USER MOD reduce.3.24.130724 H: found=0, std=0, add=422, rem=0, adj=14 USER MOD reduce.3.24.130724 removed 424 hydrogens (0 hets) USER MOD ----------------------------------------------------------------- USER MOD scores for adjustable sidechains, with "set" totals for H,N and Q USER MOD "o" means original, "f" means flipped, "180deg" is methyl default USER MOD "!" flags a clash with an overlap of 0.40A or greater USER MOD flip categories: "K"=keep, "C"=clashes, "X"=uncertain, "F"=flip USER MOD Set 1.1: A 16 TYR OH : rot -155:sc= 0.673 USER MOD Set 1.2: A 42 MET CE :methyl 170:sc= -0.299 (180deg=-0.535) USER MOD Set 2.1: A 38 ASN : amide:sc= -3.29! C(o=-4.5!,f=-9.8!) USER MOD Set 2.2: A 39 GLN : amide:sc= -1.17 K(o=-4.5,f=-8.6!) USER MOD Single : A 8 SER OG : rot 39:sc= 0.00358 USER MOD Single : A 9 THR OG1 : rot 180:sc= 0 USER MOD Single : A 10 MET CE :methyl -174:sc= -0.0226 (180deg=-0.0288) USER MOD Single : A 11 THR OG1 : rot 148:sc= 0.672 USER MOD Single : A 14 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 17 TYR OH : rot 180:sc= 0 USER MOD Single : A 20 LYS NZ :NH3+ -118:sc= -1.9! (180deg=-4.84!) USER MOD Single : A 22 ASN : amide:sc= -0.353 X(o=-0.35,f=-0.59!) USER MOD Single : A 25 CYS SG : rot 180:sc= -0.236 USER MOD Single : A 27 SER OG : rot 56:sc= 0.387 USER MOD Single : A 28 GLN : amide:sc=-0.000698 K(o=-0.0007,f=-0.86) USER MOD Single : A 33 GLN : amide:sc= -2.53! C(o=-2.5!,f=-5.5!) USER MOD Single : A 40 GLN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 41 ASN :FLIP amide:sc= -0.0459 F(o=-1.2,f=-0.046) USER MOD Single : A 43 CYS SG : rot 180:sc= -0.0554 USER MOD Single : A 46 TYR OH : rot -179:sc= -1.03 USER MOD Single : A 47 GLN : amide:sc= -1.11 K(o=-1.1,f=-1.7) USER MOD Single : A 63 SER OG : rot 180:sc= 0 USER MOD ----------------------------------------------------------------- ATOM 66 N SER A 8 2.547 5.901 -7.507 1.00 0.00 N ATOM 67 CA SER A 8 2.729 6.979 -6.541 1.00 0.00 C ATOM 68 C SER A 8 3.500 6.490 -5.320 1.00 0.00 C ATOM 69 O SER A 8 3.238 5.406 -4.797 1.00 0.00 O ATOM 70 CB SER A 8 1.372 7.541 -6.111 1.00 0.00 C ATOM 71 OG SER A 8 0.738 8.220 -7.181 1.00 0.00 O ATOM 0 HA SER A 8 3.306 7.770 -7.020 1.00 0.00 H new ATOM 0 HB2 SER A 8 0.733 6.730 -5.762 1.00 0.00 H new ATOM 0 HB3 SER A 8 1.507 8.224 -5.272 1.00 0.00 H new ATOM 0 HG SER A 8 0.890 7.729 -8.016 1.00 0.00 H new ATOM 77 N THR A 9 4.455 7.298 -4.868 1.00 0.00 N ATOM 78 CA THR A 9 5.267 6.948 -3.709 1.00 0.00 C ATOM 79 C THR A 9 4.731 7.608 -2.444 1.00 0.00 C ATOM 80 O THR A 9 4.622 8.832 -2.369 1.00 0.00 O ATOM 81 CB THR A 9 6.737 7.363 -3.908 1.00 0.00 C ATOM 82 OG1 THR A 9 7.189 6.961 -5.206 1.00 0.00 O ATOM 83 CG2 THR A 9 7.624 6.739 -2.841 1.00 0.00 C ATOM 0 H THR A 9 4.685 8.199 -5.287 1.00 0.00 H new ATOM 0 HA THR A 9 5.215 5.865 -3.601 1.00 0.00 H new ATOM 0 HB THR A 9 6.800 8.448 -3.822 1.00 0.00 H new ATOM 0 HG1 THR A 9 8.124 7.230 -5.325 1.00 0.00 H new ATOM 0 HG21 THR A 9 8.657 7.046 -3.002 1.00 0.00 H new ATOM 0 HG22 THR A 9 7.296 7.070 -1.856 1.00 0.00 H new ATOM 0 HG23 THR A 9 7.555 5.653 -2.900 1.00 0.00 H new ATOM 91 N MET A 10 4.399 6.790 -1.451 1.00 0.00 N ATOM 92 CA MET A 10 3.876 7.296 -0.187 1.00 0.00 C ATOM 93 C MET A 10 4.785 6.904 0.973 1.00 0.00 C ATOM 94 O MET A 10 5.397 5.836 0.963 1.00 0.00 O ATOM 95 CB MET A 10 2.463 6.763 0.055 1.00 0.00 C ATOM 96 CG MET A 10 1.490 7.087 -1.067 1.00 0.00 C ATOM 97 SD MET A 10 -0.219 6.710 -0.636 1.00 0.00 S ATOM 98 CE MET A 10 -0.773 8.301 -0.026 1.00 0.00 C ATOM 0 H MET A 10 4.483 5.774 -1.497 1.00 0.00 H new ATOM 0 HA MET A 10 3.841 8.384 -0.247 1.00 0.00 H new ATOM 0 HB2 MET A 10 2.509 5.682 0.184 1.00 0.00 H new ATOM 0 HB3 MET A 10 2.081 7.179 0.987 1.00 0.00 H new ATOM 0 HG2 MET A 10 1.572 8.144 -1.320 1.00 0.00 H new ATOM 0 HG3 MET A 10 1.768 6.524 -1.958 1.00 0.00 H new ATOM 0 HE1 MET A 10 -1.780 8.205 0.379 1.00 0.00 H new ATOM 0 HE2 MET A 10 -0.098 8.645 0.758 1.00 0.00 H new ATOM 0 HE3 MET A 10 -0.778 9.022 -0.843 1.00 0.00 H new ATOM 108 N THR A 11 4.870 7.776 1.974 1.00 0.00 N ATOM 109 CA THR A 11 5.706 7.522 3.140 1.00 0.00 C ATOM 110 C THR A 11 4.857 7.303 4.387 1.00 0.00 C ATOM 111 O THR A 11 3.923 8.059 4.655 1.00 0.00 O ATOM 112 CB THR A 11 6.684 8.685 3.395 1.00 0.00 C ATOM 113 OG1 THR A 11 7.426 8.971 2.205 1.00 0.00 O ATOM 114 CG2 THR A 11 7.642 8.347 4.527 1.00 0.00 C ATOM 0 H THR A 11 4.369 8.664 2.000 1.00 0.00 H new ATOM 0 HA THR A 11 6.277 6.618 2.929 1.00 0.00 H new ATOM 0 HB THR A 11 6.104 9.563 3.680 1.00 0.00 H new ATOM 0 HG1 THR A 11 7.626 9.930 2.167 1.00 0.00 H new ATOM 0 HG21 THR A 11 8.323 9.183 4.689 1.00 0.00 H new ATOM 0 HG22 THR A 11 7.076 8.158 5.439 1.00 0.00 H new ATOM 0 HG23 THR A 11 8.215 7.457 4.265 1.00 0.00 H new ATOM 122 N VAL A 12 5.188 6.265 5.148 1.00 0.00 N ATOM 123 CA VAL A 12 4.457 5.948 6.369 1.00 0.00 C ATOM 124 C VAL A 12 4.566 7.080 7.385 1.00 0.00 C ATOM 125 O VAL A 12 5.665 7.523 7.719 1.00 0.00 O ATOM 126 CB VAL A 12 4.973 4.646 7.011 1.00 0.00 C ATOM 127 CG1 VAL A 12 4.167 4.308 8.256 1.00 0.00 C ATOM 128 CG2 VAL A 12 4.925 3.503 6.008 1.00 0.00 C ATOM 0 H VAL A 12 5.958 5.629 4.940 1.00 0.00 H new ATOM 0 HA VAL A 12 3.413 5.816 6.087 1.00 0.00 H new ATOM 0 HB VAL A 12 6.011 4.795 7.309 1.00 0.00 H new ATOM 0 HG11 VAL A 12 4.546 3.385 8.695 1.00 0.00 H new ATOM 0 HG12 VAL A 12 4.258 5.118 8.979 1.00 0.00 H new ATOM 0 HG13 VAL A 12 3.119 4.178 7.987 1.00 0.00 H new ATOM 0 HG21 VAL A 12 5.293 2.591 6.478 1.00 0.00 H new ATOM 0 HG22 VAL A 12 3.897 3.352 5.678 1.00 0.00 H new ATOM 0 HG23 VAL A 12 5.550 3.746 5.149 1.00 0.00 H new ATOM 138 N ILE A 13 3.420 7.542 7.872 1.00 0.00 N ATOM 139 CA ILE A 13 3.387 8.622 8.851 1.00 0.00 C ATOM 140 C ILE A 13 3.173 8.080 10.260 1.00 0.00 C ATOM 141 O ILE A 13 3.423 8.771 11.248 1.00 0.00 O ATOM 142 CB ILE A 13 2.277 9.640 8.530 1.00 0.00 C ATOM 143 CG1 ILE A 13 0.918 8.939 8.460 1.00 0.00 C ATOM 144 CG2 ILE A 13 2.578 10.357 7.223 1.00 0.00 C ATOM 145 CD1 ILE A 13 -0.255 9.875 8.651 