USER MOD reduce.3.24.130724 H: found=0, std=0, add=547, rem=0, adj=14 USER MOD reduce.3.24.130724 removed 547 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 22 THR OG1 : rot -66:sc= 1.37 USER MOD Set 1.2: A 25 ASN : amide:sc= 1.07 K(o=2.4,f=1.5) USER MOD Single : A 1 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Single : A 1 MET N :NH3+ -167:sc= 2.33 (180deg=2.07) USER MOD Single : A 2 GLN : amide:sc= 0 K(o=0,f=-0.65) USER MOD Single : A 6 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 11 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 12 THR OG1 : rot 180:sc= 0 USER MOD Single : A 14 THR OG1 : rot 180:sc= 0 USER MOD Single : A 20 SER OG : rot 180:sc= 0.00313 USER MOD Single : A 27 LYS NZ :NH3+ -151:sc= 0.966 (180deg=-0.209!) USER MOD Single : A 29 LYS NZ :NH3+ 174:sc= 2.37 (180deg=2.28) USER MOD Single : A 31 GLN : amide:sc=-0.00358 K(o=-0.0036,f=-2.3) USER MOD Single : A 33 LYS NZ :NH3+ 177:sc= 1.21 (180deg=1.2) USER MOD Single : A 40 GLN : amide:sc= -0.0219 X(o=-0.022,f=-0.022) USER MOD Single : A 41 GLN : amide:sc= 0.794 K(o=0.79,f=-3.5!) USER MOD Single : A 48 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 49 GLN : amide:sc= 0.732 K(o=0.73,f=-4.2!) USER MOD Single : A 55 THR OG1 : rot -64:sc= 1.23 USER MOD Single : A 57 SER OG : rot 64:sc= 1.29 USER MOD Single : A 59 TYR OH : rot 68:sc= 0.5 USER MOD Single : A 60 ASN : amide:sc= 0 X(o=0,f=-0.24) USER MOD Single : A 62 GLN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 63 LYS NZ :NH3+ -177:sc= 1.26 (180deg=1.21) USER MOD Single : A 65 SER OG : rot 58:sc= 0.531 USER MOD Single : A 66 THR OG1 : rot 180:sc= 0 USER MOD Single : A 68 HIS : no HD1:sc= -0.186 X(o=-0.19,f=0) USER MOD ----------------------------------------------------------------- ATOM 1 N MET A 1 33.156 52.284 19.314 1.00 0.00 N ATOM 2 CA MET A 1 33.416 52.588 20.729 1.00 0.00 C ATOM 3 C MET A 1 34.911 52.788 20.983 1.00 0.00 C ATOM 4 O MET A 1 35.739 52.194 20.294 1.00 0.00 O ATOM 5 CB MET A 1 32.820 51.556 21.683 1.00 0.00 C ATOM 6 CG MET A 1 33.461 50.173 21.638 1.00 0.00 C ATOM 7 SD MET A 1 32.824 49.034 22.891 1.00 0.00 S ATOM 8 CE MET A 1 33.962 47.646 22.657 1.00 0.00 C ATOM 0 H1 MET A 1 32.138 52.370 19.122 1.00 0.00 H new ATOM 0 H2 MET A 1 33.679 52.953 18.713 1.00 0.00 H new ATOM 0 H3 MET A 1 33.467 51.314 19.104 1.00 0.00 H new ATOM 0 HA MET A 1 32.904 53.526 20.943 1.00 0.00 H new ATOM 0 HB2 MET A 1 32.897 51.940 22.700 1.00 0.00 H new ATOM 0 HB3 MET A 1 31.758 51.452 21.461 1.00 0.00 H new ATOM 0 HG2 MET A 1 33.300 49.740 20.651 1.00 0.00 H new ATOM 0 HG3 MET A 1 34.538 50.277 21.769 1.00 0.00 H new ATOM 0 HE1 MET A 1 33.711 46.848 23.356 1.00 0.00 H new ATOM 0 HE2 MET A 1 33.878 47.274 21.636 1.00 0.00 H new ATOM 0 HE3 MET A 1 34.984 47.979 22.839 1.00 0.00 H new ATOM 20 N GLN A 2 35.260 53.577 21.995 1.00 0.00 N ATOM 21 CA GLN A 2 36.619 53.746 22.466 1.00 0.00 C ATOM 22 C GLN A 2 36.977 52.720 23.543 1.00 0.00 C ATOM 23 O GLN A 2 36.179 52.491 24.448 1.00 0.00 O ATOM 24 CB GLN A 2 36.773 55.157 23.028 1.00 0.00 C ATOM 25 CG GLN A 2 36.725 56.248 21.962 1.00 0.00 C ATOM 26 CD GLN A 2 36.471 57.614 22.602 1.00 0.00 C ATOM 27 OE1 GLN A 2 37.385 58.361 22.945 1.00 0.00 O ATOM 28 NE2 GLN A 2 35.211 57.978 22.824 1.00 0.00 N ATOM 0 H GLN A 2 34.582 54.129 22.520 1.00 0.00 H new ATOM 0 HA GLN A 2 37.297 53.592 21.627 1.00 0.00 H new ATOM 0 HB2 GLN A 2 35.982 55.337 23.756 1.00 0.00 H new ATOM 0 HB3 GLN A 2 37.720 55.225 23.563 1.00 0.00 H new ATOM 0 HG2 GLN A 2 37.665 56.268 21.411 1.00 0.00 H new ATOM 0 HG3 GLN A 2 35.938 56.026 21.241 1.00 0.00 H new ATOM 0 HE21 GLN A 2 34.446 57.365 22.543 1.00 0.00 H new ATOM 0 HE22 GLN A 2 35.010 58.870 23.275 1.00 0.00 H new ATOM 37 N ILE A 3 38.194 52.181 23.503 1.00 0.00 N ATOM 38 CA ILE A 3 38.823 51.516 24.626 1.00 0.00 C ATOM 39 C ILE A 3 40.221 52.080 24.885 1.00 0.00 C ATOM 40 O ILE A 3 40.818 52.685 23.998 1.00 0.00 O ATOM 41 CB ILE A 3 38.822 49.993 24.530 1.00 0.00 C ATOM 42 CG1 ILE A 3 39.945 49.347 23.725 1.00 0.00 C ATOM 43 CG2 ILE A 3 37.467 49.431 24.109 1.00 0.00 C ATOM 44 CD1 ILE A 3 40.110 49.811 22.280 1.00 0.00 C ATOM 0 H ILE A 3 38.778 52.199 22.667 1.00 0.00 H new ATOM 0 HA ILE A 3 38.201 51.737 25.494 1.00 0.00 H new ATOM 0 HB ILE A 3 39.032 49.706 25.560 1.00 0.00 H new ATOM 0 HG12 ILE A 3 40.884 49.525 24.248 1.00 0.00 H new ATOM 0 HG13 ILE A 3 39.783 48.269 23.719 1.00 0.00 H new ATOM 0 HG21 ILE A 3 37.524 48.344 24.057 1.00 0.00 H new ATOM 0 HG22 ILE A 3 36.711 49.720 24.839 1.00 0.00 H new ATOM 0 HG23 ILE A 3 37.197 49.827 23.130 1.00 0.00 H new ATOM 0 HD11 ILE A 3 40.941 49.277 21.819 1.00 0.00 H new ATOM 0 HD12 ILE A 3 39.194 49.606 21.725 1.00 0.00 H new ATOM 0 HD13 ILE A 3 40.313 50.882 22.263 1.00 0.00 H new ATOM 56 N PHE A 4 40.746 51.870 26.090 1.00 0.00 N ATOM 57 CA PHE A 4 42.062 52.323 26.489 1.00 0.00 C ATOM 58 C PHE A 4 43.088 51.190 26.546 1.00 0.00 C ATOM 59 O PHE A 4 42.780 50.075 26.962 1.00 0.00 O ATOM 60 CB PHE A 4 41.988 53.054 27.826 1.00 0.00 C ATOM 61 CG PHE A 4 41.022 54.214 27.864 1.00 0.00 C ATOM 62 CD1 PHE A 4 41.230 55.322 27.033 1.00 0.00 C ATOM 63 CD2 PHE A 4 39.930 54.196 28.740 1.00 0.00 C ATOM 64 CE1 PHE A 4 40.351 56.411 27.080 1.00 0.00 C ATOM 65 CE2 PHE A 4 39.057 55.289 28.797 1.00 0.00 C ATOM 66 CZ PHE A 4 39.271 56.397 27.970 1.00 0.00 C ATOM 0 H PHE A 4 40.251 51.368 26.827 1.00 0.00 H new ATOM 0 HA PHE A 4 42.407 53.015 25.721 1.00 0.00 H new ATOM 0 HB2 PHE A 4 41.705 52.339 28.599 1.00 0.00 H new ATOM 0 HB3 PHE A 4 42.983 53.420 28.079 1.00 0.00 H new ATOM 0 HD1 PHE A 4 42.070 55.337 26.354 1.00 0.00 H new ATOM 0 HD2 PHE A 4 39.761 53.337 29.373 1.00 0.00 H new ATOM 0 HE1 PHE A 4 40.506 57.260 26.431 1.00 0.00 H new ATOM 0 HE2 PHE A 4 38.219 55.277 29.479 1.00 0.00 H new ATOM 0 HZ PHE A 4 38.602 57.243 28.018 1.00 0.00 H new ATOM 76 N VAL A 5 44.330 51.489 26.177 1.00 0.00 N ATOM 77 CA VAL A 5 45.476 50.607 26.270 1.00 0.00 C ATOM 78 C VAL A 5 46.621 51.344 26.968 1.00 0.00 C ATOM 79 O VAL A 5 46.986 52.443 26.554 1.00 0.00 O ATOM 80 CB VAL A 5 45.909 50.089 24.902 1.00 0.00 C ATOM 81 CG1 VAL A 5 47.111 49.156 25.007 1.00 0.00 C ATOM 82 CG2 VAL A 5 44.801 49.311 24.197 1.00 0.00 C ATOM 0 H VAL A 5 44.570 52.400 25.786 1.00 0.00 H new ATOM 0 HA VAL A 5 45.195 49.733 26.858 1.00 0.00 H new ATOM 0 HB VAL A 5 46.162 50.980 24.328 1.00 0.00 H new ATOM 0 HG11 VAL A 5 47.389 48.808 24.012 1.00 0.00 H new ATOM 0 HG12 VAL A 5 47.950 49.692 25.452 1.00 0.00 H new ATOM 0 HG13 VAL A 5 46.854 48.301 25.632 1.00 0.00 H new ATOM 0 HG21 VAL A 5 45.160 48.964 23.228 1.00 0.00 H new ATOM 0 HG22 VAL A 5 44.514 48.454 24.806 1.00 0.00 H new ATOM 0 HG23 VAL A 5 43.936 49.959 24.053 1.00 0.00 H new ATOM 92 N LYS A 6 47.200 50.745 28.004 1.00 0.00 N ATOM 93 CA LYS A 6 48.366 51.233 28.712 1.00 0.00 C ATOM 94 C LYS A 6 49.633 50.465 28.325 1.00 0.00 C ATOM 95 O LYS A 6 49.611 49.239 28.254 1.00 0.00 O ATOM 96 CB LYS A 6 48.128 51.169 30.217 1.00 0.00 C ATOM 97 CG LYS A 6 47.141 52.232 30.692 1.00 0.00 C ATOM 98 CD LYS A 6 46.816 52.058 32.174 1.00 0.00 C ATOM 99 CE LYS A 6 45.903 53.183 32.657 1.00 0.00 C ATOM 100 NZ LYS A 6 45.400 52.908 34.011 1.00 0.00 N ATOM 0 H LYS A 6 46.849 49.867 28.386 1.00 0.00 H new ATOM 0 HA LYS A 6 48.524 52.272 28.422 1.00 0.00 H new ATOM 0 HB2 LYS A 6 47.750 50.181 30.481 1.00 0.00 H new ATOM 0 HB3 LYS A 6 49.076 51.298 30.739 1.00 0.00 H new ATOM 0 HG2 LYS A 6 47.560 53.224 30.523 1.00 0.00 H new ATOM 0 HG3 LYS A 6 46.224 52.169 30.106 1.00 0.00 H new ATOM 0 HD2 LYS A 6 46.333 51.095 32.336 1.00 0.00 H new ATOM 0 HD3 LYS A 6 47.737 52.054 32.756 1.00 0.00 H new ATOM 0 HE2 LYS A 6 46.449 54.127 32.652 1.00 0.00 H new ATOM 0 