USER MOD reduce.3.24.130724 H: found=0, std=0, add=487, rem=0, adj=13 USER MOD reduce.3.24.130724 removed 488 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 34 HIS :FLIP no HD1:sc= 0 X(o=-0.48,f=-0.31) USER MOD Set 1.2: A 38 ASN :FLIP amide:sc= -0.31 F(o=-0.93,f=-0.31) USER MOD Single : A 8 SER OG : rot -52:sc= 0.695 USER MOD Single : A 21 LYS NZ :NH3+ -177:sc= -0.664 (180deg=-0.818) USER MOD Single : A 24 ASN : amide:sc= -0.536 X(o=-0.54,f=-0.61) USER MOD Single : A 26 TYR OH : rot 180:sc= 0 USER MOD Single : A 28 SER OG : rot 180:sc= 0 USER MOD Single : A 36 MET CE :methyl -137:sc= 0 (180deg=-1.14) USER MOD Single : A 37 THR OG1 : rot 72:sc= 0.835 USER MOD Single : A 42 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 44 THR OG1 : rot -74:sc= 0.876 USER MOD Single : A 51 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Single : A 62 GLN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 64 ASN : amide:sc= -0.507 K(o=-0.51,f=-1.6) USER MOD Single : A 65 TYR OH : rot -31:sc= 0.346 USER MOD Single : A 70 GLN : amide:sc= -0.0735 X(o=-0.073,f=-0.37) USER MOD Single : A 71 HIS :FLIP no HD1:sc= 0.137 F(o=-0.58,f=0.14) USER MOD Single : A 72 MET CE :methyl -141:sc= 0 (180deg=-0.0882) USER MOD Single : A 73 THR OG1 : rot -75:sc= 0.897 USER MOD ----------------------------------------------------------------- ATOM 110 N SER A 8 -0.458 17.466 1.213 1.00 0.00 N ATOM 111 CA SER A 8 -0.882 17.452 -0.174 1.00 0.00 C ATOM 112 C SER A 8 -0.617 16.095 -0.817 1.00 0.00 C ATOM 113 O SER A 8 0.153 15.291 -0.292 1.00 0.00 O ATOM 114 CB SER A 8 -0.164 18.552 -0.948 1.00 0.00 C ATOM 115 OG SER A 8 1.242 18.380 -0.907 1.00 0.00 O ATOM 0 HA SER A 8 -1.956 17.634 -0.205 1.00 0.00 H new ATOM 0 HB2 SER A 8 -0.502 18.550 -1.984 1.00 0.00 H new ATOM 0 HB3 SER A 8 -0.426 19.524 -0.529 1.00 0.00 H new ATOM 0 HG SER A 8 1.532 18.278 0.023 1.00 0.00 H new ATOM 121 N GLU A 9 -1.235 15.882 -1.977 1.00 0.00 N ATOM 122 CA GLU A 9 -1.191 14.603 -2.696 1.00 0.00 C ATOM 123 C GLU A 9 0.183 14.350 -3.315 1.00 0.00 C ATOM 124 O GLU A 9 0.551 13.206 -3.568 1.00 0.00 O ATOM 125 CB GLU A 9 -2.251 14.565 -3.805 1.00 0.00 C ATOM 126 CG GLU A 9 -3.649 14.986 -3.374 1.00 0.00 C ATOM 127 CD GLU A 9 -3.934 16.447 -3.661 1.00 0.00 C ATOM 128 OE1 GLU A 9 -4.386 16.760 -4.779 1.00 0.00 O ATOM 129 OE2 GLU A 9 -3.707 17.283 -2.770 1.00 0.00 O ATOM 0 H GLU A 9 -1.786 16.597 -2.452 1.00 0.00 H new ATOM 0 HA GLU A 9 -1.396 13.822 -1.964 1.00 0.00 H new ATOM 0 HB2 GLU A 9 -1.927 15.214 -4.619 1.00 0.00 H new ATOM 0 HB3 GLU A 9 -2.300 13.552 -4.205 1.00 0.00 H new ATOM 0 HG2 GLU A 9 -4.385 14.368 -3.889 1.00 0.00 H new ATOM 0 HG3 GLU A 9 -3.767 14.800 -2.307 1.00 0.00 H new ATOM 136 N GLU A 10 0.932 15.432 -3.538 1.00 0.00 N ATOM 137 CA GLU A 10 2.292 15.361 -4.072 1.00 0.00 C ATOM 138 C GLU A 10 3.295 14.940 -2.993 1.00 0.00 C ATOM 139 O GLU A 10 4.345 14.370 -3.293 1.00 0.00 O ATOM 140 CB GLU A 10 2.676 16.708 -4.663 1.00 0.00 C ATOM 141 CG GLU A 10 1.847 17.075 -5.879 1.00 0.00 C ATOM 142 CD GLU A 10 2.156 18.454 -6.397 1.00 0.00 C ATOM 143 OE1 GLU A 10 3.133 18.607 -7.152 1.00 0.00 O ATOM 144 OE2 GLU A 10 1.418 19.390 -6.048 1.00 0.00 O ATOM 0 H GLU A 10 0.612 16.383 -3.353 1.00 0.00 H new ATOM 0 HA GLU A 10 2.318 14.602 -4.854 1.00 0.00 H new ATOM 0 HB2 GLU A 10 2.558 17.480 -3.903 1.00 0.00 H new ATOM 0 HB3 GLU A 10 3.730 16.691 -4.939 1.00 0.00 H new ATOM 0 HG2 GLU A 10 2.026 16.346 -6.669 1.00 0.00 H new ATOM 0 HG3 GLU A 10 0.789 17.016 -5.624 1.00 0.00 H new ATOM 151 N GLU A 11 2.943 15.211 -1.735 1.00 0.00 N ATOM 152 CA GLU A 11 3.689 14.728 -0.574 1.00 0.00 C ATOM 153 C GLU A 11 3.391 13.248 -0.314 1.00 0.00 C ATOM 154 O GLU A 11 4.210 12.521 0.248 1.00 0.00 O ATOM 155 CB GLU A 11 3.321 15.571 0.641 1.00 0.00 C ATOM 156 CG GLU A 11 4.004 16.926 0.640 1.00 0.00 C ATOM 157 CD GLU A 11 3.549 17.793 1.779 1.00 0.00 C ATOM 158 OE1 GLU A 11 2.370 18.186 1.783 1.00 0.00 O ATOM 159 OE2 GLU A 11 4.362 18.077 2.677 1.00 0.00 O ATOM 0 H GLU A 11 2.128 15.775 -1.493 1.00 0.00 H new ATOM 0 HA GLU A 11 4.757 14.821 -0.769 1.00 0.00 H new ATOM 0 HB2 GLU A 11 2.241 15.713 0.666 1.00 0.00 H new ATOM 0 HB3 GLU A 11 3.593 15.032 1.548 1.00 0.00 H new ATOM 0 HG2 GLU A 11 5.083 16.787 0.701 1.00 0.00 H new ATOM 0 HG3 GLU A 11 3.801 17.433 -0.303 1.00 0.00 H new ATOM 166 N ILE A 12 2.211 12.822 -0.772 1.00 0.00 N ATOM 167 CA ILE A 12 1.777 11.430 -0.678 1.00 0.00 C ATOM 168 C ILE A 12 2.463 10.579 -1.769 1.00 0.00 C ATOM 169 O ILE A 12 2.602 9.373 -1.613 1.00 0.00 O ATOM 170 CB ILE A 12 0.221 11.338 -0.788 1.00 0.00 C ATOM 171 CG1 ILE A 12 -0.445 12.260 0.257 1.00 0.00 C ATOM 172 CG2 ILE A 12 -0.283 9.902 -0.632 1.00 0.00 C ATOM 173 CD1 ILE A 12 -0.210 11.876 1.706 1.00 0.00 C ATOM 0 H ILE A 12 1.530 13.436 -1.219 1.00 0.00 H new ATOM 0 HA ILE A 12 2.071 11.034 0.294 1.00 0.00 H new ATOM 0 HB ILE A 12 -0.056 11.671 -1.788 1.00 0.00 H new ATOM 0 HG12 ILE A 12 -0.082 13.276 0.104 1.00 0.00 H new ATOM 0 HG13 ILE A 12 -1.519 12.274 0.072 1.00 0.00 H new ATOM 0 HG21 ILE A 12 -1.370 9.887 -0.715 1.00 0.00 H new ATOM 0 HG22 ILE A 12 0.150 9.278 -1.414 1.00 0.00 H new ATOM 0 HG23 ILE A 12 0.011 9.517 0.344 1.00 0.00 H new ATOM 0 HD11 ILE A 12 -0.719 12.586 2.358 1.00 0.00 H new ATOM 0 HD12 ILE A 12 -0.601 10.874 1.885 1.00 0.00 H new ATOM 0 HD13 ILE A 12 0.859 11.892 1.918 1.00 0.00 H new ATOM 185 N ARG A 13 2.926 11.230 -2.850 1.00 0.00 N ATOM 186 CA ARG A 13 3.686 10.566 -3.930 1.00 0.00 C ATOM 187 C ARG A 13 5.011 9.986 -3.428 1.00 0.00 C ATOM 188 O ARG A 13 5.424 8.909 -3.868 1.00 0.00 O ATOM 189 CB ARG A 13 3.992 11.543 -5.063 1.00 0.00 C ATOM 190 CG ARG A 13 2.768 12.059 -5.775 1.00 0.00 C ATOM 191 CD ARG A 13 3.127 13.032 -6.868 1.00 0.00 C ATOM 192 NE ARG A 13 1.952 13.484 -7.613 1.00 0.00 N ATOM 193 CZ ARG A 13 1.975 14.443 -8.539 1.00 0.00 C ATOM 194 NH1 ARG A 13 3.099 15.108 -8.788 1.00 0.00 N ATOM 195 NH2 ARG A 13 0.869 14.744 -9.203 1.00 0.00 N ATOM 0 H ARG A 13 2.786 12.229 -3.002 1.00 0.00 H new ATOM 0 HA ARG A 13 3.055 9.754 -4.292 1.00 0.00 H new ATOM 0 HB2 ARG A 13 4.548 12.389 -4.659 1.00 0.00 H new ATOM 0 HB3 ARG A 13 4.641 11.051 -5.788 1.00 0.00 H new ATOM 0 HG2 ARG A 13 2.215 11.222 -6.201 1.00 0.00 H new ATOM 0 HG3 ARG A 13 2.108 12.546 -5.057 1.00 0.00 H new ATOM 0 HD2 ARG A 13 3.633 13.894 -6.433 1.00 0.00 H new ATOM 0 HD3 ARG A 13 3.831 12.562 -7.554 1.00 0.00 H new ATOM 0 HE ARG A 13 1.058 13.037 -7.411 1.00 0.00 H new ATOM 0 HH11 ARG A 13 3.949 14.885 -8.270 1.00 0.00 H new ATOM 0 HH12 ARG A 13 3.112 15.841 -9.497 1.00 0.00 H new ATOM 0 HH21 ARG A 13 0.003 14.243 -9.005 1.00 0.00 H new ATOM 0 HH22 ARG A 13 0.883 15.477 -9.912 1.00 0.00 H new ATOM 209 N GLU A 14 5.657 10.705 -2.501 1.00 0.00 N ATOM 210 CA GLU A 14 6.914 10.262 -1.906 1.00 0.00 C ATOM 211 C GLU A 14 6.654 9.079 -0.970 1.00 0.00 C ATOM 212 O GLU A 14 7.427 8.132 -0.941 1.00 0.00 O ATOM 213 CB GLU A 14 7.578 11.438 -1.162 1.00 0.00 C ATOM 214 CG GLU A 14 9.051 11.229 -0.799 1.00 0.00 C ATOM 215 CD GLU A 14 9.263 10.449 0.484 1.00 0.00 C ATOM 216 OE1 GLU A 14 8.775 10.895 1.540 1.00 0.00 O ATOM 217 OE2 GLU A 