USER MOD reduce.3.24.130724 H: found=0, std=0, add=444, rem=0, adj=9 USER MOD reduce.3.24.130724 removed 445 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 Single : A 15 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 16 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 34 THR OG1 : rot 62:sc= 0.0273 USER MOD Single : A 36 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 39 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 47 LYS NZ :NH3+ 151:sc= -1.3 (180deg=-2.01) USER MOD Single : A 48 MET CE :methyl -150:sc= -1.58 (180deg=-1.68) USER MOD Single : A 52 ASN : amide:sc= -0.648 K(o=-0.65,f=-3.4!) USER MOD Single : A 55 SER OG : rot 180:sc= 0 USER MOD Single : A 60 MET CE :methyl -143:sc= -0.241 (180deg=-1.74!) USER MOD Single : A 62 MET CE :methyl -157:sc= -1.98 (180deg=-2.42!) USER MOD Single : A 66 THR OG1 : rot 97:sc= 0.5 USER MOD Single : A 69 SER OG : rot 180:sc= 0 USER MOD Single : A 70 MET CE :methyl -169:sc= -1.43 (180deg=-1.6) USER MOD ----------------------------------------------------------------- ATOM 123 N PRO A 8 -8.192 7.529 -1.481 1.00 0.00 N ATOM 124 CA PRO A 8 -8.517 6.336 -0.679 1.00 0.00 C ATOM 125 C PRO A 8 -7.343 5.972 0.239 1.00 0.00 C ATOM 126 O PRO A 8 -6.265 6.515 0.107 1.00 0.00 O ATOM 127 CB PRO A 8 -8.748 5.249 -1.730 1.00 0.00 C ATOM 128 CG PRO A 8 -8.002 5.709 -3.006 1.00 0.00 C ATOM 129 CD PRO A 8 -7.805 7.231 -2.877 1.00 0.00 C ATOM 0 HA PRO A 8 -9.378 6.479 -0.026 1.00 0.00 H new ATOM 0 HB2 PRO A 8 -8.369 4.287 -1.384 1.00 0.00 H new ATOM 0 HB3 PRO A 8 -9.812 5.120 -1.928 1.00 0.00 H new ATOM 0 HG2 PRO A 8 -7.042 5.201 -3.098 1.00 0.00 H new ATOM 0 HG3 PRO A 8 -8.578 5.467 -3.900 1.00 0.00 H new ATOM 0 HD2 PRO A 8 -6.772 7.517 -3.074 1.00 0.00 H new ATOM 0 HD3 PRO A 8 -8.427 7.775 -3.588 1.00 0.00 H new ATOM 137 N PRO A 9 -7.594 5.059 1.142 1.00 0.00 N ATOM 138 CA PRO A 9 -6.579 4.592 2.103 1.00 0.00 C ATOM 139 C PRO A 9 -5.601 3.627 1.424 1.00 0.00 C ATOM 140 O PRO A 9 -5.909 3.020 0.418 1.00 0.00 O ATOM 141 CB PRO A 9 -7.401 3.870 3.174 1.00 0.00 C ATOM 142 CG PRO A 9 -8.738 3.474 2.503 1.00 0.00 C ATOM 143 CD PRO A 9 -8.913 4.406 1.289 1.00 0.00 C ATOM 0 HA PRO A 9 -5.973 5.401 2.511 1.00 0.00 H new ATOM 0 HB2 PRO A 9 -6.874 2.989 3.540 1.00 0.00 H new ATOM 0 HB3 PRO A 9 -7.574 4.518 4.033 1.00 0.00 H new ATOM 0 HG2 PRO A 9 -8.721 2.430 2.191 1.00 0.00 H new ATOM 0 HG3 PRO A 9 -9.569 3.585 3.200 1.00 0.00 H new ATOM 0 HD2 PRO A 9 -9.183 3.847 0.393 1.00 0.00 H new ATOM 0 HD3 PRO A 9 -9.703 5.137 1.459 1.00 0.00 H new ATOM 151 N ALA A 10 -4.426 3.481 1.971 1.00 0.00 N ATOM 152 CA ALA A 10 -3.430 2.557 1.360 1.00 0.00 C ATOM 153 C ALA A 10 -3.749 1.118 1.772 1.00 0.00 C ATOM 154 O ALA A 10 -3.185 0.174 1.258 1.00 0.00 O ATOM 155 CB ALA A 10 -2.027 2.927 1.845 1.00 0.00 C ATOM 0 H ALA A 10 -4.113 3.961 2.814 1.00 0.00 H new ATOM 0 HA ALA A 10 -3.474 2.642 0.274 1.00 0.00 H new ATOM 0 HB1 ALA A 10 -1.298 2.251 1.398 1.00 0.00 H new ATOM 0 HB2 ALA A 10 -1.799 3.952 1.552 1.00 0.00 H new ATOM 0 HB3 ALA A 10 -1.983 2.842 2.931 1.00 0.00 H new ATOM 161 N ALA A 11 -4.652 0.944 2.699 1.00 0.00 N ATOM 162 CA ALA A 11 -5.010 -0.433 3.145 1.00 0.00 C ATOM 163 C ALA A 11 -6.144 -0.975 2.272 1.00 0.00 C ATOM 164 O ALA A 11 -6.960 -1.759 2.715 1.00 0.00 O ATOM 165 CB ALA A 11 -5.466 -0.392 4.604 1.00 0.00 C ATOM 0 H ALA A 11 -5.157 1.696 3.167 1.00 0.00 H new ATOM 0 HA ALA A 11 -4.139 -1.082 3.053 1.00 0.00 H new ATOM 0 HB1 ALA A 11 -5.728 -1.398 4.932 1.00 0.00 H new ATOM 0 HB2 ALA A 11 -4.659 -0.006 5.227 1.00 0.00 H new ATOM 0 HB3 ALA A 11 -6.337 0.258 4.695 1.00 0.00 H new ATOM 171 N VAL A 12 -6.206 -0.559 1.037 1.00 0.00 N ATOM 172 CA VAL A 12 -7.288 -1.045 0.139 1.00 0.00 C ATOM 173 C VAL A 12 -6.755 -1.133 -1.294 1.00 0.00 C ATOM 174 O VAL A 12 -7.049 -2.062 -2.020 1.00 0.00 O ATOM 175 CB VAL A 12 -8.461 -0.063 0.196 1.00 0.00 C ATOM 176 CG1 VAL A 12 -7.926 1.367 0.146 1.00 0.00 C ATOM 177 CG2 VAL A 12 -9.392 -0.296 -0.994 1.00 0.00 C ATOM 0 H VAL A 12 -5.552 0.098 0.611 1.00 0.00 H new ATOM 0 HA VAL A 12 -7.623 -2.032 0.459 1.00 0.00 H new ATOM 0 HB VAL A 12 -9.015 -0.218 1.122 1.00 0.00 H new ATOM 0 HG11 VAL A 12 -8.759 2.069 0.186 1.00 0.00 H new ATOM 0 HG12 VAL A 12 -7.266 1.538 0.996 1.00 0.00 H new ATOM 0 HG13 VAL A 12 -7.371 1.516 -0.780 1.00 0.00 H new ATOM 0 HG21 VAL A 12 -10.225 0.406 -0.947 1.00 0.00 H new ATOM 0 HG22 VAL A 12 -8.841 -0.144 -1.922 1.00 0.00 H new ATOM 0 HG23 VAL A 12 -9.775 -1.316 -0.962 1.00 0.00 H new ATOM 187 N LEU A 13 -5.972 -0.173 -1.704 1.00 0.00 N ATOM 188 CA LEU A 13 -5.420 -0.201 -3.088 1.00 0.00 C ATOM 189 C LEU A 13 -4.170 -1.081 -3.120 1.00 0.00 C ATOM 190 O LEU A 13 -3.926 -1.791 -4.075 1.00 0.00 O ATOM 191 CB LEU A 13 -5.058 1.221 -3.519 1.00 0.00 C ATOM 192 CG LEU A 13 -6.329 1.966 -3.931 1.00 0.00 C ATOM 193 CD1 LEU A 13 -5.980 3.411 -4.297 1.00 0.00 C ATOM 194 CD2 LEU A 13 -6.956 1.270 -5.139 1.00 0.00 C ATOM 0 H LEU A 13 -5.691 0.629 -1.141 1.00 0.00 H new ATOM 0 HA LEU A 13 -6.166 -0.608 -3.771 1.00 0.00 H new ATOM 0 HB2 LEU A 13 -4.564 1.746 -2.701 1.00 0.00 H new ATOM 0 HB3 LEU A 13 -4.354 1.193 -4.351 1.00 0.00 H new ATOM 0 HG LEU A 13 -7.037 1.964 -3.102 1.00 0.00 H new ATOM 0 HD11 LEU A 13 -6.886 3.941 -4.590 1.00 0.00 H new ATOM 0 HD12 LEU A 13 -5.533 3.907 -3.435 1.00 0.00 H new ATOM 0 HD13 LEU A 13 -5.272 3.416 -5.126 1.00 0.00 H new ATOM 0 HD21 LEU A 13 -7.862 1.799 -5.434 1.00 0.00 H new ATOM 0 HD22 LEU A 13 -6.248 1.272 -5.968 1.00 0.00 H new ATOM 0 HD23 LEU A 13 -7.206 0.242 -4.877 1.00 0.00 H new ATOM 206 N LEU A 14 -3.376 -1.043 -2.084 1.00 0.00 N ATOM 207 CA LEU A 14 -2.145 -1.880 -2.060 1.00 0.00 C ATOM 208 C LEU A 14 -2.513 -3.331 -2.379 1.00 0.00 C ATOM 209 O LEU A 14 -2.007 -3.917 -3.315 1.00 0.00 O ATOM 210 CB LEU A 14 -1.506 -1.807 -0.670 1.00 0.00 C ATOM 211 CG LEU A 14 -1.016 -0.380 -0.410 1.00 0.00 C ATOM 212 CD1 LEU A 14 -0.300 -0.322 0.941 1.00 0.00 C ATOM 213 CD2 LEU A 14 -0.044 0.034 -1.517 1.00 0.00 C ATOM 0 H LEU A 14 -3.527 -0.469 -1.255 1.00 0.00 H new ATOM 0 HA LEU A 14 -1.438 -1.512 -2.803 1.00 0.00 H new ATOM 0 HB2 LEU A 14 -2.230 -2.099 0.091 1.00 0.00 H new ATOM 0 HB3 LEU A 14 -0.673 -2.507 -0.603 1.00 0.00 H new ATOM 0 HG LEU A 14 -1.869 0.299 -0.399 1.00 0.00 H new ATOM 0 HD11 LEU A 14 0.048 0.694 1.125 1.00 0.00 H new ATOM 0 HD12 LEU A 14 -0.990 -0.618 1.731 1.00 0.00 H new ATOM 0 HD13 LEU A 14 0.552 -1.001 0.931 1.00 0.00 H new ATOM 0 HD21 LEU A 14 0.306 1.050 -1.333 1.00 0.00 H new ATOM 0 HD22 LEU A 14 0.807 -0.647 -1.527 1.00 0.00 H new ATOM 0 HD23 LEU A 14 -0.552 -0.006 -2.481 1.00 0.00 H new ATOM 225 N LYS A 15 -3.392 -3.914 -1.612 1.00 0.00 N ATOM 226 CA LYS A 15 -3.792 -5.326 -1.874 1.00 0.00 C ATOM 227 C LYS A 15 -4.324 -5.446 -3.305 1.00 0.00 C ATOM 228 O LYS A 15 -4.226 -6.484 -3.928 1.00 0.00 O ATOM 229 CB LYS A 15 -4.888 -5.739 -0.889 1.00 0.00 C ATOM 230 CG LYS A 15 -4.268 -6.529 0.266 1.00 0.00 C ATOM 231 CD LYS A 15 -5.159 -7.726 0.600 1.00 0.00 C ATOM 232 CE LYS A 15 -5.893 -7.466 1.917 1.00 0.00 C ATOM 233 NZ LYS A 15 -6.373 -8.759 2.481 1.00 0.00 N ATOM 0 H LYS A 15 -3.851 -3.474 -0.815 1.00 0.00 H new ATOM 0 HA LYS A 15 -2.927 -5.977 -1.749 1.00 0.00 H new ATOM 0 HB2 LYS A 15 -5.399 -4.856 -0.506 1.00 0.00 H new ATOM 0 HB3 LYS A 15 -5.638 -6.346 -1.397 1.00 0.00 H new ATOM 0 HG2 LYS A 15 -3.269 -6.870 -0.007 1.00 0.00 H new ATOM 0 HG3 LYS A 15 -4.158 -5.889 1.141 1.00 0.00 H new ATOM 0 HD2 LYS A 15 -5.878 -7.892 -0.202 1.00 0.00 H new ATOM 0 HD3 LYS A 15 -4.556 -8.630 0.680 1.00 0.00 H new ATOM 0 HE2 LYS A 15 -5.228 -6.973 2.625 1.00 0.00 H new ATOM 0 HE3 LYS A 15 -6.735 -6.795 1.750 1.00 0.00 H new ATOM 0 HZ1 LYS A 15 -6.872 -8.583 3.376 1.00 0.00 H new ATOM 0 HZ2 LYS A 15 -7.022 -9.213 1.806 1.00 0.00 H new ATOM 0 HZ3 LYS A 15 -5.561 -9.385 2.655 1.00 0.00 H new ATOM 247 N LYS A 16 -4.889 -4.392 -3.829 1.00 0.00 N ATOM 248 CA LYS A 16 -5.430 -4.449 -5.218 1.00 0.00 C ATOM 249 C LYS A 16 -4.278 -4.629 -6.210 1.00 0.00 C ATOM 250 O LYS A 16 -4.414 -5.293 -7.219 1.00 0.00 O ATOM 251 CB LYS A 16 -6.173 -3.147 -5.531 1.00 0.00 C ATOM 252 CG LYS A 16 -6.771 -3.225 -6.938 1.00 0.00 C ATOM 253 CD LYS A 16 -8.270 -2.925 -6.873 1.00 0.00 C ATOM 254 CE LYS A 16 -9.025 -3.890 -7.790 1.00 0.00 C ATOM 255 NZ LYS A 16 -10.439 -3.439 -7.930 1.00 0.00 N ATOM 0 H LYS A 16 -4.999 -3.495 -3.356 1.00 0.00 H new ATOM 0 HA LYS A 16 -6.118 -5.290 -5.304 1.00 0.00 H new ATOM 0 HB2 LYS A 16 -6.962 -2.981 -4.798 1.00 0.00 H new ATOM 0 HB3 LYS A 16 -5.490 -2.300 -5.461 1.00 0.00 H new ATOM 0 HG2 LYS A 16 -6.275 -2.511 -7.596 1.00 0.00 H new ATOM 0 HG3 LYS A 16 -6.606 -4.216 -7.360 1.00 0.00 H new ATOM 0 HD2 LYS A 16 -8.628 -3.026 -5.848 1.00 0.00 H new ATOM 0 HD3 LYS A 16 -8.459 -1.895 -7.177 1.00 0.00 H new ATOM 0 HE2 LYS A 16 -8.546 -3.929 -8.768 1.00 0.00 H new ATOM 0 HE3 LYS A 16 -8.993 -4.899 -7.379 1.00 0.00 H new ATOM 0 HZ1 LYS A 16 -10.952 -4.095 -8.553 1.00 0.00 H new ATOM 0 HZ2 LYS A 16 -10.893 -3.424 -6.994 1.00 0.00 H new ATOM 0 HZ3 LYS A 16 -10.460 -2.484 -8.340 1.00 0.00 H new ATOM 269 N ALA A 17 -3.144 -4.045 -5.933 1.00 0.00 N ATOM 270 CA ALA A 17 -1.987 -4.187 -6.862 1.00 0.00 C ATOM 271 C ALA A 17 -1.570 -5.656 -6.940 1.00 0.00 C ATOM 272 O ALA A 17 -1.499 -6.236 -8.006 1.00 0.00 O ATOM 273 CB ALA A 17 -0.814 -3.350 -6.348 1.00 0.00 C ATOM 0 H ALA A 17 -2.969 -3.476 -5.105 1.00 0.00 H new ATOM 0 HA ALA A 17 -2.275 -3.839 -7.854 1.00 0.00 H new ATOM 0 HB1 ALA A 17 0.032 -3.454 -7.027 1.00 0.00 H new ATOM 0 HB2 ALA A 17 -1.110 -2.302 -6.295 1.00 0.00 H new ATOM 0 HB3 ALA A 17 -0.527 -3.697 -5.355 1.00 0.00 H new ATOM 279 N ALA A 18 -1.292 -6.265 -5.818 1.00 0.00 N ATOM 280 CA ALA A 18 -0.881 -7.696 -5.831 1.00 0.00 C ATOM 281 C ALA A 18 -1.950 -8.525 -6.545 1.00 0.00 C ATOM 282 O ALA A 18 -1.681 -9.192 -7.526 1.00 0.00 O ATOM 283 CB ALA A 18 -0.724 -8.197 -4.394 1.00 0.00 C ATOM 0 H ALA A 18 -1.332 -5.833 -4.895 1.00 0.00 H new ATOM 0 HA ALA A 18 0.069 -7.796 -6.355 1.00 0.00 H new ATOM 0 HB1 ALA A 18 -0.423 -9.245 -4.405 1.00 0.00 H new ATOM 0 HB2 ALA A 18 0.037 -7.606 -3.884 1.00 0.00 H new ATOM 0 HB3 ALA A 18 -1.674 -8.098 -3.868 1.00 0.00 H new ATOM 289 N GLY A 19 -3.162 -8.488 -6.063 1.00 0.00 N ATOM 290 CA GLY A 19 -4.248 -9.272 -6.716 1.00 0.00 C ATOM 291 C GLY A 19 -4.960 -10.135 -5.672 1.00 0.00 C ATOM 292 O GLY A 19 -5.340 -11.258 -5.938 1.00 0.00 O ATOM 0 H GLY A 19 -3.447 -7.949 -5.245 1.00 0.00 H new ATOM 0 HA2 GLY A 19 -4.960 -8.598 -7.192 1.00 0.00 H new ATOM 0 HA3 GLY A 19 -3.832 -9.903 -7.501 1.00 0.00 H new ATOM 485 N ALA A 33 1.077 -13.314 -0.717 1.00 0.00 N ATOM 486 CA ALA A 33 1.160 -12.497 -1.960 1.00 0.00 C ATOM 487 C ALA A 33 2.326 -11.515 -1.842 1.00 0.00 C ATOM 488 O ALA A 33 2.512 -10.877 -0.826 1.00 0.00 O ATOM 489 CB ALA A 33 -0.146 -11.720 -2.148 1.00 0.00 C ATOM 0 HA ALA A 33 1.319 -13.151 -2.818 1.00 0.00 H new ATOM 0 HB1 ALA A 33 -0.086 -11.122 -3.057 1.00 0.00 H new ATOM 0 HB2 ALA A 33 -0.978 -12.420 -2.228 1.00 0.00 H new ATOM 0 HB3 ALA A 33 -0.306 -11.064 -1.292 1.00 0.00 H new ATOM 495 N THR A 34 3.118 -11.391 -2.872 1.00 0.00 N ATOM 496 CA THR A 34 4.273 -10.453 -2.810 1.00 0.00 C ATOM 497 C THR A 34 3.925 -9.158 -3.544 1.00 0.00 C ATOM 498 O THR A 34 3.197 -9.158 -4.518 1.00 0.00 O ATOM 499 CB THR A 34 5.494 -11.101 -3.466 1.00 0.00 C ATOM 500 OG1 THR A 34 5.070 -12.150 -4.324 1.00 0.00 O ATOM 501 CG2 THR A 34 6.414 -11.664 -2.382 1.00 0.00 C ATOM 0 H THR A 34 3.015 -11.898 -3.751 1.00 0.00 H new ATOM 0 HA THR A 34 4.498 -10.227 -1.768 1.00 0.00 H new ATOM 0 HB THR A 34 6.034 -10.355 -4.048 1.00 0.00 H new ATOM 0 HG1 THR A 34 4.505 -11.782 -5.036 1.00 0.00 H new ATOM 0 HG21 THR A 34 7.285 -12.126 -2.848 1.00 0.00 H new ATOM 0 HG22 THR A 34 6.739 -10.857 -1.726 1.00 0.00 H new ATOM 0 HG23 THR A 34 5.875 -12.411 -1.799 1.00 0.00 H new ATOM 509 N ILE A 35 4.444 -8.054 -3.083 1.00 0.00 N ATOM 510 CA ILE A 35 4.151 -6.754 -3.747 1.00 0.00 C