USER MOD reduce.3.24.130724 H: found=0, std=0, add=491, rem=0, adj=19 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 Single : A 12 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 13 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Single : A 14 SER OG : rot 180:sc= -0.363 USER MOD Single : A 15 SER OG : rot 180:sc= 0 USER MOD Single : A 16 TYR OH : rot 180:sc= 0 USER MOD Single : A 21 GLN : amide:sc= -1.94 X(o=-1.9,f=-1.6) USER MOD Single : A 22 THR OG1 : rot 104:sc= 1.25 USER MOD Single : A 23 SER OG : rot 88:sc= 1.12 USER MOD Single : A 27 HIS : no HD1:sc= 0 X(o=0,f=-0.054) USER MOD Single : A 28 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 29 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 30 LYS NZ :NH3+ 156:sc= -0.277 (180deg=-0.622) USER MOD Single : A 31 HIS : no HD1:sc= -5.76! C(o=-5.8!,f=-7.6!) USER MOD Single : A 34 SER OG : rot 180:sc= 0 USER MOD Single : A 35 SER OG : rot 180:sc= 0 USER MOD Single : A 37 ASN : amide:sc= -0.405 X(o=-0.4,f=-0.84) USER MOD Single : A 42 SER OG : rot 170:sc= -1.48 USER MOD Single : A 43 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 44 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 45 CYS SG : rot -21:sc= -2.01 USER MOD Single : A 46 SER OG : rot 180:sc= -0.576 USER MOD Single : A 50 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 51 THR OG1 : rot -103:sc= -0.59 USER MOD Single : A 52 MET CE :methyl -172:sc= -1.33 (180deg=-1.63) USER MOD Single : A 53 SER OG : rot 180:sc= 0 USER MOD Single : A 55 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 57 LYS NZ :NH3+ 173:sc= 0.0554 (180deg=0.0103) USER MOD Single : A 58 SER OG : rot 180:sc= 0.00684 USER MOD Single : A 59 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 63 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Single : A 65 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 66 SER OG : rot 180:sc= 0 USER MOD Single : A 68 LYS NZ :NH3+ -135:sc= -0.012 (180deg=-0.256) USER MOD Single : A 71 TYR OH : rot 180:sc= 0 USER MOD ----------------------------------------------------------------- ATOM 163 N LYS A 12 -13.695 11.168 -3.009 1.00 0.00 N ATOM 164 CA LYS A 12 -13.335 10.142 -4.033 1.00 0.00 C ATOM 165 C LYS A 12 -14.240 8.915 -3.893 1.00 0.00 C ATOM 166 O LYS A 12 -15.225 8.939 -3.178 1.00 0.00 O ATOM 167 CB LYS A 12 -11.881 9.775 -3.730 1.00 0.00 C ATOM 168 CG LYS A 12 -10.940 10.809 -4.362 1.00 0.00 C ATOM 169 CD LYS A 12 -10.262 10.211 -5.598 1.00 0.00 C ATOM 170 CE LYS A 12 -11.110 10.505 -6.838 1.00 0.00 C ATOM 171 NZ LYS A 12 -10.654 11.843 -7.307 1.00 0.00 N ATOM 0 HA LYS A 12 -13.458 10.512 -5.051 1.00 0.00 H new ATOM 0 HB2 LYS A 12 -11.723 9.737 -2.652 1.00 0.00 H new ATOM 0 HB3 LYS A 12 -11.659 8.782 -4.120 1.00 0.00 H new ATOM 0 HG2 LYS A 12 -11.501 11.701 -4.640 1.00 0.00 H new ATOM 0 HG3 LYS A 12 -10.187 11.119 -3.638 1.00 0.00 H new ATOM 0 HD2 LYS A 12 -9.264 10.633 -5.718 1.00 0.00 H new ATOM 0 HD3 LYS A 12 -10.140 9.135 -5.474 1.00 0.00 H new ATOM 0 HE2 LYS A 12 -10.963 9.746 -7.606 1.00 0.00 H new ATOM 0 HE3 LYS A 12 -12.173 10.512 -6.597 1.00 0.00 H new ATOM 0 HZ1 LYS A 12 -11.190 12.115 -8.156 1.00 0.00 H new ATOM 0 HZ2 LYS A 12 -10.813 12.546 -6.557 1.00 0.00 H new ATOM 0 HZ3 LYS A 12 -9.640 11.804 -7.536 1.00 0.00 H new ATOM 185 N MET A 13 -13.912 7.845 -4.572 1.00 0.00 N ATOM 186 CA MET A 13 -14.745 6.610 -4.484 1.00 0.00 C ATOM 187 C MET A 13 -14.079 5.587 -3.561 1.00 0.00 C ATOM 188 O MET A 13 -13.138 5.899 -2.855 1.00 0.00 O ATOM 189 CB MET A 13 -14.813 6.077 -5.917 1.00 0.00 C ATOM 190 CG MET A 13 -16.007 6.703 -6.639 1.00 0.00 C ATOM 191 SD MET A 13 -15.569 8.369 -7.197 1.00 0.00 S ATOM 192 CE MET A 13 -16.642 8.410 -8.653 1.00 0.00 C ATOM 0 H MET A 13 -13.100 7.775 -5.185 1.00 0.00 H new ATOM 0 HA MET A 13 -15.736 6.807 -4.075 1.00 0.00 H new ATOM 0 HB2 MET A 13 -13.890 6.312 -6.448 1.00 0.00 H new ATOM 0 HB3 MET A 13 -14.908 4.991 -5.908 1.00 0.00 H new ATOM 0 HG2 MET A 13 -16.295 6.087 -7.491 1.00 0.00 H new ATOM 0 HG3 MET A 13 -16.868 6.746 -5.971 1.00 0.00 H new ATOM 0 HE1 MET A 13 -16.530 9.368 -9.160 1.00 0.00 H new ATOM 0 HE2 MET A 13 -16.364 7.605 -9.333 1.00 0.00 H new ATOM 0 HE3 MET A 13 -17.679 8.282 -8.344 1.00 0.00 H new ATOM 202 N SER A 14 -14.562 4.371 -3.560 1.00 0.00 N ATOM 203 CA SER A 14 -13.961 3.322 -2.684 1.00 0.00 C ATOM 204 C SER A 14 -14.373 1.928 -3.168 1.00 0.00 C ATOM 205 O SER A 14 -15.157 1.789 -4.088 1.00 0.00 O ATOM 206 CB SER A 14 -14.530 3.601 -1.293 1.00 0.00 C ATOM 207 OG SER A 14 -14.383 2.442 -0.480 1.00 0.00 O ATOM 0 H SER A 14 -15.349 4.059 -4.130 1.00 0.00 H new ATOM 0 HA SER A 14 -12.871 3.348 -2.692 1.00 0.00 H new ATOM 0 HB2 SER A 14 -14.011 4.445 -0.839 1.00 0.00 H new ATOM 0 HB3 SER A 14 -15.582 3.876 -1.367 1.00 0.00 H new ATOM 0 HG SER A 14 -14.746 2.620 0.413 1.00 0.00 H new ATOM 213 N SER A 15 -13.848 0.899 -2.553 1.00 0.00 N ATOM 214 CA SER A 15 -14.203 -0.492 -2.973 1.00 0.00 C ATOM 215 C SER A 15 -15.684 -0.766 -2.699 1.00 0.00 C ATOM 216 O SER A 15 -16.313 -1.554 -3.380 1.00 0.00 O ATOM 217 CB SER A 15 -13.324 -1.408 -2.120 1.00 0.00 C ATOM 218 OG SER A 15 -13.705 -1.289 -0.756 1.00 0.00 O ATOM 0 H SER A 15 -13.188 0.961 -1.778 1.00 0.00 H new ATOM 0 HA SER A 15 -14.040 -0.651 -4.039 1.00 0.00 H new ATOM 0 HB2 SER A 15 -13.429 -2.442 -2.450 1.00 0.00 H new ATOM 0 HB3 SER A 15 -12.275 -1.140 -2.241 1.00 0.00 H new ATOM 0 HG SER A 15 -13.144 -1.876 -0.207 1.00 0.00 H new ATOM 224 N TYR A 16 -16.242 -0.121 -1.706 1.00 0.00 N ATOM 225 CA TYR A 16 -17.685 -0.338 -1.382 1.00 0.00 C ATOM 226 C TYR A 16 -18.569 0.428 -2.369 1.00 0.00 C ATOM 227 O TYR A 16 -19.683 0.029 -2.654 1.00 0.00 O ATOM 228 CB TYR A 16 -17.864 0.210 0.035 1.00 0.00 C ATOM 229 CG TYR A 16 -19.049 -0.461 0.688 1.00 0.00 C ATOM 230 CD1 TYR A 16 -20.349 -0.058 0.361 1.00 0.00 C ATOM 231 CD2 TYR A 16 -18.847 -1.486 1.619 1.00 0.00 C ATOM 232 CE1 TYR A 16 -21.448 -0.680 0.967 1.00 0.00 C ATOM 233 CE2 TYR A 16 -19.946 -2.108 2.225 1.00 0.00 C ATOM 234 CZ TYR A 16 -21.246 -1.705 1.898 1.00 0.00 C ATOM 235 OH TYR A 16 -22.329 -2.318 2.495 1.00 0.00 O ATOM 0 H TYR A 16 -15.760 0.547 -1.105 1.00 0.00 H new ATOM 0 HA TYR A 16 -17.968 -1.388 -1.450 1.00 0.00 H new ATOM 0 HB2 TYR A 16 -16.963 0.032 0.622 1.00 0.00 H new ATOM 0 HB3 TYR A 16 -18.016 1.289 0.003 1.00 0.00 H new ATOM 0 HD1 TYR A 16 -20.505 0.732 -0.358 1.00 0.00 H new ATOM 0 HD2 TYR A 16 -17.844 -1.797 1.870 1.00 0.00 H new ATOM 0 HE1 TYR A 16 -22.451 -0.369 0.716 1.00 0.00 H new ATOM 0 HE2 TYR A 16 -19.790 -2.898 2.944 1.00 0.00 H new ATOM 0 HH TYR A 16 -22.013 -3.009 3.115 1.00 0.00 H new ATOM 245 N ALA A 17 -18.078 1.522 -2.893 1.00 0.00 N ATOM 246 CA ALA A 17 -18.883 2.320 -3.866 1.00 0.00 C ATOM 247 C ALA A 17 -18.812 1.682 -5.256 1.00 0.00 C ATOM 248 O ALA A 17 -19.733 1.790 -6.045 1.00 0.00 O ATOM 249 CB ALA A 17 -18.236 3.706 -3.878 1.00 0.00 C ATOM 0 H ALA A 17 -17.152 1.898 -2.688 1.00 0.00 H new ATOM 0 HA ALA A 17 -19.936 2.367 -3.590 1.00 0.00 H new ATOM 0 HB1 ALA A 17 -18.773 4.352 -4.572 1.00 0.00 H new ATOM 0 HB2 ALA A 17 -18.277 4.135 -2.877 1.00 0.00 H new ATOM 0 HB3 ALA A 17 -17.196 3.619 -4.194 1.00 0.00 H new ATOM 255 N PHE A 18 -17.727 1.016 -5.556 1.00 0.00 N ATOM 256 CA