14 9.931 9.399 0.443 1.00 0.00 O ATOM 0 H GLU A 14 5.323 11.602 -2.148 1.00 0.00 H new ATOM 0 HA GLU A 14 7.597 9.928 -2.687 1.00 0.00 H new ATOM 0 HB2 GLU A 14 7.496 12.332 -1.781 1.00 0.00 H new ATOM 0 HB3 GLU A 14 7.018 11.631 -0.247 1.00 0.00 H new ATOM 0 HG2 GLU A 14 9.546 10.705 -1.617 1.00 0.00 H new ATOM 0 HG3 GLU A 14 9.533 12.202 -0.705 1.00 0.00 H new ATOM 224 N ALA A 15 5.538 9.130 -0.239 1.00 0.00 N ATOM 225 CA ALA A 15 5.160 8.051 0.671 1.00 0.00 C ATOM 226 C ALA A 15 4.724 6.791 -0.093 1.00 0.00 C ATOM 227 O ALA A 15 4.932 5.675 0.371 1.00 0.00 O ATOM 228 CB ALA A 15 4.052 8.512 1.605 1.00 0.00 C ATOM 0 H ALA A 15 4.880 9.909 -0.261 1.00 0.00 H new ATOM 0 HA ALA A 15 6.039 7.792 1.261 1.00 0.00 H new ATOM 0 HB1 ALA A 15 3.781 7.698 2.277 1.00 0.00 H new ATOM 0 HB2 ALA A 15 4.399 9.364 2.189 1.00 0.00 H new ATOM 0 HB3 ALA A 15 3.181 8.805 1.019 1.00 0.00 H new ATOM 234 N PHE A 16 4.148 6.998 -1.282 1.00 0.00 N ATOM 235 CA PHE A 16 3.664 5.922 -2.147 1.00 0.00 C ATOM 236 C PHE A 16 4.812 5.057 -2.679 1.00 0.00 C ATOM 237 O PHE A 16 4.686 3.834 -2.745 1.00 0.00 O ATOM 238 CB PHE A 16 2.850 6.529 -3.310 1.00 0.00 C ATOM 239 CG PHE A 16 2.358 5.530 -4.321 1.00 0.00 C ATOM 240 CD1 PHE A 16 1.365 4.624 -3.996 1.00 0.00 C ATOM 241 CD2 PHE A 16 2.901 5.491 -5.594 1.00 0.00 C ATOM 242 CE1 PHE A 16 0.928 3.697 -4.914 1.00 0.00 C ATOM 243 CE2 PHE A 16 2.463 4.567 -6.517 1.00 0.00 C ATOM 244 CZ PHE A 16 1.477 3.670 -6.176 1.00 0.00 C ATOM 0 H PHE A 16 4.004 7.929 -1.673 1.00 0.00 H new ATOM 0 HA PHE A 16 3.023 5.267 -1.556 1.00 0.00 H new ATOM 0 HB2 PHE A 16 1.992 7.060 -2.897 1.00 0.00 H new ATOM 0 HB3 PHE A 16 3.467 7.268 -3.820 1.00 0.00 H new ATOM 0 HD1 PHE A 16 0.927 4.644 -3.009 1.00 0.00 H new ATOM 0 HD2 PHE A 16 3.676 6.192 -5.866 1.00 0.00 H new ATOM 0 HE1 PHE A 16 0.156 2.992 -4.645 1.00 0.00 H new ATOM 0 HE2 PHE A 16 2.893 4.547 -7.507 1.00 0.00 H new ATOM 0 HZ PHE A 16 1.134 2.945 -6.899 1.00 0.00 H new ATOM 254 N ARG A 17 5.934 5.695 -3.024 1.00 0.00 N ATOM 255 CA ARG A 17 7.075 4.993 -3.603 1.00 0.00 C ATOM 256 C ARG A 17 7.861 4.187 -2.558 1.00 0.00 C ATOM 257 O ARG A 17 8.672 3.337 -2.926 1.00 0.00 O ATOM 258 CB ARG A 17 7.962 5.965 -4.371 1.00 0.00 C ATOM 259 CG ARG A 17 8.715 6.966 -3.537 1.00 0.00 C ATOM 260 CD ARG A 17 10.186 6.727 -3.701 1.00 0.00 C ATOM 261 NE ARG A 17 10.697 5.656 -2.832 1.00 0.00 N ATOM 262 CZ ARG A 17 11.269 5.839 -1.635 1.00 0.00 C ATOM 263 NH1 ARG A 17 11.350 7.050 -1.093 1.00 0.00 N ATOM 264 NH2 ARG A 17 11.729 4.787 -0.964 1.00 0.00 N ATOM 0 H ARG A 17 6.073 6.699 -2.911 1.00 0.00 H new ATOM 0 HA ARG A 17 6.690 4.259 -4.311 1.00 0.00 H new ATOM 0 HB2 ARG A 17 8.683 5.389 -4.951 1.00 0.00 H new ATOM 0 HB3 ARG A 17 7.341 6.508 -5.083 1.00 0.00 H new ATOM 0 HG2 ARG A 17 8.461 7.980 -3.845 1.00 0.00 H new ATOM 0 HG3 ARG A 17 8.432 6.872 -2.489 1.00 0.00 H new ATOM 0 HD2 ARG A 17 10.393 6.473 -4.741 1.00 0.00 H new ATOM 0 HD3 ARG A 17 10.724 7.650 -3.485 1.00 0.00 H new ATOM 0 HE ARG A 17 10.609 4.697 -3.168 1.00 0.00 H new ATOM 0 HH11 ARG A 17 10.973 7.857 -1.590 1.00 0.00 H new ATOM 0 HH12 ARG A 17 11.789 7.172 -0.180 1.00 0.00 H new ATOM 0 HH21 ARG A 17 11.644 3.852 -1.362 1.00 0.00 H new ATOM 0 HH22 ARG A 17 12.166 4.916 -0.052 1.00 0.00 H new ATOM 278 N VAL A 18 7.639 4.466 -1.263 1.00 0.00 N ATOM 279 CA VAL A 18 8.240 3.661 -0.189 1.00 0.00 C ATOM 280 C VAL A 18 7.434 2.396 -0.021 1.00 0.00 C ATOM 281 O VAL A 18 7.986 1.304 0.099 1.00 0.00 O ATOM 282 CB VAL A 18 8.247 4.348 1.201 1.00 0.00 C ATOM 283 CG1 VAL A 18 9.382 3.828 2.067 1.00 0.00 C ATOM 284 CG2 VAL A 18 8.299 5.841 1.088 1.00 0.00 C ATOM 0 H VAL A 18 7.054 5.235 -0.937 1.00 0.00 H new ATOM 0 HA VAL A 18 9.273 3.493 -0.494 1.00 0.00 H new ATOM 0 HB VAL A 18 7.306 4.092 1.688 1.00 0.00 H new ATOM 0 HG11 VAL A 18 9.360 4.329 3.035 1.00 0.00 H new ATOM 0 HG12 VAL A 18 9.267 2.754 2.212 1.00 0.00 H new ATOM 0 HG13 VAL A 18 10.335 4.028 1.577 1.00 0.00 H new ATOM 0 HG21 VAL A 18 8.302 6.281 2.085 1.00 0.00 H new ATOM 0 HG22 VAL A 18 9.206 6.134 0.559 1.00 0.00 H new ATOM 0 HG23 VAL A 18 7.427 6.195 0.538 1.00 0.00 H new ATOM 294 N PHE A 19 6.112 2.569 -0.029 1.00 0.00 N ATOM 295 CA PHE A 19 5.192 1.487 0.241 1.00 0.00 C ATOM 296 C PHE A 19 5.101 0.502 -0.933 1.00 0.00 C ATOM 297 O PHE A 19 4.788 -0.676 -0.749 1.00 0.00 O ATOM 298 CB PHE A 19 3.810 2.029 0.612 1.00 0.00 C ATOM 299 CG PHE A 19 3.685 2.412 2.064 1.00 0.00 C ATOM 300 CD1 PHE A 19 4.165 3.624 2.532 1.00 0.00 C ATOM 301 CD2 PHE A 19 3.079 1.554 2.961 1.00 0.00 C ATOM 302 CE1 PHE A 19 4.044 3.970 3.862 1.00 0.00 C ATOM 303 CE2 PHE A 19 2.955 1.893 4.293 1.00 0.00 C ATOM 304 CZ PHE A 19 3.439 3.104 4.744 1.00 0.00 C ATOM 0 H PHE A 19 5.660 3.463 -0.223 1.00 0.00 H new ATOM 0 HA PHE A 19 5.584 0.933 1.094 1.00 0.00 H new ATOM 0 HB2 PHE A 19 3.592 2.900 -0.006 1.00 0.00 H new ATOM 0 HB3 PHE A 19 3.058 1.276 0.377 1.00 0.00 H new ATOM 0 HD1 PHE A 19 4.641 4.308 1.845 1.00 0.00 H new ATOM 0 HD2 PHE A 19 2.697 0.605 2.615 1.00 0.00 H new ATOM 0 HE1 PHE A 19 4.424 4.919 4.211 1.00 0.00 H new ATOM 0 HE2 PHE A 19 2.479 1.211 4.982 1.00 0.00 H new ATOM 0 HZ PHE A 19 3.343 3.371 5.786 1.00 0.00 H new ATOM 314 N ASP A 20 5.380 1.000 -2.132 1.00 0.00 N ATOM 315 CA ASP A 20 5.581 0.150 -3.292 1.00 0.00 C ATOM 316 C ASP A 20 7.054 -0.279 -3.335 1.00 0.00 C ATOM 317 O ASP A 20 7.940 0.532 -3.600 1.00 0.00 O ATOM 318 CB ASP A 20 5.177 0.853 -4.601 1.00 0.00 C ATOM 319 CG ASP A 20 5.038 -0.117 -5.765 1.00 0.00 C ATOM 320 OD1 ASP A 20 5.883 -0.991 -5.922 1.00 0.00 O ATOM 321 OD2 ASP A 20 4.088 -0.032 -6.536 1.00 0.00 O ATOM 0 H ASP A 20 5.472 1.998 -2.324 1.00 0.00 H new ATOM 0 HA ASP A 20 4.939 -0.726 -3.201 1.00 0.00 H new ATOM 0 HB2 ASP A 20 4.232 1.375 -4.452 1.00 0.00 H new ATOM 0 HB3 ASP A 20 5.923 1.608 -4.849 1.00 0.00 H new ATOM 326 N LYS A 21 7.288 -1.563 -3.076 1.00 0.00 N ATOM 327 CA LYS A 21 8.642 -2.130 -2.977 1.00 0.00 C ATOM 328 C LYS A 21 9.380 -2.253 -4.316 1.00 0.00 C ATOM 329 O LYS A 21 10.606 -2.375 -4.338 1.00 0.00 O ATOM 330 CB LYS A 21 8.578 -3.505 -2.313 1.00 0.00 C ATOM 331 CG LYS A 21 8.314 -3.456 -0.814 1.00 0.00 C ATOM 332 CD LYS A 21 9.601 -3.438 0.014 1.00 0.00 C ATOM 333 CE LYS A 21 10.442 -2.177 -0.167 1.00 0.00 C ATOM 334 NZ LYS A 21 9.763 -0.973 0.356 1.00 0.00 N ATOM 0 H LYS A 21 6.546 -2.247 -2.927 1.00 0.00 H new ATOM 0 HA LYS A 21 9.214 -1.423 -2.376 1.00 0.00 H new ATOM 0 HB2 LYS A 21 7.794 -4.092 -2.791 1.00 0.00 H new ATOM 0 HB3 LYS A 21 9.519 -4.027 -2.489 1.00 0.00 H new ATOM 0 HG2 LYS A 21 7.726 -2.568 -0.582 1.00 0.00 H new ATOM 0 HG3 LYS A 21 7.714 -4.320 -0.527 1.00 0.00 H new ATOM 0 HD2 LYS A 21 9.343 -3.542 1.068 1.00 0.00 H new ATOM 0 HD3 LYS A 21 10.204 -4.305 -0.253 1.00 0.00 H new ATOM 0 HE2 LYS A 21 11.397 -2.303 0.342 1.00 0.00 H new ATOM 0 HE3 LYS A 21 10.661 -2.037 -1.226 1.00 0.00 H new ATOM 0 HZ1 LYS A 21 10.348 -0.134 0.166 1.00 0.00 H new ATOM 0 HZ2 LYS A 21 8.840 -0.864 -0.111 1.00 0.00 H new ATOM 0 HZ3 LYS A 21 9.622 -1.072 1.382 1.00 0.00 H new ATOM 348 N ASP A 22 8.643 -2.213 -5.415 1.00 0.00 N ATOM 349 CA ASP A 22 9.236 -2.389 -6.741 1.00 0.00 C ATOM 350 C ASP A 22 9.092 -1.126 -7.604 1.00 0.00 C ATOM 351 O ASP A 22 9.746 -1.005 -8.634 1.00 0.00 O ATOM 352 CB ASP A 22 8.581 -3.596 -7.447 1.00 0.00 C ATOM 353 CG ASP A 22 7.071 -3.620 -7.309 1.00 0.00 C ATOM 354 OD1 ASP A 22 6.398 -2.847 -7.976 1.00 0.00 O ATOM 355 OD2 ASP A 22 6.544 -4.382 -6.491 1.00 0.00 O ATOM 0 H ASP A 22 7.634 -2.061 -5.420 1.00 0.00 H new ATOM 0 HA ASP A 22 10.302 -2.575 -6.611 1.00 0.00 H new ATOM 0 HB2 ASP A 22 8.843 -3.576 -8.505 1.00 0.00 H new ATOM 0 HB3 ASP A 22 8.992 -4.517 -7.034 1.00 0.00 H new ATOM 360 N GLY A 23 8.284 -0.175 -7.128 1.00 0.00 N ATOM 361 CA GLY A 23 8.030 1.074 -7.838 1.00 0.00 C ATOM 362 C GLY A 23 7.256 0.905 -9.148 1.00 0.00 C ATOM 363 O GLY A 23 7.611 1.527 -10.146 1.00 0.00 O ATOM 0 H GLY A 23 7.789 -0.253 -6.239 1.00 0.00 H new ATOM 0 HA2 GLY A 23 7.472 1.744 -7.184 1.00 0.00 H new ATOM 0 HA3 GLY A 23 8.983 1.558 -8.052 1.00 0.00 H new ATOM 367 N ASN A 24 6.200 0.078 -9.162 1.00 0.00 N ATOM 368 CA ASN A 24 5.445 -0.163 -10.406 1.00 0.00 C ATOM 369 C ASN A 24 4.127 0.624 -10.448 1.00 0.00 C ATOM 370 O ASN A 24 3.538 0.792 -11.520 1.00 0.00 O ATOM 371 CB ASN A 24 5.193 -1.677 -10.630 1.00 0.00 C ATOM 372 CG ASN A 24 3.927 -2.227 -9.965 1.00 0.00 C ATOM 373 OD1 ASN A 24 3.820 -2.297 -8.741 1.00 0.00 O ATOM 374 ND2 ASN A 24 2.980 -2.657 -10.774 1.00 0.00 N ATOM 0 H ASN A 24 5.853 -0.427 -8.346 1.00 0.00 H new ATOM 0 HA ASN A 24 6.065 0.203 -11.224 1.00 0.00 H new ATOM 0 HB2 ASN A 24 5.134 -1.866 -11.702 1.00 0.00 H new ATOM 0 HB3 ASN A 24 6.053 -2.233 -10.256 1.00 0.00 H new ATOM 0 HD21 ASN A 24 2.127 -3.063 -10.390 1.00 0.00 H new ATOM 0 HD22 ASN A 24 3.100 -2.584 -11.784 1.00 0.00 H new ATOM 381 N GLY A 25 3.663 1.099 -9.289 1.00 0.00 N ATOM 382 CA GLY A 25 2.413 1.847 -9.232 1.00 0.00 C ATOM 383 C GLY A 25 1.264 1.061 -8.614 1.00 0.00 C ATOM 384 O GLY A 25 0.140 1.556 -8.548 1.00 0.00 O ATOM 0 H GLY A 25 4.130 0.979 -8.390 1.00 0.00 H new ATOM 0 HA2 GLY A 25 2.570 2.759 -8.656 1.00 0.00 H new ATOM 0 HA3 GLY A 25 2.134 2.151 -10.241 1.00 0.00 H new ATOM 388 N TYR A 26 1.549 -0.161 -8.167 1.00 0.00 N ATOM 389 CA TYR A 26 0.564 -0.995 -7.481 1.00 0.00 C ATOM 390 C TYR A 26 1.180 -1.608 -6.233 1.00 0.00 C ATOM 391 O TYR A 26 2.251 -2.214 -6.300 1.00 0.00 O ATOM 392 CB TYR A 26 0.085 -2.136 -8.388 1.00 0.00 C ATOM 393 CG TYR A 26 -0.761 -1.697 -9.551 1.00 0.00 C ATOM 394 CD1 TYR A 26 -2.039 -1.227 -9.341 1.00 0.00 C ATOM 395 CD2 TYR A 26 -0.285 -1.750 -10.853 1.00 0.00 C ATOM 396 CE1 TYR A 26 -2.824 -0.822 -10.385 1.00 0.00 C ATOM 397 CE2 TYR A 26 -1.069 -1.340 -11.912 1.00 0.00 C ATOM 398 CZ TYR A 26 -2.342 -0.878 -11.669 1.00 0.00 C ATOM 399 OH TYR A 26 -3.132 -0.459 -12.712 1.00 0.00 O ATOM 0 H TYR A 26 2.464 -0.599 -8.269 1.00 0.00 H new ATOM 0 HA TYR A 26 -0.281 -0.360 -7.217 1.00 0.00 H new ATOM 0 HB2 TYR A 26 0.956 -2.669 -8.770 1.00 0.00 H new ATOM 0 HB3 TYR A 26 -0.485 -2.845 -7.788 1.00 0.00 H new ATOM 0 HD1 TYR A 26 -2.428 -1.178 -8.335 1.00 0.00 H new ATOM 0 HD2 TYR A 26 0.713 -2.117 -11.040 1.00 0.00 H new ATOM 0 HE1 TYR A 26 -3.824 -0.458 -10.199 1.00 0.00 H new ATOM 0 HE2 TYR A 26 -0.687 -1.381 -12.921 1.00 0.00 H new ATOM 0 HH TYR A 26 -2.643 -0.562 -13.555 1.00 0.00 H new ATOM 409 N ILE A 27 0.493 -1.480 -5.110 1.00 0.00 N ATOM 410 CA ILE A 27 0.950 -2.049 -3.851 1.00 0.00 C ATOM 411 C ILE A 27 0.130 -3.295 -3.528 1.00 0.00 C ATOM 412 O ILE A 27 -1.076 -3.220 -3.306 1.00 0.00 O ATOM 413 CB ILE A 27 0.833 -1.031 -2.679 1.00 0.00 C ATOM 414 CG1 ILE A 27 1.544 0.286 -3.034 1.00 0.00 C ATOM 415 CG2 ILE A 27 1.422 -1.618 -1.391 1.00 0.00 C ATOM 416 CD1 ILE A 27 1.281 1.413 -2.058 1.00 0.00 C ATOM 0 H ILE A 27 -0.394 -0.981 -5.044 1.00 0.00 H new ATOM 0 HA ILE A 27 2.003 -2.309 -3.964 1.00 0.00 H new ATOM 0 HB ILE A 27 -0.224 -0.824 -2.514 1.00 0.00 H new ATOM 0 HG12 ILE A 27 2.618 0.105 -3.083 1.00 0.00 H new ATOM 0 HG13 ILE A 27 1.228 0.600 -4.029 1.00 0.00 H new ATOM 0 HG21 ILE A 27 1.330 -0.891 -0.584 1.00 0.00 H new ATOM 0 HG22 ILE A 27 0.881 -2.526 -1.124 1.00 0.00 H new ATOM 0 HG23 ILE A 27 2.474 -1.856 -1.547 1.00 0.00 H new ATOM 0 HD11 ILE A 27 1.818 2.305 -2.379 1.00 0.00 H new ATOM 0 HD12 ILE A 27 0.212 1.624 -2.026 1.00 0.00 H new ATOM 0 HD13 ILE A 27 1.623 1.122 -1.065 1.00 0.00 H new ATOM 428 N SER A 28 0.788 -4.439 -3.531 1.00 0.00 N ATOM 429 CA SER A 28 0.143 -5.686 -3.155 1.00 0.00 C ATOM 430 C SER A 28 0.398 -5.996 -1.677 1.00 0.00 C ATOM 431 O SER A 28 1.109 -5.251 -0.997 1.00 0.00 O ATOM 432 CB SER A 28 0.650 -6.812 -4.054 1.00 0.00 C ATOM 433 OG SER A 28 0.386 -6.505 -5.414 1.00 0.00 O ATOM 0 H SER A 28 1.770 -4.532 -3.790 1.00 0.00 H new ATOM 0 HA SER A 28 -0.935 -5.593 -3.290 1.00 0.00 H new ATOM 0 HB2 SER A 28 1.721 -6.952 -3.906 1.00 0.00 H new ATOM 0 HB3 SER A 28 0.165 -7.750 -3.784 1.00 0.00 H new ATOM 0 HG SER A 28 0.716 -7.231 -5.983 1.00 0.00 H new ATOM 439 N ALA A 29 -0.184 -7.096 -1.192 1.00 0.00 N ATOM 440 CA ALA A 29 -0.055 -7.512 0.209 1.00 0.00 C ATOM 441 C ALA A 29 1.358 -8.012 0.527 1.00 0.00 C ATOM 442 O ALA A 29 1.836 -7.845 1.644 1.00 0.00 O ATOM 443 CB ALA A 29 -1.083 -8.587 0.535 1.00 0.00 C ATOM 0 H ALA A 29 -0.757 -7.723 -1.757 1.00 0.00 H new ATOM 0 HA ALA A 29 -0.241 -6.637 0.832 1.00 0.00 H new ATOM 0 HB1 ALA A 29 -0.977 -8.887 1.577 1.00 0.00 H new ATOM 0 HB2 ALA A 29 -2.086 -8.193 0.371 1.00 0.00 H new ATOM 0 HB3 ALA A 29 -0.923 -9.451 -0.110 1.00 0.00 H new ATOM 449 N ALA A 30 2.019 -8.604 -0.475 1.00 0.00 N ATOM 450 CA ALA A 30 3.409 -9.046 -0.355 1.00 0.00 C ATOM 451 C ALA A 30 4.362 -7.855 -0.228 1.00 0.00 C ATOM 452 O ALA A 30 5.373 -7.931 0.480 1.00 0.00 O ATOM 453 CB ALA A 30 3.783 -9.896 -1.557 1.00 0.00 C ATOM 0 H ALA A 30 1.605 -8.789 -1.389 1.00 0.00 H new ATOM 0 HA ALA A 30 3.502 -9.643 0.552 1.00 0.00 H new ATOM 0 HB1 ALA A 30 4.819 -10.223 -1.463 1.00 0.00 H new ATOM 0 HB2 ALA A 30 3.130 -10.768 -1.604 1.00 0.00 H new ATOM 0 HB3 ALA A 30 3.669 -9.308 -2.468 1.00 0.00 H new ATOM 459 N GLU A 31 4.000 -6.753 -0.897 1.00 0.00 N ATOM 460 CA GLU A 31 4.782 -5.520 -0.867 1.00 0.00 C ATOM 461 C GLU A 31 4.619 -4.803 0.462 1.00 0.00 C ATOM 462 O GLU A 31 5.610 -4.410 1.060 1.00 0.00 O ATOM 463 CB GLU A 31 4.365 -4.587 -1.995 1.00 0.00 C ATOM 464 CG GLU A 31 4.567 -5.176 -3.369 1.00 0.00 C ATOM 465 CD GLU A 31 4.213 -4.201 -4.464 1.00 0.00 C ATOM 466 OE1 GLU A 31 4.610 -3.031 -4.374 1.00 0.00 O ATOM 467 OE2 GLU A 31 3.568 -4.598 -5.450 1.00 0.00 O ATOM 0 H GLU A 31 3.159 -6.695 -1.471 1.00 0.00 H new ATOM 0 HA GLU A 31 5.829 -5.795 -0.996 1.00 0.00 H new ATOM 0 HB2 GLU A 31 3.314 -4.327 -1.871 1.00 0.00 H new ATOM 0 HB3 GLU A 31 4.934 -3.660 -1.918 1.00 0.00 H new ATOM 0 HG2 GLU A 31 5.606 -5.484 -3.481 1.00 0.00 H new ATOM 0 HG3 GLU A 31 3.956 -6.073 -3.472 1.00 0.00 H new ATOM 474 N LEU A 32 3.367 -4.684 0.931 1.00 0.00 N ATOM 475 CA LEU A 32 3.054 -3.998 2.188 1.00 0.00 C ATOM 476 C LEU A 32 3.628 -4.745 3.396 1.00 0.00 C ATOM 477 O LEU A 32 4.095 -4.115 4.341 1.00 0.00 O ATOM 478 CB LEU A 32 1.534 -3.822 2.345 1.00 0.00 C ATOM 479 CG LEU A 32 1.072 -3.120 3.636 1.00 0.00 C ATOM 480 CD1 LEU A 32 1.640 -1.714 3.734 1.00 0.00 C ATOM 481 CD2 LEU A 32 -0.441 -3.078 3.713 1.00 0.00 C ATOM 0 H LEU A 32 2.549 -5.059 0.450 1.00 0.00 H new ATOM 0 HA LEU A 32 3.522 -3.014 2.149 1.00 0.00 H new ATOM 0 HB2 LEU A 32 1.163 -3.254 1.492 1.00 0.00 H new ATOM 0 HB3 LEU A 32 1.067 -4.806 2.301 1.00 0.00 H new ATOM 0 HG LEU A 32 1.450 -3.699 4.478 1.00 0.00 H new ATOM 0 HD11 LEU A 32 1.295 -1.246 4.656 1.00 0.00 H new ATOM 0 HD12 LEU A 32 2.729 -1.761 3.736 1.00 0.00 H new ATOM 0 HD13 LEU A 32 1.304 -1.125 2.880 1.00 0.00 H new ATOM 0 HD21 LEU A 32 -0.745 -2.578 4.633 1.00 0.00 H new ATOM 0 HD22 LEU A 32 -0.834 -2.531 2.856 1.00 0.00 H new ATOM 0 HD23 LEU A 32 -0.834 -4.095 3.706 1.00 0.00 H new ATOM 493 N ARG A 33 3.623 -6.082 3.335 1.00 0.00 N ATOM 494 CA ARG A 33 4.194 -6.909 4.401 1.00 0.00 C ATOM 495 C ARG A 33 5.717 -6.746 4.447 1.00 0.00 C ATOM 496 O ARG A 33 6.310 -6.726 5.525 1.00 0.00 O ATOM 497 CB ARG A 33 3.820 -8.386 4.205 1.00 0.00 C ATOM 498 CG ARG A 33 4.304 -9.285 5.328 1.00 0.00 C ATOM 499 CD ARG A 33 4.045 -10.747 5.044 1.00 0.00 C ATOM 500 NE ARG A 33 4.766 -11.598 5.994 1.00 0.00 N ATOM 501 CZ ARG A 33 4.941 -12.916 5.866 1.00 0.00 C ATOM 502 NH1 ARG A 33 4.388 -13.589 4.863 1.00 0.00 N ATOM 503 NH2 ARG A 33 5.670 -13.564 6.765 1.00 0.00 N ATOM 0 H ARG A 33 3.229 -6.613 2.558 1.00 0.00 H new ATOM 0 HA ARG A 33 3.779 -6.574 5.352 1.00 0.00 H new ATOM 0 HB2 ARG A 33 2.736 -8.471 4.123 1.00 0.00 H new ATOM 0 HB3 ARG A 33 4.239 -8.737 3.262 1.00 0.00 H new ATOM 0 HG2 ARG A 33 5.372 -9.130 5.480 1.00 0.00 H new ATOM 0 HG3 ARG A 33 3.806 -9.004 6.256 1.00 0.00 H new ATOM 0 HD2 ARG A 33 2.976 -10.950 5.106 1.00 0.00 H new ATOM 0 HD3 ARG A 33 4.356 -10.985 4.027 1.00 0.00 H new ATOM 0 HE ARG A 33 5.166 -11.149 6.818 1.00 0.00 H new ATOM 0 HH11 ARG A 33 3.818 -13.099 4.173 1.00 0.00 H new ATOM 0 HH12 ARG A 33 4.534 -14.595 4.783 1.00 0.00 H new ATOM 0 HH21 ARG A 33 6.090 -13.056 7.543 1.00 0.00 H new ATOM 0 HH22 ARG A 33 5.811 -14.570 6.678 1.00 0.00 H new ATOM 517 N HIS A 34 6.333 -6.580 3.271 1.00 0.00 N ATOM 518 CA HIS A 34 7.775 -6.383 3.175 1.00 0.00 C ATOM 519 C HIS A 34 8.168 -4.996 3.712 1.00 0.00 C ATOM 520 O HIS A 34 9.190 -4.877 4.365 1.00 0.00 O ATOM 521 CB HIS A 34 8.256 -6.568 1.728 1.00 0.00 C ATOM 522 CG HIS A 34 9.701 -6.960 1.604 1.00 0.00 C ATOM 523 ND1 HIS A 34 10.837 -6.255 1.811 1.00 0.00 N flip ATOM 524 CD2 HIS A 34 10.104 -8.213 1.213 1.00 0.00 C flip ATOM 525 CE1 HIS A 34 11.891 -7.089 1.544 1.00 0.00 C flip ATOM 526 NE2 HIS A 34 11.419 -8.265 1.188 1.00 0.00 N flip ATOM 0 H HIS A 34 5.849 -6.579 2.373 1.00 0.00 H new ATOM 0 HA HIS A 34 8.265 -7.137 3.790 1.00 0.00 H new ATOM 0 HB2 HIS A 34 7.642 -7.330 1.248 1.00 0.00 H new ATOM 0 HB3 HIS A 34 8.095 -5.638 1.182 1.00 0.00 H new ATOM 0 HD2 HIS A 34 9.443 -9.030 0.964 1.00 0.00 H new ATOM 0 HE1 HIS A 34 12.936 -6.825 1.614 1.00 0.00 H new ATOM 0 HE2 HIS A 34 11.978 -9.080 0.935 1.00 0.00 H new ATOM 535 N VAL A 35 7.328 -3.972 3.454 1.00 0.00 N ATOM 536 CA VAL A 35 7.528 -2.605 3.986 1.00 0.00 C ATOM 537 C VAL A 35 7.434 -2.596 5.514 1.00 0.00 C ATOM 538 O VAL A 35 8.231 -1.931 6.178 1.00 0.00 O ATOM 539 CB VAL A 35 6.503 -1.588 3.390 1.00 0.00 C ATOM 540 CG1 VAL A 35 6.667 -0.184 3.970 1.00 0.00 C ATOM 541 CG2 VAL A 35 6.647 -1.522 1.891 1.00 0.00 C ATOM 0 H VAL A 35 6.495 -4.067 2.873 1.00 0.00 H new ATOM 0 HA VAL A 35 8.528 -2.293 3.684 1.00 0.00 H new ATOM 0 HB VAL A 35 5.510 -1.948 3.660 1.00 0.00 H new ATOM 0 HG11 VAL A 35 5.930 0.483 3.522 1.00 0.00 H new ATOM 0 HG12 VAL A 35 6.518 -0.217 5.049 1.00 0.00 H new ATOM 0 HG13 VAL A 35 7.670 0.184 3.753 1.00 0.00 H new ATOM 0 HG21 VAL A 35 5.927 -0.810 1.487 1.00 0.00 H new ATOM 0 HG22 VAL A 35 7.657 -1.201 1.636 1.00 0.00 H new ATOM 0 HG23 VAL A 35 6.461 -2.507 1.464 1.00 0.00 H new ATOM 551 N MET A 36 6.481 -3.365 6.054 1.00 0.00 N ATOM 552 CA MET A 36 6.336 -3.539 7.502 1.00 0.00 C ATOM 553 C MET A 36 7.596 -4.152 8.110 1.00 0.00 C ATOM 554 O MET A 36 8.090 -3.654 9.111 1.00 0.00 O ATOM 555 CB MET A 36 5.113 -4.408 7.824 1.00 0.00 C ATOM 556 CG MET A 36 3.788 -3.723 7.547 1.00 0.00 C ATOM 557 SD MET A 36 3.524 -2.262 8.564 1.00 0.00 S ATOM 558 CE MET A 36 2.046 -1.592 7.809 1.00 0.00 C ATOM 0 H MET A 36 5.794 -3.880 5.503 1.00 0.00 H new ATOM 0 HA MET A 36 6.189 -2.553 7.943 1.00 0.00 H new ATOM 0 HB2 MET A 36 5.167 -5.326 7.239 1.00 0.00 H new ATOM 0 HB3 MET A 36 5.150 -4.697 8.874 1.00 0.00 H new ATOM 0 HG2 MET A 36 3.745 -3.439 6.495 1.00 0.00 H new ATOM 0 HG3 MET A 36 2.977 -4.430 7.720 1.00 0.00 H new ATOM 0 HE1 MET A 36 2.146 -0.511 7.709 1.00 0.00 H new ATOM 0 HE2 MET A 36 1.907 -2.036 6.823 1.00 0.00 H new ATOM 0 HE3 MET A 36 1.183 -1.820 8.434 1.00 0.00 H new ATOM 568 N THR A 37 8.149 -5.183 7.446 1.00 0.00 N ATOM 569 CA THR A 37 9.366 -5.875 7.907 1.00 0.00 C ATOM 570 C THR A 37 10.625 -4.982 7.765 1.00 0.00 C ATOM 571 O THR A 37 11.582 -5.120 8.539 1.00 0.00 O ATOM 572 CB THR A 37 9.550 -7.222 7.149 1.00 0.00 C ATOM 573 OG1 THR A 37 8.317 -7.958 7.160 1.00 0.00 O ATOM 574 CG2 THR A 37 10.625 -8.093 7.793 1.00 0.00 C ATOM 0 H THR A 37 7.767 -5.559 6.578 1.00 0.00 H new ATOM 0 HA THR A 37 9.241 -6.090 8.968 1.00 0.00 H new ATOM 0 HB THR A 37 9.853 -6.980 6.130 1.00 0.00 H new ATOM 0 HG1 THR A 37 7.670 -7.521 6.567 1.00 0.00 H new ATOM 0 HG21 THR A 37 10.722 -9.024 7.234 1.00 0.00 H new ATOM 0 HG22 THR A 37 11.577 -7.563 7.783 1.00 0.00 H new ATOM 0 HG23 THR A 37 10.344 -8.316 8.822 1.00 0.00 H new ATOM 582 N ASN A 38 10.601 -4.042 6.807 1.00 0.00 N ATOM 583 CA ASN A 38 11.674 -3.043 6.640 1.00 0.00 C ATOM 584 C ASN A 38 11.696 -2.059 7.805 1.00 0.00 C ATOM 585 O ASN A 38 12.757 -1.582 8.210 1.00 0.00 O ATOM 586 CB ASN A 38 11.500 -2.252 5.333 1.00 0.00 C ATOM 587 CG ASN A 38 11.738 -3.066 4.076 1.00 0.00 C ATOM 588 OD1 ASN A 38 12.666 -4.005 4.127 1.00 0.00 O flip ATOM 589 ND2 ASN A 38 11.098 -2.834 3.054 1.00 0.00 N flip ATOM 0 H ASN A 38 9.844 -3.951 6.130 1.00 0.00 H new ATOM 0 HA ASN A 38 12.615 -3.593 6.609 1.00 0.00 H new ATOM 0 HB2 ASN A 38 10.490 -1.843 5.301 1.00 0.00 H new ATOM 0 HB3 ASN A 38 12.187 -1.406 5.340 1.00 0.00 H new ATOM 0 HD21 ASN A 38 10.389 -2.101 3.052 1.00 0.00 H new ATOM 0 HD22 ASN A 38 11.276 -3.374 2.207 1.00 0.00 H new ATOM 596 N LEU A 39 10.514 -1.757 8.328 1.00 0.00 N ATOM 597 CA LEU A 39 10.347 -0.854 9.454 1.00 0.00 C ATOM 598 C LEU A 39 10.500 -1.569 10.811 1.00 0.00 C ATOM 599 O LEU A 39 10.350 -0.945 11.867 1.00 0.00 O ATOM 600 CB LEU A 39 8.966 -0.198 9.346 1.00 0.00 C ATOM 601 CG LEU A 39 8.868 1.113 8.541 1.00 0.00 C ATOM 602 CD1 LEU A 39 9.594 2.232 9.261 1.00 0.00 C ATOM 603 CD2 LEU A 39 9.396 0.988 7.113 1.00 0.00 C ATOM 0 H LEU A 39 9.636 -2.138 7.976 1.00 0.00 H new ATOM 0 HA LEU A 39 11.134 -0.101 9.414 1.00 0.00 H new ATOM 0 HB2 LEU A 39 8.283 -0.920 8.899 1.00 0.00 H new ATOM 0 HB3 LEU A 39 8.606 -0.002 10.356 1.00 0.00 H new ATOM 0 HG LEU A 39 7.806 1.345 8.466 1.00 0.00 H new ATOM 0 HD11 LEU A 39 9.515 3.150 8.679 1.00 0.00 H new ATOM 0 HD12 LEU A 39 9.145 2.385 10.243 1.00 0.00 H new ATOM 0 HD13 LEU A 39 10.645 1.967 9.380 1.00 0.00 H new ATOM 0 HD21 LEU