USER MOD reduce.3.24.130724 H: found=0, std=0, add=520, rem=0, adj=10 USER MOD reduce.3.24.130724 removed 521 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 8 MET CE :methyl -110:sc= -0.629 (180deg=-3.78!) USER MOD Single : A 9 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 11 THR OG1 : rot 180:sc= 0 USER MOD Single : A 14 THR OG1 : rot 180:sc= -0.0407 USER MOD Single : A 18 LYS NZ :NH3+ -164:sc= 0 (180deg=-0.0538) USER MOD Single : A 19 LYS NZ :NH3+ -167:sc= -0.0462 (180deg=-0.226) USER MOD Single : A 23 SER OG : rot 180:sc= 0 USER MOD Single : A 30 LYS NZ :NH3+ 142:sc= 0.962 (180deg=-0.198) USER MOD Single : A 42 THR OG1 : rot -35:sc= 0.48 USER MOD Single : A 46 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 47 LYS NZ :NH3+ -131:sc= -0.403 (180deg=-5.46!) USER MOD Single : A 48 ASN :FLIP amide:sc= -0.0648 F(o=-1.4,f=-0.065) USER MOD Single : A 50 GLN : amide:sc= -0.0298 K(o=-0.03,f=-0.61) USER MOD ----------------------------------------------------------------- ATOM 36 N ILE A 6 10.236 15.064 2.871 1.00 0.00 N ATOM 37 CA ILE A 6 9.192 14.788 1.902 1.00 0.00 C ATOM 38 C ILE A 6 9.353 13.380 1.344 1.00 0.00 C ATOM 39 O ILE A 6 10.437 12.992 0.897 1.00 0.00 O ATOM 40 CB ILE A 6 9.179 15.816 0.746 1.00 0.00 C ATOM 41 CG1 ILE A 6 10.566 15.936 0.103 1.00 0.00 C ATOM 42 CG2 ILE A 6 8.699 17.167 1.253 1.00 0.00 C ATOM 43 CD1 ILE A 6 10.605 16.879 -1.081 1.00 0.00 C ATOM 0 HA ILE A 6 8.238 14.869 2.423 1.00 0.00 H new ATOM 0 HB ILE A 6 8.487 15.466 -0.020 1.00 0.00 H new ATOM 0 HG12 ILE A 6 11.277 16.280 0.854 1.00 0.00 H new ATOM 0 HG13 ILE A 6 10.895 14.948 -0.219 1.00 0.00 H new ATOM 0 HG21 ILE A 6 8.694 17.883 0.431 1.00 0.00 H new ATOM 0 HG22 ILE A 6 7.690 17.068 1.654 1.00 0.00 H new ATOM 0 HG23 ILE A 6 9.368 17.520 2.038 1.00 0.00 H new ATOM 0 HD11 ILE A 6 11.617 16.914 -1.485 1.00 0.00 H new ATOM 0 HD12 ILE A 6 9.919 16.525 -1.851 1.00 0.00 H new ATOM 0 HD13 ILE A 6 10.307 17.877 -0.761 1.00 0.00 H new ATOM 55 N GLY A 7 8.283 12.609 1.401 1.00 0.00 N ATOM 56 CA GLY A 7 8.329 11.246 0.924 1.00 0.00 C ATOM 57 C GLY A 7 8.005 10.262 2.022 1.00 0.00 C ATOM 58 O GLY A 7 7.770 10.658 3.163 1.00 0.00 O ATOM 0 H GLY A 7 7.379 12.903 1.771 1.00 0.00 H new ATOM 0 HA2 GLY A 7 7.622 11.123 0.104 1.00 0.00 H new ATOM 0 HA3 GLY A 7 9.321 11.033 0.525 1.00 0.00 H new ATOM 62 N MET A 8 7.990 8.980 1.688 1.00 0.00 N ATOM 63 CA MET A 8 7.621 7.958 2.652 1.00 0.00 C ATOM 64 C MET A 8 8.511 6.736 2.505 1.00 0.00 C ATOM 65 O MET A 8 8.862 6.341 1.389 1.00 0.00 O ATOM 66 CB MET A 8 6.162 7.510 2.474 1.00 0.00 C ATOM 67 CG MET A 8 5.167 8.634 2.222 1.00 0.00 C ATOM 68 SD MET A 8 5.154 9.199 0.504 1.00 0.00 S ATOM 69 CE MET A 8 4.744 7.682 -0.360 1.00 0.00 C ATOM 0 H MET A 8 8.228 8.626 0.762 1.00 0.00 H new ATOM 0 HA MET A 8 7.745 8.401 3.640 1.00 0.00 H new ATOM 0 HB2 MET A 8 6.113 6.809 1.641 1.00 0.00 H new ATOM 0 HB3 MET A 8 5.854 6.966 3.367 1.00 0.00 H new ATOM 0 HG2 MET A 8 4.168 8.294 2.494 1.00 0.00 H new ATOM 0 HG3 MET A 8 5.406 9.475 2.873 1.00 0.00 H new ATOM 0 HE1 MET A 8 5.613 7.335 -0.918 1.00 0.00 H new ATOM 0 HE2 MET A 8 4.449 6.921 0.362 1.00 0.00 H new ATOM 0 HE3 MET A 8 3.920 7.867 -1.050 1.00 0.00 H new ATOM 79 N LYS A 9 8.883 6.155 3.629 1.00 0.00 N ATOM 80 CA LYS A 9 9.530 4.856 3.643 1.00 0.00 C ATOM 81 C LYS A 9 8.574 3.849 4.267 1.00 0.00 C ATOM 82 O LYS A 9 8.277 3.920 5.463 1.00 0.00 O ATOM 83 CB LYS A 9 10.847 4.906 4.424 1.00 0.00 C ATOM 84 CG LYS A 9 11.617 3.595 4.400 1.00 0.00 C ATOM 85 CD LYS A 9 12.901 3.681 5.211 1.00 0.00 C ATOM 86 CE LYS A 9 12.621 3.900 6.690 1.00 0.00 C ATOM 87 NZ LYS A 9 13.874 4.018 7.481 1.00 0.00 N ATOM 0 H LYS A 9 8.747 6.566 4.553 1.00 0.00 H new ATOM 0 HA LYS A 9 9.770 4.557 2.623 1.00 0.00 H new ATOM 0 HB2 LYS A 9 11.475 5.695 4.011 1.00 0.00 H new ATOM 0 HB3 LYS A 9 10.636 5.176 5.459 1.00 0.00 H new ATOM 0 HG2 LYS A 9 10.989 2.797 4.796 1.00 0.00 H new ATOM 0 HG3 LYS A 9 11.855 3.331 3.369 1.00 0.00 H new ATOM 0 HD2 LYS A 9 13.475 2.763 5.082 1.00 0.00 H new ATOM 0 HD3 LYS A 9 13.516 4.498 4.833 1.00 0.00 H new ATOM 0 HE2 LYS A 9 12.026 4.804 6.817 1.00 0.00 H new ATOM 0 HE3 LYS A 9 12.027 3.071 7.073 1.00 0.00 H new ATOM 0 HZ1 LYS A 9 13.639 4.166 8.483 1.00 0.00 H new ATOM 0 HZ2 LYS A 9 14.431 3.145 7.381 1.00 0.00 H new ATOM 0 HZ3 LYS A 9 14.430 4.825 7.133 1.00 0.00 H new ATOM 101 N PHE A 10 8.081 2.930 3.459 1.00 0.00 N ATOM 102 CA PHE A 10 7.045 2.009 3.896 1.00 0.00 C ATOM 103 C PHE A 10 7.378 0.587 3.474 1.00 0.00 C ATOM 104 O PHE A 10 8.290 0.361 2.685 1.00 0.00 O ATOM 105 CB PHE A 10 5.683 2.432 3.324 1.00 0.00 C ATOM 106 CG PHE A 10 5.642 2.536 1.823 1.00 0.00 C ATOM 107 CD1 PHE A 10 5.973 3.722 1.186 1.00 0.00 C ATOM 108 CD2 PHE A 10 5.266 1.448 1.050 1.00 0.00 C ATOM 109 CE1 PHE A 10 5.929 3.823 -0.191 1.00 0.00 C ATOM 110 CE2 PHE A 10 5.224 1.542 -0.328 1.00 0.00 C ATOM 111 CZ PHE A 10 5.556 2.732 -0.949 1.00 0.00 C ATOM 0 H PHE A 10 8.381 2.800 2.493 1.00 0.00 H new ATOM 0 HA PHE A 10 6.993 2.039 4.984 1.00 0.00 H new ATOM 0 HB2 PHE A 10 4.929 1.714 3.647 1.00 0.00 H new ATOM 0 HB3 PHE A 10 5.408 3.397 3.750 1.00 0.00 H new ATOM 0 HD1 PHE A 10 6.269 4.578 1.774 1.00 0.00 H new ATOM 0 HD2 PHE A 10 5.003 0.517 1.530 1.00 0.00 H new ATOM 0 HE1 PHE A 10 6.186 4.754 -0.673 1.00 0.00 H new ATOM 0 HE2 PHE A 10 4.932 0.687 -0.919 1.00 0.00 H new ATOM 0 HZ PHE A 10 5.523 2.807 -2.026 1.00 0.00 H new ATOM 121 N THR A 11 6.656 -0.374 4.017 1.00 0.00 N ATOM 122 CA THR A 11 6.847 -1.762 3.637 1.00 0.00 C ATOM 123 C THR A 11 5.520 -2.372 3.210 1.00 0.00 C ATOM 124 O THR A 11 4.548 -2.344 3.963 1.00 0.00 O ATOM 125 CB THR A 11 7.447 -2.580 4.797 1.00 0.00 C ATOM 126 OG1 THR A 11 8.614 -1.919 5.298 1.00 0.00 O ATOM 127 CG2 THR A 11 7.815 -3.987 4.347 1.00 0.00 C ATOM 0 H THR A 11 5.934 -0.221 4.721 1.00 0.00 H new ATOM 0 HA THR A 11 7.546 -1.790 2.801 1.00 0.00 H new ATOM 0 HB THR A 11 6.696 -2.657 5.583 1.00 0.00 H new ATOM 0 HG1 THR A 11 8.993 -2.440 6.037 1.00 0.00 H new ATOM 0 HG21 THR A 11 8.236 -4.539 5.187 1.00 0.00 H new ATOM 0 HG22 THR A 11 6.923 -4.499 3.987 1.00 0.00 H new ATOM 0 HG23 THR A 11 8.551 -3.932 3.545 1.00 0.00 H new ATOM 135 N VAL A 12 5.476 -2.897 1.995 1.00 0.00 N ATOM 136 CA VAL A 12 4.270 -3.518 1.483 1.00 0.00 C ATOM 137 C VAL A 12 4.418 -5.035 1.482 1.00 0.00 C ATOM 138 O VAL A 12 5.366 -5.584 0.923 1.00 0.00 O ATOM 139 CB VAL A 12 3.912 -3.007 0.062 1.00 0.00 C ATOM 140 CG1 VAL A 12 5.055 -3.234 -0.917 1.00 0.00 C ATOM 141 CG2 VAL A 12 2.635 -3.664 -0.443 1.00 0.00 C ATOM 0 H VAL A 12 6.264 -2.904 1.347 1.00 0.00 H new ATOM 0 HA VAL A 12 3.450 -3.239 2.144 1.00 0.00 H new ATOM 0 HB VAL A 12 3.743 -1.932 0.132 1.00 0.00 H new ATOM 0 HG11 VAL A 12 4.769 -2.864 -1.902 1.00 0.00 H new ATOM 0 HG12 VAL A 12 5.941 -2.701 -0.572 1.00 0.00 H new ATOM 0 HG13 VAL A 12 5.274 -4.300 -0.979 1.00 0.00 H new ATOM 0 HG21 VAL A 12 2.404 -3.291 -1.441 1.00 0.00 H new ATOM 0 HG22 VAL A 12 2.773 -4.745 -0.483 1.00 0.00 H new ATOM 0 HG23 VAL A 12 1.813 -3.428 0.232 1.00 0.00 H