 10.00 C ATOM 289 O SER A 20 -0.615 -19.215 4.309 1.00 10.00 O ATOM 290 CB SER A 20 0.153 -20.121 7.585 1.00 10.00 C ATOM 291 OG SER A 20 0.201 -18.922 8.344 1.00 10.00 O ATOM 0 H SER A 20 2.463 -19.230 7.141 1.00 10.00 H new ATOM 0 HA SER A 20 0.682 -20.901 5.661 1.00 10.00 H new ATOM 0 HB2 SER A 20 -0.880 -20.460 7.510 1.00 10.00 H new ATOM 0 HB3 SER A 20 0.707 -20.901 8.107 1.00 10.00 H new ATOM 0 HG SER A 20 1.135 -18.686 8.525 1.00 10.00 H new ATOM 297 N GLY A 21 -0.219 -17.747 5.970 1.00 10.00 N ATOM 298 CA GLY A 21 -1.042 -16.640 5.529 1.00 10.00 C ATOM 299 C GLY A 21 -1.846 -16.104 6.719 1.00 10.00 C ATOM 300 O GLY A 21 -2.524 -15.093 6.579 1.00 10.00 O ATOM 0 H GLY A 21 0.283 -17.529 6.831 1.00 10.00 H new ATOM 0 HA2 GLY A 21 -0.417 -15.850 5.112 1.00 10.00 H new ATOM 0 HA3 GLY A 21 -1.716 -16.965 4.736 1.00 10.00 H new ATOM 304 N ALA A 22 -1.774 -16.759 7.888 1.00 10.00 N ATOM 305 CA ALA A 22 -2.463 -16.329 9.095 1.00 10.00 C ATOM 306 C ALA A 22 -1.669 -15.194 9.750 1.00 10.00 C ATOM 307 O ALA A 22 -0.455 -15.302 9.886 1.00 10.00 O ATOM 308 CB ALA A 22 -2.592 -17.529 10.032 1.00 10.00 C ATOM 0 H ALA A 22 -1.227 -17.611 8.014 1.00 10.00 H new ATOM 0 HA ALA A 22 -3.460 -15.955 8.863 1.00 10.00 H new ATOM 0 HB1 ALA A 22 -3.107 -17.225 10.944 1.00 10.00 H new ATOM 0 HB2 ALA A 22 -3.162 -18.316 9.539 1.00 10.00 H new ATOM 0 HB3 ALA A 22 -1.599 -17.903 10.283 1.00 10.00 H new ATOM 314 N LYS A 23 -2.323 -14.090 10.117 1.00 10.00 N ATOM 315 CA LYS A 23 -1.650 -12.930 10.699 1.00 10.00 C ATOM 316 C LYS A 23 -0.805 -13.293 11.943 1.00 10.00 C ATOM 317 O LYS A 23 -1.035 -14.334 12.562 1.00 10.00 O ATOM 318 CB LYS A 23 -2.672 -11.807 10.947 1.00 10.00 C ATOM 319 CG LYS A 23 -3.512 -12.029 12.211 1.00 10.00 C ATOM 320 CD LYS A 23 -4.643 -11.002 12.350 1.00 10.00 C ATOM 321 CE LYS A 23 -4.113 -9.589 12.615 1.00 10.00 C ATOM 322 NZ LYS A 23 -5.213 -8.647 12.885 1.00 10.00 N ATOM 0 H LYS A 23 -3.332 -13.976 10.019 1.00 10.00 H new ATOM 0 HA LYS A 23 -0.920 -12.553 9.983 1.00 10.00 H new ATOM 0 HB2 LYS A 23 -2.146 -10.856 11.030 1.00 10.00 H new ATOM 0 HB3 LYS A 23 -3.335 -11.730 10.085 1.00 10.00 H new ATOM 0 HG2 LYS A 23 -3.937 -13.033 12.190 1.00 10.00 H new ATOM 0 HG3 LYS A 23 -2.866 -11.975 13.087 1.00 10.00 H new ATOM 0 HD2 LYS A 23 -5.242 -10.999 11.439 1.00 10.00 H new ATOM 0 HD3 LYS A 23 -5.303 -11.299 13.165 1.00 10.00 H new ATOM 0 HE2 LYS A 23 -3.430 -9.608 13.465 1.00 10.00 H new ATOM 0 HE3 LYS A 23 -3.540 -9.246 11.754 1.00 10.00 H new ATOM 0 HZ1 LYS A 23 -4.823 -7.699 13.061 1.00 10.00 H new ATOM 0 HZ2 LYS A 23 -5.850 -8.613 12.064 1.00 10.00 H new ATOM 0 HZ3 LYS A 23 -5.744 -8.963 13.722 1.00 10.00 H new ATOM 336 N PRO A 24 0.178 -12.453 12.325 1.00 10.00 N ATOM 337 CA PRO A 24 1.064 -12.697 13.455 1.00 10.00 C ATOM 338 C PRO A 24 0.371 -13.244 14.703 1.00 10.00 C ATOM 339 O PRO A 24 -0.711 -12.790 15.080 1.00 10.00 O ATOM 340 CB PRO A 24 1.740 -11.358 13.744 1.00 10.00 C ATOM 341 CG PRO A 24 1.871 -10.786 12.339 1.00 10.00 C ATOM 342 CD PRO A 24 0.550 -11.197 11.689 1.00 10.00 C ATOM 0 HA PRO A 24 1.773 -13.482 13.192 1.00 10.00 H new ATOM 0 HB2 PRO A 24 1.136 -10.723 14.392 1.00 10.00 H new ATOM 0 HB3 PRO A 24 2.708 -11.482 14.230 1.00 10.00 H new ATOM 0 HG2 PRO A 24 1.997 -9.703 12.352 1.00 10.00 H new ATOM 0 HG3 PRO A 24 2.729 -11.201 11.811 1.00 10.00 H new ATOM 0 HD2 PRO A 24 -0.216 -10.437 11.843 1.00 10.00 H new ATOM 0 HD3 PRO A 24 0.664 -11.321 10.612 1.00 10.00 H new ATOM 350 N GLY A 25 1.012 -14.231 15.337 1.00 10.00 N ATOM 351 CA GLY A 25 0.544 -14.878 16.554 1.00 10.00 C ATOM 352 C GLY A 25 -0.878 -15.432 16.461 1.00 10.00 C ATOM 353 O GLY A 25 -1.497 -15.667 17.496 1.00 10.00 O ATOM 0 H GLY A 25 1.898 -14.609 15.002 1.00 10.00 H new ATOM 0 HA2 GLY A 25 1.224 -15.693 16.804 1.00 10.00 H new ATOM 0 HA3 GLY A 25 0.590 -14.161 17.374 1.00 10.00 H new ATOM 357 N THR A 26 -1.398 -15.643 15.248 1.00 10.00 N ATOM 358 CA THR A 26 -2.741 -16.143 15.025 1.00 10.00 C ATOM 359 C THR A 26 -2.645 -17.351 14.100 1.00 10.00 C ATOM 360 O THR A 26 -1.900 -17.339 13.125 1.00 10.00 O ATOM 361 CB THR A 26 -3.590 -15.016 14.422 1.00 10.00 C ATOM 362 OG1 THR A 26 -3.371 -13.797 15.110 1.00 10.00 O ATOM 363 CG2 THR A 26 -5.084 -15.345 14.490 1.00 10.00 C ATOM 0 H THR A 26 -0.883 -15.466 14.386 1.00 10.00 H new ATOM 0 HA THR A 26 -3.219 -16.458 15.953 1.00 10.00 H new ATOM 0 HB THR A 26 -3.288 -14.916 13.380 1.00 10.00 H new ATOM 0 HG1 THR A 26 -2.467 -13.471 14.919 1.00 10.00 H new ATOM 0 HG21 THR A 26 -5.657 -14.526 14.055 1.00 10.00 H new ATOM 0 HG22 THR A 26 -5.280 -16.261 13.934 1.00 10.00 H new ATOM 0 HG23 THR A 26 -5.379 -15.482 15.530 1.00 10.00 H new ATOM 371 N GLN A 27 -3.386 -18.409 14.428 1.00 10.00 N ATOM 372 CA GLN A 27 -3.415 -19.650 13.672 1.00 10.00 C ATOM 373 C GLN A 27 -4.522 -19.602 12.612 1.00 10.00 C ATOM 374 O GLN A 27 -5.582 -19.020 12.873 1.00 10.00 O ATOM 375 CB GLN A 27 -3.591 -20.834 14.641 1.00 10.00 C ATOM 376 CG GLN A 27 -5.001 -21.055 15.221 1.00 10.00 C ATOM 377 CD GLN A 27 -5.492 -19.959 16.164 1.00 10.00 C ATOM 378 OE1 GLN A 27 -5.373 -20.076 17.377 1.00 10.00 O ATOM 379 NE2 GLN A 27 -6.048 -18.879 15.622 1.00 10.00 N ATOM 0 H GLN A 27 -3.995 -18.422 15.246 1.00 10.00 H new ATOM 0 HA GLN A 27 -2.472 -19.784 13.143 1.00 10.00 H new ATOM 0 HB2 GLN A 27 -3.291 -21.745 14.122 1.00 10.00 H new ATOM 0 HB3 GLN A 27 -2.899 -20.698 15.472 1.00 10.00 H new ATOM 0 HG2 GLN A 27 -5.707 -21.145 14.395 1.00 10.00 H new ATOM 0 HG3 GLN A 27 -5.012 -22.005 15.756 1.00 10.00 H new ATOM 0 HE21 GLN A 27 -6.136 -18.805 14.609 1.00 10.00 H new ATOM 0 HE22 GLN A 27 -6.386 -18.125 16.220 1.00 10.00 H new ATOM 388 N PRO A 28 -4.332 -20.227 11.439 1.00 10.00 N ATOM 389 CA PRO A 28 -5.390 -20.304 10.452 1.00 10.00 C ATOM 390 C PRO A 28 -6.466 -21.226 11.027 1.00 10.00 C ATOM 391 O PRO A 28 -6.191 -22.026 11.921 1.00 10.00 O ATOM 392 CB PRO A 28 -4.746 -20.884 9.199 1.00 10.00 C ATOM 393 CG PRO A 28 -3.632 -21.763 9.767 1.00 10.00 C ATOM 394 CD PRO A 28 -3.171 -20.989 11.005 1.00 10.00 C ATOM 0 HA PRO A 28 -5.852 -19.347 10.211 1.00 10.00 H new ATOM 0 HB2 PRO A 28 -5.457 -21.463 8.610 1.00 10.00 H new ATOM 0 HB3 PRO A 28 -4.353 -20.103 8.548 1.00 10.00 