USER MOD reduce.3.24.130724 H: found=0, std=0, add=491, rem=0, adj=26 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 59 LYS NZ :NH3+ -119:sc=-0.00194 (180deg=-0.126) USER MOD Set 1.2: A 63 MET CE :methyl -164:sc= -0.0123 (180deg=0) USER MOD Set 2.1: A 27 HIS : no HE2:sc= -1.76 K(o=-9.1,f=-9.7) USER MOD Set 2.2: A 31 HIS :FLIP no HD1:sc= -7.36! F(o=-10,f=-9.1!) USER MOD Single : A 12 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 13 MET CE :methyl -144:sc= -0.302 (180deg=-1.29!) USER MOD Single : A 14 SER OG : rot 180:sc= -0.555 USER MOD Single : A 15 SER OG : rot 180:sc= 0 USER MOD Single : A 16 TYR OH : rot 180:sc= -0.0297 USER MOD Single : A 21 GLN :FLIP amide:sc= -1.83 F(o=-2.6,f=-1.8) USER MOD Single : A 22 THR OG1 : rot 110:sc= 1.2 USER MOD Single : A 23 SER OG : rot 100:sc= 0.802 USER MOD Single : A 28 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 29 LYS NZ :NH3+ 154:sc= 0 (180deg=-0.0165) USER MOD Single : A 30 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 34 SER OG : rot 180:sc= 0 USER MOD Single : A 35 SER OG : rot 180:sc= 0.0327 USER MOD Single : A 37 ASN : amide:sc= -1.61 X(o=-1.6,f=-1.1) USER MOD Single : A 42 SER OG : rot 172:sc= -1.12 USER MOD Single : A 43 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 44 LYS NZ :NH3+ -128:sc= -0.0159 (180deg=-0.235) USER MOD Single : A 45 CYS SG : rot 142:sc= 0.201 USER MOD Single : A 46 SER OG : rot 180:sc= -0.0875 USER MOD Single : A 50 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 51 THR OG1 : rot -128:sc= -0.261 USER MOD Single : A 52 MET CE :methyl -152:sc= -1.83 (180deg=-3.1!) USER MOD Single : A 53 SER OG : rot 180:sc= 0 USER MOD Single : A 55 LYS NZ :NH3+ -146:sc= 0 (180deg=-0.0609) USER MOD Single : A 57 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 58 SER OG : rot -117:sc= 1.12 USER MOD Single : A 65 LYS NZ :NH3+ 142:sc= 0 (180deg=-0.0478) USER MOD Single : A 66 SER OG : rot 180:sc= 0 USER MOD Single : A 68 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 71 TYR OH : rot 180:sc= 0 USER MOD ----------------------------------------------------------------- ATOM 163 N LYS A 12 -14.115 11.077 -3.640 1.00 0.00 N ATOM 164 CA LYS A 12 -13.448 9.783 -3.970 1.00 0.00 C ATOM 165 C LYS A 12 -14.457 8.635 -3.902 1.00 0.00 C ATOM 166 O LYS A 12 -15.628 8.842 -3.642 1.00 0.00 O ATOM 167 CB LYS A 12 -12.366 9.609 -2.903 1.00 0.00 C ATOM 168 CG LYS A 12 -11.307 10.701 -3.065 1.00 0.00 C ATOM 169 CD LYS A 12 -10.546 10.873 -1.749 1.00 0.00 C ATOM 170 CE LYS A 12 -11.368 11.743 -0.794 1.00 0.00 C ATOM 171 NZ LYS A 12 -10.844 11.423 0.563 1.00 0.00 N ATOM 0 HA LYS A 12 -13.031 9.780 -4.977 1.00 0.00 H new ATOM 0 HB2 LYS A 12 -12.809 9.663 -1.909 1.00 0.00 H new ATOM 0 HB3 LYS A 12 -11.906 8.625 -2.994 1.00 0.00 H new ATOM 0 HG2 LYS A 12 -10.616 10.436 -3.865 1.00 0.00 H new ATOM 0 HG3 LYS A 12 -11.779 11.641 -3.350 1.00 0.00 H new ATOM 0 HD2 LYS A 12 -10.354 9.900 -1.297 1.00 0.00 H new ATOM 0 HD3 LYS A 12 -9.576 11.335 -1.935 1.00 0.00 H new ATOM 0 HE2 LYS A 12 -11.250 12.802 -1.024 1.00 0.00 H new ATOM 0 HE3 LYS A 12 -12.432 11.517 -0.870 1.00 0.00 H new ATOM 0 HZ1 LYS A 12 -11.358 11.981 1.274 1.00 0.00 H new ATOM 0 HZ2 LYS A 12 -10.976 10.410 0.756 1.00 0.00 H new ATOM 0 HZ3 LYS A 12 -9.831 11.655 0.608 1.00 0.00 H new ATOM 185 N MET A 13 -14.010 7.428 -4.136 1.00 0.00 N ATOM 186 CA MET A 13 -14.936 6.255 -4.089 1.00 0.00 C ATOM 187 C MET A 13 -14.194 5.010 -3.589 1.00 0.00 C ATOM 188 O MET A 13 -13.304 4.499 -4.242 1.00 0.00 O ATOM 189 CB MET A 13 -15.438 6.053 -5.529 1.00 0.00 C ATOM 190 CG MET A 13 -14.267 6.053 -6.529 1.00 0.00 C ATOM 191 SD MET A 13 -14.109 7.691 -7.287 1.00 0.00 S ATOM 192 CE MET A 13 -15.649 7.651 -8.236 1.00 0.00 C ATOM 0 H MET A 13 -13.040 7.203 -4.358 1.00 0.00 H new ATOM 0 HA MET A 13 -15.766 6.425 -3.404 1.00 0.00 H new ATOM 0 HB2 MET A 13 -15.981 5.110 -5.599 1.00 0.00 H new ATOM 0 HB3 MET A 13 -16.141 6.845 -5.787 1.00 0.00 H new ATOM 0 HG2 MET A 13 -13.341 5.787 -6.019 1.00 0.00 H new ATOM 0 HG3 MET A 13 -14.434 5.300 -7.299 1.00 0.00 H new ATOM 0 HE1 MET A 13 -15.502 8.158 -9.190 1.00 0.00 H new ATOM 0 HE2 MET A 13 -15.938 6.616 -8.416 1.00 0.00 H new ATOM 0 HE3 MET A 13 -16.436 8.155 -7.675 1.00 0.00 H new ATOM 202 N SER A 14 -14.556 4.524 -2.429 1.00 0.00 N ATOM 203 CA SER A 14 -13.877 3.313 -1.873 1.00 0.00 C ATOM 204 C SER A 14 -14.295 2.066 -2.658 1.00 0.00 C ATOM 205 O SER A 14 -15.095 2.137 -3.571 1.00 0.00 O ATOM 206 CB SER A 14 -14.351 3.219 -0.422 1.00 0.00 C ATOM 207 OG SER A 14 -14.101 1.910 0.072 1.00 0.00 O ATOM 0 H SER A 14 -15.293 4.914 -1.842 1.00 0.00 H new ATOM 0 HA SER A 14 -12.791 3.382 -1.941 1.00 0.00 H new ATOM 0 HB2 SER A 14 -13.832 3.956 0.190 1.00 0.00 H new ATOM 0 HB3 SER A 14 -15.415 3.446 -0.360 1.00 0.00 H new ATOM 0 HG SER A 14 -14.403 1.848 1.002 1.00 0.00 H new ATOM 213 N SER A 15 -13.756 0.926 -2.303 1.00 0.00 N ATOM 214 CA SER A 15 -14.115 -0.335 -3.025 1.00 0.00 C ATOM 215 C SER A 15 -15.601 -0.648 -2.834 1.00 0.00 C ATOM 216 O SER A 15 -16.238 -1.219 -3.700 1.00 0.00 O ATOM 217 CB SER A 15 -13.254 -1.424 -2.386 1.00 0.00 C ATOM 218 OG SER A 15 -13.650 -1.604 -1.033 1.00 0.00 O ATOM 0 H SER A 15 -13.083 0.813 -1.545 1.00 0.00 H new ATOM 0 HA SER A 15 -13.940 -0.257 -4.098 1.00 0.00 H new ATOM 0 HB2 SER A 15 -13.363 -2.359 -2.936 1.00 0.00 H new ATOM 0 HB3 SER A 15 -12.201 -1.146 -2.435 1.00 0.00 H new ATOM 0 HG SER A 15 -13.100 -2.303 -0.622 1.00 0.00 H new ATOM 224 N TYR A 16 -16.155 -0.277 -1.708 1.00 0.00 N ATOM 225 CA TYR A 16 -17.604 -0.551 -1.454 1.00 0.00 C ATOM 226 C TYR A 16 -18.471 0.228 -2.446 1.00 0.00 C ATOM 227 O TYR A 16 -19.559 -0.192 -2.793 1.00 0.00 O ATOM 228 CB TYR A 16 -17.863 -0.071 -0.024 1.00 0.00 C ATOM 229 CG TYR A 16 -19.175 -0.634 0.466 1.00 0.00 C ATOM 230 CD1 TYR A 16 -19.263 -1.978 0.845 1.00 0.00 C ATOM 231 CD2 TYR A 16 -20.305 0.189 0.538 1.00 0.00 C ATOM 232 CE1 TYR A 16 -20.479 -2.501 1.298 1.00 0.00 C ATOM 233 CE2 TYR A 16 -21.523 -0.334 0.991 1.00 0.00 C ATOM 234 CZ TYR A 16 -21.611 -1.677 1.371 1.00 0.00 C ATOM 235 OH TYR A 16 -22.811 -2.192 1.817 1.00 0.00 O ATOM 0 H TYR A 16 -15.667 0.204 -0.952 1.00 0.00 H new ATOM 0 HA TYR A 16 -17.848 -1.606 -1.576 1.00 0.00 H new ATOM 0 HB2 TYR A 16 -17.051 -0.389 0.630 1.00 0.00 H new ATOM 0 HB3 TYR A 16 -17.888 1.018 0.006 1.00 0.00 H new ATOM 0 HD1 TYR A 16 -18.391 -2.613 0.788 1.00 0.00 H new ATOM 0 HD2 TYR A 16 -20.238 1.226 0.245 1.00 0.00 H new ATOM 0 HE1 TYR A 16 -20.546 -3.538 1.591 1.00 0.00 H new ATOM 0 HE2 TYR A 16 -22.395 0.301 1.047 1.00 0.00 H new ATOM 0 HH TYR A 16 -23.493 -1.488 1.807 1.00 0.00 H new ATOM 245 N ALA A 17 -17.994 1.357 -2.904 1.00 0.00 N ATOM 246 CA ALA A 17 -18.786 2.170 -3.879 1.00 0.00 C ATOM 247 C ALA A 17 -18.727 1.529 -5.267 1.00 0.00 C ATOM 248 O ALA A 17 -19.646 1.649 -6.054 1.00 0.00 O ATOM 249 CB ALA A 17 -18.114 3.544 -3.894 1.00 0.00 C ATOM 0 H ALA A 17 -17.090 1.752 -2.646 1.00 0.00 H new ATOM 0 HA ALA A 17 -19.838 2.237 -3.602 1.00 0.00 H new ATOM 0 HB1 ALA A 17 -18.640 4.199 -4.589 1.00 0.00 H new ATOM 0 HB2 ALA A 17 -18.146 3.976 -2.894 1.00 0.00 H new ATOM 0 HB3 ALA A 17 -17.076 3.438 -4.211 1.00 0.00 H new ATOM 255 N PHE A 18 -17.650 0.848 -5.569 1.00 0.00 N ATOM 