new ATOM 151 N ILE A 13 3.497 -5.709 2.145 1.00 0.00 N ATOM 152 CA ILE A 13 3.524 -7.156 2.202 1.00 0.00 C ATOM 153 C ILE A 13 2.412 -7.730 1.332 1.00 0.00 C ATOM 154 O ILE A 13 1.263 -7.285 1.389 1.00 0.00 O ATOM 155 CB ILE A 13 3.429 -7.671 3.669 1.00 0.00 C ATOM 156 CG1 ILE A 13 3.505 -9.212 3.748 1.00 0.00 C ATOM 157 CG2 ILE A 13 2.169 -7.158 4.349 1.00 0.00 C ATOM 158 CD1 ILE A 13 2.184 -9.929 3.534 1.00 0.00 C ATOM 0 H ILE A 13 2.723 -5.278 2.650 1.00 0.00 H new ATOM 0 HA ILE A 13 4.481 -7.501 1.810 1.00 0.00 H new ATOM 0 HB ILE A 13 4.293 -7.275 4.202 1.00 0.00 H new ATOM 0 HG12 ILE A 13 4.218 -9.565 3.003 1.00 0.00 H new ATOM 0 HG13 ILE A 13 3.900 -9.492 4.725 1.00 0.00 H new ATOM 0 HG21 ILE A 13 2.129 -7.533 5.372 1.00 0.00 H new ATOM 0 HG22 ILE A 13 2.181 -6.068 4.363 1.00 0.00 H new ATOM 0 HG23 ILE A 13 1.293 -7.505 3.801 1.00 0.00 H new ATOM 0 HD11 ILE A 13 2.338 -11.006 3.608 1.00 0.00 H new ATOM 0 HD12 ILE A 13 1.470 -9.612 4.294 1.00 0.00 H new ATOM 0 HD13 ILE A 13 1.794 -9.685 2.546 1.00 0.00 H new ATOM 170 N THR A 14 2.777 -8.680 0.489 1.00 0.00 N ATOM 171 CA THR A 14 1.825 -9.362 -0.371 1.00 0.00 C ATOM 172 C THR A 14 2.267 -10.815 -0.553 1.00 0.00 C ATOM 173 O THR A 14 3.060 -11.327 0.243 1.00 0.00 O ATOM 174 CB THR A 14 1.727 -8.670 -1.750 1.00 0.00 C ATOM 175 OG1 THR A 14 2.138 -7.301 -1.637 1.00 0.00 O ATOM 176 CG2 THR A 14 0.299 -8.707 -2.281 1.00 0.00 C ATOM 0 H THR A 14 3.739 -9.000 0.381 1.00 0.00 H new ATOM 0 HA THR A 14 0.841 -9.325 0.097 1.00 0.00 H new ATOM 0 HB THR A 14 2.378 -9.206 -2.441 1.00 0.00 H new ATOM 0 HG1 THR A 14 2.076 -6.867 -2.514 1.00 0.00 H new ATOM 0 HG21 THR A 14 0.259 -8.213 -3.252 1.00 0.00 H new ATOM 0 HG22 THR A 14 -0.023 -9.743 -2.387 1.00 0.00 H new ATOM 0 HG23 THR A 14 -0.362 -8.191 -1.584 1.00 0.00 H new ATOM 184 N ASP A 15 1.769 -11.471 -1.596 1.00 0.00 N ATOM 185 CA ASP A 15 2.124 -12.858 -1.897 1.00 0.00 C ATOM 186 C ASP A 15 3.626 -13.015 -2.108 1.00 0.00 C ATOM 187 O ASP A 15 4.184 -14.089 -1.897 1.00 0.00 O ATOM 188 CB ASP A 15 1.387 -13.331 -3.153 1.00 0.00 C ATOM 189 CG ASP A 15 -0.113 -13.423 -2.960 1.00 0.00 C ATOM 190 OD1 ASP A 15 -0.742 -12.397 -2.622 1.00 0.00 O ATOM 191 OD2 ASP A 15 -0.674 -14.517 -3.167 1.00 0.00 O ATOM 0 H ASP A 15 1.109 -11.060 -2.256 1.00 0.00 H new ATOM 0 HA ASP A 15 1.828 -13.466 -1.043 1.00 0.00 H new ATOM 0 HB2 ASP A 15 1.601 -12.645 -3.973 1.00 0.00 H new ATOM 0 HB3 ASP A 15 1.771 -14.308 -3.446 1.00 0.00 H new ATOM 196 N ASP A 16 4.277 -11.934 -2.519 1.00 0.00 N ATOM 197 CA ASP A 16 5.706 -11.964 -2.816 1.00 0.00 C ATOM 198 C ASP A 16 6.541 -11.658 -1.578 1.00 0.00 C ATOM 199 O ASP A 16 7.752 -11.456 -1.671 1.00 0.00 O ATOM 200 CB ASP A 16 6.039 -10.963 -3.922 1.00 0.00 C ATOM 201 CG ASP A 16 5.302 -11.263 -5.210 1.00 0.00 C ATOM 202 OD1 ASP A 16 5.831 -12.035 -6.039 1.00 0.00 O ATOM 203 OD2 ASP A 16 4.187 -10.741 -5.395 1.00 0.00 O ATOM 0 H ASP A 16 3.838 -11.023 -2.655 1.00 0.00 H new ATOM 0 HA ASP A 16 5.951 -12.972 -3.152 1.00 0.00 H new ATOM 0 HB2 ASP A 16 5.786 -9.957 -3.587 1.00 0.00 H new ATOM 0 HB3 ASP A 16 7.113 -10.976 -4.109 1.00 0.00 H new ATOM 208 N GLY A 17 5.895 -11.626 -0.424 1.00 0.00 N ATOM 209 CA GLY A 17 6.609 -11.399 0.814 1.00 0.00 C ATOM 210 C GLY A 17 6.469 -9.978 1.309 1.00 0.00 C ATOM 211 O GLY A 17 5.513 -9.284 0.962 1.00 0.00 O ATOM 0 H GLY A 17 4.888 -11.753 -0.322 1.00 0.00 H new ATOM 0 HA2 GLY A 17 6.237 -12.084 1.576 1.00 0.00 H new ATOM 0 HA3 GLY A 17 7.665 -11.627 0.668 1.00 0.00 H new ATOM 215 N LYS A 18 7.423 -9.544 2.119 1.00 0.00 N ATOM 216 CA LYS A 18 7.397 -8.206 2.692 1.00 0.00 C ATOM 217 C LYS A 18 8.424 -7.328 1.990 1.00 0.00 C ATOM 218 O LYS A 18 9.622 -7.444 2.247 1.00 0.00 O ATOM 219 CB LYS A 18 7.715 -8.260 4.191 1.00 0.00 C ATOM 220 CG LYS A 18 6.881 -9.263 4.972 1.00 0.00 C ATOM 221 CD LYS A 18 7.378 -9.380 6.405 1.00 0.00 C ATOM 222 CE LYS A 18 6.663 -10.477 7.180 1.00 0.00 C ATOM 223 NZ LYS A 18 5.244 -10.135 7.463 1.00 0.00 N ATOM 0 H LYS A 18 8.230 -10.103 2.396 1.00 0.00 H new ATOM 0 HA LYS A 18 6.400 -7.787 2.556 1.00 0.00 H new ATOM 0 HB2 LYS A 18 8.770 -8.505 4.318 1.00 0.00 H new ATOM 0 HB3 LYS A 18 7.564 -7.269 4.618 1.00 0.00 H new ATOM 0 HG2 LYS A 18 5.836 -8.954 4.969 1.00 0.00 H new ATOM 0 HG3 LYS A 18 6.927 -10.238 4.486 1.00 0.00 H new ATOM 0 HD2 LYS A 18 8.449 -9.582 6.400 1.00 0.00 H new ATOM 0 HD3 LYS A 18 7.236 -8.427 6.915 1.00 0.00 H new ATOM 0 HE2 LYS A 18 6.704 -11.406 6.612 1.00 0.00 H new ATOM 0 HE3 LYS A 18 7.186 -10.655 8.120 1.00 0.00 H new ATOM 0 HZ1 LYS A 18 4.877 -10.763 8.207 1.00 0.00 H new ATOM 0 HZ2 LYS A 18 5.182 -9.147 7.782 1.00 0.00 H new ATOM 0 HZ3 LYS A 18 4.679 -10.256 6.598 1.00 0.00 H new ATOM 237 N LYS A 19 7.965 -6.456 1.106 1.00 0.00 N ATOM 238 CA LYS A 19 8.873 -5.637 0.316 1.00 0.00 C ATOM 239 C LYS A 19 8.866 -4.189 0.797 1.00 0.00 C ATOM 240 O LYS A 19 7.850 -3.500 0.711 1.00 0.00 O ATOM 241 CB LYS A 19 8.487 -5.695 -1.164 1.00 0.00 C ATOM 242 CG LYS A 19 9.551 -5.128 -2.090 1.00 0.00 C ATOM 243 CD LYS A 19 10.841 -5.923 -1.992 1.00 0.00 C ATOM 244 CE LYS A 19 11.912 -5.393 -2.930 1.00 0.00 C ATOM 245 NZ LYS A 19 11.486 -5.441 -4.354 1.00 0.00 N ATOM 0 H LYS A 19 6.975 -6.297 0.918 1.00 0.00 H new ATOM 0 HA LYS A 19 9.880 -6.036 0.441 1.00 0.00 H new ATOM 0 HB2 LYS A 19 8.291 -6.731 -1.440 1.00 0.00 H new ATOM 0 HB3 LYS A 19 7.558 -5.145 -1.311 1.00 0.00 H new ATOM 0 HG2 LYS A 19 9.188 -5.143 -3.118 1.00 0.00 H new ATOM 0 HG3 LYS A 19 9.742 -4.086 -1.834 1.00 0.00 H new ATOM 0 HD2 LYS A 19 11.209 -5.890 -0.967 1.00 0.00 H new ATOM 0 HD3 LYS A 19 10.640 -6.969 -2.225 1.00 0.00 H new ATOM 0 HE2 LYS A 19 12.153 -4.365 -2.659 1.00 0.00 H new ATOM 0 HE3 LYS A 19 12.823 -5.978 -2.805 1.00 0.00 H new ATOM 0 HZ1 LYS A 19 12.310 -5.283 -4.968 1.00 0.00 H new ATOM 0 HZ2 LYS A 19 11.073 -6.373 -4.562 1.00 0.00 H new ATOM 0 HZ3 LYS A 19 10.776 -4.701 -4.529 1.00 0.00 H new ATOM 259 N ILE A 20 9.997 -3.737 1.313 1.00 0.00 N ATOM 260 CA ILE A 20 10.131 -2.355 1.741 1.00 0.00 C ATOM 261 C ILE A 20 10.356 -1.461 0.518 1.00 0.00 C ATOM 262 O ILE A 20 11.207 -1.744 -0.329 1.00 0.00 O ATOM 263 CB ILE A 20 11.275 -2.200 2.789 1.00 0.00 C ATOM 264 CG1 ILE A 20 11.284 -0.797 3.433 1.00 0.00 C ATOM 265 CG2 ILE A 20 12.631 -2.521 2.173 1.00 0.00 C ATOM 266 CD1 ILE A 20 11.919 0.297 2.592 1.00 0.00 C ATOM 0 H ILE A 20 10.834 -4.305 1.445 1.00 0.00 H new ATOM 0 HA ILE A 20 9.210 -2.042 2.233 1.00 0.00 H new ATOM 0 HB ILE A 20 11.080 -2.921 3.583 1.00 0.00 H new ATOM 0 HG12 ILE A 20 10.256 -0.511 3.657 1.00 0.00 H new ATOM 0 HG13 ILE A 20 11.813 -0.855 4.384 1.00 0.00 H new ATOM 0 HG21 ILE A 20 13.410 -2.405 2.927 1.00 0.00 H new ATOM 0 HG22 ILE A 20 12.631 -3.548 1.807 1.00 0.00 H new ATOM 0 HG23 ILE A 20 12.824 -1.841 1.344 1.00 0.00 H new ATOM 0 HD11 ILE A 20 11.875 1.243 3.132 1.00 0.00 H new ATOM 0 HD12 ILE A 20 12.959 0.042 2.389 1.00 0.00 H new ATOM 0 HD13 ILE A 20 11.379 0.392 1.650 1.00 0.00 H new ATOM 278 N LEU A 21 9.557 -0.412 0.412 1.00 0.00 N ATOM 279 CA LEU A 21 9.651 