USER MOD reduce.3.24.130724 H: found=0, std=0, add=752, rem=0, adj=19 USER MOD reduce.3.24.130724 removed 750 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 30 GLN : amide:sc= 0.231 K(o=2.3,f=-9.5!) USER MOD Set 1.2: A 41 THR OG1 : rot 180:sc= -0.0193 USER MOD Set 1.3: A 42 LYS NZ :NH3+ 160:sc= 2.09 (180deg=0.466) USER MOD Single : A 0 SER N :NH3+ -129:sc= -0.436! (180deg=-1.83) USER MOD Single : A 0 SER OG : rot 38:sc= 0.174 USER MOD Single : A 9 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 11 LYS NZ :NH3+ -159:sc= 1.25 (180deg=1.13) USER MOD Single : A 13 LYS NZ :NH3+ -179:sc= 0.322 (180deg=0.307) USER MOD Single : A 19 ASN : amide:sc= -0.0298 K(o=-0.03,f=-2.5!) USER MOD Single : A 23 LYS NZ :NH3+ 131:sc= 1.25 (180deg=0.268) USER MOD Single : A 28 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 34 LYS NZ :NH3+ 134:sc= -0.127 (180deg=-0.607) USER MOD Single : A 36 LYS NZ :NH3+ 146:sc= 1.21 (180deg=0.878) USER MOD Single : A 37 TYR OH : rot 30:sc= -2.25! USER MOD Single : A 45 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 48 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 49 THR OG1 : rot -146:sc= -0.738 USER MOD Single : A 50 SER OG : rot -15:sc= 0.842 USER MOD Single : A 53 LYS NZ :NH3+ 169:sc=-0.00431 (180deg=-0.105) USER MOD Single : A 56 TYR OH : rot -38:sc= 0.0321 USER MOD Single : A 57 TYR OH : rot 180:sc= 0 USER MOD Single : A 59 SER OG : rot 180:sc= 0 USER MOD Single : A 67 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 69 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 71 LYS NZ :NH3+ -111:sc= 1.08 (180deg=-0.0883) USER MOD Single : A 74 LYS NZ :NH3+ -101:sc= -0.805! (180deg=-1.99!) USER MOD Single : A 80 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 81 MET CE :methyl 147:sc= -0.417 (180deg=-2.58!) USER MOD Single : A 85 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD ----------------------------------------------------------------- ATOM 10 N SER A 0 8.392 6.560 2.439 1.00 0.00 N ATOM 11 CA SER A 0 8.398 5.162 2.837 1.00 0.00 C ATOM 12 C SER A 0 9.589 4.876 3.749 1.00 0.00 C ATOM 13 O SER A 0 10.628 5.529 3.660 1.00 0.00 O ATOM 14 CB SER A 0 8.430 4.245 1.605 1.00 0.00 C ATOM 15 OG SER A 0 8.482 2.879 1.982 1.00 0.00 O ATOM 0 H1 SER A 0 7.454 6.969 2.622 1.00 0.00 H new ATOM 0 H2 SER A 0 9.109 7.079 2.985 1.00 0.00 H new ATOM 0 H3 SER A 0 8.609 6.633 1.425 1.00 0.00 H new ATOM 0 HA SER A 0 7.480 4.957 3.388 1.00 0.00 H new ATOM 0 HB2 SER A 0 7.545 4.423 0.994 1.00 0.00 H new ATOM 0 HB3 SER A 0 9.296 4.488 0.990 1.00 0.00 H new ATOM 0 HG SER A 0 7.924 2.737 2.775 1.00 0.00 H new ATOM 21 N LEU A 1 9.424 3.899 4.622 1.00 0.00 N ATOM 22 CA LEU A 1 10.446 3.545 5.593 1.00 0.00 C ATOM 23 C LEU A 1 10.897 2.107 5.362 1.00 0.00 C ATOM 24 O LEU A 1 10.995 1.662 4.217 1.00 0.00 O ATOM 25 CB LEU A 1 9.875 3.675 7.009 1.00 0.00 C ATOM 26 CG LEU A 1 9.147 4.985 7.316 1.00 0.00 C ATOM 27 CD1 LEU A 1 8.459 4.892 8.669 1.00 0.00 C ATOM 28 CD2 LEU A 1 10.110 6.164 7.274 1.00 0.00 C ATOM 0 H LEU A 1 8.580 3.329 4.679 1.00 0.00 H new ATOM 0 HA LEU A 1 11.297 4.216 5.479 1.00 0.00 H new ATOM 0 HB2 LEU A 1 9.184 2.849 7.179 1.00 0.00 H new ATOM 0 HB3 LEU A 1 10.692 3.560 7.722 1.00 0.00 H new ATOM 0 HG LEU A 1 8.388 5.151 6.551 1.00 0.00 H new ATOM 0 HD11 LEU A 1 7.943 5.829 8.880 1.00 0.00 H new ATOM 0 HD12 LEU A 1 7.737 4.075 8.655 1.00 0.00 H new ATOM 0 HD13 LEU A 1 9.203 4.705 9.443 1.00 0.00 H new ATOM 0 HD21 LEU A 1 9.569 7.084 7.495 1.00 0.00 H new ATOM 0 HD22 LEU A 1 10.896 6.018 8.015 1.00 0.00 H new ATOM 0 HD23 LEU A 1 10.555 6.235 6.282 1.00 0.00 H new ATOM 40 N ILE A 2 11.199 1.415 6.463 1.00 0.00 N ATOM 41 CA ILE A 2 11.438 -0.032 6.482 1.00 0.00 C ATOM 42 C ILE A 2 12.863 -0.398 6.041 1.00 0.00 C ATOM 43 O ILE A 2 13.389 -1.435 6.442 1.00 0.00 O ATOM 44 CB ILE A 2 10.366 -0.811 5.661 1.00 0.00 C ATOM 45 CG1 ILE A 2 9.851 -2.008 6.460 1.00 0.00 C ATOM 46 CG2 ILE A 2 10.888 -1.280 4.312 1.00 0.00 C ATOM 47 CD1 ILE A 2 9.013 -1.620 7.656 1.00 0.00 C ATOM 0 H ILE A 2 11.286 1.850 7.381 1.00 0.00 H new ATOM 0 HA ILE A 2 11.341 -0.345 7.522 1.00 0.00 H new ATOM 0 HB ILE A 2 9.549 -0.115 5.470 1.00 0.00 H new ATOM 0 HG12 ILE A 2 9.259 -2.645 5.803 1.00 0.00 H new ATOM 0 HG13 ILE A 2 10.701 -2.601 6.799 1.00 0.00 H new ATOM 0 HG21 ILE A 2 10.100 -1.816 3.783 1.00 0.00 H new ATOM 0 HG22 ILE A 2 11.199 -0.418 3.722 1.00 0.00 H new ATOM 0 HG23 ILE A 2 11.740 -1.943 4.462 1.00 0.00 H new ATOM 0 HD11 ILE A 2 8.682 -2.519 8.175 1.00 0.00 H new ATOM 0 HD12 ILE A 2 9.608 -1.008 8.334 1.00 0.00 H new ATOM 0 HD13 ILE A 2 8.144 -1.053 7.323 1.00 0.00 H new ATOM 59 N LEU A 3 13.493 0.455 5.241 1.00 0.00 N ATOM 60 CA LEU A 3 14.877 0.231 4.824 1.00 0.00 C ATOM 61 C LEU A 3 15.745 1.421 5.188 1.00 0.00 C ATOM 62 O LEU A 3 15.243 2.507 5.470 1.00 0.00 O ATOM 63 CB LEU A 3 14.978 -0.031 3.320 1.00 0.00 C ATOM 64 CG LEU A 3 14.306 -1.310 2.816 1.00 0.00 C ATOM 65 CD1 LEU A 3 14.701 -1.563 1.373 1.00 0.00 C ATOM 66 CD2 LEU A 3 14.690 -2.504 3.671 1.00 0.00 C ATOM 0 H LEU A 3 13.071 1.306 4.868 1.00 0.00 H new ATOM 0 HA LEU A 3 15.233 -0.653 5.353 1.00 0.00 H new ATOM 0 HB2 LEU A 3 14.541 0.817 2.793 1.00 0.00 H new ATOM 0 HB3 LEU A 3 16.033 -0.067 3.047 1.00 0.00 H new ATOM 0 HG LEU A 3 13.226 -1.177 2.882 1.00 0.00 H new ATOM 0 HD11 LEU A 3 14.220 -2.475 1.019 1.00 0.00 H new ATOM 0 HD12 LEU A 3 14.384 -0.722 0.756 1.00 0.00 H new ATOM 0 HD13 LEU A 3 15.783 -1.674 1.306 1.00 0.00 H new ATOM 0 HD21 LEU A 3 14.198 -3.398 3.289 1.00 0.00 H new ATOM 0 HD22 LEU A 3 15.771 -2.643 3.638 1.00 0.00 H new ATOM 0 HD23 LEU A 3 14.378 -2.330 4.701 1.00 0.00 H new ATOM 78 N ASP A 4 17.046 1.195 5.206 1.00 0.00 N ATOM 79 CA ASP A 4 18.010 2.268 5.374 1.00 0.00 C ATOM 80 C ASP A 4 18.940 2.272 4.173 1.00 0.00 C ATOM 81 O ASP A 4 20.031 1.701 4.216 1.00 0.00 O ATOM 82 CB ASP A 4 18.808 2.091 6.669 1.00 0.00 C ATOM 83 CG ASP A 4 19.752 3.248 6.945 1.00 0.00 C ATOM 84 OD1 ASP A 4 19.328 4.219 7.604 1.00 0.00 O ATOM 85 OD2 ASP A 4 20.926 3.188 6.521 1.00 0.00 O ATOM 0 H ASP A 4 17.462 0.269 5.105 1.00 0.00 H new ATOM 0 HA ASP A 4 17.485 3.221 5.442 1.00 0.00 H new ATOM 0 HB2 ASP A 4 18.116 1.986 7.505 1.00 0.00 H new ATOM 0 HB3 ASP A 4 19.382 1.166 6.612 1.00 0.00 H new ATOM 90 N GLY A 5 18.476 2.868 3.085 1.00 0.00 N ATOM 91 CA GLY A 5 19.219 2.822 1.846 1.00 0.00 C ATOM 92 C GLY A 5 19.345 1.402 1.329 1.00 0.00 C ATOM 93 O GLY A 5 20.423 0.992 0.893 1.00 0.00 O ATOM 0 H GLY A 5 17.597 3.383 3.039 1.00 0.00 H new ATOM 0 HA2 GLY A 5 18.722 3.440 1.099 1.00 0.00 H new ATOM 0 HA3 GLY A 5 20.212 3.244 2.000 1.00 0.00 H new ATOM 97 N ASP A 6 18.230 0.663 1.388 1.00 0.00 N ATOM 98 CA ASP A 6 18.182 -0.747 0.982 1.00 0.00 C ATOM 99 C ASP A 6 19.004 -1.640 1.916 1.00 0.00 C ATOM 100 O ASP A 6 20.219 -1.757 1.779 1.00 0.00 O ATOM 101 CB ASP A 6 18.646 -0.927 -0.469 1.00 0.00 C ATOM 102 CG ASP A 6 18.591 -2.373 -0.923 1.00 0.00 C ATOM 103 OD1 ASP A 6 17.478 -2.904 -1.102 1.00 0.00 O ATOM 104 OD2 ASP A 6 19.660 -2.987 -1.120 1.00 0.00 O ATOM 0 H ASP A 6 17.336 1.026 1.719 1.00 0.00 H new ATOM 0 HA ASP A 6 17.140 -1.058 1.053 1.00 0.00 H new ATOM 0 HB2 ASP A 6 18.021 -0.320 -1.124 1.00 0.00 H new ATOM 0 HB3 ASP A 6 19.666 -0.557 -0.569 1.00 0.00 H new ATOM 109 N LEU A 7 18.318 -2.253 2.877 1.00 0.00 N ATOM 110 CA LEU A 7 18.924 -3.209 3.807 1.00 0.00 C ATOM 111 C LEU A 7 17.871 -4.235 4.215 1.00 0.00 C ATOM 112 O LEU A 7 17.033 -3.961 5.070 1.00 0.00 O ATOM 113 CB LEU A 7 19.469 -2.504 5.058 1.00 0.00 C ATOM 114 CG LEU A 7 20.715 -1.636 4.848 1.00 0.00 C ATOM 115 CD1 LEU A 7 21.109 -0.952 6.147 1.00 0.00 C ATOM 116 CD2 LEU A 7 21.871 -2.473 4.322 1.00 0.00 C ATOM 0 H LEU A 7 17.322 -2.102 3.035 1.00 0.00 H new ATOM 0 HA LEU A 7 19.760 -3.699 3.308 1.00 0.00 H new ATOM 0 HB2 LEU A 7 18.679 -1.877 5.471 1.00 0.00 H new ATOM 0 HB3 LEU A 7 19.700 -3.262 5.807 1.00 0.00 H new ATOM 0 HG LEU A 7 20.478 -0.872 4.108 1.00 0.00 H new ATOM 0 HD11 LEU A 7 21.995 -0.339 5.981 1.00 0.00 H new ATOM 0 HD12 LEU A 7 20.289 -0.320 6.488 1.00 0.00 H new ATOM 0 HD13 LEU A 7 21.325 -1.706 6.904 1.00 0.00 H new ATOM 0 HD21 LEU A 7 22.745 -1.838 4.180 1.00 0.00 H new ATOM 0 HD22 LEU A 7 22.107 -3.259 5.039 1.00 0.00 H new ATOM 0 HD23 LEU A 7 21.591 -2.923 3.369 1.00 0.00 H new ATOM 128 N LEU A 8 17.906 -5.407 3.599 1.00 0.00 N ATOM 129 CA LEU A 8 16.799 -6.353 3.717 1.00 0.00 C ATOM 130 C LEU A 8 17.175 -7.611 4.496 1.00 0.00 C ATOM 131 O LEU A 8 16.657 -7.836 5.591 1.00 0.00 O ATOM 132 CB LEU A 8 16.311 -6.722 2.322 1.00 0.00 C ATOM 133 CG LEU A 8 15.118 -7.671 2.264 1.00 0.00 C ATOM 134 CD1 LEU A 8 13.916 -7.092 2.995 1.00 0.00 C ATOM 135 CD2 LEU A 8 14.778 -7.953 0.820 1.00 0.00 C ATOM 0 H LEU A 8 18.680 -5.727 3.017 1.00 0.00 H new ATOM 0 HA LEU A 8 16.004 -5.866 4.282 1.00 0.00 H new ATOM 0 HB2 LEU A 8 16.047 -5.805 1.796 1.00 0.00 H new ATOM 0 HB3 LEU A 8 17.139 -7.176 1.777 1.00 0.00 H new ATOM 0 HG LEU A 8 15.384 -8.602 2.764 1.00 0.00 H new ATOM 0 HD11 LEU A 8 13.082 -7.792 2.936 1.00 0.00 H new ATOM 0 HD12 LEU A 8 14.173 -6.922 4.040 1.00 0.00 H new ATOM 0 HD13 LEU A 8 13.630 -6.147 2.533 1.00 0.00 H new ATOM 0 HD21 LEU A 8 13.926 -8.631 0.773 1.00 0.00 H new ATOM 0 HD22 LEU A 8 14.527 -7.019 0.316 1.00 0.00 H new ATOM 0 HD23 LEU A 8 15.635 -8.412 0.327 1.00 0.00 H new ATOM 147 N LYS A 9 18.052 -8.434 3.911 1.00 0.00 N ATOM 148 CA LYS A 9 18.518 -9.684 4.531 1.00 0.00 C ATOM 149 C LYS A 9 17.467 -10.797 4.432 1.00 0.00 C ATOM 150 O LYS A 9 17.680 -11.795 3.736 1.00 0.00 O ATOM 151 CB LYS A 9 18.933 -9.451 5.990 1.00 0.00 C ATOM 152 CG LYS A 9 20.101 -8.491 6.131 1.00 0.00 C ATOM 153 CD LYS A 9 20.196 -7.915 7.535 1.00 0.00 C ATOM 154 CE LYS A 9 19.052 -6.951 7.821 1.00 0.00 C ATOM 155 NZ LYS A 9 19.222 -6.255 9.123 1.00 0.00 N ATOM 0 H LYS A 9 18.460 -8.254 2.994 1.00 0.00 H new ATOM 0 HA LYS A 9 19.395 -10.015 3.974 1.00 0.00 H new ATOM 0 HB2 LYS A 9 18.081 -9.061 6.546 1.00 0.00 H new ATOM 0 HB3 LYS A 9 19.199 -10.406 6.443 1.00 0.00 H new ATOM 0 HG2 LYS A 9 21.028 -9.010 5.888 1.00 0.00 H new ATOM 0 HG3 LYS A 9 19.992 -7.679 5.412 1.00 0.00 H new ATOM 0 HD2 LYS A 9 20.181 -8.725 8.264 1.00 0.00 H new ATOM 0 HD3 LYS A 9 21.148 -7.397 7.653 1.00 0.00 H new ATOM 0 HE2 LYS A 9 18.991 -6.213 7.021 