PHE A 18 -17.586 0.364 -6.893 1.00 0.00 C ATOM 257 C PHE A 18 -18.329 -0.976 -6.907 1.00 0.00 C ATOM 258 O PHE A 18 -18.801 -1.421 -7.936 1.00 0.00 O ATOM 259 CB PHE A 18 -16.083 0.145 -7.073 1.00 0.00 C ATOM 260 CG PHE A 18 -15.473 1.357 -7.735 1.00 0.00 C ATOM 261 CD1 PHE A 18 -15.903 1.750 -9.009 1.00 0.00 C ATOM 262 CD2 PHE A 18 -14.478 2.089 -7.076 1.00 0.00 C ATOM 263 CE1 PHE A 18 -15.337 2.874 -9.623 1.00 0.00 C ATOM 264 CE2 PHE A 18 -13.912 3.212 -7.691 1.00 0.00 C ATOM 265 CZ PHE A 18 -14.341 3.605 -8.964 1.00 0.00 C ATOM 0 H PHE A 18 -16.930 0.895 -4.931 1.00 0.00 H new ATOM 0 HA PHE A 18 -18.007 0.971 -7.695 1.00 0.00 H new ATOM 0 HB2 PHE A 18 -15.612 -0.030 -6.106 1.00 0.00 H new ATOM 0 HB3 PHE A 18 -15.904 -0.743 -7.680 1.00 0.00 H new ATOM 0 HD1 PHE A 18 -16.671 1.186 -9.518 1.00 0.00 H new ATOM 0 HD2 PHE A 18 -14.147 1.787 -6.093 1.00 0.00 H new ATOM 0 HE1 PHE A 18 -15.669 3.177 -10.605 1.00 0.00 H new ATOM 0 HE2 PHE A 18 -13.144 3.776 -7.183 1.00 0.00 H new ATOM 0 HZ PHE A 18 -13.904 4.472 -9.438 1.00 0.00 H new ATOM 275 N PHE A 19 -18.434 -1.616 -5.770 1.00 0.00 N ATOM 276 CA PHE A 19 -19.148 -2.930 -5.709 1.00 0.00 C ATOM 277 C PHE A 19 -20.624 -2.745 -6.071 1.00 0.00 C ATOM 278 O PHE A 19 -21.166 -3.471 -6.883 1.00 0.00 O ATOM 279 CB PHE A 19 -19.006 -3.399 -4.259 1.00 0.00 C ATOM 280 CG PHE A 19 -19.214 -4.893 -4.189 1.00 0.00 C ATOM 281 CD1 PHE A 19 -18.436 -5.748 -4.980 1.00 0.00 C ATOM 282 CD2 PHE A 19 -20.184 -5.424 -3.331 1.00 0.00 C ATOM 283 CE1 PHE A 19 -18.629 -7.132 -4.914 1.00 0.00 C ATOM 284 CE2 PHE A 19 -20.378 -6.809 -3.265 1.00 0.00 C ATOM 285 CZ PHE A 19 -19.601 -7.663 -4.057 1.00 0.00 C ATOM 0 H PHE A 19 -18.057 -1.287 -4.881 1.00 0.00 H new ATOM 0 HA PHE A 19 -18.735 -3.655 -6.411 1.00 0.00 H new ATOM 0 HB2 PHE A 19 -18.018 -3.141 -3.877 1.00 0.00 H new ATOM 0 HB3 PHE A 19 -19.735 -2.890 -3.628 1.00 0.00 H new ATOM 0 HD1 PHE A 19 -17.687 -5.339 -5.641 1.00 0.00 H new ATOM 0 HD2 PHE A 19 -20.783 -4.765 -2.720 1.00 0.00 H new ATOM 0 HE1 PHE A 19 -18.029 -7.791 -5.524 1.00 0.00 H new ATOM 0 HE2 PHE A 19 -21.127 -7.219 -2.603 1.00 0.00 H new ATOM 0 HZ PHE A 19 -19.751 -8.731 -4.007 1.00 0.00 H new ATOM 295 N VAL A 20 -21.273 -1.776 -5.476 1.00 0.00 N ATOM 296 CA VAL A 20 -22.717 -1.534 -5.785 1.00 0.00 C ATOM 297 C VAL A 20 -22.855 -0.932 -7.187 1.00 0.00 C ATOM 298 O VAL A 20 -23.843 -1.139 -7.865 1.00 0.00 O ATOM 299 CB VAL A 20 -23.198 -0.546 -4.715 1.00 0.00 C ATOM 300 CG1 VAL A 20 -24.674 -0.202 -4.946 1.00 0.00 C ATOM 301 CG2 VAL A 20 -23.038 -1.178 -3.330 1.00 0.00 C ATOM 0 H VAL A 20 -20.866 -1.141 -4.789 1.00 0.00 H new ATOM 0 HA VAL A 20 -23.305 -2.452 -5.773 1.00 0.00 H new ATOM 0 HB VAL A 20 -22.602 0.365 -4.777 1.00 0.00 H new ATOM 0 HG11 VAL A 20 -25.008 0.500 -4.182 1.00 0.00 H new ATOM 0 HG12 VAL A 20 -24.792 0.250 -5.931 1.00 0.00 H new ATOM 0 HG13 VAL A 20 -25.273 -1.111 -4.890 1.00 0.00 H new ATOM 0 HG21 VAL A 20 -23.379 -0.477 -2.568 1.00 0.00 H new ATOM 0 HG22 VAL A 20 -23.632 -2.090 -3.276 1.00 0.00 H new ATOM 0 HG23 VAL A 20 -21.989 -1.417 -3.158 1.00 0.00 H new ATOM 311 N GLN A 21 -21.868 -0.190 -7.622 1.00 0.00 N ATOM 312 CA GLN A 21 -21.933 0.428 -8.982 1.00 0.00 C ATOM 313 C GLN A 21 -21.768 -0.650 -10.057 1.00 0.00 C ATOM 314 O GLN A 21 -22.341 -0.565 -11.127 1.00 0.00 O ATOM 315 CB GLN A 21 -20.768 1.419 -9.032 1.00 0.00 C ATOM 316 CG GLN A 21 -21.005 2.431 -10.155 1.00 0.00 C ATOM 317 CD GLN A 21 -20.682 1.783 -11.503 1.00 0.00 C ATOM 318 OE1 GLN A 21 -19.573 1.342 -11.728 1.00 0.00 O ATOM 319 NE2 GLN A 21 -21.611 1.706 -12.416 1.00 0.00 N ATOM 0 H GLN A 21 -21.020 0.015 -7.094 1.00 0.00 H new ATOM 0 HA GLN A 21 -22.888 0.920 -9.165 1.00 0.00 H new ATOM 0 HB2 GLN A 21 -20.675 1.935 -8.077 1.00 0.00 H new ATOM 0 HB3 GLN A 21 -19.831 0.887 -9.199 1.00 0.00 H new ATOM 0 HG2 GLN A 21 -22.041 2.769 -10.141 1.00 0.00 H new ATOM 0 HG3 GLN A 21 -20.380 3.311 -10.004 1.00 0.00 H new ATOM 0 HE21 GLN A 21 -22.543 2.076 -12.228 1.00 0.00 H new ATOM 0 HE22 GLN A 21 -21.405 1.276 -13.318 1.00 0.00 H new ATOM 328 N THR A 22 -20.989 -1.663 -9.774 1.00 0.00 N ATOM 329 CA THR A 22 -20.780 -2.755 -10.771 1.00 0.00 C ATOM 330 C THR A 22 -21.871 -3.819 -10.621 1.00 0.00 C ATOM 331 O THR A 22 -22.243 -4.477 -11.573 1.00 0.00 O ATOM 332 CB THR A 22 -19.408 -3.342 -10.435 1.00 0.00 C ATOM 333 OG1 THR A 22 -18.457 -2.292 -10.341 1.00 0.00 O ATOM 334 CG2 THR A 22 -18.986 -4.320 -11.533 1.00 0.00 C ATOM 0 H THR A 22 -20.488 -1.781 -8.893 1.00 0.00 H new ATOM 0 HA THR A 22 -20.826 -2.393 -11.798 1.00 0.00 H new ATOM 0 HB THR A 22 -19.461 -3.871 -9.483 1.00 0.00 H new ATOM 0 HG1 THR A 22 -18.262 -2.110 -9.398 1.00 0.00 H new ATOM 0 HG21 THR A 22 -18.008 -4.737 -11.292 1.00 0.00 H new ATOM 0 HG22 THR A 22 -19.717 -5.125 -11.604 1.00 0.00 H new ATOM 0 HG23 THR A 22 -18.932 -3.795 -12.487 1.00 0.00 H new ATOM 342 N SER A 23 -22.385 -3.986 -9.429 1.00 0.00 N ATOM 343 CA SER A 23 -23.456 -5.003 -9.205 1.00 0.00 C ATOM 344 C SER A 23 -24.811 -4.448 -9.651 1.00 0.00 C ATOM 345 O SER A 23 -25.669 -5.178 -10.110 1.00 0.00 O ATOM 346 CB SER A 23 -23.452 -5.262 -7.699 1.00 0.00 C ATOM 347 OG SER A 23 -22.170 -5.741 -7.308 1.00 0.00 O ATOM 0 H SER A 23 -22.108 -3.461 -8.600 1.00 0.00 H new ATOM 0 HA SER A 23 -23.283 -5.917 -9.774 1.00 0.00 H new ATOM 0 HB2 SER A 23 -23.690 -4.345 -7.160 1.00 0.00 H new ATOM 0 HB3 SER A 23 -24.220 -5.992 -7.442 1.00 0.00 H new ATOM 0 HG SER A 23 -21.585 -4.981 -7.104 1.00 0.00 H new ATOM 353 N ARG A 24 -25.003 -3.159 -9.521 1.00 0.00 N ATOM 354 CA ARG A 24 -26.302 -2.546 -9.939 1.00 0.00 C ATOM 355 C ARG A 24 -26.430 -2.579 -11.464 1.00 0.00 C ATOM 356 O ARG A 24 -27.492 -2.840 -11.999 1.00 0.00 O ATOM 357 CB ARG A 24 -26.246 -1.101 -9.436 1.00 0.00 C ATOM 358 CG ARG A 24 -27.595 -0.422 -9.681 1.00 0.00 C ATOM 359 CD ARG A 24 -27.749 0.763 -8.726 1.00 0.00 C ATOM 360 NE ARG A 24 -26.833 1.810 -9.261 1.00 0.00 N ATOM 361 CZ ARG A 24 -27.160 3.070 -9.172 1.00 0.00 C ATOM 362 NH1 ARG A 24 -26.997 3.707 -8.045 1.00 0.00 N ATOM 363 NH2 ARG A 24 -27.649 3.692 -10.209 1.00 0.00 N ATOM 0 H ARG A 24 -24.317 -2.505 -9.144 1.00 0.00 H new ATOM 0 HA ARG A 24 -27.160 -3.082 -9.533 1.00 0.00 H new ATOM 0 HB2 ARG A 24 -26.006 -1.084 -8.373 1.00 0.00 H new ATOM 0 HB3 ARG A 24 -25.454 -0.556 -9.950 1.00 0.00 H new ATOM 0 HG2 ARG A 24 -27.661 -0.081 -10.714 1.00 0.00 H new ATOM 0 HG3 ARG A 24 -28.406 -1.134 -9.528 1.00 0.00 H new ATOM 0 HD2 ARG A 24 -28.780 1.117 -8.699 1.00 0.00 H new ATOM 0 HD3 ARG A 24 -27.480 0.486 -7.707 1.00 0.00 H new ATOM 0 HE ARG A 24 -25.951 1.542 -9.697 1.00 0.00 H new ATOM 0 HH11 ARG A 24 -26.614 3.220 -7.235 1.00 0.00 H new ATOM 0 HH12 ARG A 24 -27.252 4.692 -7.974 1.00 0.00 H new ATOM 0 HH21 ARG A 24 -27.776 3.193 -11.090 1.00 0.00 H new ATOM 0 HH22 ARG A 24 -27.905 4.677 -10.139 1.00 0.00 H new ATOM 377 N GLU A 25 -25.354 -2.321 -12.163 1.00 0.00 N ATOM 378 CA GLU A 25 -25.405 -2.340 -13.657 1.00 0.00 C ATOM 379 C GLU A 25 -25.777 -3.741 -14.151 1.00 0.00 C ATOM 380 O GLU A 25 -26.723 -3.915 -14.895 1.00 0.00 O ATOM 381 CB GLU A 25 -23.993 -1.969 -14.115 1.00 0.00 C ATOM 382 CG GLU A 25 -24.077 -1.102 -15.373 1.00 0.00 C ATOM 383 CD GLU A 25 -22.854 -0.186 -15.445 1.00 0.00 C ATOM 