0.526 -0.696 1.00 0.00 C ATOM 280 C LEU A 21 9.668 1.951 -0.164 1.00 0.00 C ATOM 281 O LEU A 21 8.937 2.286 0.771 1.00 0.00 O ATOM 282 CB LEU A 21 8.471 0.344 -1.658 1.00 0.00 C ATOM 283 CG LEU A 21 8.404 -1.012 -2.366 1.00 0.00 C ATOM 284 CD1 LEU A 21 7.146 -1.110 -3.215 1.00 0.00 C ATOM 285 CD2 LEU A 21 9.639 -1.223 -3.228 1.00 0.00 C ATOM 0 H LEU A 21 8.828 -0.187 1.088 1.00 0.00 H new ATOM 0 HA LEU A 21 10.575 0.331 -1.240 1.00 0.00 H new ATOM 0 HB2 LEU A 21 7.545 0.491 -1.102 1.00 0.00 H new ATOM 0 HB3 LEU A 21 8.516 1.128 -2.414 1.00 0.00 H new ATOM 0 HG LEU A 21 8.371 -1.794 -1.607 1.00 0.00 H new ATOM 0 HD11 LEU A 21 7.116 -2.080 -3.710 1.00 0.00 H new ATOM 0 HD12 LEU A 21 6.268 -1.000 -2.578 1.00 0.00 H new ATOM 0 HD13 LEU A 21 7.151 -0.320 -3.966 1.00 0.00 H new ATOM 0 HD21 LEU A 21 9.575 -2.191 -3.724 1.00 0.00 H new ATOM 0 HD22 LEU A 21 9.698 -0.434 -3.978 1.00 0.00 H new ATOM 0 HD23 LEU A 21 10.530 -1.195 -2.601 1.00 0.00 H new ATOM 297 N GLU A 22 10.503 2.788 -0.745 1.00 0.00 N ATOM 298 CA GLU A 22 10.595 4.173 -0.323 1.00 0.00 C ATOM 299 C GLU A 22 10.465 5.106 -1.517 1.00 0.00 C ATOM 300 O GLU A 22 10.884 4.778 -2.627 1.00 0.00 O ATOM 301 CB GLU A 22 11.909 4.428 0.420 1.00 0.00 C ATOM 302 CG GLU A 22 13.148 4.061 -0.376 1.00 0.00 C ATOM 303 CD GLU A 22 14.424 4.383 0.366 1.00 0.00 C ATOM 304 OE1 GLU A 22 14.809 3.601 1.258 1.00 0.00 O ATOM 305 OE2 GLU A 22 15.048 5.423 0.062 1.00 0.00 O ATOM 0 H GLU A 22 11.128 2.535 -1.510 1.00 0.00 H new ATOM 0 HA GLU A 22 9.772 4.376 0.362 1.00 0.00 H new ATOM 0 HB2 GLU A 22 11.963 5.482 0.691 1.00 0.00 H new ATOM 0 HB3 GLU A 22 11.905 3.859 1.350 1.00 0.00 H new ATOM 0 HG2 GLU A 22 13.125 2.996 -0.609 1.00 0.00 H new ATOM 0 HG3 GLU A 22 13.138 4.596 -1.326 1.00 0.00 H new ATOM 312 N SER A 23 9.856 6.255 -1.290 1.00 0.00 N ATOM 313 CA SER A 23 9.693 7.257 -2.328 1.00 0.00 C ATOM 314 C SER A 23 10.034 8.635 -1.776 1.00 0.00 C ATOM 315 O SER A 23 9.639 8.979 -0.660 1.00 0.00 O ATOM 316 CB SER A 23 8.259 7.231 -2.861 1.00 0.00 C ATOM 317 OG SER A 23 7.922 5.932 -3.330 1.00 0.00 O ATOM 0 H SER A 23 9.462 6.519 -0.387 1.00 0.00 H new ATOM 0 HA SER A 23 10.372 7.034 -3.151 1.00 0.00 H new ATOM 0 HB2 SER A 23 7.567 7.530 -2.073 1.00 0.00 H new ATOM 0 HB3 SER A 23 8.153 7.954 -3.670 1.00 0.00 H new ATOM 0 HG SER A 23 7.001 5.934 -3.666 1.00 0.00 H new ATOM 323 N GLY A 24 10.778 9.414 -2.550 1.00 0.00 N ATOM 324 CA GLY A 24 11.169 10.743 -2.115 1.00 0.00 C ATOM 325 C GLY A 24 10.129 11.794 -2.453 1.00 0.00 C ATOM 326 O GLY A 24 10.426 12.988 -2.477 1.00 0.00 O ATOM 0 H GLY A 24 11.119 9.149 -3.474 1.00 0.00 H new ATOM 0 HA2 GLY A 24 11.336 10.735 -1.038 1.00 0.00 H new ATOM 0 HA3 GLY A 24 12.117 11.011 -2.582 1.00 0.00 H new ATOM 330 N ALA A 25 8.918 11.344 -2.730 1.00 0.00 N ATOM 331 CA ALA A 25 7.819 12.236 -3.047 1.00 0.00 C ATOM 332 C ALA A 25 6.546 11.762 -2.362 1.00 0.00 C ATOM 333 O ALA A 25 6.220 10.576 -2.417 1.00 0.00 O ATOM 334 CB ALA A 25 7.616 12.312 -4.552 1.00 0.00 C ATOM 0 H ALA A 25 8.670 10.355 -2.741 1.00 0.00 H new ATOM 0 HA ALA A 25 8.061 13.234 -2.682 1.00 0.00 H new ATOM 0 HB1 ALA A 25 6.788 12.985 -4.774 1.00 0.00 H new ATOM 0 HB2 ALA A 25 8.525 12.687 -5.023 1.00 0.00 H new ATOM 0 HB3 ALA A 25 7.390 11.319 -4.939 1.00 0.00 H new ATOM 340 N PRO A 26 5.832 12.672 -1.685 1.00 0.00 N ATOM 341 CA PRO A 26 4.558 12.353 -1.031 1.00 0.00 C ATOM 342 C PRO A 26 3.508 11.912 -2.041 1.00 0.00 C ATOM 343 O PRO A 26 3.069 12.705 -2.879 1.00 0.00 O ATOM 344 CB PRO A 26 4.144 13.673 -0.368 1.00 0.00 C ATOM 345 CG PRO A 26 5.392 14.487 -0.302 1.00 0.00 C ATOM 346 CD PRO A 26 6.209 14.081 -1.494 1.00 0.00 C ATOM 0 HA PRO A 26 4.653 11.529 -0.323 1.00 0.00 H new ATOM 0 HB2 PRO A 26 3.373 14.180 -0.949 1.00 0.00 H new ATOM 0 HB3 PRO A 26 3.733 13.502 0.627 1.00 0.00 H new ATOM 0 HG2 PRO A 26 5.165 15.553 -0.328 1.00 0.00 H new ATOM 0 HG3 PRO A 26 5.933 14.299 0.625 1.00 0.00 H new ATOM 0 HD2 PRO A 26 5.973 14.685 -2.370 1.00 0.00 H new ATOM 0 HD3 PRO A 26 7.277 14.192 -1.309 1.00 0.00 H new ATOM 354 N ARG A 27 3.121 10.644 -1.972 1.00 0.00 N ATOM 355 CA ARG A 27 2.186 10.079 -2.934 1.00 0.00 C ATOM 356 C ARG A 27 1.091 9.287 -2.231 1.00 0.00 C ATOM 357 O ARG A 27 1.289 8.765 -1.131 1.00 0.00 O ATOM 358 CB ARG A 27 2.923 9.185 -3.938 1.00 0.00 C ATOM 359 CG ARG A 27 3.986 9.928 -4.726 1.00 0.00 C ATOM 360 CD ARG A 27 4.816 8.995 -5.586 1.00 0.00 C ATOM 361 NE ARG A 27 4.094 8.511 -6.759 1.00 0.00 N ATOM 362 CZ ARG A 27 4.687 7.954 -7.812 1.00 0.00 C ATOM 363 NH1 ARG A 27 6.004 7.791 -7.838 1.00 0.00 N ATOM 364 NH2 ARG A 27 3.955 7.568 -8.847 1.00 0.00 N ATOM 0 H ARG A 27 3.441 9.988 -1.259 1.00 0.00 H new ATOM 0 HA ARG A 27 1.720 10.904 -3.473 1.00 0.00 H new ATOM 0 HB2 ARG A 27 3.387 8.356 -3.405 1.00 0.00 H new ATOM 0 HB3 ARG A 27 2.200 8.754 -4.631 1.00 0.00 H new ATOM 0 HG2 ARG A 27 3.510 10.677 -5.359 1.00 0.00 H new ATOM 0 HG3 ARG A 27 4.640 10.463 -4.037 1.00 0.00 H new ATOM 0 HD2 ARG A 27 5.718 9.514 -5.909 1.00 0.00 H new ATOM 0 HD3 ARG A 27 5.136 8.143 -4.985 1.00 0.00 H new ATOM 0 HE ARG A 27 3.078 8.605 -6.772 1.00 0.00 H new ATOM 0 HH11 ARG A 27 6.571 8.094 -7.046 1.00 0.00 H new ATOM 0 HH12 ARG A 27 6.449 7.363 -8.650 1.00 0.00 H new ATOM 0 HH21 ARG A 27 2.943 7.699 -8.833 1.00 0.00 H new ATOM 0 HH22 ARG A 27 4.403 7.140 -9.657 1.00 0.00 H new ATOM 378 N ARG A 28 -0.057 9.207 -2.878 1.00 0.00 N ATOM 379 CA ARG A 28 -1.217 8.516 -2.338 1.00 0.00 C ATOM 380 C ARG A 28 -1.125 7.018 -2.624 1.00 0.00 C ATOM 381 O ARG A 28 -0.319 6.594 -3.456 1.00 0.00 O ATOM 382 CB ARG A 28 -2.473 9.118 -2.974 1.00 0.00 C ATOM 383 CG ARG A 28 -3.778 8.650 -2.368 1.00 0.00 C ATOM 384 CD ARG A 28 -4.859 9.692 -2.560 1.00 0.00 C ATOM 385 NE ARG A 28 -4.479 10.961 -1.949 1.00 0.00 N ATOM 386 CZ ARG A 28 -5.151 12.096 -2.097 1.00 0.00 C ATOM 387 NH1 ARG A 28 -6.274 12.130 -2.806 1.00 0.00 N ATOM 388 NH2 ARG A 28 -4.699 13.198 -1.512 1.00 0.00 N ATOM 0 H ARG A 28 -0.213 9.621 -3.797 1.00 0.00 H new ATOM 0 HA ARG A 28 -1.259 8.641 -1.256 1.00 0.00 H new ATOM 0 HB2 ARG A 28 -2.420 10.204 -2.893 1.00 0.00 H new ATOM 0 HB3 ARG A 28 -2.476 8.878 -4.037 1.00 0.00 H new ATOM 0 HG2 ARG A 28 -4.084 7.712 -2.830 1.00 0.00 H new ATOM 0 HG3 ARG A 28 -3.641 8.452 -1.305 1.00 0.00 H new ATOM 0 HD2 ARG A 28 -5.043 9.838 -3.624 1.00 0.00 H new ATOM 0 HD3 ARG A 28 -5.792 9.338 -2.121 1.00 0.00 H new ATOM 0 HE ARG A 28 -3.640 10.977 -1.369 1.00 0.00 H new ATOM 0 HH11 ARG A 28 -6.627 11.279 -3.243 1.00 0.00 H new ATOM 0 HH12 ARG A 28 -6.783 13.007 -2.914 1.00 0.00 H new ATOM 0 HH21 ARG A 28 -3.844 13.167 -0.956 1.00 0.00 H new ATOM 0 HH22 ARG A 28 -5.206 14.077 -1.618 1.00 0.00 H new ATOM 402 N ILE A 29 -1.941 6.220 -1.930 1.00 0.00 N ATOM 403 CA ILE A 29 -1.992 4.778 -2.166 1.00 0.00 C ATOM 404 C ILE A 29 -2.193 4.491 -3.650 1.00 0.00 C ATOM 405 O ILE A 29 -1.455 3.710 -4.243 1.00 0.00 O ATOM 406 CB ILE A 29 -3.134 4.103 -1.360 1.00 0.00 C ATOM 407 CG1 ILE A 29 -2.865 4.181 0.147 1.00 0.00 C ATOM 408 CG2 ILE A 29 -3.320 2.650 -1.788 