HE3 LYS A 6 45.065 53.296 31.970 1.00 0.00 H new ATOM 0 HZ1 LYS A 6 44.782 53.687 34.317 1.00 0.00 H new ATOM 0 HZ2 LYS A 6 44.860 52.019 34.007 1.00 0.00 H new ATOM 0 HZ3 LYS A 6 46.201 52.823 34.669 1.00 0.00 H new ATOM 168 N LYS A 11 52.442 55.036 29.372 1.00 0.00 N ATOM 169 CA LYS A 11 51.697 55.871 28.452 1.00 0.00 C ATOM 170 C LYS A 11 50.333 55.255 28.140 1.00 0.00 C ATOM 171 O LYS A 11 50.233 54.037 28.006 1.00 0.00 O ATOM 172 CB LYS A 11 52.524 56.059 27.184 1.00 0.00 C ATOM 173 CG LYS A 11 52.075 57.190 26.264 1.00 0.00 C ATOM 174 CD LYS A 11 52.419 58.573 26.810 1.00 0.00 C ATOM 175 CE LYS A 11 52.055 59.639 25.782 1.00 0.00 C ATOM 176 NZ LYS A 11 52.072 60.987 26.370 1.00 0.00 N ATOM 0 HA LYS A 11 51.510 56.844 28.907 1.00 0.00 H new ATOM 0 HB2 LYS A 11 53.560 56.238 27.471 1.00 0.00 H new ATOM 0 HB3 LYS A 11 52.506 55.127 26.619 1.00 0.00 H new ATOM 0 HG2 LYS A 11 52.542 57.064 25.287 1.00 0.00 H new ATOM 0 HG3 LYS A 11 50.998 57.122 26.113 1.00 0.00 H new ATOM 0 HD2 LYS A 11 51.879 58.752 27.740 1.00 0.00 H new ATOM 0 HD3 LYS A 11 53.482 58.628 27.043 1.00 0.00 H new ATOM 0 HE2 LYS A 11 52.756 59.596 24.949 1.00 0.00 H new ATOM 0 HE3 LYS A 11 51.065 59.431 25.376 1.00 0.00 H new ATOM 0 HZ1 LYS A 11 51.820 61.686 25.643 1.00 0.00 H new ATOM 0 HZ2 LYS A 11 51.385 61.035 27.149 1.00 0.00 H new ATOM 0 HZ3 LYS A 11 53.024 61.195 26.735 1.00 0.00 H new ATOM 190 N THR A 12 49.298 56.079 27.993 1.00 0.00 N ATOM 191 CA THR A 12 47.959 55.670 27.622 1.00 0.00 C ATOM 192 C THR A 12 47.666 55.953 26.147 1.00 0.00 C ATOM 193 O THR A 12 48.095 56.972 25.609 1.00 0.00 O ATOM 194 CB THR A 12 46.924 56.324 28.532 1.00 0.00 C ATOM 195 OG1 THR A 12 47.221 56.013 29.874 1.00 0.00 O ATOM 196 CG2 THR A 12 45.495 55.845 28.290 1.00 0.00 C ATOM 0 H THR A 12 49.379 57.086 28.136 1.00 0.00 H new ATOM 0 HA THR A 12 47.893 54.590 27.756 1.00 0.00 H new ATOM 0 HB THR A 12 46.976 57.391 28.314 1.00 0.00 H new ATOM 0 HG1 THR A 12 46.559 56.433 30.461 1.00 0.00 H new ATOM 0 HG21 THR A 12 44.819 56.356 28.975 1.00 0.00 H new ATOM 0 HG22 THR A 12 45.206 56.067 27.263 1.00 0.00 H new ATOM 0 HG23 THR A 12 45.438 54.770 28.459 1.00 0.00 H new ATOM 204 N ILE A 13 46.930 55.055 25.499 1.00 0.00 N ATOM 205 CA ILE A 13 46.508 55.084 24.113 1.00 0.00 C ATOM 206 C ILE A 13 45.001 54.824 24.062 1.00 0.00 C ATOM 207 O ILE A 13 44.508 53.954 24.776 1.00 0.00 O ATOM 208 CB ILE A 13 47.266 54.024 23.319 1.00 0.00 C ATOM 209 CG1 ILE A 13 48.783 54.183 23.357 1.00 0.00 C ATOM 210 CG2 ILE A 13 46.825 53.996 21.858 1.00 0.00 C ATOM 211 CD1 ILE A 13 49.531 52.864 23.187 1.00 0.00 C ATOM 0 H ILE A 13 46.588 54.220 25.975 1.00 0.00 H new ATOM 0 HA ILE A 13 46.724 56.056 23.670 1.00 0.00 H new ATOM 0 HB ILE A 13 47.015 53.086 23.814 1.00 0.00 H new ATOM 0 HG12 ILE A 13 49.089 54.871 22.569 1.00 0.00 H new ATOM 0 HG13 ILE A 13 49.071 54.636 24.306 1.00 0.00 H new ATOM 0 HG21 ILE A 13 47.386 53.229 21.323 1.00 0.00 H new ATOM 0 HG22 ILE A 13 45.760 53.771 21.804 1.00 0.00 H new ATOM 0 HG23 ILE A 13 47.014 54.968 21.402 1.00 0.00 H new ATOM 0 HD11 ILE A 13 50.605 53.047 23.223 1.00 0.00 H new ATOM 0 HD12 ILE A 13 49.252 52.181 23.990 1.00 0.00 H new ATOM 0 HD13 ILE A 13 49.271 52.420 22.226 1.00 0.00 H new ATOM 223 N THR A 14 44.272 55.519 23.193 1.00 0.00 N ATOM 224 CA THR A 14 42.886 55.255 22.862 1.00 0.00 C ATOM 225 C THR A 14 42.779 54.645 21.463 1.00 0.00 C ATOM 226 O THR A 14 43.455 55.118 20.552 1.00 0.00 O ATOM 227 CB THR A 14 42.047 56.529 22.889 1.00 0.00 C ATOM 228 OG1 THR A 14 42.309 57.321 24.026 1.00 0.00 O ATOM 229 CG2 THR A 14 40.546 56.256 22.909 1.00 0.00 C ATOM 0 H THR A 14 44.653 56.315 22.681 1.00 0.00 H new ATOM 0 HA THR A 14 42.508 54.561 23.612 1.00 0.00 H new ATOM 0 HB THR A 14 42.331 57.046 21.972 1.00 0.00 H new ATOM 0 HG1 THR A 14 41.751 58.126 24.000 1.00 0.00 H new ATOM 0 HG21 THR A 14 40.004 57.202 22.928 1.00 0.00 H new ATOM 0 HG22 THR A 14 40.266 55.695 22.017 1.00 0.00 H new ATOM 0 HG23 THR A 14 40.294 55.676 23.796 1.00 0.00 H new ATOM 237 N LEU A 15 41.932 53.638 21.269 1.00 0.00 N ATOM 238 CA LEU A 15 41.614 53.100 19.961 1.00 0.00 C ATOM 239 C LEU A 15 40.110 52.929 19.739 1.00 0.00 C ATOM 240 O LEU A 15 39.353 52.669 20.671 1.00 0.00 O ATOM 241 CB LEU A 15 42.345 51.791 19.682 1.00 0.00 C ATOM 242 CG LEU A 15 43.864 51.823 19.832 1.00 0.00 C ATOM 243 CD1 LEU A 15 44.305 51.308 21.198 1.00 0.00 C ATOM 244 CD2 LEU A 15 44.540 50.965 18.766 1.00 0.00 C ATOM 0 H LEU A 15 41.443 53.170 22.032 1.00 0.00 H new ATOM 0 HA LEU A 15 41.967 53.844 19.247 1.00 0.00 H new ATOM 0 HB2 LEU A 15 41.950 51.028 20.353 1.00 0.00 H new ATOM 0 HB3 LEU A 15 42.107 51.476 18.666 1.00 0.00 H new ATOM 0 HG LEU A 15 44.162 52.866 19.720 1.00 0.00 H new ATOM 0 HD11 LEU A 15 45.392 51.346 21.268 1.00 0.00 H new ATOM 0 HD12 LEU A 15 43.869 51.931 21.980 1.00 0.00 H new ATOM 0 HD13 LEU A 15 43.969 50.279 21.325 1.00 0.00 H new ATOM 0 HD21 LEU A 15 45.621 51.007 18.897 1.00 0.00 H new ATOM 0 HD22 LEU A 15 44.202 49.933 18.862 1.00 0.00 H new ATOM 0 HD23 LEU A 15 44.280 51.342 17.777 1.00 0.00 H new ATOM 256 N GLU A 16 39.703 53.034 18.477 1.00 0.00 N ATOM 257 CA GLU A 16 38.343 52.882 18.003 1.00 0.00 C ATOM 258 C GLU A 16 38.083 51.460 17.499 1.00 0.00 C ATOM 259 O GLU A 16 38.770 50.974 16.603 1.00 0.00 O ATOM 260 CB GLU A 16 38.118 53.936 16.922 1.00 0.00 C ATOM 261 CG GLU A 16 36.760 53.904 16.225 1.00 0.00 C ATOM 262 CD GLU A 16 35.594 54.127 17.189 1.00 0.00 C ATOM 263 OE1 GLU A 16 34.664 53.292 17.217 1.00 0.00 O ATOM 264 OE2 GLU A 16 35.588 55.157 17.898 1.00 0.00 O ATOM 0 H GLU A 16 40.355 53.239 17.720 1.00 0.00 H new ATOM 0 HA GLU A 16 37.632 53.035 18.815 1.00 0.00 H new ATOM 0 HB2 GLU A 16 38.250 54.921 17.370 1.00 0.00 H new ATOM 0 HB3 GLU A 16 38.895 53.823 16.166 1.00 0.00 H new ATOM 0 HG2 GLU A 16 36.736 54.670 15.450 1.00 0.00 H new ATOM 0 HG3 GLU A 16 36.635 52.943 15.727 1.00 0.00 H new ATOM 271 N VAL A 17 37.089 50.792 18.077 1.00 0.00 N ATOM 272 CA VAL A 17 36.729 49.408 17.840 1.00 0.00 C ATOM 273 C VAL A 17 35.212 49.210 17.869 1.00 0.00 C ATOM 274 O VAL A 17 34.488 50.013 18.453 1.00 0.00 O ATOM 275 CB VAL A 17 37.364 48.491 18.881 1.00 0.00 C ATOM 276 CG1 VAL A 17 38.889 48.505 18.819 1.00 0.00 C ATOM 277 CG2 VAL A 17 36.917 48.816 20.304 1.00 0.00 C ATOM 0 H VAL A 17 36.479 51.235 18.765 1.00 0.00 H new ATOM 0 HA VAL A 17 37.104 49.151 16.849 1.00 0.00 H new ATOM 0 HB VAL A 17 37.012 47.491 18.627 1.00 0.00 H new ATOM 0 HG11 VAL A 17 39.290 47.836 19.580 1.00 0.00 H new ATOM 0 HG12 VAL A 17 39.216 48.172 17.834 1.00 0.00 H new ATOM 0 HG13 VAL A 17 39.251 49.517 18.998 1.00 0.00 H new ATOM 0 HG21 VAL A 17 37.400 48.132 21.002 1.00 0.00 H new ATOM 0 HG22 VAL A 17 37.196 49.841 20.548 1.00 0.00 H new ATOM 0 HG23 VAL A 17 35.835 48.707 20.379 1.00 0.00 H new ATOM 287 N GLU A 18 34.717 48.106 17.316 1.00 0.00 N ATOM 288 CA GLU A 18 33.401 47.580 17.618 1.00 0.00 C ATOM 289 C GLU A 18 33.526 46.404 18.588 1.00 0.00 C ATOM 290 O GLU A 18 34.591 45.795 18.654 1.00 0.00 O ATOM 291 CB GLU A 18 32.688 47.163 16.335 1.00 0.00 C ATOM 292 CG GLU A 18 32.555 48.248 15.270 1.00 0.00 C ATOM 293 CD GLU A 18 31.879 49.534 15.752 1.00 0.00 C ATOM 294 OE1 GLU A 18 30.913 49.475 16.544 1.00 0.00 O ATOM 295 OE2 GLU A 18 32.284 50.627 15.301 1.00 0.00 O ATOM 0 H GLU A 18 35.232 47.547 16.635 1.00 0.00 H new ATOM 0 HA GLU A 18 32.803 48.357 18.093 1.00 0.00 H new ATOM 0 HB2 GLU A 18 33.223 46.318 15.902 1.00 0.00 H new ATOM 0 HB3 GLU A 18 31.690 46.809 16.594 1.00 0.00 H new ATOM 0 HG2 GLU A 18 33.548 48.494 14.894 1.00 0.00 H new ATOM 0 HG3 GLU A 18 31.987 47.847 14.430 1.00 0.00 H new ATOM 302 N PRO A 19 32.488 45.997 19.315 1.00 0.00 N