1.00 0.00 H new ATOM 0 HE3 LYS A 9 18.109 -7.498 7.823 1.00 0.00 H new ATOM 0 HZ1 LYS A 9 18.422 -5.609 9.278 1.00 0.00 H new ATOM 0 HZ2 LYS A 9 19.254 -6.957 9.890 1.00 0.00 H new ATOM 0 HZ3 LYS A 9 20.109 -5.712 9.113 1.00 0.00 H new ATOM 169 N ASP A 10 16.338 -10.634 5.113 1.00 0.00 N ATOM 170 CA ASP A 10 15.267 -11.633 5.065 1.00 0.00 C ATOM 171 C ASP A 10 13.958 -10.979 4.658 1.00 0.00 C ATOM 172 O ASP A 10 13.602 -9.922 5.178 1.00 0.00 O ATOM 173 CB ASP A 10 15.099 -12.339 6.412 1.00 0.00 C ATOM 174 CG ASP A 10 14.048 -13.433 6.352 1.00 0.00 C ATOM 175 OD1 ASP A 10 13.081 -13.390 7.143 1.00 0.00 O ATOM 176 OD2 ASP A 10 14.183 -14.342 5.507 1.00 0.00 O ATOM 0 H ASP A 10 16.138 -9.826 5.703 1.00 0.00 H new ATOM 0 HA ASP A 10 15.544 -12.382 4.323 1.00 0.00 H new ATOM 0 HB2 ASP A 10 16.053 -12.769 6.718 1.00 0.00 H new ATOM 0 HB3 ASP A 10 14.820 -11.609 7.172 1.00 0.00 H new ATOM 181 N LYS A 11 13.244 -11.610 3.732 1.00 0.00 N ATOM 182 CA LYS A 11 12.056 -11.001 3.148 1.00 0.00 C ATOM 183 C LYS A 11 11.014 -12.037 2.733 1.00 0.00 C ATOM 184 O LYS A 11 9.982 -11.687 2.161 1.00 0.00 O ATOM 185 CB LYS A 11 12.473 -10.185 1.924 1.00 0.00 C ATOM 186 CG LYS A 11 13.144 -11.017 0.835 1.00 0.00 C ATOM 187 CD LYS A 11 12.155 -11.459 -0.232 1.00 0.00 C ATOM 188 CE LYS A 11 12.687 -12.634 -1.035 1.00 0.00 C ATOM 189 NZ LYS A 11 11.746 -13.053 -2.104 1.00 0.00 N ATOM 0 H LYS A 11 13.466 -12.538 3.372 1.00 0.00 H new ATOM 0 HA LYS A 11 11.598 -10.366 3.906 1.00 0.00 H new ATOM 0 HB2 LYS A 11 11.593 -9.697 1.506 1.00 0.00 H new ATOM 0 HB3 LYS A 11 13.156 -9.396 2.239 1.00 0.00 H new ATOM 0 HG2 LYS A 11 13.941 -10.435 0.372 1.00 0.00 H new ATOM 0 HG3 LYS A 11 13.610 -11.894 1.284 1.00 0.00 H new ATOM 0 HD2 LYS A 11 11.211 -11.736 0.238 1.00 0.00 H new ATOM 0 HD3 LYS A 11 11.945 -10.625 -0.902 1.00 0.00 H new ATOM 0 HE2 LYS A 11 13.644 -12.364 -1.481 1.00 0.00 H new ATOM 0 HE3 LYS A 11 12.873 -13.475 -0.367 1.00 0.00 H new ATOM 0 HZ1 LYS A 11 11.953 -14.033 -2.385 1.00 0.00 H new ATOM 0 HZ2 LYS A 11 10.770 -12.993 -1.750 1.00 0.00 H new ATOM 0 HZ3 LYS A 11 11.855 -12.427 -2.927 1.00 0.00 H new ATOM 203 N LEU A 12 11.268 -13.305 3.008 1.00 0.00 N ATOM 204 CA LEU A 12 10.418 -14.351 2.457 1.00 0.00 C ATOM 205 C LEU A 12 9.524 -14.981 3.515 1.00 0.00 C ATOM 206 O LEU A 12 9.985 -15.400 4.580 1.00 0.00 O ATOM 207 CB LEU A 12 11.241 -15.436 1.744 1.00 0.00 C ATOM 208 CG LEU A 12 12.277 -16.168 2.602 1.00 0.00 C ATOM 209 CD1 LEU A 12 12.420 -17.611 2.143 1.00 0.00 C ATOM 210 CD2 LEU A 12 13.618 -15.454 2.553 1.00 0.00 C ATOM 0 H LEU A 12 12.036 -13.632 3.594 1.00 0.00 H new ATOM 0 HA LEU A 12 9.776 -13.866 1.721 1.00 0.00 H new ATOM 0 HB2 LEU A 12 10.552 -16.174 1.333 1.00 0.00 H new ATOM 0 HB3 LEU A 12 11.757 -14.977 0.901 1.00 0.00 H new ATOM 0 HG LEU A 12 11.931 -16.167 3.635 1.00 0.00 H new ATOM 0 HD11 LEU A 12 13.160 -18.118 2.762 1.00 0.00 H new ATOM 0 HD12 LEU A 12 11.460 -18.119 2.235 1.00 0.00 H new ATOM 0 HD13 LEU A 12 12.743 -17.631 1.102 1.00 0.00 H new ATOM 0 HD21 LEU A 12 14.339 -15.991 3.169 1.00 0.00 H new ATOM 0 HD22 LEU A 12 13.975 -15.420 1.524 1.00 0.00 H new ATOM 0 HD23 LEU A 12 13.503 -14.438 2.931 1.00 0.00 H new ATOM 222 N LYS A 13 8.236 -15.032 3.210 1.00 0.00 N ATOM 223 CA LYS A 13 7.270 -15.728 4.041 1.00 0.00 C ATOM 224 C LYS A 13 6.335 -16.522 3.136 1.00 0.00 C ATOM 225 O LYS A 13 6.321 -16.309 1.922 1.00 0.00 O ATOM 226 CB LYS A 13 6.460 -14.739 4.899 1.00 0.00 C ATOM 227 CG LYS A 13 5.765 -15.398 6.086 1.00 0.00 C ATOM 228 CD LYS A 13 4.672 -14.528 6.684 1.00 0.00 C ATOM 229 CE LYS A 13 4.025 -15.224 7.873 1.00 0.00 C ATOM 230 NZ LYS A 13 2.740 -14.596 8.277 1.00 0.00 N ATOM 0 H LYS A 13 7.834 -14.593 2.382 1.00 0.00 H new ATOM 0 HA LYS A 13 7.798 -16.398 4.719 1.00 0.00 H new ATOM 0 HB2 LYS A 13 7.125 -13.957 5.265 1.00 0.00 H new ATOM 0 HB3 LYS A 13 5.712 -14.254 4.272 1.00 0.00 H new ATOM 0 HG2 LYS A 13 5.334 -16.348 5.768 1.00 0.00 H new ATOM 0 HG3 LYS A 13 6.504 -15.625 6.854 1.00 0.00 H new ATOM 0 HD2 LYS A 13 5.092 -13.573 6.999 1.00 0.00 H new ATOM 0 HD3 LYS A 13 3.918 -14.311 5.928 1.00 0.00 H new ATOM 0 HE2 LYS A 13 3.851 -16.271 7.625 1.00 0.00 H new ATOM 0 HE3 LYS A 13 4.714 -15.207 8.717 1.00 0.00 H new ATOM 0 HZ1 LYS A 13 2.352 -15.099 9.101 1.00 0.00 H new ATOM 0 HZ2 LYS A 13 2.904 -13.599 8.525 1.00 0.00 H new ATOM 0 HZ3 LYS A 13 2.064 -14.650 7.488 1.00 0.00 H new ATOM 244 N LEU A 14 5.579 -17.441 3.722 1.00 0.00 N ATOM 245 CA LEU A 14 4.579 -18.206 3.003 1.00 0.00 C ATOM 246 C LEU A 14 3.586 -17.288 2.283 1.00 0.00 C ATOM 247 O LEU A 14 3.453 -16.114 2.642 1.00 0.00 O ATOM 248 CB LEU A 14 3.843 -19.091 3.999 1.00 0.00 C ATOM 249 CG LEU A 14 4.729 -20.051 4.791 1.00 0.00 C ATOM 250 CD1 LEU A 14 3.928 -20.713 5.896 1.00 0.00 C ATOM 251 CD2 LEU A 14 5.349 -21.092 3.871 1.00 0.00 C ATOM 0 H LEU A 14 5.645 -17.675 4.713 1.00 0.00 H new ATOM 0 HA LEU A 14 5.072 -18.814 2.244 1.00 0.00 H new ATOM 0 HB2 LEU A 14 3.307 -18.453 4.701 1.00 0.00 H new ATOM 0 HB3 LEU A 14 3.094 -19.672 3.461 1.00 0.00 H new ATOM 0 HG LEU A 14 5.539 -19.482 5.247 1.00 0.00 H new ATOM 0 HD11 LEU A 14 4.571 -21.395 6.453 1.00 0.00 H new ATOM 0 HD12 LEU A 14 3.538 -19.950 6.570 1.00 0.00 H new ATOM 0 HD13 LEU A 14 3.099 -21.271 5.460 1.00 0.00 H new ATOM 0 HD21 LEU A 14 5.976 -21.766 4.455 1.00 0.00 H new ATOM 0 HD22 LEU A 14 4.559 -21.663 3.383 1.00 0.00 H new ATOM 0 HD23 LEU A 14 5.957 -20.594 3.115 1.00 0.00 H new ATOM 263 N PRO A 15 2.889 -17.817 1.255 1.00 0.00 N ATOM 264 CA PRO A 15 1.906 -17.062 0.465 1.00 0.00 C ATOM 265 C PRO A 15 0.985 -16.189 1.313 1.00 0.00 C ATOM 266 O PRO A 15 0.512 -16.619 2.367 1.00 0.00 O ATOM 267 CB PRO A 15 1.114 -18.166 -0.224 1.00 0.00 C ATOM 268 CG PRO A 15 2.118 -19.232 -0.442 1.00 0.00 C ATOM 269 CD PRO A 15 3.010 -19.207 0.770 1.00 0.00 C ATOM 0 HA PRO A 15 2.387 -16.357 -0.213 1.00 0.00 H new ATOM 0 HB2 PRO A 15 0.288 -18.514 0.397 1.00 0.00 H new ATOM 0 HB3 PRO A 15 0.683 -17.823 -1.165 1.00 0.00 H new ATOM 0 HG2 PRO A 15 1.638 -20.204 -0.555 1.00 0.00 H new ATOM 0 HG3 PRO A 15 2.690 -19.051 -1.352 1.00 0.00 H new ATOM 0 HD2 PRO A 15 2.685 -19.925 1.523 1.00 0.00 H new ATOM 0 HD3 PRO A 15 4.040 -19.456 0.516 1.00 0.00 H new ATOM 277 N VAL A 16 0.738 -14.980 0.805 1.00 0.00 N ATOM 278 CA VAL A 16 -0.033 -13.925 1.475 1.00 0.00 C ATOM 279 C VAL A 16 0.314 -13.760 2.955 1.00 0.00 C ATOM 280 O VAL A 16 -0.107 -14.515 3.834 1.00 0.00 O ATOM 281 CB VAL A 16 -1.561 -14.041 1.254 1.00 0.00 C ATOM 282 CG1 VAL A 16 -2.128 -15.341 1.797 1.00 0.00 C ATOM 283 CG2 VAL A 16 -2.284 -12.835 1.843 1.00 0.00 C ATOM 0 H VAL A 16 1.079 -14.697 -0.114 1.00 0.00 H new ATOM 0 HA VAL A 16 0.282 -13.006 0.980 1.00 0.00 H new ATOM 0 HB VAL A 16 -1.730 -14.053 0.177 1.00 0.00 H new ATOM 0 HG11 VAL A 16 -3.203 -15.373 1.617 1.00 0.00 H new ATOM 0 HG12 VAL A 16 -1.651 -16.183 1.296 1.00 0.00 H new ATOM 0 HG13 VAL A 16 -1.938 -15.401 2.869 1.00 0.00 H new ATOM 0 HG21 VAL A 16 -3.356 -12.937 1.677 1.00 0.00 H new ATOM 0 HG22 VAL A 16 -2.086 -12.779 2.914 1.00 0.00 H new ATOM 0 HG23 VAL A 16 -1.927 -11.925 1.360 1.00 0.00 H new ATOM 293 N ILE A 17 1.092 -12.730 3.195 1.00 0.00 N ATOM 294 CA ILE A 17 1.511 -12.332 4.522 1.00 0.00 C ATOM 295 C ILE A 17 0.338 -11.658 5.237 1.00 0.00 C ATOM 296 O ILE A 17 -0.623 -11.244 4.586 1.00 0.00 O ATOM 297 CB ILE A 17 2.714 -11.357 4.424 1.00 0.00 C ATOM 298 CG1 ILE A 17 3.792 -11.944 3.509 1.00 0.00 C ATOM 299 CG2 ILE A 17 3.307 -11.064 5.790 1.00 0.00 C ATOM 300 CD1 ILE A 17 4.980 -11.029 3.296 1.00 0.00 C ATOM 0 H ILE A 17 1.461 -12.131 2.457 1.00 0.00 H new ATOM 0 HA ILE A 17 1.821 -13.210 5.089 1.00 0.00 H new ATOM 0 HB ILE A 17 2.348 -10.419 4.005 1.00 0.00 H new ATOM 0 HG12 ILE A 17 4.142 -12.885 3.933 1.00 0.00 H new ATOM 0 HG13 ILE A 17 3.347 -12.176 2.542 1.00 0.00 H new ATOM 0 HG21 ILE A 17 4.147 -10.378 5.682 1.00 0.00 H new ATOM 0 HG22 ILE A 17 2.547 -10.610 6.427 1.00 0.00 H new ATOM 0 HG23 ILE A 17 3.653 -11.993 6.243 1.00 0.00 H new ATOM 0 HD11 ILE A 17 5.700 -11.515 2.637 1.00 0.00 H new ATOM 0 HD12 ILE A 17 4.644 -10.097 2.842 1.00 0.00 H new ATOM 0 HD13 ILE A 17 5.452 -10.816 4.255 1.00 0.00 H new ATOM 312 N ASP A 18 0.422 -11.558 6.562 1.00 0.00 N ATOM 313 CA ASP A 18 -0.648 -10.987 7.377 1.00 0.00 C ATOM 314 C ASP A 18 -1.099 -9.642 6.826 1.00 0.00 C ATOM 315 O ASP A 18 -0.272 -8.787 6.508 1.00 0.00 O ATOM 316 CB ASP A 18 -0.173 -10.796 8.820 1.00 0.00 C ATOM 317 CG ASP A 18 0.358 -12.070 9.441 1.00 0.00 C ATOM 318 OD1 ASP A 18 -0.391 -12.726 10.195 1.00 0.00 O ATOM 319 OD2 ASP A 18 1.528 -12.421 9.176 1.00 0.00 O ATOM 0 H ASP A 18 1.231 -11.869 7.099 1.00 0.00 H new ATOM 0 HA ASP A 18 -1.487 -11.682 7.352 1.00 0.00 H new ATOM 0 HB2 ASP A 18 0.607 -10.035 8.842 1.00 0.00 H new ATOM 0 HB3 ASP A 18 -1.001 -10.422 9.423 1.00 0.00 H new ATOM 324 N ASN A 19 -2.407 -9.453 6.720 1.00 0.00 N ATOM 325 CA ASN A 19 -2.958 -8.185 6.254 1.00 0.00 C ATOM 326 C ASN A 19 -2.613 -7.067 7.234 1.00 0.00 C ATOM 327 O ASN A 19 -2.617 -5.894 6.878 1.00 0.00 O ATOM 328 CB ASN A 19 -4.480 -8.277 6.050 1.00 0.00 C ATOM 329 CG ASN A 19 -5.268 -8.412 7.343 1.00 0.00 C ATOM 330 OD1 ASN A 19 -4.784 -8.962 8.334 1.00 0.00 O ATOM 331 ND2 ASN A 19 -6.496 -7.918 7.335 1.00 0.00 N ATOM 0 H ASN A 19 -3.106 -10.159 6.950 1.00 0.00 H new ATOM 0 HA ASN A 19 -2.508 -7.956 5.288 1.00 0.00 H new ATOM 0 HB2 ASN A 19 -4.820 -7.387 5.520 1.00 0.00 H new ATOM 0 HB3 ASN A 19 -4.700 -9.132 5.411 1.00 0.00 H new ATOM 0 HD21 ASN A 19 -7.078 -7.985 8.170 1.00 0.00 H new ATOM 0 HD22 ASN A 19 -6.860 -7.470 6.494 1.00 0.00 H new ATOM 338 N LEU A 20 -2.298 -7.450 8.466 1.00 0.00 N ATOM 339 CA LEU A 20 -1.850 -6.511 9.477 1.00 0.00 C ATOM 340 C LEU A 20 -0.466 -5.975 9.129 1.00 0.00 C ATOM 341 O LEU A 20 -0.139 -4.831 9.430 1.00 0.00 O ATOM 342 CB LEU A 20 -1.828 -7.196 10.844 1.00 0.00 C ATOM 343 CG LEU A 20 -1.156 -6.399 11.960 1.00 0.00 C ATOM 344 CD1 LEU A 20 -1.882 -5.083 12.199 1.00 0.00 C ATOM 345 CD2 LEU A 20 -1.095 -7.220 13.237 1.00 0.00 C ATOM 0 H LEU A 20 -2.347 -8.417 8.787 1.00 0.00 H new ATOM 0 HA LEU A 20 -2.543 -5.671 9.512 1.00 0.00 H new ATOM 0 HB2 LEU A 20 -2.854 -7.412 11.141 1.00 0.00 H new ATOM 0 HB3 LEU A 20 -1.317 -8.154 10.745 1.00 0.00 H new ATOM 0 HG LEU A 