USER MOD reduce.3.24.130724 H: found=0, std=0, add=491, rem=0, adj=21 USER MOD reduce.3.24.130724 removed 490 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 27 HIS : no HD1:sc= -1.52 K(o=-7.3,f=-14!) USER MOD Set 1.2: A 31 HIS : no HD1:sc= -5.81! C(o=-7.3!,f=-8.5!) USER MOD Single : A 12 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 13 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Single : A 14 SER OG : rot 180:sc= -0.467 USER MOD Single : A 15 SER OG : rot 180:sc= 0 USER MOD Single : A 16 TYR OH : rot 180:sc= 0 USER MOD Single : A 21 GLN :FLIP amide:sc= -1.82 F(o=-2.8,f=-1.8) USER MOD Single : A 22 THR OG1 : rot 111:sc= 1.28 USER MOD Single : A 23 SER OG : rot 82:sc= 1.26 USER MOD Single : A 28 LYS NZ :NH3+ 167:sc= -0.806 (180deg=-1.1) USER MOD Single : A 29 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 30 LYS NZ :NH3+ 172:sc= 0.00473 (180deg=-0.0316) USER MOD Single : A 34 SER OG : rot 180:sc= 0 USER MOD Single : A 35 SER OG : rot 180:sc= -0.0403 USER MOD Single : A 37 ASN :FLIP amide:sc= -0.82 F(o=-2.4,f=-0.82) USER MOD Single : A 42 SER OG : rot 180:sc= -1.45 USER MOD Single : A 43 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 44 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 45 CYS SG : rot 136:sc= -0.218 USER MOD Single : A 46 SER OG : rot 180:sc= -0.282 USER MOD Single : A 50 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 51 THR OG1 : rot -135:sc= -0.362 USER MOD Single : A 52 MET CE :methyl -148:sc= -2.35 (180deg=-3.11!) USER MOD Single : A 53 SER OG : rot 180:sc= 0 USER MOD Single : A 55 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 57 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 58 SER OG : rot -105:sc= 0.51 USER MOD Single : A 59 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 63 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Single : A 65 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 66 SER OG : rot 180:sc= 0 USER MOD Single : A 68 LYS NZ :NH3+ -121:sc= -0.0075 (180deg=-0.325) USER MOD Single : A 71 TYR OH : rot 180:sc= 0 USER MOD ----------------------------------------------------------------- ATOM 163 N LYS A 12 -14.465 11.003 -3.174 1.00 0.00 N ATOM 164 CA LYS A 12 -13.662 9.960 -3.899 1.00 0.00 C ATOM 165 C LYS A 12 -14.479 8.675 -4.079 1.00 0.00 C ATOM 166 O LYS A 12 -15.687 8.674 -3.934 1.00 0.00 O ATOM 167 CB LYS A 12 -12.435 9.698 -3.015 1.00 0.00 C ATOM 168 CG LYS A 12 -11.661 11.002 -2.804 1.00 0.00 C ATOM 169 CD LYS A 12 -10.436 10.735 -1.927 1.00 0.00 C ATOM 170 CE LYS A 12 -10.066 12.010 -1.164 1.00 0.00 C ATOM 171 NZ LYS A 12 -10.906 11.977 0.066 1.00 0.00 N ATOM 0 HA LYS A 12 -13.378 10.294 -4.897 1.00 0.00 H new ATOM 0 HB2 LYS A 12 -12.748 9.290 -2.054 1.00 0.00 H new ATOM 0 HB3 LYS A 12 -11.791 8.953 -3.482 1.00 0.00 H new ATOM 0 HG2 LYS A 12 -11.350 11.412 -3.765 1.00 0.00 H new ATOM 0 HG3 LYS A 12 -12.303 11.746 -2.333 1.00 0.00 H new ATOM 0 HD2 LYS A 12 -10.647 9.927 -1.226 1.00 0.00 H new ATOM 0 HD3 LYS A 12 -9.598 10.411 -2.544 1.00 0.00 H new ATOM 0 HE2 LYS A 12 -9.004 12.029 -0.917 1.00 0.00 H new ATOM 0 HE3 LYS A 12 -10.271 12.900 -1.759 1.00 0.00 H new ATOM 0 HZ1 LYS A 12 -10.710 12.820 0.643 1.00 0.00 H new ATOM 0 HZ2 LYS A 12 -11.911 11.966 -0.200 1.00 0.00 H new ATOM 0 HZ3 LYS A 12 -10.684 11.122 0.615 1.00 0.00 H new ATOM 185 N MET A 13 -13.826 7.585 -4.393 1.00 0.00 N ATOM 186 CA MET A 13 -14.556 6.296 -4.583 1.00 0.00 C ATOM 187 C MET A 13 -13.820 5.163 -3.864 1.00 0.00 C ATOM 188 O MET A 13 -12.660 4.903 -4.123 1.00 0.00 O ATOM 189 CB MET A 13 -14.559 6.061 -6.094 1.00 0.00 C ATOM 190 CG MET A 13 -15.577 6.993 -6.752 1.00 0.00 C ATOM 191 SD MET A 13 -16.015 6.351 -8.388 1.00 0.00 S ATOM 192 CE MET A 13 -17.342 5.245 -7.849 1.00 0.00 C ATOM 0 H MET A 13 -12.816 7.533 -4.526 1.00 0.00 H new ATOM 0 HA MET A 13 -15.566 6.328 -4.175 1.00 0.00 H new ATOM 0 HB2 MET A 13 -13.565 6.243 -6.503 1.00 0.00 H new ATOM 0 HB3 MET A 13 -14.808 5.022 -6.311 1.00 0.00 H new ATOM 0 HG2 MET A 13 -16.469 7.072 -6.130 1.00 0.00 H new ATOM 0 HG3 MET A 13 -15.162 7.997 -6.843 1.00 0.00 H new ATOM 0 HE1 MET A 13 -17.764 4.735 -8.715 1.00 0.00 H new ATOM 0 HE2 MET A 13 -16.941 4.508 -7.153 1.00 0.00 H new ATOM 0 HE3 MET A 13 -18.121 5.825 -7.354 1.00 0.00 H new ATOM 202 N SER A 14 -14.489 4.488 -2.964 1.00 0.00 N ATOM 203 CA SER A 14 -13.839 3.369 -2.221 1.00 0.00 C ATOM 204 C SER A 14 -14.177 2.029 -2.881 1.00 0.00 C ATOM 205 O SER A 14 -14.894 1.977 -3.862 1.00 0.00 O ATOM 206 CB SER A 14 -14.426 3.438 -0.812 1.00 0.00 C ATOM 207 OG SER A 14 -14.182 2.209 -0.140 1.00 0.00 O ATOM 0 H SER A 14 -15.461 4.665 -2.712 1.00 0.00 H new ATOM 0 HA SER A 14 -12.752 3.452 -2.214 1.00 0.00 H new ATOM 0 HB2 SER A 14 -13.978 4.263 -0.259 1.00 0.00 H new ATOM 0 HB3 SER A 14 -15.497 3.632 -0.861 1.00 0.00 H new ATOM 0 HG SER A 14 -14.556 2.251 0.765 1.00 0.00 H new ATOM 213 N SER A 15 -13.664 0.950 -2.348 1.00 0.00 N ATOM 214 CA SER A 15 -13.951 -0.394 -2.939 1.00 0.00 C ATOM 215 C SER A 15 -15.414 -0.777 -2.697 1.00 0.00 C ATOM 216 O SER A 15 -16.008 -1.507 -3.468 1.00 0.00 O ATOM 217 CB SER A 15 -13.017 -1.363 -2.214 1.00 0.00 C ATOM 218 OG SER A 15 -13.389 -1.436 -0.844 1.00 0.00 O ATOM 0 H SER A 15 -13.058 0.941 -1.528 1.00 0.00 H new ATOM 0 HA SER A 15 -13.791 -0.409 -4.017 1.00 0.00 H new ATOM 0 HB2 SER A 15 -13.073 -2.351 -2.671 1.00 0.00 H new ATOM 0 HB3 SER A 15 -11.984 -1.027 -2.305 1.00 0.00 H new ATOM 0 HG SER A 15 -12.793 -2.058 -0.376 1.00 0.00 H new ATOM 224 N TYR A 16 -15.996 -0.288 -1.631 1.00 0.00 N ATOM 225 CA TYR A 16 -17.423 -0.620 -1.331 1.00 0.00 C ATOM 226 C TYR A 16 -18.351 0.106 -2.309 1.00 0.00 C ATOM 227 O TYR A 16 -19.431 -0.364 -2.616 1.00 0.00 O ATOM 228 CB TYR A 16 -17.661 -0.129 0.098 1.00 0.00 C ATOM 229 CG TYR A 16 -18.886 -0.806 0.665 1.00 0.00 C ATOM 230 CD1 TYR A 16 -18.796 -2.113 1.158 1.00 0.00 C ATOM 231 CD2 TYR A 16 -20.109 -0.128 0.697 1.00 0.00 C ATOM 232 CE1 TYR A 16 -19.933 -2.742 1.683 1.00 0.00 C ATOM 233 CE2 TYR A 16 -21.245 -0.756 1.222 1.00 0.00 C ATOM 234 CZ TYR A 16 -21.156 -2.063 1.714 1.00 0.00 C ATOM 235 OH TYR A 16 -22.275 -2.683 2.232 1.00 0.00 O ATOM 0 H TYR A 16 -15.544 0.328 -0.955 1.00 0.00 H new ATOM 0 HA TYR A 16 -17.625 -1.687 -1.431 1.00 0.00 H new ATOM 0 HB2 TYR A 16 -16.792 -0.347 0.718 1.00 0.00 H new ATOM 0 HB3 TYR A 16 -17.794 0.953 0.105 1.00 0.00 H new ATOM 0 HD1 TYR A 16 -17.851 -2.636 1.134 1.00 0.00 H new ATOM 0 HD2 TYR A 16 -20.177 0.880 0.317 1.00 0.00 H new ATOM 0 HE1 TYR A 16 -19.865 -3.750 2.064 1.00 0.00 H new ATOM 0 HE2 TYR A 16 -22.189 -0.232 1.247 1.00 0.00 H new ATOM 0 HH TYR A 16 -23.040 -2.073 2.180 1.00 0.00 H new ATOM 245 N ALA A 17 -17.937 1.247 -2.799 1.00 0.00 N ATOM 246 CA ALA A 17 -18.789 2.010 -3.760 1.00 0.00 C ATOM 247 C ALA A 17 -18.735 1.359 -5.144 1.00 0.00 C ATOM 248 O ALA A 17 -19.682 1.420 -5.905 1.00 0.00 O ATOM 249 CB ALA A 17 -18.187 3.415 -3.804 1.00 0.00 C ATOM 0 H ALA A 17 -17.043 1.684 -2.574 1.00 0.00 H new ATOM 0 HA ALA A 17 -19.836 2.028 -3.456 1.00 0.00 H new ATOM 0 HB1 ALA A 17 -18.762 4.036 -4.492 1.00 0.00 H new ATOM 0 HB2 ALA A 17 -18.216 3.855 -2.807 1.00 0.00 H new ATOM 0 HB3 ALA A 17 -17.153 3.357 -4.145 1.00 0.00 H new ATOM 255 N PHE A 18 -17.632 