USER MOD reduce.3.24.130724 H: found=0, std=0, add=524, rem=0, adj=13 USER MOD reduce.3.24.130724 removed 443 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 22 SER OG : rot -88:sc= -2.93! USER MOD Single : A 24 SER OG : rot 180:sc= 0 USER MOD Single : A 27 LYS NZ :NH3+ -149:sc= -0.103 (180deg=-1.12) USER MOD Single : A 29 THR OG1 : rot 180:sc= 0.365! USER MOD Single : A 30 GLN : amide:sc= 0.684 K(o=0.68,f=0) USER MOD Single : A 31 TYR OH : rot -122:sc= 0.353 USER MOD Single : A 32 THR OG1 : rot 134:sc= -0.513 USER MOD Single : A 38 HIS : no HD1:sc= -0.204 X(o=-0.2,f=-0.014) USER MOD Single : A 43 SER OG : rot 180:sc= 0 USER MOD Single : A 44 SER OG : rot 28:sc= 0.0898 USER MOD Single : A 45 TYR OH : rot 180:sc= 0 USER MOD Single : A 48 MET CE :methyl -171:sc= -1.43 (180deg=-1.63) USER MOD Single : A 51 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Single : A 52 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 53 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Single : A 55 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Single : A 56 THR OG1 : rot 180:sc= 0.0128 USER MOD Single : A 58 ASN : amide:sc= -2.16 K(o=-2.2,f=-2.9!) USER MOD Single : A 60 GLN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 66 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 67 TYR OH : rot 180:sc= 0 USER MOD Single : A 69 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 79 CYS SG : rot 22:sc= 0 USER MOD ----------------------------------------------------------------- ATOM 214 N VAL A 19 -6.356 5.099 1.066 1.00 0.00 N ATOM 215 CA VAL A 19 -6.865 3.805 0.642 1.00 0.00 C ATOM 216 C VAL A 19 -6.024 3.289 -0.527 1.00 0.00 C ATOM 217 O VAL A 19 -6.052 3.860 -1.617 1.00 0.00 O ATOM 218 CB VAL A 19 -8.354 3.914 0.305 1.00 0.00 C ATOM 219 CG1 VAL A 19 -8.607 5.037 -0.703 1.00 0.00 C ATOM 220 CG2 VAL A 19 -8.898 2.581 -0.212 1.00 0.00 C ATOM 0 HA VAL A 19 -6.780 3.078 1.449 1.00 0.00 H new ATOM 0 HB VAL A 19 -8.888 4.161 1.223 1.00 0.00 H new ATOM 0 HG11 VAL A 19 -9.673 5.093 -0.925 1.00 0.00 H new ATOM 0 HG12 VAL A 19 -8.274 5.986 -0.282 1.00 0.00 H new ATOM 0 HG13 VAL A 19 -8.055 4.833 -1.621 1.00 0.00 H new ATOM 0 HG21 VAL A 19 -9.958 2.686 -0.444 1.00 0.00 H new ATOM 0 HG22 VAL A 19 -8.356 2.292 -1.113 1.00 0.00 H new ATOM 0 HG23 VAL A 19 -8.768 1.814 0.552 1.00 0.00 H new ATOM 230 N LEU A 20 -5.295 2.215 -0.261 1.00 0.00 N ATOM 231 CA LEU A 20 -4.447 1.616 -1.278 1.00 0.00 C ATOM 232 C LEU A 20 -5.293 0.705 -2.170 1.00 0.00 C ATOM 233 O LEU A 20 -5.411 -0.491 -1.907 1.00 0.00 O ATOM 234 CB LEU A 20 -3.255 0.909 -0.632 1.00 0.00 C ATOM 235 CG LEU A 20 -2.141 1.817 -0.105 1.00 0.00 C ATOM 236 CD1 LEU A 20 -1.358 1.130 1.015 1.00 0.00 C ATOM 237 CD2 LEU A 20 -1.228 2.282 -1.241 1.00 0.00 C ATOM 0 H LEU A 20 -5.274 1.744 0.644 1.00 0.00 H new ATOM 0 HA LEU A 20 -4.021 2.386 -1.921 1.00 0.00 H new ATOM 0 HB2 LEU A 20 -3.623 0.301 0.195 1.00 0.00 H new ATOM 0 HB3 LEU A 20 -2.824 0.225 -1.363 1.00 0.00 H new ATOM 0 HG LEU A 20 -2.601 2.708 0.323 1.00 0.00 H new ATOM 0 HD11 LEU A 20 -0.573 1.796 1.372 1.00 0.00 H new ATOM 0 HD12 LEU A 20 -2.033 0.892 1.837 1.00 0.00 H new ATOM 0 HD13 LEU A 20 -0.910 0.212 0.635 1.00 0.00 H new ATOM 0 HD21 LEU A 20 -0.446 2.925 -0.839 1.00 0.00 H new ATOM 0 HD22 LEU A 20 -0.774 1.415 -1.721 1.00 0.00 H new ATOM 0 HD23 LEU A 20 -1.813 2.837 -1.974 1.00 0.00 H new ATOM 248 N ARG A 21 -5.861 1.305 -3.206 1.00 0.00 N ATOM 249 CA ARG A 21 -6.693 0.562 -4.137 1.00 0.00 C ATOM 250 C ARG A 21 -5.823 -0.139 -5.182 1.00 0.00 C ATOM 251 O ARG A 21 -4.734 0.333 -5.508 1.00 0.00 O ATOM 252 CB ARG A 21 -7.685 1.486 -4.845 1.00 0.00 C ATOM 253 CG ARG A 21 -8.917 1.739 -3.974 1.00 0.00 C ATOM 254 CD ARG A 21 -10.179 1.866 -4.830 1.00 0.00 C ATOM 255 NE ARG A 21 -11.382 1.797 -3.971 1.00 0.00 N ATOM 256 CZ ARG A 21 -12.610 2.157 -4.370 1.00 0.00 C ATOM 257 NH1 ARG A 21 -12.805 2.612 -5.614 1.00 0.00 N ATOM 258 NH2 ARG A 21 -13.644 2.062 -3.521 1.00 0.00 N ATOM 0 H ARG A 21 -5.761 2.297 -3.421 1.00 0.00 H new ATOM 0 HA ARG A 21 -7.250 -0.181 -3.566 1.00 0.00 H new ATOM 0 HB2 ARG A 21 -7.201 2.434 -5.080 1.00 0.00 H new ATOM 0 HB3 ARG A 21 -7.990 1.041 -5.792 1.00 0.00 H new ATOM 0 HG2 ARG A 21 -9.037 0.922 -3.262 1.00 0.00 H new ATOM 0 HG3 ARG A 21 -8.775 2.650 -3.393 1.00 0.00 H new ATOM 0 HD2 ARG A 21 -10.165 2.810 -5.375 1.00 0.00 H new ATOM 0 HD3 ARG A 21 -10.206 1.069 -5.573 1.00 0.00 H new ATOM 0 HE ARG A 21 -11.270 1.454 -3.017 1.00 0.00 H new ATOM 0 HH11 ARG A 21 -12.019 2.685 -6.259 1.00 0.00 H new ATOM 0 HH12 ARG A 21 -13.740 2.886 -5.916 1.00 0.00 H new ATOM 0 HH21 ARG A 21 -13.495 1.716 -2.573 1.00 0.00 H new ATOM 0 HH22 ARG A 21 -14.579 2.336 -3.823 1.00 0.00 H new ATOM 269 N SER A 22 -6.336 -1.255 -5.680 1.00 0.00 N ATOM 270 CA SER A 22 -5.619 -2.025 -6.682 1.00 0.00 C ATOM 271 C SER A 22 -5.609 -1.271 -8.014 1.00 0.00 C ATOM 272 O SER A 22 -6.664 -0.919 -8.540 1.00 0.00 O ATOM 273 CB SER A 22 -6.243 -3.411 -6.862 1.00 0.00 C ATOM 274 OG SER A 22 -5.554 -4.183 -7.840 1.00 0.00 O ATOM 0 H SER A 22 -7.239 -1.644 -5.408 1.00 0.00 H new ATOM 0 HA SER A 22 -4.593 -2.159 -6.340 1.00 0.00 H new ATOM 0 HB2 SER A 22 -6.232 -3.940 -5.909 1.00 0.00 H new ATOM 0 HB3 SER A 22 -7.287 -3.303 -7.155 1.00 0.00 H new ATOM 0 HG SER A 22 -5.936 -4.006 -8.725 1.00 0.00 H new ATOM 279 N PRO A 23 -4.374 -1.040 -8.534 1.00 0.00 N ATOM 280 CA PRO A 23 -4.213 -0.333 -9.794 1.00 0.00 C ATOM 281 C PRO A 23 -4.580 -1.232 -10.977 1.00 0.00 C ATOM 282 O PRO A 23 -4.836 -0.744 -12.077 1.00 0.00 O ATOM 283 CB PRO A 23 -2.759 0.109 -9.814 1.00 0.00 C ATOM 284 CG PRO A 23 -2.045 -0.758 -8.790 1.00 0.00 C ATOM 285 CD PRO A 23 -3.103 -1.442 -7.939 1.00 0.00 C ATOM 0 HA PRO A 23 -4.878 0.526 -9.882 1.00 0.00 H new ATOM 0 HB2 PRO A 23 -2.325 -0.020 -10.806 1.00 0.00 H new ATOM 0 HB3 PRO A 23 -2.669 1.166 -9.562 1.00 0.00 H new ATOM 0 HG2 PRO A 23 -1.418 -1.498 -9.287 1.00 0.00 H new ATOM 0 HG3 PRO A 23 -1.388 -0.151 -8.167 1.00 0.00 H new ATOM 0 HD2 PRO A 23 -2.984 -2.525 -7.954 1.00 0.00 H new ATOM 0 HD3 PRO A 23 -3.037 -1.129 -6.897 1.00 0.00 H new ATOM 290 N SER A 24 -4.595 -2.531 -10.711 1.00 0.00 N ATOM 291 CA SER A 24 -4.927 -3.501 -11.739 1.00 0.00 C ATOM 292 C SER A 24 -5.236 -4.857 -11.099 1.00 0.00 C ATOM 293 O SER A 24 -4.827 -5.121 -9.970 1.00 0.00 O ATOM 294 CB SER A 24 -3.789 -3.641 -12.753 1.00 0.00 C ATOM 295 OG SER A 24 -4.276 -3.797 -14.083 1.00 0.00 O ATOM 0 H SER A 24 -4.382 -2.933 -9.798 1.00 0.00 H new ATOM 0 HA SER A 24 -5.810 -3.147 -12.271 1.00 0.00 H new ATOM 0 HB2 SER A 24 -3.148 -2.761 -12.702 1.00 0.00 H new ATOM 0 HB3 SER A 24 -3.172 -4.500 -12.490 1.00 0.00 H new ATOM 0 HG SER A 24 -3.520 -3.881 -14.701 1.00 0.00 H new ATOM 300 N ALA A 25 -5.956 -5.678 -11.848 1.00 0.00 N ATOM 301 CA ALA A 25 -6.325 -6.998 -11.368 1.00 0.00 C ATOM 302 C ALA A 25 -5.062 -7.842 -11.184 1.00 0.00 C ATOM 303 O ALA A 25 -3.991 -7.474 -11.664 1.00 0.00 O ATOM 304 CB ALA A 25 -7.315 -7.639 -12.344 1.00 0.00 C ATOM 0 H ALA A 25 -6.294 -5.455 -12.784 1.00 0.00 H new ATOM 0 HA ALA A 25 -6.820 -6.928 -10.399 1.00 0.00 H new ATOM 0 HB1 ALA A 25 -7.592 -8.630 -11.983 1.00 0.00 H new ATOM 0 HB2 ALA A 25 -8.207 -7.017 -12.418 1.00 0.00 H new ATOM 0 HB3 ALA A 25 -6.852 -7.727 -13.327 1.00 0.00 H new ATOM 