USER MOD reduce.3.24.130724 H: found=0, std=0, add=705, rem=0, adj=23 USER MOD reduce.3.24.130724 removed 705 hydrogens (0 hets) USER MOD ----------------------------------------------------------------- USER MOD scores for adjustable sidechains, with "set" totals for H,N and Q USER MOD "o" means original, "f" means flipped, "180deg" is methyl default USER MOD "!" flags a clash with an overlap of 0.40A or greater USER MOD flip categories: "K"=keep, "C"=clashes, "X"=uncertain, "F"=flip USER MOD Set 1.1: A 73 HIS : no HD1:sc= -0.0151 X(o=-0.24,f=-0.36) USER MOD Set 1.2: A 83 THR OG1 : rot 180:sc= -0.229 USER MOD Set 2.1: A 80 TYR OH : rot 180:sc= 0 USER MOD Set 2.2: A 98 TYR OH : rot 142:sc= 0.434 USER MOD Set 3.1: A 75 ASN : amide:sc= 0 X(o=0,f=0) USER MOD Set 3.2: A 79 THR OG1 : rot 180:sc= 0 USER MOD Set 4.1: A 68 LYS NZ :NH3+ -179:sc= 0.262 (180deg=-0.114) USER MOD Set 4.2: A 92 TYR OH : rot 140:sc= 1.51 USER MOD Single : A 18 THR OG1 : rot 30:sc= 0.121 USER MOD Single : A 19 TYR OH : rot 47:sc= 1.21 USER MOD Single : A 22 SER OG : rot 180:sc= 0.021 USER MOD Single : A 23 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 25 THR OG1 : rot 85:sc= 0.0459 USER MOD Single : A 27 SER OG : rot 180:sc= -0.0158 USER MOD Single : A 32 SER OG : rot -128:sc= 0.0229 USER MOD Single : A 33 SER OG : rot 180:sc= 0 USER MOD Single : A 34 TYR OH : rot 180:sc= 0 USER MOD Single : A 39 SER OG : rot 180:sc= 0 USER MOD Single : A 59 GLN : amide:sc= -2.76 X(o=-2.8,f=-3.2) USER MOD Single : A 61 THR OG1 : rot 180:sc= 0 USER MOD Single : A 63 GLN : amide:sc= 0 X(o=0,f=-0.0062) USER MOD Single : A 66 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 76 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 84 TYR OH : rot 140:sc= -2.32! USER MOD Single : A 88 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 89 THR OG1 : rot 180:sc= 0 USER MOD Single : A 93 MET CE :methyl -169:sc= 0 (180deg=-0.0866) USER MOD Single : A 97 THR OG1 : rot 174:sc= -1.31 USER MOD Single : A 106 SER OG : rot -91:sc= 0.0981 USER MOD Single : A 108 TYR OH : rot 180:sc= 0 USER MOD Single : A 113 THR OG1 : rot 35:sc= 0.848 USER MOD ----------------------------------------------------------------- ATOM 244 N THR A 18 -2.630 -21.004 -0.403 1.00 0.00 N ATOM 245 CA THR A 18 -1.249 -21.095 0.053 1.00 0.00 C ATOM 246 C THR A 18 -0.749 -19.748 0.563 1.00 0.00 C ATOM 247 O THR A 18 0.066 -19.686 1.484 1.00 0.00 O ATOM 248 CB THR A 18 -0.317 -21.584 -1.072 1.00 0.00 C ATOM 249 OG1 THR A 18 -0.799 -22.823 -1.602 1.00 0.00 O ATOM 250 CG2 THR A 18 1.103 -21.764 -0.558 1.00 0.00 C ATOM 0 HA THR A 18 -1.232 -21.818 0.868 1.00 0.00 H new ATOM 0 HB THR A 18 -0.308 -20.831 -1.860 1.00 0.00 H new ATOM 0 HG1 THR A 18 -1.774 -22.860 -1.511 1.00 0.00 H new ATOM 0 HG21 THR A 18 1.743 -22.110 -1.370 1.00 0.00 H new ATOM 0 HG22 THR A 18 1.477 -20.812 -0.182 1.00 0.00 H new ATOM 0 HG23 THR A 18 1.108 -22.500 0.246 1.00 0.00 H new ATOM 258 N TYR A 19 -1.242 -18.672 -0.040 1.00 0.00 N ATOM 259 CA TYR A 19 -0.842 -17.326 0.352 1.00 0.00 C ATOM 260 C TYR A 19 -1.313 -17.009 1.769 1.00 0.00 C ATOM 261 O TYR A 19 -2.235 -17.642 2.285 1.00 0.00 O ATOM 262 CB TYR A 19 -1.409 -16.297 -0.627 1.00 0.00 C ATOM 263 CG TYR A 19 -2.862 -15.960 -0.378 1.00 0.00 C ATOM 264 CD1 TYR A 19 -3.222 -14.998 0.558 1.00 0.00 C ATOM 265 CD2 TYR A 19 -3.875 -16.603 -1.079 1.00 0.00 C ATOM 266 CE1 TYR A 19 -4.548 -14.687 0.790 1.00 0.00 C ATOM 267 CE2 TYR A 19 -5.204 -16.297 -0.855 1.00 0.00 C ATOM 268 CZ TYR A 19 -5.535 -15.339 0.081 1.00 0.00 C ATOM 269 OH TYR A 19 -6.857 -15.032 0.308 1.00 0.00 O ATOM 0 H TYR A 19 -1.919 -18.706 -0.802 1.00 0.00 H new ATOM 0 HA TYR A 19 0.247 -17.277 0.330 1.00 0.00 H new ATOM 0 HB2 TYR A 19 -0.817 -15.384 -0.564 1.00 0.00 H new ATOM 0 HB3 TYR A 19 -1.302 -16.677 -1.643 1.00 0.00 H new ATOM 0 HD1 TYR A 19 -2.452 -14.484 1.114 1.00 0.00 H new ATOM 0 HD2 TYR A 19 -3.619 -17.355 -1.811 1.00 0.00 H new ATOM 0 HE1 TYR A 19 -4.810 -13.938 1.522 1.00 0.00 H new ATOM 0 HE2 TYR A 19 -5.979 -16.805 -1.410 1.00 0.00 H new ATOM 0 HH TYR A 19 -6.970 -14.059 0.315 1.00 0.00 H new ATOM 279 N ASP A 20 -0.674 -16.025 2.391 1.00 0.00 N ATOM 280 CA ASP A 20 -1.027 -15.622 3.747 1.00 0.00 C ATOM 281 C ASP A 20 -0.745 -14.138 3.964 1.00 0.00 C ATOM 282 O ASP A 20 0.410 -13.714 3.999 1.00 0.00 O ATOM 283 CB ASP A 20 -0.251 -16.455 4.769 1.00 0.00 C ATOM 284 CG ASP A 20 -0.987 -17.720 5.162 1.00 0.00 C ATOM 285 OD1 ASP A 20 -2.235 -17.720 5.114 1.00 0.00 O ATOM 286 OD2 ASP A 20 -0.315 -18.711 5.520 1.00 0.00 O ATOM 0 H ASP A 20 0.091 -15.492 1.978 1.00 0.00 H new ATOM 0 HA ASP A 20 -2.094 -15.795 3.884 1.00 0.00 H new ATOM 0 HB2 ASP A 20 0.722 -16.718 4.355 1.00 0.00 H new ATOM 0 HB3 ASP A 20 -0.067 -15.854 5.659 1.00 0.00 H new ATOM 291 N ALA A 21 -1.808 -13.354 4.107 1.00 0.00 N ATOM 292 CA ALA A 21 -1.675 -11.918 4.320 1.00 0.00 C ATOM 293 C ALA A 21 -0.877 -11.623 5.586 1.00 0.00 C ATOM 294 O ALA A 21 0.027 -10.787 5.581 1.00 0.00 O ATOM 295 CB ALA A 21 -3.047 -11.266 4.395 1.00 0.00 C ATOM 0 H ALA A 21 -2.771 -13.689 4.079 1.00 0.00 H new ATOM 0 HA ALA A 21 -1.132 -11.499 3.473 1.00 0.00 H new ATOM 0 HB1 ALA A 21 -2.932 -10.194 4.554 1.00 0.00 H new ATOM 0 HB2 ALA A 21 -3.583 -11.439 3.462 1.00 0.00 H new ATOM 0 HB3 ALA A 21 -3.610 -11.697 5.223 1.00 0.00 H new ATOM 301 N SER A 22 -1.218 -12.314 6.669 1.00 0.00 N ATOM 302 CA SER A 22 -0.536 -12.122 7.944 1.00 0.00 C ATOM 303 C SER A 22 0.977 -12.225 7.772 1.00 0.00 C ATOM 304 O SER A 22 1.741 -11.577 8.488 1.00 0.00 O ATOM 305 CB SER A 22 -1.016 -13.156 8.964 1.00 0.00 C ATOM 306 OG SER A 22 -2.426 -13.293 8.926 1.00 0.00 O ATOM 0 H SER A 22 -1.962 -13.011 6.689 1.00 0.00 H new ATOM 0 HA SER A 22 -0.776 -11.123 8.309 1.00 0.00 H new ATOM 0 HB2 SER A 22 -0.548 -14.119 8.758 1.00 0.00 H new ATOM 0 HB3 SER A 22 -0.703 -12.857 9.964 1.00 0.00 H new ATOM 0 HG SER A 22 -2.708 -13.961 9.586 1.00 0.00 H new ATOM 312 N LYS A 23 1.403 -13.044 6.816 1.00 0.00 N ATOM 313 CA LYS A 23 2.823 -13.233 6.547 1.00 0.00 C ATOM 314 C LYS A 23 3.344 -12.159 5.598 1.00 0.00 C ATOM 315 O LYS A 23 4.296 -12.385 4.850 1.00 0.00 O ATOM 316 CB LYS A 23 3.070 -14.620 5.949 1.00 0.00 C ATOM 317 CG LYS A 23 2.964 -15.746 6.963 1.00 0.00 C ATOM 318 CD LYS A 23 4.237 -15.881 7.781 1.00 0.00 C ATOM 319 CE LYS A 23 4.254 -17.177 8.577 1.00 0.00 C ATOM 320 NZ LYS A 23 5.507 -17.327 9.367 1.00 0.00 N ATOM 0 H LYS A 23 0.784 -13.588 6.214 1.00 0.00 H new ATOM 0 HA LYS A 23 3.360 -13.151 7.492 1.00 0.00 H new ATOM 0 HB2 LYS A 23 2.352 -14.795 5.148 1.00 0.00 H new ATOM 0 HB3 LYS A 23 4.062 -14.641 5.498 1.00 0.00 H new ATOM 0 HG2 LYS A 23 2.121 -15.560 7.628 1.00 0.00 H new ATOM 0 HG3 LYS A 23 2.761 -16.684 6.446 1.00 0.00 H new ATOM 0 HD2 LYS A 23 5.102 -15.849 7.118 1.00 0.00 H new ATOM 0 HD3 LYS A 23 4.325 -15.034 8.461 1.00 0.00 H new ATOM 0 HE2 LYS A 23 3.396 -17.202 9.249 1.00 0.00 H new ATOM 0 HE3 LYS A 23 4.150 -18.022 7.897 1.00 0.00 H new ATOM 0 HZ1 LYS A 23 5.479 -18.223 9.895 1.00 0.00 H new ATOM 0 HZ2 LYS A 23 6.325 -17.329 8.724 1.00 0.00 H new ATOM 0 HZ3 LYS A 23 5.594 -16.534 10.034 1.00 0.00 H new ATOM 334 N VAL A 24 2.715 -10.988 5.633 1.00 0.00 N ATOM 335 CA VAL A 24 3.117 -9.878 4.778 1.00 0.00 C ATOM 336 C VAL A 24 3.631 -8.705 5.605 1.00 0.00 C ATOM 337 O VAL A 24 2.953 -8.229 6.517 1.00 0.00 O ATOM 338 CB VAL A 24 1.950 -9.398 3.896 1.00 0.00 C ATOM 339 CG1 VAL A 24 2.378 -8.215 3.041 1.00 0.00 C ATOM 340 CG2 VAL A 24 1.436 -10.536 3.027 1.00 0.00 C ATOM 0 H VAL