USER MOD reduce.3.24.130724 H: found=0, std=0, add=518, rem=0, adj=14 USER MOD reduce.3.24.130724 removed 516 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 15 TYR OH : rot 85:sc= 0.105 USER MOD Set 1.2: A 57 SER OG : rot -52:sc= 0.563 USER MOD Set 2.1: A 13 SER OG : rot -60:sc= -0.679 USER MOD Set 2.2: A 59 GLN : amide:sc= -3.67! C(o=-4.9!,f=-4.7!) USER MOD Set 2.3: A 60 GLN : amide:sc= -0.573 X(o=-4.9,f=-4.7) USER MOD Single : A 11 HIS : no HD1:sc= -0.24 K(o=-0.24,f=-0.93) USER MOD Single : A 14 LYS NZ :NH3+ -103:sc= -0.163 (180deg=-2.15!) USER MOD Single : A 22 LYS NZ :NH3+ 166:sc= -0.211 (180deg=-0.62) USER MOD Single : A 23 ASN : amide:sc= -0.076 X(o=-0.076,f=-0.14) USER MOD Single : A 24 SER OG : rot 180:sc= 0 USER MOD Single : A 29 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 32 THR OG1 : rot 180:sc= 0 USER MOD Single : A 36 HIS : no HD1:sc= 0 X(o=0,f=-0.0022) USER MOD Single : A 38 ASN : amide:sc= -2.03 K(o=-2,f=-0.79) USER MOD Single : A 39 SER OG : rot 180:sc= 0 USER MOD Single : A 40 TYR OH : rot 180:sc= 0 USER MOD Single : A 41 THR OG1 : rot 180:sc= 0 USER MOD Single : A 43 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 46 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 51 TYR OH : rot 75:sc= 0.46 USER MOD Single : A 54 GLN : amide:sc= -3.47 K(o=-3.5,f=-5!) USER MOD Single : A 61 TYR OH : rot 180:sc= 0 USER MOD Single : A 63 HIS : no HD1:sc= -0.213 X(o=-0.21,f=-0.44) USER MOD Single : A 64 GLN : amide:sc= -2.06! C(o=-2.1!,f=-1.6!) USER MOD Single : A 67 THR OG1 : rot 116:sc= 0.174 USER MOD Single : A 72 THR OG1 : rot -110:sc= -0.355 USER MOD ----------------------------------------------------------------- ATOM 142 N HIS A 11 -2.276 -15.638 -1.509 1.00 0.00 N ATOM 143 CA HIS A 11 -1.819 -14.415 -0.863 1.00 0.00 C ATOM 144 C HIS A 11 -0.327 -14.482 -0.557 1.00 0.00 C ATOM 145 O HIS A 11 0.292 -15.543 -0.652 1.00 0.00 O ATOM 146 CB HIS A 11 -2.607 -14.158 0.425 1.00 0.00 C ATOM 147 CG HIS A 11 -2.953 -15.404 1.183 1.00 0.00 C ATOM 148 ND1 HIS A 11 -3.966 -16.234 0.772 1.00 0.00 N ATOM 149 CD2 HIS A 11 -2.400 -15.905 2.315 1.00 0.00 C ATOM 150 CE1 HIS A 11 -4.010 -17.216 1.655 1.00 0.00 C ATOM 151 NE2 HIS A 11 -3.079 -17.059 2.609 1.00 0.00 N ATOM 0 HA HIS A 11 -1.993 -13.589 -1.553 1.00 0.00 H new ATOM 0 HB2 HIS A 11 -2.024 -13.501 1.071 1.00 0.00 H new ATOM 0 HB3 HIS A 11 -3.527 -13.628 0.177 1.00 0.00 H new ATOM 0 HD2 HIS A 11 -1.583 -15.478 2.877 1.00 0.00 H new ATOM 0 HE1 HIS A 11 -4.707 -18.040 1.614 1.00 0.00 H new ATOM 0 HE2 HIS A 11 -2.909 -17.679 3.401 1.00 0.00 H new ATOM 159 N ILE A 12 0.241 -13.338 -0.193 1.00 0.00 N ATOM 160 CA ILE A 12 1.661 -13.247 0.127 1.00 0.00 C ATOM 161 C ILE A 12 1.890 -13.337 1.633 1.00 0.00 C ATOM 162 O ILE A 12 1.029 -12.942 2.421 1.00 0.00 O ATOM 163 CB ILE A 12 2.255 -11.919 -0.394 1.00 0.00 C ATOM 164 CG1 ILE A 12 3.717 -11.771 0.032 1.00 0.00 C ATOM 165 CG2 ILE A 12 1.434 -10.742 0.108 1.00 0.00 C ATOM 166 CD1 ILE A 12 4.692 -11.834 -1.123 1.00 0.00 C ATOM 0 H ILE A 12 -0.264 -12.455 -0.112 1.00 0.00 H new ATOM 0 HA ILE A 12 2.159 -14.084 -0.361 1.00 0.00 H new ATOM 0 HB ILE A 12 2.219 -11.932 -1.483 1.00 0.00 H new ATOM 0 HG12 ILE A 12 3.841 -10.820 0.551 1.00 0.00 H new ATOM 0 HG13 ILE A 12 3.960 -12.558 0.746 1.00 0.00 H new ATOM 0 HG21 ILE A 12 1.863 -9.813 -0.266 1.00 0.00 H new ATOM 0 HG22 ILE A 12 0.408 -10.836 -0.247 1.00 0.00 H new ATOM 0 HG23 ILE A 12 1.441 -10.732 1.198 1.00 0.00 H new ATOM 0 HD11 ILE A 12 5.709 -11.722 -0.747 1.00 0.00 H new ATOM 0 HD12 ILE A 12 4.596 -12.795 -1.629 1.00 0.00 H new ATOM 0 HD13 ILE A 12 4.475 -11.030 -1.827 1.00 0.00 H new ATOM 178 N SER A 13 3.057 -13.847 2.027 1.00 0.00 N ATOM 179 CA SER A 13 3.399 -13.968 3.440 1.00 0.00 C ATOM 180 C SER A 13 3.147 -12.645 4.149 1.00 0.00 C ATOM 181 O SER A 13 2.491 -12.600 5.191 1.00 0.00 O ATOM 182 CB SER A 13 4.864 -14.381 3.603 1.00 0.00 C ATOM 183 OG SER A 13 5.145 -15.562 2.874 1.00 0.00 O ATOM 0 H SER A 13 3.778 -14.182 1.388 1.00 0.00 H new ATOM 0 HA SER A 13 2.770 -14.738 3.887 1.00 0.00 H new ATOM 0 HB2 SER A 13 5.513 -13.575 3.260 1.00 0.00 H new ATOM 0 HB3 SER A 13 5.085 -14.540 4.658 1.00 0.00 H new ATOM 0 HG SER A 13 4.577 -16.291 3.201 1.00 0.00 H new ATOM 189 N LYS A 14 3.658 -11.565 3.564 1.00 0.00 N ATOM 190 CA LYS A 14 3.475 -10.234 4.127 1.00 0.00 C ATOM 191 C LYS A 14 3.904 -9.154 3.136 1.00 0.00 C ATOM 192 O LYS A 14 4.869 -9.323 2.393 1.00 0.00 O ATOM 193 CB LYS A 14 4.264 -10.091 5.429 1.00 0.00 C ATOM 194 CG LYS A 14 5.767 -10.232 5.255 1.00 0.00 C ATOM 195 CD LYS A 14 6.467 -10.413 6.591 1.00 0.00 C ATOM 196 CE LYS A 14 7.650 -9.469 6.736 1.00 0.00 C ATOM 197 NZ LYS A 14 7.492 -8.560 7.905 1.00 0.00 N ATOM 0 H LYS A 14 4.201 -11.587 2.701 1.00 0.00 H new ATOM 0 HA LYS A 14 2.414 -10.104 4.339 1.00 0.00 H new ATOM 0 HB2 LYS A 14 4.048 -9.117 5.868 1.00 0.00 H new ATOM 0 HB3 LYS A 14 3.918 -10.844 6.137 1.00 0.00 H new ATOM 0 HG2 LYS A 14 5.981 -11.086 4.612 1.00 0.00 H new ATOM 0 HG3 LYS A 14 6.161 -9.348 4.753 1.00 0.00 H new ATOM 0 HD2 LYS A 14 5.759 -10.236 7.400 1.00 0.00 H new ATOM 0 HD3 LYS A 14 6.809 -11.443 6.686 1.00 0.00 H new ATOM 0 HE2 LYS A 14 8.566 -10.049 6.848 1.00 0.00 H new ATOM 0 HE3 LYS A 14 7.756 -8.877 5.827 1.00 0.00 H new ATOM 0 HZ1 LYS A 14 7.208 -7.616 7.575 1.00 0.00 H new ATOM 0 HZ2 LYS A 14 6.762 -8.938 8.543 1.00 0.00 H new ATOM 0 HZ3 LYS A 14 8.395 -8.491 8.415 1.00 0.00 H new ATOM 211 N TYR A 15 3.180 -8.041 3.147 1.00 0.00 N ATOM 212 CA TYR A 15 3.469 -6.911 2.268 1.00 0.00 C ATOM 213 C TYR A 15 4.083 -5.777 3.075 1.00 0.00 C ATOM 214 O TYR A 15 3.881 -5.694 4.285 1.00 0.00 O ATOM 215 CB TYR A 15 2.184 -6.419 1.597 1.00 0.00 C ATOM 216 CG TYR A 15 2.218 -6.448 0.084 1.00 0.00 C ATOM 217 CD1 TYR A 15 2.881 -5.463 -0.641 1.00 0.00 C ATOM 218 CD2 TYR A 15 1.576 -7.458 -0.622 1.00 0.00 C ATOM 219 CE1 TYR A 15 2.904 -5.487 -2.023 1.00 0.00 C ATOM 220 CE2 TYR A 15 1.595 -7.487 -2.003 1.00 0.00 C ATOM 221 CZ TYR A 15 2.261 -6.502 -2.698 1.00 0.00 C ATOM 222 OH TYR A 15 2.281 -6.527 -4.074 1.00 0.00 O ATOM 0 H TYR A 15 2.379 -7.895 3.762 1.00 0.00 H new ATOM 0 HA TYR A 15 4.171 -7.236 1.500 1.00 0.00 H new ATOM 0 HB2 TYR A 15 1.351 -7.032 1.941 1.00 0.00 H new ATOM 0 HB3 TYR A 15 1.985 -5.398 1.924 1.00 0.00 H new ATOM 0 HD1 TYR A 15 3.386 -4.666 -0.115 1.00 0.00 H new ATOM 0 HD2 TYR A 15 1.053 -8.234 -0.082 1.00 0.00 H new ATOM 0 HE1 TYR A 15 3.423 -4.714 -2.571 1.00 0.00 H new ATOM 0 HE2 TYR A 15 1.090 -8.279 -2.536 1.00 0.00 H new ATOM 0 HH TYR A 15 3.104 -6.961 -4.381 1.00 0.00 H new ATOM 232 N ILE A 16 4.819 -4.896 2.411 1.00 0.00 N ATOM 233 CA ILE A 16 5.430 -3.772 3.096 1.00 0.00 C ATOM 234 C ILE A 16 4.845 -2.466 2.620 1.00 0.00 C ATOM 235 O ILE A 16 4.503 -2.308 1.448 1.00 0.00 O ATOM 236 CB ILE A 16 6.967 -3.709 2.905 1.00 0.00 C ATOM 237 CG1 ILE A 16 7.660 -3.682 4.271 1.00 0.00 C ATOM 238 CG2 ILE A 16 7.373 -2.474 2.088 1.00 0.00 C ATOM 239 CD1 ILE A 16 7.322 -2.455 5.098 1.00 0.00 C ATOM 0 H ILE A 16 5.005 -4.939 1.409 1.00 0.00 H new ATOM 0 HA ILE A 16 5.218 -3.925 4.154 1.00 0.00 H new ATOM 0 HB ILE A 16 7.279 -4.597 2.356 1.00 0.00 H new ATOM 0 HG12 ILE A 16 7.380 -4.575 4.829 1.00 0.00 H new ATOM 0 HG13 ILE A 