1.00 0.00 C ATOM 0 H ILE A 13 2.502 7.186 7.605 1.00 0.00 H new ATOM 0 HA ILE A 13 4.353 9.124 8.800 1.00 0.00 H new ATOM 0 HB ILE A 13 2.242 10.382 9.328 1.00 0.00 H new ATOM 0 HG12 ILE A 13 0.823 8.443 7.494 1.00 0.00 H new ATOM 0 HG13 ILE A 13 0.880 8.161 9.223 1.00 0.00 H new ATOM 0 HG21 ILE A 13 1.784 11.073 7.010 1.00 0.00 H new ATOM 0 HG22 ILE A 13 3.529 10.883 7.307 1.00 0.00 H new ATOM 0 HG23 ILE A 13 2.637 9.629 6.414 1.00 0.00 H new ATOM 0 HD11 ILE A 13 -1.185 9.310 8.589 1.00 0.00 H new ATOM 0 HD12 ILE A 13 -0.184 10.352 9.629 1.00 0.00 H new ATOM 0 HD13 ILE A 13 -0.242 10.638 7.873 1.00 0.00 H new ATOM 157 N LYS A 14 2.709 6.837 10.346 1.00 0.00 N ATOM 158 CA LYS A 14 2.463 6.199 11.634 1.00 0.00 C ATOM 159 C LYS A 14 2.709 4.696 11.552 1.00 0.00 C ATOM 160 O LYS A 14 2.536 4.086 10.497 1.00 0.00 O ATOM 161 CB LYS A 14 1.029 6.468 12.093 1.00 0.00 C ATOM 162 CG LYS A 14 0.752 7.929 12.402 1.00 0.00 C ATOM 163 CD LYS A 14 -0.706 8.156 12.765 1.00 0.00 C ATOM 164 CE LYS A 14 -0.965 7.873 14.237 1.00 0.00 C ATOM 165 NZ LYS A 14 -0.630 9.044 15.094 1.00 0.00 N ATOM 0 H LYS A 14 2.496 6.252 9.538 1.00 0.00 H new ATOM 0 HA LYS A 14 3.156 6.623 12.360 1.00 0.00 H new ATOM 0 HB2 LYS A 14 0.340 6.132 11.318 1.00 0.00 H new ATOM 0 HB3 LYS A 14 0.824 5.872 12.982 1.00 0.00 H new ATOM 0 HG2 LYS A 14 1.388 8.254 13.225 1.00 0.00 H new ATOM 0 HG3 LYS A 14 1.012 8.540 11.538 1.00 0.00 H new ATOM 0 HD2 LYS A 14 -0.983 9.185 12.537 1.00 0.00 H new ATOM 0 HD3 LYS A 14 -1.339 7.513 12.153 1.00 0.00 H new ATOM 0 HE2 LYS A 14 -2.013 7.608 14.377 1.00 0.00 H new ATOM 0 HE3 LYS A 14 -0.374 7.012 14.551 1.00 0.00 H new ATOM 0 HZ1 LYS A 14 -0.820 8.811 16.090 1.00 0.00 H new ATOM 0 HZ2 LYS A 14 0.376 9.281 14.980 1.00 0.00 H new ATOM 0 HZ3 LYS A 14 -1.212 9.859 14.812 1.00 0.00 H new ATOM 179 N ASP A 15 3.112 4.105 12.671 1.00 0.00 N ATOM 180 CA ASP A 15 3.379 2.673 12.727 1.00 0.00 C ATOM 181 C ASP A 15 2.096 1.873 12.525 1.00 0.00 C ATOM 182 O ASP A 15 1.017 2.294 12.944 1.00 0.00 O ATOM 183 CB ASP A 15 4.021 2.303 14.065 1.00 0.00 C ATOM 184 CG ASP A 15 4.516 0.870 14.093 1.00 0.00 C ATOM 185 OD1 ASP A 15 5.536 0.582 13.433 1.00 0.00 O ATOM 186 OD2 ASP A 15 3.884 0.038 14.776 1.00 0.00 O ATOM 0 H ASP A 15 3.261 4.596 13.552 1.00 0.00 H new ATOM 0 HA ASP A 15 4.071 2.426 11.922 1.00 0.00 H new ATOM 0 HB2 ASP A 15 4.855 2.976 14.263 1.00 0.00 H new ATOM 0 HB3 ASP A 15 3.296 2.450 14.866 1.00 0.00 H new ATOM 191 N TYR A 16 2.220 0.718 11.881 1.00 0.00 N ATOM 192 CA TYR A 16 1.070 -0.140 11.621 1.00 0.00 C ATOM 193 C TYR A 16 1.438 -1.611 11.791 1.00 0.00 C ATOM 194 O TYR A 16 2.615 -1.973 11.788 1.00 0.00 O ATOM 195 CB TYR A 16 0.534 0.104 10.209 1.00 0.00 C ATOM 196 CG TYR A 16 -0.550 -0.866 9.797 1.00 0.00 C ATOM 197 CD1 TYR A 16 -1.837 -0.760 10.310 1.00 0.00 C ATOM 198 CD2 TYR A 16 -0.287 -1.888 8.893 1.00 0.00 C ATOM 199 CE1 TYR A 16 -2.830 -1.644 9.937 1.00 0.00 C ATOM 200 CE2 TYR A 16 -1.275 -2.777 8.513 1.00 0.00 C ATOM 201 CZ TYR A 16 -2.544 -2.651 9.038 1.00 0.00 C ATOM 202 OH TYR A 16 -3.531 -3.533 8.662 1.00 0.00 O ATOM 0 H TYR A 16 3.106 0.354 11.529 1.00 0.00 H new ATOM 0 HA TYR A 16 0.293 0.107 12.345 1.00 0.00 H new ATOM 0 HB2 TYR A 16 0.143 1.120 10.148 1.00 0.00 H new ATOM 0 HB3 TYR A 16 1.359 0.037 9.500 1.00 0.00 H new ATOM 0 HD1 TYR A 16 -2.065 0.028 11.013 1.00 0.00 H new ATOM 0 HD2 TYR A 16 0.706 -1.989 8.480 1.00 0.00 H new ATOM 0 HE1 TYR A 16 -3.825 -1.548 10.346 1.00 0.00 H new ATOM 0 HE2 TYR A 16 -1.054 -3.566 7.809 1.00 0.00 H new ATOM 0 HH TYR A 16 -3.123 -4.373 8.365 1.00 0.00 H new ATOM 212 N TYR A 17 0.422 -2.455 11.937 1.00 0.00 N ATOM 213 CA TYR A 17 0.637 -3.886 12.110 1.00 0.00 C ATOM 214 C TYR A 17 -0.127 -4.683 11.056 1.00 0.00 C ATOM 215 O TYR A 17 -1.302 -4.426 10.799 1.00 0.00 O ATOM 216 CB TYR A 17 0.202 -4.324 13.509 1.00 0.00 C ATOM 217 CG TYR A 17 0.630 -3.370 14.602 1.00 0.00 C ATOM 218 CD1 TYR A 17 1.975 -3.142 14.865 1.00 0.00 C ATOM 219 CD2 TYR A 17 -0.311 -2.697 15.371 1.00 0.00 C ATOM 220 CE1 TYR A 17 2.370 -2.273 15.863 1.00 0.00 C ATOM 221 CE2 TYR A 17 0.075 -1.824 16.370 1.00 0.00 C ATOM 222 CZ TYR A 17 1.417 -1.616 16.612 1.00 0.00 C ATOM 223 OH TYR A 17 1.807 -0.748 17.606 1.00 0.00 O ATOM 0 H TYR A 17 -0.558 -2.172 11.939 1.00 0.00 H new ATOM 0 HA TYR A 17 1.702 -4.084 11.989 1.00 0.00 H new ATOM 0 HB2 TYR A 17 -0.883 -4.423 13.529 1.00 0.00 H new ATOM 0 HB3 TYR A 17 0.616 -5.311 13.717 1.00 0.00 H new ATOM 0 HD1 TYR A 17 2.724 -3.653 14.279 1.00 0.00 H new ATOM 0 HD2 TYR A 17 -1.362 -2.859 15.185 1.00 0.00 H new ATOM 0 HE1 TYR A 17 3.420 -2.109 16.056 1.00 0.00 H new ATOM 0 HE2 TYR A 17 -0.669 -1.308 16.958 1.00 0.00 H new ATOM 0 HH TYR A 17 1.014 -0.367 18.038 1.00 0.00 H new ATOM 233 N ALA A 18 0.552 -5.651 10.449 1.00 0.00 N ATOM 234 CA ALA A 18 -0.061 -6.487 9.424 1.00 0.00 C ATOM 235 C ALA A 18 -1.071 -7.452 10.036 1.00 0.00 C ATOM 236 O ALA A 18 -0.696 -8.445 10.661 1.00 0.00 O ATOM 237 CB ALA A 18 1.007 -7.253 8.659 1.00 0.00 C ATOM 0 H ALA A 18 1.527 -5.876 10.649 1.00 0.00 H new ATOM 0 HA ALA A 18 -0.593 -5.837 8.729 1.00 0.00 H new ATOM 0 HB1 ALA A 18 0.535 -7.873 7.897 1.00 0.00 H new ATOM 0 HB2 ALA A 18 1.689 -6.549 8.182 1.00 0.00 H new ATOM 0 HB3 ALA A 18 1.564 -7.887 9.349 1.00 0.00 H new ATOM 243 N LEU A 19 -2.353 -7.155 9.853 1.00 0.00 N ATOM 244 CA LEU A 19 -3.417 -7.996 10.387 1.00 0.00 C ATOM 245 C LEU A 19 -3.670 -9.197 9.480 1.00 0.00 C ATOM 246 O LEU A 19 -4.040 -10.274 9.947 1.00 0.00 O ATOM 247 CB LEU A 19 -4.704 -7.184 10.548 1.00 0.00 C ATOM 248 CG LEU A 19 -4.801 -6.323 11.808 1.00 0.00 C ATOM 249 CD1 LEU A 19 -5.117 -7.185 13.020 1.00 0.00 C ATOM 250 CD2 LEU A 19 -3.510 -5.548 12.025 1.00 0.00 C ATOM 0 H LEU A 19 -2.680 -6.337 9.338 1.00 0.00 H new ATOM 0 HA LEU A 19 -3.101 -8.362 11.364 1.00 0.00 H new ATOM 0 HB2 LEU A 19 -4.811 -6.535 9.679 1.00 0.00 H new ATOM 0 HB3 LEU A 19 -5.548 -7.873 10.537 1.00 0.00 H new ATOM 0 HG LEU A 19 -5.613 -5.608 11.675 1.00 0.00 