H new ATOM 0 HG2 PRO A 28 -3.996 -22.757 10.026 1.00 10.00 H new ATOM 0 HG3 PRO A 28 -2.821 -21.898 9.051 1.00 10.00 H new ATOM 0 HD2 PRO A 28 -2.831 -21.667 11.788 1.00 10.00 H new ATOM 0 HD3 PRO A 28 -2.335 -20.331 10.768 1.00 10.00 H new ATOM 402 N GLN A 29 -7.697 -21.112 10.538 1.00 10.00 N ATOM 403 CA GLN A 29 -8.790 -21.898 11.082 1.00 10.00 C ATOM 404 C GLN A 29 -8.890 -23.220 10.322 1.00 10.00 C ATOM 405 O GLN A 29 -9.171 -23.219 9.128 1.00 10.00 O ATOM 406 CB GLN A 29 -10.077 -21.066 11.036 1.00 10.00 C ATOM 407 CG GLN A 29 -9.904 -19.709 11.742 1.00 10.00 C ATOM 408 CD GLN A 29 -9.543 -19.849 13.220 1.00 10.00 C ATOM 409 OE1 GLN A 29 -10.411 -20.116 14.042 1.00 10.00 O ATOM 410 NE2 GLN A 29 -8.274 -19.672 13.588 1.00 10.00 N ATOM 0 H GLN A 29 -7.957 -20.489 9.774 1.00 10.00 H new ATOM 0 HA GLN A 29 -8.614 -22.152 12.127 1.00 10.00 H new ATOM 0 HB2 GLN A 29 -10.367 -20.902 9.998 1.00 10.00 H new ATOM 0 HB3 GLN A 29 -10.887 -21.622 11.509 1.00 10.00 H new ATOM 0 HG2 GLN A 29 -9.125 -19.138 11.236 1.00 10.00 H new ATOM 0 HG3 GLN A 29 -10.828 -19.138 11.651 1.00 10.00 H new ATOM 0 HE21 GLN A 29 -7.566 -19.450 12.888 1.00 10.00 H new ATOM 0 HE22 GLN A 29 -8.011 -19.758 14.570 1.00 10.00 H new ATOM 419 N THR A 30 -8.628 -24.343 10.996 1.00 10.00 N ATOM 420 CA THR A 30 -8.690 -25.678 10.423 1.00 10.00 C ATOM 421 C THR A 30 -9.998 -25.852 9.652 1.00 10.00 C ATOM 422 O THR A 30 -11.065 -25.655 10.229 1.00 10.00 O ATOM 423 CB THR A 30 -8.619 -26.686 11.578 1.00 10.00 C ATOM 424 OG1 THR A 30 -7.679 -26.220 12.529 1.00 10.00 O ATOM 425 CG2 THR A 30 -8.209 -28.073 11.078 1.00 10.00 C ATOM 0 H THR A 30 -8.361 -24.342 11.980 1.00 10.00 H new ATOM 0 HA THR A 30 -7.863 -25.837 9.731 1.00 10.00 H new ATOM 0 HB THR A 30 -9.606 -26.775 12.032 1.00 10.00 H new ATOM 0 HG1 THR A 30 -8.152 -25.804 13.280 1.00 10.00 H new ATOM 0 HG21 THR A 30 -8.167 -28.765 11.919 1.00 10.00 H new ATOM 0 HG22 THR A 30 -8.940 -28.428 10.351 1.00 10.00 H new ATOM 0 HG23 THR A 30 -7.228 -28.015 10.607 1.00 10.00 H new ATOM 433 N CYS A 31 -9.940 -26.214 8.368 1.00 10.00 N ATOM 434 CA CYS A 31 -11.151 -26.388 7.582 1.00 10.00 C ATOM 435 C CYS A 31 -11.972 -27.538 8.176 1.00 10.00 C ATOM 436 O CYS A 31 -11.502 -28.680 8.159 1.00 10.00 O ATOM 437 CB CYS A 31 -10.805 -26.671 6.122 1.00 10.00 C ATOM 438 SG CYS A 31 -12.269 -26.756 5.053 1.00 10.00 S ATOM 0 H CYS A 31 -9.073 -26.390 7.860 1.00 10.00 H new ATOM 0 HA CYS A 31 -11.740 -25.471 7.614 1.00 10.00 H new ATOM 0 HB2 CYS A 31 -10.138 -25.892 5.754 1.00 10.00 H new ATOM 0 HB3 CYS A 31 -10.260 -27.613 6.059 1.00 10.00 H new ATOM 443 N PRO A 32 -13.179 -27.280 8.704 1.00 10.00 N ATOM 444 CA PRO A 32 -13.976 -28.316 9.332 1.00 10.00 C ATOM 445 C PRO A 32 -14.513 -29.292 8.288 1.00 10.00 C ATOM 446 O PRO A 32 -14.561 -30.492 8.546 1.00 10.00 O ATOM 447 CB PRO A 32 -15.074 -27.573 10.092 1.00 10.00 C ATOM 448 CG PRO A 32 -15.280 -26.304 9.266 1.00 10.00 C ATOM 449 CD PRO A 32 -13.870 -25.997 8.758 1.00 10.00 C ATOM 0 HA PRO A 32 -13.400 -28.937 10.018 1.00 10.00 H new ATOM 0 HB2 PRO A 32 -15.988 -28.163 10.156 1.00 10.00 H new ATOM 0 HB3 PRO A 32 -14.771 -27.343 11.113 1.00 10.00 H new ATOM 0 HG2 PRO A 32 -15.979 -26.465 8.446 1.00 10.00 H new ATOM 0 HG3 PRO A 32 -15.679 -25.489 9.870 1.00 10.00 H new ATOM 0 HD2 PRO A 32 -13.902 -25.529 7.774 1.00 10.00 H new ATOM 0 HD3 PRO A 32 -13.356 -25.304 9.424 1.00 10.00 H new ATOM 457 N THR A 33 -14.884 -28.795 7.104 1.00 10.00 N ATOM 458 CA THR A 33 -15.417 -29.565 5.989 1.00 10.00 C ATOM 459 C THR A 33 -14.621 -30.846 5.716 1.00 10.00 C ATOM 460 O THR A 33 -15.209 -31.883 5.422 1.00 10.00 O ATOM 461 CB THR A 33 -15.431 -28.648 4.758 1.00 10.00 C ATOM 462 OG1 THR A 33 -15.712 -27.324 5.176 1.00 10.00 O ATOM 463 CG2 THR A 33 -16.459 -29.092 3.717 1.00 10.00 C ATOM 0 H THR A 33 -14.816 -27.799 6.893 1.00 10.00 H new ATOM 0 HA THR A 33 -16.425 -29.899 6.235 1.00 10.00 H new ATOM 0 HB THR A 33 -14.451 -28.701 4.285 1.00 10.00 H new ATOM 0 HG1 THR A 33 -14.879 -26.808 5.210 1.00 10.00 H new ATOM 0 HG21 THR A 33 -16.431 -28.412 2.865 1.00 10.00 H new ATOM 0 HG22 THR A 33 -16.225 -30.103 3.383 1.00 10.00 H new ATOM 0 HG23 THR A 33 -17.455 -29.078 4.160 1.00 10.00 H new ATOM 471 N CYS A 34 -13.288 -30.770 5.816 1.00 10.00 N ATOM 472 CA CYS A 34 -12.395 -31.905 5.607 1.00 10.00 C ATOM 473 C CYS A 34 -11.660 -32.290 6.893 1.00 10.00 C ATOM 474 O CYS A 34 -10.694 -33.049 6.839 1.00 10.00 O ATOM 475 CB CYS A 34 -11.417 -31.578 4.475 1.00 10.00 C ATOM 476 SG CYS A 34 -10.511 -30.021 4.617 1.00 10.00 S ATOM 0 H CYS A 34 -12.798 -29.906 6.047 1.00 10.00 H new ATOM 0 HA CYS A 34 -12.990 -32.773 5.321 1.00 10.00 H new ATOM 0 HB2 CYS A 34 -10.692 -32.389 4.405 1.00 10.00 H new ATOM 0 HB3 CYS A 34 -11.972 -31.565 3.537 1.00 10.00 H new ATOM 481 N HIS A 35 -12.082 -31.766 8.049 1.00 10.00 N ATOM 482 CA HIS A 35 -11.440 -32.008 9.339 1.00 10.00 C ATOM 483 C HIS A 35 -9.928 -31.761 9.225 1.00 10.00 C ATOM 484 O HIS A 35 -9.123 -32.537 9.729 1.00 10.00 O ATOM 485 CB HIS A 35 -11.738 -33.435 9.840 1.00 10.00 C ATOM 486 CG HIS A 35 -13.194 -33.816 9.960 1.00 10.00 C ATOM 487 ND1 HIS A 35 -14.291 -33.024 9.704 1.00 10.00 N ATOM 488 CD2 HIS A 35 -13.662 -35.044 10.347 1.00 10.00 C ATOM 489 CE1 HIS A 35 -15.390 -33.763 9.928 1.00 10.00 C ATOM 490 NE2 HIS A 35 -15.059 -35.001 10.325 1.00 10.00 N ATOM 0 H HIS A 35 -12.894 -31.152 8.112 1.00 10.00 H new ATOM 0 HA HIS A 35 -11.848 -31.313 10.073 1.00 10.00 H new ATOM 0 HB2 HIS A 35 -11.255 -34.141 9.165 1.00 10.00 H new ATOM 0 HB3 HIS A 35 -11.271 -33.558 10.817 1.00 10.00 H new ATOM 0 HD1 HIS A 35 -14.272 -32.051 9.399 1.00 10.00 H new ATOM 0 HD2 HIS A 35 -13.058 -35.896 10.621 1.00 10.00 H new ATOM 0 HE1 HIS A 35 -16.403 -33.409 9.805 1.00 10.00 H new ATOM 498 N GLY A 36 -9.532 -30.694 8.523 1.00 10.00 N ATOM 499 CA GLY A 36 -8.128 -30.364 8.304 1.00 10.00 C ATOM 500 C GLY A 36 -7.394 -31.286 7.316 1.00 10.00 C ATOM 501 O GLY A 36 -6.262 -30.990 6.948 1.00 10.00 O ATOM 0 H GLY A 36 -10.181 -30.036 8.091 1.00 10.00 H new ATOM 0 HA2 GLY A 36 -8.063 -29.339 7.939 1.00 10.00 H new ATOM 0 HA3 GLY A 36 -7.609 -30.395 9.262 1.00 10.00 H new ATOM 505 N SER A 37 -8.007 -32.384 6.860 1.00 