ATOM 303 CA PRO A 19 32.545 44.829 20.171 1.00 0.00 C ATOM 304 C PRO A 19 32.877 43.511 19.468 1.00 0.00 C ATOM 305 O PRO A 19 33.239 42.538 20.127 1.00 0.00 O ATOM 306 CB PRO A 19 31.193 44.770 20.876 1.00 0.00 C ATOM 307 CG PRO A 19 30.706 46.216 20.844 1.00 0.00 C ATOM 308 CD PRO A 19 31.233 46.698 19.496 1.00 0.00 C ATOM 0 HA PRO A 19 33.379 44.940 20.864 1.00 0.00 H new ATOM 0 HB2 PRO A 19 30.502 44.103 20.361 1.00 0.00 H new ATOM 0 HB3 PRO A 19 31.290 44.402 21.898 1.00 0.00 H new ATOM 0 HG2 PRO A 19 29.620 46.282 20.905 1.00 0.00 H new ATOM 0 HG3 PRO A 19 31.108 46.800 21.672 1.00 0.00 H new ATOM 0 HD2 PRO A 19 30.533 46.468 18.693 1.00 0.00 H new ATOM 0 HD3 PRO A 19 31.379 47.778 19.492 1.00 0.00 H new ATOM 316 N SER A 20 32.774 43.475 18.142 1.00 0.00 N ATOM 317 CA SER A 20 33.145 42.374 17.278 1.00 0.00 C ATOM 318 C SER A 20 34.616 42.349 16.855 1.00 0.00 C ATOM 319 O SER A 20 35.029 41.381 16.221 1.00 0.00 O ATOM 320 CB SER A 20 32.262 42.394 16.033 1.00 0.00 C ATOM 321 OG SER A 20 32.403 43.612 15.337 1.00 0.00 O ATOM 0 H SER A 20 32.405 44.267 17.616 1.00 0.00 H new ATOM 0 HA SER A 20 32.994 41.471 17.869 1.00 0.00 H new ATOM 0 HB2 SER A 20 32.529 41.564 15.379 1.00 0.00 H new ATOM 0 HB3 SER A 20 31.220 42.252 16.319 1.00 0.00 H new ATOM 0 HG SER A 20 31.830 43.603 14.542 1.00 0.00 H new ATOM 327 N ASP A 21 35.416 43.365 17.164 1.00 0.00 N ATOM 328 CA ASP A 21 36.821 43.401 16.811 1.00 0.00 C ATOM 329 C ASP A 21 37.570 42.210 17.416 1.00 0.00 C ATOM 330 O ASP A 21 37.371 41.883 18.584 1.00 0.00 O ATOM 331 CB ASP A 21 37.481 44.704 17.253 1.00 0.00 C ATOM 332 CG ASP A 21 37.377 45.825 16.216 1.00 0.00 C ATOM 333 OD1 ASP A 21 36.261 46.181 15.782 1.00 0.00 O ATOM 334 OD2 ASP A 21 38.429 46.346 15.786 1.00 0.00 O ATOM 0 H ASP A 21 35.099 44.191 17.671 1.00 0.00 H new ATOM 0 HA ASP A 21 36.877 43.341 15.724 1.00 0.00 H new ATOM 0 HB2 ASP A 21 37.021 45.037 18.183 1.00 0.00 H new ATOM 0 HB3 ASP A 21 38.533 44.515 17.467 1.00 0.00 H new ATOM 339 N THR A 22 38.443 41.572 16.642 1.00 0.00 N ATOM 340 CA THR A 22 39.299 40.526 17.165 1.00 0.00 C ATOM 341 C THR A 22 40.574 41.085 17.801 1.00 0.00 C ATOM 342 O THR A 22 41.031 42.172 17.452 1.00 0.00 O ATOM 343 CB THR A 22 39.637 39.402 16.191 1.00 0.00 C ATOM 344 OG1 THR A 22 40.676 39.753 15.305 1.00 0.00 O ATOM 345 CG2 THR A 22 38.453 38.910 15.363 1.00 0.00 C ATOM 0 H THR A 22 38.572 41.766 15.649 1.00 0.00 H new ATOM 0 HA THR A 22 38.685 40.063 17.938 1.00 0.00 H new ATOM 0 HB THR A 22 39.956 38.589 16.843 1.00 0.00 H new ATOM 0 HG1 THR A 22 40.371 40.470 14.710 1.00 0.00 H new ATOM 0 HG21 THR A 22 38.781 38.111 14.698 1.00 0.00 H new ATOM 0 HG22 THR A 22 37.676 38.532 16.028 1.00 0.00 H new ATOM 0 HG23 THR A 22 38.055 39.735 14.772 1.00 0.00 H new ATOM 353 N ILE A 23 41.195 40.309 18.684 1.00 0.00 N ATOM 354 CA ILE A 23 42.454 40.662 19.309 1.00 0.00 C ATOM 355 C ILE A 23 43.552 40.871 18.264 1.00 0.00 C ATOM 356 O ILE A 23 44.326 41.821 18.368 1.00 0.00 O ATOM 357 CB ILE A 23 42.811 39.592 20.336 1.00 0.00 C ATOM 358 CG1 ILE A 23 41.714 39.335 21.365 1.00 0.00 C ATOM 359 CG2 ILE A 23 44.143 39.858 21.030 1.00 0.00 C ATOM 360 CD1 ILE A 23 41.206 40.560 22.120 1.00 0.00 C ATOM 0 H ILE A 23 40.829 39.406 18.986 1.00 0.00 H new ATOM 0 HA ILE A 23 42.356 41.615 19.829 1.00 0.00 H new ATOM 0 HB ILE A 23 42.914 38.680 19.748 1.00 0.00 H new ATOM 0 HG12 ILE A 23 40.869 38.869 20.858 1.00 0.00 H new ATOM 0 HG13 ILE A 23 42.087 38.613 22.092 1.00 0.00 H new ATOM 0 HG21 ILE A 23 44.344 39.064 21.749 1.00 0.00 H new ATOM 0 HG22 ILE A 23 44.941 39.885 20.288 1.00 0.00 H new ATOM 0 HG23 ILE A 23 44.098 40.815 21.550 1.00 0.00 H new ATOM 0 HD11 ILE A 23 40.430 40.258 22.823 1.00 0.00 H new ATOM 0 HD12 ILE A 23 42.031 41.019 22.665 1.00 0.00 H new ATOM 0 HD13 ILE A 23 40.794 41.279 21.412 1.00 0.00 H new ATOM 372 N GLU A 24 43.581 40.076 17.198 1.00 0.00 N ATOM 373 CA GLU A 24 44.507 40.259 16.098 1.00 0.00 C ATOM 374 C GLU A 24 44.239 41.536 15.298 1.00 0.00 C ATOM 375 O GLU A 24 45.184 42.199 14.878 1.00 0.00 O ATOM 376 CB GLU A 24 44.501 39.000 15.236 1.00 0.00 C ATOM 377 CG GLU A 24 45.645 38.953 14.228 1.00 0.00 C ATOM 378 CD GLU A 24 45.716 37.608 13.501 1.00 0.00 C ATOM 379 OE1 GLU A 24 44.941 37.390 12.546 1.00 0.00 O ATOM 380 OE2 GLU A 24 46.558 36.756 13.863 1.00 0.00 O ATOM 0 H GLU A 24 42.954 39.281 17.078 1.00 0.00 H new ATOM 0 HA GLU A 24 45.510 40.402 16.501 1.00 0.00 H new ATOM 0 HB2 GLU A 24 44.560 38.125 15.883 1.00 0.00 H new ATOM 0 HB3 GLU A 24 43.553 38.938 14.702 1.00 0.00 H new ATOM 0 HG2 GLU A 24 45.518 39.753 13.498 1.00 0.00 H new ATOM 0 HG3 GLU A 24 46.588 39.137 14.742 1.00 0.00 H new ATOM 387 N ASN A 25 42.983 41.952 15.154 1.00 0.00 N ATOM 388 CA ASN A 25 42.639 43.241 14.589 1.00 0.00 C ATOM 389 C ASN A 25 43.065 44.406 15.483 1.00 0.00 C ATOM 390 O ASN A 25 43.563 45.405 14.969 1.00 0.00 O ATOM 391 CB ASN A 25 41.148 43.347 14.284 1.00 0.00 C ATOM 392 CG ASN A 25 40.672 42.477 13.119 1.00 0.00 C ATOM 393 OD1 ASN A 25 40.119 41.397 13.317 1.00 0.00 O ATOM 394 ND2 ASN A 25 40.869 42.901 11.874 1.00 0.00 N ATOM 0 H ASN A 25 42.174 41.395 15.430 1.00 0.00 H new ATOM 0 HA ASN A 25 43.195 43.311 13.654 1.00 0.00 H new ATOM 0 HB2 ASN A 25 40.587 43.073 15.178 1.00 0.00 H new ATOM 0 HB3 ASN A 25 40.909 44.388 14.065 1.00 0.00 H new ATOM 0 HD21 ASN A 25 40.562 42.331 11.086 1.00 0.00 H new ATOM 0 HD22 ASN A 25 41.328 43.797 11.707 1.00 0.00 H new ATOM 401 N VAL A 26 42.936 44.300 16.803 1.00 0.00 N ATOM 402 CA VAL A 26 43.392 45.337 17.706 1.00 0.00 C ATOM 403 C VAL A 26 44.913 45.491 17.652 1.00 0.00 C ATOM 404 O VAL A 26 45.395 46.621 17.615 1.00 0.00 O ATOM 405 CB VAL A 26 42.888 45.135 19.132 1.00 0.00 C ATOM 406 CG1 VAL A 26 43.431 46.186 20.097 1.00 0.00 C ATOM 407 CG2 VAL A 26 41.366 45.243 19.177 1.00 0.00 C ATOM 0 H VAL A 26 42.514 43.496 17.268 1.00 0.00 H new ATOM 0 HA VAL A 26 42.954 46.274 17.360 1.00 0.00 H new ATOM 0 HB VAL A 26 43.233 44.146 19.435 1.00 0.00 H new ATOM 0 HG11 VAL A 26 43.042 45.997 21.098 1.00 0.00 H new ATOM 0 HG12 VAL A 26 44.520 46.135 20.115 1.00 0.00 H new ATOM 0 HG13 VAL A 26 43.120 47.177 19.768 1.00 0.00 H new ATOM 0 HG21 VAL A 26 41.021 45.097 20.201 1.00 0.00 H new ATOM 0 HG22 VAL A 26 41.061 46.230 18.829 1.00 0.00 H new ATOM 0 HG23 VAL A 26 40.928 44.480 18.534 1.00 0.00 H new ATOM 417 N LYS A 27 45.670 44.406 17.510 1.00 0.00 N ATOM 418 CA LYS A 27 47.093 44.484 17.247 1.00 0.00 C ATOM 419 C LYS A 27 47.406 45.207 15.936 1.00 0.00 C ATOM 420 O LYS A 27 48.319 46.030 15.905 1.00 0.00 O ATOM 421 CB LYS A 27 47.734 43.099 17.258 1.00 0.00 C ATOM 422 CG LYS A 27 47.734 42.460 18.644 1.00 0.00 C ATOM 423 CD LYS A 27 48.302 41.044 18.581 1.00 0.00 C ATOM 424 CE LYS A 27 48.269 40.419 19.973 1.00 0.00 C ATOM 425 NZ LYS A 27 48.657 39.002 19.915 1.00 0.00 N ATOM 0 H LYS A 27 45.310 43.454 17.575 1.00 0.00 H new ATOM 0 HA LYS A 27 47.525 45.075 18.055 1.00 0.00 H new ATOM 0 HB2 LYS A 27 47.200 42.451 16.564 1.00 0.00 H new ATOM 0 HB3 LYS A 27 48.760 43.175 16.898 1.00 0.00 H new ATOM 0 HG2 LYS A 27 48.327 43.065 19.330 1.00 0.00 H new ATOM 0 HG3 LYS A 27 46.718 42.433 19.038 1.00 0.00 H new ATOM 0 HD2 LYS A 27 47.721 40.439 17.885 1.00 0.00 H new ATOM 0 HD3 LYS A 27 49.325 41.068 18.206 1.00 0.00 H new ATOM 0 HE2 LYS A 27 48.945 40.959 20.636 1.00 0.00 H new ATOM 0 HE3 LYS A 27 47.268 40.510 20.395 1.00 0.00 H new ATOM 0 HZ1 LYS A 27 48.189 38.482 20.684 1.00 0.00 H new ATOM 0 HZ2 LYS A 27 48.369 38.600 19.000 1.00 0.00 H new ATOM 0 HZ3 LYS A 27 49.688 38.920 20.020 1.00 0.00 H new ATOM 439 N ALA A 28 46.614 44.979 14.891 1.00 0.00 N ATOM 440 CA ALA A 28 46.731 45.686 13.632 1.00 0.00 C ATOM 441 C ALA A 