16 8.739 -3.724 4.123 1.00 0.00 H new ATOM 0 HG21 ILE A 16 8.456 -2.456 1.970 1.00 0.00 H new ATOM 0 HG22 ILE A 16 6.902 -2.516 1.106 1.00 0.00 H new ATOM 0 HG23 ILE A 16 7.050 -1.572 2.607 1.00 0.00 H new ATOM 0 HD11 ILE A 16 7.848 -2.503 6.052 1.00 0.00 H new ATOM 0 HD12 ILE A 16 7.628 -1.558 4.560 1.00 0.00 H new ATOM 0 HD13 ILE A 16 6.247 -2.422 5.277 1.00 0.00 H new ATOM 251 N LEU A 17 4.785 -1.519 3.525 1.00 0.00 N ATOM 252 CA LEU A 17 4.310 -0.207 3.193 1.00 0.00 C ATOM 253 C LEU A 17 5.264 0.811 3.770 1.00 0.00 C ATOM 254 O LEU A 17 5.328 1.011 4.978 1.00 0.00 O ATOM 255 CB LEU A 17 2.904 0.008 3.735 1.00 0.00 C ATOM 256 CG LEU A 17 1.901 0.541 2.711 1.00 0.00 C ATOM 257 CD1 LEU A 17 0.882 -0.526 2.352 1.00 0.00 C ATOM 258 CD2 LEU A 17 1.208 1.787 3.243 1.00 0.00 C ATOM 0 H LEU A 17 5.061 -1.638 4.500 1.00 0.00 H new ATOM 0 HA LEU A 17 4.266 -0.096 2.110 1.00 0.00 H new ATOM 0 HB2 LEU A 17 2.532 -0.938 4.130 1.00 0.00 H new ATOM 0 HB3 LEU A 17 2.954 0.705 4.572 1.00 0.00 H new ATOM 0 HG LEU A 17 2.445 0.810 1.806 1.00 0.00 H new ATOM 0 HD11 LEU A 17 0.178 -0.126 1.622 1.00 0.00 H new ATOM 0 HD12 LEU A 17 1.394 -1.389 1.927 1.00 0.00 H new ATOM 0 HD13 LEU A 17 0.342 -0.830 3.249 1.00 0.00 H new ATOM 0 HD21 LEU A 17 0.498 2.153 2.502 1.00 0.00 H new ATOM 0 HD22 LEU A 17 0.678 1.543 4.164 1.00 0.00 H new ATOM 0 HD23 LEU A 17 1.951 2.558 3.445 1.00 0.00 H new ATOM 270 N ARG A 18 5.991 1.460 2.891 1.00 0.00 N ATOM 271 CA ARG A 18 6.940 2.471 3.291 1.00 0.00 C ATOM 272 C ARG A 18 6.636 3.710 2.504 1.00 0.00 C ATOM 273 O ARG A 18 6.504 3.652 1.286 1.00 0.00 O ATOM 274 CB ARG A 18 8.369 1.986 3.040 1.00 0.00 C ATOM 275 CG ARG A 18 8.416 0.606 2.420 1.00 0.00 C ATOM 276 CD ARG A 18 9.698 -0.132 2.765 1.00 0.00 C ATOM 277 NE ARG A 18 10.838 0.361 1.997 1.00 0.00 N ATOM 278 CZ ARG A 18 12.104 0.218 2.380 1.00 0.00 C ATOM 279 NH1 ARG A 18 12.391 -0.413 3.510 1.00 0.00 N ATOM 280 NH2 ARG A 18 13.085 0.703 1.631 1.00 0.00 N ATOM 0 H ARG A 18 5.942 1.303 1.884 1.00 0.00 H new ATOM 0 HA ARG A 18 6.859 2.682 4.357 1.00 0.00 H new ATOM 0 HB2 ARG A 18 8.878 2.692 2.384 1.00 0.00 H new ATOM 0 HB3 ARG A 18 8.916 1.975 3.983 1.00 0.00 H new ATOM 0 HG2 ARG A 18 7.560 0.025 2.764 1.00 0.00 H new ATOM 0 HG3 ARG A 18 8.328 0.692 1.337 1.00 0.00 H new ATOM 0 HD2 ARG A 18 9.904 -0.022 3.830 1.00 0.00 H new ATOM 0 HD3 ARG A 18 9.566 -1.197 2.574 1.00 0.00 H new ATOM 0 HE ARG A 18 10.653 0.842 1.117 1.00 0.00 H new ATOM 0 HH11 ARG A 18 11.640 -0.790 4.088 1.00 0.00 H new ATOM 0 HH12 ARG A 18 13.363 -0.521 3.801 1.00 0.00 H new ATOM 0 HH21 ARG A 18 12.870 1.187 0.759 1.00 0.00 H new ATOM 0 HH22 ARG A 18 14.055 0.592 1.927 1.00 0.00 H new ATOM 294 N TRP A 19 6.463 4.823 3.181 1.00 0.00 N ATOM 295 CA TRP A 19 6.095 6.018 2.458 1.00 0.00 C ATOM 296 C TRP A 19 6.323 7.302 3.228 1.00 0.00 C ATOM 297 O TRP A 19 6.483 7.313 4.449 1.00 0.00 O ATOM 298 CB TRP A 19 4.623 5.901 2.052 1.00 0.00 C ATOM 299 CG TRP A 19 3.669 6.516 3.022 1.00 0.00 C ATOM 300 CD1 TRP A 19 3.276 7.817 3.054 1.00 0.00 C ATOM 301 CD2 TRP A 19 2.985 5.857 4.092 1.00 0.00 C ATOM 302 NE1 TRP A 19 2.388 8.017 4.085 1.00 0.00 N ATOM 303 CE2 TRP A 19 2.192 6.825 4.737 1.00 0.00 C ATOM 304 CE3 TRP A 19 2.967 4.544 4.568 1.00 0.00 C ATOM 305 CZ2 TRP A 19 1.389 6.517 5.833 1.00 0.00 C ATOM 306 CZ3 TRP A 19 2.170 4.240 5.655 1.00 0.00 C ATOM 307 CH2 TRP A 19 1.390 5.222 6.277 1.00 0.00 C ATOM 0 H TRP A 19 6.566 4.926 4.191 1.00 0.00 H new ATOM 0 HA TRP A 19 6.746 6.084 1.586 1.00 0.00 H new ATOM 0 HB2 TRP A 19 4.488 6.372 1.078 1.00 0.00 H new ATOM 0 HB3 TRP A 19 4.373 4.847 1.933 1.00 0.00 H new ATOM 0 HD1 TRP A 19 3.612 8.582 2.370 1.00 0.00 H new ATOM 0 HE1 TRP A 19 1.948 8.905 4.326 1.00 0.00 H new ATOM 0 HE3 TRP A 19 3.566 3.780 4.095 1.00 0.00 H new ATOM 0 HZ2 TRP A 19 0.787 7.273 6.315 1.00 0.00 H new ATOM 0 HZ3 TRP A 19 2.148 3.228 6.031 1.00 0.00 H new ATOM 0 HH2 TRP A 19 0.777 4.953 7.124 1.00 0.00 H new ATOM 318 N ARG A 20 6.296 8.388 2.471 1.00 0.00 N ATOM 319 CA ARG A 20 6.453 9.720 3.001 1.00 0.00 C ATOM 320 C ARG A 20 5.788 10.697 2.039 1.00 0.00 C ATOM 321 O ARG A 20 5.913 10.554 0.821 1.00 0.00 O ATOM 322 CB ARG A 20 7.936 10.061 3.187 1.00 0.00 C ATOM 323 CG ARG A 20 8.637 10.494 1.909 1.00 0.00 C ATOM 324 CD ARG A 20 8.991 9.303 1.034 1.00 0.00 C ATOM 325 NE ARG A 20 10.055 9.624 0.085 1.00 0.00 N ATOM 326 CZ ARG A 20 9.897 10.440 -0.954 1.00 0.00 C ATOM 327 NH1 ARG A 20 8.723 11.018 -1.174 1.00 0.00 N ATOM 328 NH2 ARG A 20 10.912 10.679 -1.772 1.00 0.00 N ATOM 0 H ARG A 20 6.162 8.361 1.460 1.00 0.00 H new ATOM 0 HA ARG A 20 5.981 9.787 3.981 1.00 0.00 H new ATOM 0 HB2 ARG A 20 8.025 10.858 3.926 1.00 0.00 H new ATOM 0 HB3 ARG A 20 8.450 9.190 3.594 1.00 0.00 H new ATOM 0 HG2 ARG A 20 7.993 11.176 1.353 1.00 0.00 H new ATOM 0 HG3 ARG A 20 9.544 11.045 2.159 1.00 0.00 H new ATOM 0 HD2 ARG A 20 9.304 8.470 1.663 1.00 0.00 H new ATOM 0 HD3 ARG A 20 8.105 8.976 0.490 1.00 0.00 H new ATOM 0 HE ARG A 20 10.971 9.198 0.227 1.00 0.00 H new ATOM 0 HH11 ARG A 20 7.940 10.837 -0.546 1.00 0.00 H new ATOM 0 HH12 ARG A 20 8.604 11.643 -1.971 1.00 0.00 H new ATOM 0 HH21 ARG A 20 11.816 10.237 -1.606 1.00 0.00 H new ATOM 0 HH22 ARG A 20 10.789 11.305 -2.568 1.00 0.00 H new ATOM 342 N PRO A 21 5.061 11.690 2.557 1.00 0.00 N ATOM 343 CA PRO A 21 4.371 12.670 1.718 1.00 0.00 C ATOM 344 C PRO A 21 5.335 13.359 0.763 1.00 0.00 C ATOM 345 O PRO A 21 6.183 14.152 1.171 1.00 0.00 O ATOM 346 CB PRO A 21 3.802 13.672 2.730 1.00 0.00 C ATOM 347 CG PRO A 21 4.544 13.397 3.988 1.00 0.00 C ATOM 348 CD PRO A 21 4.823 11.934 3.981 1.00 0.00 C ATOM 0 HA PRO A 21 3.607 12.216 1.087 1.00 0.00 H new ATOM 0 HB2 PRO A 21 3.952 14.699 2.398 1.00 0.00 H new ATOM 0 HB3 PRO A 21 2.729 13.534 2.864 1.00 0.00 H new ATOM 0 HG2 PRO A 21 5.469 13.972 4.030 1.00 0.00 H new ATOM 0 HG3 PRO A 21 3.954 13.679 4.860 1.00 0.00 H new ATOM 0 HD2 PRO A 21 5.689 11.678 4.591 1.00 0.00 H new ATOM 0 HD3 PRO A 21 3.982 11.354 4.362 1.00 0.00 H new ATOM 356 N LYS A 22 5.192 13.024 -0.512 1.00 0.00 N ATOM 357 CA LYS A 22 6.032 13.565 -1.568 1.00 0.00 C ATOM 358 C LYS A 22 6.121 15.090 -1.498 1.00 0.00 C ATOM 359 O LYS A 22 7.210 15.649 -1.369 1.00 0.00 O ATOM 360 CB LYS A 22 5.469 13.125 -2.916 1.00 0.00 C ATOM 361 CG LYS A 22 6.525 12.899 -3.990 1.00 0.00 C ATOM 362 CD LYS A 22 7.339 14.155 -4.263 1.00 0.00 C ATOM 363 CE LYS A 22 8.589 13.848 -5.077 1.00 0.00 C ATOM 364 NZ LYS A 22 8.469 12.566 -5.827 1.00 0.00 N ATOM 0 H LYS A 22 4.486 12.366 -0.843 1.00 0.00 H new ATOM 0 HA LYS A 22 7.044 13.181 -1.441 1.00 0.00 H new ATOM 0 HB2 LYS A 22 4.904 12.203 -2.778 1.00 0.00 H new ATOM 0 HB3 LYS A 22 4.766 13.880 -3.267 1.00 0.00 H new ATOM 0 HG2 LYS A 22 7.192 12.095 -3.679 1.00 0.00 H new ATOM 0 HG3 LYS A 22 6.041 12.573 -4.911 1.00 0.00 H new ATOM 0 HD2 LYS A 22 6.724 14.878 -4.799 1.00 0.00 H new ATOM 0 HD3 LYS A 22 7.624 14.617 -3.318 1.00 0.00 H new ATOM 0 HE2 LYS A 22 8.773 14.662 -5.778 1.00 0.00 H new ATOM 0 HE3 LYS A 22 9.451 13.799 -4.412 1.00 0.00 H new ATOM 0 HZ1 LYS A 22 9.223 12.510 -6.541 1.00 0.00 H new ATOM 0 HZ2 LYS A 22 8.557 11.768 -5.166 1.00 0.00 H new ATOM 0 HZ3 LYS A 22 7.543 12.525 -6.298 1.00 0.00 H new ATOM 378 N ASN A 23 