ATOM 511 C ILE A 35 5.465 -6.089 -4.162 1.00 0.00 C ATOM 512 O ILE A 35 6.182 -5.548 -3.344 1.00 0.00 O ATOM 513 CB ILE A 35 3.398 -5.844 -2.768 1.00 0.00 C ATOM 514 CG1 ILE A 35 1.936 -6.285 -2.686 1.00 0.00 C ATOM 515 CG2 ILE A 35 3.460 -4.391 -3.247 1.00 0.00 C ATOM 516 CD1 ILE A 35 1.221 -5.936 -3.993 1.00 0.00 C ATOM 0 H ILE A 35 5.060 -7.996 -2.272 1.00 0.00 H new ATOM 0 HA ILE A 35 3.537 -6.922 -4.631 1.00 0.00 H new ATOM 0 HB ILE A 35 3.863 -5.918 -1.785 1.00 0.00 H new ATOM 0 HG12 ILE A 35 1.879 -7.358 -2.504 1.00 0.00 H new ATOM 0 HG13 ILE A 35 1.444 -5.793 -1.847 1.00 0.00 H new ATOM 0 HG21 ILE A 35 2.923 -3.753 -2.545 1.00 0.00 H new ATOM 0 HG22 ILE A 35 4.500 -4.071 -3.305 1.00 0.00 H new ATOM 0 HG23 ILE A 35 3.001 -4.313 -4.233 1.00 0.00 H new ATOM 0 HD11 ILE A 35 0.179 -6.251 -3.933 1.00 0.00 H new ATOM 0 HD12 ILE A 35 1.266 -4.859 -4.156 1.00 0.00 H new ATOM 0 HD13 ILE A 35 1.708 -6.449 -4.822 1.00 0.00 H new ATOM 528 N LYS A 36 5.783 -6.118 -5.427 1.00 0.00 N ATOM 529 CA LYS A 36 7.046 -5.479 -5.884 1.00 0.00 C ATOM 530 C LYS A 36 7.085 -4.037 -5.377 1.00 0.00 C ATOM 531 O LYS A 36 6.064 -3.395 -5.227 1.00 0.00 O ATOM 532 CB LYS A 36 7.098 -5.483 -7.413 1.00 0.00 C ATOM 533 CG LYS A 36 7.768 -6.771 -7.897 1.00 0.00 C ATOM 534 CD LYS A 36 6.803 -7.542 -8.800 1.00 0.00 C ATOM 535 CE LYS A 36 7.172 -9.027 -8.792 1.00 0.00 C ATOM 536 NZ LYS A 36 8.334 -9.254 -9.697 1.00 0.00 N ATOM 0 H LYS A 36 5.225 -6.555 -6.160 1.00 0.00 H new ATOM 0 HA LYS A 36 7.901 -6.032 -5.494 1.00 0.00 H new ATOM 0 HB2 LYS A 36 6.090 -5.409 -7.822 1.00 0.00 H new ATOM 0 HB3 LYS A 36 7.652 -4.615 -7.771 1.00 0.00 H new ATOM 0 HG2 LYS A 36 8.682 -6.535 -8.442 1.00 0.00 H new ATOM 0 HG3 LYS A 36 8.055 -7.387 -7.044 1.00 0.00 H new ATOM 0 HD2 LYS A 36 5.778 -7.409 -8.452 1.00 0.00 H new ATOM 0 HD3 LYS A 36 6.848 -7.151 -9.816 1.00 0.00 H new ATOM 0 HE2 LYS A 36 7.418 -9.346 -7.779 1.00 0.00 H new ATOM 0 HE3 LYS A 36 6.321 -9.626 -9.117 1.00 0.00 H new ATOM 0 HZ1 LYS A 36 8.586 -10.263 -9.692 1.00 0.00 H new ATOM 0 HZ2 LYS A 36 8.083 -8.964 -10.664 1.00 0.00 H new ATOM 0 HZ3 LYS A 36 9.146 -8.693 -9.367 1.00 0.00 H new ATOM 550 N ARG A 37 8.251 -3.520 -5.113 1.00 0.00 N ATOM 551 CA ARG A 37 8.345 -2.119 -4.621 1.00 0.00 C ATOM 552 C ARG A 37 8.130 -1.178 -5.800 1.00 0.00 C ATOM 553 O ARG A 37 7.697 -0.054 -5.648 1.00 0.00 O ATOM 554 CB ARG A 37 9.732 -1.886 -4.027 1.00 0.00 C ATOM 555 CG ARG A 37 9.609 -1.055 -2.749 1.00 0.00 C ATOM 556 CD ARG A 37 8.858 -1.858 -1.683 1.00 0.00 C ATOM 557 NE ARG A 37 8.222 -0.922 -0.713 1.00 0.00 N ATOM 558 CZ ARG A 37 8.872 -0.545 0.355 1.00 0.00 C ATOM 559 NH1 ARG A 37 10.166 -0.385 0.308 1.00 0.00 N ATOM 560 NH2 ARG A 37 8.226 -0.327 1.468 1.00 0.00 N ATOM 0 H ARG A 37 9.142 -4.006 -5.216 1.00 0.00 H new ATOM 0 HA ARG A 37 7.591 -1.935 -3.855 1.00 0.00 H new ATOM 0 HB2 ARG A 37 10.210 -2.841 -3.808 1.00 0.00 H new ATOM 0 HB3 ARG A 37 10.366 -1.371 -4.749 1.00 0.00 H new ATOM 0 HG2 ARG A 37 10.599 -0.783 -2.383 1.00 0.00 H new ATOM 0 HG3 ARG A 37 9.080 -0.125 -2.958 1.00 0.00 H new ATOM 0 HD2 ARG A 37 8.099 -2.484 -2.152 1.00 0.00 H new ATOM 0 HD3 ARG A 37 9.546 -2.525 -1.163 1.00 0.00 H new ATOM 0 HE ARG A 37 7.278 -0.576 -0.884 1.00 0.00 H new ATOM 0 HH11 ARG A 37 10.670 -0.554 -0.563 1.00 0.00 H new ATOM 0 HH12 ARG A 37 10.674 -0.091 1.142 1.00 0.00 H new ATOM 0 HH21 ARG A 37 7.214 -0.451 1.503 1.00 0.00 H new ATOM 0 HH22 ARG A 37 8.733 -0.033 2.303 1.00 0.00 H new ATOM 574 N ASP A 38 8.432 -1.639 -6.979 1.00 0.00 N ATOM 575 CA ASP A 38 8.248 -0.785 -8.182 1.00 0.00 C ATOM 576 C ASP A 38 6.756 -0.503 -8.383 1.00 0.00 C ATOM 577 O ASP A 38 6.376 0.347 -9.164 1.00 0.00 O ATOM 578 CB ASP A 38 8.797 -1.512 -9.411 1.00 0.00 C ATOM 579 CG ASP A 38 10.320 -1.385 -9.442 1.00 0.00 C ATOM 580 OD1 ASP A 38 10.924 -1.466 -8.385 1.00 0.00 O ATOM 581 OD2 ASP A 38 10.859 -1.211 -10.523 1.00 0.00 O ATOM 0 H ASP A 38 8.799 -2.573 -7.162 1.00 0.00 H new ATOM 0 HA ASP A 38 8.782 0.155 -8.046 1.00 0.00 H new ATOM 0 HB2 ASP A 38 8.510 -2.563 -9.383 1.00 0.00 H new ATOM 0 HB3 ASP A 38 8.368 -1.088 -10.319 1.00 0.00 H new ATOM 586 N LYS A 39 5.909 -1.212 -7.687 1.00 0.00 N ATOM 587 CA LYS A 39 4.444 -0.987 -7.841 1.00 0.00 C ATOM 588 C LYS A 39 3.880 -0.360 -6.565 1.00 0.00 C ATOM 589 O LYS A 39 3.180 0.634 -6.607 1.00 0.00 O ATOM 590 CB LYS A 39 3.746 -2.325 -8.097 1.00 0.00 C ATOM 591 CG LYS A 39 2.822 -2.197 -9.310 1.00 0.00 C ATOM 592 CD LYS A 39 3.648 -1.834 -10.547 1.00 0.00 C ATOM 593 CE LYS A 39 3.368 -2.843 -11.662 1.00 0.00 C ATOM 594 NZ LYS A 39 4.575 -2.975 -12.527 1.00 0.00 N ATOM 0 H LYS A 39 6.169 -1.937 -7.018 1.00 0.00 H new ATOM 0 HA LYS A 39 4.271 -0.315 -8.682 1.00 0.00 H new ATOM 0 HB2 LYS A 39 4.486 -3.106 -8.272 1.00 0.00 H new ATOM 0 HB3 LYS A 39 3.172 -2.621 -7.219 1.00 0.00 H new ATOM 0 HG2 LYS A 39 2.291 -3.134 -9.477 1.00 0.00 H new ATOM 0 HG3 LYS A 39 2.068 -1.432 -9.126 1.00 0.00 H new ATOM 0 HD2 LYS A 39 3.398 -0.827 -10.882 1.00 0.00 H new ATOM 0 HD3 LYS A 39 4.710 -1.833 -10.301 1.00 0.00 H new ATOM 0 HE2 LYS A 39 3.106 -3.811 -11.234 1.00 0.00 H new ATOM 0 HE3 LYS A 39 2.515 -2.516 -12.257 1.00 0.00 H new ATOM 0 HZ1 LYS A 39 4.385 -3.661 -13.285 1.00 0.00 H new ATOM 0 HZ2 LYS A 39 4.805 -2.051 -12.945 1.00 0.00 H new ATOM 0 HZ3 LYS A 39 5.378 -3.305 -11.954 1.00 0.00 H new ATOM 608 N VAL A 40 4.170 -0.934 -5.428 1.00 0.00 N ATOM 609 CA VAL A 40 3.638 -0.368 -4.158 1.00 0.00 C ATOM 610 C VAL A 40 4.137 1.077 -4.023 1.00 0.00 C ATOM 611 O VAL A 40 3.422 1.957 -3.585 1.00 0.00 O ATOM 612 CB VAL A 40 4.109 -1.238 -2.973 1.00 0.00 C ATOM 613 CG1 VAL A 40 5.271 -0.579 -2.216 1.00 0.00 C ATOM 614 CG2 VAL A 40 2.936 -1.462 -2.017 1.00 0.00 C ATOM 0 H VAL A 40 4.750 -1.767 -5.325 1.00 0.00 H new ATOM 0 HA VAL A 40 2.548 -0.366 -4.161 1.00 0.00 H new ATOM 0 HB VAL A 40 4.464 -2.190 -3.367 1.00 0.00 H new ATOM 0 HG11 VAL A 40 5.576 -1.220 -1.389 1.00 0.00 H new ATOM 0 HG12 VAL A 40 6.112 -0.436 -2.894 1.00 0.00 H new ATOM 0 HG13 VAL A 40 4.950 0.388 -1.827 1.00 0.00 H new ATOM 0 HG21 VAL A 40 3.263 -2.076 -1.178 1.00 0.00 H new ATOM 0 HG22 VAL A 40 2.580 -0.501 -1.646 1.00 0.00 H new ATOM 0 HG23 VAL A 40 2.128 -1.969 -2.545 1.00 0.00 H new ATOM 624 N ARG A 41 5.361 1.322 -4.405 1.00 0.00 N ATOM 625 CA ARG A 41 5.916 2.701 -4.313 1.00 0.00 C ATOM 626 C ARG A 41 5.145 3.615 -5.266 1.00 0.00 C ATOM 627 O ARG A 41 5.053 4.808 -5.061 1.00 0.00 O ATOM 628 CB ARG A 41 7.395 2.683 -4.709 1.00 0.00 C ATOM 629 CG ARG A 41 8.048 4.009 -4.314 1.00 0.00 C ATOM 630 CD ARG A 41 8.261 4.865 -5.564 1.00 0.00 C ATOM 631 NE ARG A 41 9.650 4.671 -6.068 1.00 0.00 N ATOM 632 CZ ARG A 41 9.894 4.732 -7.350 1.00 0.00 C ATOM 633 NH1 ARG A 41 9.324 3.886 -8.165 1.00 0.00 N ATOM 634 NH2 ARG A 41 10.711 5.637 -7.817 1.00 0.00 N ATOM 0 H ARG A 41 6.003 0.623 -4.778 1.00 0.00 H new ATOM 0 HA ARG A 41 5.820 3.069 -3.292 1.00 0.00 H new ATOM 0 HB2 ARG A 41 7.904 1.854 -4.216 1.00 0.00 H new ATOM 0 HB3 ARG A 41 7.492 2.524 -5.783 1.00 0.00 H new ATOM 0 HG2 ARG A 41 7.417 4.539 -3.600 1.00 0.00 H new ATOM 0 HG3 ARG A 41 9.002 3.824 -3.820 1.00 0.00 H new ATOM 0 HD2 ARG A 41 7.541 4.588 -6.334 1.00 0.00 H new ATOM 0 HD3 ARG A 41 8.091 5.916 -5.331 1.00 0.00 H new ATOM 0 HE ARG A 41 10.410 4.491 -5.412 1.00 0.00 H new ATOM 0 HH11 ARG A 41 8.688 3.177 -7.801 1.00 0.00 H new ATOM 0 HH12 ARG A 41 9.515 3.934 -9.166 1.00 0.00 H new ATOM 0 HH21 ARG A 41 11.159 6.297 -7.181 1.00 0.00 H new ATOM 0 HH22 ARG A 41 10.901 5.684 -8.818 1.00 0.00 H new ATOM 648 N GLU A 42 4.590 3.059 -6.308 1.00 0.00 N ATOM 649 CA GLU A 42 3.821 3.888 -7.277 1.00 0.00 C ATOM 650 C GLU A 42 2.536 4.380 -6.612 1.00 0.00 C ATOM 651 O GLU A 42 2.176 5.535 -6.710 1.00 0.00 O ATOM 652 CB GLU A 42 3.466 3.042 -8.503 1.00 0.00 C ATOM 653 CG GLU A 42 4.197 3.590 -9.730 1.00 0.00 C ATOM 654 CD GLU A 42 3.831 2.752 -10.957 1.00 0.00 C ATOM 655 OE1 GLU A 42 2.941 1.927 -10.842 1.00 0.00 O ATOM 656 OE2 GLU A 42 4.447 2.952 -11.991 1.00 0.00 O ATOM 0 H GLU A 42 4.636 2.065 -6.530 1.00 0.00 H new ATOM 0 HA GLU A 42 4.424 4.742 -7.586 1.00 0.00 H new ATOM 0 HB2 GLU A 42 3.746 2.002 -8.334 1.00 0.00 H new ATOM 0 HB3 GLU A 42 2.389 3.059 -8.670 1.00 0.00 H new ATOM 0 HG2 GLU A 42 3.924 4.633 -9.894 1.00 0.00 H new ATOM 0 HG3 GLU A 42 5.274 3.564 -9.567 1.00 0.00 H new ATOM 663 N ILE A 43 1.840 3.512 -5.934 1.00 0.00 N ATOM 664 CA ILE A 43 0.579 3.932 -5.262 1.00 0.00 C ATOM 665 C ILE A 43 0.903 4.930 -4.149 1.00 0.00 C ATOM 666 O ILE A 43 0.229 5.926 -3.976 1.00 0.00 O ATOM 667 CB ILE A 43 -0.110 2.706 -4.662 1.00 0.00 C ATOM 668 CG1 ILE A 43 -0.593 1.790 -5.789 1.00 0.00 C ATOM 669 CG2 ILE A 43 -1.305 3.153 -3.820 1.00 0.00 C ATOM 670 CD1 ILE A 43 -0.982 0.428 -5.211 1.00 0.00 C ATOM 0 H ILE A 43 2.089 2.530 -5.816 1.00 0.00 H new ATOM 0 HA ILE A 43 -0.083 4.402 -5.990 1.00 0.00 H new ATOM 0 HB ILE A 43 0.596 2.165 -4.031 1.00 0.00 H new ATOM 0 HG12 ILE A 43 -1.447 2.239 -6.296 1.00 0.00 H new ATOM 0 HG13 ILE A 43 0.192 1.669 -6.535 1.00 0.00 H new ATOM 0 HG21 ILE A 43 -1.796 2.279 -3.392 1.00 0.00 H new ATOM 0 HG22 ILE A 43 -0.961 3.805 -3.017 1.00 0.00 H new ATOM 0 HG23 ILE A 43 -2.011 3.694 -4.449 1.00 0.00 H new ATOM 0 HD11 ILE A 43 -1.326 -0.223 -6.014 1.00 0.00 H new ATOM 0 HD12 ILE A 43 -0.116 -0.022 -4.725 1.00 0.00 H new ATOM 0 HD13 ILE A 43 -1.781 0.557 -4.481 1.00 0.00 H new ATOM 682 N ALA A 44 1.931 4.667 -3.389 1.00 0.00 N ATOM 683 CA ALA A 44 2.302 5.592 -2.281 1.00 0.00 C ATOM 684 C ALA A 44 2.663 6.967 -2.849 1.00 0.00 C ATOM 685 O ALA A 44 2.326 7.987 -2.283 1.00 0.00 O ATOM 686 CB ALA A 44 3.503 5.021 -1.527 1.00 0.00 C ATOM 0 H ALA A 44 2.532 3.849 -3.488 1.00 0.00 H new ATOM 0 HA ALA A 44 1.457 5.697 -1.601 1.00 0.00 H new ATOM 0 HB1 ALA A 44 3.777 5.695 -0.716 1.00 0.00 H new ATOM 0 HB2 ALA A 44 3.244 4.045 -1.116 1.00 0.00 H new ATOM 0 HB3 ALA A 44 4.345 4.915 -2.211 1.00 0.00 H new ATOM 692 N GLU A 45 3.350 7.007 -3.959 1.00 0.00 N ATOM 693 CA GLU A 45 3.728 8.324 -4.548 1.00 0.00 C ATOM 694 C GLU A 45 2.480 9.006 -5.114 1.00 0.00 C ATOM 695 O GLU A 45 2.428 10.212 -5.253 1.00 0.00 O ATOM 696 CB GLU A 45 4.765 8.116 -5.659 1.00 0.00 C ATOM 697 CG GLU A 45 4.076 7.643 -6.942 1.00 0.00 C ATOM 698 CD GLU A 45 4.159 8.743 -8.001 1.00 0.00 C ATOM 699 OE1 GLU A 45 5.038 9.581 -7.888 1.00 0.00 O ATOM 700 OE2 GLU A 45 3.342 8.729 -8.906 1.00 0.00 O ATOM 0 H GLU A 45 3.664 6.189 -4.481 1.00 0.00 H new ATOM 0 HA GLU A 45 4.162 8.958 -3.775 1.00 0.00 H new ATOM 0 HB2 GLU A 45 5.300 9.047 -5.847 1.00 0.00 H new ATOM 0 HB3 GLU A 45 5.505 7.381 -5.343 1.00 0.00 H new ATOM 0 HG2 GLU A 45 4.552 6.734 -7.309 1.00 0.00 H new ATOM 0 HG3 GLU A 45 3.034 7.397 -6.738 1.00 0.00 H new ATOM 707 N LEU A 46 1.473 8.242 -5.438 1.00 0.00 N ATOM 708 CA LEU A 46 0.228 8.846 -5.989 1.00 0.00 C ATOM 709 C LEU A 46 -0.521 9.564 -4.865 1.00 0.00 C ATOM 710 O LEU A 46 -0.991 10.673 -5.027 1.00 0.00 O ATOM 711 CB LEU A 46 -0.657 7.743 -6.572 1.00 0.00 C ATOM 712 CG LEU A 46 -0.050 7.237 -7.880 1.00 0.00 C ATOM 713 CD1 LEU A 46 -0.781 5.971 -8.329 1.00 0.00 C ATOM 714 CD2 LEU A 46 -0.190 8.317 -8.955 1.00 0.00 C ATOM 0 H LEU A 46 1.459 7.226 -5.345 1.00 0.00 H new ATOM 0 HA LEU A 46 0.480 9.559 -6.774 1.00 0.00 H new ATOM 0 HB2 LEU A 46 -0.749 6.922 -5.861 1.00 0.00 H new ATOM 0 HB3 LEU A 46 -1.662 8.125 -6.750 1.00 0.00 H new ATOM 0 HG LEU A 46 1.005 7.009 -7.727 1.00 0.00 H new ATOM 0 HD11 LEU A 46 -0.347 5.612 -9.262 1.00 0.00 H new ATOM 0 HD12 LEU A 46 -0.682 5.202 -7.563 1.00 0.00 H new ATOM 0 HD13 LEU A 46 -1.836 6.196 -8.483 1.00 0.00 H new ATOM 0 HD21 LEU A 46 0.242 7.959 -9.889 1.00 0.00 H new ATOM 0 HD22 LEU A 46 -1.245 8.544 -9.107 1.00 0.00 H new ATOM 0 HD23 LEU A 46 0.333 9.218 -8.635 1.00 0.00 H new ATOM 726 N LYS A 47 -0.631 8.940 -3.725 1.00 0.00 N ATOM 727 CA LYS A 47 -1.344 9.585 -2.587 1.00 0.00 C ATOM 728 C LYS A 47 -0.334 10.356 -1.733 1.00 0.00 C ATOM 729 O LYS A 47 -0.548 