28 46.330 47.160 13.705 1.00 0.00 C ATOM 442 O ALA A 28 46.741 47.934 12.843 1.00 0.00 O ATOM 443 CB ALA A 28 45.934 44.937 12.568 1.00 0.00 C ATOM 0 H ALA A 28 45.865 44.287 14.902 1.00 0.00 H new ATOM 0 HA ALA A 28 47.787 45.704 13.364 1.00 0.00 H new ATOM 0 HB1 ALA A 28 46.016 45.461 11.616 1.00 0.00 H new ATOM 0 HB2 ALA A 28 46.329 43.927 12.461 1.00 0.00 H new ATOM 0 HB3 ALA A 28 44.887 44.887 12.866 1.00 0.00 H new ATOM 449 N LYS A 29 45.561 47.585 14.703 1.00 0.00 N ATOM 450 CA LYS A 29 45.230 48.970 14.970 1.00 0.00 C ATOM 451 C LYS A 29 46.304 49.682 15.795 1.00 0.00 C ATOM 452 O LYS A 29 46.665 50.812 15.473 1.00 0.00 O ATOM 453 CB LYS A 29 43.850 49.069 15.614 1.00 0.00 C ATOM 454 CG LYS A 29 42.728 48.825 14.610 1.00 0.00 C ATOM 455 CD LYS A 29 41.350 48.809 15.264 1.00 0.00 C ATOM 456 CE LYS A 29 40.279 48.840 14.176 1.00 0.00 C ATOM 457 NZ LYS A 29 38.919 48.827 14.734 1.00 0.00 N ATOM 0 H LYS A 29 45.137 46.943 15.372 1.00 0.00 H new ATOM 0 HA LYS A 29 45.198 49.494 14.015 1.00 0.00 H new ATOM 0 HB2 LYS A 29 43.776 48.343 16.423 1.00 0.00 H new ATOM 0 HB3 LYS A 29 43.729 50.056 16.059 1.00 0.00 H new ATOM 0 HG2 LYS A 29 42.754 49.601 13.845 1.00 0.00 H new ATOM 0 HG3 LYS A 29 42.898 47.874 14.105 1.00 0.00 H new ATOM 0 HD2 LYS A 29 41.236 47.916 15.878 1.00 0.00 H new ATOM 0 HD3 LYS A 29 41.238 49.668 15.926 1.00 0.00 H new ATOM 0 HE2 LYS A 29 40.410 49.733 13.565 1.00 0.00 H new ATOM 0 HE3 LYS A 29 40.408 47.981 13.517 1.00 0.00 H new ATOM 0 HZ1 LYS A 29 38.228 48.951 13.967 1.00 0.00 H new ATOM 0 HZ2 LYS A 29 38.748 47.919 15.210 1.00 0.00 H new ATOM 0 HZ3 LYS A 29 38.818 49.602 15.420 1.00 0.00 H new ATOM 471 N ILE A 30 46.901 49.006 16.773 1.00 0.00 N ATOM 472 CA ILE A 30 48.102 49.454 17.449 1.00 0.00 C ATOM 473 C ILE A 30 49.230 49.655 16.436 1.00 0.00 C ATOM 474 O ILE A 30 49.895 50.689 16.448 1.00 0.00 O ATOM 475 CB ILE A 30 48.501 48.477 18.552 1.00 0.00 C ATOM 476 CG1 ILE A 30 47.521 48.452 19.722 1.00 0.00 C ATOM 477 CG2 ILE A 30 49.921 48.705 19.062 1.00 0.00 C ATOM 478 CD1 ILE A 30 47.597 49.627 20.693 1.00 0.00 C ATOM 0 H ILE A 30 46.551 48.113 17.121 1.00 0.00 H new ATOM 0 HA ILE A 30 47.902 50.414 17.926 1.00 0.00 H new ATOM 0 HB ILE A 30 48.467 47.498 18.073 1.00 0.00 H new ATOM 0 HG12 ILE A 30 46.509 48.406 19.320 1.00 0.00 H new ATOM 0 HG13 ILE A 30 47.683 47.532 20.284 1.00 0.00 H new ATOM 0 HG21 ILE A 30 50.147 47.981 19.844 1.00 0.00 H new ATOM 0 HG22 ILE A 30 50.627 48.584 18.240 1.00 0.00 H new ATOM 0 HG23 ILE A 30 50.005 49.714 19.466 1.00 0.00 H new ATOM 0 HD11 ILE A 30 46.854 49.497 21.480 1.00 0.00 H new ATOM 0 HD12 ILE A 30 48.592 49.669 21.137 1.00 0.00 H new ATOM 0 HD13 ILE A 30 47.400 50.555 20.157 1.00 0.00 H new ATOM 490 N GLN A 31 49.417 48.712 15.517 1.00 0.00 N ATOM 491 CA GLN A 31 50.375 48.806 14.434 1.00 0.00 C ATOM 492 C GLN A 31 50.159 50.046 13.563 1.00 0.00 C ATOM 493 O GLN A 31 51.140 50.697 13.210 1.00 0.00 O ATOM 494 CB GLN A 31 50.262 47.534 13.598 1.00 0.00 C ATOM 495 CG GLN A 31 51.254 47.429 12.443 1.00 0.00 C ATOM 496 CD GLN A 31 50.914 46.282 11.491 1.00 0.00 C ATOM 497 OE1 GLN A 31 49.866 45.645 11.578 1.00 0.00 O ATOM 498 NE2 GLN A 31 51.755 46.019 10.495 1.00 0.00 N ATOM 0 H GLN A 31 48.889 47.839 15.510 1.00 0.00 H new ATOM 0 HA GLN A 31 51.375 48.907 14.856 1.00 0.00 H new ATOM 0 HB2 GLN A 31 50.398 46.674 14.253 1.00 0.00 H new ATOM 0 HB3 GLN A 31 49.251 47.471 13.195 1.00 0.00 H new ATOM 0 HG2 GLN A 31 51.264 48.368 11.889 1.00 0.00 H new ATOM 0 HG3 GLN A 31 52.258 47.283 12.841 1.00 0.00 H new ATOM 0 HE21 GLN A 31 52.627 46.541 10.413 1.00 0.00 H new ATOM 0 HE22 GLN A 31 51.528 45.295 9.813 1.00 0.00 H new ATOM 507 N ASP A 32 48.916 50.392 13.241 1.00 0.00 N ATOM 508 CA ASP A 32 48.608 51.533 12.402 1.00 0.00 C ATOM 509 C ASP A 32 49.020 52.860 13.040 1.00 0.00 C ATOM 510 O ASP A 32 49.743 53.618 12.396 1.00 0.00 O ATOM 511 CB ASP A 32 47.132 51.517 12.013 1.00 0.00 C ATOM 512 CG ASP A 32 46.774 52.691 11.099 1.00 0.00 C ATOM 513 OD1 ASP A 32 46.395 53.763 11.618 1.00 0.00 O ATOM 514 OD2 ASP A 32 46.909 52.564 9.863 1.00 0.00 O ATOM 0 H ASP A 32 48.093 49.882 13.560 1.00 0.00 H new ATOM 0 HA ASP A 32 49.203 51.447 11.493 1.00 0.00 H new ATOM 0 HB2 ASP A 32 46.899 50.579 11.509 1.00 0.00 H new ATOM 0 HB3 ASP A 32 46.518 51.556 12.913 1.00 0.00 H new ATOM 519 N LYS A 33 48.611 53.141 14.274 1.00 0.00 N ATOM 520 CA LYS A 33 48.894 54.406 14.920 1.00 0.00 C ATOM 521 C LYS A 33 50.228 54.469 15.669 1.00 0.00 C ATOM 522 O LYS A 33 50.952 55.448 15.506 1.00 0.00 O ATOM 523 CB LYS A 33 47.715 54.917 15.744 1.00 0.00 C ATOM 524 CG LYS A 33 47.180 54.004 16.843 1.00 0.00 C ATOM 525 CD LYS A 33 46.380 54.761 17.899 1.00 0.00 C ATOM 526 CE LYS A 33 45.155 55.447 17.302 1.00 0.00 C ATOM 527 NZ LYS A 33 44.501 56.366 18.246 1.00 0.00 N ATOM 0 H LYS A 33 48.074 52.493 14.850 1.00 0.00 H new ATOM 0 HA LYS A 33 49.030 55.108 14.097 1.00 0.00 H new ATOM 0 HB2 LYS A 33 48.009 55.861 16.203 1.00 0.00 H new ATOM 0 HB3 LYS A 33 46.896 55.137 15.060 1.00 0.00 H new ATOM 0 HG2 LYS A 33 46.549 53.236 16.396 1.00 0.00 H new ATOM 0 HG3 LYS A 33 48.014 53.492 17.323 1.00 0.00 H new ATOM 0 HD2 LYS A 33 46.064 54.069 18.680 1.00 0.00 H new ATOM 0 HD3 LYS A 33 47.019 55.507 18.373 1.00 0.00 H new ATOM 0 HE2 LYS A 33 45.452 55.999 16.410 1.00 0.00 H new ATOM 0 HE3 LYS A 33 44.439 54.689 16.984 1.00 0.00 H new ATOM 0 HZ1 LYS A 33 43.706 56.842 17.773 1.00 0.00 H new ATOM 0 HZ2 LYS A 33 44.146 55.830 19.063 1.00 0.00 H new ATOM 0 HZ3 LYS A 33 45.187 57.077 18.570 1.00 0.00 H new ATOM 541 N GLU A 34 50.596 53.446 16.435 1.00 0.00 N ATOM 542 CA GLU A 34 51.802 53.435 17.237 1.00 0.00 C ATOM 543 C GLU A 34 53.015 52.858 16.506 1.00 0.00 C ATOM 544 O GLU A 34 54.142 53.078 16.944 1.00 0.00 O ATOM 545 CB GLU A 34 51.574 52.685 18.547 1.00 0.00 C ATOM 546 CG GLU A 34 50.470 53.231 19.448 1.00 0.00 C ATOM 547 CD GLU A 34 50.745 54.651 19.947 1.00 0.00 C ATOM 548 OE1 GLU A 34 51.714 54.836 20.714 1.00 0.00 O ATOM 549 OE2 GLU A 34 50.015 55.593 19.570 1.00 0.00 O ATOM 0 H GLU A 34 50.050 52.588 16.513 1.00 0.00 H new ATOM 0 HA GLU A 34 52.031 54.480 17.448 1.00 0.00 H new ATOM 0 HB2 GLU A 34 51.343 51.646 18.312 1.00 0.00 H new ATOM 0 HB3 GLU A 34 52.508 52.685 19.110 1.00 0.00 H new ATOM 0 HG2 GLU A 34 49.527 53.221 18.902 1.00 0.00 H new ATOM 0 HG3 GLU A 34 50.349 52.569 20.305 1.00 0.00 H new ATOM 556 N GLY A 35 52.828 52.146 15.398 1.00 0.00 N ATOM 557 CA GLY A 35 53.912 51.638 14.581 1.00 0.00 C ATOM 558 C GLY A 35 54.573 50.347 15.070 1.00 0.00 C ATOM 559 O GLY A 35 55.677 50.039 14.626 1.00 0.00 O ATOM 0 H GLY A 35 51.903 51.905 15.042 1.00 0.00 H new ATOM 0 HA2 GLY A 35 53.533 51.469 13.573 1.00 0.00 H new ATOM 0 HA3 GLY A 35 54.678 52.410 14.508 1.00 0.00 H new ATOM 563 N ILE A 36 53.954 49.617 15.993 1.00 0.00 N ATOM 564 CA ILE A 36 54.534 48.477 16.674 1.00 0.00 C ATOM 565 C ILE A 36 54.211 47.181 15.929 1.00 0.00 C ATOM 566 O ILE A 36 53.033 46.925 15.695 1.00 0.00 O ATOM 567 CB ILE A 36 54.070 48.427 18.127 1.00 0.00 C ATOM 568 CG1 ILE A 36 54.386 49.717 18.879 1.00 0.00 C ATOM 569 CG2 ILE A 36 54.698 47.246 18.861 1.00 0.00 C ATOM 570 CD1 ILE A 36 53.724 49.834 20.249 1.00 0.00 C ATOM 0 H ILE A 36 53.000 49.815 16.294 1.00 0.00 H new ATOM 0 HA ILE A 36 55.618 48.588 16.680 1.00 0.00 H new ATOM 0 HB ILE A 36 52.987 48.305 18.102 1.00 0.00 H new ATOM 0 HG12 ILE A 36 55.466 49.793 19.005 1.00 0.00 H new ATOM 0 HG13 ILE A 36 54.076 50.564 18.267 1.00 0.00 H new ATOM 0 HG21 ILE A 36 54.351 47.234 19.894 1.00 0.00 H new ATOM 0 HG22 ILE A 36 54.409 46.317 18.370 1.00 0.00 H new ATOM 0 HG23 ILE A 36 55.784 47.343 18.844 1.00 0.00 H new ATOM 0 HD11 ILE A 36 54.005 