0.733 -5.471 1.00 0.00 N ATOM 256 CA PHE A 18 -17.507 0.072 -6.805 1.00 0.00 C ATOM 257 C PHE A 18 -18.229 -1.279 -6.795 1.00 0.00 C ATOM 258 O PHE A 18 -18.706 -1.743 -7.812 1.00 0.00 O ATOM 259 CB PHE A 18 -16.004 -0.124 -7.013 1.00 0.00 C ATOM 260 CG PHE A 18 -15.413 1.124 -7.624 1.00 0.00 C ATOM 261 CD1 PHE A 18 -15.819 1.541 -8.897 1.00 0.00 C ATOM 262 CD2 PHE A 18 -14.458 1.865 -6.916 1.00 0.00 C ATOM 263 CE1 PHE A 18 -15.272 2.699 -9.463 1.00 0.00 C ATOM 264 CE2 PHE A 18 -13.911 3.022 -7.482 1.00 0.00 C ATOM 265 CZ PHE A 18 -14.317 3.439 -8.755 1.00 0.00 C ATOM 0 H PHE A 18 -16.812 0.651 -4.870 1.00 0.00 H new ATOM 0 HA PHE A 18 -17.954 0.665 -7.603 1.00 0.00 H new ATOM 0 HB2 PHE A 18 -15.519 -0.340 -6.061 1.00 0.00 H new ATOM 0 HB3 PHE A 18 -15.825 -0.980 -7.663 1.00 0.00 H new ATOM 0 HD1 PHE A 18 -16.555 0.969 -9.443 1.00 0.00 H new ATOM 0 HD2 PHE A 18 -14.144 1.544 -5.934 1.00 0.00 H new ATOM 0 HE1 PHE A 18 -15.586 3.021 -10.445 1.00 0.00 H new ATOM 0 HE2 PHE A 18 -13.175 3.594 -6.936 1.00 0.00 H new ATOM 0 HZ PHE A 18 -13.894 4.332 -9.191 1.00 0.00 H new ATOM 275 N PHE A 19 -18.310 -1.908 -5.650 1.00 0.00 N ATOM 276 CA PHE A 19 -19.001 -3.232 -5.563 1.00 0.00 C ATOM 277 C PHE A 19 -20.487 -3.074 -5.898 1.00 0.00 C ATOM 278 O PHE A 19 -21.024 -3.790 -6.723 1.00 0.00 O ATOM 279 CB PHE A 19 -18.826 -3.685 -4.112 1.00 0.00 C ATOM 280 CG PHE A 19 -19.135 -5.159 -4.002 1.00 0.00 C ATOM 281 CD1 PHE A 19 -18.281 -6.099 -4.591 1.00 0.00 C ATOM 282 CD2 PHE A 19 -20.275 -5.584 -3.309 1.00 0.00 C ATOM 283 CE1 PHE A 19 -18.568 -7.465 -4.489 1.00 0.00 C ATOM 284 CE2 PHE A 19 -20.561 -6.950 -3.207 1.00 0.00 C ATOM 285 CZ PHE A 19 -19.708 -7.890 -3.796 1.00 0.00 C ATOM 0 H PHE A 19 -17.927 -1.562 -4.770 1.00 0.00 H new ATOM 0 HA PHE A 19 -18.589 -3.956 -6.266 1.00 0.00 H new ATOM 0 HB2 PHE A 19 -17.806 -3.491 -3.780 1.00 0.00 H new ATOM 0 HB3 PHE A 19 -19.487 -3.115 -3.460 1.00 0.00 H new ATOM 0 HD1 PHE A 19 -17.401 -5.770 -5.124 1.00 0.00 H new ATOM 0 HD2 PHE A 19 -20.933 -4.858 -2.854 1.00 0.00 H new ATOM 0 HE1 PHE A 19 -17.911 -8.191 -4.945 1.00 0.00 H new ATOM 0 HE2 PHE A 19 -21.440 -7.279 -2.673 1.00 0.00 H new ATOM 0 HZ PHE A 19 -19.929 -8.944 -3.716 1.00 0.00 H new ATOM 295 N VAL A 20 -21.151 -2.141 -5.265 1.00 0.00 N ATOM 296 CA VAL A 20 -22.605 -1.927 -5.543 1.00 0.00 C ATOM 297 C VAL A 20 -22.784 -1.270 -6.915 1.00 0.00 C ATOM 298 O VAL A 20 -23.729 -1.553 -7.628 1.00 0.00 O ATOM 299 CB VAL A 20 -23.094 -1.000 -4.423 1.00 0.00 C ATOM 300 CG1 VAL A 20 -24.577 -0.668 -4.626 1.00 0.00 C ATOM 301 CG2 VAL A 20 -22.913 -1.698 -3.072 1.00 0.00 C ATOM 0 H VAL A 20 -20.749 -1.516 -4.566 1.00 0.00 H new ATOM 0 HA VAL A 20 -23.167 -2.860 -5.564 1.00 0.00 H new ATOM 0 HB VAL A 20 -22.514 -0.077 -4.444 1.00 0.00 H new ATOM 0 HG11 VAL A 20 -24.915 -0.009 -3.826 1.00 0.00 H new ATOM 0 HG12 VAL A 20 -24.710 -0.170 -5.587 1.00 0.00 H new ATOM 0 HG13 VAL A 20 -25.161 -1.588 -4.610 1.00 0.00 H new ATOM 0 HG21 VAL A 20 -23.260 -1.041 -2.274 1.00 0.00 H new ATOM 0 HG22 VAL A 20 -23.492 -2.622 -3.059 1.00 0.00 H new ATOM 0 HG23 VAL A 20 -21.859 -1.928 -2.920 1.00 0.00 H new ATOM 311 N GLN A 21 -21.882 -0.397 -7.290 1.00 0.00 N ATOM 312 CA GLN A 21 -21.996 0.281 -8.619 1.00 0.00 C ATOM 313 C GLN A 21 -21.813 -0.737 -9.747 1.00 0.00 C ATOM 314 O GLN A 21 -22.565 -0.757 -10.703 1.00 0.00 O ATOM 315 CB GLN A 21 -20.869 1.316 -8.643 1.00 0.00 C ATOM 316 CG GLN A 21 -21.053 2.244 -9.847 1.00 0.00 C ATOM 317 CD GLN A 21 -20.471 1.582 -11.096 1.00 0.00 C ATOM 318 OE1 GLN A 21 -21.280 1.116 -12.010 1.00 0.00 O flip ATOM 319 NE2 GLN A 21 -19.269 1.487 -11.244 1.00 0.00 N flip ATOM 0 H GLN A 21 -21.072 -0.124 -6.734 1.00 0.00 H new ATOM 0 HA GLN A 21 -22.973 0.744 -8.761 1.00 0.00 H new ATOM 0 HB2 GLN A 21 -20.873 1.895 -7.720 1.00 0.00 H new ATOM 0 HB3 GLN A 21 -19.902 0.815 -8.701 1.00 0.00 H new ATOM 0 HG2 GLN A 21 -22.111 2.458 -9.996 1.00 0.00 H new ATOM 0 HG3 GLN A 21 -20.558 3.197 -9.664 1.00 0.00 H new ATOM 0 HE21 GLN A 21 -18.637 1.851 -10.531 1.00 0.00 H new ATOM 0 HE22 GLN A 21 -18.892 1.044 -12.082 1.00 0.00 H new ATOM 328 N THR A 22 -20.818 -1.581 -9.640 1.00 0.00 N ATOM 329 CA THR A 22 -20.580 -2.605 -10.704 1.00 0.00 C ATOM 330 C THR A 22 -21.676 -3.672 -10.662 1.00 0.00 C ATOM 331 O THR A 22 -22.010 -4.269 -11.669 1.00 0.00 O ATOM 332 CB THR A 22 -19.218 -3.221 -10.374 1.00 0.00 C ATOM 333 OG1 THR A 22 -18.247 -2.190 -10.270 1.00 0.00 O ATOM 334 CG2 THR A 22 -18.815 -4.195 -11.482 1.00 0.00 C ATOM 0 H THR A 22 -20.159 -1.606 -8.861 1.00 0.00 H new ATOM 0 HA THR A 22 -20.595 -2.170 -11.703 1.00 0.00 H new ATOM 0 HB THR A 22 -19.281 -3.758 -9.427 1.00 0.00 H new ATOM 0 HG1 THR A 22 -17.961 -2.103 -9.337 1.00 0.00 H new ATOM 0 HG21 THR A 22 -17.845 -4.633 -11.246 1.00 0.00 H new ATOM 0 HG22 THR A 22 -19.561 -4.986 -11.560 1.00 0.00 H new ATOM 0 HG23 THR A 22 -18.751 -3.661 -12.430 1.00 0.00 H new ATOM 342 N SER A 23 -22.237 -3.912 -9.504 1.00 0.00 N ATOM 343 CA SER A 23 -23.314 -4.940 -9.386 1.00 0.00 C ATOM 344 C SER A 23 -24.696 -4.328 -9.674 1.00 0.00 C ATOM 345 O SER A 23 -25.705 -4.997 -9.554 1.00 0.00 O ATOM 346 CB SER A 23 -23.236 -5.426 -7.940 1.00 0.00 C ATOM 347 OG SER A 23 -21.943 -5.962 -7.695 1.00 0.00 O ATOM 0 H SER A 23 -21.995 -3.439 -8.633 1.00 0.00 H new ATOM 0 HA SER A 23 -23.181 -5.750 -10.104 1.00 0.00 H new ATOM 0 HB2 SER A 23 -23.436 -4.602 -7.256 1.00 0.00 H new ATOM 0 HB3 SER A 23 -23.997 -6.184 -7.757 1.00 0.00 H new ATOM 0 HG SER A 23 -21.319 -5.233 -7.497 1.00 0.00 H new ATOM 353 N ARG A 24 -24.754 -3.071 -10.054 1.00 0.00 N ATOM 354 CA ARG A 24 -26.074 -2.436 -10.348 1.00 0.00 C ATOM 355 C ARG A 24 -26.400 -2.575 -11.837 1.00 0.00 C ATOM 356 O ARG A 24 -27.503 -2.932 -12.207 1.00 0.00 O ATOM 357 CB ARG A 24 -25.906 -0.963 -9.970 1.00 0.00 C ATOM 358 CG ARG A 24 -27.198 -0.443 -9.325 1.00 0.00 C ATOM 359 CD ARG A 24 -27.545 0.936 -9.895 1.00 0.00 C ATOM 360 NE ARG A 24 -28.276 0.654 -11.161 1.00 0.00 N ATOM 361 CZ ARG A 24 -29.579 0.616 -11.167 1.00 0.00 C ATOM 362 NH1 ARG A 24 -30.265 1.724 -11.257 1.00 0.00 N ATOM 363 NH2 ARG A 24 -30.200 -0.529 -11.083 1.00 0.00 N ATOM 0 H ARG A 24 -23.944 -2.462 -10.172 1.00 0.00 H new ATOM 0 HA ARG A 24 -26.889 -2.903 -9.795 1.00 0.00 H new ATOM 0 HB2 ARG A 24 -25.071 -0.848 -9.278 1.00 0.00 H new ATOM 0 HB3 ARG A 24 -25.669 -0.375 -10.857 1.00 0.00 H new ATOM 0 HG2 ARG A 24 -28.015 -1.140 -9.513 1.00 0.00 H new ATOM 0 HG3 ARG A 24 -27.075 -0.379 -8.244 1.00 0.00 H new ATOM 0 HD2 ARG A 24 -28.162 1.506 -9.201 1.00 0.00 H new ATOM 0 HD3 ARG A 24 -26.646 1.525 -10.080 1.00 0.00 H new ATOM 0 HE ARG A 24 -27.757 0.491 -12.024 1.00 0.00 H new ATOM 0 HH11 ARG A 24 -29.781 2.620 -11.323 1.00 0.00 H new ATOM 0 HH12 ARG A 24 -31.285 1.694 -11.262 1.00 0.00 H new ATOM 0 HH21 ARG A 24 -29.666 -1.395 -11.013 1.00 0.00 H new ATOM 0 HH22 ARG A 24 -31.220 -0.558 -11.088 1.00 0.00 H new ATOM 377 N GLU A 25 -25.445 -2.302 -12.690 1.00 0.00 N ATOM 378 CA GLU A 25 -25.691 -2.422 -14.162 1.00 0.00 C ATOM 379 C GLU A 25 -26.066 -3.865 -14.509 1.00 0.00 C ATOM 380 O GLU A 25 -26.914 -4.113 -15.345 1.00 0.00 O ATOM 381 CB GLU A 25 -24.368 -2.036 -14.828 1.00 0.00 C ATOM 382 CG GLU A 25 -24.111 -0.542 -14.623 1.00 0.00 C ATOM 383 