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 160:sc= -2.36 (180deg=-2.79) USER MOD Single : A 9 LYS NZ :NH3+ -148:sc= 0.584 (180deg=-1.04!) USER MOD Single : A 11 THR OG1 : rot 31:sc= 0.111 USER MOD Single : A 14 THR OG1 : rot 180:sc=-0.00171 USER MOD Single : A 18 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 19 LYS NZ :NH3+ -150:sc= 1.17 (180deg=1.02) USER MOD Single : A 23 SER OG : rot 180:sc= 0 USER MOD Single : A 30 LYS NZ :NH3+ 145:sc= 1.07 (180deg=-0.704) USER MOD Single : A 42 THR OG1 : rot -25:sc= 0.733 USER MOD Single : A 46 LYS NZ :NH3+ 168:sc= 1.23 (180deg=1.01) USER MOD Single : A 47 LYS NZ :NH3+ -164:sc= 2.46 (180deg=2.12) USER MOD Single : A 48 ASN : amide:sc= -0.0471 X(o=-0.047,f=-0.29) USER MOD Single : A 50 GLN : amide:sc= -0.183 K(o=-0.18,f=-0.87) USER MOD ----------------------------------------------------------------- ATOM 36 N ILE A 6 11.876 15.661 2.129 1.00 0.00 N ATOM 37 CA ILE A 6 10.866 14.769 1.581 1.00 0.00 C ATOM 38 C ILE A 6 11.480 13.436 1.181 1.00 0.00 C ATOM 39 O ILE A 6 12.527 13.387 0.530 1.00 0.00 O ATOM 40 CB ILE A 6 10.101 15.377 0.376 1.00 0.00 C ATOM 41 CG1 ILE A 6 11.055 15.978 -0.676 1.00 0.00 C ATOM 42 CG2 ILE A 6 9.099 16.416 0.859 1.00 0.00 C ATOM 43 CD1 ILE A 6 11.406 17.443 -0.468 1.00 0.00 C ATOM 0 HA ILE A 6 10.139 14.614 2.378 1.00 0.00 H new ATOM 0 HB ILE A 6 9.561 14.567 -0.114 1.00 0.00 H new ATOM 0 HG12 ILE A 6 11.977 15.397 -0.681 1.00 0.00 H new ATOM 0 HG13 ILE A 6 10.602 15.866 -1.661 1.00 0.00 H new ATOM 0 HG21 ILE A 6 8.569 16.835 0.004 1.00 0.00 H new ATOM 0 HG22 ILE A 6 8.384 15.946 1.534 1.00 0.00 H new ATOM 0 HG23 ILE A 6 9.626 17.212 1.385 1.00 0.00 H new ATOM 0 HD11 ILE A 6 12.081 17.771 -1.259 1.00 0.00 H new ATOM 0 HD12 ILE A 6 10.496 18.043 -0.495 1.00 0.00 H new ATOM 0 HD13 ILE A 6 11.893 17.567 0.499 1.00 0.00 H new ATOM 55 N GLY A 7 10.823 12.362 1.591 1.00 0.00 N ATOM 56 CA GLY A 7 11.314 11.026 1.329 1.00 0.00 C ATOM 57 C GLY A 7 10.686 10.025 2.274 1.00 0.00 C ATOM 58 O GLY A 7 11.025 9.984 3.458 1.00 0.00 O ATOM 0 H GLY A 7 9.945 12.394 2.109 1.00 0.00 H new ATOM 0 HA2 GLY A 7 11.092 10.748 0.299 1.00 0.00 H new ATOM 0 HA3 GLY A 7 12.398 11.005 1.438 1.00 0.00 H new ATOM 62 N MET A 8 9.764 9.231 1.759 1.00 0.00 N ATOM 63 CA MET A 8 9.010 8.306 2.593 1.00 0.00 C ATOM 64 C MET A 8 9.400 6.863 2.300 1.00 0.00 C ATOM 65 O MET A 8 9.447 6.445 1.146 1.00 0.00 O ATOM 66 CB MET A 8 7.501 8.491 2.374 1.00 0.00 C ATOM 67 CG MET A 8 7.035 8.128 0.971 1.00 0.00 C ATOM 68 SD MET A 8 5.254 8.297 0.748 1.00 0.00 S ATOM 69 CE MET A 8 5.064 7.616 -0.897 1.00 0.00 C ATOM 0 H MET A 8 9.518 9.206 0.769 1.00 0.00 H new ATOM 0 HA MET A 8 9.249 8.526 3.634 1.00 0.00 H new ATOM 0 HB2 MET A 8 6.961 7.879 3.096 1.00 0.00 H new ATOM 0 HB3 MET A 8 7.238 9.529 2.577 1.00 0.00 H new ATOM 0 HG2 MET A 8 7.547 8.764 0.249 1.00 0.00 H new ATOM 0 HG3 MET A 8 7.326 7.100 0.753 1.00 0.00 H new ATOM 0 HE1 MET A 8 4.027 7.318 -1.050 1.00 0.00 H new ATOM 0 HE2 MET A 8 5.338 8.369 -1.636 1.00 0.00 H new ATOM 0 HE3 MET A 8 5.711 6.746 -1.008 1.00 0.00 H new ATOM 79 N LYS A 9 9.688 6.110 3.345 1.00 0.00 N ATOM 80 CA LYS A 9 9.963 4.692 3.203 1.00 0.00 C ATOM 81 C LYS A 9 8.887 3.885 3.909 1.00 0.00 C ATOM 82 O LYS A 9 8.597 4.107 5.085 1.00 0.00 O ATOM 83 CB LYS A 9 11.351 4.346 3.747 1.00 0.00 C ATOM 84 CG LYS A 9 11.630 2.852 3.809 1.00 0.00 C ATOM 85 CD LYS A 9 13.121 2.532 3.749 1.00 0.00 C ATOM 86 CE LYS A 9 13.941 3.310 4.775 1.00 0.00 C ATOM 87 NZ LYS A 9 14.356 4.646 4.265 1.00 0.00 N ATOM 0 H LYS A 9 9.738 6.457 4.303 1.00 0.00 H new ATOM 0 HA LYS A 9 9.952 4.438 2.143 1.00 0.00 H new ATOM 0 HB2 LYS A 9 12.106 4.822 3.121 1.00 0.00 H new ATOM 0 HB3 LYS A 9 11.455 4.768 4.747 1.00 0.00 H new ATOM 0 HG2 LYS A 9 11.211 2.446 4.730 1.00 0.00 H new ATOM 0 HG3 LYS A 9 11.122 2.356 2.982 1.00 0.00 H new ATOM 0 HD2 LYS A 9 13.264 1.464 3.912 1.00 0.00 H new ATOM 0 HD3 LYS A 9 13.495 2.755 2.750 1.00 0.00 H new ATOM 0 HE2 LYS A 9 13.356 3.436 5.686 1.00 0.00 H new ATOM 0 HE3 LYS A 9 14.827 2.734 5.043 1.00 0.00 H new ATOM 0 HZ1 LYS A 9 15.277 4.903 4.674 1.00 0.00 H new ATOM 0 HZ2 LYS A 9 14.435 4.613 3.229 1.00 0.00 H new ATOM 0 HZ3 LYS A 9 13.646 5.357 4.535 1.00 0.00 H new ATOM 101 N PHE A 10 8.289 2.960 3.182 1.00 0.00 N ATOM 102 CA PHE A 10 7.179 2.183 3.699 1.00 0.00 C ATOM 103 C PHE A 10 7.313 0.730 3.281 1.00 0.00 C ATOM 104 O PHE A 10 8.140 0.396 2.428 1.00 0.00 O ATOM 105 CB PHE A 10 5.851 2.765 3.204 1.00 0.00 C ATOM 106 CG PHE A 10 5.762 2.919 1.708 1.00 0.00 C ATOM 107 CD1 PHE A 10 6.321 4.019 1.076 1.00 0.00 C ATOM 108 CD2 PHE A 10 5.110 1.968 0.937 1.00 0.00 C ATOM 109 CE1 PHE A 10 6.234 4.167 -0.295 1.00 0.00 C ATOM 110 CE2 PHE A 10 5.019 2.112 -0.434 1.00 0.00 C ATOM 111 CZ PHE A 10 5.582 3.212 -1.051 1.00 0.00 C ATOM 0 H PHE A 10 8.556 2.728 2.225 1.00 0.00 H new ATOM 0 HA PHE A 10 7.194 2.230 4.788 1.00 0.00 H new ATOM 0 HB2 PHE A 10 5.038 2.122 3.541 1.00 0.00 H new ATOM 0 HB3 PHE A 10 5.699 3.740 3.668 1.00 0.00 H new ATOM 0 HD1 PHE A 10 6.831 4.769 1.662 1.00 0.00 H new ATOM 0 HD2 PHE A 10 4.669 1.105 1.414 1.00 0.00 H new ATOM 0 HE1 PHE A 10 6.675 5.028 -0.775 1.00 0.00 H new ATOM 0 HE2 PHE A 10 4.508 1.365 -1.023 1.00 0.00 H new ATOM 0 HZ PHE A 10 5.513 3.325 -2.123 1.00 0.00 H new ATOM 121 N THR A 11 6.515 -0.134 3.880 1.00 0.00 N ATOM 122 CA THR A 11 6.552 -1.537 3.534 1.00 0.00 C ATOM 123 C THR A 11 5.170 -2.036 3.142 1.00 0.00 C ATOM 124 O THR A 11 4.175 -1.755 3.814 1.00 0.00 O ATOM 125 CB THR A 11 7.133 -2.406 4.675 1.00 0.00 C ATOM 126 OG1 THR A 11 7.281 -3.763 4.229 1.00 0.00 O ATOM 127 CG2 THR A 11 6.254 -2.367 5.919 1.00 0.00 C ATOM 0 H THR A 11 5.839 0.111 4.603 1.00 0.00 H new ATOM 0 HA THR A 11 7.218 -1.633 2.677 1.00 0.00 H new ATOM 0 HB THR A 11 8.107 -1.996 4.941 1.00 0.00 H new ATOM 0 HG1 THR A 11 7.473 -3.772 3.268 1.00 0.00 H new ATOM 0 HG21 THR A 11 6.696 -2.990 6.697 1.00 0.00 H new ATOM 0 HG22 THR A 11 6.175 -1.340 6.277 1.00 0.00 H new ATOM 0 HG23 THR A 11 5.261 -2.743 5.675 1.00 0.00 H new ATOM 135 N VAL A 12 5.116 -2.738 2.027 1.00 0.00 N ATOM 136 CA VAL A 12 3.898 -3.386 1.588 1.00 0.00 C ATOM 137 C VAL A 12 4.056 -4.890 1.742 1.00 0.00 C ATOM 138 O VAL A 12 4.951 -5.483 1.150 1.00 0.00 O ATOM 139 CB VAL A 12 3.574 -3.045 0.115 1.00 0.00 C ATOM 140 CG1 VAL A 12 2.295 -3.731 -0.334 1.00 0.00 C ATOM 141 CG2 VAL A 12 3.472 -1.542 -0.083 1.00 0.00 C ATOM 0 H VAL A 12 5.912 -2.874 1.403 1.00 0.00 H new ATOM 0 HA VAL A 12 3.073 -3.026 2.203 1.00 0.00 H new ATOM 0 HB VAL A 12 4.393 -3.416 -0.502 1.00 0.00 H new ATOM 0 HG11 VAL A 12 2.090 -3.474 -1.373 1.00 0.00 H new ATOM 0 HG12 VAL A 12 2.410 -4.811 -0.243 1.00 0.00 H new ATOM 0 HG13 VAL A 12 1.466 -3.400 0.292 1.00 0.00 H new ATOM 0 HG21 VAL A 12 3.243 -1.327 -1.127 1.00 0.00 H new ATOM 0 HG22 VAL A 12 2.680 -1.144 0.551 1.00 0.00 H new ATOM 0 HG23 VAL A 12 4.420 -1.075 0.185 1.00 0.00 H new ATOM 151 N ILE A 13 3.212 -5.504 2.551 1.00 0.00 N ATOM 152 CA ILE A 13 3.318 -6.933 2.792 1.00 0.00 C