A 39 9.297 1.946 6.603 1.00 0.00 H new ATOM 0 HD22 LEU A 39 10.446 0.697 7.138 1.00 0.00 H new ATOM 0 HD23 LEU A 39 8.822 0.232 6.578 1.00 0.00 H new ATOM 615 N GLY A 40 10.797 -2.874 10.774 1.00 0.00 N ATOM 616 CA GLY A 40 11.045 -3.629 11.993 1.00 0.00 C ATOM 617 C GLY A 40 9.786 -4.199 12.615 1.00 0.00 C ATOM 618 O GLY A 40 9.774 -4.530 13.797 1.00 0.00 O ATOM 0 H GLY A 40 10.869 -3.420 9.915 1.00 0.00 H new ATOM 0 HA2 GLY A 40 11.734 -4.445 11.773 1.00 0.00 H new ATOM 0 HA3 GLY A 40 11.539 -2.982 12.718 1.00 0.00 H new ATOM 622 N GLU A 41 8.731 -4.298 11.825 1.00 0.00 N ATOM 623 CA GLU A 41 7.457 -4.829 12.277 1.00 0.00 C ATOM 624 C GLU A 41 7.165 -6.125 11.540 1.00 0.00 C ATOM 625 O GLU A 41 7.747 -6.387 10.494 1.00 0.00 O ATOM 626 CB GLU A 41 6.343 -3.817 12.007 1.00 0.00 C ATOM 627 CG GLU A 41 6.563 -2.467 12.664 1.00 0.00 C ATOM 628 CD GLU A 41 5.539 -1.453 12.228 1.00 0.00 C ATOM 629 OE1 GLU A 41 4.483 -1.354 12.879 1.00 0.00 O ATOM 630 OE2 GLU A 41 5.793 -0.737 11.240 1.00 0.00 O ATOM 0 H GLU A 41 8.734 -4.011 10.846 1.00 0.00 H new ATOM 0 HA GLU A 41 7.505 -5.021 13.349 1.00 0.00 H new ATOM 0 HB2 GLU A 41 6.249 -3.675 10.930 1.00 0.00 H new ATOM 0 HB3 GLU A 41 5.398 -4.231 12.358 1.00 0.00 H new ATOM 0 HG2 GLU A 41 6.522 -2.580 13.747 1.00 0.00 H new ATOM 0 HG3 GLU A 41 7.561 -2.103 12.419 1.00 0.00 H new ATOM 637 N LYS A 42 6.292 -6.952 12.085 1.00 0.00 N ATOM 638 CA LYS A 42 5.907 -8.177 11.403 1.00 0.00 C ATOM 639 C LYS A 42 4.396 -8.311 11.362 1.00 0.00 C ATOM 640 O LYS A 42 3.790 -8.962 12.215 1.00 0.00 O ATOM 641 CB LYS A 42 6.548 -9.413 12.052 1.00 0.00 C ATOM 642 CG LYS A 42 8.049 -9.516 11.843 1.00 0.00 C ATOM 643 CD LYS A 42 8.613 -10.749 12.506 1.00 0.00 C ATOM 644 CE LYS A 42 10.112 -10.837 12.317 1.00 0.00 C ATOM 645 NZ LYS A 42 10.669 -12.054 12.951 1.00 0.00 N ATOM 0 H LYS A 42 5.840 -6.802 12.987 1.00 0.00 H new ATOM 0 HA LYS A 42 6.278 -8.117 10.380 1.00 0.00 H new ATOM 0 HB2 LYS A 42 6.341 -9.396 13.122 1.00 0.00 H new ATOM 0 HB3 LYS A 42 6.074 -10.308 11.650 1.00 0.00 H new ATOM 0 HG2 LYS A 42 8.268 -9.542 10.776 1.00 0.00 H new ATOM 0 HG3 LYS A 42 8.536 -8.629 12.247 1.00 0.00 H new ATOM 0 HD2 LYS A 42 8.379 -10.732 13.570 1.00 0.00 H new ATOM 0 HD3 LYS A 42 8.139 -11.638 12.090 1.00 0.00 H new ATOM 0 HE2 LYS A 42 10.346 -10.841 11.252 1.00 0.00 H new ATOM 0 HE3 LYS A 42 10.586 -9.953 12.744 1.00 0.00 H new ATOM 0 HZ1 LYS A 42 11.698 -12.083 12.803 1.00 0.00 H new ATOM 0 HZ2 LYS A 42 10.467 -12.038 13.971 1.00 0.00 H new ATOM 0 HZ3 LYS A 42 10.234 -12.897 12.525 1.00 0.00 H new ATOM 659 N LEU A 43 3.791 -7.648 10.387 1.00 0.00 N ATOM 660 CA LEU A 43 2.364 -7.774 10.148 1.00 0.00 C ATOM 661 C LEU A 43 2.090 -9.081 9.414 1.00 0.00 C ATOM 662 O LEU A 43 2.753 -9.394 8.421 1.00 0.00 O ATOM 663 CB LEU A 43 1.835 -6.586 9.331 1.00 0.00 C ATOM 664 CG LEU A 43 0.853 -5.659 10.054 1.00 0.00 C ATOM 665 CD1 LEU A 43 1.553 -4.845 11.128 1.00 0.00 C ATOM 666 CD2 LEU A 43 0.153 -4.744 9.061 1.00 0.00 C ATOM 0 H LEU A 43 4.270 -7.015 9.747 1.00 0.00 H new ATOM 0 HA LEU A 43 1.846 -7.777 11.107 1.00 0.00 H new ATOM 0 HB2 LEU A 43 2.686 -5.992 8.997 1.00 0.00 H new ATOM 0 HB3 LEU A 43 1.347 -6.974 8.437 1.00 0.00 H new ATOM 0 HG LEU A 43 0.103 -6.281 10.542 1.00 0.00 H new ATOM 0 HD11 LEU A 43 0.830 -4.197 11.623 1.00 0.00 H new ATOM 0 HD12 LEU A 43 1.999 -5.517 11.861 1.00 0.00 H new ATOM 0 HD13 LEU A 43 2.333 -4.236 10.672 1.00 0.00 H new ATOM 0 HD21 LEU A 43 -0.541 -4.093 9.593 1.00 0.00 H new ATOM 0 HD22 LEU A 43 0.894 -4.137 8.541 1.00 0.00 H new ATOM 0 HD23 LEU A 43 -0.397 -5.345 8.337 1.00 0.00 H new ATOM 678 N THR A 44 1.128 -9.843 9.921 1.00 0.00 N ATOM 679 CA THR A 44 0.755 -11.128 9.326 1.00 0.00 C ATOM 680 C THR A 44 -0.117 -10.913 8.089 1.00 0.00 C ATOM 681 O THR A 44 -0.541 -9.790 7.822 1.00 0.00 O ATOM 682 CB THR A 44 -0.015 -12.023 10.324 1.00 0.00 C ATOM 683 OG1 THR A 44 -1.192 -11.354 10.783 1.00 0.00 O ATOM 684 CG2 THR A 44 0.857 -12.413 11.512 1.00 0.00 C ATOM 0 H THR A 44 0.587 -9.594 10.749 1.00 0.00 H new ATOM 0 HA THR A 44 1.683 -11.629 9.049 1.00 0.00 H new ATOM 0 HB THR A 44 -0.300 -12.935 9.800 1.00 0.00 H new ATOM 0 HG1 THR A 44 -0.942 -10.648 11.415 1.00 0.00 H new ATOM 0 HG21 THR A 44 0.284 -13.042 12.193 1.00 0.00 H new ATOM 0 HG22 THR A 44 1.729 -12.962 11.158 1.00 0.00 H new ATOM 0 HG23 THR A 44 1.182 -11.514 12.035 1.00 0.00 H new ATOM 692 N ASP A 45 -0.409 -11.997 7.363 1.00 0.00 N ATOM 693 CA ASP A 45 -1.255 -11.930 6.156 1.00 0.00 C ATOM 694 C ASP A 45 -2.685 -11.493 6.465 1.00 0.00 C ATOM 695 O ASP A 45 -3.328 -10.883 5.623 1.00 0.00 O ATOM 696 CB ASP A 45 -1.290 -13.266 5.397 1.00 0.00 C ATOM 697 CG ASP A 45 -1.502 -14.481 6.281 1.00 0.00 C ATOM 698 OD1 ASP A 45 -2.649 -14.754 6.680 1.00 0.00 O ATOM 699 OD2 ASP A 45 -0.508 -15.160 6.580 1.00 0.00 O ATOM 0 H ASP A 45 -0.074 -12.934 7.586 1.00 0.00 H new ATOM 0 HA ASP A 45 -0.791 -11.174 5.523 1.00 0.00 H new ATOM 0 HB2 ASP A 45 -2.087 -13.228 4.655 1.00 0.00 H new ATOM 0 HB3 ASP A 45 -0.353 -13.386 4.853 1.00 0.00 H new ATOM 704 N GLU A 46 -3.156 -11.809 7.672 1.00 0.00 N ATOM 705 CA GLU A 46 -4.460 -11.360 8.165 1.00 0.00 C ATOM 706 C GLU A 46 -4.495 -9.845 8.363 1.00 0.00 C ATOM 707 O GLU A 46 -5.436 -9.183 7.933 1.00 0.00 O ATOM 708 CB GLU A 46 -4.792 -12.053 9.486 1.00 0.00 C ATOM 709 CG GLU A 46 -5.035 -13.544 9.353 1.00 0.00 C ATOM 710 CD GLU A 46 -5.177 -14.213 10.697 1.00 0.00 C ATOM 711 OE1 GLU A 46 -6.289 -14.219 11.250 1.00 0.00 O ATOM 712 OE2 GLU A 46 -4.166 -14.726 11.213 1.00 0.00 O ATOM 0 H GLU A 46 -2.642 -12.386 8.338 1.00 0.00 H new ATOM 0 HA GLU A 46 -5.204 -11.625 7.413 1.00 0.00 H new ATOM 0 HB2 GLU A 46 -3.973 -11.889 10.187 1.00 0.00 H new ATOM 0 HB3 GLU A 46 -5.678 -11.587 9.917 1.00 0.00 H new ATOM 0 HG2 GLU A 46 -5.938 -13.714 8.766 1.00 0.00 H new ATOM 0 HG3 GLU A 46 -4.209 -13.999 8.806 1.00 0.00 H new ATOM 719 N GLU A 47 -3.441 -9.314 8.984 1.00 0.00 N ATOM 720 CA GLU A 47 -3.346 -7.886 9.311 1.00 0.00 C ATOM 721 C GLU A 47 -3.129 -7.032 8.061 1.00 0.00 C ATOM 722 O GLU A 47 -3.741 -5.972 7.923 1.00 0.00 O ATOM 723 CB GLU A 47 -2.201 -7.651 10.297 1.00 0.00 C ATOM 724 CG GLU A 47 -2.408 -8.316 11.642 1.00 0.00 C ATOM 725 CD GLU A 47 -1.172 -8.258 12.510 1.00 0.00 C ATOM 726 OE1 GLU A 47 -0.338 -9.178 12.419 1.00 0.00 O ATOM 727 OE2 GLU A 47 -1.025 -7.293 13.279 1.00 0.00 O ATOM 0 H GLU A 47 -2.629 -9.858 9.275 1.00 0.00 H new ATOM 0 HA GLU A 47 -4.292 -7.588 9.764 1.00 0.00 H new ATOM 0 HB2 GLU A 47 -1.274 -8.020 9.858 1.00 0.00 H new ATOM 0 HB3 GLU A 47 -2.077 -6.579 10.447 1.00 0.00 H new ATOM 0 HG2 GLU A 47 -3.236 -7.832 12.160 1.00 0.00 H new ATOM 0 HG3 GLU A 47 -2.693 -9.357 11.490 1.00 0.00 H new ATOM 734 N VAL A 48 -2.276 -7.526 7.151 1.00 0.00 N ATOM 735 CA VAL A 48 -1.956 -6.839 5.894 1.00 0.00 C ATOM 736 C VAL A 48 -3.166 -6.831 4.950 1.00 0.00 C ATOM 737 O VAL A 48 -3.416 -5.829 4.294 1.00 0.00 O ATOM 738 CB VAL A 48 -0.717 -7.478 5.184 1.00 0.00 C ATOM 739 CG1 VAL A 48 -0.439 -6.840 3.837 1.00 0.00 C ATOM 740 CG2 VAL A 48 0.526 -7.347 6.039 1.00 0.00 C ATOM 0 H VAL A 48 -1.789 -8.414 7.268 1.00 0.00 