1.00 0.00 C ATOM 409 CD1 ILE A 29 -1.652 3.396 0.597 1.00 0.00 C ATOM 0 H ILE A 29 -2.574 6.549 -1.201 1.00 0.00 H new ATOM 0 HA ILE A 29 -1.041 4.363 -1.832 1.00 0.00 H new ATOM 0 HB ILE A 29 -4.054 4.647 -1.574 1.00 0.00 H new ATOM 0 HG12 ILE A 29 -2.734 5.226 0.429 1.00 0.00 H new ATOM 0 HG13 ILE A 29 -3.741 3.814 0.682 1.00 0.00 H new ATOM 0 HG21 ILE A 29 -4.126 2.200 -1.208 1.00 0.00 H new ATOM 0 HG22 ILE A 29 -3.571 2.612 -2.848 1.00 0.00 H new ATOM 0 HG23 ILE A 29 -2.396 2.098 -1.614 1.00 0.00 H new ATOM 0 HD11 ILE A 29 -1.530 3.502 1.675 1.00 0.00 H new ATOM 0 HD12 ILE A 29 -1.787 2.343 0.349 1.00 0.00 H new ATOM 0 HD13 ILE A 29 -0.764 3.777 0.092 1.00 0.00 H new ATOM 421 N LYS A 30 -3.179 5.155 -4.241 1.00 0.00 N ATOM 422 CA LYS A 30 -3.515 4.968 -5.647 1.00 0.00 C ATOM 423 C LYS A 30 -2.346 5.318 -6.561 1.00 0.00 C ATOM 424 O LYS A 30 -2.213 4.752 -7.642 1.00 0.00 O ATOM 425 CB LYS A 30 -4.722 5.830 -6.005 1.00 0.00 C ATOM 426 CG LYS A 30 -5.306 5.537 -7.372 1.00 0.00 C ATOM 427 CD LYS A 30 -6.474 6.457 -7.674 1.00 0.00 C ATOM 428 CE LYS A 30 -7.374 5.865 -8.739 1.00 0.00 C ATOM 429 NZ LYS A 30 -7.940 4.558 -8.309 1.00 0.00 N ATOM 0 H LYS A 30 -3.767 5.836 -3.761 1.00 0.00 H new ATOM 0 HA LYS A 30 -3.750 3.914 -5.796 1.00 0.00 H new ATOM 0 HB2 LYS A 30 -5.496 5.684 -5.252 1.00 0.00 H new ATOM 0 HB3 LYS A 30 -4.431 6.880 -5.963 1.00 0.00 H new ATOM 0 HG2 LYS A 30 -4.536 5.659 -8.134 1.00 0.00 H new ATOM 0 HG3 LYS A 30 -5.636 4.499 -7.415 1.00 0.00 H new ATOM 0 HD2 LYS A 30 -7.048 6.631 -6.764 1.00 0.00 H new ATOM 0 HD3 LYS A 30 -6.101 7.426 -8.006 1.00 0.00 H new ATOM 0 HE2 LYS A 30 -8.185 6.559 -8.959 1.00 0.00 H new ATOM 0 HE3 LYS A 30 -6.809 5.732 -9.662 1.00 0.00 H new ATOM 0 HZ1 LYS A 30 -8.924 4.480 -8.638 1.00 0.00 H new ATOM 0 HZ2 LYS A 30 -7.377 3.785 -8.717 1.00 0.00 H new ATOM 0 HZ3 LYS A 30 -7.916 4.494 -7.271 1.00 0.00 H new ATOM 443 N ASP A 31 -1.499 6.245 -6.131 1.00 0.00 N ATOM 444 CA ASP A 31 -0.384 6.677 -6.961 1.00 0.00 C ATOM 445 C ASP A 31 0.617 5.541 -7.112 1.00 0.00 C ATOM 446 O ASP A 31 1.009 5.187 -8.221 1.00 0.00 O ATOM 447 CB ASP A 31 0.318 7.900 -6.364 1.00 0.00 C ATOM 448 CG ASP A 31 0.742 8.888 -7.427 1.00 0.00 C ATOM 449 OD1 ASP A 31 1.594 8.539 -8.264 1.00 0.00 O ATOM 450 OD2 ASP A 31 0.229 10.024 -7.425 1.00 0.00 O ATOM 0 H ASP A 31 -1.562 6.707 -5.224 1.00 0.00 H new ATOM 0 HA ASP A 31 -0.781 6.955 -7.937 1.00 0.00 H new ATOM 0 HB2 ASP A 31 -0.351 8.393 -5.658 1.00 0.00 H new ATOM 0 HB3 ASP A 31 1.193 7.576 -5.801 1.00 0.00 H new ATOM 455 N VAL A 32 1.004 4.956 -5.985 1.00 0.00 N ATOM 456 CA VAL A 32 1.954 3.851 -5.983 1.00 0.00 C ATOM 457 C VAL A 32 1.292 2.578 -6.499 1.00 0.00 C ATOM 458 O VAL A 32 1.893 1.814 -7.256 1.00 0.00 O ATOM 459 CB VAL A 32 2.534 3.601 -4.570 1.00 0.00 C ATOM 460 CG1 VAL A 32 3.547 2.465 -4.589 1.00 0.00 C ATOM 461 CG2 VAL A 32 3.163 4.872 -4.021 1.00 0.00 C ATOM 0 H VAL A 32 0.674 5.229 -5.059 1.00 0.00 H new ATOM 0 HA VAL A 32 2.775 4.126 -6.645 1.00 0.00 H new ATOM 0 HB VAL A 32 1.714 3.309 -3.913 1.00 0.00 H new ATOM 0 HG11 VAL A 32 3.939 2.310 -3.584 1.00 0.00 H new ATOM 0 HG12 VAL A 32 3.063 1.552 -4.934 1.00 0.00 H new ATOM 0 HG13 VAL A 32 4.366 2.719 -5.263 1.00 0.00 H new ATOM 0 HG21 VAL A 32 3.566 4.679 -3.027 1.00 0.00 H new ATOM 0 HG22 VAL A 32 3.967 5.195 -4.682 1.00 0.00 H new ATOM 0 HG23 VAL A 32 2.407 5.655 -3.960 1.00 0.00 H new ATOM 471 N LEU A 33 0.043 2.367 -6.104 1.00 0.00 N ATOM 472 CA LEU A 33 -0.715 1.204 -6.543 1.00 0.00 C ATOM 473 C LEU A 33 -0.903 1.233 -8.055 1.00 0.00 C ATOM 474 O LEU A 33 -0.821 0.201 -8.720 1.00 0.00 O ATOM 475 CB LEU A 33 -2.077 1.163 -5.849 1.00 0.00 C ATOM 476 CG LEU A 33 -2.899 -0.101 -6.096 1.00 0.00 C ATOM 477 CD1 LEU A 33 -2.201 -1.313 -5.499 1.00 0.00 C ATOM 478 CD2 LEU A 33 -4.297 0.052 -5.518 1.00 0.00 C ATOM 0 H LEU A 33 -0.468 2.989 -5.478 1.00 0.00 H new ATOM 0 HA LEU A 33 -0.156 0.308 -6.275 1.00 0.00 H new ATOM 0 HB2 LEU A 33 -1.923 1.272 -4.776 1.00 0.00 H new ATOM 0 HB3 LEU A 33 -2.659 2.025 -6.176 1.00 0.00 H new ATOM 0 HG LEU A 33 -2.988 -0.252 -7.172 1.00 0.00 H new ATOM 0 HD11 LEU A 33 -2.799 -2.205 -5.684 1.00 0.00 H new ATOM 0 HD12 LEU A 33 -1.221 -1.432 -5.960 1.00 0.00 H new ATOM 0 HD13 LEU A 33 -2.082 -1.172 -4.425 1.00 0.00 H new ATOM 0 HD21 LEU A 33 -4.869 -0.857 -5.703 1.00 0.00 H new ATOM 0 HD22 LEU A 33 -4.230 0.226 -4.444 1.00 0.00 H new ATOM 0 HD23 LEU A 33 -4.796 0.897 -5.992 1.00 0.00 H new ATOM 490 N GLY A 34 -1.151 2.427 -8.584 1.00 0.00 N ATOM 491 CA GLY A 34 -1.287 2.602 -10.015 1.00 0.00 C ATOM 492 C GLY A 34 0.000 2.287 -10.755 1.00 0.00 C ATOM 493 O GLY A 34 -0.028 1.709 -11.842 1.00 0.00 O ATOM 0 H GLY A 34 -1.261 3.283 -8.040 1.00 0.00 H new ATOM 0 HA2 GLY A 34 -2.084 1.957 -10.384 1.00 0.00 H new ATOM 0 HA3 GLY A 34 -1.584 3.629 -10.227 1.00 0.00 H new ATOM 497 N GLU A 35 1.132 2.662 -10.159 1.00 0.00 N ATOM 498 CA GLU A 35 2.444 2.344 -10.723 1.00 0.00 C ATOM 499 C GLU A 35 2.661 0.835 -10.741 1.00 0.00 C ATOM 500 O GLU A 35 3.178 0.276 -11.712 1.00 0.00 O ATOM 501 CB GLU A 35 3.554 3.009 -9.899 1.00 0.00 C ATOM 502 CG GLU A 35 3.482 4.526 -9.875 1.00 0.00 C ATOM 503 CD GLU A 35 3.937 5.171 -11.170 1.00 0.00 C ATOM 504 OE1 GLU A 35 3.523 4.719 -12.252 1.00 0.00 O ATOM 505 OE2 GLU A 35 4.725 6.141 -11.110 1.00 0.00 O ATOM 0 H GLU A 35 1.167 3.187 -9.285 1.00 0.00 H new ATOM 0 HA GLU A 35 2.479 2.724 -11.744 1.00 0.00 H new ATOM 0 HB2 GLU A 35 3.505 2.637 -8.876 1.00 0.00 H new ATOM 0 HB3 GLU A 35 4.521 2.708 -10.302 1.00 0.00 H new ATOM 0 HG2 GLU A 35 2.456 4.830 -9.667 1.00 0.00 H new ATOM 0 HG3 GLU A 35 4.097 4.899 -9.056 1.00 0.00 H new ATOM 512 N LEU A 36 2.255 0.182 -9.660 1.00 0.00 N ATOM 513 CA LEU A 36 2.416 -1.260 -9.529 1.00 0.00 C ATOM 514 C LEU A 36 1.373 -2.002 -10.357 1.00 0.00 C ATOM 515 O LEU A 36 1.509 -3.198 -10.609 1.00 0.00 O ATOM 516 CB LEU A 36 2.312 -1.674 -8.059 1.00 0.00 C ATOM 517 CG LEU A 36 3.364 -1.062 -7.129 1.00 0.00 C ATOM 518 CD1 LEU A 36 3.121 -1.498 -5.693 1.00 0.00 C ATOM 519 CD2 LEU A 36 4.766 -1.455 -7.578 1.00 0.00 C ATOM 0 H LEU A 36 1.810 0.630 -8.859 1.00 0.00 H new ATOM 0 HA LEU A 36 3.404 -1.526 -9.904 1.00 0.00 H new ATOM 0 HB2 LEU A 36 1.323 -1.401 -7.691 1.00 0.00 H new ATOM 0 HB3 LEU A 36 2.386 -2.760 -7.999 1.00 0.00 H new ATOM 0 HG LEU A 36 3.280 0.024 -7.178 1.00 0.00 H new ATOM 0 HD11 LEU A 36 3.877 -1.054 -5.045 1.00 0.00 H new ATOM 0 HD12 LEU A 36 2.132 -1.168 -5.375 1.00 0.00 H new ATOM 0 HD13 LEU A 36 3.179 -2.584 -5.628 1.00 0.00 H new ATOM 0 HD21 LEU A 36 5.501 -1.012 -6.906 1.00 0.00 H new ATOM 0 HD22 LEU A 36 4.864 -2.540 -7.557 1.00 0.00 H new ATOM 0 HD23 LEU A 36 4.938 -1.095 -8.592 1.00 0.00 H new ATOM 531 N GLU A 37 0.328 -1.278 -10.761 1.00 0.00 N ATOM 532 CA GLU A 37 -0.708 -1.803 -11.651 1.00 0.00 C ATOM 533 C GLU A 37 -1.457 -2.974 -10.996 1.00 0.00 C ATOM 534 O GLU A 37 -2.021 -3.834 -11.677 1.00 0.00 O ATOM 535 CB GLU A 37 -0.071 -2.228 -12.980 1.00 0.00 C ATOM 536 CG GLU A 37 -1.062 -2.463 -14.106 1.00 0.00 C ATOM 537 CD