310 N GLY A 26 -5.229 -8.955 -10.487 1.00 0.00 N ATOM 311 CA GLY A 26 -4.115 -9.853 -10.233 1.00 0.00 C ATOM 312 C GLY A 26 -4.494 -10.920 -9.204 1.00 0.00 C ATOM 313 O GLY A 26 -5.592 -11.472 -9.253 1.00 0.00 O ATOM 0 H GLY A 26 -6.119 -9.256 -10.090 1.00 0.00 H new ATOM 0 HA2 GLY A 26 -3.810 -10.332 -11.163 1.00 0.00 H new ATOM 0 HA3 GLY A 26 -3.259 -9.283 -9.872 1.00 0.00 H new ATOM 317 N LYS A 27 -3.563 -11.180 -8.298 1.00 0.00 N ATOM 318 CA LYS A 27 -3.786 -12.171 -7.259 1.00 0.00 C ATOM 319 C LYS A 27 -2.895 -11.854 -6.057 1.00 0.00 C ATOM 320 O LYS A 27 -1.683 -12.064 -6.105 1.00 0.00 O ATOM 321 CB LYS A 27 -3.590 -13.584 -7.814 1.00 0.00 C ATOM 322 CG LYS A 27 -4.576 -14.566 -7.179 1.00 0.00 C ATOM 323 CD LYS A 27 -5.108 -15.557 -8.217 1.00 0.00 C ATOM 324 CE LYS A 27 -6.529 -16.003 -7.869 1.00 0.00 C ATOM 325 NZ LYS A 27 -7.504 -15.411 -8.812 1.00 0.00 N ATOM 0 H LYS A 27 -2.653 -10.722 -8.262 1.00 0.00 H new ATOM 0 HA LYS A 27 -4.818 -12.131 -6.911 1.00 0.00 H new ATOM 0 HB2 LYS A 27 -3.726 -13.575 -8.895 1.00 0.00 H new ATOM 0 HB3 LYS A 27 -2.569 -13.915 -7.624 1.00 0.00 H new ATOM 0 HG2 LYS A 27 -4.085 -15.109 -6.371 1.00 0.00 H new ATOM 0 HG3 LYS A 27 -5.407 -14.017 -6.736 1.00 0.00 H new ATOM 0 HD2 LYS A 27 -5.099 -15.095 -9.204 1.00 0.00 H new ATOM 0 HD3 LYS A 27 -4.452 -16.426 -8.266 1.00 0.00 H new ATOM 0 HE2 LYS A 27 -6.594 -17.090 -7.905 1.00 0.00 H new ATOM 0 HE3 LYS A 27 -6.771 -15.702 -6.850 1.00 0.00 H new ATOM 0 HZ1 LYS A 27 -8.410 -15.260 -8.325 1.00 0.00 H new ATOM 0 HZ2 LYS A 27 -7.142 -14.500 -9.160 1.00 0.00 H new ATOM 0 HZ3 LYS A 27 -7.646 -16.057 -9.615 1.00 0.00 H new ATOM 335 N LEU A 28 -3.528 -11.354 -5.007 1.00 0.00 N ATOM 336 CA LEU A 28 -2.807 -11.005 -3.794 1.00 0.00 C ATOM 337 C LEU A 28 -1.959 -12.198 -3.349 1.00 0.00 C ATOM 338 O LEU A 28 -2.322 -13.347 -3.594 1.00 0.00 O ATOM 339 CB LEU A 28 -3.775 -10.504 -2.720 1.00 0.00 C ATOM 340 CG LEU A 28 -3.154 -9.689 -1.584 1.00 0.00 C ATOM 341 CD1 LEU A 28 -2.269 -8.568 -2.133 1.00 0.00 C ATOM 342 CD2 LEU A 28 -4.232 -9.158 -0.637 1.00 0.00 C ATOM 0 H LEU A 28 -4.533 -11.182 -4.970 1.00 0.00 H new ATOM 0 HA LEU A 28 -2.122 -10.179 -3.983 1.00 0.00 H new ATOM 0 HB2 LEU A 28 -4.538 -9.894 -3.203 1.00 0.00 H new ATOM 0 HB3 LEU A 28 -4.283 -11.366 -2.287 1.00 0.00 H new ATOM 0 HG LEU A 28 -2.512 -10.349 -1.002 1.00 0.00 H new ATOM 0 HD11 LEU A 28 -1.840 -8.004 -1.305 1.00 0.00 H new ATOM 0 HD12 LEU A 28 -1.467 -8.998 -2.733 1.00 0.00 H new ATOM 0 HD13 LEU A 28 -2.869 -7.902 -2.753 1.00 0.00 H new ATOM 0 HD21 LEU A 28 -3.764 -8.582 0.161 1.00 0.00 H new ATOM 0 HD22 LEU A 28 -4.919 -8.518 -1.190 1.00 0.00 H new ATOM 0 HD23 LEU A 28 -4.782 -9.995 -0.206 1.00 0.00 H new ATOM 353 N THR A 29 -0.846 -11.885 -2.703 1.00 0.00 N ATOM 354 CA THR A 29 0.056 -12.916 -2.221 1.00 0.00 C ATOM 355 C THR A 29 0.319 -12.739 -0.725 1.00 0.00 C ATOM 356 O THR A 29 -0.154 -13.531 0.089 1.00 0.00 O ATOM 357 CB THR A 29 1.328 -12.867 -3.072 1.00 0.00 C ATOM 358 OG1 THR A 29 1.902 -11.601 -2.763 1.00 0.00 O ATOM 359 CG2 THR A 29 1.028 -12.785 -4.570 1.00 0.00 C ATOM 0 H THR A 29 -0.548 -10.930 -2.502 1.00 0.00 H new ATOM 0 HA THR A 29 -0.385 -13.907 -2.326 1.00 0.00 H new ATOM 0 HB THR A 29 1.933 -13.751 -2.872 1.00 0.00 H new ATOM 0 HG1 THR A 29 2.733 -11.486 -3.270 1.00 0.00 H new ATOM 0 HG21 THR A 29 1.964 -12.753 -5.127 1.00 0.00 H new ATOM 0 HG22 THR A 29 0.454 -13.660 -4.875 1.00 0.00 H new ATOM 0 HG23 THR A 29 0.451 -11.883 -4.777 1.00 0.00 H new ATOM 367 N GLN A 30 1.072 -11.697 -0.408 1.00 0.00 N ATOM 368 CA GLN A 30 1.404 -11.406 0.976 1.00 0.00 C ATOM 369 C GLN A 30 2.041 -10.020 1.090 1.00 0.00 C ATOM 370 O GLN A 30 2.233 -9.337 0.085 1.00 0.00 O ATOM 371 CB GLN A 30 2.323 -12.482 1.557 1.00 0.00 C ATOM 372 CG GLN A 30 3.726 -12.390 0.951 1.00 0.00 C ATOM 373 CD GLN A 30 4.742 -13.153 1.803 1.00 0.00 C ATOM 374 OE1 GLN A 30 4.875 -14.363 1.723 1.00 0.00 O ATOM 375 NE2 GLN A 30 5.451 -12.380 2.621 1.00 0.00 N ATOM 0 H GLN A 30 1.462 -11.043 -1.086 1.00 0.00 H new ATOM 0 HA GLN A 30 0.483 -11.409 1.558 1.00 0.00 H new ATOM 0 HB2 GLN A 30 2.382 -12.369 2.640 1.00 0.00 H new ATOM 0 HB3 GLN A 30 1.903 -13.469 1.362 1.00 0.00 H new ATOM 0 HG2 GLN A 30 3.716 -12.796 -0.061 1.00 0.00 H new ATOM 0 HG3 GLN A 30 4.024 -11.345 0.872 1.00 0.00 H new ATOM 0 HE21 GLN A 30 5.290 -11.373 2.639 1.00 0.00 H new ATOM 0 HE22 GLN A 30 6.156 -12.794 3.231 1.00 0.00 H new ATOM 382 N TYR A 31 2.350 -9.645 2.322 1.00 0.00 N ATOM 383 CA TYR A 31 2.961 -8.352 2.581 1.00 0.00 C ATOM 384 C TYR A 31 4.472 -8.489 2.778 1.00 0.00 C ATOM 385 O TYR A 31 4.953 -9.540 3.200 1.00 0.00 O ATOM 386 CB TYR A 31 2.333 -7.840 3.879 1.00 0.00 C ATOM 387 CG TYR A 31 0.852 -8.187 4.032 1.00 0.00 C ATOM 388 CD1 TYR A 31 -0.073 -7.674 3.145 1.00 0.00 C ATOM 389 CD2 TYR A 31 0.438 -9.013 5.058 1.00 0.00 C ATOM 390 CE1 TYR A 31 -1.469 -8.000 3.289 1.00 0.00 C ATOM 391 CE2 TYR A 31 -0.957 -9.340 5.201 1.00 0.00 C ATOM 392 CZ TYR A 31 -1.841 -8.817 4.310 1.00 0.00 C ATOM 393 OH TYR A 31 -3.158 -9.125 4.447 1.00 0.00 O ATOM 0 H TYR A 31 2.189 -10.214 3.153 1.00 0.00 H new ATOM 0 HA TYR A 31 2.796 -7.675 1.742 1.00 0.00 H new ATOM 0 HB2 TYR A 31 2.882 -8.255 4.724 1.00 0.00 H new ATOM 0 HB3 TYR A 31 2.448 -6.757 3.924 1.00 0.00 H new ATOM 0 HD1 TYR A 31 0.250 -7.028 2.342 1.00 0.00 H new ATOM 0 HD2 TYR A 31 1.161 -9.414 5.753 1.00 0.00 H new ATOM 0 HE1 TYR A 31 -2.203 -7.605 2.602 1.00 0.00 H new ATOM 0 HE2 TYR A 31 -1.294 -9.986 5.998 1.00 0.00 H new ATOM 0 HH TYR A 31 -3.469 -8.846 5.333 1.00 0.00 H new ATOM 402 N THR A 32 5.178 -7.413 2.465 1.00 0.00 N ATOM 403 CA THR A 32 6.624 -7.401 2.603 1.00 0.00 C ATOM 404 C THR A 32 7.029 -6.723 3.914 1.00 0.00 C ATOM 405 O THR A 32 8.206 -6.710 4.272 1.00 0.00 O ATOM 406 CB THR A 32 7.212 -6.724 1.363 1.00 0.00 C ATOM 407 OG1 THR A 32 6.362 -5.602 1.144 1.00 0.00 O ATOM 408 CG2 THR A 32 7.046 -7.572 0.100 1.00 0.00 C ATOM 0 H THR A 32 4.776 -6.543 2.116 1.00 0.00 H new ATOM 0 HA THR A 32 7.024 -8.413 2.659 1.00 0.00 H new ATOM 0 HB THR A 32 8.270 -6.521 1.527 1.00 0.00 H new ATOM 0 HG1 THR A 32 6.908 -4.807 0.972 1.00 0.00 H new ATOM 0 HG21 THR A 32 7.480 -7.046 -0.751 1.00 0.00 H new ATOM 0 HG22 THR A 32 7.554 -8.527 0.234 1.00 0.00 H new ATOM 0 HG23 THR A 32 5.986 -7.747 -0.084 1.00 0.00 H new ATOM 416 N VAL A 33 6.032 -6.177 4.593 1.00 0.00 N ATOM 417 CA VAL A 33 6.268 -5.500 5.857 1.00 0.00 C ATOM 418 C VAL A 33 5.507 -6.223 6.969 1.00 0.00 C ATOM 419 O VAL A 33 4.545 -6.941 6.701 1.00 0.00 O ATOM 420 CB VAL A 33 5.891 -4.021 5.737 1.00 0.00 C ATOM 421 CG1 VAL A 33 6.404 -3.430 4.422 1.00 0.00 C ATOM 422 CG2 VAL A 33 4.379 -3.829 5.871 1.00 0.00 C ATOM 0 H VAL A 33 5.058 -6.189 4.292 1.00 0.00 H new ATOM 0 HA VAL A 33 7.327 -5.532 6.115 1.00 0.00 H new ATOM 0 HB VAL A 33 6.371 -3.485 6.555 1.00 0.00 H new ATOM 0 HG11 VAL A 33 6.123 -2.379 4.361 1.00 0.00 H new ATOM 0 HG12 VAL A 33 7.490 -3.518 4.382 1.00 0.00 H new ATOM 0 HG13 VAL A 33 5.965 -3.972 3.584 1.00 0.00 H new ATOM 0 HG21 VAL A 33 4.137 -2.770 5.782 1.00 0.00 H new ATOM 0 HG22 VAL A 33 3.870 -4.384 5.083 1.00 0.00 H new ATOM 0 HG23 VAL A 33 4.050 -4.196 6.843 1.00 0.00 H new ATOM 432 N GLU A 34 5.965 -6.007 8.193 1.00 0.00 N ATOM 433 CA GLU A 34 5.339 -6.629 9.347 1.00 0.00 C