50.781 20.709 1.00 0.00 H new ATOM 0 HD12 ILE A 36 52.641 49.793 20.134 1.00 0.00 H new ATOM 0 HD13 ILE A 36 54.053 49.011 20.883 1.00 0.00 H new ATOM 582 N PRO A 37 55.178 46.332 15.589 1.00 0.00 N ATOM 583 CA PRO A 37 54.945 45.117 14.834 1.00 0.00 C ATOM 584 C PRO A 37 54.115 44.090 15.606 1.00 0.00 C ATOM 585 O PRO A 37 54.503 43.723 16.712 1.00 0.00 O ATOM 586 CB PRO A 37 56.325 44.577 14.467 1.00 0.00 C ATOM 587 CG PRO A 37 57.235 45.143 15.552 1.00 0.00 C ATOM 588 CD PRO A 37 56.594 46.495 15.850 1.00 0.00 C ATOM 0 HA PRO A 37 54.353 45.329 13.944 1.00 0.00 H new ATOM 0 HB2 PRO A 37 56.340 43.487 14.460 1.00 0.00 H new ATOM 0 HB3 PRO A 37 56.633 44.906 13.474 1.00 0.00 H new ATOM 0 HG2 PRO A 37 57.261 44.503 16.434 1.00 0.00 H new ATOM 0 HG3 PRO A 37 58.263 45.249 15.205 1.00 0.00 H new ATOM 0 HD2 PRO A 37 56.769 46.790 16.885 1.00 0.00 H new ATOM 0 HD3 PRO A 37 57.020 47.276 15.220 1.00 0.00 H new ATOM 596 N PRO A 38 53.000 43.595 15.075 1.00 0.00 N ATOM 597 CA PRO A 38 52.081 42.718 15.772 1.00 0.00 C ATOM 598 C PRO A 38 52.671 41.468 16.428 1.00 0.00 C ATOM 599 O PRO A 38 52.218 41.092 17.507 1.00 0.00 O ATOM 600 CB PRO A 38 51.024 42.326 14.744 1.00 0.00 C ATOM 601 CG PRO A 38 50.922 43.597 13.905 1.00 0.00 C ATOM 602 CD PRO A 38 52.381 44.037 13.842 1.00 0.00 C ATOM 0 HA PRO A 38 51.695 43.271 16.629 1.00 0.00 H new ATOM 0 HB2 PRO A 38 51.331 41.466 14.149 1.00 0.00 H new ATOM 0 HB3 PRO A 38 50.074 42.067 15.212 1.00 0.00 H new ATOM 0 HG2 PRO A 38 50.509 43.403 12.915 1.00 0.00 H new ATOM 0 HG3 PRO A 38 50.287 44.348 14.374 1.00 0.00 H new ATOM 0 HD2 PRO A 38 52.881 43.598 12.978 1.00 0.00 H new ATOM 0 HD3 PRO A 38 52.455 45.119 13.738 1.00 0.00 H new ATOM 610 N ASP A 39 53.687 40.832 15.852 1.00 0.00 N ATOM 611 CA ASP A 39 54.290 39.637 16.406 1.00 0.00 C ATOM 612 C ASP A 39 55.071 39.898 17.696 1.00 0.00 C ATOM 613 O ASP A 39 55.291 38.971 18.473 1.00 0.00 O ATOM 614 CB ASP A 39 55.149 38.961 15.341 1.00 0.00 C ATOM 615 CG ASP A 39 55.729 37.615 15.780 1.00 0.00 C ATOM 616 OD1 ASP A 39 54.965 36.686 16.121 1.00 0.00 O ATOM 617 OD2 ASP A 39 56.971 37.472 15.778 1.00 0.00 O ATOM 0 H ASP A 39 54.115 41.140 14.979 1.00 0.00 H new ATOM 0 HA ASP A 39 53.486 38.961 16.697 1.00 0.00 H new ATOM 0 HB2 ASP A 39 54.549 38.812 14.444 1.00 0.00 H new ATOM 0 HB3 ASP A 39 55.967 39.628 15.070 1.00 0.00 H new ATOM 622 N GLN A 40 55.439 41.142 17.985 1.00 0.00 N ATOM 623 CA GLN A 40 56.034 41.551 19.241 1.00 0.00 C ATOM 624 C GLN A 40 55.001 41.972 20.288 1.00 0.00 C ATOM 625 O GLN A 40 55.358 42.089 21.458 1.00 0.00 O ATOM 626 CB GLN A 40 57.019 42.692 19.005 1.00 0.00 C ATOM 627 CG GLN A 40 58.201 42.336 18.109 1.00 0.00 C ATOM 628 CD GLN A 40 59.112 41.270 18.722 1.00 0.00 C ATOM 629 OE1 GLN A 40 59.092 40.103 18.338 1.00 0.00 O ATOM 630 NE2 GLN A 40 59.939 41.630 19.700 1.00 0.00 N ATOM 0 H GLN A 40 55.325 41.913 17.327 1.00 0.00 H new ATOM 0 HA GLN A 40 56.553 40.678 19.638 1.00 0.00 H new ATOM 0 HB2 GLN A 40 56.483 43.531 18.561 1.00 0.00 H new ATOM 0 HB3 GLN A 40 57.400 43.031 19.969 1.00 0.00 H new ATOM 0 HG2 GLN A 40 57.828 41.980 17.149 1.00 0.00 H new ATOM 0 HG3 GLN A 40 58.784 43.235 17.911 1.00 0.00 H new ATOM 0 HE21 GLN A 40 59.958 42.598 20.021 1.00 0.00 H new ATOM 0 HE22 GLN A 40 60.554 40.938 20.129 1.00 0.00 H new ATOM 639 N GLN A 41 53.751 42.204 19.897 1.00 0.00 N ATOM 640 CA GLN A 41 52.700 42.686 20.770 1.00 0.00 C ATOM 641 C GLN A 41 52.032 41.553 21.551 1.00 0.00 C ATOM 642 O GLN A 41 51.721 40.504 20.991 1.00 0.00 O ATOM 643 CB GLN A 41 51.612 43.414 19.984 1.00 0.00 C ATOM 644 CG GLN A 41 52.025 44.668 19.217 1.00 0.00 C ATOM 645 CD GLN A 41 50.809 45.300 18.539 1.00 0.00 C ATOM 646 OE1 GLN A 41 49.710 45.323 19.088 1.00 0.00 O ATOM 647 NE2 GLN A 41 50.908 45.818 17.318 1.00 0.00 N ATOM 0 H GLN A 41 53.439 42.056 18.937 1.00 0.00 H new ATOM 0 HA GLN A 41 53.186 43.370 21.466 1.00 0.00 H new ATOM 0 HB2 GLN A 41 51.181 42.710 19.273 1.00 0.00 H new ATOM 0 HB3 GLN A 41 50.820 43.689 20.680 1.00 0.00 H new ATOM 0 HG2 GLN A 41 52.483 45.385 19.898 1.00 0.00 H new ATOM 0 HG3 GLN A 41 52.776 44.414 18.469 1.00 0.00 H new ATOM 0 HE21 GLN A 41 51.806 45.815 16.834 1.00 0.00 H new ATOM 0 HE22 GLN A 41 50.086 46.218 16.866 1.00 0.00 H new ATOM 656 N ARG A 42 51.711 41.799 22.819 1.00 0.00 N ATOM 657 CA ARG A 42 50.930 40.923 23.667 1.00 0.00 C ATOM 658 C ARG A 42 49.883 41.742 24.426 1.00 0.00 C ATOM 659 O ARG A 42 50.239 42.709 25.095 1.00 0.00 O ATOM 660 CB ARG A 42 51.846 40.198 24.648 1.00 0.00 C ATOM 661 CG ARG A 42 52.957 39.367 24.012 1.00 0.00 C ATOM 662 CD ARG A 42 53.908 38.806 25.066 1.00 0.00 C ATOM 663 NE ARG A 42 53.195 37.957 26.021 1.00 0.00 N ATOM 664 CZ ARG A 42 53.312 38.002 27.355 1.00 0.00 C ATOM 665 NH1 ARG A 42 54.328 38.613 27.979 1.00 0.00 N ATOM 666 NH2 ARG A 42 52.344 37.445 28.097 1.00 0.00 N ATOM 0 H ARG A 42 52.004 42.651 23.297 1.00 0.00 H new ATOM 0 HA ARG A 42 50.422 40.182 23.050 1.00 0.00 H new ATOM 0 HB2 ARG A 42 52.300 40.936 25.309 1.00 0.00 H new ATOM 0 HB3 ARG A 42 51.237 39.544 25.272 1.00 0.00 H new ATOM 0 HG2 ARG A 42 52.519 38.547 23.442 1.00 0.00 H new ATOM 0 HG3 ARG A 42 53.516 39.983 23.307 1.00 0.00 H new ATOM 0 HD2 ARG A 42 54.695 38.230 24.580 1.00 0.00 H new ATOM 0 HD3 ARG A 42 54.393 39.626 25.595 1.00 0.00 H new ATOM 0 HE ARG A 42 52.550 37.268 25.636 1.00 0.00 H new ATOM 0 HH11 ARG A 42 55.058 39.072 27.435 1.00 0.00 H new ATOM 0 HH12 ARG A 42 54.371 38.619 28.998 1.00 0.00 H new ATOM 0 HH21 ARG A 42 51.545 37.002 27.644 1.00 0.00 H new ATOM 0 HH22 ARG A 42 52.407 37.464 29.115 1.00 0.00 H new ATOM 680 N LEU A 43 48.607 41.381 24.315 1.00 0.00 N ATOM 681 CA LEU A 43 47.508 42.121 24.901 1.00 0.00 C ATOM 682 C LEU A 43 46.920 41.404 26.119 1.00 0.00 C ATOM 683 O LEU A 43 46.571 40.228 26.053 1.00 0.00 O ATOM 684 CB LEU A 43 46.458 42.436 23.840 1.00 0.00 C ATOM 685 CG LEU A 43 46.927 43.366 22.725 1.00 0.00 C ATOM 686 CD1 LEU A 43 45.846 43.490 21.653 1.00 0.00 C ATOM 687 CD2 LEU A 43 47.234 44.773 23.229 1.00 0.00 C ATOM 0 H LEU A 43 48.309 40.550 23.805 1.00 0.00 H new ATOM 0 HA LEU A 43 47.893 43.070 25.275 1.00 0.00 H new ATOM 0 HB2 LEU A 43 46.121 41.500 23.394 1.00 0.00 H new ATOM 0 HB3 LEU A 43 45.593 42.886 24.328 1.00 0.00 H new ATOM 0 HG LEU A 43 47.839 42.925 22.322 1.00 0.00 H new ATOM 0 HD11 LEU A 43 46.192 44.156 20.863 1.00 0.00 H new ATOM 0 HD12 LEU A 43 45.636 42.507 21.233 1.00 0.00 H new ATOM 0 HD13 LEU A 43 44.937 43.896 22.098 1.00 0.00 H new ATOM 0 HD21 LEU A 43 47.563 45.394 22.396 1.00 0.00 H new ATOM 0 HD22 LEU A 43 46.336 45.205 23.671 1.00 0.00 H new ATOM 0 HD23 LEU A 43 48.022 44.726 23.981 1.00 0.00 H new ATOM 699 N ILE A 44 46.830 42.138 27.224 1.00 0.00 N ATOM 700 CA ILE A 44 46.458 41.671 28.545 1.00 0.00 C ATOM 701 C ILE A 44 45.220 42.424 29.034 1.00 0.00 C ATOM 702 O ILE A 44 45.119 43.638 28.872 1.00 0.00 O ATOM 703 CB ILE A 44 47.626 41.848 29.510 1.00 0.00 C ATOM 704 CG1 ILE A 44 48.978 41.339 29.021 1.00 0.00 C ATOM 705 CG2 ILE A 44 47.329 41.263 30.889 1.00 0.00 C ATOM 706 CD1 ILE A 44 49.082 39.846 28.717 1.00 0.00 C ATOM 0 H ILE A 44 47.029 43.138 27.214 1.00 0.00 H new ATOM 0 HA ILE A 44 46.215 40.609 28.498 1.00 0.00 H new ATOM 0 HB ILE A 44 47.722 42.932 29.575 1.00 0.00 H new ATOM 0 HG12 ILE A 44 49.242 41.889 28.118 1.00 0.00 H new ATOM 0 HG13 ILE A 44 49.727 41.585 29.774 1.00 0.00 H new ATOM 0 HG21 ILE A 44 48.190 41.413 31.541 1.00 0.00 H new ATOM 0 HG22 ILE A 44 46.459 41.762 31.316 1.00 0.00 H new ATOM 0 HG23 ILE A 44 47.126 40.196 30.796 1.00 0.00 H new ATOM 0 HD11 ILE A 44 50.092 39.613 28.379 1.00 0.00 H new ATOM 0 HD12 ILE A 44 48.860 39.275 29.619 1.00 0.00 H new ATOM 0 HD13 ILE A 44 