10.592 -0.562 1.00 0.00 O ATOM 730 CB LYS A 47 -2.017 8.509 -1.730 1.00 0.00 C ATOM 731 CG LYS A 47 -2.746 7.512 -2.635 1.00 0.00 C ATOM 732 CD LYS A 47 -2.607 6.100 -2.059 1.00 0.00 C ATOM 733 CE LYS A 47 -3.823 5.263 -2.460 1.00 0.00 C ATOM 734 NZ LYS A 47 -4.011 4.156 -1.479 1.00 0.00 N ATOM 0 H LYS A 47 -0.258 8.011 -3.532 1.00 0.00 H new ATOM 0 HA LYS A 47 -2.101 10.269 -2.970 1.00 0.00 H new ATOM 0 HB2 LYS A 47 -1.271 7.991 -1.128 1.00 0.00 H new ATOM 0 HB3 LYS A 47 -2.722 8.970 -1.038 1.00 0.00 H new ATOM 0 HG2 LYS A 47 -3.799 7.781 -2.715 1.00 0.00 H new ATOM 0 HG3 LYS A 47 -2.330 7.548 -3.642 1.00 0.00 H new ATOM 0 HD2 LYS A 47 -1.694 5.634 -2.428 1.00 0.00 H new ATOM 0 HD3 LYS A 47 -2.526 6.145 -0.973 1.00 0.00 H new ATOM 0 HE2 LYS A 47 -4.714 5.890 -2.492 1.00 0.00 H new ATOM 0 HE3 LYS A 47 -3.683 4.856 -3.461 1.00 0.00 H new ATOM 0 HZ1 LYS A 47 -5.019 3.906 -1.426 1.00 0.00 H new ATOM 0 HZ2 LYS A 47 -3.464 3.325 -1.784 1.00 0.00 H new ATOM 0 HZ3 LYS A 47 -3.681 4.463 -0.542 1.00 0.00 H new ATOM 748 N MET A 48 0.768 10.746 -2.312 1.00 0.00 N ATOM 749 CA MET A 48 1.792 11.496 -1.532 1.00 0.00 C ATOM 750 C MET A 48 1.145 12.711 -0.859 1.00 0.00 C ATOM 751 O MET A 48 1.279 12.897 0.335 1.00 0.00 O ATOM 752 CB MET A 48 2.910 11.962 -2.469 1.00 0.00 C ATOM 753 CG MET A 48 4.245 11.381 -1.999 1.00 0.00 C ATOM 754 SD MET A 48 5.544 12.627 -2.184 1.00 0.00 S ATOM 755 CE MET A 48 5.333 13.418 -0.570 1.00 0.00 C ATOM 0 H MET A 48 1.003 10.578 -3.290 1.00 0.00 H new ATOM 0 HA MET A 48 2.210 10.843 -0.766 1.00 0.00 H new ATOM 0 HB2 MET A 48 2.701 11.641 -3.490 1.00 0.00 H new ATOM 0 HB3 MET A 48 2.959 13.051 -2.481 1.00 0.00 H new ATOM 0 HG2 MET A 48 4.171 11.069 -0.957 1.00 0.00 H new ATOM 0 HG3 MET A 48 4.492 10.493 -2.581 1.00 0.00 H new ATOM 0 HE1 MET A 48 5.606 14.471 -0.642 1.00 0.00 H new ATOM 0 HE2 MET A 48 4.292 13.334 -0.257 1.00 0.00 H new ATOM 0 HE3 MET A 48 5.973 12.926 0.163 1.00 0.00 H new ATOM 765 N PRO A 49 0.464 13.509 -1.646 1.00 0.00 N ATOM 766 CA PRO A 49 -0.212 14.722 -1.152 1.00 0.00 C ATOM 767 C PRO A 49 -1.555 14.377 -0.492 1.00 0.00 C ATOM 768 O PRO A 49 -2.524 15.097 -0.636 1.00 0.00 O ATOM 769 CB PRO A 49 -0.434 15.546 -2.424 1.00 0.00 C ATOM 770 CG PRO A 49 -0.407 14.546 -3.604 1.00 0.00 C ATOM 771 CD PRO A 49 0.313 13.281 -3.099 1.00 0.00 C ATOM 0 HA PRO A 49 0.367 15.248 -0.393 1.00 0.00 H new ATOM 0 HB2 PRO A 49 -1.387 16.073 -2.384 1.00 0.00 H new ATOM 0 HB3 PRO A 49 0.343 16.302 -2.538 1.00 0.00 H new ATOM 0 HG2 PRO A 49 -1.419 14.309 -3.933 1.00 0.00 H new ATOM 0 HG3 PRO A 49 0.116 14.972 -4.460 1.00 0.00 H new ATOM 0 HD2 PRO A 49 -0.269 12.382 -3.303 1.00 0.00 H new ATOM 0 HD3 PRO A 49 1.280 13.152 -3.585 1.00 0.00 H new ATOM 779 N ASP A 50 -1.628 13.291 0.231 1.00 0.00 N ATOM 780 CA ASP A 50 -2.916 12.929 0.892 1.00 0.00 C ATOM 781 C ASP A 50 -2.644 12.031 2.103 1.00 0.00 C ATOM 782 O ASP A 50 -3.503 11.292 2.543 1.00 0.00 O ATOM 783 CB ASP A 50 -3.821 12.189 -0.100 1.00 0.00 C ATOM 784 CG ASP A 50 -3.539 12.679 -1.521 1.00 0.00 C ATOM 785 OD1 ASP A 50 -2.456 12.412 -2.015 1.00 0.00 O ATOM 786 OD2 ASP A 50 -4.412 13.312 -2.092 1.00 0.00 O ATOM 0 H ASP A 50 -0.857 12.643 0.392 1.00 0.00 H new ATOM 0 HA ASP A 50 -3.413 13.841 1.223 1.00 0.00 H new ATOM 0 HB2 ASP A 50 -3.647 11.115 -0.034 1.00 0.00 H new ATOM 0 HB3 ASP A 50 -4.868 12.358 0.152 1.00 0.00 H new ATOM 791 N LEU A 51 -1.462 12.093 2.654 1.00 0.00 N ATOM 792 CA LEU A 51 -1.145 11.247 3.843 1.00 0.00 C ATOM 793 C LEU A 51 -0.023 11.906 4.649 1.00 0.00 C ATOM 794 O LEU A 51 0.744 11.244 5.320 1.00 0.00 O ATOM 795 CB LEU A 51 -0.701 9.838 3.416 1.00 0.00 C ATOM 796 CG LEU A 51 -0.542 9.755 1.895 1.00 0.00 C ATOM 797 CD1 LEU A 51 0.513 8.701 1.550 1.00 0.00 C ATOM 798 CD2 LEU A 51 -1.879 9.358 1.266 1.00 0.00 C ATOM 0 H LEU A 51 -0.702 12.692 2.333 1.00 0.00 H new ATOM 0 HA LEU A 51 -2.045 11.157 4.451 1.00 0.00 H new ATOM 0 HB2 LEU A 51 0.244 9.588 3.899 1.00 0.00 H new ATOM 0 HB3 LEU A 51 -1.434 9.104 3.750 1.00 0.00 H new ATOM 0 HG LEU A 51 -0.229 10.725 1.508 1.00 0.00 H new ATOM 0 HD11 LEU A 51 0.627 8.641 0.468 1.00 0.00 H new ATOM 0 HD12 LEU A 51 1.466 8.979 2.000 1.00 0.00 H new ATOM 0 HD13 LEU A 51 0.198 7.731 1.936 1.00 0.00 H new ATOM 0 HD21 LEU A 51 -1.768 9.298 0.183 1.00 0.00 H new ATOM 0 HD22 LEU A 51 -2.189 8.387 1.653 1.00 0.00 H new ATOM 0 HD23 LEU A 51 -2.633 10.105 1.513 1.00 0.00 H new ATOM 810 N ASN A 52 0.079 13.205 4.589 1.00 0.00 N ATOM 811 CA ASN A 52 1.149 13.907 5.353 1.00 0.00 C ATOM 812 C ASN A 52 2.500 13.241 5.080 1.00 0.00 C ATOM 813 O ASN A 52 3.200 12.842 5.989 1.00 0.00 O ATOM 814 CB ASN A 52 0.839 13.829 6.849 1.00 0.00 C ATOM 815 CG ASN A 52 -0.525 14.466 7.122 1.00 0.00 C ATOM 816 OD1 ASN A 52 -1.511 14.098 6.515 1.00 0.00 O ATOM 817 ND2 ASN A 52 -0.624 15.411 8.015 1.00 0.00 N ATOM 0 H ASN A 52 -0.533 13.812 4.043 1.00 0.00 H new ATOM 0 HA ASN A 52 1.190 14.950 5.040 1.00 0.00 H new ATOM 0 HB2 ASN A 52 0.839 12.790 7.177 1.00 0.00 H new ATOM 0 HB3 ASN A 52 1.613 14.343 7.419 1.00 0.00 H new ATOM 0 HD21 ASN A 52 -1.529 15.841 8.204 1.00 0.00 H new ATOM 0 HD22 ASN A 52 0.204 15.720 8.525 1.00 0.00 H new ATOM 824 N ALA A 53 2.873 13.118 3.835 1.00 0.00 N ATOM 825 CA ALA A 53 4.181 12.480 3.509 1.00 0.00 C ATOM 826 C ALA A 53 5.182 13.560 3.093 1.00 0.00 C ATOM 827 O ALA A 53 5.071 14.148 2.036 1.00 0.00 O ATOM 828 CB ALA A 53 3.991 11.490 2.358 1.00 0.00 C ATOM 0 H ALA A 53 2.330 13.431 3.031 1.00 0.00 H new ATOM 0 HA ALA A 53 4.558 11.951 4.384 1.00 0.00 H new ATOM 0 HB1 ALA A 53 4.946 11.023 2.118 1.00 0.00 H new ATOM 0 HB2 ALA A 53 3.275 10.722 2.653 1.00 0.00 H new ATOM 0 HB3 ALA A 53 3.616 12.019 1.482 1.00 0.00 H new ATOM 834 N ALA A 54 6.158 13.827 3.917 1.00 0.00 N ATOM 835 CA ALA A 54 7.163 14.870 3.565 1.00 0.00 C ATOM 836 C ALA A 54 8.037 14.370 2.412 1.00 0.00 C ATOM 837 O ALA A 54 8.801 15.116 1.833 1.00 0.00 O ATOM 838 CB ALA A 54 8.044 15.162 4.782 1.00 0.00 C ATOM 0 H ALA A 