USER MOD reduce.3.24.130724 H: found=0, std=0, add=429, rem=0, adj=13 USER MOD reduce.3.24.130724 removed 430 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 10 THR OG1 : rot 180:sc= 0 USER MOD Single : A 13 GLN :FLIP amide:sc= 0.888 F(o=-0.86,f=0.89) USER MOD Single : A 16 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 22 SER OG : rot 180:sc= 0 USER MOD Single : A 24 SER OG : rot 180:sc= 0 USER MOD Single : A 26 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 29 THR OG1 : rot 180:sc= 0 USER MOD Single : A 32 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 37 TYR OH : rot 180:sc= 0 USER MOD Single : A 41 SER OG : rot 180:sc= 0 USER MOD Single : A 44 ASN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 45 SER OG : rot 180:sc= -0.155 USER MOD Single : A 48 TYR OH : rot -60:sc= 0.54 USER MOD Single : A 49 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 50 TYR OH : rot 180:sc= 0 USER MOD Single : A 51 TYR OH : rot 180:sc= 0 USER MOD Single : A 52 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 54 LYS NZ :NH3+ -176:sc= 0.0209 (180deg=0.0184) USER MOD Single : A 58 MET CE :methyl -117:sc= -4.64! (180deg=-8.35!) USER MOD Single : A 59 GLN : amide:sc= 0 X(o=0,f=0) USER MOD ----------------------------------------------------------------- ATOM 82 N GLY A 9 -11.399 -5.844 8.105 1.00 0.00 N ATOM 83 CA GLY A 9 -10.632 -5.421 9.262 1.00 0.00 C ATOM 84 C GLY A 9 -9.205 -5.050 8.908 1.00 0.00 C ATOM 85 O GLY A 9 -8.608 -4.176 9.538 1.00 0.00 O ATOM 0 HA2 GLY A 9 -11.122 -4.565 9.726 1.00 0.00 H new ATOM 0 HA3 GLY A 9 -10.623 -6.222 10.001 1.00 0.00 H new ATOM 89 N THR A 10 -8.656 -5.717 7.898 1.00 0.00 N ATOM 90 CA THR A 10 -7.289 -5.455 7.463 1.00 0.00 C ATOM 91 C THR A 10 -7.193 -4.126 6.722 1.00 0.00 C ATOM 92 O THR A 10 -6.311 -3.314 6.998 1.00 0.00 O ATOM 93 CB THR A 10 -6.766 -6.579 6.549 1.00 0.00 C ATOM 94 OG1 THR A 10 -6.803 -7.831 7.243 1.00 0.00 O ATOM 95 CG2 THR A 10 -5.343 -6.287 6.095 1.00 0.00 C ATOM 0 H THR A 10 -9.136 -6.442 7.366 1.00 0.00 H new ATOM 0 HA THR A 10 -6.674 -5.412 8.362 1.00 0.00 H new ATOM 0 HB THR A 10 -7.408 -6.632 5.670 1.00 0.00 H new ATOM 0 HG1 THR A 10 -6.471 -8.541 6.655 1.00 0.00 H new ATOM 0 HG21 THR A 10 -4.994 -7.094 5.451 1.00 0.00 H new ATOM 0 HG22 THR A 10 -5.323 -5.347 5.543 1.00 0.00 H new ATOM 0 HG23 THR A 10 -4.692 -6.210 6.966 1.00 0.00 H new ATOM 103 N ILE A 11 -8.108 -3.911 5.782 1.00 0.00 N ATOM 104 CA ILE A 11 -8.126 -2.680 5.003 1.00 0.00 C ATOM 105 C ILE A 11 -8.275 -1.460 5.905 1.00 0.00 C ATOM 106 O ILE A 11 -7.460 -0.539 5.862 1.00 0.00 O ATOM 107 CB ILE A 11 -9.269 -2.684 3.971 1.00 0.00 C ATOM 108 CG1 ILE A 11 -9.113 -3.864 3.009 1.00 0.00 C ATOM 109 CG2 ILE A 11 -9.297 -1.369 3.205 1.00 0.00 C ATOM 110 CD1 ILE A 11 -10.340 -4.744 2.930 1.00 0.00 C ATOM 0 H ILE A 11 -8.846 -4.573 5.542 1.00 0.00 H new ATOM 0 HA ILE A 11 -7.173 -2.626 4.477 1.00 0.00 H new ATOM 0 HB ILE A 11 -10.216 -2.793 4.500 1.00 0.00 H new ATOM 0 HG12 ILE A 11 -8.884 -3.483 2.014 1.00 0.00 H new ATOM 0 HG13 ILE A 11 -8.262 -4.468 3.323 1.00 0.00 H new ATOM 0 HG21 ILE A 11 -10.110 -1.388 2.480 1.00 0.00 H new ATOM 0 HG22 ILE A 11 -9.451 -0.545 3.902 1.00 0.00 H new ATOM 0 HG23 ILE A 11 -8.349 -1.231 2.684 1.00 0.00 H new ATOM 0 HD11 ILE A 11 -10.158 -5.560 2.230 1.00 0.00 H new ATOM 0 HD12 ILE A 11 -10.558 -5.154 3.916 1.00 0.00 H new ATOM 0 HD13 ILE A 11 -11.190 -4.154 2.587 1.00 0.00 H new ATOM 122 N ASP A 12 -9.322 -1.461 6.724 1.00 0.00 N ATOM 123 CA ASP A 12 -9.578 -0.356 7.640 1.00 0.00 C ATOM 124 C ASP A 12 -8.272 0.184 8.218 1.00 0.00 C ATOM 125 O ASP A 12 -8.165 1.369 8.530 1.00 0.00 O ATOM 126 CB ASP A 12 -10.502 -0.806 8.772 1.00 0.00 C ATOM 127 CG ASP A 12 -11.411 0.307 9.255 1.00 0.00 C ATOM 128 OD1 ASP A 12 -11.881 1.098 8.411 1.00 0.00 O ATOM 129 OD2 ASP A 12 -11.653 0.386 10.478 1.00 0.00 O ATOM 0 H ASP A 12 -10.007 -2.215 6.772 1.00 0.00 H new ATOM 0 HA ASP A 12 -10.065 0.442 7.080 1.00 0.00 H new ATOM 0 HB2 ASP A 12 -11.109 -1.644 8.430 1.00 0.00 H new ATOM 0 HB3 ASP A 12 -9.900 -1.167 9.606 1.00 0.00 H new ATOM 134 N GLN A 13 -7.285 -0.695 8.358 1.00 0.00 N ATOM 135 CA GLN A 13 -5.989 -0.306 8.900 1.00 0.00 C ATOM 136 C GLN A 13 -5.042 0.129 7.788 1.00 0.00 C ATOM 137 O GLN A 13 -4.375 1.159 7.892 1.00 0.00 O ATOM 138 CB GLN A 13 -5.373 -1.465 9.686 1.00 0.00 C ATOM 139 CG GLN A 13 -6.158 -1.840 10.933 1.00 0.00 C ATOM 140 CD GLN A 13 -5.880 -3.257 11.393 1.00 0.00 C ATOM 141 OE1 GLN A 13 -4.822 -3.429 12.177 1.00 0.00 O flip ATOM 142 NE2 GLN A 13 -6.608 -4.189 11.048 1.00 0.00 N flip ATOM 0 H GLN A 13 -7.358 -1.680 8.104 1.00 0.00 H new ATOM 0 HA GLN A 13 -6.143 0.539 9.572 1.00 0.00 H new ATOM 0 HB2 GLN A 13 -5.302 -2.337 9.036 1.00 0.00 H new ATOM 0 HB3 GLN A 13 -4.356 -1.198 9.974 1.00 0.00 H new ATOM 0 HG2 GLN A 13 -5.910 -1.146 11.736 1.00 0.00 H new ATOM 0 HG3 GLN A 13 -7.224 -1.729 10.734 1.00 0.00 H new ATOM 0 HE21 GLN A 13 -7.411 -4.012 10.444 1.00 0.00 H new ATOM 0 HE22 GLN A 13 -6.408 -5.137 11.366 1.00 0.00 H new ATOM 151 N LEU A 14 -4.987 -0.662 6.722 1.00 0.00 N ATOM 152 CA LEU A 14 -4.119 -0.359 5.588 1.00 0.00 C ATOM 153 C LEU A 14 -4.334 1.072 5.106 1.00 0.00 C ATOM 154 O LEU A 14 -3.398 1.870 5.064 1.00 0.00 O ATOM 155 CB LEU A 14 -4.383 -1.339 4.444 1.00 0.00 C ATOM 156 CG LEU A 14 -3.673 -1.036 3.123 1.00 0.00 C ATOM 157 CD1 LEU A 14 -2.164 -1.077 3.307 1.00 0.00 C ATOM 158 CD2 LEU A 14 -4.109 -2.019 2.046 1.00 0.00 C ATOM 0 H LEU A 14 -5.533 -1.518 6.619 1.00 0.00 H new ATOM 0 HA LEU A 14 -3.084 -0.461 5.915 1.00 0.00 H new ATOM 0 HB2 LEU A 14 -4.089 -2.336 4.771 1.00 0.00 H new ATOM 0 HB3 LEU A 14 -5.457 -1.369 4.258 1.00 0.00 H new ATOM 0 HG LEU A 14 -3.952 -0.032 2.804 1.00 0.00 H new ATOM 0 HD11 LEU A 14 -1.676 -0.859 2.357 1.00 0.00 H new ATOM 0 HD12 LEU A 14 -1.867 -0.333 4.047 1.00 0.00 H new ATOM 0 HD13 LEU A 14 -1.866 -2.068 3.649 1.00 0.00 H new ATOM 0 HD21 LEU A 14 -3.594 -1.789 1.113 1.00 0.00 H new ATOM 0 HD22 LEU A 14 -3.860 -3.034 2.357 1.00 0.00 H new ATOM 