48.368 39.583 27.936 1.00 0.00 H new ATOM 718 N PHE A 45 44.303 41.713 29.683 1.00 0.00 N ATOM 719 CA PHE A 45 43.134 42.253 30.350 1.00 0.00 C ATOM 720 C PHE A 45 42.909 41.546 31.688 1.00 0.00 C ATOM 721 O PHE A 45 42.817 40.321 31.726 1.00 0.00 O ATOM 722 CB PHE A 45 41.917 42.092 29.444 1.00 0.00 C ATOM 723 CG PHE A 45 40.644 42.745 29.928 1.00 0.00 C ATOM 724 CD1 PHE A 45 40.601 44.129 30.134 1.00 0.00 C ATOM 725 CD2 PHE A 45 39.485 41.986 30.131 1.00 0.00 C ATOM 726 CE1 PHE A 45 39.419 44.754 30.546 1.00 0.00 C ATOM 727 CE2 PHE A 45 38.296 42.606 30.536 1.00 0.00 C ATOM 728 CZ PHE A 45 38.262 43.990 30.743 1.00 0.00 C ATOM 0 H PHE A 45 44.362 40.698 29.759 1.00 0.00 H new ATOM 0 HA PHE A 45 43.290 43.313 30.552 1.00 0.00 H new ATOM 0 HB2 PHE A 45 42.162 42.500 28.463 1.00 0.00 H new ATOM 0 HB3 PHE A 45 41.728 41.027 29.308 1.00 0.00 H new ATOM 0 HD1 PHE A 45 41.490 44.721 29.973 1.00 0.00 H new ATOM 0 HD2 PHE A 45 39.508 40.918 29.975 1.00 0.00 H new ATOM 0 HE1 PHE A 45 39.399 45.821 30.711 1.00 0.00 H new ATOM 0 HE2 PHE A 45 37.405 42.016 30.689 1.00 0.00 H new ATOM 0 HZ PHE A 45 37.345 44.468 31.054 1.00 0.00 H new ATOM 738 N ALA A 46 42.832 42.305 32.777 1.00 0.00 N ATOM 739 CA ALA A 46 42.570 41.818 34.116 1.00 0.00 C ATOM 740 C ALA A 46 43.376 40.571 34.486 1.00 0.00 C ATOM 741 O ALA A 46 42.834 39.501 34.747 1.00 0.00 O ATOM 742 CB ALA A 46 41.059 41.697 34.299 1.00 0.00 C ATOM 0 H ALA A 46 42.956 43.317 32.743 1.00 0.00 H new ATOM 0 HA ALA A 46 42.936 42.541 34.845 1.00 0.00 H new ATOM 0 HB1 ALA A 46 40.842 41.331 35.303 1.00 0.00 H new ATOM 0 HB2 ALA A 46 40.596 42.674 34.161 1.00 0.00 H new ATOM 0 HB3 ALA A 46 40.658 40.999 33.564 1.00 0.00 H new ATOM 748 N GLY A 47 44.701 40.695 34.450 1.00 0.00 N ATOM 749 CA GLY A 47 45.666 39.677 34.814 1.00 0.00 C ATOM 750 C GLY A 47 45.884 38.519 33.836 1.00 0.00 C ATOM 751 O GLY A 47 46.751 37.692 34.103 1.00 0.00 O ATOM 0 H GLY A 47 45.149 41.560 34.148 1.00 0.00 H new ATOM 0 HA2 GLY A 47 46.627 40.167 34.972 1.00 0.00 H new ATOM 0 HA3 GLY A 47 45.362 39.254 35.772 1.00 0.00 H new ATOM 755 N LYS A 48 45.173 38.448 32.715 1.00 0.00 N ATOM 756 CA LYS A 48 45.242 37.355 31.766 1.00 0.00 C ATOM 757 C LYS A 48 45.437 37.833 30.327 1.00 0.00 C ATOM 758 O LYS A 48 44.986 38.915 29.958 1.00 0.00 O ATOM 759 CB LYS A 48 43.985 36.494 31.869 1.00 0.00 C ATOM 760 CG LYS A 48 43.711 35.901 33.249 1.00 0.00 C ATOM 761 CD LYS A 48 42.517 34.952 33.196 1.00 0.00 C ATOM 762 CE LYS A 48 42.196 34.377 34.573 1.00 0.00 C ATOM 763 NZ LYS A 48 40.997 33.526 34.524 1.00 0.00 N ATOM 0 H LYS A 48 44.514 39.175 32.438 1.00 0.00 H new ATOM 0 HA LYS A 48 46.119 36.761 32.024 1.00 0.00 H new ATOM 0 HB2 LYS A 48 43.126 37.097 31.574 1.00 0.00 H new ATOM 0 HB3 LYS A 48 44.064 35.678 31.150 1.00 0.00 H new ATOM 0 HG2 LYS A 48 44.592 35.366 33.603 1.00 0.00 H new ATOM 0 HG3 LYS A 48 43.516 36.701 33.963 1.00 0.00 H new ATOM 0 HD2 LYS A 48 41.646 35.483 32.810 1.00 0.00 H new ATOM 0 HD3 LYS A 48 42.728 34.139 32.501 1.00 0.00 H new ATOM 0 HE2 LYS A 48 43.044 33.796 34.935 1.00 0.00 H new ATOM 0 HE3 LYS A 48 42.041 35.189 35.283 1.00 0.00 H new ATOM 0 HZ1 LYS A 48 40.801 33.148 35.473 1.00 0.00 H new ATOM 0 HZ2 LYS A 48 40.185 34.089 34.201 1.00 0.00 H new ATOM 0 HZ3 LYS A 48 41.157 32.739 33.864 1.00 0.00 H new ATOM 777 N GLN A 49 46.093 37.022 29.501 1.00 0.00 N ATOM 778 CA GLN A 49 46.322 37.288 28.096 1.00 0.00 C ATOM 779 C GLN A 49 45.073 37.043 27.245 1.00 0.00 C ATOM 780 O GLN A 49 44.179 36.297 27.638 1.00 0.00 O ATOM 781 CB GLN A 49 47.525 36.462 27.647 1.00 0.00 C ATOM 782 CG GLN A 49 48.036 36.772 26.243 1.00 0.00 C ATOM 783 CD GLN A 49 49.409 36.140 26.006 1.00 0.00 C ATOM 784 OE1 GLN A 49 50.441 36.808 26.052 1.00 0.00 O ATOM 785 NE2 GLN A 49 49.483 34.834 25.769 1.00 0.00 N ATOM 0 H GLN A 49 46.490 36.134 29.808 1.00 0.00 H new ATOM 0 HA GLN A 49 46.544 38.345 27.952 1.00 0.00 H new ATOM 0 HB2 GLN A 49 48.338 36.619 28.356 1.00 0.00 H new ATOM 0 HB3 GLN A 49 47.259 35.406 27.695 1.00 0.00 H new ATOM 0 HG2 GLN A 49 47.327 36.398 25.504 1.00 0.00 H new ATOM 0 HG3 GLN A 49 48.100 37.851 26.106 1.00 0.00 H new ATOM 0 HE21 GLN A 49 48.632 34.274 25.729 1.00 0.00 H new ATOM 0 HE22 GLN A 49 50.391 34.392 25.627 1.00 0.00 H new ATOM 794 N LEU A 50 45.012 37.661 26.070 1.00 0.00 N ATOM 795 CA LEU A 50 43.912 37.558 25.132 1.00 0.00 C ATOM 796 C LEU A 50 44.281 36.747 23.888 1.00 0.00 C ATOM 797 O LEU A 50 45.361 36.928 23.330 1.00 0.00 O ATOM 798 CB LEU A 50 43.443 38.969 24.787 1.00 0.00 C ATOM 799 CG LEU A 50 43.028 39.840 25.969 1.00 0.00 C ATOM 800 CD1 LEU A 50 42.713 41.254 25.488 1.00 0.00 C ATOM 801 CD2 LEU A 50 41.785 39.286 26.659 1.00 0.00 C ATOM 0 H LEU A 50 45.759 38.270 25.737 1.00 0.00 H new ATOM 0 HA LEU A 50 43.093 37.008 25.595 1.00 0.00 H new ATOM 0 HB2 LEU A 50 44.244 39.476 24.250 1.00 0.00 H new ATOM 0 HB3 LEU A 50 42.599 38.893 24.102 1.00 0.00 H new ATOM 0 HG LEU A 50 43.858 39.848 26.676 1.00 0.00 H new ATOM 0 HD11 LEU A 50 42.417 41.870 26.337 1.00 0.00 H new ATOM 0 HD12 LEU A 50 43.598 41.684 25.018 1.00 0.00 H new ATOM 0 HD13 LEU A 50 41.899 41.219 24.764 1.00 0.00 H new ATOM 0 HD21 LEU A 50 41.516 39.930 27.496 1.00 0.00 H new ATOM 0 HD22 LEU A 50 40.959 39.251 25.948 1.00 0.00 H new ATOM 0 HD23 LEU A 50 41.990 38.280 27.026 1.00 0.00 H new ATOM 813 N GLU A 51 43.390 35.863 23.447 1.00 0.00 N ATOM 814 CA GLU A 51 43.549 34.986 22.305 1.00 0.00 C ATOM 815 C GLU A 51 43.332 35.717 20.979 1.00 0.00 C ATOM 816 O GLU A 51 42.269 36.287 20.747 1.00 0.00 O ATOM 817 CB GLU A 51 42.566 33.820 22.368 1.00 0.00 C ATOM 818 CG GLU A 51 42.849 32.784 23.452 1.00 0.00 C ATOM 819 CD GLU A 51 41.681 31.810 23.618 1.00 0.00 C ATOM 820 OE1 GLU A 51 40.902 31.937 24.587 1.00 0.00 O ATOM 821 OE2 GLU A 51 41.520 30.904 22.772 1.00 0.00 O ATOM 0 H GLU A 51 42.489 35.737 23.908 1.00 0.00 H new ATOM 0 HA GLU A 51 44.575 34.620 22.348 1.00 0.00 H new ATOM 0 HB2 GLU A 51 41.564 34.220 22.524 1.00 0.00 H new ATOM 0 HB3 GLU A 51 42.562 33.317 21.401 1.00 0.00 H new ATOM 0 HG2 GLU A 51 43.753 32.230 23.199 1.00 0.00 H new ATOM 0 HG3 GLU A 51 43.039 33.290 24.399 1.00 0.00 H new ATOM 828 N ASP A 52 44.294 35.626 20.065 1.00 0.00 N ATOM 829 CA ASP A 52 44.286 36.318 18.792 1.00 0.00 C ATOM 830 C ASP A 52 43.053 36.054 17.926 1.00 0.00 C ATOM 831 O ASP A 52 42.575 36.972 17.265 1.00 0.00 O ATOM 832 CB ASP A 52 45.568 35.985 18.034 1.00 0.00 C ATOM 833 CG ASP A 52 46.744 36.790 18.590 1.00 0.00 C ATOM 834 OD1 ASP A 52 47.149 37.781 17.946 1.00 0.00 O ATOM 835 OD2 ASP A 52 47.264 36.469 19.681 1.00 0.00 O ATOM 0 H ASP A 52 45.124 35.049 20.200 1.00 0.00 H new ATOM 0 HA ASP A 52 44.238 37.383 19.018 1.00 0.00 H new ATOM 0 HB2 ASP A 52 45.779 34.919 18.115 1.00 0.00 H new ATOM 0 HB3 ASP A 52 45.438 36.204 16.974 1.00 0.00 H new ATOM 840 N GLY A 53 42.497 34.846 17.962 1.00 0.00 N ATOM 841 CA GLY A 53 41.305 34.458 17.235 1.00 0.00 C ATOM 842 C GLY A 53 39.970 34.935 17.809 1.00 0.00 C ATOM 843 O GLY A 53 38.955 34.768 17.137 1.00 0.00 O ATOM 0 H GLY A 53 42.884 34.086 18.522 1.00 0.00 H new ATOM 0 HA2 GLY A 53 41.391 34.832 16.215 1.00 0.00 H new ATOM 0 HA3 GLY A 53 41.281 33.370 17.175 1.00 0.00 H new ATOM 847 N ARG A 54 39.934 35.484 19.020 1.00 0.00 N ATOM 848 CA ARG A 54 38.725 35.830 19.741 1.00 0.00 C ATOM 849 C ARG A 54 38.377 37.317 19.651 1.00 0.00 C ATOM 850 O ARG A 54 39.200 38.129 19.233 1.00 0.00 O ATOM 851 CB ARG A 54 38.801 35.305 21.172 1.00 0.00 C ATOM 852 CG ARG A 54 38.818 33.779 21.216 1.00 0.00 C ATOM 853 CD ARG A 54 38.803 33.209 22.631 1.00 0.00 C ATOM 854 NE ARG A 54 37.478 33.246 23.249 1.00 0.00 N ATOM 855 CZ ARG A 54 37.185 32.822 24.485 1.00 0.00 C ATOM 856 NH1 