4.973 15.756 -1.594 1.00 0.00 N ATOM 379 CA ASN A 23 4.931 17.216 -1.552 1.00 0.00 C ATOM 380 C ASN A 23 5.434 17.747 -0.212 1.00 0.00 C ATOM 381 O ASN A 23 6.201 18.708 -0.166 1.00 0.00 O ATOM 382 CB ASN A 23 3.506 17.712 -1.804 1.00 0.00 C ATOM 383 CG ASN A 23 3.457 19.199 -2.099 1.00 0.00 C ATOM 384 OD1 ASN A 23 4.185 19.698 -2.957 1.00 0.00 O ATOM 385 ND2 ASN A 23 2.593 19.915 -1.387 1.00 0.00 N ATOM 0 H ASN A 23 4.062 15.310 -1.701 1.00 0.00 H new ATOM 0 HA ASN A 23 5.588 17.591 -2.337 1.00 0.00 H new ATOM 0 HB2 ASN A 23 3.076 17.163 -2.642 1.00 0.00 H new ATOM 0 HB3 ASN A 23 2.889 17.497 -0.932 1.00 0.00 H new ATOM 0 HD21 ASN A 23 2.514 20.920 -1.542 1.00 0.00 H new ATOM 0 HD22 ASN A 23 2.009 19.459 -0.686 1.00 0.00 H new ATOM 392 N SER A 24 4.996 17.118 0.873 1.00 0.00 N ATOM 393 CA SER A 24 5.404 17.531 2.211 1.00 0.00 C ATOM 394 C SER A 24 6.456 16.581 2.774 1.00 0.00 C ATOM 395 O SER A 24 6.200 15.854 3.734 1.00 0.00 O ATOM 396 CB SER A 24 4.190 17.580 3.142 1.00 0.00 C ATOM 397 OG SER A 24 3.860 18.916 3.484 1.00 0.00 O ATOM 0 H SER A 24 4.359 16.321 0.853 1.00 0.00 H new ATOM 0 HA SER A 24 5.841 18.527 2.143 1.00 0.00 H new ATOM 0 HB2 SER A 24 3.337 17.105 2.657 1.00 0.00 H new ATOM 0 HB3 SER A 24 4.400 17.011 4.048 1.00 0.00 H new ATOM 0 HG SER A 24 3.080 18.919 4.078 1.00 0.00 H new ATOM 403 N VAL A 25 7.638 16.593 2.163 1.00 0.00 N ATOM 404 CA VAL A 25 8.738 15.734 2.591 1.00 0.00 C ATOM 405 C VAL A 25 8.926 15.785 4.104 1.00 0.00 C ATOM 406 O VAL A 25 8.856 16.852 4.715 1.00 0.00 O ATOM 407 CB VAL A 25 10.058 16.131 1.899 1.00 0.00 C ATOM 408 CG1 VAL A 25 10.404 17.583 2.197 1.00 0.00 C ATOM 409 CG2 VAL A 25 11.190 15.206 2.323 1.00 0.00 C ATOM 0 H VAL A 25 7.859 17.191 1.367 1.00 0.00 H new ATOM 0 HA VAL A 25 8.477 14.716 2.302 1.00 0.00 H new ATOM 0 HB VAL A 25 9.924 16.027 0.822 1.00 0.00 H new ATOM 0 HG11 VAL A 25 11.338 17.844 1.700 1.00 0.00 H new ATOM 0 HG12 VAL A 25 9.606 18.230 1.832 1.00 0.00 H new ATOM 0 HG13 VAL A 25 10.516 17.717 3.273 1.00 0.00 H new ATOM 0 HG21 VAL A 25 12.111 15.505 1.822 1.00 0.00 H new ATOM 0 HG22 VAL A 25 11.327 15.269 3.403 1.00 0.00 H new ATOM 0 HG23 VAL A 25 10.944 14.180 2.048 1.00 0.00 H new ATOM 419 N GLY A 26 9.160 14.621 4.703 1.00 0.00 N ATOM 420 CA GLY A 26 9.351 14.547 6.140 1.00 0.00 C ATOM 421 C GLY A 26 10.126 13.312 6.559 1.00 0.00 C ATOM 422 O GLY A 26 11.338 13.373 6.767 1.00 0.00 O ATOM 0 H GLY A 26 9.221 13.726 4.217 1.00 0.00 H new ATOM 0 HA2 GLY A 26 9.881 15.437 6.479 1.00 0.00 H new ATOM 0 HA3 GLY A 26 8.379 14.547 6.633 1.00 0.00 H new ATOM 426 N ARG A 27 9.426 12.188 6.681 1.00 0.00 N ATOM 427 CA ARG A 27 10.058 10.935 7.076 1.00 0.00 C ATOM 428 C ARG A 27 9.272 9.737 6.553 1.00 0.00 C ATOM 429 O ARG A 27 8.050 9.796 6.412 1.00 0.00 O ATOM 430 CB ARG A 27 10.185 10.856 8.598 1.00 0.00 C ATOM 431 CG ARG A 27 8.856 10.937 9.330 1.00 0.00 C ATOM 432 CD ARG A 27 9.014 10.590 10.801 1.00 0.00 C ATOM 433 NE ARG A 27 8.335 11.550 11.666 1.00 0.00 N ATOM 434 CZ ARG A 27 7.917 11.266 12.897 1.00 0.00 C ATOM 435 NH1 ARG A 27 8.110 10.055 13.402 1.00 0.00 N ATOM 436 NH2 ARG A 27 7.307 12.192 13.623 1.00 0.00 N ATOM 0 H ARG A 27 8.422 12.120 6.512 1.00 0.00 H new ATOM 0 HA ARG A 27 11.055 10.909 6.637 1.00 0.00 H new ATOM 0 HB2 ARG A 27 10.679 9.921 8.864 1.00 0.00 H new ATOM 0 HB3 ARG A 27 10.828 11.666 8.942 1.00 0.00 H new ATOM 0 HG2 ARG A 27 8.446 11.942 9.233 1.00 0.00 H new ATOM 0 HG3 ARG A 27 8.142 10.255 8.868 1.00 0.00 H new ATOM 0 HD2 ARG A 27 8.614 9.592 10.983 1.00 0.00 H new ATOM 0 HD3 ARG A 27 10.074 10.560 11.054 1.00 0.00 H new ATOM 0 HE ARG A 27 8.172 12.491 11.307 1.00 0.00 H new ATOM 0 HH11 ARG A 27 8.579 9.340 12.847 1.00 0.00 H new ATOM 0 HH12 ARG A 27 7.789 9.839 14.346 1.00 0.00 H new ATOM 0 HH21 ARG A 27 7.157 13.125 13.238 1.00 0.00 H new ATOM 0 HH22 ARG A 27 6.987 11.972 14.566 1.00 0.00 H new ATOM 450 N TRP A 28 9.985 8.652 6.264 1.00 0.00 N ATOM 451 CA TRP A 28 9.366 7.433 5.752 1.00 0.00 C ATOM 452 C TRP A 28 8.472 6.780 6.805 1.00 0.00 C ATOM 453 O TRP A 28 8.485 7.164 7.974 1.00 0.00 O ATOM 454 CB TRP A 28 10.441 6.434 5.320 1.00 0.00 C ATOM 455 CG TRP A 28 11.103 6.769 4.018 1.00 0.00 C ATOM 456 CD1 TRP A 28 12.309 7.387 3.847 1.00 0.00 C ATOM 457 CD2 TRP A 28 10.603 6.495 2.704 1.00 0.00 C ATOM 458 NE1 TRP A 28 12.589 7.513 2.508 1.00 0.00 N ATOM 459 CE2 TRP A 28 11.558 6.974 1.786 1.00 0.00 C ATOM 460 CE3 TRP A 28 9.442 5.892 2.213 1.00 0.00 C ATOM 461 CZ2 TRP A 28 11.386 6.866 0.408 1.00 0.00 C ATOM 462 CZ3 TRP A 28 9.272 5.787 0.845 1.00 0.00 C ATOM 463 CH2 TRP A 28 10.239 6.272 -0.044 1.00 0.00 C ATOM 0 H TRP A 28 10.997 8.592 6.376 1.00 0.00 H new ATOM 0 HA TRP A 28 8.753 7.711 4.895 1.00 0.00 H new ATOM 0 HB2 TRP A 28 11.202 6.378 6.098 1.00 0.00 H new ATOM 0 HB3 TRP A 28 9.991 5.444 5.242 1.00 0.00 H new ATOM 0 HD1 TRP A 28 12.949 7.727 4.648 1.00 0.00 H new ATOM 0 HE1 TRP A 28 13.429 7.939 2.115 1.00 0.00 H new ATOM 0 HE3 TRP A 28 8.690 5.514 2.891 1.00 0.00 H new ATOM 0 HZ2 TRP A 28 12.131 7.238 -0.279 1.00 0.00 H new ATOM 0 HZ3 TRP A 28 8.378 5.323 0.455 1.00 0.00 H new ATOM 0 HH2 TRP A 28 10.076 6.175 -1.107 1.00 0.00 H new ATOM 474 N LYS A 29 7.715 5.774 6.375 1.00 0.00 N ATOM 475 CA LYS A 29 6.827 5.032 7.265 1.00 0.00 C ATOM 476 C LYS A 29 6.926 3.547 6.944 1.00 0.00 C ATOM 477 O LYS A 29 7.468 3.187 5.906 1.00 0.00 O ATOM 478 CB LYS A 29 5.383 5.514 7.114 1.00 0.00 C ATOM 479 CG LYS A 29 4.635 5.619 8.435 1.00 0.00 C ATOM 480 CD LYS A 29 4.214 7.051 8.725 1.00 0.00 C ATOM 481 CE LYS A 29 3.279 7.127 9.922 1.00 0.00 C ATOM 482 NZ LYS A 29 3.451 8.394 10.683 1.00 0.00 N ATOM 0 H LYS A 29 7.699 5.452 5.407 1.00 0.00 H new ATOM 0 HA LYS A 29 7.131 5.203 8.298 1.00 0.00 H new ATOM 0 HB2 LYS A 29 5.383 6.489 6.628 1.00 0.00 H new ATOM 0 HB3 LYS A 29 4.847 4.830 6.456 1.00 0.00 H new ATOM 0 HG2 LYS A 29 3.754 4.978 8.407 1.00 0.00 H new ATOM 0 HG3 LYS A 29 5.269 5.254 9.243 1.00 0.00 H new ATOM 0 HD2 LYS A 29 5.098 7.660 8.914 1.00 0.00 H new ATOM 0 HD3 LYS A 29 3.719 7.470 7.849 1.00 0.00 H new ATOM 0 HE2 LYS A 29 2.247 7.046 9.582 1.00 0.00 H new ATOM 0 HE3 LYS A 29 3.465 6.280 10.582 1.00 0.00 H new ATOM 0 HZ1 LYS A 29 2.796 8.406 11.490 1.00 0.00 H new ATOM 0 HZ2 LYS A 29 4.429 8.460 11.030 1.00 0.00 H new ATOM 0 HZ3 LYS A 29 3.249 9.203 10.061 1.00 0.00 H new ATOM 496 N GLU A 30 6.418 2.689 7.829 1.00 0.00 N ATOM 497 CA GLU A 30 6.481 1.241 7.605 1.00 0.00 C ATOM 498 C GLU A 30 5.209 0.535 8.085 1.00 0.00 C ATOM 499 O GLU A 30 4.801 0.682 9.236 1.00 0.00 O ATOM 500 CB GLU A 30 7.701 0.648 8.312 1.00 0.00 C ATOM 501 CG GLU A 30 8.034 1.329 9.631 1.00 0.00 C ATOM 502 CD GLU A 30 9.268 0.746 10.293 1.00 0.00 C ATOM 503 OE1 GLU A 30 9.655 -0.388 9.937 1.00 0.00 O ATOM 504 OE2 GLU A 30 9.848 1.422 11.169 1.00 0.00 O ATOM 0 H GLU A 30 5.963 2.965 8.699 1.00 0.00 H new ATOM 0 HA GLU A 30 6.569 1.080 6.530 1.00 0.00 H new ATOM 0 HB2 GLU A 30 7.524 -0.412 8.495 1.00 0.00 H new ATOM 0 HB3 GLU A 30 8.564 0.718 7.649 1.00 0.00 H new ATOM 0 HG2 GLU A 30 8.188 2.394 9.457 1.00 0.00 H new ATOM 0 HG3 GLU A 30 7.185 1.236 10.308 1.00 0.00 H new ATOM 511 N ALA A 31 4.597 -0.240 7.188 1.00 0.00 N ATOM 512 CA ALA A 31 3.379 -0.986 7.504 1.00 0.00 C