384 OE1 GLU A 25 -21.779 -0.686 -15.732 1.00 0.00 O ATOM 385 OE2 GLU A 25 -23.013 1.001 -15.210 1.00 0.00 O ATOM 0 H GLU A 25 -24.442 -2.098 -11.764 1.00 0.00 H new ATOM 0 HA GLU A 25 -26.151 -1.650 -14.052 1.00 0.00 H new ATOM 0 HB2 GLU A 25 -23.472 -1.431 -13.323 1.00 0.00 H new ATOM 0 HB3 GLU A 25 -23.417 -2.871 -14.320 1.00 0.00 H new ATOM 0 HG2 GLU A 25 -24.124 -1.734 -16.260 1.00 0.00 H new ATOM 0 HG3 GLU A 25 -24.990 -0.507 -15.357 1.00 0.00 H new ATOM 392 N GLU A 26 -25.038 -4.739 -13.735 1.00 0.00 N ATOM 393 CA GLU A 26 -25.345 -6.137 -14.171 1.00 0.00 C ATOM 394 C GLU A 26 -26.747 -6.539 -13.702 1.00 0.00 C ATOM 395 O GLU A 26 -27.404 -7.359 -14.317 1.00 0.00 O ATOM 396 CB GLU A 26 -24.284 -7.012 -13.499 1.00 0.00 C ATOM 397 CG GLU A 26 -24.356 -8.430 -14.068 1.00 0.00 C ATOM 398 CD GLU A 26 -23.054 -9.172 -13.757 1.00 0.00 C ATOM 399 OE1 GLU A 26 -22.021 -8.746 -14.249 1.00 0.00 O ATOM 400 OE2 GLU A 26 -23.112 -10.152 -13.034 1.00 0.00 O ATOM 0 H GLU A 26 -24.235 -4.647 -13.112 1.00 0.00 H new ATOM 0 HA GLU A 26 -25.327 -6.242 -15.256 1.00 0.00 H new ATOM 0 HB2 GLU A 26 -23.292 -6.592 -13.666 1.00 0.00 H new ATOM 0 HB3 GLU A 26 -24.444 -7.033 -12.421 1.00 0.00 H new ATOM 0 HG2 GLU A 26 -25.203 -8.964 -13.637 1.00 0.00 H new ATOM 0 HG3 GLU A 26 -24.518 -8.393 -15.145 1.00 0.00 H new ATOM 407 N HIS A 27 -27.208 -5.963 -12.620 1.00 0.00 N ATOM 408 CA HIS A 27 -28.570 -6.302 -12.106 1.00 0.00 C ATOM 409 C HIS A 27 -29.647 -5.672 -12.996 1.00 0.00 C ATOM 410 O HIS A 27 -30.764 -6.148 -13.060 1.00 0.00 O ATOM 411 CB HIS A 27 -28.628 -5.709 -10.697 1.00 0.00 C ATOM 412 CG HIS A 27 -29.863 -6.204 -9.995 1.00 0.00 C ATOM 413 ND1 HIS A 27 -29.891 -7.410 -9.312 1.00 0.00 N ATOM 414 CD2 HIS A 27 -31.120 -5.670 -9.864 1.00 0.00 C ATOM 415 CE1 HIS A 27 -31.128 -7.559 -8.804 1.00 0.00 C ATOM 416 NE2 HIS A 27 -31.918 -6.526 -9.112 1.00 0.00 N ATOM 0 H HIS A 27 -26.699 -5.271 -12.070 1.00 0.00 H new ATOM 0 HA HIS A 27 -28.749 -7.377 -12.102 1.00 0.00 H new ATOM 0 HB2 HIS A 27 -27.739 -5.993 -10.135 1.00 0.00 H new ATOM 0 HB3 HIS A 27 -28.638 -4.620 -10.749 1.00 0.00 H new ATOM 0 HD2 HIS A 27 -31.441 -4.727 -10.282 1.00 0.00 H new ATOM 0 HE1 HIS A 27 -31.444 -8.410 -8.219 1.00 0.00 H new ATOM 0 HE2 HIS A 27 -32.895 -6.394 -8.852 1.00 0.00 H new ATOM 424 N LYS A 28 -29.317 -4.604 -13.685 1.00 0.00 N ATOM 425 CA LYS A 28 -30.320 -3.941 -14.573 1.00 0.00 C ATOM 426 C LYS A 28 -30.243 -4.503 -16.001 1.00 0.00 C ATOM 427 O LYS A 28 -30.722 -3.891 -16.938 1.00 0.00 O ATOM 428 CB LYS A 28 -29.938 -2.461 -14.561 1.00 0.00 C ATOM 429 CG LYS A 28 -30.554 -1.784 -13.335 1.00 0.00 C ATOM 430 CD LYS A 28 -30.419 -0.266 -13.469 1.00 0.00 C ATOM 431 CE LYS A 28 -31.504 0.263 -14.411 1.00 0.00 C ATOM 432 NZ LYS A 28 -31.291 1.737 -14.452 1.00 0.00 N ATOM 0 H LYS A 28 -28.396 -4.165 -13.669 1.00 0.00 H new ATOM 0 HA LYS A 28 -31.341 -4.108 -14.229 1.00 0.00 H new ATOM 0 HB2 LYS A 28 -28.853 -2.355 -14.542 1.00 0.00 H new ATOM 0 HB3 LYS A 28 -30.289 -1.977 -15.472 1.00 0.00 H new ATOM 0 HG2 LYS A 28 -31.605 -2.060 -13.244 1.00 0.00 H new ATOM 0 HG3 LYS A 28 -30.055 -2.126 -12.428 1.00 0.00 H new ATOM 0 HD2 LYS A 28 -30.511 0.206 -12.491 1.00 0.00 H new ATOM 0 HD3 LYS A 28 -29.432 -0.011 -13.855 1.00 0.00 H new ATOM 0 HE2 LYS A 28 -31.414 -0.177 -15.404 1.00 0.00 H new ATOM 0 HE3 LYS A 28 -32.500 0.018 -14.043 1.00 0.00 H new ATOM 0 HZ1 LYS A 28 -31.998 2.173 -15.079 1.00 0.00 H new ATOM 0 HZ2 LYS A 28 -31.390 2.129 -13.494 1.00 0.00 H new ATOM 0 HZ3 LYS A 28 -30.337 1.940 -14.812 1.00 0.00 H new ATOM 446 N LYS A 29 -29.653 -5.661 -16.173 1.00 0.00 N ATOM 447 CA LYS A 29 -29.552 -6.263 -17.536 1.00 0.00 C ATOM 448 C LYS A 29 -30.436 -7.514 -17.636 1.00 0.00 C ATOM 449 O LYS A 29 -30.793 -7.943 -18.716 1.00 0.00 O ATOM 450 CB LYS A 29 -28.077 -6.638 -17.694 1.00 0.00 C ATOM 451 CG LYS A 29 -27.277 -5.404 -18.113 1.00 0.00 C ATOM 452 CD LYS A 29 -25.873 -5.830 -18.549 1.00 0.00 C ATOM 453 CE LYS A 29 -25.064 -4.593 -18.949 1.00 0.00 C ATOM 454 NZ LYS A 29 -23.940 -5.120 -19.771 1.00 0.00 N ATOM 0 H LYS A 29 -29.236 -6.215 -15.425 1.00 0.00 H new ATOM 0 HA LYS A 29 -29.887 -5.577 -18.314 1.00 0.00 H new ATOM 0 HB2 LYS A 29 -27.689 -7.034 -16.755 1.00 0.00 H new ATOM 0 HB3 LYS A 29 -27.969 -7.425 -18.441 1.00 0.00 H new ATOM 0 HG2 LYS A 29 -27.783 -4.890 -18.930 1.00 0.00 H new ATOM 0 HG3 LYS A 29 -27.214 -4.700 -17.284 1.00 0.00 H new ATOM 0 HD2 LYS A 29 -25.373 -6.357 -17.737 1.00 0.00 H new ATOM 0 HD3 LYS A 29 -25.936 -6.523 -19.388 1.00 0.00 H new ATOM 0 HE2 LYS A 29 -25.673 -3.889 -19.517 1.00 0.00 H new ATOM 0 HE3 LYS A 29 -24.696 -4.061 -18.072 1.00 0.00 H new ATOM 0 HZ1 LYS A 29 -23.339 -4.331 -20.084 1.00 0.00 H new ATOM 0 HZ2 LYS A 29 -23.374 -5.782 -19.202 1.00 0.00 H new ATOM 0 HZ3 LYS A 29 -24.321 -5.616 -20.602 1.00 0.00 H new ATOM 468 N LYS A 30 -30.790 -8.100 -16.516 1.00 0.00 N ATOM 469 CA LYS A 30 -31.651 -9.322 -16.542 1.00 0.00 C ATOM 470 C LYS A 30 -32.767 -9.218 -15.499 1.00 0.00 C ATOM 471 O LYS A 30 -33.278 -10.216 -15.029 1.00 0.00 O ATOM 472 CB LYS A 30 -30.711 -10.492 -16.214 1.00 0.00 C ATOM 473 CG LYS A 30 -29.992 -10.248 -14.877 1.00 0.00 C ATOM 474 CD LYS A 30 -28.475 -10.272 -15.088 1.00 0.00 C ATOM 475 CE LYS A 30 -27.780 -10.591 -13.763 1.00 0.00 C ATOM 476 NZ LYS A 30 -26.446 -11.127 -14.149 1.00 0.00 N ATOM 0 H LYS A 30 -30.519 -7.783 -15.585 1.00 0.00 H new ATOM 0 HA LYS A 30 -32.137 -9.453 -17.509 1.00 0.00 H new ATOM 0 HB2 LYS A 30 -31.280 -11.420 -16.163 1.00 0.00 H new ATOM 0 HB3 LYS A 30 -29.978 -10.611 -17.011 1.00 0.00 H new ATOM 0 HG2 LYS A 30 -30.295 -9.287 -14.462 1.00 0.00 H new ATOM 0 HG3 LYS A 30 -30.279 -11.012 -14.155 1.00 0.00 H new ATOM 0 HD2 LYS A 30 -28.213 -11.019 -15.837 1.00 0.00 H new ATOM 0 HD3 LYS A 30 -28.135 -9.308 -15.467 1.00 0.00 H new ATOM 0 HE2 LYS A 30 -27.683 -9.700 -13.143 1.00 0.00 H new ATOM 0 HE3 LYS A 30 -28.347 -11.321 -13.185 1.00 0.00 H new ATOM 0 HZ1 LYS A 30 -25.777 -10.990 -13.365 1.00 0.00 H new ATOM 0 HZ2 LYS A 30 -26.528 -12.142 -14.362 1.00 0.00 H new ATOM 0 HZ3 LYS A 30 -26.100 -10.624 -14.991 1.00 0.00 H new ATOM 490 N HIS A 31 -33.153 -8.018 -15.141 1.00 0.00 N ATOM 491 CA HIS A 31 -34.244 -7.845 -14.131 1.00 0.00 C ATOM 492 C HIS A 31 -35.072 -6.589 -14.458 1.00 0.00 C ATOM 493 O HIS A 31 -35.114 -5.659 -13.677 1.00 0.00 O ATOM 494 CB HIS A 31 -33.529 -7.687 -12.785 1.00 0.00 C ATOM 495 CG HIS A 31 -32.707 -8.914 -12.499 1.00 0.00 C ATOM 496 ND1 HIS A 31 -33.264 -10.182 -12.449 1.00 0.00 N ATOM 497 CD2 HIS A 31 -31.367 -9.084 -12.259 1.00 0.00 C ATOM 498 CE1 HIS A 31 -32.269 -11.050 -12.190 1.00 0.00 C ATOM 499 NE2 HIS A 31 -31.092 -10.434 -12.065 1.00 0.00 N ATOM 0 H HIS A 31 -32.760 -7.150 -15.505 1.00 0.00 H new ATOM 0 HA HIS A 31 -34.934 -8.688 -14.122 1.00 0.00 H new ATOM 0 HB2 HIS A 31 -32.889 -6.805 -12.804 1.00 0.00 H new ATOM 0 HB3 HIS A 31 -34.259 -7.534 -11.990 1.00 0.00 H new ATOM 0 HD2 HIS A 31 -30.636 -8.290 -12.226 1.00 0.00 H new ATOM 0 HE1 HIS A 31 -32.407 -12.117 -12.095 1.00 0.00 H new ATOM 0 HE2 HIS A 31 -30.186 -10.861 -11.869 1.00 0.00 H new ATOM 507 N PRO A 32 -35.713 -6.596 -15.609 1.00 0.00 N ATOM 508 CA PRO A 32 -36.539 -5.429 -16.013 1.00 0.00 C ATOM 509 C PRO A 