54 6.303 13.369 4.817 1.00 0.00 H new ATOM 0 HA ALA A 54 6.648 15.781 3.262 1.00 0.00 H new ATOM 0 HB1 ALA A 54 8.779 15.925 4.525 1.00 0.00 H new ATOM 0 HB2 ALA A 54 7.423 15.519 5.603 1.00 0.00 H new ATOM 0 HB3 ALA A 54 8.558 14.250 5.086 1.00 0.00 H new ATOM 844 N SER A 55 7.929 13.114 2.073 1.00 0.00 N ATOM 845 CA SER A 55 8.754 12.570 0.956 1.00 0.00 C ATOM 846 C SER A 55 8.310 11.140 0.644 1.00 0.00 C ATOM 847 O SER A 55 7.406 10.611 1.260 1.00 0.00 O ATOM 848 CB SER A 55 10.227 12.567 1.365 1.00 0.00 C ATOM 849 OG SER A 55 10.326 12.353 2.767 1.00 0.00 O ATOM 0 H SER A 55 7.306 12.442 2.520 1.00 0.00 H new ATOM 0 HA SER A 55 8.623 13.193 0.071 1.00 0.00 H new ATOM 0 HB2 SER A 55 10.764 11.785 0.828 1.00 0.00 H new ATOM 0 HB3 SER A 55 10.693 13.515 1.097 1.00 0.00 H new ATOM 0 HG SER A 55 11.270 12.349 3.031 1.00 0.00 H new ATOM 855 N ILE A 56 8.940 10.505 -0.307 1.00 0.00 N ATOM 856 CA ILE A 56 8.550 9.108 -0.649 1.00 0.00 C ATOM 857 C ILE A 56 8.781 8.214 0.568 1.00 0.00 C ATOM 858 O ILE A 56 7.920 7.457 0.967 1.00 0.00 O ATOM 859 CB ILE A 56 9.395 8.595 -1.816 1.00 0.00 C ATOM 860 CG1 ILE A 56 9.486 9.663 -2.912 1.00 0.00 C ATOM 861 CG2 ILE A 56 8.752 7.334 -2.393 1.00 0.00 C ATOM 862 CD1 ILE A 56 8.080 10.069 -3.359 1.00 0.00 C ATOM 0 H ILE A 56 9.705 10.892 -0.860 1.00 0.00 H new ATOM 0 HA ILE A 56 7.499 9.090 -0.936 1.00 0.00 H new ATOM 0 HB ILE A 56 10.398 8.368 -1.455 1.00 0.00 H new ATOM 0 HG12 ILE A 56 10.025 10.534 -2.540 1.00 0.00 H new ATOM 0 HG13 ILE A 56 10.051 9.278 -3.761 1.00 0.00 H new ATOM 0 HG21 ILE A 56 9.353 6.967 -3.225 1.00 0.00 H new ATOM 0 HG22 ILE A 56 8.696 6.568 -1.620 1.00 0.00 H new ATOM 0 HG23 ILE A 56 7.747 7.567 -2.746 1.00 0.00 H new ATOM 0 HD11 ILE A 56 8.151 10.828 -4.138 1.00 0.00 H new ATOM 0 HD12 ILE A 56 7.556 9.196 -3.749 1.00 0.00 H new ATOM 0 HD13 ILE A 56 7.530 10.472 -2.509 1.00 0.00 H new ATOM 874 N GLU A 57 9.937 8.297 1.169 1.00 0.00 N ATOM 875 CA GLU A 57 10.207 7.453 2.364 1.00 0.00 C ATOM 876 C GLU A 57 9.056 7.624 3.356 1.00 0.00 C ATOM 877 O GLU A 57 8.811 6.778 4.193 1.00 0.00 O ATOM 878 CB GLU A 57 11.519 7.894 3.017 1.00 0.00 C ATOM 879 CG GLU A 57 12.694 7.476 2.133 1.00 0.00 C ATOM 880 CD GLU A 57 14.008 7.750 2.867 1.00 0.00 C ATOM 881 OE1 GLU A 57 14.318 7.009 3.784 1.00 0.00 O ATOM 882 OE2 GLU A 57 14.682 8.698 2.498 1.00 0.00 O ATOM 0 H GLU A 57 10.701 8.910 0.885 1.00 0.00 H new ATOM 0 HA GLU A 57 10.290 6.407 2.070 1.00 0.00 H new ATOM 0 HB2 GLU A 57 11.522 8.975 3.158 1.00 0.00 H new ATOM 0 HB3 GLU A 57 11.615 7.444 4.005 1.00 0.00 H new ATOM 0 HG2 GLU A 57 12.618 6.417 1.885 1.00 0.00 H new ATOM 0 HG3 GLU A 57 12.669 8.026 1.192 1.00 0.00 H new ATOM 889 N ALA A 58 8.345 8.716 3.261 1.00 0.00 N ATOM 890 CA ALA A 58 7.204 8.949 4.187 1.00 0.00 C ATOM 891 C ALA A 58 5.951 8.276 3.621 1.00 0.00 C ATOM 892 O ALA A 58 5.139 7.744 4.352 1.00 0.00 O ATOM 893 CB ALA A 58 6.960 10.452 4.326 1.00 0.00 C ATOM 0 H ALA A 58 8.508 9.457 2.579 1.00 0.00 H new ATOM 0 HA ALA A 58 7.434 8.529 5.166 1.00 0.00 H new ATOM 0 HB1 ALA A 58 6.124 10.624 5.004 1.00 0.00 H new ATOM 0 HB2 ALA A 58 7.855 10.931 4.724 1.00 0.00 H new ATOM 0 HB3 ALA A 58 6.727 10.875 3.349 1.00 0.00 H new ATOM 899 N ALA A 59 5.790 8.291 2.325 1.00 0.00 N ATOM 900 CA ALA A 59 4.591 7.644 1.719 1.00 0.00 C ATOM 901 C ALA A 59 4.784 6.128 1.734 1.00 0.00 C ATOM 902 O ALA A 59 4.075 5.406 2.409 1.00 0.00 O ATOM 903 CB ALA A 59 4.421 8.126 0.278 1.00 0.00 C ATOM 0 H ALA A 59 6.434 8.722 1.662 1.00 0.00 H new ATOM 0 HA ALA A 59 3.701 7.908 2.291 1.00 0.00 H new ATOM 0 HB1 ALA A 59 3.544 7.652 -0.163 1.00 0.00 H new ATOM 0 HB2 ALA A 59 4.291 9.208 0.269 1.00 0.00 H new ATOM 0 HB3 ALA A 59 5.306 7.862 -0.301 1.00 0.00 H new ATOM 909 N MET A 60 5.744 5.639 0.999 1.00 0.00 N ATOM 910 CA MET A 60 5.993 4.172 0.975 1.00 0.00 C ATOM 911 C MET A 60 5.948 3.631 2.406 1.00 0.00 C ATOM 912 O MET A 60 5.661 2.475 2.631 1.00 0.00 O ATOM 913 CB MET A 60 7.370 3.898 0.371 1.00 0.00 C ATOM 914 CG MET A 60 7.232 3.686 -1.139 1.00 0.00 C ATOM 915 SD MET A 60 7.818 2.030 -1.572 1.00 0.00 S ATOM 916 CE MET A 60 9.589 2.400 -1.527 1.00 0.00 C ATOM 0 H MET A 60 6.368 6.194 0.413 1.00 0.00 H new ATOM 0 HA MET A 60 5.229 3.681 0.372 1.00 0.00 H new ATOM 0 HB2 MET A 60 8.040 4.734 0.572 1.00 0.00 H new ATOM 0 HB3 MET A 60 7.813 3.016 0.834 1.00 0.00 H new ATOM 0 HG2 MET A 60 6.191 3.805 -1.440 1.00 0.00 H new ATOM 0 HG3 MET A 60 7.808 4.439 -1.677 1.00 0.00 H new ATOM 0 HE1 MET A 60 10.096 1.848 -2.318 1.00 0.00 H new ATOM 0 HE2 MET A 60 9.741 3.469 -1.676 1.00 0.00 H new ATOM 0 HE3 MET A 60 9.998 2.107 -0.560 1.00 0.00 H new ATOM 926 N ARG A 61 6.230 4.461 3.374 1.00 0.00 N ATOM 927 CA ARG A 61 6.200 3.996 4.789 1.00 0.00 C ATOM 928 C ARG A 61 4.819 3.420 5.099 1.00 0.00 C ATOM 929 O ARG A 61 4.684 2.288 5.518 1.00 0.00 O ATOM 930 CB ARG A 61 6.477 5.177 5.721 1.00 0.00 C ATOM 931 CG ARG A 61 7.886 5.052 6.303 1.00 0.00 C ATOM 932 CD ARG A 61 8.127 6.186 7.301 1.00 0.00 C ATOM 933 NE ARG A 61 7.085 6.142 8.365 1.00 0.00 N ATOM 934 CZ ARG A 61 7.426 5.903 9.602 1.00 0.00 C ATOM 935 NH1 ARG A 61 8.532 6.401 10.082 1.00 0.00 N ATOM 936 NH2 ARG A 61 6.659 5.166 10.359 1.00 0.00 N ATOM 0 H ARG A 61 6.480 5.441 3.245 1.00 0.00 H new ATOM 0 HA ARG A 61 6.961 3.230 4.938 1.00 0.00 H new ATOM 0 HB2 ARG A 61 6.380 6.115 5.174 1.00 0.00 H new ATOM 0 HB3 ARG A 61 5.741 5.199 6.525 1.00 0.00 H new ATOM 0 HG2 ARG A 61 8.003 4.087 6.797 1.00 0.00 H new ATOM 0 HG3 ARG A 61 8.626 5.093 5.504 1.00 0.00 H new ATOM 0 HD2 ARG A 61 9.118 6.090 7.744 1.00 0.00 H new ATOM 0 HD3 ARG A 61 8.098 7.148 6.789 1.00 0.00 H new ATOM 0 HE ARG A 61 6.106 6.299 8.127 1.00 0.00 H new ATOM 0 HH11 ARG A 61 9.131 6.977 9.491 1.00 0.00 H new ATOM 0 HH12 ARG A 61 8.798 6.214 11.049 1.00 0.00 H new ATOM 0 HH21 ARG A 61 5.794 4.777 9.984 1.00 0.00 H new ATOM 0 HH22 ARG A 61 6.925 4.979 11.326 1.00 0.00 H new ATOM 950 N MET A 62 3.792 4.195 4.895 1.00 0.00 N ATOM 