ATOM 513 C ALA A 31 3.397 -2.359 6.834 1.00 0.00 C ATOM 514 O ALA A 31 3.645 -2.464 5.634 1.00 0.00 O ATOM 515 CB ALA A 31 2.148 -0.203 7.068 1.00 0.00 C ATOM 0 H ALA A 31 4.928 -0.367 6.232 1.00 0.00 H new ATOM 0 HA ALA A 31 3.338 -1.130 8.584 1.00 0.00 H new ATOM 0 HB1 ALA A 31 1.250 -0.772 7.310 1.00 0.00 H new ATOM 0 HB2 ALA A 31 2.122 0.754 7.589 1.00 0.00 H new ATOM 0 HB3 ALA A 31 2.189 -0.030 5.993 1.00 0.00 H new ATOM 521 N THR A 32 3.134 -3.413 7.605 1.00 0.00 N ATOM 522 CA THR A 32 3.125 -4.767 7.055 1.00 0.00 C ATOM 523 C THR A 32 1.704 -5.296 6.893 1.00 0.00 C ATOM 524 O THR A 32 0.960 -5.417 7.866 1.00 0.00 O ATOM 525 CB THR A 32 3.928 -5.747 7.931 1.00 0.00 C ATOM 526 OG1 THR A 32 4.995 -5.054 8.592 1.00 0.00 O ATOM 527 CG2 THR A 32 4.497 -6.882 7.089 1.00 0.00 C ATOM 0 H THR A 32 2.926 -3.357 8.602 1.00 0.00 H new ATOM 0 HA THR A 32 3.597 -4.701 6.075 1.00 0.00 H new ATOM 0 HB THR A 32 3.255 -6.170 8.677 1.00 0.00 H new ATOM 0 HG1 THR A 32 5.499 -5.684 9.148 1.00 0.00 H new ATOM 0 HG21 THR A 32 5.060 -7.562 7.728 1.00 0.00 H new ATOM 0 HG22 THR A 32 3.681 -7.425 6.611 1.00 0.00 H new ATOM 0 HG23 THR A 32 5.157 -6.472 6.324 1.00 0.00 H new ATOM 535 N ILE A 33 1.336 -5.613 5.653 1.00 0.00 N ATOM 536 CA ILE A 33 0.007 -6.136 5.352 1.00 0.00 C ATOM 537 C ILE A 33 0.103 -7.556 4.793 1.00 0.00 C ATOM 538 O ILE A 33 0.518 -7.752 3.654 1.00 0.00 O ATOM 539 CB ILE A 33 -0.729 -5.242 4.328 1.00 0.00 C ATOM 540 CG1 ILE A 33 -0.075 -3.854 4.248 1.00 0.00 C ATOM 541 CG2 ILE A 33 -2.203 -5.124 4.687 1.00 0.00 C ATOM 542 CD1 ILE A 33 -0.188 -3.046 5.523 1.00 0.00 C ATOM 0 H ILE A 33 1.943 -5.516 4.839 1.00 0.00 H new ATOM 0 HA ILE A 33 -0.557 -6.145 6.285 1.00 0.00 H new ATOM 0 HB ILE A 33 -0.651 -5.709 3.346 1.00 0.00 H new ATOM 0 HG12 ILE A 33 0.979 -3.974 3.998 1.00 0.00 H new ATOM 0 HG13 ILE A 33 -0.534 -3.294 3.433 1.00 0.00 H new ATOM 0 HG21 ILE A 33 -2.706 -4.491 3.956 1.00 0.00 H new ATOM 0 HG22 ILE A 33 -2.659 -6.114 4.684 1.00 0.00 H new ATOM 0 HG23 ILE A 33 -2.302 -4.682 5.678 1.00 0.00 H new ATOM 0 HD11 ILE A 33 0.298 -2.080 5.386 1.00 0.00 H new ATOM 0 HD12 ILE A 33 -1.240 -2.892 5.764 1.00 0.00 H new ATOM 0 HD13 ILE A 33 0.297 -3.583 6.338 1.00 0.00 H new ATOM 554 N PRO A 34 -0.272 -8.571 5.594 1.00 0.00 N ATOM 555 CA PRO A 34 -0.209 -9.976 5.175 1.00 0.00 C ATOM 556 C PRO A 34 -1.273 -10.340 4.144 1.00 0.00 C ATOM 557 O PRO A 34 -2.417 -10.632 4.496 1.00 0.00 O ATOM 558 CB PRO A 34 -0.437 -10.763 6.474 1.00 0.00 C ATOM 559 CG PRO A 34 -0.367 -9.756 7.577 1.00 0.00 C ATOM 560 CD PRO A 34 -0.764 -8.444 6.970 1.00 0.00 C ATOM 0 HA PRO A 34 0.741 -10.197 4.688 1.00 0.00 H new ATOM 0 HB2 PRO A 34 -1.405 -11.264 6.463 1.00 0.00 H new ATOM 0 HB3 PRO A 34 0.321 -11.536 6.601 1.00 0.00 H new ATOM 0 HG2 PRO A 34 -1.037 -10.026 8.394 1.00 0.00 H new ATOM 0 HG3 PRO A 34 0.639 -9.704 7.994 1.00 0.00 H new ATOM 0 HD2 PRO A 34 -1.843 -8.291 7.003 1.00 0.00 H new ATOM 0 HD3 PRO A 34 -0.307 -7.602 7.489 1.00 0.00 H new ATOM 568 N GLY A 35 -0.881 -10.335 2.872 1.00 0.00 N ATOM 569 CA GLY A 35 -1.797 -10.678 1.795 1.00 0.00 C ATOM 570 C GLY A 35 -3.154 -10.016 1.931 1.00 0.00 C ATOM 571 O GLY A 35 -4.186 -10.662 1.745 1.00 0.00 O ATOM 0 H GLY A 35 0.063 -10.098 2.566 1.00 0.00 H new ATOM 0 HA2 GLY A 35 -1.353 -10.388 0.843 1.00 0.00 H new ATOM 0 HA3 GLY A 35 -1.929 -11.760 1.769 1.00 0.00 H new ATOM 575 N HIS A 36 -3.155 -8.725 2.253 1.00 0.00 N ATOM 576 CA HIS A 36 -4.396 -7.973 2.410 1.00 0.00 C ATOM 577 C HIS A 36 -5.305 -8.633 3.445 1.00 0.00 C ATOM 578 O HIS A 36 -6.254 -9.336 3.096 1.00 0.00 O ATOM 579 CB HIS A 36 -5.122 -7.864 1.066 1.00 0.00 C ATOM 580 CG HIS A 36 -5.733 -6.520 0.823 1.00 0.00 C ATOM 581 ND1 HIS A 36 -7.083 -6.308 0.973 1.00 0.00 N ATOM 582 CD2 HIS A 36 -5.142 -5.360 0.446 1.00 0.00 C ATOM 583 CE1 HIS A 36 -7.283 -5.034 0.685 1.00 0.00 C ATOM 584 NE2 HIS A 36 -6.136 -4.419 0.360 1.00 0.00 N ATOM 0 H HIS A 36 -2.309 -8.178 2.410 1.00 0.00 H new ATOM 0 HA HIS A 36 -4.146 -6.972 2.761 1.00 0.00 H new ATOM 0 HB2 HIS A 36 -4.418 -8.084 0.263 1.00 0.00 H new ATOM 0 HB3 HIS A 36 -5.904 -8.623 1.022 1.00 0.00 H new ATOM 0 HD2 HIS A 36 -4.091 -5.206 0.251 1.00 0.00 H new ATOM 0 HE1 HIS A 36 -8.248 -4.549 0.708 1.00 0.00 H new ATOM 0 HE2 HIS A 36 -6.024 -3.439 0.099 1.00 0.00 H new ATOM 592 N LEU A 37 -5.006 -8.402 4.721 1.00 0.00 N ATOM 593 CA LEU A 37 -5.795 -8.973 5.807 1.00 0.00 C ATOM 594 C LEU A 37 -7.180 -8.334 5.864 1.00 0.00 C ATOM 595 O LEU A 37 -8.160 -8.984 6.228 1.00 0.00 O ATOM 596 CB LEU A 37 -5.074 -8.784 7.146 1.00 0.00 C ATOM 597 CG LEU A 37 -5.198 -7.388 7.761 1.00 0.00 C ATOM 598 CD1 LEU A 37 -4.893 -7.429 9.250 1.00 0.00 C ATOM 599 CD2 LEU A 37 -4.273 -6.410 7.055 1.00 0.00 C ATOM 0 H LEU A 37 -4.224 -7.824 5.027 1.00 0.00 H new ATOM 0 HA LEU A 37 -5.914 -10.040 5.617 1.00 0.00 H new ATOM 0 HB2 LEU A 37 -5.464 -9.513 7.857 1.00 0.00 H new ATOM 0 HB3 LEU A 37 -4.017 -9.010 7.006 1.00 0.00 H new ATOM 0 HG LEU A 37 -6.225 -7.047 7.631 1.00 0.00 H new ATOM 0 HD11 LEU A 37 -4.987 -6.427 9.668 1.00 0.00 H new ATOM 0 HD12 LEU A 37 -5.596 -8.097 9.747 1.00 0.00 H new ATOM 0 HD13 LEU A 37 -3.877 -7.793 9.403 1.00 0.00 H new ATOM 0 HD21 LEU A 37 -4.375 -5.423 7.506 1.00 0.00 H new ATOM 0 HD22 LEU A 37 -3.242 -6.749 7.153 1.00 0.00 H new ATOM 0 HD23 LEU A 37 -4.538 -6.356 5.999 1.00 0.00 H new ATOM 611 N ASN A 38 -7.248 -7.056 5.505 1.00 0.00 N ATOM 612 CA ASN A 38 -8.509 -6.321 5.516 1.00 0.00 C ATOM 613 C ASN A 38 -8.379 -5.017 4.731 1.00 0.00 C ATOM 614 O ASN A 38 -7.429 -4.836 3.969 1.00 0.00 O ATOM 615 CB ASN A 38 -8.940 -6.034 6.959 1.00 0.00 C ATOM 616 CG ASN A 38 -8.329 -4.758 7.514 1.00 0.00 C ATOM 617 OD1 ASN A 38 -8.993 -3.994 8.214 1.00 0.00 O ATOM 618 ND2 ASN A 38 -7.058 -4.521 7.204 1.00 0.00 N ATOM 0 H ASN A 38 -6.444 -6.507 5.202 1.00 0.00 H new ATOM 0 HA ASN A 38 -9.272 -6.935 5.037 1.00 0.00 H new ATOM 0 HB2 ASN A 38 -10.027 -5.959 7.001 1.00 0.00 H new ATOM 0 HB3 ASN A 38 -8.654 -6.874 7.592 1.00 0.00 H new ATOM 0 HD21 ASN A 38 -6.597 -3.679 7.550 1.00 0.00 H new ATOM 0 HD22 ASN A 38 -6.544 -5.181 6.621 1.00 0.00 H new ATOM 625 N SER A 39 -9.333 -4.114 4.926 1.00 0.00 N ATOM 626 CA SER A 39 -9.316 -2.827 4.240 1.00 0.00 C ATOM 627 C SER A 39 -8.480 -1.813 5.015 1.00 0.00 C ATOM 628 O SER A 39 -8.907 -1.305 6.052 1.00 0.00 O ATOM 629 CB SER A 39 -10.742 -2.301 4.064 1.00 0.00 C ATOM 630 OG SER A 39 -11.228 -2.571 2.762 1.00 0.00 O ATOM 0 H SER A 39 -10.127 -4.249 5.552 1.00 0.00 H new ATOM 0 HA SER A 39 -8.866 -2.970 3.258 1.00 0.00 H new ATOM 0 HB2 SER A 39 -11.397 -2.763 4.803 1.00 0.00 H new ATOM 0 HB3 SER A 39 -10.762 -1.227 4.247 1.00 0.00 H new ATOM 0 HG SER A 39 -12.141 -2.226 2.676 1.00 0.00 H new ATOM 636 N TYR A 40 -7.286 -1.523 4.506 1.00 0.00 N ATOM 637 CA TYR A 40 -6.390 -0.571 5.150 1.00 0.00 C ATOM 638 C TYR A 40 -6.021 0.556 4.190 1.00 0.00 C ATOM 639 O TYR A 40 -5.264 0.355 3.239 1.00 0.00 O ATOM 640 CB TYR A 40 -5.125 -1.281 5.646 1.00 0.00 C ATOM 641 CG TYR A 40 -4.064 -0.343 6.179 1.00 0.00 C ATOM 642 CD1 TYR A 40 -4.332 0.507 7.244 1.00 0.00 C ATOM 643 CD2 TYR A 40 -2.793 -0.311 5.617 1.00 0.00 C ATOM 644 CE1 TYR A 40 -3.363 1.365 7.734 1.00 0.00 C ATOM 645 CE2 TYR A 40 -1.820 