ATOM 153 C ILE A 13 2.290 -7.681 1.948 1.00 0.00 C ATOM 154 O ILE A 13 1.113 -7.322 1.908 1.00 0.00 O ATOM 155 CB ILE A 13 3.182 -7.266 4.308 1.00 0.00 C ATOM 156 CG1 ILE A 13 3.504 -8.744 4.604 1.00 0.00 C ATOM 157 CG2 ILE A 13 1.802 -6.901 4.834 1.00 0.00 C ATOM 158 CD1 ILE A 13 2.366 -9.717 4.350 1.00 0.00 C ATOM 0 H ILE A 13 2.451 -5.041 3.049 1.00 0.00 H new ATOM 0 HA ILE A 13 4.311 -7.266 2.490 1.00 0.00 H new ATOM 0 HB ILE A 13 3.918 -6.657 4.833 1.00 0.00 H new ATOM 0 HG12 ILE A 13 4.358 -9.042 3.996 1.00 0.00 H new ATOM 0 HG13 ILE A 13 3.809 -8.831 5.647 1.00 0.00 H new ATOM 0 HG21 ILE A 13 1.740 -7.146 5.894 1.00 0.00 H new ATOM 0 HG22 ILE A 13 1.631 -5.833 4.698 1.00 0.00 H new ATOM 0 HG23 ILE A 13 1.044 -7.462 4.287 1.00 0.00 H new ATOM 0 HD11 ILE A 13 2.693 -10.729 4.588 1.00 0.00 H new ATOM 0 HD12 ILE A 13 1.515 -9.453 4.978 1.00 0.00 H new ATOM 0 HD13 ILE A 13 2.072 -9.668 3.301 1.00 0.00 H new ATOM 170 N THR A 14 2.766 -8.684 1.226 1.00 0.00 N ATOM 171 CA THR A 14 1.916 -9.521 0.390 1.00 0.00 C ATOM 172 C THR A 14 2.400 -10.973 0.484 1.00 0.00 C ATOM 173 O THR A 14 3.136 -11.314 1.409 1.00 0.00 O ATOM 174 CB THR A 14 1.964 -9.039 -1.079 1.00 0.00 C ATOM 175 OG1 THR A 14 2.316 -7.653 -1.118 1.00 0.00 O ATOM 176 CG2 THR A 14 0.615 -9.219 -1.763 1.00 0.00 C ATOM 0 H THR A 14 3.753 -8.941 1.202 1.00 0.00 H new ATOM 0 HA THR A 14 0.885 -9.454 0.738 1.00 0.00 H new ATOM 0 HB THR A 14 2.708 -9.637 -1.604 1.00 0.00 H new ATOM 0 HG1 THR A 14 2.347 -7.350 -2.049 1.00 0.00 H new ATOM 0 HG21 THR A 14 0.681 -8.871 -2.794 1.00 0.00 H new ATOM 0 HG22 THR A 14 0.340 -10.274 -1.753 1.00 0.00 H new ATOM 0 HG23 THR A 14 -0.142 -8.641 -1.233 1.00 0.00 H new ATOM 184 N ASP A 15 1.992 -11.826 -0.456 1.00 0.00 N ATOM 185 CA ASP A 15 2.456 -13.217 -0.497 1.00 0.00 C ATOM 186 C ASP A 15 3.969 -13.271 -0.673 1.00 0.00 C ATOM 187 O ASP A 15 4.629 -14.219 -0.249 1.00 0.00 O ATOM 188 CB ASP A 15 1.787 -13.978 -1.645 1.00 0.00 C ATOM 189 CG ASP A 15 0.277 -13.975 -1.554 1.00 0.00 C ATOM 190 OD1 ASP A 15 -0.328 -12.918 -1.820 1.00 0.00 O ATOM 191 OD2 ASP A 15 -0.309 -15.030 -1.242 1.00 0.00 O ATOM 0 H ASP A 15 1.340 -11.580 -1.201 1.00 0.00 H new ATOM 0 HA ASP A 15 2.186 -13.687 0.449 1.00 0.00 H new ATOM 0 HB2 ASP A 15 2.089 -13.534 -2.593 1.00 0.00 H new ATOM 0 HB3 ASP A 15 2.144 -15.008 -1.648 1.00 0.00 H new ATOM 196 N ASP A 16 4.503 -12.230 -1.303 1.00 0.00 N ATOM 197 CA ASP A 16 5.940 -12.095 -1.532 1.00 0.00 C ATOM 198 C ASP A 16 6.657 -11.718 -0.233 1.00 0.00 C ATOM 199 O ASP A 16 7.885 -11.749 -0.147 1.00 0.00 O ATOM 200 CB ASP A 16 6.177 -11.027 -2.613 1.00 0.00 C ATOM 201 CG ASP A 16 7.645 -10.760 -2.901 1.00 0.00 C ATOM 202 OD1 ASP A 16 8.327 -11.661 -3.434 1.00 0.00 O ATOM 203 OD2 ASP A 16 8.111 -9.631 -2.624 1.00 0.00 O ATOM 0 H ASP A 16 3.952 -11.454 -1.670 1.00 0.00 H new ATOM 0 HA ASP A 16 6.345 -13.048 -1.872 1.00 0.00 H new ATOM 0 HB2 ASP A 16 5.687 -11.341 -3.535 1.00 0.00 H new ATOM 0 HB3 ASP A 16 5.703 -10.097 -2.301 1.00 0.00 H new ATOM 208 N GLY A 17 5.874 -11.394 0.787 1.00 0.00 N ATOM 209 CA GLY A 17 6.428 -10.974 2.055 1.00 0.00 C ATOM 210 C GLY A 17 6.392 -9.470 2.202 1.00 0.00 C ATOM 211 O GLY A 17 5.669 -8.790 1.470 1.00 0.00 O ATOM 0 H GLY A 17 4.855 -11.416 0.756 1.00 0.00 H new ATOM 0 HA2 GLY A 17 5.868 -11.434 2.869 1.00 0.00 H new ATOM 0 HA3 GLY A 17 7.457 -11.325 2.138 1.00 0.00 H new ATOM 215 N LYS A 18 7.156 -8.949 3.148 1.00 0.00 N ATOM 216 CA LYS A 18 7.275 -7.512 3.322 1.00 0.00 C ATOM 217 C LYS A 18 8.188 -6.925 2.260 1.00 0.00 C ATOM 218 O LYS A 18 9.367 -7.277 2.169 1.00 0.00 O ATOM 219 CB LYS A 18 7.803 -7.167 4.715 1.00 0.00 C ATOM 220 CG LYS A 18 6.772 -7.338 5.815 1.00 0.00 C ATOM 221 CD LYS A 18 7.336 -6.952 7.174 1.00 0.00 C ATOM 222 CE LYS A 18 6.253 -6.930 8.236 1.00 0.00 C ATOM 223 NZ LYS A 18 6.800 -6.630 9.586 1.00 0.00 N ATOM 0 H LYS A 18 7.704 -9.501 3.808 1.00 0.00 H new ATOM 0 HA LYS A 18 6.281 -7.078 3.216 1.00 0.00 H new ATOM 0 HB2 LYS A 18 8.664 -7.798 4.934 1.00 0.00 H new ATOM 0 HB3 LYS A 18 8.155 -6.135 4.716 1.00 0.00 H new ATOM 0 HG2 LYS A 18 5.899 -6.724 5.595 1.00 0.00 H new ATOM 0 HG3 LYS A 18 6.435 -8.374 5.841 1.00 0.00 H new ATOM 0 HD2 LYS A 18 8.115 -7.659 7.461 1.00 0.00 H new ATOM 0 HD3 LYS A 18 7.805 -5.970 7.110 1.00 0.00 H new ATOM 0 HE2 LYS A 18 5.504 -6.182 7.974 1.00 0.00 H new ATOM 0 HE3 LYS A 18 5.746 -7.895 8.257 1.00 0.00 H new ATOM 0 HZ1 LYS A 18 6.026 -6.625 10.281 1.00 0.00 H new ATOM 0 HZ2 LYS A 18 7.496 -7.357 9.848 1.00 0.00 H new ATOM 0 HZ3 LYS A 18 7.261 -5.698 9.574 1.00 0.00 H new ATOM 237 N LYS A 19 7.634 -6.039 1.456 1.00 0.00 N ATOM 238 CA LYS A 19 8.375 -5.392 0.389 1.00 0.00 C ATOM 239 C LYS A 19 8.745 -3.979 0.822 1.00 0.00 C ATOM 240 O LYS A 19 7.873 -3.182 1.167 1.00 0.00 O ATOM 241 CB LYS A 19 7.519 -5.348 -0.882 1.00 0.00 C ATOM 242 CG LYS A 19 6.842 -6.673 -1.211 1.00 0.00 C ATOM 243 CD LYS A 19 5.795 -6.510 -2.304 1.00 0.00 C ATOM 244 CE LYS A 19 6.424 -6.404 -3.682 1.00 0.00 C ATOM 245 NZ LYS A 19 6.862 -7.729 -4.195 1.00 0.00 N ATOM 0 H LYS A 19 6.659 -5.747 1.523 1.00 0.00 H new ATOM 0 HA LYS A 19 9.285 -5.954 0.179 1.00 0.00 H new ATOM 0 HB2 LYS A 19 6.756 -4.578 -0.769 1.00 0.00 H new ATOM 0 HB3 LYS A 19 8.147 -5.053 -1.722 1.00 0.00 H new ATOM 0 HG2 LYS A 19 7.592 -7.397 -1.530 1.00 0.00 H new ATOM 0 HG3 LYS A 19 6.372 -7.075 -0.313 1.00 0.00 H new ATOM 0 HD2 LYS A 19 5.112 -7.359 -2.281 1.00 0.00 H new ATOM 0 HD3 LYS A 19 5.201 -5.618 -2.107 1.00 0.00 H new ATOM 0 HE2 LYS A 19 5.707 -5.965 -4.376 1.00 0.00 H new ATOM 0 HE3 LYS A 19 7.280 -5.730 -3.640 1.00 0.00 H new ATOM 0 HZ1 LYS A 19 7.683 -7.605 -4.821 1.00 0.00 H new ATOM 0 HZ2 LYS A 19 7.126 -8.341 -3.396 1.00 0.00 H new ATOM 0 HZ3 LYS A 19 6.084 -8.170 -4.727 1.00 0.00 H new ATOM 259 N ILE A 20 10.035 -3.683 0.831 1.00 0.00 N ATOM 260 CA ILE A 20 10.515 -2.380 1.267 1.00 0.00 C ATOM 261 C ILE A 20 10.834 -1.491 0.073 1.00 0.00 C ATOM 262 O ILE A 20 11.654 -1.841 -0.779 1.00 0.00 O ATOM 263 CB ILE A 20 11.765 -2.509 2.172 1.00 0.00 C ATOM 264 CG1 ILE A 20 11.371 -3.071 3.541 1.00 0.00 C ATOM 265 CG2 ILE A 20 12.473 -1.166 2.331 1.00 0.00 C ATOM 266 CD1 ILE A 20 10.458 -2.155 4.333 1.00 0.00 C ATOM 0 H ILE A 20 10.770 -4.328 0.541 1.00 0.00 H new ATOM 0 HA ILE A 20 9.715 -1.921 1.848 1.00 0.00 H new ATOM 0 HB ILE A 20 12.460 -3.199 1.693 1.00 0.00 H new ATOM 0 HG12 ILE A 20 10.876 -4.032 3.401 1.00 0.00 H new ATOM 0 HG13 ILE A 20 12.275 -3.260 4.121 1.00 0.00 H new ATOM 0 HG21 ILE A 20 13.346 -1.289 2.971 1.00 0.00 H new ATOM 0 HG22 ILE A 20 12.788 -0.803 1.353 1.00 0.00 H new ATOM 0 HG23 ILE A 20 11.790 -0.446 2.782 1.00 0.00 H new ATOM 0 HD11 ILE A 20 10.221 -2.618 5.291 1.00 0.00 H new ATOM 0 HD12 ILE A 20 10.958 -1.202 4.504 1.00 0.00 H new ATOM 0 HD13 ILE A 20 9.538 -1.986 3.774 1.00 0.00 H new ATOM 278 N LEU A 21 10.161 -0.354 0.006 1.00 0.00 N ATOM 279 CA LEU A 21 10.413 0.621 -1.040 1.00 0.00 C ATOM 280 C LEU A 21 10.258 2.032 -0.487 1.00 0.00 C ATOM 281 O LEU A 21 9.384 2.292 