H new ATOM 0 HA VAL A 48 -1.702 -5.809 6.145 1.00 0.00 H new ATOM 0 HB VAL A 48 -0.961 -8.530 5.035 1.00 0.00 H new ATOM 0 HG11 VAL A 48 0.430 -7.316 3.381 1.00 0.00 H new ATOM 0 HG12 VAL A 48 -1.305 -6.968 3.188 1.00 0.00 H new ATOM 0 HG13 VAL A 48 -0.241 -5.777 3.972 1.00 0.00 H new ATOM 0 HG21 VAL A 48 1.372 -7.799 5.522 1.00 0.00 H new ATOM 0 HG22 VAL A 48 0.733 -6.292 6.221 1.00 0.00 H new ATOM 0 HG23 VAL A 48 0.368 -7.855 6.990 1.00 0.00 H new ATOM 750 N ASP A 49 -3.930 -7.933 4.930 1.00 0.00 N ATOM 751 CA ASP A 49 -5.131 -8.061 4.085 1.00 0.00 C ATOM 752 C ASP A 49 -6.186 -7.009 4.422 1.00 0.00 C ATOM 753 O ASP A 49 -6.802 -6.442 3.524 1.00 0.00 O ATOM 754 CB ASP A 49 -5.736 -9.455 4.245 1.00 0.00 C ATOM 755 CG ASP A 49 -6.932 -9.682 3.351 1.00 0.00 C ATOM 756 OD1 ASP A 49 -6.752 -9.759 2.125 1.00 0.00 O ATOM 757 OD2 ASP A 49 -8.060 -9.770 3.871 1.00 0.00 O ATOM 0 H ASP A 49 -3.736 -8.759 5.496 1.00 0.00 H new ATOM 0 HA ASP A 49 -4.819 -7.904 3.053 1.00 0.00 H new ATOM 0 HB2 ASP A 49 -4.975 -10.203 4.023 1.00 0.00 H new ATOM 0 HB3 ASP A 49 -6.032 -9.600 5.284 1.00 0.00 H new ATOM 762 N GLU A 50 -6.353 -6.732 5.710 1.00 0.00 N ATOM 763 CA GLU A 50 -7.337 -5.757 6.174 1.00 0.00 C ATOM 764 C GLU A 50 -6.881 -4.318 5.908 1.00 0.00 C ATOM 765 O GLU A 50 -7.714 -3.430 5.736 1.00 0.00 O ATOM 766 CB GLU A 50 -7.619 -5.965 7.648 1.00 0.00 C ATOM 767 CG GLU A 50 -8.105 -7.363 7.962 1.00 0.00 C ATOM 768 CD GLU A 50 -8.387 -7.548 9.426 1.00 0.00 C ATOM 769 OE1 GLU A 50 -7.472 -7.329 10.238 1.00 0.00 O ATOM 770 OE2 GLU A 50 -9.525 -7.908 9.771 1.00 0.00 O ATOM 0 H GLU A 50 -5.816 -7.172 6.458 1.00 0.00 H new ATOM 0 HA GLU A 50 -8.256 -5.914 5.610 1.00 0.00 H new ATOM 0 HB2 GLU A 50 -6.712 -5.764 8.218 1.00 0.00 H new ATOM 0 HB3 GLU A 50 -8.368 -5.243 7.975 1.00 0.00 H new ATOM 0 HG2 GLU A 50 -9.010 -7.569 7.390 1.00 0.00 H new ATOM 0 HG3 GLU A 50 -7.355 -8.087 7.643 1.00 0.00 H new ATOM 777 N MET A 51 -5.559 -4.108 5.850 1.00 0.00 N ATOM 778 CA MET A 51 -4.983 -2.817 5.459 1.00 0.00 C ATOM 779 C MET A 51 -5.156 -2.585 3.957 1.00 0.00 C ATOM 780 O MET A 51 -5.467 -1.471 3.530 1.00 0.00 O ATOM 781 CB MET A 51 -3.492 -2.755 5.816 1.00 0.00 C ATOM 782 CG MET A 51 -3.208 -2.780 7.308 1.00 0.00 C ATOM 783 SD MET A 51 -3.880 -1.348 8.164 1.00 0.00 S ATOM 784 CE MET A 51 -3.376 -1.720 9.838 1.00 0.00 C ATOM 0 H MET A 51 -4.865 -4.822 6.071 1.00 0.00 H new ATOM 0 HA MET A 51 -5.511 -2.037 6.006 1.00 0.00 H new ATOM 0 HB2 MET A 51 -2.982 -3.596 5.346 1.00 0.00 H new ATOM 0 HB3 MET A 51 -3.066 -1.846 5.391 1.00 0.00 H new ATOM 0 HG2 MET A 51 -3.630 -3.688 7.739 1.00 0.00 H new ATOM 0 HG3 MET A 51 -2.131 -2.822 7.468 1.00 0.00 H new ATOM 0 HE1 MET A 51 -3.715 -0.927 10.505 1.00 0.00 H new ATOM 0 HE2 MET A 51 -3.816 -2.668 10.148 1.00 0.00 H new ATOM 0 HE3 MET A 51 -2.289 -1.793 9.883 1.00 0.00 H new ATOM 794 N ILE A 52 -4.969 -3.662 3.177 1.00 0.00 N ATOM 795 CA ILE A 52 -5.121 -3.640 1.717 1.00 0.00 C ATOM 796 C ILE A 52 -6.575 -3.377 1.323 1.00 0.00 C ATOM 797 O ILE A 52 -6.818 -2.506 0.516 1.00 0.00 O ATOM 798 CB ILE A 52 -4.600 -4.966 1.050 1.00 0.00 C ATOM 799 CG1 ILE A 52 -3.070 -5.090 1.192 1.00 0.00 C ATOM 800 CG2 ILE A 52 -5.001 -5.080 -0.428 1.00 0.00 C ATOM 801 CD1 ILE A 52 -2.272 -3.980 0.524 1.00 0.00 C ATOM 0 H ILE A 52 -4.707 -4.576 3.546 1.00 0.00 H new ATOM 0 HA ILE A 52 -4.505 -2.822 1.344 1.00 0.00 H new ATOM 0 HB ILE A 52 -5.078 -5.788 1.583 1.00 0.00 H new ATOM 0 HG12 ILE A 52 -2.819 -5.110 2.252 1.00 0.00 H new ATOM 0 HG13 ILE A 52 -2.757 -6.046 0.772 1.00 0.00 H new ATOM 0 HG21 ILE A 52 -4.616 -6.013 -0.839 1.00 0.00 H new ATOM 0 HG22 ILE A 52 -6.088 -5.068 -0.512 1.00 0.00 H new ATOM 0 HG23 ILE A 52 -4.585 -4.240 -0.984 1.00 0.00 H new ATOM 0 HD11 ILE A 52 -1.207 -4.154 0.678 1.00 0.00 H new ATOM 0 HD12 ILE A 52 -2.487 -3.970 -0.545 1.00 0.00 H new ATOM 0 HD13 ILE A 52 -2.549 -3.020 0.959 1.00 0.00 H new ATOM 813 N ARG A 53 -7.527 -4.085 1.950 1.00 0.00 N ATOM 814 CA ARG A 53 -8.951 -3.989 1.582 1.00 0.00 C ATOM 815 C ARG A 53 -9.577 -2.640 1.995 1.00 0.00 C ATOM 816 O ARG A 53 -10.599 -2.237 1.440 1.00 0.00 O ATOM 817 CB ARG A 53 -9.756 -5.166 2.181 1.00 0.00 C ATOM 818 CG ARG A 53 -9.918 -5.125 3.694 1.00 0.00 C ATOM 819 CD ARG A 53 -10.751 -6.279 4.215 1.00 0.00 C ATOM 820 NE ARG A 53 -11.026 -6.136 5.648 1.00 0.00 N ATOM 821 CZ ARG A 53 -12.030 -6.739 6.292 1.00 0.00 C ATOM 822 NH1 ARG A 53 -12.879 -7.526 5.640 1.00 0.00 N ATOM 823 NH2 ARG A 53 -12.191 -6.534 7.596 1.00 0.00 N ATOM 0 H ARG A 53 -7.337 -4.732 2.716 1.00 0.00 H new ATOM 0 HA ARG A 53 -8.999 -4.047 0.495 1.00 0.00 H new ATOM 0 HB2 ARG A 53 -10.746 -5.181 1.724 1.00 0.00 H new ATOM 0 HB3 ARG A 53 -9.265 -6.100 1.908 1.00 0.00 H new ATOM 0 HG2 ARG A 53 -8.934 -5.149 4.163 1.00 0.00 H new ATOM 0 HG3 ARG A 53 -10.386 -4.183 3.982 1.00 0.00 H new ATOM 0 HD2 ARG A 53 -11.691 -6.328 3.666 1.00 0.00 H new ATOM 0 HD3 ARG A 53 -10.227 -7.218 4.035 1.00 0.00 H new ATOM 0 HE ARG A 53 -10.408 -5.534 6.192 1.00 0.00 H new ATOM 0 HH11 ARG A 53 -12.768 -7.675 4.637 1.00 0.00 H new ATOM 0 HH12 ARG A 53 -13.641 -7.981 6.142 1.00 0.00 H new ATOM 0 HH21 ARG A 53 -11.550 -5.920 8.099 1.00 0.00 H new ATOM 0 HH22 ARG A 53 -12.955 -6.991 8.094 1.00 0.00 H new ATOM 837 N GLU A 54 -8.969 -1.958 2.971 1.00 0.00 N ATOM 838 CA GLU A 54 -9.467 -0.671 3.433 1.00 0.00 C ATOM 839 C GLU A 54 -8.887 0.464 2.578 1.00 0.00 C ATOM 840 O GLU A 54 -9.534 1.486 2.362 1.00 0.00 O ATOM 841 CB GLU A 54 -9.133 -0.479 4.915 1.00 0.00 C ATOM 842 CG GLU A 54 -9.812 0.722 5.548 1.00 0.00 C ATOM 843 CD GLU A 54 -9.557 0.807 7.030 1.00 0.00 C ATOM 844 OE1 GLU A 54 -8.511 1.352 7.428 1.00 0.00 O ATOM 845 OE2 GLU A 54 -10.405 0.326 7.802 1.00 0.00 O ATOM 0 H GLU A 54 -8.130 -2.282 3.453 1.00 0.00 H new ATOM 0 HA GLU A 54 -10.551 -0.648 3.325 1.00 0.00 H new ATOM 0 HB2 GLU A 54 -9.421 -1.377 5.462 1.00 0.00 H new ATOM 0 HB3 GLU A 54 -8.054 -0.373 5.023 1.00 0.00 H new ATOM 0 HG2 GLU A 54 -9.456 1.633 5.067 1.00 0.00 H new ATOM 0 HG3 GLU A 54 -10.886 0.666 5.369 1.00 0.00 H new ATOM 852 N ALA A 55 -7.675 0.253 2.065 1.00 0.00 N ATOM 853 CA ALA A 55 -7.027 1.220 1.184 1.00 0.00 C ATOM 854 C ALA A 55 -7.476 1.050 -0.270 1.00 0.00 C ATOM 855 O ALA A 55 -7.373 1.978 -1.072 1.00 0.00 O ATOM 856 CB ALA A 55 -5.516 1.092 1.290 1.00 0.00 C ATOM 0 H ALA A 55 -7.121 -0.584 2.247 1.00 0.00 H new ATOM 0 HA ALA A 55 -7.326 2.218 1.505 1.00 0.00 H new ATOM 0 HB1 ALA A 55 -5.042 1.818 0.629 1.00 0.00 H new ATOM 0 HB2 ALA A 55 -5.206 1.281 2.318 1.00 0.00 H new ATOM 0 HB3 ALA A 55 -5.215 0.086 0.999 1.00 0.00 H new ATOM 862 N ASP A 56 -7.983 -0.137 -0.589 1.00 0.00 N ATOM 863 CA ASP A 56 -8.403 -0.465 -1.937 1.00 0.00 C ATOM 864 C ASP A 56 -9.865 -0.114 -2.142 1.00 0.00 C ATOM 865 O ASP A 56 -10.764 -0.688 -1.518 1.00 0.00 O ATOM 866 CB ASP A 56 -8.167 -1.942 -2.240 1.00 0.00 C ATOM 867 CG ASP A 56 -7.830 -2.162 -3.692 1.00 0.00 C ATOM 868 OD1 ASP A 56 -6.673 -2.003 -4.059 1.00 0.00 O ATOM 869 OD2 ASP A 56 -8.719 -2.461 -4.481 1.00 0.00 O ATOM 0 H ASP A 56 -8.112 -0.894 0.082 1.00 0.00 H new ATOM 0 HA ASP A 56 -7.802 0.126 -2.628 1.00 