0 HD23 LEU A 14 -5.186 -1.940 1.895 1.00 0.00 H new ATOM 170 N VAL A 15 -5.573 1.390 4.746 1.00 0.00 N ATOM 171 CA VAL A 15 -5.912 2.726 4.270 1.00 0.00 C ATOM 172 C VAL A 15 -5.325 3.799 5.181 1.00 0.00 C ATOM 173 O VAL A 15 -4.616 4.697 4.726 1.00 0.00 O ATOM 174 CB VAL A 15 -7.436 2.921 4.181 1.00 0.00 C ATOM 175 CG1 VAL A 15 -7.783 4.400 4.105 1.00 0.00 C ATOM 176 CG2 VAL A 15 -8.001 2.170 2.985 1.00 0.00 C ATOM 0 H VAL A 15 -6.359 0.741 4.775 1.00 0.00 H new ATOM 0 HA VAL A 15 -5.483 2.825 3.273 1.00 0.00 H new ATOM 0 HB VAL A 15 -7.889 2.513 5.084 1.00 0.00 H new ATOM 0 HG11 VAL A 15 -8.865 4.517 4.043 1.00 0.00 H new ATOM 0 HG12 VAL A 15 -7.414 4.907 4.997 1.00 0.00 H new ATOM 0 HG13 VAL A 15 -7.319 4.838 3.221 1.00 0.00 H new ATOM 0 HG21 VAL A 15 -9.080 2.319 2.938 1.00 0.00 H new ATOM 0 HG22 VAL A 15 -7.543 2.545 2.070 1.00 0.00 H new ATOM 0 HG23 VAL A 15 -7.786 1.106 3.089 1.00 0.00 H new ATOM 186 N LYS A 16 -5.625 3.700 6.472 1.00 0.00 N ATOM 187 CA LYS A 16 -5.126 4.660 7.450 1.00 0.00 C ATOM 188 C LYS A 16 -3.645 4.947 7.224 1.00 0.00 C ATOM 189 O LYS A 16 -3.191 6.079 7.392 1.00 0.00 O ATOM 190 CB LYS A 16 -5.343 4.132 8.870 1.00 0.00 C ATOM 191 CG LYS A 16 -4.083 3.576 9.511 1.00 0.00 C ATOM 192 CD LYS A 16 -4.407 2.699 10.708 1.00 0.00 C ATOM 193 CE LYS A 16 -3.388 1.581 10.872 1.00 0.00 C ATOM 194 NZ LYS A 16 -3.039 1.354 12.301 1.00 0.00 N ATOM 0 H LYS A 16 -6.212 2.964 6.865 1.00 0.00 H new ATOM 0 HA LYS A 16 -5.681 5.590 7.326 1.00 0.00 H new ATOM 0 HB2 LYS A 16 -5.732 4.937 9.493 1.00 0.00 H new ATOM 0 HB3 LYS A 16 -6.103 3.351 8.846 1.00 0.00 H new ATOM 0 HG2 LYS A 16 -3.524 2.997 8.775 1.00 0.00 H new ATOM 0 HG3 LYS A 16 -3.440 4.398 9.825 1.00 0.00 H new ATOM 0 HD2 LYS A 16 -4.429 3.308 11.612 1.00 0.00 H new ATOM 0 HD3 LYS A 16 -5.402 2.271 10.588 1.00 0.00 H new ATOM 0 HE2 LYS A 16 -3.787 0.661 10.445 1.00 0.00 H new ATOM 0 HE3 LYS A 16 -2.486 1.827 10.312 1.00 0.00 H new ATOM 0 HZ1 LYS A 16 -2.342 0.585 12.370 1.00 0.00 H new ATOM 0 HZ2 LYS A 16 -2.635 2.224 12.702 1.00 0.00 H new ATOM 0 HZ3 LYS A 16 -3.896 1.094 12.830 1.00 0.00 H new ATOM 208 N ARG A 17 -2.899 3.917 6.841 1.00 0.00 N ATOM 209 CA ARG A 17 -1.469 4.060 6.591 1.00 0.00 C ATOM 210 C ARG A 17 -1.213 5.020 5.433 1.00 0.00 C ATOM 211 O ARG A 17 -0.588 6.065 5.606 1.00 0.00 O ATOM 212 CB ARG A 17 -0.844 2.697 6.286 1.00 0.00 C ATOM 213 CG ARG A 17 -1.221 1.617 7.288 1.00 0.00 C ATOM 214 CD ARG A 17 -0.230 0.464 7.261 1.00 0.00 C ATOM 215 NE ARG A 17 -0.230 -0.287 8.514 1.00 0.00 N ATOM 216 CZ ARG A 17 0.412 0.109 9.607 1.00 0.00 C ATOM 217 NH1 ARG A 17 1.101 1.241 9.603 1.00 0.00 N ATOM 218 NH2 ARG A 17 0.364 -0.629 10.710 1.00 0.00 N ATOM 0 H ARG A 17 -3.260 2.974 6.697 1.00 0.00 H new ATOM 0 HA ARG A 17 -1.008 4.470 7.489 1.00 0.00 H new ATOM 0 HB2 ARG A 17 -1.152 2.380 5.290 1.00 0.00 H new ATOM 0 HB3 ARG A 17 0.241 2.800 6.266 1.00 0.00 H new ATOM 0 HG2 ARG A 17 -1.256 2.045 8.290 1.00 0.00 H new ATOM 0 HG3 ARG A 17 -2.221 1.245 7.065 1.00 0.00 H new ATOM 0 HD2 ARG A 17 -0.475 -0.206 6.437 1.00 0.00 H new ATOM 0 HD3 ARG A 17 0.771 0.851 7.070 1.00 0.00 H new ATOM 0 HE ARG A 17 -0.751 -1.163 8.551 1.00 0.00 H new ATOM 0 HH11 ARG A 17 1.140 1.812 8.758 1.00 0.00 H new ATOM 0 HH12 ARG A 17 1.593 1.542 10.445 1.00 0.00 H new ATOM 0 HH21 ARG A 17 -0.166 -1.500 10.718 1.00 0.00 H new ATOM 0 HH22 ARG A 17 0.857 -0.324 11.549 1.00 0.00 H new ATOM 232 N VAL A 18 -1.700 4.655 4.250 1.00 0.00 N ATOM 233 CA VAL A 18 -1.524 5.483 3.063 1.00 0.00 C ATOM 234 C VAL A 18 -2.037 6.899 3.301 1.00 0.00 C ATOM 235 O VAL A 18 -1.630 7.840 2.618 1.00 0.00 O ATOM 236 CB VAL A 18 -2.255 4.882 1.847 1.00 0.00 C ATOM 237 CG1 VAL A 18 -1.810 3.447 1.613 1.00 0.00 C ATOM 238 CG2 VAL A 18 -3.761 4.958 2.039 1.00 0.00 C ATOM 0 H VAL A 18 -2.219 3.792 4.089 1.00 0.00 H new ATOM 0 HA VAL A 18 -0.455 5.517 2.855 1.00 0.00 H new ATOM 0 HB VAL A 18 -1.996 5.466 0.964 1.00 0.00 H new ATOM 0 HG11 VAL A 18 -2.337 3.039 0.750 1.00 0.00 H new ATOM 0 HG12 VAL A 18 -0.736 3.425 1.426 1.00 0.00 H new ATOM 0 HG13 VAL A 18 -2.038 2.847 2.494 1.00 0.00 H new ATOM 0 HG21 VAL A 18 -4.261 4.529 1.170 1.00 0.00 H new ATOM 0 HG22 VAL A 18 -4.043 4.400 2.932 1.00 0.00 H new ATOM 0 HG23 VAL A 18 -4.061 6.000 2.152 1.00 0.00 H new ATOM 248 N ILE A 19 -2.932 7.044 4.272 1.00 0.00 N ATOM 249 CA ILE A 19 -3.498 8.346 4.600 1.00 0.00 C ATOM 250 C ILE A 19 -2.500 9.201 5.374 1.00 0.00 C ATOM 251 O ILE A 19 -2.102 10.273 4.919 1.00 0.00 O ATOM 252 CB ILE A 19 -4.789 8.206 5.430 1.00 0.00 C ATOM 253 CG1 ILE A 19 -5.874 7.507 4.610 1.00 0.00 C ATOM 254 CG2 ILE A 19 -5.267 9.573 5.899 1.00 0.00 C ATOM 255 CD1 ILE A 19 -6.503 8.395 3.559 1.00 0.00 C ATOM 0 H ILE A 19 -3.281 6.276 4.845 1.00 0.00 H new ATOM 0 HA ILE A 19 -3.734 8.834 3.654 1.00 0.00 H new ATOM 0 HB ILE A 19 -4.576 7.597 6.308 1.00 0.00 H new ATOM 0 HG12 ILE A 19 -5.443 6.631 4.124 1.00 0.00 H new ATOM 0 HG13 ILE A 19 -6.652 7.147 5.283 1.00 0.00 H new ATOM 0 HG21 ILE A 19 -6.180 9.458 6.484 1.00 0.00 H new ATOM 0 HG22 ILE A 19 -4.497 10.036 6.516 1.00 0.00 H new ATOM 0 HG23 ILE A 19 -5.468 10.205 5.034 1.00 0.00 H new ATOM 0 HD11 ILE A 19 -7.263 7.834 3.016 1.00 0.00 H new ATOM 0 HD12 ILE A 19 -6.963 9.258 4.040 1.00 0.00 H new ATOM 0 HD13 ILE A 19 -5.736 8.734 2.863 1.00 0.00 H new ATOM 267 N GLU A 20 -2.098 8.717 6.546 1.00 0.00 N ATOM 268 CA GLU A 20 -1.145 9.436 7.382 1.00 0.00 C ATOM 269 C GLU A 20 0.268 9.327 6.816 1.00 0.00 C ATOM 270 O GLU A 20 1.168 10.067 7.212 1.00 0.00 O ATOM 271 CB GLU A 20 -1.176 8.894 8.812 1.00 0.00 C ATOM 272 CG GLU A 20 -2.492 8.230 9.183 1.00 0.00 C ATOM 273 CD GLU A 20 -2.958 8.597 10.578 1.00 0.00 C ATOM 274 OE1 GLU A 20 -2.099 8.723 11.476 1.00 0.00 O ATOM 275 OE2 GLU A 20 -4.181 8.757 10.773 1.00 0.00 O ATOM 0 H GLU A 20 -2.418 7.831 6.937 1.00 0.00 H new ATOM 0 HA GLU A 20 -1.433 10.487 7.393 1.00 0.00 H new ATOM 0 HB2 GLU A 20 -0.368 8.174 8.936 1.00 0.00 H new ATOM 0 HB3 GLU A 20 -0.983 9.712 9.506 1.00 0.00 H new ATOM 0 HG2 GLU A 20 -3.256 8.518 8.461 1.00 0.00 H new ATOM 0 HG3 GLU A 20 -2.381 7.148 9.114 1.00 0.00 H new ATOM 282 N GLY A 21 0.456 8.395 5.885 1.00 0.00 N ATOM 283 CA GLY A 21 1.760 8.203 5.280 1.00 0.00 C ATOM 284 C GLY A 21 2.669 7.333 6.125 1.00 0.00 C ATOM 285 O GLY A 21 3.809 7.062 5.746 1.00 0.00 O ATOM 0 H GLY A 21 -0.272 7.770 5.540 1.00 0.00 H new ATOM 0 HA2 GLY A 21 1.638 7.748 4.297 1.00 0.00 H new ATOM 0 HA3 GLY A 21 2.232 9.173 5.125 1.00 0.00 H new ATOM 289 N SER A 22 2.166 6.894 7.274 1.00 0.00 N ATOM 290 CA SER A 22 2.942 6.053 8.178 1.00 0.00 C ATOM 291 C SER A 22 3.736 5.008 7.400 1.00 0.00 C ATOM 292 O SER A 22 4.765 4.519 7.867 1.00 0.00 O ATOM 293 CB SER A 22 2.020 5.364 9.186 1.00 0.00 C ATOM 294 OG SER A 22 2.715 4.367 9.913 1.00 0.00 O ATOM 0 H SER A 22 1.224 7.107 7.601 1.00 0.00 H new ATOM 0 HA SER A 22 3.643 6.691 8.716 1.00 0.00 H new ATOM 0 HB2 SER A 22 1.612 6.103 9.875 1.00 0.00 H new ATOM 0 HB3 SER A 22 1.175 4.915 8.663 1.00 0.00 H new ATOM 0 HG SER A 22 2.105 3.942 10.552 1.00 0.00 H new ATOM 300 N LEU A 23 3.249 4.669 6.211 1.00 0.00 N ATOM 301 CA LEU A 23 3.913 3.682 5.366 1.00 0.00 C ATOM 302 C LEU A 23 4.581 4.350 4.168 1.00 0.00 C ATOM 303 O LEU A 23 4.032 5.282 3.579 1.00 0.00 O ATOM 304 CB LEU A 23 2.906 2.635 4.884 1.00 0.00 C ATOM 305 CG LEU A 23 2.312 2.866 3.495 1.00 0.00 C ATOM 306 CD1 LEU A 23 1.706 1.579 2.954 1.00 0.00 C ATOM 307 CD2 LEU A 23 1.266 3.972 3.539 1.00 0.00 C ATOM 0 H LEU A 23 2.397 5.063 5.811 1.00 0.00 H new ATOM 0 HA LEU A 23 4.683 3.191 5.961 1.00 0.00 H new ATOM 0 HB2 LEU A 23 3.394 1.660 4.891 1.00 0.00 H new ATOM 0 HB3 LEU A 23 2.089 2.588 5.604 1.00 0.00 H new ATOM 0 HG LEU A 23 3.113 3.177 2.825 1.00 0.00 H new ATOM 0 HD11 LEU A 23 1.288 1.762 1.964 1.00 0.00 H new ATOM 0 HD12 LEU A 23 2.479 0.814 2.886 1.00 0.00 H new ATOM 0 HD13 LEU A 23 0.917 1.239 3.624 1.00 0.00 H new ATOM 0 HD21 LEU A 23 0.854 4.123 2.541 1.00 0.00 H new ATOM 0 HD22 LEU A 23 0.466 3.689 4.223 1.00 0.00 H new ATOM 0 HD23 LEU A 23 1.729 4.897 3.884 1.00 0.00 H new ATOM 319 N SER A 24 5.766 3.868 3.813 1.00 0.00 N ATOM 320 CA SER A 24 6.511 4.419 2.686 1.00 0.00 C ATOM 321 C SER A 24 5.684 4.356 1.406 1.00 0.00 C ATOM 322 O SER A 24 4.686 3.638 1.316 1.00 0.00 O ATOM 323 CB SER A 24 7.825 3.660 2.496 1.00 0.00 C ATOM 324 OG SER A 24 8.898 4.330 3.136 1.00 0.00 O ATOM 0 H SER A 24 6.233 3.096 4.289 1.00 0.00 H new ATOM 0 HA SER A 24 6.732 5.464 2.904 1.00 0.00 H new ATOM 0 HB2 SER A 24 7.728 2.652 2.900 1.00 0.00 H new ATOM 0 HB3 SER A 24 8.039 3.557 1.432 1.00 0.00 H new ATOM 0 HG SER A 24 9.726 3.824 3.001 1.00 0.00 H new ATOM 330 N PRO A 25 6.106 5.123 0.391 1.00 0.00 N ATOM 331 CA PRO A 25 5.419 5.172 -0.904 1.00 0.00 C ATOM 332 C PRO A 25 5.575 3.876 -1.691 1.00 0.00 C ATOM 333 O PRO A 25 4.685 3.487 -2.448 1.00 0.00 O ATOM 334 CB PRO A 25 6.116 6.326 -1.631 1.00 0.00 C ATOM 335 CG PRO A 25 7.467 6.405 -1.009 1.00 0.00 C ATOM 336 CD PRO A 25 7.286 6.002 0.429 1.00 0.00 C ATOM 0 HA PRO A 25 4.344 5.309 -0.791 1.00 0.00 H new ATOM 0 HB2 PRO A 25 6.184 6.136 -2.702 1.00 0.00 H new ATOM 0 HB3 PRO A 25 5.568 7.260 -1.507 1.00 0.00 H new ATOM 0 HG2 PRO A 25 8.169 5.742 -1.515 1.00 0.00 H new ATOM 0 HG3 PRO A 25 7.872 7.414 -1.083 1.00 0.00 H new ATOM 0 HD2 PRO A 25 8.163 5.481 0.814 1.00 0.00 H new ATOM 0 HD3 PRO A 25 7.122 6.867 1.071 1.00 0.00 H new ATOM 344 N LYS A 26 6.710 3.210 -1.508 1.00 0.00 N ATOM 345 CA LYS A 26 6.982 1.955 -2.199 1.00 0.00 C ATOM 346 C LYS A 26 6.146 0.820 -1.617 1.00 0.00 C ATOM 347 O LYS A 26 5.610 -0.009 -2.352 1.00 0.00 O ATOM 348 CB LYS A 26 8.469 1.608 -2.104 1.00 0.00 C ATOM 349 CG LYS A 26 8.909 0.541 -3.091 1.00 0.00 C ATOM 350 CD LYS A 26 9.499 1.153 -4.350 1.00 0.00 C ATOM 351 CE LYS A 26 10.719 0.380 -4.827 1.00 0.00 C ATOM 352 NZ LYS A 26 11.255 0.925 -6.106 1.00 0.00 N ATOM 0 H LYS A 26 7.457 3.519 -0.886 1.00 0.00 H new ATOM 0 HA LYS A 26 6.711 2.081 -3.247 1.00 0.00 H new ATOM 0 HB2 LYS A 26 9.056 2.511 -2.273 1.00 0.00 H new ATOM 0 HB3 LYS A 26 8.690 1.268 -1.092 1.00 0.00 H new ATOM 0 HG2 LYS A 26 9.648 -0.108 -2.621 1.00 0.00 H new ATOM 0 HG3 LYS A 26 8.057 -0.085 -3.355 1.00 0.00 H new ATOM 0 HD2 LYS A 26 8.745 1.166 -5.137 1.00 0.00 H new ATOM 0 HD3 LYS A 26 9.776 2.189 -4.157 1.00 0.00 H new ATOM 0 HE2 LYS A 26 11.495 0.418 -4.062 1.00 0.00 H new ATOM 0 HE3 LYS A 26 10.455 -0.669 -4.961 1.00 0.00 H new ATOM 0 HZ1 LYS A 26 12.086 0.372 -6.398 1.00 0.00 H new ATOM 0 HZ2 LYS A 26 10.523 0.866 -6.842 1.00 0.00 H new ATOM 0 HZ3 LYS A 26 11.531 1.919 -5.971 1.00 0.00 H new ATOM 366 N GLU A 27 6.038 0.791 -0.292 1.00 0.00 N ATOM 367 CA GLU A 27 5.265 -0.242 0.388 1.00 0.00 C ATOM 368 C GLU A 27 3.870 -0.367 -0.217 1.00 0.00 C ATOM 369 O GLU A 27 3.350 -1.470 -0.384 1.00 0.00 O ATOM 370 CB GLU A 27 5.159 0.070 1.883 1.00 0.00 C ATOM 371 CG GLU A 27 6.084 -0.771 2.747 1.00 0.00 C ATOM 372 CD GLU A 27 5.429 -2.051 3.227 1.00 0.00 C ATOM 373 OE1 GLU A 27 4.829 -2.760 2.393 1.00 0.00 O ATOM 374 OE2 GLU A 27 5.519 -2.345 4.438 1.00 0.00 O ATOM 0 H GLU A 27 6.475 1.470 0.331 1.00 0.00 H new ATOM 0 HA GLU A 27 5.784 -1.192 0.258 1.00 0.00 H new ATOM 0 HB2 GLU A 27 5.385 1.124 2.043 1.00 0.00 H new ATOM 0 HB3 GLU A 27 4.130 -0.088 2.207 1.00 0.00 H new ATOM 0 HG2 GLU A 27 6.981 -1.017 2.179 1.00 0.00 H new ATOM 0 HG3 GLU A 27 6.403 -0.185 3.609 1.00 0.00 H new ATOM 381 N ARG A 28 3.270 0.774 -0.545 1.00 0.00 N ATOM 382 CA ARG A 28 1.935 0.793 -1.130 1.00 0.00 C ATOM 383 C ARG A 28 1.889 -0.039 -2.408 1.00 0.00 C ATOM 384 O ARG A 28 1.112 -0.988 -2.517 1.00 0.00 O ATOM 385 CB ARG A 28 1.507 2.231 -1.430 1.00 0.00 C ATOM 386 CG ARG A 28 1.382 3.100 -0.189 1.00 0.00 C ATOM 387 CD ARG A 28 0.899 4.500 -0.536 1.00 0.00 C ATOM 388 NE ARG A 28 1.816 5.186 -1.442 1.00 0.00 N ATOM 389 CZ ARG A 28 1.609 6.414 -1.907 1.00 0.00 C ATOM 390 NH1 ARG A 28 0.524 7.086 -1.550 1.00 0.00 N ATOM 391 NH2 ARG A 28 2.490 6.971 -2.728 1.00 0.00 N ATOM 0 H ARG A 28 3.687 1.696 -0.415 1.00 0.00 H new ATOM 0 HA ARG A 28 1.244 0.358 -0.408 1.00 