GLU A 37 -0.384 -2.914 -15.380 1.00 0.00 C ATOM 538 OE1 GLU A 37 0.194 -4.019 -15.390 1.00 0.00 O ATOM 539 OE2 GLU A 37 -0.423 -2.167 -16.377 1.00 0.00 O ATOM 0 H GLU A 37 0.176 -0.309 -10.480 1.00 0.00 H new ATOM 0 HA GLU A 37 -1.440 -1.019 -11.845 1.00 0.00 H new ATOM 0 HB2 GLU A 37 0.638 -1.460 -13.291 1.00 0.00 H new ATOM 0 HB3 GLU A 37 0.500 -3.142 -12.819 1.00 0.00 H new ATOM 0 HG2 GLU A 37 -1.788 -3.215 -13.797 1.00 0.00 H new ATOM 0 HG3 GLU A 37 -1.616 -1.544 -14.297 1.00 0.00 H new ATOM 546 N ILE A 38 -1.484 -2.979 -9.670 1.00 0.00 N ATOM 547 CA ILE A 38 -2.137 -4.046 -8.920 1.00 0.00 C ATOM 548 C ILE A 38 -3.622 -3.741 -8.736 1.00 0.00 C ATOM 549 O ILE A 38 -3.985 -2.697 -8.196 1.00 0.00 O ATOM 550 CB ILE A 38 -1.478 -4.253 -7.538 1.00 0.00 C ATOM 551 CG1 ILE A 38 0.002 -4.611 -7.707 1.00 0.00 C ATOM 552 CG2 ILE A 38 -2.201 -5.344 -6.755 1.00 0.00 C ATOM 553 CD1 ILE A 38 0.751 -4.739 -6.398 1.00 0.00 C ATOM 0 H ILE A 38 -1.061 -2.255 -9.090 1.00 0.00 H new ATOM 0 HA ILE A 38 -2.024 -4.964 -9.497 1.00 0.00 H new ATOM 0 HB ILE A 38 -1.553 -3.322 -6.977 1.00 0.00 H new ATOM 0 HG12 ILE A 38 0.079 -5.551 -8.253 1.00 0.00 H new ATOM 0 HG13 ILE A 38 0.484 -3.848 -8.318 1.00 0.00 H new ATOM 0 HG21 ILE A 38 -1.721 -5.474 -5.785 1.00 0.00 H new ATOM 0 HG22 ILE A 38 -3.243 -5.058 -6.609 1.00 0.00 H new ATOM 0 HG23 ILE A 38 -2.156 -6.281 -7.310 1.00 0.00 H new ATOM 0 HD11 ILE A 38 1.792 -4.994 -6.598 1.00 0.00 H new ATOM 0 HD12 ILE A 38 0.706 -3.793 -5.859 1.00 0.00 H new ATOM 0 HD13 ILE A 38 0.295 -5.523 -5.793 1.00 0.00 H new ATOM 565 N PRO A 39 -4.502 -4.647 -9.197 1.00 0.00 N ATOM 566 CA PRO A 39 -5.950 -4.483 -9.062 1.00 0.00 C ATOM 567 C PRO A 39 -6.406 -4.540 -7.604 1.00 0.00 C ATOM 568 O PRO A 39 -6.369 -5.596 -6.967 1.00 0.00 O ATOM 569 CB PRO A 39 -6.534 -5.664 -9.852 1.00 0.00 C ATOM 570 CG PRO A 39 -5.406 -6.193 -10.672 1.00 0.00 C ATOM 571 CD PRO A 39 -4.157 -5.896 -9.894 1.00 0.00 C ATOM 0 HA PRO A 39 -6.279 -3.511 -9.430 1.00 0.00 H new ATOM 0 HB2 PRO A 39 -6.924 -6.430 -9.182 1.00 0.00 H new ATOM 0 HB3 PRO A 39 -7.361 -5.342 -10.484 1.00 0.00 H new ATOM 0 HG2 PRO A 39 -5.515 -7.264 -10.841 1.00 0.00 H new ATOM 0 HG3 PRO A 39 -5.378 -5.716 -11.652 1.00 0.00 H new ATOM 0 HD2 PRO A 39 -3.915 -6.697 -9.195 1.00 0.00 H new ATOM 0 HD3 PRO A 39 -3.293 -5.771 -10.547 1.00 0.00 H new ATOM 579 N ILE A 40 -6.836 -3.395 -7.081 1.00 0.00 N ATOM 580 CA ILE A 40 -7.326 -3.306 -5.708 1.00 0.00 C ATOM 581 C ILE A 40 -8.649 -4.069 -5.557 1.00 0.00 C ATOM 582 O ILE A 40 -9.057 -4.421 -4.454 1.00 0.00 O ATOM 583 CB ILE A 40 -7.519 -1.828 -5.283 1.00 0.00 C ATOM 584 CG1 ILE A 40 -7.869 -1.730 -3.792 1.00 0.00 C ATOM 585 CG2 ILE A 40 -8.591 -1.161 -6.134 1.00 0.00 C ATOM 586 CD1 ILE A 40 -8.038 -0.310 -3.297 1.00 0.00 C ATOM 0 H ILE A 40 -6.855 -2.511 -7.590 1.00 0.00 H new ATOM 0 HA ILE A 40 -6.579 -3.760 -5.057 1.00 0.00 H new ATOM 0 HB ILE A 40 -6.578 -1.302 -5.444 1.00 0.00 H new ATOM 0 HG12 ILE A 40 -8.791 -2.281 -3.608 1.00 0.00 H new ATOM 0 HG13 ILE A 40 -7.085 -2.217 -3.211 1.00 0.00 H new ATOM 0 HG21 ILE A 40 -8.712 -0.124 -5.820 1.00 0.00 H new ATOM 0 HG22 ILE A 40 -8.294 -1.191 -7.182 1.00 0.00 H new ATOM 0 HG23 ILE A 40 -9.536 -1.690 -6.009 1.00 0.00 H new ATOM 0 HD11 ILE A 40 -8.284 -0.322 -2.235 1.00 0.00 H new ATOM 0 HD12 ILE A 40 -7.110 0.241 -3.448 1.00 0.00 H new ATOM 0 HD13 ILE A 40 -8.842 0.175 -3.851 1.00 0.00 H new ATOM 598 N GLU A 41 -9.288 -4.343 -6.689 1.00 0.00 N ATOM 599 CA GLU A 41 -10.571 -5.039 -6.721 1.00 0.00 C ATOM 600 C GLU A 41 -10.499 -6.405 -6.028 1.00 0.00 C ATOM 601 O GLU A 41 -11.411 -6.794 -5.300 1.00 0.00 O ATOM 602 CB GLU A 41 -11.001 -5.221 -8.178 1.00 0.00 C ATOM 603 CG GLU A 41 -12.348 -5.904 -8.353 1.00 0.00 C ATOM 604 CD GLU A 41 -12.665 -6.181 -9.804 1.00 0.00 C ATOM 605 OE1 GLU A 41 -13.109 -5.250 -10.505 1.00 0.00 O ATOM 606 OE2 GLU A 41 -12.463 -7.330 -10.252 1.00 0.00 O ATOM 0 H GLU A 41 -8.932 -4.089 -7.611 1.00 0.00 H new ATOM 0 HA GLU A 41 -11.300 -4.436 -6.180 1.00 0.00 H new ATOM 0 HB2 GLU A 41 -11.038 -4.243 -8.658 1.00 0.00 H new ATOM 0 HB3 GLU A 41 -10.241 -5.804 -8.699 1.00 0.00 H new ATOM 0 HG2 GLU A 41 -12.353 -6.841 -7.797 1.00 0.00 H new ATOM 0 HG3 GLU A 41 -13.130 -5.276 -7.926 1.00 0.00 H new ATOM 613 N THR A 42 -9.403 -7.117 -6.238 1.00 0.00 N ATOM 614 CA THR A 42 -9.290 -8.492 -5.771 1.00 0.00 C ATOM 615 C THR A 42 -8.530 -8.581 -4.441 1.00 0.00 C ATOM 616 O THR A 42 -8.323 -9.672 -3.903 1.00 0.00 O ATOM 617 CB THR A 42 -8.599 -9.369 -6.847 1.00 0.00 C ATOM 618 OG1 THR A 42 -8.628 -10.755 -6.477 1.00 0.00 O ATOM 619 CG2 THR A 42 -7.157 -8.932 -7.073 1.00 0.00 C ATOM 0 H THR A 42 -8.580 -6.767 -6.728 1.00 0.00 H new ATOM 0 HA THR A 42 -10.299 -8.866 -5.598 1.00 0.00 H new ATOM 0 HB THR A 42 -9.154 -9.238 -7.776 1.00 0.00 H new ATOM 0 HG1 THR A 42 -8.534 -10.836 -5.505 1.00 0.00 H new ATOM 0 HG21 THR A 42 -6.700 -9.566 -7.833 1.00 0.00 H new ATOM 0 HG22 THR A 42 -7.139 -7.895 -7.407 1.00 0.00 H new ATOM 0 HG23 THR A 42 -6.599 -9.023 -6.141 1.00 0.00 H new ATOM 627 N VAL A 43 -8.132 -7.437 -3.892 1.00 0.00 N ATOM 628 CA VAL A 43 -7.333 -7.427 -2.669 1.00 0.00 C ATOM 629 C VAL A 43 -7.935 -6.494 -1.617 1.00 0.00 C ATOM 630 O VAL A 43 -8.891 -5.770 -1.891 1.00 0.00 O ATOM 631 CB VAL A 43 -5.869 -7.003 -2.945 1.00 0.00 C ATOM 632 CG1 VAL A 43 -5.249 -7.844 -4.054 1.00 0.00 C ATOM 633 CG2 VAL A 43 -5.782 -5.531 -3.297 1.00 0.00 C ATOM 0 H VAL A 43 -8.346 -6.514 -4.269 1.00 0.00 H new ATOM 0 HA VAL A 43 -7.338 -8.448 -2.288 1.00 0.00 H new ATOM 0 HB VAL A 43 -5.305 -7.173 -2.028 1.00 0.00 H new ATOM 0 HG11 VAL A 43 -4.222 -7.522 -4.224 1.00 0.00 H new ATOM 0 HG12 VAL A 43 -5.256 -8.894 -3.762 1.00 0.00 H new ATOM 0 HG13 VAL A 43 -5.825 -7.719 -4.971 1.00 0.00 H new ATOM 0 HG21 VAL A 43 -4.742 -5.263 -3.485 1.00 0.00 H new ATOM 0 HG22 VAL A 43 -6.375 -5.335 -4.190 1.00 0.00 H new ATOM 0 HG23 VAL A 43 -6.166 -4.936 -2.469 1.00 0.00 H new ATOM 643 N VAL A 44 -7.387 -6.542 -0.405 1.00 0.00 N ATOM 644 CA VAL A 44 -7.762 -5.612 0.655 1.00 0.00 C ATOM 645 C VAL A 44 -6.505 -4.942 1.206 1.00 0.00 C ATOM 646 O VAL A 44 -5.486 -5.602 1.416 1.00 0.00 O ATOM 647 CB VAL A 44 -8.518 -6.324 1.804 1.00 0.00 C ATOM 648 CG1 VAL A 44 -8.906 -5.342 2.900 1.00 0.00 C ATOM 649 CG2 VAL A 44 -9.751 -7.045 1.277 1.00 0.00 C ATOM 0 H VAL A 44 -6.676 -7.221 -0.132 1.00 0.00 H new ATOM 0 HA VAL A 44 -8.433 -4.866 0.229 1.00 0.00 H new ATOM 0 HB VAL A 44 -7.843 -7.063 2.235 1.00 0.00 H new ATOM 0 HG11 VAL A 44 -9.435 -5.871 3.692 1.00 0.00 H new ATOM 0 HG12 VAL A 44 -8.008 -4.880 3.309 1.00 0.00 H new ATOM 0 HG13 VAL A 44 -9.554 -4.570 2.484 1.00 0.00 H new ATOM 0 HG21 VAL A 44 -10.265 -7.537 2.102 1.00 0.00 H new ATOM 0 HG22 VAL A 44 -10.422 -6.324 0.810 1.00 0.00 H new ATOM 0 HG23 VAL A 44 -9.450 -7.790 0.541 1.00 0.00 H new ATOM 659 N VAL A 45 -6.569 -3.637 1.423 1.00 0.00 N ATOM 660 CA VAL A 45 -5.404 -2.882 1.857 1.00 0.00 C ATOM 661 C VAL A 45 -5.511 -2.493 3.329 1.00 0.00 C ATOM 662 O VAL A 45 -6.514 -1.922 3.763 1.00 0.00 