256 CA PHE A 18 -17.521 0.192 -6.905 1.00 0.00 C ATOM 257 C PHE A 18 -18.306 -1.123 -6.927 1.00 0.00 C ATOM 258 O PHE A 18 -18.778 -1.555 -7.961 1.00 0.00 O ATOM 259 CB PHE A 18 -16.025 -0.075 -7.075 1.00 0.00 C ATOM 260 CG PHE A 18 -15.364 1.134 -7.694 1.00 0.00 C ATOM 261 CD1 PHE A 18 -15.757 1.571 -8.964 1.00 0.00 C ATOM 262 CD2 PHE A 18 -14.360 1.817 -6.997 1.00 0.00 C ATOM 263 CE1 PHE A 18 -15.144 2.692 -9.538 1.00 0.00 C ATOM 264 CE2 PHE A 18 -13.748 2.937 -7.571 1.00 0.00 C ATOM 265 CZ PHE A 18 -14.140 3.375 -8.842 1.00 0.00 C ATOM 0 H PHE A 18 -16.853 0.718 -4.946 1.00 0.00 H new ATOM 0 HA PHE A 18 -17.918 0.813 -7.708 1.00 0.00 H new ATOM 0 HB2 PHE A 18 -15.572 -0.295 -6.108 1.00 0.00 H new ATOM 0 HB3 PHE A 18 -15.870 -0.950 -7.706 1.00 0.00 H new ATOM 0 HD1 PHE A 18 -16.532 1.044 -9.501 1.00 0.00 H new ATOM 0 HD2 PHE A 18 -14.058 1.480 -6.017 1.00 0.00 H new ATOM 0 HE1 PHE A 18 -15.446 3.030 -10.518 1.00 0.00 H new ATOM 0 HE2 PHE A 18 -12.973 3.464 -7.034 1.00 0.00 H new ATOM 0 HZ PHE A 18 -13.668 4.239 -9.285 1.00 0.00 H new ATOM 275 N PHE A 19 -18.446 -1.759 -5.792 1.00 0.00 N ATOM 276 CA PHE A 19 -19.200 -3.050 -5.738 1.00 0.00 C ATOM 277 C PHE A 19 -20.668 -2.820 -6.108 1.00 0.00 C ATOM 278 O PHE A 19 -21.235 -3.543 -6.905 1.00 0.00 O ATOM 279 CB PHE A 19 -19.082 -3.527 -4.288 1.00 0.00 C ATOM 280 CG PHE A 19 -19.481 -4.980 -4.202 1.00 0.00 C ATOM 281 CD1 PHE A 19 -18.752 -5.951 -4.899 1.00 0.00 C ATOM 282 CD2 PHE A 19 -20.581 -5.358 -3.423 1.00 0.00 C ATOM 283 CE1 PHE A 19 -19.122 -7.298 -4.818 1.00 0.00 C ATOM 284 CE2 PHE A 19 -20.952 -6.706 -3.341 1.00 0.00 C ATOM 285 CZ PHE A 19 -20.223 -7.676 -4.039 1.00 0.00 C ATOM 0 H PHE A 19 -18.071 -1.440 -4.899 1.00 0.00 H new ATOM 0 HA PHE A 19 -18.804 -3.785 -6.439 1.00 0.00 H new ATOM 0 HB2 PHE A 19 -18.059 -3.398 -3.934 1.00 0.00 H new ATOM 0 HB3 PHE A 19 -19.721 -2.925 -3.643 1.00 0.00 H new ATOM 0 HD1 PHE A 19 -17.903 -5.660 -5.500 1.00 0.00 H new ATOM 0 HD2 PHE A 19 -21.144 -4.610 -2.885 1.00 0.00 H new ATOM 0 HE1 PHE A 19 -18.559 -8.046 -5.356 1.00 0.00 H new ATOM 0 HE2 PHE A 19 -21.800 -6.997 -2.739 1.00 0.00 H new ATOM 0 HZ PHE A 19 -20.509 -8.715 -3.977 1.00 0.00 H new ATOM 295 N VAL A 20 -21.284 -1.818 -5.532 1.00 0.00 N ATOM 296 CA VAL A 20 -22.717 -1.533 -5.844 1.00 0.00 C ATOM 297 C VAL A 20 -22.829 -0.808 -7.191 1.00 0.00 C ATOM 298 O VAL A 20 -23.820 -0.927 -7.886 1.00 0.00 O ATOM 299 CB VAL A 20 -23.204 -0.639 -4.697 1.00 0.00 C ATOM 300 CG1 VAL A 20 -24.665 -0.236 -4.929 1.00 0.00 C ATOM 301 CG2 VAL A 20 -23.096 -1.408 -3.377 1.00 0.00 C ATOM 0 H VAL A 20 -20.855 -1.184 -4.858 1.00 0.00 H new ATOM 0 HA VAL A 20 -23.314 -2.441 -5.926 1.00 0.00 H new ATOM 0 HB VAL A 20 -22.587 0.259 -4.656 1.00 0.00 H new ATOM 0 HG11 VAL A 20 -25.002 0.399 -4.109 1.00 0.00 H new ATOM 0 HG12 VAL A 20 -24.747 0.311 -5.868 1.00 0.00 H new ATOM 0 HG13 VAL A 20 -25.286 -1.130 -4.974 1.00 0.00 H new ATOM 0 HG21 VAL A 20 -23.441 -0.776 -2.559 1.00 0.00 H new ATOM 0 HG22 VAL A 20 -23.712 -2.306 -3.427 1.00 0.00 H new ATOM 0 HG23 VAL A 20 -22.057 -1.690 -3.204 1.00 0.00 H new ATOM 311 N GLN A 21 -21.820 -0.059 -7.560 1.00 0.00 N ATOM 312 CA GLN A 21 -21.865 0.675 -8.862 1.00 0.00 C ATOM 313 C GLN A 21 -21.592 -0.286 -10.021 1.00 0.00 C ATOM 314 O GLN A 21 -22.147 -0.149 -11.095 1.00 0.00 O ATOM 315 CB GLN A 21 -20.760 1.728 -8.767 1.00 0.00 C ATOM 316 CG GLN A 21 -20.880 2.704 -9.941 1.00 0.00 C ATOM 317 CD GLN A 21 -20.187 2.113 -11.169 1.00 0.00 C ATOM 318 OE1 GLN A 21 -20.894 1.822 -12.227 1.00 0.00 O flip ATOM 319 NE2 GLN A 21 -18.988 1.912 -11.167 1.00 0.00 N flip ATOM 0 H GLN A 21 -20.968 0.076 -7.016 1.00 0.00 H new ATOM 0 HA GLN A 21 -22.840 1.126 -9.046 1.00 0.00 H new ATOM 0 HB2 GLN A 21 -20.838 2.267 -7.823 1.00 0.00 H new ATOM 0 HB3 GLN A 21 -19.782 1.246 -8.780 1.00 0.00 H new ATOM 0 HG2 GLN A 21 -21.930 2.898 -10.161 1.00 0.00 H new ATOM 0 HG3 GLN A 21 -20.427 3.661 -9.680 1.00 0.00 H new ATOM 0 HE21 GLN A 21 -18.434 2.139 -10.341 1.00 0.00 H new ATOM 0 HE22 GLN A 21 -18.536 1.517 -11.991 1.00 0.00 H new ATOM 328 N THR A 22 -20.740 -1.257 -9.809 1.00 0.00 N ATOM 329 CA THR A 22 -20.423 -2.234 -10.894 1.00 0.00 C ATOM 330 C THR A 22 -21.477 -3.345 -10.928 1.00 0.00 C ATOM 331 O THR A 22 -21.749 -3.920 -11.966 1.00 0.00 O ATOM 332 CB THR A 22 -19.053 -2.805 -10.525 1.00 0.00 C ATOM 333 OG1 THR A 22 -18.127 -1.739 -10.363 1.00 0.00 O ATOM 334 CG2 THR A 22 -18.571 -3.739 -11.636 1.00 0.00 C ATOM 0 H THR A 22 -20.249 -1.415 -8.929 1.00 0.00 H new ATOM 0 HA THR A 22 -20.418 -1.770 -11.880 1.00 0.00 H new ATOM 0 HB THR A 22 -19.130 -3.365 -9.593 1.00 0.00 H new ATOM 0 HG1 THR A 22 -17.889 -1.653 -9.416 1.00 0.00 H new ATOM 0 HG21 THR A 22 -17.595 -4.145 -11.372 1.00 0.00 H new ATOM 0 HG22 THR A 22 -19.282 -4.556 -11.759 1.00 0.00 H new ATOM 0 HG23 THR A 22 -18.492 -3.183 -12.570 1.00 0.00 H new ATOM 342 N SER A 23 -22.068 -3.649 -9.801 1.00 0.00 N ATOM 343 CA SER A 23 -23.106 -4.722 -9.759 1.00 0.00 C ATOM 344 C SER A 23 -24.466 -4.160 -10.180 1.00 0.00 C ATOM 345 O SER A 23 -25.291 -4.860 -10.736 1.00 0.00 O ATOM 346 CB SER A 23 -23.143 -5.181 -8.301 1.00 0.00 C ATOM 347 OG SER A 23 -21.962 -5.914 -8.010 1.00 0.00 O ATOM 0 H SER A 23 -21.876 -3.199 -8.906 1.00 0.00 H new ATOM 0 HA SER A 23 -22.878 -5.543 -10.439 1.00 0.00 H new ATOM 0 HB2 SER A 23 -23.223 -4.319 -7.638 1.00 0.00 H new ATOM 0 HB3 SER A 23 -24.022 -5.801 -8.125 1.00 0.00 H new ATOM 0 HG SER A 23 -21.327 -5.337 -7.537 1.00 0.00 H new ATOM 353 N ARG A 24 -24.702 -2.898 -9.919 1.00 0.00 N ATOM 354 CA ARG A 24 -26.010 -2.282 -10.303 1.00 0.00 C ATOM 355 C ARG A 24 -26.180 -2.316 -11.824 1.00 0.00 C ATOM 356 O ARG A 24 -27.237 -2.640 -12.332 1.00 0.00 O ATOM 357 CB ARG A 24 -25.939 -0.836 -9.806 1.00 0.00 C ATOM 358 CG ARG A 24 -26.510 -0.754 -8.389 1.00 0.00 C ATOM 359 CD ARG A 24 -28.016 -0.495 -8.457 1.00 0.00 C ATOM 360 NE ARG A 24 -28.147 0.852 -9.079 1.00 0.00 N ATOM 361 CZ ARG A 24 -29.181 1.128 -9.825 1.00 0.00 C ATOM 362 NH1 ARG A 24 -29.355 0.503 -10.958 1.00 0.00 N ATOM 363 NH2 ARG A 24 -30.043 2.028 -9.438 1.00 0.00 N ATOM 0 H ARG A 24 -24.046 -2.268 -9.457 1.00 0.00 H new ATOM 0 HA ARG A 24 -26.857 -2.816 -9.872 1.00 0.00 H new ATOM 0 HB2 ARG A 24 -24.906 -0.488 -9.814 1.00 0.00 H new ATOM 0 HB3 ARG A 24 -26.500 -0.183 -10.474 1.00 0.00 H new ATOM 0 HG2 ARG A 24 -26.314 -1.683 -7.853 1.00 0.00 H new ATOM 0 HG3 ARG A 24 -26.018 0.044 -7.833 1.00 0.00 H new ATOM 0 HD2 ARG A 24 -28.521 -1.256 -9.052 1.00 0.00 H new ATOM 0 HD3 ARG A 24 -28.466 -0.517 -7.464 1.00 0.00 H new ATOM 0 HE ARG A 24 -27.428 1.559 -8.922 1.00 0.00 H new ATOM 0 HH11 ARG A 24 -28.682 -0.202 -11.260 1.00 0.00 H new ATOM 0 HH12 ARG A 24 -30.164 0.719 -11.541 1.00 0.00 H new ATOM 0 HH21 ARG A 24 -29.908 2.516 -8.552 1.00 0.00 H new ATOM 0 HH22 ARG A 24 -30.851 2.244 -10.021 1.00 0.00 H new ATOM 377 N GLU A 25 -25.143 -1.984 -12.552 1.00 0.00 N ATOM 378 CA GLU A 25 -25.235 -1.995 -14.045 1.00 0.00 C ATOM 379 C GLU A 25 -25.444 -3.426 -14.546 1.00 0.00 C ATOM 380 O GLU A 25 -26.094 -3.650 -15.550 1.00 0.00 O ATOM 381 CB GLU A 25 -23.894 -1.444 -14.538 1.00 0.00 C ATOM 382 CG GLU A 25 -24.121 -0.584 -15.782 1.00 0.00 C ATOM 383 CD GLU A 25 -22.812 0.104 -16.172 1.00 