0.346 1.00 0.00 O ATOM 282 CB LEU A 21 9.481 0.407 -2.250 1.00 0.00 C ATOM 283 CG LEU A 21 7.978 0.591 -1.999 1.00 0.00 C ATOM 284 CD1 LEU A 21 7.247 0.722 -3.324 1.00 0.00 C ATOM 285 CD2 LEU A 21 7.407 -0.576 -1.204 1.00 0.00 C ATOM 0 H LEU A 21 9.433 -0.084 0.667 1.00 0.00 H new ATOM 0 HA LEU A 21 11.437 0.486 -1.388 1.00 0.00 H new ATOM 0 HB2 LEU A 21 9.782 1.097 -3.038 1.00 0.00 H new ATOM 0 HB3 LEU A 21 9.642 -0.602 -2.630 1.00 0.00 H new ATOM 0 HG LEU A 21 7.838 1.500 -1.415 1.00 0.00 H new ATOM 0 HD11 LEU A 21 6.181 0.852 -3.140 1.00 0.00 H new ATOM 0 HD12 LEU A 21 7.630 1.586 -3.867 1.00 0.00 H new ATOM 0 HD13 LEU A 21 7.405 -0.178 -3.917 1.00 0.00 H new ATOM 0 HD21 LEU A 21 6.341 -0.418 -1.041 1.00 0.00 H new ATOM 0 HD22 LEU A 21 7.556 -1.502 -1.759 1.00 0.00 H new ATOM 0 HD23 LEU A 21 7.915 -0.644 -0.242 1.00 0.00 H new ATOM 297 N GLU A 22 11.121 2.935 -0.924 1.00 0.00 N ATOM 298 CA GLU A 22 11.048 4.317 -0.486 1.00 0.00 C ATOM 299 C GLU A 22 10.873 5.253 -1.677 1.00 0.00 C ATOM 300 O GLU A 22 11.478 5.065 -2.731 1.00 0.00 O ATOM 301 CB GLU A 22 12.279 4.700 0.345 1.00 0.00 C ATOM 302 CG GLU A 22 13.610 4.293 -0.265 1.00 0.00 C ATOM 303 CD GLU A 22 14.786 4.842 0.516 1.00 0.00 C ATOM 304 OE1 GLU A 22 15.116 4.290 1.589 1.00 0.00 O ATOM 305 OE2 GLU A 22 15.377 5.847 0.068 1.00 0.00 O ATOM 0 H GLU A 22 11.877 2.736 -1.579 1.00 0.00 H new ATOM 0 HA GLU A 22 10.173 4.422 0.155 1.00 0.00 H new ATOM 0 HB2 GLU A 22 12.278 5.780 0.494 1.00 0.00 H new ATOM 0 HB3 GLU A 22 12.192 4.243 1.330 1.00 0.00 H new ATOM 0 HG2 GLU A 22 13.675 3.205 -0.300 1.00 0.00 H new ATOM 0 HG3 GLU A 22 13.661 4.649 -1.294 1.00 0.00 H new ATOM 312 N SER A 23 10.021 6.248 -1.499 1.00 0.00 N ATOM 313 CA SER A 23 9.692 7.189 -2.555 1.00 0.00 C ATOM 314 C SER A 23 10.070 8.600 -2.114 1.00 0.00 C ATOM 315 O SER A 23 9.731 9.022 -1.006 1.00 0.00 O ATOM 316 CB SER A 23 8.193 7.101 -2.867 1.00 0.00 C ATOM 317 OG SER A 23 7.852 7.802 -4.051 1.00 0.00 O ATOM 0 H SER A 23 9.538 6.426 -0.618 1.00 0.00 H new ATOM 0 HA SER A 23 10.251 6.945 -3.458 1.00 0.00 H new ATOM 0 HB2 SER A 23 7.906 6.055 -2.970 1.00 0.00 H new ATOM 0 HB3 SER A 23 7.625 7.506 -2.030 1.00 0.00 H new ATOM 0 HG SER A 23 6.889 7.720 -4.214 1.00 0.00 H new ATOM 323 N GLY A 24 10.781 9.317 -2.976 1.00 0.00 N ATOM 324 CA GLY A 24 11.237 10.656 -2.646 1.00 0.00 C ATOM 325 C GLY A 24 10.095 11.630 -2.425 1.00 0.00 C ATOM 326 O GLY A 24 10.214 12.565 -1.632 1.00 0.00 O ATOM 0 H GLY A 24 11.052 8.993 -3.904 1.00 0.00 H new ATOM 0 HA2 GLY A 24 11.851 10.614 -1.747 1.00 0.00 H new ATOM 0 HA3 GLY A 24 11.873 11.026 -3.450 1.00 0.00 H new ATOM 330 N ALA A 25 8.997 11.426 -3.133 1.00 0.00 N ATOM 331 CA ALA A 25 7.829 12.278 -2.985 1.00 0.00 C ATOM 332 C ALA A 25 6.721 11.545 -2.237 1.00 0.00 C ATOM 333 O ALA A 25 6.315 10.453 -2.634 1.00 0.00 O ATOM 334 CB ALA A 25 7.334 12.742 -4.348 1.00 0.00 C ATOM 0 H ALA A 25 8.890 10.677 -3.817 1.00 0.00 H new ATOM 0 HA ALA A 25 8.114 13.154 -2.403 1.00 0.00 H new ATOM 0 HB1 ALA A 25 6.459 13.379 -4.220 1.00 0.00 H new ATOM 0 HB2 ALA A 25 8.122 13.304 -4.849 1.00 0.00 H new ATOM 0 HB3 ALA A 25 7.066 11.875 -4.952 1.00 0.00 H new ATOM 340 N PRO A 26 6.241 12.123 -1.125 1.00 0.00 N ATOM 341 CA PRO A 26 5.116 11.570 -0.362 1.00 0.00 C ATOM 342 C PRO A 26 3.829 11.564 -1.185 1.00 0.00 C ATOM 343 O PRO A 26 3.263 12.617 -1.484 1.00 0.00 O ATOM 344 CB PRO A 26 4.991 12.514 0.841 1.00 0.00 C ATOM 345 CG PRO A 26 6.293 13.237 0.906 1.00 0.00 C ATOM 346 CD PRO A 26 6.763 13.353 -0.513 1.00 0.00 C ATOM 0 HA PRO A 26 5.281 10.532 -0.074 1.00 0.00 H new ATOM 0 HB2 PRO A 26 4.161 13.208 0.712 1.00 0.00 H new ATOM 0 HB3 PRO A 26 4.802 11.959 1.760 1.00 0.00 H new ATOM 0 HG2 PRO A 26 6.173 14.220 1.360 1.00 0.00 H new ATOM 0 HG3 PRO A 26 7.014 12.691 1.514 1.00 0.00 H new ATOM 0 HD2 PRO A 26 6.370 14.246 -0.999 1.00 0.00 H new ATOM 0 HD3 PRO A 26 7.850 13.408 -0.577 1.00 0.00 H new ATOM 354 N ARG A 27 3.375 10.373 -1.547 1.00 0.00 N ATOM 355 CA ARG A 27 2.271 10.222 -2.484 1.00 0.00 C ATOM 356 C ARG A 27 1.083 9.510 -1.849 1.00 0.00 C ATOM 357 O ARG A 27 1.135 9.087 -0.692 1.00 0.00 O ATOM 358 CB ARG A 27 2.736 9.456 -3.726 1.00 0.00 C ATOM 359 CG ARG A 27 3.769 10.202 -4.555 1.00 0.00 C ATOM 360 CD ARG A 27 3.187 11.457 -5.185 1.00 0.00 C ATOM 361 NE ARG A 27 2.127 11.141 -6.140 1.00 0.00 N ATOM 362 CZ ARG A 27 2.152 11.495 -7.425 1.00 0.00 C ATOM 363 NH1 ARG A 27 3.116 12.285 -7.882 1.00 0.00 N ATOM 364 NH2 ARG A 27 1.190 11.087 -8.242 1.00 0.00 N ATOM 0 H ARG A 27 3.757 9.492 -1.204 1.00 0.00 H new ATOM 0 HA ARG A 27 1.945 11.221 -2.772 1.00 0.00 H new ATOM 0 HB2 ARG A 27 3.155 8.499 -3.416 1.00 0.00 H new ATOM 0 HB3 ARG A 27 1.871 9.237 -4.352 1.00 0.00 H new ATOM 0 HG2 ARG A 27 4.616 10.471 -3.924 1.00 0.00 H new ATOM 0 HG3 ARG A 27 4.150 9.546 -5.337 1.00 0.00 H new ATOM 0 HD2 ARG A 27 2.791 12.106 -4.404 1.00 0.00 H new ATOM 0 HD3 ARG A 27 3.978 12.011 -5.690 1.00 0.00 H new ATOM 0 HE ARG A 27 1.319 10.618 -5.803 1.00 0.00 H new ATOM 0 HH11 ARG A 27 3.841 12.623 -7.249 1.00 0.00 H new ATOM 0 HH12 ARG A 27 3.132 12.554 -8.866 1.00 0.00 H new ATOM 0 HH21 ARG A 27 0.433 10.503 -7.887 1.00 0.00 H new ATOM 0 HH22 ARG A 27 1.208 11.357 -9.225 1.00 0.00 H new ATOM 378 N ARG A 28 0.019 9.389 -2.621 1.00 0.00 N ATOM 379 CA ARG A 28 -1.207 8.752 -2.181 1.00 0.00 C ATOM 380 C ARG A 28 -1.159 7.256 -2.494 1.00 0.00 C ATOM 381 O ARG A 28 -0.394 6.830 -3.363 1.00 0.00 O ATOM 382 CB ARG A 28 -2.386 9.438 -2.884 1.00 0.00 C ATOM 383 CG ARG A 28 -3.749 8.806 -2.655 1.00 0.00 C ATOM 384 CD ARG A 28 -4.850 9.628 -3.312 1.00 0.00 C ATOM 385 NE ARG A 28 -4.521 9.982 -4.695 1.00 0.00 N ATOM 386 CZ ARG A 28 -5.423 10.130 -5.667 1.00 0.00 C ATOM 387 NH1 ARG A 28 -6.715 9.995 -5.407 1.00 0.00 N ATOM 388 NH2 ARG A 28 -5.028 10.440 -6.896 1.00 0.00 N ATOM 0 H ARG A 28 -0.018 9.734 -3.580 1.00 0.00 H new ATOM 0 HA ARG A 28 -1.328 8.855 -1.103 1.00 0.00 H new ATOM 0 HB2 ARG A 28 -2.427 10.476 -2.554 1.00 0.00 H new ATOM 0 HB3 ARG A 28 -2.188 9.452 -3.956 1.00 0.00 H new ATOM 0 HG2 ARG A 28 -3.757 7.793 -3.058 1.00 0.00 H new ATOM 0 HG3 ARG A 28 -3.941 8.724 -1.585 1.00 0.00 H new ATOM 0 HD2 ARG A 28 -5.783 9.064 -3.294 1.00 0.00 H new ATOM 0 HD3 ARG A 28 -5.016 10.538 -2.735 1.00 0.00 H new ATOM 0 HE ARG A 28 -3.539 10.125 -4.930 1.00 0.00 H new ATOM 0 HH11 ARG A 28 -7.025 9.777 -4.460 1.00 0.00 H new ATOM 0 HH12 ARG A 28 -7.400 10.109 -6.154 1.00 0.00 H new ATOM 0 HH21 ARG A 28 -4.036 10.565 -7.097 1.00 0.00 H new ATOM 0 HH22 ARG A 28 -5.717 10.553 -7.640 1.00 0.00 H new ATOM 402 N ILE A 29 -1.957 6.461 -1.774 1.00 0.00 N ATOM 403 CA ILE A 29 -2.039 5.018 -2.012 1.00 0.00 C ATOM 404 C ILE A 29 -2.270 4.738 -3.494 1.00 0.00 C ATOM 405 O ILE A 29 -1.574 3.921 -4.098 1.00 0.00 O ATOM 406 CB ILE A 29 -3.184 4.368 -1.190 1.00 0.00 C ATOM 407 CG1 ILE A 29 -2.874 4.397 0.313 1.00 0.00 C ATOM 408 CG2 ILE A 29 -3.436 2.936 -1.649 1.00 0.00 C ATOM 409 CD1 ILE A 29 -1.702 3.523 0.714 1.00 0.00 C ATOM 0 H ILE A 29 -2.557 