O ATOM 663 CB VAL A 45 -5.213 -1.605 1.006 1.00 0.00 C ATOM 664 CG1 VAL A 45 -3.951 -0.861 1.418 1.00 0.00 C ATOM 665 CG2 VAL A 45 -5.172 -1.952 -0.476 1.00 0.00 C ATOM 0 H VAL A 45 -7.415 -3.079 1.306 1.00 0.00 H new ATOM 0 HA VAL A 45 -4.539 -3.532 1.723 1.00 0.00 H new ATOM 0 HB VAL A 45 -6.065 -0.948 1.183 1.00 0.00 H new ATOM 0 HG11 VAL A 45 -3.839 0.033 0.805 1.00 0.00 H new ATOM 0 HG12 VAL A 45 -4.024 -0.575 2.467 1.00 0.00 H new ATOM 0 HG13 VAL A 45 -3.085 -1.508 1.278 1.00 0.00 H new ATOM 0 HG21 VAL A 45 -5.037 -1.041 -1.059 1.00 0.00 H new ATOM 0 HG22 VAL A 45 -4.342 -2.632 -0.668 1.00 0.00 H new ATOM 0 HG23 VAL A 45 -6.108 -2.432 -0.763 1.00 0.00 H new ATOM 675 N LYS A 46 -4.472 -2.814 4.090 1.00 0.00 N ATOM 676 CA LYS A 46 -4.381 -2.409 5.484 1.00 0.00 C ATOM 677 C LYS A 46 -3.174 -1.507 5.701 1.00 0.00 C ATOM 678 O LYS A 46 -2.042 -1.900 5.438 1.00 0.00 O ATOM 679 CB LYS A 46 -4.258 -3.627 6.404 1.00 0.00 C ATOM 680 CG LYS A 46 -5.568 -4.344 6.688 1.00 0.00 C ATOM 681 CD LYS A 46 -5.361 -5.448 7.713 1.00 0.00 C ATOM 682 CE LYS A 46 -6.676 -6.044 8.183 1.00 0.00 C ATOM 683 NZ LYS A 46 -6.482 -7.002 9.306 1.00 0.00 N ATOM 0 H LYS A 46 -3.675 -3.358 3.760 1.00 0.00 H new ATOM 0 HA LYS A 46 -5.295 -1.866 5.726 1.00 0.00 H new ATOM 0 HB2 LYS A 46 -3.562 -4.335 5.955 1.00 0.00 H new ATOM 0 HB3 LYS A 46 -3.822 -3.308 7.350 1.00 0.00 H new ATOM 0 HG2 LYS A 46 -6.306 -3.632 7.056 1.00 0.00 H new ATOM 0 HG3 LYS A 46 -5.965 -4.767 5.765 1.00 0.00 H new ATOM 0 HD2 LYS A 46 -4.742 -6.233 7.279 1.00 0.00 H new ATOM 0 HD3 LYS A 46 -4.817 -5.050 8.570 1.00 0.00 H new ATOM 0 HE2 LYS A 46 -7.344 -5.244 8.500 1.00 0.00 H new ATOM 0 HE3 LYS A 46 -7.161 -6.554 7.351 1.00 0.00 H new ATOM 0 HZ1 LYS A 46 -7.403 -7.386 9.597 1.00 0.00 H new ATOM 0 HZ2 LYS A 46 -5.865 -7.780 8.996 1.00 0.00 H new ATOM 0 HZ3 LYS A 46 -6.042 -6.510 10.110 1.00 0.00 H new ATOM 697 N LYS A 47 -3.421 -0.300 6.172 1.00 0.00 N ATOM 698 CA LYS A 47 -2.350 0.613 6.541 1.00 0.00 C ATOM 699 C LYS A 47 -2.115 0.537 8.039 1.00 0.00 C ATOM 700 O LYS A 47 -2.919 1.044 8.823 1.00 0.00 O ATOM 701 CB LYS A 47 -2.696 2.045 6.139 1.00 0.00 C ATOM 702 CG LYS A 47 -2.703 2.272 4.638 1.00 0.00 C ATOM 703 CD LYS A 47 -3.179 3.672 4.264 1.00 0.00 C ATOM 704 CE LYS A 47 -2.207 4.767 4.693 1.00 0.00 C ATOM 705 NZ LYS A 47 -2.230 5.020 6.159 1.00 0.00 N ATOM 0 H LYS A 47 -4.359 0.075 6.310 1.00 0.00 H new ATOM 0 HA LYS A 47 -1.442 0.321 6.013 1.00 0.00 H new ATOM 0 HB2 LYS A 47 -3.677 2.299 6.541 1.00 0.00 H new ATOM 0 HB3 LYS A 47 -1.978 2.725 6.597 1.00 0.00 H new ATOM 0 HG2 LYS A 47 -1.698 2.116 4.245 1.00 0.00 H new ATOM 0 HG3 LYS A 47 -3.349 1.533 4.164 1.00 0.00 H new ATOM 0 HD2 LYS A 47 -3.323 3.724 3.185 1.00 0.00 H new ATOM 0 HD3 LYS A 47 -4.150 3.855 4.725 1.00 0.00 H new ATOM 0 HE2 LYS A 47 -1.197 4.487 4.394 1.00 0.00 H new ATOM 0 HE3 LYS A 47 -2.451 5.689 4.166 1.00 0.00 H new ATOM 0 HZ1 LYS A 47 -2.316 6.042 6.334 1.00 0.00 H new ATOM 0 HZ2 LYS A 47 -3.041 4.527 6.584 1.00 0.00 H new ATOM 0 HZ3 LYS A 47 -1.349 4.669 6.586 1.00 0.00 H new ATOM 719 N ASN A 48 -1.035 -0.134 8.432 1.00 0.00 N ATOM 720 CA ASN A 48 -0.726 -0.362 9.849 1.00 0.00 C ATOM 721 C ASN A 48 -1.821 -1.198 10.514 1.00 0.00 C ATOM 722 O ASN A 48 -1.932 -1.233 11.739 1.00 0.00 O ATOM 723 CB ASN A 48 -0.551 0.967 10.603 1.00 0.00 C ATOM 724 CG ASN A 48 0.758 1.682 10.297 1.00 0.00 C ATOM 725 OD1 ASN A 48 1.845 0.934 10.165 1.00 0.00 O flip ATOM 726 ND2 ASN A 48 0.797 2.907 10.210 1.00 0.00 N flip ATOM 0 H ASN A 48 -0.353 -0.533 7.787 1.00 0.00 H new ATOM 0 HA ASN A 48 0.215 -0.910 9.896 1.00 0.00 H new ATOM 0 HB2 ASN A 48 -1.381 1.627 10.353 1.00 0.00 H new ATOM 0 HB3 ASN A 48 -0.607 0.776 11.675 1.00 0.00 H new ATOM 0 HD21 ASN A 48 -0.058 3.453 10.317 1.00 0.00 H new ATOM 0 HD22 ASN A 48 1.684 3.378 10.031 1.00 0.00 H new ATOM 733 N GLY A 49 -2.624 -1.879 9.698 1.00 0.00 N ATOM 734 CA GLY A 49 -3.706 -2.697 10.221 1.00 0.00 C ATOM 735 C GLY A 49 -5.076 -2.112 9.929 1.00 0.00 C ATOM 736 O GLY A 49 -6.093 -2.796 10.066 1.00 0.00 O ATOM 0 H GLY A 49 -2.544 -1.878 8.681 1.00 0.00 H new ATOM 0 HA2 GLY A 49 -3.642 -3.696 9.789 1.00 0.00 H new ATOM 0 HA3 GLY A 49 -3.585 -2.807 11.299 1.00 0.00 H new ATOM 740 N GLN A 50 -5.109 -0.851 9.519 1.00 0.00 N ATOM 741 CA GLN A 50 -6.372 -0.178 9.232 1.00 0.00 C ATOM 742 C GLN A 50 -6.793 -0.417 7.787 1.00 0.00 C ATOM 743 O GLN A 50 -6.042 -0.120 6.859 1.00 0.00 O ATOM 744 CB GLN A 50 -6.248 1.325 9.492 1.00 0.00 C ATOM 745 CG GLN A 50 -5.889 1.668 10.929 1.00 0.00 C ATOM 746 CD GLN A 50 -6.956 1.242 11.919 1.00 0.00 C ATOM 747 OE1 GLN A 50 -8.148 1.223 11.601 1.00 0.00 O ATOM 748 NE2 GLN A 50 -6.537 0.887 13.120 1.00 0.00 N ATOM 0 H GLN A 50 -4.280 -0.274 9.378 1.00 0.00 H new ATOM 0 HA GLN A 50 -7.133 -0.592 9.893 1.00 0.00 H new ATOM 0 HB2 GLN A 50 -5.489 1.738 8.828 1.00 0.00 H new ATOM 0 HB3 GLN A 50 -7.191 1.808 9.237 1.00 0.00 H new ATOM 0 HG2 GLN A 50 -4.946 1.186 11.188 1.00 0.00 H new ATOM 0 HG3 GLN A 50 -5.731 2.743 11.012 1.00 0.00 H new ATOM 0 HE21 GLN A 50 -5.542 0.917 13.343 1.00 0.00 H new ATOM 0 HE22 GLN A 50 -7.208 0.583 13.825 1.00 0.00 H new ATOM 757 N ILE A 51 -7.993 -0.951 7.600 1.00 0.00 N ATOM 758 CA ILE A 51 -8.514 -1.208 6.262 1.00 0.00 C ATOM 759 C ILE A 51 -8.947 0.099 5.615 1.00 0.00 C ATOM 760 O ILE A 51 -9.795 0.816 6.152 1.00 0.00 O ATOM 761 CB ILE A 51 -9.707 -2.188 6.287 1.00 0.00 C ATOM 762 CG1 ILE A 51 -9.288 -3.515 6.925 1.00 0.00 C ATOM 763 CG2 ILE A 51 -10.239 -2.419 4.879 1.00 0.00 C ATOM 764 CD1 ILE A 51 -10.410 -4.526 7.028 1.00 0.00 C ATOM 0 H ILE A 51 -8.624 -1.215 8.357 1.00 0.00 H new ATOM 0 HA ILE A 51 -7.714 -1.666 5.681 1.00 0.00 H new ATOM 0 HB ILE A 51 -10.504 -1.749 6.887 1.00 0.00 H new ATOM 0 HG12 ILE A 51 -8.475 -3.947 6.341 1.00 0.00 H new ATOM 0 HG13 ILE A 51 -8.895 -3.319 7.923 1.00 0.00 H new ATOM 0 HG21 ILE A 51 -11.079 -3.112 4.917 1.00 0.00 H new ATOM 0 HG22 ILE A 51 -10.570 -1.471 4.455 1.00 0.00 H new ATOM 0 HG23 ILE A 51 -9.449 -2.839 4.256 1.00 0.00 H new ATOM 0 HD11 ILE A 51 -10.035 -5.439 7.490 1.00 0.00 H new ATOM 0 HD12 ILE A 51 -11.215 -4.115 7.637 1.00 0.00 H new ATOM 0 HD13 ILE A 51 -10.788 -4.752 6.031 1.00 0.00 H new ATOM 776 N VAL A 52 -8.359 0.410 4.470 1.00 0.00 N ATOM 777 CA VAL A 52 -8.611 1.675 3.795 1.00 0.00 C ATOM 778 C VAL A 52 -8.816 1.472 2.297 1.00 0.00 C ATOM 779 O VAL A 52 -8.716 0.350 1.791 1.00 0.00 O ATOM 780 CB VAL A 52 -7.439 2.659 3.997 1.00 0.00 C ATOM 781 CG1 VAL A 52 -7.294 3.044 5.461 1.00 0.00 C ATOM 782 CG2 VAL A 52 -6.143 2.059 3.472 1.00 0.00 C ATOM 0 H VAL A 52 -7.700 -0.200 3.986 1.00 0.00 H new ATOM 0 HA VAL A 52 -9.518 2.089 4.235 1.00 0.00 H new ATOM 0 HB VAL A 52 -7.657 3.564 3.431 1.00 0.00 H new ATOM 0 HG11 VAL A 52 -6.461 3.738 5.574 1.00 0.00 H new ATOM 0 HG12 VAL A 52 -8.212 3.520 5.805 1.00 0.00 H new ATOM 0 HG13 VAL A 52 -7.105 2.150 6.055 1.00 0.00 H new ATOM 0 HG21 VAL A 52 -5.327 2.766 3.623 1.00 0.00 H new ATOM 0 HG22 VAL A 52 -5.926 1.135 4.009 1.00 0.00 H new ATOM 0 HG23 