0.00 C ATOM 384 OE1 GLU A 25 -22.530 1.154 -15.618 1.00 0.00 O ATOM 385 OE2 GLU A 25 -22.114 -0.428 -17.019 1.00 0.00 O ATOM 0 H GLU A 25 -24.236 -1.706 -12.177 1.00 0.00 H new ATOM 0 HA GLU A 25 -26.073 -1.401 -14.410 1.00 0.00 H new ATOM 0 HB2 GLU A 25 -23.422 -0.851 -13.754 1.00 0.00 H new ATOM 0 HB3 GLU A 25 -23.215 -2.264 -14.769 1.00 0.00 H new ATOM 0 HG2 GLU A 25 -24.478 -1.203 -16.605 1.00 0.00 H new ATOM 0 HG3 GLU A 25 -24.892 0.161 -15.586 1.00 0.00 H new ATOM 392 N GLU A 26 -24.901 -4.392 -13.851 1.00 0.00 N ATOM 393 CA GLU A 26 -25.068 -5.814 -14.276 1.00 0.00 C ATOM 394 C GLU A 26 -26.231 -6.462 -13.519 1.00 0.00 C ATOM 395 O GLU A 26 -26.276 -7.667 -13.351 1.00 0.00 O ATOM 396 CB GLU A 26 -23.746 -6.493 -13.913 1.00 0.00 C ATOM 397 CG GLU A 26 -23.666 -7.855 -14.604 1.00 0.00 C ATOM 398 CD GLU A 26 -22.229 -8.375 -14.542 1.00 0.00 C ATOM 399 OE1 GLU A 26 -21.349 -7.687 -15.031 1.00 0.00 O ATOM 400 OE2 GLU A 26 -22.033 -9.453 -14.006 1.00 0.00 O ATOM 0 H GLU A 26 -24.348 -4.257 -13.005 1.00 0.00 H new ATOM 0 HA GLU A 26 -25.294 -5.903 -15.338 1.00 0.00 H new ATOM 0 HB2 GLU A 26 -22.907 -5.868 -14.220 1.00 0.00 H new ATOM 0 HB3 GLU A 26 -23.673 -6.617 -12.832 1.00 0.00 H new ATOM 0 HG2 GLU A 26 -24.341 -8.561 -14.119 1.00 0.00 H new ATOM 0 HG3 GLU A 26 -23.988 -7.768 -15.642 1.00 0.00 H new ATOM 407 N HIS A 27 -27.172 -5.672 -13.062 1.00 0.00 N ATOM 408 CA HIS A 27 -28.336 -6.235 -12.315 1.00 0.00 C ATOM 409 C HIS A 27 -29.582 -6.228 -13.203 1.00 0.00 C ATOM 410 O HIS A 27 -30.310 -7.199 -13.273 1.00 0.00 O ATOM 411 CB HIS A 27 -28.524 -5.303 -11.118 1.00 0.00 C ATOM 412 CG HIS A 27 -29.565 -5.874 -10.195 1.00 0.00 C ATOM 413 ND1 HIS A 27 -29.230 -6.624 -9.078 1.00 0.00 N ATOM 414 CD2 HIS A 27 -30.936 -5.812 -10.208 1.00 0.00 C ATOM 415 CE1 HIS A 27 -30.377 -6.982 -8.472 1.00 0.00 C ATOM 416 NE2 HIS A 27 -31.447 -6.513 -9.121 1.00 0.00 N ATOM 0 H HIS A 27 -27.182 -4.658 -13.175 1.00 0.00 H new ATOM 0 HA HIS A 27 -28.172 -7.267 -12.005 1.00 0.00 H new ATOM 0 HB2 HIS A 27 -27.580 -5.181 -10.587 1.00 0.00 H new ATOM 0 HB3 HIS A 27 -28.828 -4.313 -11.459 1.00 0.00 H new ATOM 0 HD1 HIS A 27 -28.286 -6.861 -8.772 1.00 0.00 H new ATOM 0 HD2 HIS A 27 -31.528 -5.297 -10.950 1.00 0.00 H new ATOM 0 HE1 HIS A 27 -30.427 -7.576 -7.571 1.00 0.00 H new ATOM 424 N LYS A 28 -29.829 -5.135 -13.881 1.00 0.00 N ATOM 425 CA LYS A 28 -31.030 -5.052 -14.769 1.00 0.00 C ATOM 426 C LYS A 28 -30.963 -6.126 -15.860 1.00 0.00 C ATOM 427 O LYS A 28 -31.977 -6.568 -16.368 1.00 0.00 O ATOM 428 CB LYS A 28 -30.974 -3.655 -15.392 1.00 0.00 C ATOM 429 CG LYS A 28 -32.346 -3.294 -15.966 1.00 0.00 C ATOM 430 CD LYS A 28 -32.389 -1.799 -16.284 1.00 0.00 C ATOM 431 CE LYS A 28 -32.523 -1.003 -14.984 1.00 0.00 C ATOM 432 NZ LYS A 28 -32.499 0.425 -15.404 1.00 0.00 N ATOM 0 H LYS A 28 -29.250 -4.295 -13.858 1.00 0.00 H new ATOM 0 HA LYS A 28 -31.956 -5.216 -14.218 1.00 0.00 H new ATOM 0 HB2 LYS A 28 -30.678 -2.922 -14.641 1.00 0.00 H new ATOM 0 HB3 LYS A 28 -30.220 -3.627 -16.179 1.00 0.00 H new ATOM 0 HG2 LYS A 28 -32.538 -3.874 -16.868 1.00 0.00 H new ATOM 0 HG3 LYS A 28 -33.129 -3.547 -15.251 1.00 0.00 H new ATOM 0 HD2 LYS A 28 -31.483 -1.503 -16.812 1.00 0.00 H new ATOM 0 HD3 LYS A 28 -33.228 -1.581 -16.944 1.00 0.00 H new ATOM 0 HE2 LYS A 28 -33.450 -1.247 -14.466 1.00 0.00 H new ATOM 0 HE3 LYS A 28 -31.706 -1.227 -14.298 1.00 0.00 H new ATOM 0 HZ1 LYS A 28 -32.586 1.035 -14.566 1.00 0.00 H new ATOM 0 HZ2 LYS A 28 -31.602 0.629 -15.889 1.00 0.00 H new ATOM 0 HZ3 LYS A 28 -33.292 0.610 -16.051 1.00 0.00 H new ATOM 446 N LYS A 29 -29.776 -6.543 -16.223 1.00 0.00 N ATOM 447 CA LYS A 29 -29.637 -7.589 -17.285 1.00 0.00 C ATOM 448 C LYS A 29 -30.328 -8.887 -16.854 1.00 0.00 C ATOM 449 O LYS A 29 -30.751 -9.674 -17.680 1.00 0.00 O ATOM 450 CB LYS A 29 -28.129 -7.812 -17.437 1.00 0.00 C ATOM 451 CG LYS A 29 -27.556 -6.786 -18.415 1.00 0.00 C ATOM 452 CD LYS A 29 -26.052 -7.018 -18.576 1.00 0.00 C ATOM 453 CE LYS A 29 -25.572 -6.376 -19.879 1.00 0.00 C ATOM 454 NZ LYS A 29 -25.834 -7.399 -20.930 1.00 0.00 N ATOM 0 H LYS A 29 -28.897 -6.205 -15.831 1.00 0.00 H new ATOM 0 HA LYS A 29 -30.100 -7.280 -18.222 1.00 0.00 H new ATOM 0 HB2 LYS A 29 -27.638 -7.720 -16.468 1.00 0.00 H new ATOM 0 HB3 LYS A 29 -27.935 -8.822 -17.798 1.00 0.00 H new ATOM 0 HG2 LYS A 29 -28.053 -6.872 -19.381 1.00 0.00 H new ATOM 0 HG3 LYS A 29 -27.742 -5.776 -18.049 1.00 0.00 H new ATOM 0 HD2 LYS A 29 -25.515 -6.591 -17.729 1.00 0.00 H new ATOM 0 HD3 LYS A 29 -25.837 -8.087 -18.584 1.00 0.00 H new ATOM 0 HE2 LYS A 29 -26.110 -5.451 -20.085 1.00 0.00 H new ATOM 0 HE3 LYS A 29 -24.513 -6.124 -19.828 1.00 0.00 H new ATOM 0 HZ1 LYS A 29 -25.959 -6.928 -21.849 1.00 0.00 H new ATOM 0 HZ2 LYS A 29 -25.029 -8.055 -20.984 1.00 0.00 H new ATOM 0 HZ3 LYS A 29 -26.697 -7.928 -20.692 1.00 0.00 H new ATOM 468 N LYS A 30 -30.441 -9.117 -15.570 1.00 0.00 N ATOM 469 CA LYS A 30 -31.102 -10.367 -15.083 1.00 0.00 C ATOM 470 C LYS A 30 -32.118 -10.056 -13.978 1.00 0.00 C ATOM 471 O LYS A 30 -32.482 -10.922 -13.205 1.00 0.00 O ATOM 472 CB LYS A 30 -29.962 -11.237 -14.541 1.00 0.00 C ATOM 473 CG LYS A 30 -29.212 -10.496 -13.421 1.00 0.00 C ATOM 474 CD LYS A 30 -27.732 -10.352 -13.788 1.00 0.00 C ATOM 475 CE LYS A 30 -27.078 -11.735 -13.828 1.00 0.00 C ATOM 476 NZ LYS A 30 -25.640 -11.472 -14.108 1.00 0.00 N ATOM 0 H LYS A 30 -30.104 -8.493 -14.837 1.00 0.00 H new ATOM 0 HA LYS A 30 -31.657 -10.867 -15.877 1.00 0.00 H new ATOM 0 HB2 LYS A 30 -30.362 -12.177 -14.160 1.00 0.00 H new ATOM 0 HB3 LYS A 30 -29.272 -11.487 -15.347 1.00 0.00 H new ATOM 0 HG2 LYS A 30 -29.654 -9.512 -13.265 1.00 0.00 H new ATOM 0 HG3 LYS A 30 -29.311 -11.042 -12.483 1.00 0.00 H new ATOM 0 HD2 LYS A 30 -27.633 -9.863 -14.757 1.00 0.00 H new ATOM 0 HD3 LYS A 30 -27.226 -9.720 -13.059 1.00 0.00 H new ATOM 0 HE2 LYS A 30 -27.206 -12.260 -12.881 1.00 0.00 H new ATOM 0 HE3 LYS A 30 -27.523 -12.360 -14.602 1.00 0.00 H new ATOM 0 HZ1 LYS A 30 -25.124 -12.374 -14.151 1.00 0.00 H new ATOM 0 HZ2 LYS A 30 -25.548 -10.977 -15.018 1.00 0.00 H new ATOM 0 HZ3 LYS A 30 -25.241 -10.881 -13.351 1.00 0.00 H new ATOM 490 N HIS A 31 -32.584 -8.832 -13.900 1.00 0.00 N ATOM 491 CA HIS A 31 -33.581 -8.472 -12.846 1.00 0.00 C ATOM 492 C HIS A 31 -34.578 -7.433 -13.392 1.00 0.00 C ATOM 493 O HIS A 31 -34.635 -6.321 -12.905 1.00 0.00 O ATOM 494 CB HIS A 31 -32.757 -7.885 -11.696 1.00 0.00 C ATOM 495 CG HIS A 31 -31.821 -8.937 -11.165 1.00 0.00 C ATOM 496 ND1 HIS A 31 -30.459 -8.952 -10.992 1.00 0.00 N flip ATOM 497 CD2 HIS A 31 -32.271 -10.178 -10.742 1.00 0.00 C flip ATOM 498 CE1 HIS A 31 -30.068 -10.181 -10.471 1.00 0.00 C flip ATOM 499 NE2 HIS A 31 -31.197 -10.882 -10.340 1.00 0.00 N flip ATOM 0 H HIS A 31 -32.316 -8.068 -14.521 1.00 0.00 H new ATOM 0 HA HIS A 31 -34.167 -9.331 -12.521 1.00 0.00 H new ATOM 0 HB2 HIS A 31 -32.191 -7.021 -12.044 1.00 0.00 H new ATOM 0 HB3 HIS A 31 -33.417 -7.536 -10.902 1.00 0.00 H new ATOM 0 HD2 HIS A 31 -33.296 -10.518 -10.736 1.00 0.00 H new ATOM 0 HE1 HIS A 31 -29.066 -10.500 -10.225 1.00 0.00 H new ATOM 0 HE2 HIS A 31 -31.240 -11.835 -9.979 1.00 0.00 H new ATOM 507 N PRO A 32 -35.341 -7.826 -14.392 1.00 0.00 N ATOM 508 CA PRO A 32 -36.334 -6.898 -14.986 