0.00 H new ATOM 0 HB2 ARG A 28 2.231 2.683 -2.108 1.00 0.00 H new ATOM 0 HB3 ARG A 28 0.549 2.215 -1.950 1.00 0.00 H new ATOM 0 HG2 ARG A 28 0.687 2.637 0.512 1.00 0.00 H new ATOM 0 HG3 ARG A 28 2.348 3.161 0.313 1.00 0.00 H new ATOM 0 HD2 ARG A 28 -0.087 4.440 -0.996 1.00 0.00 H new ATOM 0 HD3 ARG A 28 0.789 5.083 0.379 1.00 0.00 H new ATOM 0 HE ARG A 28 2.662 4.696 -1.734 1.00 0.00 H new ATOM 0 HH11 ARG A 28 -0.154 6.661 -0.917 1.00 0.00 H new ATOM 0 HH12 ARG A 28 0.367 8.028 -1.908 1.00 0.00 H new ATOM 0 HH21 ARG A 28 3.327 6.457 -3.003 1.00 0.00 H new ATOM 0 HH22 ARG A 28 2.330 7.913 -3.084 1.00 0.00 H new ATOM 405 N THR A 29 2.727 0.324 -3.375 1.00 0.00 N ATOM 406 CA THR A 29 2.781 -0.388 -4.646 1.00 0.00 C ATOM 407 C THR A 29 3.051 -1.873 -4.434 1.00 0.00 C ATOM 408 O THR A 29 2.672 -2.707 -5.256 1.00 0.00 O ATOM 409 CB THR A 29 3.870 0.193 -5.569 1.00 0.00 C ATOM 410 OG1 THR A 29 3.414 1.420 -6.151 1.00 0.00 O ATOM 411 CG2 THR A 29 4.230 -0.793 -6.669 1.00 0.00 C ATOM 0 H THR A 29 3.377 1.107 -3.302 1.00 0.00 H new ATOM 0 HA THR A 29 1.807 -0.263 -5.120 1.00 0.00 H new ATOM 0 HB THR A 29 4.760 0.384 -4.969 1.00 0.00 H new ATOM 0 HG1 THR A 29 4.112 1.784 -6.735 1.00 0.00 H new ATOM 0 HG21 THR A 29 5.000 -0.361 -7.307 1.00 0.00 H new ATOM 0 HG22 THR A 29 4.604 -1.715 -6.223 1.00 0.00 H new ATOM 0 HG23 THR A 29 3.345 -1.011 -7.266 1.00 0.00 H new ATOM 419 N LEU A 30 3.709 -2.198 -3.326 1.00 0.00 N ATOM 420 CA LEU A 30 4.029 -3.584 -3.005 1.00 0.00 C ATOM 421 C LEU A 30 2.805 -4.314 -2.463 1.00 0.00 C ATOM 422 O LEU A 30 2.704 -5.538 -2.561 1.00 0.00 O ATOM 423 CB LEU A 30 5.167 -3.642 -1.984 1.00 0.00 C ATOM 424 CG LEU A 30 6.500 -3.043 -2.429 1.00 0.00 C ATOM 425 CD1 LEU A 30 7.467 -2.962 -1.258 1.00 0.00 C ATOM 426 CD2 LEU A 30 7.100 -3.861 -3.563 1.00 0.00 C ATOM 0 H LEU A 30 4.031 -1.520 -2.635 1.00 0.00 H new ATOM 0 HA LEU A 30 4.347 -4.080 -3.922 1.00 0.00 H new ATOM 0 HB2 LEU A 30 4.844 -3.126 -1.080 1.00 0.00 H new ATOM 0 HB3 LEU A 30 5.333 -4.685 -1.714 1.00 0.00 H new ATOM 0 HG LEU A 30 6.318 -2.032 -2.793 1.00 0.00 H new ATOM 0 HD11 LEU A 30 8.411 -2.533 -1.595 1.00 0.00 H new ATOM 0 HD12 LEU A 30 7.040 -2.333 -0.477 1.00 0.00 H new ATOM 0 HD13 LEU A 30 7.644 -3.962 -0.862 1.00 0.00 H new ATOM 0 HD21 LEU A 30 8.049 -3.420 -3.867 1.00 0.00 H new ATOM 0 HD22 LEU A 30 7.267 -4.884 -3.225 1.00 0.00 H new ATOM 0 HD23 LEU A 30 6.414 -3.866 -4.410 1.00 0.00 H new ATOM 438 N LEU A 31 1.876 -3.556 -1.891 1.00 0.00 N ATOM 439 CA LEU A 31 0.655 -4.131 -1.334 1.00 0.00 C ATOM 440 C LEU A 31 -0.019 -5.056 -2.342 1.00 0.00 C ATOM 441 O LEU A 31 -0.520 -6.122 -1.985 1.00 0.00 O ATOM 442 CB LEU A 31 -0.310 -3.020 -0.918 1.00 0.00 C ATOM 443 CG LEU A 31 0.169 -2.101 0.207 1.00 0.00 C ATOM 444 CD1 LEU A 31 -0.750 -0.896 0.339 1.00 0.00 C ATOM 445 CD2 LEU A 31 0.246 -2.862 1.522 1.00 0.00 C ATOM 0 H LEU A 31 1.944 -2.542 -1.800 1.00 0.00 H new ATOM 0 HA LEU A 31 0.925 -4.717 -0.455 1.00 0.00 H new ATOM 0 HB2 LEU A 31 -0.526 -2.407 -1.793 1.00 0.00 H new ATOM 0 HB3 LEU A 31 -1.250 -3.479 -0.610 1.00 0.00 H new ATOM 0 HG LEU A 31 1.169 -1.745 -0.042 1.00 0.00 H new ATOM 0 HD11 LEU A 31 -0.394 -0.253 1.144 1.00 0.00 H new ATOM 0 HD12 LEU A 31 -0.754 -0.337 -0.597 1.00 0.00 H new ATOM 0 HD13 LEU A 31 -1.762 -1.233 0.564 1.00 0.00 H new ATOM 0 HD21 LEU A 31 0.589 -2.192 2.311 1.00 0.00 H new ATOM 0 HD22 LEU A 31 -0.741 -3.248 1.777 1.00 0.00 H new ATOM 0 HD23 LEU A 31 0.946 -3.692 1.422 1.00 0.00 H new ATOM 457 N LYS A 32 -0.028 -4.641 -3.605 1.00 0.00 N ATOM 458 CA LYS A 32 -0.638 -5.433 -4.666 1.00 0.00 C ATOM 459 C LYS A 32 0.070 -6.776 -4.819 1.00 0.00 C ATOM 460 O LYS A 32 -0.552 -7.780 -5.160 1.00 0.00 O ATOM 461 CB LYS A 32 -0.595 -4.668 -5.990 1.00 0.00 C ATOM 462 CG LYS A 32 -1.060 -3.226 -5.876 1.00 0.00 C ATOM 463 CD LYS A 32 -1.994 -2.849 -7.013 1.00 0.00 C ATOM 464 CE LYS A 32 -2.519 -1.431 -6.855 1.00 0.00 C ATOM 465 NZ LYS A 32 -2.293 -0.615 -8.080 1.00 0.00 N ATOM 0 H LYS A 32 0.381 -3.760 -3.918 1.00 0.00 H new ATOM 0 HA LYS A 32 -1.677 -5.619 -4.394 1.00 0.00 H new ATOM 0 HB2 LYS A 32 0.425 -4.683 -6.375 1.00 0.00 H new ATOM 0 HB3 LYS A 32 -1.219 -5.185 -6.719 1.00 0.00 H new ATOM 0 HG2 LYS A 32 -1.569 -3.081 -4.923 1.00 0.00 H new ATOM 0 HG3 LYS A 32 -0.195 -2.563 -5.879 1.00 0.00 H new ATOM 0 HD2 LYS A 32 -1.468 -2.940 -7.963 1.00 0.00 H new ATOM 0 HD3 LYS A 32 -2.831 -3.547 -7.045 1.00 0.00 H new ATOM 0 HE2 LYS A 32 -3.585 -1.462 -6.631 1.00 0.00 H new ATOM 0 HE3 LYS A 32 -2.028 -0.955 -6.006 1.00 0.00 H new ATOM 0 HZ1 LYS A 32 -2.665 0.345 -7.931 1.00 0.00 H new ATOM 0 HZ2 LYS A 32 -1.274 -0.564 -8.280 1.00 0.00 H new ATOM 0 HZ3 LYS A 32 -2.782 -1.055 -8.885 1.00 0.00 H new ATOM 479 N GLU A 33 1.375 -6.783 -4.562 1.00 0.00 N ATOM 480 CA GLU A 33 2.166 -8.004 -4.671 1.00 0.00 C ATOM 481 C GLU A 33 1.813 -8.982 -3.555 1.00 0.00 C ATOM 482 O GLU A 33 2.097 -10.177 -3.649 1.00 0.00 O ATOM 483 CB GLU A 33 3.659 -7.675 -4.623 1.00 0.00 C ATOM 484 CG GLU A 33 4.097 -6.673 -5.678 1.00 0.00 C ATOM 485 CD GLU A 33 5.585 -6.738 -5.964 1.00 0.00 C ATOM 486 OE1 GLU A 33 6.125 -7.861 -6.043 1.00 0.00 O ATOM 487 OE2 GLU A 33 6.210 -5.666 -6.106 1.00 0.00 O ATOM 0 H GLU A 33 1.905 -5.959 -4.278 1.00 0.00 H new ATOM 0 HA GLU A 33 1.935 -8.473 -5.627 1.00 0.00 H new ATOM 0 HB2 GLU A 33 3.904 -7.281 -3.637 1.00 0.00 H new ATOM 0 HB3 GLU A 33 4.229 -8.595 -4.749 1.00 0.00 H new ATOM 0 HG2 GLU A 33 3.545 -6.858 -6.600 1.00 0.00 H new ATOM 0 HG3 GLU A 33 3.838 -5.667 -5.348 1.00 0.00 H new ATOM 494 N ASP A 34 1.193 -8.468 -2.499 1.00 0.00 N ATOM 495 CA ASP A 34 0.801 -9.296 -1.365 1.00 0.00 C ATOM 496 C ASP A 34 -0.562 -9.937 -1.605 1.00 0.00 C ATOM 497 O ASP A 34 -1.467 -9.332 -2.181 1.00 0.00 O ATOM 498 CB ASP A 34 0.767 -8.460 -0.084 1.00 0.00 C ATOM 499 CG ASP A 34 1.416 -9.169 1.088 1.00 0.00 C ATOM 500 OD1 ASP A 34 2.654 -9.079 1.223 1.00 0.00 O ATOM 501 OD2 ASP A 34 0.686 -9.814 1.870 1.00 0.00 O ATOM 0 H ASP A 34 0.951 -7.482 -2.405 1.00 0.00 H new ATOM 0 HA ASP A 34 