ARG A 54 38.111 32.322 25.315 1.00 0.00 N ATOM 857 NH2 ARG A 54 35.911 32.901 24.891 1.00 0.00 N ATOM 0 H ARG A 54 40.782 35.706 19.541 1.00 0.00 H new ATOM 0 HA ARG A 54 37.886 35.333 19.254 1.00 0.00 H new ATOM 0 HB2 ARG A 54 39.698 35.693 21.654 1.00 0.00 H new ATOM 0 HB3 ARG A 54 37.948 35.676 21.741 1.00 0.00 H new ATOM 0 HG2 ARG A 54 37.954 33.398 20.671 1.00 0.00 H new ATOM 0 HG3 ARG A 54 39.706 33.419 20.697 1.00 0.00 H new ATOM 0 HD2 ARG A 54 39.157 32.178 22.605 1.00 0.00 H new ATOM 0 HD3 ARG A 54 39.502 33.771 23.250 1.00 0.00 H new ATOM 0 HE ARG A 54 36.713 33.627 22.692 1.00 0.00 H new ATOM 0 HH11 ARG A 54 39.083 32.253 25.013 1.00 0.00 H new ATOM 0 HH12 ARG A 54 37.844 32.010 26.249 1.00 0.00 H new ATOM 0 HH21 ARG A 54 35.198 33.275 24.265 1.00 0.00 H new ATOM 0 HH22 ARG A 54 35.653 32.587 25.827 1.00 0.00 H new ATOM 871 N THR A 55 37.145 37.661 20.017 1.00 0.00 N ATOM 872 CA THR A 55 36.590 38.997 19.951 1.00 0.00 C ATOM 873 C THR A 55 36.684 39.753 21.278 1.00 0.00 C ATOM 874 O THR A 55 36.834 39.142 22.334 1.00 0.00 O ATOM 875 CB THR A 55 35.136 38.996 19.486 1.00 0.00 C ATOM 876 OG1 THR A 55 34.297 38.337 20.408 1.00 0.00 O ATOM 877 CG2 THR A 55 34.937 38.349 18.118 1.00 0.00 C ATOM 0 H THR A 55 36.481 36.979 20.384 1.00 0.00 H new ATOM 0 HA THR A 55 37.204 39.516 19.215 1.00 0.00 H new ATOM 0 HB THR A 55 34.867 40.050 19.412 1.00 0.00 H new ATOM 0 HG1 THR A 55 34.545 37.390 20.458 1.00 0.00 H new ATOM 0 HG21 THR A 55 33.881 38.383 17.850 1.00 0.00 H new ATOM 0 HG22 THR A 55 35.518 38.890 17.372 1.00 0.00 H new ATOM 0 HG23 THR A 55 35.269 37.311 18.154 1.00 0.00 H new ATOM 885 N LEU A 56 36.508 41.072 21.270 1.00 0.00 N ATOM 886 CA LEU A 56 36.325 41.832 22.489 1.00 0.00 C ATOM 887 C LEU A 56 35.128 41.340 23.306 1.00 0.00 C ATOM 888 O LEU A 56 35.217 41.224 24.527 1.00 0.00 O ATOM 889 CB LEU A 56 36.197 43.317 22.166 1.00 0.00 C ATOM 890 CG LEU A 56 37.403 43.954 21.483 1.00 0.00 C ATOM 891 CD1 LEU A 56 37.171 45.456 21.343 1.00 0.00 C ATOM 892 CD2 LEU A 56 38.709 43.753 22.247 1.00 0.00 C ATOM 0 H LEU A 56 36.489 41.635 20.420 1.00 0.00 H new ATOM 0 HA LEU A 56 37.208 41.680 23.110 1.00 0.00 H new ATOM 0 HB2 LEU A 56 35.325 43.457 21.527 1.00 0.00 H new ATOM 0 HB3 LEU A 56 36.002 43.856 23.093 1.00 0.00 H new ATOM 0 HG LEU A 56 37.501 43.463 20.515 1.00 0.00 H new ATOM 0 HD11 LEU A 56 38.032 45.913 20.855 1.00 0.00 H new ATOM 0 HD12 LEU A 56 36.278 45.632 20.743 1.00 0.00 H new ATOM 0 HD13 LEU A 56 37.037 45.897 22.331 1.00 0.00 H new ATOM 0 HD21 LEU A 56 39.525 44.231 21.705 1.00 0.00 H new ATOM 0 HD22 LEU A 56 38.623 44.197 23.239 1.00 0.00 H new ATOM 0 HD23 LEU A 56 38.914 42.687 22.344 1.00 0.00 H new ATOM 904 N SER A 57 34.042 40.967 22.636 1.00 0.00 N ATOM 905 CA SER A 57 32.857 40.400 23.247 1.00 0.00 C ATOM 906 C SER A 57 33.065 39.048 23.933 1.00 0.00 C ATOM 907 O SER A 57 32.285 38.721 24.824 1.00 0.00 O ATOM 908 CB SER A 57 31.735 40.273 22.222 1.00 0.00 C ATOM 909 OG SER A 57 31.329 41.543 21.763 1.00 0.00 O ATOM 0 H SER A 57 33.966 41.056 21.623 1.00 0.00 H new ATOM 0 HA SER A 57 32.590 41.103 24.036 1.00 0.00 H new ATOM 0 HB2 SER A 57 32.072 39.668 21.380 1.00 0.00 H new ATOM 0 HB3 SER A 57 30.886 39.754 22.668 1.00 0.00 H new ATOM 0 HG SER A 57 32.072 41.973 21.290 1.00 0.00 H new ATOM 915 N ASP A 58 34.098 38.279 23.600 1.00 0.00 N ATOM 916 CA ASP A 58 34.437 37.054 24.297 1.00 0.00 C ATOM 917 C ASP A 58 34.846 37.280 25.753 1.00 0.00 C ATOM 918 O ASP A 58 34.702 36.376 26.572 1.00 0.00 O ATOM 919 CB ASP A 58 35.583 36.329 23.595 1.00 0.00 C ATOM 920 CG ASP A 58 35.159 35.500 22.381 1.00 0.00 C ATOM 921 OD1 ASP A 58 34.838 34.309 22.585 1.00 0.00 O ATOM 922 OD2 ASP A 58 35.214 35.990 21.232 1.00 0.00 O ATOM 0 H ASP A 58 34.728 38.497 22.828 1.00 0.00 H new ATOM 0 HA ASP A 58 33.528 36.453 24.284 1.00 0.00 H new ATOM 0 HB2 ASP A 58 36.321 37.065 23.277 1.00 0.00 H new ATOM 0 HB3 ASP A 58 36.076 35.673 24.313 1.00 0.00 H new ATOM 927 N TYR A 59 35.363 38.463 26.075 1.00 0.00 N ATOM 928 CA TYR A 59 36.045 38.781 27.313 1.00 0.00 C ATOM 929 C TYR A 59 35.365 39.862 28.155 1.00 0.00 C ATOM 930 O TYR A 59 35.959 40.328 29.124 1.00 0.00 O ATOM 931 CB TYR A 59 37.491 39.145 26.991 1.00 0.00 C ATOM 932 CG TYR A 59 38.336 38.018 26.446 1.00 0.00 C ATOM 933 CD1 TYR A 59 38.827 37.043 27.323 1.00 0.00 C ATOM 934 CD2 TYR A 59 38.680 37.982 25.090 1.00 0.00 C ATOM 935 CE1 TYR A 59 39.687 36.043 26.855 1.00 0.00 C ATOM 936 CE2 TYR A 59 39.555 36.998 24.614 1.00 0.00 C ATOM 937 CZ TYR A 59 40.072 36.031 25.500 1.00 0.00 C ATOM 938 OH TYR A 59 40.975 35.113 25.051 1.00 0.00 O ATOM 0 H TYR A 59 35.312 39.262 25.443 1.00 0.00 H new ATOM 0 HA TYR A 59 36.005 37.893 27.943 1.00 0.00 H new ATOM 0 HB2 TYR A 59 37.490 39.959 26.266 1.00 0.00 H new ATOM 0 HB3 TYR A 59 37.963 39.525 27.897 1.00 0.00 H new ATOM 0 HD1 TYR A 59 38.541 37.063 28.364 1.00 0.00 H new ATOM 0 HD2 TYR A 59 38.270 38.714 24.410 1.00 0.00 H new ATOM 0 HE1 TYR A 59 40.054 35.284 27.530 1.00 0.00 H new ATOM 0 HE2 TYR A 59 39.833 36.980 23.571 1.00 0.00 H new ATOM 0 HH TYR A 59 40.576 34.218 25.085 1.00 0.00 H new ATOM 948 N ASN A 60 34.136 40.259 27.835 1.00 0.00 N ATOM 949 CA ASN A 60 33.429 41.351 28.471 1.00 0.00 C ATOM 950 C ASN A 60 34.182 42.682 28.423 1.00 0.00 C ATOM 951 O ASN A 60 34.156 43.460 29.374 1.00 0.00 O ATOM 952 CB ASN A 60 32.948 40.958 29.866 1.00 0.00 C ATOM 953 CG ASN A 60 31.992 39.766 29.928 1.00 0.00 C ATOM 954 OD1 ASN A 60 31.510 39.231 28.932 1.00 0.00 O ATOM 955 ND2 ASN A 60 31.664 39.313 31.135 1.00 0.00 N ATOM 0 H ASN A 60 33.592 39.809 27.099 1.00 0.00 H new ATOM 0 HA ASN A 60 32.536 41.541 27.876 1.00 0.00 H new ATOM 0 HB2 ASN A 60 33.820 40.733 30.481 1.00 0.00 H new ATOM 0 HB3 ASN A 60 32.454 41.819 30.316 1.00 0.00 H new ATOM 0 HD21 ASN A 60 31.018 38.529 31.227 1.00 0.00 H new ATOM 0 HD22 ASN A 60 32.058 39.750 31.968 1.00 0.00 H new ATOM 962 N ILE A 61 34.874 42.962 27.323 1.00 0.00 N ATOM 963 CA ILE A 61 35.514 44.239 27.080 1.00 0.00 C ATOM 964 C ILE A 61 34.478 45.202 26.497 1.00 0.00 C ATOM 965 O ILE A 61 33.727 44.845 25.591 1.00 0.00 O ATOM 966 CB ILE A 61 36.753 44.065 26.205 1.00 0.00 C ATOM 967 CG1 ILE A 61 37.809 43.226 26.918 1.00 0.00 C ATOM 968 CG2 ILE A 61 37.332 45.417 25.799 1.00 0.00 C ATOM 969 CD1 ILE A 61 38.903 42.672 26.010 1.00 0.00 C ATOM 0 H ILE A 61 35.005 42.292 26.565 1.00 0.00 H new ATOM 0 HA ILE A 61 35.878 44.672 28.012 1.00 0.00 H new ATOM 0 HB ILE A 61 36.449 43.539 25.300 1.00 0.00 H new ATOM 0 HG12 ILE A 61 38.273 43.834 27.694 1.00 0.00 H new ATOM 0 HG13 ILE A 61 37.315 42.393 27.418 1.00 0.00 H new ATOM 0 HG21 ILE A 61 38.213 45.263 25.176 1.00 0.00 H new ATOM 0 HG22 ILE A 61 36.585 45.979 25.238 1.00 0.00 H new ATOM 0 HG23 ILE A 61 37.612 45.976 26.692 1.00 0.00 H new ATOM 0 HD11 ILE A 61 39.608 42.090 26.603 1.00 0.00 H new ATOM 0 HD12 ILE A 61 38.455 42.034 25.249 1.00 0.00 H new ATOM 0 HD13 ILE A 61 39.429 43.497 25.529 1.00 0.00 H new ATOM 981 N GLN A 62 34.406 46.410 27.047 1.00 0.00 N ATOM 982 CA GLN A 62 33.328 47.364 26.878 1.00 0.00 C ATOM 983 C GLN A 62 33.874 48.764 26.588 1.00 0.00 C ATOM 984 O GLN A 62 35.076 49.006 26.672 1.00 0.00 O ATOM 985 CB GLN A 62 32.478 47.346 28.144 1.00 0.00 C ATOM 986 CG GLN A 62 31.718 46.038 28.339 1.00 0.00 C ATOM 987 CD GLN A 62 30.978 45.999 29.678 1.00 0.00 C ATOM 988 OE1 GLN A 62 31.498 45.570 30.705 1.00 0.00 O ATOM 989 NE2 GLN A 62 29.738 46.476 29.737 1.00 0.00 N ATOM 0 H GLN A 62 35.143 46.764 27.656 1.00 0.00 H new ATOM 0 HA GLN A 62 32.714 47.087 26.021 1.00 0.00 H new ATOM 0 HB2 GLN A 62 33.120 47.518 29.008 1.00 0.00 H new ATOM 0 HB3 GLN A 62 31.766 48.170 28.108 1.00 0.00 H new ATOM 0 HG2 GLN