20 -0.137 -6.169 11.650 1.00 0.00 H new ATOM 0 HD11 LEU A 20 -1.385 -4.533 12.998 1.00 0.00 H new ATOM 0 HD12 LEU A 20 -1.867 -4.488 11.286 1.00 0.00 H new ATOM 0 HD13 LEU A 20 -2.915 -5.284 12.485 1.00 0.00 H new ATOM 0 HD21 LEU A 20 -0.613 -6.637 14.022 1.00 0.00 H new ATOM 0 HD22 LEU A 20 -2.106 -7.483 13.549 1.00 0.00 H new ATOM 0 HD23 LEU A 20 -0.522 -8.130 13.058 1.00 0.00 H new ATOM 357 N PHE A 21 0.338 -6.802 8.473 1.00 0.00 N ATOM 358 CA PHE A 21 1.680 -6.401 8.074 1.00 0.00 C ATOM 359 C PHE A 21 1.596 -5.334 6.987 1.00 0.00 C ATOM 360 O PHE A 21 2.349 -4.357 6.989 1.00 0.00 O ATOM 361 CB PHE A 21 2.466 -7.619 7.580 1.00 0.00 C ATOM 362 CG PHE A 21 3.929 -7.358 7.371 1.00 0.00 C ATOM 363 CD1 PHE A 21 4.453 -7.251 6.094 1.00 0.00 C ATOM 364 CD2 PHE A 21 4.781 -7.222 8.455 1.00 0.00 C ATOM 365 CE1 PHE A 21 5.799 -7.013 5.902 1.00 0.00 C ATOM 366 CE2 PHE A 21 6.128 -6.983 8.269 1.00 0.00 C ATOM 367 CZ PHE A 21 6.638 -6.879 6.990 1.00 0.00 C ATOM 0 H PHE A 21 0.084 -7.753 8.206 1.00 0.00 H new ATOM 0 HA PHE A 21 2.203 -5.982 8.933 1.00 0.00 H new ATOM 0 HB2 PHE A 21 2.351 -8.429 8.300 1.00 0.00 H new ATOM 0 HB3 PHE A 21 2.031 -7.963 6.642 1.00 0.00 H new ATOM 0 HD1 PHE A 21 3.802 -7.355 5.239 1.00 0.00 H new ATOM 0 HD2 PHE A 21 4.387 -7.304 9.457 1.00 0.00 H new ATOM 0 HE1 PHE A 21 6.196 -6.932 4.901 1.00 0.00 H new ATOM 0 HE2 PHE A 21 6.782 -6.878 9.122 1.00 0.00 H new ATOM 0 HZ PHE A 21 7.691 -6.693 6.841 1.00 0.00 H new ATOM 377 N GLY A 22 0.654 -5.519 6.070 1.00 0.00 N ATOM 378 CA GLY A 22 0.409 -4.520 5.052 1.00 0.00 C ATOM 379 C GLY A 22 -0.269 -3.302 5.635 1.00 0.00 C ATOM 380 O GLY A 22 -0.091 -2.181 5.155 1.00 0.00 O ATOM 0 H GLY A 22 0.056 -6.344 6.015 1.00 0.00 H new ATOM 0 HA2 GLY A 22 1.352 -4.228 4.590 1.00 0.00 H new ATOM 0 HA3 GLY A 22 -0.214 -4.944 4.264 1.00 0.00 H new ATOM 384 N LYS A 23 -1.049 -3.534 6.683 1.00 0.00 N ATOM 385 CA LYS A 23 -1.740 -2.470 7.389 1.00 0.00 C ATOM 386 C LYS A 23 -0.721 -1.590 8.090 1.00 0.00 C ATOM 387 O LYS A 23 -0.848 -0.376 8.113 1.00 0.00 O ATOM 388 CB LYS A 23 -2.702 -3.064 8.413 1.00 0.00 C ATOM 389 CG LYS A 23 -3.915 -2.196 8.701 1.00 0.00 C ATOM 390 CD LYS A 23 -4.846 -2.109 7.502 1.00 0.00 C ATOM 391 CE LYS A 23 -6.158 -1.434 7.868 1.00 0.00 C ATOM 392 NZ LYS A 23 -7.125 -1.429 6.738 1.00 0.00 N ATOM 0 H LYS A 23 -1.218 -4.465 7.065 1.00 0.00 H new ATOM 0 HA LYS A 23 -2.309 -1.873 6.677 1.00 0.00 H new ATOM 0 HB2 LYS A 23 -3.041 -4.036 8.056 1.00 0.00 H new ATOM 0 HB3 LYS A 23 -2.163 -3.237 9.344 1.00 0.00 H new ATOM 0 HG2 LYS A 23 -4.458 -2.603 9.554 1.00 0.00 H new ATOM 0 HG3 LYS A 23 -3.587 -1.195 8.980 1.00 0.00 H new ATOM 0 HD2 LYS A 23 -4.359 -1.552 6.701 1.00 0.00 H new ATOM 0 HD3 LYS A 23 -5.044 -3.110 7.120 1.00 0.00 H new ATOM 0 HE2 LYS A 23 -6.602 -1.947 8.721 1.00 0.00 H new ATOM 0 HE3 LYS A 23 -5.962 -0.408 8.180 1.00 0.00 H new ATOM 0 HZ1 LYS A 23 -8.050 -1.770 7.071 1.00 0.00 H new ATOM 0 HZ2 LYS A 23 -7.224 -0.461 6.370 1.00 0.00 H new ATOM 0 HZ3 LYS A 23 -6.778 -2.053 5.981 1.00 0.00 H new ATOM 406 N GLU A 24 0.286 -2.236 8.662 1.00 0.00 N ATOM 407 CA GLU A 24 1.424 -1.568 9.249 1.00 0.00 C ATOM 408 C GLU A 24 2.050 -0.599 8.258 1.00 0.00 C ATOM 409 O GLU A 24 2.266 0.574 8.565 1.00 0.00 O ATOM 410 CB GLU A 24 2.428 -2.629 9.649 1.00 0.00 C ATOM 411 CG GLU A 24 2.376 -2.990 11.113 1.00 0.00 C ATOM 412 CD GLU A 24 2.998 -1.928 11.992 1.00 0.00 C ATOM 413 OE1 GLU A 24 4.206 -2.034 12.294 1.00 0.00 O ATOM 414 OE2 GLU A 24 2.287 -0.983 12.382 1.00 0.00 O ATOM 0 H GLU A 24 0.329 -3.253 8.729 1.00 0.00 H new ATOM 0 HA GLU A 24 1.110 -0.992 10.119 1.00 0.00 H new ATOM 0 HB2 GLU A 24 2.251 -3.526 9.056 1.00 0.00 H new ATOM 0 HB3 GLU A 24 3.431 -2.278 9.405 1.00 0.00 H new ATOM 0 HG2 GLU A 24 1.338 -3.142 11.410 1.00 0.00 H new ATOM 0 HG3 GLU A 24 2.894 -3.936 11.270 1.00 0.00 H new ATOM 421 N LEU A 25 2.337 -1.112 7.069 1.00 0.00 N ATOM 422 CA LEU A 25 2.853 -0.304 5.975 1.00 0.00 C ATOM 423 C LEU A 25 1.941 0.891 5.705 1.00 0.00 C ATOM 424 O LEU A 25 2.324 2.041 5.921 1.00 0.00 O ATOM 425 CB LEU A 25 2.944 -1.157 4.719 1.00 0.00 C ATOM 426 CG LEU A 25 3.793 -2.412 4.856 1.00 0.00 C ATOM 427 CD1 LEU A 25 3.669 -3.259 3.605 1.00 0.00 C ATOM 428 CD2 LEU A 25 5.241 -2.043 5.127 1.00 0.00 C ATOM 0 H LEU A 25 2.219 -2.098 6.837 1.00 0.00 H new ATOM 0 HA LEU A 25 3.840 0.066 6.252 1.00 0.00 H new ATOM 0 HB2 LEU A 25 1.937 -1.448 4.422 1.00 0.00 H new ATOM 0 HB3 LEU A 25 3.351 -0.547 3.912 1.00 0.00 H new ATOM 0 HG LEU A 25 3.433 -2.997 5.702 1.00 0.00 H new ATOM 0 HD11 LEU A 25 4.280 -4.156 3.711 1.00 0.00 H new ATOM 0 HD12 LEU A 25 2.627 -3.545 3.461 1.00 0.00 H new ATOM 0 HD13 LEU A 25 4.011 -2.687 2.743 1.00 0.00 H new ATOM 0 HD21 LEU A 25 5.836 -2.951 5.223 1.00 0.00 H new ATOM 0 HD22 LEU A 25 5.624 -1.443 4.301 1.00 0.00 H new ATOM 0 HD23 LEU A 25 5.303 -1.469 6.052 1.00 0.00 H new ATOM 440 N LEU A 26 0.730 0.595 5.242 1.00 0.00 N ATOM 441 CA LEU A 26 -0.260 1.608 4.923 1.00 0.00 C ATOM 442 C LEU A 26 -0.532 2.564 6.081 1.00 0.00 C ATOM 443 O LEU A 26 -0.907 3.703 5.855 1.00 0.00 O ATOM 444 CB LEU A 26 -1.559 0.939 4.480 1.00 0.00 C ATOM 445 CG LEU A 26 -1.591 0.526 3.011 1.00 0.00 C ATOM 446 CD1 LEU A 26 -2.803 -0.340 2.713 1.00 0.00 C ATOM 447 CD2 LEU A 26 -1.567 1.748 2.136 1.00 0.00 C ATOM 0 H LEU A 26 0.410 -0.360 5.078 1.00 0.00 H new ATOM 0 HA LEU A 26 0.149 2.209 4.111 1.00 0.00 H new ATOM 0 HB2 LEU A 26 -1.726 0.055 5.096 1.00 0.00 H new ATOM 0 HB3 LEU A 26 -2.387 1.621 4.670 1.00 0.00 H new ATOM 0 HG LEU A 26 -0.705 -0.072 2.797 1.00 0.00 H new ATOM 0 HD11 LEU A 26 -2.800 -0.620 1.659 1.00 0.00 H new ATOM 0 HD12 LEU A 26 -2.767 -1.240 3.327 1.00 0.00 H new ATOM 0 HD13 LEU A 26 -3.712 0.217 2.938 1.00 0.00 H new ATOM 0 HD21 LEU A 26 -1.590 1.446 1.089 1.00 0.00 H new ATOM 0 HD22 LEU A 26 -2.436 2.369 2.354 1.00 0.00 H new ATOM 0 HD23 LEU A 26 -0.657 2.316 2.330 1.00 0.00 H new ATOM 459 N ASP A 27 -0.360 2.108 7.312 1.00 0.00 N ATOM 460 CA ASP A 27 -0.558 2.975 8.473 1.00 0.00 C ATOM 461 C ASP A 27 0.508 4.060 8.522 1.00 0.00 C ATOM 462 O ASP A 27 0.201 5.247 8.649 1.00 0.00 O ATOM 463 CB ASP A 27 -0.519 2.168 9.775 1.00 0.00 C ATOM 464 CG ASP A 27 -0.704 3.039 11.003 1.00 0.00 C ATOM 465 OD1 ASP A 27 -1.857 3.205 11.452 1.00 0.00 O ATOM 466 OD2 ASP A 27 0.303 3.565 11.529 1.00 0.00 O ATOM 0 H ASP A 27 -0.086 1.151 7.537 1.00 0.00 H new ATOM 0 HA ASP A 27 -1.540 3.438 8.373 1.00 0.00 H new ATOM 0 HB2 ASP A 27 -1.300 1.408 9.751 1.00 0.00 H new ATOM 0 HB3 ASP A 27 0.434 1.644 9.845 1.00 0.00 H new ATOM 471 N LYS A 28 1.762 3.646 8.404 1.00 0.00 N ATOM 472 CA LYS A 28 2.884 4.571 8.501 1.00 0.00 C ATOM 473 C LYS A 28 2.957 5.464 7.270 1.00 0.00 C ATOM 474 O LYS A 28 3.333 6.632 7.357 1.00 0.00 O ATOM 475 CB LYS A 28 4.196 3.799 8.662 1.00 0.00 C ATOM 476 CG LYS A 28 4.137 2.728 9.737 1.00 0.00 C ATOM 477 CD LYS A 28 5.470 2.020 9.913 1.00 0.00 C ATOM 478 CE LYS A 28 5.313 0.770 10.761 1.00 0.00 C ATOM 479 NZ LYS A 28 6.618 0.245 11.239 1.00 0.00 N ATOM 0 H LYS A 28 2.029 2.675 8.241 1.00 0.00 H new ATOM 0 HA LYS A 28 2.730 5.200 9.378 1.00 0.00 H new ATOM 0 HB2 LYS A 28 4.455 3.335 7.711 1.00 0.00 H new ATOM 0 HB3 LYS A 28 4.995 4.501 8.902 1.00 0.00 H new ATOM 0 HG2 LYS A 28 3.840 3.181 10.683 1.00 0.00 H new ATOM 0 HG3 LYS A 28 3.370 1.997 9.478 1.00 0.00 H new ATOM 0 HD2 LYS A 28 5.876 1.753 8.937 1.00 0.00 H new ATOM 0 HD3 LYS A 28 6.185 2.695 10.382 1.00 0.00 H new ATOM 0 HE2 LYS A 28 4.678 0.993 11.618 1.00 0.00 H new ATOM 0 HE3 LYS A 28 4.805 0.000 10.179 1.00 0.00 H new ATOM 0 HZ1 LYS A 28 6.460 -0.608 11.813 1.00 0.00 H new ATOM 0 HZ2 LYS A 28 7.216 0.007 10.422 1.00 0.00 H new ATOM 0 HZ3 LYS A 28 7.092 0.968 11.817 1.00 0.00 H new ATOM 493 N PHE A 29 2.580 4.916 6.124 1.00 0.00 N ATOM 494 CA PHE A 29 2.672 5.650 4.869 1.00 0.00 C ATOM 495 C PHE A 29 1.334 6.283 4.514 1.00 0.00 C ATOM 496 O PHE A 29 1.183 6.881 3.448 1.00 0.00 O ATOM 497 CB PHE A 29 3.134 4.722 3.740 1.00 0.00 C ATOM 498 CG PHE A 29 4.320 3.875 4.112 1.00 0.00 C ATOM 499 CD1 PHE A 29 5.335 4.387 4.905 1.00 0.00 C ATOM 500 CD2 PHE A 29 4.414 2.565 3.678 1.00 0.00 C ATOM 501 CE1 PHE A 29 6.415 3.605 5.260 1.00 0.00 C ATOM 502 CE2 PHE A 29 5.494 1.779 4.027 1.00 0.00 C ATOM 503 CZ PHE A 29 6.495 2.299 4.820 1.00 0.00 C ATOM 0 H PHE A 29 2.209 3.970 6.036 1.00 0.00 H new ATOM 0 HA PHE A 29 3.407 6.445 4.993 1.00 0.00 H new ATOM 0 HB2 PHE A 29 2.308 4.072 3.453 1.00 0.00 H new ATOM 0 HB3 PHE A 29 3.385 5.322 2.866 1.00 0.00 H new ATOM 0 HD1 PHE A 29 5.280 5.409 5.249 1.00 0.00 H new ATOM 0 HD2 PHE A 29 3.632 2.152 3.058 1.00 0.00 H new ATOM 0 HE1 PHE A 29 7.197 4.014 5.882 1.00 0.00 H new ATOM 0 HE2 PHE A 29 5.555 0.758 3.679 1.00 0.00 H new ATOM 0 HZ PHE A 29 7.340 1.686 5.096 1.00 0.00 H new ATOM 513 N GLN A 30 0.367 6.157 5.421 1.00 0.00 N ATOM 514 CA GLN A 30 -0.945 6.720 5.238 1.00 0.00 C ATOM 515 C GLN A 30 -0.860 8.211 4.994 1.00 0.00 C ATOM 516 O GLN A 30 -1.533 8.745 4.123 1.00 0.00 O ATOM 517 CB GLN A 30 -1.788 6.444 6.478 1.00 0.00 C ATOM 518 CG GLN A 30 -3.168 6.998 6.381 1.00 0.00 C ATOM 519 CD GLN A 30 -4.067 6.590 7.534 1.00 0.00 C ATOM 520 OE1 GLN A 30 -5.285 6.479 7.375 1.00 0.00 O ATOM 521 NE2 GLN A 30 -3.478 6.359 8.697 1.00 0.00 N ATOM 0 H GLN A 30 0.484 5.657 6.303 1.00 0.00 H new ATOM 0 HA GLN A 30 -1.409 6.258 4.367 1.00 0.00 H new ATOM 0 HB2 GLN A 30 -1.845 5.367 6.639 1.00 0.00 H new ATOM 0 HB3 GLN A 30 -1.292 6.871 7.350 1.00 0.00 H new ATOM 0 HG2 GLN A 30 -3.112 8.086 6.342 1.00 0.00 H new ATOM 0 HG3 GLN A 30 -3.619 6.668 5.445 1.00 0.00 H new ATOM 0 HE21 GLN A 30 -2.467 6.462 8.786 1.00 0.00 H new ATOM 0 HE22 GLN A 30 -4.035 6.078 9.504 1.00 0.00 H new ATOM 530 N ASP A 31 0.005 8.868 5.745 1.00 0.00 N ATOM 531 CA ASP A 31 0.150 10.312 5.664 1.00 0.00 C ATOM 532 C ASP A 31 0.695 10.746 4.304 1.00 0.00 C ATOM 533 O ASP A 31 0.519 11.888 3.896 1.00 0.00 O ATOM 534 CB ASP A 31 1.065 10.809 6.783 1.00 0.00 C ATOM 535 CG ASP A 31 1.214 12.316 6.795 1.00 0.00 C ATOM 536 OD1 ASP A 31 0.202 13.013 7.005 1.00 0.00 O ATOM 537 OD2 ASP A 31 2.349 12.805 6.615 1.00 0.00 O ATOM 0 H ASP A 31 0.622 8.421 6.423 1.00 0.00 H new ATOM 0 HA ASP A 31 -0.838 10.756 5.782 1.00 0.00 H new ATOM 0 HB2 ASP A 31 0.668 10.480 7.743 1.00 0.00 H new ATOM 