951 CA MET A 62 2.415 3.700 5.172 1.00 0.00 C ATOM 952 C MET A 62 2.106 2.530 4.238 1.00 0.00 C ATOM 953 O MET A 62 1.364 1.631 4.577 1.00 0.00 O ATOM 954 CB MET A 62 1.407 4.825 4.933 1.00 0.00 C ATOM 955 CG MET A 62 1.472 5.825 6.089 1.00 0.00 C ATOM 956 SD MET A 62 0.696 7.380 5.585 1.00 0.00 S ATOM 957 CE MET A 62 2.171 8.148 4.873 1.00 0.00 C ATOM 0 H MET A 62 3.846 5.152 4.547 1.00 0.00 H new ATOM 0 HA MET A 62 2.346 3.371 6.209 1.00 0.00 H new ATOM 0 HB2 MET A 62 1.625 5.328 3.991 1.00 0.00 H new ATOM 0 HB3 MET A 62 0.401 4.414 4.850 1.00 0.00 H new ATOM 0 HG2 MET A 62 0.964 5.419 6.964 1.00 0.00 H new ATOM 0 HG3 MET A 62 2.509 6.000 6.375 1.00 0.00 H new ATOM 0 HE1 MET A 62 2.051 9.231 4.868 1.00 0.00 H new ATOM 0 HE2 MET A 62 3.044 7.882 5.470 1.00 0.00 H new ATOM 0 HE3 MET A 62 2.308 7.794 3.851 1.00 0.00 H new ATOM 967 N ILE A 63 2.675 2.533 3.065 1.00 0.00 N ATOM 968 CA ILE A 63 2.423 1.417 2.109 1.00 0.00 C ATOM 969 C ILE A 63 3.105 0.148 2.630 1.00 0.00 C ATOM 970 O ILE A 63 2.715 -0.954 2.306 1.00 0.00 O ATOM 971 CB ILE A 63 2.987 1.798 0.734 1.00 0.00 C ATOM 972 CG1 ILE A 63 1.984 2.698 0.009 1.00 0.00 C ATOM 973 CG2 ILE A 63 3.232 0.541 -0.102 1.00 0.00 C ATOM 974 CD1 ILE A 63 1.646 3.903 0.888 1.00 0.00 C ATOM 0 H ILE A 63 3.304 3.260 2.726 1.00 0.00 H new ATOM 0 HA ILE A 63 1.353 1.233 2.016 1.00 0.00 H new ATOM 0 HB ILE A 63 3.931 2.325 0.870 1.00 0.00 H new ATOM 0 HG12 ILE A 63 2.401 3.034 -0.940 1.00 0.00 H new ATOM 0 HG13 ILE A 63 1.078 2.138 -0.221 1.00 0.00 H new ATOM 0 HG21 ILE A 63 3.632 0.824 -1.076 1.00 0.00 H new ATOM 0 HG22 ILE A 63 3.946 -0.103 0.411 1.00 0.00 H new ATOM 0 HG23 ILE A 63 2.292 0.005 -0.238 1.00 0.00 H new ATOM 0 HD11 ILE A 63 0.932 4.543 0.370 1.00 0.00 H new ATOM 0 HD12 ILE A 63 1.211 3.558 1.826 1.00 0.00 H new ATOM 0 HD13 ILE A 63 2.555 4.468 1.096 1.00 0.00 H new ATOM 986 N GLU A 64 4.116 0.297 3.436 1.00 0.00 N ATOM 987 CA GLU A 64 4.819 -0.897 3.980 1.00 0.00 C ATOM 988 C GLU A 64 4.067 -1.408 5.211 1.00 0.00 C ATOM 989 O GLU A 64 3.557 -2.510 5.225 1.00 0.00 O ATOM 990 CB GLU A 64 6.245 -0.512 4.376 1.00 0.00 C ATOM 991 CG GLU A 64 6.986 -1.749 4.887 1.00 0.00 C ATOM 992 CD GLU A 64 8.167 -1.315 5.757 1.00 0.00 C ATOM 993 OE1 GLU A 64 7.960 -1.105 6.941 1.00 0.00 O ATOM 994 OE2 GLU A 64 9.259 -1.199 5.225 1.00 0.00 O ATOM 0 H GLU A 64 4.487 1.196 3.743 1.00 0.00 H new ATOM 0 HA GLU A 64 4.853 -1.679 3.222 1.00 0.00 H new ATOM 0 HB2 GLU A 64 6.770 -0.089 3.519 1.00 0.00 H new ATOM 0 HB3 GLU A 64 6.224 0.257 5.148 1.00 0.00 H new ATOM 0 HG2 GLU A 64 6.309 -2.379 5.463 1.00 0.00 H new ATOM 0 HG3 GLU A 64 7.340 -2.346 4.047 1.00 0.00 H new ATOM 1001 N GLY A 65 3.995 -0.614 6.243 1.00 0.00 N ATOM 1002 CA GLY A 65 3.278 -1.053 7.475 1.00 0.00 C ATOM 1003 C GLY A 65 1.855 -1.489 7.117 1.00 0.00 C ATOM 1004 O GLY A 65 1.320 -2.420 7.686 1.00 0.00 O ATOM 0 H GLY A 65 4.402 0.320 6.287 1.00 0.00 H new ATOM 0 HA2 GLY A 65 3.814 -1.878 7.945 1.00 0.00 H new ATOM 0 HA3 GLY A 65 3.248 -0.239 8.199 1.00 0.00 H new ATOM 1008 N THR A 66 1.239 -0.823 6.181 1.00 0.00 N ATOM 1009 CA THR A 66 -0.150 -1.197 5.789 1.00 0.00 C ATOM 1010 C THR A 66 -0.110 -2.413 4.863 1.00 0.00 C ATOM 1011 O THR A 66 -0.945 -3.293 4.941 1.00 0.00 O ATOM 1012 CB THR A 66 -0.811 -0.024 5.057 1.00 0.00 C ATOM 1013 OG1 THR A 66 -0.955 1.076 5.949 1.00 0.00 O ATOM 1014 CG2 THR A 66 -2.187 -0.450 4.546 1.00 0.00 C ATOM 0 H THR A 66 1.637 -0.035 5.670 1.00 0.00 H new ATOM 0 HA THR A 66 -0.724 -1.438 6.684 1.00 0.00 H new ATOM 0 HB THR A 66 -0.187 0.273 4.214 1.00 0.00 H new ATOM 0 HG1 THR A 66 -0.208 1.698 5.825 1.00 0.00 H new ATOM 0 HG21 THR A 66 -2.656 0.385 4.026 1.00 0.00 H new ATOM 0 HG22 THR A 66 -2.076 -1.289 3.860 1.00 0.00 H new ATOM 0 HG23 THR A 66 -2.811 -0.750 5.388 1.00 0.00 H new ATOM 1022 N ALA A 67 0.853 -2.471 3.986 1.00 0.00 N ATOM 1023 CA ALA A 67 0.946 -3.630 3.057 1.00 0.00 C ATOM 1024 C ALA A 67 1.798 -4.727 3.698 1.00 0.00 C ATOM 1025 O ALA A 67 2.419 -5.520 3.020 1.00 0.00 O ATOM 1026 CB ALA A 67 1.590 -3.179 1.744 1.00 0.00 C ATOM 0 H ALA A 67 1.580 -1.765 3.873 1.00 0.00 H new ATOM 0 HA ALA A 67 -0.052 -4.019 2.855 1.00 0.00 H new ATOM 0 HB1 ALA A 67 1.659 -4.027 1.062 1.00 0.00 H new ATOM 0 HB2 ALA A 67 0.981 -2.397 1.290 1.00 0.00 H new ATOM 0 HB3 ALA A 67 2.589 -2.791 1.943 1.00 0.00 H new ATOM 1032 N ARG A 68 1.829 -4.779 5.003 1.00 0.00 N ATOM 1033 CA ARG A 68 2.638 -5.824 5.692 1.00 0.00 C ATOM 1034 C ARG A 68 1.845 -6.380 6.877 1.00 0.00 C ATOM 1035 O ARG A 68 1.830 -7.571 7.121 1.00 0.00 O ATOM 1036 CB ARG A 68 3.942 -5.205 6.200 1.00 0.00 C ATOM 1037 CG ARG A 68 4.998 -5.259 5.095 1.00 0.00 C ATOM 1038 CD ARG A 68 6.248 -5.968 5.618 1.00 0.00 C ATOM 1039 NE ARG A 68 7.176 -4.966 6.209 1.00 0.00 N ATOM 1040 CZ ARG A 68 8.291 -4.671 5.599 1.00 0.00 C ATOM 1041 NH1 ARG A 68 8.375 -4.792 4.303 1.00 0.00 N ATOM 1042 NH2 ARG A 68 9.320 -4.256 6.285 1.00 0.00 N ATOM 0 H ARG A 68 1.328 -4.141 5.622 1.00 0.00 H new ATOM 0 HA ARG A 68 2.865 -6.629 4.993 1.00 0.00 H new ATOM 0 HB2 ARG A 68 3.772 -4.172 6.505 1.00 0.00 H new ATOM 0 HB3 ARG A 68 4.294 -5.743 7.080 1.00 0.00 H new ATOM 0 HG2 ARG A 68 4.604 -5.787 4.226 1.00 0.00 H new ATOM 0 HG3 ARG A 68 5.249 -4.250 4.768 1.00 0.00 H new ATOM 0 HD2 ARG A 68 5.972 -6.710 6.367 1.00 0.00 H new ATOM 0 HD3 ARG A 68 6.742 -6.503 4.807 1.00 0.00 H new ATOM 0 HE ARG A 68 6.941 -4.510 7.091 1.00 0.00 H new ATOM 0 HH11 ARG A 68 7.570 -5.117 3.768 1.00 0.00 H new ATOM 0 HH12 ARG A 68 9.246 -4.562 3.825 1.00 0.00 H new ATOM 0 HH21 ARG A 68 9.253 -4.162 7.298 1.00 0.00 H new ATOM 0 HH22 ARG A 68 10.192 -4.025 5.808 1.00 0.00 H new ATOM 1056 N SER A 69 1.191 -5.528 7.617 1.00 0.00 N ATOM 1057 CA SER A 69 0.403 -6.007 8.787 1.00 0.00 C ATOM 1058 C SER A 69 -0.785 -6.840 8.301 1.00 0.00 C ATOM 1059 O SER A 69 -1.466 -7.479 9.078 1.00 0.00 O ATOM 1060 CB SER A 69 -0.112 -4.806 9.582 1.00 0.00 C ATOM 1061 OG SER A 69 -0.014 -5.086 10.972 1.00 0.00 O