VAL A 52 -6.246 1.845 2.408 1.00 0.00 H new ATOM 792 N ILE A 53 -9.106 2.562 1.597 1.00 0.00 N ATOM 793 CA ILE A 53 -9.217 2.535 0.146 1.00 0.00 C ATOM 794 C ILE A 53 -7.962 3.126 -0.494 1.00 0.00 C ATOM 795 O ILE A 53 -7.009 3.481 0.200 1.00 0.00 O ATOM 796 CB ILE A 53 -10.463 3.302 -0.359 1.00 0.00 C ATOM 797 CG1 ILE A 53 -10.426 4.760 0.110 1.00 0.00 C ATOM 798 CG2 ILE A 53 -11.736 2.616 0.114 1.00 0.00 C ATOM 799 CD1 ILE A 53 -11.541 5.612 -0.463 1.00 0.00 C ATOM 0 H ILE A 53 -9.269 3.479 2.014 1.00 0.00 H new ATOM 0 HA ILE A 53 -9.325 1.490 -0.146 1.00 0.00 H new ATOM 0 HB ILE A 53 -10.454 3.296 -1.449 1.00 0.00 H new ATOM 0 HG12 ILE A 53 -10.485 4.784 1.198 1.00 0.00 H new ATOM 0 HG13 ILE A 53 -9.467 5.198 -0.167 1.00 0.00 H new ATOM 0 HG21 ILE A 53 -12.603 3.168 -0.249 1.00 0.00 H new ATOM 0 HG22 ILE A 53 -11.766 1.597 -0.273 1.00 0.00 H new ATOM 0 HG23 ILE A 53 -11.752 2.591 1.204 1.00 0.00 H new ATOM 0 HD11 ILE A 53 -11.450 6.631 -0.087 1.00 0.00 H new ATOM 0 HD12 ILE A 53 -11.471 5.619 -1.551 1.00 0.00 H new ATOM 0 HD13 ILE A 53 -12.505 5.199 -0.164 1.00 0.00 H new ATOM 811 N ASP A 54 -7.977 3.253 -1.812 1.00 0.00 N ATOM 812 CA ASP A 54 -6.809 3.708 -2.561 1.00 0.00 C ATOM 813 C ASP A 54 -6.661 5.230 -2.510 1.00 0.00 C ATOM 814 O ASP A 54 -5.644 5.778 -2.937 1.00 0.00 O ATOM 815 CB ASP A 54 -6.903 3.226 -4.015 1.00 0.00 C ATOM 816 CG ASP A 54 -8.160 3.705 -4.719 1.00 0.00 C ATOM 817 OD1 ASP A 54 -9.267 3.287 -4.315 1.00 0.00 O ATOM 818 OD2 ASP A 54 -8.047 4.480 -5.689 1.00 0.00 O ATOM 0 H ASP A 54 -8.791 3.046 -2.391 1.00 0.00 H new ATOM 0 HA ASP A 54 -5.922 3.279 -2.095 1.00 0.00 H new ATOM 0 HB2 ASP A 54 -6.029 3.576 -4.565 1.00 0.00 H new ATOM 0 HB3 ASP A 54 -6.876 2.136 -4.033 1.00 0.00 H new ATOM 823 N GLU A 55 -7.659 5.908 -1.956 1.00 0.00 N ATOM 824 CA GLU A 55 -7.646 7.369 -1.875 1.00 0.00 C ATOM 825 C GLU A 55 -6.984 7.837 -0.570 1.00 0.00 C ATOM 826 O GLU A 55 -7.036 9.016 -0.214 1.00 0.00 O ATOM 827 CB GLU A 55 -9.080 7.909 -1.973 1.00 0.00 C ATOM 828 CG GLU A 55 -9.172 9.396 -2.290 1.00 0.00 C ATOM 829 CD GLU A 55 -8.723 9.723 -3.701 1.00 0.00 C ATOM 830 OE1 GLU A 55 -9.573 9.700 -4.617 1.00 0.00 O ATOM 831 OE2 GLU A 55 -7.526 10.011 -3.903 1.00 0.00 O ATOM 0 H GLU A 55 -8.489 5.472 -1.555 1.00 0.00 H new ATOM 0 HA GLU A 55 -7.062 7.759 -2.708 1.00 0.00 H new ATOM 0 HB2 GLU A 55 -9.613 7.352 -2.743 1.00 0.00 H new ATOM 0 HB3 GLU A 55 -9.592 7.719 -1.030 1.00 0.00 H new ATOM 0 HG2 GLU A 55 -10.201 9.729 -2.154 1.00 0.00 H new ATOM 0 HG3 GLU A 55 -8.560 9.953 -1.580 1.00 0.00 H new ATOM 838 N GLU A 56 -6.348 6.911 0.136 1.00 0.00 N ATOM 839 CA GLU A 56 -5.675 7.237 1.388 1.00 0.00 C ATOM 840 C GLU A 56 -4.228 7.656 1.153 1.00 0.00 C ATOM 841 O GLU A 56 -3.574 7.184 0.223 1.00 0.00 O ATOM 842 CB GLU A 56 -5.728 6.050 2.347 1.00 0.00 C ATOM 843 CG GLU A 56 -7.101 5.835 2.954 1.00 0.00 C ATOM 844 CD GLU A 56 -7.552 7.015 3.788 1.00 0.00 C ATOM 845 OE1 GLU A 56 -6.928 7.283 4.832 1.00 0.00 O ATOM 846 OE2 GLU A 56 -8.530 7.688 3.400 1.00 0.00 O ATOM 0 H GLU A 56 -6.284 5.930 -0.136 1.00 0.00 H new ATOM 0 HA GLU A 56 -6.201 8.081 1.835 1.00 0.00 H new ATOM 0 HB2 GLU A 56 -5.427 5.147 1.815 1.00 0.00 H new ATOM 0 HB3 GLU A 56 -5.004 6.205 3.147 1.00 0.00 H new ATOM 0 HG2 GLU A 56 -7.824 5.658 2.158 1.00 0.00 H new ATOM 0 HG3 GLU A 56 -7.085 4.939 3.575 1.00 0.00 H new ATOM 853 N GLU A 57 -3.735 8.538 2.010 1.00 0.00 N ATOM 854 CA GLU A 57 -2.385 9.067 1.882 1.00 0.00 C ATOM 855 C GLU A 57 -1.388 8.130 2.556 1.00 0.00 C ATOM 856 O GLU A 57 -1.684 7.545 3.596 1.00 0.00 O ATOM 857 CB GLU A 57 -2.303 10.453 2.526 1.00 0.00 C ATOM 858 CG GLU A 57 -1.498 11.458 1.718 1.00 0.00 C ATOM 859 CD GLU A 57 -2.225 11.902 0.465 1.00 0.00 C ATOM 860 OE1 GLU A 57 -2.232 11.145 -0.521 1.00 0.00 O ATOM 861 OE2 GLU A 57 -2.800 13.014 0.469 1.00 0.00 O ATOM 0 H GLU A 57 -4.254 8.905 2.808 1.00 0.00 H new ATOM 0 HA GLU A 57 -2.140 9.147 0.823 1.00 0.00 H new ATOM 0 HB2 GLU A 57 -3.313 10.839 2.666 1.00 0.00 H new ATOM 0 HB3 GLU A 57 -1.858 10.357 3.517 1.00 0.00 H new ATOM 0 HG2 GLU A 57 -1.281 12.328 2.337 1.00 0.00 H new ATOM 0 HG3 GLU A 57 -0.540 11.016 1.443 1.00 0.00 H new ATOM 868 N ILE A 58 -0.209 7.980 1.966 1.00 0.00 N ATOM 869 CA ILE A 58 0.823 7.140 2.558 1.00 0.00 C ATOM 870 C ILE A 58 1.680 7.963 3.510 1.00 0.00 C ATOM 871 O ILE A 58 2.137 9.049 3.160 1.00 0.00 O ATOM 872 CB ILE A 58 1.734 6.496 1.489 1.00 0.00 C ATOM 873 CG1 ILE A 58 0.894 5.771 0.438 1.00 0.00 C ATOM 874 CG2 ILE A 58 2.711 5.527 2.142 1.00 0.00 C ATOM 875 CD1 ILE A 58 1.713 5.129 -0.661 1.00 0.00 C ATOM 0 H ILE A 58 0.055 8.424 1.087 1.00 0.00 H new ATOM 0 HA ILE A 58 0.316 6.340 3.098 1.00 0.00 H new ATOM 0 HB ILE A 58 2.301 7.286 0.996 1.00 0.00 H new ATOM 0 HG12 ILE A 58 0.297 5.003 0.930 1.00 0.00 H new ATOM 0 HG13 ILE A 58 0.196 6.480 -0.008 1.00 0.00 H new ATOM 0 HG21 ILE A 58 3.347 5.081 1.377 1.00 0.00 H new ATOM 0 HG22 ILE A 58 3.330 6.064 2.861 1.00 0.00 H new ATOM 0 HG23 ILE A 58 2.156 4.742 2.656 1.00 0.00 H new ATOM 0 HD11 ILE A 58 1.048 4.634 -1.369 1.00 0.00 H new ATOM 0 HD12 ILE A 58 2.290 5.895 -1.180 1.00 0.00 H new ATOM 0 HD13 ILE A 58 2.392 4.395 -0.227 1.00 0.00 H new ATOM 887 N PHE A 59 1.883 7.450 4.714 1.00 0.00 N ATOM 888 CA PHE A 59 2.701 8.130 5.708 1.00 0.00 C ATOM 889 C PHE A 59 4.074 7.480 5.795 1.00 0.00 C ATOM 890 O PHE A 59 4.239 6.314 5.432 1.00 0.00 O ATOM 891 CB PHE A 59 2.021 8.090 7.079 1.00 0.00 C ATOM 892 CG PHE A 59 0.688 8.776 7.112 1.00 0.00 C ATOM 893 CD1 PHE A 59 0.607 10.145 7.303 1.00 0.00 C ATOM 894 CD2 PHE A 59 -0.484 8.054 6.957 1.00 0.00 C ATOM 895 CE1 PHE A 59 -0.619 10.782 7.338 1.00 0.00 C ATOM 896 CE2 PHE A 59 -1.712 8.684 6.993 1.00 0.00 C ATOM 897 CZ PHE A 59 -1.780 10.050 7.185 1.00 0.00 C ATOM 0 H PHE A 59 1.491 6.562 5.028 1.00 0.00 H new ATOM 0 HA PHE A 59 2.818 9.170 5.403 1.00 0.00 H new ATOM 0 HB2 PHE A 59 1.892 7.050 7.380 1.00 0.00 H new ATOM 0 HB3 PHE A 59 2.678 8.556 7.814 1.00 0.00 H new ATOM 0 HD1 PHE A 59 1.512 10.721 7.426 1.00 0.00 H new ATOM 0 HD2 PHE A 59 -0.437 6.986 6.806 1.00 0.00 H new ATOM 0 HE1 PHE A 59 -0.669 11.851 7.485 1.00 0.00 H new ATOM 0 HE2 PHE A 59 -2.618 8.109 6.871 1.00 0.00 H new ATOM 0 HZ PHE A 59 -2.739 10.545 7.215 1.00 0.00 H new ATOM 907 N ASP A 60 5.060 8.231 6.262 1.00 0.00 N ATOM 908 CA ASP A 60 6.400 7.687 6.444 1.00 0.00 C ATOM 909 C ASP A 60 6.430 6.760 7.653 1.00 0.00 C ATOM 910 O ASP A 60 6.202 7.188 8.785 1.00 0.00 O ATOM 911 CB ASP A 60 7.427 8.809 6.604 1.00 0.00 C ATOM 912 CG ASP A 60 8.832 8.275 6.815 1.00 0.00 C ATOM 913 OD1 ASP A 60 9.181 7.250 6.194 1.00 0.00 O ATOM 914 OD2 ASP A 60 9.587 8.868 7.617 1.00 0.00 O ATOM 0 H ASP A 60 4.960 9.213 6.521 1.00 0.00 H new ATOM 0 HA ASP A 60 6.662 7.114 5.555 1.00 0.00 H new ATOM 0 HB2 ASP A 60 7.411 9.443 5.718 1.00 0.00 H new ATOM 0 HB3 ASP A 60 7.148 9.437 7.450 1.00 0.00 H new ATOM 919 N GLY A 61 6.690 5.485 7.405 1.00 0.00 N ATOM 920 CA GLY A 61 6.690 4.503 8.469 1.00 0.00 C ATOM 921 C GLY A 61 5.433 3.662 8.453 1.00 0.00 