0 HB3 ASP A 31 2.048 10.352 6.671 1.00 0.00 H new ATOM 542 N ASP A 32 1.342 9.832 3.594 1.00 0.00 N ATOM 543 CA ASP A 32 1.901 10.156 2.288 1.00 0.00 C ATOM 544 C ASP A 32 0.916 9.779 1.191 1.00 0.00 C ATOM 545 O ASP A 32 0.733 10.508 0.221 1.00 0.00 O ATOM 546 CB ASP A 32 3.227 9.439 2.074 1.00 0.00 C ATOM 547 CG ASP A 32 3.982 9.966 0.870 1.00 0.00 C ATOM 548 OD1 ASP A 32 3.715 11.108 0.448 1.00 0.00 O ATOM 549 OD2 ASP A 32 4.872 9.254 0.364 1.00 0.00 O ATOM 0 H ASP A 32 1.492 8.869 3.896 1.00 0.00 H new ATOM 0 HA ASP A 32 2.084 11.230 2.248 1.00 0.00 H new ATOM 0 HB2 ASP A 32 3.845 9.551 2.965 1.00 0.00 H new ATOM 0 HB3 ASP A 32 3.043 8.372 1.946 1.00 0.00 H new ATOM 554 N ILE A 33 0.266 8.640 1.368 1.00 0.00 N ATOM 555 CA ILE A 33 -0.766 8.190 0.446 1.00 0.00 C ATOM 556 C ILE A 33 -1.989 9.109 0.527 1.00 0.00 C ATOM 557 O ILE A 33 -2.672 9.354 -0.469 1.00 0.00 O ATOM 558 CB ILE A 33 -1.155 6.722 0.755 1.00 0.00 C ATOM 559 CG1 ILE A 33 0.026 5.802 0.433 1.00 0.00 C ATOM 560 CG2 ILE A 33 -2.387 6.298 -0.031 1.00 0.00 C ATOM 561 CD1 ILE A 33 -0.006 4.470 1.164 1.00 0.00 C ATOM 0 H ILE A 33 0.436 8.005 2.148 1.00 0.00 H new ATOM 0 HA ILE A 33 -0.376 8.234 -0.571 1.00 0.00 H new ATOM 0 HB ILE A 33 -1.398 6.644 1.815 1.00 0.00 H new ATOM 0 HG12 ILE A 33 0.044 5.614 -0.641 1.00 0.00 H new ATOM 0 HG13 ILE A 33 0.953 6.318 0.682 1.00 0.00 H new ATOM 0 HG21 ILE A 33 -2.633 5.264 0.209 1.00 0.00 H new ATOM 0 HG22 ILE A 33 -3.226 6.941 0.233 1.00 0.00 H new ATOM 0 HG23 ILE A 33 -2.185 6.385 -1.099 1.00 0.00 H new ATOM 0 HD11 ILE A 33 0.865 3.878 0.881 1.00 0.00 H new ATOM 0 HD12 ILE A 33 0.009 4.645 2.240 1.00 0.00 H new ATOM 0 HD13 ILE A 33 -0.914 3.930 0.897 1.00 0.00 H new ATOM 573 N LYS A 34 -2.230 9.652 1.711 1.00 0.00 N ATOM 574 CA LYS A 34 -3.340 10.565 1.932 1.00 0.00 C ATOM 575 C LYS A 34 -2.954 11.963 1.481 1.00 0.00 C ATOM 576 O LYS A 34 -3.796 12.757 1.076 1.00 0.00 O ATOM 577 CB LYS A 34 -3.721 10.567 3.407 1.00 0.00 C ATOM 578 CG LYS A 34 -5.068 11.199 3.700 1.00 0.00 C ATOM 579 CD LYS A 34 -5.469 10.974 5.148 1.00 0.00 C ATOM 580 CE LYS A 34 -6.922 11.340 5.398 1.00 0.00 C ATOM 581 NZ LYS A 34 -7.853 10.548 4.548 1.00 0.00 N ATOM 0 H LYS A 34 -1.665 9.473 2.541 1.00 0.00 H new ATOM 0 HA LYS A 34 -4.200 10.235 1.350 1.00 0.00 H new ATOM 0 HB2 LYS A 34 -3.728 9.539 3.770 1.00 0.00 H new ATOM 0 HB3 LYS A 34 -2.953 11.099 3.968 1.00 0.00 H new ATOM 0 HG2 LYS A 34 -5.025 12.268 3.492 1.00 0.00 H new ATOM 0 HG3 LYS A 34 -5.824 10.776 3.039 1.00 0.00 H new ATOM 0 HD2 LYS A 34 -5.308 9.929 5.411 1.00 0.00 H new ATOM 0 HD3 LYS A 34 -4.828 11.569 5.799 1.00 0.00 H new ATOM 0 HE2 LYS A 34 -7.161 11.175 6.448 1.00 0.00 H new ATOM 0 HE3 LYS A 34 -7.067 12.402 5.201 1.00 0.00 H new ATOM 0 HZ1 LYS A 34 -8.638 10.193 5.130 1.00 0.00 H new ATOM 0 HZ2 LYS A 34 -8.230 11.152 3.790 1.00 0.00 H new ATOM 0 HZ3 LYS A 34 -7.342 9.745 4.129 1.00 0.00 H new ATOM 595 N ASP A 35 -1.670 12.254 1.564 1.00 0.00 N ATOM 596 CA ASP A 35 -1.140 13.501 1.039 1.00 0.00 C ATOM 597 C ASP A 35 -1.219 13.518 -0.479 1.00 0.00 C ATOM 598 O ASP A 35 -1.762 14.445 -1.076 1.00 0.00 O ATOM 599 CB ASP A 35 0.307 13.697 1.475 1.00 0.00 C ATOM 600 CG ASP A 35 0.939 14.926 0.853 1.00 0.00 C ATOM 601 OD1 ASP A 35 1.766 14.774 -0.072 1.00 0.00 O ATOM 602 OD2 ASP A 35 0.605 16.051 1.284 1.00 0.00 O ATOM 0 H ASP A 35 -0.972 11.644 1.990 1.00 0.00 H new ATOM 0 HA ASP A 35 -1.744 14.316 1.437 1.00 0.00 H new ATOM 0 HB2 ASP A 35 0.348 13.782 2.561 1.00 0.00 H new ATOM 0 HB3 ASP A 35 0.888 12.816 1.202 1.00 0.00 H new ATOM 607 N LYS A 36 -0.681 12.474 -1.089 1.00 0.00 N ATOM 608 CA LYS A 36 -0.605 12.387 -2.537 1.00 0.00 C ATOM 609 C LYS A 36 -1.969 12.152 -3.184 1.00 0.00 C ATOM 610 O LYS A 36 -2.296 12.788 -4.184 1.00 0.00 O ATOM 611 CB LYS A 36 0.379 11.296 -2.944 1.00 0.00 C ATOM 612 CG LYS A 36 1.818 11.766 -2.911 1.00 0.00 C ATOM 613 CD LYS A 36 2.773 10.602 -2.925 1.00 0.00 C ATOM 614 CE LYS A 36 4.226 11.057 -2.990 1.00 0.00 C ATOM 615 NZ LYS A 36 4.589 11.951 -1.858 1.00 0.00 N ATOM 0 H LYS A 36 -0.288 11.670 -0.599 1.00 0.00 H new ATOM 0 HA LYS A 36 -0.248 13.350 -2.902 1.00 0.00 H new ATOM 0 HB2 LYS A 36 0.265 10.442 -2.277 1.00 0.00 H new ATOM 0 HB3 LYS A 36 0.137 10.950 -3.949 1.00 0.00 H new ATOM 0 HG2 LYS A 36 2.013 12.409 -3.769 1.00 0.00 H new ATOM 0 HG3 LYS A 36 1.986 12.367 -2.017 1.00 0.00 H new ATOM 0 HD2 LYS A 36 2.622 9.998 -2.030 1.00 0.00 H new ATOM 0 HD3 LYS A 36 2.554 9.964 -3.781 1.00 0.00 H new ATOM 0 HE2 LYS A 36 4.878 10.184 -2.984 1.00 0.00 H new ATOM 0 HE3 LYS A 36 4.399 11.578 -3.932 1.00 0.00 H new ATOM 0 HZ1 LYS A 36 5.580 11.785 -1.589 1.00 0.00 H new ATOM 0 HZ2 LYS A 36 4.470 12.943 -2.147 1.00 0.00 H new ATOM 0 HZ3 LYS A 36 3.971 11.751 -1.046 1.00 0.00 H new ATOM 629 N TYR A 37 -2.771 11.257 -2.614 1.00 0.00 N ATOM 630 CA TYR A 37 -4.030 10.864 -3.248 1.00 0.00 C ATOM 631 C TYR A 37 -5.247 11.192 -2.394 1.00 0.00 C ATOM 632 O TYR A 37 -6.351 11.333 -2.915 1.00 0.00 O ATOM 633 CB TYR A 37 -4.009 9.368 -3.556 1.00 0.00 C ATOM 634 CG TYR A 37 -2.870 8.975 -4.455 1.00 0.00 C ATOM 635 CD1 TYR A 37 -2.926 9.228 -5.816 1.00 0.00 C ATOM 636 CD2 TYR A 37 -1.731 8.374 -3.939 1.00 0.00 C ATOM 637 CE1 TYR A 37 -1.879 8.893 -6.643 1.00 0.00 C ATOM 638 CE2 TYR A 37 -0.678 8.031 -4.757 1.00 0.00 C ATOM 639 CZ TYR A 37 -0.757 8.296 -6.114 1.00 0.00 C ATOM 640 OH TYR A 37 0.288 7.978 -6.943 1.00 0.00 O ATOM 0 H TYR A 37 -2.577 10.794 -1.726 1.00 0.00 H new ATOM 0 HA TYR A 37 -4.117 11.440 -4.169 1.00 0.00 H new ATOM 0 HB2 TYR A 37 -3.938 8.810 -2.622 1.00 0.00 H new ATOM 0 HB3 TYR A 37 -4.951 9.085 -4.026 1.00 0.00 H new ATOM 0 HD1 TYR A 37 -3.805 9.695 -6.234 1.00 0.00 H new ATOM 0 HD2 TYR A 37 -1.669 8.172 -2.880 1.00 0.00 H new ATOM 0 HE1 TYR A 37 -1.937 9.097 -7.702 1.00 0.00 H new ATOM 0 HE2 TYR A 37 0.202 7.560 -4.344 1.00 0.00 H new ATOM 0 HH TYR A 37 0.317 8.611 -7.690 1.00 0.00 H new ATOM 650 N GLY A 38 -5.050 11.310 -1.092 1.00 0.00 N ATOM 651 CA GLY A 38 -6.168 11.566 -0.204 1.00 0.00 C ATOM 652 C GLY A 38 -6.914 10.296 0.144 1.00 0.00 C ATOM 653 O GLY A 38 -8.144 10.264 0.135 1.00 0.00 O ATOM 0 H GLY A 38 -4.142 11.234 -0.633 1.00 0.00 H new ATOM 0 HA2 GLY A 38 -5.805 12.036 0.710 1.00 0.00 H new ATOM 0 HA3 GLY A 38 -6.852 12.271 -0.676 1.00 0.00 H new ATOM 657 N VAL A 39 -6.165 9.246 0.448 1.00 0.00 N ATOM 658 CA VAL A 39 -6.742 7.952 0.759 1.00 0.00 C ATOM 659 C VAL A 39 -6.766 7.717 2.267 1.00 0.00 C ATOM 660 O VAL A 39 -5.953 8.271 3.006 1.00 0.00 O ATOM 661 CB VAL A 39 -5.924 6.827 0.096 1.00 0.00 C ATOM 662 CG1 VAL A 39 -6.619 5.484 0.235 1.00 0.00 C ATOM 663 CG2 VAL A 39 -5.661 7.140 -1.369 1.00 0.00 C ATOM 0 H VAL A 39 -5.146 9.269 0.485 1.00 0.00 H new ATOM 0 HA VAL A 39 -7.762 7.943 0.375 1.00 0.00 H new ATOM 0 HB VAL A 39 -4.967 6.767 0.614 1.00 0.00 H new ATOM 0 HG11 VAL A 39 -6.017 4.711 -0.243 1.00 0.00 H new ATOM 0 HG12 VAL A 39 -6.743 5.246 1.291 1.00 0.00 H new ATOM 0 HG13 VAL A 39 -7.597 5.529 -0.244 1.00 0.00 H new ATOM 0 HG21 VAL A 39 -5.082 6.332 -1.816 1.00 0.00 H new ATOM 0 HG22 VAL A 39 -6.610 7.241 -1.896 1.00 0.00 H new ATOM 0 HG23 VAL A 39 -5.102 8.073 -1.447 1.00 0.00 H new ATOM 673 N ASP A 40 -7.708 6.910 2.715 1.00 0.00 N ATOM 674 CA ASP A 40 -7.766 6.487 4.105 1.00 0.00 C ATOM 675 C ASP A 40 -7.520 4.983 4.183 1.00 0.00 C ATOM 676 O ASP A 40 -8.299 4.190 3.654 1.00 0.00 O ATOM 677 CB ASP A 40 -9.124 6.843 4.714 1.00 0.00 C ATOM 678 CG ASP A 40 -9.211 6.494 6.184 1.00 0.00 C ATOM 679 OD1 ASP A 40 -9.020 7.397 7.031 1.00 0.00 O ATOM 680 OD2 ASP A 40 -9.474 5.323 6.499 1.00 0.00 O ATOM 0 H ASP A 40 -8.452 6.529 2.131 1.00 0.00 H new ATOM 0 HA ASP A 40 -6.995 7.006 4.674 1.00 0.00 H new ATOM 0 HB2 ASP A 40 -9.307 7.910 4.586 1.00 0.00 H new ATOM 0 HB3 ASP A 40 -9.910 6.317 4.172 1.00 0.00 H new ATOM 685 N THR A 41 -6.436 4.591 4.838 1.00 0.00 N ATOM 686 CA THR A 41 -6.000 3.200 4.824 1.00 0.00 C ATOM 687 C THR A 41 -6.850 2.316 5.734 1.00 0.00 C ATOM 688 O THR A 41 -6.768 1.088 5.670 1.00 0.00 O ATOM 689 CB THR A 41 -4.521 3.078 5.223 1.00 0.00 C ATOM 690 OG1 THR A 41 -4.296 3.732 6.474 1.00 0.00 O ATOM 691 CG2 THR A 41 -3.622 3.691 4.159 1.00 0.00 C ATOM 0 H THR A 41 -5.843 5.215 5.385 1.00 0.00 H new ATOM 0 HA THR A 41 -6.126 2.850 3.800 1.00 0.00 H new ATOM 0 HB THR A 41 -4.280 2.019 5.317 1.00 0.00 H new ATOM 0 HG1 THR A 41 -3.351 3.648 6.722 1.00 0.00 H new ATOM 0 HG21 THR A 41 -2.580 3.593 4.463 1.00 0.00 H new ATOM 0 HG22 THR A 41 -3.774 3.173 3.212 1.00 0.00 H new ATOM 0 HG23 THR A 41 -3.867 4.746 4.039 1.00 0.00 H new ATOM 699 N LYS A 42 -7.674 2.938 6.566 1.00 0.00 N ATOM 700 CA LYS A 42 -8.572 2.209 7.444 1.00 0.00 C ATOM 701 C LYS A 42 -9.719 1.624 6.628 1.00 0.00 C ATOM 702 O LYS A 42 -10.383 0.675 7.045 1.00 0.00 O ATOM 703 CB LYS A 42 -9.132 3.141 8.514 1.00 0.00 C ATOM 704 CG LYS A 42 -8.108 4.103 9.095 1.00 0.00 C ATOM 705 CD LYS A 42 -8.778 5.137 9.980 1.00 0.00 C ATOM 706 CE LYS A 42 -7.831 6.267 10.342 1.00 0.00 C ATOM 707 NZ LYS A 42 -7.348 6.995 9.139 1.00 0.00 N ATOM 0 H LYS A 42 -7.737 3.953 6.650 1.00 0.00 H new ATOM 0 HA LYS A 42 -8.019 1.404 7.928 1.00 0.00 H new ATOM 0 HB2 LYS A 42 -9.953 3.716 8.086 1.00 0.00 H new ATOM 0 HB3 LYS A 42 -9.550 2.540 9.322 1.00 0.00 H new ATOM 0 HG2 LYS A 42 -7.369 3.548 9.673 1.00 0.00 H new ATOM 0 HG3 LYS A 42 -7.572 4.602 8.287 1.00 0.00 H new ATOM 0 HD2 LYS A 42 -9.650 5.543 9.468 1.00 0.00 H new ATOM 0 HD3 LYS A 42 -9.137 4.658 10.891 1.00 0.00 H new ATOM 0 HE2 LYS A 42 -8.337 6.965 11.009 1.00 0.00 H new ATOM 0 HE3 LYS A 42 -6.978 5.865 10.889 1.00 0.00 H new ATOM 0 HZ1 LYS A 42 -6.996 7.933 9.419 1.00 0.00 H new ATOM 0 HZ2 LYS A 42 -6.579 6.456 8.692 1.00 0.00 H new ATOM 0 HZ3 LYS A 42 -8.131 7.106 8.463 1.00 0.00 H new ATOM 721 N ASP A 43 -9.933 2.200 5.452 1.00 0.00 N ATOM 722 CA ASP A 43 -10.992 1.756 4.563 1.00 0.00 C ATOM 723 C ASP A 43 -10.440 0.720 3.603 1.00 0.00 C ATOM 724 O ASP A 43 -11.138 -0.213 3.202 1.00 0.00 O ATOM 725 CB ASP A 43 -11.565 2.940 3.781 1.00 0.00 C ATOM 726 CG ASP A 43 -12.761 2.557 2.935 1.00 0.00 C ATOM 727 OD1 ASP A 43 -13.900 2.636 3.442 1.00 0.00 O ATOM 728 OD2 ASP A 43 -12.578 2.195 1.758 1.00 0.00 O ATOM 0 H ASP A 43 -9.382 2.980 5.093 1.00 0.00 H new ATOM 0 HA ASP A 43 -11.793 1.314 