0.543 6.100 1.00 0.00 C ATOM 646 CZ TYR A 40 -2.110 1.379 7.159 1.00 0.00 C ATOM 647 OH TYR A 40 -1.144 2.230 7.643 1.00 0.00 O ATOM 0 H TYR A 40 -6.917 -1.935 3.649 1.00 0.00 H new ATOM 0 HA TYR A 40 -6.908 -0.138 6.006 1.00 0.00 H new ATOM 0 HB2 TYR A 40 -5.400 -1.986 6.431 1.00 0.00 H new ATOM 0 HB3 TYR A 40 -4.703 -1.864 4.827 1.00 0.00 H new ATOM 0 HD1 TYR A 40 -5.312 0.498 7.697 1.00 0.00 H new ATOM 0 HD2 TYR A 40 -2.562 -0.965 4.789 1.00 0.00 H new ATOM 0 HE1 TYR A 40 -3.587 2.020 8.563 1.00 0.00 H new ATOM 0 HE2 TYR A 40 -0.838 0.556 5.651 1.00 0.00 H new ATOM 0 HH TYR A 40 -0.318 2.114 7.128 1.00 0.00 H new ATOM 657 N THR A 41 -6.568 1.742 4.441 1.00 0.00 N ATOM 658 CA THR A 41 -6.307 2.902 3.596 1.00 0.00 C ATOM 659 C THR A 41 -5.695 4.051 4.394 1.00 0.00 C ATOM 660 O THR A 41 -5.997 4.231 5.574 1.00 0.00 O ATOM 661 CB THR A 41 -7.596 3.396 2.914 1.00 0.00 C ATOM 662 OG1 THR A 41 -8.628 2.411 3.045 1.00 0.00 O ATOM 663 CG2 THR A 41 -7.352 3.689 1.442 1.00 0.00 C ATOM 0 H THR A 41 -7.196 1.925 5.224 1.00 0.00 H new ATOM 0 HA THR A 41 -5.596 2.581 2.835 1.00 0.00 H new ATOM 0 HB THR A 41 -7.909 4.318 3.404 1.00 0.00 H new ATOM 0 HG1 THR A 41 -9.445 2.733 2.610 1.00 0.00 H new ATOM 0 HG21 THR A 41 -8.277 4.036 0.982 1.00 0.00 H new ATOM 0 HG22 THR A 41 -6.587 4.460 1.346 1.00 0.00 H new ATOM 0 HG23 THR A 41 -7.016 2.781 0.941 1.00 0.00 H new ATOM 671 N ILE A 42 -4.836 4.827 3.738 1.00 0.00 N ATOM 672 CA ILE A 42 -4.179 5.963 4.379 1.00 0.00 C ATOM 673 C ILE A 42 -4.997 7.239 4.200 1.00 0.00 C ATOM 674 O ILE A 42 -5.518 7.506 3.117 1.00 0.00 O ATOM 675 CB ILE A 42 -2.765 6.188 3.806 1.00 0.00 C ATOM 676 CG1 ILE A 42 -1.976 4.877 3.808 1.00 0.00 C ATOM 677 CG2 ILE A 42 -2.031 7.255 4.603 1.00 0.00 C ATOM 678 CD1 ILE A 42 -0.865 4.837 2.781 1.00 0.00 C ATOM 0 H ILE A 42 -4.578 4.689 2.761 1.00 0.00 H new ATOM 0 HA ILE A 42 -4.100 5.729 5.441 1.00 0.00 H new ATOM 0 HB ILE A 42 -2.858 6.534 2.776 1.00 0.00 H new ATOM 0 HG12 ILE A 42 -1.549 4.721 4.799 1.00 0.00 H new ATOM 0 HG13 ILE A 42 -2.661 4.050 3.622 1.00 0.00 H new ATOM 0 HG21 ILE A 42 -1.035 7.401 4.185 1.00 0.00 H new ATOM 0 HG22 ILE A 42 -2.586 8.192 4.554 1.00 0.00 H new ATOM 0 HG23 ILE A 42 -1.945 6.938 5.642 1.00 0.00 H new ATOM 0 HD11 ILE A 42 -0.349 3.879 2.840 1.00 0.00 H new ATOM 0 HD12 ILE A 42 -1.287 4.961 1.784 1.00 0.00 H new ATOM 0 HD13 ILE A 42 -0.158 5.642 2.979 1.00 0.00 H new ATOM 690 N LYS A 43 -5.109 8.022 5.269 1.00 0.00 N ATOM 691 CA LYS A 43 -5.866 9.269 5.230 1.00 0.00 C ATOM 692 C LYS A 43 -4.958 10.475 5.458 1.00 0.00 C ATOM 693 O LYS A 43 -3.950 10.381 6.158 1.00 0.00 O ATOM 694 CB LYS A 43 -6.976 9.246 6.284 1.00 0.00 C ATOM 695 CG LYS A 43 -8.365 9.022 5.703 1.00 0.00 C ATOM 696 CD LYS A 43 -8.489 7.646 5.069 1.00 0.00 C ATOM 697 CE LYS A 43 -9.808 6.983 5.432 1.00 0.00 C ATOM 698 NZ LYS A 43 -9.769 6.376 6.790 1.00 0.00 N ATOM 0 H LYS A 43 -4.685 7.815 6.173 1.00 0.00 H new ATOM 0 HA LYS A 43 -6.311 9.360 4.239 1.00 0.00 H new ATOM 0 HB2 LYS A 43 -6.763 8.459 7.007 1.00 0.00 H new ATOM 0 HB3 LYS A 43 -6.967 10.190 6.829 1.00 0.00 H new ATOM 0 HG2 LYS A 43 -9.111 9.130 6.490 1.00 0.00 H new ATOM 0 HG3 LYS A 43 -8.576 9.788 4.957 1.00 0.00 H new ATOM 0 HD2 LYS A 43 -8.411 7.735 3.985 1.00 0.00 H new ATOM 0 HD3 LYS A 43 -7.662 7.017 5.397 1.00 0.00 H new ATOM 0 HE2 LYS A 43 -10.609 7.720 5.387 1.00 0.00 H new ATOM 0 HE3 LYS A 43 -10.042 6.213 4.697 1.00 0.00 H new ATOM 0 HZ1 LYS A 43 -10.687 5.934 6.999 1.00 0.00 H new ATOM 0 HZ2 LYS A 43 -9.021 5.654 6.826 1.00 0.00 H new ATOM 0 HZ3 LYS A 43 -9.571 7.115 7.495 1.00 0.00 H new ATOM 712 N GLY A 44 -5.324 11.606 4.861 1.00 0.00 N ATOM 713 CA GLY A 44 -4.536 12.817 5.008 1.00 0.00 C ATOM 714 C GLY A 44 -3.894 13.252 3.705 1.00 0.00 C ATOM 715 O GLY A 44 -2.884 13.955 3.706 1.00 0.00 O ATOM 0 H GLY A 44 -6.154 11.705 4.277 1.00 0.00 H new ATOM 0 HA2 GLY A 44 -5.173 13.619 5.381 1.00 0.00 H new ATOM 0 HA3 GLY A 44 -3.760 12.653 5.755 1.00 0.00 H new ATOM 719 N LEU A 45 -4.480 12.824 2.591 1.00 0.00 N ATOM 720 CA LEU A 45 -3.961 13.163 1.270 1.00 0.00 C ATOM 721 C LEU A 45 -5.050 13.805 0.416 1.00 0.00 C ATOM 722 O LEU A 45 -6.217 13.834 0.805 1.00 0.00 O ATOM 723 CB LEU A 45 -3.428 11.914 0.552 1.00 0.00 C ATOM 724 CG LEU A 45 -2.486 11.011 1.358 1.00 0.00 C ATOM 725 CD1 LEU A 45 -3.215 10.340 2.512 1.00 0.00 C ATOM 726 CD2 LEU A 45 -1.871 9.959 0.450 1.00 0.00 C ATOM 0 H LEU A 45 -5.316 12.240 2.577 1.00 0.00 H new ATOM 0 HA LEU A 45 -3.143 13.870 1.408 1.00 0.00 H new ATOM 0 HB2 LEU A 45 -4.280 11.316 0.229 1.00 0.00 H new ATOM 0 HB3 LEU A 45 -2.905 12.235 -0.349 1.00 0.00 H new ATOM 0 HG LEU A 45 -1.696 11.635 1.776 1.00 0.00 H new ATOM 0 HD11 LEU A 45 -2.519 9.707 3.063 1.00 0.00 H new ATOM 0 HD12 LEU A 45 -3.619 11.101 3.179 1.00 0.00 H new ATOM 0 HD13 LEU A 45 -4.030 9.730 2.122 1.00 0.00 H new ATOM 0 HD21 LEU A 45 -1.204 9.322 1.031 1.00 0.00 H new ATOM 0 HD22 LEU A 45 -2.661 9.351 0.010 1.00 0.00 H new ATOM 0 HD23 LEU A 45 -1.306 10.448 -0.343 1.00 0.00 H new ATOM 738 N LYS A 46 -4.658 14.310 -0.752 1.00 0.00 N ATOM 739 CA LYS A 46 -5.596 14.944 -1.667 1.00 0.00 C ATOM 740 C LYS A 46 -4.887 15.394 -2.940 1.00 0.00 C ATOM 741 O LYS A 46 -3.660 15.444 -2.986 1.00 0.00 O ATOM 742 CB LYS A 46 -6.270 16.137 -0.988 1.00 0.00 C ATOM 743 CG LYS A 46 -5.296 17.197 -0.502 1.00 0.00 C ATOM 744 CD LYS A 46 -6.022 18.449 -0.035 1.00 0.00 C ATOM 745 CE LYS A 46 -5.453 18.967 1.276 1.00 0.00 C ATOM 746 NZ LYS A 46 -5.612 20.441 1.407 1.00 0.00 N ATOM 0 H LYS A 46 -3.694 14.291 -1.085 1.00 0.00 H new ATOM 0 HA LYS A 46 -6.359 14.214 -1.938 1.00 0.00 H new ATOM 0 HB2 LYS A 46 -6.970 16.594 -1.688 1.00 0.00 H new ATOM 0 HB3 LYS A 46 -6.855 15.778 -0.141 1.00 0.00 H new ATOM 0 HG2 LYS A 46 -4.698 16.795 0.316 1.00 0.00 H new ATOM 0 HG3 LYS A 46 -4.606 17.454 -1.305 1.00 0.00 H new ATOM 0 HD2 LYS A 46 -5.942 19.223 -0.798 1.00 0.00 H new ATOM 0 HD3 LYS A 46 -7.083 18.231 0.089 1.00 0.00 H new ATOM 0 HE2 LYS A 46 -5.953 18.473 2.109 1.00 0.00 H new ATOM 0 HE3 LYS A 46 -4.396 18.709 1.340 1.00 0.00 H new ATOM 0 HZ1 LYS A 46 -5.211 20.754 2.314 1.00 0.00 H new ATOM 0 HZ2 LYS A 46 -5.114 20.915 0.627 1.00 0.00 H new ATOM 0 HZ3 LYS A 46 -6.622 20.686 1.372 1.00 0.00 H new ATOM 760 N PRO A 47 -5.653 15.727 -4.000 1.00 0.00 N ATOM 761 CA PRO A 47 -5.085 16.174 -5.275 1.00 0.00 C ATOM 762 C PRO A 47 -4.015 17.245 -5.086 1.00 0.00 C ATOM 763 O PRO A 47 -3.150 17.432 -5.943 1.00 0.00 O ATOM 764 CB PRO A 47 -6.298 16.747 -6.005 1.00 0.00 C ATOM 765 CG PRO A 47 -7.442 15.949 -5.489 1.00 0.00 C ATOM 766 CD PRO A 47 -7.131 15.693 -4.041 1.00 0.00 C ATOM 0 HA PRO A 47 -4.584 15.369 -5.813 1.00 0.00 H new ATOM 0 HB2 PRO A 47 -6.425 17.809 -5.794 1.00 0.00 H new ATOM 0 HB3 PRO A 47 -6.197 16.647 -7.086 1.00 0.00 H new ATOM 0 HG2 PRO A 47 -8.381 16.492 -5.599 1.00 0.00 H new ATOM 0 HG3 PRO A 47 -7.548 15.014 -6.039 1.00 0.00 H new ATOM 0 HD2 PRO A 47 -7.569 16.454 -3.395 1.00 0.00 H new ATOM 0 HD3 PRO A 47 -7.521 14.730 -3.710 1.00 0.00 H new ATOM 774 N GLY A 48 -4.078 17.939 -3.954 1.00 0.00 N ATOM 775 CA GLY A 48 -3.108 18.975 -3.661 1.00 0.00 C ATOM 776 C GLY A 48 -1.822 18.416 -3.082 1.00 0.00 C ATOM 777 O GLY A 48 -0.736 18.919 -3.367 