H new ATOM 0 HD11 LEU A 19 -5.182 -6.555 13.907 1.00 0.00 H new ATOM 0 HD12 LEU A 19 -6.068 -7.695 12.866 1.00 0.00 H new ATOM 0 HD13 LEU A 19 -4.327 -7.924 13.157 1.00 0.00 H new ATOM 0 HD21 LEU A 19 -3.597 -4.941 12.926 1.00 0.00 H new ATOM 0 HD22 LEU A 19 -2.681 -6.247 12.137 1.00 0.00 H new ATOM 0 HD23 LEU A 19 -3.326 -4.901 11.168 1.00 0.00 H new ATOM 262 N LYS A 20 -3.466 -9.004 8.182 1.00 0.00 N ATOM 263 CA LYS A 20 -3.668 -10.070 7.208 1.00 0.00 C ATOM 264 C LYS A 20 -2.332 -10.597 6.694 1.00 0.00 C ATOM 265 O LYS A 20 -1.376 -9.839 6.535 1.00 0.00 O ATOM 266 CB LYS A 20 -4.515 -9.567 6.037 1.00 0.00 C ATOM 267 CG LYS A 20 -6.000 -9.495 6.347 1.00 0.00 C ATOM 268 CD LYS A 20 -6.707 -10.792 5.990 1.00 0.00 C ATOM 269 CE LYS A 20 -6.685 -11.776 7.149 1.00 0.00 C ATOM 270 NZ LYS A 20 -5.492 -12.666 7.099 1.00 0.00 N ATOM 0 H LYS A 20 -3.160 -8.118 7.779 1.00 0.00 H new ATOM 0 HA LYS A 20 -4.194 -10.886 7.704 1.00 0.00 H new ATOM 0 HB2 LYS A 20 -4.165 -8.577 5.745 1.00 0.00 H new ATOM 0 HB3 LYS A 20 -4.363 -10.224 5.181 1.00 0.00 H new ATOM 0 HG2 LYS A 20 -6.142 -9.282 7.407 1.00 0.00 H new ATOM 0 HG3 LYS A 20 -6.449 -8.670 5.793 1.00 0.00 H new ATOM 0 HD2 LYS A 20 -7.739 -10.580 5.711 1.00 0.00 H new ATOM 0 HD3 LYS A 20 -6.228 -11.242 5.120 1.00 0.00 H new ATOM 0 HE2 LYS A 20 -6.690 -11.228 8.091 1.00 0.00 H new ATOM 0 HE3 LYS A 20 -7.591 -12.382 7.128 1.00 0.00 H new ATOM 0 HZ1 LYS A 20 -5.800 -13.654 6.996 1.00 0.00 H new ATOM 0 HZ2 LYS A 20 -4.896 -12.403 6.288 1.00 0.00 H new ATOM 0 HZ3 LYS A 20 -4.945 -12.564 7.978 1.00 0.00 H new ATOM 284 N GLU A 21 -2.275 -11.900 6.435 1.00 0.00 N ATOM 285 CA GLU A 21 -1.056 -12.526 5.937 1.00 0.00 C ATOM 286 C GLU A 21 -0.413 -11.676 4.846 1.00 0.00 C ATOM 287 O GLU A 21 0.802 -11.484 4.828 1.00 0.00 O ATOM 288 CB GLU A 21 -1.359 -13.925 5.397 1.00 0.00 C ATOM 289 CG GLU A 21 -1.863 -14.891 6.456 1.00 0.00 C ATOM 290 CD GLU A 21 -2.492 -16.135 5.860 1.00 0.00 C ATOM 291 OE1 GLU A 21 -1.738 -17.011 5.386 1.00 0.00 O ATOM 292 OE2 GLU A 21 -3.736 -16.234 5.866 1.00 0.00 O ATOM 0 H GLU A 21 -3.058 -12.542 6.562 1.00 0.00 H new ATOM 0 HA GLU A 21 -0.356 -12.609 6.768 1.00 0.00 H new ATOM 0 HB2 GLU A 21 -2.104 -13.846 4.605 1.00 0.00 H new ATOM 0 HB3 GLU A 21 -0.456 -14.334 4.945 1.00 0.00 H new ATOM 0 HG2 GLU A 21 -1.034 -15.181 7.101 1.00 0.00 H new ATOM 0 HG3 GLU A 21 -2.595 -14.385 7.085 1.00 0.00 H new ATOM 299 N ASN A 22 -1.239 -11.169 3.936 1.00 0.00 N ATOM 300 CA ASN A 22 -0.752 -10.339 2.839 1.00 0.00 C ATOM 301 C ASN A 22 -0.165 -9.033 3.365 1.00 0.00 C ATOM 302 O ASN A 22 0.930 -8.632 2.973 1.00 0.00 O ATOM 303 CB ASN A 22 -1.885 -10.043 1.855 1.00 0.00 C ATOM 304 CG ASN A 22 -1.371 -9.625 0.490 1.00 0.00 C ATOM 305 OD1 ASN A 22 -0.374 -8.911 0.383 1.00 0.00 O ATOM 306 ND2 ASN A 22 -2.051 -10.070 -0.560 1.00 0.00 N ATOM 0 H ASN A 22 -2.248 -11.318 3.936 1.00 0.00 H new ATOM 0 HA ASN A 22 0.035 -10.888 2.322 1.00 0.00 H new ATOM 0 HB2 ASN A 22 -2.511 -10.929 1.749 1.00 0.00 H new ATOM 0 HB3 ASN A 22 -2.517 -9.253 2.260 1.00 0.00 H new ATOM 0 HD21 ASN A 22 -1.752 -9.822 -1.503 1.00 0.00 H new ATOM 0 HD22 ASN A 22 -2.872 -10.660 -0.423 1.00 0.00 H new ATOM 313 N GLU A 23 -0.902 -8.374 4.254 1.00 0.00 N ATOM 314 CA GLU A 23 -0.455 -7.113 4.832 1.00 0.00 C ATOM 315 C GLU A 23 0.954 -7.246 5.404 1.00 0.00 C ATOM 316 O GLU A 23 1.413 -8.350 5.699 1.00 0.00 O ATOM 317 CB GLU A 23 -1.421 -6.657 5.928 1.00 0.00 C ATOM 318 CG GLU A 23 -2.805 -6.305 5.411 1.00 0.00 C ATOM 319 CD GLU A 23 -3.862 -6.348 6.497 1.00 0.00 C ATOM 320 OE1 GLU A 23 -3.507 -6.157 7.679 1.00 0.00 O ATOM 321 OE2 GLU A 23 -5.045 -6.572 6.164 1.00 0.00 O ATOM 0 H GLU A 23 -1.811 -8.693 4.589 1.00 0.00 H new ATOM 0 HA GLU A 23 -0.438 -6.365 4.039 1.00 0.00 H new ATOM 0 HB2 GLU A 23 -1.511 -7.447 6.673 1.00 0.00 H new ATOM 0 HB3 GLU A 23 -0.999 -5.788 6.434 1.00 0.00 H new ATOM 0 HG2 GLU A 23 -2.782 -5.308 4.971 1.00 0.00 H new ATOM 0 HG3 GLU A 23 -3.079 -6.998 4.615 1.00 0.00 H new ATOM 328 N ILE A 24 1.634 -6.115 5.557 1.00 0.00 N ATOM 329 CA ILE A 24 2.989 -6.105 6.093 1.00 0.00 C ATOM 330 C ILE A 24 3.149 -5.030 7.163 1.00 0.00 C ATOM 331 O ILE A 24 2.469 -4.004 7.133 1.00 0.00 O ATOM 332 CB ILE A 24 4.031 -5.869 4.985 1.00 0.00 C ATOM 333 CG1 ILE A 24 3.869 -4.467 4.392 1.00 0.00 C ATOM 334 CG2 ILE A 24 3.900 -6.927 3.900 1.00 0.00 C ATOM 335 CD1 ILE A 24 4.968 -4.089 3.424 1.00 0.00 C ATOM 0 H ILE A 24 1.268 -5.193 5.317 1.00 0.00 H new ATOM 0 HA ILE A 24 3.159 -7.085 6.538 1.00 0.00 H new ATOM 0 HB ILE A 24 5.027 -5.946 5.421 1.00 0.00 H new ATOM 0 HG12 ILE A 24 2.909 -4.407 3.880 1.00 0.00 H new ATOM 0 HG13 ILE A 24 3.844 -3.739 5.203 1.00 0.00 H new ATOM 0 HG21 ILE A 24 4.644 -6.746 3.124 1.00 0.00 H new ATOM 0 HG22 ILE A 24 4.060 -7.914 4.333 1.00 0.00 H new ATOM 0 HG23 ILE A 24 2.902 -6.880 3.464 1.00 0.00 H new ATOM 0 HD11 ILE A 24 4.788 -3.083 3.044 1.00 0.00 H new ATOM 0 HD12 ILE A 24 5.930 -4.116 3.937 1.00 0.00 H new ATOM 0 HD13 ILE A 24 4.980 -4.794 2.593 1.00 0.00 H new ATOM 347 N CYS A 25 4.051 -5.273 8.107 1.00 0.00 N ATOM 348 CA CYS A 25 4.302 -4.325 9.187 1.00 0.00 C ATOM 349 C CYS A 25 5.162 -3.163 8.702 1.00 0.00 C ATOM 350 O CYS A 25 6.075 -3.346 7.897 1.00 0.00 O ATOM 351 CB CYS A 25 4.987 -5.027 10.361 1.00 0.00 C ATOM 352 SG CYS A 25 3.842 -5.731 11.570 1.00 0.00 S ATOM 0 H CYS A 25 4.621 -6.118 8.147 1.00 0.00 H new ATOM 0 HA CYS A 25 3.343 -3.929 9.519 1.00 0.00 H new ATOM 0 HB2 CYS A 25 5.624 -5.822 9.973 1.00 0.00 H new ATOM 0 HB3 CYS A 25 5.639 -4.314 10.866 1.00 0.00 H new ATOM 0 HG CYS A 25 4.515 -6.305 12.523 1.00 0.00 H new ATOM 358 N VAL A 26 4.863 -1.966 9.197 1.00 0.00 N ATOM 359 CA VAL A 26 5.608 -0.773 8.814 1.00 0.00 C ATOM 360 C VAL A 26 5.671 0.228 9.962 1.00 0.00 C ATOM 361 O VAL A 26 4.797 0.251 10.829 1.00 0.00 O ATOM 362 CB VAL A 26 4.978 -0.088 7.585 1.00 0.00 C ATOM 363 CG1 VAL A 26 4.927 -1.049 6.407 1.00 0.00 C ATOM 364 CG2 VAL A 26 3.589 0.433 7.920 1.00 0.00 C ATOM 0 H VAL