6.795 -1.019 1.00 0.00 H new ATOM 0 HA ILE A 29 -1.092 4.583 -1.694 1.00 0.00 H new ATOM 0 HB ILE A 29 -4.087 4.953 -1.363 1.00 0.00 H new ATOM 0 HG12 ILE A 29 -2.668 5.425 0.612 1.00 0.00 H new ATOM 0 HG13 ILE A 29 -3.759 4.077 0.863 1.00 0.00 H new ATOM 0 HG21 ILE A 29 -4.242 2.501 -1.059 1.00 0.00 H new ATOM 0 HG22 ILE A 29 -3.717 2.936 -2.702 1.00 0.00 H new ATOM 0 HG23 ILE A 29 -2.529 2.346 -1.515 1.00 0.00 H new ATOM 0 HD11 ILE A 29 -1.545 3.596 1.790 1.00 0.00 H new ATOM 0 HD12 ILE A 29 -1.913 2.487 0.448 1.00 0.00 H new ATOM 0 HD13 ILE A 29 -0.805 3.856 0.193 1.00 0.00 H new ATOM 421 N LYS A 30 -3.225 5.456 -4.073 1.00 0.00 N ATOM 422 CA LYS A 30 -3.621 5.260 -5.461 1.00 0.00 C ATOM 423 C LYS A 30 -2.464 5.482 -6.429 1.00 0.00 C ATOM 424 O LYS A 30 -2.427 4.876 -7.495 1.00 0.00 O ATOM 425 CB LYS A 30 -4.763 6.210 -5.801 1.00 0.00 C ATOM 426 CG LYS A 30 -5.425 5.920 -7.130 1.00 0.00 C ATOM 427 CD LYS A 30 -6.574 6.876 -7.390 1.00 0.00 C ATOM 428 CE LYS A 30 -7.425 6.407 -8.551 1.00 0.00 C ATOM 429 NZ LYS A 30 -8.008 5.068 -8.288 1.00 0.00 N ATOM 0 H LYS A 30 -3.746 6.190 -3.593 1.00 0.00 H new ATOM 0 HA LYS A 30 -3.943 4.224 -5.570 1.00 0.00 H new ATOM 0 HB2 LYS A 30 -5.514 6.157 -5.013 1.00 0.00 H new ATOM 0 HB3 LYS A 30 -4.383 7.231 -5.811 1.00 0.00 H new ATOM 0 HG2 LYS A 30 -4.691 6.003 -7.931 1.00 0.00 H new ATOM 0 HG3 LYS A 30 -5.793 4.894 -7.140 1.00 0.00 H new ATOM 0 HD2 LYS A 30 -7.190 6.960 -6.495 1.00 0.00 H new ATOM 0 HD3 LYS A 30 -6.182 7.871 -7.602 1.00 0.00 H new ATOM 0 HE2 LYS A 30 -8.225 7.125 -8.731 1.00 0.00 H new ATOM 0 HE3 LYS A 30 -6.820 6.371 -9.457 1.00 0.00 H new ATOM 0 HZ1 LYS A 30 -8.957 5.013 -8.711 1.00 0.00 H new ATOM 0 HZ2 LYS A 30 -7.399 4.336 -8.707 1.00 0.00 H new ATOM 0 HZ3 LYS A 30 -8.077 4.915 -7.262 1.00 0.00 H new ATOM 443 N ASP A 31 -1.524 6.344 -6.064 1.00 0.00 N ATOM 444 CA ASP A 31 -0.389 6.637 -6.937 1.00 0.00 C ATOM 445 C ASP A 31 0.473 5.397 -7.119 1.00 0.00 C ATOM 446 O ASP A 31 0.617 4.882 -8.225 1.00 0.00 O ATOM 447 CB ASP A 31 0.476 7.767 -6.376 1.00 0.00 C ATOM 448 CG ASP A 31 -0.234 9.103 -6.320 1.00 0.00 C ATOM 449 OD1 ASP A 31 -0.820 9.527 -7.334 1.00 0.00 O ATOM 450 OD2 ASP A 31 -0.162 9.767 -5.267 1.00 0.00 O ATOM 0 H ASP A 31 -1.522 6.850 -5.178 1.00 0.00 H new ATOM 0 HA ASP A 31 -0.794 6.952 -7.899 1.00 0.00 H new ATOM 0 HB2 ASP A 31 0.805 7.497 -5.372 1.00 0.00 H new ATOM 0 HB3 ASP A 31 1.372 7.866 -6.989 1.00 0.00 H new ATOM 455 N VAL A 32 1.027 4.909 -6.017 1.00 0.00 N ATOM 456 CA VAL A 32 1.890 3.736 -6.049 1.00 0.00 C ATOM 457 C VAL A 32 1.103 2.504 -6.482 1.00 0.00 C ATOM 458 O VAL A 32 1.597 1.674 -7.252 1.00 0.00 O ATOM 459 CB VAL A 32 2.545 3.486 -4.671 1.00 0.00 C ATOM 460 CG1 VAL A 32 3.441 2.254 -4.705 1.00 0.00 C ATOM 461 CG2 VAL A 32 3.336 4.710 -4.235 1.00 0.00 C ATOM 0 H VAL A 32 0.894 5.308 -5.088 1.00 0.00 H new ATOM 0 HA VAL A 32 2.680 3.926 -6.775 1.00 0.00 H new ATOM 0 HB VAL A 32 1.753 3.303 -3.945 1.00 0.00 H new ATOM 0 HG11 VAL A 32 3.888 2.102 -3.723 1.00 0.00 H new ATOM 0 HG12 VAL A 32 2.847 1.380 -4.972 1.00 0.00 H new ATOM 0 HG13 VAL A 32 4.229 2.397 -5.444 1.00 0.00 H new ATOM 0 HG21 VAL A 32 3.792 4.521 -3.263 1.00 0.00 H new ATOM 0 HG22 VAL A 32 4.116 4.919 -4.967 1.00 0.00 H new ATOM 0 HG23 VAL A 32 2.668 5.568 -4.161 1.00 0.00 H new ATOM 471 N LEU A 33 -0.133 2.406 -6.008 1.00 0.00 N ATOM 472 CA LEU A 33 -1.005 1.295 -6.359 1.00 0.00 C ATOM 473 C LEU A 33 -1.293 1.299 -7.857 1.00 0.00 C ATOM 474 O LEU A 33 -1.313 0.251 -8.492 1.00 0.00 O ATOM 475 CB LEU A 33 -2.318 1.387 -5.574 1.00 0.00 C ATOM 476 CG LEU A 33 -3.191 0.129 -5.593 1.00 0.00 C ATOM 477 CD1 LEU A 33 -2.497 -1.010 -4.859 1.00 0.00 C ATOM 478 CD2 LEU A 33 -4.551 0.413 -4.971 1.00 0.00 C ATOM 0 H LEU A 33 -0.555 3.087 -5.376 1.00 0.00 H new ATOM 0 HA LEU A 33 -0.502 0.363 -6.101 1.00 0.00 H new ATOM 0 HB2 LEU A 33 -2.084 1.629 -4.537 1.00 0.00 H new ATOM 0 HB3 LEU A 33 -2.901 2.218 -5.972 1.00 0.00 H new ATOM 0 HG LEU A 33 -3.343 -0.169 -6.630 1.00 0.00 H new ATOM 0 HD11 LEU A 33 -3.130 -1.897 -4.881 1.00 0.00 H new ATOM 0 HD12 LEU A 33 -1.547 -1.230 -5.345 1.00 0.00 H new ATOM 0 HD13 LEU A 33 -2.316 -0.719 -3.824 1.00 0.00 H new ATOM 0 HD21 LEU A 33 -5.158 -0.492 -4.993 1.00 0.00 H new ATOM 0 HD22 LEU A 33 -4.419 0.736 -3.938 1.00 0.00 H new ATOM 0 HD23 LEU A 33 -5.052 1.199 -5.535 1.00 0.00 H new ATOM 490 N GLY A 34 -1.521 2.492 -8.405 1.00 0.00 N ATOM 491 CA GLY A 34 -1.796 2.639 -9.821 1.00 0.00 C ATOM 492 C GLY A 34 -0.579 2.394 -10.701 1.00 0.00 C ATOM 493 O GLY A 34 -0.706 1.864 -11.805 1.00 0.00 O ATOM 0 H GLY A 34 -1.519 3.368 -7.883 1.00 0.00 H new ATOM 0 HA2 GLY A 34 -2.586 1.944 -10.104 1.00 0.00 H new ATOM 0 HA3 GLY A 34 -2.174 3.644 -10.008 1.00 0.00 H new ATOM 497 N GLU A 35 0.601 2.785 -10.225 1.00 0.00 N ATOM 498 CA GLU A 35 1.835 2.598 -10.992 1.00 0.00 C ATOM 499 C GLU A 35 2.152 1.118 -11.179 1.00 0.00 C ATOM 500 O GLU A 35 2.551 0.689 -12.260 1.00 0.00 O ATOM 501 CB GLU A 35 3.005 3.315 -10.319 1.00 0.00 C ATOM 502 CG GLU A 35 2.913 4.831 -10.401 1.00 0.00 C ATOM 503 CD GLU A 35 3.113 5.359 -11.812 1.00 0.00 C ATOM 504 OE1 GLU A 35 2.454 4.858 -12.748 1.00 0.00 O ATOM 505 OE2 GLU A 35 3.921 6.293 -11.986 1.00 0.00 O ATOM 0 H GLU A 35 0.731 3.231 -9.317 1.00 0.00 H new ATOM 0 HA GLU A 35 1.681 3.036 -11.978 1.00 0.00 H new ATOM 0 HB2 GLU A 35 3.050 3.017 -9.271 1.00 0.00 H new ATOM 0 HB3 GLU A 35 3.936 2.989 -10.783 1.00 0.00 H new ATOM 0 HG2 GLU A 35 1.938 5.151 -10.033 1.00 0.00 H new ATOM 0 HG3 GLU A 35 3.662 5.272 -9.744 1.00 0.00 H new ATOM 512 N LEU A 36 1.971 0.338 -10.124 1.00 0.00 N ATOM 513 CA LEU A 36 2.137 -1.110 -10.210 1.00 0.00 C ATOM 514 C LEU A 36 0.835 -1.750 -10.674 1.00 0.00 C ATOM 515 O LEU A 36 0.788 -2.940 -10.987 1.00 0.00 O ATOM 516 CB LEU A 36 2.545 -1.686 -8.853 1.00 0.00 C ATOM 517 CG LEU A 36 3.893 -1.207 -8.313 1.00 0.00 C ATOM 518 CD1 LEU A 36 4.132 -1.752 -6.914 1.00 0.00 C ATOM 519 CD2 LEU A 36 5.016 -1.633 -9.244 1.00 0.00 C ATOM 0 H LEU A 36 1.710 0.680 -9.199 1.00 0.00 H new ATOM 0 HA LEU A 36 2.925 -1.329 -10.930 1.00 0.00 H new ATOM 0 HB2 LEU A 36 1.773 -1.437 -8.125 1.00 0.00 H new ATOM 0 HB3 LEU A 36 2.570 -2.773 -8.932 1.00 0.00 H new ATOM 0 HG LEU A 36 3.876 -0.118 -8.261 1.00 0.00 H new ATOM 0 HD11 LEU A 36 5.096 -1.400 -6.546 1.00 0.00 H new ATOM 0 HD12 LEU A 36 3.341 -1.405 -6.248 1.00 0.00 H new ATOM 0 HD13 LEU A 36 4.130 -2.842 -6.943 1.00 0.00 H new ATOM 0 HD21 LEU A 36 5.970 -1.285 -8.847 1.00 0.00 H new ATOM 0 HD22 LEU A 36 5.031 -2.720 -9.323 1.00 0.00 H new ATOM 0 HD23 LEU A 36 4.854 -1.200 -10.231 1.00 0.00 H new ATOM 531 N GLU A 37 -0.201 -0.917 -10.730 1.00 0.00 N ATOM 532 CA GLU A 37 -1.574 -1.329 -11.014 1.00 0.00 C ATOM 533 C GLU A 37 -1.924 -2.637 -10.317 1.00 0.00 C ATOM 534 O GLU A 37 -2.049 -3.689 -10.950 1.00 0.00 O ATOM 535 CB GLU A 37 -1.847 -1.423 -12.515 1.00 0.00 C ATOM 536 CG GLU A 37 -3.329 -1.569 -12.832 1.00 0.00 C ATOM 537 CD GLU A 37 -3.637 -1.523 -14.312 1.00 0.00 C ATOM 538 OE1 GLU A 37 -3.645 -0.414 -14.886 1.00 0.00 O ATOM 539 OE2 GLU A 37 -3.915 -2.589 -14.900 1.00 0.00 O ATOM 0 H GLU A 37 -0.107 0.087 -10.576 1.00 0.00 H new ATOM 0 HA GLU A 37 -2.222 -0.550 -10.612 1.00 0.00 H new ATOM 0 HB2 GLU A 37 -1.460 -0.531 -13.008 1.00 0.00 H new ATOM 0 HB3 GLU A 37 -1.305 -2.275 -12.927 1.00 0.00 H new ATOM 0 HG2 GLU A 37 -3.688 -2.513 -12.423 1.00 0.00 H new ATOM 0 HG3 GLU A 37 -3.880 -0.774 -12.329 1.00 0.00 H new ATOM 546 N ILE A 38 -2.040 -2.573 -9.003 1.00 0.00 N ATOM 547 CA ILE A 38 -2.480 -3.718 -8.231 1.00 0.00 C ATOM 548 C ILE A 38 -3.987 -3.639 -8.058 1.00 0.00 C ATOM 549 O ILE A 38 -4.496 -2.735 -7.393 1.00 0.00 O ATOM 550 CB ILE A 38 -1.795 -3.786 -6.849 1.00 0.00 C ATOM 551 CG1 ILE A 38 -0.271 -3.804 -7.012 1.00 0.00 C ATOM 552 CG2 ILE A 38 -2.266 -5.016 -6.080 1.00 0.00 C ATOM 553 CD1 ILE A 38 0.486 -3.802 -5.699 1.00 0.00 C ATOM 0 H ILE A 38 -1.836 -1.741 -8.450 1.00 0.00 H new ATOM 0 HA ILE A 38 -2.202 -4.623 -8.771 1.00 0.00 H new ATOM 0 HB ILE A 38 -2.072 -2.899 -6.279 1.00 0.00 H new ATOM 0 HG12 ILE A 38 0.013 -4.688 -7.583 1.00 0.00 H new ATOM 0 HG13 ILE A 38 0.033 -2.936 -7.597 1.00 0.00 H new ATOM 0 HG21 ILE A 38 -1.773 -5.048 -5.108 1.00 0.00 H new ATOM 0 HG22 ILE A 38 -3.345 -4.965 -5.938 1.00 0.00 H new ATOM 0 HG23 ILE A 38 -2.016 -5.915 -6.643 1.00 0.00 H new ATOM 0 HD11 ILE A 38 1.558 -3.815 -5.897 1.00 0.00 H new ATOM 0 HD12 ILE A 38 0.232 -2.905 -5.134 1.00 0.00 H new ATOM 0 HD13 ILE A 38 0.213 -4.684 -5.120 1.00 0.00 H new ATOM 565 N PRO A 39 -4.722 -4.571 -8.678 1.00 0.00 N ATOM 566 CA PRO A 39 -6.181 -4.534 -8.707 1.00 0.00 C ATOM 567 C PRO A 39 -6.800 -4.587 -7.317 1.00 0.00 C ATOM 568 O PRO A 39 -6.867 -5.649 -6.691 1.00 0.00 O ATOM 569 CB PRO A 39 -6.569 -5.778 -9.517 1.00 0.00 C ATOM 570 CG PRO A 39 -5.339 -6.152 -10.268 1.00 0.00 C ATOM 571 CD PRO A 39 -4.187 -5.734 -9.402 1.00 0.00 C ATOM 0 HA PRO A 39 -6.545 -3.602 -9.140 1.00 0.00 H new ATOM 0 HB2 PRO A 39 -6.894 -6.588 -8.864 1.00 0.00 H new ATOM 0 HB3 PRO A 39 -7.395 -5.565 -10.195 1.00 0.00 H new ATOM 0 HG2 PRO A 39 -5.312 -7.224 -10.464 1.00 0.00 H new ATOM 0 HG3 PRO A 39 -5.304 -5.650 -11.235 1.00 0.00 H new ATOM 0 HD2 PRO A 39 -3.885 -6.529 -8.721 1.00 0.00 H new ATOM 0 HD3 PRO A 39 -3.311 -5.472 -9.995 1.00 0.00 H new ATOM 579 N ILE A 40 -7.260 -3.431 -6.847 1.00 0.00 N ATOM 580 CA ILE A 40 -7.971 -3.329 -5.574 1.00 0.00 C ATOM 581 C ILE A 40 -9.298 -4.090 -5.667 1.00 0.00 C ATOM 582 O ILE A 40 -9.973 -4.342 -4.672 1.00 0.00 O ATOM 583 CB ILE A 40 -8.229 -1.841 -5.213 1.00 0.00 C ATOM 584 CG1 ILE A 40 -8.710 -1.699 -3.763 1.00 0.00 C ATOM 585 CG2 ILE A 40 -9.235 -1.220 -6.176 1.00 0.00 C ATOM 586 CD1 ILE A 40 -9.059 -0.277 -3.369 1.00 0.00 C ATOM 0 H ILE A 40 -7.152 -2.542 -7.334 1.00 0.00 H new ATOM 0 HA ILE A 40 -7.358 -3.770 -4.788 1.00 0.00 H new ATOM 0 HB ILE A 40 -7.285 -1.305 -5.308 1.00 0.00 H new ATOM 0 HG12 ILE A 40 -9.586 -2.332 -3.617 1.00 0.00 H new ATOM 0 HG13 ILE A 40 -7.933 -2.071 -3.095 1.00 0.00 H new ATOM 0 HG21 ILE A 40 -9.402 -0.177 -5.906 1.00 0.00 H new ATOM 0 HG22 ILE A 40 -8.846 -1.273 -7.193 1.00 0.00 H new ATOM 0 HG23 ILE A 40 -10.177 -1.765 -6.119 1.00 0.00 H new ATOM 0 HD11 ILE A 40 -9.390 -0.258 -2.331 1.00 0.00 H new ATOM 0 HD12 ILE A 40 -8.180 0.358 -3.481 1.00 0.00 H new ATOM 0 HD13 ILE A 40 -9.858 0.093 -4.012 1.00 0.00 H new ATOM 598 N GLU A 41 -9.635 -4.462 -6.895 1.00 0.00 N ATOM 599 CA GLU A 41 -10.854 -5.192 -7.206 1.00 0.00 C ATOM 600 C GLU A 41 -10.833 -6.603 -6.603 1.00 0.00 C ATOM 601 O GLU A 41 -11.882 -7.182 -6.322 1.00 0.00 O ATOM 602 CB GLU A 41 -10.990 -5.281 -8.729 1.00 0.00 C ATOM 603 CG GLU A 41 -12.364 -5.701 -9.215 1.00 0.00 C ATOM 604 CD GLU A 41 -13.407 -4.630 -8.988 1.00 0.00 C ATOM 605 OE1 GLU A 41 -13.409 -3.631 -9.739 1.00 0.00 O ATOM 606 OE2 GLU A 41 -14.225 -4.780 -8.060 1.00 0.00 O ATOM 0 H GLU A 41 -9.060 -4.262 -7.713 1.00 0.00 H new ATOM 0 HA GLU A 41 -11.703 -4.662 -6.775 1.00 0.00 H new ATOM 0 HB2 GLU A 41 -10.747 -4.310 -9.160 1.00 0.00 H new ATOM 0 HB3 GLU A 41 -10.253 -5.990 -9.106 1.00 0.00 H new ATOM 0 HG2 GLU A 41 -12.314 -5.937 -10.278 1.00 0.00 H new ATOM 0 HG3 GLU A 41 -12.666 -6.613 -8.700 1.00 0.00 H new ATOM 613 N THR A 42 -9.637 -7.151 -6.406 1.00 0.00 N ATOM 614 CA THR A 42 -9.502 -8.527 -5.937 1.00 0.00 C ATOM 615 C THR A 42 -8.634 -8.622 -4.679 1.00 0.00 C ATOM 616 O THR A 42 -8.538 -9.688 -4.065 1.00 0.00 O ATOM 617 CB THR A 42 -8.918 -9.434 -7.050 1.00 0.00 C ATOM 618 OG1 THR A 42 -8.702 -10.767 -6.561 1.00 0.00 O ATOM 619 CG2 THR A 42 -7.607 -8.871 -7.587 1.00 0.00 C ATOM 0 H THR A 42 -8.753 -6.667 -6.563 1.00 0.00 H new ATOM 0 HA THR A 42 -10.503 -8.874 -5.681 1.00 0.00 H new ATOM 0 HB THR A 42 -9.646 -9.464 -7.861 1.00 0.00 H new ATOM 0 HG1 THR A 42 -8.573 -10.742 -5.590 1.00 0.00 H new ATOM 0 HG21 THR A 42 -7.221 -9.528 -8.366 1.00 0.00 H new ATOM 0 HG22 THR A 42 -7.780 -7.878 -8.002 1.00 0.00 H new ATOM 0 HG23 THR A 42 -6.881 -8.803 -6.777 1.00 0.00 H new ATOM 627 N VAL A 43 -8.006 -7.520 -4.286 1.00 0.00 N ATOM 628 CA VAL A 43 -7.112 -7.546 -3.134 1.00 0.00 C ATOM 629 C VAL A 43 -7.581 -6.560 -2.065 1.00 0.00 C ATOM 630 O VAL A 43 -8.199 -5.539 -2.376 1.00 0.00 O ATOM 631 CB VAL A 43 -5.639 -7.248 -3.526 1.00 0.00 C ATOM 632 CG1 VAL A 43 -5.261 -7.970 -4.811 1.00 0.00 C ATOM 633 CG2 VAL A 43 -5.381 -5.760 -3.666 1.00 0.00 C ATOM 0 H VAL A 43 -8.096 -6.611 -4.739 1.00 0.00 H new ATOM 0 HA VAL A 43 -7.146 -8.557 -2.729 1.00 0.00 H new ATOM 0 HB VAL A 43 -5.012 -7.620 -2.716 1.00 0.00 H new ATOM 0 HG11 VAL A 43 -4.225 -7.745 -5.064 1.00 0.00 H new ATOM 0 HG12 VAL A 43 -5.375 -9.045 -4.671 1.00 0.00 H new ATOM 0 HG13 VAL A 43 -5.912 -7.638 -5.620 1.00 0.00 H new ATOM 0 HG21 VAL A 43 -4.339 -5.596 -3.941 1.00 0.00 H new ATOM 0 HG22 VAL A 43 -6.030 -5.349 -4.440 1.00 0.00 H new ATOM 0 HG23 VAL A 43 -5.589 -5.264 -2.718 1.00 0.00 H new ATOM 643 N VAL A 44 -7.308 -6.881 -0.806 1.00 0.00 N ATOM 644 CA VAL A 44 -7.710 -6.029 0.306 1.00 0.00 C ATOM 645 C VAL A 44 -6.542 -5.164 0.767 1.00 0.00 C ATOM 646 O VAL A 44 -5.438 -5.663 0.982 1.00 0.00 O ATOM 647 CB VAL A 44 -8.236 -6.863 1.498 1.00 0.00 C ATOM 648 CG1 VAL A 44 -8.708 -5.961 2.631 1.00 0.00 C ATOM 649 CG2 VAL A 44 -9.357 -7.791 1.049 1.00 0.00 C ATOM 0 H VAL A 44 -6.809 -7.727 -0.530 1.00 0.00 H new ATOM 0 HA VAL A 44 -8.517 -5.389 -0.050 1.00 0.00 H new ATOM 0 HB VAL A 44 -7.413 -7.472 1.873 1.00 0.00 H new ATOM 0 HG11 VAL A 44 -9.073 -6.573 3.456 1.00 0.00 H new ATOM 0 HG12 VAL A 44 -7.877 -5.345 2.976 1.00 0.00 H new ATOM 0 HG13 VAL A 44 -9.512 -5.318 2.273 1.00 0.00 H new ATOM 0 HG21 VAL A 44 -9.714 -8.369 1.901 1.00 0.00 H new ATOM 0 HG22 VAL A 44 -10.178 -7.200 0.642 1.00 0.00 H new ATOM 0 HG23 VAL A 44 -8.983 -8.469 0.282 1.00 0.00 H new ATOM 659 N VAL A 45 -6.788 -3.869 0.910 1.00 0.00 N ATOM 660 CA VAL A 45 -5.751 -2.941 1.330 1.00 0.00 C ATOM 661 C VAL A 45 -5.923 -2.565 2.800 1.00 0.00 C ATOM 662 O VAL A 45 -6.996 -2.132 3.226 1.00 0.00 O ATOM 663 CB VAL A 45 -5.759 -1.657 0.472 