1.00 0.00 C ATOM 509 C PRO A 32 -37.518 -6.707 -14.035 1.00 0.00 C ATOM 510 O PRO A 32 -38.062 -5.625 -13.919 1.00 0.00 O ATOM 511 CB PRO A 32 -36.774 -7.607 -16.265 1.00 0.00 C ATOM 512 CG PRO A 32 -36.517 -9.058 -16.012 1.00 0.00 C ATOM 513 CD PRO A 32 -35.356 -9.142 -15.056 1.00 0.00 C ATOM 0 HA PRO A 32 -35.930 -5.904 -15.176 1.00 0.00 H new ATOM 0 HB2 PRO A 32 -37.828 -7.424 -16.475 1.00 0.00 H new ATOM 0 HB3 PRO A 32 -36.210 -7.251 -17.127 1.00 0.00 H new ATOM 0 HG2 PRO A 32 -37.400 -9.537 -15.589 1.00 0.00 H new ATOM 0 HG3 PRO A 32 -36.288 -9.577 -16.943 1.00 0.00 H new ATOM 0 HD2 PRO A 32 -35.490 -9.950 -14.337 1.00 0.00 H new ATOM 0 HD3 PRO A 32 -34.420 -9.334 -15.581 1.00 0.00 H new ATOM 521 N ASP A 33 -37.918 -7.753 -13.357 1.00 0.00 N ATOM 522 CA ASP A 33 -39.066 -7.644 -12.409 1.00 0.00 C ATOM 523 C ASP A 33 -38.584 -7.115 -11.055 1.00 0.00 C ATOM 524 O ASP A 33 -39.310 -6.437 -10.352 1.00 0.00 O ATOM 525 CB ASP A 33 -39.600 -9.070 -12.269 1.00 0.00 C ATOM 526 CG ASP A 33 -40.453 -9.418 -13.491 1.00 0.00 C ATOM 527 OD1 ASP A 33 -41.506 -8.822 -13.644 1.00 0.00 O ATOM 528 OD2 ASP A 33 -40.037 -10.275 -14.253 1.00 0.00 O ATOM 0 H ASP A 33 -37.497 -8.680 -13.420 1.00 0.00 H new ATOM 0 HA ASP A 33 -39.832 -6.955 -12.764 1.00 0.00 H new ATOM 0 HB2 ASP A 33 -38.772 -9.773 -12.179 1.00 0.00 H new ATOM 0 HB3 ASP A 33 -40.195 -9.159 -11.360 1.00 0.00 H new ATOM 533 N SER A 34 -37.366 -7.421 -10.690 1.00 0.00 N ATOM 534 CA SER A 34 -36.825 -6.940 -9.383 1.00 0.00 C ATOM 535 C SER A 34 -36.131 -5.587 -9.564 1.00 0.00 C ATOM 536 O SER A 34 -35.336 -5.405 -10.467 1.00 0.00 O ATOM 537 CB SER A 34 -35.818 -8.006 -8.956 1.00 0.00 C ATOM 538 OG SER A 34 -35.277 -7.658 -7.687 1.00 0.00 O ATOM 0 H SER A 34 -36.720 -7.985 -11.242 1.00 0.00 H new ATOM 0 HA SER A 34 -37.608 -6.798 -8.638 1.00 0.00 H new ATOM 0 HB2 SER A 34 -36.303 -8.981 -8.903 1.00 0.00 H new ATOM 0 HB3 SER A 34 -35.021 -8.087 -9.695 1.00 0.00 H new ATOM 0 HG SER A 34 -34.631 -8.341 -7.408 1.00 0.00 H new ATOM 544 N SER A 35 -36.429 -4.639 -8.711 1.00 0.00 N ATOM 545 CA SER A 35 -35.795 -3.296 -8.823 1.00 0.00 C ATOM 546 C SER A 35 -34.580 -3.207 -7.896 1.00 0.00 C ATOM 547 O SER A 35 -34.115 -4.202 -7.374 1.00 0.00 O ATOM 548 CB SER A 35 -36.876 -2.309 -8.388 1.00 0.00 C ATOM 549 OG SER A 35 -37.340 -2.662 -7.091 1.00 0.00 O ATOM 0 H SER A 35 -37.088 -4.741 -7.939 1.00 0.00 H new ATOM 0 HA SER A 35 -35.440 -3.090 -9.833 1.00 0.00 H new ATOM 0 HB2 SER A 35 -36.477 -1.295 -8.380 1.00 0.00 H new ATOM 0 HB3 SER A 35 -37.703 -2.321 -9.098 1.00 0.00 H new ATOM 0 HG SER A 35 -38.033 -2.029 -6.808 1.00 0.00 H new ATOM 555 N VAL A 36 -34.067 -2.020 -7.690 1.00 0.00 N ATOM 556 CA VAL A 36 -32.881 -1.857 -6.795 1.00 0.00 C ATOM 557 C VAL A 36 -32.681 -0.373 -6.449 1.00 0.00 C ATOM 558 O VAL A 36 -32.203 0.408 -7.251 1.00 0.00 O ATOM 559 CB VAL A 36 -31.703 -2.424 -7.601 1.00 0.00 C ATOM 560 CG1 VAL A 36 -31.512 -1.633 -8.896 1.00 0.00 C ATOM 561 CG2 VAL A 36 -30.426 -2.347 -6.768 1.00 0.00 C ATOM 0 H VAL A 36 -34.419 -1.156 -8.103 1.00 0.00 H new ATOM 0 HA VAL A 36 -32.991 -2.374 -5.842 1.00 0.00 H new ATOM 0 HB VAL A 36 -31.919 -3.463 -7.849 1.00 0.00 H new ATOM 0 HG11 VAL A 36 -30.673 -2.048 -9.455 1.00 0.00 H new ATOM 0 HG12 VAL A 36 -32.418 -1.698 -9.499 1.00 0.00 H new ATOM 0 HG13 VAL A 36 -31.309 -0.589 -8.658 1.00 0.00 H new ATOM 0 HG21 VAL A 36 -29.592 -2.750 -7.343 1.00 0.00 H new ATOM 0 HG22 VAL A 36 -30.221 -1.308 -6.511 1.00 0.00 H new ATOM 0 HG23 VAL A 36 -30.552 -2.928 -5.855 1.00 0.00 H new ATOM 571 N ASN A 37 -33.059 0.021 -5.256 1.00 0.00 N ATOM 572 CA ASN A 37 -32.909 1.453 -4.846 1.00 0.00 C ATOM 573 C ASN A 37 -31.746 1.612 -3.859 1.00 0.00 C ATOM 574 O ASN A 37 -31.894 2.194 -2.805 1.00 0.00 O ATOM 575 CB ASN A 37 -34.239 1.827 -4.182 1.00 0.00 C ATOM 576 CG ASN A 37 -34.507 0.908 -2.985 1.00 0.00 C ATOM 577 OD1 ASN A 37 -33.945 1.092 -1.924 1.00 0.00 O ATOM 578 ND2 ASN A 37 -35.350 -0.081 -3.113 1.00 0.00 N ATOM 0 H ASN A 37 -33.466 -0.589 -4.547 1.00 0.00 H new ATOM 0 HA ASN A 37 -32.687 2.098 -5.696 1.00 0.00 H new ATOM 0 HB2 ASN A 37 -34.211 2.866 -3.854 1.00 0.00 H new ATOM 0 HB3 ASN A 37 -35.051 1.743 -4.904 1.00 0.00 H new ATOM 0 HD21 ASN A 37 -35.536 -0.698 -2.322 1.00 0.00 H new ATOM 0 HD22 ASN A 37 -35.822 -0.236 -4.004 1.00 0.00 H new ATOM 585 N PHE A 38 -30.591 1.100 -4.211 1.00 0.00 N ATOM 586 CA PHE A 38 -29.374 1.195 -3.329 1.00 0.00 C ATOM 587 C PHE A 38 -29.565 0.406 -2.032 1.00 0.00 C ATOM 588 O PHE A 38 -28.840 -0.518 -1.776 1.00 0.00 O ATOM 589 CB PHE A 38 -29.133 2.680 -3.011 1.00 0.00 C ATOM 590 CG PHE A 38 -29.149 3.495 -4.285 1.00 0.00 C ATOM 591 CD1 PHE A 38 -28.115 3.347 -5.217 1.00 0.00 C ATOM 592 CD2 PHE A 38 -30.193 4.393 -4.534 1.00 0.00 C ATOM 593 CE1 PHE A 38 -28.124 4.096 -6.398 1.00 0.00 C ATOM 594 CE2 PHE A 38 -30.203 5.143 -5.716 1.00 0.00 C ATOM 595 CZ PHE A 38 -29.168 4.994 -6.648 1.00 0.00 C ATOM 0 H PHE A 38 -30.433 0.609 -5.091 1.00 0.00 H new ATOM 0 HA PHE A 38 -28.516 0.767 -3.847 1.00 0.00 H new ATOM 0 HB2 PHE A 38 -29.902 3.043 -2.329 1.00 0.00 H new ATOM 0 HB3 PHE A 38 -28.175 2.801 -2.505 1.00 0.00 H new ATOM 0 HD1 PHE A 38 -27.310 2.654 -5.024 1.00 0.00 H new ATOM 0 HD2 PHE A 38 -30.990 4.507 -3.815 1.00 0.00 H new ATOM 0 HE1 PHE A 38 -27.326 3.982 -7.117 1.00 0.00 H new ATOM 0 HE2 PHE A 38 -31.008 5.836 -5.909 1.00 0.00 H new ATOM 0 HZ PHE A 38 -29.176 5.572 -7.560 1.00 0.00 H new ATOM 605 N ALA A 39 -30.513 0.769 -1.206 1.00 0.00 N ATOM 606 CA ALA A 39 -30.707 0.027 0.083 1.00 0.00 C ATOM 607 C ALA A 39 -31.063 -1.434 -0.174 1.00 0.00 C ATOM 608 O ALA A 39 -30.499 -2.326 0.433 1.00 0.00 O ATOM 609 CB ALA A 39 -31.845 0.748 0.806 1.00 0.00 C ATOM 0 H ALA A 39 -31.159 1.542 -1.364 1.00 0.00 H new ATOM 0 HA ALA A 39 -29.795 0.018 0.680 1.00 0.00 H new ATOM 0 HB1 ALA A 39 -32.040 0.256 1.759 1.00 0.00 H new ATOM 0 HB2 ALA A 39 -31.563 1.786 0.984 1.00 0.00 H new ATOM 0 HB3 ALA A 39 -32.744 0.717 0.191 1.00 0.00 H new ATOM 615 N GLU A 40 -31.975 -1.693 -1.073 1.00 0.00 N ATOM 616 CA GLU A 40 -32.342 -3.113 -1.371 1.00 0.00 C ATOM 617 C GLU A 40 -31.106 -3.884 -1.862 1.00 0.00 C ATOM 618 O GLU A 40 -31.081 -5.101 -1.850 1.00 0.00 O ATOM 619 CB GLU A 40 -33.400 -3.035 -2.474 1.00 0.00 C ATOM 620 CG GLU A 40 -34.328 -4.248 -2.378 1.00 0.00 C ATOM 621 CD GLU A 40 -35.563 -4.016 -3.250 1.00 0.00 C ATOM 622 OE1 GLU A 40 -36.328 -3.120 -2.933 1.00 0.00 O ATOM 623 OE2 GLU A 40 -35.725 -4.740 -4.219 1.00 0.00 O ATOM 0 H GLU A 40 -32.480 -0.990 -1.612 1.00 0.00 H new ATOM 0 HA GLU A 40 -32.717 -3.635 -0.490 1.00 0.00 H new ATOM 0 HB2 GLU A 40 -33.976 -2.115 -2.376 1.00 0.00 H new ATOM 0 HB3 GLU A 40 -32.920 -3.008 -3.452 1.00 0.00 H new ATOM 0 HG2 GLU A 40 -33.804 -5.147 -2.703 1.00 0.00 H new ATOM 0 HG3 GLU A 40 -34.626 -4.410 -1.342 1.00 0.00 H new ATOM 630 N PHE A 41 -30.084 -3.181 -2.297 1.00 0.00 N ATOM 631 CA PHE A 41 -28.854 -3.859 -2.793 1.00 0.00 C ATOM 632 C PHE A 41 -27.708 -3.706 -1.789 1.00 0.00 C ATOM 633 O PHE A 41 -27.014 -4.650 -1.465 1.00 0.00 O ATOM 634 CB PHE A 41 -28.540 -3.130 -4.099 1.00 0.00 C ATOM 635 CG PHE A 41 -27.833 -4.051 -5.065 1.00 0.00 C ATOM 636 CD1 PHE A 41 -28.352 -5.323 -5.340 1.00 0.00 C ATOM 637 CD2 PHE A 41 -26.660 -3.623 -5.695 1.00 0.00 C ATOM 638 CE1 PHE A 41 -27.694 -6.166 -6.244 1.00 0.00 C ATOM 639 CE2 PHE A 41 -26.005 -4.463 -6.600 1.00 0.00 C ATOM 640 CZ PHE A 41 -26.520 -5.735 -6.873 1.00 0.00 C ATOM 0 H PHE A 41 -30.055 -2.162 -2.327 1.00 0.00 H new ATOM 0 HA PHE A 41 -28.987 -4.932 -2.932 1.00 0.00 H new ATOM 0 HB2 PHE A 41 -29.463 -2.763 -4.548 1.00 0.00 H new ATOM 0 HB3 PHE A 41 -27.916 -2.260 -3.895 1.00 0.00 H new ATOM 0 HD1 PHE A 41 -29.259 -5.653 -4.855 1.00 0.00 H new ATOM 0 HD2 PHE A 41 -26.260 -2.643 -5.482 1.00 0.00 H new ATOM 0 HE1 PHE A 41 -28.092 -7.148 -6.456 1.00 0.00 H new ATOM 0 HE2 PHE A 41 -25.101 -4.130 -7.089 1.00 0.00 H new ATOM 0 HZ PHE A 41 -26.011 -6.385 -7.570 1.00 0.00 H new ATOM 650 N SER A 42 -27.518 -2.516 -1.296 1.00 0.00 N ATOM 651 CA SER A 42 -26.433 -2.246 -0.303 1.00 0.00 C ATOM 652 C SER A 42 -26.567 -3.184 0.903 1.00 0.00 C ATOM 653 O SER A 42 -25.602 -3.482 1.580 1.00 0.00 O ATOM 654 CB SER A 42 -26.651 -0.788 0.113 1.00 0.00 C ATOM 655 OG SER A 42 -27.738 -0.713 1.025 1.00 0.00 O ATOM 0 H SER A 42 -28.078 -1.700 -1.542 1.00 0.00 H new ATOM 0 HA SER A 42 -25.437 -2.412 -0.714 1.00 0.00 H new ATOM 0 HB2 SER A 42 -25.747 -0.391 0.575 1.00 0.00 H new ATOM 0 HB3 SER A 42 -26.856 -0.175 -0.765 1.00 0.00 H new ATOM 0 HG SER A 42 -27.797 0.195 1.390 1.00 0.00 H new ATOM 661 N LYS A 43 -27.760 -3.657 1.164 1.00 0.00 N ATOM 662 CA LYS A 43 -27.974 -4.583 2.313 1.00 0.00 C ATOM 663 C LYS A 43 -27.636 -6.018 1.898 1.00 0.00 C ATOM 664 O LYS A 43 -27.242 -6.832 2.711 1.00 0.00 O ATOM 665 CB LYS A 43 -29.464 -4.458 2.647 1.00 0.00 C ATOM 666 CG LYS A 43 -29.644 -3.565 3.877 1.00 0.00 C ATOM 667 CD LYS A 43 -30.925 -3.961 4.613 1.00 0.00 C ATOM 668 CE LYS A 43 -30.647 -5.174 5.505 1.00 0.00 C ATOM 669 NZ LYS A 43 -31.988 -5.618 5.978 1.00 0.00 N ATOM 0 H LYS A 43 -28.599 -3.439 0.626 1.00 0.00 H new ATOM 0 HA LYS A 43 -27.343 -4.340 3.168 1.00 0.00 H new ATOM 0 HB2 LYS A 43 -30.003 -4.037 1.798 1.00 0.00 H new ATOM 0 HB3 LYS A 43 -29.888 -5.444 2.836 1.00 0.00 H new ATOM 0 HG2 LYS A 43 -28.785 -3.665 4.541 1.00 0.00 H new ATOM 0 HG3 LYS A 43 -29.694 -2.519 3.576 1.00 0.00 H new ATOM 0 HD2 LYS A 43 -31.283 -3.127 5.216 1.00 0.00 H new ATOM 0 HD3 LYS A 43 -31.711 -4.196 3.896 1.00 0.00 H new ATOM 0 HE2 LYS A 43 -30.142 -5.965 4.950 1.00 0.00 H new ATOM 0 HE3 LYS A 43 -30.001 -4.909 6.342 1.00 0.00 H new ATOM 0 HZ1 LYS A 43 -31.881 -6.447 6.596 1.00 0.00 H new ATOM 0 HZ2 LYS A 43 -32.442 -4.847 6.508 1.00 0.00 H new ATOM 0 HZ3 LYS A 43 -32.579 -5.870 5.160 1.00 0.00 H new ATOM 683 N LYS A 44 -27.790 -6.330 0.634 1.00 0.00 N ATOM 684 CA LYS A 44 -27.482 -7.711 0.153 1.00 0.00 C ATOM 685 C LYS A 44 -26.030 -7.798 -0.326 1.00 0.00 C ATOM 686 O LYS A 44 -25.322 -8.734 -0.005 1.00 0.00 O ATOM 687 CB LYS A 44 -28.443 -7.948 -1.010 1.00 0.00 C ATOM 688 CG LYS A 44 -28.560 -9.450 -1.269 1.00 0.00 C ATOM 689 CD LYS A 44 -29.416 -10.094 -0.178 1.00 0.00 C ATOM 690 CE LYS A 44 -30.880 -10.112 -0.621 1.00 0.00 C ATOM 691 NZ LYS A 44 -30.983 -11.262 -1.563 1.00 0.00 N ATOM 0 H LYS A 44 -28.117 -5.685 -0.086 1.00 0.00 H new ATOM 0 HA LYS A 44 -27.600 -8.456 0.940 1.00 0.00 H new ATOM 0 HB2 LYS A 44 -29.423 -7.530 -0.779 1.00 0.00 H new ATOM 0 HB3 LYS A 44 -28.082 -7.440 -1.904 1.00 0.00 H new ATOM 0 HG2 LYS A 44 -29.007 -9.627 -2.247 1.00 0.00 H new ATOM 0 HG3 LYS A 44 -27.570 -9.905 -1.284 1.00 0.00 H new ATOM 0 HD2 LYS A 44 -29.072 -11.110 0.017 1.00 0.00 H new ATOM 0 HD3 LYS A 44 -29.314 -9.538 0.754 1.00 0.00 H new ATOM 0 HE2 LYS A 44 -31.549 -10.238 0.231 1.00 0.00 H new ATOM 0 HE3 LYS A 44 -31.157 -9.177 -1.108 1.00 0.00 H new ATOM 0 HZ1 LYS A 44 -31.421 -10.945 -2.451 1.00 0.00 H new ATOM 0 HZ2 LYS A 44 -30.033 -11.636 -1.760 1.00 0.00 H new ATOM 0 HZ3 LYS A 44 -31.567 -12.009 -1.136 1.00 0.00 H new ATOM 705 N CYS A 45 -25.586 -6.831 -1.090 1.00 0.00 N ATOM 706 CA CYS A 45 -24.175 -6.858 -1.592 1.00 0.00 C ATOM 707 C CYS A 45 -23.191 -6.871 -0.415 1.00 0.00 C ATOM 708 O CYS A 45 -22.081 -7.352 -0.532 1.00 0.00 O ATOM 709 CB CYS A 45 -24.012 -5.582 -2.423 1.00 0.00 C ATOM 710 SG CYS A 45 -24.661 -5.866 -4.088 1.00 0.00 S ATOM 0 H CYS A 45 -26.137 -6.026 -1.388 1.00 0.00 H new ATOM 0 HA CYS A 45 -23.970 -7.750 -2.184 1.00 0.00 H new ATOM 0 HB2 CYS A 45 -24.542 -4.756 -1.950 1.00 0.00 H new ATOM 0 HB3 CYS A 45 -22.961 -5.299 -2.473 1.00 0.00 H new ATOM 0 HG CYS A 45 -25.266 -4.794 -4.507 1.00 0.00 H new ATOM 716 N SER A 46 -23.598 -6.355 0.720 1.00 0.00 N ATOM 717 CA SER A 46 -22.694 -6.347 1.911 1.00 0.00 C ATOM 718 C SER A 46 -22.503 -7.776 2.424 1.00 0.00 C ATOM 719 O SER A 46 -21.427 -8.155 2.847 1.00 0.00 O ATOM 720 CB SER A 46 -23.407 -5.491 2.958 1.00 0.00 C ATOM 721 OG SER A 46 -24.673 -6.067 3.253 1.00 0.00 O ATOM 0 H SER A 46 -24.517 -5.939 0.872 1.00 0.00 H new ATOM 0 HA SER A 46 -21.706 -5.951 1.677 1.00 0.00 H new ATOM 0 HB2 SER A 46 -22.804 -5.427 3.864 1.00 0.00 H new ATOM 0 HB3 SER A 46 -23.535 -4.474 2.587 1.00 0.00 H new ATOM 0 HG SER A 46 -25.132 -5.521 3.925 1.00 0.00 H new ATOM 727 N GLU A 47 -23.543 -8.571 2.381 1.00 0.00 N ATOM 728 CA GLU A 47 -23.430 -9.983 2.856 1.00 0.00 C ATOM 729 C GLU A 47 -22.458 -10.753 1.958 1.00 0.00 C ATOM 730 O GLU A 47 -21.637 -11.517 2.429 1.00 0.00 O ATOM 731 CB GLU A 47 -24.842 -10.564 2.743 1.00 0.00 C ATOM 732 CG GLU A 47 -25.639 -10.212 4.000 1.00 0.00 C ATOM 733 CD GLU A 47 -25.244 -11.155 5.137 1.00 0.00 C ATOM 734 OE1 GLU A 47 -25.703 -12.285 5.130 1.00 0.00 O ATOM 735 OE2 GLU A 47 -24.489 -10.732 5.996 1.00 0.00 O ATOM 0 H GLU A 47 -24.465 -8.303 2.037 1.00 0.00 H new ATOM 0 HA GLU A 47 -23.051 -10.048 3.876 1.00 0.00 H new ATOM 0 HB2 GLU A 47 -25.341 -10.166 1.859 1.00 0.00 H new ATOM 0 HB3 GLU A 47 -24.793 -11.646 2.621 1.00 0.00 H new ATOM 0 HG2 GLU A 47 -25.447 -9.178 4.288 1.00 0.00 H new ATOM 0 HG3 GLU A 47 -26.707 -10.294 3.800 1.00 0.00 H new ATOM 742 N ARG A 48 -22.543 -10.545 0.669 1.00 0.00 N ATOM 743 CA ARG A 48 -21.622 -11.249 -0.273 1.00 0.00 C ATOM 744 C ARG A 48 -20.254 -10.566 -0.266 1.00 0.00 C ATOM 745 O ARG A 48 -19.226 -11.214 -0.309 1.00 0.00 O ATOM 746 CB ARG A 48 -22.280 -11.122 -1.648 1.00 0.00 C ATOM 747 CG ARG A 48 -21.596 -12.073 -2.632 1.00 0.00 C ATOM 748 CD ARG A 48 -22.068 -11.762 -4.054 1.00 0.00 C ATOM 749 NE ARG A 48 -20.989 -12.282 -4.939 1.00 0.00 N ATOM 750 CZ ARG A 48 -21.141 -13.426 -5.548 1.00 0.00 C ATOM 751 NH1 ARG A 48 -21.042 -14.541 -4.876 1.00 0.00 N ATOM 752 NH2 ARG A 48 -21.391 -13.456 -6.829 1.00 0.00 N ATOM 0 H ARG A 48 -23.213 -9.916 0.227 1.00 0.00 H new ATOM 0 HA ARG A 48 -21.464 -12.292 0.002 1.00 0.00 H new ATOM 0 HB2 ARG A 48 -23.342 -11.357 -1.578 1.00 0.00 H new ATOM 0 HB3 ARG A 48 -22.204 -10.095 -2.006 1.00 0.00 H new ATOM 0 HG2 ARG A 48 -20.513 -11.966 -2.565 1.00 0.00 H new ATOM 0 HG3 ARG A 48 -21.830 -13.107 -2.378 1.00 0.00 H new ATOM 0 HD2 ARG A 48 -23.021 -12.245 -4.268 1.00 0.00 H new ATOM 0 HD3 ARG A 48 -22.214 -10.691 -4.196 1.00 0.00 H new ATOM 0 HE ARG A 48 -20.132 -11.744 -5.069 1.00 0.00 H new ATOM 0 HH11 ARG A 48 -20.846 -14.518 -3.875 1.00 0.00 H new ATOM 0 HH12 ARG A 48 -21.161 -15.435 -5.352 1.00 0.00 H new ATOM 0 HH21 ARG A 48 -21.468 -12.585 -7.354 1.00 0.00 H new ATOM 0 HH22 ARG A 48 -21.510 -14.350 -7.305 1.00 0.00 H new ATOM 766 N TRP A 49 -20.238 -9.259 -0.204 1.00 0.00 N ATOM 767 CA TRP A 49 -18.939 -8.516 -0.184 1.00 0.00 C ATOM 768 C TRP A 49 -18.141 -8.907 1.066 1.00 0.00 C ATOM 769 O TRP A 49 -16.981 -9.268 0.986 1.00 0.00 O ATOM 770 CB TRP A 49 -19.334 -7.030 -0.145 1.00 0.00 C ATOM 771 CG TRP A 49 -18.114 -6.170 -0.006 1.00 0.00 C ATOM 772 CD1 TRP A 49 -17.772 -5.489 1.113 1.00 0.00 C ATOM 773 CD2 TRP A 49 -17.076 -5.889 -0.989 1.00 0.00 C ATOM 774 NE1 TRP A 49 -16.591 -4.810 0.879 1.00 0.00 N ATOM 775 CE2 TRP A 49 -16.122 -5.024 -0.402 1.00 0.00 C ATOM 776 CE3 TRP A 49 -16.872 -6.296 -2.320 1.00 0.00 C ATOM 777 CZ2 TRP A 49 -15.007 -4.578 -1.109 1.00 0.00 C ATOM 778 CZ3 TRP A 49 -15.748 -5.849 -3.035 1.00 0.00 C ATOM 779 CH2 TRP A 49 -14.818 -4.992 -2.430 1.00 0.00 C ATOM 0 H TRP A 49 -21.071 -8.671 -0.166 1.00 0.00 H new ATOM 0 HA TRP A 49 -18.310 -8.740 -1.045 1.00 0.00 H new ATOM 0 HB2 TRP A 49 -19.872 -6.766 -1.056 1.00 0.00 H new ATOM 0 HB3 TRP A 49 -20.012 -6.849 0.689 1.00 0.00 H new ATOM 0 HD1 TRP A 49 -18.331 -5.478 2.037 1.00 0.00 H new ATOM 0 HE1 TRP A 49 -16.123 -4.222 1.569 1.00 0.00 H new ATOM 0 HE3 TRP A 49 -17.583 -6.956 -2.795 1.00 0.00 H new ATOM 0 HZ2 TRP A 49 -14.294 -3.917 -0.639 1.00 0.00 H new ATOM 0 HZ3 TRP A 49 -15.600 -6.167 -4.056 1.00 0.00 H new ATOM 0 HH2 TRP A 49 -13.956 -4.652 -2.985 1.00 0.00 H new ATOM 790 N LYS A 50 -18.758 -8.834 2.217 1.00 0.00 N ATOM 791 CA LYS A 50 -18.045 -9.197 3.481 1.00 0.00 C ATOM 792 C LYS A 50 -17.615 -10.669 3.449 1.00 0.00 C ATOM 793 O LYS A 50 -16.667 -11.058 4.103 1.00 0.00 O ATOM 794 CB LYS A 50 -19.062 -8.955 4.597 1.00 0.00 C ATOM 795 CG LYS A 50 -19.083 -7.466 4.951 1.00 0.00 C ATOM 796 CD LYS A 50 -19.788 -7.268 6.294 1.00 0.00 C ATOM 797 CE LYS A 50 -18.868 -7.725 7.427 1.00 0.00 C ATOM 798 NZ LYS A 50 -19.782 -8.256 8.475 1.00 0.00 N ATOM 0 H LYS A 50 -19.727 -8.538 2.338 1.00 0.00 H new ATOM 0 HA LYS A 50 -17.138 -8.609 3.624 1.00 0.00 H new ATOM 0 HB2 LYS A 50 -20.053 -9.278 4.278 1.00 0.00 H new ATOM 0 HB3 LYS A 50 -18.802 -9.545 5.476 1.00 0.00 H new ATOM 0 HG2 LYS A 50 -18.065 -7.080 5.003 1.00 0.00 H new ATOM 0 HG3 LYS A 50 -19.598 -6.904 4.172 1.00 0.00 H new ATOM 0 HD2 LYS A 50 -20.052 -6.219 6.427 1.00 0.00 H new ATOM 0 HD3 LYS A 50 -20.718 -7.836 6.315 1.00 0.00 H new ATOM 0 HE2 LYS A 50 -18.172 -8.491 7.085 1.00 0.00 H new ATOM 0 HE3 LYS A 50 -18.270 -6.897 7.808 1.00 0.00 H new ATOM 0 HZ1 LYS A 50 -19.223 -8.589 9.286 1.00 0.00 H new ATOM 0 HZ2 LYS A 50 -20.428 -7.503 8.786 1.00 0.00 H new ATOM 0 HZ3 LYS A 50 -20.334 -9.047 8.086 1.00 0.00 H new ATOM 812 N THR A 51 -18.303 -11.485 2.690 1.00 0.00 N ATOM 813 CA THR A 51 -17.938 -12.932 2.610 1.00 0.00 C ATOM 814 C THR A 51 -17.077 -13.215 1.368 1.00 0.00 C ATOM 815 O THR A 51 -16.497 -14.277 1.244 1.00 0.00 O ATOM 816 CB THR A 51 -19.273 -13.671 2.513 1.00 0.00 C ATOM 817 OG1 THR A 51 -20.028 -13.138 1.434 1.00 0.00 O ATOM 818 CG2 THR A 51 -20.051 -13.498 3.819 1.00 0.00 C ATOM 0 H THR A 51 -19.104 -11.210 2.121 1.00 0.00 H new ATOM 0 HA THR A 51 -17.351 -13.249 3.472 1.00 0.00 H new ATOM 0 HB THR A 51 -19.091 -14.732 2.341 1.00 0.00 H new ATOM 0 HG1 THR A 51 -20.925 -12.901 1.748 1.00 0.00 H new ATOM 0 HG21 THR A 51 -21.002 -14.025 3.748 1.00 0.00 H new ATOM 0 HG22 THR A 51 -19.470 -13.907 4.646 1.00 0.00 H new ATOM 0 HG23 THR A 51 -20.236 -12.438 3.995 1.00 0.00 H new ATOM 826 N MET A 52 -16.991 -12.280 0.448 1.00 0.00 N ATOM 827 CA MET A 52 -16.168 -12.504 -0.785 1.00 0.00 C ATOM 828 C MET A 52 -14.720 -12.838 -0.412 1.00 0.00 C ATOM 829 O MET A 52 -14.326 -12.734 0.734 1.00 0.00 O ATOM 830 CB MET A 52 -16.228 -11.183 -1.557 1.00 0.00 C ATOM 831 CG MET A 52 -17.424 -11.200 -2.514 1.00 0.00 C ATOM 832 SD MET A 52 -16.878 -11.685 -4.172 1.00 0.00 S ATOM 833 CE MET A 52 -16.530 -10.021 -4.792 1.00 0.00 C ATOM 0 H MET A 52 -17.455 -11.373 0.498 1.00 0.00 H new ATOM 0 HA MET A 52 -16.544 -13.339 -1.376 1.00 0.00 H new ATOM 0 HB2 MET A 52 -16.317 -10.348 -0.862 1.00 0.00 H new ATOM 0 HB3 MET A 52 -15.304 -11.035 -2.116 1.00 0.00 H new ATOM 0 HG2 MET A 52 -18.181 -11.896 -2.152 1.00 0.00 H new ATOM 0 HG3 MET A 52 -17.888 -10.214 -2.548 1.00 0.00 H new ATOM 0 HE1 MET A 52 -16.660 -10.001 -5.874 1.00 0.00 H new ATOM 0 HE2 MET A 52 -17.216 -9.310 -4.331 1.00 0.00 H new ATOM 0 HE3 MET A 52 -15.504 -9.748 -4.545 1.00 0.00 H new ATOM 843 N SER A 53 -13.929 -13.238 -1.375 1.00 0.00 N ATOM 844 CA SER A 53 -12.505 -13.583 -1.088 1.00 0.00 C ATOM 845 C SER A 53 -11.582 -12.449 -1.544 1.00 0.00 C ATOM 846 O SER A 53 -11.986 -11.565 -2.275 1.00 0.00 O ATOM 847 CB SER A 53 -12.235 -14.851 -1.896 1.00 0.00 C ATOM 848 OG SER A 53 -13.080 -15.894 -1.428 1.00 0.00 O ATOM 0 H SER A 53 -14.210 -13.341 -2.350 1.00 0.00 H new ATOM 0 HA SER A 53 -12.323 -13.731 -0.024 1.00 0.00 H new ATOM 0 HB2 SER A 53 -12.417 -14.667 -2.955 1.00 0.00 H new ATOM 0 HB3 SER A 53 -11.189 -15.143 -1.798 1.00 0.00 H new ATOM 0 HG SER A 53 -12.911 -16.709 -1.945 1.00 0.00 H new ATOM 854 N ALA A 54 -10.346 -12.474 -1.114 1.00 0.00 N ATOM 855 CA ALA A 54 -9.385 -11.400 -1.517 1.00 0.00 C ATOM 856 C ALA A 54 -9.124 -11.442 -3.029 1.00 0.00 C ATOM 857 O ALA A 54 -8.654 -10.480 -3.606 1.00 0.00 O ATOM 858 CB ALA A 54 -8.097 -11.704 -0.746 1.00 0.00 C ATOM 0 H ALA A 54 -9.960 -13.192 -0.501 1.00 0.00 H new ATOM 0 HA ALA A 54 -9.773 -10.406 -1.293 1.00 0.00 H new ATOM 0 HB1 ALA A 54 -7.342 -10.957 -0.990 1.00 0.00 H new ATOM 0 HB2 ALA A 54 -8.299 -11.679 0.325 1.00 0.00 H new ATOM 0 HB3 ALA A 54 -7.732 -12.693 -1.023 1.00 0.00 H new ATOM 864 N LYS A 55 -9.423 -12.546 -3.674 1.00 0.00 N ATOM 865 CA LYS A 55 -9.190 -12.641 -5.149 1.00 0.00 C ATOM 866 C LYS A 55 -10.231 -11.808 -5.899 1.00 0.00 C ATOM 867 O LYS A 55 -9.971 -11.292 -6.969 1.00 0.00 O ATOM 868 CB LYS A 55 -9.346 -14.125 -5.486 1.00 0.00 C ATOM 869 CG LYS A 55 -8.079 -14.878 -5.077 1.00 0.00 C ATOM 870 CD LYS A 55 -8.401 -16.363 -4.905 1.00 0.00 C ATOM 871 CE LYS A 55 -8.593 -17.008 -6.280 1.00 0.00 C ATOM 872 NZ LYS A 55 -7.217 -17.345 -6.742 1.00 0.00 N ATOM 0 H LYS A 55 -9.817 -13.382 -3.243 1.00 0.00 H new ATOM 0 HA LYS A 55 -8.209 -12.262 -5.437 1.00 0.00 H new ATOM 0 HB2 LYS A 55 -10.211 -14.538 -4.966 1.00 0.00 H new ATOM 0 HB3 LYS A 55 -9.527 -14.249 -6.554 1.00 0.00 H new ATOM 0 HG2 LYS A 55 -7.306 -14.748 -5.834 1.00 0.00 H new ATOM 0 HG3 LYS A 55 -7.685 -14.470 -4.146 1.00 0.00 H new ATOM 0 HD2 LYS A 55 -7.594 -16.861 -4.368 1.00 0.00 H new ATOM 0 HD3 LYS A 55 -9.304 -16.483 -4.306 1.00 0.00 H new ATOM 0 HE2 LYS A 55 -9.217 -17.899 -6.214 1.00 0.00 H new ATOM 0 HE3 LYS A 55 -9.085 -16.324 -6.972 1.00 0.00 H new ATOM 0 HZ1 LYS A 55 -7.161 -17.236 -7.775 1.00 0.00 H new ATOM 0 HZ2 LYS A 55 -6.533 -16.706 -6.289 1.00 0.00 H new ATOM 0 HZ3 LYS A 55 -6.996 -18.328 -6.485 1.00 0.00 H new ATOM 886 N GLU A 56 -11.406 -11.675 -5.340 1.00 0.00 N ATOM 887 CA GLU A 56 -12.475 -10.878 -6.008 1.00 0.00 C ATOM 888 C GLU A 56 -12.540 -9.474 -5.403 1.00 0.00 C ATOM 889 O GLU A 56 -12.767 -8.500 -6.094 1.00 0.00 O ATOM 890 CB GLU A 56 -13.767 -11.644 -5.729 1.00 0.00 C ATOM 891 CG GLU A 56 -13.768 -12.947 -6.529 1.00 0.00 C ATOM 892 CD GLU A 56 -15.206 -13.440 -6.702 1.00 0.00 C ATOM 893 OE1 GLU A 56 -15.741 -13.993 -5.755 1.00 0.00 O ATOM 894 OE2 GLU A 56 -15.748 -13.256 -7.780 1.00 0.00 O ATOM 0 H GLU A 56 -11.671 -12.087 -4.445 1.00 0.00 H new ATOM 0 HA GLU A 56 -12.297 -10.755 -7.076 1.00 0.00 H new ATOM 0 HB2 GLU A 56 -13.853 -11.858 -4.664 1.00 0.00 H new ATOM 0 HB3 GLU A 56 -14.629 -11.036 -6.002 1.00 0.00 H new ATOM 0 HG2 GLU A 56 -13.307 -12.788 -7.504 1.00 0.00 H new ATOM 0 HG3 GLU A 56 -13.173 -13.702 -6.015 1.00 0.00 H new ATOM 901 N LYS A 57 -12.337 -9.369 -4.114 1.00 0.00 N ATOM 902 CA LYS A 57 -12.380 -8.031 -3.448 1.00 0.00 C ATOM 903 C LYS A 57 -11.148 -7.201 -3.832 1.00 0.00 C ATOM 904 O LYS A 57 -11.159 -5.988 -3.739 1.00 0.00 O ATOM 905 CB LYS A 57 -12.378 -8.329 -1.948 1.00 0.00 C ATOM 906 CG LYS A 57 -13.819 -8.403 -1.439 1.00 0.00 C ATOM 907 CD LYS A 57 -13.837 -8.195 0.077 1.00 0.00 C ATOM 908 CE LYS A 57 -13.456 -9.502 0.776 1.00 0.00 C ATOM 909 NZ LYS A 57 -13.358 -9.149 2.220 1.00 0.00 N ATOM 0 H LYS A 57 -12.143 -10.154 -3.492 1.00 0.00 H new ATOM 0 HA LYS A 57 -13.255 -7.454 -3.748 1.00 0.00 H new ATOM 0 HB2 LYS A 57 -11.864 -9.271 -1.754 1.00 0.00 H new ATOM 0 HB3 LYS A 57 -11.832 -7.552 -1.413 1.00 0.00 H new ATOM 0 HG2 LYS A 57 -14.428 -7.643 -1.928 1.00 0.00 H new ATOM 0 HG3 LYS A 57 -14.255 -9.370 -1.689 1.00 0.00 H new ATOM 0 HD2 LYS A 57 -13.139 -7.405 0.355 1.00 0.00 H new ATOM 0 HD3 LYS A 57 -14.827 -7.873 0.399 1.00 0.00 H new ATOM 0 HE2 LYS A 57 -14.207 -10.274 0.608 1.00 0.00 H new ATOM 0 HE3 LYS A 57 -12.510 -9.891 0.399 1.00 0.00 H new ATOM 0 HZ1 LYS A 57 -13.100 -9.995 2.767 1.00 0.00 H new ATOM 0 HZ2 LYS A 57 -12.631 -8.417 2.350 1.00 0.00 H new ATOM 0 HZ3 LYS A 57 -14.275 -8.788 2.552 1.00 0.00 H new ATOM 923 N SER A 58 -10.087 -7.845 -4.258 1.00 0.00 N ATOM 924 CA SER A 58 -8.853 -7.092 -4.643 1.00 0.00 C ATOM 925 C SER A 58 -9.090 -6.304 -5.935 1.00 0.00 C ATOM 926 O SER A 58 -8.493 -5.267 -6.156 1.00 0.00 O ATOM 927 CB SER A 58 -7.780 -8.160 -4.859 1.00 0.00 C ATOM 928 OG SER A 58 -8.297 -9.180 -5.702 1.00 0.00 O ATOM 0 H SER A 58 -10.023 -8.858 -4.355 1.00 0.00 H new ATOM 0 HA SER A 58 -8.561 -6.371 -3.880 1.00 0.00 H new ATOM 0 HB2 SER A 58 -6.893 -7.715 -5.309 1.00 0.00 H new ATOM 0 HB3 SER A 58 -7.474 -8.583 -3.902 1.00 0.00 H new ATOM 0 HG SER A 58 -8.318 -10.029 -5.213 1.00 0.00 H new ATOM 934 N LYS A 59 -9.956 -6.791 -6.787 1.00 0.00 N ATOM 935 CA LYS A 59 -10.235 -6.073 -8.072 1.00 0.00 C ATOM 936 C LYS A 59 -10.918 -4.732 -7.792 1.00 0.00 C ATOM 937 O LYS A 59 -10.783 -3.789 -8.547 1.00 0.00 O ATOM 938 CB LYS A 59 -11.169 -6.996 -8.856 1.00 0.00 C ATOM 939 CG LYS A 59 -11.370 -6.438 -10.267 1.00 0.00 C ATOM 940 CD LYS A 59 -12.382 -7.305 -11.020 1.00 0.00 C ATOM 941 CE LYS A 59 -12.339 -6.960 -12.510 1.00 0.00 C ATOM 942 NZ LYS A 59 -13.036 -5.648 -12.621 1.00 0.00 N ATOM 0 H LYS A 59 -10.483 -7.654 -6.650 1.00 0.00 H new ATOM 0 HA LYS A 59 -9.322 -5.856 -8.626 1.00 0.00 H new ATOM 0 HB2 LYS A 59 -10.747 -8.000 -8.907 1.00 0.00 H new ATOM 0 HB3 LYS A 59 -12.129 -7.079 -8.346 1.00 0.00 H new ATOM 0 HG2 LYS A 59 -11.725 -5.409 -10.215 1.00 0.00 H new ATOM 0 HG3 LYS A 59 -10.420 -6.422 -10.802 1.00 0.00 H new ATOM 0 HD2 LYS A 59 -12.153 -8.361 -10.873 1.00 0.00 H new ATOM 0 HD3 LYS A 59 -13.384 -7.138 -10.626 1.00 0.00 H new ATOM 0 HE2 LYS A 59 -11.312 -6.894 -12.870 1.00 0.00 H new ATOM 0 HE3 LYS A 59 -12.838 -7.724 -13.107 1.00 0.00 H new ATOM 0 HZ1 LYS A 59 -13.871 -5.749 -13.232 1.00 0.00 H new ATOM 0 HZ2 LYS A 59 -13.334 -5.332 -11.676 1.00 0.00 H new ATOM 0 HZ3 LYS A 59 -12.389 -4.945 -13.033 1.00 0.00 H new ATOM 956 N PHE A 60 -11.650 -4.644 -6.711 1.00 0.00 N ATOM 957 CA PHE A 60 -12.348 -3.368 -6.372 1.00 0.00 C ATOM 958 C PHE A 60 -11.485 -2.523 -5.432 1.00 0.00 C ATOM 959 O PHE A 60 -11.567 -1.309 -5.423 1.00 0.00 O ATOM 960 CB PHE A 60 -13.639 -3.796 -5.675 1.00 0.00 C ATOM 961 CG PHE A 60 -14.563 -4.447 -6.678 1.00 0.00 C ATOM 962 CD1 PHE A 60 -15.099 -3.692 -7.727 1.00 0.00 C ATOM 963 CD2 PHE A 60 -14.882 -5.804 -6.556 1.00 0.00 C ATOM 964 CE1 PHE A 60 -15.955 -4.295 -8.657 1.00 0.00 C ATOM 965 CE2 PHE A 60 -15.738 -6.407 -7.485 1.00 0.00 C ATOM 966 CZ PHE A 60 -16.275 -5.654 -8.535 1.00 0.00 C ATOM 0 H PHE A 60 -11.795 -5.404 -6.046 1.00 0.00 H new ATOM 0 HA PHE A 60 -12.543 -2.759 -7.254 1.00 0.00 H new ATOM 0 HB2 PHE A 60 -13.415 -4.492 -4.867 1.00 0.00 H new ATOM 0 HB3 PHE A 60 -14.126 -2.931 -5.225 1.00 0.00 H new ATOM 0 HD1 PHE A 60 -14.853 -2.645 -7.819 1.00 0.00 H new ATOM 0 HD2 PHE A 60 -14.468 -6.386 -5.746 1.00 0.00 H new ATOM 0 HE1 PHE A 60 -16.368 -3.713 -9.468 1.00 0.00 H new ATOM 0 HE2 PHE A 60 -15.984 -7.454 -7.391 1.00 0.00 H new ATOM 0 HZ PHE A 60 -16.936 -6.120 -9.251 1.00 0.00 H new ATOM 976 N GLU A 61 -10.659 -3.159 -4.639 1.00 0.00 N ATOM 977 CA GLU A 61 -9.785 -2.398 -3.693 1.00 0.00 C ATOM 978 C GLU A 61 -8.679 -1.669 -4.460 1.00 0.00 C ATOM 979 O GLU A 61 -8.189 -0.642 -4.030 1.00 0.00 O ATOM 980 CB GLU A 61 -9.183 -3.455 -2.763 1.00 0.00 C ATOM 981 CG GLU A 61 -10.226 -3.878 -1.726 1.00 0.00 C ATOM 982 CD GLU A 61 -9.678 -5.041 -0.896 1.00 0.00 C ATOM 983 OE1 GLU A 61 -8.850 -4.790 -0.037 1.00 0.00 O ATOM 984 OE2 GLU A 61 -10.097 -6.161 -1.134 1.00 0.00 O ATOM 0 H GLU A 61 -10.552 -4.173 -4.606 1.00 0.00 H new ATOM 0 HA GLU A 61 -10.342 -1.641 -3.142 1.00 0.00 H new ATOM 0 HB2 GLU A 61 -8.858 -4.320 -3.341 1.00 0.00 H new ATOM 0 HB3 GLU A 61 -8.300 -3.055 -2.264 1.00 0.00 H new ATOM 0 HG2 GLU A 61 -10.470 -3.037 -1.077 1.00 0.00 H new ATOM 0 HG3 GLU A 61 -11.149 -4.176 -2.223 1.00 0.00 H new ATOM 991 N ASP A 62 -8.285 -2.194 -5.594 1.00 0.00 N ATOM 992 CA ASP A 62 -7.209 -1.535 -6.397 1.00 0.00 C ATOM 993 C ASP A 62 -7.779 -0.342 -7.171 1.00 0.00 C ATOM 994 O ASP A 62 -7.074 0.603 -7.473 1.00 0.00 O ATOM 995 CB ASP A 62 -6.715 -2.614 -7.363 1.00 0.00 C ATOM 996 CG ASP A 62 -5.361 -2.202 -7.940 1.00 0.00 C ATOM 997 OD1 ASP A 62 -5.353 -1.466 -8.913 1.00 0.00 O ATOM 998 OD2 ASP A 62 -4.353 -2.630 -7.400 1.00 0.00 O ATOM 0 H ASP A 62 -8.662 -3.051 -5.998 1.00 0.00 H new ATOM 0 HA ASP A 62 -6.405 -1.151 -5.770 1.00 0.00 H new ATOM 0 HB2 ASP A 62 -6.626 -3.568 -6.844 1.00 0.00 H new ATOM 0 HB3 ASP A 62 -7.437 -2.755 -8.167 1.00 0.00 H new ATOM 1003 N MET A 63 -9.047 -0.382 -7.494 1.00 0.00 N ATOM 1004 CA MET A 63 -9.668 0.747 -8.250 1.00 0.00 C ATOM 1005 C MET A 63 -10.051 1.882 -7.294 1.00 0.00 C ATOM 1006 O MET A 63 -10.095 3.036 -7.677 1.00 0.00 O ATOM 1007 CB MET A 63 -10.918 0.150 -8.898 1.00 0.00 C ATOM 1008 CG MET A 63 -10.506 -0.769 -10.050 1.00 0.00 C ATOM 1009 SD MET A 63 -11.976 -1.264 -10.983 1.00 0.00 S ATOM 1010 CE MET A 63 -11.208 -2.605 -11.923 1.00 0.00 C ATOM 0 H MET A 63 -9.680 -1.149 -7.266 1.00 0.00 H new ATOM 0 HA MET A 63 -8.987 1.171 -8.988 1.00 0.00 H new ATOM 0 HB2 MET A 63 -11.491 -0.410 -8.159 1.00 0.00 H new ATOM 0 HB3 MET A 63 -11.565 0.946 -9.267 1.00 0.00 H new ATOM 0 HG2 MET A 63 -9.802 -0.255 -10.705 1.00 0.00 H new ATOM 0 HG3 MET A 63 -9.995 -1.650 -9.662 1.00 0.00 H new ATOM 0 HE1 MET A 63 -11.847 -2.871 -12.765 1.00 0.00 H new ATOM 0 HE2 MET A 63 -10.236 -2.279 -12.293 1.00 0.00 H new ATOM 0 HE3 MET A 63 -11.078 -3.474 -11.278 1.00 0.00 H new ATOM 1020 N ALA A 64 -10.328 1.560 -6.056 1.00 0.00 N ATOM 1021 CA ALA A 64 -10.710 2.615 -5.069 1.00 