32 -37.825 -5.371 -15.183 1.00 0.00 C ATOM 510 O PRO A 32 -38.373 -4.310 -14.950 1.00 0.00 O ATOM 511 CB PRO A 32 -36.853 -5.700 -17.482 1.00 0.00 C ATOM 512 CG PRO A 32 -36.748 -7.183 -17.635 1.00 0.00 C ATOM 513 CD PRO A 32 -35.736 -7.661 -16.627 1.00 0.00 C ATOM 0 HA PRO A 32 -36.034 -4.475 -15.860 1.00 0.00 H new ATOM 0 HB2 PRO A 32 -37.850 -5.346 -17.744 1.00 0.00 H new ATOM 0 HB3 PRO A 32 -36.150 -5.185 -18.137 1.00 0.00 H new ATOM 0 HG2 PRO A 32 -37.715 -7.657 -17.465 1.00 0.00 H new ATOM 0 HG3 PRO A 32 -36.438 -7.445 -18.647 1.00 0.00 H new ATOM 0 HD2 PRO A 32 -36.025 -8.619 -16.195 1.00 0.00 H new ATOM 0 HD3 PRO A 32 -34.755 -7.799 -17.082 1.00 0.00 H new ATOM 521 N ASP A 33 -38.305 -6.503 -14.737 1.00 0.00 N ATOM 522 CA ASP A 33 -39.556 -6.523 -13.920 1.00 0.00 C ATOM 523 C ASP A 33 -39.230 -6.835 -12.456 1.00 0.00 C ATOM 524 O ASP A 33 -39.929 -7.585 -11.802 1.00 0.00 O ATOM 525 CB ASP A 33 -40.423 -7.631 -14.532 1.00 0.00 C ATOM 526 CG ASP A 33 -39.677 -8.969 -14.484 1.00 0.00 C ATOM 527 OD1 ASP A 33 -38.808 -9.172 -15.315 1.00 0.00 O ATOM 528 OD2 ASP A 33 -39.990 -9.767 -13.615 1.00 0.00 O ATOM 0 H ASP A 33 -37.884 -7.417 -14.904 1.00 0.00 H new ATOM 0 HA ASP A 33 -40.067 -5.561 -13.931 1.00 0.00 H new ATOM 0 HB2 ASP A 33 -41.364 -7.710 -13.987 1.00 0.00 H new ATOM 0 HB3 ASP A 33 -40.672 -7.381 -15.563 1.00 0.00 H new ATOM 533 N SER A 34 -38.172 -6.261 -11.941 1.00 0.00 N ATOM 534 CA SER A 34 -37.790 -6.516 -10.519 1.00 0.00 C ATOM 535 C SER A 34 -37.361 -5.211 -9.845 1.00 0.00 C ATOM 536 O SER A 34 -36.615 -4.429 -10.406 1.00 0.00 O ATOM 537 CB SER A 34 -36.616 -7.492 -10.594 1.00 0.00 C ATOM 538 OG SER A 34 -36.564 -8.255 -9.395 1.00 0.00 O ATOM 0 H SER A 34 -37.555 -5.625 -12.446 1.00 0.00 H new ATOM 0 HA SER A 34 -38.617 -6.918 -9.934 1.00 0.00 H new ATOM 0 HB2 SER A 34 -36.731 -8.152 -11.454 1.00 0.00 H new ATOM 0 HB3 SER A 34 -35.683 -6.947 -10.733 1.00 0.00 H new ATOM 0 HG SER A 34 -35.813 -8.884 -9.440 1.00 0.00 H new ATOM 544 N SER A 35 -37.829 -4.972 -8.647 1.00 0.00 N ATOM 545 CA SER A 35 -37.457 -3.720 -7.926 1.00 0.00 C ATOM 546 C SER A 35 -36.188 -3.943 -7.099 1.00 0.00 C ATOM 547 O SER A 35 -36.009 -4.982 -6.493 1.00 0.00 O ATOM 548 CB SER A 35 -38.646 -3.421 -7.014 1.00 0.00 C ATOM 549 OG SER A 35 -39.725 -2.925 -7.796 1.00 0.00 O ATOM 0 H SER A 35 -38.456 -5.594 -8.136 1.00 0.00 H new ATOM 0 HA SER A 35 -37.250 -2.896 -8.609 1.00 0.00 H new ATOM 0 HB2 SER A 35 -38.950 -4.325 -6.486 1.00 0.00 H new ATOM 0 HB3 SER A 35 -38.364 -2.689 -6.257 1.00 0.00 H new ATOM 0 HG SER A 35 -40.490 -2.734 -7.214 1.00 0.00 H new ATOM 555 N VAL A 36 -35.310 -2.973 -7.072 1.00 0.00 N ATOM 556 CA VAL A 36 -34.050 -3.121 -6.285 1.00 0.00 C ATOM 557 C VAL A 36 -33.648 -1.775 -5.669 1.00 0.00 C ATOM 558 O VAL A 36 -32.661 -1.176 -6.053 1.00 0.00 O ATOM 559 CB VAL A 36 -33.002 -3.604 -7.297 1.00 0.00 C ATOM 560 CG1 VAL A 36 -32.828 -2.567 -8.412 1.00 0.00 C ATOM 561 CG2 VAL A 36 -31.664 -3.813 -6.586 1.00 0.00 C ATOM 0 H VAL A 36 -35.412 -2.084 -7.562 1.00 0.00 H new ATOM 0 HA VAL A 36 -34.157 -3.820 -5.456 1.00 0.00 H new ATOM 0 HB VAL A 36 -33.338 -4.544 -7.734 1.00 0.00 H new ATOM 0 HG11 VAL A 36 -32.082 -2.920 -9.124 1.00 0.00 H new ATOM 0 HG12 VAL A 36 -33.779 -2.421 -8.925 1.00 0.00 H new ATOM 0 HG13 VAL A 36 -32.499 -1.621 -7.981 1.00 0.00 H new ATOM 0 HG21 VAL A 36 -30.920 -4.156 -7.305 1.00 0.00 H new ATOM 0 HG22 VAL A 36 -31.336 -2.872 -6.145 1.00 0.00 H new ATOM 0 HG23 VAL A 36 -31.782 -4.560 -5.801 1.00 0.00 H new ATOM 571 N ASN A 37 -34.405 -1.302 -4.708 1.00 0.00 N ATOM 572 CA ASN A 37 -34.071 0.004 -4.052 1.00 0.00 C ATOM 573 C ASN A 37 -32.666 -0.064 -3.447 1.00 0.00 C ATOM 574 O ASN A 37 -32.018 -1.093 -3.497 1.00 0.00 O ATOM 575 CB ASN A 37 -35.120 0.182 -2.952 1.00 0.00 C ATOM 576 CG ASN A 37 -35.194 1.655 -2.548 1.00 0.00 C ATOM 577 OD1 ASN A 37 -35.269 2.526 -3.393 1.00 0.00 O ATOM 578 ND2 ASN A 37 -35.178 1.973 -1.283 1.00 0.00 N ATOM 0 H ASN A 37 -35.241 -1.764 -4.349 1.00 0.00 H new ATOM 0 HA ASN A 37 -34.081 0.836 -4.756 1.00 0.00 H new ATOM 0 HB2 ASN A 37 -36.093 -0.158 -3.305 1.00 0.00 H new ATOM 0 HB3 ASN A 37 -34.863 -0.430 -2.088 1.00 0.00 H new ATOM 0 HD21 ASN A 37 -35.228 2.952 -1.003 1.00 0.00 H new ATOM 0 HD22 ASN A 37 -35.115 1.242 -0.574 1.00 0.00 H new ATOM 585 N PHE A 38 -32.187 1.017 -2.881 1.00 0.00 N ATOM 586 CA PHE A 38 -30.820 0.993 -2.283 1.00 0.00 C ATOM 587 C PHE A 38 -30.774 0.030 -1.102 1.00 0.00 C ATOM 588 O PHE A 38 -29.873 -0.756 -0.993 1.00 0.00 O ATOM 589 CB PHE A 38 -30.529 2.416 -1.813 1.00 0.00 C ATOM 590 CG PHE A 38 -30.330 3.308 -3.014 1.00 0.00 C ATOM 591 CD1 PHE A 38 -29.139 3.228 -3.747 1.00 0.00 C ATOM 592 CD2 PHE A 38 -31.329 4.210 -3.397 1.00 0.00 C ATOM 593 CE1 PHE A 38 -28.948 4.050 -4.863 1.00 0.00 C ATOM 594 CE2 PHE A 38 -31.137 5.033 -4.514 1.00 0.00 C ATOM 595 CZ PHE A 38 -29.946 4.952 -5.246 1.00 0.00 C ATOM 0 H PHE A 38 -32.680 1.907 -2.808 1.00 0.00 H new ATOM 0 HA PHE A 38 -30.080 0.656 -3.009 1.00 0.00 H new ATOM 0 HB2 PHE A 38 -31.354 2.786 -1.204 1.00 0.00 H new ATOM 0 HB3 PHE A 38 -29.638 2.429 -1.185 1.00 0.00 H new ATOM 0 HD1 PHE A 38 -28.368 2.532 -3.451 1.00 0.00 H new ATOM 0 HD2 PHE A 38 -32.247 4.271 -2.832 1.00 0.00 H new ATOM 0 HE1 PHE A 38 -28.030 3.988 -5.429 1.00 0.00 H new ATOM 0 HE2 PHE A 38 -31.907 5.730 -4.811 1.00 0.00 H new ATOM 0 HZ PHE A 38 -29.798 5.587 -6.107 1.00 0.00 H new ATOM 605 N ALA A 39 -31.730 0.091 -0.212 1.00 0.00 N ATOM 606 CA ALA A 39 -31.706 -0.833 0.966 1.00 0.00 C ATOM 607 C ALA A 39 -31.944 -2.273 0.531 1.00 0.00 C ATOM 608 O ALA A 39 -31.329 -3.186 1.047 1.00 0.00 O ATOM 609 CB ALA A 39 -32.823 -0.348 1.891 1.00 0.00 C ATOM 0 H ALA A 39 -32.521 0.734 -0.247 1.00 0.00 H new ATOM 0 HA ALA A 39 -30.738 -0.821 1.467 1.00 0.00 H new ATOM 0 HB1 ALA A 39 -32.863 -0.982 2.777 1.00 0.00 H new ATOM 0 HB2 ALA A 39 -32.627 0.682 2.190 1.00 0.00 H new ATOM 0 HB3 ALA A 39 -33.777 -0.398 1.366 1.00 0.00 H new ATOM 615 N GLU A 40 -32.816 -2.489 -0.415 1.00 0.00 N ATOM 616 CA GLU A 40 -33.068 -3.884 -0.880 1.00 0.00 C ATOM 617 C GLU A 40 -31.829 -4.437 -1.600 1.00 0.00 C ATOM 618 O GLU A 40 -31.737 -5.624 -1.852 1.00 0.00 O ATOM 619 CB GLU A 40 -34.255 -3.784 -1.840 1.00 0.00 C ATOM 620 CG GLU A 40 -35.520 -3.434 -1.053 1.00 0.00 C ATOM 621 CD GLU A 40 -36.130 -4.712 -0.472 1.00 0.00 C ATOM 622 OE1 GLU A 40 -35.554 -5.249 0.460 1.00 0.00 O ATOM 623 OE2 GLU A 40 -37.162 -5.132 -0.970 1.00 0.00 O ATOM 0 H GLU A 40 -33.362 -1.766 -0.884 1.00 0.00 H new ATOM 0 HA GLU A 40 -33.279 -4.560 -0.052 1.00 0.00 H new ATOM 0 HB2 GLU A 40 -34.062 -3.023 -2.596 1.00 0.00 H new ATOM 0 HB3 GLU A 40 -34.391 -4.729 -2.366 1.00 0.00 H new ATOM 0 HG2 GLU A 40 -35.281 -2.736 -0.251 1.00 0.00 H new ATOM 0 HG3 GLU A 40 -36.240 -2.938 -1.704 1.00 0.00 H new ATOM 630 N PHE A 41 -30.876 -3.592 -1.930 1.00 0.00 N ATOM 631 CA PHE A 41 -29.653 -4.083 -2.628 1.00 0.00 C ATOM 632 C PHE A 41 -28.411 -3.831 -1.771 1.00 0.00 C ATOM 633 O PHE A 41 -27.551 -4.681 -1.638 1.00 0.00 O ATOM 634 CB PHE A 41 -29.594 -3.285 -3.930 1.00 0.00 C ATOM 635 CG PHE A 41 -28.637 -3.949 -4.888 1.00 0.00 C ATOM 636 CD1 PHE A 41 -29.000 -5.139 -5.528 1.00 0.00 C ATOM 637 CD2 PHE A 41 -27.385 -3.373 -5.138 1.00 0.00 C ATOM 638 CE1 PHE A 41 -28.112 -5.754 -6.418 1.00 0.00 C ATOM 639 CE2 PHE A 41 -26.497 -3.988 -6.028 1.00 0.00 C ATOM 640 CZ PHE A 41 -26.861 -5.179 -6.669 1.00 0.00 C ATOM 0 H PHE A 41 -30.897 -2.589 -1.745 1.00 0.00 H new ATOM 0 HA PHE A 41 -29.685 -5.156 -2.814 1.00 0.00 H new ATOM 0 HB2 PHE A 41 -30.587 -3.224 -4.376 1.00 0.00 H new ATOM 0 HB3 PHE A 41 -29.272 -2.264 -3.728 1.00 0.00 H new ATOM 0 HD1 PHE A 41 -29.965 -5.583 -5.335 1.00 0.00 H new ATOM 0 HD2 PHE A 41 -27.105 -2.454 -4.644 1.00 0.00 H new ATOM 0 HE1 PHE A 41 -28.392 -6.673 -6.911 1.00 0.00 H new ATOM 0 HE2 PHE A 41 -25.531 -3.544 -6.220 1.00 0.00 H new ATOM 0 HZ PHE A 41 -26.177 -5.653 -7.357 1.00 0.00 H new ATOM 650 N SER A 42 -28.326 -2.673 -1.177 1.00 0.00 N ATOM 651 CA SER A 42 -27.158 -2.339 -0.302 1.00 0.00 C ATOM 652 C SER A 42 -27.033 -3.377 0.824 1.00 0.00 C ATOM 653 O SER A 42 -25.976 -3.561 1.397 1.00 0.00 O ATOM 654 CB SER A 42 -27.475 -0.954 0.269 1.00 0.00 C ATOM 655 OG SER A 42 -28.552 -1.060 1.190 1.00 0.00 O ATOM 0 H SER A 42 -29.023 -1.933 -1.259 1.00 0.00 H new ATOM 0 HA SER A 42 -26.213 -2.345 -0.846 1.00 0.00 H new ATOM 0 HB2 SER A 42 -26.596 -0.543 0.766 1.00 0.00 H new ATOM 0 HB3 SER A 42 -27.736 -0.267 -0.536 1.00 0.00 H new ATOM 0 HG SER A 42 -28.652 -0.214 1.675 1.00 0.00 H new ATOM 661 N LYS A 43 -28.111 -4.060 1.136 1.00 0.00 N ATOM 662 CA LYS A 43 -28.074 -5.091 2.212 1.00 0.00 C ATOM 663 C LYS A 43 -27.556 -6.423 1.656 1.00 0.00 C ATOM 664 O LYS A 43 -27.019 -7.239 2.381 1.00 0.00 O ATOM 665 CB LYS A 43 -29.530 -5.235 2.660 1.00 0.00 C ATOM 666 CG LYS A 43 -29.774 -4.372 3.900 1.00 0.00 C ATOM 667 CD LYS A 43 -31.192 -4.616 4.421 1.00 0.00 C ATOM 668 CE LYS A 43 -31.246 -5.962 5.147 1.00 0.00 C ATOM 669 NZ LYS A 43 -32.460 -5.887 6.006 1.00 0.00 N ATOM 0 H LYS A 43 -29.019 -3.943 0.685 1.00 0.00 H new ATOM 0 HA LYS A 43 -27.413 -4.810 3.032 1.00 0.00 H new ATOM 0 HB2 LYS A 43 -30.200 -4.931 1.856 1.00 0.00 H new ATOM 0 HB3 LYS A 43 -29.751 -6.279 2.882 1.00 0.00 H new ATOM 0 HG2 LYS A 43 -29.045 -4.613 4.673 1.00 0.00 H new ATOM 0 HG3 LYS A 43 -29.642 -3.318 3.655 1.00 0.00 H new ATOM 0 HD2 LYS A 43 -31.485 -3.814 5.098 1.00 0.00 H new ATOM 0 HD3 LYS A 43 -31.901 -4.609 3.593 1.00 0.00 H new ATOM 0 HE2 LYS A 43 -31.313 -6.789 4.440 1.00 0.00 H new ATOM 0 HE3 LYS A 43 -30.349 -6.125 5.744 1.00 0.00 H new ATOM 0 HZ1 LYS A 43 -32.565 -6.775 6.537 1.00 0.00 H new ATOM 0 HZ2 LYS A 43 -32.365 -5.095 6.673 1.00 0.00 H new ATOM 0 HZ3 LYS A 43 -33.299 -5.739 5.409 1.00 0.00 H new ATOM 683 N LYS A 44 -27.723 -6.651 0.376 1.00 0.00 N ATOM 684 CA LYS A 44 -27.256 -7.933 -0.232 1.00 0.00 C ATOM 685 C LYS A 44 -25.771 -7.855 -0.599 1.00 0.00 C ATOM 686 O LYS A 44 -25.023 -8.790 -0.379 1.00 0.00 O ATOM 687 CB LYS A 44 -28.107 -8.108 -1.488 1.00 0.00 C ATOM 688 CG LYS A 44 -28.035 -9.565 -1.950 1.00 0.00 C ATOM 689 CD LYS A 44 -28.706 -10.466 -0.912 1.00 0.00 C ATOM 690 CE LYS A 44 -29.108 -11.790 -1.566 1.00 0.00 C ATOM 691 NZ LYS A 44 -29.787 -12.561 -0.489 1.00 0.00 N ATOM 0 H LYS A 44 -28.164 -6.001 -0.275 1.00 0.00 H new ATOM 0 HA LYS A 44 -27.361 -8.770 0.458 1.00 0.00 H new ATOM 0 HB2 LYS A 44 -29.141 -7.831 -1.282 1.00 0.00 H new ATOM 0 HB3 LYS A 44 -27.751 -7.446 -2.277 1.00 0.00 H new ATOM 0 HG2 LYS A 44 -28.528 -9.676 -2.916 1.00 0.00 H new ATOM 0 HG3 LYS A 44 -26.995 -9.863 -2.087 1.00 0.00 H new ATOM 0 HD2 LYS A 44 -28.025 -10.651 -0.081 1.00 0.00 H new ATOM 0 HD3 LYS A 44 -29.585 -9.971 -0.499 1.00 0.00 H new ATOM 0 HE2 LYS A 44 -29.774 -11.626 -2.413 1.00 0.00 H new ATOM 0 HE3 LYS A 44 -28.236 -12.324 -1.944 1.00 0.00 H new ATOM 0 HZ1 LYS A 44 -30.092 -13.483 -0.862 1.00 0.00 H new ATOM 0 HZ2 LYS A 44 -29.127 -12.708 0.301 1.00 0.00 H new ATOM 0 HZ3 LYS A 44 -30.617 -12.031 -0.153 1.00 0.00 H new ATOM 705 N CYS A 45 -25.339 -6.754 -1.165 1.00 0.00 N ATOM 706 CA CYS A 45 -23.898 -6.623 -1.555 1.00 0.00 C ATOM 707 C CYS A 45 -22.991 -6.814 -0.332 1.00 0.00 C ATOM 708 O CYS A 45 -21.879 -7.292 -0.441 1.00 0.00 O ATOM 709 CB CYS A 45 -23.756 -5.207 -2.134 1.00 0.00 C ATOM 710 SG CYS A 45 -24.186 -3.970 -0.881 1.00 0.00 S ATOM 0 H CYS A 45 -25.920 -5.942 -1.374 1.00 0.00 H new ATOM 0 HA CYS A 45 -23.601 -7.380 -2.281 1.00 0.00 H new ATOM 0 HB2 CYS A 45 -22.734 -5.048 -2.477 1.00 0.00 H new ATOM 0 HB3 CYS A 45 -24.404 -5.095 -3.003 1.00 0.00 H new ATOM 0 HG CYS A 45 -24.929 -4.519 0.033 1.00 0.00 H new ATOM 716 N SER A 46 -23.467 -6.441 0.831 1.00 0.00 N ATOM 717 CA SER A 46 -22.643 -6.599 2.068 1.00 0.00 C ATOM 718 C SER A 46 -22.461 -8.084 2.391 1.00 0.00 C ATOM 719 O SER A 46 -21.400 -8.511 2.806 1.00 0.00 O ATOM 720 CB SER A 46 -23.436 -5.903 3.175 1.00 0.00 C ATOM 721 OG SER A 46 -24.729 -6.487 3.263 1.00 0.00 O ATOM 0 H SER A 46 -24.391 -6.034 0.976 1.00 0.00 H new ATOM 0 HA SER A 46 -21.647 -6.170 1.956 1.00 0.00 H new ATOM 0 HB2 SER A 46 -22.915 -5.999 4.128 1.00 0.00 H new ATOM 0 HB3 SER A 46 -23.519 -4.837 2.964 1.00 0.00 H new ATOM 0 HG SER A 46 -25.240 -6.044 3.972 1.00 0.00 H new ATOM 727 N GLU A 47 -23.489 -8.870 2.199 1.00 0.00 N ATOM 728 CA GLU A 47 -23.384 -10.334 2.488 1.00 0.00 C ATOM 729 C GLU A 47 -22.337 -10.973 1.572 1.00 0.00 C ATOM 730 O GLU A 47 -21.620 -11.872 1.968 1.00 0.00 O ATOM 731 CB GLU A 47 -24.772 -10.906 2.197 1.00 0.00 C ATOM 732 CG GLU A 47 -25.664 -10.734 3.428 1.00 0.00 C ATOM 733 CD GLU A 47 -25.226 -11.713 4.517 1.00 0.00 C ATOM 734 OE1 GLU A 47 -25.427 -12.902 4.334 1.00 0.00 O ATOM 735 OE2 GLU A 47 -24.697 -11.257 5.519 1.00 0.00 O ATOM 0 H GLU A 47 -24.398 -8.562 1.854 1.00 0.00 H new ATOM 0 HA GLU A 47 -23.076 -10.530 3.515 1.00 0.00 H new ATOM 0 HB2 GLU A 47 -25.214 -10.397 1.340 1.00 0.00 H new ATOM 0 HB3 GLU A 47 -24.694 -11.961 1.936 1.00 0.00 H new ATOM 0 HG2 GLU A 47 -25.599 -9.710 3.797 1.00 0.00 H new ATOM 0 HG3 GLU A 47 -26.706 -10.912 3.163 1.00 0.00 H new ATOM 742 N ARG A 48 -22.245 -10.507 0.352 1.00 0.00 N ATOM 743 CA ARG A 48 -21.246 -11.077 -0.600 1.00 0.00 C ATOM 744 C ARG A 48 -19.895 -10.380 -0.421 1.00 0.00 C ATOM 745 O ARG A 48 -18.851 -11.001 -0.506 1.00 0.00 O ATOM 746 CB ARG A 48 -21.816 -10.792 -1.990 1.00 0.00 C ATOM 747 CG ARG A 48 -21.221 -11.777 -2.998 1.00 0.00 C ATOM 748 CD ARG A 48 -21.564 -11.324 -4.420 1.00 0.00 C ATOM 749 NE ARG A 48 -23.025 -11.575 -4.561 1.00 0.00 N ATOM 750 CZ ARG A 48 -23.447 -12.692 -5.087 1.00 0.00 C ATOM 751 NH1 ARG A 48 -23.602 -13.749 -4.336 1.00 0.00 N ATOM 752 NH2 ARG A 48 -23.714 -12.753 -6.363 1.00 0.00 N ATOM 0 H ARG A 48 -22.821 -9.754 -0.026 1.00 0.00 H new ATOM 0 HA ARG A 48 -21.080 -12.142 -0.439 1.00 0.00 H new ATOM 0 HB2 ARG A 48 -22.902 -10.883 -1.975 1.00 0.00 H new ATOM 0 HB3 ARG A 48 -21.586 -9.769 -2.286 1.00 0.00 H new ATOM 0 HG2 ARG A 48 -20.140 -11.832 -2.874 1.00 0.00 H new ATOM 0 HG3 ARG A 48 -21.614 -12.778 -2.819 1.00 0.00 H new ATOM 0 HD2 ARG A 48 -21.328 -10.270 -4.566 1.00 0.00 H new ATOM 0 HD3 ARG A 48 -20.994 -11.884 -5.161 1.00 0.00 H new ATOM 0 HE ARG A 48 -23.696 -10.874 -4.246 1.00 0.00 H new ATOM 0 HH11 ARG A 48 -23.393 -13.701 -3.339 1.00 0.00 H new ATOM 0 HH12 ARG A 48 -23.932 -14.622 -4.747 1.00 0.00 H new ATOM 0 HH21 ARG A 48 -23.593 -11.927 -6.949 1.00 0.00 H new ATOM 0 HH22 ARG A 48 -24.044 -13.626 -6.774 1.00 0.00 H new ATOM 766 N TRP A 49 -19.910 -9.095 -0.170 1.00 0.00 N ATOM 767 CA TRP A 49 -18.629 -8.348 0.020 1.00 0.00 C ATOM 768 C TRP A 49 -17.938 -8.814 1.304 1.00 0.00 C ATOM 769 O TRP A 49 -16.724 -8.863 1.384 1.00 0.00 O ATOM 770 CB TRP A 49 -19.030 -6.876 0.130 1.00 0.00 C ATOM 771 CG TRP A 49 -17.802 -6.027 0.210 1.00 0.00 C ATOM 772 CD1 TRP A 49 -17.389 -5.360 1.313 1.00 0.00 C ATOM 773 CD2 TRP A 49 -16.823 -5.744 -0.831 1.00 0.00 C ATOM 774 NE1 TRP A 49 -16.220 -4.686 1.015 1.00 0.00 N ATOM 775 CE2 TRP A 49 -15.830 -4.891 -0.295 1.00 0.00 C ATOM 776 CE3 TRP A 49 -16.701 -6.140 -2.175 1.00 0.00 C ATOM 777 CZ2 TRP A 49 -14.754 -4.446 -1.063 1.00 0.00 C ATOM 778 CZ3 TRP A 49 -15.619 -5.696 -2.952 1.00 0.00 C ATOM 779 CH2 TRP A 49 -14.648 -4.850 -2.397 1.00 0.00 C ATOM 0 H TRP A 49 -20.755 -8.530 -0.088 1.00 0.00 H new ATOM 0 HA TRP A 49 -17.930 -8.514 -0.800 1.00 0.00 H new ATOM 0 HB2 TRP A 49 -19.629 -6.586 -0.733 1.00 0.00 H new ATOM 0 HB3 TRP A 49 -19.649 -6.722 1.014 1.00 0.00 H new ATOM 0 HD1 TRP A 49 -17.891 -5.355 2.269 1.00 0.00 H new ATOM 0 HE1 TRP A 49 -15.707 -4.108 1.681 1.00 0.00 H new ATOM 0 HE3 TRP A 49 -17.444 -6.790 -2.612 1.00 0.00 H new ATOM 0 HZ2 TRP A 49 -14.009 -3.795 -0.631 1.00 0.00 H new ATOM 0 HZ3 TRP A 49 -15.534 -6.008 -3.983 1.00 0.00 H new ATOM 0 HH2 TRP A 49 -13.819 -4.511 -3.000 1.00 0.00 H new ATOM 790 N LYS A 50 -18.705 -9.157 2.307 1.00 0.00 N ATOM 791 CA LYS A 50 -18.103 -9.625 3.593 1.00 0.00 C ATOM 792 C LYS A 50 -17.606 -11.065 3.447 1.00 0.00 C ATOM 793 O LYS A 50 -16.661 -11.474 4.095 1.00 0.00 O ATOM 794 CB LYS A 50 -19.236 -9.549 4.617 1.00 0.00 C ATOM 795 CG LYS A 50 -19.371 -8.111 5.122 1.00 0.00 C ATOM 796 CD LYS A 50 -18.377 -7.875 6.260 1.00 0.00 C ATOM 797 CE LYS A 50 -18.951 -8.431 7.564 1.00 0.00 C ATOM 798 NZ LYS A 50 -17.775 -8.588 8.466 1.00 0.00 N ATOM 0 H LYS A 50 -19.725 -9.133 2.291 1.00 0.00 H new ATOM 0 HA LYS A 50 -17.247 -9.020 3.892 1.00 0.00 H new ATOM 0 HB2 LYS A 50 -20.172 -9.876 4.165 1.00 0.00 H new ATOM 0 HB3 LYS A 50 -19.033 -10.221 5.451 1.00 0.00 H new ATOM 0 HG2 LYS A 50 -19.183 -7.410 4.309 1.00 0.00 H new ATOM 0 HG3 LYS A 50 -20.388 -7.930 5.470 1.00 0.00 H new ATOM 0 HD2 LYS A 50 -17.427 -8.359 6.033 1.00 0.00 H new ATOM 0 HD3 LYS A 50 -18.175 -6.809 6.365 1.00 0.00 H new ATOM 0 HE2 LYS A 50 -19.689 -7.752 7.992 1.00 0.00 H new ATOM 0 HE3 LYS A 50 -19.453 -9.385 7.400 1.00 0.00 H new ATOM 0 HZ1 LYS A 50 -18.089 -8.966 9.383 1.00 0.00 H new ATOM 0 HZ2 LYS A 50 -17.093 -9.245 8.036 1.00 0.00 H new ATOM 0 HZ3 LYS A 50 -17.322 -7.663 8.610 1.00 0.00 H new ATOM 812 N THR A 51 -18.238 -11.833 2.597 1.00 0.00 N ATOM 813 CA THR A 51 -17.811 -13.250 2.396 1.00 0.00 C ATOM 814 C THR A 51 -16.671 -13.327 1.373 1.00 0.00 C ATOM 815 O THR A 51 -15.899 -14.267 1.366 1.00 0.00 O ATOM 816 CB THR A 51 -19.055 -13.965 1.865 1.00 0.00 C ATOM 817 OG1 THR A 51 -19.597 -13.227 0.779 1.00 0.00 O ATOM 818 CG2 THR A 51 -20.096 -14.075 2.980 1.00 0.00 C ATOM 0 H THR A 51 -19.034 -11.538 2.032 1.00 0.00 H new ATOM 0 HA THR A 51 -17.439 -13.701 3.316 1.00 0.00 H new ATOM 0 HB THR A 51 -18.783 -14.964 1.525 1.00 0.00 H new ATOM 0 HG1 THR A 51 -20.391 -12.738 1.080 1.00 0.00 H new ATOM 0 HG21 THR A 51 -20.982 -14.584 2.601 1.00 0.00 H new ATOM 0 HG22 THR A 51 -19.679 -14.642 3.812 1.00 0.00 H new ATOM 0 HG23 THR A 51 -20.370 -13.077 3.322 1.00 0.00 H new ATOM 826 N MET A 52 -16.561 -12.345 0.509 1.00 0.00 N ATOM 827 CA MET A 52 -15.469 -12.359 -0.518 1.00 0.00 C ATOM 828 C MET A 52 -14.097 -12.443 0.161 1.00 0.00 C ATOM 829 O MET A 52 -13.937 -12.056 1.304 1.00 0.00 O ATOM 830 CB MET A 52 -15.610 -11.033 -1.272 1.00 0.00 C ATOM 831 CG MET A 52 -16.700 -11.165 -2.338 1.00 0.00 C ATOM 832 SD MET A 52 -15.962 -11.723 -3.895 1.00 0.00 S ATOM 833 CE MET A 52 -15.794 -10.093 -4.663 1.00 0.00 C ATOM 0 H MET A 52 -17.180 -11.535 0.470 1.00 0.00 H new ATOM 0 HA MET A 52 -15.547 -13.218 -1.184 1.00 0.00 H new ATOM 0 HB2 MET A 52 -15.862 -10.232 -0.577 1.00 0.00 H new ATOM 0 HB3 MET A 52 -14.662 -10.765 -1.738 1.00 0.00 H new ATOM 0 HG2 MET A 52 -17.460 -11.874 -2.010 1.00 0.00 H new ATOM 0 HG3 MET A 52 -17.199 -10.207 -2.483 1.00 0.00 H new ATOM 0 HE1 MET A 52 -15.485 -10.210 -5.702 1.00 0.00 H new ATOM 0 HE2 MET A 52 -16.751 -9.573 -4.626 1.00 0.00 H new ATOM 0 HE3 MET A 52 -15.045 -9.513 -4.125 1.00 0.00 H new ATOM 843 N SER A 53 -13.112 -12.947 -0.536 1.00 0.00 N ATOM 844 CA SER A 53 -11.748 -13.063 0.059 1.00 0.00 C ATOM 845 C SER A 53 -10.851 -11.927 -0.440 1.00 0.00 C ATOM 846 O SER A 53 -11.275 -11.082 -1.207 1.00 0.00 O ATOM 847 CB SER A 53 -11.218 -14.412 -0.425 1.00 0.00 C ATOM 848 OG SER A 53 -12.092 -15.444 0.014 1.00 0.00 O ATOM 0 H SER A 53 -13.194 -13.284 -1.495 1.00 0.00 H new ATOM 0 HA SER A 53 -11.768 -12.997 1.147 1.00 0.00 H new ATOM 0 HB2 SER A 53 -11.146 -14.419 -1.513 1.00 0.00 H new ATOM 0 HB3 SER A 53 -10.213 -14.581 -0.038 1.00 0.00 H new ATOM 0 HG SER A 53 -11.756 -16.311 -0.296 1.00 0.00 H new ATOM 854 N ALA A 54 -9.616 -11.903 -0.008 1.00 0.00 N ATOM 855 CA ALA A 54 -8.680 -10.824 -0.452 1.00 0.00 C ATOM 856 C ALA A 54 -8.320 -10.997 -1.933 1.00 0.00 C ATOM 857 O ALA A 54 -7.928 -10.054 -2.594 1.00 0.00 O ATOM 858 CB ALA A 54 -7.435 -10.989 0.423 1.00 0.00 C ATOM 0 H ALA A 54 -9.214 -12.585 0.635 1.00 0.00 H new ATOM 0 HA ALA A 54 -9.124 -9.834 -0.350 1.00 0.00 H new ATOM 0 HB1 ALA A 54 -6.699 -10.230 0.156 1.00 0.00 H new ATOM 0 HB2 ALA A 54 -7.710 -10.875 1.472 1.00 0.00 H new ATOM 0 HB3 ALA A 54 -7.008 -11.980 0.265 1.00 0.00 H new ATOM 864 N LYS A 55 -8.451 -12.192 -2.457 1.00 0.00 N ATOM 865 CA LYS A 55 -8.116 -12.423 -3.896 1.00 0.00 C ATOM 866 C LYS A 55 -9.138 -11.714 -4.786 1.00 0.00 C ATOM 867 O LYS A 55 -8.828 -11.281 -5.881 1.00 0.00 O ATOM 868 CB LYS A 55 -8.195 -13.938 -4.093 1.00 0.00 C ATOM 869 CG LYS A 55 -7.008 -14.606 -3.397 1.00 0.00 C ATOM 870 CD LYS A 55 -7.184 -16.126 -3.434 1.00 0.00 C ATOM 871 CE LYS A 55 -6.010 -16.796 -2.716 1.00 0.00 C ATOM 872 NZ LYS A 55 -6.138 -18.244 -3.036 1.00 0.00 N ATOM 0 H LYS A 55 -8.775 -13.016 -1.950 1.00 0.00 H new ATOM 0 HA LYS A 55 -7.132 -12.035 -4.158 1.00 0.00 H new ATOM 0 HB2 LYS A 55 -9.131 -14.320 -3.686 1.00 0.00 H new ATOM 0 HB3 LYS A 55 -8.189 -14.178 -5.156 1.00 0.00 H new ATOM 0 HG2 LYS A 55 -6.078 -14.325 -3.891 1.00 0.00 H new ATOM 0 HG3 LYS A 55 -6.937 -14.262 -2.365 1.00 0.00 H new ATOM 0 HD2 LYS A 55 -8.123 -16.405 -2.956 1.00 0.00 H new ATOM 0 HD3 LYS A 55 -7.237 -16.471 -4.467 1.00 0.00 H new ATOM 0 HE2 LYS A 55 -5.056 -16.398 -3.063 1.00 0.00 H new ATOM 0 HE3 LYS A 55 -6.055 -16.624 -1.641 1.00 0.00 H new ATOM 0 HZ1 LYS A 55 -5.367 -18.770 -2.578 1.00 0.00 H new ATOM 0 HZ2 LYS A 55 -7.052 -18.597 -2.688 1.00 0.00 H new ATOM 0 HZ3 LYS A 55 -6.085 -18.378 -4.066 1.00 0.00 H new ATOM 886 N GLU A 56 -10.352 -11.590 -4.318 1.00 0.00 N ATOM 887 CA GLU A 56 -11.407 -10.910 -5.122 1.00 0.00 C ATOM 888 C GLU A 56 -11.558 -9.458 -4.662 1.00 0.00 C ATOM 889 O GLU A 56 -11.661 -8.550 -5.466 1.00 0.00 O ATOM 890 CB GLU A 56 -12.684 -11.699 -4.840 1.00 0.00 C ATOM 891 CG GLU A 56 -12.693 -12.970 -5.690 1.00 0.00 C ATOM 892 CD GLU A 56 -14.106 -13.555 -5.719 1.00 0.00 C ATOM 893 OE1 GLU A 56 -14.916 -13.061 -6.485 1.00 0.00 O ATOM 894 OE2 GLU A 56 -14.354 -14.489 -4.973 1.00 0.00 O ATOM 0 H GLU A 56 -10.659 -11.933 -3.408 1.00 0.00 H new ATOM 0 HA GLU A 56 -11.171 -10.885 -6.186 1.00 0.00 H new ATOM 0 HB2 GLU A 56 -12.740 -11.955 -3.782 1.00 0.00 H new ATOM 0 HB3 GLU A 56 -13.559 -11.090 -5.067 1.00 0.00 H new ATOM 0 HG2 GLU A 56 -12.360 -12.745 -6.703 1.00 0.00 H new ATOM 0 HG3 GLU A 56 -11.994 -13.699 -5.280 1.00 0.00 H new ATOM 901 N LYS A 57 -11.566 -9.238 -3.373 1.00 0.00 N ATOM 902 CA LYS A 57 -11.705 -7.845 -2.844 1.00 0.00 C ATOM 903 C LYS A 57 -10.534 -6.977 -3.321 1.00 0.00 C ATOM 904 O LYS A 57 -10.638 -5.766 -3.382 1.00 0.00 O ATOM 905 CB LYS A 57 -11.678 -7.989 -1.321 1.00 0.00 C ATOM 906 CG LYS A 57 -13.105 -8.161 -0.799 1.00 0.00 C ATOM 907 CD LYS A 57 -13.065 -8.712 0.627 1.00 0.00 C ATOM 908 CE LYS A 57 -12.577 -7.622 1.583 1.00 0.00 C ATOM 909 NZ LYS A 57 -13.791 -6.819 1.900 1.00 0.00 N ATOM 0 H LYS A 57 -11.482 -9.963 -2.661 1.00 0.00 H new ATOM 0 HA LYS A 57 -12.620 -7.365 -3.190 1.00 0.00 H new ATOM 0 HB2 LYS A 57 -11.070 -8.848 -1.037 1.00 0.00 H new ATOM 0 HB3 LYS A 57 -11.218 -7.110 -0.870 1.00 0.00 H new ATOM 0 HG2 LYS A 57 -13.627 -7.204 -0.816 1.00 0.00 H new ATOM 0 HG3 LYS A 57 -13.661 -8.839 -1.447 1.00 0.00 H new ATOM 0 HD2 LYS A 57 -14.057 -9.053 0.924 1.00 0.00 H new ATOM 0 HD3 LYS A 57 -12.403 -9.576 0.676 1.00 0.00 H new ATOM 0 HE2 LYS A 57 -12.142 -8.053 2.485 1.00 0.00 H new ATOM 0 HE3 LYS A 57 -11.806 -7.006 1.120 1.00 0.00 H new ATOM 0 HZ1 LYS A 57 -13.565 -6.125 2.641 1.00 0.00 H new ATOM 0 HZ2 LYS A 57 -14.110 -6.320 1.045 1.00 0.00 H new ATOM 0 HZ3 LYS A 57 -14.547 -7.450 2.236 1.00 0.00 H new ATOM 923 N SER A 58 -9.422 -7.586 -3.655 1.00 0.00 N ATOM 924 CA SER A 58 -8.242 -6.795 -4.125 1.00 0.00 C ATOM 925 C SER A 58 -8.545 -6.143 -5.478 1.00 0.00 C ATOM 926 O SER A 58 -8.049 -5.075 -5.784 1.00 0.00 O ATOM 927 CB SER A 58 -7.105 -7.807 -4.263 1.00 0.00 C ATOM 928 OG SER A 58 -7.514 -8.858 -5.129 1.00 0.00 O ATOM 0 H SER A 58 -9.281 -8.596 -3.622 1.00 0.00 H new ATOM 0 HA SER A 58 -7.988 -5.992 -3.433 1.00 0.00 H new ATOM 0 HB2 SER A 58 -6.215 -7.319 -4.660 1.00 0.00 H new ATOM 0 HB3 SER A 58 -6.839 -8.209 -3.285 1.00 0.00 H new ATOM 0 HG SER A 58 -6.786 -9.508 -5.221 1.00 0.00 H new ATOM 934 N LYS A 59 -9.354 -6.780 -6.286 1.00 0.00 N ATOM 935 CA LYS A 59 -9.694 -6.201 -7.623 1.00 0.00 C ATOM 936 C LYS A 59 -10.517 -4.922 -7.450 1.00 0.00 C ATOM 937 O LYS A 59 -10.465 -4.026 -8.272 1.00 0.00 O ATOM 938 CB LYS A 59 -10.519 -7.278 -8.332 1.00 0.00 C ATOM 939 CG LYS A 59 -10.604 -6.953 -9.825 1.00 0.00 C ATOM 940 CD LYS A 59 -10.881 -8.236 -10.612 1.00 0.00 C ATOM 941 CE LYS A 59 -12.350 -8.630 -10.446 1.00 0.00 C ATOM 942 NZ LYS A 59 -12.427 -10.037 -10.930 1.00 0.00 N ATOM 0 H LYS A 59 -9.794 -7.676 -6.078 1.00 0.00 H new ATOM 0 HA LYS A 59 -8.804 -5.934 -8.193 1.00 0.00 H new ATOM 0 HB2 LYS A 59 -10.061 -8.256 -8.187 1.00 0.00 H new ATOM 0 HB3 LYS A 59 -11.519 -7.327 -7.902 1.00 0.00 H new ATOM 0 HG2 LYS A 59 -11.395 -6.225 -10.005 1.00 0.00 H new ATOM 0 HG3 LYS A 59 -9.672 -6.500 -10.163 1.00 0.00 H new ATOM 0 HD2 LYS A 59 -10.651 -8.085 -11.667 1.00 0.00 H new ATOM 0 HD3 LYS A 59 -10.236 -9.039 -10.257 1.00 0.00 H new ATOM 0 HE2 LYS A 59 -12.665 -8.553 -9.405 1.00 0.00 H new ATOM 0 HE3 LYS A 59 -13.002 -7.977 -11.026 1.00 0.00 H new ATOM 0 HZ1 LYS A 59 -13.406 -10.379 -10.848 1.00 0.00 H new ATOM 0 HZ2 LYS A 59 -12.128 -10.079 -11.925 1.00 0.00 H new ATOM 0 HZ3 LYS A 59 -11.801 -10.637 -10.355 1.00 0.00 H new ATOM 956 N PHE A 60 -11.276 -4.834 -6.388 1.00 0.00 N ATOM 957 CA PHE A 60 -12.108 -3.617 -6.152 1.00 0.00 C ATOM 958 C PHE A 60 -11.351 -2.621 -5.268 1.00 0.00 C ATOM 959 O PHE A 60 -11.555 -1.425 -5.353 1.00 0.00 O ATOM 960 CB PHE A 60 -13.360 -4.125 -5.438 1.00 0.00 C ATOM 961 CG PHE A 60 -14.381 -4.561 -6.462 1.00 0.00 C ATOM 962 CD1 PHE A 60 -15.146 -3.605 -7.138 1.00 0.00 C ATOM 963 CD2 PHE A 60 -14.562 -5.923 -6.735 1.00 0.00 C ATOM 964 CE1 PHE A 60 -16.093 -4.008 -8.087 1.00 0.00 C ATOM 965 CE2 PHE A 60 -15.508 -6.326 -7.683 1.00 0.00 C ATOM 966 CZ PHE A 60 -16.274 -5.370 -8.360 1.00 0.00 C ATOM 0 H PHE A 60 -11.355 -5.556 -5.672 1.00 0.00 H new ATOM 0 HA PHE A 60 -12.351 -3.097 -7.079 1.00 0.00 H new ATOM 0 HB2 PHE A 60 -13.106 -4.959 -4.784 1.00 0.00 H new ATOM 0 HB3 PHE A 60 -13.775 -3.340 -4.806 1.00 0.00 H new ATOM 0 HD1 PHE A 60 -15.006 -2.555 -6.928 1.00 0.00 H new ATOM 0 HD2 PHE A 60 -13.971 -6.662 -6.214 1.00 0.00 H new ATOM 0 HE1 PHE A 60 -16.684 -3.269 -8.608 1.00 0.00 H new ATOM 0 HE2 PHE A 60 -15.648 -7.376 -7.893 1.00 0.00 H new ATOM 0 HZ PHE A 60 -17.004 -5.682 -9.092 1.00 0.00 H new ATOM 976 N GLU A 61 -10.481 -3.110 -4.420 1.00 0.00 N ATOM 977 CA GLU A 61 -9.706 -2.198 -3.525 1.00 0.00 C ATOM 978 C GLU A 61 -8.548 -1.559 -4.296 1.00 0.00 C ATOM 979 O GLU A 61 -8.119 -0.461 -3.990 1.00 0.00 O ATOM 980 CB GLU A 61 -9.174 -3.095 -2.406 1.00 0.00 C ATOM 981 CG GLU A 61 -8.772 -2.232 -1.208 1.00 0.00 C ATOM 982 CD GLU A 61 -7.394 -1.617 -1.461 1.00 0.00 C ATOM 983 OE1 GLU A 61 -6.429 -2.363 -1.485 1.00 0.00 O ATOM 984 OE2 GLU A 61 -7.327 -0.411 -1.627 1.00 0.00 O ATOM 0 H GLU A 61 -10.274 -4.103 -4.309 1.00 0.00 H new ATOM 0 HA GLU A 61 -10.318 -1.384 -3.137 1.00 0.00 H new ATOM 0 HB2 GLU A 61 -9.936 -3.815 -2.109 1.00 0.00 H new ATOM 0 HB3 GLU A 61 -8.316 -3.666 -2.760 1.00 0.00 H new ATOM 0 HG2 GLU A 61 -9.509 -1.445 -1.049 1.00 0.00 H new ATOM 0 HG3 GLU A 61 -8.751 -2.837 -0.301 1.00 0.00 H new ATOM 991 N ASP A 62 -8.041 -2.237 -5.294 1.00 0.00 N ATOM 992 CA ASP A 62 -6.910 -1.675 -6.092 1.00 0.00 C ATOM 993 C ASP A 62 -7.423 -0.597 -7.051 1.00 0.00 C ATOM 994 O ASP A 62 -6.707 0.320 -7.405 1.00 0.00 O ATOM 995 CB ASP A 62 -6.342 -2.862 -6.874 1.00 0.00 C ATOM 996 CG ASP A 62 -4.997 -2.472 -7.490 1.00 0.00 C ATOM 997 OD1 ASP A 62 -4.021 -2.436 -6.758 1.00 0.00 O ATOM 998 OD2 ASP A 62 -4.966 -2.214 -8.682 1.00 0.00 O ATOM 0 H ASP A 62 -8.363 -3.158 -5.591 1.00 0.00 H new ATOM 0 HA ASP A 62 -6.155 -1.206 -5.461 1.00 0.00 H new ATOM 0 HB2 ASP A 62 -6.216 -3.720 -6.213 1.00 0.00 H new ATOM 0 HB3 ASP A 62 -7.039 -3.162 -7.657 1.00 0.00 H new ATOM 1003 N MET A 63 -8.659 -0.702 -7.470 1.00 0.00 N ATOM 1004 CA MET A 63 -9.228 0.313 -8.406 1.00 0.00 C ATOM 1005 C MET A 63 -9.612 1.583 -7.641 1.00 0.00 C ATOM 1006 O MET A 63 -9.597 2.672 -8.183 1.00 0.00 O ATOM 1007 CB MET A 63 -10.471 -0.347 -9.007 1.00 0.00 C ATOM 1008 CG MET A 63 -10.055 -1.271 -10.151 1.00 0.00 C ATOM 1009 SD MET A 63 -9.628 -0.280 -11.604 1.00 0.00 S ATOM 1010 CE MET A 63 -9.720 -1.613 -12.823 1.00 0.00 C ATOM 0 H MET A 63 -9.300 -1.449 -7.203 1.00 0.00 H new ATOM 0 HA MET A 63 -8.514 0.608 -9.174 1.00 0.00 H new ATOM 0 HB2 MET A 63 -11.001 -0.914 -8.242 1.00 0.00 H new ATOM 0 HB3 MET A 63 -11.159 0.415 -9.373 1.00 0.00 H new ATOM 0 HG2 MET A 63 -9.202 -1.879 -9.849 1.00 0.00 H new ATOM 0 HG3 MET A 63 -10.867 -1.957 -10.392 1.00 0.00 H new ATOM 0 HE1 MET A 63 -9.488 -1.218 -13.812 1.00 0.00 H new ATOM 0 HE2 MET A 63 -9.002 -2.392 -12.565 1.00 0.00 H new ATOM 0 HE3 MET A 63 -10.726 -2.033 -12.827 1.00 0.00 H new ATOM 1020 N ALA A 64 -9.955 1.446 -6.384 1.00 0.00 N ATOM 1021 CA ALA A 64 -10.341 2.641 -5.575 1.00 