ATOM 0 H SER A 69 1.168 -4.520 7.462 1.00 0.00 H new ATOM 0 HA SER A 69 1.040 -6.621 9.424 1.00 0.00 H new ATOM 0 HB2 SER A 69 0.469 -3.917 9.337 1.00 0.00 H new ATOM 0 HB3 SER A 69 -1.147 -4.595 9.314 1.00 0.00 H new ATOM 0 HG SER A 69 -0.342 -4.318 11.484 1.00 0.00 H new ATOM 1067 N MET A 70 -1.040 -6.840 7.022 1.00 0.00 N ATOM 1068 CA MET A 70 -2.185 -7.633 6.492 1.00 0.00 C ATOM 1069 C MET A 70 -1.689 -9.008 6.042 1.00 0.00 C ATOM 1070 O MET A 70 -2.434 -9.966 6.003 1.00 0.00 O ATOM 1071 CB MET A 70 -2.809 -6.899 5.303 1.00 0.00 C ATOM 1072 CG MET A 70 -3.655 -5.731 5.811 1.00 0.00 C ATOM 1073 SD MET A 70 -4.778 -5.184 4.502 1.00 0.00 S ATOM 1074 CE MET A 70 -4.019 -3.566 4.217 1.00 0.00 C ATOM 0 H MET A 70 -0.506 -6.326 6.321 1.00 0.00 H new ATOM 0 HA MET A 70 -2.934 -7.756 7.274 1.00 0.00 H new ATOM 0 HB2 MET A 70 -2.027 -6.533 4.637 1.00 0.00 H new ATOM 0 HB3 MET A 70 -3.427 -7.584 4.723 1.00 0.00 H new ATOM 0 HG2 MET A 70 -4.224 -6.036 6.689 1.00 0.00 H new ATOM 0 HG3 MET A 70 -3.010 -4.908 6.119 1.00 0.00 H new ATOM 0 HE1 MET A 70 -4.669 -2.967 3.579 1.00 0.00 H new ATOM 0 HE2 MET A 70 -3.878 -3.057 5.171 1.00 0.00 H new ATOM 0 HE3 MET A 70 -3.053 -3.698 3.729 1.00 0.00 H new ATOM 1084 N GLY A 71 -0.433 -9.113 5.702 1.00 0.00 N ATOM 1085 CA GLY A 71 0.111 -10.425 5.256 1.00 0.00 C ATOM 1086 C GLY A 71 0.845 -10.250 3.926 1.00 0.00 C ATOM 1087 O GLY A 71 1.539 -11.136 3.467 1.00 0.00 O ATOM 0 H GLY A 71 0.239 -8.346 5.714 1.00 0.00 H new ATOM 0 HA2 GLY A 71 0.791 -10.823 6.009 1.00 0.00 H new ATOM 0 HA3 GLY A 71 -0.698 -11.147 5.144 1.00 0.00 H new ATOM 1091 N ILE A 72 0.700 -9.113 3.302 1.00 0.00 N ATOM 1092 CA ILE A 72 1.390 -8.884 2.001 1.00 0.00 C ATOM 1093 C ILE A 72 2.836 -8.454 2.258 1.00 0.00 C ATOM 1094 O ILE A 72 3.122 -7.736 3.195 1.00 0.00 O ATOM 1095 CB ILE A 72 0.664 -7.785 1.225 1.00 0.00 C ATOM 1096 CG1 ILE A 72 -0.831 -8.103 1.167 1.00 0.00 C ATOM 1097 CG2 ILE A 72 1.224 -7.710 -0.197 1.00 0.00 C ATOM 1098 CD1 ILE A 72 -1.631 -6.885 1.633 1.00 0.00 C ATOM 0 H ILE A 72 0.134 -8.333 3.637 1.00 0.00 H new ATOM 0 HA ILE A 72 1.382 -9.806 1.420 1.00 0.00 H new ATOM 0 HB ILE A 72 0.813 -6.828 1.726 1.00 0.00 H new ATOM 0 HG12 ILE A 72 -1.117 -8.372 0.150 1.00 0.00 H new ATOM 0 HG13 ILE A 72 -1.056 -8.962 1.799 1.00 0.00 H new ATOM 0 HG21 ILE A 72 0.707 -6.927 -0.751 1.00 0.00 H new ATOM 0 HG22 ILE A 72 2.289 -7.483 -0.157 1.00 0.00 H new ATOM 0 HG23 ILE A 72 1.075 -8.667 -0.698 1.00 0.00 H new ATOM 0 HD11 ILE A 72 -2.696 -7.112 1.592 1.00 0.00 H new ATOM 0 HD12 ILE A 72 -1.352 -6.637 2.657 1.00 0.00 H new ATOM 0 HD13 ILE A 72 -1.415 -6.037 0.983 1.00 0.00 H new ATOM 1110 N VAL A 73 3.748 -8.882 1.429 1.00 0.00 N ATOM 1111 CA VAL A 73 5.172 -8.489 1.624 1.00 0.00 C ATOM 1112 C VAL A 73 5.559 -7.464 0.553 1.00 0.00 C ATOM 1113 O VAL A 73 4.755 -7.088 -0.277 1.00 0.00 O ATOM 1114 CB VAL A 73 6.066 -9.738 1.526 1.00 0.00 C ATOM 1115 CG1 VAL A 73 6.491 -9.985 0.074 1.00 0.00 C ATOM 1116 CG2 VAL A 73 7.313 -9.536 2.392 1.00 0.00 C ATOM 0 H VAL A 73 3.569 -9.486 0.627 1.00 0.00 H new ATOM 0 HA VAL A 73 5.307 -8.041 2.609 1.00 0.00 H new ATOM 0 HB VAL A 73 5.502 -10.602 1.877 1.00 0.00 H new ATOM 0 HG11 VAL A 73 7.122 -10.872 0.026 1.00 0.00 H new ATOM 0 HG12 VAL A 73 5.606 -10.136 -0.544 1.00 0.00 H new ATOM 0 HG13 VAL A 73 7.048 -9.123 -0.294 1.00 0.00 H new ATOM 0 HG21 VAL A 73 7.949 -10.419 2.325 1.00 0.00 H new ATOM 0 HG22 VAL A 73 7.864 -8.664 2.039 1.00 0.00 H new ATOM 0 HG23 VAL A 73 7.015 -9.381 3.429 1.00 0.00 H new ATOM 1126 N VAL A 74 6.782 -7.012 0.559 1.00 0.00 N ATOM 1127 CA VAL A 74 7.206 -6.019 -0.465 1.00 0.00 C ATOM 1128 C VAL A 74 8.686 -6.242 -0.803 1.00 0.00 C ATOM 1129 O VAL A 74 9.515 -6.412 0.070 1.00 0.00 O ATOM 1130 CB VAL A 74 6.960 -4.595 0.077 1.00 0.00 C ATOM 1131 CG1 VAL A 74 8.256 -3.973 0.612 1.00 0.00 C ATOM 1132 CG2 VAL A 74 6.407 -3.718 -1.048 1.00 0.00 C ATOM 0 H VAL A 74 7.503 -7.286 1.226 1.00 0.00 H new ATOM 0 HA VAL A 74 6.625 -6.142 -1.379 1.00 0.00 H new ATOM 0 HB VAL A 74 6.245 -4.657 0.897 1.00 0.00 H new ATOM 0 HG11 VAL A 74 8.051 -2.970 0.987 1.00 0.00 H new ATOM 0 HG12 VAL A 74 8.649 -4.589 1.421 1.00 0.00 H new ATOM 0 HG13 VAL A 74 8.991 -3.917 -0.191 1.00 0.00 H new ATOM 0 HG21 VAL A 74 6.231 -2.711 -0.671 1.00 0.00 H new ATOM 0 HG22 VAL A 74 7.126 -3.679 -1.866 1.00 0.00 H new ATOM 0 HG23 VAL A 74 5.469 -4.139 -1.410 1.00 0.00 H new ATOM 1142 N GLU A 75 9.021 -6.248 -2.064 1.00 0.00 N ATOM 1143 CA GLU A 75 10.441 -6.469 -2.457 1.00 0.00 C ATOM 1144 C GLU A 75 11.231 -5.169 -2.290 1.00 0.00 C ATOM 1145 O GLU A 75 10.666 -4.100 -2.168 1.00 0.00 O ATOM 1146 CB GLU A 75 10.501 -6.916 -3.919 1.00 0.00 C ATOM 1147 CG GLU A 75 11.025 -8.352 -3.993 1.00 0.00 C ATOM 1148 CD GLU A 75 11.287 -8.725 -5.453 1.00 0.00 C ATOM 1149 OE1 GLU A 75 11.533 -7.825 -6.239 1.00 0.00 O ATOM 1150 OE2 GLU A 75 11.237 -9.905 -5.760 1.00 0.00 O ATOM 0 H GLU A 75 8.373 -6.109 -2.839 1.00 0.00 H new ATOM 0 HA GLU A 75 10.875 -7.240 -1.820 1.00 0.00 H new ATOM 0 HB2 GLU A 75 9.510 -6.855 -4.370 1.00 0.00 H new ATOM 0 HB3 GLU A 75 11.151 -6.251 -4.487 1.00 0.00 H new ATOM 0 HG2 GLU A 75 11.943 -8.446 -3.412 1.00 0.00 H new ATOM 0 HG3 GLU A 75 10.300 -9.038 -3.556 1.00 0.00 H new ATOM 1157 N ASP A 76 12.533 -5.254 -2.282 1.00 0.00 N ATOM 1158 CA ASP A 76 13.359 -4.024 -2.122 1.00 0.00 C ATOM 1159 C ASP A 76 12.801 -3.182 -0.974 1.00 0.00 C ATOM 1160 O ASP A 76 11.951 -3.683 -0.256 1.00 0.00 O ATOM 1161 CB ASP A 76 13.319 -3.211 -3.419 1.00 0.00 C ATOM 1162 CG ASP A 76 13.721 -4.104 -4.594 1.00 0.00 C ATOM 1163 OD1 ASP A 76 14.206 -5.195 -4.344 1.00 0.00 O ATOM 1164 OD2 ASP A 76 13.537 -3.682 -5.724 1.00 0.00 O ATOM 1165 OXT ASP A 76 13.233 -2.050 -0.831 1.00 0.00 O ATOM 0 H ASP A 76 13.060 -6.122 -2.379 1.00 0.00 H new ATOM 0 HA ASP A 76 14.389 -4.303 -1.900 1.00 0.00 H new ATOM 0 HB2 ASP A 76 12.318 -2.810 -3.579 1.00 0.00 H new ATOM 0 HB3 ASP A 76 13.995 -2.359 -3.348 1.00 0.00 H new