A 26 4.110 -1.797 9.864 1.00 0.00 H new ATOM 0 HA VAL A 26 6.618 -1.098 8.563 1.00 0.00 H new ATOM 0 HB VAL A 26 5.601 0.761 7.304 1.00 0.00 H new ATOM 0 HG11 VAL A 26 4.479 -0.549 5.548 1.00 0.00 H new ATOM 0 HG12 VAL A 26 5.938 -1.369 6.154 1.00 0.00 H new ATOM 0 HG13 VAL A 26 4.327 -1.919 6.673 1.00 0.00 H new ATOM 0 HG21 VAL A 26 3.159 0.914 7.041 1.00 0.00 H new ATOM 0 HG22 VAL A 26 2.953 -0.397 8.227 1.00 0.00 H new ATOM 0 HG23 VAL A 26 3.658 1.157 8.732 1.00 0.00 H new ATOM 374 N SER A 27 6.712 1.055 9.962 1.00 0.00 N ATOM 375 CA SER A 27 6.892 2.057 11.006 1.00 0.00 C ATOM 376 C SER A 27 7.000 3.455 10.405 1.00 0.00 C ATOM 377 O SER A 27 7.418 3.618 9.259 1.00 0.00 O ATOM 378 CB SER A 27 8.143 1.746 11.830 1.00 0.00 C ATOM 379 OG SER A 27 7.999 2.198 13.166 1.00 0.00 O ATOM 0 H SER A 27 7.443 1.051 9.251 1.00 0.00 H new ATOM 0 HA SER A 27 6.019 2.027 11.658 1.00 0.00 H new ATOM 0 HB2 SER A 27 8.328 0.672 11.824 1.00 0.00 H new ATOM 0 HB3 SER A 27 9.011 2.222 11.373 1.00 0.00 H new ATOM 0 HG SER A 27 7.195 1.800 13.561 1.00 0.00 H new ATOM 385 N GLN A 28 6.619 4.460 11.187 1.00 0.00 N ATOM 386 CA GLN A 28 6.672 5.844 10.732 1.00 0.00 C ATOM 387 C GLN A 28 8.025 6.159 10.104 1.00 0.00 C ATOM 388 O GLN A 28 9.062 6.064 10.759 1.00 0.00 O ATOM 389 CB GLN A 28 6.403 6.797 11.898 1.00 0.00 C ATOM 390 CG GLN A 28 6.890 8.215 11.650 1.00 0.00 C ATOM 391 CD GLN A 28 6.833 9.079 12.894 1.00 0.00 C ATOM 392 OE1 GLN A 28 7.047 8.598 14.008 1.00 0.00 O ATOM 393 NE2 GLN A 28 6.543 10.362 12.712 1.00 0.00 N ATOM 0 H GLN A 28 6.270 4.342 12.138 1.00 0.00 H new ATOM 0 HA GLN A 28 5.900 5.981 9.975 1.00 0.00 H new ATOM 0 HB2 GLN A 28 5.332 6.820 12.098 1.00 0.00 H new ATOM 0 HB3 GLN A 28 6.886 6.407 12.794 1.00 0.00 H new ATOM 0 HG2 GLN A 28 7.915 8.183 11.281 1.00 0.00 H new ATOM 0 HG3 GLN A 28 6.284 8.671 10.868 1.00 0.00 H new ATOM 0 HE21 GLN A 28 6.373 10.718 11.771 1.00 0.00 H new ATOM 0 HE22 GLN A 28 6.490 10.992 13.513 1.00 0.00 H new ATOM 402 N GLY A 29 8.007 6.535 8.829 1.00 0.00 N ATOM 403 CA GLY A 29 9.239 6.858 8.133 1.00 0.00 C ATOM 404 C GLY A 29 9.435 6.023 6.884 1.00 0.00 C ATOM 405 O GLY A 29 9.840 6.538 5.842 1.00 0.00 O ATOM 0 H GLY A 29 7.161 6.622 8.266 1.00 0.00 H new ATOM 0 HA2 GLY A 29 9.234 7.914 7.863 1.00 0.00 H new ATOM 0 HA3 GLY A 29 10.083 6.705 8.805 1.00 0.00 H new ATOM 409 N GLU A 30 9.150 4.729 6.988 1.00 0.00 N ATOM 410 CA GLU A 30 9.300 3.820 5.857 1.00 0.00 C ATOM 411 C GLU A 30 8.645 4.396 4.605 1.00 0.00 C ATOM 412 O GLU A 30 7.735 5.222 4.691 1.00 0.00 O ATOM 413 CB GLU A 30 8.688 2.456 6.185 1.00 0.00 C ATOM 414 CG GLU A 30 9.662 1.496 6.847 1.00 0.00 C ATOM 415 CD GLU A 30 11.028 1.503 6.187 1.00 0.00 C ATOM 416 OE1 GLU A 30 11.087 1.418 4.943 1.00 0.00 O ATOM 417 OE2 GLU A 30 12.037 1.594 6.917 1.00 0.00 O ATOM 0 H GLU A 30 8.814 4.286 7.843 1.00 0.00 H new ATOM 0 HA GLU A 30 10.365 3.695 5.664 1.00 0.00 H new ATOM 0 HB2 GLU A 30 7.830 2.600 6.842 1.00 0.00 H new ATOM 0 HB3 GLU A 30 8.314 2.005 5.266 1.00 0.00 H new ATOM 0 HG2 GLU A 30 9.769 1.761 7.899 1.00 0.00 H new ATOM 0 HG3 GLU A 30 9.251 0.487 6.813 1.00 0.00 H new ATOM 424 N VAL A 31 9.114 3.955 3.443 1.00 0.00 N ATOM 425 CA VAL A 31 8.574 4.426 2.172 1.00 0.00 C ATOM 426 C VAL A 31 8.214 3.257 1.262 1.00 0.00 C ATOM 427 O VAL A 31 8.985 2.309 1.116 1.00 0.00 O ATOM 428 CB VAL A 31 9.574 5.342 1.442 1.00 0.00 C ATOM 429 CG1 VAL A 31 8.952 5.911 0.177 1.00 0.00 C ATOM 430 CG2 VAL A 31 10.044 6.458 2.364 1.00 0.00 C ATOM 0 H VAL A 31 9.867 3.272 3.354 1.00 0.00 H new ATOM 0 HA VAL A 31 7.673 4.995 2.402 1.00 0.00 H new ATOM 0 HB VAL A 31 10.442 4.748 1.155 1.00 0.00 H new ATOM 0 HG11 VAL A 31 9.673 6.556 -0.325 1.00 0.00 H new ATOM 0 HG12 VAL A 31 8.670 5.095 -0.488 1.00 0.00 H new ATOM 0 HG13 VAL A 31 8.066 6.491 0.436 1.00 0.00 H new ATOM 0 HG21 VAL A 31 10.750 7.096 1.832 1.00 0.00 H new ATOM 0 HG22 VAL A 31 9.187 7.052 2.683 1.00 0.00 H new ATOM 0 HG23 VAL A 31 10.532 6.027 3.238 1.00 0.00 H new ATOM 440 N VAL A 32 7.037 3.332 0.650 1.00 0.00 N ATOM 441 CA VAL A 32 6.574 2.282 -0.249 1.00 0.00 C ATOM 442 C VAL A 32 5.988 2.870 -1.527 1.00 0.00 C ATOM 443 O VAL A 32 6.031 4.082 -1.740 1.00 0.00 O ATOM 444 CB VAL A 32 5.514 1.392 0.427 1.00 0.00 C ATOM 445 CG1 VAL A 32 6.104 0.682 1.635 1.00 0.00 C ATOM 446 CG2 VAL A 32 4.300 2.218 0.824 1.00 0.00 C ATOM 0 H VAL A 32 6.386 4.110 0.760 1.00 0.00 H new ATOM 0 HA VAL A 32 7.443 1.674 -0.499 1.00 0.00 H new ATOM 0 HB VAL A 32 5.192 0.634 -0.287 1.00 0.00 H new ATOM 0 HG11 VAL A 32 5.340 0.058 2.099 1.00 0.00 H new ATOM 0 HG12 VAL A 32 6.939 0.058 1.318 1.00 0.00 H new ATOM 0 HG13 VAL A 32 6.456 1.421 2.355 1.00 0.00 H new ATOM 0 HG21 VAL A 32 3.561 1.573 1.300 1.00 0.00 H new ATOM 0 HG22 VAL A 32 4.603 2.999 1.521 1.00 0.00 H new ATOM 0 HG23 VAL A 32 3.864 2.675 -0.065 1.00 0.00 H new ATOM 456 N GLN A 33 5.439 2.005 -2.374 1.00 0.00 N ATOM 457 CA GLN A 33 4.844 2.440 -3.632 1.00 0.00 C ATOM 458 C GLN A 33 3.441 1.865 -3.798 1.00 0.00 C ATOM 459 O GLN A 33 3.254 0.648 -3.801 1.00 0.00 O ATOM 460 CB GLN A 33 5.724 2.018 -4.810 1.00 0.00 C ATOM 461 CG GLN A 33 6.946 2.901 -5.003 1.00 0.00 C ATOM 462 CD GLN A 33 8.110 2.488 -4.124 1.00 0.00 C ATOM 463 OE1 GLN A 33 8.183 2.865 -2.954 1.00 0.00 O ATOM 464 NE2 GLN A 33 9.028 1.709 -4.683 1.00 0.00 N ATOM 0 H GLN A 33 5.394 0.999 -2.212 1.00 0.00 H new ATOM 0 HA GLN A 33 4.771 3.527 -3.614 1.00 0.00 H new ATOM 0 HB2 GLN A 33 6.050 0.989 -4.659 1.00 0.00 H new ATOM 0 HB3 GLN A 33 5.127 2.033 -5.722 1.00 0.00 H new ATOM 0 HG2 GLN A 33 7.254 2.865 -6.048 1.00 0.00 H new ATOM 0 HG3 GLN A 33 6.680 3.935 -4.785 1.00 0.00 H new ATOM 0 HE21 GLN A 33 8.928 1.420 -5.656 1.00 0.00 H new ATOM 0 HE22 GLN A 33 9.834 1.399 -4.139 1.00 0.00 H new ATOM 473 N VAL A 34 2.458 2.748 -3.935 1.00 0.00 N ATOM 474 CA VAL A 34 1.071 2.328 -4.103 1.00 0.00 C ATOM 475 C VAL A 34 0.865 1.635 -5.445 1.00 0.00 C ATOM 476 O VAL A 34 1.418 2.052 -6.463 1.00 0.00 O ATOM 477 CB VAL A 34 0.107 