0.00 C ATOM 1022 C ALA A 64 -9.091 3.389 -5.104 1.00 0.00 C ATOM 1023 O ALA A 64 -9.104 4.593 -4.939 1.00 0.00 O ATOM 1024 CB ALA A 64 -11.111 2.080 -4.379 1.00 0.00 C ATOM 0 H ALA A 64 -9.984 0.557 -5.884 1.00 0.00 H new ATOM 0 HA ALA A 64 -10.938 3.350 -6.148 1.00 0.00 H new ATOM 0 HB1 ALA A 64 -11.430 2.899 -3.735 1.00 0.00 H new ATOM 0 HB2 ALA A 64 -11.986 1.535 -4.733 1.00 0.00 H new ATOM 0 HB3 ALA A 64 -10.467 1.405 -3.816 1.00 0.00 H new ATOM 1030 N LYS A 65 -8.012 2.679 -4.890 1.00 0.00 N ATOM 1031 CA LYS A 65 -6.752 3.341 -4.429 1.00 0.00 C ATOM 1032 C LYS A 65 -6.103 4.104 -5.588 1.00 0.00 C ATOM 1033 O LYS A 65 -5.421 5.091 -5.385 1.00 0.00 O ATOM 1034 CB LYS A 65 -5.845 2.199 -3.965 1.00 0.00 C ATOM 1035 CG LYS A 65 -4.645 2.775 -3.210 1.00 0.00 C ATOM 1036 CD LYS A 65 -5.071 3.161 -1.792 1.00 0.00 C ATOM 1037 CE LYS A 65 -3.939 3.932 -1.111 1.00 0.00 C ATOM 1038 NZ LYS A 65 -4.325 3.991 0.327 1.00 0.00 N ATOM 0 H LYS A 65 -7.949 1.669 -5.015 1.00 0.00 H new ATOM 0 HA LYS A 65 -6.934 4.063 -3.633 1.00 0.00 H new ATOM 0 HB2 LYS A 65 -6.401 1.518 -3.321 1.00 0.00 H new ATOM 0 HB3 LYS A 65 -5.504 1.619 -4.823 1.00 0.00 H new ATOM 0 HG2 LYS A 65 -3.840 2.041 -3.172 1.00 0.00 H new ATOM 0 HG3 LYS A 65 -4.257 3.648 -3.735 1.00 0.00 H new ATOM 0 HD2 LYS A 65 -5.973 3.772 -1.826 1.00 0.00 H new ATOM 0 HD3 LYS A 65 -5.313 2.267 -1.218 1.00 0.00 H new ATOM 0 HE2 LYS A 65 -2.982 3.427 -1.243 1.00 0.00 H new ATOM 0 HE3 LYS A 65 -3.832 4.931 -1.533 1.00 0.00 H new ATOM 0 HZ1 LYS A 65 -3.596 4.506 0.861 1.00 0.00 H new ATOM 0 HZ2 LYS A 65 -5.236 4.483 0.422 1.00 0.00 H new ATOM 0 HZ3 LYS A 65 -4.412 3.025 0.703 1.00 0.00 H new ATOM 1052 N SER A 66 -6.313 3.652 -6.798 1.00 0.00 N ATOM 1053 CA SER A 66 -5.710 4.348 -7.978 1.00 0.00 C ATOM 1054 C SER A 66 -6.238 5.782 -8.071 1.00 0.00 C ATOM 1055 O SER A 66 -5.476 6.727 -8.161 1.00 0.00 O ATOM 1056 CB SER A 66 -6.152 3.535 -9.196 1.00 0.00 C ATOM 1057 OG SER A 66 -5.380 3.924 -10.324 1.00 0.00 O ATOM 0 H SER A 66 -6.876 2.831 -7.021 1.00 0.00 H new ATOM 0 HA SER A 66 -4.624 4.411 -7.906 1.00 0.00 H new ATOM 0 HB2 SER A 66 -6.024 2.470 -9.003 1.00 0.00 H new ATOM 0 HB3 SER A 66 -7.212 3.698 -9.392 1.00 0.00 H new ATOM 0 HG SER A 66 -5.659 3.404 -11.106 1.00 0.00 H new ATOM 1063 N ASP A 67 -7.536 5.947 -8.050 1.00 0.00 N ATOM 1064 CA ASP A 67 -8.123 7.321 -8.137 1.00 0.00 C ATOM 1065 C ASP A 67 -7.857 8.094 -6.840 1.00 0.00 C ATOM 1066 O ASP A 67 -7.757 9.307 -6.842 1.00 0.00 O ATOM 1067 CB ASP A 67 -9.629 7.110 -8.344 1.00 0.00 C ATOM 1068 CG ASP A 67 -10.210 6.294 -7.184 1.00 0.00 C ATOM 1069 OD1 ASP A 67 -10.367 6.855 -6.111 1.00 0.00 O ATOM 1070 OD2 ASP A 67 -10.487 5.124 -7.388 1.00 0.00 O ATOM 0 H ASP A 67 -8.216 5.190 -7.976 1.00 0.00 H new ATOM 0 HA ASP A 67 -7.685 7.902 -8.948 1.00 0.00 H new ATOM 0 HB2 ASP A 67 -10.134 8.074 -8.410 1.00 0.00 H new ATOM 0 HB3 ASP A 67 -9.806 6.593 -9.287 1.00 0.00 H new ATOM 1075 N LYS A 68 -7.743 7.399 -5.738 1.00 0.00 N ATOM 1076 CA LYS A 68 -7.483 8.087 -4.435 1.00 0.00 C ATOM 1077 C LYS A 68 -6.149 8.837 -4.489 1.00 0.00 C ATOM 1078 O LYS A 68 -5.962 9.835 -3.820 1.00 0.00 O ATOM 1079 CB LYS A 68 -7.425 6.969 -3.390 1.00 0.00 C ATOM 1080 CG LYS A 68 -7.928 7.499 -2.046 1.00 0.00 C ATOM 1081 CD LYS A 68 -7.406 6.608 -0.918 1.00 0.00 C ATOM 1082 CE LYS A 68 -8.189 6.895 0.365 1.00 0.00 C ATOM 1083 NZ LYS A 68 -9.465 6.142 0.213 1.00 0.00 N ATOM 0 H LYS A 68 -7.819 6.383 -5.683 1.00 0.00 H new ATOM 0 HA LYS A 68 -8.254 8.821 -4.200 1.00 0.00 H new ATOM 0 HB2 LYS A 68 -8.035 6.125 -3.711 1.00 0.00 H new ATOM 0 HB3 LYS A 68 -6.403 6.604 -3.289 1.00 0.00 H new ATOM 0 HG2 LYS A 68 -7.591 8.525 -1.899 1.00 0.00 H new ATOM 0 HG3 LYS A 68 -9.018 7.517 -2.035 1.00 0.00 H new ATOM 0 HD2 LYS A 68 -7.509 5.558 -1.192 1.00 0.00 H new ATOM 0 HD3 LYS A 68 -6.344 6.792 -0.757 1.00 0.00 H new ATOM 0 HE2 LYS A 68 -7.638 6.565 1.246 1.00 0.00 H new ATOM 0 HE3 LYS A 68 -8.372 7.963 0.485 1.00 0.00 H new ATOM 0 HZ1 LYS A 68 -10.261 6.748 0.497 1.00 0.00 H new ATOM 0 HZ2 LYS A 68 -9.584 5.857 -0.780 1.00 0.00 H new ATOM 0 HZ3 LYS A 68 -9.442 5.295 0.816 1.00 0.00 H new ATOM 1097 N ALA A 69 -5.223 8.360 -5.283 1.00 0.00 N ATOM 1098 CA ALA A 69 -3.896 9.042 -5.387 1.00 0.00 C ATOM 1099 C ALA A 69 -4.044 10.384 -6.108 1.00 0.00 C ATOM 1100 O ALA A 69 -3.292 11.311 -5.872 1.00 0.00 O ATOM 1101 CB ALA A 69 -3.016 8.091 -6.201 1.00 0.00 C ATOM 0 H ALA A 69 -5.328 7.528 -5.864 1.00 0.00 H new ATOM 0 HA ALA A 69 -3.467 9.253 -4.407 1.00 0.00 H new ATOM 0 HB1 ALA A 69 -2.023 8.525 -6.319 1.00 0.00 H new ATOM 0 HB2 ALA A 69 -2.935 7.136 -5.682 1.00 0.00 H new ATOM 0 HB3 ALA A 69 -3.462 7.933 -7.183 1.00 0.00 H new ATOM 1107 N ARG A 70 -5.011 10.492 -6.984 1.00 0.00 N ATOM 1108 CA ARG A 70 -5.216 11.774 -7.727 1.00 0.00 C ATOM 1109 C ARG A 70 -5.672 12.875 -6.765 1.00 0.00 C ATOM 1110 O ARG A 70 -5.415 14.045 -6.983 1.00 0.00 O ATOM 1111 CB ARG A 70 -6.309 11.476 -8.754 1.00 0.00 C ATOM 1112 CG ARG A 70 -6.336 12.585 -9.808 1.00 0.00 C ATOM 1113 CD ARG A 70 -5.226 12.342 -10.833 1.00 0.00 C ATOM 1114 NE ARG A 70 -5.008 13.664 -11.484 1.00 0.00 N ATOM 1115 CZ ARG A 70 -5.104 13.778 -12.780 1.00 0.00 C ATOM 1116 NH1 ARG A 70 -6.264 14.013 -13.330 1.00 0.00 N ATOM 1117 NH2 ARG A 70 -4.041 13.656 -13.526 1.00 0.00 N ATOM 0 H ARG A 70 -5.668 9.748 -7.217 1.00 0.00 H new ATOM 0 HA ARG A 70 -4.299 12.123 -8.202 1.00 0.00 H new ATOM 0 HB2 ARG A 70 -6.123 10.513 -9.229 1.00 0.00 H new ATOM 0 HB3 ARG A 70 -7.278 11.406 -8.260 1.00 0.00 H new ATOM 0 HG2 ARG A 70 -7.306 12.606 -10.305 1.00 0.00 H new ATOM 0 HG3 ARG A 70 -6.200 13.556 -9.333 1.00 0.00 H new ATOM 0 HD2 ARG A 70 -4.316 11.984 -10.352 1.00 0.00 H new ATOM 0 HD3 ARG A 70 -5.520 11.587 -11.562 1.00 0.00 H new ATOM 0 HE ARG A 70 -4.783 14.481 -10.916 1.00 0.00 H new ATOM 0 HH11 ARG A 70 -7.095 14.108 -12.747 1.00 0.00 H new ATOM 0 HH12 ARG A 70 -6.339 14.102 -14.343 1.00 0.00 H new ATOM 0 HH21 ARG A 70 -3.135 13.471 -13.096 1.00 0.00 H new ATOM 0 HH22 ARG A 70 -4.116 13.745 -14.539 1.00 0.00 H new ATOM 1131 N TYR A 71 -6.344 12.508 -5.704 1.00 0.00 N ATOM 1132 CA TYR A 71 -6.821 13.530 -4.721 1.00 0.00 C ATOM 1133 C TYR A 71 -5.628 14.173 -4.007 1.00 0.00 C ATOM 1134 O TYR A 71 -5.688 15.314 -3.589 1.00 0.00 O ATOM 1135 CB TYR A 71 -7.689 12.760 -3.724 1.00 0.00 C ATOM 1136 CG TYR A 71 -8.519 13.731 -2.920 1.00 0.00 C ATOM 1137 CD1 TYR A 71 -9.653 14.322 -3.490 1.00 0.00 C ATOM 1138 CD2 TYR A 71 -8.152 14.043 -1.606 1.00 0.00 C ATOM 1139 CE1 TYR A 71 -10.422 15.223 -2.744 1.00 0.00 C ATOM 1140 CE2 TYR A 71 -8.921 14.945 -0.860 1.00 0.00 C ATOM 1141 CZ TYR A 71 -10.056 15.535 -1.429 1.00 0.00 C ATOM 1142 OH TYR A 71 -10.814 16.423 -0.694 1.00 0.00 O ATOM 0 H TYR A 71 -6.584 11.543 -5.475 1.00 0.00 H new ATOM 0 HA TYR A 71 -7.377 14.334 -5.204 1.00 0.00 H new ATOM 0 HB2 TYR A 71 -8.338 12.063 -4.254 1.00 0.00 H new ATOM 0 HB3 TYR A 71 -7.060 12.167 -3.060 1.00 0.00 H new ATOM 0 HD1 TYR A 71 -9.934 14.083 -4.505 1.00 0.00 H new ATOM 0 HD2 TYR A 71 -7.276 13.588 -1.167 1.00 0.00 H new ATOM 0 HE1 TYR A 71 -11.298 15.678 -3.183 1.00 0.00 H new ATOM 0 HE2 TYR A 71 -8.638 15.185 0.154 1.00 0.00 H new ATOM 0 HH TYR A 71 -10.422 16.527 0.198 1.00 0.00 H new