1.540 -10.089 -1.253 1.00 0.00 H new ATOM 0 HB2 ASP A 34 1.276 -7.512 -0.259 1.00 0.00 H new ATOM 0 HB3 ASP A 34 -0.268 -8.225 0.165 1.00 0.00 H new ATOM 506 N PRO A 35 -0.714 -11.191 -1.155 1.00 0.00 N ATOM 507 CA PRO A 35 -1.963 -11.942 -1.310 1.00 0.00 C ATOM 508 C PRO A 35 -3.084 -11.388 -0.438 1.00 0.00 C ATOM 509 O PRO A 35 -4.259 -11.463 -0.799 1.00 0.00 O ATOM 510 CB PRO A 35 -1.585 -13.356 -0.862 1.00 0.00 C ATOM 511 CG PRO A 35 -0.432 -13.165 0.061 1.00 0.00 C ATOM 512 CD PRO A 35 0.322 -11.973 -0.459 1.00 0.00 C ATOM 0 HA PRO A 35 -2.345 -11.892 -2.330 1.00 0.00 H new ATOM 0 HB2 PRO A 35 -2.418 -13.848 -0.359 1.00 0.00 H new ATOM 0 HB3 PRO A 35 -1.312 -13.981 -1.712 1.00 0.00 H new ATOM 0 HG2 PRO A 35 -0.774 -12.996 1.082 1.00 0.00 H new ATOM 0 HG3 PRO A 35 0.203 -14.051 0.080 1.00 0.00 H new ATOM 0 HD2 PRO A 35 0.780 -11.403 0.350 1.00 0.00 H new ATOM 0 HD3 PRO A 35 1.124 -12.269 -1.135 1.00 0.00 H new ATOM 520 N ALA A 36 -2.715 -10.833 0.712 1.00 0.00 N ATOM 521 CA ALA A 36 -3.690 -10.265 1.634 1.00 0.00 C ATOM 522 C ALA A 36 -4.450 -9.112 0.988 1.00 0.00 C ATOM 523 O ALA A 36 -5.569 -8.793 1.389 1.00 0.00 O ATOM 524 CB ALA A 36 -3.001 -9.797 2.907 1.00 0.00 C ATOM 0 H ALA A 36 -1.747 -10.765 1.027 1.00 0.00 H new ATOM 0 HA ALA A 36 -4.410 -11.043 1.888 1.00 0.00 H new ATOM 0 HB1 ALA A 36 -3.741 -9.375 3.587 1.00 0.00 H new ATOM 0 HB2 ALA A 36 -2.509 -10.643 3.386 1.00 0.00 H new ATOM 0 HB3 ALA A 36 -2.259 -9.037 2.661 1.00 0.00 H new ATOM 530 N TYR A 37 -3.835 -8.492 -0.013 1.00 0.00 N ATOM 531 CA TYR A 37 -4.454 -7.373 -0.713 1.00 0.00 C ATOM 532 C TYR A 37 -4.734 -7.728 -2.170 1.00 0.00 C ATOM 533 O TYR A 37 -4.352 -6.997 -3.083 1.00 0.00 O ATOM 534 CB TYR A 37 -3.553 -6.139 -0.642 1.00 0.00 C ATOM 535 CG TYR A 37 -3.139 -5.772 0.766 1.00 0.00 C ATOM 536 CD1 TYR A 37 -4.081 -5.375 1.707 1.00 0.00 C ATOM 537 CD2 TYR A 37 -1.806 -5.824 1.154 1.00 0.00 C ATOM 538 CE1 TYR A 37 -3.706 -5.039 2.994 1.00 0.00 C ATOM 539 CE2 TYR A 37 -1.422 -5.491 2.439 1.00 0.00 C ATOM 540 CZ TYR A 37 -2.376 -5.098 3.355 1.00 0.00 C ATOM 541 OH TYR A 37 -1.999 -4.765 4.636 1.00 0.00 O ATOM 0 H TYR A 37 -2.909 -8.745 -0.358 1.00 0.00 H new ATOM 0 HA TYR A 37 -5.402 -7.152 -0.223 1.00 0.00 H new ATOM 0 HB2 TYR A 37 -2.659 -6.317 -1.240 1.00 0.00 H new ATOM 0 HB3 TYR A 37 -4.073 -5.293 -1.091 1.00 0.00 H new ATOM 0 HD1 TYR A 37 -5.123 -5.328 1.428 1.00 0.00 H new ATOM 0 HD2 TYR A 37 -1.057 -6.130 0.439 1.00 0.00 H new ATOM 0 HE1 TYR A 37 -4.451 -4.732 3.714 1.00 0.00 H new ATOM 0 HE2 TYR A 37 -0.381 -5.538 2.725 1.00 0.00 H new ATOM 0 HH TYR A 37 -1.028 -4.861 4.727 1.00 0.00 H new ATOM 551 N TRP A 38 -5.403 -8.856 -2.378 1.00 0.00 N ATOM 552 CA TRP A 38 -5.736 -9.310 -3.724 1.00 0.00 C ATOM 553 C TRP A 38 -6.895 -8.504 -4.299 1.00 0.00 C ATOM 554 O TRP A 38 -6.963 -8.269 -5.505 1.00 0.00 O ATOM 555 CB TRP A 38 -6.089 -10.797 -3.710 1.00 0.00 C ATOM 556 CG TRP A 38 -7.280 -11.117 -2.859 1.00 0.00 C ATOM 557 CD1 TRP A 38 -7.274 -11.701 -1.625 1.00 0.00 C ATOM 558 CD2 TRP A 38 -8.654 -10.872 -3.181 1.00 0.00 C ATOM 559 NE1 TRP A 38 -8.560 -11.833 -1.160 1.00 0.00 N ATOM 560 CE2 TRP A 38 -9.426 -11.332 -2.095 1.00 0.00 C ATOM 561 CE3 TRP A 38 -9.307 -10.306 -4.280 1.00 0.00 C ATOM 562 CZ2 TRP A 38 -10.815 -11.244 -2.079 1.00 0.00 C ATOM 563 CZ3 TRP A 38 -10.687 -10.220 -4.262 1.00 0.00 C ATOM 564 CH2 TRP A 38 -11.428 -10.687 -3.168 1.00 0.00 C ATOM 0 H TRP A 38 -5.726 -9.473 -1.633 1.00 0.00 H new ATOM 0 HA TRP A 38 -4.863 -9.158 -4.358 1.00 0.00 H new ATOM 0 HB2 TRP A 38 -6.282 -11.127 -4.731 1.00 0.00 H new ATOM 0 HB3 TRP A 38 -5.231 -11.363 -3.349 1.00 0.00 H new ATOM 0 HD1 TRP A 38 -6.388 -12.013 -1.092 1.00 0.00 H new ATOM 0 HE1 TRP A 38 -8.827 -12.239 -0.263 1.00 0.00 H new ATOM 0 HE3 TRP A 38 -8.744 -9.943 -5.127 1.00 0.00 H new ATOM 0 HZ2 TRP A 38 -11.388 -11.603 -1.237 1.00 0.00 H new ATOM 0 HZ3 TRP A 38 -11.203 -9.785 -5.106 1.00 0.00 H new ATOM 0 HH2 TRP A 38 -12.505 -10.606 -3.185 1.00 0.00 H new ATOM 575 N PHE A 39 -7.808 -8.084 -3.429 1.00 0.00 N ATOM 576 CA PHE A 39 -8.966 -7.306 -3.851 1.00 0.00 C ATOM 577 C PHE A 39 -8.533 -6.049 -4.600 1.00 0.00 C ATOM 578 O PHE A 39 -9.208 -5.602 -5.529 1.00 0.00 O ATOM 579 CB PHE A 39 -9.819 -6.922 -2.640 1.00 0.00 C ATOM 580 CG PHE A 39 -9.059 -6.171 -1.585 1.00 0.00 C ATOM 581 CD1 PHE A 39 -8.844 -4.808 -1.708 1.00 0.00 C ATOM 582 CD2 PHE A 39 -8.559 -6.827 -0.471 1.00 0.00 C ATOM 583 CE1 PHE A 39 -8.145 -4.112 -0.738 1.00 0.00 C ATOM 584 CE2 PHE A 39 -7.860 -6.137 0.500 1.00 0.00 C ATOM 585 CZ PHE A 39 -7.651 -4.778 0.367 1.00 0.00 C ATOM 0 H PHE A 39 -7.768 -8.270 -2.427 1.00 0.00 H new ATOM 0 HA PHE A 39 -9.560 -7.923 -4.524 1.00 0.00 H new ATOM 0 HB2 PHE A 39 -10.658 -6.312 -2.975 1.00 0.00 H new ATOM 0 HB3 PHE A 39 -10.238 -7.827 -2.200 1.00 0.00 H new ATOM 0 HD1 PHE A 39 -9.226 -4.283 -2.571 1.00 0.00 H new ATOM 0 HD2 PHE A 39 -8.718 -7.890 -0.361 1.00 0.00 H new ATOM 0 HE1 PHE A 39 -7.986 -3.049 -0.844 1.00 0.00 H new ATOM 0 HE2 PHE A 39 -7.477 -6.660 1.364 1.00 0.00 H new ATOM 0 HZ PHE A 39 -7.103 -4.238 1.125 1.00 0.00 H new ATOM 595 N LEU A 40 -7.404 -5.482 -4.189 1.00 0.00 N ATOM 596 CA LEU A 40 -6.879 -4.276 -4.820 1.00 0.00 C ATOM 597 C LEU A 40 -7.131 -4.295 -6.324 1.00 0.00 C ATOM 598 O LEU A 40 -7.546 -3.293 -6.907 1.00 0.00 O ATOM 599 CB LEU A 40 -5.380 -4.143 -4.543 1.00 0.00 C ATOM 600 CG LEU A 40 -4.991 -3.812 -3.103 1.00 0.00 C ATOM 601 CD1 LEU A 40 -3.479 -3.851 -2.936 1.00 0.00 C ATOM 602 CD2 LEU A 40 -5.538 -2.450 -2.701 1.00 0.00 C ATOM 0 H LEU A 40 -6.834 -5.838 -3.421 1.00 0.00 H new ATOM 0 HA LEU A 40 -7.398 -3.417 -4.395 1.00 0.00 H new ATOM 0 HB2 LEU A 40 -4.895 -5.078 -4.824 1.00 0.00 H new ATOM 0 HB3 LEU A 40 -4.978 -3.367 -5.194 1.00 0.00 H new ATOM 0 HG LEU A 40 -5.429 -4.565 -2.447 1.00 0.00 H new ATOM 0 HD11 LEU A 40 -3.221 -3.613 -1.904 1.00 0.00 H new ATOM 0 HD12 LEU A 40 -3.111 -4.847 -3.181 1.00 0.00 H new ATOM 0 HD13 LEU A 40 -3.020 -3.121 -3.603 1.00 0.00 H new ATOM 0 HD21 LEU A 40 -5.251 -2.232 -1.672 1.00 0.00 H new ATOM 0 HD22 LEU A 40 -5.131 -1.685 -3.362 1.00 0.00 H new ATOM 0 HD23 LEU A 40 -6.625 -2.457 -2.781 1.00 0.00 H new ATOM 614 N SER A 41 -6.878 -5.442 -6.947 1.00 0.00 N ATOM 615 CA SER A 41 -7.077 -5.590 -8.384 1.00 0.00 C ATOM 616 C SER A 41 -8.562 -5.656 -8.724 1.00 0.00 C ATOM 617 O SER A 41 -9.006 -5.097 -9.727 1.00 0.00 O ATOM 618 CB SER A 41 -6.371 -6.851 -8.889 1.00 0.00 C ATOM 619 OG SER A 41 -5.071 -6.550 -9.367 1.00 0.00 O ATOM 0 H SER A 41 -6.535 -6.281 -6.480 1.00 0.00 H new ATOM 0 HA SER A 41 -6.648 -4.718 -8.877 1.00 0.00 H new ATOM 0 HB2 SER A 41 -6.306 -7.582 -8.083 1.00 0.00 H new ATOM 0 HB3 SER A 41 -6.959 -7.306 -9.686 1.00 0.00 H new ATOM 0 HG SER A 41 -4.640 -7.372 -9.682 1.00 0.00 H new ATOM 625 N ASP A 42 -9.327 -6.341 -7.881 1.00 0.00 N ATOM 626 CA ASP A 42 -10.763 -6.478 -8.090 1.00 0.00 C ATOM 627 C ASP A 42 -11.490 -5.184 -7.740 1.00 0.00 C ATOM 628 O ASP A 42 -11.000 -4.381 -6.947 1.00 0.00 O ATOM 629 CB ASP A 42 -11.314 -7.631 -7.247 1.00 0.00 C ATOM 630 CG ASP A 42 -12.533 -8.276 -7.877 1.00 0.00 C ATOM 631 OD1 ASP A 42 -13.643 -7.721 -7.726 1.00 0.00 O ATOM 632 OD2 ASP A 42 -12.379 -9.334 -8.521 1.00 0.00 O ATOM 0 H ASP A 42 -8.976 -6.810 -7.046 1.00 0.00 H new ATOM 0 HA ASP A 42 -10.933 -6.694 -9.145 1.00 0.00 H new ATOM 0 HB2 ASP A 42 -10.537 -8.383 -7.113 1.00 0.00 H new ATOM 0 HB3 ASP A 42 -11.574 -7.261 -6.255 1.00 0.00 H new ATOM 637 N GLU A 43 -12.660 -4.987 -8.340 1.00 0.00 N ATOM 638 CA GLU A 43 -13.452 -3.789 -8.092 1.00 0.00 C ATOM 639 C GLU A 43 -14.866 -4.153 -7.649 1.00 0.00 C ATOM 640 O GLU A 43 -15.491 -3.428 -6.875 1.00 0.00 O ATOM 641 CB GLU A 43 -13.509 -2.919 -9.351 1.00 0.00 C ATOM 642 CG GLU A 43 -12.282 -2.043 -9.541 1.00 0.00 C ATOM 643 CD GLU A 43 -12.565 -0.819 -10.390 1.00 0.00 C ATOM 644 OE1 GLU A 43 -13.490 -0.877 -11.226 1.00 0.00 O ATOM 645 OE2 GLU A 43 -11.861 0.198 -10.216 1.00 0.00 O ATOM 0 H GLU A 43 -13.080 -5.641 -9.001 1.00 0.00 H new ATOM 0 HA GLU A 43 -12.972 -3.227 -7.291 1.00 0.00 H new ATOM 0 HB2 GLU A 43 -13.624 -3.563 -10.223 1.00 0.00 H new ATOM 0 HB3 GLU A 43 -14.394 -2.285 -9.305 1.00 0.00 H new ATOM 0 HG2 GLU A 43 -11.912 -1.726 -8.566 1.00 0.00 H new ATOM 0 HG3 GLU A 43 -11.490 -2.629 -10.008 1.00 0.00 H new ATOM 652 N ASN A 44 -15.364 -5.280 -8.146 1.00 0.00 N ATOM 653 CA ASN A 44 -16.705 -5.741 -7.803 1.00 0.00 C ATOM 654 C ASN A 44 -16.674 -6.624 -6.559 1.00 0.00 C ATOM 655 O ASN A 44 -17.296 -7.685 -6.523 1.00 0.00 O ATOM 656 CB ASN A 44 -17.318 -6.510 -8.974 1.00 0.00 C ATOM 657 CG ASN A 44 -18.743 -6.080 -9.266 1.00 0.00 C ATOM 658 OD1 ASN A 44 -19.644 -6.285 -8.452 1.00 0.00 O ATOM 659 ND2 ASN A 44 -18.951 -5.481 -10.432 1.00 0.00 N ATOM 0 H ASN A 44 -14.859 -5.891 -8.788 1.00 0.00 H new ATOM 0 HA ASN A 44 -17.320 -4.867 -7.591 1.00 0.00 H new ATOM 0 HB2 ASN A 44 -16.707 -6.360 -9.864 1.00 0.00 H new ATOM 0 HB3 ASN A 44 -17.302 -7.577 -8.753 1.00 0.00 H new ATOM 0 HD21 ASN A 44 -19.889 -5.169 -10.685 1.00 0.00 H new ATOM 0 HD22 ASN A 44 -18.173 -5.333 -11.075 1.00 0.00 H new ATOM 666 N SER A 45 -15.946 -6.178 -5.540 1.00 0.00 N ATOM 667 CA SER A 45 -15.831 -6.928 -4.296 1.00 0.00 C ATOM 668 C SER A 45 -16.116 -6.034 -3.093 1.00 0.00 C ATOM 669 O SER A 45 -16.481 -4.867 -3.245 1.00 0.00 O ATOM 670 CB SER A 45 -14.434 -7.540 -4.171 1.00 0.00 C ATOM 671 OG SER A 45 -13.431 -6.549 -4.304 1.00 0.00 O ATOM 0 H SER A 45 -15.427 -5.300 -5.552 1.00 0.00 H new ATOM 0 HA SER A 45 -16.570 -7.729 -4.315 1.00 0.00 H new ATOM 0 HB2 SER A 45 -14.335 -8.035 -3.205 1.00 0.00 H new ATOM 0 HB3 SER A 45 -14.298 -8.304 -4.936 1.00 0.00 H new ATOM 0 HG SER A 45 -12.547 -6.964 -4.219 1.00 0.00 H new ATOM 677 N LEU A 46 -15.948 -6.588 -1.898 1.00 0.00 N ATOM 678 CA LEU A 46 -16.187 -5.843 -0.667 1.00 0.00 C ATOM 679 C LEU A 46 -14.881 -5.292 -0.102 1.00 0.00 C ATOM 680 O LEU A 46 -14.812 -4.135 0.312 1.00 0.00 O ATOM 681 CB LEU A 46 -16.868 -6.736 0.370 1.00 0.00 C ATOM 682 CG LEU A 46 -16.543 -6.433 1.834 1.00 0.00 C ATOM 683 CD1 LEU A 46 -15.202 -7.038 2.219 1.00 0.00 C ATOM 684 CD2 LEU A 46 -16.545 -4.932 2.080 1.00 0.00 C ATOM 0 H LEU A 46 -15.647 -7.552 -1.755 1.00 0.00 H new ATOM 0 HA LEU A 46 -16.843 -5.005 -0.901 1.00 0.00 H new ATOM 0 HB2 LEU A 46 -17.947 -6.658 0.235 1.00 0.00 H new ATOM 0 HB3 LEU A 46 -16.595 -7.771 0.165 1.00 0.00 H new ATOM 0 HG LEU A 46 -17.314 -6.884 2.459 1.00 0.00 H new ATOM 0 HD11 LEU A 46 -14.987 -6.812 3.264 1.00 0.00 H new ATOM 0 HD12 LEU A 46 -15.237 -8.119 2.081 1.00 0.00 H new ATOM 0 HD13 LEU A 46 -14.419 -6.617 1.589 1.00 0.00 H new ATOM 0 HD21 LEU A 46 -16.312 -4.734 3.126 1.00 0.00 H new ATOM 0 HD22 LEU A 46 -15.796 -4.458 1.446 1.00 0.00 H new ATOM 0 HD23 LEU A 46 -17.529 -4.526 1.844 1.00 0.00 H new ATOM 696 N GLU A 47 -13.847 -6.128 -0.091 1.00 0.00 N ATOM 697 CA GLU A 47 -12.544 -5.723 0.421 1.00 0.00 C ATOM 698 C GLU A 47 -12.000 -4.529 -0.358 1.00 0.00 C ATOM 699 O GLU A 47 -11.303 -3.679 0.195 1.00 0.00 O ATOM 700 CB GLU A 47 -11.557 -6.890 0.343 1.00 0.00 C ATOM 701 CG GLU A 47 -12.054 -8.154 1.022 1.00 0.00 C ATOM 702 CD GLU A 47 -12.759 -9.093 0.063 1.00 0.00 C ATOM 703 OE1 GLU A 47 -12.565 -8.946 -1.162 1.00 0.00 O ATOM 704 OE2 GLU A 47 -13.504 -9.976 0.538 1.00 0.00 O ATOM 0 H GLU A 47 -13.887 -7.089 -0.431 1.00 0.00 H new ATOM 0 HA GLU A 47 -12.667 -5.428 1.463 1.00 0.00 H new ATOM 0 HB2 GLU A 47 -11.348 -7.108 -0.704 1.00 0.00 H new ATOM 0 HB3 GLU A 47 -10.614 -6.589 0.800 1.00 0.00 H new ATOM 0 HG2 GLU A 47 -11.211 -8.673 1.478 1.00 0.00 H new ATOM 0 HG3 GLU A 47 -12.736 -7.885 1.828 1.00 0.00 H new ATOM 711 N TYR A 48 -12.322 -4.474 -1.645 1.00 0.00 N ATOM 712 CA TYR A 48 -11.864 -3.386 -2.501 1.00 0.00 C ATOM 713 C TYR A 48 -12.717 -2.138 -2.300 1.00 0.00 C ATOM 714 O TYR A 48 -12.286 -1.021 -2.590 1.00 0.00 O ATOM 715 CB TYR A 48 -11.904 -3.814 -3.970 1.00 0.00 C ATOM 716 CG TYR A 48 -11.532 -2.708 -4.932 1.00 0.00 C ATOM 717 CD1 TYR A 48 -12.493 -1.830 -5.417 1.00 0.00 C ATOM 718 CD2 TYR A 48 -10.220 -2.544 -5.358 1.00 