3.525 -4.002 1.00 0.00 C ATOM 478 CG1 VAL A 34 -1.336 3.060 -4.128 1.00 0.00 C ATOM 479 CG2 VAL A 34 0.322 4.274 -2.696 1.00 0.00 C ATOM 0 H VAL A 34 2.595 3.759 -3.933 1.00 0.00 H new ATOM 0 HA VAL A 34 0.853 1.626 -3.298 1.00 0.00 H new ATOM 0 HB VAL A 34 0.317 4.209 -4.825 1.00 0.00 H new ATOM 0 HG11 VAL A 34 -2.003 3.919 -4.054 1.00 0.00 H new ATOM 0 HG12 VAL A 34 -1.478 2.572 -5.092 1.00 0.00 H new ATOM 0 HG13 VAL A 34 -1.562 2.355 -3.328 1.00 0.00 H new ATOM 0 HG21 VAL A 34 -0.368 5.116 -2.642 1.00 0.00 H new ATOM 0 HG22 VAL A 34 0.141 3.602 -1.857 1.00 0.00 H new ATOM 0 HG23 VAL A 34 1.347 4.641 -2.652 1.00 0.00 H new ATOM 489 N LEU A 35 0.066 0.574 -5.439 1.00 0.00 N ATOM 490 CA LEU A 35 -0.214 -0.179 -6.657 1.00 0.00 C ATOM 491 C LEU A 35 -1.707 -0.173 -6.969 1.00 0.00 C ATOM 492 O LEU A 35 -2.109 -0.116 -8.130 1.00 0.00 O ATOM 493 CB LEU A 35 0.283 -1.619 -6.516 1.00 0.00 C ATOM 494 CG LEU A 35 1.775 -1.788 -6.225 1.00 0.00 C ATOM 495 CD1 LEU A 35 2.118 -3.257 -6.032 1.00 0.00 C ATOM 496 CD2 LEU A 35 2.608 -1.187 -7.348 1.00 0.00 C ATOM 0 H LEU A 35 -0.399 0.216 -4.605 1.00 0.00 H new ATOM 0 HA LEU A 35 0.313 0.302 -7.481 1.00 0.00 H new ATOM 0 HB2 LEU A 35 -0.280 -2.100 -5.716 1.00 0.00 H new ATOM 0 HB3 LEU A 35 0.050 -2.155 -7.436 1.00 0.00 H new ATOM 0 HG LEU A 35 2.008 -1.257 -5.302 1.00 0.00 H new ATOM 0 HD11 LEU A 35 3.184 -3.358 -5.826 1.00 0.00 H new ATOM 0 HD12 LEU A 35 1.547 -3.657 -5.194 1.00 0.00 H new ATOM 0 HD13 LEU A 35 1.870 -3.811 -6.937 1.00 0.00 H new ATOM 0 HD21 LEU A 35 3.667 -1.316 -7.125 1.00 0.00 H new ATOM 0 HD22 LEU A 35 2.371 -1.690 -8.286 1.00 0.00 H new ATOM 0 HD23 LEU A 35 2.383 -0.124 -7.439 1.00 0.00 H new ATOM 508 N ALA A 36 -2.525 -0.232 -5.923 1.00 0.00 N ATOM 509 CA ALA A 36 -3.974 -0.229 -6.085 1.00 0.00 C ATOM 510 C ALA A 36 -4.678 -0.182 -4.733 1.00 0.00 C ATOM 511 O ALA A 36 -4.031 -0.118 -3.687 1.00 0.00 O ATOM 512 CB ALA A 36 -4.419 -1.453 -6.871 1.00 0.00 C ATOM 0 H ALA A 36 -2.209 -0.282 -4.955 1.00 0.00 H new ATOM 0 HA ALA A 36 -4.251 0.667 -6.640 1.00 0.00 H new ATOM 0 HB1 ALA A 36 -5.503 -1.438 -6.985 1.00 0.00 H new ATOM 0 HB2 ALA A 36 -3.951 -1.443 -7.855 1.00 0.00 H new ATOM 0 HB3 ALA A 36 -4.122 -2.356 -6.337 1.00 0.00 H new ATOM 518 N VAL A 37 -6.006 -0.213 -4.761 1.00 0.00 N ATOM 519 CA VAL A 37 -6.798 -0.174 -3.537 1.00 0.00 C ATOM 520 C VAL A 37 -7.664 -1.421 -3.403 1.00 0.00 C ATOM 521 O VAL A 37 -7.960 -2.093 -4.390 1.00 0.00 O ATOM 522 CB VAL A 37 -7.701 1.073 -3.492 1.00 0.00 C ATOM 523 CG1 VAL A 37 -8.673 0.987 -2.325 1.00 0.00 C ATOM 524 CG2 VAL A 37 -6.860 2.337 -3.404 1.00 0.00 C ATOM 0 H VAL A 37 -6.557 -0.265 -5.618 1.00 0.00 H new ATOM 0 HA VAL A 37 -6.094 -0.133 -2.706 1.00 0.00 H new ATOM 0 HB VAL A 37 -8.281 1.114 -4.414 1.00 0.00 H new ATOM 0 HG11 VAL A 37 -9.303 1.877 -2.310 1.00 0.00 H new ATOM 0 HG12 VAL A 37 -9.299 0.102 -2.437 1.00 0.00 H new ATOM 0 HG13 VAL A 37 -8.115 0.921 -1.391 1.00 0.00 H new ATOM 0 HG21 VAL A 37 -7.515 3.208 -3.373 1.00 0.00 H new ATOM 0 HG22 VAL A 37 -6.252 2.307 -2.500 1.00 0.00 H new ATOM 0 HG23 VAL A 37 -6.210 2.403 -4.276 1.00 0.00 H new ATOM 534 N ASN A 38 -8.069 -1.725 -2.174 1.00 0.00 N ATOM 535 CA ASN A 38 -8.902 -2.892 -1.910 1.00 0.00 C ATOM 536 C ASN A 38 -10.259 -2.476 -1.350 1.00 0.00 C ATOM 537 O ASN A 38 -10.423 -1.358 -0.862 1.00 0.00 O ATOM 538 CB ASN A 38 -8.200 -3.835 -0.931 1.00 0.00 C ATOM 539 CG ASN A 38 -9.086 -4.990 -0.504 1.00 0.00 C ATOM 540 OD1 ASN A 38 -9.861 -5.519 -1.301 1.00 0.00 O ATOM 541 ND2 ASN A 38 -8.975 -5.385 0.758 1.00 0.00 N ATOM 0 H ASN A 38 -7.834 -1.179 -1.345 1.00 0.00 H new ATOM 0 HA ASN A 38 -9.063 -3.414 -2.853 1.00 0.00 H new ATOM 0 HB2 ASN A 38 -7.295 -4.227 -1.394 1.00 0.00 H new ATOM 0 HB3 ASN A 38 -7.889 -3.274 -0.050 1.00 0.00 H new ATOM 0 HD21 ASN A 38 -9.546 -6.157 1.103 1.00 0.00 H new ATOM 0 HD22 ASN A 38 -8.319 -4.917 1.383 1.00 0.00 H new ATOM 548 N GLN A 39 -11.227 -3.385 -1.422 1.00 0.00 N ATOM 549 CA GLN A 39 -12.569 -3.112 -0.922 1.00 0.00 C ATOM 550 C GLN A 39 -12.540 -2.791 0.568 1.00 0.00 C ATOM 551 O GLN A 39 -13.456 -2.160 1.094 1.00 0.00 O ATOM 552 CB GLN A 39 -13.485 -4.309 -1.180 1.00 0.00 C ATOM 553 CG GLN A 39 -13.730 -4.581 -2.656 1.00 0.00 C ATOM 554 CD GLN A 39 -12.681 -5.490 -3.264 1.00 0.00 C ATOM 555 OE1 GLN A 39 -11.998 -6.231 -2.555 1.00 0.00 O ATOM 556 NE2 GLN A 39 -12.547 -5.440 -4.584 1.00 0.00 N ATOM 0 H GLN A 39 -11.107 -4.316 -1.821 1.00 0.00 H new ATOM 0 HA GLN A 39 -12.958 -2.244 -1.454 1.00 0.00 H new ATOM 0 HB2 GLN A 39 -13.047 -5.196 -0.723 1.00 0.00 H new ATOM 0 HB3 GLN A 39 -14.442 -4.137 -0.687 1.00 0.00 H new ATOM 0 HG2 GLN A 39 -14.714 -5.034 -2.780 1.00 0.00 H new ATOM 0 HG3 GLN A 39 -13.744 -3.636 -3.198 1.00 0.00 H new ATOM 0 HE21 GLN A 39 -13.134 -4.812 -5.133 1.00 0.00 H new ATOM 0 HE22 GLN A 39 -11.857 -6.030 -5.049 1.00 0.00 H new ATOM 565 N GLN A 40 -11.482 -3.230 1.243 1.00 0.00 N ATOM 566 CA GLN A 40 -11.334 -2.990 2.673 1.00 0.00 C ATOM 567 C GLN A 40 -10.677 -1.639 2.934 1.00 0.00 C ATOM 568 O GLN A 40 -10.152 -1.392 4.019 1.00 0.00 O ATOM 569 CB GLN A 40 -10.508 -4.105 3.317 1.00 0.00 C ATOM 570 CG GLN A 40 -11.320 -5.344 3.659 1.00 0.00 C ATOM 571 CD GLN A 40 -10.613 -6.250 4.647 1.00 0.00 C ATOM 572 OE1 GLN A 40 -10.046 -7.276 4.270 1.00 0.00 O ATOM 573 NE2 GLN A 40 -10.642 -5.876 5.920 1.00 0.00 N ATOM 0 H GLN A 40 -10.715 -3.754 0.822 1.00 0.00 H new ATOM 0 HA GLN A 40 -12.329 -2.981 3.118 1.00 0.00 H new ATOM 0 HB2 GLN A 40 -9.701 -4.385 2.640 1.00 0.00 H new ATOM 0 HB3 GLN A 40 -10.043 -3.723 4.226 1.00 0.00 H new ATOM 0 HG2 GLN A 40 -12.281 -5.041 4.073 1.00 0.00 H new ATOM 0 HG3 GLN A 40 -11.528 -5.901 2.745 1.00 0.00 H new ATOM 0 HE21 GLN A 40 -11.124 -5.018 6.189 1.00 0.00 H new ATOM 0 HE22 GLN A 40 -10.183 -6.447 6.630 1.00 0.00 H new ATOM 582 N ASN A 41 -10.710 -0.767 1.931 1.00 0.00 N ATOM 583 CA ASN A 41 -10.116 0.559 2.051 1.00 0.00 C ATOM 584 C ASN A 41 -8.612 0.463 2.287 1.00 0.00 C ATOM 585 O ASN A 41 -8.027 1.296 2.979 1.00 0.00 O ATOM 586 CB ASN A 41 -10.774 1.334 3.195 1.00 0.00 C ATOM 587 CG ASN A 41 -12.199 1.742 2.872 1.00 0.00 C ATOM 588 OD1 ASN A 41 -13.055 0.757 2.630 1.00 0.00 O flip ATOM 589 ND2 ASN A 41 -12.524 2.929 2.842 1.00 0.00 N flip ATOM 0 H ASN A 41 -11.142 -0.955 1.026 1.00 0.00 H new ATOM 0 HA ASN A 41 -10.286 1.091 1.115 1.00 0.00 H new ATOM 0 HB2 ASN A 41 -10.770 0.720 4.096 1.00 0.00 H new ATOM 0 HB3 ASN A 41 -10.185 2.224 3.413 1.00 0.00 H new ATOM 0 HD21 ASN A 41 -11.831 3.652 3.035 1.00 0.00 H new ATOM 0 HD22 ASN A 41 -13.486 3.189 2.624 1.00 0.00 H new ATOM 596 N MET A 42 -7.992 -0.559 1.707 1.00 0.00 N ATOM 597 CA MET A 42 -6.555 -0.764 1.852 1.00 0.00 C ATOM 598 C MET A 42 -5.821 -0.402 0.565 1.00 0.00 C ATOM 599 O MET A 42 -6.376 -0.513 -0.529 1.00 0.00 O ATOM 600 CB MET A 42 -6.261 -2.217 2.230 1.00 0.00 C ATOM 601 CG MET A 42 -6.821 -2.618 3.584 1.00 0.00 C ATOM 602 SD MET A 42 -5.830 -3.886 4.398 1.00 0.00 S ATOM 603 CE MET A 42 -4.459 -2.906 5.005 1.00 0.00 C ATOM 0 H MET A 42 -8.462 -1.258 1.132 1.00 0.00 H new ATOM 0 HA MET A 42 -6.199 -0.110 2.648 1.00 0.00 H new ATOM 0 HB2 MET A 42 -6.676 -2.874 1.465 1.00 0.00 H new ATOM 0 HB3 MET A 42 -5.182 -2.372 2.232 1.00 0.00 H new ATOM 0 HG2 MET A 42 -6.876 -1.738 4.225 1.00 0.00 H new ATOM 0 HG3 MET A 42 -7.840 -2.984 3.457 1.00 0.00 H new ATOM 0 HE1 MET A 42 -3.851 -3.509 5.680 1.00 0.00 H new ATOM 0 HE2 MET A 42 -3.848 -2.575 4.165 1.00 0.00 H new ATOM 0 HE3 MET A 42 -4.842 -2.037 5.540 1.00 0.00 H new ATOM 613 N CYS A 43 -4.573 0.030 0.702 1.00 0.00 N ATOM 614 CA CYS A 43 -3.764 0.409 -0.451 1.00 0.00 C ATOM 615 C CYS A 43 -2.592 -0.551 -0.632 1.00 0.00 C ATOM 616 O CYS A 43 -1.694 -0.617 0.208 1.00 0.00 O ATOM 617 CB CYS A 43 -3.246 1.839 -0.289 1.00 0.00 C ATOM 618 SG CYS A 43 -4.544 3.098 -0.297 1.00 0.00 S ATOM 0 H CYS A 43 -4.099 0.127 1.600 1.00 0.00 H new ATOM 0 HA CYS A 43 -4.394 0.357 -1.339 1.00 0.00 H new ATOM 0 HB2 CYS A 43 -2.692 1.910 0.647 1.00 0.00 H new ATOM 0 HB3 CYS A 43 -2.542 2.053 -1.093 1.00 0.00 H new ATOM 0 HG CYS A 43 -4.009 4.274 -0.152 1.00 0.00 H new ATOM 624 N LEU A 44 -2.609 -1.295 -1.732 1.00 0.00 N ATOM 625 CA LEU A 44 -1.549 -2.254 -2.024 1.00 0.00 C ATOM 626 C LEU A 44 -0.224 -1.541 -2.277 1.00 0.00 C ATOM 627 O LEU A 44 -0.016 -0.954 -3.339 1.00 0.00 O ATOM 628 CB LEU A 44 -1.923 -3.105 -3.238 1.00 0.00 C ATOM 629 CG LEU A 44 -0.897 -4.156 -3.664 1.00 0.00 C ATOM 630 CD1 LEU A 44 -0.618 -5.122 -2.522 1.00 0.00 C ATOM 631 CD2 LEU A 44 -1.383 -4.908 -4.894 1.00 0.00 C ATOM 0 H LEU A 44 -3.345 -1.253 -2.437 1.00 0.00 H new ATOM 0 HA LEU A 44 -1.432 -2.903 -1.156 1.00 0.00 H new ATOM 0 HB2 LEU A 44 -2.865 -3.611 -3.025 1.00 0.00 H new ATOM 0 HB3 LEU A 44 -2.103 -2.439 -4.082 1.00 0.00 H new ATOM 0 HG LEU A 44 0.033 -3.647 -3.918 1.00 0.00 H new ATOM 0 HD11 LEU A 44 0.114 -5.863 -2.843 1.00 0.00 H new ATOM 0 HD12 LEU A 44 -0.226 -4.571 -1.667 1.00 0.00 H new ATOM 0 HD13 LEU A 44 -1.542 -5.625 -2.237 1.00 0.00 H new ATOM 0 HD21 LEU A 44 -0.640 -5.652 -5.183 1.00 0.00 H new ATOM 0 HD22 LEU A 44 -2.326 -5.406 -4.667 1.00 0.00 H new ATOM 0 HD23 LEU A 44 -1.532 -4.206 -5.715 1.00 0.00 H new ATOM 643 N VAL A 45 0.670 -1.598 -1.295 1.00 0.00 N ATOM 644 CA VAL A 45 1.976 -0.960 -1.413 1.00 0.00 C ATOM 645 C VAL A 45 3.092 -1.998 -1.453 1.00 0.00 C ATOM 646 O VAL A 45 2.990 -3.059 -0.837 1.00 0.00 O ATOM 647 CB VAL A 45 2.234 0.010 -0.245 1.00 0.00 C ATOM 648 CG1 VAL A 45 1.197 1.124 -0.237 1.00 0.00 C ATOM 649 CG2 VAL A 45 2.235 -0.738 1.079 1.00 0.00 C ATOM 0 H VAL A 45 0.514 -2.079 -0.409 1.00 0.00 H new ATOM 0 HA VAL A 45 1.971 -0.399 -2.347 1.00 0.00 H new ATOM 0 HB VAL A 45 3.217 0.462 -0.381 1.00 0.00 H new ATOM 0 HG11 VAL A 45 1.395 1.800 0.595 1.00 0.00 H new ATOM 0 HG12 VAL A 45 1.250 1.677 -1.174 1.00 0.00 H new ATOM 0 HG13 VAL A 45 0.202 0.694 -0.126 1.00 0.00 H new ATOM 0 HG21 VAL A 45 2.419 -0.037 1.893 1.00 0.00 H new ATOM 0 HG22 VAL A 45 1.268 -1.219 1.226 1.00 0.00 H new ATOM 0 HG23 VAL A 45 3.019 -1.495 1.069 1.00 0.00 H new ATOM 659 N TYR A 46 4.158 -1.684 -2.181 1.00 0.00 N ATOM 660 CA TYR A 46 5.294 -2.590 -2.303 1.00 0.00 C ATOM 661 C TYR A 46 6.451 -2.135 -1.419 1.00 0.00 C ATOM 662 O TYR A 46 7.018 -1.063 -1.624 1.00 0.00 O ATOM 663 CB TYR A 46 5.752 -2.673 -3.760 1.00 0.00 C ATOM 664 CG TYR A 46 7.053 -3.422 -3.944 1.00 0.00 C ATOM 665 CD1 TYR A 46 8.275 -2.793 -3.737 1.00 0.00 C ATOM 666 CD2 TYR A 46 7.060 -4.759 -4.323 1.00 0.00 C ATOM 667 CE1 TYR A 46 9.465 -3.474 -3.905 1.00 0.00 C ATOM 668 CE2 TYR A 46 8.246 -5.447 -4.492 1.00 0.00 C ATOM 669 CZ TYR A 46 9.446 -4.800 -4.282 1.00 0.00 C ATOM 670 OH TYR A 46 10.629 -5.482 -4.448 1.00 0.00 O ATOM 0 H TYR A 46 4.259 -0.809 -2.695 1.00 0.00 H new ATOM 0 HA TYR A 46 4.975 -3.579 -1.972 1.00 0.00 H new ATOM 0 HB2 TYR A 46 4.975 -3.161 -4.349 1.00 0.00 H new ATOM 0 HB3 TYR A 46 5.865 -1.663 -4.155 1.00 0.00 H new ATOM 0 HD1 TYR A 46 8.294 -1.755 -3.440 1.00 0.00 H new ATOM 0 HD2 TYR A 46 6.122 -5.269 -4.488 1.00 0.00 H new ATOM 0 HE1 TYR A 46 10.406 -2.970 -3.742 1.00 0.00 H new ATOM 0 HE2 TYR A 46 8.234 -6.486 -4.787 1.00 0.00 H new ATOM 0 HH TYR A 46 10.440 -6.402 -4.729 1.00 0.00 H new ATOM 680 N GLN A 47 6.796 -2.961 -0.436 1.00 0.00 N ATOM 681 CA GLN A 47 7.885 -2.644 0.480 1.00 0.00 C ATOM 682 C GLN A 47 9.196 -3.259 0.000 1.00 0.00 C ATOM 683 O GLN A 47 9.400 -4.472 0.064 1.00 0.00 O ATOM 684 CB GLN A 47 7.558 -3.145 1.888 1.00 0.00 C ATOM 685 CG GLN A 47 8.773 -3.249 2.795 1.00 0.00 C ATOM 686 CD GLN A 47 8.401 -3.465 4.248 1.00 0.00 C ATOM 687 OE1 GLN A 47 8.114 -4.587 4.667 1.00 0.00 O ATOM 688 NE2 GLN A 47 8.403 -2.389 5.026 1.00 0.00 N ATOM 0 H GLN A 47 6.337 -3.854 -0.254 1.00 0.00 H new ATOM 0 HA GLN A 47 8.001 -1.560 0.506 1.00 0.00 H new ATOM 0 HB2 GLN A 47 6.831 -2.473 2.344 1.00 0.00 H new ATOM 0 HB3 GLN A 47 7.085 -4.124 1.815 1.00 0.00 H new ATOM 0 HG2 GLN A 47 9.403 -4.073 2.459 1.00 0.00 H new ATOM 0 HG3 GLN A 47 9.366 -2.338 2.707 1.00 