1.00 0.00 O ATOM 0 H GLY A 48 -4.786 17.801 -3.233 1.00 0.00 H new ATOM 0 HA2 GLY A 48 -2.883 19.527 -4.574 1.00 0.00 H new ATOM 0 HA3 GLY A 48 -3.541 19.686 -2.957 1.00 0.00 H new ATOM 781 N VAL A 49 -1.944 17.371 -2.265 1.00 0.00 N ATOM 782 CA VAL A 49 -0.776 16.749 -1.650 1.00 0.00 C ATOM 783 C VAL A 49 -0.564 15.330 -2.150 1.00 0.00 C ATOM 784 O VAL A 49 -1.446 14.479 -2.035 1.00 0.00 O ATOM 785 CB VAL A 49 -0.874 16.695 -0.114 1.00 0.00 C ATOM 786 CG1 VAL A 49 0.423 17.189 0.508 1.00 0.00 C ATOM 787 CG2 VAL A 49 -2.071 17.488 0.397 1.00 0.00 C ATOM 0 H VAL A 49 -2.834 16.941 -2.016 1.00 0.00 H new ATOM 0 HA VAL A 49 0.066 17.379 -1.937 1.00 0.00 H new ATOM 0 HB VAL A 49 -1.028 15.658 0.184 1.00 0.00 H new ATOM 0 HG11 VAL A 49 0.345 17.147 1.594 1.00 0.00 H new ATOM 0 HG12 VAL A 49 1.248 16.557 0.179 1.00 0.00 H new ATOM 0 HG13 VAL A 49 0.607 18.217 0.197 1.00 0.00 H new ATOM 0 HG21 VAL A 49 -2.110 17.428 1.485 1.00 0.00 H new ATOM 0 HG22 VAL A 49 -1.973 18.530 0.094 1.00 0.00 H new ATOM 0 HG23 VAL A 49 -2.988 17.073 -0.022 1.00 0.00 H new ATOM 797 N VAL A 50 0.623 15.074 -2.678 1.00 0.00 N ATOM 798 CA VAL A 50 0.969 13.750 -3.169 1.00 0.00 C ATOM 799 C VAL A 50 1.853 13.032 -2.158 1.00 0.00 C ATOM 800 O VAL A 50 2.833 13.594 -1.670 1.00 0.00 O ATOM 801 CB VAL A 50 1.698 13.819 -4.528 1.00 0.00 C ATOM 802 CG1 VAL A 50 2.764 14.903 -4.512 1.00 0.00 C ATOM 803 CG2 VAL A 50 2.305 12.467 -4.881 1.00 0.00 C ATOM 0 H VAL A 50 1.364 15.768 -2.777 1.00 0.00 H new ATOM 0 HA VAL A 50 0.039 13.198 -3.307 1.00 0.00 H new ATOM 0 HB VAL A 50 0.967 14.074 -5.296 1.00 0.00 H new ATOM 0 HG11 VAL A 50 3.265 14.934 -5.479 1.00 0.00 H new ATOM 0 HG12 VAL A 50 2.298 15.868 -4.313 1.00 0.00 H new ATOM 0 HG13 VAL A 50 3.493 14.684 -3.732 1.00 0.00 H new ATOM 0 HG21 VAL A 50 2.814 12.537 -5.842 1.00 0.00 H new ATOM 0 HG22 VAL A 50 3.020 12.177 -4.111 1.00 0.00 H new ATOM 0 HG23 VAL A 50 1.515 11.718 -4.942 1.00 0.00 H new ATOM 813 N TYR A 51 1.502 11.791 -1.840 1.00 0.00 N ATOM 814 CA TYR A 51 2.272 11.003 -0.884 1.00 0.00 C ATOM 815 C TYR A 51 2.959 9.842 -1.582 1.00 0.00 C ATOM 816 O TYR A 51 2.300 8.976 -2.156 1.00 0.00 O ATOM 817 CB TYR A 51 1.371 10.471 0.231 1.00 0.00 C ATOM 818 CG TYR A 51 1.009 11.505 1.277 1.00 0.00 C ATOM 819 CD1 TYR A 51 0.529 12.759 0.913 1.00 0.00 C ATOM 820 CD2 TYR A 51 1.142 11.224 2.630 1.00 0.00 C ATOM 821 CE1 TYR A 51 0.195 13.701 1.868 1.00 0.00 C ATOM 822 CE2 TYR A 51 0.810 12.160 3.591 1.00 0.00 C ATOM 823 CZ TYR A 51 0.337 13.396 3.205 1.00 0.00 C ATOM 824 OH TYR A 51 0.004 14.330 4.159 1.00 0.00 O ATOM 0 H TYR A 51 0.691 11.310 -2.229 1.00 0.00 H new ATOM 0 HA TYR A 51 3.028 11.654 -0.445 1.00 0.00 H new ATOM 0 HB2 TYR A 51 0.455 10.081 -0.212 1.00 0.00 H new ATOM 0 HB3 TYR A 51 1.870 9.634 0.720 1.00 0.00 H new ATOM 0 HD1 TYR A 51 0.415 13.001 -0.133 1.00 0.00 H new ATOM 0 HD2 TYR A 51 1.511 10.257 2.937 1.00 0.00 H new ATOM 0 HE1 TYR A 51 -0.175 14.670 1.568 1.00 0.00 H new ATOM 0 HE2 TYR A 51 0.921 11.924 4.639 1.00 0.00 H new ATOM 0 HH TYR A 51 -0.971 14.396 4.226 1.00 0.00 H new ATOM 834 N GLU A 52 4.283 9.813 -1.528 1.00 0.00 N ATOM 835 CA GLU A 52 5.025 8.735 -2.163 1.00 0.00 C ATOM 836 C GLU A 52 4.984 7.499 -1.277 1.00 0.00 C ATOM 837 O GLU A 52 5.299 7.573 -0.094 1.00 0.00 O ATOM 838 CB GLU A 52 6.471 9.176 -2.432 1.00 0.00 C ATOM 839 CG GLU A 52 7.525 8.137 -2.074 1.00 0.00 C ATOM 840 CD GLU A 52 7.611 7.016 -3.092 1.00 0.00 C ATOM 841 OE1 GLU A 52 7.734 7.316 -4.298 1.00 0.00 O ATOM 842 OE2 GLU A 52 7.553 5.837 -2.682 1.00 0.00 O ATOM 0 H GLU A 52 4.858 10.513 -1.058 1.00 0.00 H new ATOM 0 HA GLU A 52 4.566 8.490 -3.121 1.00 0.00 H new ATOM 0 HB2 GLU A 52 6.570 9.427 -3.488 1.00 0.00 H new ATOM 0 HB3 GLU A 52 6.671 10.087 -1.868 1.00 0.00 H new ATOM 0 HG2 GLU A 52 8.497 8.624 -1.993 1.00 0.00 H new ATOM 0 HG3 GLU A 52 7.297 7.716 -1.095 1.00 0.00 H new ATOM 849 N GLY A 53 4.584 6.370 -1.857 1.00 0.00 N ATOM 850 CA GLY A 53 4.493 5.134 -1.101 1.00 0.00 C ATOM 851 C GLY A 53 5.234 3.989 -1.754 1.00 0.00 C ATOM 852 O GLY A 53 5.489 4.013 -2.957 1.00 0.00 O ATOM 0 H GLY A 53 4.321 6.290 -2.839 1.00 0.00 H new ATOM 0 HA2 GLY A 53 4.894 5.296 -0.100 1.00 0.00 H new ATOM 0 HA3 GLY A 53 3.444 4.862 -0.984 1.00 0.00 H new ATOM 856 N GLN A 54 5.586 2.985 -0.957 1.00 0.00 N ATOM 857 CA GLN A 54 6.311 1.832 -1.473 1.00 0.00 C ATOM 858 C GLN A 54 5.708 0.523 -0.976 1.00 0.00 C ATOM 859 O GLN A 54 5.647 0.274 0.228 1.00 0.00 O ATOM 860 CB GLN A 54 7.785 1.909 -1.071 1.00 0.00 C ATOM 861 CG GLN A 54 8.572 0.649 -1.395 1.00 0.00 C ATOM 862 CD GLN A 54 10.002 0.940 -1.809 1.00 0.00 C ATOM 863 OE1 GLN A 54 10.590 0.210 -2.605 1.00 0.00 O ATOM 864 NE2 GLN A 54 10.571 2.012 -1.266 1.00 0.00 N ATOM 0 H GLN A 54 5.382 2.947 0.042 1.00 0.00 H new ATOM 0 HA GLN A 54 6.230 1.851 -2.560 1.00 0.00 H new ATOM 0 HB2 GLN A 54 8.247 2.756 -1.578 1.00 0.00 H new ATOM 0 HB3 GLN A 54 7.851 2.103 -0.000 1.00 0.00 H new ATOM 0 HG2 GLN A 54 8.577 -0.005 -0.523 1.00 0.00 H new ATOM 0 HG3 GLN A 54 8.069 0.108 -2.197 1.00 0.00 H new ATOM 0 HE21 GLN A 54 10.047 2.590 -0.610 1.00 0.00 H new ATOM 0 HE22 GLN A 54 11.532 2.256 -1.506 1.00 0.00 H new ATOM 873 N LEU A 55 5.287 -0.319 -1.911 1.00 0.00 N ATOM 874 CA LEU A 55 4.717 -1.613 -1.565 1.00 0.00 C ATOM 875 C LEU A 55 5.670 -2.729 -1.974 1.00 0.00 C ATOM 876 O LEU A 55 5.825 -3.025 -3.158 1.00 0.00 O ATOM 877 CB LEU A 55 3.358 -1.803 -2.241 1.00 0.00 C ATOM 878 CG LEU A 55 2.153 -1.379 -1.401 1.00 0.00 C ATOM 879 CD1 LEU A 55 0.943 -1.140 -2.289 1.00 0.00 C ATOM 880 CD2 LEU A 55 1.839 -2.426 -0.346 1.00 0.00 C ATOM 0 H LEU A 55 5.330 -0.129 -2.912 1.00 0.00 H new ATOM 0 HA LEU A 55 4.570 -1.650 -0.486 1.00 0.00 H new ATOM 0 HB2 LEU A 55 3.350 -1.236 -3.172 1.00 0.00 H new ATOM 0 HB3 LEU A 55 3.245 -2.854 -2.506 1.00 0.00 H new ATOM 0 HG LEU A 55 2.400 -0.446 -0.895 1.00 0.00 H new ATOM 0 HD11 LEU A 55 0.095 -0.839 -1.675 1.00 0.00 H new ATOM 0 HD12 LEU A 55 1.169 -0.352 -3.007 1.00 0.00 H new ATOM 0 HD13 LEU A 55 0.697 -2.058 -2.823 1.00 0.00 H new ATOM 0 HD21 LEU A 55 0.978 -2.105 0.241 1.00 0.00 H new ATOM 0 HD22 LEU A 55 1.613 -3.375 -0.832 1.00 0.00 H new ATOM 0 HD23 LEU A 55 2.700 -2.550 0.311 1.00 0.00 H new ATOM 892 N ILE A 56 6.312 -3.336 -0.983 1.00 0.00 N ATOM 893 CA ILE A 56 7.258 -4.414 -1.233 1.00 0.00 C ATOM 894 C ILE A 56 6.729 -5.735 -0.697 1.00 0.00 C ATOM 895 O ILE A 56 6.489 -5.877 0.502 1.00 0.00 O ATOM 896 CB ILE A 56 8.627 -4.121 -0.582 1.00 0.00 C ATOM 897 CG1 ILE A 56 9.199 -2.810 -1.115 1.00 0.00 C ATOM 898 CG2 ILE A 56 9.599 -5.263 -0.833 1.00 0.00 C ATOM 899 CD1 ILE A 56 10.189 -2.154 -0.176 1.00 0.00 C ATOM 0 H ILE A 56 6.194 -3.099 0.002 1.00 0.00 H new ATOM 0 HA ILE A 56 7.385 -4.484 -2.313 1.00 0.00 H new ATOM 0 HB ILE A 56 8.481 -4.027 0.494 1.00 0.00 H new ATOM 0 HG12 ILE A 56 9.688 -2.999 -2.071 1.00 0.00 H new ATOM 0 HG13 ILE A 56 8.380 -2.117 -1.307 1.00 0.00 H new ATOM 0 HG21 ILE A 56 10.557 -5.035 -0.365 1.00 0.00 H new ATOM 0 HG22 ILE A 56 9.197 -6.183 -0.408 1.00 0.00 H new ATOM 0 HG23 ILE A 56 9.741 -5.391 -1.906 1.00 0.00 H new ATOM 0 HD11 ILE A 56 10.553 -1.228 -0.621 1.00 0.00 H new ATOM 0 HD12 ILE A 56 9.699 -1.933 0.773 1.00 0.00 H new ATOM 0 HD13 