ATOM 434 C GLU A 34 4.116 -5.821 9.787 1.00 0.00 C ATOM 435 O GLU A 34 3.857 -4.742 9.257 1.00 0.00 O ATOM 436 CB GLU A 34 6.337 -6.782 10.497 1.00 0.00 C ATOM 437 CG GLU A 34 6.682 -5.423 11.109 1.00 0.00 C ATOM 438 CD GLU A 34 8.197 -5.232 11.201 1.00 0.00 C ATOM 439 OE1 GLU A 34 8.833 -6.062 11.884 1.00 0.00 O ATOM 440 OE2 GLU A 34 8.684 -4.258 10.585 1.00 0.00 O ATOM 0 H GLU A 34 6.763 -5.410 8.411 1.00 0.00 H new ATOM 0 HA GLU A 34 5.008 -7.628 9.062 1.00 0.00 H new ATOM 0 HB2 GLU A 34 5.917 -7.434 11.263 1.00 0.00 H new ATOM 0 HB3 GLU A 34 7.245 -7.262 10.133 1.00 0.00 H new ATOM 0 HG2 GLU A 34 6.248 -4.627 10.504 1.00 0.00 H new ATOM 0 HG3 GLU A 34 6.241 -5.345 12.103 1.00 0.00 H new ATOM 445 N ASP A 35 3.396 -6.376 10.751 1.00 0.00 N ATOM 446 CA ASP A 35 2.207 -5.721 11.269 1.00 0.00 C ATOM 447 C ASP A 35 2.512 -4.243 11.520 1.00 0.00 C ATOM 448 O ASP A 35 3.389 -3.914 12.318 1.00 0.00 O ATOM 449 CB ASP A 35 1.766 -6.345 12.594 1.00 0.00 C ATOM 450 CG ASP A 35 0.326 -6.037 13.007 1.00 0.00 C ATOM 451 OD1 ASP A 35 -0.575 -6.723 12.477 1.00 0.00 O ATOM 452 OD2 ASP A 35 0.158 -5.123 13.842 1.00 0.00 O ATOM 0 H ASP A 35 3.613 -7.272 11.187 1.00 0.00 H new ATOM 0 HA ASP A 35 1.411 -5.838 10.534 1.00 0.00 H new ATOM 0 HB2 ASP A 35 1.885 -7.426 12.526 1.00 0.00 H new ATOM 0 HB3 ASP A 35 2.436 -5.999 13.382 1.00 0.00 H new ATOM 456 N GLY A 36 1.773 -3.392 10.825 1.00 0.00 N ATOM 457 CA GLY A 36 1.953 -1.956 10.963 1.00 0.00 C ATOM 458 C GLY A 36 3.343 -1.531 10.485 1.00 0.00 C ATOM 459 O GLY A 36 3.937 -0.606 11.037 1.00 0.00 O ATOM 0 H GLY A 36 1.047 -3.669 10.164 1.00 0.00 H new ATOM 0 HA2 GLY A 36 1.190 -1.433 10.386 1.00 0.00 H new ATOM 0 HA3 GLY A 36 1.819 -1.667 12.005 1.00 0.00 H new ATOM 463 N GLY A 37 3.820 -2.226 9.462 1.00 0.00 N ATOM 464 CA GLY A 37 5.129 -1.931 8.903 1.00 0.00 C ATOM 465 C GLY A 37 5.147 -0.546 8.252 1.00 0.00 C ATOM 466 O GLY A 37 4.272 -0.221 7.452 1.00 0.00 O ATOM 0 H GLY A 37 3.324 -2.992 9.006 1.00 0.00 H new ATOM 0 HA2 GLY A 37 5.883 -1.977 9.689 1.00 0.00 H new ATOM 0 HA3 GLY A 37 5.392 -2.688 8.164 1.00 0.00 H new ATOM 470 N HIS A 38 6.154 0.232 8.620 1.00 0.00 N ATOM 471 CA HIS A 38 6.299 1.574 8.081 1.00 0.00 C ATOM 472 C HIS A 38 7.181 1.534 6.833 1.00 0.00 C ATOM 473 O HIS A 38 8.141 0.768 6.771 1.00 0.00 O ATOM 474 CB HIS A 38 6.827 2.534 9.149 1.00 0.00 C ATOM 475 CG HIS A 38 7.647 3.675 8.597 1.00 0.00 C ATOM 476 ND1 HIS A 38 7.110 4.923 8.328 1.00 0.00 N ATOM 477 CD2 HIS A 38 8.969 3.746 8.268 1.00 0.00 C ATOM 478 CE1 HIS A 38 8.074 5.700 7.858 1.00 0.00 C ATOM 479 NE2 HIS A 38 9.225 4.968 7.820 1.00 0.00 N ATOM 0 H HIS A 38 6.878 -0.041 9.285 1.00 0.00 H new ATOM 0 HA HIS A 38 5.323 1.956 7.781 1.00 0.00 H new ATOM 0 HB2 HIS A 38 5.983 2.942 9.705 1.00 0.00 H new ATOM 0 HB3 HIS A 38 7.435 1.973 9.859 1.00 0.00 H new ATOM 0 HD2 HIS A 38 9.686 2.943 8.357 1.00 0.00 H new ATOM 0 HE1 HIS A 38 7.968 6.732 7.558 1.00 0.00 H new ATOM 0 HE2 HIS A 38 10.133 5.305 7.500 1.00 0.00 H new ATOM 486 N VAL A 39 6.822 2.367 5.866 1.00 0.00 N ATOM 487 CA VAL A 39 7.569 2.436 4.622 1.00 0.00 C ATOM 488 C VAL A 39 7.523 3.867 4.084 1.00 0.00 C ATOM 489 O VAL A 39 6.896 4.739 4.683 1.00 0.00 O ATOM 490 CB VAL A 39 7.026 1.407 3.628 1.00 0.00 C ATOM 491 CG1 VAL A 39 7.417 -0.014 4.041 1.00 0.00 C ATOM 492 CG2 VAL A 39 5.509 1.536 3.478 1.00 0.00 C ATOM 0 H VAL A 39 6.024 3.000 5.920 1.00 0.00 H new ATOM 0 HA VAL A 39 8.616 2.185 4.791 1.00 0.00 H new ATOM 0 HB VAL A 39 7.477 1.610 2.657 1.00 0.00 H new ATOM 0 HG11 VAL A 39 7.019 -0.726 3.318 1.00 0.00 H new ATOM 0 HG12 VAL A 39 8.503 -0.098 4.072 1.00 0.00 H new ATOM 0 HG13 VAL A 39 7.008 -0.232 5.028 1.00 0.00 H new ATOM 0 HG21 VAL A 39 5.149 0.793 2.766 1.00 0.00 H new ATOM 0 HG22 VAL A 39 5.033 1.373 4.445 1.00 0.00 H new ATOM 0 HG23 VAL A 39 5.263 2.534 3.116 1.00 0.00 H new ATOM 502 N GLU A 40 8.197 4.064 2.960 1.00 0.00 N ATOM 503 CA GLU A 40 8.241 5.376 2.335 1.00 0.00 C ATOM 504 C GLU A 40 7.569 5.331 0.961 1.00 0.00 C ATOM 505 O GLU A 40 6.914 4.349 0.618 1.00 0.00 O ATOM 506 CB GLU A 40 9.681 5.881 2.224 1.00 0.00 C ATOM 507 CG GLU A 40 10.455 5.105 1.157 1.00 0.00 C ATOM 508 CD GLU A 40 11.954 5.405 1.239 1.00 0.00 C ATOM 509 OE1 GLU A 40 12.575 4.929 2.214 1.00 0.00 O ATOM 510 OE2 GLU A 40 12.444 6.102 0.326 1.00 0.00 O ATOM 0 H GLU A 40 8.716 3.338 2.466 1.00 0.00 H new ATOM 0 HA GLU A 40 7.692 6.076 2.964 1.00 0.00 H new ATOM 0 HB2 GLU A 40 9.679 6.943 1.977 1.00 0.00 H new ATOM 0 HB3 GLU A 40 10.181 5.779 3.187 1.00 0.00 H new ATOM 0 HG2 GLU A 40 10.287 4.036 1.286 1.00 0.00 H new ATOM 0 HG3 GLU A 40 10.081 5.369 0.168 1.00 0.00 H new ATOM 515 N ALA A 41 7.755 6.408 0.212 1.00 0.00 N ATOM 516 CA ALA A 41 7.175 6.505 -1.117 1.00 0.00 C ATOM 517 C ALA A 41 8.191 6.013 -2.150 1.00 0.00 C ATOM 518 O ALA A 41 9.098 6.750 -2.532 1.00 0.00 O ATOM 519 CB ALA A 41 6.731 7.946 -1.376 1.00 0.00 C ATOM 0 H ALA A 41 8.299 7.221 0.500 1.00 0.00 H new ATOM 0 HA ALA A 41 6.291 5.872 -1.197 1.00 0.00 H new ATOM 0 HB1 ALA A 41 6.296 8.019 -2.373 1.00 0.00 H new ATOM 0 HB2 ALA A 41 5.988 8.237 -0.633 1.00 0.00 H new ATOM 0 HB3 ALA A 41 7.592 8.610 -1.307 1.00 0.00 H new ATOM 525 N GLY A 42 8.003 4.771 -2.571 1.00 0.00 N ATOM 526 CA GLY A 42 8.892 4.172 -3.552 1.00 0.00 C ATOM 527 C GLY A 42 9.228 2.727 -3.177 1.00 0.00 C ATOM 528 O GLY A 42 9.808 1.993 -3.976 1.00 0.00 O ATOM 0 H GLY A 42 7.249 4.163 -2.251 1.00 0.00 H new ATOM 0 HA2 GLY A 42 8.423 4.197 -4.536 1.00 0.00 H new ATOM 0 HA3 GLY A 42 9.810 4.756 -3.621 1.00 0.00 H new ATOM 532 N SER A 43 8.849 2.361 -1.962 1.00 0.00 N ATOM 533 CA SER A 43 9.103 1.018 -1.472 1.00 0.00 C ATOM 534 C SER A 43 7.924 0.104 -1.815 1.00 0.00 C ATOM 535 O SER A 43 6.989 0.521 -2.496 1.00 0.00 O ATOM 536 CB SER A 43 9.350 1.019 0.038 1.00 0.00 C ATOM 537 OG SER A 43 10.726 1.217 0.354 1.00 0.00 O ATOM 0 H SER A 43 8.368 2.972 -1.302 1.00 0.00 H new ATOM 0 HA SER A 43 10.002 0.641 -1.960 1.00 0.00 H new ATOM 0 HB2 SER A 43 8.755 1.805 0.502 1.00 0.00 H new ATOM 0 HB3 SER A 43 9.013 0.073 0.461 1.00 0.00 H new ATOM 0 HG SER A 43 10.842 1.213 1.327 1.00 0.00 H new ATOM 542 N SER A 44 8.008 -1.126 -1.328 1.00 0.00 N ATOM 543 CA SER A 44 6.961 -2.102 -1.575 1.00 0.00 C ATOM 544 C SER A 44 6.480 -2.699 -0.251 1.00 0.00 C ATOM 545 O SER A 44 7.289 -3.119 0.575 1.00 0.00 O ATOM 546 CB SER A 44 7.449 -3.209 -2.511 1.00 0.00 C ATOM 547 OG SER A 44 8.620 -3.851 -2.014 1.00 0.00 O ATOM 0 H SER A 44 8.785 -1.468 -0.764 1.00 0.00 H new ATOM 0 HA SER A 44 6.128 -1.594 -2.061 1.00 0.00 H new ATOM 0 HB2 SER A 44 6.658 -3.948 -2.642 1.00 0.00 H new ATOM 0 HB3 SER A 44 7.657 -2.787 -3.494 1.00 0.00 H new ATOM 0 HG SER A 44 8.631 -3.799 -1.035 1.00 0.00 H new ATOM 552 N TYR A 45 5.164 -2.720 -0.091 1.00 0.00 N ATOM 553 CA TYR A 45 4.567 -3.260 1.118 1.00 0.00 C ATOM 554 C TYR A 45 3.852 -4.582 0.833 1.00 0.00 C ATOM 555 O TYR A 45 3.569 -5.350 1.752 1.00 0.00 O ATOM 556 CB TYR A 45 3.537 -2.225 1.577 1.00 0.00 C ATOM 557 CG TYR A 45 2.202 -2.304 0.833 1.00 0.00 C ATOM 558 CD1 TYR A 45 1.338 -3.353 1.074 1.00 0.00 C ATOM 559 CD2 TYR A 45 1.861 -1.325 -0.078 1.00 0.00 C ATOM 560 CE1 TYR A 45 0.083 -3.427 0.374 1.00 0.00 C ATOM 561 CE2 TYR A 45 0.605 -1.400 -0.778 1.00 0.00 C ATOM 562 CZ TYR A 45 -0.222 -2.446 -0.518 