CD GLU A 25 -23.120 -0.045 -15.677 1.00 0.00 C ATOM 384 OE1 GLU A 25 -23.447 -0.116 -16.850 1.00 0.00 O ATOM 385 OE2 GLU A 25 -22.051 0.398 -15.293 1.00 0.00 O ATOM 0 H GLU A 25 -24.505 -2.001 -12.432 1.00 0.00 H new ATOM 0 HA GLU A 25 -26.509 -1.785 -14.498 1.00 0.00 H new ATOM 0 HB2 GLU A 25 -23.551 -2.618 -14.402 1.00 0.00 H new ATOM 0 HB3 GLU A 25 -24.403 -2.267 -15.893 1.00 0.00 H new ATOM 0 HG2 GLU A 25 -25.046 0.012 -14.698 1.00 0.00 H new ATOM 0 HG3 GLU A 25 -23.715 -0.364 -13.623 1.00 0.00 H new ATOM 392 N GLU A 26 -25.441 -4.815 -13.861 1.00 0.00 N ATOM 393 CA GLU A 26 -25.757 -6.250 -14.134 1.00 0.00 C ATOM 394 C GLU A 26 -27.179 -6.581 -13.657 1.00 0.00 C ATOM 395 O GLU A 26 -27.801 -7.510 -14.137 1.00 0.00 O ATOM 396 CB GLU A 26 -24.713 -7.056 -13.347 1.00 0.00 C ATOM 397 CG GLU A 26 -24.799 -6.719 -11.855 1.00 0.00 C ATOM 398 CD GLU A 26 -24.126 -7.826 -11.043 1.00 0.00 C ATOM 399 OE1 GLU A 26 -22.908 -7.904 -11.078 1.00 0.00 O ATOM 400 OE2 GLU A 26 -24.838 -8.580 -10.400 1.00 0.00 O ATOM 0 H GLU A 26 -24.724 -4.658 -13.153 1.00 0.00 H new ATOM 0 HA GLU A 26 -25.720 -6.483 -15.198 1.00 0.00 H new ATOM 0 HB2 GLU A 26 -24.878 -8.123 -13.496 1.00 0.00 H new ATOM 0 HB3 GLU A 26 -23.714 -6.833 -13.721 1.00 0.00 H new ATOM 0 HG2 GLU A 26 -24.314 -5.763 -11.659 1.00 0.00 H new ATOM 0 HG3 GLU A 26 -25.841 -6.615 -11.554 1.00 0.00 H new ATOM 407 N HIS A 27 -27.693 -5.825 -12.718 1.00 0.00 N ATOM 408 CA HIS A 27 -29.074 -6.088 -12.206 1.00 0.00 C ATOM 409 C HIS A 27 -30.111 -5.713 -13.270 1.00 0.00 C ATOM 410 O HIS A 27 -31.192 -6.265 -13.313 1.00 0.00 O ATOM 411 CB HIS A 27 -29.219 -5.192 -10.971 1.00 0.00 C ATOM 412 CG HIS A 27 -30.563 -5.416 -10.333 1.00 0.00 C ATOM 413 ND1 HIS A 27 -30.825 -6.509 -9.523 1.00 0.00 N ATOM 414 CD2 HIS A 27 -31.729 -4.691 -10.374 1.00 0.00 C ATOM 415 CE1 HIS A 27 -32.104 -6.412 -9.113 1.00 0.00 C ATOM 416 NE2 HIS A 27 -32.700 -5.322 -9.603 1.00 0.00 N ATOM 0 H HIS A 27 -27.215 -5.036 -12.283 1.00 0.00 H new ATOM 0 HA HIS A 27 -29.233 -7.139 -11.965 1.00 0.00 H new ATOM 0 HB2 HIS A 27 -28.426 -5.411 -10.256 1.00 0.00 H new ATOM 0 HB3 HIS A 27 -29.111 -4.145 -11.255 1.00 0.00 H new ATOM 0 HD2 HIS A 27 -31.870 -3.771 -10.922 1.00 0.00 H new ATOM 0 HE1 HIS A 27 -32.589 -7.129 -8.467 1.00 0.00 H new ATOM 0 HE2 HIS A 27 -33.661 -5.018 -9.446 1.00 0.00 H new ATOM 424 N LYS A 28 -29.786 -4.777 -14.128 1.00 0.00 N ATOM 425 CA LYS A 28 -30.751 -4.360 -15.192 1.00 0.00 C ATOM 426 C LYS A 28 -30.705 -5.319 -16.394 1.00 0.00 C ATOM 427 O LYS A 28 -31.360 -5.091 -17.394 1.00 0.00 O ATOM 428 CB LYS A 28 -30.294 -2.963 -15.613 1.00 0.00 C ATOM 429 CG LYS A 28 -30.820 -1.930 -14.615 1.00 0.00 C ATOM 430 CD LYS A 28 -30.922 -0.564 -15.299 1.00 0.00 C ATOM 431 CE LYS A 28 -30.753 0.543 -14.256 1.00 0.00 C ATOM 432 NZ LYS A 28 -29.281 0.738 -14.137 1.00 0.00 N ATOM 0 H LYS A 28 -28.893 -4.284 -14.137 1.00 0.00 H new ATOM 0 HA LYS A 28 -31.778 -4.372 -14.828 1.00 0.00 H new ATOM 0 HB2 LYS A 28 -29.206 -2.922 -15.655 1.00 0.00 H new ATOM 0 HB3 LYS A 28 -30.660 -2.736 -16.614 1.00 0.00 H new ATOM 0 HG2 LYS A 28 -31.797 -2.235 -14.241 1.00 0.00 H new ATOM 0 HG3 LYS A 28 -30.154 -1.869 -13.754 1.00 0.00 H new ATOM 0 HD2 LYS A 28 -30.156 -0.473 -16.069 1.00 0.00 H new ATOM 0 HD3 LYS A 28 -31.887 -0.466 -15.796 1.00 0.00 H new ATOM 0 HE2 LYS A 28 -31.249 1.461 -14.571 1.00 0.00 H new ATOM 0 HE3 LYS A 28 -31.192 0.256 -13.300 1.00 0.00 H new ATOM 0 HZ1 LYS A 28 -29.088 1.617 -13.616 1.00 0.00 H new ATOM 0 HZ2 LYS A 28 -28.864 -0.066 -13.626 1.00 0.00 H new ATOM 0 HZ3 LYS A 28 -28.861 0.800 -15.086 1.00 0.00 H new ATOM 446 N LYS A 29 -29.942 -6.386 -16.311 1.00 0.00 N ATOM 447 CA LYS A 29 -29.865 -7.346 -17.453 1.00 0.00 C ATOM 448 C LYS A 29 -30.749 -8.574 -17.196 1.00 0.00 C ATOM 449 O LYS A 29 -31.062 -9.316 -18.108 1.00 0.00 O ATOM 450 CB LYS A 29 -28.392 -7.755 -17.523 1.00 0.00 C ATOM 451 CG LYS A 29 -27.583 -6.644 -18.196 1.00 0.00 C ATOM 452 CD LYS A 29 -26.208 -7.184 -18.593 1.00 0.00 C ATOM 453 CE LYS A 29 -25.350 -6.042 -19.141 1.00 0.00 C ATOM 454 NZ LYS A 29 -24.193 -6.713 -19.797 1.00 0.00 N ATOM 0 H LYS A 29 -29.371 -6.630 -15.501 1.00 0.00 H new ATOM 0 HA LYS A 29 -30.217 -6.900 -18.383 1.00 0.00 H new ATOM 0 HB2 LYS A 29 -28.008 -7.942 -16.520 1.00 0.00 H new ATOM 0 HB3 LYS A 29 -28.288 -8.685 -18.083 1.00 0.00 H new ATOM 0 HG2 LYS A 29 -28.110 -6.278 -19.077 1.00 0.00 H new ATOM 0 HG3 LYS A 29 -27.471 -5.798 -17.517 1.00 0.00 H new ATOM 0 HD2 LYS A 29 -25.721 -7.637 -17.730 1.00 0.00 H new ATOM 0 HD3 LYS A 29 -26.316 -7.965 -19.345 1.00 0.00 H new ATOM 0 HE2 LYS A 29 -25.909 -5.434 -19.852 1.00 0.00 H new ATOM 0 HE3 LYS A 29 -25.020 -5.377 -18.343 1.00 0.00 H new ATOM 0 HZ1 LYS A 29 -23.557 -5.995 -20.198 1.00 0.00 H new ATOM 0 HZ2 LYS A 29 -23.676 -7.279 -19.094 1.00 0.00 H new ATOM 0 HZ3 LYS A 29 -24.537 -7.334 -20.557 1.00 0.00 H new ATOM 468 N LYS A 30 -31.148 -8.800 -15.966 1.00 0.00 N ATOM 469 CA LYS A 30 -32.005 -9.987 -15.659 1.00 0.00 C ATOM 470 C LYS A 30 -33.159 -9.606 -14.726 1.00 0.00 C ATOM 471 O LYS A 30 -33.711 -10.447 -14.043 1.00 0.00 O ATOM 472 CB LYS A 30 -31.070 -10.993 -14.975 1.00 0.00 C ATOM 473 CG LYS A 30 -30.429 -10.362 -13.728 1.00 0.00 C ATOM 474 CD LYS A 30 -28.902 -10.383 -13.859 1.00 0.00 C ATOM 475 CE LYS A 30 -28.268 -10.015 -12.516 1.00 0.00 C ATOM 476 NZ LYS A 30 -26.800 -10.044 -12.763 1.00 0.00 N ATOM 0 H LYS A 30 -30.917 -8.214 -15.164 1.00 0.00 H new ATOM 0 HA LYS A 30 -32.460 -10.397 -16.560 1.00 0.00 H new ATOM 0 HB2 LYS A 30 -31.628 -11.886 -14.693 1.00 0.00 H new ATOM 0 HB3 LYS A 30 -30.293 -11.310 -15.671 1.00 0.00 H new ATOM 0 HG2 LYS A 30 -30.778 -9.336 -13.608 1.00 0.00 H new ATOM 0 HG3 LYS A 30 -30.734 -10.909 -12.836 1.00 0.00 H new ATOM 0 HD2 LYS A 30 -28.567 -11.372 -14.172 1.00 0.00 H new ATOM 0 HD3 LYS A 30 -28.583 -9.680 -14.628 1.00 0.00 H new ATOM 0 HE2 LYS A 30 -28.593 -9.029 -12.183 1.00 0.00 H new ATOM 0 HE3 LYS A 30 -28.552 -10.724 -11.738 1.00 0.00 H new ATOM 0 HZ1 LYS A 30 -26.300 -9.672 -11.930 1.00 0.00 H new ATOM 0 HZ2 LYS A 30 -26.497 -11.023 -12.940 1.00 0.00 H new ATOM 0 HZ3 LYS A 30 -26.576 -9.457 -13.592 1.00 0.00 H new ATOM 490 N HIS A 31 -33.534 -8.350 -14.696 1.00 0.00 N ATOM 491 CA HIS A 31 -34.659 -7.921 -13.809 1.00 0.00 C ATOM 492 C HIS A 31 -35.461 -6.789 -14.472 1.00 0.00 C ATOM 493 O HIS A 31 -35.210 -5.630 -14.209 1.00 0.00 O ATOM 494 CB HIS A 31 -33.995 -7.424 -12.524 1.00 0.00 C ATOM 495 CG HIS A 31 -33.225 -8.548 -11.884 1.00 0.00 C ATOM 496 ND1 HIS A 31 -33.819 -9.757 -11.558 1.00 0.00 N ATOM 497 CD2 HIS A 31 -31.909 -8.665 -11.516 1.00 0.00 C ATOM 498 CE1 HIS A 31 -32.869 -10.542 -11.020 1.00 0.00 C ATOM 499 NE2 HIS A 31 -31.686 -9.925 -10.970 1.00 0.00 N ATOM 0 H HIS A 31 -33.109 -7.604 -15.247 1.00 0.00 H new ATOM 0 HA HIS A 31 -35.358 -8.735 -13.615 1.00 0.00 H new ATOM 0 HB2 HIS A 31 -33.326 -6.593 -12.747 1.00 0.00 H new ATOM 0 HB3 HIS A 31 -34.751 -7.049 -11.834 1.00 0.00 H new ATOM 0 HD2 HIS A 31 -31.160 -7.896 -11.632 1.00 0.00 H new ATOM 0 HE1 HIS A 31 -33.042 -11.549 -10.671 1.00 0.00 H new ATOM 0 HE2 HIS A 31 -30.808 -10.297 -10.609 1.00 0.00 H new ATOM 507 N PRO A 32 -36.405 -7.155 -15.312 1.00 0.00 N ATOM 508 CA PRO A 32 -37.233 -6.133 -15.999 1.00 0.00 C ATOM 509 C PRO A 32 -38.236 -5.513 -15.021 1.00 0.00 C ATOM 510 O PRO A 32 -38.630 -4.371 -15.165 1.00 0.00 O ATOM 511 CB PRO A 32 -37.954 -6.923 -17.088 1.00 0.00 C ATOM 512 CG PRO A 32 -37.992 -8.331 -16.588 1.00 0.00 C ATOM 513 CD PRO A 32 -36.789 -8.523 -15.702 1.00 0.00 C ATOM 0 HA PRO A 32 -36.646 -5.306 -16.399 1.00 0.00 H new ATOM 0 HB2 PRO A 32 -38.960 -6.537 -17.255 1.00 0.00 H new ATOM 0 HB3 PRO A 32 -37.425 -6.857 -18.039 1.00 0.00 H new ATOM 0 HG2 PRO A 32 -38.912 -8.517 -16.033 1.00 0.00 H new ATOM 0 HG3 PRO A 32 -37.973 -9.035 -17.420 1.00 0.00 H new ATOM 0 HD2 PRO A 32 -37.029 -9.133 -14.831 1.00 0.00 H new ATOM 0 HD3 PRO A 32 -35.981 -9.028 -16.231 1.00 0.00 H new ATOM 521 N ASP A 33 -38.653 -6.262 -14.031 1.00 0.00 N ATOM 522 CA ASP A 33 -39.633 -5.723 -13.038 1.00 0.00 C ATOM 523 C ASP A 33 -39.074 -5.842 -11.615 1.00 0.00 C ATOM 524 O ASP A 33 -39.704 -6.400 -10.737 1.00 0.00 O ATOM 525 CB ASP A 33 -40.890 -6.589 -13.203 1.00 0.00 C ATOM 526 CG ASP A 33 -40.549 -8.062 -12.951 1.00 0.00 C ATOM 527 OD1 ASP A 33 -40.065 -8.703 -13.869 1.00 0.00 O ATOM 528 OD2 ASP A 33 -40.780 -8.522 -11.846 1.00 0.00 O ATOM 0 H ASP A 33 -38.357 -7.224 -13.867 1.00 0.00 H new ATOM 0 HA ASP A 33 -39.845 -4.667 -13.203 1.00 0.00 H new ATOM 0 HB2 ASP A 33 -41.661 -6.261 -12.506 1.00 0.00 H new ATOM 0 HB3 ASP A 33 -41.296 -6.468 -14.207 1.00 0.00 H new ATOM 533 N SER A 34 -37.897 -5.317 -11.385 1.00 0.00 N ATOM 534 CA SER A 34 -37.290 -5.392 -10.022 1.00 0.00 C ATOM 535 C SER A 34 -36.353 -4.201 -9.794 1.00 0.00 C ATOM 536 O SER A 34 -35.209 -4.214 -10.207 1.00 0.00 O ATOM 537 CB SER A 34 -36.509 -6.708 -10.005 1.00 0.00 C ATOM 538 OG SER A 34 -36.804 -7.413 -8.807 1.00 0.00 O ATOM 0 H SER A 34 -37.329 -4.839 -12.084 1.00 0.00 H new ATOM 0 HA SER A 34 -38.041 -5.358 -9.232 1.00 0.00 H new ATOM 0 HB2 SER A 34 -36.775 -7.313 -10.872 1.00 0.00 H new ATOM 0 HB3 SER A 34 -35.439 -6.510 -10.070 1.00 0.00 H new ATOM 0 HG SER A 34 -36.307 -8.257 -8.793 1.00 0.00 H new ATOM 544 N SER A 35 -36.835 -3.174 -9.140 1.00 0.00 N ATOM 545 CA SER A 35 -35.983 -1.976 -8.881 1.00 0.00 C ATOM 546 C SER A 35 -35.104 -2.196 -7.655 1.00 0.00 C ATOM 547 O SER A 35 -35.251 -3.166 -6.936 1.00 0.00 O ATOM 548 CB SER A 35 -36.966 -0.831 -8.640 1.00 0.00 C ATOM 549 OG SER A 35 -36.247 0.391 -8.535 1.00 0.00 O ATOM 0 H SER A 35 -37.785 -3.115 -8.774 1.00 0.00 H new ATOM 0 HA SER A 35 -35.310 -1.767 -9.713 1.00 0.00 H new ATOM 0 HB2 SER A 35 -37.684 -0.775 -9.458 1.00 0.00 H new ATOM 0 HB3 SER A 35 -37.535 -1.011 -7.728 1.00 0.00 H new ATOM 0 HG SER A 35 -36.875 1.128 -8.382 1.00 0.00 H new ATOM 555 N VAL A 36 -34.182 -1.301 -7.425 1.00 0.00 N ATOM 556 CA VAL A 36 -33.268 -1.441 -6.257 1.00 0.00 C ATOM 557 C VAL A 36 -32.881 -0.059 -5.714 1.00 0.00 C ATOM 558 O VAL A 36 -32.114 0.665 -6.320 1.00 0.00 O ATOM 559 CB VAL A 36 -32.043 -2.183 -6.803 1.00 0.00 C ATOM 560 CG1 VAL A 36 -32.465 -3.569 -7.297 1.00 0.00 C ATOM 561 CG2 VAL A 36 -31.411 -1.396 -7.962 1.00 0.00 C ATOM 0 H VAL A 36 -34.022 -0.474 -8.000 1.00 0.00 H new ATOM 0 HA VAL A 36 -33.729 -1.979 -5.429 1.00 0.00 H new ATOM 0 HB VAL A 36 -31.308 -2.283 -6.005 1.00 0.00 H new ATOM 0 HG11 VAL A 36 -31.594 -4.097 -7.686 1.00 0.00 H new ATOM 0 HG12 VAL A 36 -32.894 -4.135 -6.470 1.00 0.00 H new ATOM 0 HG13 VAL A 36 -33.208 -3.463 -8.088 1.00 0.00 H new ATOM 0 HG21 VAL A 36 -30.543 -1.937 -8.338 1.00 0.00 H new ATOM 0 HG22 VAL A 36 -32.141 -1.279 -8.763 1.00 0.00 H new ATOM 0 HG23 VAL A 36 -31.101 -0.413 -7.608 1.00 0.00 H new ATOM 571 N ASN A 37 -33.410 0.309 -4.573 1.00 0.00 N ATOM 572 CA ASN A 37 -33.078 1.645 -3.981 1.00 0.00 C ATOM 573 C ASN A 37 -31.833 1.537 -3.095 1.00 0.00 C ATOM 574 O ASN A 37 -31.845 1.932 -1.948 1.00 0.00 O ATOM 575 CB ASN A 37 -34.307 2.043 -3.153 1.00 0.00 C ATOM 576 CG ASN A 37 -34.579 0.995 -2.068 1.00 0.00 C ATOM 577 OD1 ASN A 37 -35.484 0.079 -2.277 1.00 0.00 O flip ATOM 578 ND2 ASN A 37 -33.962 1.011 -1.022 1.00 0.00 N flip ATOM 0 H ASN A 37 -34.058 -0.257 -4.025 1.00 0.00 H new ATOM 0 HA ASN A 37 -32.856 2.389 -4.746 1.00 0.00 H new ATOM 0 HB2 ASN A 37 -34.144 3.018 -2.694 1.00 0.00 H new ATOM 0 HB3 ASN A 37 -35.177 2.138 -3.803 1.00 0.00 H new ATOM 0 HD21 ASN A 37 -33.254 1.727 -0.858 1.00 0.00 H new ATOM 0 HD22 ASN A 37 -34.152 0.308 -0.307 1.00 0.00 H new ATOM 585 N PHE A 38 -30.762 1.005 -3.638 1.00 0.00 N ATOM 586 CA PHE A 38 -29.472 0.841 -2.878 1.00 0.00 C ATOM 587 C PHE A 38 -29.631 -0.132 -1.706 1.00 0.00 C ATOM 588 O PHE A 38 -28.972 -1.139 -1.662 1.00 0.00 O ATOM 589 CB PHE A 38 -29.053 2.227 -2.370 1.00 0.00 C ATOM 590 CG PHE A 38 -28.964 3.188 -3.530 1.00 0.00 C ATOM 591 CD1 PHE A 38 -27.783 3.265 -4.278 1.00 0.00 C ATOM 592 CD2 PHE A 38 -30.057 3.997 -3.861 1.00 0.00 C ATOM 593 CE1 PHE A 38 -27.694 4.150 -5.358 1.00 0.00 C ATOM 594 CE2 PHE A 38 -29.968 4.884 -4.941 1.00 0.00 C ATOM 595 CZ PHE A 38 -28.787 4.960 -5.689 1.00 0.00 C ATOM 0 H PHE A 38 -30.724 0.668 -4.600 1.00 0.00 H new ATOM 0 HA PHE A 38 -28.709 0.423 -3.535 1.00 0.00 H new ATOM 0 HB2 PHE A 38 -29.775 2.590 -1.639 1.00 0.00 H new ATOM 0 HB3 PHE A 38 -28.090 2.163 -1.863 1.00 0.00 H new ATOM 0 HD1 PHE A 38 -26.940 2.641 -4.021 1.00 0.00 H new ATOM 0 HD2 PHE A 38 -30.968 3.937 -3.284 1.00 0.00 H new ATOM 0 HE1 PHE A 38 -26.783 4.208 -5.936 1.00 0.00 H new ATOM 0 HE2 PHE A 38 -30.810 5.509 -5.197 1.00 0.00 H new ATOM 0 HZ PHE A 38 -28.719 5.644 -6.522 1.00 0.00 H new ATOM 605 N ALA A 39 -30.477 0.161 -0.754 1.00 0.00 N ATOM 606 CA ALA A 39 -30.636 -0.763 0.415 1.00 0.00 C ATOM 607 C ALA A 39 -31.236 -2.098 -0.016 1.00 0.00 C ATOM 608 O ALA A 39 -30.835 -3.139 0.466 1.00 0.00 O ATOM 609 CB ALA A 39 -31.569 -0.038 1.387 1.00 0.00 C ATOM 0 H ALA A 39 -31.064 0.995 -0.732 1.00 0.00 H new ATOM 0 HA ALA A 39 -29.674 -0.994 0.873 1.00 0.00 H new ATOM 0 HB1 ALA A 39 -31.730 -0.659 2.268 1.00 0.00 H new ATOM 0 HB2 ALA A 39 -31.118 0.908 1.687 1.00 0.00 H new ATOM 0 HB3 ALA A 39 -32.525 0.154 0.899 1.00 0.00 H new ATOM 615 N GLU A 40 -32.180 -2.087 -0.917 1.00 0.00 N ATOM 616 CA GLU A 40 -32.786 -3.375 -1.370 1.00 0.00 C ATOM 617 C GLU A 40 -31.736 -4.241 -2.079 1.00 0.00 C ATOM 618 O GLU A 40 -31.939 -5.424 -2.280 1.00 0.00 O ATOM 619 CB GLU A 40 -33.903 -2.982 -2.340 1.00 0.00 C ATOM 620 CG GLU A 40 -34.871 -4.154 -2.507 1.00 0.00 C ATOM 621 CD GLU A 40 -36.047 -3.726 -3.387 1.00 0.00 C ATOM 622 OE1 GLU A 40 -36.717 -2.773 -3.022 1.00 0.00 O ATOM 623 OE2 GLU A 40 -36.258 -4.357 -4.409 1.00 0.00 O ATOM 0 H GLU A 40 -32.557 -1.248 -1.358 1.00 0.00 H new ATOM 0 HA GLU A 40 -33.166 -3.961 -0.533 1.00 0.00 H new ATOM 0 HB2 GLU A 40 -34.435 -2.108 -1.964 1.00 0.00 H new ATOM 0 HB3 GLU A 40 -33.480 -2.706 -3.306 1.00 0.00 H new ATOM 0 HG2 GLU A 40 -34.356 -5.003 -2.958 1.00 0.00 H new ATOM 0 HG3 GLU A 40 -35.233 -4.482 -1.532 1.00 0.00 H new ATOM 630 N PHE A 41 -30.618 -3.666 -2.461 1.00 0.00 N ATOM 631 CA PHE A 41 -29.566 -4.462 -3.156 1.00 0.00 C ATOM 632 C PHE A 41 -28.280 -4.486 -2.328 1.00 0.00 C ATOM 633 O PHE A 41 -27.672 -5.522 -2.132 1.00 0.00 O ATOM 634 CB PHE A 41 -29.352 -3.736 -4.483 1.00 0.00 C ATOM 635 CG PHE A 41 -28.398 -4.518 -5.351 1.00 0.00 C ATOM 636 CD1 PHE A 41 -28.757 -5.787 -5.820 1.00 0.00 C