A 62 31.003 45.909 27.526 1.00 0.00 H new ATOM 0 HG3 GLN A 62 32.415 45.202 28.286 1.00 0.00 H new ATOM 0 HE21 GLN A 62 29.290 46.837 28.895 1.00 0.00 H new ATOM 0 HE22 GLN A 62 29.235 46.481 30.625 1.00 0.00 H new ATOM 998 N LYS A 63 33.005 49.721 26.275 1.00 0.00 N ATOM 999 CA LYS A 63 33.386 51.109 26.107 1.00 0.00 C ATOM 1000 C LYS A 63 34.055 51.631 27.380 1.00 0.00 C ATOM 1001 O LYS A 63 33.482 51.540 28.463 1.00 0.00 O ATOM 1002 CB LYS A 63 32.169 51.941 25.713 1.00 0.00 C ATOM 1003 CG LYS A 63 32.504 53.407 25.450 1.00 0.00 C ATOM 1004 CD LYS A 63 31.284 54.191 24.976 1.00 0.00 C ATOM 1005 CE LYS A 63 31.596 55.668 24.750 1.00 0.00 C ATOM 1006 NZ LYS A 63 31.488 56.480 25.972 1.00 0.00 N ATOM 0 H LYS A 63 32.010 49.548 26.131 1.00 0.00 H new ATOM 0 HA LYS A 63 34.115 51.192 25.301 1.00 0.00 H new ATOM 0 HB2 LYS A 63 31.717 51.512 24.819 1.00 0.00 H new ATOM 0 HB3 LYS A 63 31.424 51.882 26.506 1.00 0.00 H new ATOM 0 HG2 LYS A 63 32.895 53.860 26.361 1.00 0.00 H new ATOM 0 HG3 LYS A 63 33.291 53.471 24.699 1.00 0.00 H new ATOM 0 HD2 LYS A 63 30.912 53.755 24.049 1.00 0.00 H new ATOM 0 HD3 LYS A 63 30.487 54.099 25.714 1.00 0.00 H new ATOM 0 HE2 LYS A 63 32.605 55.762 24.348 1.00 0.00 H new ATOM 0 HE3 LYS A 63 30.915 56.065 23.997 1.00 0.00 H new ATOM 0 HZ1 LYS A 63 31.662 57.479 25.741 1.00 0.00 H new ATOM 0 HZ2 LYS A 63 30.534 56.378 26.373 1.00 0.00 H new ATOM 0 HZ3 LYS A 63 32.192 56.157 26.666 1.00 0.00 H new ATOM 1020 N GLU A 64 35.245 52.206 27.236 1.00 0.00 N ATOM 1021 CA GLU A 64 36.078 52.720 28.305 1.00 0.00 C ATOM 1022 C GLU A 64 36.606 51.665 29.279 1.00 0.00 C ATOM 1023 O GLU A 64 37.026 51.992 30.387 1.00 0.00 O ATOM 1024 CB GLU A 64 35.430 53.936 28.963 1.00 0.00 C ATOM 1025 CG GLU A 64 35.224 55.094 27.991 1.00 0.00 C ATOM 1026 CD GLU A 64 34.120 56.035 28.476 1.00 0.00 C ATOM 1027 OE1 GLU A 64 34.426 57.075 29.098 1.00 0.00 O ATOM 1028 OE2 GLU A 64 32.930 55.765 28.204 1.00 0.00 O ATOM 0 H GLU A 64 35.672 52.330 26.318 1.00 0.00 H new ATOM 0 HA GLU A 64 37.000 53.069 27.840 1.00 0.00 H new ATOM 0 HB2 GLU A 64 34.468 53.646 29.384 1.00 0.00 H new ATOM 0 HB3 GLU A 64 36.053 54.270 29.792 1.00 0.00 H new ATOM 0 HG2 GLU A 64 36.156 55.649 27.880 1.00 0.00 H new ATOM 0 HG3 GLU A 64 34.966 54.704 27.006 1.00 0.00 H new ATOM 1035 N SER A 65 36.667 50.401 28.872 1.00 0.00 N ATOM 1036 CA SER A 65 37.534 49.414 29.482 1.00 0.00 C ATOM 1037 C SER A 65 39.014 49.726 29.247 1.00 0.00 C ATOM 1038 O SER A 65 39.361 50.364 28.256 1.00 0.00 O ATOM 1039 CB SER A 65 37.254 48.011 28.949 1.00 0.00 C ATOM 1040 OG SER A 65 35.956 47.565 29.272 1.00 0.00 O ATOM 0 H SER A 65 36.108 50.035 28.101 1.00 0.00 H new ATOM 0 HA SER A 65 37.320 49.453 30.550 1.00 0.00 H new ATOM 0 HB2 SER A 65 37.379 48.004 27.866 1.00 0.00 H new ATOM 0 HB3 SER A 65 37.987 47.316 29.359 1.00 0.00 H new ATOM 0 HG SER A 65 35.295 48.193 28.912 1.00 0.00 H new ATOM 1046 N THR A 66 39.888 49.241 30.123 1.00 0.00 N ATOM 1047 CA THR A 66 41.324 49.420 30.033 1.00 0.00 C ATOM 1048 C THR A 66 42.060 48.085 29.903 1.00 0.00 C ATOM 1049 O THR A 66 41.849 47.172 30.699 1.00 0.00 O ATOM 1050 CB THR A 66 41.876 50.209 31.218 1.00 0.00 C ATOM 1051 OG1 THR A 66 41.280 51.485 31.281 1.00 0.00 O ATOM 1052 CG2 THR A 66 43.376 50.466 31.104 1.00 0.00 C ATOM 0 H THR A 66 39.603 48.697 30.938 1.00 0.00 H new ATOM 0 HA THR A 66 41.502 49.997 29.126 1.00 0.00 H new ATOM 0 HB THR A 66 41.659 49.602 32.097 1.00 0.00 H new ATOM 0 HG1 THR A 66 41.643 51.978 32.046 1.00 0.00 H new ATOM 0 HG21 THR A 66 43.715 51.030 31.973 1.00 0.00 H new ATOM 0 HG22 THR A 66 43.906 49.514 31.060 1.00 0.00 H new ATOM 0 HG23 THR A 66 43.579 51.037 30.198 1.00 0.00 H new ATOM 1060 N LEU A 67 42.944 47.989 28.915 1.00 0.00 N ATOM 1061 CA LEU A 67 43.836 46.881 28.639 1.00 0.00 C ATOM 1062 C LEU A 67 45.294 47.305 28.825 1.00 0.00 C ATOM 1063 O LEU A 67 45.601 48.493 28.888 1.00 0.00 O ATOM 1064 CB LEU A 67 43.603 46.390 27.213 1.00 0.00 C ATOM 1065 CG LEU A 67 42.399 45.479 26.990 1.00 0.00 C ATOM 1066 CD1 LEU A 67 41.047 46.174 27.112 1.00 0.00 C ATOM 1067 CD2 LEU A 67 42.480 44.896 25.582 1.00 0.00 C ATOM 0 H LEU A 67 43.060 48.744 28.239 1.00 0.00 H new ATOM 0 HA LEU A 67 43.628 46.071 29.339 1.00 0.00 H new ATOM 0 HB2 LEU A 67 43.495 47.261 26.567 1.00 0.00 H new ATOM 0 HB3 LEU A 67 44.497 45.859 26.886 1.00 0.00 H new ATOM 0 HG LEU A 67 42.449 44.724 27.774 1.00 0.00 H new ATOM 0 HD11 LEU A 67 40.250 45.452 26.938 1.00 0.00 H new ATOM 0 HD12 LEU A 67 40.943 46.596 28.112 1.00 0.00 H new ATOM 0 HD13 LEU A 67 40.980 46.972 26.373 1.00 0.00 H new ATOM 0 HD21 LEU A 67 41.625 44.242 25.409 1.00 0.00 H new ATOM 0 HD22 LEU A 67 42.472 45.705 24.852 1.00 0.00 H new ATOM 0 HD23 LEU A 67 43.401 44.323 25.478 1.00 0.00 H new ATOM 1079 N HIS A 68 46.216 46.346 28.858 1.00 0.00 N ATOM 1080 CA HIS A 68 47.644 46.585 28.894 1.00 0.00 C ATOM 1081 C HIS A 68 48.352 45.946 27.697 1.00 0.00 C ATOM 1082 O HIS A 68 48.015 44.834 27.297 1.00 0.00 O ATOM 1083 CB HIS A 68 48.247 46.121 30.217 1.00 0.00 C ATOM 1084 CG HIS A 68 47.687 46.791 31.442 1.00 0.00 C ATOM 1085 ND1 HIS A 68 48.367 47.680 32.272 1.00 0.00 N ATOM 1086 CD2 HIS A 68 46.433 46.583 31.957 1.00 0.00 C ATOM 1087 CE1 HIS A 68 47.500 48.044 33.220 1.00 0.00 C ATOM 1088 NE2 HIS A 68 46.333 47.398 33.066 1.00 0.00 N ATOM 0 H HIS A 68 45.976 45.355 28.860 1.00 0.00 H new ATOM 0 HA HIS A 68 47.800 47.661 28.821 1.00 0.00 H new ATOM 0 HB2 HIS A 68 48.097 45.045 30.309 1.00 0.00 H new ATOM 0 HB3 HIS A 68 49.323 46.292 30.188 1.00 0.00 H new ATOM 0 HD2 HIS A 68 45.676 45.916 31.572 1.00 0.00 H new ATOM 0 HE1 HIS A 68 47.708 48.759 34.002 1.00 0.00 H new ATOM 0 HE2 HIS A 68 45.513 47.493 33.666 1.00 0.00 H new ATOM 1096 N LEU A 69 49.343 46.635 27.141 1.00 0.00 N ATOM 1097 CA LEU A 69 50.183 46.181 26.051 1.00 0.00 C ATOM 1098 C LEU A 69 51.592 45.876 26.563 1.00 0.00 C ATOM 1099 O LEU A 69 52.326 46.770 26.979 1.00 0.00 O ATOM 1100 CB LEU A 69 50.179 47.225 24.938 1.00 0.00 C ATOM 1101 CG LEU A 69 51.187 47.008 23.815 1.00 0.00 C ATOM 1102 CD1 LEU A 69 51.005 45.685 23.075 1.00 0.00 C ATOM 1103 CD2 LEU A 69 51.056 48.133 22.792 1.00 0.00 C ATOM 0 H LEU A 69 49.590 47.572 27.458 1.00 0.00 H new ATOM 0 HA LEU A 69 49.789 45.253 25.635 1.00 0.00 H new ATOM 0 HB2 LEU A 69 49.181 47.258 24.502 1.00 0.00 H new ATOM 0 HB3 LEU A 69 50.365 48.202 25.383 1.00 0.00 H new ATOM 0 HG LEU A 69 52.168 46.993 24.289 1.00 0.00 H new ATOM 0 HD11 LEU A 69 51.757 45.600 22.291 1.00 0.00 H new ATOM 0 HD12 LEU A 69 51.117 44.858 23.776 1.00 0.00 H new ATOM 0 HD13 LEU A 69 50.011 45.651 22.630 1.00 0.00 H new ATOM 0 HD21 LEU A 69 51.776 47.980 21.988 1.00 0.00 H new ATOM 0 HD22 LEU A 69 50.047 48.134 22.380 1.00 0.00 H new ATOM 0 HD23 LEU A 69 51.251 49.090 23.276 1.00 0.00 H new ATOM 1115 N VAL A 70 51.968 44.603 26.481 1.00 0.00 N ATOM 1116 CA VAL A 70 53.270 44.070 26.825 1.00 0.00 C ATOM 1117 C VAL A 70 54.024 43.736 25.536 1.00 0.00 C ATOM 1118 O VAL A 70 53.432 43.219 24.590 1.00 0.00 O ATOM 1119 CB VAL A 70 53.110 42.854 27.734 1.00 0.00 C ATOM 1120 CG1 VAL A 70 54.450 42.266 28.165 1.00 0.00 C ATOM 1121 CG2 VAL A 70 52.321 43.188 28.996 1.00 0.00 C ATOM 0 H VAL A 70 51.330 43.878 26.153 1.00 0.00 H new ATOM 0 HA VAL A 70 53.853 44.807 27.377 1.00 0.00 H new ATOM 0 HB VAL A 70 52.568 42.121 27.136 1.00 0.00 H new ATOM 0 HG11 VAL A 70 54.279 41.404 28.810 1.00 0.00 H new ATOM 0 HG12 VAL A 70 55.011 41.954 27.284 1.00 0.00 H new ATOM 0 HG13 VAL A 70 55.019 43.019 28.710 1.00 0.00 H new ATOM 0 HG21 VAL A 70 52.230 42.296 29.615 1.00 0.00 H new ATOM 0 HG22 VAL A 70 52.841 43.966 29.555 1.00 0.00 H new ATOM 0 HG23 VAL A 70 51.327 43.542 28.721 1.00 0.00 H new