0.00 C ATOM 719 CE1 TYR A 48 -12.158 -0.819 -6.297 1.00 0.00 C ATOM 720 CE2 TYR A 48 -9.875 -1.535 -6.237 1.00 0.00 C ATOM 721 CZ TYR A 48 -10.848 -0.676 -6.703 1.00 0.00 C ATOM 722 OH TYR A 48 -10.510 0.331 -7.579 1.00 0.00 O ATOM 0 H TYR A 48 -12.898 -5.170 -2.119 1.00 0.00 H new ATOM 0 HA TYR A 48 -10.836 -3.149 -2.226 1.00 0.00 H new ATOM 0 HB2 TYR A 48 -11.224 -4.654 -4.114 1.00 0.00 H new ATOM 0 HB3 TYR A 48 -12.906 -4.171 -4.209 1.00 0.00 H new ATOM 0 HD1 TYR A 48 -13.520 -1.940 -5.101 1.00 0.00 H new ATOM 0 HD2 TYR A 48 -9.456 -3.217 -4.996 1.00 0.00 H new ATOM 0 HE1 TYR A 48 -12.917 -0.145 -6.665 1.00 0.00 H new ATOM 0 HE2 TYR A 48 -8.850 -1.420 -6.557 1.00 0.00 H new ATOM 0 HH TYR A 48 -11.010 0.220 -8.414 1.00 0.00 H new ATOM 732 N LYS A 49 -13.933 -2.334 -1.801 1.00 0.00 N ATOM 733 CA LYS A 49 -14.850 -1.226 -1.558 1.00 0.00 C ATOM 734 C LYS A 49 -14.333 -0.329 -0.437 1.00 0.00 C ATOM 735 O LYS A 49 -14.542 0.884 -0.455 1.00 0.00 O ATOM 736 CB LYS A 49 -16.240 -1.756 -1.201 1.00 0.00 C ATOM 737 CG LYS A 49 -17.280 -1.510 -2.281 1.00 0.00 C ATOM 738 CD LYS A 49 -18.254 -2.670 -2.393 1.00 0.00 C ATOM 739 CE LYS A 49 -18.501 -3.052 -3.845 1.00 0.00 C ATOM 740 NZ LYS A 49 -19.404 -2.084 -4.526 1.00 0.00 N ATOM 0 H LYS A 49 -14.307 -3.251 -1.557 1.00 0.00 H new ATOM 0 HA LYS A 49 -14.917 -0.635 -2.472 1.00 0.00 H new ATOM 0 HB2 LYS A 49 -16.173 -2.827 -1.010 1.00 0.00 H new ATOM 0 HB3 LYS A 49 -16.572 -1.287 -0.275 1.00 0.00 H new ATOM 0 HG2 LYS A 49 -17.828 -0.594 -2.058 1.00 0.00 H new ATOM 0 HG3 LYS A 49 -16.782 -1.358 -3.239 1.00 0.00 H new ATOM 0 HD2 LYS A 49 -17.861 -3.530 -1.851 1.00 0.00 H new ATOM 0 HD3 LYS A 49 -19.199 -2.400 -1.921 1.00 0.00 H new ATOM 0 HE2 LYS A 49 -17.550 -3.097 -4.376 1.00 0.00 H new ATOM 0 HE3 LYS A 49 -18.938 -4.050 -3.889 1.00 0.00 H new ATOM 0 HZ1 LYS A 49 -19.548 -2.379 -5.513 1.00 0.00 H new ATOM 0 HZ2 LYS A 49 -20.320 -2.059 -4.035 1.00 0.00 H new ATOM 0 HZ3 LYS A 49 -18.975 -1.137 -4.507 1.00 0.00 H new ATOM 754 N TYR A 50 -13.657 -0.933 0.533 1.00 0.00 N ATOM 755 CA TYR A 50 -13.111 -0.188 1.662 1.00 0.00 C ATOM 756 C TYR A 50 -11.881 0.611 1.244 1.00 0.00 C ATOM 757 O TYR A 50 -11.823 1.827 1.432 1.00 0.00 O ATOM 758 CB TYR A 50 -12.751 -1.142 2.802 1.00 0.00 C ATOM 759 CG TYR A 50 -13.948 -1.626 3.589 1.00 0.00 C ATOM 760 CD1 TYR A 50 -15.124 -1.994 2.945 1.00 0.00 C ATOM 761 CD2 TYR A 50 -13.905 -1.715 4.975 1.00 0.00 C ATOM 762 CE1 TYR A 50 -16.220 -2.437 3.660 1.00 0.00 C ATOM 763 CE2 TYR A 50 -14.996 -2.157 5.696 1.00 0.00 C ATOM 764 CZ TYR A 50 -16.152 -2.517 5.035 1.00 0.00 C ATOM 765 OH TYR A 50 -17.242 -2.957 5.750 1.00 0.00 O ATOM 0 H TYR A 50 -13.474 -1.936 0.561 1.00 0.00 H new ATOM 0 HA TYR A 50 -13.874 0.510 2.008 1.00 0.00 H new ATOM 0 HB2 TYR A 50 -12.225 -2.004 2.391 1.00 0.00 H new ATOM 0 HB3 TYR A 50 -12.060 -0.640 3.480 1.00 0.00 H new ATOM 0 HD1 TYR A 50 -15.182 -1.933 1.868 1.00 0.00 H new ATOM 0 HD2 TYR A 50 -13.002 -1.434 5.497 1.00 0.00 H new ATOM 0 HE1 TYR A 50 -17.126 -2.719 3.144 1.00 0.00 H new ATOM 0 HE2 TYR A 50 -14.945 -2.221 6.773 1.00 0.00 H new ATOM 0 HH TYR A 50 -17.028 -2.955 6.706 1.00 0.00 H new ATOM 775 N TYR A 51 -10.900 -0.081 0.676 1.00 0.00 N ATOM 776 CA TYR A 51 -9.669 0.563 0.232 1.00 0.00 C ATOM 777 C TYR A 51 -9.973 1.830 -0.562 1.00 0.00 C ATOM 778 O TYR A 51 -9.239 2.816 -0.486 1.00 0.00 O ATOM 779 CB TYR A 51 -8.844 -0.401 -0.621 1.00 0.00 C ATOM 780 CG TYR A 51 -7.588 0.218 -1.191 1.00 0.00 C ATOM 781 CD1 TYR A 51 -6.490 0.482 -0.382 1.00 0.00 C ATOM 782 CD2 TYR A 51 -7.498 0.538 -2.541 1.00 0.00 C ATOM 783 CE1 TYR A 51 -5.341 1.048 -0.899 1.00 0.00 C ATOM 784 CE2 TYR A 51 -6.352 1.103 -3.067 1.00 0.00 C ATOM 785 CZ TYR A 51 -5.277 1.356 -2.241 1.00 0.00 C ATOM 786 OH TYR A 51 -4.134 1.919 -2.760 1.00 0.00 O ATOM 0 H TYR A 51 -10.933 -1.087 0.512 1.00 0.00 H new ATOM 0 HA TYR A 51 -9.094 0.839 1.116 1.00 0.00 H new ATOM 0 HB2 TYR A 51 -8.571 -1.265 -0.016 1.00 0.00 H new ATOM 0 HB3 TYR A 51 -9.462 -0.768 -1.440 1.00 0.00 H new ATOM 0 HD1 TYR A 51 -6.536 0.240 0.670 1.00 0.00 H new ATOM 0 HD2 TYR A 51 -8.339 0.342 -3.190 1.00 0.00 H new ATOM 0 HE1 TYR A 51 -4.497 1.248 -0.255 1.00 0.00 H new ATOM 0 HE2 TYR A 51 -6.298 1.345 -4.118 1.00 0.00 H new ATOM 0 HH TYR A 51 -4.252 2.073 -3.721 1.00 0.00 H new ATOM 796 N LYS A 52 -11.060 1.796 -1.324 1.00 0.00 N ATOM 797 CA LYS A 52 -11.465 2.941 -2.133 1.00 0.00 C ATOM 798 C LYS A 52 -12.389 3.863 -1.345 1.00 0.00 C ATOM 799 O LYS A 52 -12.409 5.075 -1.566 1.00 0.00 O ATOM 800 CB LYS A 52 -12.166 2.468 -3.409 1.00 0.00 C ATOM 801 CG LYS A 52 -11.210 1.958 -4.473 1.00 0.00 C ATOM 802 CD LYS A 52 -10.415 3.092 -5.099 1.00 0.00 C ATOM 803 CE LYS A 52 -11.218 3.806 -6.176 1.00 0.00 C ATOM 804 NZ LYS A 52 -11.606 5.181 -5.757 1.00 0.00 N ATOM 0 H LYS A 52 -11.678 0.988 -1.399 1.00 0.00 H new ATOM 0 HA LYS A 52 -10.568 3.498 -2.404 1.00 0.00 H new ATOM 0 HB2 LYS A 52 -12.870 1.676 -3.155 1.00 0.00 H new ATOM 0 HB3 LYS A 52 -12.749 3.292 -3.821 1.00 0.00 H new ATOM 0 HG2 LYS A 52 -10.526 1.233 -4.031 1.00 0.00 H new ATOM 0 HG3 LYS A 52 -11.771 1.435 -5.247 1.00 0.00 H new ATOM 0 HD2 LYS A 52 -10.125 3.805 -4.327 1.00 0.00 H new ATOM 0 HD3 LYS A 52 -9.495 2.698 -5.530 1.00 0.00 H new ATOM 0 HE2 LYS A 52 -10.631 3.858 -7.093 1.00 0.00 H new ATOM 0 HE3 LYS A 52 -12.114 3.229 -6.404 1.00 0.00 H new ATOM 0 HZ1 LYS A 52 -12.152 5.635 -6.517 1.00 0.00 H new ATOM 0 HZ2 LYS A 52 -12.188 5.131 -4.896 1.00 0.00 H new ATOM 0 HZ3 LYS A 52 -10.750 5.740 -5.564 1.00 0.00 H new ATOM 818 N LEU A 53 -13.151 3.285 -0.423 1.00 0.00 N ATOM 819 CA LEU A 53 -14.076 4.056 0.399 1.00 0.00 C ATOM 820 C LEU A 53 -13.347 4.719 1.564 1.00 0.00 C ATOM 821 O LEU A 53 -13.204 5.941 1.606 1.00 0.00 O ATOM 822 CB LEU A 53 -15.192 3.153 0.929 1.00 0.00 C ATOM 823 CG LEU A 53 -16.027 3.721 2.078 1.00 0.00 C ATOM 824 CD1 LEU A 53 -15.487 3.244 3.417 1.00 0.00 C ATOM 825 CD2 LEU A 53 -16.047 5.242 2.020 1.00 0.00 C ATOM 0 H LEU A 53 -13.146 2.284 -0.226 1.00 0.00 H new ATOM 