ATOM 637 CD2 PHE A 41 -27.157 -3.969 -5.695 1.00 0.00 C ATOM 638 CE1 PHE A 41 -27.873 -6.507 -6.631 1.00 0.00 C ATOM 639 CE2 PHE A 41 -26.275 -4.688 -6.506 1.00 0.00 C ATOM 640 CZ PHE A 41 -26.632 -5.957 -6.975 1.00 0.00 C ATOM 0 H PHE A 41 -30.393 -2.681 -2.320 1.00 0.00 H new ATOM 0 HA PHE A 41 -29.854 -5.503 -3.301 1.00 0.00 H new ATOM 0 HB2 PHE A 41 -30.305 -3.612 -4.997 1.00 0.00 H new ATOM 0 HB3 PHE A 41 -28.955 -2.737 -4.301 1.00 0.00 H new ATOM 0 HD1 PHE A 41 -29.715 -6.210 -5.556 1.00 0.00 H new ATOM 0 HD2 PHE A 41 -26.881 -2.989 -5.333 1.00 0.00 H new ATOM 0 HE1 PHE A 41 -28.148 -7.487 -6.992 1.00 0.00 H new ATOM 0 HE2 PHE A 41 -25.318 -4.264 -6.771 1.00 0.00 H new ATOM 0 HZ PHE A 41 -25.950 -6.512 -7.602 1.00 0.00 H new ATOM 650 N SER A 42 -27.874 -3.351 -1.831 1.00 0.00 N ATOM 651 CA SER A 42 -26.638 -3.271 -0.993 1.00 0.00 C ATOM 652 C SER A 42 -26.744 -4.235 0.196 1.00 0.00 C ATOM 653 O SER A 42 -25.749 -4.683 0.735 1.00 0.00 O ATOM 654 CB SER A 42 -26.586 -1.819 -0.510 1.00 0.00 C ATOM 655 OG SER A 42 -27.588 -1.616 0.476 1.00 0.00 O ATOM 0 H SER A 42 -28.352 -2.461 -1.971 1.00 0.00 H new ATOM 0 HA SER A 42 -25.740 -3.549 -1.545 1.00 0.00 H new ATOM 0 HB2 SER A 42 -25.602 -1.596 -0.097 1.00 0.00 H new ATOM 0 HB3 SER A 42 -26.741 -1.139 -1.348 1.00 0.00 H new ATOM 0 HG SER A 42 -27.556 -0.688 0.788 1.00 0.00 H new ATOM 661 N LYS A 43 -27.949 -4.563 0.597 1.00 0.00 N ATOM 662 CA LYS A 43 -28.136 -5.505 1.738 1.00 0.00 C ATOM 663 C LYS A 43 -27.667 -6.906 1.333 1.00 0.00 C ATOM 664 O LYS A 43 -27.217 -7.681 2.155 1.00 0.00 O ATOM 665 CB LYS A 43 -29.644 -5.504 2.015 1.00 0.00 C ATOM 666 CG LYS A 43 -29.946 -4.599 3.210 1.00 0.00 C ATOM 667 CD LYS A 43 -31.459 -4.398 3.331 1.00 0.00 C ATOM 668 CE LYS A 43 -32.060 -5.533 4.163 1.00 0.00 C ATOM 669 NZ LYS A 43 -33.281 -4.948 4.784 1.00 0.00 N ATOM 0 H LYS A 43 -28.812 -4.216 0.179 1.00 0.00 H new ATOM 0 HA LYS A 43 -27.564 -5.212 2.618 1.00 0.00 H new ATOM 0 HB2 LYS A 43 -30.185 -5.155 1.136 1.00 0.00 H new ATOM 0 HB3 LYS A 43 -29.987 -6.518 2.218 1.00 0.00 H new ATOM 0 HG2 LYS A 43 -29.554 -5.044 4.124 1.00 0.00 H new ATOM 0 HG3 LYS A 43 -29.450 -3.637 3.085 1.00 0.00 H new ATOM 0 HD2 LYS A 43 -31.673 -3.437 3.799 1.00 0.00 H new ATOM 0 HD3 LYS A 43 -31.914 -4.378 2.341 1.00 0.00 H new ATOM 0 HE2 LYS A 43 -32.307 -6.392 3.539 1.00 0.00 H new ATOM 0 HE3 LYS A 43 -31.359 -5.881 4.922 1.00 0.00 H new ATOM 0 HZ1 LYS A 43 -33.750 -5.667 5.371 1.00 0.00 H new ATOM 0 HZ2 LYS A 43 -33.014 -4.136 5.377 1.00 0.00 H new ATOM 0 HZ3 LYS A 43 -33.933 -4.632 4.038 1.00 0.00 H new ATOM 683 N LYS A 44 -27.772 -7.228 0.068 1.00 0.00 N ATOM 684 CA LYS A 44 -27.335 -8.573 -0.408 1.00 0.00 C ATOM 685 C LYS A 44 -25.851 -8.544 -0.788 1.00 0.00 C ATOM 686 O LYS A 44 -25.122 -9.486 -0.539 1.00 0.00 O ATOM 687 CB LYS A 44 -28.201 -8.858 -1.638 1.00 0.00 C ATOM 688 CG LYS A 44 -27.982 -10.301 -2.103 1.00 0.00 C ATOM 689 CD LYS A 44 -27.007 -10.320 -3.283 1.00 0.00 C ATOM 690 CE LYS A 44 -27.746 -9.921 -4.563 1.00 0.00 C ATOM 691 NZ LYS A 44 -26.751 -10.106 -5.655 1.00 0.00 N ATOM 0 H LYS A 44 -28.143 -6.614 -0.657 1.00 0.00 H new ATOM 0 HA LYS A 44 -27.450 -9.340 0.358 1.00 0.00 H new ATOM 0 HB2 LYS A 44 -29.252 -8.699 -1.399 1.00 0.00 H new ATOM 0 HB3 LYS A 44 -27.948 -8.165 -2.441 1.00 0.00 H new ATOM 0 HG2 LYS A 44 -27.588 -10.902 -1.283 1.00 0.00 H new ATOM 0 HG3 LYS A 44 -28.932 -10.747 -2.397 1.00 0.00 H new ATOM 0 HD2 LYS A 44 -26.182 -9.632 -3.098 1.00 0.00 H new ATOM 0 HD3 LYS A 44 -26.575 -11.314 -3.395 1.00 0.00 H new ATOM 0 HE2 LYS A 44 -28.626 -10.544 -4.721 1.00 0.00 H new ATOM 0 HE3 LYS A 44 -28.091 -8.888 -4.514 1.00 0.00 H new ATOM 0 HZ1 LYS A 44 -27.184 -9.852 -6.566 1.00 0.00 H new ATOM 0 HZ2 LYS A 44 -25.927 -9.496 -5.481 1.00 0.00 H new ATOM 0 HZ3 LYS A 44 -26.446 -11.100 -5.682 1.00 0.00 H new ATOM 705 N CYS A 45 -25.401 -7.468 -1.386 1.00 0.00 N ATOM 706 CA CYS A 45 -23.962 -7.374 -1.780 1.00 0.00 C ATOM 707 C CYS A 45 -23.074 -7.410 -0.533 1.00 0.00 C ATOM 708 O CYS A 45 -21.952 -7.877 -0.573 1.00 0.00 O ATOM 709 CB CYS A 45 -23.821 -6.033 -2.505 1.00 0.00 C ATOM 710 SG CYS A 45 -24.541 -6.164 -4.161 1.00 0.00 S ATOM 0 H CYS A 45 -25.968 -6.652 -1.618 1.00 0.00 H new ATOM 0 HA CYS A 45 -23.656 -8.205 -2.416 1.00 0.00 H new ATOM 0 HB2 CYS A 45 -24.322 -5.247 -1.940 1.00 0.00 H new ATOM 0 HB3 CYS A 45 -22.770 -5.754 -2.575 1.00 0.00 H new ATOM 0 HG CYS A 45 -25.263 -5.111 -4.405 1.00 0.00 H new ATOM 716 N SER A 46 -23.576 -6.927 0.576 1.00 0.00 N ATOM 717 CA SER A 46 -22.770 -6.935 1.836 1.00 0.00 C ATOM 718 C SER A 46 -22.548 -8.375 2.303 1.00 0.00 C ATOM 719 O SER A 46 -21.510 -8.709 2.842 1.00 0.00 O ATOM 720 CB SER A 46 -23.605 -6.162 2.857 1.00 0.00 C ATOM 721 OG SER A 46 -24.886 -6.767 2.972 1.00 0.00 O ATOM 0 H SER A 46 -24.510 -6.527 0.664 1.00 0.00 H new ATOM 0 HA SER A 46 -21.787 -6.485 1.699 1.00 0.00 H new ATOM 0 HB2 SER A 46 -23.104 -6.158 3.825 1.00 0.00 H new ATOM 0 HB3 SER A 46 -23.708 -5.122 2.547 1.00 0.00 H new ATOM 0 HG SER A 46 -25.423 -6.274 3.627 1.00 0.00 H new ATOM 727 N GLU A 47 -23.518 -9.230 2.094 1.00 0.00 N ATOM 728 CA GLU A 47 -23.370 -10.656 2.518 1.00 0.00 C ATOM 729 C GLU A 47 -22.270 -11.331 1.697 1.00 0.00 C ATOM 730 O GLU A 47 -21.563 -12.193 2.181 1.00 0.00 O ATOM 731 CB GLU A 47 -24.727 -11.305 2.237 1.00 0.00 C ATOM 732 CG GLU A 47 -25.667 -11.053 3.416 1.00 0.00 C ATOM 733 CD GLU A 47 -25.274 -11.958 4.586 1.00 0.00 C ATOM 734 OE1 GLU A 47 -25.503 -13.152 4.489 1.00 0.00 O ATOM 735 OE2 GLU A 47 -24.750 -11.440 5.559 1.00 0.00 O ATOM 0 H GLU A 47 -24.406 -9.002 1.648 1.00 0.00 H new ATOM 0 HA GLU A 47 -23.091 -10.748 3.568 1.00 0.00 H new ATOM 0 HB2 GLU A 47 -25.156 -10.895 1.322 1.00 0.00 H new ATOM 0 HB3 GLU A 47 -24.604 -12.376 2.079 1.00 0.00 H new ATOM 0 HG2 GLU A 47 -25.616 -10.007 3.718 1.00 0.00 H new ATOM 0 HG3 GLU A 47 -26.698 -11.249 3.121 1.00 0.00 H new ATOM 742 N ARG A 48 -22.122 -10.938 0.457 1.00 0.00 N ATOM 743 CA ARG A 48 -21.068 -11.543 -0.408 1.00 0.00 C ATOM 744 C ARG A 48 -19.755 -10.773 -0.250 1.00 0.00 C ATOM 745 O ARG A 48 -18.685 -11.350 -0.226 1.00 0.00 O ATOM 746 CB ARG A 48 -21.600 -11.409 -1.836 1.00 0.00 C ATOM 747 CG ARG A 48 -20.863 -12.388 -2.750 1.00 0.00 C ATOM 748 CD ARG A 48 -21.560 -12.440 -4.112 1.00 0.00 C ATOM 749 NE ARG A 48 -20.533 -12.974 -5.048 1.00 0.00 N ATOM 750 CZ ARG A 48 -20.444 -12.498 -6.260 1.00 0.00 C ATOM 751 NH1 ARG A 48 -19.799 -11.384 -6.477 1.00 0.00 N ATOM 752 NH2 ARG A 48 -21.002 -13.133 -7.254 1.00 0.00 N ATOM 0 H ARG A 48 -22.690 -10.220 0.006 1.00 0.00 H new ATOM 0 HA ARG A 48 -20.863 -12.581 -0.147 1.00 0.00 H new ATOM 0 HB2 ARG A 48 -22.671 -11.612 -1.857 1.00 0.00 H new ATOM 0 HB3 ARG A 48 -21.462 -10.388 -2.192 1.00 0.00 H new ATOM 0 HG2 ARG A 48 -19.826 -12.077 -2.872 1.00 0.00 H new ATOM 0 HG3 ARG A 48 -20.847 -13.381 -2.300 1.00 0.00 H new ATOM 0 HD2 ARG A 48 -22.439 -13.083 -4.081 1.00 0.00 H new ATOM 0 HD3 ARG A 48 -21.899 -11.451 -4.420 1.00 0.00 H new ATOM 0 HE ARG A 48 -19.899 -13.712 -4.742 1.00 0.00 H new ATOM 0 HH11 ARG A 48 -19.365 -10.886 -5.700 1.00 0.00 H new ATOM 0 HH12 ARG A 48 -19.729 -11.011 -7.424 1.00 0.00 H new ATOM 0 HH21 ARG A 48 -21.508 -14.002 -7.084 1.00 0.00 H new ATOM 