0.00 C ATOM 1022 C ALA A 64 -9.463 3.333 -4.548 1.00 0.00 C ATOM 1023 O ALA A 64 -9.515 4.488 -4.167 1.00 0.00 O ATOM 1024 CB ALA A 64 -11.409 1.865 -3.934 1.00 0.00 C ATOM 0 H ALA A 64 -10.306 0.610 -5.685 1.00 0.00 H new ATOM 0 HA ALA A 64 -11.352 3.377 -5.511 1.00 0.00 H new ATOM 0 HB1 ALA A 64 -11.720 2.574 -3.167 1.00 0.00 H new ATOM 0 HB2 ALA A 64 -12.284 1.346 -4.325 1.00 0.00 H new ATOM 0 HB3 ALA A 64 -10.721 1.139 -3.500 1.00 0.00 H new ATOM 1030 N LYS A 65 -8.342 2.658 -4.528 1.00 0.00 N ATOM 1031 CA LYS A 65 -7.084 3.296 -4.032 1.00 0.00 C ATOM 1032 C LYS A 65 -6.566 4.315 -5.051 1.00 0.00 C ATOM 1033 O LYS A 65 -5.908 5.276 -4.700 1.00 0.00 O ATOM 1034 CB LYS A 65 -6.086 2.148 -3.870 1.00 0.00 C ATOM 1035 CG LYS A 65 -4.845 2.649 -3.129 1.00 0.00 C ATOM 1036 CD LYS A 65 -5.157 2.772 -1.636 1.00 0.00 C ATOM 1037 CE LYS A 65 -3.880 3.138 -0.876 1.00 0.00 C ATOM 1038 NZ LYS A 65 -3.184 1.842 -0.646 1.00 0.00 N ATOM 0 H LYS A 65 -8.243 1.690 -4.834 1.00 0.00 H new ATOM 0 HA LYS A 65 -7.241 3.833 -3.097 1.00 0.00 H new ATOM 0 HB2 LYS A 65 -6.546 1.328 -3.318 1.00 0.00 H new ATOM 0 HB3 LYS A 65 -5.805 1.756 -4.848 1.00 0.00 H new ATOM 0 HG2 LYS A 65 -4.014 1.960 -3.282 1.00 0.00 H new ATOM 0 HG3 LYS A 65 -4.536 3.615 -3.528 1.00 0.00 H new ATOM 0 HD2 LYS A 65 -5.920 3.534 -1.475 1.00 0.00 H new ATOM 0 HD3 LYS A 65 -5.560 1.832 -1.259 1.00 0.00 H new ATOM 0 HE2 LYS A 65 -3.259 3.822 -1.454 1.00 0.00 H new ATOM 0 HE3 LYS A 65 -4.110 3.635 0.066 1.00 0.00 H new ATOM 0 HZ1 LYS A 65 -2.158 1.976 -0.751 1.00 0.00 H new ATOM 0 HZ2 LYS A 65 -3.393 1.502 0.314 1.00 0.00 H new ATOM 0 HZ3 LYS A 65 -3.515 1.142 -1.341 1.00 0.00 H new ATOM 1052 N SER A 66 -6.860 4.110 -6.310 1.00 0.00 N ATOM 1053 CA SER A 66 -6.386 5.064 -7.362 1.00 0.00 C ATOM 1054 C SER A 66 -6.973 6.458 -7.117 1.00 0.00 C ATOM 1055 O SER A 66 -6.254 7.434 -7.024 1.00 0.00 O ATOM 1056 CB SER A 66 -6.897 4.494 -8.685 1.00 0.00 C ATOM 1057 OG SER A 66 -6.350 5.245 -9.762 1.00 0.00 O ATOM 0 H SER A 66 -7.408 3.323 -6.656 1.00 0.00 H new ATOM 0 HA SER A 66 -5.301 5.169 -7.359 1.00 0.00 H new ATOM 0 HB2 SER A 66 -6.613 3.446 -8.776 1.00 0.00 H new ATOM 0 HB3 SER A 66 -7.986 4.533 -8.715 1.00 0.00 H new ATOM 0 HG SER A 66 -6.674 4.881 -10.612 1.00 0.00 H new ATOM 1063 N ASP A 67 -8.275 6.552 -7.013 1.00 0.00 N ATOM 1064 CA ASP A 67 -8.918 7.882 -6.776 1.00 0.00 C ATOM 1065 C ASP A 67 -8.548 8.413 -5.387 1.00 0.00 C ATOM 1066 O ASP A 67 -8.440 9.607 -5.178 1.00 0.00 O ATOM 1067 CB ASP A 67 -10.428 7.631 -6.876 1.00 0.00 C ATOM 1068 CG ASP A 67 -10.854 6.578 -5.845 1.00 0.00 C ATOM 1069 OD1 ASP A 67 -10.986 6.933 -4.686 1.00 0.00 O ATOM 1070 OD2 ASP A 67 -11.040 5.437 -6.236 1.00 0.00 O ATOM 0 H ASP A 67 -8.921 5.766 -7.082 1.00 0.00 H new ATOM 0 HA ASP A 67 -8.587 8.628 -7.498 1.00 0.00 H new ATOM 0 HB2 ASP A 67 -10.972 8.560 -6.705 1.00 0.00 H new ATOM 0 HB3 ASP A 67 -10.683 7.293 -7.880 1.00 0.00 H new ATOM 1075 N LYS A 68 -8.354 7.531 -4.439 1.00 0.00 N ATOM 1076 CA LYS A 68 -7.990 7.976 -3.058 1.00 0.00 C ATOM 1077 C LYS A 68 -6.617 8.656 -3.062 1.00 0.00 C ATOM 1078 O LYS A 68 -6.337 9.508 -2.240 1.00 0.00 O ATOM 1079 CB LYS A 68 -7.950 6.697 -2.219 1.00 0.00 C ATOM 1080 CG LYS A 68 -7.806 7.060 -0.739 1.00 0.00 C ATOM 1081 CD LYS A 68 -9.172 7.456 -0.176 1.00 0.00 C ATOM 1082 CE LYS A 68 -9.952 6.196 0.207 1.00 0.00 C ATOM 1083 NZ LYS A 68 -11.003 6.668 1.152 1.00 0.00 N ATOM 0 H LYS A 68 -8.432 6.521 -4.561 1.00 0.00 H new ATOM 0 HA LYS A 68 -8.702 8.700 -2.662 1.00 0.00 H new ATOM 0 HB2 LYS A 68 -8.861 6.119 -2.375 1.00 0.00 H new ATOM 0 HB3 LYS A 68 -7.116 6.070 -2.533 1.00 0.00 H new ATOM 0 HG2 LYS A 68 -7.403 6.213 -0.183 1.00 0.00 H new ATOM 0 HG3 LYS A 68 -7.100 7.882 -0.622 1.00 0.00 H new ATOM 0 HD2 LYS A 68 -9.045 8.097 0.696 1.00 0.00 H new ATOM 0 HD3 LYS A 68 -9.729 8.031 -0.916 1.00 0.00 H new ATOM 0 HE2 LYS A 68 -10.393 5.723 -0.670 1.00 0.00 H new ATOM 0 HE3 LYS A 68 -9.303 5.457 0.676 1.00 0.00 H new ATOM 0 HZ1 LYS A 68 -11.581 5.860 1.460 1.00 0.00 H new ATOM 0 HZ2 LYS A 68 -10.553 7.108 1.980 1.00 0.00 H new ATOM 0 HZ3 LYS A 68 -11.610 7.366 0.676 1.00 0.00 H new ATOM 1097 N ALA A 69 -5.764 8.283 -3.981 1.00 0.00 N ATOM 1098 CA ALA A 69 -4.405 8.902 -4.045 1.00 0.00 C ATOM 1099 C ALA A 69 -4.389 10.048 -5.061 1.00 0.00 C ATOM 1100 O ALA A 69 -3.625 10.986 -4.937 1.00 0.00 O ATOM 1101 CB ALA A 69 -3.477 7.774 -4.494 1.00 0.00 C ATOM 0 H ALA A 69 -5.950 7.575 -4.691 1.00 0.00 H new ATOM 0 HA ALA A 69 -4.100 9.325 -3.088 1.00 0.00 H new ATOM 0 HB1 ALA A 69 -2.456 8.149 -4.566 1.00 0.00 H new ATOM 0 HB2 ALA A 69 -3.515 6.961 -3.769 1.00 0.00 H new ATOM 0 HB3 ALA A 69 -3.797 7.406 -5.469 1.00 0.00 H new ATOM 1107 N ARG A 70 -5.227 9.974 -6.063 1.00 0.00 N ATOM 1108 CA ARG A 70 -5.268 11.055 -7.095 1.00 0.00 C ATOM 1109 C ARG A 70 -6.059 12.259 -6.574 1.00 0.00 C ATOM 1110 O ARG A 70 -5.829 13.383 -6.979 1.00 0.00 O ATOM 1111 CB ARG A 70 -5.974 10.431 -8.300 1.00 0.00 C ATOM 1112 CG ARG A 70 -5.585 11.189 -9.570 1.00 0.00 C ATOM 1113 CD ARG A 70 -5.635 10.238 -10.769 1.00 0.00 C ATOM 1114 NE ARG A 70 -4.583 10.734 -11.698 1.00 0.00 N ATOM 1115 CZ ARG A 70 -4.764 10.661 -12.987 1.00 0.00 C ATOM 1116 NH1 ARG A 70 -4.628 9.517 -13.601 1.00 0.00 N ATOM 1117 NH2 ARG A 70 -5.083 11.731 -13.663 1.00 0.00 N ATOM 0 H ARG A 70 -5.886 9.210 -6.212 1.00 0.00 H new ATOM 0 HA ARG A 70 -4.272 11.417 -7.349 1.00 0.00 H new ATOM 0 HB2 ARG A 70 -5.698 9.380 -8.392 1.00 0.00 H new ATOM 0 HB3 ARG A 70 -7.054 10.466 -8.160 1.00 0.00 H new ATOM 0 HG2 ARG A 70 -6.264 12.027 -9.728 1.00 0.00 H new ATOM 0 HG3 ARG A 70 -4.583 11.606 -9.465 1.00 0.00 H new ATOM 0 HD2 ARG A 70 -5.440 9.209 -10.465 1.00 0.00 H new ATOM 0 HD3 ARG A 70 -6.617 10.250 -11.242 1.00 0.00 H new ATOM 0 HE ARG A 70 -3.720 11.131 -11.326 1.00 0.00 H new ATOM 0 HH11 ARG A 70 -4.380 8.681 -13.072 1.00 0.00 H new ATOM 0 HH12 ARG A 70 -4.770 9.459 -14.609 1.00 0.00 H new ATOM 0 HH21 ARG A 70 -5.191 12.624 -13.183 1.00 0.00 H new ATOM 0 HH22 ARG A 70 -5.225 11.674 -14.672 1.00 0.00 H new ATOM 1131 N TYR A 71 -6.988 12.030 -5.681 1.00 0.00 N ATOM 1132 CA TYR A 71 -7.800 13.160 -5.129 1.00 0.00 C ATOM 1133 C TYR A 71 -6.892 14.170 -4.421 1.00 0.00 C ATOM 1134 O TYR A 71 -7.192 15.347 -4.358 1.00 0.00 O ATOM 1135 CB TYR A 71 -8.763 12.516 -4.129 1.00 0.00 C ATOM 1136 CG TYR A 71 -9.793 13.532 -3.694 1.00 0.00 C ATOM 1137 CD1 TYR A 71 -10.916 13.776 -4.492 1.00 0.00 C ATOM 1138 CD2 TYR A 71 -9.622 14.229 -2.493 1.00 0.00 C ATOM 1139 CE1 TYR A 71 -11.870 14.717 -4.089 1.00 0.00 C ATOM 1140 CE2 TYR A 71 -10.576 15.172 -2.089 1.00 0.00 C ATOM 1141 CZ TYR A 71 -11.700 15.415 -2.887 1.00 0.00 C ATOM 1142 OH TYR A 71 -12.641 16.343 -2.489 1.00 0.00 O ATOM 0 H TYR A 71 -7.220 11.109 -5.309 1.00 0.00 H new ATOM 0 HA TYR A 71 -8.331 13.701 -5.912 1.00 0.00 H new ATOM 0 HB2 TYR A 71 -9.255 11.656 -4.584 1.00 0.00 H new ATOM 0 HB3 TYR A 71 -8.212 12.147 -3.264 1.00 0.00 H new ATOM 0 HD1 TYR A 71 -11.047 13.238 -5.419 1.00 0.00 H new ATOM 0 HD2 TYR A 71 -8.755 14.040 -1.878 1.00 0.00 H new ATOM 0 HE1 TYR A 71 -12.737 14.905 -4.705 1.00 0.00 H new ATOM 0 HE2 TYR A 71 -10.444 15.711 -1.162 1.00 0.00 H new ATOM 0 HH TYR A 71 -12.372 16.735 -1.632 1.00 0.00 H new