1.00 0.00 C ATOM 664 CG1 VAL A 45 -4.624 -0.725 0.875 1.00 0.00 C ATOM 665 CG2 VAL A 45 -5.668 -1.999 -1.008 1.00 0.00 C ATOM 0 H VAL A 45 -7.697 -3.439 0.741 1.00 0.00 H new ATOM 0 HA VAL A 45 -4.795 -3.446 1.194 1.00 0.00 H new ATOM 0 HB VAL A 45 -6.702 -1.140 0.649 1.00 0.00 H new ATOM 0 HG11 VAL A 45 -4.652 0.172 0.256 1.00 0.00 H new ATOM 0 HG12 VAL A 45 -4.737 -0.446 1.923 1.00 0.00 H new ATOM 0 HG13 VAL A 45 -3.670 -1.233 0.736 1.00 0.00 H new ATOM 0 HG21 VAL A 45 -5.675 -1.080 -1.595 1.00 0.00 H new ATOM 0 HG22 VAL A 45 -4.744 -2.545 -1.199 1.00 0.00 H new ATOM 0 HG23 VAL A 45 -6.520 -2.617 -1.292 1.00 0.00 H new ATOM 675 N LYS A 46 -4.859 -2.738 3.566 1.00 0.00 N ATOM 676 CA LYS A 46 -4.867 -2.426 4.986 1.00 0.00 C ATOM 677 C LYS A 46 -3.730 -1.476 5.342 1.00 0.00 C ATOM 678 O LYS A 46 -2.626 -1.589 4.817 1.00 0.00 O ATOM 679 CB LYS A 46 -4.726 -3.713 5.801 1.00 0.00 C ATOM 680 CG LYS A 46 -6.020 -4.487 5.993 1.00 0.00 C ATOM 681 CD LYS A 46 -5.733 -5.941 6.331 1.00 0.00 C ATOM 682 CE LYS A 46 -6.919 -6.625 6.995 1.00 0.00 C ATOM 683 NZ LYS A 46 -7.032 -6.270 8.436 1.00 0.00 N ATOM 0 H LYS A 46 -3.968 -3.097 3.223 1.00 0.00 H new ATOM 0 HA LYS A 46 -5.814 -1.941 5.222 1.00 0.00 H new ATOM 0 HB2 LYS A 46 -4.000 -4.361 5.309 1.00 0.00 H new ATOM 0 HB3 LYS A 46 -4.318 -3.464 6.781 1.00 0.00 H new ATOM 0 HG2 LYS A 46 -6.606 -4.032 6.791 1.00 0.00 H new ATOM 0 HG3 LYS A 46 -6.621 -4.432 5.085 1.00 0.00 H new ATOM 0 HD2 LYS A 46 -5.470 -6.478 5.420 1.00 0.00 H new ATOM 0 HD3 LYS A 46 -4.869 -5.994 6.993 1.00 0.00 H new ATOM 0 HE2 LYS A 46 -7.836 -6.342 6.479 1.00 0.00 H new ATOM 0 HE3 LYS A 46 -6.817 -7.706 6.895 1.00 0.00 H new ATOM 0 HZ1 LYS A 46 -7.954 -6.586 8.800 1.00 0.00 H new ATOM 0 HZ2 LYS A 46 -6.271 -6.737 8.969 1.00 0.00 H new ATOM 0 HZ3 LYS A 46 -6.951 -5.239 8.547 1.00 0.00 H new ATOM 697 N LYS A 47 -4.016 -0.536 6.220 1.00 0.00 N ATOM 698 CA LYS A 47 -2.999 0.323 6.797 1.00 0.00 C ATOM 699 C LYS A 47 -2.749 -0.083 8.236 1.00 0.00 C ATOM 700 O LYS A 47 -3.558 0.216 9.118 1.00 0.00 O ATOM 701 CB LYS A 47 -3.426 1.789 6.744 1.00 0.00 C ATOM 702 CG LYS A 47 -2.920 2.535 5.524 1.00 0.00 C ATOM 703 CD LYS A 47 -3.528 3.922 5.444 1.00 0.00 C ATOM 704 CE LYS A 47 -2.827 4.780 4.410 1.00 0.00 C ATOM 705 NZ LYS A 47 -1.489 5.225 4.877 1.00 0.00 N ATOM 0 H LYS A 47 -4.960 -0.345 6.555 1.00 0.00 H new ATOM 0 HA LYS A 47 -2.083 0.211 6.217 1.00 0.00 H new ATOM 0 HB2 LYS A 47 -4.515 1.841 6.763 1.00 0.00 H new ATOM 0 HB3 LYS A 47 -3.067 2.294 7.641 1.00 0.00 H new ATOM 0 HG2 LYS A 47 -1.834 2.612 5.565 1.00 0.00 H new ATOM 0 HG3 LYS A 47 -3.166 1.974 4.622 1.00 0.00 H new ATOM 0 HD2 LYS A 47 -4.586 3.842 5.194 1.00 0.00 H new ATOM 0 HD3 LYS A 47 -3.466 4.404 6.420 1.00 0.00 H new ATOM 0 HE2 LYS A 47 -2.720 4.217 3.483 1.00 0.00 H new ATOM 0 HE3 LYS A 47 -3.441 5.652 4.184 1.00 0.00 H new ATOM 0 HZ1 LYS A 47 -1.158 6.012 4.283 1.00 0.00 H new ATOM 0 HZ2 LYS A 47 -1.554 5.541 5.866 1.00 0.00 H new ATOM 0 HZ3 LYS A 47 -0.817 4.434 4.810 1.00 0.00 H new ATOM 719 N ASN A 48 -1.652 -0.801 8.455 1.00 0.00 N ATOM 720 CA ASN A 48 -1.250 -1.247 9.792 1.00 0.00 C ATOM 721 C ASN A 48 -2.324 -2.146 10.423 1.00 0.00 C ATOM 722 O ASN A 48 -2.304 -2.416 11.625 1.00 0.00 O ATOM 723 CB ASN A 48 -0.970 -0.027 10.681 1.00 0.00 C ATOM 724 CG ASN A 48 -0.099 -0.341 11.883 1.00 0.00 C ATOM 725 OD1 ASN A 48 -0.593 -0.677 12.958 1.00 0.00 O ATOM 726 ND2 ASN A 48 1.207 -0.222 11.709 1.00 0.00 N ATOM 0 H ASN A 48 -1.015 -1.092 7.714 1.00 0.00 H new ATOM 0 HA ASN A 48 -0.339 -1.839 9.703 1.00 0.00 H new ATOM 0 HB2 ASN A 48 -0.486 0.745 10.083 1.00 0.00 H new ATOM 0 HB3 ASN A 48 -1.918 0.386 11.027 1.00 0.00 H new ATOM 0 HD21 ASN A 48 1.844 -0.412 12.483 1.00 0.00 H new ATOM 0 HD22 ASN A 48 1.577 0.059 10.801 1.00 0.00 H new ATOM 733 N GLY A 49 -3.253 -2.622 9.599 1.00 0.00 N ATOM 734 CA GLY A 49 -4.315 -3.480 10.090 1.00 0.00 C ATOM 735 C GLY A 49 -5.698 -2.981 9.709 1.00 0.00 C ATOM 736 O GLY A 49 -6.619 -3.775 9.509 1.00 0.00 O ATOM 0 H GLY A 49 -3.289 -2.428 8.598 1.00 0.00 H new ATOM 0 HA2 GLY A 49 -4.175 -4.486 9.695 1.00 0.00 H new ATOM 0 HA3 GLY A 49 -4.246 -3.551 11.175 1.00 0.00 H new ATOM 740 N GLN A 50 -5.849 -1.669 9.579 1.00 0.00 N ATOM 741 CA GLN A 50 -7.157 -1.081 9.300 1.00 0.00 C ATOM 742 C GLN A 50 -7.424 -1.053 7.801 1.00 0.00 C ATOM 743 O GLN A 50 -6.560 -0.670 7.021 1.00 0.00 O ATOM 744 CB GLN A 50 -7.243 0.335 9.876 1.00 0.00 C ATOM 745 CG GLN A 50 -7.091 0.387 11.388 1.00 0.00 C ATOM 746 CD GLN A 50 -8.115 -0.470 12.107 1.00 0.00 C ATOM 747 OE1 GLN A 50 -9.235 -0.661 11.628 1.00 0.00 O ATOM 748 NE2 GLN A 50 -7.736 -1.000 13.258 1.00 0.00 N ATOM 0 H GLN A 50 -5.089 -0.994 9.661 1.00 0.00 H new ATOM 0 HA GLN A 50 -7.917 -1.700 9.777 1.00 0.00 H new ATOM 0 HB2 GLN A 50 -6.468 0.952 9.420 1.00 0.00 H new ATOM 0 HB3 GLN A 50 -8.202 0.773 9.600 1.00 0.00 H new ATOM 0 HG2 GLN A 50 -6.089 0.055 11.660 1.00 0.00 H new ATOM 0 HG3 GLN A 50 -7.187 1.420 11.724 1.00 0.00 H new ATOM 0 HE21 GLN A 50 -6.800 -0.817 13.620 1.00 0.00 H new ATOM 0 HE22 GLN A 50 -8.380 -1.591 13.784 1.00 0.00 H new ATOM 757 N ILE A 51 -8.620 -1.462 7.405 1.00 0.00 N ATOM 758 CA ILE A 51 -8.971 -1.531 5.995 1.00 0.00 C ATOM 759 C ILE A 51 -9.225 -0.127 5.460 1.00 0.00 C ATOM 760 O ILE A 51 -10.114 0.580 5.939 1.00 0.00 O ATOM 761 CB ILE A 51 -10.218 -2.421 5.734 1.00 0.00 C ATOM 762 CG1 ILE A 51 -9.952 -3.883 6.123 1.00 0.00 C ATOM 763 CG2 ILE A 51 -10.637 -2.341 4.272 1.00 0.00 C ATOM 764 CD1 ILE A 51 -9.988 -4.146 7.616 1.00 0.00 C ATOM 0 H ILE A 51 -9.364 -1.751 8.040 1.00 0.00 H new ATOM 0 HA ILE A 51 -8.130 -1.989 5.475 1.00 0.00 H new ATOM 0 HB ILE A 51 -11.028 -2.043 6.357 1.00 0.00 H new ATOM 0 HG12 ILE A 51 -10.693 -4.517 5.636 1.00 0.00 H new ATOM 0 HG13 ILE A 51 -8.976 -4.178 5.737 1.00 0.00 H new ATOM 0 HG21 ILE A 51 -11.512 -2.971 4.109 1.00 0.00 H new ATOM 0 HG22 ILE A 51 -10.881 -1.309 4.019 1.00 0.00 H new ATOM 0 HG23 ILE A 51 -9.819 -2.686 3.640 1.00 0.00 H new ATOM 0 HD11 ILE A 51 -9.791 -5.201 7.804 1.00 0.00 H new ATOM 0 HD12 ILE A 51 -9.228 -3.541 8.110 1.00 0.00 H new ATOM 0 HD13 ILE A 51 -10.971 -3.885 8.008 1.00 0.00 H new ATOM 776 N VAL A 52 -8.434 0.277 4.483 1.00 0.00 N ATOM 777 CA VAL A 52 -8.539 1.611 3.922 1.00 0.00 C ATOM 778 C VAL A 52 -8.803 1.547 2.429 1.00 0.00 C ATOM 779 O VAL A 52 -8.673 0.493 1.805 1.00 0.00 O ATOM 780 CB VAL A 52 -7.260 2.444 4.164 1.00 0.00 C ATOM 781 CG1 VAL A 52 -7.067 2.721 5.646 1.00 0.00 C ATOM 782 CG2 VAL A 52 -6.037 1.739 3.585 1.00 0.00 C ATOM 0 H VAL A 52 -7.709 -0.303 4.060 1.00 0.00 H new ATOM 0 HA VAL A 52 -9.373 2.097 4.428 1.00 0.00 H new ATOM 0 HB VAL A 52 -7.378 3.399 3.652 1.00 0.00 H new ATOM 0 HG11 VAL A 52 -6.161 3.309 5.791 1.00 0.00 H new ATOM 0 HG12 VAL A 52 -7.924 3.276 6.027 1.00 0.00 H new ATOM 0 HG13 VAL A 52 -6.978 1.777 6.184 1.00 0.00 H new ATOM 0 HG21 VAL A 52 -5.148 2.344 3.767 1.00 0.00 H new ATOM 0 HG22 VAL A 52 -5.918 0.766 4.062 1.00 0.00 H new ATOM 0 HG23 VAL A 52 -6.170 1.603 2.512 