0 HH22 ARG A 48 -20.932 -12.760 -8.201 1.00 0.00 H new ATOM 766 N TRP A 49 -19.835 -9.472 -0.138 1.00 0.00 N ATOM 767 CA TRP A 49 -18.596 -8.647 0.024 1.00 0.00 C ATOM 768 C TRP A 49 -17.872 -9.035 1.319 1.00 0.00 C ATOM 769 O TRP A 49 -16.691 -9.327 1.316 1.00 0.00 O ATOM 770 CB TRP A 49 -19.089 -7.195 0.089 1.00 0.00 C ATOM 771 CG TRP A 49 -17.928 -6.266 0.264 1.00 0.00 C ATOM 772 CD1 TRP A 49 -17.716 -5.485 1.348 1.00 0.00 C ATOM 773 CD2 TRP A 49 -16.820 -6.009 -0.648 1.00 0.00 C ATOM 774 NE1 TRP A 49 -16.550 -4.766 1.162 1.00 0.00 N ATOM 775 CE2 TRP A 49 -15.960 -5.054 -0.054 1.00 0.00 C ATOM 776 CE3 TRP A 49 -16.480 -6.506 -1.919 1.00 0.00 C ATOM 777 CZ2 TRP A 49 -14.806 -4.608 -0.697 1.00 0.00 C ATOM 778 CZ3 TRP A 49 -15.318 -6.059 -2.569 1.00 0.00 C ATOM 779 CH2 TRP A 49 -14.483 -5.112 -1.960 1.00 0.00 C ATOM 0 H TRP A 49 -20.707 -8.942 -0.152 1.00 0.00 H new ATOM 0 HA TRP A 49 -17.888 -8.796 -0.791 1.00 0.00 H new ATOM 0 HB2 TRP A 49 -19.631 -6.945 -0.823 1.00 0.00 H new ATOM 0 HB3 TRP A 49 -19.788 -7.077 0.917 1.00 0.00 H new ATOM 0 HD1 TRP A 49 -18.354 -5.432 2.218 1.00 0.00 H new ATOM 0 HE1 TRP A 49 -16.172 -4.104 1.839 1.00 0.00 H new ATOM 0 HE3 TRP A 49 -17.116 -7.236 -2.398 1.00 0.00 H new ATOM 0 HZ2 TRP A 49 -14.166 -3.878 -0.223 1.00 0.00 H new ATOM 0 HZ3 TRP A 49 -15.066 -6.448 -3.545 1.00 0.00 H new ATOM 0 HH2 TRP A 49 -13.591 -4.772 -2.466 1.00 0.00 H new ATOM 790 N LYS A 50 -18.574 -9.033 2.422 1.00 0.00 N ATOM 791 CA LYS A 50 -17.933 -9.396 3.725 1.00 0.00 C ATOM 792 C LYS A 50 -17.436 -10.846 3.694 1.00 0.00 C ATOM 793 O LYS A 50 -16.512 -11.205 4.399 1.00 0.00 O ATOM 794 CB LYS A 50 -19.033 -9.225 4.776 1.00 0.00 C ATOM 795 CG LYS A 50 -19.032 -7.783 5.283 1.00 0.00 C ATOM 796 CD LYS A 50 -20.201 -7.578 6.247 1.00 0.00 C ATOM 797 CE LYS A 50 -19.908 -8.297 7.566 1.00 0.00 C ATOM 798 NZ LYS A 50 -20.846 -7.690 8.551 1.00 0.00 N ATOM 0 H LYS A 50 -19.564 -8.796 2.479 1.00 0.00 H new ATOM 0 HA LYS A 50 -17.066 -8.772 3.940 1.00 0.00 H new ATOM 0 HB2 LYS A 50 -20.004 -9.470 4.345 1.00 0.00 H new ATOM 0 HB3 LYS A 50 -18.869 -9.914 5.605 1.00 0.00 H new ATOM 0 HG2 LYS A 50 -18.090 -7.564 5.786 1.00 0.00 H new ATOM 0 HG3 LYS A 50 -19.114 -7.092 4.444 1.00 0.00 H new ATOM 0 HD2 LYS A 50 -20.355 -6.514 6.427 1.00 0.00 H new ATOM 0 HD3 LYS A 50 -21.121 -7.963 5.807 1.00 0.00 H new ATOM 0 HE2 LYS A 50 -20.071 -9.371 7.475 1.00 0.00 H new ATOM 0 HE3 LYS A 50 -18.871 -8.157 7.870 1.00 0.00 H new ATOM 0 HZ1 LYS A 50 -20.706 -8.132 9.482 1.00 0.00 H new ATOM 0 HZ2 LYS A 50 -20.663 -6.669 8.621 1.00 0.00 H new ATOM 0 HZ3 LYS A 50 -21.826 -7.845 8.238 1.00 0.00 H new ATOM 812 N THR A 51 -18.041 -11.677 2.882 1.00 0.00 N ATOM 813 CA THR A 51 -17.607 -13.104 2.802 1.00 0.00 C ATOM 814 C THR A 51 -16.613 -13.312 1.648 1.00 0.00 C ATOM 815 O THR A 51 -15.950 -14.329 1.574 1.00 0.00 O ATOM 816 CB THR A 51 -18.891 -13.894 2.549 1.00 0.00 C ATOM 817 OG1 THR A 51 -19.528 -13.395 1.383 1.00 0.00 O ATOM 818 CG2 THR A 51 -19.827 -13.748 3.748 1.00 0.00 C ATOM 0 H THR A 51 -18.818 -11.427 2.270 1.00 0.00 H new ATOM 0 HA THR A 51 -17.097 -13.424 3.711 1.00 0.00 H new ATOM 0 HB THR A 51 -18.649 -14.947 2.408 1.00 0.00 H new ATOM 0 HG1 THR A 51 -20.487 -13.290 1.554 1.00 0.00 H new ATOM 0 HG21 THR A 51 -20.742 -14.312 3.566 1.00 0.00 H new ATOM 0 HG22 THR A 51 -19.336 -14.132 4.642 1.00 0.00 H new ATOM 0 HG23 THR A 51 -20.072 -12.696 3.892 1.00 0.00 H new ATOM 826 N MET A 52 -16.504 -12.362 0.746 1.00 0.00 N ATOM 827 CA MET A 52 -15.550 -12.512 -0.402 1.00 0.00 C ATOM 828 C MET A 52 -14.127 -12.759 0.109 1.00 0.00 C ATOM 829 O MET A 52 -13.822 -12.513 1.262 1.00 0.00 O ATOM 830 CB MET A 52 -15.622 -11.184 -1.162 1.00 0.00 C ATOM 831 CG MET A 52 -16.728 -11.255 -2.223 1.00 0.00 C ATOM 832 SD MET A 52 -16.007 -11.628 -3.843 1.00 0.00 S ATOM 833 CE MET A 52 -15.844 -9.918 -4.414 1.00 0.00 C ATOM 0 H MET A 52 -17.034 -11.491 0.756 1.00 0.00 H new ATOM 0 HA MET A 52 -15.809 -13.360 -1.036 1.00 0.00 H new ATOM 0 HB2 MET A 52 -15.822 -10.367 -0.468 1.00 0.00 H new ATOM 0 HB3 MET A 52 -14.663 -10.972 -1.636 1.00 0.00 H new ATOM 0 HG2 MET A 52 -17.454 -12.022 -1.953 1.00 0.00 H new ATOM 0 HG3 MET A 52 -17.266 -10.308 -2.264 1.00 0.00 H new ATOM 0 HE1 MET A 52 -15.971 -9.882 -5.496 1.00 0.00 H new ATOM 0 HE2 MET A 52 -16.607 -9.301 -3.939 1.00 0.00 H new ATOM 0 HE3 MET A 52 -14.856 -9.539 -4.152 1.00 0.00 H new ATOM 843 N SER A 53 -13.259 -13.247 -0.739 1.00 0.00 N ATOM 844 CA SER A 53 -11.854 -13.518 -0.311 1.00 0.00 C ATOM 845 C SER A 53 -10.971 -12.294 -0.568 1.00 0.00 C ATOM 846 O SER A 53 -11.413 -11.307 -1.127 1.00 0.00 O ATOM 847 CB SER A 53 -11.399 -14.697 -1.170 1.00 0.00 C ATOM 848 OG SER A 53 -12.185 -15.839 -0.854 1.00 0.00 O ATOM 0 H SER A 53 -13.464 -13.470 -1.713 1.00 0.00 H new ATOM 0 HA SER A 53 -11.785 -13.737 0.754 1.00 0.00 H new ATOM 0 HB2 SER A 53 -11.501 -14.452 -2.227 1.00 0.00 H new ATOM 0 HB3 SER A 53 -10.344 -14.906 -0.991 1.00 0.00 H new ATOM 0 HG SER A 53 -11.897 -16.597 -1.405 1.00 0.00 H new ATOM 854 N ALA A 54 -9.727 -12.357 -0.167 1.00 0.00 N ATOM 855 CA ALA A 54 -8.803 -11.202 -0.383 1.00 0.00 C ATOM 856 C ALA A 54 -8.416 -11.098 -1.863 1.00 0.00 C ATOM 857 O ALA A 54 -8.067 -10.036 -2.344 1.00 0.00 O ATOM 858 CB ALA A 54 -7.571 -11.508 0.471 1.00 0.00 C ATOM 0 H ALA A 54 -9.310 -13.161 0.302 1.00 0.00 H new ATOM 0 HA ALA A 54 -9.264 -10.253 -0.108 1.00 0.00 H new ATOM 0 HB1 ALA A 54 -6.845 -10.702 0.364 1.00 0.00 H new ATOM 0 HB2 ALA A 54 -7.866 -11.595 1.517 1.00 0.00 H new ATOM 0 HB3 ALA A 54 -7.123 -12.446 0.141 1.00 0.00 H new ATOM 864 N LYS A 55 -8.478 -12.190 -2.586 1.00 0.00 N ATOM 865 CA LYS A 55 -8.116 -12.152 -4.037 1.00 0.00 C ATOM 866 C LYS A 55 -9.156 -11.339 -4.808 1.00 0.00 C ATOM 867 O LYS A 55 -8.848 -10.689 -5.789 1.00 0.00 O ATOM 868 CB LYS A 55 -8.128 -13.612 -4.496 1.00 0.00 C ATOM 869 CG LYS A 55 -6.916 -14.341 -3.915 1.00 0.00 C ATOM 870 CD LYS A 55 -6.508 -15.479 -4.851 1.00 0.00 C ATOM 871 CE LYS A 55 -5.647 -14.923 -5.988 1.00 0.00 C ATOM 872 NZ LYS A 55 -5.197 -16.120 -6.751 1.00 0.00 N ATOM 0 H LYS A 55 -8.763 -13.104 -2.235 1.00 0.00 H new ATOM 0 HA LYS A 55 -7.146 -11.685 -4.210 1.00 0.00 H new ATOM 0 HB2 LYS A 55 -9.048 -14.098 -4.172 1.00 0.00 H new ATOM 0 HB3 LYS A 55 -8.108 -13.662 -5.585 1.00 0.00 H new ATOM 0 HG2 LYS A 55 -6.086 -13.645 -3.788 1.00 0.00 H new ATOM 0 HG3 LYS A 55 -7.155 -14.736 -2.928 1.00 0.00 H new ATOM 0 HD2 LYS A 55 -5.953 -16.237 -4.298 1.00 0.00 H new ATOM 0 HD3 LYS A 55 -7.395 -15.966 -5.257 1.00 0.00 H new ATOM 0 HE2 LYS A 55 -6.219 -14.244 -6.620 1.00 0.00 H new ATOM 0 HE3 LYS A 55 -4.798 -14.359 -5.601 1.00 0.00 H new ATOM 0 HZ1 LYS A 55 -4.601 -15.819 -7.548 1.00 0.00 H new ATOM 0 HZ2 LYS A 55 -4.650 -16.745 -6.125 1.00 0.00 H new ATOM 0 HZ3 LYS A 55 -6.026 -16.633 -7.113 1.00 0.00 H new ATOM 886 N GLU A 56 -10.385 -11.371 -4.364 1.00 0.00 N ATOM 887 CA GLU A 56 -11.461 -10.603 -5.053 1.00 0.00 C ATOM 888 C GLU A 56 -11.611 -9.224 -4.409 1.00 0.00 C ATOM 889 O GLU A 56 -11.815 -8.232 -5.082 1.00 0.00 O ATOM 890 CB GLU A 56 -12.727 -11.433 -4.850 1.00 0.00 C ATOM 891 CG GLU A 56 -12.731 -12.601 -5.837 1.00 0.00 C ATOM 892 CD GLU A 56 -14.132 -13.214 -5.898 1.00 0.00 C ATOM 893 OE1 