1.00 0.00 C ATOM 563 OH TYR A 45 -1.409 -2.517 -1.178 1.00 0.00 O ATOM 0 H TYR A 45 4.496 -2.372 -0.778 1.00 0.00 H new ATOM 0 HA TYR A 45 5.331 -3.453 1.871 1.00 0.00 H new ATOM 0 HB2 TYR A 45 3.355 -2.357 2.644 1.00 0.00 H new ATOM 0 HB3 TYR A 45 3.956 -1.227 1.446 1.00 0.00 H new ATOM 0 HD1 TYR A 45 1.604 -4.118 1.788 1.00 0.00 H new ATOM 0 HD2 TYR A 45 2.536 -0.503 -0.266 1.00 0.00 H new ATOM 0 HE1 TYR A 45 -0.602 -4.243 0.553 1.00 0.00 H new ATOM 0 HE2 TYR A 45 0.326 -0.641 -1.494 1.00 0.00 H new ATOM 0 HH TYR A 45 -1.494 -1.750 -1.782 1.00 0.00 H new ATOM 572 N ALA A 46 3.579 -4.807 -0.444 1.00 0.00 N ATOM 573 CA ALA A 46 2.903 -6.023 -0.862 1.00 0.00 C ATOM 574 C ALA A 46 3.189 -6.279 -2.342 1.00 0.00 C ATOM 575 O ALA A 46 3.816 -5.456 -3.008 1.00 0.00 O ATOM 576 CB ALA A 46 1.405 -5.901 -0.569 1.00 0.00 C ATOM 0 H ALA A 46 3.814 -4.167 -1.203 1.00 0.00 H new ATOM 0 HA ALA A 46 3.276 -6.881 -0.302 1.00 0.00 H new ATOM 0 HB1 ALA A 46 0.897 -6.813 -0.883 1.00 0.00 H new ATOM 0 HB2 ALA A 46 1.254 -5.751 0.500 1.00 0.00 H new ATOM 0 HB3 ALA A 46 0.995 -5.052 -1.116 1.00 0.00 H new ATOM 582 N GLU A 47 2.715 -7.422 -2.815 1.00 0.00 N ATOM 583 CA GLU A 47 2.912 -7.795 -4.206 1.00 0.00 C ATOM 584 C GLU A 47 1.639 -8.426 -4.772 1.00 0.00 C ATOM 585 O GLU A 47 0.637 -8.549 -4.068 1.00 0.00 O ATOM 586 CB GLU A 47 4.106 -8.742 -4.355 1.00 0.00 C ATOM 587 CG GLU A 47 5.311 -8.234 -3.561 1.00 0.00 C ATOM 588 CD GLU A 47 6.423 -9.285 -3.519 1.00 0.00 C ATOM 589 OE1 GLU A 47 6.070 -10.484 -3.530 1.00 0.00 O ATOM 590 OE2 GLU A 47 7.599 -8.865 -3.478 1.00 0.00 O ATOM 0 H GLU A 47 2.195 -8.102 -2.260 1.00 0.00 H new ATOM 0 HA GLU A 47 3.131 -6.892 -4.777 1.00 0.00 H new ATOM 0 HB2 GLU A 47 3.831 -9.738 -4.007 1.00 0.00 H new ATOM 0 HB3 GLU A 47 4.372 -8.834 -5.408 1.00 0.00 H new ATOM 0 HG2 GLU A 47 5.689 -7.317 -4.014 1.00 0.00 H new ATOM 0 HG3 GLU A 47 5.003 -7.985 -2.546 1.00 0.00 H new ATOM 595 N MET A 48 1.718 -8.809 -6.037 1.00 0.00 N ATOM 596 CA MET A 48 0.584 -9.423 -6.706 1.00 0.00 C ATOM 597 C MET A 48 1.043 -10.276 -7.891 1.00 0.00 C ATOM 598 O MET A 48 2.197 -10.197 -8.308 1.00 0.00 O ATOM 599 CB MET A 48 -0.369 -8.334 -7.200 1.00 0.00 C ATOM 600 CG MET A 48 0.308 -7.445 -8.245 1.00 0.00 C ATOM 601 SD MET A 48 -0.591 -5.912 -8.418 1.00 0.00 S ATOM 602 CE MET A 48 -2.194 -6.544 -8.886 1.00 0.00 C ATOM 0 H MET A 48 2.551 -8.706 -6.617 1.00 0.00 H new ATOM 0 HA MET A 48 0.072 -10.069 -5.993 1.00 0.00 H new ATOM 0 HB2 MET A 48 -1.259 -8.793 -7.630 1.00 0.00 H new ATOM 0 HB3 MET A 48 -0.699 -7.725 -6.358 1.00 0.00 H new ATOM 0 HG2 MET A 48 1.337 -7.241 -7.949 1.00 0.00 H new ATOM 0 HG3 MET A 48 0.348 -7.963 -9.203 1.00 0.00 H new ATOM 0 HE1 MET A 48 -2.837 -5.717 -9.189 1.00 0.00 H new ATOM 0 HE2 MET A 48 -2.082 -7.240 -9.717 1.00 0.00 H new ATOM 0 HE3 MET A 48 -2.643 -7.060 -8.038 1.00 0.00 H new ATOM 610 N GLU A 49 0.114 -11.072 -8.400 1.00 0.00 N ATOM 611 CA GLU A 49 0.408 -11.939 -9.528 1.00 0.00 C ATOM 612 C GLU A 49 -0.645 -11.760 -10.624 1.00 0.00 C ATOM 613 O GLU A 49 -1.734 -12.324 -10.542 1.00 0.00 O ATOM 614 CB GLU A 49 0.496 -13.402 -9.088 1.00 0.00 C ATOM 615 CG GLU A 49 0.607 -14.333 -10.297 1.00 0.00 C ATOM 616 CD GLU A 49 0.902 -15.769 -9.858 1.00 0.00 C ATOM 617 OE1 GLU A 49 0.288 -16.194 -8.856 1.00 0.00 O ATOM 618 OE2 GLU A 49 1.736 -16.409 -10.535 1.00 0.00 O ATOM 0 H GLU A 49 -0.843 -11.135 -8.052 1.00 0.00 H new ATOM 0 HA GLU A 49 1.379 -11.656 -9.934 1.00 0.00 H new ATOM 0 HB2 GLU A 49 1.361 -13.539 -8.439 1.00 0.00 H new ATOM 0 HB3 GLU A 49 -0.386 -13.663 -8.503 1.00 0.00 H new ATOM 0 HG2 GLU A 49 -0.322 -14.307 -10.867 1.00 0.00 H new ATOM 0 HG3 GLU A 49 1.398 -13.982 -10.960 1.00 0.00 H new ATOM 623 N VAL A 50 -0.282 -10.972 -11.625 1.00 0.00 N ATOM 624 CA VAL A 50 -1.182 -10.710 -12.736 1.00 0.00 C ATOM 625 C VAL A 50 -0.487 -11.084 -14.048 1.00 0.00 C ATOM 626 O VAL A 50 0.701 -10.822 -14.222 1.00 0.00 O ATOM 627 CB VAL A 50 -1.648 -9.254 -12.701 1.00 0.00 C ATOM 628 CG1 VAL A 50 -0.456 -8.299 -12.610 1.00 0.00 C ATOM 629 CG2 VAL A 50 -2.521 -8.928 -13.914 1.00 0.00 C ATOM 0 H VAL A 50 0.623 -10.506 -11.690 1.00 0.00 H new ATOM 0 HA VAL A 50 -2.078 -11.325 -12.655 1.00 0.00 H new ATOM 0 HB VAL A 50 -2.255 -9.118 -11.806 1.00 0.00 H new ATOM 0 HG11 VAL A 50 -0.815 -7.270 -12.587 1.00 0.00 H new ATOM 0 HG12 VAL A 50 0.108 -8.507 -11.701 1.00 0.00 H new ATOM 0 HG13 VAL A 50 0.189 -8.439 -13.477 1.00 0.00 H new ATOM 0 HG21 VAL A 50 -2.839 -7.887 -13.864 1.00 0.00 H new ATOM 0 HG22 VAL A 50 -1.949 -9.090 -14.828 1.00 0.00 H new ATOM 0 HG23 VAL A 50 -3.398 -9.575 -13.916 1.00 0.00 H new ATOM 639 N MET A 51 -1.260 -11.691 -14.937 1.00 0.00 N ATOM 640 CA MET A 51 -0.735 -12.103 -16.227 1.00 0.00 C ATOM 641 C MET A 51 0.396 -13.122 -16.059 1.00 0.00 C ATOM 642 O MET A 51 1.299 -13.195 -16.891 1.00 0.00 O ATOM 643 CB MET A 51 -0.210 -10.879 -16.980 1.00 0.00 C ATOM 644 CG MET A 51 -1.324 -10.219 -17.796 1.00 0.00 C ATOM 645 SD MET A 51 -0.887 -10.209 -19.527 1.00 0.00 S ATOM 646 CE MET A 51 -0.624 -8.461 -19.771 1.00 0.00 C ATOM 0 H MET A 51 -2.246 -11.907 -14.789 1.00 0.00 H new ATOM 0 HA MET A 51 -1.541 -12.571 -16.793 1.00 0.00 H new ATOM 0 HB2 MET A 51 0.202 -10.160 -16.271 1.00 0.00 H new ATOM 0 HB3 MET A 51 0.604 -11.176 -17.642 1.00 0.00 H new ATOM 0 HG2 MET A 51 -2.260 -10.758 -17.652 1.00 0.00 H new ATOM 0 HG3 MET A 51 -1.486 -9.199 -17.447 1.00 0.00 H new ATOM 0 HE1 MET A 51 -0.342 -8.277 -20.808 1.00 0.00 H new ATOM 0 HE2 MET A 51 -1.542 -7.920 -19.543 1.00 0.00 H new ATOM 0 HE3 MET A 51 0.173 -8.117 -19.111 1.00 0.00 H new ATOM 654 N LYS A 52 0.308 -13.882 -14.977 1.00 0.00 N ATOM 655 CA LYS A 52 1.310 -14.892 -14.689 1.00 0.00 C ATOM 656 C LYS A 52 2.620 -14.207 -14.292 1.00 0.00 C ATOM 657 O LYS A 52 3.654 -14.860 -14.171 1.00 0.00 O ATOM 658 CB LYS A 52 1.455 -15.856 -15.869 1.00 0.00 C ATOM 659 CG LYS A 52 0.987 -17.263 -15.489 1.00 0.00 C ATOM 660 CD LYS A 52 1.799 -18.328 -16.229 1.00 0.00 C ATOM 661 CE LYS A 52 1.061 -19.669 -16.239 1.00 0.00 C ATOM 662 NZ LYS A 52 1.722 -20.617 -17.163 1.00 0.00 N ATOM 0 H LYS A 52 -0.443 -13.818 -14.289 1.00 0.00 H new ATOM 0 HA LYS A 52 1.000 -15.504 -13.842 1.00 0.00 H new ATOM 0 HB2 LYS A 52 0.872 -15.491 -16.715 1.00 0.00 H new ATOM 0 HB3 LYS A 52 2.496 -15.890 -16.190 1.00 0.00 H new ATOM 0 HG2 LYS A 52 1.088 -17.406 -14.413 1.00 0.00 H new ATOM 0 HG3 LYS A 52 -0.071 -17.375 -15.728 1.00 0.00 H new ATOM 0 HD2 LYS A 52 1.985 -18.003 -17.253 1.00 0.00 H new ATOM 0 HD3 LYS A 52 2.771 -18.447 -15.751 1.00 0.00 H new ATOM 0 HE2 LYS A 52 1.041 -20.087 -15.233 1.00 0.00 H new ATOM 0 HE3 LYS A 52 0.025 -19.519 -16.543 1.00 0.00 H new ATOM 0 HZ1 LYS A 52 1.209 -21.522 -17.158 1.00 0.00 H new ATOM 0 HZ2 LYS A 52 1.719 -20.223 -18.125 1.00 0.00 H new ATOM 0 HZ3 LYS A 52 2.703 -20.774 -16.856 1.00 0.00 H new ATOM 672 N MET A 53 2.531 -12.899 -14.100 1.00 0.00 N ATOM 673 CA MET A 53 3.696 -12.118 -13.719 1.00 0.00 C ATOM 674 C MET A 53 3.518 -11.515 -12.324 1.00 0.00 C ATOM 675 O MET A 53 2.468 -10.955 -12.014 1.00 0.00 O ATOM 676 CB MET A 53 3.914 -10.996 -14.736 1.00 0.00 C ATOM 677 CG MET A 53 3.771 -11.518 -16.167 1.00 0.00 C ATOM 678 SD MET A 53 4.761 -10.534 -17.278 1.00 0.00 S ATOM 679 CE MET A 53 4.446 -11.386 -18.814 1.00 0.00 