5.156 1.00 0.00 H new ATOM 0 HB2 ASP A 43 -11.855 3.725 4.479 1.00 0.00 H new ATOM 0 HB3 ASP A 43 -10.789 3.356 3.139 1.00 0.00 H new ATOM 733 N LEU A 44 -9.170 0.895 3.253 1.00 0.00 N ATOM 734 CA LEU A 44 -8.482 -0.019 2.357 1.00 0.00 C ATOM 735 C LEU A 44 -8.527 -1.440 2.891 1.00 0.00 C ATOM 736 O LEU A 44 -7.917 -1.759 3.914 1.00 0.00 O ATOM 737 CB LEU A 44 -7.028 0.400 2.162 1.00 0.00 C ATOM 738 CG LEU A 44 -6.816 1.784 1.552 1.00 0.00 C ATOM 739 CD1 LEU A 44 -5.331 2.071 1.408 1.00 0.00 C ATOM 740 CD2 LEU A 44 -7.515 1.889 0.203 1.00 0.00 C ATOM 0 H LEU A 44 -8.594 1.670 3.582 1.00 0.00 H new ATOM 0 HA LEU A 44 -8.996 0.018 1.397 1.00 0.00 H new ATOM 0 HB2 LEU A 44 -6.527 0.368 3.129 1.00 0.00 H new ATOM 0 HB3 LEU A 44 -6.539 -0.337 1.525 1.00 0.00 H new ATOM 0 HG LEU A 44 -7.252 2.528 2.219 1.00 0.00 H new ATOM 0 HD11 LEU A 44 -5.192 3.060 0.972 1.00 0.00 H new ATOM 0 HD12 LEU A 44 -4.857 2.037 2.389 1.00 0.00 H new ATOM 0 HD13 LEU A 44 -4.877 1.322 0.759 1.00 0.00 H new ATOM 0 HD21 LEU A 44 -7.352 2.882 -0.215 1.00 0.00 H new ATOM 0 HD22 LEU A 44 -7.110 1.139 -0.476 1.00 0.00 H new ATOM 0 HD23 LEU A 44 -8.584 1.721 0.333 1.00 0.00 H new ATOM 752 N LYS A 45 -9.264 -2.278 2.192 1.00 0.00 N ATOM 753 CA LYS A 45 -9.389 -3.676 2.539 1.00 0.00 C ATOM 754 C LYS A 45 -8.221 -4.455 1.957 1.00 0.00 C ATOM 755 O LYS A 45 -8.167 -4.694 0.752 1.00 0.00 O ATOM 756 CB LYS A 45 -10.722 -4.196 2.004 1.00 0.00 C ATOM 757 CG LYS A 45 -10.859 -5.702 1.984 1.00 0.00 C ATOM 758 CD LYS A 45 -12.180 -6.110 1.358 1.00 0.00 C ATOM 759 CE LYS A 45 -12.253 -7.603 1.104 1.00 0.00 C ATOM 760 NZ LYS A 45 -13.526 -7.974 0.433 1.00 0.00 N ATOM 0 H LYS A 45 -9.795 -2.006 1.364 1.00 0.00 H new ATOM 0 HA LYS A 45 -9.369 -3.803 3.621 1.00 0.00 H new ATOM 0 HB2 LYS A 45 -11.527 -3.781 2.611 1.00 0.00 H new ATOM 0 HB3 LYS A 45 -10.861 -3.820 0.990 1.00 0.00 H new ATOM 0 HG2 LYS A 45 -10.034 -6.140 1.423 1.00 0.00 H new ATOM 0 HG3 LYS A 45 -10.796 -6.092 3.000 1.00 0.00 H new ATOM 0 HD2 LYS A 45 -12.999 -5.814 2.014 1.00 0.00 H new ATOM 0 HD3 LYS A 45 -12.316 -5.576 0.418 1.00 0.00 H new ATOM 0 HE2 LYS A 45 -11.410 -7.911 0.485 1.00 0.00 H new ATOM 0 HE3 LYS A 45 -12.167 -8.140 2.049 1.00 0.00 H new ATOM 0 HZ1 LYS A 45 -13.547 -9.001 0.272 1.00 0.00 H new ATOM 0 HZ2 LYS A 45 -14.328 -7.701 1.036 1.00 0.00 H new ATOM 0 HZ3 LYS A 45 -13.595 -7.479 -0.479 1.00 0.00 H new ATOM 774 N ILE A 46 -7.273 -4.822 2.802 1.00 0.00 N ATOM 775 CA ILE A 46 -6.086 -5.512 2.333 1.00 0.00 C ATOM 776 C ILE A 46 -6.402 -6.952 1.965 1.00 0.00 C ATOM 777 O ILE A 46 -6.731 -7.778 2.818 1.00 0.00 O ATOM 778 CB ILE A 46 -4.940 -5.461 3.360 1.00 0.00 C ATOM 779 CG1 ILE A 46 -4.605 -3.998 3.676 1.00 0.00 C ATOM 780 CG2 ILE A 46 -3.718 -6.197 2.822 1.00 0.00 C ATOM 781 CD1 ILE A 46 -3.415 -3.816 4.584 1.00 0.00 C ATOM 0 H ILE A 46 -7.302 -4.655 3.808 1.00 0.00 H new ATOM 0 HA ILE A 46 -5.749 -4.987 1.439 1.00 0.00 H new ATOM 0 HB ILE A 46 -5.252 -5.956 4.280 1.00 0.00 H new ATOM 0 HG12 ILE A 46 -4.418 -3.470 2.741 1.00 0.00 H new ATOM 0 HG13 ILE A 46 -5.474 -3.530 4.138 1.00 0.00 H new ATOM 0 HG21 ILE A 46 -2.914 -6.154 3.557 1.00 0.00 H new ATOM 0 HG22 ILE A 46 -3.977 -7.238 2.628 1.00 0.00 H new ATOM 0 HG23 ILE A 46 -3.388 -5.726 1.896 1.00 0.00 H new ATOM 0 HD11 ILE A 46 -3.248 -2.753 4.756 1.00 0.00 H new ATOM 0 HD12 ILE A 46 -3.604 -4.312 5.536 1.00 0.00 H new ATOM 0 HD13 ILE A 46 -2.531 -4.251 4.117 1.00 0.00 H new ATOM 793 N LEU A 47 -6.301 -7.227 0.678 1.00 0.00 N ATOM 794 CA LEU A 47 -6.636 -8.525 0.122 1.00 0.00 C ATOM 795 C LEU A 47 -5.470 -9.482 0.294 1.00 0.00 C ATOM 796 O LEU A 47 -5.643 -10.638 0.679 1.00 0.00 O ATOM 797 CB LEU A 47 -6.936 -8.379 -1.371 1.00 0.00 C ATOM 798 CG LEU A 47 -7.727 -7.129 -1.762 1.00 0.00 C ATOM 799 CD1 LEU A 47 -7.876 -7.049 -3.272 1.00 0.00 C ATOM 800 CD2 LEU A 47 -9.095 -7.125 -1.095 1.00 0.00 C ATOM 0 H LEU A 47 -5.982 -6.551 -0.016 1.00 0.00 H new ATOM 0 HA LEU A 47 -7.509 -8.916 0.644 1.00 0.00 H new ATOM 0 HB2 LEU A 47 -5.992 -8.376 -1.915 1.00 0.00 H new ATOM 0 HB3 LEU A 47 -7.491 -9.257 -1.700 1.00 0.00 H new ATOM 0 HG LEU A 47 -7.176 -6.254 -1.417 1.00 0.00 H new ATOM 0 HD11 LEU A 47 -8.441 -6.155 -3.535 1.00 0.00 H new ATOM 0 HD12 LEU A 47 -6.889 -7.004 -3.733 1.00 0.00 H new ATOM 0 HD13 LEU A 47 -8.405 -7.931 -3.633 1.00 0.00 H new ATOM 0 HD21 LEU A 47 -9.640 -6.227 -1.387 1.00 0.00 H new ATOM 0 HD22 LEU A 47 -9.655 -8.007 -1.407 1.00 0.00 H new ATOM 0 HD23 LEU A 47 -8.972 -7.138 -0.012 1.00 0.00 H new ATOM 812 N LYS A 48 -4.276 -8.977 0.018 1.00 0.00 N ATOM 813 CA LYS A 48 -3.088 -9.799 -0.006 1.00 0.00 C ATOM 814 C LYS A 48 -1.856 -8.957 0.291 1.00 0.00 C ATOM 815 O LYS A 48 -1.564 -7.997 -0.422 1.00 0.00 O ATOM 816 CB LYS A 48 -2.939 -10.448 -1.382 1.00 0.00 C ATOM 817 CG LYS A 48 -2.029 -11.660 -1.385 1.00 0.00 C ATOM 818 CD LYS A 48 -1.874 -12.228 -2.781 1.00 0.00 C ATOM 819 CE LYS A 48 -1.110 -13.539 -2.767 1.00 0.00 C ATOM 820 NZ LYS A 48 -1.046 -14.159 -4.116 1.00 0.00 N ATOM 0 H LYS A 48 -4.110 -7.993 -0.193 1.00 0.00 H new ATOM 0 HA LYS A 48 -3.182 -10.572 0.757 1.00 0.00 H new ATOM 0 HB2 LYS A 48 -3.924 -10.743 -1.744 1.00 0.00 H new ATOM 0 HB3 LYS A 48 -2.549 -9.710 -2.083 1.00 0.00 H new ATOM 0 HG2 LYS A 48 -1.051 -11.384 -0.992 1.00 0.00 H new ATOM 0 HG3 LYS A 48 -2.435 -12.424 -0.722 1.00 0.00 H new ATOM 0 HD2 LYS A 48 -2.858 -12.384 -3.223 1.00 0.00 H new ATOM 0 HD3 LYS A 48 -1.352 -11.508 -3.412 1.00 0.00 H new ATOM 0 HE2 LYS A 48 -0.099 -13.366 -2.399 1.00 0.00 H new ATOM 0 HE3 LYS A 48 -1.588 -14.230 -2.072 1.00 0.00 H new ATOM 0 HZ1 LYS A 48 -0.516 -15.052 -4.063 1.00 0.00 H new ATOM 0 HZ2 LYS A 48 -2.010 -14.348 -4.457 1.00 0.00 H new ATOM 0 HZ3 LYS A 48 -0.567 -13.511 -4.774 1.00 0.00 H new ATOM 834 N THR A 49 -1.152 -9.313 1.349 1.00 0.00 N ATOM 835 CA THR A 49 0.106 -8.669 1.675 1.00 0.00 C ATOM 836 C THR A 49 1.254 -9.577 1.261 1.00 0.00 C ATOM 837 O THR A 49 1.237 -10.762 1.559 1.00 0.00 O ATOM 838 CB THR A 49 0.218 -8.377 3.185 1.00 0.00 C ATOM 839 OG1 THR A 49 -0.936 -7.657 3.635 1.00 0.00 O ATOM 840 CG2 THR A 49 1.472 -7.572 3.491 1.00 0.00 C ATOM 0 H THR A 49 -1.431 -10.047 1.999 1.00 0.00 H new ATOM 0 HA THR A 49 0.151 -7.721 1.138 1.00 0.00 H new ATOM 0 HB THR A 49 0.279 -9.330 3.710 1.00 0.00 H new ATOM 0 HG1 THR A 49 -0.676 -7.034 4.346 1.00 0.00 H new ATOM 0 HG21 THR A 49 1.528 -7.379 4.562 1.00 0.00 H new ATOM 0 HG22 THR A 49 2.351 -8.135 3.177 1.00 0.00 H new ATOM 0 HG23 THR A 49 1.437 -6.625 2.953 1.00 0.00 H new ATOM 848 N SER A 50 2.219 -9.044 0.541 1.00 0.00 N ATOM 849 CA SER A 50 3.402 -9.807 0.176 1.00 0.00 C ATOM 850 C SER A 50 4.545 -8.858 -0.133 1.00 0.00 C ATOM 851 O SER A 50 4.370 -7.642 -0.089 1.00 0.00 O ATOM 852 CB SER A 50 3.122 -10.692 -1.048 1.00 0.00 C ATOM 853 OG SER A 50 2.059 -11.596 -0.800 1.00 0.00 O ATOM 0 H SER A 50 2.211 -8.085 0.195 1.00 0.00 H new ATOM 0 HA SER A 50 3.673 -10.449 1.014 1.00 0.00 H new ATOM 0 HB2 SER A 50 2.875 -10.064 -1.904 1.00 0.00 H new ATOM 0 HB3 SER A 50 4.022 -11.249 -1.310 1.00 0.00 H new ATOM 0 HG SER A 50 1.887 -11.642 0.164 1.00 0.00 H new ATOM 859 N GLU A 51 5.708 -9.413 -0.423 1.00 0.00 N ATOM 860 CA GLU A 51 6.818 -8.628 -0.920 1.00 0.00 C ATOM 861 C GLU A 51 7.797 -9.527 -1.646 1.00 0.00 C ATOM 862 O GLU A 51 7.710 -10.756 -1.557 1.00 0.00 O ATOM 863 CB GLU A 51 7.542 -7.879 0.205 1.00 0.00 C ATOM 864 CG GLU A 51 8.430 -8.741 1.081 1.00 0.00 C ATOM 865 CD GLU A 51 9.680 -8.004 1.500 1.00 0.00 C ATOM 866 OE1 GLU A 51 10.670 -8.038 0.740 1.00 0.00 O ATOM 867 OE2 GLU A 51 9.679 -7.357 2.568 1.00 0.00 O ATOM 0 H GLU A 51 5.906 -10.408 -0.322 1.00 0.00 H new ATOM 0 HA GLU A 51 6.414 -7.884 -1.607 1.00 0.00 H new ATOM 0 HB2 GLU A 51 8.150 -7.090 -0.237 1.00 0.00 H new ATOM 0 HB3 GLU A 51 6.797 -7.393 0.835 1.00 0.00 H new ATOM 0 HG2 GLU A 51 7.876 -9.053 1.967 1.00 0.00 H new ATOM 0 HG3 GLU A 51 8.705 -9.647 0.542 1.00 0.00 H new ATOM 874 N ASP A 52 8.710 -8.916 -2.371 1.00 0.00 N ATOM 875 CA ASP A 52 9.788 -9.640 -3.010 1.00 0.00 C ATOM 876 C ASP A 52 11.024 -8.764 -3.099 1.00 0.00 C ATOM 877 O ASP A 52 11.197 -7.998 -4.050 1.00 0.00 O ATOM 878 CB ASP A 52 9.396 -10.143 -4.399 1.00 0.00 C ATOM 879 CG ASP A 52 10.537 -10.879 -5.072 1.00 0.00 C ATOM 880 OD1 ASP A 52 10.729 -10.707 -6.294 1.00 0.00 O ATOM 881 OD2 ASP A 52 11.261 -11.628 -4.375 1.00 0.00 O ATOM 0 H ASP A 52 8.726 -7.909 -2.533 1.00 0.00 H new ATOM 0 HA ASP A 52 10.006 -10.514 -2.396 1.00 0.00 H new ATOM 0 HB2 ASP A 52 8.534 -10.805 -4.316 1.00 0.00 H new ATOM 0 HB3 ASP A 52 9.091 -9.300 -5.019 1.00 0.00 H new ATOM 886 N LYS A 53 11.838 -8.844 -2.058 1.00 0.00 N ATOM 887 CA LYS A 53 13.116 -8.159 -1.993 1.00 0.00 C ATOM 888 C LYS A 53 12.914 -6.646 -1.852 1.00 0.00 C ATOM 889 O LYS A 53 12.577 -6.159 -0.781 1.00 0.00 O ATOM 890 CB LYS A 53 13.992 -8.505 -3.214 1.00 0.00 C ATOM 891 CG LYS A 53 15.419 -7.972 -3.145 1.00 0.00 C ATOM 892 CD LYS A 53 16.306 -8.843 -2.269 1.00 0.00 C ATOM 893 CE LYS A 53 16.497 -10.227 -2.872 1.00 0.00 C ATOM 894 NZ LYS A 53 17.290 -10.195 -4.131 1.00 0.00 N ATOM 0 H LYS A 53 11.626 -9.394 -1.225 1.00 0.00 H new ATOM 0 HA LYS A 53 13.645 -8.505 -1.105 1.00 0.00 H new ATOM 0 HB2 LYS A 53 14.028 -9.589 -3.323 1.00 0.00 H new ATOM 0 HB3 LYS A 53 13.514 -8.110 -4.111 1.00 0.00 H new ATOM 0 HG2 LYS A 53 15.837 -7.923 -4.150 1.00 0.00 H new ATOM 0 HG3 LYS A 53 15.408 -6.955 -2.754 1.00 0.00 H new ATOM 0 HD2 LYS A 53 17.276 -8.363 -2.141 1.00 0.00 H new ATOM 0 HD3 LYS A 53 15.863 -8.935 -1.277 1.00 0.00 H new ATOM 0 HE2 LYS A 53 16.997 -10.870 -2.147 1.00 0.00 H new ATOM 0 HE3 LYS A 53 15.522 -10.671 -3.072 1.00 0.00 H new ATOM 0 HZ1 LYS A 53 17.551 -11.165 -4.402 1.00 0.00 H new ATOM 0 HZ2 LYS A 53 16.722 -9.765 -4.888 1.00 0.00 H new ATOM 0 HZ3 LYS A 53 18.152 -9.633 -3.984 1.00 0.00 H new ATOM 908 N ARG A 54 13.049 -5.911 -2.934 1.00 0.00 N ATOM 909 CA ARG A 54 13.047 -4.461 -2.860 1.00 0.00 C ATOM 910 C ARG A 54 11.665 -3.895 -3.116 1.00 0.00 C ATOM 911 O ARG A 54 11.513 -2.718 -3.437 1.00 0.00 O ATOM 912 CB ARG A 54 14.053 -3.908 -3.860 1.00 0.00 C ATOM 913 CG ARG A 54 15.482 -4.157 -3.427 1.00 0.00 C ATOM 914 CD ARG A 54 16.483 -3.609 -4.416 1.00 0.00 C ATOM 915 NE ARG A 54 17.788 -3.446 -3.791 1.00 0.00 N ATOM 916 CZ ARG