0.00 H new ATOM 0 HB2 ASP A 56 -7.355 -2.317 -1.616 1.00 0.00 H new ATOM 0 HB3 ASP A 56 -9.058 -2.514 -1.982 1.00 0.00 H new ATOM 874 N ILE A 57 -10.074 0.844 -3.022 1.00 0.00 N ATOM 875 CA ILE A 57 -11.385 1.387 -3.321 1.00 0.00 C ATOM 876 C ILE A 57 -12.156 0.462 -4.278 1.00 0.00 C ATOM 877 O ILE A 57 -13.347 0.217 -4.087 1.00 0.00 O ATOM 878 CB ILE A 57 -11.244 2.808 -3.947 1.00 0.00 C ATOM 879 CG1 ILE A 57 -10.372 3.709 -3.054 1.00 0.00 C ATOM 880 CG2 ILE A 57 -12.613 3.453 -4.153 1.00 0.00 C ATOM 881 CD1 ILE A 57 -9.993 5.024 -3.702 1.00 0.00 C ATOM 0 H ILE A 57 -9.323 1.276 -3.560 1.00 0.00 H new ATOM 0 HA ILE A 57 -11.947 1.460 -2.390 1.00 0.00 H new ATOM 0 HB ILE A 57 -10.762 2.698 -4.918 1.00 0.00 H new ATOM 0 HG12 ILE A 57 -10.906 3.912 -2.126 1.00 0.00 H new ATOM 0 HG13 ILE A 57 -9.463 3.170 -2.787 1.00 0.00 H new ATOM 0 HG21 ILE A 57 -12.487 4.443 -4.591 1.00 0.00 H new ATOM 0 HG22 ILE A 57 -13.210 2.834 -4.823 1.00 0.00 H new ATOM 0 HG23 ILE A 57 -13.121 3.543 -3.193 1.00 0.00 H new ATOM 0 HD11 ILE A 57 -9.379 5.605 -3.014 1.00 0.00 H new ATOM 0 HD12 ILE A 57 -9.430 4.831 -4.615 1.00 0.00 H new ATOM 0 HD13 ILE A 57 -10.896 5.584 -3.944 1.00 0.00 H new ATOM 893 N ASP A 58 -11.465 -0.073 -5.282 1.00 0.00 N ATOM 894 CA ASP A 58 -12.133 -0.815 -6.358 1.00 0.00 C ATOM 895 C ASP A 58 -12.231 -2.334 -6.086 1.00 0.00 C ATOM 896 O ASP A 58 -12.969 -3.038 -6.783 1.00 0.00 O ATOM 897 CB ASP A 58 -11.392 -0.556 -7.696 1.00 0.00 C ATOM 898 CG ASP A 58 -9.899 -0.850 -7.640 1.00 0.00 C ATOM 899 OD1 ASP A 58 -9.525 -1.898 -7.153 1.00 0.00 O ATOM 900 OD2 ASP A 58 -9.083 -0.023 -8.065 1.00 0.00 O ATOM 0 H ASP A 58 -10.451 -0.010 -5.376 1.00 0.00 H new ATOM 0 HA ASP A 58 -13.158 -0.449 -6.413 1.00 0.00 H new ATOM 0 HB2 ASP A 58 -11.844 -1.169 -8.475 1.00 0.00 H new ATOM 0 HB3 ASP A 58 -11.537 0.485 -7.985 1.00 0.00 H new ATOM 905 N GLY A 59 -11.517 -2.812 -5.060 1.00 0.00 N ATOM 906 CA GLY A 59 -11.515 -4.228 -4.685 1.00 0.00 C ATOM 907 C GLY A 59 -10.797 -5.158 -5.672 1.00 0.00 C ATOM 908 O GLY A 59 -11.363 -6.177 -6.071 1.00 0.00 O ATOM 0 H GLY A 59 -10.926 -2.228 -4.468 1.00 0.00 H new ATOM 0 HA2 GLY A 59 -11.045 -4.329 -3.707 1.00 0.00 H new ATOM 0 HA3 GLY A 59 -12.547 -4.562 -4.579 1.00 0.00 H new ATOM 912 N ASP A 60 -9.558 -4.818 -6.070 1.00 0.00 N ATOM 913 CA ASP A 60 -8.768 -5.693 -6.972 1.00 0.00 C ATOM 914 C ASP A 60 -7.601 -6.371 -6.238 1.00 0.00 C ATOM 915 O ASP A 60 -7.040 -7.353 -6.727 1.00 0.00 O ATOM 916 CB ASP A 60 -8.229 -4.927 -8.220 1.00 0.00 C ATOM 917 CG ASP A 60 -7.376 -3.690 -7.905 1.00 0.00 C ATOM 918 OD1 ASP A 60 -6.931 -3.538 -6.789 1.00 0.00 O ATOM 919 OD2 ASP A 60 -7.204 -2.815 -8.759 1.00 0.00 O ATOM 0 H ASP A 60 -9.083 -3.960 -5.790 1.00 0.00 H new ATOM 0 HA ASP A 60 -9.458 -6.463 -7.316 1.00 0.00 H new ATOM 0 HB2 ASP A 60 -7.635 -5.615 -8.821 1.00 0.00 H new ATOM 0 HB3 ASP A 60 -9.077 -4.619 -8.832 1.00 0.00 H new ATOM 924 N GLY A 61 -7.258 -5.861 -5.053 1.00 0.00 N ATOM 925 CA GLY A 61 -6.140 -6.403 -4.299 1.00 0.00 C ATOM 926 C GLY A 61 -4.838 -5.612 -4.463 1.00 0.00 C ATOM 927 O GLY A 61 -3.883 -5.839 -3.719 1.00 0.00 O ATOM 0 H GLY A 61 -7.737 -5.081 -4.603 1.00 0.00 H new ATOM 0 HA2 GLY A 61 -6.406 -6.430 -3.242 1.00 0.00 H new ATOM 0 HA3 GLY A 61 -5.969 -7.433 -4.611 1.00 0.00 H new ATOM 931 N GLN A 62 -4.775 -4.709 -5.444 1.00 0.00 N ATOM 932 CA GLN A 62 -3.591 -3.873 -5.637 1.00 0.00 C ATOM 933 C GLN A 62 -3.968 -2.414 -5.494 1.00 0.00 C ATOM 934 O GLN A 62 -4.850 -1.904 -6.188 1.00 0.00 O ATOM 935 CB GLN A 62 -2.970 -4.020 -7.019 1.00 0.00 C ATOM 936 CG GLN A 62 -2.786 -5.436 -7.524 1.00 0.00 C ATOM 937 CD GLN A 62 -2.279 -5.469 -8.955 1.00 0.00 C ATOM 938 OE1 GLN A 62 -1.076 -5.472 -9.197 1.00 0.00 O ATOM 939 NE2 GLN A 62 -3.191 -5.495 -9.915 1.00 0.00 N ATOM 0 H GLN A 62 -5.526 -4.539 -6.113 1.00 0.00 H new ATOM 0 HA GLN A 62 -2.873 -4.199 -4.885 1.00 0.00 H new ATOM 0 HB2 GLN A 62 -3.592 -3.480 -7.733 1.00 0.00 H new ATOM 0 HB3 GLN A 62 -1.996 -3.530 -7.011 1.00 0.00 H new ATOM 0 HG2 GLN A 62 -2.083 -5.963 -6.878 1.00 0.00 H new ATOM 0 HG3 GLN A 62 -3.735 -5.969 -7.463 1.00 0.00 H new ATOM 0 HE21 GLN A 62 -4.183 -5.492 -9.677 1.00 0.00 H new ATOM 0 HE22 GLN A 62 -2.902 -5.518 -10.893 1.00 0.00 H new ATOM 948 N VAL A 63 -3.191 -1.740 -4.705 1.00 0.00 N ATOM 949 CA VAL A 63 -3.480 -0.391 -4.291 1.00 0.00 C ATOM 950 C VAL A 63 -2.723 0.546 -5.206 1.00 0.00 C ATOM 951 O VAL A 63 -1.494 0.613 -5.164 1.00 0.00 O ATOM 952 CB VAL A 63 -3.089 -0.162 -2.796 1.00 0.00 C ATOM 953 CG1 VAL A 63 -3.440 1.244 -2.337 1.00 0.00 C ATOM 954 CG2 VAL A 63 -3.767 -1.185 -1.889 1.00 0.00 C ATOM 0 H VAL A 63 -2.323 -2.112 -4.321 1.00 0.00 H new ATOM 0 HA VAL A 63 -4.551 -0.199 -4.364 1.00 0.00 H new ATOM 0 HB VAL A 63 -2.009 -0.288 -2.725 1.00 0.00 H new ATOM 0 HG11 VAL A 63 -3.154 1.368 -1.292 1.00 0.00 H new ATOM 0 HG12 VAL A 63 -2.905 1.971 -2.948 1.00 0.00 H new ATOM 0 HG13 VAL A 63 -4.513 1.403 -2.441 1.00 0.00 H new ATOM 0 HG21 VAL A 63 -3.477 -1.002 -0.854 1.00 0.00 H new ATOM 0 HG22 VAL A 63 -4.849 -1.095 -1.984 1.00 0.00 H new ATOM 0 HG23 VAL A 63 -3.460 -2.189 -2.180 1.00 0.00 H new ATOM 964 N ASN A 64 -3.467 1.236 -6.060 1.00 0.00 N ATOM 965 CA ASN A 64 -2.879 2.142 -7.040 1.00 0.00 C ATOM 966 C ASN A 64 -2.432 3.428 -6.340 1.00 0.00 C ATOM 967 O ASN A 64 -2.537 3.555 -5.112 1.00 0.00 O ATOM 968 CB ASN A 64 -3.864 2.546 -8.161 1.00 0.00 C ATOM 969 CG ASN A 64 -4.976 1.566 -8.523 1.00 0.00 C ATOM 970 OD1 ASN A 64 -4.847 0.350 -8.436 1.00 0.00 O ATOM 971 ND2 ASN A 64 -6.102 2.119 -8.933 1.00 0.00 N ATOM 0 H ASN A 64 -4.485 1.185 -6.094 1.00 0.00 H new ATOM 0 HA ASN A 64 -2.044 1.606 -7.491 1.00 0.00 H new ATOM 0 HB2 ASN A 64 -4.330 3.488 -7.873 1.00 0.00 H new ATOM 0 HB3 ASN A 64 -3.283 2.740 -9.063 1.00 0.00 H new ATOM 0 HD21 ASN A 64 -6.896 1.531 -9.188 1.00 0.00 H new ATOM 0 HD22 ASN A 64 -6.179 3.134 -8.995 1.00 0.00 H new ATOM 978 N TYR A 65 -1.971 4.395 -7.132 1.00 0.00 N ATOM 979 CA TYR A 65 -1.571 5.698 -6.615 1.00 0.00 C ATOM 980 C TYR A 65 -2.760 6.418 -5.964 1.00 0.00 C ATOM 981 O TYR A 65 -2.671 6.834 -4.813 1.00 0.00 O ATOM 982 CB TYR A 65 -0.956 6.538 -7.747 1.00 0.00 C ATOM 983 CG TYR A 65 -0.802 7.998 -7.409 1.00 0.00 C ATOM 984 CD1 TYR A 65 0.139 8.424 -6.480 1.00 0.00 C ATOM 985 CD2 TYR A 65 -1.626 8.945 -7.999 1.00 0.00 C ATOM 986 CE1 TYR A 65 0.255 9.755 -6.157 1.00 0.00 C ATOM 987 CE2 TYR A 65 -1.511 10.279 -7.684 1.00 0.00 C ATOM 988 CZ TYR A 65 -0.573 10.683 -6.760 1.00 0.00 C ATOM 989 OH TYR A 65 -0.464 12.016 -6.442 1.00 0.00 O ATOM 0 H TYR A 65 -1.866 4.297 -8.142 1.00 0.00 H new ATOM 0 HA TYR A 65 -0.817 5.557 -5.841 1.00 0.00 H new ATOM 0 HB2 TYR A 65 0.022 6.129 -8.000 1.00 0.00 H new ATOM 0 HB3 TYR A 65 -1.580 6.445 -8.636 1.00 0.00 H new ATOM 0 HD1 TYR A 65 0.787 7.701 -6.006 1.00 0.00 H new ATOM 0 HD2 TYR A 65 -2.369 8.630 -8.717 1.00 0.00 H new ATOM 0 HE1 TYR A 65 0.991 10.075 -5.434 1.00 0.00 H new ATOM 0 HE2 TYR A 65 -2.153 11.006 -8.159 1.00 0.00 H new ATOM 0 HH TYR A 65 -0.170 12.107 -5.512 1.00 0.00 H new ATOM 999 N GLU A 66 -3.866 6.504 -6.706 1.00 0.00 N ATOM 1000 CA GLU A 66 -5.102 7.170 -6.267 1.00 0.00 C ATOM 1001 C GLU A 66 -5.718 6.517 -5.026 1.00 0.00 C ATOM 1002 O GLU A 66 -6.223 7.216 -4.148 1.00 0.00 O ATOM 1003 CB GLU A 66 -6.127 7.186 -7.413 1.00 0.00 C ATOM 1004 CG GLU A 66 -6.249 5.862 -8.164 1.00 0.00 C ATOM 1005 CD GLU A 66 -5.546 5.893 -9.501 1.00 0.00 C ATOM 1006 OE1 GLU A 66 -4.321 5.666 -9.537 1.00 0.00 O ATOM 1007 OE2 GLU A 66 -6.210 6.152 -10.517 1.00 0.00 O ATOM 0 H GLU A 66 -3.933 6.108 -7.644 1.00 0.00 H new ATOM 0 HA GLU A 66 -4.834 8.190 -5.993 1.00 0.00 H new ATOM 0 HB2 GLU A 66 -7.103 7.452 -7.008 1.00 0.00 H new ATOM 0 HB3 GLU A 66 -5.851 7.968 -8.121 1.00 0.00 H new ATOM 0 HG2 GLU A 66 -5.830 5.061 -7.554 1.00 0.00 H new ATOM 0 HG3 GLU A 66 -7.303 5.629 -8.316 1.00 0.00 H new ATOM 1014 N GLU A 67 -5.629 5.186 -4.955 1.00 0.00 N ATOM 1015 CA GLU A 67 -6.185 4.408 -3.850 1.00 0.00 C ATOM 1016 C GLU A 67 -5.397 4.616 -2.558 1.00 0.00 C ATOM 1017 O GLU A 67 -5.981 4.705 -1.473 1.00 0.00 O ATOM 1018 CB GLU A 67 -6.209 2.936 -4.237 1.00 0.00 C ATOM 1019 CG GLU A 67 -7.305 2.593 -5.218 1.00 0.00 C ATOM 1020 CD GLU A 67 -7.380 1.121 -5.500 1.00 0.00 C ATOM 1021 OE1 GLU A 67 -6.389 0.536 -5.938 1.00 0.00 O ATOM 1022 OE2 GLU A 67 -8.440 0.531 -5.299 1.00 0.00 O ATOM 0 H GLU A 67 -5.167 4.618 -5.666 1.00 0.00 H new ATOM 0 HA GLU A 67 -7.202 4.753 -3.660 1.00 0.00 H new ATOM 0 HB2 GLU A 67 -5.246 2.666 -4.670 1.00 0.00 H new ATOM 0 HB3 GLU A 67 -6.334 2.333 -3.338 1.00 0.00 H new ATOM 0 HG2 GLU A 67 -8.262 2.934 -4.823 1.00 0.00 H new ATOM 0 HG3 GLU A 67 -7.135 3.131 -6.151 1.00 0.00 H new ATOM 1029 N PHE A 68 -4.071 4.736 -2.697 1.00 0.00 N ATOM 1030 CA PHE A 68 -3.185 5.004 -1.573 1.00 0.00 C ATOM 1031 C PHE A 68 -3.396 6.423 -1.048 1.00 0.00 C ATOM 1032 O PHE A 68 -3.411 6.630 0.161 1.00 0.00 O ATOM 1033 CB PHE A 68 -1.724 4.793 -1.995 1.00 0.00 C ATOM 1034 CG PHE A 68 -0.721 4.944 -0.881 1.00 0.00 C ATOM 1035 CD1 PHE A 68 -0.579 3.958 0.079 1.00 0.00 C ATOM 1036 CD2 PHE A 68 0.080 6.071 -0.801 1.00 0.00 C ATOM 1037 CE1 PHE A 68 0.343 4.093 1.096 1.00 0.00 C ATOM 1038 CE2 PHE A 68 1.000 6.211 0.215 1.00 0.00 C ATOM 1039 CZ PHE A 68 1.133 5.223 1.164 1.00 0.00 C ATOM 0 H PHE A 68 -3.590 4.649 -3.592 1.00 0.00 H new ATOM 0 HA PHE A 68 -3.420 4.308 -0.768 1.00 0.00 H new ATOM 0 HB2 PHE A 68 -1.624 3.796 -2.424 1.00 0.00 H new ATOM 0 HB3 PHE A 68 -1.481 5.505 -2.784 1.00 0.00 H new ATOM 0 HD1 PHE A 68 -1.197 3.073 0.032 1.00 0.00 H new ATOM 0 HD2 PHE A 68 -0.018 6.849 -1.544 1.00 0.00 H new ATOM 0 HE1 PHE A 68 0.447 3.315 1.838 1.00 0.00 H new ATOM 0 HE2 PHE A 68 1.617 7.096 0.267 1.00 0.00 H new ATOM 0 HZ PHE A 68 1.854 5.332 1.961 1.00 0.00 H new ATOM 1049 N VAL A 69 -3.618 7.371 -1.971 1.00 0.00 N ATOM 1050 CA VAL A 69 -3.797 8.789 -1.639 1.00 0.00 C ATOM 1051 C VAL A 69 -5.056 9.005 -0.801 1.00 0.00 C ATOM 1052 O VAL A 69 -5.020 9.761 0.154 1.00 0.00 O ATOM 1053 CB VAL A 69 -3.809 9.688 -2.925 1.00 0.00 C ATOM 1054 CG1 VAL A 69 -4.278 11.119 -2.653 1.00 0.00 C ATOM 1055 CG2 VAL A 69 -2.421 9.738 -3.528 1.00 0.00 C ATOM 0 H VAL A 69 -3.678 7.174 -2.970 1.00 0.00 H new ATOM 0 HA VAL A 69 -2.940 9.093 -1.038 1.00 0.00 H new ATOM 0 HB VAL A 69 -4.520 9.233 -3.615 1.00 0.00 H new ATOM 0 HG11 VAL A 69 -4.264 11.689 -3.582 1.00 0.00 H new ATOM 0 HG12 VAL A 69 -5.292 11.100 -2.255 1.00 0.00 H new ATOM 0 HG13 VAL A 69 -3.612 11.589 -1.929 1.00 0.00 H new ATOM 0 HG21 VAL A 69 -2.434 10.363 -4.421 1.00 0.00 H new ATOM 0 HG22 VAL A 69 -1.724 10.157 -2.802 1.00 0.00 H new ATOM 0 HG23 VAL A 69 -2.104 8.730 -3.796 1.00 0.00 H new ATOM 1065 N GLN A 70 -6.134 8.282 -1.115 1.00 0.00 N ATOM 1066 CA GLN A 70 -7.407 8.437 -0.403 1.00 0.00 C ATOM 1067 C GLN A 70 -7.333 7.915 1.034 1.00 0.00 C ATOM 1068 O GLN A 70 -7.975 8.461 1.927 1.00 0.00 O ATOM 1069 CB GLN A 70 -8.532 7.729 -1.160 1.00 0.00 C ATOM 1070 CG GLN A 70 -8.806 8.301 -2.548 1.00 0.00 C ATOM 1071 CD GLN A 70 -9.119 9.790 -2.571 1.00 0.00 C ATOM 1072 OE1 GLN A 70 -9.684 10.353 -1.628 1.00 0.00 O ATOM 1073 NE2 GLN A 70 -8.748 10.437 -3.660 1.00 0.00 N ATOM 0 H GLN A 70 -6.152 7.583 -1.858 1.00 0.00 H new ATOM 0 HA GLN A 70 -7.619 9.505 -0.354 1.00 0.00 H new ATOM 0 HB2 GLN A 70 -8.281 6.673 -1.257 1.00 0.00 H new ATOM 0 HB3 GLN A 70 -9.446 7.786 -0.568 1.00 0.00 H new ATOM 0 HG2 GLN A 70 -7.938 8.116 -3.180 1.00 0.00 H new ATOM 0 HG3 GLN A 70 -9.643 7.761 -2.990 1.00 0.00 H new ATOM 0 HE21 GLN A 70 -8.284 9.936 -4.417 1.00 0.00 H new ATOM 0 HE22 GLN A 70 -8.926 11.438 -3.744 1.00 0.00 H new ATOM 1082 N HIS A 71 -6.502 6.891 1.253 1.00 0.00 N ATOM 1083 CA HIS A 71 -6.296 6.324 2.587 1.00 0.00 C ATOM 1084 C HIS A 71 -5.301 7.184 3.401 1.00 0.00 C ATOM 1085 O HIS A 71 -5.264 7.107 4.626 1.00 0.00 O ATOM 1086 CB HIS A 71 -5.795 4.865 2.445 1.00 0.00 C ATOM 1087 CG HIS A 71 -5.753 4.074 3.731 1.00 0.00 C ATOM 1088 ND1 HIS A 71 -4.713 3.741 4.537 1.00 0.00 N flip ATOM 1089 CD2 HIS A 71 -6.873 3.533 4.320 1.00 0.00 C flip ATOM 1090 CE1 HIS A 71 -5.222 3.015 5.587 1.00 0.00 C flip ATOM 1091 NE2 HIS A 71 -6.526 2.906 5.429 1.00 0.00 N flip ATOM 0 H HIS A 71 -5.959 6.437 0.519 1.00 0.00 H new ATOM 0 HA HIS A 71 -7.240 6.322 3.132 1.00 0.00 H new ATOM 0 HB2 HIS A 71 -6.439 4.344 1.737 1.00 0.00 H new ATOM 0 HB3 HIS A 71 -4.794 4.881 2.014 1.00 0.00 H new ATOM 0 HD2 HIS A 71 -7.879 3.609 3.935 1.00 0.00 H new ATOM 0 HE1 HIS A 71 -4.649 2.603 6.405 1.00 0.00 H new ATOM 0 HE2 HIS A 71 -7.162 2.418 6.059 1.00 0.00 H new ATOM 1100 N MET A 72 -4.500 7.992 2.719 1.00 0.00 N ATOM 1101 CA MET A 72 -3.502 8.830 3.381 1.00 0.00 C ATOM 1102 C MET A 72 -4.038 10.225 3.710 1.00 0.00 C ATOM 1103 O MET A 72 -3.663 10.806 4.731 1.00 0.00 O ATOM 1104 CB MET A 72 -2.256 8.936 2.514 1.00 0.00 C ATOM 1105 CG MET A 72 -1.468 7.644 2.425 1.00 0.00 C ATOM 1106 SD MET A 72 -0.680 7.168 3.972 1.00 0.00 S ATOM 1107 CE MET A 72 0.686 8.326 4.016 1.00 0.00 C ATOM 0 H MET A 72 -4.520 8.087 1.704 1.00 0.00 H new ATOM 0 HA MET A 72 -3.251 8.352 4.328 1.00 0.00 H new ATOM 0 HB2 MET A 72 -2.547 9.244 1.510 1.00 0.00 H new ATOM 0 HB3 MET A 72 -1.611 9.719 2.913 1.00 0.00 H new ATOM 0 HG2 MET A 72 -2.135 6.843 2.106 1.00 0.00 H new ATOM 0 HG3 MET A 72 -0.703 7.748 1.655 1.00 0.00 H new ATOM 0 HE1 MET A 72 1.575 7.826 4.400 1.00 0.00 H new ATOM 0 HE2 MET A 72 0.884 8.694 3.009 1.00 0.00 H new ATOM 0 HE3 MET A 72 0.432 9.164 4.665 1.00 0.00 H new ATOM 1117 N THR A 73 -4.911 10.752 2.853 1.00 0.00 N ATOM 1118 CA THR A 73 -5.471 12.090 3.044 1.00 0.00 C ATOM 1119 C THR A 73 -6.678 12.059 3.982 1.00 0.00 C ATOM 1120 O THR A 73 -6.882 12.987 4.764 1.00 0.00 O ATOM 1121 CB THR A 73 -5.865 12.752 1.700 1.00 0.00 C ATOM 1122 OG1 THR A 73 -6.730 11.890 0.948 1.00 0.00 O ATOM 1123 CG2 THR A 73 -4.630 13.091 0.871 1.00 0.00 C ATOM 0 H THR A 73 -5.247 10.272 2.018 1.00 0.00 H new ATOM 0 HA THR A 73 -4.686 12.693 3.501 1.00 0.00 H new ATOM 0 HB THR A 73 -6.394 13.677 1.930 1.00 0.00 H new ATOM 0 HG1 THR A 73 -6.206 11.159 0.560 1.00 0.00 H new ATOM 0 HG21 THR A 73 -4.937 13.554 -0.067 1.00 0.00 H new ATOM 0 HG22 THR A 73 -3.997 13.782 1.427 1.00 0.00 H new ATOM 0 HG23 THR A 73 -4.072 12.179 0.659 1.00 0.00 H new