C ATOM 0 H MET A 53 1.671 -12.360 -14.201 1.00 0.00 H new ATOM 0 HA MET A 53 4.563 -12.778 -13.702 1.00 0.00 H new ATOM 0 HB2 MET A 53 3.192 -10.198 -14.562 1.00 0.00 H new ATOM 0 HB3 MET A 53 4.906 -10.564 -14.600 1.00 0.00 H new ATOM 0 HG2 MET A 53 4.084 -12.561 -16.215 1.00 0.00 H new ATOM 0 HG3 MET A 53 2.725 -11.484 -16.472 1.00 0.00 H new ATOM 0 HE1 MET A 53 4.993 -10.897 -19.620 1.00 0.00 H new ATOM 0 HE2 MET A 53 4.774 -12.422 -18.729 1.00 0.00 H new ATOM 0 HE3 MET A 53 3.378 -11.360 -19.032 1.00 0.00 H new ATOM 687 N ILE A 54 4.561 -11.650 -11.519 1.00 0.00 N ATOM 688 CA ILE A 54 4.535 -11.127 -10.164 1.00 0.00 C ATOM 689 C ILE A 54 4.904 -9.641 -10.189 1.00 0.00 C ATOM 690 O ILE A 54 5.971 -9.272 -10.675 1.00 0.00 O ATOM 691 CB ILE A 54 5.425 -11.966 -9.246 1.00 0.00 C ATOM 692 CG1 ILE A 54 5.124 -13.458 -9.404 1.00 0.00 C ATOM 693 CG2 ILE A 54 5.302 -11.507 -7.792 1.00 0.00 C ATOM 694 CD1 ILE A 54 3.698 -13.780 -8.951 1.00 0.00 C ATOM 0 H ILE A 54 5.431 -12.115 -11.780 1.00 0.00 H new ATOM 0 HA ILE A 54 3.531 -11.201 -9.747 1.00 0.00 H new ATOM 0 HB ILE A 54 6.462 -11.813 -9.544 1.00 0.00 H new ATOM 0 HG12 ILE A 54 5.253 -13.751 -10.446 1.00 0.00 H new ATOM 0 HG13 ILE A 54 5.836 -14.040 -8.819 1.00 0.00 H new ATOM 0 HG21 ILE A 54 5.945 -12.120 -7.161 1.00 0.00 H new ATOM 0 HG22 ILE A 54 5.605 -10.463 -7.713 1.00 0.00 H new ATOM 0 HG23 ILE A 54 4.268 -11.610 -7.464 1.00 0.00 H new ATOM 0 HD11 ILE A 54 3.509 -14.847 -9.073 1.00 0.00 H new ATOM 0 HD12 ILE A 54 3.579 -13.509 -7.902 1.00 0.00 H new ATOM 0 HD13 ILE A 54 2.988 -13.214 -9.554 1.00 0.00 H new ATOM 705 N MET A 55 3.999 -8.831 -9.659 1.00 0.00 N ATOM 706 CA MET A 55 4.217 -7.395 -9.614 1.00 0.00 C ATOM 707 C MET A 55 4.235 -6.887 -8.171 1.00 0.00 C ATOM 708 O MET A 55 3.449 -7.340 -7.340 1.00 0.00 O ATOM 709 CB MET A 55 3.106 -6.686 -10.390 1.00 0.00 C ATOM 710 CG MET A 55 3.302 -5.168 -10.367 1.00 0.00 C ATOM 711 SD MET A 55 4.226 -4.650 -11.803 1.00 0.00 S ATOM 712 CE MET A 55 4.475 -2.928 -11.406 1.00 0.00 C ATOM 0 H MET A 55 3.114 -9.141 -9.258 1.00 0.00 H new ATOM 0 HA MET A 55 5.185 -7.179 -10.067 1.00 0.00 H new ATOM 0 HB2 MET A 55 3.096 -7.039 -11.421 1.00 0.00 H new ATOM 0 HB3 MET A 55 2.138 -6.938 -9.957 1.00 0.00 H new ATOM 0 HG2 MET A 55 2.333 -4.668 -10.348 1.00 0.00 H new ATOM 0 HG3 MET A 55 3.830 -4.875 -9.460 1.00 0.00 H new ATOM 0 HE1 MET A 55 5.041 -2.449 -12.205 1.00 0.00 H new ATOM 0 HE2 MET A 55 3.508 -2.436 -11.300 1.00 0.00 H new ATOM 0 HE3 MET A 55 5.028 -2.847 -10.470 1.00 0.00 H new ATOM 720 N THR A 56 5.142 -5.956 -7.916 1.00 0.00 N ATOM 721 CA THR A 56 5.273 -5.382 -6.588 1.00 0.00 C ATOM 722 C THR A 56 4.268 -4.246 -6.396 1.00 0.00 C ATOM 723 O THR A 56 3.894 -3.573 -7.355 1.00 0.00 O ATOM 724 CB THR A 56 6.727 -4.943 -6.404 1.00 0.00 C ATOM 725 OG1 THR A 56 7.470 -5.857 -7.208 1.00 0.00 O ATOM 726 CG2 THR A 56 7.239 -5.196 -4.984 1.00 0.00 C ATOM 0 H THR A 56 5.794 -5.585 -8.607 1.00 0.00 H new ATOM 0 HA THR A 56 5.039 -6.115 -5.816 1.00 0.00 H new ATOM 0 HB THR A 56 6.819 -3.883 -6.640 1.00 0.00 H new ATOM 0 HG1 THR A 56 8.425 -5.644 -7.149 1.00 0.00 H new ATOM 0 HG21 THR A 56 8.275 -4.867 -4.907 1.00 0.00 H new ATOM 0 HG22 THR A 56 6.628 -4.641 -4.273 1.00 0.00 H new ATOM 0 HG23 THR A 56 7.179 -6.261 -4.760 1.00 0.00 H new ATOM 734 N LEU A 57 3.856 -4.066 -5.149 1.00 0.00 N ATOM 735 CA LEU A 57 2.900 -3.023 -4.819 1.00 0.00 C ATOM 736 C LEU A 57 3.579 -1.978 -3.931 1.00 0.00 C ATOM 737 O LEU A 57 3.860 -2.239 -2.762 1.00 0.00 O ATOM 738 CB LEU A 57 1.638 -3.628 -4.201 1.00 0.00 C ATOM 739 CG LEU A 57 0.564 -4.092 -5.187 1.00 0.00 C ATOM 740 CD1 LEU A 57 -0.354 -5.134 -4.548 1.00 0.00 C ATOM 741 CD2 LEU A 57 -0.219 -2.901 -5.744 1.00 0.00 C ATOM 0 H LEU A 57 4.167 -4.626 -4.355 1.00 0.00 H new ATOM 0 HA LEU A 57 2.570 -2.510 -5.722 1.00 0.00 H new ATOM 0 HB2 LEU A 57 1.931 -4.479 -3.586 1.00 0.00 H new ATOM 0 HB3 LEU A 57 1.195 -2.890 -3.533 1.00 0.00 H new ATOM 0 HG LEU A 57 1.059 -4.575 -6.030 1.00 0.00 H new ATOM 0 HD11 LEU A 57 -1.108 -5.447 -5.270 1.00 0.00 H new ATOM 0 HD12 LEU A 57 0.235 -5.998 -4.241 1.00 0.00 H new ATOM 0 HD13 LEU A 57 -0.844 -4.701 -3.676 1.00 0.00 H new ATOM 0 HD21 LEU A 57 -0.976 -3.258 -6.442 1.00 0.00 H new ATOM 0 HD22 LEU A 57 -0.703 -2.369 -4.925 1.00 0.00 H new ATOM 0 HD23 LEU A 57 0.463 -2.227 -6.262 1.00 0.00 H new ATOM 752 N ASN A 58 3.823 -0.817 -4.520 1.00 0.00 N ATOM 753 CA ASN A 58 4.464 0.270 -3.797 1.00 0.00 C ATOM 754 C ASN A 58 3.403 1.279 -3.356 1.00 0.00 C ATOM 755 O ASN A 58 2.251 1.200 -3.782 1.00 0.00 O ATOM 756 CB ASN A 58 5.473 1.001 -4.684 1.00 0.00 C ATOM 757 CG ASN A 58 6.522 0.033 -5.234 1.00 0.00 C ATOM 758 OD1 ASN A 58 7.629 -0.074 -4.733 1.00 0.00 O ATOM 759 ND2 ASN A 58 6.115 -0.662 -6.292 1.00 0.00 N ATOM 0 H ASN A 58 3.589 -0.604 -5.490 1.00 0.00 H new ATOM 0 HA ASN A 58 4.982 -0.156 -2.937 1.00 0.00 H new ATOM 0 HB2 ASN A 58 4.952 1.486 -5.510 1.00 0.00 H new ATOM 0 HB3 ASN A 58 5.964 1.787 -4.111 1.00 0.00 H new ATOM 0 HD21 ASN A 58 6.743 -1.333 -6.734 1.00 0.00 H new ATOM 0 HD22 ASN A 58 5.174 -0.524 -6.662 1.00 0.00 H new ATOM 765 N VAL A 59 3.828 2.204 -2.508 1.00 0.00 N ATOM 766 CA VAL A 59 2.928 3.228 -2.004 1.00 0.00 C ATOM 767 C VAL A 59 3.198 4.543 -2.739 1.00 0.00 C ATOM 768 O VAL A 59 4.338 4.839 -3.092 1.00 0.00 O ATOM 769 CB VAL A 59 3.072 3.351 -0.486 1.00 0.00 C ATOM 770 CG1 VAL A 59 2.747 2.024 0.205 1.00 0.00 C ATOM 771 CG2 VAL A 59 4.472 3.838 -0.106 1.00 0.00 C ATOM 0 H VAL A 59 4.784 2.266 -2.157 1.00 0.00 H new ATOM 0 HA VAL A 59 1.891 2.954 -2.197 1.00 0.00 H new ATOM 0 HB VAL A 59 2.353 4.094 -0.140 1.00 0.00 H new ATOM 0 HG11 VAL A 59 2.857 2.139 1.283 1.00 0.00 H new ATOM 0 HG12 VAL A 59 1.722 1.735 -0.026 1.00 0.00 H new ATOM 0 HG13 VAL A 59 3.430 1.252 -0.149 1.00 0.00 H new ATOM 0 HG21 VAL A 59 4.548 3.917 0.978 1.00 0.00 H new ATOM 0 HG22 VAL A 59 5.215 3.129 -0.471 1.00 0.00 H new ATOM 0 HG23 VAL A 59 4.651 4.815 -0.554 1.00 0.00 H new ATOM 781 N GLN A 60 2.127 5.297 -2.947 1.00 0.00 N ATOM 782 CA GLN A 60 2.234 6.574 -3.633 1.00 0.00 C ATOM 783 C GLN A 60 2.818 7.632 -2.696 1.00 0.00 C ATOM 784 O GLN A 60 3.375 8.630 -3.152 1.00 0.00 O ATOM 785 CB GLN A 60 0.876 7.016 -4.182 1.00 0.00 C ATOM 786 CG GLN A 60 0.812 6.831 -5.700 1.00 0.00 C ATOM 787 CD GLN A 60 -0.637 6.857 -6.194 1.00 0.00 C ATOM 788 OE1 GLN A 60 -1.246 5.834 -6.462 1.00 0.00 O ATOM 789 NE2 GLN A 60 -1.150 8.079 -6.299 1.00 0.00 N ATOM 0 H GLN A 60 1.183 5.048 -2.653 1.00 0.00 H new ATOM 0 HA GLN A 60 2.910 6.455 -4.480 1.00 0.00 H new ATOM 0 HB2 GLN A 60 0.083 6.438 -3.708 1.00 0.00 H new ATOM 0 HB3 GLN A 60 0.702 8.062 -3.932 1.00 0.00 H new ATOM 0 HG2 GLN A 60 1.382 7.620 -6.191 1.00 0.00 H new ATOM 0 HG3 GLN A 60 1.277 5.884 -5.975 1.00 0.00 H new ATOM 0 HE21 GLN A 60 -0.584 8.892 -6.058 1.00 0.00 H new ATOM 0 HE22 GLN A 60 -2.110 8.203 -6.621 1.00 0.00 H new ATOM 796 N GLU A 61 2.671 7.378 -1.404 1.00 0.00 N ATOM 797 CA GLU A 61 3.177 8.298 -0.399 1.00 0.00 C ATOM 798 C GLU A 61 3.502 7.546 0.893 1.00 0.00 C ATOM 799 O GLU A 61 2.728 6.696 1.332 1.00 0.00 O ATOM 800 CB GLU A 61 2.181 9.429 -0.140 1.00 0.00 C ATOM 801 CG GLU A 61 1.944 10.253 -1.407 1.00 0.00 C ATOM 802 CD GLU A 61 1.300 11.600 -1.074 1.00 0.00 C ATOM 803 OE1 GLU A 61 0.350 