A 54 18.948 -3.583 -4.418 1.00 0.00 C ATOM 917 NH1 ARG A 54 18.982 -3.951 -5.692 1.00 0.00 N ATOM 918 NH2 ARG A 54 20.078 -3.378 -3.757 1.00 0.00 N ATOM 0 H ARG A 54 13.161 -6.289 -3.875 1.00 0.00 H new ATOM 0 HA ARG A 54 13.334 -4.160 -1.853 1.00 0.00 H new ATOM 0 HB2 ARG A 54 13.885 -4.367 -4.834 1.00 0.00 H new ATOM 0 HB3 ARG A 54 13.893 -2.837 -3.980 1.00 0.00 H new ATOM 0 HG2 ARG A 54 15.649 -3.699 -2.452 1.00 0.00 H new ATOM 0 HG3 ARG A 54 15.642 -5.229 -3.307 1.00 0.00 H new ATOM 0 HD2 ARG A 54 16.565 -4.282 -5.269 1.00 0.00 H new ATOM 0 HD3 ARG A 54 16.135 -2.650 -4.799 1.00 0.00 H new ATOM 0 HE ARG A 54 17.811 -3.209 -2.799 1.00 0.00 H new ATOM 0 HH11 ARG A 54 18.113 -4.130 -6.194 1.00 0.00 H new ATOM 0 HH12 ARG A 54 19.878 -4.055 -6.169 1.00 0.00 H new ATOM 0 HH21 ARG A 54 20.052 -3.116 -2.771 1.00 0.00 H new ATOM 0 HH22 ARG A 54 20.974 -3.482 -4.234 1.00 0.00 H new ATOM 932 N PHE A 55 10.652 -4.728 -2.944 1.00 0.00 N ATOM 933 CA PHE A 55 9.297 -4.336 -3.296 1.00 0.00 C ATOM 934 C PHE A 55 8.264 -5.000 -2.396 1.00 0.00 C ATOM 935 O PHE A 55 8.187 -6.223 -2.329 1.00 0.00 O ATOM 936 CB PHE A 55 8.990 -4.712 -4.748 1.00 0.00 C ATOM 937 CG PHE A 55 9.951 -4.158 -5.763 1.00 0.00 C ATOM 938 CD1 PHE A 55 9.756 -2.900 -6.308 1.00 0.00 C ATOM 939 CD2 PHE A 55 11.052 -4.897 -6.172 1.00 0.00 C ATOM 940 CE1 PHE A 55 10.638 -2.390 -7.241 1.00 0.00 C ATOM 941 CE2 PHE A 55 11.937 -4.390 -7.103 1.00 0.00 C ATOM 942 CZ PHE A 55 11.730 -3.135 -7.638 1.00 0.00 C ATOM 0 H PHE A 55 10.740 -5.671 -2.566 1.00 0.00 H new ATOM 0 HA PHE A 55 9.237 -3.256 -3.165 1.00 0.00 H new ATOM 0 HB2 PHE A 55 8.982 -5.799 -4.832 1.00 0.00 H new ATOM 0 HB3 PHE A 55 7.986 -4.366 -4.993 1.00 0.00 H new ATOM 0 HD1 PHE A 55 8.905 -2.311 -6.000 1.00 0.00 H new ATOM 0 HD2 PHE A 55 11.219 -5.880 -5.757 1.00 0.00 H new ATOM 0 HE1 PHE A 55 10.473 -1.408 -7.660 1.00 0.00 H new ATOM 0 HE2 PHE A 55 12.790 -4.975 -7.412 1.00 0.00 H new ATOM 0 HZ PHE A 55 12.421 -2.736 -8.366 1.00 0.00 H new ATOM 952 N TYR A 56 7.481 -4.183 -1.711 1.00 0.00 N ATOM 953 CA TYR A 56 6.291 -4.656 -1.013 1.00 0.00 C ATOM 954 C TYR A 56 5.125 -4.680 -1.983 1.00 0.00 C ATOM 955 O TYR A 56 5.091 -3.894 -2.922 1.00 0.00 O ATOM 956 CB TYR A 56 5.928 -3.753 0.171 1.00 0.00 C ATOM 957 CG TYR A 56 6.669 -4.061 1.447 1.00 0.00 C ATOM 958 CD1 TYR A 56 6.495 -5.279 2.090 1.00 0.00 C ATOM 959 CD2 TYR A 56 7.526 -3.133 2.019 1.00 0.00 C ATOM 960 CE1 TYR A 56 7.159 -5.566 3.263 1.00 0.00 C ATOM 961 CE2 TYR A 56 8.195 -3.413 3.196 1.00 0.00 C ATOM 962 CZ TYR A 56 8.009 -4.631 3.812 1.00 0.00 C ATOM 963 OH TYR A 56 8.679 -4.917 4.977 1.00 0.00 O ATOM 0 H TYR A 56 7.648 -3.181 -1.622 1.00 0.00 H new ATOM 0 HA TYR A 56 6.502 -5.654 -0.629 1.00 0.00 H new ATOM 0 HB2 TYR A 56 6.124 -2.717 -0.106 1.00 0.00 H new ATOM 0 HB3 TYR A 56 4.858 -3.836 0.359 1.00 0.00 H new ATOM 0 HD1 TYR A 56 5.828 -6.014 1.664 1.00 0.00 H new ATOM 0 HD2 TYR A 56 7.673 -2.177 1.538 1.00 0.00 H new ATOM 0 HE1 TYR A 56 7.014 -6.519 3.750 1.00 0.00 H new ATOM 0 HE2 TYR A 56 8.860 -2.681 3.630 1.00 0.00 H new ATOM 0 HH TYR A 56 8.092 -5.425 5.575 1.00 0.00 H new ATOM 973 N TYR A 57 4.181 -5.574 -1.760 1.00 0.00 N ATOM 974 CA TYR A 57 2.996 -5.660 -2.600 1.00 0.00 C ATOM 975 C TYR A 57 1.752 -5.823 -1.737 1.00 0.00 C ATOM 976 O TYR A 57 1.417 -6.932 -1.319 1.00 0.00 O ATOM 977 CB TYR A 57 3.109 -6.832 -3.583 1.00 0.00 C ATOM 978 CG TYR A 57 4.304 -6.747 -4.509 1.00 0.00 C ATOM 979 CD1 TYR A 57 4.380 -5.762 -5.485 1.00 0.00 C ATOM 980 CD2 TYR A 57 5.356 -7.650 -4.409 1.00 0.00 C ATOM 981 CE1 TYR A 57 5.467 -5.676 -6.330 1.00 0.00 C ATOM 982 CE2 TYR A 57 6.449 -7.570 -5.254 1.00 0.00 C ATOM 983 CZ TYR A 57 6.497 -6.581 -6.215 1.00 0.00 C ATOM 984 OH TYR A 57 7.584 -6.488 -7.057 1.00 0.00 O ATOM 0 H TYR A 57 4.210 -6.255 -1.001 1.00 0.00 H new ATOM 0 HA TYR A 57 2.915 -4.736 -3.173 1.00 0.00 H new ATOM 0 HB2 TYR A 57 3.166 -7.762 -3.018 1.00 0.00 H new ATOM 0 HB3 TYR A 57 2.200 -6.878 -4.183 1.00 0.00 H new ATOM 0 HD1 TYR A 57 3.574 -5.051 -5.584 1.00 0.00 H new ATOM 0 HD2 TYR A 57 5.320 -8.427 -3.660 1.00 0.00 H new ATOM 0 HE1 TYR A 57 5.509 -4.900 -7.080 1.00 0.00 H new ATOM 0 HE2 TYR A 57 7.260 -8.278 -5.162 1.00 0.00 H new ATOM 0 HH TYR A 57 8.223 -7.200 -6.846 1.00 0.00 H new ATOM 994 N VAL A 58 1.090 -4.714 -1.439 1.00 0.00 N ATOM 995 CA VAL A 58 -0.124 -4.748 -0.633 1.00 0.00 C ATOM 996 C VAL A 58 -1.350 -4.516 -1.505 1.00 0.00 C ATOM 997 O VAL A 58 -1.724 -3.377 -1.774 1.00 0.00 O ATOM 998 CB VAL A 58 -0.105 -3.685 0.490 1.00 0.00 C ATOM 999 CG1 VAL A 58 -1.214 -3.946 1.496 1.00 0.00 C ATOM 1000 CG2 VAL A 58 1.248 -3.643 1.175 1.00 0.00 C ATOM 0 H VAL A 58 1.371 -3.782 -1.742 1.00 0.00 H new ATOM 0 HA VAL A 58 -0.170 -5.736 -0.175 1.00 0.00 H new ATOM 0 HB VAL A 58 -0.281 -2.710 0.036 1.00 0.00 H new ATOM 0 HG11 VAL A 58 -1.183 -3.187 2.277 1.00 0.00 H new ATOM 0 HG12 VAL A 58 -2.179 -3.908 0.991 1.00 0.00 H new ATOM 0 HG13 VAL A 58 -1.077 -4.931 1.942 1.00 0.00 H new ATOM 0 HG21 VAL A 58 1.235 -2.887 1.961 1.00 0.00 H new ATOM 0 HG22 VAL A 58 1.465 -4.618 1.612 1.00 0.00 H new ATOM 0 HG23 VAL A 58 2.018 -3.394 0.445 1.00 0.00 H new ATOM 1010 N SER A 59 -1.963 -5.592 -1.962 1.00 0.00 N ATOM 1011 CA SER A 59 -3.145 -5.482 -2.801 1.00 0.00 C ATOM 1012 C SER A 59 -4.365 -5.218 -1.932 1.00 0.00 C ATOM 1013 O SER A 59 -4.684 -6.014 -1.053 1.00 0.00 O ATOM 1014 CB SER A 59 -3.336 -6.762 -3.605 1.00 0.00 C ATOM 1015 OG SER A 59 -2.114 -7.159 -4.205 1.00 0.00 O ATOM 0 H SER A 59 -1.665 -6.548 -1.769 1.00 0.00 H new ATOM 0 HA SER A 59 -3.017 -4.652 -3.495 1.00 0.00 H new ATOM 0 HB2 SER A 59 -3.703 -7.556 -2.954 1.00 0.00 H new ATOM 0 HB3 SER A 59 -4.092 -6.606 -4.375 1.00 0.00 H new ATOM 0 HG SER A 59 -2.253 -7.983 -4.716 1.00 0.00 H new ATOM 1021 N VAL A 60 -5.028 -4.095 -2.159 1.00 0.00 N ATOM 1022 CA VAL A 60 -6.166 -3.712 -1.342 1.00 0.00 C ATOM 1023 C VAL A 60 -7.360 -3.330 -2.201 1.00 0.00 C ATOM 1024 O VAL A 60 -7.220 -2.989 -3.377 1.00 0.00 O ATOM 1025 CB VAL A 60 -5.831 -2.516 -0.419 1.00 0.00 C ATOM 1026 CG1 VAL A 60 -4.575 -2.799 0.382 1.00 0.00 C ATOM 1027 CG2 VAL A 60 -5.684 -1.233 -1.225 1.00 0.00 C ATOM 0 H VAL A 60 -4.797 -3.434 -2.901 1.00 0.00 H new ATOM 0 HA VAL A 60 -6.411 -4.583 -0.734 1.00 0.00 H new ATOM 0 HB VAL A 60 -6.658 -2.380 0.278 1.00 0.00 H new ATOM 0 HG11 VAL A 60 -4.354 -1.947 1.026 1.00 0.00 H new ATOM 0 HG12 VAL A 60 -4.727 -3.687 0.995 1.00 0.00 H new ATOM 0 HG13 VAL A 60 -3.740 -2.966 -0.298 1.00 0.00 H new ATOM 0 HG21 VAL A 60 -5.449 -0.407 -0.554 1.00 0.00 H new ATOM 0 HG22 VAL A 60 -4.880 -1.350 -1.952 1.00 0.00 H new ATOM 0 HG23 VAL A 60 -6.618 -1.022 -1.747 1.00 0.00 H new ATOM 1037 N ASP A 61 -8.531 -3.407 -1.601 1.00 0.00 N ATOM 1038 CA ASP A 61 -9.733 -2.858 -2.196 1.00 0.00 C ATOM 1039 C ASP A 61 -9.793 -1.381 -1.842 1.00 0.00 C ATOM 1040 O ASP A 61 -9.748 -1.019 -0.665 1.00 0.00 O ATOM 1041 CB ASP A 61 -10.973 -3.584 -1.668 1.00 0.00 C ATOM 1042 CG ASP A 61 -12.244 -3.201 -2.404 1.00 0.00 C ATOM 1043 OD1 ASP A 61 -12.617 -2.011 -2.389 1.00 0.00 O ATOM 1044 OD2 ASP A 61 -12.893 -4.101 -2.976 1.00 0.00 O ATOM 0 H ASP A 61 -8.676 -3.849 -0.693 1.00 0.00 H new ATOM 0 HA ASP A 61 -9.711 -2.988 -3.278 1.00 0.00 H new ATOM 0 HB2 ASP A 61 -10.821 -4.660 -1.753 1.00 0.00 H new ATOM 0 HB3 ASP A 61 -11.093 -3.362 -0.608 1.00 0.00 H new ATOM 1049 N ALA A 62 -9.872 -0.537 -2.857 1.00 0.00 N ATOM 1050 CA ALA A 62 -9.803 0.907 -2.667 1.00 0.00 C ATOM 1051 C ALA A 62 -11.103 1.477 -2.099 1.00 0.00 C ATOM 1052 O ALA A 62 -11.253 2.692 -1.971 1.00 0.00 O ATOM 1053 CB ALA A 62 -9.451 1.583 -3.979 1.00 0.00 C ATOM 0 H ALA A 62 -9.985 -0.827 -3.828 1.00 0.00 H new ATOM 0 HA ALA A 62 -9.021 1.109 -1.935 1.00 0.00 H new ATOM 0 HB1 ALA A 62 -9.401 2.662 -3.831 1.00 0.00 H new ATOM 0 HB2 ALA A 62 -8.484 1.219 -4.328 1.00 0.00 H new ATOM 0 HB3 ALA A 62 -10.214 1.354 -4.723 1.00 0.00 H new ATOM 1059 N GLY A 63 -12.045 0.602 -1.781 1.00 0.00 N ATOM 1060 CA GLY A 63 -13.259 1.029 -1.125 1.00 0.00 C ATOM 1061 C GLY A 63 -14.426 1.111 -2.075 1.00 0.00 C ATOM 1062 O GLY A 63 -15.518 0.639 -1.772 1.00 0.00 O ATOM 0 H GLY A 63 -11.988 -0.399 -1.967 1.00 0.00 H new ATOM 0 HA2 GLY A 63 -13.497 0.334 -0.320 1.00 0.00 H new ATOM 0 HA3 GLY A 63 -13.098 2.005 -0.667 1.00 0.00 H new ATOM 1066 N ASP A 64 -14.194 1.707 -3.231 1.00 0.00 N ATOM 1067 CA ASP A 64 -15.239 1.843 -4.234 1.00 0.00 C ATOM 1068 C ASP A 64 -15.405 0.543 -5.010 1.00 0.00 C ATOM 1069 O ASP A 64 -16.489 0.231 -5.506 1.00 0.00 O ATOM 1070 CB ASP A 64 -14.918 2.989 -5.190 1.00 0.00 C ATOM 1071 CG ASP A 64 -16.042 3.251 -6.170 1.00 0.00 C ATOM 1072 OD1 ASP A 64 -16.943 4.046 -5.837 1.00 0.00 O ATOM 1073 OD2 ASP A 64 -16.029 2.663 -7.272 1.00 0.00 O ATOM 0 H ASP A 64 -13.294 2.104 -3.500 1.00 0.00 H new ATOM 0 HA ASP A 64 -16.176 2.067 -3.724 1.00 0.00 H new ATOM 0 HB2 ASP A 64 -14.721 3.894 -4.616 1.00 0.00 H new ATOM 0 HB3 ASP A 64 -14.006 2.756 -5.740 1.00 0.00 H new ATOM 1078 N GLY A 65 -14.333 -0.226 -5.087 1.00 0.00 N ATOM 1079 CA GLY A 65 -14.368 -1.470 -5.825 1.00 0.00 C ATOM 1080 C GLY A 65 -13.071 -1.736 -6.560 1.00 0.00 C ATOM 1081 O GLY A 65 -12.771 -2.881 -6.909 1.00 0.00 O ATOM 0 H GLY A 65 -13.436 -0.011 -4.651 1.00 0.00 H new ATOM 0 HA2 GLY A 65 -14.570 -2.292 -5.138 1.00 0.00 H new ATOM 0 HA3 GLY A 65 -15.190 -1.443 -6.540 1.00 0.00 H new ATOM 1085 N GLU A 66 -12.306 -0.677 -6.806 1.00 0.00 N ATOM 1086 CA GLU A 66 -11.020 -0.804 -7.472 1.00 0.00 C ATOM 1087 C GLU A 66 -10.020 -1.553 -6.608 1.00 0.00 C ATOM 1088 O GLU A 66 -10.064 -1.480 -5.382 1.00 0.00 O ATOM 1089 CB GLU A 66 -10.468 0.568 -7.857 1.00 0.00 C ATOM 1090 CG GLU A 66 -10.693 0.911 -9.319 1.00 0.00 C ATOM 1091 CD GLU A 66 -10.103 2.249 -9.708 1.00 0.00 C ATOM 1092 OE1 GLU A 66 -8.861 2.350 -9.808 1.00 0.00 O ATOM 1093 OE2 GLU A 66 -10.878 3.202 -9.936 1.00 0.00 O ATOM 0 H GLU A 66 -12.557 0.279 -6.553 1.00 0.00 H new ATOM 0 HA GLU A 66 -11.179 -1.382 -8.382 1.00 0.00 H new ATOM 0 HB2 GLU A 66 -10.938 1.330 -7.235 1.00 0.00 H new ATOM 0 HB3 GLU A 66 -9.399 0.596 -7.643 1.00 0.00 H new ATOM 0 HG2 GLU A 66 -10.254 0.131 -9.941 1.00 0.00 H new ATOM 0 HG3 GLU A 66 -11.763 0.918 -9.525 1.00 0.00 H new ATOM 1100 N LYS A 67 -9.131 -2.283 -7.258 1.00 0.00 N ATOM 1101 CA