C ATOM 922 O GLY A 61 5.237 2.804 9.312 1.00 0.00 O ATOM 0 H GLY A 61 6.902 5.111 6.480 1.00 0.00 H new ATOM 0 HA2 GLY A 61 7.562 3.857 8.368 1.00 0.00 H new ATOM 0 HA3 GLY A 61 6.778 5.008 9.431 1.00 0.00 H new ATOM 926 N ASP A 62 4.578 3.914 7.472 1.00 0.00 N ATOM 927 CA ASP A 62 3.332 3.173 7.334 1.00 0.00 C ATOM 928 C ASP A 62 3.625 1.784 6.779 1.00 0.00 C ATOM 929 O ASP A 62 4.560 1.605 5.999 1.00 0.00 O ATOM 930 CB ASP A 62 2.375 3.922 6.403 1.00 0.00 C ATOM 931 CG ASP A 62 0.924 3.533 6.608 1.00 0.00 C ATOM 932 OD1 ASP A 62 0.551 2.391 6.286 1.00 0.00 O ATOM 933 OD2 ASP A 62 0.147 4.386 7.093 1.00 0.00 O ATOM 0 H ASP A 62 4.725 4.628 6.758 1.00 0.00 H new ATOM 0 HA ASP A 62 2.861 3.076 8.312 1.00 0.00 H new ATOM 0 HB2 ASP A 62 2.484 4.994 6.565 1.00 0.00 H new ATOM 0 HB3 ASP A 62 2.655 3.726 5.368 1.00 0.00 H new ATOM 938 N ILE A 63 2.848 0.800 7.189 1.00 0.00 N ATOM 939 CA ILE A 63 3.041 -0.556 6.709 1.00 0.00 C ATOM 940 C ILE A 63 1.845 -0.979 5.876 1.00 0.00 C ATOM 941 O ILE A 63 0.734 -1.116 6.393 1.00 0.00 O ATOM 942 CB ILE A 63 3.251 -1.559 7.868 1.00 0.00 C ATOM 943 CG1 ILE A 63 4.474 -1.170 8.704 1.00 0.00 C ATOM 944 CG2 ILE A 63 3.406 -2.977 7.328 1.00 0.00 C ATOM 945 CD1 ILE A 63 5.770 -1.139 7.919 1.00 0.00 C ATOM 0 H ILE A 63 2.080 0.913 7.851 1.00 0.00 H new ATOM 0 HA ILE A 63 3.944 -0.564 6.098 1.00 0.00 H new ATOM 0 HB ILE A 63 2.371 -1.527 8.510 1.00 0.00 H new ATOM 0 HG12 ILE A 63 4.304 -0.187 9.144 1.00 0.00 H new ATOM 0 HG13 ILE A 63 4.577 -1.875 9.529 1.00 0.00 H new ATOM 0 HG21 ILE A 63 3.553 -3.668 8.158 1.00 0.00 H new ATOM 0 HG22 ILE A 63 2.508 -3.257 6.777 1.00 0.00 H new ATOM 0 HG23 ILE A 63 4.268 -3.021 6.663 1.00 0.00 H new ATOM 0 HD11 ILE A 63 6.589 -0.855 8.580 1.00 0.00 H new ATOM 0 HD12 ILE A 63 5.966 -2.127 7.501 1.00 0.00 H new ATOM 0 HD13 ILE A 63 5.688 -0.413 7.110 1.00 0.00 H new ATOM 957 N ILE A 64 2.078 -1.181 4.590 1.00 0.00 N ATOM 958 CA ILE A 64 1.013 -1.522 3.669 1.00 0.00 C ATOM 959 C ILE A 64 0.847 -3.033 3.609 1.00 0.00 C ATOM 960 O ILE A 64 1.659 -3.740 3.014 1.00 0.00 O ATOM 961 CB ILE A 64 1.291 -0.977 2.250 1.00 0.00 C ATOM 962 CG1 ILE A 64 1.595 0.527 2.299 1.00 0.00 C ATOM 963 CG2 ILE A 64 0.109 -1.254 1.330 1.00 0.00 C ATOM 964 CD1 ILE A 64 0.466 1.365 2.863 1.00 0.00 C ATOM 0 H ILE A 64 3.001 -1.114 4.161 1.00 0.00 H new ATOM 0 HA ILE A 64 0.096 -1.061 4.035 1.00 0.00 H new ATOM 0 HB ILE A 64 2.165 -1.491 1.851 1.00 0.00 H new ATOM 0 HG12 ILE A 64 2.489 0.687 2.902 1.00 0.00 H new ATOM 0 HG13 ILE A 64 1.823 0.874 1.291 1.00 0.00 H new ATOM 0 HG21 ILE A 64 0.323 -0.863 0.335 1.00 0.00 H new ATOM 0 HG22 ILE A 64 -0.060 -2.329 1.269 1.00 0.00 H new ATOM 0 HG23 ILE A 64 -0.783 -0.768 1.727 1.00 0.00 H new ATOM 0 HD11 ILE A 64 0.758 2.415 2.864 1.00 0.00 H new ATOM 0 HD12 ILE A 64 -0.425 1.237 2.248 1.00 0.00 H new ATOM 0 HD13 ILE A 64 0.251 1.047 3.883 1.00 0.00 H new ATOM 976 N GLU A 65 -0.196 -3.518 4.246 1.00 0.00 N ATOM 977 CA GLU A 65 -0.468 -4.937 4.290 1.00 0.00 C ATOM 978 C GLU A 65 -1.574 -5.280 3.309 1.00 0.00 C ATOM 979 O GLU A 65 -2.736 -4.931 3.525 1.00 0.00 O ATOM 980 CB GLU A 65 -0.865 -5.348 5.709 1.00 0.00 C ATOM 981 CG GLU A 65 0.153 -4.934 6.757 1.00 0.00 C ATOM 982 CD GLU A 65 -0.281 -5.270 8.166 1.00 0.00 C ATOM 983 OE1 GLU A 65 -1.083 -4.508 8.744 1.00 0.00 O ATOM 984 OE2 GLU A 65 0.200 -6.281 8.717 1.00 0.00 O ATOM 0 H GLU A 65 -0.875 -2.944 4.745 1.00 0.00 H new ATOM 0 HA GLU A 65 0.431 -5.484 4.008 1.00 0.00 H new ATOM 0 HB2 GLU A 65 -1.830 -4.903 5.953 1.00 0.00 H new ATOM 0 HB3 GLU A 65 -0.995 -6.430 5.745 1.00 0.00 H new ATOM 0 HG2 GLU A 65 1.103 -5.426 6.548 1.00 0.00 H new ATOM 0 HG3 GLU A 65 0.327 -3.861 6.682 1.00 0.00 H new ATOM 991 N VAL A 66 -1.214 -5.931 2.219 1.00 0.00 N ATOM 992 CA VAL A 66 -2.194 -6.333 1.234 1.00 0.00 C ATOM 993 C VAL A 66 -2.686 -7.736 1.538 1.00 0.00 C ATOM 994 O VAL A 66 -2.016 -8.728 1.244 1.00 0.00 O ATOM 995 CB VAL A 66 -1.628 -6.274 -0.200 1.00 0.00 C ATOM 996 CG1 VAL A 66 -2.676 -6.720 -1.210 1.00 0.00 C ATOM 997 CG2 VAL A 66 -1.136 -4.869 -0.524 1.00 0.00 C ATOM 0 H VAL A 66 -0.253 -6.191 1.996 1.00 0.00 H new ATOM 0 HA VAL A 66 -3.026 -5.631 1.290 1.00 0.00 H new ATOM 0 HB VAL A 66 -0.781 -6.957 -0.262 1.00 0.00 H new ATOM 0 HG11 VAL A 66 -2.257 -6.671 -2.215 1.00 0.00 H new ATOM 0 HG12 VAL A 66 -2.978 -7.744 -0.992 1.00 0.00 H new ATOM 0 HG13 VAL A 66 -3.544 -6.064 -1.147 1.00 0.00 H new ATOM 0 HG21 VAL A 66 -0.740 -4.847 -1.539 1.00 0.00 H new ATOM 0 HG22 VAL A 66 -1.965 -4.165 -0.442 1.00 0.00 H new ATOM 0 HG23 VAL A 66 -0.351 -4.588 0.177 1.00 0.00 H new ATOM 1007 N ILE A 67 -3.847 -7.802 2.156 1.00 0.00 N ATOM 1008 CA ILE A 67 -4.479 -9.065 2.470 1.00 0.00 C ATOM 1009 C ILE A 67 -5.625 -9.280 1.507 1.00 0.00 C ATOM 1010 O ILE A 67 -6.673 -8.650 1.625 1.00 0.00 O ATOM 1011 CB ILE A 67 -5.006 -9.093 3.921 1.00 0.00 C ATOM 1012 CG1 ILE A 67 -3.887 -8.719 4.898 1.00 0.00 C ATOM 1013 CG2 ILE A 67 -5.573 -10.467 4.252 1.00 0.00 C ATOM 1014 CD1 ILE A 67 -4.347 -8.604 6.335 1.00 0.00 C ATOM 0 H ILE A 67 -4.377 -6.983 2.454 1.00 0.00 H new ATOM 0 HA ILE A 67 -3.740 -9.860 2.374 1.00 0.00 H new ATOM 0 HB ILE A 67 -5.807 -8.360 4.018 1.00 0.00 H new ATOM 0 HG12 ILE A 67 -3.098 -9.469 4.837 1.00 0.00 H new ATOM 0 HG13 ILE A 67 -3.449 -7.770 4.589 1.00 0.00 H new ATOM 0 HG21 ILE A 67 -5.941 -10.471 5.278 1.00 0.00 H new ATOM 0 HG22 ILE A 67 -6.393 -10.696 3.572 1.00 0.00 H new ATOM 0 HG23 ILE A 67 -4.791 -11.219 4.143 1.00 0.00 H new ATOM 0 HD11 ILE A 67 -3.501 -8.337 6.968 1.00 0.00 H new ATOM 0 HD12 ILE A 67 -5.114 -7.834 6.411 1.00 0.00 H new ATOM 0 HD13 ILE A 67 -4.758 -9.559 6.663 1.00 0.00 H new ATOM 1026 N ARG A 68 -5.422 -10.139 0.536 1.00 0.00 N ATOM 1027 CA ARG A 68 -6.409 -10.308 -0.506 1.00 0.00 C ATOM 1028 C ARG A 68 -7.250 -11.548 -0.265 1.00 0.00 C ATOM 1029 O ARG A 68 -6.795 -12.521 0.337 1.00 0.00 O ATOM 1030 CB ARG A 68 -5.755 -10.345 -1.888 1.00 0.00 C ATOM 1031 CG ARG A 68 -4.752 -11.459 -2.098 1.00 0.00 C ATOM 1032 CD ARG A 68 -4.215 -11.429 -3.520 1.00 0.00 C ATOM 1033 NE ARG A 68 -3.277 -12.515 -3.798 1.00 0.00 N ATOM 1034 CZ ARG A 68 -3.364 -13.301 -4.871 1.00 0.00 C ATOM 1035 NH1 ARG A 68 -4.418 -13.212 -5.676 1.00 0.00 N ATOM 1036 NH2 ARG A 68 -2.423 -14.204 -5.113 1.00 0.00 N ATOM 0 H ARG A 68 -4.593 -10.726 0.445 1.00 0.00 H new ATOM 0 HA ARG A 68 -7.073 -9.444 -0.478 1.00 0.00 H new ATOM 0 HB2 ARG A 68 -6.538 -10.437 -2.640 1.00 0.00 H new ATOM 0 HB3 ARG A 68 -5.256 -9.391 -2.062 1.00 0.00 H new ATOM 0 HG2 ARG A 68 -3.930 -11.355 -1.390 1.00 0.00 H new ATOM 0 HG3 ARG A 68 -5.222 -12.422 -1.901 1.00 0.00 H new ATOM 0 HD2 ARG A 68 -5.049 -11.489 -4.219 1.00 0.00 H new ATOM 0 HD3 ARG A 68 -3.720 -10.474 -3.696 1.00 0.00 H new ATOM 0 HE ARG A 68 -2.517 -12.680 -3.137 1.00 0.00 H new ATOM 0 HH11 ARG A 68 -5.160 -12.542 -5.473 1.00 0.00 H new ATOM 0 HH12 ARG A 68 -4.485 -13.813 -6.497 1.00 0.00 H new ATOM 0 HH21 ARG A 68 -1.631 -14.298 -4.477 1.00 0.00 H new ATOM 0 HH22 ARG A 68 -2.492 -14.804 -5.935 1.00 0.00 H new