11.589 -0.259 1.00 0.00 O ATOM 804 OE2 GLU A 61 1.770 12.610 -1.639 1.00 0.00 O ATOM 0 H GLU A 61 2.209 6.549 -1.030 1.00 0.00 H new ATOM 0 HA GLU A 61 4.096 8.747 -0.775 1.00 0.00 H new ATOM 0 HB2 GLU A 61 1.236 9.013 0.209 1.00 0.00 H new ATOM 0 HB3 GLU A 61 2.557 10.075 0.653 1.00 0.00 H new ATOM 0 HG2 GLU A 61 2.891 10.416 -1.921 1.00 0.00 H new ATOM 0 HG3 GLU A 61 1.302 9.698 -2.091 1.00 0.00 H new ATOM 809 N ARG A 62 4.647 7.884 1.467 1.00 0.00 N ATOM 810 CA ARG A 62 5.082 7.252 2.700 1.00 0.00 C ATOM 811 C ARG A 62 3.886 6.999 3.618 1.00 0.00 C ATOM 812 O ARG A 62 2.855 7.659 3.497 1.00 0.00 O ATOM 813 CB ARG A 62 6.105 8.122 3.434 1.00 0.00 C ATOM 814 CG ARG A 62 7.273 8.487 2.516 1.00 0.00 C ATOM 815 CD ARG A 62 7.545 9.993 2.548 1.00 0.00 C ATOM 816 NE ARG A 62 8.921 10.248 3.031 1.00 0.00 N ATOM 817 CZ ARG A 62 9.359 11.441 3.455 1.00 0.00 C ATOM 818 NH1 ARG A 62 8.533 12.496 3.457 1.00 0.00 N ATOM 819 NH2 ARG A 62 10.624 11.580 3.876 1.00 0.00 N ATOM 0 H ARG A 62 5.287 8.588 1.100 1.00 0.00 H new ATOM 0 HA ARG A 62 5.550 6.303 2.438 1.00 0.00 H new ATOM 0 HB2 ARG A 62 5.623 9.031 3.794 1.00 0.00 H new ATOM 0 HB3 ARG A 62 6.478 7.591 4.310 1.00 0.00 H new ATOM 0 HG2 ARG A 62 8.167 7.946 2.826 1.00 0.00 H new ATOM 0 HG3 ARG A 62 7.049 8.176 1.496 1.00 0.00 H new ATOM 0 HD2 ARG A 62 7.416 10.416 1.552 1.00 0.00 H new ATOM 0 HD3 ARG A 62 6.824 10.487 3.199 1.00 0.00 H new ATOM 0 HE ARG A 62 9.577 9.467 3.042 1.00 0.00 H new ATOM 0 HH11 ARG A 62 7.571 12.391 3.136 1.00 0.00 H new ATOM 0 HH12 ARG A 62 8.867 13.404 3.780 1.00 0.00 H new ATOM 0 HH21 ARG A 62 11.253 10.777 3.874 1.00 0.00 H new ATOM 0 HH22 ARG A 62 10.957 12.488 4.199 1.00 0.00 H new ATOM 830 N GLY A 63 4.062 6.042 4.517 1.00 0.00 N ATOM 831 CA GLY A 63 3.010 5.694 5.456 1.00 0.00 C ATOM 832 C GLY A 63 3.102 4.221 5.863 1.00 0.00 C ATOM 833 O GLY A 63 3.784 3.434 5.208 1.00 0.00 O ATOM 0 H GLY A 63 4.918 5.496 4.615 1.00 0.00 H new ATOM 0 HA2 GLY A 63 3.085 6.325 6.342 1.00 0.00 H new ATOM 0 HA3 GLY A 63 2.037 5.890 5.006 1.00 0.00 H new ATOM 837 N ARG A 64 2.407 3.893 6.942 1.00 0.00 N ATOM 838 CA ARG A 64 2.402 2.530 7.443 1.00 0.00 C ATOM 839 C ARG A 64 1.347 1.699 6.711 1.00 0.00 C ATOM 840 O ARG A 64 0.225 2.158 6.501 1.00 0.00 O ATOM 841 CB ARG A 64 2.115 2.496 8.946 1.00 0.00 C ATOM 842 CG ARG A 64 3.200 1.721 9.695 1.00 0.00 C ATOM 843 CD ARG A 64 2.993 1.810 11.208 1.00 0.00 C ATOM 844 NE ARG A 64 1.843 0.972 11.612 1.00 0.00 N ATOM 845 CZ ARG A 64 1.497 0.734 12.885 1.00 0.00 C ATOM 846 NH1 ARG A 64 2.211 1.269 13.884 1.00 0.00 N ATOM 847 NH2 ARG A 64 0.437 -0.039 13.157 1.00 0.00 N ATOM 0 H ARG A 64 1.843 4.548 7.483 1.00 0.00 H new ATOM 0 HA ARG A 64 3.391 2.108 7.264 1.00 0.00 H new ATOM 0 HB2 ARG A 64 2.058 3.514 9.332 1.00 0.00 H new ATOM 0 HB3 ARG A 64 1.144 2.033 9.124 1.00 0.00 H new ATOM 0 HG2 ARG A 64 3.186 0.677 9.383 1.00 0.00 H new ATOM 0 HG3 ARG A 64 4.181 2.118 9.435 1.00 0.00 H new ATOM 0 HD2 ARG A 64 3.893 1.480 11.726 1.00 0.00 H new ATOM 0 HD3 ARG A 64 2.819 2.846 11.499 1.00 0.00 H new ATOM 0 HE ARG A 64 1.278 0.549 10.876 1.00 0.00 H new ATOM 0 HH11 ARG A 64 3.018 1.857 13.676 1.00 0.00 H new ATOM 0 HH12 ARG A 64 1.948 1.088 14.853 1.00 0.00 H new ATOM 0 HH21 ARG A 64 -0.106 -0.446 12.396 1.00 0.00 H new ATOM 0 HH22 ARG A 64 0.173 -0.220 14.125 1.00 0.00 H new ATOM 858 N VAL A 65 1.744 0.489 6.342 1.00 0.00 N ATOM 859 CA VAL A 65 0.846 -0.411 5.638 1.00 0.00 C ATOM 860 C VAL A 65 0.071 -1.251 6.655 1.00 0.00 C ATOM 861 O VAL A 65 0.633 -1.698 7.654 1.00 0.00 O ATOM 862 CB VAL A 65 1.634 -1.259 4.638 1.00 0.00 C ATOM 863 CG1 VAL A 65 0.760 -2.371 4.054 1.00 0.00 C ATOM 864 CG2 VAL A 65 2.229 -0.389 3.530 1.00 0.00 C ATOM 0 H VAL A 65 2.675 0.111 6.517 1.00 0.00 H new ATOM 0 HA VAL A 65 0.115 0.154 5.060 1.00 0.00 H new ATOM 0 HB VAL A 65 2.459 -1.728 5.174 1.00 0.00 H new ATOM 0 HG11 VAL A 65 1.344 -2.959 3.346 1.00 0.00 H new ATOM 0 HG12 VAL A 65 0.407 -3.017 4.858 1.00 0.00 H new ATOM 0 HG13 VAL A 65 -0.095 -1.930 3.541 1.00 0.00 H new ATOM 0 HG21 VAL A 65 2.784 -1.017 2.833 1.00 0.00 H new ATOM 0 HG22 VAL A 65 1.426 0.122 2.998 1.00 0.00 H new ATOM 0 HG23 VAL A 65 2.901 0.349 3.968 1.00 0.00 H new ATOM 874 N LYS A 66 -1.208 -1.442 6.366 1.00 0.00 N ATOM 875 CA LYS A 66 -2.066 -2.219 7.243 1.00 0.00 C ATOM 876 C LYS A 66 -2.771 -3.305 6.427 1.00 0.00 C ATOM 877 O LYS A 66 -2.845 -3.217 5.202 1.00 0.00 O ATOM 878 CB LYS A 66 -3.026 -1.303 8.005 1.00 0.00 C ATOM 879 CG LYS A 66 -3.575 -2.000 9.251 1.00 0.00 C ATOM 880 CD LYS A 66 -3.732 -1.011 10.408 1.00 0.00 C ATOM 881 CE LYS A 66 -4.770 -1.508 11.416 1.00 0.00 C ATOM 882 NZ LYS A 66 -5.270 -0.385 12.241 1.00 0.00 N ATOM 0 H LYS A 66 -1.671 -1.071 5.536 1.00 0.00 H new ATOM 0 HA LYS A 66 -1.473 -2.725 8.005 1.00 0.00 H new ATOM 0 HB2 LYS A 66 -2.509 -0.388 8.294 1.00 0.00 H new ATOM 0 HB3 LYS A 66 -3.850 -1.012 7.354 1.00 0.00 H new ATOM 0 HG2 LYS A 66 -4.539 -2.454 9.023 1.00 0.00 H new ATOM 0 HG3 LYS A 66 -2.904 -2.807 9.546 1.00 0.00 H new ATOM 0 HD2 LYS A 66 -2.772 -0.873 10.906 1.00 0.00 H new ATOM 0 HD3 LYS A 66 -4.033 -0.037 10.021 1.00 0.00 H new ATOM 0 HE2 LYS A 66 -5.601 -1.978 10.890 1.00 0.00 H new ATOM 0 HE3 LYS A 66 -4.327 -2.270 12.058 1.00 0.00 H new ATOM 0 HZ1 LYS A 66 -5.974 -0.739 12.920 1.00 0.00 H new ATOM 0 HZ2 LYS A 66 -4.477 0.046 12.758 1.00 0.00 H new ATOM 0 HZ3 LYS A 66 -5.711 0.328 11.626 1.00 0.00 H new ATOM 892 N TYR A 67 -3.270 -4.305 7.139 1.00 0.00 N ATOM 893 CA TYR A 67 -3.965 -5.407 6.497 1.00 0.00 C ATOM 894 C TYR A 67 -5.468 -5.130 6.409 1.00 0.00 C ATOM 895 O TYR A 67 -6.105 -4.823 7.415 1.00 0.00 O ATOM 896 CB TYR A 67 -3.735 -6.629 7.390 1.00 0.00 C ATOM 897 CG TYR A 67 -4.925 -7.589 7.449 1.00 0.00 C ATOM 898 CD1 TYR A 67 -5.356 -8.226 6.302 1.00 0.00 C ATOM 899 CD2 TYR A 67 -5.567 -7.817 8.648 1.00 0.00 C ATOM 900 CE1 TYR A 67 -6.475 -9.129 6.358 1.00 0.00 C ATOM 901 CE2 TYR A 67 -6.688 -8.722 8.704 1.00 0.00 C ATOM 902 CZ TYR A 67 -7.085 -9.333 7.556 1.00 0.00 C ATOM 903 OH TYR A 67 -8.143 -10.186 7.610 1.00 0.00 O ATOM 0 H TYR A 67 -3.207 -4.375 8.155 1.00 0.00 H new ATOM 0 HA TYR A 67 -3.595 -5.555 5.483 1.00 0.00 H new ATOM 0 HB2 TYR A 67 -2.861 -7.171 7.028 1.00 0.00 H new ATOM 0 HB3 TYR A 67 -3.504 -6.290 8.400 1.00 0.00 H new ATOM 0 HD1 TYR A 67 -4.853 -8.046 5.363 1.00 0.00 H new ATOM 0 HD2 TYR A 67 -5.230 -7.318 9.545 1.00 0.00 H new ATOM 0 HE1 TYR A 67 -6.823 -9.633 5.468 1.00 0.00 H new ATOM 0 HE2 TYR A 67 -7.200 -8.910 9.636 1.00 0.00 H new ATOM 0 HH TYR A 67 -8.478 -10.234 8.530 1.00 0.00 H new ATOM 912 N ILE A 68 -5.989 -5.250 5.197 1.00 0.00 N ATOM 913 CA ILE A 68 -7.405 -5.017 4.965 1.00 0.00 C ATOM 914 C ILE A 68 -8.061 -6.317 4.495 1.00 0.00 C ATOM 915 O ILE A 68 -8.996 -6.807 5.126 1.00 0.00 O ATOM 916 CB ILE A 68 -7.603 -3.845 4.002 1.00 0.00 C ATOM 917 CG1 ILE A 68 -7.126 -2.533 4.629 1.00 0.00 C ATOM 918 CG2 ILE A 68 -9.057 -3.761 3.533 1.00 0.00 C ATOM 919 CD1 ILE A 68 -7.815 -2.286 5.973 1.00 0.00 C ATOM 0 H ILE A 68 -5.457 -5.505 4.365 1.00 0.00 H new ATOM 0 HA ILE A 68 -7.901 -4.726 5.891 1.00 0.00 H new ATOM 0 HB ILE A 68 -6.989 -4.021 3.119 1.00 0.00 H new ATOM 0 HG12 ILE A 68 -6.046 -2.565 4.770 1.00 0.00 H new ATOM 0 HG13 ILE A 68 -7.335 -1.705 3.952 1.00 0.00 H new ATOM 0 HG21 