LYS A 67 -8.116 -3.040 -6.558 1.00 0.00 C ATOM 1102 C LYS A 67 -6.751 -2.409 -6.778 1.00 0.00 C ATOM 1103 O LYS A 67 -6.212 -2.440 -7.884 1.00 0.00 O ATOM 1104 CB LYS A 67 -8.108 -4.496 -7.018 1.00 0.00 C ATOM 1105 CG LYS A 67 -9.356 -5.267 -6.619 1.00 0.00 C ATOM 1106 CD LYS A 67 -9.368 -6.656 -7.231 1.00 0.00 C ATOM 1107 CE LYS A 67 -10.641 -7.402 -6.879 1.00 0.00 C ATOM 1108 NZ LYS A 67 -10.677 -8.756 -7.491 1.00 0.00 N ATOM 0 H LYS A 67 -9.094 -2.366 -8.274 1.00 0.00 H new ATOM 0 HA LYS A 67 -8.347 -3.023 -5.493 1.00 0.00 H new ATOM 0 HB2 LYS A 67 -8.004 -4.525 -8.103 1.00 0.00 H new ATOM 0 HB3 LYS A 67 -7.234 -4.995 -6.601 1.00 0.00 H new ATOM 0 HG2 LYS A 67 -9.405 -5.346 -5.533 1.00 0.00 H new ATOM 0 HG3 LYS A 67 -10.242 -4.719 -6.939 1.00 0.00 H new ATOM 0 HD2 LYS A 67 -9.277 -6.579 -8.314 1.00 0.00 H new ATOM 0 HD3 LYS A 67 -8.504 -7.219 -6.877 1.00 0.00 H new ATOM 0 HE2 LYS A 67 -10.722 -7.491 -5.796 1.00 0.00 H new ATOM 0 HE3 LYS A 67 -11.504 -6.828 -7.217 1.00 0.00 H new ATOM 0 HZ1 LYS A 67 -11.563 -9.233 -7.227 1.00 0.00 H new ATOM 0 HZ2 LYS A 67 -10.625 -8.671 -8.526 1.00 0.00 H new ATOM 0 HZ3 LYS A 67 -9.868 -9.313 -7.149 1.00 0.00 H new ATOM 1122 N CYS A 68 -6.205 -1.825 -5.729 1.00 0.00 N ATOM 1123 CA CYS A 68 -4.926 -1.142 -5.814 1.00 0.00 C ATOM 1124 C CYS A 68 -3.855 -1.944 -5.104 1.00 0.00 C ATOM 1125 O CYS A 68 -4.045 -2.388 -3.976 1.00 0.00 O ATOM 1126 CB CYS A 68 -5.027 0.254 -5.196 1.00 0.00 C ATOM 1127 SG CYS A 68 -6.372 1.278 -5.881 1.00 0.00 S ATOM 0 H CYS A 68 -6.629 -1.809 -4.802 1.00 0.00 H new ATOM 0 HA CYS A 68 -4.656 -1.043 -6.865 1.00 0.00 H new ATOM 0 HB2 CYS A 68 -5.173 0.153 -4.121 1.00 0.00 H new ATOM 0 HB3 CYS A 68 -4.080 0.773 -5.342 1.00 0.00 H new ATOM 1132 N LYS A 69 -2.736 -2.136 -5.769 1.00 0.00 N ATOM 1133 CA LYS A 69 -1.623 -2.853 -5.183 1.00 0.00 C ATOM 1134 C LYS A 69 -0.582 -1.857 -4.713 1.00 0.00 C ATOM 1135 O LYS A 69 0.099 -1.236 -5.529 1.00 0.00 O ATOM 1136 CB LYS A 69 -0.993 -3.812 -6.193 1.00 0.00 C ATOM 1137 CG LYS A 69 0.236 -4.509 -5.646 1.00 0.00 C ATOM 1138 CD LYS A 69 1.088 -5.125 -6.742 1.00 0.00 C ATOM 1139 CE LYS A 69 0.327 -6.128 -7.590 1.00 0.00 C ATOM 1140 NZ LYS A 69 1.221 -6.777 -8.583 1.00 0.00 N ATOM 0 H LYS A 69 -2.572 -1.804 -6.720 1.00 0.00 H new ATOM 0 HA LYS A 69 -1.991 -3.439 -4.341 1.00 0.00 H new ATOM 0 HB2 LYS A 69 -1.730 -4.560 -6.487 1.00 0.00 H new ATOM 0 HB3 LYS A 69 -0.723 -3.260 -7.093 1.00 0.00 H new ATOM 0 HG2 LYS A 69 0.835 -3.794 -5.082 1.00 0.00 H new ATOM 0 HG3 LYS A 69 -0.072 -5.287 -4.948 1.00 0.00 H new ATOM 0 HD2 LYS A 69 1.473 -4.333 -7.384 1.00 0.00 H new ATOM 0 HD3 LYS A 69 1.950 -5.618 -6.291 1.00 0.00 H new ATOM 0 HE2 LYS A 69 -0.120 -6.887 -6.948 1.00 0.00 H new ATOM 0 HE3 LYS A 69 -0.491 -5.626 -8.106 1.00 0.00 H new ATOM 0 HZ1 LYS A 69 0.675 -7.458 -9.149 1.00 0.00 H new ATOM 0 HZ2 LYS A 69 1.628 -6.053 -9.209 1.00 0.00 H new ATOM 0 HZ3 LYS A 69 1.987 -7.275 -8.087 1.00 0.00 H new ATOM 1154 N PHE A 70 -0.477 -1.684 -3.407 1.00 0.00 N ATOM 1155 CA PHE A 70 0.521 -0.796 -2.851 1.00 0.00 C ATOM 1156 C PHE A 70 1.888 -1.448 -2.887 1.00 0.00 C ATOM 1157 O PHE A 70 2.329 -2.102 -1.939 1.00 0.00 O ATOM 1158 CB PHE A 70 0.147 -0.347 -1.441 1.00 0.00 C ATOM 1159 CG PHE A 70 -0.956 0.671 -1.442 1.00 0.00 C ATOM 1160 CD1 PHE A 70 -2.268 0.295 -1.217 1.00 0.00 C ATOM 1161 CD2 PHE A 70 -0.677 2.006 -1.685 1.00 0.00 C ATOM 1162 CE1 PHE A 70 -3.282 1.232 -1.232 1.00 0.00 C ATOM 1163 CE2 PHE A 70 -1.687 2.948 -1.701 1.00 0.00 C ATOM 1164 CZ PHE A 70 -2.991 2.561 -1.475 1.00 0.00 C ATOM 0 H PHE A 70 -1.069 -2.146 -2.717 1.00 0.00 H new ATOM 0 HA PHE A 70 0.560 0.102 -3.468 1.00 0.00 H new ATOM 0 HB2 PHE A 70 -0.162 -1.213 -0.856 1.00 0.00 H new ATOM 0 HB3 PHE A 70 1.025 0.073 -0.951 1.00 0.00 H new ATOM 0 HD1 PHE A 70 -2.502 -0.742 -1.028 1.00 0.00 H new ATOM 0 HD2 PHE A 70 0.343 2.314 -1.864 1.00 0.00 H new ATOM 0 HE1 PHE A 70 -4.302 0.926 -1.054 1.00 0.00 H new ATOM 0 HE2 PHE A 70 -1.456 3.986 -1.890 1.00 0.00 H new ATOM 0 HZ PHE A 70 -3.783 3.295 -1.488 1.00 0.00 H new ATOM 1174 N LYS A 71 2.510 -1.303 -4.036 1.00 0.00 N ATOM 1175 CA LYS A 71 3.861 -1.743 -4.273 1.00 0.00 C ATOM 1176 C LYS A 71 4.828 -0.760 -3.628 1.00 0.00 C ATOM 1177 O LYS A 71 5.234 0.246 -4.216 1.00 0.00 O ATOM 1178 CB LYS A 71 4.069 -1.874 -5.782 1.00 0.00 C ATOM 1179 CG LYS A 71 5.500 -1.789 -6.279 1.00 0.00 C ATOM 1180 CD LYS A 71 5.496 -1.576 -7.778 1.00 0.00 C ATOM 1181 CE LYS A 71 6.888 -1.666 -8.365 1.00 0.00 C ATOM 1182 NZ LYS A 71 7.368 -3.072 -8.454 1.00 0.00 N ATOM 0 H LYS A 71 2.077 -0.865 -4.849 1.00 0.00 H new ATOM 0 HA LYS A 71 4.049 -2.718 -3.824 1.00 0.00 H new ATOM 0 HB2 LYS A 71 3.653 -2.829 -6.102 1.00 0.00 H new ATOM 0 HB3 LYS A 71 3.490 -1.093 -6.275 1.00 0.00 H new ATOM 0 HG2 LYS A 71 6.021 -0.969 -5.785 1.00 0.00 H new ATOM 0 HG3 LYS A 71 6.038 -2.704 -6.031 1.00 0.00 H new ATOM 0 HD2 LYS A 71 4.855 -2.321 -8.249 1.00 0.00 H new ATOM 0 HD3 LYS A 71 5.069 -0.599 -8.005 1.00 0.00 H new ATOM 0 HE2 LYS A 71 6.891 -1.219 -9.359 1.00 0.00 H new ATOM 0 HE3 LYS A 71 7.578 -1.086 -7.752 1.00 0.00 H new ATOM 0 HZ1 LYS A 71 8.141 -3.219 -7.774 1.00 0.00 H new ATOM 0 HZ2 LYS A 71 6.585 -3.721 -8.234 1.00 0.00 H new ATOM 0 HZ3 LYS A 71 7.713 -3.261 -9.417 1.00 0.00 H new ATOM 1196 N ILE A 72 5.146 -1.026 -2.385 1.00 0.00 N ATOM 1197 CA ILE A 72 6.008 -0.156 -1.626 1.00 0.00 C ATOM 1198 C ILE A 72 7.456 -0.545 -1.863 1.00 0.00 C ATOM 1199 O ILE A 72 7.921 -1.570 -1.372 1.00 0.00 O ATOM 1200 CB ILE A 72 5.664 -0.219 -0.122 1.00 0.00 C ATOM 1201 CG1 ILE A 72 4.182 0.115 0.086 1.00 0.00 C ATOM 1202 CG2 ILE A 72 6.542 0.739 0.672 1.00 0.00 C ATOM 1203 CD1 ILE A 72 3.694 -0.115 1.500 1.00 0.00 C ATOM 0 H ILE A 72 4.817 -1.846 -1.875 1.00 0.00 H new ATOM 0 HA ILE A 72 5.857 0.871 -1.958 1.00 0.00 H new ATOM 0 HB ILE A 72 5.854 -1.230 0.239 1.00 0.00 H new ATOM 0 HG12 ILE A 72 4.014 1.158 -0.181 1.00 0.00 H new ATOM 0 HG13 ILE A 72 3.584 -0.489 -0.597 1.00 0.00 H new ATOM 0 HG21 ILE A 72 6.283 0.679 1.729 1.00 0.00 H new ATOM 0 HG22 ILE A 72 7.589 0.468 0.539 1.00 0.00 H new ATOM 0 HG23 ILE A 72 6.383 1.757 0.317 1.00 0.00 H new ATOM 0 HD11 ILE A 72 2.637 0.144 1.567 1.00 0.00 H new ATOM 0 HD12 ILE A 72 3.828 -1.164 1.765 1.00 0.00 H new ATOM 0 HD13 ILE A 72 4.265 0.509 2.188 1.00 0.00 H new ATOM 1215 N ARG A 73 8.162 0.270 -2.634 1.00 0.00 N ATOM 1216 CA ARG A 73 9.543 -0.026 -3.006 1.00 0.00 C ATOM 1217 C ARG A 73 10.485 0.312 -1.857 1.00 0.00 C ATOM 1218 O ARG A 73 11.690 0.456 -2.038 1.00 0.00 O ATOM 1219 CB ARG A 73 9.919 0.743 -4.274 1.00 0.00 C ATOM 1220 CG ARG A 73 11.234 0.311 -4.906 1.00 0.00 C ATOM 1221 CD ARG A 73 11.392 0.902 -6.295 1.00 0.00 C ATOM 1222 NE ARG A 73 12.712 0.642 -6.858 1.00 0.00 N ATOM 1223 CZ ARG A 73 13.225 1.316 -7.883 1.00 0.00 C ATOM 1224 NH1 ARG A 73 12.526 2.284 -8.464 1.00 0.00 N ATOM 1225 NH2 ARG A 73 14.433 1.016 -8.332 1.00 0.00 N ATOM 0 H ARG A 73 7.802 1.144 -3.016 1.00 0.00 H new ATOM 0 HA ARG A 73 9.637 -1.092 -3.213 1.00 0.00 H new ATOM 0 HB2 ARG A 73 9.121 0.623 -5.007 1.00 0.00 H new ATOM 0 HB3 ARG A 73 9.976 1.805 -4.036 1.00 0.00 H new ATOM 0 HG2 ARG A 73 12.065 0.627 -4.276 1.00 0.00 H new ATOM 0 HG3 ARG A 73 11.274 -0.777 -4.963 1.00 0.00 H new ATOM 0 HD2 ARG A 73 10.630 0.486 -6.954 1.00 0.00 H new ATOM 0 HD3 ARG A 73 11.223 1.978 -6.251 1.00 0.00 H new ATOM 0 HE ARG A 73 13.274 -0.100 -6.441 1.00 0.00 H new ATOM 0 HH11 ARG A 73 11.592 2.513 -8.124 1.00 0.00 H new ATOM 0 HH12 ARG A 73 12.923 2.799 -9.250 1.00 0.00 H new ATOM 0 HH21 ARG A 73 14.970 0.268 -7.892 1.00 0.00 H new ATOM 0 HH22 ARG A 73 14.828 1.532 -9.118 1.00 0.00 H new ATOM 1239 N LYS A 74 9.900 0.430 -0.673 1.00 0.00 N ATOM 1240 CA LYS A 74 10.649 0.611 0.564 1.00 0.00 C ATOM 1241 C LYS A 74 11.577 1.823 0.477 1.00 0.00 C ATOM 1242 O LYS A 74 11.336 2.750 -0.295 1.00 0.00 O ATOM 1243 CB LYS A 74 11.461 -0.658 0.847 1.00 0.00 C ATOM 1244 CG LYS A 74 10.639 -1.937 0.815 1.00 0.00 C ATOM 1245 CD LYS A 74 11.506 -3.159 1.072 1.00 0.00 C ATOM 1246 CE LYS A 74 10.670 -4.422 1.177 1.00 0.00 C ATOM 1247 NZ LYS A 74 11.483 -5.596 1.575 1.00 0.00 N ATOM 0 H LYS A 74 8.889 0.403 -0.542 1.00 0.00 H new ATOM 0 HA LYS A 74 9.946 0.791 1.378 1.00 0.00 H new ATOM 0 HB2 LYS A 74 12.263 -0.735 0.113 1.00 0.00 H new ATOM 0 HB3 LYS A 74 11.932 -0.565 1.826 1.00 0.00 H new ATOM 0 HG2 LYS A 74 9.851 -1.884 1.566 1.00 0.00 H new ATOM 0 HG3 LYS A 74 10.150 -2.033 -0.154 1.00 0.00 H new ATOM 0 HD2 LYS A 74 12.232 -3.268 0.266 1.00 0.00 H new ATOM 0 HD3 LYS A 74 12.072 -3.018 1.993 1.00 0.00 H new ATOM 0 HE2 LYS A 74 9.873 -4.270 1.905 1.00 0.00 H new ATOM 0 HE3 LYS A 74 10.192 -4.621 0.218 1.00 0.00 H new ATOM 0 HZ1 LYS A 74 11.696 -6.172 0.735 1.00 0.00 H new ATOM 0 HZ2 LYS A 74 12.372 -5.272 2.007 1.00 0.00 H new ATOM 0 HZ3 LYS A 74 10.952 -6.169 2.262 1.00 0.00 H new ATOM 1261 N ASP A 75 12.613 1.824 1.300 1.00 0.00 N ATOM 1262 CA ASP A 75 13.667 2.821 1.206 1.00 0.00 C ATOM 1263 C ASP A 75 14.866 2.202 0.486 1.00 0.00 C ATOM 1264 O ASP A 75 15.975 2.146 1.007 1.00 0.00 O ATOM 1265 CB ASP A 75 14.058 3.315 2.602 1.00 0.00 C ATOM 1266 CG ASP A 75 15.038 4.471 2.572 1.00 0.00 C ATOM 1267 OD1 ASP A 75 14.635 5.587 2.185 1.00 0.00 O ATOM 1268 OD2 ASP A 75 16.205 4.280 2.974 1.00 0.00 O ATOM 0 H ASP A 75 12.747 1.141 2.045 1.00 0.00 H new ATOM 0 HA ASP A 75 13.314 3.683 0.639 1.00 0.00 H new ATOM 0 HB2 ASP A 75 13.159 3.622 3.137 1.00 0.00 H new ATOM 0 HB3 ASP A 75 14.496 2.490 3.163 1.00 0.00 H new ATOM 1273 N VAL A 76 14.602 1.702 -0.714 1.00 0.00 N ATOM 1274 CA VAL A 76 15.606 1.020 -1.536 1.00 0.00 C ATOM 1275 C VAL A 76 16.578 2.020 -2.170 1.00 0.00 C ATOM 1276 O VAL A 76 17.662 1.665 -2.641 1.00 0.00 O ATOM 1277 CB VAL A 76 14.885 0.191 -2.630 1.00 0.00 C ATOM 1278 CG1 VAL A 76 15.801 -0.201 -3.777 1.00 0.00 C ATOM 1279 CG2 VAL A 76 14.273 -1.051 -2.010 1.00 0.00 C ATOM 0 H VAL A 76 13.682 1.756 -1.151 1.00 0.00 H new ATOM 0 HA VAL A 76 16.192 0.356 -0.900 1.00 0.00 H new ATOM 0 HB VAL A 76 14.106 0.826 -3.051 1.00 0.00 H new ATOM 0 HG11 VAL A 76 15.239 -0.779 -4.510 1.00 0.00 H new ATOM 0 HG12 VAL A 76 16.197 0.698 -4.250 1.00 0.00 H new ATOM 0 HG13 VAL A 76 16.625 -0.803 -3.395 1.00 0.00 H new ATOM 0 HG21 VAL A 76 13.767 -1.631 -2.782 