GLU A 56 -14.936 -12.730 -6.677 1.00 0.00 O ATOM 894 OE2 GLU A 56 -14.376 -14.156 -5.163 1.00 0.00 O ATOM 0 H GLU A 56 -10.691 -11.900 -3.547 1.00 0.00 H new ATOM 0 HA GLU A 56 -11.248 -10.440 -6.109 1.00 0.00 H new ATOM 0 HB2 GLU A 56 -12.770 -11.807 -3.827 1.00 0.00 H new ATOM 0 HB3 GLU A 56 -13.610 -10.812 -5.000 1.00 0.00 H new ATOM 0 HG2 GLU A 56 -12.430 -12.256 -6.826 1.00 0.00 H new ATOM 0 HG3 GLU A 56 -12.006 -13.354 -5.528 1.00 0.00 H new ATOM 901 N LYS A 57 -11.505 -9.161 -3.106 1.00 0.00 N ATOM 902 CA LYS A 57 -11.634 -7.849 -2.400 1.00 0.00 C ATOM 903 C LYS A 57 -10.508 -6.901 -2.828 1.00 0.00 C ATOM 904 O LYS A 57 -10.630 -5.695 -2.716 1.00 0.00 O ATOM 905 CB LYS A 57 -11.516 -8.182 -0.909 1.00 0.00 C ATOM 906 CG LYS A 57 -12.912 -8.281 -0.292 1.00 0.00 C ATOM 907 CD LYS A 57 -12.818 -8.078 1.221 1.00 0.00 C ATOM 908 CE LYS A 57 -14.127 -8.518 1.879 1.00 0.00 C ATOM 909 NZ LYS A 57 -13.822 -8.588 3.335 1.00 0.00 N ATOM 0 H LYS A 57 -11.334 -9.963 -2.499 1.00 0.00 H new ATOM 0 HA LYS A 57 -12.575 -7.350 -2.632 1.00 0.00 H new ATOM 0 HB2 LYS A 57 -10.982 -9.123 -0.778 1.00 0.00 H new ATOM 0 HB3 LYS A 57 -10.936 -7.413 -0.399 1.00 0.00 H new ATOM 0 HG2 LYS A 57 -13.569 -7.529 -0.730 1.00 0.00 H new ATOM 0 HG3 LYS A 57 -13.350 -9.254 -0.512 1.00 0.00 H new ATOM 0 HD2 LYS A 57 -11.985 -8.653 1.624 1.00 0.00 H new ATOM 0 HD3 LYS A 57 -12.620 -7.030 1.446 1.00 0.00 H new ATOM 0 HE2 LYS A 57 -14.928 -7.807 1.677 1.00 0.00 H new ATOM 0 HE3 LYS A 57 -14.455 -9.485 1.498 1.00 0.00 H new ATOM 0 HZ1 LYS A 57 -14.673 -8.884 3.854 1.00 0.00 H new ATOM 0 HZ2 LYS A 57 -13.060 -9.277 3.497 1.00 0.00 H new ATOM 0 HZ3 LYS A 57 -13.519 -7.652 3.672 1.00 0.00 H new ATOM 923 N SER A 58 -9.413 -7.435 -3.313 1.00 0.00 N ATOM 924 CA SER A 58 -8.278 -6.564 -3.746 1.00 0.00 C ATOM 925 C SER A 58 -8.575 -5.947 -5.115 1.00 0.00 C ATOM 926 O SER A 58 -8.138 -4.853 -5.419 1.00 0.00 O ATOM 927 CB SER A 58 -7.068 -7.495 -3.829 1.00 0.00 C ATOM 928 OG SER A 58 -7.374 -8.587 -4.688 1.00 0.00 O ATOM 0 H SER A 58 -9.257 -8.437 -3.427 1.00 0.00 H new ATOM 0 HA SER A 58 -8.108 -5.738 -3.056 1.00 0.00 H new ATOM 0 HB2 SER A 58 -6.202 -6.952 -4.207 1.00 0.00 H new ATOM 0 HB3 SER A 58 -6.807 -7.860 -2.836 1.00 0.00 H new ATOM 0 HG SER A 58 -7.540 -9.389 -4.150 1.00 0.00 H new ATOM 934 N LYS A 59 -9.314 -6.643 -5.942 1.00 0.00 N ATOM 935 CA LYS A 59 -9.643 -6.101 -7.297 1.00 0.00 C ATOM 936 C LYS A 59 -10.457 -4.811 -7.167 1.00 0.00 C ATOM 937 O LYS A 59 -10.390 -3.937 -8.011 1.00 0.00 O ATOM 938 CB LYS A 59 -10.472 -7.191 -7.979 1.00 0.00 C ATOM 939 CG LYS A 59 -10.561 -6.902 -9.478 1.00 0.00 C ATOM 940 CD LYS A 59 -11.087 -8.140 -10.208 1.00 0.00 C ATOM 941 CE LYS A 59 -12.612 -8.192 -10.091 1.00 0.00 C ATOM 942 NZ LYS A 59 -13.051 -9.094 -11.193 1.00 0.00 N ATOM 0 H LYS A 59 -9.704 -7.563 -5.738 1.00 0.00 H new ATOM 0 HA LYS A 59 -8.747 -5.857 -7.869 1.00 0.00 H new ATOM 0 HB2 LYS A 59 -10.016 -8.167 -7.813 1.00 0.00 H new ATOM 0 HB3 LYS A 59 -11.471 -7.228 -7.545 1.00 0.00 H new ATOM 0 HG2 LYS A 59 -11.222 -6.054 -9.657 1.00 0.00 H new ATOM 0 HG3 LYS A 59 -9.579 -6.629 -9.865 1.00 0.00 H new ATOM 0 HD2 LYS A 59 -10.793 -8.109 -11.257 1.00 0.00 H new ATOM 0 HD3 LYS A 59 -10.648 -9.041 -9.780 1.00 0.00 H new ATOM 0 HE2 LYS A 59 -12.921 -8.577 -9.119 1.00 0.00 H new ATOM 0 HE3 LYS A 59 -13.050 -7.199 -10.195 1.00 0.00 H new ATOM 0 HZ1 LYS A 59 -14.087 -9.180 -11.179 1.00 0.00 H new ATOM 0 HZ2 LYS A 59 -12.749 -8.699 -12.106 1.00 0.00 H new ATOM 0 HZ3 LYS A 59 -12.624 -10.033 -11.064 1.00 0.00 H new ATOM 956 N PHE A 60 -11.225 -4.689 -6.114 1.00 0.00 N ATOM 957 CA PHE A 60 -12.049 -3.459 -5.919 1.00 0.00 C ATOM 958 C PHE A 60 -11.255 -2.409 -5.136 1.00 0.00 C ATOM 959 O PHE A 60 -11.460 -1.220 -5.292 1.00 0.00 O ATOM 960 CB PHE A 60 -13.265 -3.920 -5.115 1.00 0.00 C ATOM 961 CG PHE A 60 -14.245 -4.607 -6.036 1.00 0.00 C ATOM 962 CD1 PHE A 60 -15.120 -3.846 -6.821 1.00 0.00 C ATOM 963 CD2 PHE A 60 -14.281 -6.005 -6.103 1.00 0.00 C ATOM 964 CE1 PHE A 60 -16.029 -4.484 -7.673 1.00 0.00 C ATOM 965 CE2 PHE A 60 -15.189 -6.642 -6.956 1.00 0.00 C ATOM 966 CZ PHE A 60 -16.064 -5.881 -7.741 1.00 0.00 C ATOM 0 H PHE A 60 -11.317 -5.391 -5.379 1.00 0.00 H new ATOM 0 HA PHE A 60 -12.336 -3.000 -6.865 1.00 0.00 H new ATOM 0 HB2 PHE A 60 -12.954 -4.602 -4.323 1.00 0.00 H new ATOM 0 HB3 PHE A 60 -13.740 -3.066 -4.632 1.00 0.00 H new ATOM 0 HD1 PHE A 60 -15.093 -2.768 -6.769 1.00 0.00 H new ATOM 0 HD2 PHE A 60 -13.608 -6.592 -5.496 1.00 0.00 H new ATOM 0 HE1 PHE A 60 -16.704 -3.897 -8.278 1.00 0.00 H new ATOM 0 HE2 PHE A 60 -15.215 -7.720 -7.009 1.00 0.00 H new ATOM 0 HZ PHE A 60 -16.766 -6.372 -8.399 1.00 0.00 H new ATOM 976 N GLU A 61 -10.349 -2.843 -4.296 1.00 0.00 N ATOM 977 CA GLU A 61 -9.535 -1.877 -3.498 1.00 0.00 C ATOM 978 C GLU A 61 -8.424 -1.279 -4.365 1.00 0.00 C ATOM 979 O GLU A 61 -7.992 -0.163 -4.150 1.00 0.00 O ATOM 980 CB GLU A 61 -8.938 -2.705 -2.357 1.00 0.00 C ATOM 981 CG GLU A 61 -10.005 -2.947 -1.288 1.00 0.00 C ATOM 982 CD GLU A 61 -9.410 -3.780 -0.152 1.00 0.00 C ATOM 983 OE1 GLU A 61 -8.500 -3.294 0.500 1.00 0.00 O ATOM 984 OE2 GLU A 61 -9.874 -4.890 0.048 1.00 0.00 O ATOM 0 H GLU A 61 -10.138 -3.827 -4.129 1.00 0.00 H new ATOM 0 HA GLU A 61 -10.132 -1.044 -3.127 1.00 0.00 H new ATOM 0 HB2 GLU A 61 -8.569 -3.657 -2.739 1.00 0.00 H new ATOM 0 HB3 GLU A 61 -8.085 -2.183 -1.923 1.00 0.00 H new ATOM 0 HG2 GLU A 61 -10.371 -1.995 -0.902 1.00 0.00 H new ATOM 0 HG3 GLU A 61 -10.860 -3.464 -1.723 1.00 0.00 H new ATOM 991 N ASP A 62 -7.963 -2.015 -5.344 1.00 0.00 N ATOM 992 CA ASP A 62 -6.880 -1.494 -6.234 1.00 0.00 C ATOM 993 C ASP A 62 -7.436 -0.415 -7.165 1.00 0.00 C ATOM 994 O ASP A 62 -6.727 0.486 -7.576 1.00 0.00 O ATOM 995 CB ASP A 62 -6.404 -2.705 -7.041 1.00 0.00 C ATOM 996 CG ASP A 62 -5.051 -2.393 -7.681 1.00 0.00 C ATOM 997 OD1 ASP A 62 -5.036 -1.678 -8.670 1.00 0.00 O ATOM 998 OD2 ASP A 62 -4.052 -2.873 -7.172 1.00 0.00 O ATOM 0 H ASP A 62 -8.290 -2.955 -5.566 1.00 0.00 H new ATOM 0 HA ASP A 62 -6.067 -1.040 -5.668 1.00 0.00 H new ATOM 0 HB2 ASP A 62 -6.319 -3.577 -6.392 1.00 0.00 H new ATOM 0 HB3 ASP A 62 -7.134 -2.951 -7.812 1.00 0.00 H new ATOM 1003 N MET A 63 -8.699 -0.499 -7.497 1.00 0.00 N ATOM 1004 CA MET A 63 -9.312 0.520 -8.401 1.00 0.00 C ATOM 1005 C MET A 63 -9.719 1.758 -7.600 1.00 0.00 C ATOM 1006 O MET A 63 -9.728 2.864 -8.110 1.00 0.00 O ATOM 1007 CB MET A 63 -10.545 -0.165 -8.994 1.00 0.00 C ATOM 1008 CG MET A 63 -10.114 -1.110 -10.117 1.00 0.00 C ATOM 1009 SD MET A 63 -9.600 -0.141 -11.557 1.00 0.00 S ATOM 1010 CE MET A 63 -11.211 -0.086 -12.381 1.00 0.00 C ATOM 0 H MET A 63 -9.334 -1.232 -7.180 1.00 0.00 H new ATOM 0 HA MET A 63 -8.621 0.855 -9.175 1.00 0.00 H new ATOM 0 HB2 MET A 63 -11.073 -0.721 -8.219 1.00 0.00 H new ATOM 0 HB3 MET A 63 -11.239 0.582 -9.379 1.00 0.00 H new ATOM 0 HG2 MET A 63 -9.293 -1.743 -9.779 1.00 0.00 H new ATOM 0 HG3 MET A 63 -10.937 -1.772 -10.386 1.00 0.00 H new ATOM 0 HE1 MET A 63 -11.125 0.476 -13.311 1.00 0.00 H new ATOM 0 HE2 MET A 63 -11.543 -1.101 -12.599 1.00 0.00 H new ATOM 0 HE3 MET A 63 -11.937 0.401 -11.729 1.00 0.00 H new ATOM 1020 N ALA A 64 -10.056 1.580 -6.347 1.00 0.00 N ATOM 1021 CA ALA A 64 -10.464 2.743 -5.502 