ILE A 68 -9.171 -2.920 2.850 1.00 0.00 H new ATOM 0 HG22 ILE A 68 -9.328 -4.684 3.020 1.00 0.00 H new ATOM 0 HG23 ILE A 68 -9.710 -3.619 4.395 1.00 0.00 H new ATOM 0 HD11 ILE A 68 -7.459 -1.347 6.398 1.00 0.00 H new ATOM 0 HD12 ILE A 68 -8.893 -2.231 5.824 1.00 0.00 H new ATOM 0 HD13 ILE A 68 -7.584 -3.104 6.656 1.00 0.00 H new ATOM 930 N LYS A 69 -7.545 -6.837 3.391 1.00 0.00 N ATOM 931 CA LYS A 69 -8.070 -8.071 2.830 1.00 0.00 C ATOM 932 C LYS A 69 -7.055 -9.195 3.044 1.00 0.00 C ATOM 933 O LYS A 69 -5.851 -8.987 2.899 1.00 0.00 O ATOM 934 CB LYS A 69 -8.463 -7.868 1.365 1.00 0.00 C ATOM 935 CG LYS A 69 -9.251 -6.570 1.183 1.00 0.00 C ATOM 936 CD LYS A 69 -10.705 -6.745 1.628 1.00 0.00 C ATOM 937 CE LYS A 69 -11.649 -6.761 0.424 1.00 0.00 C ATOM 938 NZ LYS A 69 -12.158 -8.130 0.183 1.00 0.00 N ATOM 0 H LYS A 69 -6.770 -6.427 2.870 1.00 0.00 H new ATOM 0 HA LYS A 69 -8.985 -8.365 3.344 1.00 0.00 H new ATOM 0 HB2 LYS A 69 -7.567 -7.844 0.745 1.00 0.00 H new ATOM 0 HB3 LYS A 69 -9.063 -8.712 1.025 1.00 0.00 H new ATOM 0 HG2 LYS A 69 -8.784 -5.772 1.760 1.00 0.00 H new ATOM 0 HG3 LYS A 69 -9.221 -6.266 0.137 1.00 0.00 H new ATOM 0 HD2 LYS A 69 -10.808 -7.674 2.188 1.00 0.00 H new ATOM 0 HD3 LYS A 69 -10.983 -5.934 2.302 1.00 0.00 H new ATOM 0 HE2 LYS A 69 -12.483 -6.082 0.600 1.00 0.00 H new ATOM 0 HE3 LYS A 69 -11.125 -6.400 -0.461 1.00 0.00 H new ATOM 0 HZ1 LYS A 69 -12.797 -8.123 -0.637 1.00 0.00 H new ATOM 0 HZ2 LYS A 69 -11.359 -8.769 -0.005 1.00 0.00 H new ATOM 0 HZ3 LYS A 69 -12.676 -8.461 1.022 1.00 0.00 H new ATOM 948 N ARG A 70 -7.578 -10.364 3.385 1.00 0.00 N ATOM 949 CA ARG A 70 -6.733 -11.522 3.621 1.00 0.00 C ATOM 950 C ARG A 70 -5.790 -11.740 2.437 1.00 0.00 C ATOM 951 O ARG A 70 -6.154 -11.480 1.291 1.00 0.00 O ATOM 952 CB ARG A 70 -7.574 -12.783 3.834 1.00 0.00 C ATOM 953 CG ARG A 70 -7.637 -13.155 5.316 1.00 0.00 C ATOM 954 CD ARG A 70 -7.092 -14.564 5.552 1.00 0.00 C ATOM 955 NE ARG A 70 -7.080 -14.868 7.000 1.00 0.00 N ATOM 956 CZ ARG A 70 -6.591 -15.998 7.527 1.00 0.00 C ATOM 957 NH1 ARG A 70 -6.069 -16.939 6.729 1.00 0.00 N ATOM 958 NH2 ARG A 70 -6.623 -16.187 8.854 1.00 0.00 N ATOM 0 H ARG A 70 -8.577 -10.534 3.503 1.00 0.00 H new ATOM 0 HA ARG A 70 -6.151 -11.331 4.523 1.00 0.00 H new ATOM 0 HB2 ARG A 70 -8.582 -12.621 3.453 1.00 0.00 H new ATOM 0 HB3 ARG A 70 -7.147 -13.609 3.266 1.00 0.00 H new ATOM 0 HG2 ARG A 70 -7.062 -12.436 5.900 1.00 0.00 H new ATOM 0 HG3 ARG A 70 -8.668 -13.097 5.666 1.00 0.00 H new ATOM 0 HD2 ARG A 70 -7.707 -15.293 5.024 1.00 0.00 H new ATOM 0 HD3 ARG A 70 -6.083 -14.645 5.147 1.00 0.00 H new ATOM 0 HE ARG A 70 -7.469 -14.173 7.637 1.00 0.00 H new ATOM 0 HH11 ARG A 70 -6.044 -16.795 5.720 1.00 0.00 H new ATOM 0 HH12 ARG A 70 -5.697 -17.799 7.131 1.00 0.00 H new ATOM 0 HH21 ARG A 70 -7.020 -15.470 9.462 1.00 0.00 H new ATOM 0 HH22 ARG A 70 -6.251 -17.047 9.256 1.00 0.00 H new ATOM 969 N PRO A 71 -4.563 -12.229 2.762 1.00 0.00 N ATOM 970 CA PRO A 71 -3.563 -12.486 1.738 1.00 0.00 C ATOM 971 C PRO A 71 -3.899 -13.754 0.951 1.00 0.00 C ATOM 972 O PRO A 71 -3.975 -14.841 1.522 1.00 0.00 O ATOM 973 CB PRO A 71 -2.246 -12.584 2.490 1.00 0.00 C ATOM 974 CG PRO A 71 -2.614 -12.842 3.942 1.00 0.00 C ATOM 975 CD PRO A 71 -4.096 -12.549 4.107 1.00 0.00 C ATOM 0 HA PRO A 71 -3.518 -11.698 0.986 1.00 0.00 H new ATOM 0 HB2 PRO A 71 -1.629 -13.391 2.094 1.00 0.00 H new ATOM 0 HB3 PRO A 71 -1.670 -11.664 2.391 1.00 0.00 H new ATOM 0 HG2 PRO A 71 -2.397 -13.875 4.213 1.00 0.00 H new ATOM 0 HG3 PRO A 71 -2.024 -12.208 4.604 1.00 0.00 H new ATOM 0 HD2 PRO A 71 -4.626 -13.409 4.516 1.00 0.00 H new ATOM 0 HD3 PRO A 71 -4.261 -11.717 4.792 1.00 0.00 H new ATOM 980 N GLY A 72 -4.090 -13.573 -0.347 1.00 0.00 N ATOM 981 CA GLY A 72 -4.415 -14.690 -1.219 1.00 0.00 C ATOM 982 C GLY A 72 -5.742 -14.452 -1.943 1.00 0.00 C ATOM 983 O GLY A 72 -6.193 -15.299 -2.712 1.00 0.00 O ATOM 0 H GLY A 72 -4.026 -12.670 -0.817 1.00 0.00 H new ATOM 0 HA2 GLY A 72 -3.618 -14.830 -1.949 1.00 0.00 H new ATOM 0 HA3 GLY A 72 -4.475 -15.607 -0.634 1.00 0.00 H new ATOM 987 N ALA A 73 -6.329 -13.296 -1.670 1.00 0.00 N ATOM 988 CA ALA A 73 -7.596 -12.937 -2.285 1.00 0.00 C ATOM 989 C ALA A 73 -7.372 -12.646 -3.771 1.00 0.00 C ATOM 990 O ALA A 73 -6.232 -12.576 -4.228 1.00 0.00 O ATOM 991 CB ALA A 73 -8.204 -11.745 -1.543 1.00 0.00 C ATOM 0 H ALA A 73 -5.951 -12.596 -1.032 1.00 0.00 H new ATOM 0 HA ALA A 73 -8.305 -13.762 -2.213 1.00 0.00 H new ATOM 0 HB1 ALA A 73 -9.154 -11.476 -2.004 1.00 0.00 H new ATOM 0 HB2 ALA A 73 -8.370 -12.012 -0.499 1.00 0.00 H new ATOM 0 HB3 ALA A 73 -7.522 -10.897 -1.596 1.00 0.00 H new ATOM 997 N VAL A 74 -8.477 -12.484 -4.483 1.00 0.00 N ATOM 998 CA VAL A 74 -8.416 -12.202 -5.907 1.00 0.00 C ATOM 999 C VAL A 74 -8.282 -10.693 -6.118 1.00 0.00 C ATOM 1000 O VAL A 74 -9.200 -9.935 -5.808 1.00 0.00 O ATOM 1001 CB VAL A 74 -9.636 -12.799 -6.611 1.00 0.00 C ATOM 1002 CG1 VAL A 74 -10.934 -12.214 -6.050 1.00 0.00 C ATOM 1003 CG2 VAL A 74 -9.551 -12.592 -8.125 1.00 0.00 C ATOM 0 H VAL A 74 -9.421 -12.543 -4.100 1.00 0.00 H new ATOM 0 HA VAL A 74 -7.539 -12.671 -6.353 1.00 0.00 H new ATOM 0 HB VAL A 74 -9.642 -13.872 -6.419 1.00 0.00 H new ATOM 0 HG11 VAL A 74 -11.786 -12.655 -6.568 1.00 0.00 H new ATOM 0 HG12 VAL A 74 -11.002 -12.435 -4.985 1.00 0.00 H new ATOM 0 HG13 VAL A 74 -10.940 -11.134 -6.197 1.00 0.00 H new ATOM 0 HG21 VAL A 74 -10.430 -13.026 -8.601 1.00 0.00 H new ATOM 0 HG22 VAL A 74 -9.508 -11.525 -8.345 1.00 0.00 H new ATOM 0 HG23 VAL A 74 -8.654 -13.078 -8.509 1.00 0.00 H new ATOM 1013 N LEU A 75 -7.132 -10.301 -6.645 1.00 0.00 N ATOM 1014 CA LEU A 75 -6.865 -8.895 -6.902 1.00 0.00 C ATOM 1015 C LEU A 75 -7.618 -8.461 -8.160 1.00 0.00 C ATOM 1016 O LEU A 75 -7.410 -9.020 -9.236 1.00 0.00 O ATOM 1017 CB LEU A 75 -5.359 -8.639 -6.966 1.00 0.00 C ATOM 1018 CG LEU A 75 -4.789 -7.716 -5.886 1.00 0.00 C ATOM 1019 CD1 LEU A 75 -4.944 -6.246 -6.284 1.00 0.00 C ATOM 1020 CD2 LEU A 75 -5.420 -8.011 -4.524 1.00 0.00 C ATOM 0 H LEU A 75 -6.373 -10.933 -6.902 1.00 0.00 H new ATOM 0 HA LEU A 75 -7.234 -8.280 -6.081 1.00 0.00 H new ATOM 0 HB2 LEU A 75 -4.845 -9.598 -6.905 1.00 0.00 H new ATOM 0 HB3 LEU A 75 -5.124 -8.213 -7.941 1.00 0.00 H new ATOM 0 HG LEU A 75 -3.721 -7.914 -5.795 1.00 0.00 H new ATOM 0 HD11 LEU A 75 -4.531 -5.611 -5.500 1.00 0.00 H new ATOM 0 HD12 LEU A 75 -4.411 -6.063 -7.217 1.00 0.00 H new ATOM 0 HD13 LEU A 75 -6.001 -6.015 -6.419 1.00 0.00 H new ATOM 0 HD21 LEU A 75 -4.998 -7.342 -3.775 1.00 0.00 H new ATOM 0 HD22 LEU A 75 -6.498 -7.858 -4.581 1.00 0.00 H new ATOM 0 HD23 LEU A 75 -5.215 -9.044 -4.244 1.00 0.00 H new ATOM 1031 N GLU A 76 -8.476 -7.466 -7.984 1.00 0.00 N ATOM 1032 CA GLU A 76 -9.260 -6.950 -9.093 1.00 0.00 C ATOM 1033 C GLU A 76 -8.975 -5.460 -9.297 1.00 0.00 C ATOM 1034 O GLU A 76 -8.580 -4.766 -8.360 1.00 0.00 O ATOM 1035 CB GLU A 76 -10.753 -7.196 -8.870 1.00 0.00 C ATOM 1036 CG GLU A 76 -11.292 -8.232 -9.860 1.00 0.00 C ATOM 1037 CD GLU A 76 -11.674 -7.575 -11.187 1.00 0.00 C ATOM 1038 OE1 GLU A 76 -10.908 -6.689 -11.623 1.00 0.00 O ATOM 1039 OE2 GLU A 76 -12.723 -7.974 -11.736 1.00 0.00 O ATOM 0 H GLU A 76 -8.645 -7.004 -7.090 1.00 0.00 H new ATOM 0 HA GLU A 76 -8.968 -7.483 -9.998 1.00 0.00 H new ATOM 0 HB2 GLU A 76 -10.920 -7.541 -7.850 1.00 0.00 H new ATOM 0 HB3 GLU A 76 -11.300 -6.260 -8.983 1.00 0.00 H new ATOM 0 HG2 GLU A 76 -10.539 -9.000 -10.034 1.00 0.00 H new ATOM 0 HG3 GLU A 76 -12.162 -8.730 -9.433 1.00 0.00 H new ATOM 1044 N ALA A 77 -9.185 -5.013 -10.525 1.00 0.00 N ATOM 1045 CA ALA A 77 -8.956 -3.618 -10.863 1.00 0.00 C ATOM 1046 C ALA A 77 -9.911 -2.737 -10.055 1.00 0.00 C ATOM 1047 O ALA A 77 -11.109 -3.010 -9.991 1.00 0.00 O ATOM 1048 CB ALA A 77 -9.121 -3.424 -12.373 1.00 0.00 C ATOM 0 H ALA A 77 -9.511 -5.591 -11.299 1.00 0.00 H new ATOM 0 HA ALA A 77 -7.939 -3.324 -10.605 1.00 0.00 H new ATOM 0 HB1 ALA A 77 -8.949 -2.378 -12.626 1.00 0.00 H new ATOM 0 HB2 ALA A 77 -8.400 -4.048 -12.901 1.00 0.00 H new ATOM 0 HB3 ALA A 77 -10.131 -3.708 -12.668 1.00 0.00 H new ATOM 1054 N GLY A 78 -9.345 -1.699 -9.458 1.00 0.00 N ATOM 1055 CA GLY A 78 -10.131 -0.776 -8.656 1.00 0.00 C ATOM 1056 C GLY A 78 -10.776 -1.495 -7.469 1.00 0.00 C ATOM 1057 O GLY A 78 -11.998 -1.484 -7.320 1.00 0.00 O ATOM 0 H GLY A 78 -8.351 -1.476 -9.513 1.00 0.00 H new ATOM 0 HA2 GLY A 78 -9.494 0.031 -8.295 1.00 0.00 H new ATOM 0 HA3 GLY A 78 -10.905 -0.319 -9.274 1.00 0.00 H new ATOM 1061 N CYS A 79 -9.927 -2.103 -6.653 1.00 0.00 N ATOM 1062 CA CYS A 79 -10.399 -2.825 -5.484 1.00 0.00 C ATOM 1063 C CYS A 79 -9.545 -2.408 -4.285 1.00 0.00 C ATOM 1064 O CYS A 79 -8.539 -1.718 -4.445 1.00 0.00 O ATOM 1065 CB CYS A 79 -10.371 -4.339 -5.705 1.00 0.00 C ATOM 1066 SG CYS A 79 -11.959 -4.896 -6.424 1.00 0.00 S ATOM 0 H CYS A 79 -8.915 -2.110 -6.779 1.00 0.00 H new ATOM 0 HA CYS A 79 -11.442 -2.571 -5.293 1.00 0.00 H new ATOM 0 HB2 CYS A 79 -9.549 -4.603 -6.370 1.00 0.00 H new ATOM 0 HB3 CYS A 79 -10.192 -4.850 -4.759 1.00 0.00 H new ATOM 0 HG CYS A 79 -12.551 -3.892 -7.000 1.00 0.00 H new ATOM 1071 N VAL A 80 -9.978 -2.843 -3.111 1.00 0.00 N ATOM 1072 CA VAL A 80 -9.265 -2.523 -1.885 1.00 0.00 C ATOM 1073 C VAL A 80 -8.309 -3.667 -1.543 1.00 0.00 C ATOM 1074 O VAL A 80 -8.669 -4.837 -1.657 1.00 0.00 O ATOM 1075 CB VAL A 80 -10.262 -2.221 -0.764 1.00 0.00 C ATOM 1076 CG1 VAL A 80 -11.142 -3.438 -0.471 1.00 0.00 C ATOM 1077 CG2 VAL A 80 -9.540 -1.749 0.500 1.00 0.00 C ATOM 0 H VAL A 80 -10.813 -3.414 -2.982 1.00 0.00 H new ATOM 0 HA VAL A 80 -8.662 -1.624 -2.017 1.00 0.00 H new ATOM 0 HB VAL A 80 -10.910 -1.412 -1.101 1.00 0.00 H new ATOM 0 HG11 VAL A 80 -11.842 -3.197 0.329 1.00 0.00 H new ATOM 0 HG12 VAL A 80 -11.697 -3.710 -1.369 1.00 0.00 H new ATOM 0 HG13 VAL A 80 -10.515 -4.275 -0.165 1.00 0.00 H new ATOM 0 HG21 VAL A 80 -10.272 -1.541 1.281 1.00 0.00 H new ATOM 0 HG22 VAL A 80 -8.857 -2.527 0.841 1.00 0.00 H new ATOM 0 HG23 VAL A 80 -8.977 -0.842 0.280 1.00 0.00 H new ATOM 1087 N VAL A 81 -7.108 -3.287 -1.130 1.00 0.00 N ATOM 1088 CA VAL A 81 -6.097 -4.267 -0.770 1.00 0.00 C ATOM 1089 C VAL A 81 -5.638 -4.015 0.667 1.00 0.00 C ATOM 1090 O VAL A 81 -5.701 -4.909 1.510 1.00 0.00 O ATOM 1091 CB VAL A 81 -4.949 -4.229 -1.780 1.00 0.00 C ATOM 1092 CG1 VAL A 81 -3.914 -5.314 -1.475 1.00 0.00 C ATOM 1093 CG2 VAL A 81 -5.473 -4.359 -3.212 1.00 0.00 C ATOM 0 H VAL A 81 -6.813 -2.315 -1.037 1.00 0.00 H new ATOM 0 HA VAL A 81 -6.511 -5.275 -0.807 1.00 0.00 H new ATOM 0 HB VAL A 81 -4.456 -3.261 -1.690 1.00 0.00 H new ATOM 0 HG11 VAL A 81 -3.109 -5.265 -2.208 1.00 0.00 H new ATOM 0 HG12 VAL A 81 -3.506 -5.157 -0.476 1.00 0.00 H new ATOM 0 HG13 VAL A 81 -4.389 -6.294 -1.523 1.00 0.00 H new ATOM 0 HG21 VAL A 81 -4.636 -4.329 -3.910 1.00 0.00 H new ATOM 0 HG22 VAL A 81 -6.003 -5.305 -3.321 1.00 0.00 H new ATOM 0 HG23 VAL A 81 -6.154 -3.535 -3.426 1.00 0.00 H new ATOM 1103 N ALA A 82 -5.184 -2.792 0.904 1.00 0.00 N ATOM 1104 CA ALA A 82 -4.714 -2.411 2.225 1.00 0.00 C ATOM 1105 C ALA A 82 -4.986 -0.921 2.448 1.00 0.00 C ATOM 1106 O ALA A 82 -5.478 -0.236 1.553 1.00 0.00 O ATOM 1107 CB ALA A 82 -3.231 -2.760 2.359 1.00 0.00 C ATOM 0 H ALA A 82 -5.132 -2.053 0.203 1.00 0.00 H new ATOM 0 HA ALA A 82 -5.249 -2.963 2.998 1.00 0.00 H new ATOM 0 HB1 ALA A 82 -2.878 -2.474 3.350 1.00 0.00 H new ATOM 0 HB2 ALA A 82 -3.096 -3.833 2.221 1.00 0.00 H new ATOM 0 HB3 ALA A 82 -2.661 -2.222 1.602 1.00 0.00 H new ATOM 1113 N ARG A 83 -4.654 -0.465 3.646 1.00 0.00 N ATOM 1114 CA ARG A 83 -4.855 0.931 3.999 1.00 0.00 C ATOM 1115 C ARG A 83 -3.509 1.614 4.248 1.00 0.00 C ATOM 1116 O ARG A 83 -2.509 0.948 4.507 1.00 0.00 O ATOM 1117 CB ARG A 83 -5.727 1.063 5.248 1.00 0.00 C ATOM 1118 CG ARG A 83 -7.183 1.344 4.873 1.00 0.00 C ATOM 1119 CD ARG A 83 -7.361 2.794 4.415 1.00 0.00 C ATOM 1120 NE ARG A 83 -8.800 3.098 4.246 1.00 0.00 N ATOM 1121 CZ ARG A 83 -9.309 4.337 4.238 1.00 0.00 C ATOM 1122 NH1 ARG A 83 -8.501 5.395 4.389 1.00 0.00 N ATOM 1123 NH2 ARG A 83 -10.627 4.518 4.079 1.00 0.00 N ATOM 0 H ARG A 83 -4.247 -1.037 4.386 1.00 0.00 H new ATOM 0 HA ARG A 83 -5.362 1.415 3.164 1.00 0.00 H new ATOM 0 HB2 ARG A 83 -5.669 0.146 5.835 1.00 0.00 H new ATOM 0 HB3 ARG A 83 -5.348 1.868 5.877 1.00 0.00 H new ATOM 0 HG2 ARG A 83 -7.495 0.667 4.078 1.00 0.00 H new ATOM 0 HG3 ARG A 83 -7.827 1.148 5.730 1.00 0.00 H new ATOM 0 HD2 ARG A 83 -6.921 3.472 5.147 1.00 0.00 H new ATOM 0 HD3 ARG A 83 -6.834 2.954 3.474 1.00 0.00 H new ATOM 0 HE ARG A 83 -9.444 2.316 4.128 1.00 0.00 H new ATOM 0 HH11 ARG A 83 -7.498 5.257 4.510 1.00 0.00 H new ATOM 0 HH12 ARG A 83 -8.889 6.338 4.383 1.00 0.00 H new ATOM 0 HH21 ARG A 83 -11.242 3.713 3.964 1.00 0.00 H new ATOM 0 HH22 ARG A 83 -11.015 5.461 4.073 1.00 0.00 H new ATOM 1134 N LEU A 84 -3.529 2.937 4.163 1.00 0.00 N ATOM 1135 CA LEU A 84 -2.322 3.717 4.377 1.00 0.00 C ATOM 1136 C LEU A 84 -2.575 4.745 5.482 1.00 0.00 C ATOM 1137 O LEU A 84 -3.529 5.518 5.409 1.00 0.00 O ATOM 1138 CB LEU A 84 -1.843 4.334 3.061 1.00 0.00 C ATOM 1139 CG LEU A 84 -0.390 4.816 3.036 1.00 0.00 C ATOM 1140 CD1 LEU A 84 -0.172 5.950 4.039 1.00 0.00 C ATOM 1141 CD2 LEU A 84 0.577 3.652 3.266 1.00 0.00 C ATOM 0 H LEU A 84 -4.361 3.487 3.949 1.00 0.00 H new ATOM 0 HA LEU A 84 -1.508 3.076 4.717 1.00 0.00 H new ATOM 0 HB2 LEU A 84 -1.974 3.598 2.268 1.00 0.00 H new ATOM 0 HB3 LEU A 84 -2.489 5.178 2.822 1.00 0.00 H new ATOM 0 HG LEU A 84 -0.179 5.218 2.045 1.00 0.00 H new ATOM 0 HD11 LEU A 84 0.868 6.274 4.001 1.00 0.00 H new ATOM 0 HD12 LEU A 84 -0.823 6.788 3.788 1.00 0.00 H new ATOM 0 HD13 LEU A 84 -0.406 5.597 5.043 1.00 0.00 H new ATOM 0 HD21 LEU A 84 1.602 4.021 3.244 1.00 0.00 H new ATOM 0 HD22 LEU A 84 0.376 3.198 4.236 1.00 0.00 H new ATOM 0 HD23 LEU A 84 0.442 2.907 2.482 1.00 0.00 H new ATOM 1152 N GLU A 85 -1.703 4.721 6.479 1.00 0.00 N ATOM 1153 CA GLU A 85 -1.819 5.641 7.598 1.00 0.00 C ATOM 1154 C GLU A 85 -0.704 6.686 7.544 1.00 0.00 C ATOM 1155 O GLU A 85 0.393 6.456 8.050 1.00 0.00 O ATOM 1156 CB GLU A 85 -1.803 4.889 8.930 1.00 0.00 C ATOM 1157 CG GLU A 85 -2.858 5.447 9.888 1.00 0.00 C ATOM 1158 CD GLU A 85 -4.251 4.927 9.531 1.00 0.00 C ATOM 1159 OE1 GLU A 85 -4.844 5.494 8.587 1.00 0.00 O ATOM 1160 OE2 GLU A 85 -4.694 3.975 10.211 1.00 0.00 O ATOM 0 H GLU A 85 -0.913 4.079 6.535 1.00 0.00 H new ATOM 0 HA GLU A 85 -2.776 6.156 7.522 1.00 0.00 H new ATOM 0 HB2 GLU A 85 -1.989 3.829 8.756 1.00 0.00 H new ATOM 0 HB3 GLU A 85 -0.816 4.968 9.385 1.00 0.00 H new ATOM 0 HG2 GLU A 85 -2.611 5.164 10.911 1.00 0.00 H new ATOM 0 HG3 GLU A 85 -2.851 6.536 9.848 1.00 0.00 H new