10.00 N ATOM 506 CA SER A 37 -7.393 -33.356 5.954 1.00 10.00 C ATOM 507 C SER A 37 -7.137 -32.814 4.542 1.00 10.00 C ATOM 508 O SER A 37 -6.517 -33.493 3.724 1.00 10.00 O ATOM 509 CB SER A 37 -8.270 -34.613 5.873 1.00 10.00 C ATOM 510 OG SER A 37 -8.766 -34.968 7.149 1.00 10.00 O ATOM 0 H SER A 37 -8.964 -32.625 7.117 1.00 10.00 H new ATOM 0 HA SER A 37 -6.415 -33.591 6.374 1.00 10.00 H new ATOM 0 HB2 SER A 37 -9.102 -34.437 5.192 1.00 10.00 H new ATOM 0 HB3 SER A 37 -7.690 -35.439 5.461 1.00 10.00 H new ATOM 0 HG SER A 37 -9.595 -34.477 7.326 1.00 10.00 H new ATOM 516 N GLY A 38 -7.652 -31.620 4.231 1.00 10.00 N ATOM 517 CA GLY A 38 -7.497 -30.969 2.935 1.00 10.00 C ATOM 518 C GLY A 38 -8.196 -31.706 1.789 1.00 10.00 C ATOM 519 O GLY A 38 -7.988 -31.368 0.626 1.00 10.00 O ATOM 0 H GLY A 38 -8.200 -31.070 4.892 1.00 10.00 H new ATOM 0 HA2 GLY A 38 -7.892 -29.955 2.998 1.00 10.00 H new ATOM 0 HA3 GLY A 38 -6.435 -30.883 2.706 1.00 10.00 H new ATOM 523 N GLN A 39 -9.041 -32.695 2.089 1.00 10.00 N ATOM 524 CA GLN A 39 -9.727 -33.485 1.083 1.00 10.00 C ATOM 525 C GLN A 39 -11.121 -33.869 1.568 1.00 10.00 C ATOM 526 O GLN A 39 -11.313 -34.150 2.749 1.00 10.00 O ATOM 527 CB GLN A 39 -8.869 -34.707 0.729 1.00 10.00 C ATOM 528 CG GLN A 39 -8.692 -35.667 1.914 1.00 10.00 C ATOM 529 CD GLN A 39 -7.406 -36.472 1.781 1.00 10.00 C ATOM 530 OE1 GLN A 39 -7.409 -37.577 1.251 1.00 10.00 O ATOM 531 NE2 GLN A 39 -6.295 -35.921 2.264 1.00 10.00 N ATOM 0 H GLN A 39 -9.265 -32.966 3.046 1.00 10.00 H new ATOM 0 HA GLN A 39 -9.864 -32.898 0.175 1.00 10.00 H new ATOM 0 HB2 GLN A 39 -9.330 -35.242 -0.101 1.00 10.00 H new ATOM 0 HB3 GLN A 39 -7.889 -34.372 0.388 1.00 10.00 H new ATOM 0 HG2 GLN A 39 -8.675 -35.101 2.845 1.00 10.00 H new ATOM 0 HG3 GLN A 39 -9.544 -36.344 1.968 1.00 10.00 H new ATOM 0 HE21 GLN A 39 -6.330 -34.999 2.699 1.00 10.00 H new ATOM 0 HE22 GLN A 39 -5.408 -36.421 2.199 1.00 10.00 H new ATOM 540 N VAL A 40 -12.071 -33.889 0.640 1.00 10.00 N ATOM 541 CA VAL A 40 -13.457 -34.275 0.842 1.00 10.00 C ATOM 542 C VAL A 40 -13.612 -35.704 0.344 1.00 10.00 C ATOM 543 O VAL A 40 -12.902 -36.086 -0.586 1.00 10.00 O ATOM 544 CB VAL A 40 -14.384 -33.367 0.014 1.00 10.00 C ATOM 545 CG1 VAL A 40 -14.585 -32.020 0.703 1.00 10.00 C ATOM 546 CG2 VAL A 40 -13.874 -33.146 -1.421 1.00 10.00 C ATOM 0 H VAL A 40 -11.881 -33.621 -0.326 1.00 10.00 H new ATOM 0 HA VAL A 40 -13.719 -34.187 1.896 1.00 10.00 H new ATOM 0 HB VAL A 40 -15.340 -33.887 -0.054 1.00 10.00 H new ATOM 0 HG11 VAL A 40 -15.244 -31.397 0.098 1.00 10.00 H new ATOM 0 HG12 VAL A 40 -15.033 -32.176 1.684 1.00 10.00 H new ATOM 0 HG13 VAL A 40 -13.622 -31.524 0.819 1.00 10.00 H new ATOM 0 HG21 VAL A 40 -14.567 -32.498 -1.958 1.00 10.00 H new ATOM 0 HG22 VAL A 40 -12.890 -32.678 -1.389 1.00 10.00 H new ATOM 0 HG23 VAL A 40 -13.803 -34.105 -1.934 1.00 10.00 H new ATOM 556 N GLN A 41 -14.563 -36.457 0.910 1.00 10.00 N ATOM 557 CA GLN A 41 -14.906 -37.796 0.461 1.00 10.00 C ATOM 558 C GLN A 41 -16.407 -37.826 0.181 1.00 10.00 C ATOM 559 O GLN A 41 -17.207 -37.599 1.085 1.00 10.00 O ATOM 560 CB GLN A 41 -14.480 -38.870 1.468 1.00 10.00 C ATOM 561 CG GLN A 41 -14.591 -40.260 0.818 1.00 10.00 C ATOM 562 CD GLN A 41 -14.358 -41.387 1.816 1.00 10.00 C ATOM 563 OE1 GLN A 41 -15.236 -42.209 2.048 1.00 10.00 O ATOM 564 NE2 GLN A 41 -13.170 -41.441 2.411 1.00 10.00 N ATOM 0 H GLN A 41 -15.120 -36.141 1.704 1.00 10.00 H new ATOM 0 HA GLN A 41 -14.359 -38.030 -0.452 1.00 10.00 H new ATOM 0 HB2 GLN A 41 -13.456 -38.691 1.794 1.00 10.00 H new ATOM 0 HB3 GLN A 41 -15.111 -38.821 2.356 1.00 10.00 H new ATOM 0 HG2 GLN A 41 -15.579 -40.372 0.372 1.00 10.00 H new ATOM 0 HG3 GLN A 41 -13.865 -40.339 0.009 1.00 10.00 H new ATOM 0 HE21 GLN A 41 -12.460 -40.741 2.196 1.00 10.00 H new ATOM 0 HE22 GLN A 41 -12.969 -42.182 3.082 1.00 10.00 H new ATOM 573 N MET A 42 -16.776 -38.107 -1.069 1.00 10.00 N ATOM 574 CA MET A 42 -18.150 -38.221 -1.523 1.00 10.00 C ATOM 575 C MET A 42 -18.483 -39.704 -1.695 1.00 10.00 C ATOM 576 O MET A 42 -17.827 -40.406 -2.469 1.00 10.00 O ATOM 577 CB MET A 42 -18.328 -37.452 -2.838 1.00 10.00 C ATOM 578 CG MET A 42 -18.275 -35.938 -2.597 1.00 10.00 C ATOM 579 SD MET A 42 -18.338 -34.895 -4.078 1.00 10.00 S ATOM 580 CE MET A 42 -19.951 -35.345 -4.757 1.00 10.00 C ATOM 0 H MET A 42 -16.098 -38.266 -1.814 1.00 10.00 H new ATOM 0 HA MET A 42 -18.832 -37.787 -0.792 1.00 10.00 H new ATOM 0 HB2 MET A 42 -17.547 -37.740 -3.541 1.00 10.00 H new ATOM 0 HB3 MET A 42 -19.281 -37.719 -3.294 1.00 10.00 H new ATOM 0 HG2 MET A 42 -19.107 -35.664 -1.948 1.00 10.00 H new ATOM 0 HG3 MET A 42 -17.358 -35.708 -2.054 1.00 10.00 H new ATOM 0 HE1 MET A 42 -20.193 -34.684 -5.589 1.00 10.00 H new ATOM 0 HE2 MET A 42 -19.923 -36.376 -5.109 1.00 10.00 H new ATOM 0 HE3 MET A 42 -20.712 -35.247 -3.983 1.00 10.00 H new ATOM 590 N ARG A 43 -19.509 -40.164 -0.972 1.00 10.00 N ATOM 591 CA ARG A 43 -20.008 -41.529 -1.023 1.00 10.00 C ATOM 592 C ARG A 43 -21.178 -41.592 -2.002 1.00 10.00 C ATOM 593 O ARG A 43 -22.254 -41.080 -1.700 1.00 10.00 O ATOM 594 CB ARG A 43 -20.477 -41.986 0.363 1.00 10.00 C ATOM 595 CG ARG A 43 -19.357 -42.009 1.413 1.00 10.00 C ATOM 596 CD ARG A 43 -19.487 -43.217 2.354 1.00 10.00 C ATOM 597 NE ARG A 43 -19.035 -44.457 1.699 1.00 10.00 N ATOM 598 CZ ARG A 43 -19.787 -45.374 1.066 1.00 10.00 C ATOM 599 NH1 ARG A 43 -21.124 -45.336 1.121 1.00 10.00 N ATOM 600 NH2 ARG A 43 -19.176 -46.331 0.362 1.00 10.00 N ATOM 0 H ARG A 43 -20.025 -39.575 -0.319 1.00 10.00 H new ATOM 0 HA ARG A 43 -19.205 -42.189 -1.351 1.00 10.00 H new ATOM 0 HB2 ARG A 43 -21.272 -41.323 0.706 1.00 10.00 H new ATOM 0 HB3 ARG A 43 -20.908 -42.984 0.281 1.00 10.00 H new ATOM 0 HG2 ARG A 43 -18.389 -42.040 0.913 1.00 10.00 H new ATOM 0 HG3 ARG A 43 -19.385 -41.088 1.996 1.00 10.00 H new ATOM 0 HD2 ARG A 43 -18.899 -43.044 3.255 1.00 10.00 H new ATOM 0 HD3 ARG A 43 -20.525 -43.326 2.668 1.00 10.00 H new ATOM 0 HE ARG A 43 -18.032 -44.642 1.729 1.00 10.00 H new ATOM 0 HH11 ARG A 43 -21.592 -44.601 1.651 1.00 10.00 H new ATOM 0 HH12 ARG A 43 -21.675 -46.042 0.633 1.00 10.00 H new ATOM 0 HH21 ARG A 43 -18.158 -46.356 0.312 1.00 10.00 H new ATOM 0 HH22 ARG A 43 -19.728 -47.037 -0.126 1.00 10.00 H new ATOM 614 N GLN A 44 -21.021 -42.273 -3.139 1.00 10.00 N ATOM 615 CA GLN A 44 -22.102 -42.457 -4.100 1.00 10.00 C ATOM 616 C GLN A 44 -22.918 -43.684 -3.677 1.00 10.00 C ATOM 617 O GLN A 44 -23.136 -44.607 -4.458 1.00 10.00 O ATOM 618 CB GLN A 44 -21.595 -42.506 -5.556 1.00 10.00 C ATOM 619 CG GLN A 44 -20.448 -43.491 -5.855 1.00 10.00 C ATOM 620 CD GLN A 44 -19.037 -43.004 -5.510 1.00 10.00 C ATOM 621 OE1 GLN A 44 -18.075 -43.743 -5.692 1.00 10.00 O ATOM 622 NE2 GLN A 44 -18.879 -41.781 -5.007 1.00 10.00 N ATOM 0 H GLN A 44 -20.142 -42.710 -3.416 1.00 10.00 H new ATOM 0 HA GLN A 44 -22.763 -41.590 -4.089 1.00 10.00 H new ATOM 0 HB2 GLN A 44 -22.437 -42.757 -6.201 1.00 10.00 H new ATOM 0 HB3 GLN A 44 -21.266 -41.505 -5.836 1.00 10.00 H new ATOM 0 HG2 GLN A 44 -20.636 -44.414 -5.307 1.00 10.00 H new ATOM 0 HG3 GLN A 44 -20.476 -43.739 -6.916 1.00 10.00 H new ATOM 0 HE21 GLN A 44 -19.691 -41.180 -4.862 1.00 10.00 H new ATOM 0 HE22 GLN A 44 -17.946 -41.445 -4.766 1.00 10.00 H new ATOM 631 N GLY A 45 -23.374 -43.682 -2.422 1.00 10.00 N ATOM 632 CA GLY A 45 -24.162 -44.753 -1.834 1.00 10.00 C ATOM 633 C GLY A 45 -23.352 -46.037 -1.644 1.00 10.00 C ATOM 634 O GLY A 45 -23.029 -46.408 -0.517 1.00 10.00 O ATOM 0 H GLY A 45 -23.198 -42.913 -1.775 1.00 10.00 H new ATOM 0 HA2 GLY A 45 -24.552 -44.426 -0.870 1.00 10.00 H new ATOM 0 HA3 GLY A 45 -25.022 -44.960 -2.471 1.00 10.00 H new ATOM 638 N PHE A 46 -23.025 -46.717 -2.745 1.00 10.00 N ATOM 639 CA PHE A 46 -22.285 -47.970 -2.732 1.00 10.00 C ATOM 640 C PHE A 46 -20.788 -47.695 -2.574 1.00 10.00 C ATOM 641 O PHE A 46 -20.216 -48.004 -1.530 1.00 10.00 O ATOM 642 CB PHE A 46 -22.645 -48.838 -3.953 1.00 10.00 C ATOM 643 CG PHE A 46 -22.524 -48.187 -5.323 1.00 10.00 C ATOM 644 CD1 PHE A 46 -23.534 -47.326 -5.793 1.00 10.00 C ATOM 645 CD2 PHE A 46 -21.437 -48.496 -6.162 1.00 10.00 C ATOM 646 CE1 PHE A 46 -23.381 -46.662 -7.022 1.00 10.00 C ATOM 647 CE2 PHE A 46 -21.295 -47.851 -7.402 1.00 10.00 C ATOM 648 CZ PHE A 46 -22.252 -46.912 -7.820 1.00 10.00 C ATOM 0 H PHE A 46 -23.273 -46.403 -3.683 1.00 10.00 H new ATOM 0 HA PHE A 46 -22.578 -48.563 -1.865 1.00 10.00 H new ATOM 0 HB2 PHE A 46 -22.007 -49.722 -3.940 1.00 10.00 H new ATOM 0 HB3 PHE A 46 -23.671 -49.184 -3.832 1.00 10.00 H new ATOM 0 HD1 PHE A 46 -24.429 -47.175 -5.207 1.00 10.00 H new ATOM 0 HD2 PHE A 46 -20.710 -49.231 -5.852 1.00 10.00 H new ATOM 0 HE1 PHE A 46 -24.131 -45.959 -7.353 1.00 10.00 H new ATOM 0 HE2 PHE A 46 -20.449 -48.077 -8.034 1.00 10.00 H new ATOM 0 HZ PHE A 46 -22.120 -46.383 -8.753 1.00 10.00 H new ATOM 658 N PHE A 47 -20.153 -47.107 -3.589 1.00 10.00 N ATOM 659 CA PHE A 47 -18.735 -46.766 -3.556 1.00 10.00 C ATOM 660 C PHE A 47 -18.554 -45.321 -3.092 1.00 10.00 C ATOM 661 O PHE A 47 -19.524 -44.581 -2.926 1.00 10.00 O ATOM 662 CB PHE A 47 -18.105 -46.984 -4.942 1.00 10.00 C ATOM 663 CG PHE A 47 -18.113 -48.401 -5.496 1.00 10.00 C ATOM 664 CD1 PHE A 47 -18.274 -49.528 -4.662 1.00 10.00 C ATOM 665 CD2 PHE A 47 -17.907 -48.587 -6.876 1.00 10.00 C ATOM 666 CE1 PHE A 47 -18.295 -50.820 -5.217 1.00 10.00 C ATOM 667 CE2 PHE A 47 -17.930 -49.879 -7.430 1.00 10.00 C ATOM 668 CZ PHE A 47 -18.134 -50.995 -6.601 1.00 10.00 C ATOM 0 H PHE A 47 -20.614 -46.853 -4.463 1.00 10.00 H new ATOM 0 HA PHE A 47 -18.227 -47.418 -2.846 1.00 10.00 H new ATOM 0 HB2 PHE A 47 -18.623 -46.341 -5.653 1.00 10.00 H new ATOM 0 HB3 PHE A 47 -17.070 -46.644 -4.900 1.00 10.00 H new ATOM 0 HD1 PHE A 47 -18.381 -49.398 -3.595 1.00 10.00 H new ATOM 0 HD2 PHE A 47 -17.730 -47.733 -7.513 1.00 10.00 H new ATOM 0 HE1 PHE A 47 -18.435 -51.679 -4.578 1.00 10.00 H new ATOM 0 HE2 PHE A 47 -17.791 -50.014 -8.493 1.00 10.00 H new ATOM 0 HZ PHE A 47 -18.167 -51.987 -7.028 1.00 10.00 H new ATOM 678 N ALA A 48 -17.298 -44.913 -2.903 1.00 10.00 N ATOM 679 CA ALA A 48 -16.942 -43.569 -2.496 1.00 10.00 C ATOM 680 C ALA A 48 -15.626 -43.175 -3.147 1.00 10.00 C ATOM 681 O ALA A 48 -14.819 -44.046 -3.473 1.00 10.00 O ATOM 682 CB ALA A 48 -16.811 -43.516 -0.974 1.00 10.00 C ATOM 0 H ALA A 48 -16.492 -45.524 -3.033 1.00 10.00 H new ATOM 0 HA ALA A 48 -17.718 -42.872 -2.811 1.00 10.00 H new ATOM 0 HB1 ALA A 48 -16.543 -42.505 -0.667 1.00 10.00 H new ATOM 0 HB2 ALA A 48 -17.761 -43.794 -0.517 1.00 10.00 H new ATOM 0 HB3 ALA A 48 -16.036 -44.211 -0.651 1.00 10.00 H new ATOM 688 N VAL A 49 -15.403 -41.868 -3.289 1.00 10.00 N ATOM 689 CA VAL A 49 -14.169 -41.290 -3.800 1.00 10.00 C ATOM 690 C VAL A 49 -13.901 -39.995 -3.062 1.00 10.00 C ATOM 691 O VAL A 49 -14.790 -39.472 -2.392 1.00 10.00 O ATOM 692 CB VAL A 49 -14.167 -41.073 -5.325 1.00 10.00 C ATOM 693 CG1 VAL A 49 -13.360 -42.196 -5.977 1.00 10.00 C ATOM 694 CG2 VAL A 49 -15.570 -40.965 -5.933 1.00 10.00 C ATOM 0 H VAL A 49 -16.100 -41.165 -3.043 1.00 10.00 H new ATOM 0 HA VAL A 49 -13.368 -42.006 -3.619 1.00 10.00 H new ATOM 0 HB VAL A 49 -13.701 -40.108 -5.525 1.00 10.00 H new ATOM 0 HG11 VAL A 49 -13.349 -42.056 -7.058 1.00 10.00 H new ATOM 0 HG12 VAL A 49 -12.338 -42.177 -5.599 1.00 10.00 H new ATOM 0 HG13 VAL A 49 -13.817 -43.157 -5.740 1.00 10.00 H new ATOM 0 HG21 VAL A 49 -15.489 -40.813 -7.009 1.00 10.00 H new ATOM 0 HG22 VAL A 49 -16.123 -41.883 -5.737 1.00 10.00 H new ATOM 0 HG23 VAL A 49 -16.096 -40.122 -5.486 1.00 10.00 H new ATOM 704 N GLN A 50 -12.666 -39.507 -3.177 1.00 10.00 N ATOM 705 CA GLN A 50 -12.207 -38.300 -2.526 1.00 10.00 C ATOM 706 C GLN A 50 -11.637 -37.306 -3.526 1.00 10.00 C ATOM 707 O GLN A 50 -11.119 -37.704 -4.570 1.00 10.00 O ATOM 708 CB GLN A 50 -11.207 -38.650 -1.413 1.00 10.00 C ATOM 709 CG GLN A 50 -9.789 -38.941 -1.919 1.00 10.00 C ATOM 710 CD GLN A 50 -9.674 -40.217 -2.751 1.00 10.00 C ATOM 711 OE1 GLN A 50 -9.846 -40.115 -4.067 1.00 10.00 O flip ATOM 712 NE2 GLN A 50 -9.441 -41.294 -2.217 1.00 10.00 N flip ATOM 0 H GLN A 50 -11.946 -39.958 -3.742 1.00 10.00 H new ATOM 0 HA GLN A 50 -13.062 -37.807 -2.063 1.00 10.00 H new ATOM 0 HB2 GLN A 50 -11.166 -37.825 -0.702 1.00 10.00 H new ATOM 0 HB3 GLN A 50 -11.574 -39.521 -0.869 1.00 10.00 H new ATOM 0 HG2 GLN A 50 -9.448 -38.097 -2.519 1.00 10.00 H new ATOM 0 HG3 GLN A 50 -9.118 -39.016 -1.064 1.00 10.00 H new ATOM 0 HE21 GLN A 50 -9.313 -41.345 -1.206 1.00 10.00 H new ATOM 0 HE22 GLN A 50 -9.375 -42.140 -2.783 1.00 10.00 H new ATOM 721 N GLN A 51 -11.709 -36.017 -3.186 1.00 10.00 N ATOM 722 CA GLN A 51 -11.187 -34.934 -4.005 1.00 10.00 C ATOM 723 C GLN A 51 -10.578 -33.883 -3.080 1.00 10.00 C ATOM 724 O GLN A 51 -10.908 -33.837 -1.898 1.00 10.00 O ATOM 725 CB GLN A 51 -12.301 -34.291 -4.853 1.00 10.00 C ATOM 726 CG GLN A 51 -13.175 -35.275 -5.653 1.00 10.00 C ATOM 727 CD GLN A 51 -14.211 -36.020 -4.809 1.00 10.00 C ATOM 728 OE1 GLN A 51 -14.330 -37.238 -4.887 1.00 10.00 O ATOM 729 NE2 GLN A 51 -14.977 -35.302 -3.993 1.00 10.00 N ATOM 0 H GLN A 51 -12.140 -35.697 -2.319 1.00 10.00 H new ATOM 0 HA GLN A 51 -10.435 -35.332 -4.686 1.00 10.00 H new ATOM 0 HB2 GLN A 51 -12.947 -33.711 -4.194 1.00 10.00 H new ATOM 0 HB3 GLN A 51 -11.844 -33.588 -5.550 1.00 10.00 H new ATOM 0 HG2 GLN A 51 -13.691 -34.727 -6.442 1.00 10.00 H new ATOM 0 HG3 GLN A 51 -12.528 -36.004 -6.142 1.00 10.00 H new ATOM 0 HE21 GLN A 51 -14.861 -34.290 -3.944 1.00 10.00 H new ATOM 0 HE22 GLN A 51 -15.680 -35.763 -3.416 1.00 10.00 H new ATOM 738 N THR A 52 -9.703 -33.029 -3.609 1.00 10.00 N ATOM 739 CA THR A 52 -9.101 -31.942 -2.857 1.00 10.00 C ATOM 740 C THR A 52 -10.208 -31.016 -2.343 1.00 10.00 C ATOM 741 O THR A 52 -11.130 -30.704 -3.093 1.00 10.00 O ATOM 742 CB THR A 52 -8.163 -31.186 -3.805 1.00 10.00 C ATOM 743 OG1 THR A 52 -7.388 -32.124 -4.528 1.00 10.00 O ATOM 744 CG2 THR A 52 -7.250 -30.240 -3.028 1.00 10.00 C ATOM 0 H THR A 52 -9.393 -33.077 -4.580 1.00 10.00 H new ATOM 0 HA THR A 52 -8.539 -32.315 -2.001 1.00 10.00 H new ATOM 0 HB THR A 52 -8.759 -30.587 -4.493 1.00 10.00 H new ATOM 0 HG1 THR A 52 -6.786 -31.650 -5.139 1.00 10.00 H new ATOM 0 HG21 THR A 52 -6.594 -29.715 -3.723 1.00 10.00 H new ATOM 0 HG22 THR A 52 -7.856 -29.516 -2.483 1.00 10.00 H new ATOM 0 HG23 THR A 52 -6.648 -30.813 -2.323 1.00 10.00 H new ATOM 752 N CYS A 53 -10.139 -30.565 -1.086 1.00 10.00 N ATOM 753 CA CYS A 53 -11.167 -29.682 -0.548 1.00 10.00 C ATOM 754 C CYS A 53 -11.031 -28.290 -1.180 1.00 10.00 C ATOM 755 O CYS A 53 -10.004 -27.641 -0.971 1.00 10.00 O ATOM 756 CB CYS A 53 -11.050 -29.587 0.973 1.00 10.00 C ATOM 757 SG CYS A 53 -12.350 -28.563 1.718 1.00 10.00 S ATOM 0 H CYS A 53 -9.390 -30.796 -0.433 1.00 10.00 H new ATOM 0 HA CYS A 53 -12.148 -30.092 -0.790 1.00 10.00 H new ATOM 0 HB2 CYS A 53 -11.095 -30.589 1.399 1.00 10.00 H new ATOM 0 HB3 CYS A 53 -10.075 -29.174 1.232 1.00 10.00 H new ATOM 762 N PRO A 54 -12.032 -27.798 -1.933 1.00 10.00 N ATOM 763 CA PRO A 54 -11.947 -26.497 -2.576 1.00 10.00 C ATOM 764 C PRO A 54 -11.982 -25.365 -1.549 1.00 10.00 C ATOM 765 O PRO A 54 -11.246 -24.390 -1.690 1.00 10.00 O ATOM 766 CB PRO A 54 -13.133 -26.439 -3.542 1.00 10.00 C ATOM 767 CG PRO A 54 -14.167 -27.366 -2.904 1.00 10.00 C ATOM 768 CD PRO A 54 -13.305 -28.440 -2.236 1.00 10.00 C ATOM 0 HA PRO A 54 -11.004 -26.369 -3.108 1.00 10.00 H new ATOM 0 HB2 PRO A 54 -13.516 -25.424 -3.645 1.00 10.00 H new ATOM 0 HB3 PRO A 54 -12.854 -26.778 -4.540 1.00 10.00 H new ATOM 0 HG2 PRO A 54 -14.788 -26.839 -2.179 1.00 10.00 H new ATOM 0 HG3 PRO A 54 -14.839 -27.794 -3.648 1.00 10.00 H new ATOM 0 HD2 PRO A 54 -13.780 -28.814 -1.329 1.00 10.00 H new ATOM 0 HD3 PRO A 54 -13.164 -29.295 -2.897 1.00 10.00 H new ATOM 776 N HIS A 55 -12.829 -25.490 -0.520 1.00 10.00 N ATOM 777 CA HIS A 55 -13.021 -24.487 0.524 1.00 10.00 C ATOM 778 C HIS A 55 -11.700 -23.929 1.070 1.00 10.00 C ATOM 779 O HIS A 55 -11.628 -22.741 1.380 1.00 10.00 O ATOM 780 CB HIS A 55 -13.889 -25.078 1.646 1.00 10.00 C ATOM 781 CG HIS A 55 -14.412 -24.073 2.647 1.00 10.00 C ATOM 782 ND1 HIS A 55 -13.967 -22.783 2.833 1.00 10.00 N ATOM 783 CD2 HIS A 55 -15.421 -24.290 3.548 1.00 10.00 C ATOM 784 CE1 HIS A 55 -14.690 -22.241 3.828 1.00 10.00 C ATOM 785 NE2 HIS A 55 -15.588 -23.122 4.297 1.00 10.00 N ATOM 0 H HIS A 55 -13.414 -26.316 -0.391 1.00 10.00 H new ATOM 0 HA HIS A 55 -13.535 -23.636 0.078 1.00 10.00 H new ATOM 0 HB2 HIS A 55 -14.737 -25.594 1.195 1.00 10.00 H new ATOM 0 HB3 HIS A 55 -13.306 -25.829 2.179 1.00 10.00 H new ATOM 0 HD1 HIS A 55 -13.223 -22.322 2.310 1.00 10.00 H new ATOM 0 HD2 HIS A 55 -15.987 -25.203 3.660 1.00 10.00 H new ATOM 0 HE1 HIS A 55 -14.566 -21.235 4.199 1.00 10.00 H new ATOM 793 N CYS A 56 -10.675 -24.778 1.190 1.00 10.00 N ATOM 794 CA CYS A 56 -9.353 -24.394 1.675 1.00 10.00 C ATOM 795 C CYS A 56 -8.265 -24.691 0.640 1.00 10.00 C ATOM 796 O CYS A 56 -7.099 -24.817 1.006 1.00 10.00 O ATOM 797 CB CYS A 56 -9.072 -25.122 2.994 1.00 10.00 C ATOM 798 SG CYS A 56 -9.214 -26.924 2.925 1.00 10.00 S ATOM 0 H CYS A 56 -10.745 -25.766 0.948 1.00 10.00 H new ATOM 0 HA CYS A 56 -9.340 -23.318 1.846 1.00 10.00 H new ATOM 0 HB2 CYS A 56 -8.066 -24.865 3.325 1.00 10.00 H new ATOM 0 HB3 CYS A 56 -9.761 -24.748 3.751 1.00 10.00 H new ATOM 803 N GLN A 57 -8.629 -24.814 -0.642 1.00 10.00 N ATOM 804 CA GLN A 57 -7.706 -25.100 -1.739 1.00 10.00 C ATOM 805 C GLN A 57 -6.721 -26.221 -1.375 1.00 10.00 C ATOM 806 O GLN A 57 -5.528 -26.129 -1.652 1.00 10.00 O ATOM 807 CB GLN A 57 -6.975 -23.810 -2.149 1.00 10.00 C ATOM 808 CG GLN A 57 -7.919 -22.686 -2.601 1.00 10.00 C ATOM 809 CD GLN A 57 -8.585 -22.999 -3.937 1.00 10.00 C ATOM 810 OE1 GLN A 57 -8.000 -22.782 -4.992 1.00 10.00 O ATOM 811 NE2 GLN A 57 -9.811 -23.510 -3.916 1.00 10.00 N ATOM 0 H GLN A 57 -9.597 -24.715 -0.949 1.00 10.00 H new ATOM 0 HA GLN A 57 -8.280 -25.460 -2.592 1.00 10.00 H new ATOM 0 HB2 GLN A 57 -6.379 -23.457 -1.307 1.00 10.00 H new ATOM 0 HB3 GLN A 57 -6.280 -24.037 -2.958 1.00 10.00 H new ATOM 0 HG2 GLN A 57 -8.686 -22.530 -1.842 1.00 10.00 H new ATOM 0 HG3 GLN A 57 -7.359 -21.755 -2.685 1.00 10.00 H new ATOM 0 HE21 GLN A 57 -10.277 -23.682 -3.025 1.00 10.00 H new ATOM 0 HE22 GLN A 57 -10.287 -23.731 -4.791 1.00 10.00 H new ATOM 820 N GLY A 58 -7.215 -27.286 -0.739 1.00 10.00 N ATOM 821 CA GLY A 58 -6.403 -28.425 -0.334 1.00 10.00 C ATOM 822 C GLY A 58 -5.430 -28.170 0.824 1.00 10.00 C ATOM 823 O GLY A 58 -4.785 -29.108 1.283 1.00 10.00 O ATOM 0 H GLY A 58 -8.200 -27.378 -0.491 1.00 10.00 H new ATOM 0 HA2 GLY A 58 -7.069 -29.241 -0.052 1.00 10.00 H new ATOM 0 HA3 GLY A 58 -5.831 -28.765 -1.197 1.00 