0.00 H new ATOM 0 HE21 GLN A 47 8.647 -1.479 4.637 1.00 0.00 H new ATOM 0 HE22 GLN A 47 8.160 -2.473 6.013 1.00 0.00 H new ATOM 697 N PRO A 48 10.105 -2.406 -0.492 1.00 0.00 N ATOM 698 CA PRO A 48 11.412 -2.843 -0.992 1.00 0.00 C ATOM 699 C PRO A 48 12.328 -3.328 0.127 1.00 0.00 C ATOM 700 O PRO A 48 12.154 -2.959 1.288 1.00 0.00 O ATOM 701 CB PRO A 48 11.984 -1.581 -1.642 1.00 0.00 C ATOM 702 CG PRO A 48 11.307 -0.454 -0.942 1.00 0.00 C ATOM 703 CD PRO A 48 9.929 -0.948 -0.598 1.00 0.00 C ATOM 0 HA PRO A 48 11.325 -3.688 -1.675 1.00 0.00 H new ATOM 0 HB2 PRO A 48 13.066 -1.529 -1.521 1.00 0.00 H new ATOM 0 HB3 PRO A 48 11.781 -1.561 -2.713 1.00 0.00 H new ATOM 0 HG2 PRO A 48 11.854 -0.167 -0.044 1.00 0.00 H new ATOM 0 HG3 PRO A 48 11.257 0.428 -1.580 1.00 0.00 H new ATOM 0 HD2 PRO A 48 9.570 -0.518 0.337 1.00 0.00 H new ATOM 0 HD3 PRO A 48 9.204 -0.686 -1.369 1.00 0.00 H new ATOM 711 N ALA A 49 13.304 -4.155 -0.231 1.00 0.00 N ATOM 712 CA ALA A 49 14.250 -4.688 0.742 1.00 0.00 C ATOM 713 C ALA A 49 14.538 -3.670 1.841 1.00 0.00 C ATOM 714 O ALA A 49 14.925 -2.535 1.562 1.00 0.00 O ATOM 715 CB ALA A 49 15.540 -5.103 0.052 1.00 0.00 C ATOM 0 H ALA A 49 13.461 -4.471 -1.188 1.00 0.00 H new ATOM 0 HA ALA A 49 13.801 -5.567 1.205 1.00 0.00 H new ATOM 0 HB1 ALA A 49 16.237 -5.499 0.791 1.00 0.00 H new ATOM 0 HB2 ALA A 49 15.324 -5.870 -0.691 1.00 0.00 H new ATOM 0 HB3 ALA A 49 15.985 -4.237 -0.439 1.00 0.00 H new ATOM 787 N ALA A 55 12.526 -7.465 0.189 1.00 0.00 N ATOM 788 CA ALA A 55 11.553 -7.071 -0.822 1.00 0.00 C ATOM 789 C ALA A 55 10.266 -7.880 -0.690 1.00 0.00 C ATOM 790 O ALA A 55 10.272 -9.101 -0.840 1.00 0.00 O ATOM 791 CB ALA A 55 12.141 -7.236 -2.215 1.00 0.00 C ATOM 0 HA ALA A 55 11.309 -6.020 -0.665 1.00 0.00 H new ATOM 0 HB1 ALA A 55 11.403 -6.938 -2.959 1.00 0.00 H new ATOM 0 HB2 ALA A 55 13.028 -6.609 -2.312 1.00 0.00 H new ATOM 0 HB3 ALA A 55 12.415 -8.279 -2.373 1.00 0.00 H new ATOM 797 N ALA A 56 9.166 -7.190 -0.407 1.00 0.00 N ATOM 798 CA ALA A 56 7.872 -7.845 -0.256 1.00 0.00 C ATOM 799 C ALA A 56 6.732 -6.838 -0.366 1.00 0.00 C ATOM 800 O ALA A 56 6.836 -5.713 0.121 1.00 0.00 O ATOM 801 CB ALA A 56 7.804 -8.579 1.074 1.00 0.00 C ATOM 0 H ALA A 56 9.145 -6.178 -0.278 1.00 0.00 H new ATOM 0 HA ALA A 56 7.762 -8.569 -1.063 1.00 0.00 H new ATOM 0 HB1 ALA A 56 6.832 -9.063 1.173 1.00 0.00 H new ATOM 0 HB2 ALA A 56 8.591 -9.332 1.114 1.00 0.00 H new ATOM 0 HB3 ALA A 56 7.940 -7.868 1.889 1.00 0.00 H new ATOM 807 N GLU A 57 5.644 -7.251 -1.010 1.00 0.00 N ATOM 808 CA GLU A 57 4.485 -6.383 -1.184 1.00 0.00 C ATOM 809 C GLU A 57 3.441 -6.647 -0.103 1.00 0.00 C ATOM 810 O GLU A 57 3.132 -7.795 0.210 1.00 0.00 O ATOM 811 CB GLU A 57 3.867 -6.593 -2.568 1.00 0.00 C ATOM 812 CG GLU A 57 2.433 -6.102 -2.675 1.00 0.00 C ATOM 813 CD GLU A 57 1.421 -7.173 -2.321 1.00 0.00 C ATOM 814 OE1 GLU A 57 1.067 -7.285 -1.128 1.00 0.00 O ATOM 815 OE2 GLU A 57 0.982 -7.900 -3.237 1.00 0.00 O ATOM 0 H GLU A 57 5.541 -8.180 -1.419 1.00 0.00 H new ATOM 0 HA GLU A 57 4.820 -5.349 -1.096 1.00 0.00 H new ATOM 0 HB2 GLU A 57 4.475 -6.077 -3.310 1.00 0.00 H new ATOM 0 HB3 GLU A 57 3.898 -7.655 -2.813 1.00 0.00 H new ATOM 0 HG2 GLU A 57 2.296 -5.246 -2.015 1.00 0.00 H new ATOM 0 HG3 GLU A 57 2.247 -5.754 -3.691 1.00 0.00 H new ATOM 822 N GLY A 58 2.901 -5.572 0.464 1.00 0.00 N ATOM 823 CA GLY A 58 1.898 -5.707 1.504 1.00 0.00 C ATOM 824 C GLY A 58 0.901 -4.565 1.500 1.00 0.00 C ATOM 825 O GLY A 58 1.245 -3.434 1.160 1.00 0.00 O ATOM 0 H GLY A 58 3.140 -4.611 0.222 1.00 0.00 H new ATOM 0 HA2 GLY A 58 1.367 -6.650 1.372 1.00 0.00 H new ATOM 0 HA3 GLY A 58 2.390 -5.752 2.475 1.00 0.00 H new ATOM 829 N TRP A 59 -0.337 -4.862 1.878 1.00 0.00 N ATOM 830 CA TRP A 59 -1.388 -3.851 1.915 1.00 0.00 C ATOM 831 C TRP A 59 -1.312 -3.034 3.200 1.00 0.00 C ATOM 832 O TRP A 59 -1.038 -3.571 4.273 1.00 0.00 O ATOM 833 CB TRP A 59 -2.763 -4.511 1.795 1.00 0.00 C ATOM 834 CG TRP A 59 -2.992 -5.169 0.468 1.00 0.00 C ATOM 835 CD1 TRP A 59 -2.483 -6.363 0.046 1.00 0.00 C ATOM 836 CD2 TRP A 59 -3.790 -4.667 -0.610 1.00 0.00 C ATOM 837 NE1 TRP A 59 -2.915 -6.634 -1.230 1.00 0.00 N ATOM 838 CE2 TRP A 59 -3.719 -5.610 -1.655 1.00 0.00 C ATOM 839 CE3 TRP A 59 -4.558 -3.515 -0.795 1.00 0.00 C ATOM 840 CZ2 TRP A 59 -4.386 -5.433 -2.863 1.00 0.00 C ATOM 841 CZ3 TRP A 59 -5.220 -3.340 -1.995 1.00 0.00 C ATOM 842 CH2 TRP A 59 -5.131 -4.295 -3.017 1.00 0.00 C ATOM 0 H TRP A 59 -0.638 -5.794 2.163 1.00 0.00 H new ATOM 0 HA TRP A 59 -1.241 -3.178 1.070 1.00 0.00 H new ATOM 0 HB2 TRP A 59 -2.871 -5.254 2.585 1.00 0.00 H new ATOM 0 HB3 TRP A 59 -3.535 -3.759 1.957 1.00 0.00 H new ATOM 0 HD1 TRP A 59 -1.836 -7.001 0.629 1.00 0.00 H new ATOM 0 HE1 TRP A 59 -2.676 -7.464 -1.773 1.00 0.00 H new ATOM 0 HE3 TRP A 59 -4.633 -2.774 -0.013 1.00 0.00 H new ATOM 0 HZ2 TRP A 59 -4.318 -6.168 -3.652 1.00 0.00 H new ATOM 0 HZ3 TRP A 59 -5.816 -2.452 -2.148 1.00 0.00 H new ATOM 0 HH2 TRP A 59 -5.660 -4.130 -3.944 1.00 0.00 H new ATOM 853 N VAL A 60 -1.557 -1.733 3.084 1.00 0.00 N ATOM 854 CA VAL A 60 -1.519 -0.842 4.237 1.00 0.00 C ATOM 855 C VAL A 60 -2.633 0.195 4.168 1.00 0.00 C ATOM 856 O VAL A 60 -3.069 0.604 3.092 1.00 0.00 O ATOM 857 CB VAL A 60 -0.163 -0.117 4.341 1.00 0.00 C ATOM 858 CG1 VAL A 60 0.982 -1.117 4.296 1.00 0.00 C ATOM 859 CG2 VAL A 60 -0.025 0.915 3.232 1.00 0.00 C ATOM 0 H VAL A 60 -1.784 -1.272 2.203 1.00 0.00 H new ATOM 0 HA VAL A 60 -1.660 -1.463 5.122 1.00 0.00 H new ATOM 0 HB VAL A 60 -0.121 0.404 5.298 1.00 0.00 H new ATOM 0 HG11 VAL A 60 1.931 -0.587 4.371 1.00 0.00 H new ATOM 0 HG12 VAL A 60 0.889 -1.814 5.129 1.00 0.00 H new ATOM 0 HG13 VAL A 60 0.947 -1.668 3.356 1.00 0.00 H new ATOM 0 HG21 VAL A 60 0.938 1.418 3.320 1.00 0.00 H new ATOM 0 HG22 VAL A 60 -0.088 0.419 2.263 1.00 0.00 H new ATOM 0 HG23 VAL A 60 -0.826 1.649 3.316 1.00 0.00 H new ATOM 869 N PRO A 61 -3.107 0.634 5.344 1.00 0.00 N ATOM 870 CA PRO A 61 -4.177 1.631 5.444 1.00 0.00 C ATOM 871 C PRO A 61 -3.722 3.017 