0 HA LEU A 53 -14.513 4.837 -0.224 1.00 0.00 H new ATOM 0 HB2 LEU A 53 -15.862 2.914 0.103 1.00 0.00 H new ATOM 0 HB3 LEU A 53 -14.747 2.215 1.259 1.00 0.00 H new ATOM 0 HG LEU A 53 -17.050 3.359 1.973 1.00 0.00 H new ATOM 0 HD11 LEU A 53 -16.094 3.658 4.222 1.00 0.00 H new ATOM 0 HD12 LEU A 53 -15.524 2.155 3.457 1.00 0.00 H new ATOM 0 HD13 LEU A 53 -14.455 3.576 3.532 1.00 0.00 H new ATOM 0 HD21 LEU A 53 -16.645 5.630 2.844 1.00 0.00 H new ATOM 0 HD22 LEU A 53 -15.029 5.623 2.100 1.00 0.00 H new ATOM 0 HD23 LEU A 53 -16.481 5.564 1.074 1.00 0.00 H new ATOM 837 N LYS A 54 -12.886 3.905 2.507 1.00 0.00 N ATOM 838 CA LYS A 54 -12.168 4.411 3.670 1.00 0.00 C ATOM 839 C LYS A 54 -11.108 5.426 3.256 1.00 0.00 C ATOM 840 O LYS A 54 -10.861 6.405 3.964 1.00 0.00 O ATOM 841 CB LYS A 54 -11.513 3.256 4.433 1.00 0.00 C ATOM 842 CG LYS A 54 -11.396 3.504 5.927 1.00 0.00 C ATOM 843 CD LYS A 54 -12.723 3.282 6.634 1.00 0.00 C ATOM 844 CE LYS A 54 -12.744 3.951 8.000 1.00 0.00 C ATOM 845 NZ LYS A 54 -13.842 3.426 8.859 1.00 0.00 N ATOM 0 H LYS A 54 -12.997 2.891 2.488 1.00 0.00 H new ATOM 0 HA LYS A 54 -12.887 4.908 4.322 1.00 0.00 H new ATOM 0 HB2 LYS A 54 -12.092 2.348 4.268 1.00 0.00 H new ATOM 0 HB3 LYS A 54 -10.519 3.079 4.023 1.00 0.00 H new ATOM 0 HG2 LYS A 54 -10.642 2.840 6.349 1.00 0.00 H new ATOM 0 HG3 LYS A 54 -11.056 4.525 6.102 1.00 0.00 H new ATOM 0 HD2 LYS A 54 -13.534 3.677 6.022 1.00 0.00 H new ATOM 0 HD3 LYS A 54 -12.902 2.213 6.748 1.00 0.00 H new ATOM 0 HE2 LYS A 54 -11.787 3.792 8.497 1.00 0.00 H new ATOM 0 HE3 LYS A 54 -12.864 5.027 7.875 1.00 0.00 H new ATOM 0 HZ1 LYS A 54 -13.865 3.954 9.755 1.00 0.00 H new ATOM 0 HZ2 LYS A 54 -14.752 3.539 8.367 1.00 0.00 H new ATOM 0 HZ3 LYS A 54 -13.677 2.418 9.055 1.00 0.00 H new ATOM 859 N LEU A 55 -10.485 5.189 2.108 1.00 0.00 N ATOM 860 CA LEU A 55 -9.453 6.085 1.598 1.00 0.00 C ATOM 861 C LEU A 55 -10.049 7.427 1.188 1.00 0.00 C ATOM 862 O LEU A 55 -9.503 8.484 1.506 1.00 0.00 O ATOM 863 CB LEU A 55 -8.738 5.446 0.405 1.00 0.00 C ATOM 864 CG LEU A 55 -7.528 6.206 -0.138 1.00 0.00 C ATOM 865 CD1 LEU A 55 -6.411 6.238 0.893 1.00 0.00 C ATOM 866 CD2 LEU A 55 -7.042 5.576 -1.435 1.00 0.00 C ATOM 0 H LEU A 55 -10.676 4.384 1.512 1.00 0.00 H new ATOM 0 HA LEU A 55 -8.732 6.258 2.397 1.00 0.00 H new ATOM 0 HB2 LEU A 55 -8.414 4.446 0.694 1.00 0.00 H new ATOM 0 HB3 LEU A 55 -9.459 5.326 -0.403 1.00 0.00 H new ATOM 0 HG LEU A 55 -7.831 7.232 -0.347 1.00 0.00 H new ATOM 0 HD11 LEU A 55 -5.558 6.783 0.489 1.00 0.00 H new ATOM 0 HD12 LEU A 55 -6.764 6.735 1.797 1.00 0.00 H new ATOM 0 HD13 LEU A 55 -6.109 5.219 1.134 1.00 0.00 H new ATOM 0 HD21 LEU A 55 -6.180 6.130 -1.808 1.00 0.00 H new ATOM 0 HD22 LEU A 55 -6.756 4.540 -1.252 1.00 0.00 H new ATOM 0 HD23 LEU A 55 -7.841 5.606 -2.176 1.00 0.00 H new ATOM 878 N ALA A 56 -11.174 7.379 0.483 1.00 0.00 N ATOM 879 CA ALA A 56 -11.848 8.590 0.033 1.00 0.00 C ATOM 880 C ALA A 56 -12.247 9.467 1.216 1.00 0.00 C ATOM 881 O ALA A 56 -11.994 10.670 1.221 1.00 0.00 O ATOM 882 CB ALA A 56 -13.070 8.236 -0.801 1.00 0.00 C ATOM 0 H ALA A 56 -11.639 6.513 0.211 1.00 0.00 H new ATOM 0 HA ALA A 56 -11.152 9.155 -0.587 1.00 0.00 H new ATOM 0 HB1 ALA A 56 -13.563 9.151 -1.130 1.00 0.00 H new ATOM 0 HB2 ALA A 56 -12.761 7.657 -1.671 1.00 0.00 H new ATOM 0 HB3 ALA A 56 -13.762 7.646 -0.200 1.00 0.00 H new ATOM 888 N GLU A 57 -12.874 8.854 2.215 1.00 0.00 N ATOM 889 CA GLU A 57 -13.310 9.581 3.402 1.00 0.00 C ATOM 890 C GLU A 57 -12.112 10.061 4.216 1.00 0.00 C ATOM 891 O GLU A 57 -12.080 11.200 4.680 1.00 0.00 O ATOM 892 CB GLU A 57 -14.207 8.694 4.269 1.00 0.00 C ATOM 893 CG GLU A 57 -13.533 7.415 4.734 1.00 0.00 C ATOM 894 CD GLU A 57 -14.429 6.573 5.620 1.00 0.00 C ATOM 895 OE1 GLU A 57 -15.385 5.966 5.092 1.00 0.00 O ATOM 896 OE2 GLU A 57 -14.175 6.520 6.842 1.00 0.00 O ATOM 0 H GLU A 57 -13.091 7.857 2.226 1.00 0.00 H new ATOM 0 HA GLU A 57 -13.878 10.452 3.076 1.00 0.00 H new ATOM 0 HB2 GLU A 57 -14.531 9.262 5.141 1.00 0.00 H new ATOM 0 HB3 GLU A 57 -15.104 8.438 3.705 1.00 0.00 H new ATOM 0 HG2 GLU A 57 -13.234 6.829 3.865 1.00 0.00 H new ATOM 0 HG3 GLU A 57 -12.622 7.666 5.278 1.00 0.00 H new ATOM 903 N MET A 58 -11.129 9.183 4.387 1.00 0.00 N ATOM 904 CA MET A 58 -9.929 9.517 5.144 1.00 0.00 C ATOM 905 C MET A 58 -9.120 10.597 4.433 1.00 0.00 C ATOM 906 O MET A 58 -8.460 11.413 5.075 1.00 0.00 O ATOM 907 CB MET A 58 -9.066 8.270 5.350 1.00 0.00 C ATOM 908 CG MET A 58 -9.565 7.362 6.462 1.00 0.00 C ATOM 909 SD MET A 58 -8.278 6.269 7.096 1.00 0.00 S ATOM 910 CE MET A 58 -7.191 7.450 7.891 1.00 0.00 C ATOM 0 H MET A 58 -11.140 8.235 4.011 1.00 0.00 H new ATOM 0 HA MET A 58 -10.239 9.901 6.116 1.00 0.00 H new ATOM 0 HB2 MET A 58 -9.031 7.705 4.419 1.00 0.00 H new ATOM 0 HB3 MET A 58 -8.045 8.578 5.574 1.00 0.00 H new ATOM 0 HG2 MET A 58 -9.952 7.972 7.278 1.00 0.00 H new ATOM 0 HG3 MET A 58 -10.396 6.762 6.091 1.00 0.00 H new ATOM 0 HE1 MET A 58 -6.219 7.439 7.398 1.00 0.00 H new ATOM 0 HE2 MET A 58 -7.623 8.448 7.819 1.00 0.00 H new ATOM 0 HE3 MET A 58 -7.068 7.182 8.941 1.00 0.00 H new ATOM 920 N GLN A 59 -9.177 10.595 3.105 1.00 0.00 N ATOM 921 CA GLN A 59 -8.449 11.575 2.308 1.00 0.00 C ATOM 922 C GLN A 59 -9.195 12.905 2.266 1.00 0.00 C ATOM 923 O GLN A 59 -8.602 13.966 2.458 1.00 0.00 O ATOM 924 CB GLN A 59 -8.235 11.051 0.888 1.00 0.00 C ATOM 925 CG GLN A 59 -6.998 10.179 0.740 1.00 0.00 C ATOM 926 CD GLN A 59 -6.044 10.694 -0.320 1.00 0.00 C ATOM 927 OE1 GLN A 59 -5.483 11.782 -0.190 1.00 0.00 O ATOM 928 NE2 GLN A 59 -5.855 9.913 -1.376 1.00 0.00 N ATOM 0 H GLN A 59 -9.720 9.926 2.559 1.00 0.00 H new ATOM 0 HA GLN A 59 -7.479 11.739 2.777 1.00 0.00 H new ATOM 0 HB2 GLN A 59 -9.111 10.478 0.585 1.00 0.00 H new ATOM 0 HB3 GLN A 59 -8.156 11.897 0.206 1.00 0.00 H new ATOM 0 HG2 GLN A 59 -6.478 10.127 1.697 1.00 0.00 H new ATOM 0 HG3 GLN A 59 -7.302 9.163 0.487 1.00 0.00 H new ATOM 0 HE21 GLN A 59 -6.341 9.019 -1.442 1.00 0.00 H new ATOM 0 HE22 GLN A 59 -5.224 10.207 -2.121 1.00 0.00 H new