ILE A 56 11.028 -2.828 -0.003 1.00 0.00 H new ATOM 911 N SER A 57 6.557 -6.704 -1.587 1.00 0.00 N ATOM 912 CA SER A 57 6.065 -8.011 -1.187 1.00 0.00 C ATOM 913 C SER A 57 7.198 -8.854 -0.630 1.00 0.00 C ATOM 914 O SER A 57 8.296 -8.894 -1.181 1.00 0.00 O ATOM 915 CB SER A 57 5.406 -8.729 -2.361 1.00 0.00 C ATOM 916 OG SER A 57 4.839 -7.804 -3.271 1.00 0.00 O ATOM 0 H SER A 57 6.750 -6.608 -2.584 1.00 0.00 H new ATOM 0 HA SER A 57 5.315 -7.866 -0.409 1.00 0.00 H new ATOM 0 HB2 SER A 57 6.144 -9.344 -2.876 1.00 0.00 H new ATOM 0 HB3 SER A 57 4.632 -9.402 -1.992 1.00 0.00 H new ATOM 0 HG SER A 57 4.256 -7.183 -2.786 1.00 0.00 H new ATOM 922 N ILE A 58 6.916 -9.505 0.483 1.00 0.00 N ATOM 923 CA ILE A 58 7.889 -10.354 1.159 1.00 0.00 C ATOM 924 C ILE A 58 7.437 -11.815 1.205 1.00 0.00 C ATOM 925 O ILE A 58 6.299 -12.110 1.580 1.00 0.00 O ATOM 926 CB ILE A 58 8.172 -9.843 2.588 1.00 0.00 C ATOM 927 CG1 ILE A 58 9.147 -8.669 2.527 1.00 0.00 C ATOM 928 CG2 ILE A 58 8.729 -10.954 3.469 1.00 0.00 C ATOM 929 CD1 ILE A 58 8.474 -7.317 2.612 1.00 0.00 C ATOM 0 H ILE A 58 6.008 -9.463 0.946 1.00 0.00 H new ATOM 0 HA ILE A 58 8.810 -10.305 0.578 1.00 0.00 H new ATOM 0 HB ILE A 58 7.234 -9.510 3.031 1.00 0.00 H new ATOM 0 HG12 ILE A 58 9.864 -8.760 3.343 1.00 0.00 H new ATOM 0 HG13 ILE A 58 9.713 -8.726 1.597 1.00 0.00 H new ATOM 0 HG21 ILE A 58 8.919 -10.565 4.469 1.00 0.00 H new ATOM 0 HG22 ILE A 58 8.007 -11.768 3.527 1.00 0.00 H new ATOM 0 HG23 ILE A 58 9.661 -11.325 3.041 1.00 0.00 H new ATOM 0 HD11 ILE A 58 9.228 -6.531 2.562 1.00 0.00 H new ATOM 0 HD12 ILE A 58 7.778 -7.204 1.781 1.00 0.00 H new ATOM 0 HD13 ILE A 58 7.931 -7.240 3.554 1.00 0.00 H new ATOM 941 N GLN A 59 8.342 -12.722 0.841 1.00 0.00 N ATOM 942 CA GLN A 59 8.051 -14.155 0.858 1.00 0.00 C ATOM 943 C GLN A 59 8.335 -14.741 2.237 1.00 0.00 C ATOM 944 O GLN A 59 8.701 -14.018 3.165 1.00 0.00 O ATOM 945 CB GLN A 59 8.891 -14.888 -0.193 1.00 0.00 C ATOM 946 CG GLN A 59 8.072 -15.741 -1.152 1.00 0.00 C ATOM 947 CD GLN A 59 7.238 -16.788 -0.441 1.00 0.00 C ATOM 948 OE1 GLN A 59 7.650 -17.941 -0.308 1.00 0.00 O ATOM 949 NE2 GLN A 59 6.059 -16.390 0.021 1.00 0.00 N ATOM 0 H GLN A 59 9.285 -12.489 0.530 1.00 0.00 H new ATOM 0 HA GLN A 59 6.995 -14.288 0.624 1.00 0.00 H new ATOM 0 HB2 GLN A 59 9.457 -14.155 -0.767 1.00 0.00 H new ATOM 0 HB3 GLN A 59 9.616 -15.524 0.315 1.00 0.00 H new ATOM 0 HG2 GLN A 59 7.416 -15.095 -1.736 1.00 0.00 H new ATOM 0 HG3 GLN A 59 8.743 -16.234 -1.856 1.00 0.00 H new ATOM 0 HE21 GLN A 59 5.759 -15.424 -0.112 1.00 0.00 H new ATOM 0 HE22 GLN A 59 5.453 -17.050 0.509 1.00 0.00 H new ATOM 958 N GLN A 60 8.172 -16.053 2.363 1.00 0.00 N ATOM 959 CA GLN A 60 8.418 -16.734 3.627 1.00 0.00 C ATOM 960 C GLN A 60 9.885 -16.615 4.023 1.00 0.00 C ATOM 961 O GLN A 60 10.219 -16.597 5.208 1.00 0.00 O ATOM 962 CB GLN A 60 8.022 -18.209 3.523 1.00 0.00 C ATOM 963 CG GLN A 60 6.720 -18.438 2.773 1.00 0.00 C ATOM 964 CD GLN A 60 5.673 -19.134 3.621 1.00 0.00 C ATOM 965 OE1 GLN A 60 4.490 -18.799 3.567 1.00 0.00 O ATOM 966 NE2 GLN A 60 6.107 -20.108 4.412 1.00 0.00 N ATOM 0 H GLN A 60 7.871 -16.666 1.605 1.00 0.00 H new ATOM 0 HA GLN A 60 7.809 -16.258 4.396 1.00 0.00 H new ATOM 0 HB2 GLN A 60 8.821 -18.757 3.023 1.00 0.00 H new ATOM 0 HB3 GLN A 60 7.931 -18.624 4.527 1.00 0.00 H new ATOM 0 HG2 GLN A 60 6.328 -17.480 2.432 1.00 0.00 H new ATOM 0 HG3 GLN A 60 6.918 -19.036 1.883 1.00 0.00 H new ATOM 0 HE21 GLN A 60 7.097 -20.352 4.424 1.00 0.00 H new ATOM 0 HE22 GLN A 60 5.450 -20.612 5.007 1.00 0.00 H new ATOM 975 N TYR A 61 10.758 -16.533 3.022 1.00 0.00 N ATOM 976 CA TYR A 61 12.190 -16.412 3.264 1.00 0.00 C ATOM 977 C TYR A 61 12.659 -14.974 3.058 1.00 0.00 C ATOM 978 O TYR A 61 13.843 -14.671 3.206 1.00 0.00 O ATOM 979 CB TYR A 61 12.971 -17.360 2.349 1.00 0.00 C ATOM 980 CG TYR A 61 12.777 -17.093 0.873 1.00 0.00 C ATOM 981 CD1 TYR A 61 11.652 -17.559 0.203 1.00 0.00 C ATOM 982 CD2 TYR A 61 13.723 -16.378 0.148 1.00 0.00 C ATOM 983 CE1 TYR A 61 11.475 -17.319 -1.147 1.00 0.00 C ATOM 984 CE2 TYR A 61 13.552 -16.134 -1.202 1.00 0.00 C ATOM 985 CZ TYR A 61 12.427 -16.607 -1.845 1.00 0.00 C ATOM 986 OH TYR A 61 12.255 -16.368 -3.189 1.00 0.00 O ATOM 0 H TYR A 61 10.497 -16.548 2.036 1.00 0.00 H new ATOM 0 HA TYR A 61 12.381 -16.689 4.301 1.00 0.00 H new ATOM 0 HB2 TYR A 61 14.032 -17.283 2.585 1.00 0.00 H new ATOM 0 HB3 TYR A 61 12.670 -18.385 2.564 1.00 0.00 H new ATOM 0 HD1 TYR A 61 10.904 -18.118 0.746 1.00 0.00 H new ATOM 0 HD2 TYR A 61 14.606 -16.007 0.647 1.00 0.00 H new ATOM 0 HE1 TYR A 61 10.595 -17.688 -1.653 1.00 0.00 H new ATOM 0 HE2 TYR A 61 14.296 -15.576 -1.751 1.00 0.00 H new ATOM 0 HH TYR A 61 13.016 -15.852 -3.529 1.00 0.00 H new ATOM 996 N GLY A 62 11.720 -14.090 2.726 1.00 0.00 N ATOM 997 CA GLY A 62 12.058 -12.692 2.517 1.00 0.00 C ATOM 998 C GLY A 62 12.160 -12.319 1.050 1.00 0.00 C ATOM 999 O GLY A 62 12.516 -13.152 0.215 1.00 0.00 O ATOM 0 H GLY A 62 10.734 -14.317 2.598 1.00 0.00 H new ATOM 0 HA2 GLY A 62 11.303 -12.066 2.993 1.00 0.00 H new ATOM 0 HA3 GLY A 62 13.007 -12.476 3.008 1.00 0.00 H new ATOM 1003 N HIS A 63 11.854 -11.058 0.745 1.00 0.00 N ATOM 1004 CA HIS A 63 11.914 -10.547 -0.625 1.00 0.00 C ATOM 1005 C HIS A 63 10.875 -11.217 -1.520 1.00 0.00 C ATOM 1006 O HIS A 63 10.584 -12.403 -1.375 1.00 0.00 O ATOM 1007 CB HIS A 63 13.314 -10.744 -1.210 1.00 0.00 C ATOM 1008 CG HIS A 63 13.821 -9.556 -1.969 1.00 0.00 C ATOM 1009 ND1 HIS A 63 13.612 -8.275 -1.518 1.00 0.00 N ATOM 1010 CD2 HIS A 63 14.513 -9.509 -3.133 1.00 0.00 C ATOM 1011 CE1 HIS A 63 14.179 -7.481 -2.409 1.00 0.00 C ATOM 1012 NE2 HIS A 63 14.738 -8.184 -3.405 1.00 0.00 N ATOM 0 H HIS A 63 11.560 -10.366 1.434 1.00 0.00 H new ATOM 0 HA HIS A 63 11.689 -9.481 -0.587 1.00 0.00 H new ATOM 0 HB2 HIS A 63 14.008 -10.970 -0.401 1.00 0.00 H new ATOM 0 HB3 HIS A 63 13.303 -11.610 -1.872 1.00 0.00 H new ATOM 0 HD2 HIS A 63 14.827 -10.352 -3.731 1.00 0.00 H new ATOM 0 HE1 HIS A 63 14.191 -6.403 -2.344 1.00 0.00 H new ATOM 0 HE2 HIS A 63 15.236 -7.805 -4.211 1.00 0.00 H new ATOM 1020 N GLN A 64 10.326 -10.444 -2.454 1.00 0.00 N ATOM 1021 CA GLN A 64 9.324 -10.953 -3.386 1.00 0.00 C ATOM 1022 C GLN A 64 9.060 -9.956 -4.503 1.00 0.00 C ATOM 1023 O GLN A 64 9.242 -10.261 -5.683 1.00 0.00 O ATOM 1024 CB GLN A 64 8.009 -11.243 -2.660 1.00 0.00 C ATOM 1025 CG GLN A 64 7.714 -12.716 -2.474 1.00 0.00 C ATOM 1026 CD GLN A 64 8.184 -13.566 -3.640 1.00 0.00 C ATOM 1027 OE1 GLN A 64 7.457 -13.760 -4.616 1.00 0.00 O ATOM 1028 NE2 GLN A 64 9.406 -14.078 -3.546 1.00 0.00 N ATOM 0 H GLN A 64 10.559 -9.460 -2.585 1.00 0.00 H new ATOM 0 HA GLN A 64 9.717 -11.875 -3.814 1.00 0.00 H new ATOM 0 HB2 GLN A 64 8.034 -10.763 -1.682 1.00 0.00 H new ATOM 0 HB3 GLN A 64 7.191 -10.788 -3.218 1.00 0.00 H new ATOM 0 HG2 GLN A 64 8.195 -13.065 -1.560 1.00 0.00 H new ATOM 0 HG3 GLN A 64 6.641 -12.852 -2.341 1.00 0.00 H new ATOM 0 HE21 GLN A 64 9.975 -13.892 -2.720 1.00 0.00 H new ATOM 0 HE22 GLN A 64 9.776 -14.657 -4.300 1.00 0.00 H new ATOM 1037 N GLU A 65 8.605 -8.768 -4.121 1.00 0.00 N ATOM 1038 CA GLU A 65 8.284 -7.724 -5.084 1.00 0.00 C ATOM 1039 C GLU A 65 8.623 -6.342 -4.546 1.00 0.00 C ATOM 1040 O GLU A 65 8.445 -6.070 -3.364 