1.00 0.00 H new ATOM 792 N ILE A 53 -9.184 2.678 1.863 1.00 0.00 N ATOM 793 CA ILE A 53 -9.357 2.784 0.429 1.00 0.00 C ATOM 794 C ILE A 53 -8.113 3.398 -0.198 1.00 0.00 C ATOM 795 O ILE A 53 -7.196 3.826 0.510 1.00 0.00 O ATOM 796 CB ILE A 53 -10.600 3.621 0.054 1.00 0.00 C ATOM 797 CG1 ILE A 53 -10.553 4.992 0.735 1.00 0.00 C ATOM 798 CG2 ILE A 53 -11.873 2.876 0.431 1.00 0.00 C ATOM 799 CD1 ILE A 53 -11.733 5.883 0.398 1.00 0.00 C ATOM 0 H ILE A 53 -9.379 3.537 2.377 1.00 0.00 H new ATOM 0 HA ILE A 53 -9.509 1.777 0.041 1.00 0.00 H new ATOM 0 HB ILE A 53 -10.599 3.778 -1.025 1.00 0.00 H new ATOM 0 HG12 ILE A 53 -10.514 4.850 1.815 1.00 0.00 H new ATOM 0 HG13 ILE A 53 -9.632 5.499 0.447 1.00 0.00 H new ATOM 0 HG21 ILE A 53 -12.741 3.478 0.161 1.00 0.00 H new ATOM 0 HG22 ILE A 53 -11.910 1.926 -0.102 1.00 0.00 H new ATOM 0 HG23 ILE A 53 -11.881 2.690 1.505 1.00 0.00 H new ATOM 0 HD11 ILE A 53 -11.629 6.836 0.917 1.00 0.00 H new ATOM 0 HD12 ILE A 53 -11.762 6.057 -0.678 1.00 0.00 H new ATOM 0 HD13 ILE A 53 -12.657 5.397 0.712 1.00 0.00 H new ATOM 811 N ASP A 54 -8.097 3.467 -1.516 1.00 0.00 N ATOM 812 CA ASP A 54 -6.930 3.933 -2.255 1.00 0.00 C ATOM 813 C ASP A 54 -6.875 5.459 -2.300 1.00 0.00 C ATOM 814 O ASP A 54 -6.084 6.043 -3.041 1.00 0.00 O ATOM 815 CB ASP A 54 -6.959 3.356 -3.675 1.00 0.00 C ATOM 816 CG ASP A 54 -8.145 3.846 -4.488 1.00 0.00 C ATOM 817 OD1 ASP A 54 -9.295 3.689 -4.024 1.00 0.00 O ATOM 818 OD2 ASP A 54 -7.936 4.352 -5.613 1.00 0.00 O ATOM 0 H ASP A 54 -8.887 3.204 -2.106 1.00 0.00 H new ATOM 0 HA ASP A 54 -6.033 3.586 -1.741 1.00 0.00 H new ATOM 0 HB2 ASP A 54 -6.036 3.624 -4.190 1.00 0.00 H new ATOM 0 HB3 ASP A 54 -6.988 2.268 -3.619 1.00 0.00 H new ATOM 823 N GLU A 55 -7.691 6.098 -1.478 1.00 0.00 N ATOM 824 CA GLU A 55 -7.765 7.550 -1.453 1.00 0.00 C ATOM 825 C GLU A 55 -6.825 8.121 -0.391 1.00 0.00 C ATOM 826 O GLU A 55 -6.497 9.308 -0.407 1.00 0.00 O ATOM 827 CB GLU A 55 -9.204 7.989 -1.181 1.00 0.00 C ATOM 828 CG GLU A 55 -9.446 9.472 -1.404 1.00 0.00 C ATOM 829 CD GLU A 55 -9.192 9.891 -2.836 1.00 0.00 C ATOM 830 OE1 GLU A 55 -8.043 10.239 -3.164 1.00 0.00 O ATOM 831 OE2 GLU A 55 -10.145 9.878 -3.642 1.00 0.00 O ATOM 0 H GLU A 55 -8.313 5.633 -0.817 1.00 0.00 H new ATOM 0 HA GLU A 55 -7.452 7.934 -2.424 1.00 0.00 H new ATOM 0 HB2 GLU A 55 -9.875 7.420 -1.825 1.00 0.00 H new ATOM 0 HB3 GLU A 55 -9.462 7.739 -0.152 1.00 0.00 H new ATOM 0 HG2 GLU A 55 -10.474 9.714 -1.135 1.00 0.00 H new ATOM 0 HG3 GLU A 55 -8.799 10.046 -0.740 1.00 0.00 H new ATOM 838 N GLU A 56 -6.374 7.265 0.516 1.00 0.00 N ATOM 839 CA GLU A 56 -5.507 7.695 1.608 1.00 0.00 C ATOM 840 C GLU A 56 -4.075 7.903 1.126 1.00 0.00 C ATOM 841 O GLU A 56 -3.686 7.393 0.078 1.00 0.00 O ATOM 842 CB GLU A 56 -5.539 6.668 2.739 1.00 0.00 C ATOM 843 CG GLU A 56 -6.900 6.546 3.400 1.00 0.00 C ATOM 844 CD GLU A 56 -7.407 7.875 3.918 1.00 0.00 C ATOM 845 OE1 GLU A 56 -6.773 8.440 4.831 1.00 0.00 O ATOM 846 OE2 GLU A 56 -8.444 8.355 3.423 1.00 0.00 O ATOM 0 H GLU A 56 -6.593 6.269 0.518 1.00 0.00 H new ATOM 0 HA GLU A 56 -5.879 8.649 1.981 1.00 0.00 H new ATOM 0 HB2 GLU A 56 -5.245 5.695 2.345 1.00 0.00 H new ATOM 0 HB3 GLU A 56 -4.800 6.943 3.492 1.00 0.00 H new ATOM 0 HG2 GLU A 56 -7.615 6.141 2.684 1.00 0.00 H new ATOM 0 HG3 GLU A 56 -6.839 5.836 4.225 1.00 0.00 H new ATOM 853 N GLU A 57 -3.295 8.653 1.894 1.00 0.00 N ATOM 854 CA GLU A 57 -1.917 8.943 1.523 1.00 0.00 C ATOM 855 C GLU A 57 -0.953 7.951 2.162 1.00 0.00 C ATOM 856 O GLU A 57 -1.303 7.248 3.110 1.00 0.00 O ATOM 857 CB GLU A 57 -1.515 10.368 1.921 1.00 0.00 C ATOM 858 CG GLU A 57 -2.349 11.456 1.266 1.00 0.00 C ATOM 859 CD GLU A 57 -3.462 11.962 2.159 1.00 0.00 C ATOM 860 OE1 GLU A 57 -4.517 11.305 2.236 1.00 0.00 O ATOM 861 OE2 GLU A 57 -3.287 13.032 2.779 1.00 0.00 O ATOM 0 H GLU A 57 -3.593 9.071 2.776 1.00 0.00 H new ATOM 0 HA GLU A 57 -1.857 8.851 0.439 1.00 0.00 H new ATOM 0 HB2 GLU A 57 -1.594 10.467 3.004 1.00 0.00 H new ATOM 0 HB3 GLU A 57 -0.468 10.524 1.663 1.00 0.00 H new ATOM 0 HG2 GLU A 57 -1.701 12.289 0.994 1.00 0.00 H new ATOM 0 HG3 GLU A 57 -2.779 11.071 0.341 1.00 0.00 H new ATOM 868 N ILE A 58 0.261 7.898 1.634 1.00 0.00 N ATOM 869 CA ILE A 58 1.305 7.053 2.190 1.00 0.00 C ATOM 870 C ILE A 58 2.269 7.907 3.003 1.00 0.00 C ATOM 871 O ILE A 58 2.530 9.060 2.654 1.00 0.00 O ATOM 872 CB ILE A 58 2.081 6.307 1.083 1.00 0.00 C ATOM 873 CG1 ILE A 58 1.109 5.574 0.157 1.00 0.00 C ATOM 874 CG2 ILE A 58 3.065 5.323 1.696 1.00 0.00 C ATOM 875 CD1 ILE A 58 1.777 4.843 -0.988 1.00 0.00 C ATOM 0 H ILE A 58 0.548 8.435 0.815 1.00 0.00 H new ATOM 0 HA ILE A 58 0.833 6.308 2.830 1.00 0.00 H new ATOM 0 HB ILE A 58 2.639 7.038 0.498 1.00 0.00 H new ATOM 0 HG12 ILE A 58 0.534 4.858 0.745 1.00 0.00 H new ATOM 0 HG13 ILE A 58 0.400 6.294 -0.251 1.00 0.00 H new ATOM 0 HG21 ILE A 58 3.604 4.805 0.902 1.00 0.00 H new ATOM 0 HG22 ILE A 58 3.774 5.862 2.325 1.00 0.00 H new ATOM 0 HG23 ILE A 58 2.523 4.596 2.301 1.00 0.00 H new ATOM 0 HD11 ILE A 58 1.019 4.350 -1.597 1.00 0.00 H new ATOM 0 HD12 ILE A 58 2.329 5.555 -1.602 1.00 0.00 H new ATOM 0 HD13 ILE A 58 2.465 4.097 -0.591 1.00 0.00 H new ATOM 887 N PHE A 59 2.781 7.357 4.092 1.00 0.00 N ATOM 888 CA PHE A 59 3.656 8.109 4.975 1.00 0.00 C ATOM 889 C PHE A 59 4.932 7.329 5.260 1.00 0.00 C ATOM 890 O PHE A 59 4.965 6.103 5.144 1.00 0.00 O ATOM 891 CB PHE A 59 2.933 8.441 6.283 1.00 0.00 C ATOM 892 CG PHE A 59 1.713 9.300 6.088 1.00 0.00 C ATOM 893 CD1 PHE A 59 1.825 10.679 6.030 1.00 0.00 C ATOM 894 CD2 PHE A 59 0.458 8.728 5.961 1.00 0.00 C ATOM 895 CE1 PHE A 59 0.709 11.471 5.842 1.00 0.00 C ATOM 896 CE2 PHE A 59 -0.661 9.515 5.773 1.00 0.00 C ATOM 897 CZ PHE A 59 -0.535 10.889 5.716 1.00 0.00 C ATOM 0 H PHE A 59 2.606 6.396 4.385 1.00 0.00 H new ATOM 0 HA PHE A 59 3.927 9.041 4.478 1.00 0.00 H new ATOM 0 HB2 PHE A 59 2.640 7.513 6.774 1.00 0.00 H new ATOM 0 HB3 PHE A 59 3.625 8.952 6.953 1.00 0.00 H new ATOM 0 HD1 PHE A 59 2.796 11.141 6.133 1.00 0.00 H new ATOM 0 HD2 PHE A 59 0.353 7.654 6.010 1.00 0.00 H new ATOM 0 HE1 PHE A 59 0.811 12.545 5.794 1.00 0.00 H new ATOM 0 HE2 PHE A 59 -1.633 9.057 5.671 1.00 0.00 H new ATOM 0 HZ PHE A 59 -1.409 11.507 5.573 1.00 0.00 H new ATOM 907 N ASP A 60 5.985 8.052 5.606 1.00 0.00 N ATOM 908 CA ASP A 60 7.251 7.438 5.974 1.00 0.00 C ATOM 909 C ASP A 60 7.104 6.660 7.273 1.00 0.00 C ATOM 910 O ASP A 60 6.909 7.245 8.337 1.00 0.00 O ATOM 911 CB ASP A 60 8.339 8.505 6.118 1.00 0.00 C ATOM 912 CG ASP A 60 9.667 7.921 6.552 1.00 0.00 C ATOM 913 OD1 ASP A 60 10.148 6.979 5.894 1.00 0.00 O ATOM 914 OD2 ASP A 60 10.234 8.400 7.557 1.00 0.00 O ATOM 0 H ASP A 60 5.988 9.071 5.640 1.00 0.00 H new ATOM 0 HA ASP A 60 7.543 6.747 5.183 1.00 0.00 H new ATOM 0 HB2 ASP A 60 8.466 9.021 5.166 1.00 0.00 H new ATOM 0 HB3 ASP A 60 8.018 9.251 6.845 1.00 0.00 H new ATOM 919 N GLY A 61 7.188 5.343 7.175 1.00 0.00 N ATOM 920 CA GLY A 61 7.001 4.500 8.333 1.00 0.00 C ATOM 921 C GLY A 61 5.623 3.871 8.368 1.00 0.00 C ATOM 922 O GLY A 61 