10.00 H new ATOM 827 N ARG A 59 -5.309 -26.935 1.320 1.00 10.00 N ATOM 828 CA ARG A 59 -4.374 -26.589 2.389 1.00 10.00 C ATOM 829 C ARG A 59 -4.867 -27.017 3.775 1.00 10.00 C ATOM 830 O ARG A 59 -4.147 -26.866 4.760 1.00 10.00 O ATOM 831 CB ARG A 59 -4.111 -25.076 2.369 1.00 10.00 C ATOM 832 CG ARG A 59 -3.653 -24.586 0.989 1.00 10.00 C ATOM 833 CD ARG A 59 -3.320 -23.092 1.024 1.00 10.00 C ATOM 834 NE ARG A 59 -2.120 -22.833 1.826 1.00 10.00 N ATOM 835 CZ ARG A 59 -1.678 -21.613 2.155 1.00 10.00 C ATOM 836 NH1 ARG A 59 -2.344 -20.521 1.771 1.00 10.00 N ATOM 837 NH2 ARG A 59 -0.553 -21.485 2.862 1.00 10.00 N ATOM 0 H ARG A 59 -5.861 -26.144 0.988 1.00 10.00 H new ATOM 0 HA ARG A 59 -3.451 -27.137 2.202 1.00 10.00 H new ATOM 0 HB2 ARG A 59 -5.019 -24.547 2.657 1.00 10.00 H new ATOM 0 HB3 ARG A 59 -3.351 -24.831 3.111 1.00 10.00 H new ATOM 0 HG2 ARG A 59 -2.777 -25.151 0.670 1.00 10.00 H new ATOM 0 HG3 ARG A 59 -4.436 -24.771 0.254 1.00 10.00 H new ATOM 0 HD2 ARG A 59 -3.167 -22.727 0.008 1.00 10.00 H new ATOM 0 HD3 ARG A 59 -4.163 -22.539 1.438 1.00 10.00 H new ATOM 0 HE ARG A 59 -1.586 -23.637 2.156 1.00 10.00 H new ATOM 0 HH11 ARG A 59 -3.199 -20.612 1.221 1.00 10.00 H new ATOM 0 HH12 ARG A 59 -1.998 -19.596 2.027 1.00 10.00 H new ATOM 0 HH21 ARG A 59 -0.034 -22.315 3.149 1.00 10.00 H new ATOM 0 HH22 ARG A 59 -0.212 -20.557 3.115 1.00 10.00 H new ATOM 851 N GLY A 60 -6.113 -27.490 3.882 1.00 10.00 N ATOM 852 CA GLY A 60 -6.727 -27.904 5.142 1.00 10.00 C ATOM 853 C GLY A 60 -6.922 -26.762 6.151 1.00 10.00 C ATOM 854 O GLY A 60 -7.455 -26.988 7.235 1.00 10.00 O ATOM 0 H GLY A 60 -6.732 -27.597 3.079 1.00 10.00 H new ATOM 0 HA2 GLY A 60 -7.696 -28.356 4.930 1.00 10.00 H new ATOM 0 HA3 GLY A 60 -6.108 -28.676 5.599 1.00 10.00 H new ATOM 858 N THR A 61 -6.488 -25.545 5.821 1.00 10.00 N ATOM 859 CA THR A 61 -6.489 -24.384 6.688 1.00 10.00 C ATOM 860 C THR A 61 -7.169 -23.209 5.983 1.00 10.00 C ATOM 861 O THR A 61 -6.912 -22.954 4.808 1.00 10.00 O ATOM 862 CB THR A 61 -5.021 -24.075 7.029 1.00 10.00 C ATOM 863 OG1 THR A 61 -4.165 -24.341 5.931 1.00 10.00 O ATOM 864 CG2 THR A 61 -4.560 -24.915 8.223 1.00 10.00 C ATOM 0 H THR A 61 -6.110 -25.341 4.896 1.00 10.00 H new ATOM 0 HA THR A 61 -7.048 -24.568 7.605 1.00 10.00 H new ATOM 0 HB THR A 61 -4.965 -23.014 7.274 1.00 10.00 H new ATOM 0 HG1 THR A 61 -4.174 -25.301 5.735 1.00 10.00 H new ATOM 0 HG21 THR A 61 -3.519 -24.684 8.450 1.00 10.00 H new ATOM 0 HG22 THR A 61 -5.180 -24.687 9.090 1.00 10.00 H new ATOM 0 HG23 THR A 61 -4.652 -25.974 7.980 1.00 10.00 H new ATOM 872 N LEU A 62 -8.039 -22.500 6.704 1.00 10.00 N ATOM 873 CA LEU A 62 -8.763 -21.338 6.220 1.00 10.00 C ATOM 874 C LEU A 62 -8.083 -20.089 6.769 1.00 10.00 C ATOM 875 O LEU A 62 -7.999 -19.892 7.986 1.00 10.00 O ATOM 876 CB LEU A 62 -10.232 -21.377 6.668 1.00 10.00 C ATOM 877 CG LEU A 62 -11.009 -22.597 6.152 1.00 10.00 C ATOM 878 CD1 LEU A 62 -12.380 -22.644 6.835 1.00 10.00 C ATOM 879 CD2 LEU A 62 -11.211 -22.529 4.636 1.00 10.00 C ATOM 0 H LEU A 62 -8.262 -22.732 7.672 1.00 10.00 H new ATOM 0 HA LEU A 62 -8.750 -21.331 5.130 1.00 10.00 H new ATOM 0 HB2 LEU A 62 -10.269 -21.369 7.757 1.00 10.00 H new ATOM 0 HB3 LEU A 62 -10.730 -20.470 6.325 1.00 10.00 H new ATOM 0 HG LEU A 62 -10.432 -23.492 6.383 1.00 10.00 H new ATOM 0 HD11 LEU A 62 -12.937 -23.508 6.473 1.00 10.00 H new ATOM 0 HD12 LEU A 62 -12.246 -22.724 7.914 1.00 10.00 H new ATOM 0 HD13 LEU A 62 -12.933 -21.733 6.604 1.00 10.00 H new ATOM 0 HD21 LEU A 62 -11.764 -23.407 4.303 1.00 10.00 H new ATOM 0 HD22 LEU A 62 -11.772 -21.629 4.384 1.00 10.00 H new ATOM 0 HD23 LEU A 62 -10.241 -22.502 4.140 1.00 10.00 H new ATOM 891 N ILE A 63 -7.608 -19.236 5.860 1.00 10.00 N ATOM 892 CA ILE A 63 -6.958 -17.980 6.181 1.00 10.00 C ATOM 893 C ILE A 63 -8.039 -16.962 6.570 1.00 10.00 C ATOM 894 O ILE A 63 -8.283 -15.981 5.872 1.00 10.00 O ATOM 895 CB ILE A 63 -6.095 -17.529 4.985 1.00 10.00 C ATOM 896 CG1 ILE A 63 -5.116 -18.615 4.494 1.00 10.00 C ATOM 897 CG2 ILE A 63 -5.329 -16.251 5.343 1.00 10.00 C ATOM 898 CD1 ILE A 63 -4.044 -18.979 5.521 1.00 10.00 C ATOM 0 H ILE A 63 -7.670 -19.411 4.857 1.00 10.00 H new ATOM 0 HA ILE A 63 -6.281 -18.082 7.029 1.00 10.00 H new ATOM 0 HB ILE A 63 -6.781 -17.335 4.161 1.00 10.00 H new ATOM 0 HG12 ILE A 63 -5.680 -19.511 4.236 1.00 10.00 H new ATOM 0 HG13 ILE A 63 -4.631 -18.270 3.581 1.00 10.00 H new ATOM 0 HG21 ILE A 63 -4.722 -15.940 4.492 1.00 10.00 H new ATOM 0 HG22 ILE A 63 -6.037 -15.460 5.592 1.00 10.00 H new ATOM 0 HG23 ILE A 63 -4.682 -16.442 6.199 1.00 10.00 H new ATOM 0 HD11 ILE A 63 -3.391 -19.748 5.108 1.00 10.00 H new ATOM 0 HD12 ILE A 63 -3.455 -18.094 5.762 1.00 10.00 H new ATOM 0 HD13 ILE A 63 -4.520 -19.355 6.426 1.00 10.00 H new ATOM 910 N LYS A 64 -8.711 -17.208 7.696 1.00 10.00 N ATOM 911 CA LYS A 64 -9.763 -16.334 8.200 1.00 10.00 C ATOM 912 C LYS A 64 -9.186 -14.956 8.548 1.00 10.00 C ATOM 913 O LYS A 64 -9.847 -13.933 8.394 1.00 10.00 O ATOM 914 CB LYS A 64 -10.402 -16.999 9.428 1.00 10.00 C ATOM 915 CG LYS A 64 -11.624 -16.253 9.988 1.00 10.00 C ATOM 916 CD LYS A 64 -12.771 -16.061 8.982 1.00 10.00 C ATOM 917 CE LYS A 64 -13.244 -17.364 8.320 1.00 10.00 C ATOM 918 NZ LYS A 64 -13.649 -18.374 9.313 1.00 10.00 N ATOM 0 H LYS A 64 -8.537 -18.023 8.284 1.00 10.00 H new ATOM 0 HA LYS A 64 -10.527 -16.184 7.437 1.00 10.00 H new ATOM 0 HB2 LYS A 64 -10.700 -18.013 9.163 1.00 10.00 H new ATOM 0 HB3 LYS A 64 -9.651 -17.083 10.213 1.00 10.00 H new ATOM 0 HG2 LYS A 64 -12.003 -16.800 10.852 1.00 10.00 H new ATOM 0 HG3 LYS A 64 -11.304 -15.274 10.346 1.00 10.00 H new ATOM 0 HD2 LYS A 64 -13.615 -15.597 9.493 1.00 10.00 H new ATOM 0 HD3 LYS A 64 -12.448 -15.367 8.206 1.00 10.00 H new ATOM 0 HE2 LYS A 64 -14.083 -17.150 7.658 1.00 10.00 H new ATOM 0 HE3 LYS A 64 -12.443 -17.767 7.700 1.00 10.00 H new ATOM 0 HZ1 LYS A 64 -14.056 -19.197 8.825 1.00 10.00 H new ATOM 0 HZ2 LYS A 64 -12.818 -18.673 9.863 1.00 10.00 H new ATOM 0 HZ3 LYS A 64 -14.359 -17.966 9.954 1.00 10.00 H new ATOM 932 N ASP A 65 -7.949 -14.960 9.051 1.00 10.00 N ATOM 933 CA ASP A 65 -7.169 -13.820 9.510 1.00 10.00 C ATOM 934 C ASP A 65 -6.006 -13.547 8.535 1.00 10.00 C ATOM 935 O ASP A 65 -4.869 -13.917 8.827 1.00 10.00 O ATOM 936 CB ASP A 65 -6.674 -14.158 10.927 1.00 10.00 C ATOM 937 CG ASP A 65 -5.841 -15.444 10.993 1.00 10.00 C ATOM 938 OD1 ASP A 65 -6.386 -16.510 10.625 1.00 10.00 O ATOM 939 OD2 ASP A 65 -4.669 -15.337 11.402 1.00 10.00 O ATOM 0 H ASP A 65 -7.431 -15.832 9.154 1.00 10.00 H new ATOM 0 HA ASP A 65 -7.765 -12.908 9.539 1.00 10.00 H new ATOM 0 HB2 ASP A 65 -6.076 -13.327 11.302 1.00 10.00 H new ATOM 0 HB3 ASP A 65 -7.534 -14.257 11.590 1.00 10.00 H new ATOM 944 N PRO A 66 -6.261 -12.931 7.368 1.00 10.00 N ATOM 945 CA PRO A 66 -5.253 -12.726 6.337 1.00 10.00 C ATOM 946 C PRO A 66 -4.082 -11.822 6.728 1.00 10.00 C ATOM 947 O PRO A 66 -4.251 -10.659 7.087 1.00 10.00 O ATOM 948 CB PRO A 66 -6.006 -12.176 5.119 1.00 10.00 C ATOM 949 CG PRO A 66 -7.234 -11.513 5.738 1.00 10.00 C ATOM 950 CD PRO A 66 -7.551 -12.444 6.906 1.00 10.00 C ATOM 0 HA PRO A 66 -4.761 -13.678 6.138 1.00 10.00 H new ATOM 0 HB2 PRO A 66 -5.401 -11.462 4.561 1.00 10.00 H new ATOM 0 HB3 PRO A 66 -6.284 -12.970 4.425 1.00 10.00 H new ATOM 0 HG2 PRO A 66 -7.023 -10.497 6.073 1.00 10.00 H new ATOM 0 HG3 PRO A 66 -8.062 -11.450 5.032 1.00 10.00 H new ATOM 0 HD2 PRO A 66 -8.079 -11.915 7.699 1.00 10.00 H new ATOM 0 HD3 PRO A 66 -8.192 -13.267 6.590 1.00 10.00 H new ATOM 958 N CYS A 67 -2.871 -12.365 6.585 1.00 10.00 N ATOM 959 CA CYS A 67 -1.613 -11.676 6.778 1.00 10.00 C ATOM 960 C CYS A 67 -1.443 -10.674 5.635 1.00 10.00 C ATOM 961 O CYS A 67 -0.978 -11.037 4.550 1.00 10.00 O ATOM 962 CB CYS A 67 -0.478 -12.705 6.764 1.00 10.00 C ATOM 963 SG CYS A 67 1.185 -11.991 6.817 1.00 10.00 S ATOM 0 H CYS A 67 -2.745 -13.342 6.319 1.00 10.00 H new ATOM 0 HA CYS A 67 -1.595 -11.148 7.731 1.00 10.00 H new ATOM 0 HB2 CYS A 67 -0.600 -13.373 7.617 1.00 10.00 H new ATOM 0 HB3 CYS A 67 -0.569 -13.315 5.865 1.00 10.00 H new ATOM 968 N ASN A 68 -1.844 -9.425 5.882 1.00 10.00 N ATOM 969 CA ASN A 68 -1.799 -8.317 4.932 1.00 10.00 C ATOM 970 C ASN A 68 -0.532 -8.309 4.071 1.00 10.00 C ATOM 971 O ASN A 68 -0.637 -8.178 2.854 1.00 10.00 O ATOM 972 CB ASN A 68 -1.943 -6.986 5.678 1.00 10.00 C ATOM 973 CG ASN A 68 -1.812 -5.810 4.714 1.00 10.00 C ATOM 974 OD1 ASN A 68 -0.767 -5.174 4.648 1.00 10.00 O ATOM 975 ND2 ASN A 68 -2.862 -5.516 3.953 1.00 10.00 N ATOM 0 H ASN A 68 -2.224 -9.149 6.787 1.00 10.00 H new ATOM 0 HA ASN A 68 -2.636 -8.454 4.247 1.00 10.00 H new ATOM 0 HB2 ASN A 68 -2.911 -6.947 6.178 1.00 10.00 H new ATOM 0 HB3 ASN A 68 -1.180 -6.914 6.453 1.00 10.00 H new ATOM 0 HD21 ASN A 68 -2.811 -4.742 3.291 1.00 10.00 H new ATOM 0 HD22 ASN A 68 -3.718 -6.065 4.031 1.00 10.00 H new ATOM 982 N LYS A 69 0.644 -8.463 4.690 1.00 10.00 N ATOM 983 CA LYS A 69 1.935 -8.465 4.003 1.00 10.00 C ATOM 984 C LYS A 69 1.933 -9.337 2.743 1.00 10.00 C ATOM 985 O LYS A 69 2.458 -8.918 1.715 1.00 10.00 O ATOM 986 CB LYS A 69 3.048 -8.895 4.973 1.00 10.00 C ATOM 987 CG LYS A 69 4.432 -8.849 4.301 1.00 10.00 C ATOM 988 CD LYS A 69 5.545 -9.174 5.301 1.00 10.00 C ATOM 989 CE LYS A 69 6.901 -9.258 4.589 1.00 10.00 C ATOM 990 NZ LYS A 69 7.987 -9.608 5.522 1.00 10.00 N ATOM 0 H LYS A 69 0.724 -8.592 5.699 1.00 10.00 H new ATOM 0 HA LYS A 69 2.128 -7.446 3.668 1.00 10.00 H new ATOM 0 HB2 LYS A 69 3.044 -8.241 5.845 1.00 10.00 H new ATOM 0 HB3 LYS A 69 2.850 -9.905 5.331 1.00 10.00 H new ATOM 0 HG2 LYS A 69 4.462 -9.560 3.476 1.00 10.00 H new ATOM 0 HG3 LYS A 69 4.600 -7.860 3.875 1.00 10.00 H new ATOM 0 HD2 LYS A 69 5.581 -8.408 6.075 1.00 10.00 H new ATOM 0 HD3 LYS A 69 5.330 -10.120 5.799 1.00 10.00 H new ATOM 0 HE2 LYS A 69 6.849 -10.003 3.795 1.00 10.00 H new ATOM 0 HE3 LYS A 69 7.123 -8.302 4.115 1.00 10.00 H new ATOM 0 HZ1 LYS A 69 8.904 -9.379 5.089 1.00 10.00 H new ATOM 0 HZ2 LYS A 69 7.875 -9.067 6.403 1.00 10.00 H new ATOM 0 HZ3 LYS A 69 7.949 -10.626 5.733 1.00 10.00 H new ATOM 1004 N CYS A 70 1.342 -10.534 2.814 1.00 10.00 N ATOM 1005 CA CYS A 70 1.250 -11.443 1.674 1.00 10.00 C ATOM 1006 C CYS A 70 -0.204 -11.608 1.239 1.00 10.00 C ATOM 1007 O CYS A 70 -0.537 -12.595 0.592 1.00 10.00 O ATOM 1008 CB CYS A 70 1.860 -12.802 2.035 1.00 10.00 C ATOM 1009 SG CYS A 70 1.051 -13.666 3.403 1.00 10.00 S ATOM 0 H CYS A 70 0.914 -10.897 3.666 1.00 10.00 H new ATOM 0 HA CYS A 70 1.810 -11.018 0.841 1.00 10.00 H new ATOM 0 HB2 CYS A 70 1.831 -13.442 1.153 1.00 10.00 H new ATOM 0 HB3 CYS A 70 2.910 -12.656 2.288 1.00 10.00 H new ATOM 1014 N HIS A 71 -1.082 -10.675 1.619 1.00 10.00 N ATOM 1015 CA HIS A 71 -2.508 -10.718 1.326 1.00 10.00 C ATOM 1016 C HIS A 71 -3.086 -12.093 1.691 1.00 10.00 C ATOM 1017 O HIS A 71 -3.883 -12.661 0.945 1.00 10.00 O ATOM 1018 CB HIS A 71 -2.747 -10.358 -0.149 1.00 10.00 C ATOM 1019 CG HIS A 71 -2.257 -8.993 -0.572 1.00 10.00 C ATOM 1020 ND1 HIS A 71 -1.608 -8.059 0.206 1.00 10.00 N ATOM 1021 CD2 HIS A 71 -2.375 -8.464 -1.830 1.00 10.00 C ATOM 1022 CE1 HIS A 71 -1.340 -6.996 -0.571 1.00 10.00 C ATOM 1023 NE2 HIS A 71 -1.792 -7.194 -1.820 1.00 10.00 N ATOM 0 H HIS A 71 -0.808 -9.850 2.152 1.00 10.00 H new ATOM 0 HA HIS A 71 -3.031 -9.980 1.935 1.00 10.00 H new ATOM 0 HB2 HIS A 71 -2.260 -11.109 -0.772 1.00 10.00 H new ATOM 0 HB3 HIS A 71 -3.816 -10.420 -0.352 1.00 10.00 H new ATOM 0 HD1 HIS A 71 -1.373 -8.157 1.194 1.00 10.00 H new ATOM 0 HD2 HIS A 71 -2.837 -8.944 -2.680 1.00 10.00 H new ATOM 0 HE1 HIS A 71 -0.831 -6.104 -0.237 1.00 10.00 H new ATOM 1031 N GLY A 72 -2.658 -12.656 2.827 1.00 10.00 N ATOM 1032 CA GLY A 72 -3.097 -13.963 3.281 1.00 10.00 C ATOM 1033 C GLY A 72 -2.812 -15.102 2.296 1.00 10.00 C ATOM 1034 O GLY A 72 -3.440 -16.151 2.391 1.00 10.00 O ATOM 0 H GLY A 72 -1.992 -12.207 3.456 1.00 10.00 H new ATOM 0 HA2 GLY A 72 -2.609 -14.188 4.229 1.00 10.00 H new ATOM 0 HA3 GLY A 72 -4.169 -13.926 3.475 1.00 10.00 H new ATOM 1038 N HIS A 73 -1.870 -14.934 1.360 1.00 10.00 N ATOM 1039 CA HIS A 73 -1.527 -15.991 0.424 1.00 10.00 C ATOM 1040 C HIS A 73 -0.685 -17.013 1.180 1.00 10.00 C ATOM 1041 O HIS A 73 -1.134 -18.133 1.421 1.00 10.00 O ATOM 1042 CB HIS A 73 -0.787 -15.415 -0.793 1.00 10.00 C ATOM 1043 CG HIS A 73 -1.646 -14.557 -1.690 1.00 10.00 C ATOM 1044 ND1 HIS A 73 -2.768 -13.841 -1.328 1.00 10.00 N ATOM 1045 CD2 HIS A 73 -1.438 -14.341 -3.025 1.00 10.00 C ATOM 