1.00 0.00 O ATOM 1041 CB GLU A 65 6.793 -7.777 -5.409 1.00 0.00 C ATOM 1042 CG GLU A 65 6.472 -7.514 -6.870 1.00 0.00 C ATOM 1043 CD GLU A 65 5.176 -6.750 -7.053 1.00 0.00 C ATOM 1044 OE1 GLU A 65 4.137 -7.213 -6.538 1.00 0.00 O ATOM 1045 OE2 GLU A 65 5.200 -5.690 -7.713 1.00 0.00 O ATOM 0 H GLU A 65 8.450 -8.504 -3.148 1.00 0.00 H new ATOM 0 HA GLU A 65 8.880 -7.899 -5.980 1.00 0.00 H new ATOM 0 HB2 GLU A 65 6.406 -8.758 -5.133 1.00 0.00 H new ATOM 0 HB3 GLU A 65 6.271 -7.043 -4.795 1.00 0.00 H new ATOM 0 HG2 GLU A 65 7.288 -6.951 -7.322 1.00 0.00 H new ATOM 0 HG3 GLU A 65 6.408 -8.464 -7.401 1.00 0.00 H new ATOM 1052 N VAL A 66 9.082 -5.463 -5.428 1.00 0.00 N ATOM 1053 CA VAL A 66 9.406 -4.098 -5.041 1.00 0.00 C ATOM 1054 C VAL A 66 8.827 -3.115 -6.045 1.00 0.00 C ATOM 1055 O VAL A 66 9.237 -3.086 -7.206 1.00 0.00 O ATOM 1056 CB VAL A 66 10.921 -3.859 -4.923 1.00 0.00 C ATOM 1057 CG1 VAL A 66 11.196 -2.400 -4.578 1.00 0.00 C ATOM 1058 CG2 VAL A 66 11.528 -4.785 -3.881 1.00 0.00 C ATOM 0 H VAL A 66 9.238 -5.671 -6.414 1.00 0.00 H new ATOM 0 HA VAL A 66 8.965 -3.941 -4.057 1.00 0.00 H new ATOM 0 HB VAL A 66 11.387 -4.081 -5.883 1.00 0.00 H new ATOM 0 HG11 VAL A 66 12.271 -2.242 -4.497 1.00 0.00 H new ATOM 0 HG12 VAL A 66 10.793 -1.759 -5.362 1.00 0.00 H new ATOM 0 HG13 VAL A 66 10.721 -2.155 -3.628 1.00 0.00 H new ATOM 0 HG21 VAL A 66 12.600 -4.601 -3.812 1.00 0.00 H new ATOM 0 HG22 VAL A 66 11.064 -4.597 -2.913 1.00 0.00 H new ATOM 0 HG23 VAL A 66 11.355 -5.822 -4.171 1.00 0.00 H new ATOM 1068 N THR A 67 7.872 -2.315 -5.596 1.00 0.00 N ATOM 1069 CA THR A 67 7.235 -1.337 -6.460 1.00 0.00 C ATOM 1070 C THR A 67 7.064 -0.004 -5.733 1.00 0.00 C ATOM 1071 O THR A 67 6.408 0.070 -4.693 1.00 0.00 O ATOM 1072 CB THR A 67 5.869 -1.862 -6.954 1.00 0.00 C ATOM 1073 OG1 THR A 67 6.056 -2.685 -8.113 1.00 0.00 O ATOM 1074 CG2 THR A 67 4.919 -0.723 -7.292 1.00 0.00 C ATOM 0 H THR A 67 7.522 -2.325 -4.638 1.00 0.00 H new ATOM 0 HA THR A 67 7.878 -1.175 -7.325 1.00 0.00 H new ATOM 0 HB THR A 67 5.426 -2.446 -6.147 1.00 0.00 H new ATOM 0 HG1 THR A 67 5.786 -3.605 -7.908 1.00 0.00 H new ATOM 0 HG21 THR A 67 3.969 -1.132 -7.636 1.00 0.00 H new ATOM 0 HG22 THR A 67 4.752 -0.113 -6.404 1.00 0.00 H new ATOM 0 HG23 THR A 67 5.355 -0.107 -8.079 1.00 0.00 H new ATOM 1082 N ARG A 68 7.668 1.044 -6.287 1.00 0.00 N ATOM 1083 CA ARG A 68 7.597 2.378 -5.696 1.00 0.00 C ATOM 1084 C ARG A 68 6.789 3.323 -6.579 1.00 0.00 C ATOM 1085 O ARG A 68 6.981 3.368 -7.794 1.00 0.00 O ATOM 1086 CB ARG A 68 9.006 2.939 -5.484 1.00 0.00 C ATOM 1087 CG ARG A 68 10.064 1.866 -5.272 1.00 0.00 C ATOM 1088 CD ARG A 68 11.397 2.263 -5.886 1.00 0.00 C ATOM 1089 NE ARG A 68 12.056 3.325 -5.129 1.00 0.00 N ATOM 1090 CZ ARG A 68 12.694 4.346 -5.692 1.00 0.00 C ATOM 1091 NH1 ARG A 68 12.762 4.443 -7.013 1.00 0.00 N ATOM 1092 NH2 ARG A 68 13.265 5.274 -4.935 1.00 0.00 N ATOM 0 H ARG A 68 8.214 0.995 -7.147 1.00 0.00 H new ATOM 0 HA ARG A 68 7.096 2.295 -4.731 1.00 0.00 H new ATOM 0 HB2 ARG A 68 9.281 3.543 -6.349 1.00 0.00 H new ATOM 0 HB3 ARG A 68 8.997 3.604 -4.620 1.00 0.00 H new ATOM 0 HG2 ARG A 68 10.193 1.688 -4.204 1.00 0.00 H new ATOM 0 HG3 ARG A 68 9.725 0.928 -5.713 1.00 0.00 H new ATOM 0 HD2 ARG A 68 12.050 1.391 -5.930 1.00 0.00 H new ATOM 0 HD3 ARG A 68 11.239 2.594 -6.912 1.00 0.00 H new ATOM 0 HE ARG A 68 12.025 3.280 -4.110 1.00 0.00 H new ATOM 0 HH11 ARG A 68 12.324 3.733 -7.600 1.00 0.00 H new ATOM 0 HH12 ARG A 68 13.252 5.228 -7.442 1.00 0.00 H new ATOM 0 HH21 ARG A 68 13.215 5.205 -3.919 1.00 0.00 H new ATOM 0 HH22 ARG A 68 13.754 6.057 -5.369 1.00 0.00 H new ATOM 1106 N PHE A 69 5.885 4.079 -5.961 1.00 0.00 N ATOM 1107 CA PHE A 69 5.049 5.025 -6.700 1.00 0.00 C ATOM 1108 C PHE A 69 4.530 6.147 -5.805 1.00 0.00 C ATOM 1109 O PHE A 69 4.387 5.974 -4.597 1.00 0.00 O ATOM 1110 CB PHE A 69 3.868 4.299 -7.351 1.00 0.00 C ATOM 1111 CG PHE A 69 3.113 3.391 -6.415 1.00 0.00 C ATOM 1112 CD1 PHE A 69 2.382 3.906 -5.355 1.00 0.00 C ATOM 1113 CD2 PHE A 69 3.133 2.019 -6.603 1.00 0.00 C ATOM 1114 CE1 PHE A 69 1.688 3.070 -4.501 1.00 0.00 C ATOM 1115 CE2 PHE A 69 2.441 1.177 -5.751 1.00 0.00 C ATOM 1116 CZ PHE A 69 1.717 1.703 -4.700 1.00 0.00 C ATOM 0 H PHE A 69 5.712 4.057 -4.956 1.00 0.00 H new ATOM 0 HA PHE A 69 5.675 5.472 -7.473 1.00 0.00 H new ATOM 0 HB2 PHE A 69 3.179 5.040 -7.756 1.00 0.00 H new ATOM 0 HB3 PHE A 69 4.235 3.712 -8.192 1.00 0.00 H new ATOM 0 HD1 PHE A 69 2.355 4.974 -5.195 1.00 0.00 H new ATOM 0 HD2 PHE A 69 3.696 1.601 -7.425 1.00 0.00 H new ATOM 0 HE1 PHE A 69 1.124 3.485 -3.679 1.00 0.00 H new ATOM 0 HE2 PHE A 69 2.467 0.109 -5.908 1.00 0.00 H new ATOM 0 HZ PHE A 69 1.174 1.048 -4.035 1.00 0.00 H new ATOM 1126 N ASP A 70 4.224 7.289 -6.416 1.00 0.00 N ATOM 1127 CA ASP A 70 3.687 8.433 -5.690 1.00 0.00 C ATOM 1128 C ASP A 70 2.177 8.504 -5.892 1.00 0.00 C ATOM 1129 O ASP A 70 1.698 8.569 -7.025 1.00 0.00 O ATOM 1130 CB ASP A 70 4.345 9.731 -6.166 1.00 0.00 C ATOM 1131 CG ASP A 70 4.748 9.678 -7.628 1.00 0.00 C ATOM 1132 OD1 ASP A 70 3.928 9.225 -8.454 1.00 0.00 O ATOM 1133 OD2 ASP A 70 5.883 10.090 -7.946 1.00 0.00 O ATOM 0 H ASP A 70 4.340 7.445 -7.417 1.00 0.00 H new ATOM 0 HA ASP A 70 3.903 8.310 -4.629 1.00 0.00 H new ATOM 0 HB2 ASP A 70 3.655 10.561 -6.013 1.00 0.00 H new ATOM 0 HB3 ASP A 70 5.226 9.932 -5.557 1.00 0.00 H new ATOM 1138 N PHE A 71 1.429 8.466 -4.795 1.00 0.00 N ATOM 1139 CA PHE A 71 -0.029 8.499 -4.868 1.00 0.00 C ATOM 1140 C PHE A 71 -0.629 9.394 -3.794 1.00 0.00 C ATOM 1141 O PHE A 71 0.013 9.717 -2.799 1.00 0.00 O ATOM 1142 CB PHE A 71 -0.598 7.084 -4.717 1.00 0.00 C ATOM 1143 CG PHE A 71 -0.812 6.667 -3.281 1.00 0.00 C ATOM 1144 CD1 PHE A 71 -1.954 7.054 -2.584 1.00 0.00 C ATOM 1145 CD2 PHE A 71 0.134 5.894 -2.626 1.00 0.00 C ATOM 1146 CE1 PHE A 71 -2.140 6.676 -1.269 1.00 0.00 C ATOM 1147 CE2 PHE A 71 -0.051 5.515 -1.310 1.00 0.00 C ATOM 1148 CZ PHE A 71 -1.188 5.906 -0.632 1.00 0.00 C ATOM 0 H PHE A 71 1.805 8.413 -3.848 1.00 0.00 H new ATOM 0 HA PHE A 71 -0.295 8.907 -5.843 1.00 0.00 H new ATOM 0 HB2 PHE A 71 -1.548 7.025 -5.249 1.00 0.00 H new ATOM 0 HB3 PHE A 71 0.080 6.376 -5.195 1.00 0.00 H new ATOM 0 HD1 PHE A 71 -2.702 7.656 -3.077 1.00 0.00 H new ATOM 0 HD2 PHE A 71 1.026 5.584 -3.150 1.00 0.00 H new ATOM 0 HE1 PHE A 71 -3.030 6.983 -0.739 1.00 0.00 H new ATOM 0 HE2 PHE A 71 0.694 4.913 -0.812 1.00 0.00 H new ATOM 0 HZ PHE A 71 -1.333 5.610 0.396 1.00 0.00 H new ATOM 1158 N THR A 72 -1.892 9.745 -3.990 1.00 0.00 N ATOM 1159 CA THR A 72 -2.621 10.556 -3.031 1.00 0.00 C ATOM 1160 C THR A 72 -4.043 10.028 -2.888 1.00 0.00 C ATOM 1161 O THR A 72 -4.704 9.733 -3.885 1.00 0.00 O ATOM 1162 CB THR A 72 -2.662 12.039 -3.444 1.00 0.00 C ATOM 1163 OG1 THR A 72 -3.877 12.642 -2.984 1.00 0.00 O ATOM 1164 CG2 THR A 72 -2.557 12.192 -4.955 1.00 0.00 C ATOM 0 H THR A 72 -2.434 9.477 -4.811 1.00 0.00 H new ATOM 0 HA THR A 72 -2.098 10.490 -2.077 1.00 0.00 H new ATOM 0 HB THR A 72 -1.808 12.540 -2.987 1.00 0.00 H new ATOM 0 HG1 THR A 72 -4.455 12.838 -3.750 1.00 0.00 H new ATOM 0 HG21 THR A 72 -2.589 13.250 -5.217 1.00 0.00 H new ATOM 0 HG22 THR A 72 -1.617 11.761 -5.300 1.00 0.00 H new ATOM 0 HG23 THR A 72 -3.390 11.675 -5.432 1.00 0.00 H new