5.232 3.284 9.378 1.00 0.00 O ATOM 0 H GLY A 61 7.384 4.842 6.308 1.00 0.00 H new ATOM 0 HA2 GLY A 61 7.757 3.715 8.334 1.00 0.00 H new ATOM 0 HA3 GLY A 61 7.152 5.089 9.237 1.00 0.00 H new ATOM 926 N ASP A 62 4.885 4.004 7.271 1.00 0.00 N ATOM 927 CA ASP A 62 3.544 3.431 7.170 1.00 0.00 C ATOM 928 C ASP A 62 3.614 1.997 6.648 1.00 0.00 C ATOM 929 O ASP A 62 4.484 1.659 5.843 1.00 0.00 O ATOM 930 CB ASP A 62 2.669 4.291 6.249 1.00 0.00 C ATOM 931 CG ASP A 62 1.227 3.818 6.182 1.00 0.00 C ATOM 932 OD1 ASP A 62 0.644 3.516 7.243 1.00 0.00 O ATOM 933 OD2 ASP A 62 0.666 3.767 5.065 1.00 0.00 O ATOM 0 H ASP A 62 5.192 4.504 6.437 1.00 0.00 H new ATOM 0 HA ASP A 62 3.097 3.415 8.164 1.00 0.00 H new ATOM 0 HB2 ASP A 62 2.690 5.323 6.598 1.00 0.00 H new ATOM 0 HB3 ASP A 62 3.094 4.285 5.245 1.00 0.00 H new ATOM 938 N ILE A 63 2.706 1.156 7.118 1.00 0.00 N ATOM 939 CA ILE A 63 2.686 -0.250 6.732 1.00 0.00 C ATOM 940 C ILE A 63 1.429 -0.559 5.927 1.00 0.00 C ATOM 941 O ILE A 63 0.309 -0.454 6.436 1.00 0.00 O ATOM 942 CB ILE A 63 2.767 -1.205 7.958 1.00 0.00 C ATOM 943 CG1 ILE A 63 4.186 -1.256 8.540 1.00 0.00 C ATOM 944 CG2 ILE A 63 2.324 -2.611 7.573 1.00 0.00 C ATOM 945 CD1 ILE A 63 4.644 0.024 9.199 1.00 0.00 C ATOM 0 H ILE A 63 1.969 1.423 7.771 1.00 0.00 H new ATOM 0 HA ILE A 63 3.571 -0.422 6.120 1.00 0.00 H new ATOM 0 HB ILE A 63 2.096 -0.810 8.721 1.00 0.00 H new ATOM 0 HG12 ILE A 63 4.235 -2.063 9.271 1.00 0.00 H new ATOM 0 HG13 ILE A 63 4.883 -1.507 7.741 1.00 0.00 H new ATOM 0 HG21 ILE A 63 2.388 -3.264 8.444 1.00 0.00 H new ATOM 0 HG22 ILE A 63 1.295 -2.583 7.215 1.00 0.00 H new ATOM 0 HG23 ILE A 63 2.972 -2.994 6.784 1.00 0.00 H new ATOM 0 HD11 ILE A 63 5.657 -0.105 9.581 1.00 0.00 H new ATOM 0 HD12 ILE A 63 4.632 0.834 8.469 1.00 0.00 H new ATOM 0 HD13 ILE A 63 3.974 0.269 10.023 1.00 0.00 H new ATOM 957 N ILE A 64 1.621 -0.931 4.672 1.00 0.00 N ATOM 958 CA ILE A 64 0.512 -1.269 3.799 1.00 0.00 C ATOM 959 C ILE A 64 0.399 -2.784 3.679 1.00 0.00 C ATOM 960 O ILE A 64 1.258 -3.436 3.086 1.00 0.00 O ATOM 961 CB ILE A 64 0.661 -0.656 2.380 1.00 0.00 C ATOM 962 CG1 ILE A 64 0.729 0.877 2.431 1.00 0.00 C ATOM 963 CG2 ILE A 64 -0.491 -1.095 1.485 1.00 0.00 C ATOM 964 CD1 ILE A 64 2.081 1.430 2.833 1.00 0.00 C ATOM 0 H ILE A 64 2.539 -1.006 4.235 1.00 0.00 H new ATOM 0 HA ILE A 64 -0.389 -0.849 4.247 1.00 0.00 H new ATOM 0 HB ILE A 64 1.599 -1.022 1.963 1.00 0.00 H new ATOM 0 HG12 ILE A 64 0.465 1.273 1.450 1.00 0.00 H new ATOM 0 HG13 ILE A 64 -0.022 1.239 3.134 1.00 0.00 H new ATOM 0 HG21 ILE A 64 -0.370 -0.656 0.495 1.00 0.00 H new ATOM 0 HG22 ILE A 64 -0.494 -2.182 1.402 1.00 0.00 H new ATOM 0 HG23 ILE A 64 -1.435 -0.762 1.917 1.00 0.00 H new ATOM 0 HD11 ILE A 64 2.040 2.519 2.843 1.00 0.00 H new ATOM 0 HD12 ILE A 64 2.342 1.067 3.827 1.00 0.00 H new ATOM 0 HD13 ILE A 64 2.835 1.102 2.118 1.00 0.00 H new ATOM 976 N GLU A 65 -0.648 -3.341 4.256 1.00 0.00 N ATOM 977 CA GLU A 65 -0.869 -4.773 4.202 1.00 0.00 C ATOM 978 C GLU A 65 -1.839 -5.101 3.077 1.00 0.00 C ATOM 979 O GLU A 65 -3.052 -4.956 3.228 1.00 0.00 O ATOM 980 CB GLU A 65 -1.404 -5.292 5.541 1.00 0.00 C ATOM 981 CG GLU A 65 -0.575 -4.851 6.738 1.00 0.00 C ATOM 982 CD GLU A 65 -1.039 -5.477 8.038 1.00 0.00 C ATOM 983 OE1 GLU A 65 -2.251 -5.419 8.337 1.00 0.00 O ATOM 984 OE2 GLU A 65 -0.189 -6.028 8.771 1.00 0.00 O ATOM 0 H GLU A 65 -1.361 -2.822 4.769 1.00 0.00 H new ATOM 0 HA GLU A 65 0.083 -5.267 4.006 1.00 0.00 H new ATOM 0 HB2 GLU A 65 -2.429 -4.946 5.672 1.00 0.00 H new ATOM 0 HB3 GLU A 65 -1.436 -6.381 5.513 1.00 0.00 H new ATOM 0 HG2 GLU A 65 0.469 -5.112 6.567 1.00 0.00 H new ATOM 0 HG3 GLU A 65 -0.622 -3.766 6.826 1.00 0.00 H new ATOM 991 N VAL A 66 -1.301 -5.501 1.937 1.00 0.00 N ATOM 992 CA VAL A 66 -2.128 -5.873 0.801 1.00 0.00 C ATOM 993 C VAL A 66 -2.402 -7.366 0.830 1.00 0.00 C ATOM 994 O VAL A 66 -1.553 -8.181 0.471 1.00 0.00 O ATOM 995 CB VAL A 66 -1.479 -5.480 -0.544 1.00 0.00 C ATOM 996 CG1 VAL A 66 -2.308 -5.988 -1.717 1.00 0.00 C ATOM 997 CG2 VAL A 66 -1.321 -3.972 -0.629 1.00 0.00 C ATOM 0 H VAL A 66 -0.297 -5.576 1.774 1.00 0.00 H new ATOM 0 HA VAL A 66 -3.066 -5.324 0.883 1.00 0.00 H new ATOM 0 HB VAL A 66 -0.494 -5.944 -0.596 1.00 0.00 H new ATOM 0 HG11 VAL A 66 -1.830 -5.698 -2.653 1.00 0.00 H new ATOM 0 HG12 VAL A 66 -2.381 -7.074 -1.668 1.00 0.00 H new ATOM 0 HG13 VAL A 66 -3.307 -5.555 -1.671 1.00 0.00 H new ATOM 0 HG21 VAL A 66 -0.862 -3.707 -1.582 1.00 0.00 H new ATOM 0 HG22 VAL A 66 -2.300 -3.499 -0.554 1.00 0.00 H new ATOM 0 HG23 VAL A 66 -0.687 -3.626 0.187 1.00 0.00 H new ATOM 1007 N ILE A 67 -3.590 -7.718 1.277 1.00 0.00 N ATOM 1008 CA ILE A 67 -3.966 -9.108 1.412 1.00 0.00 C ATOM 1009 C ILE A 67 -5.000 -9.483 0.366 1.00 0.00 C ATOM 1010 O ILE A 67 -6.181 -9.162 0.495 1.00 0.00 O ATOM 1011 CB ILE A 67 -4.518 -9.409 2.823 1.00 0.00 C ATOM 1012 CG1 ILE A 67 -3.494 -8.998 3.886 1.00 0.00 C ATOM 1013 CG2 ILE A 67 -4.869 -10.888 2.955 1.00 0.00 C ATOM 1014 CD1 ILE A 67 -3.985 -9.169 5.308 1.00 0.00 C ATOM 0 H ILE A 67 -4.315 -7.056 1.554 1.00 0.00 H new ATOM 0 HA ILE A 67 -3.068 -9.707 1.261 1.00 0.00 H new ATOM 0 HB ILE A 67 -5.429 -8.830 2.975 1.00 0.00 H new ATOM 0 HG12 ILE A 67 -2.588 -9.589 3.751 1.00 0.00 H new ATOM 0 HG13 ILE A 67 -3.221 -7.955 3.729 1.00 0.00 H new ATOM 0 HG21 ILE A 67 -5.256 -11.082 3.955 1.00 0.00 H new ATOM 0 HG22 ILE A 67 -5.626 -11.150 2.216 1.00 0.00 H new ATOM 0 HG23 ILE A 67 -3.976 -11.490 2.789 1.00 0.00 H new ATOM 0 HD11 ILE A 67 -3.205 -8.857 6.002 1.00 0.00 H new ATOM 0 HD12 ILE A 67 -4.874 -8.557 5.462 1.00 0.00 H new ATOM 0 HD13 ILE A 67 -4.231 -10.216 5.485 1.00 0.00 H new ATOM 1026 N ARG A 68 -4.544 -10.121 -0.697 1.00 0.00 N ATOM 1027 CA ARG A 68 -5.451 -10.653 -1.698 1.00 0.00 C ATOM 1028 C ARG A 68 -6.076 -11.939 -1.172 1.00 0.00 C ATOM 1029 O ARG A 68 -5.388 -12.785 -0.600 1.00 0.00 O ATOM 1030 CB ARG A 68 -4.731 -10.877 -3.032 1.00 0.00 C ATOM 1031 CG ARG A 68 -3.361 -11.507 -2.897 1.00 0.00 C ATOM 1032 CD ARG A 68 -2.698 -11.706 -4.252 1.00 0.00 C ATOM 1033 NE ARG A 68 -1.358 -12.272 -4.119 1.00 0.00 N ATOM 1034 CZ ARG A 68 -0.488 -12.398 -5.121 1.00 0.00 C ATOM 1035 NH1 ARG A 68 -0.801 -11.996 -6.345 1.00 0.00 N ATOM 1036 NH2 ARG A 68 0.701 -12.940 -4.892 1.00 0.00 N ATOM 0 H ARG A 68 -3.555 -10.283 -0.889 1.00 0.00 H new ATOM 0 HA ARG A 68 -6.244 -9.930 -1.888 1.00 0.00 H new ATOM 0 HB2 ARG A 68 -5.351 -11.513 -3.665 1.00 0.00 H new ATOM 0 HB3 ARG A 68 -4.630 -9.920 -3.543 1.00 0.00 H new ATOM 0 HG2 ARG A 68 -2.730 -10.875 -2.272 1.00 0.00 H new ATOM 0 HG3 ARG A 68 -3.451 -12.468 -2.391 1.00 0.00 H new ATOM 0 HD2 ARG A 68 -3.313 -12.366 -4.865 1.00 0.00 H new ATOM 0 HD3 ARG A 68 -2.639 -10.750 -4.773 1.00 0.00 H new ATOM 0 HE ARG A 68 -1.068 -12.593 -3.195 1.00 0.00 H new ATOM 0 HH11 ARG A 68 -1.716 -11.585 -6.528 1.00 0.00 H new ATOM 0 HH12 ARG A 68 -0.126 -12.098 -7.103 1.00 0.00 H new ATOM 0 HH21 ARG A 68 0.945 -13.257 -3.954 1.00 0.00 H new ATOM 0 HH22 ARG A 68 1.371 -13.039 -5.654 1.00 0.00 H new