1.00 0.00 C ATOM 1022 C ALA A 64 -9.224 3.471 -4.976 1.00 0.00 C ATOM 1023 O ALA A 64 -9.225 4.678 -4.816 1.00 0.00 O ATOM 1024 CB ALA A 64 -11.260 2.135 -4.347 1.00 0.00 C ATOM 0 H ALA A 64 -10.066 0.677 -5.872 1.00 0.00 H new ATOM 0 HA ALA A 64 -11.051 3.474 -6.059 1.00 0.00 H new ATOM 0 HB1 ALA A 64 -11.596 2.928 -3.679 1.00 0.00 H new ATOM 0 HB2 ALA A 64 -12.125 1.602 -4.742 1.00 0.00 H new ATOM 0 HB3 ALA A 64 -10.627 1.440 -3.795 1.00 0.00 H new ATOM 1030 N LYS A 65 -8.168 2.745 -4.708 1.00 0.00 N ATOM 1031 CA LYS A 65 -6.921 3.389 -4.193 1.00 0.00 C ATOM 1032 C LYS A 65 -6.314 4.294 -5.268 1.00 0.00 C ATOM 1033 O LYS A 65 -5.736 5.323 -4.971 1.00 0.00 O ATOM 1034 CB LYS A 65 -5.973 2.232 -3.868 1.00 0.00 C ATOM 1035 CG LYS A 65 -4.737 2.771 -3.145 1.00 0.00 C ATOM 1036 CD LYS A 65 -5.088 3.060 -1.683 1.00 0.00 C ATOM 1037 CE LYS A 65 -4.895 1.789 -0.852 1.00 0.00 C ATOM 1038 NZ LYS A 65 -5.489 2.107 0.477 1.00 0.00 N ATOM 0 H LYS A 65 -8.115 1.733 -4.824 1.00 0.00 H new ATOM 0 HA LYS A 65 -7.111 4.012 -3.319 1.00 0.00 H new ATOM 0 HB2 LYS A 65 -6.481 1.497 -3.244 1.00 0.00 H new ATOM 0 HB3 LYS A 65 -5.677 1.722 -4.785 1.00 0.00 H new ATOM 0 HG2 LYS A 65 -3.925 2.045 -3.199 1.00 0.00 H new ATOM 0 HG3 LYS A 65 -4.385 3.680 -3.632 1.00 0.00 H new ATOM 0 HD2 LYS A 65 -4.455 3.859 -1.297 1.00 0.00 H new ATOM 0 HD3 LYS A 65 -6.119 3.404 -1.607 1.00 0.00 H new ATOM 0 HE2 LYS A 65 -5.392 0.936 -1.313 1.00 0.00 H new ATOM 0 HE3 LYS A 65 -3.840 1.532 -0.762 1.00 0.00 H new ATOM 0 HZ1 LYS A 65 -5.396 1.283 1.105 1.00 0.00 H new ATOM 0 HZ2 LYS A 65 -4.991 2.919 0.895 1.00 0.00 H new ATOM 0 HZ3 LYS A 65 -6.496 2.341 0.360 1.00 0.00 H new ATOM 1052 N SER A 66 -6.443 3.915 -6.514 1.00 0.00 N ATOM 1053 CA SER A 66 -5.877 4.749 -7.619 1.00 0.00 C ATOM 1054 C SER A 66 -6.674 6.048 -7.759 1.00 0.00 C ATOM 1055 O SER A 66 -6.144 7.073 -8.145 1.00 0.00 O ATOM 1056 CB SER A 66 -6.017 3.897 -8.881 1.00 0.00 C ATOM 1057 OG SER A 66 -5.436 4.586 -9.980 1.00 0.00 O ATOM 0 H SER A 66 -6.916 3.063 -6.815 1.00 0.00 H new ATOM 0 HA SER A 66 -4.840 5.028 -7.433 1.00 0.00 H new ATOM 0 HB2 SER A 66 -5.526 2.934 -8.740 1.00 0.00 H new ATOM 0 HB3 SER A 66 -7.069 3.692 -9.080 1.00 0.00 H new ATOM 0 HG SER A 66 -5.523 4.042 -10.790 1.00 0.00 H new ATOM 1063 N ASP A 67 -7.945 6.009 -7.444 1.00 0.00 N ATOM 1064 CA ASP A 67 -8.787 7.237 -7.553 1.00 0.00 C ATOM 1065 C ASP A 67 -8.601 8.115 -6.312 1.00 0.00 C ATOM 1066 O ASP A 67 -8.624 9.329 -6.392 1.00 0.00 O ATOM 1067 CB ASP A 67 -10.226 6.727 -7.639 1.00 0.00 C ATOM 1068 CG ASP A 67 -10.501 6.209 -9.052 1.00 0.00 C ATOM 1069 OD1 ASP A 67 -9.986 5.155 -9.386 1.00 0.00 O ATOM 1070 OD2 ASP A 67 -11.221 6.877 -9.776 1.00 0.00 O ATOM 0 H ASP A 67 -8.435 5.177 -7.116 1.00 0.00 H new ATOM 0 HA ASP A 67 -8.520 7.846 -8.417 1.00 0.00 H new ATOM 0 HB2 ASP A 67 -10.385 5.931 -6.911 1.00 0.00 H new ATOM 0 HB3 ASP A 67 -10.922 7.528 -7.392 1.00 0.00 H new ATOM 1075 N LYS A 68 -8.418 7.506 -5.168 1.00 0.00 N ATOM 1076 CA LYS A 68 -8.227 8.298 -3.912 1.00 0.00 C ATOM 1077 C LYS A 68 -6.996 9.200 -4.034 1.00 0.00 C ATOM 1078 O LYS A 68 -7.005 10.338 -3.605 1.00 0.00 O ATOM 1079 CB LYS A 68 -8.023 7.259 -2.806 1.00 0.00 C ATOM 1080 CG LYS A 68 -8.553 7.810 -1.481 1.00 0.00 C ATOM 1081 CD LYS A 68 -7.454 8.616 -0.786 1.00 0.00 C ATOM 1082 CE LYS A 68 -8.011 9.241 0.495 1.00 0.00 C ATOM 1083 NZ LYS A 68 -8.097 8.115 1.465 1.00 0.00 N ATOM 0 H LYS A 68 -8.392 6.493 -5.048 1.00 0.00 H new ATOM 0 HA LYS A 68 -9.078 8.948 -3.706 1.00 0.00 H new ATOM 0 HB2 LYS A 68 -8.542 6.335 -3.061 1.00 0.00 H new ATOM 0 HB3 LYS A 68 -6.965 7.015 -2.713 1.00 0.00 H new ATOM 0 HG2 LYS A 68 -9.423 8.441 -1.660 1.00 0.00 H new ATOM 0 HG3 LYS A 68 -8.879 6.992 -0.839 1.00 0.00 H new ATOM 0 HD2 LYS A 68 -6.609 7.970 -0.550 1.00 0.00 H new ATOM 0 HD3 LYS A 68 -7.083 9.395 -1.452 1.00 0.00 H new ATOM 0 HE2 LYS A 68 -7.358 10.032 0.865 1.00 0.00 H new ATOM 0 HE3 LYS A 68 -8.989 9.690 0.323 1.00 0.00 H new ATOM 0 HZ1 LYS A 68 -9.082 8.003 1.781 1.00 0.00 H new ATOM 0 HZ2 LYS A 68 -7.779 7.237 1.007 1.00 0.00 H new ATOM 0 HZ3 LYS A 68 -7.491 8.317 2.286 1.00 0.00 H new ATOM 1097 N ALA A 69 -5.939 8.697 -4.622 1.00 0.00 N ATOM 1098 CA ALA A 69 -4.702 9.523 -4.780 1.00 0.00 C ATOM 1099 C ALA A 69 -4.926 10.600 -5.844 1.00 0.00 C ATOM 1100 O ALA A 69 -4.578 11.750 -5.657 1.00 0.00 O ATOM 1101 CB ALA A 69 -3.617 8.542 -5.228 1.00 0.00 C ATOM 0 H ALA A 69 -5.879 7.751 -4.999 1.00 0.00 H new ATOM 0 HA ALA A 69 -4.426 10.035 -3.858 1.00 0.00 H new ATOM 0 HB1 ALA A 69 -2.677 9.077 -5.365 1.00 0.00 H new ATOM 0 HB2 ALA A 69 -3.488 7.770 -4.469 1.00 0.00 H new ATOM 0 HB3 ALA A 69 -3.912 8.079 -6.170 1.00 0.00 H new ATOM 1107 N ARG A 70 -5.512 10.231 -6.955 1.00 0.00 N ATOM 1108 CA ARG A 70 -5.771 11.231 -8.038 1.00 0.00 C ATOM 1109 C ARG A 70 -6.784 12.286 -7.569 1.00 0.00 C ATOM 1110 O ARG A 70 -6.941 13.319 -8.193 1.00 0.00 O ATOM 1111 CB ARG A 70 -6.342 10.423 -9.205 1.00 0.00 C ATOM 1112 CG ARG A 70 -5.885 11.042 -10.528 1.00 0.00 C ATOM 1113 CD ARG A 70 -5.872 9.969 -11.618 1.00 0.00 C ATOM 1114 NE ARG A 70 -4.671 9.138 -11.326 1.00 0.00 N ATOM 1115 CZ ARG A 70 -3.802 8.893 -12.269 1.00 0.00 C ATOM 1116 NH1 ARG A 70 -2.876 9.769 -12.546 1.00 0.00 N ATOM 1117 NH2 ARG A 70 -3.858 7.771 -12.932 1.00 0.00 N ATOM 0 H ARG A 70 -5.823 9.281 -7.160 1.00 0.00 H new ATOM 0 HA ARG A 70 -4.865 11.768 -8.319 1.00 0.00 H new ATOM 0 HB2 ARG A 70 -6.008 9.387 -9.142 1.00 0.00 H new ATOM 0 HB3 ARG A 70 -7.431 10.411 -9.154 1.00 0.00 H new ATOM 0 HG2 ARG A 70 -6.554 11.855 -10.811 1.00 0.00 H new ATOM 0 HG3 ARG A 70 -4.890 11.473 -10.415 1.00 0.00 H new ATOM 0 HD2 ARG A 70 -6.782 9.370 -11.593 1.00 0.00 H new ATOM 0 HD3 ARG A 70 -5.811 10.415 -12.611 1.00 0.00 H new ATOM 0 HE ARG A 70 -4.527 8.760 -10.389 1.00 0.00 H new ATOM 0 HH11 ARG A 70 -2.831 10.645 -12.026 1.00 0.00 H new ATOM 0 HH12 ARG A 70 -2.197 9.578 -13.283 1.00 0.00 H new ATOM 0 HH21 ARG A 70 -4.581 7.085 -12.714 1.00 0.00 H new ATOM 0 HH22 ARG A 70 -3.179 7.580 -13.669 1.00 0.00 H new ATOM 1131 N TYR A 71 -7.475 12.037 -6.479 1.00 0.00 N ATOM 1132 CA TYR A 71 -8.476 13.025 -5.975 1.00 0.00 C ATOM 1133 C TYR A 71 -7.840 13.951 -4.929 1.00 0.00 C ATOM 1134 O TYR A 71 -8.524 14.509 -4.090 1.00 0.00 O ATOM 1135 CB TYR A 71 -9.579 12.173 -5.334 1.00 0.00 C ATOM 1136 CG TYR A 71 -10.812 12.185 -6.208 1.00 0.00 C ATOM 1137 CD1 TYR A 71 -11.483 13.388 -6.459 1.00 0.00 C ATOM 1138 CD2 TYR A 71 -11.286 10.991 -6.767 1.00 0.00 C ATOM 1139 CE1 TYR A 71 -12.625 13.398 -7.269 1.00 0.00 C ATOM 1140 CE2 TYR A 71 -12.428 11.001 -7.575 1.00 0.00 C ATOM 1141 CZ TYR A 71 -13.097 12.204 -7.826 1.00 0.00 C ATOM 1142 OH TYR A 71 -14.224 12.214 -8.623 1.00 0.00 O ATOM 0 H TYR A 71 -7.386 11.190 -5.918 1.00 0.00 H new ATOM 0 HA TYR A 71 -8.857 13.665 -6.770 1.00 0.00 H new ATOM 0 HB2 TYR A 71 -9.228 11.150 -5.199 1.00 0.00 H new ATOM 0 HB3 TYR A 71 -9.821 12.560 -4.344 1.00 0.00 H new ATOM 0 HD1 TYR A 71 -11.119 14.309 -6.027 1.00 0.00 H new ATOM 0 HD2 TYR A 71 -10.769 10.062 -6.574 1.00 0.00 H new ATOM 0 HE1 TYR A 71 -13.141 14.326 -7.464 1.00 0.00 H new ATOM 0 HE2 TYR A 71 -12.793 10.080 -8.005 1.00 0.00 H new ATOM 0 HH TYR A 71 -14.416 11.303 -8.930 1.00 0.00 H new