1.00 0.00 H new ATOM 0 HG22 VAL A 76 15.058 -1.656 -1.557 1.00 0.00 H new ATOM 0 HG23 VAL A 76 13.553 -0.759 -1.245 1.00 0.00 H new ATOM 1289 N ASP A 77 16.195 3.278 -2.109 1.00 0.00 N ATOM 1290 CA ASP A 77 16.890 4.352 -2.813 1.00 0.00 C ATOM 1291 C ASP A 77 16.177 5.653 -2.518 1.00 0.00 C ATOM 1292 O ASP A 77 16.770 6.625 -2.049 1.00 0.00 O ATOM 1293 CB ASP A 77 16.896 4.093 -4.327 1.00 0.00 C ATOM 1294 CG ASP A 77 17.590 5.187 -5.115 1.00 0.00 C ATOM 1295 OD1 ASP A 77 18.824 5.111 -5.286 1.00 0.00 O ATOM 1296 OD2 ASP A 77 16.904 6.124 -5.582 1.00 0.00 O ATOM 0 H ASP A 77 15.389 3.593 -1.569 1.00 0.00 H new ATOM 0 HA ASP A 77 17.925 4.400 -2.475 1.00 0.00 H new ATOM 0 HB2 ASP A 77 17.390 3.142 -4.525 1.00 0.00 H new ATOM 0 HB3 ASP A 77 15.868 3.997 -4.677 1.00 0.00 H new ATOM 1301 N VAL A 78 14.885 5.643 -2.794 1.00 0.00 N ATOM 1302 CA VAL A 78 14.006 6.729 -2.425 1.00 0.00 C ATOM 1303 C VAL A 78 12.915 6.185 -1.519 1.00 0.00 C ATOM 1304 O VAL A 78 12.406 5.083 -1.733 1.00 0.00 O ATOM 1305 CB VAL A 78 13.360 7.404 -3.657 1.00 0.00 C ATOM 1306 CG1 VAL A 78 12.525 6.401 -4.426 1.00 0.00 C ATOM 1307 CG2 VAL A 78 12.501 8.595 -3.261 1.00 0.00 C ATOM 0 H VAL A 78 14.419 4.878 -3.282 1.00 0.00 H new ATOM 0 HA VAL A 78 14.600 7.486 -1.913 1.00 0.00 H new ATOM 0 HB VAL A 78 14.167 7.769 -4.292 1.00 0.00 H new ATOM 0 HG11 VAL A 78 12.076 6.889 -5.291 1.00 0.00 H new ATOM 0 HG12 VAL A 78 13.159 5.580 -4.761 1.00 0.00 H new ATOM 0 HG13 VAL A 78 11.738 6.011 -3.780 1.00 0.00 H new ATOM 0 HG21 VAL A 78 12.065 9.042 -4.154 1.00 0.00 H new ATOM 0 HG22 VAL A 78 11.704 8.264 -2.595 1.00 0.00 H new ATOM 0 HG23 VAL A 78 13.117 9.334 -2.749 1.00 0.00 H new ATOM 1317 N PRO A 79 12.572 6.933 -0.484 1.00 0.00 N ATOM 1318 CA PRO A 79 11.479 6.588 0.402 1.00 0.00 C ATOM 1319 C PRO A 79 10.121 6.856 -0.240 1.00 0.00 C ATOM 1320 O PRO A 79 9.383 7.740 0.196 1.00 0.00 O ATOM 1321 CB PRO A 79 11.696 7.510 1.599 1.00 0.00 C ATOM 1322 CG PRO A 79 12.441 8.678 1.068 1.00 0.00 C ATOM 1323 CD PRO A 79 13.241 8.176 -0.097 1.00 0.00 C ATOM 0 HA PRO A 79 11.472 5.529 0.660 1.00 0.00 H new ATOM 0 HB2 PRO A 79 10.746 7.816 2.036 1.00 0.00 H new ATOM 0 HB3 PRO A 79 12.261 7.008 2.384 1.00 0.00 H new ATOM 0 HG2 PRO A 79 11.756 9.467 0.758 1.00 0.00 H new ATOM 0 HG3 PRO A 79 13.092 9.103 1.832 1.00 0.00 H new ATOM 0 HD2 PRO A 79 13.248 8.896 -0.915 1.00 0.00 H new ATOM 0 HD3 PRO A 79 14.280 7.999 0.180 1.00 0.00 H new ATOM 1331 N LYS A 80 9.788 6.097 -1.272 1.00 0.00 N ATOM 1332 CA LYS A 80 8.522 6.279 -1.963 1.00 0.00 C ATOM 1333 C LYS A 80 7.912 4.958 -2.387 1.00 0.00 C ATOM 1334 O LYS A 80 8.608 4.025 -2.791 1.00 0.00 O ATOM 1335 CB LYS A 80 8.683 7.176 -3.192 1.00 0.00 C ATOM 1336 CG LYS A 80 8.819 8.648 -2.859 1.00 0.00 C ATOM 1337 CD LYS A 80 8.970 9.488 -4.114 1.00 0.00 C ATOM 1338 CE LYS A 80 9.360 10.914 -3.776 1.00 0.00 C ATOM 1339 NZ LYS A 80 9.479 11.766 -4.985 1.00 0.00 N ATOM 0 H LYS A 80 10.374 5.352 -1.648 1.00 0.00 H new ATOM 0 HA LYS A 80 7.850 6.760 -1.252 1.00 0.00 H new ATOM 0 HB2 LYS A 80 9.562 6.856 -3.751 1.00 0.00 H new ATOM 0 HB3 LYS A 80 7.822 7.039 -3.846 1.00 0.00 H new ATOM 0 HG2 LYS A 80 7.943 8.979 -2.301 1.00 0.00 H new ATOM 0 HG3 LYS A 80 9.684 8.798 -2.213 1.00 0.00 H new ATOM 0 HD2 LYS A 80 9.726 9.045 -4.762 1.00 0.00 H new ATOM 0 HD3 LYS A 80 8.033 9.487 -4.671 1.00 0.00 H new ATOM 0 HE2 LYS A 80 8.616 11.342 -3.104 1.00 0.00 H new ATOM 0 HE3 LYS A 80 10.310 10.912 -3.241 1.00 0.00 H new ATOM 0 HZ1 LYS A 80 9.747 12.731 -4.705 1.00 0.00 H new ATOM 0 HZ2 LYS A 80 10.207 11.374 -5.616 1.00 0.00 H new ATOM 0 HZ3 LYS A 80 8.566 11.791 -5.483 1.00 0.00 H new ATOM 1353 N MET A 81 6.600 4.896 -2.280 1.00 0.00 N ATOM 1354 CA MET A 81 5.841 3.767 -2.777 1.00 0.00 C ATOM 1355 C MET A 81 5.651 3.933 -4.275 1.00 0.00 C ATOM 1356 O MET A 81 4.697 4.569 -4.712 1.00 0.00 O ATOM 1357 CB MET A 81 4.465 3.671 -2.097 1.00 0.00 C ATOM 1358 CG MET A 81 4.490 3.738 -0.573 1.00 0.00 C ATOM 1359 SD MET A 81 4.928 5.372 0.058 1.00 0.00 S ATOM 1360 CE MET A 81 3.711 6.391 -0.773 1.00 0.00 C ATOM 0 H MET A 81 6.032 5.624 -1.848 1.00 0.00 H new ATOM 0 HA MET A 81 6.390 2.852 -2.555 1.00 0.00 H new ATOM 0 HB2 MET A 81 3.835 4.479 -2.470 1.00 0.00 H new ATOM 0 HB3 MET A 81 3.994 2.735 -2.396 1.00 0.00 H new ATOM 0 HG2 MET A 81 3.510 3.457 -0.187 1.00 0.00 H new ATOM 0 HG3 MET A 81 5.204 3.006 -0.195 1.00 0.00 H new ATOM 0 HE1 MET A 81 3.436 7.227 -0.130 1.00 0.00 H new ATOM 0 HE2 MET A 81 4.130 6.772 -1.704 1.00 0.00 H new ATOM 0 HE3 MET A 81 2.825 5.795 -0.991 1.00 0.00 H new ATOM 1370 N VAL A 82 6.591 3.415 -5.053 1.00 0.00 N ATOM 1371 CA VAL A 82 6.513 3.512 -6.513 1.00 0.00 C ATOM 1372 C VAL A 82 5.237 2.862 -7.034 1.00 0.00 C ATOM 1373 O VAL A 82 4.642 3.317 -8.009 1.00 0.00 O ATOM 1374 CB VAL A 82 7.731 2.857 -7.200 1.00 0.00 C ATOM 1375 CG1 VAL A 82 9.015 3.564 -6.791 1.00 0.00 C ATOM 1376 CG2 VAL A 82 7.804 1.366 -6.887 1.00 0.00 C ATOM 0 H VAL A 82 7.415 2.925 -4.705 1.00 0.00 H new ATOM 0 HA VAL A 82 6.508 4.575 -6.756 1.00 0.00 H new ATOM 0 HB VAL A 82 7.610 2.961 -8.278 1.00 0.00 H new ATOM 0 HG11 VAL A 82 9.864 3.090 -7.284 1.00 0.00 H new ATOM 0 HG12 VAL A 82 8.963 4.612 -7.086 1.00 0.00 H new ATOM 0 HG13 VAL A 82 9.139 3.497 -5.710 1.00 0.00 H new ATOM 0 HG21 VAL A 82 8.671 0.932 -7.384 1.00 0.00 H new ATOM 0 HG22 VAL A 82 7.894 1.224 -5.810 1.00 0.00 H new ATOM 0 HG23 VAL A 82 6.898 0.875 -7.243 1.00 0.00 H new ATOM 1386 N GLY A 83 4.811 1.812 -6.356 1.00 0.00 N ATOM 1387 CA GLY A 83 3.636 1.095 -6.764 1.00 0.00 C ATOM 1388 C GLY A 83 2.400 1.610 -6.090 1.00 0.00 C ATOM 1389 O GLY A 83 1.847 0.982 -5.198 1.00 0.00 O ATOM 0 H GLY A 83 5.267 1.443 -5.521 1.00 0.00 H new ATOM 0 HA2 GLY A 83 3.520 1.175 -7.845 1.00 0.00 H new ATOM 0 HA3 GLY A 83 3.760 0.037 -6.535 1.00 0.00 H new ATOM 1393 N ARG A 84 1.979 2.765 -6.509 1.00 0.00 N ATOM 1394 CA ARG A 84 0.738 3.336 -6.043 1.00 0.00 C ATOM 1395 C ARG A 84 -0.275 3.198 -7.159 1.00 0.00 C ATOM 1396 O ARG A 84 -0.990 4.135 -7.512 1.00 0.00 O ATOM 1397 CB ARG A 84 0.953 4.792 -5.614 1.00 0.00 C ATOM 1398 CG ARG A 84 2.164 5.442 -6.267 1.00 0.00 C ATOM 1399 CD ARG A 84 2.547 6.733 -5.566 1.00 0.00 C ATOM 1400 NE ARG A 84 3.792 7.297 -6.084 1.00 0.00 N ATOM 1401 CZ ARG A 84 3.921 8.559 -6.491 1.00 0.00 C ATOM 1402 NH1 ARG A 84 2.861 9.351 -6.546 1.00 0.00 N ATOM 1403 NH2 ARG A 84 5.101 9.021 -6.874 1.00 0.00 N ATOM 0 H ARG A 84 2.481 3.343 -7.183 1.00 0.00 H new ATOM 0 HA ARG A 84 0.365 2.813 -5.162 1.00 0.00 H new ATOM 0 HB2 ARG A 84 0.063 5.371 -5.860 1.00 0.00 H new ATOM 0 HB3 ARG A 84 1.069 4.830 -4.531 1.00 0.00 H new ATOM 0 HG2 ARG A 84 3.006 4.750 -6.244 1.00 0.00 H new ATOM 0 HG3 ARG A 84 1.948 5.646 -7.316 1.00 0.00 H new ATOM 0 HD2 ARG A 84 1.744 7.460 -5.685 1.00 0.00 H new ATOM 0 HD3 ARG A 84 2.652 6.546 -4.497 1.00 0.00 H new ATOM 0 HE ARG A 84 4.609 6.689 -6.137 1.00 0.00 H new ATOM 0 HH11 ARG A 84 1.944 8.995 -6.276 1.00 0.00 H new ATOM 0 HH12 ARG A 84 2.962 10.317 -6.858 1.00 0.00 H new ATOM 0 HH21 ARG A 84 5.917 8.410 -6.858 1.00 0.00 H new ATOM 0 HH22 ARG A 84 5.194 9.988 -7.185 1.00 0.00 H new ATOM 1417 N LYS A 85 -0.320 1.985 -7.701 1.00 0.00 N ATOM 1418 CA LYS A 85 -1.075 1.704 -8.905 1.00 0.00 C ATOM 1419 C LYS A 85 -2.212 0.733 -8.621 1.00 0.00 C ATOM 1420 O LYS A 85 -2.065 -0.199 -7.827 1.00 0.00 O ATOM 1421 CB LYS A 85 -0.152 1.114 -9.977 1.00 0.00 C ATOM 1422 CG LYS A 85 -0.454 1.655 -11.364 1.00 0.00 C ATOM 1423 CD LYS A 85 0.679 1.409 -12.337 1.00 0.00 C ATOM 1424 CE LYS A 85 0.408 2.088 -13.669 1.00 0.00 C ATOM 1425 NZ LYS A 85 1.622 2.156 -14.522 1.00 0.00 N ATOM 0 H LYS A 85 0.166 1.175 -7.315 1.00 0.00 H new ATOM 0 HA LYS A 85 -1.500 2.641 -9.265 1.00 0.00 H new ATOM 0 HB2 LYS A 85 0.884 1.335 -9.722 1.00 0.00 H new ATOM 0 HB3 LYS A 85 -0.254 0.029 -9.983 1.00 0.00 H new ATOM 0 HG2 LYS A 85 -1.363 1.188 -11.743 1.00 0.00 H new ATOM 0 HG3 LYS A 85 -0.648 2.726 -11.299 1.00 0.00 H new ATOM 0 HD2 LYS A 85 1.612 1.784 -11.917 1.00 0.00 H new ATOM 0 HD3 LYS A 85 0.806 0.337 -12.490 1.00 0.00 H new ATOM 0 HE2 LYS A 85 -0.376 1.546 -14.198 1.00 0.00 H new ATOM 0 HE3 LYS A 85 0.034 3.096 -13.491 1.00 0.00 H new ATOM 0 HZ1 LYS A 85 1.390 2.627 -15.420 1.00 0.00 H new ATOM 0 HZ2 LYS A 85 2.362 2.695 -14.030 1.00 0.00 H new ATOM 0 HZ3 LYS A 85 1.965 1.193 -14.715 1.00 0.00 H new ATOM 1439 N CYS A 86 -3.347 0.952 -9.264 1.00 0.00 N ATOM 1440 CA CYS A 86 -4.465 0.037 -9.141 1.00 0.00 C ATOM 1441 C CYS A 86 -4.641 -0.741 -10.432 1.00 0.00 C ATOM 1442 O CYS A 86 -4.642 -0.170 -11.522 1.00 0.00 O ATOM 1443 CB CYS A 86 -5.760 0.779 -8.811 1.00 0.00 C ATOM 1444 SG CYS A 86 -5.570 2.091 -7.560 1.00 0.00 S ATOM 0 H CYS A 86 -3.516 1.752 -9.873 1.00 0.00 H new ATOM 0 HA CYS A 86 -4.247 -0.649 -8.323 1.00 0.00 H new ATOM 0 HB2 CYS A 86 -6.157 1.219 -9.726 1.00 0.00 H new ATOM 0 HB3 CYS A 86 -6.498 0.059 -8.457 1.00 0.00 H new ATOM 1449 N ARG A 87 -4.781 -2.041 -10.302 1.00 0.00 N ATOM 1450 CA ARG A 87 -5.032 -2.906 -11.436 1.00 0.00 C ATOM 1451 C ARG A 87 -6.240 -3.770 -11.128 1.00 0.00 C ATOM 1452 O ARG A 87 -6.123 -4.928 -10.739 1.00 0.00 O ATOM 1453 CB ARG A 87 -3.795 -3.744 -11.784 1.00 0.00 C ATOM 1454 CG ARG A 87 -2.718 -2.937 -12.496 1.00 0.00 C ATOM 1455 CD ARG A 87 -1.551 -3.801 -12.950 1.00 0.00 C ATOM 1456 NE ARG A 87 -0.665 -3.072 -13.859 1.00 0.00 N ATOM 1457 CZ ARG A 87 0.546 -3.486 -14.232 1.00 0.00 C ATOM 1458 NH1 ARG A 87 1.074 -4.590 -13.719 1.00 0.00 N ATOM 1459 NH2 ARG A 87 1.242 -2.775 -15.103 1.00 0.00 N ATOM 0 H ARG A 87 -4.724 -2.530 -9.408 1.00 0.00 H new ATOM 0 HA ARG A 87 -5.245 -2.303 -12.319 1.00 0.00 H new ATOM 0 HB2 ARG A 87 -3.380 -4.168 -10.870 1.00 0.00 H new ATOM 0 HB3 ARG A 87 -4.094 -4.580 -12.416 1.00 0.00 H new ATOM 0 HG2 ARG A 87 -3.154 -2.437 -13.361 1.00 0.00 H new ATOM 0 HG3 ARG A 87 -2.351 -2.157 -11.829 1.00 0.00 H new ATOM 0 HD2 ARG A 87 -0.986 -4.137 -12.081 1.00 0.00 H new ATOM 0 HD3 ARG A 87 -1.930 -4.694 -13.448 1.00 0.00 H new ATOM 0 HE ARG A 87 -0.998 -2.184 -14.234 1.00 0.00 H new ATOM 0 HH11 ARG A 87 0.552 -5.133 -13.031 1.00 0.00 H new ATOM 0 HH12 ARG A 87 2.002 -4.896 -14.013 1.00 0.00 H new ATOM 0 HH21 ARG A 87 0.852 -1.914 -15.486 1.00 0.00 H new ATOM 0 HH22 ARG A 87 2.169 -3.088 -15.392 1.00 0.00 H new