5.000 1.00 0.00 C ATOM 872 O PRO A 61 -2.878 3.639 5.643 1.00 0.00 O ATOM 873 CB PRO A 61 -4.521 1.633 6.936 1.00 0.00 C ATOM 874 CG PRO A 61 -3.279 1.166 7.612 1.00 0.00 C ATOM 875 CD PRO A 61 -2.635 0.190 6.666 1.00 0.00 C ATOM 0 HA PRO A 61 -5.021 1.389 4.798 1.00 0.00 H new ATOM 0 HB2 PRO A 61 -4.806 2.629 7.275 1.00 0.00 H new ATOM 0 HB3 PRO A 61 -5.361 0.971 7.150 1.00 0.00 H new ATOM 0 HG2 PRO A 61 -2.612 2.002 7.824 1.00 0.00 H new ATOM 0 HG3 PRO A 61 -3.509 0.691 8.566 1.00 0.00 H new ATOM 0 HD2 PRO A 61 -1.548 0.221 6.736 1.00 0.00 H new ATOM 0 HD3 PRO A 61 -2.939 -0.835 6.878 1.00 0.00 H new ATOM 883 N GLY A 62 -4.287 3.495 3.895 1.00 0.00 N ATOM 884 CA GLY A 62 -3.926 4.804 3.384 1.00 0.00 C ATOM 885 C GLY A 62 -3.830 5.847 4.480 1.00 0.00 C ATOM 886 O GLY A 62 -3.174 6.875 4.311 1.00 0.00 O ATOM 0 H GLY A 62 -4.988 2.999 3.345 1.00 0.00 H new ATOM 0 HA2 GLY A 62 -2.970 4.737 2.865 1.00 0.00 H new ATOM 0 HA3 GLY A 62 -4.666 5.121 2.649 1.00 0.00 H new ATOM 890 N SER A 63 -4.486 5.584 5.605 1.00 0.00 N ATOM 891 CA SER A 63 -4.476 6.511 6.731 1.00 0.00 C ATOM 892 C SER A 63 -3.047 6.824 7.164 1.00 0.00 C ATOM 893 O SER A 63 -2.704 7.978 7.422 1.00 0.00 O ATOM 894 CB SER A 63 -5.260 5.926 7.907 1.00 0.00 C ATOM 895 OG SER A 63 -5.290 6.829 8.999 1.00 0.00 O ATOM 0 H SER A 63 -5.031 4.736 5.762 1.00 0.00 H new ATOM 0 HA SER A 63 -4.952 7.438 6.411 1.00 0.00 H new ATOM 0 HB2 SER A 63 -6.278 5.698 7.592 1.00 0.00 H new ATOM 0 HB3 SER A 63 -4.805 4.986 8.220 1.00 0.00 H new ATOM 0 HG SER A 63 -5.798 6.433 9.737 1.00 0.00 H new ATOM 901 N ILE A 64 -2.218 5.789 7.240 1.00 0.00 N ATOM 902 CA ILE A 64 -0.826 5.953 7.640 1.00 0.00 C ATOM 903 C ILE A 64 0.056 6.279 6.440 1.00 0.00 C ATOM 904 O ILE A 64 1.284 6.225 6.525 1.00 0.00 O ATOM 905 CB ILE A 64 -0.286 4.687 8.331 1.00 0.00 C ATOM 906 CG1 ILE A 64 -0.161 3.543 7.323 1.00 0.00 C ATOM 907 CG2 ILE A 64 -1.192 4.287 9.486 1.00 0.00 C ATOM 908 CD1 ILE A 64 0.683 2.390 7.820 1.00 0.00 C ATOM 0 H ILE A 64 -2.486 4.828 7.030 1.00 0.00 H new ATOM 0 HA ILE A 64 -0.796 6.783 8.346 1.00 0.00 H new ATOM 0 HB ILE A 64 0.705 4.903 8.730 1.00 0.00 H new ATOM 0 HG12 ILE A 64 -1.157 3.175 7.078 1.00 0.00 H new ATOM 0 HG13 ILE A 64 0.272 3.928 6.400 1.00 0.00 H new ATOM 0 HG21 ILE A 64 -0.797 3.391 9.964 1.00 0.00 H new ATOM 0 HG22 ILE A 64 -1.234 5.098 10.213 1.00 0.00 H new ATOM 0 HG23 ILE A 64 -2.195 4.085 9.109 1.00 0.00 H new ATOM 0 HD11 ILE A 64 0.728 1.616 7.054 1.00 0.00 H new ATOM 0 HD12 ILE A 64 1.691 2.744 8.038 1.00 0.00 H new ATOM 0 HD13 ILE A 64 0.239 1.979 8.727 1.00 0.00 H new ATOM 920 N LEU A 65 -0.577 6.618 5.322 1.00 0.00 N ATOM 921 CA LEU A 65 0.150 6.955 4.103 1.00 0.00 C ATOM 922 C LEU A 65 -0.001 8.436 3.770 1.00 0.00 C ATOM 923 O LEU A 65 -1.045 9.036 4.027 1.00 0.00 O ATOM 924 CB LEU A 65 -0.351 6.104 2.935 1.00 0.00 C ATOM 925 CG LEU A 65 0.018 4.621 2.978 1.00 0.00 C ATOM 926 CD1 LEU A 65 -0.479 3.911 1.728 1.00 0.00 C ATOM 927 CD2 LEU A 65 1.523 4.450 3.128 1.00 0.00 C ATOM 0 H LEU A 65 -1.592 6.667 5.235 1.00 0.00 H new ATOM 0 HA LEU A 65 1.207 6.745 4.270 1.00 0.00 H new ATOM 0 HB2 LEU A 65 -1.437 6.186 2.891 1.00 0.00 H new ATOM 0 HB3 LEU A 65 0.038 6.528 2.009 1.00 0.00 H new ATOM 0 HG LEU A 65 -0.467 4.170 3.844 1.00 0.00 H new ATOM 0 HD11 LEU A 65 -0.207 2.857 1.776 1.00 0.00 H new ATOM 0 HD12 LEU A 65 -1.563 4.004 1.664 1.00 0.00 H new ATOM 0 HD13 LEU A 65 -0.023 4.363 0.847 1.00 0.00 H new ATOM 0 HD21 LEU A 65 1.767 3.388 3.157 1.00 0.00 H new ATOM 0 HD22 LEU A 65 2.028 4.916 2.282 1.00 0.00 H new ATOM 0 HD23 LEU A 65 1.853 4.923 4.053 1.00 0.00 H new ATOM 939 N ALA A 66 1.046 9.019 3.196 1.00 0.00 N ATOM 940 CA ALA A 66 1.028 10.428 2.825 1.00 0.00 C ATOM 941 C ALA A 66 1.808 10.666 1.536 1.00 0.00 C ATOM 942 O ALA A 66 2.716 9.913 1.184 1.00 0.00 O ATOM 943 CB ALA A 66 1.595 11.278 3.951 1.00 0.00 C ATOM 0 H ALA A 66 1.918 8.537 2.978 1.00 0.00 H new ATOM 0 HA ALA A 66 -0.008 10.719 2.652 1.00 0.00 H new ATOM 0 HB1 ALA A 66 1.575 12.328 3.660 1.00 0.00 H new ATOM 0 HB2 ALA A 66 0.994 11.139 4.850 1.00 0.00 H new ATOM 0 HB3 ALA A 66 2.623 10.977 4.152 1.00 0.00 H new ATOM 949 N PRO A 67 1.446 11.736 0.813 1.00 0.00 N ATOM 950 CA PRO A 67 2.099 12.098 -0.448 1.00 0.00 C ATOM 951 C PRO A 67 3.524 12.597 -0.241 1.00 0.00 C ATOM 952 O PRO A 67 3.747 13.782 0.009 1.00 0.00 O ATOM 953 CB PRO A 67 1.214 13.219 -0.997 1.00 0.00 C ATOM 954 CG PRO A 67 0.563 13.811 0.205 1.00 0.00 C ATOM 955 CD PRO A 67 0.371 12.677 1.173 1.00 0.00 C ATOM 0 HA PRO A 67 2.192 11.243 -1.118 1.00 0.00 H new ATOM 0 HB2 PRO A 67 1.804 13.962 -1.534 1.00 0.00 H new ATOM 0 HB3 PRO A 67 0.474 12.832 -1.698 1.00 0.00 H new ATOM 0 HG2 PRO A 67 1.185 14.594 0.640 1.00 0.00 H new ATOM 0 HG3 PRO A 67 -0.392 14.269 -0.054 1.00 0.00 H new ATOM 0 HD2 PRO A 67 0.459 13.012 2.207 1.00 0.00 H new ATOM 0 HD3 PRO A 67 -0.614 12.221 1.068 1.00 0.00 H new ATOM 963 N PHE A 68 4.487 11.687 -0.346 1.00 0.00 N ATOM 964 CA PHE A 68 5.892 12.036 -0.169 1.00 0.00 C ATOM 965 C PHE A 68 6.298 13.157 -1.122 1.00 0.00 C ATOM 966 O PHE A 68 6.234 13.003 -2.341 1.00 0.00 O ATOM 967 CB PHE A 68 6.777 10.810 -0.400 1.00 0.00 C ATOM 968 CG PHE A 68 8.232 11.060 -0.123 1.00 0.00 C ATOM 969 CD1 PHE A 68 8.634 11.641 1.068 1.00 0.00 C ATOM 970 CD2 PHE A 68 9.197 10.714 -1.055 1.00 0.00 C ATOM 971 CE1 PHE A 68 9.972 11.872 1.326 1.00 0.00 C ATOM 972 CE2 PHE A 68 10.536 10.942 -0.803 1.00 0.00 C ATOM 973 CZ PHE A 68 10.925 11.523 0.388 1.00 0.00 C ATOM 0 H PHE A 68 4.320 10.702 -0.553 1.00 0.00 H new ATOM 0 HA PHE A 68 6.028 12.386 0.854 1.00 0.00 H new ATOM 0 HB2 PHE A 68 6.429 9.996 0.236 1.00 0.00 H new ATOM 0 HB3 PHE A 68 6.664 10.479 -1.432 1.00 0.00 H new ATOM 0 HD1 PHE A 68 7.893 11.917 1.804 1.00 0.00 H new ATOM 0 HD2 PHE A 68 8.899 10.261 -1.989 1.00 0.00 H new ATOM 0 HE1 PHE A 68 10.272 12.325 2.259 1.00 0.00 H new ATOM 0 HE2 PHE A 68 11.278 10.666 -1.537 1.00 0.00 H new ATOM 0 HZ PHE A 68 11.971 11.704 0.586 1.00 0.00 H new