1046 CE1 HIS A 73 -3.223 -13.218 -2.427 1.00 10.00 C ATOM 1047 NE2 HIS A 73 -2.447 -13.491 -3.487 1.00 10.00 N ATOM 0 H HIS A 73 -1.336 -14.073 1.237 1.00 10.00 H new ATOM 0 HA HIS A 73 -2.422 -16.476 0.034 1.00 10.00 H new ATOM 0 HB2 HIS A 73 0.058 -14.823 -0.443 1.00 10.00 H new ATOM 0 HB3 HIS A 73 -0.379 -16.238 -1.379 1.00 10.00 H new ATOM 0 HD1 HIS A 73 -3.178 -13.793 -0.395 1.00 10.00 H new ATOM 0 HD2 HIS A 73 -0.635 -14.755 -3.618 1.00 10.00 H new ATOM 0 HE1 HIS A 73 -4.096 -12.583 -2.454 1.00 10.00 H new ATOM 1055 N GLY A 74 0.528 -16.609 1.568 1.00 10.00 N ATOM 1056 CA GLY A 74 1.451 -17.443 2.320 1.00 10.00 C ATOM 1057 C GLY A 74 2.900 -17.144 1.952 1.00 10.00 C ATOM 1058 O GLY A 74 3.744 -17.009 2.833 1.00 10.00 O ATOM 0 H GLY A 74 0.895 -15.680 1.363 1.00 10.00 H new ATOM 0 HA2 GLY A 74 1.304 -17.279 3.388 1.00 10.00 H new ATOM 0 HA3 GLY A 74 1.235 -18.494 2.126 1.00 10.00 H new ATOM 1062 N ARG A 75 3.197 -17.023 0.656 1.00 10.00 N ATOM 1063 CA ARG A 75 4.536 -16.746 0.144 1.00 10.00 C ATOM 1064 C ARG A 75 4.517 -15.500 -0.737 1.00 10.00 C ATOM 1065 O ARG A 75 3.451 -15.088 -1.193 1.00 10.00 O ATOM 1066 CB ARG A 75 5.114 -17.967 -0.596 1.00 10.00 C ATOM 1067 CG ARG A 75 4.211 -18.556 -1.690 1.00 10.00 C ATOM 1068 CD ARG A 75 3.108 -19.466 -1.128 1.00 10.00 C ATOM 1069 NE ARG A 75 1.768 -18.984 -1.492 1.00 10.00 N ATOM 1070 CZ ARG A 75 0.632 -19.394 -0.913 1.00 10.00 C ATOM 1071 NH1 ARG A 75 0.659 -20.237 0.124 1.00 10.00 N ATOM 1072 NH2 ARG A 75 -0.542 -18.951 -1.372 1.00 10.00 N ATOM 0 H ARG A 75 2.497 -17.117 -0.080 1.00 10.00 H new ATOM 0 HA ARG A 75 5.197 -16.548 0.988 1.00 10.00 H new ATOM 0 HB2 ARG A 75 6.065 -17.682 -1.046 1.00 10.00 H new ATOM 0 HB3 ARG A 75 5.328 -18.747 0.135 1.00 10.00 H new ATOM 0 HG2 ARG A 75 3.753 -17.743 -2.253 1.00 10.00 H new ATOM 0 HG3 ARG A 75 4.822 -19.124 -2.391 1.00 10.00 H new ATOM 0 HD2 ARG A 75 3.245 -20.479 -1.505 1.00 10.00 H new ATOM 0 HD3 ARG A 75 3.195 -19.515 -0.043 1.00 10.00 H new ATOM 0 HE ARG A 75 1.699 -18.290 -2.236 1.00 10.00 H new ATOM 0 HH11 ARG A 75 1.552 -20.575 0.483 1.00 10.00 H new ATOM 0 HH12 ARG A 75 -0.213 -20.542 0.556 1.00 10.00 H new ATOM 0 HH21 ARG A 75 -0.570 -18.304 -2.160 1.00 10.00 H new ATOM 0 HH22 ARG A 75 -1.410 -19.260 -0.935 1.00 10.00 H new ATOM 1086 N VAL A 76 5.692 -14.902 -0.962 1.00 10.00 N ATOM 1087 CA VAL A 76 5.858 -13.696 -1.764 1.00 10.00 C ATOM 1088 C VAL A 76 7.075 -13.837 -2.680 1.00 10.00 C ATOM 1089 O VAL A 76 8.037 -14.523 -2.326 1.00 10.00 O ATOM 1090 CB VAL A 76 5.971 -12.452 -0.861 1.00 10.00 C ATOM 1091 CG1 VAL A 76 4.666 -12.211 -0.095 1.00 10.00 C ATOM 1092 CG2 VAL A 76 7.130 -12.549 0.143 1.00 10.00 C ATOM 0 H VAL A 76 6.570 -15.255 -0.581 1.00 10.00 H new ATOM 0 HA VAL A 76 4.976 -13.565 -2.391 1.00 10.00 H new ATOM 0 HB VAL A 76 6.172 -11.614 -1.528 1.00 10.00 H new ATOM 0 HG11 VAL A 76 4.772 -11.328 0.535 1.00 10.00 H new ATOM 0 HG12 VAL A 76 3.852 -12.057 -0.803 1.00 10.00 H new ATOM 0 HG13 VAL A 76 4.445 -13.077 0.529 1.00 10.00 H new ATOM 0 HG21 VAL A 76 7.161 -11.645 0.752 1.00 10.00 H new ATOM 0 HG22 VAL A 76 6.982 -13.416 0.787 1.00 10.00 H new ATOM 0 HG23 VAL A 76 8.071 -12.655 -0.397 1.00 10.00 H new ATOM 1102 N GLU A 77 7.033 -13.185 -3.851 1.00 10.00 N ATOM 1103 CA GLU A 77 8.107 -13.199 -4.840 1.00 10.00 C ATOM 1104 C GLU A 77 9.249 -12.303 -4.361 1.00 10.00 C ATOM 1105 O GLU A 77 9.488 -11.217 -4.898 1.00 10.00 O ATOM 1106 CB GLU A 77 7.564 -12.795 -6.219 1.00 10.00 C ATOM 1107 CG GLU A 77 8.545 -13.206 -7.325 1.00 10.00 C ATOM 1108 CD GLU A 77 8.112 -12.679 -8.689 1.00 10.00 C ATOM 1109 OE1 GLU A 77 8.235 -11.452 -8.887 1.00 10.00 O ATOM 1110 OE2 GLU A 77 7.658 -13.514 -9.501 1.00 10.00 O ATOM 0 H GLU A 77 6.232 -12.623 -4.138 1.00 10.00 H new ATOM 0 HA GLU A 77 8.508 -14.207 -4.949 1.00 10.00 H new ATOM 0 HB2 GLU A 77 6.597 -13.268 -6.388 1.00 10.00 H new ATOM 0 HB3 GLU A 77 7.402 -11.718 -6.251 1.00 10.00 H new ATOM 0 HG2 GLU A 77 9.539 -12.828 -7.088 1.00 10.00 H new ATOM 0 HG3 GLU A 77 8.618 -14.293 -7.361 1.00 10.00 H new ATOM 1117 N ARG A 78 9.950 -12.785 -3.336 1.00 10.00 N ATOM 1118 CA ARG A 78 11.062 -12.138 -2.657 1.00 10.00 C ATOM 1119 C ARG A 78 12.283 -12.130 -3.590 1.00 10.00 C ATOM 1120 O ARG A 78 13.281 -12.816 -3.381 1.00 10.00 O ATOM 1121 CB ARG A 78 11.279 -12.890 -1.336 1.00 10.00 C ATOM 1122 CG ARG A 78 11.808 -12.047 -0.166 1.00 10.00 C ATOM 1123 CD ARG A 78 13.153 -11.370 -0.443 1.00 10.00 C ATOM 1124 NE ARG A 78 12.978 -10.162 -1.263 1.00 10.00 N ATOM 1125 CZ ARG A 78 13.873 -9.683 -2.136 1.00 10.00 C ATOM 1126 NH1 ARG A 78 15.101 -10.207 -2.217 1.00 10.00 N ATOM 1127 NH2 ARG A 78 13.524 -8.691 -2.958 1.00 10.00 N ATOM 0 H ARG A 78 9.739 -13.699 -2.934 1.00 10.00 H new ATOM 0 HA ARG A 78 10.869 -11.092 -2.417 1.00 10.00 H new ATOM 0 HB2 ARG A 78 10.333 -13.340 -1.036 1.00 10.00 H new ATOM 0 HB3 ARG A 78 11.978 -13.707 -1.515 1.00 10.00 H new ATOM 0 HG2 ARG A 78 11.072 -11.282 0.079 1.00 10.00 H new ATOM 0 HG3 ARG A 78 11.908 -12.685 0.712 1.00 10.00 H new ATOM 0 HD2 ARG A 78 13.632 -11.107 0.500 1.00 10.00 H new ATOM 0 HD3 ARG A 78 13.816 -12.068 -0.954 1.00 10.00 H new ATOM 0 HE ARG A 78 12.104 -9.647 -1.158 1.00 10.00 H new ATOM 0 HH11 ARG A 78 15.366 -10.982 -1.609 1.00 10.00 H new ATOM 0 HH12 ARG A 78 15.772 -9.832 -2.887 1.00 10.00 H new ATOM 0 HH21 ARG A 78 12.581 -8.303 -2.918 1.00 10.00 H new ATOM 0 HH22 ARG A 78 14.200 -8.320 -3.626 1.00 10.00 H new ATOM 1141 N SER A 79 12.164 -11.366 -4.674 1.00 10.00 N ATOM 1142 CA SER A 79 13.132 -11.259 -5.749 1.00 10.00 C ATOM 1143 C SER A 79 14.485 -10.762 -5.244 1.00 10.00 C ATOM 1144 O SER A 79 14.754 -9.559 -5.245 1.00 10.00 O ATOM 1145 CB SER A 79 12.537 -10.357 -6.836 1.00 10.00 C ATOM 1146 OG SER A 79 11.272 -10.864 -7.239 1.00 10.00 O ATOM 0 H SER A 79 11.346 -10.777 -4.828 1.00 10.00 H new ATOM 0 HA SER A 79 13.331 -12.243 -6.174 1.00 10.00 H new ATOM 0 HB2 SER A 79 12.429 -9.340 -6.459 1.00 10.00 H new ATOM 0 HB3 SER A 79 13.210 -10.310 -7.692 1.00 10.00 H new ATOM 0 HG SER A 79 10.609 -10.143 -7.219 1.00 10.00 H new TER 1152 SER A 79 HETATM 1153 ZN ZN A 80 2.189 -13.492 5.392 1.00 10.00 ZN HETATM 1154 ZN ZN A 81 -11.098 -28.063 3.574 1.00 10.00 ZN