A 24 1.925 -10.784 6.245 1.00 0.00 H new ATOM 0 HA VAL A 24 3.919 -10.246 4.138 1.00 0.00 H new ATOM 0 HB VAL A 24 1.138 -9.071 4.545 1.00 0.00 H new ATOM 0 HG11 VAL A 24 1.540 -7.890 2.424 1.00 0.00 H new ATOM 0 HG12 VAL A 24 2.694 -7.395 3.686 1.00 0.00 H new ATOM 0 HG13 VAL A 24 3.207 -8.511 2.399 1.00 0.00 H new ATOM 0 HG21 VAL A 24 0.611 -10.179 2.410 1.00 0.00 H new ATOM 0 HG22 VAL A 24 2.240 -10.895 2.385 1.00 0.00 H new ATOM 0 HG23 VAL A 24 1.088 -11.350 3.662 1.00 0.00 H new ATOM 350 N THR A 25 4.834 -8.240 5.281 1.00 0.00 N ATOM 351 CA THR A 25 5.439 -7.123 5.994 1.00 0.00 C ATOM 352 C THR A 25 5.978 -6.078 5.024 1.00 0.00 C ATOM 353 O THR A 25 6.231 -6.374 3.856 1.00 0.00 O ATOM 354 CB THR A 25 6.584 -7.595 6.910 1.00 0.00 C ATOM 355 OG1 THR A 25 7.507 -8.398 6.166 1.00 0.00 O ATOM 356 CG2 THR A 25 6.042 -8.393 8.086 1.00 0.00 C ATOM 0 H THR A 25 5.408 -8.621 4.529 1.00 0.00 H new ATOM 0 HA THR A 25 4.655 -6.677 6.605 1.00 0.00 H new ATOM 0 HB THR A 25 7.098 -6.715 7.295 1.00 0.00 H new ATOM 0 HG1 THR A 25 8.152 -7.818 5.711 1.00 0.00 H new ATOM 0 HG21 THR A 25 6.869 -8.716 8.719 1.00 0.00 H new ATOM 0 HG22 THR A 25 5.363 -7.769 8.667 1.00 0.00 H new ATOM 0 HG23 THR A 25 5.506 -9.267 7.716 1.00 0.00 H new ATOM 364 N ALA A 26 6.152 -4.855 5.514 1.00 0.00 N ATOM 365 CA ALA A 26 6.664 -3.767 4.690 1.00 0.00 C ATOM 366 C ALA A 26 7.663 -2.915 5.465 1.00 0.00 C ATOM 367 O ALA A 26 7.547 -2.756 6.680 1.00 0.00 O ATOM 368 CB ALA A 26 5.517 -2.907 4.180 1.00 0.00 C ATOM 0 H ALA A 26 5.946 -4.593 6.478 1.00 0.00 H new ATOM 0 HA ALA A 26 7.184 -4.203 3.837 1.00 0.00 H new ATOM 0 HB1 ALA A 26 5.914 -2.098 3.566 1.00 0.00 H new ATOM 0 HB2 ALA A 26 4.842 -3.519 3.582 1.00 0.00 H new ATOM 0 HB3 ALA A 26 4.973 -2.487 5.026 1.00 0.00 H new ATOM 374 N SER A 27 8.644 -2.369 4.754 1.00 0.00 N ATOM 375 CA SER A 27 9.667 -1.536 5.376 1.00 0.00 C ATOM 376 C SER A 27 10.135 -0.444 4.419 1.00 0.00 C ATOM 377 O SER A 27 10.130 -0.626 3.202 1.00 0.00 O ATOM 378 CB SER A 27 10.857 -2.393 5.812 1.00 0.00 C ATOM 379 OG SER A 27 10.439 -3.463 6.641 1.00 0.00 O ATOM 0 H SER A 27 8.752 -2.488 3.747 1.00 0.00 H new ATOM 0 HA SER A 27 9.229 -1.061 6.254 1.00 0.00 H new ATOM 0 HB2 SER A 27 11.366 -2.788 4.933 1.00 0.00 H new ATOM 0 HB3 SER A 27 11.578 -1.775 6.347 1.00 0.00 H new ATOM 0 HG SER A 27 11.218 -3.996 6.905 1.00 0.00 H new ATOM 385 N GLY A 28 10.539 0.692 4.979 1.00 0.00 N ATOM 386 CA GLY A 28 11.004 1.798 4.162 1.00 0.00 C ATOM 387 C GLY A 28 10.581 3.145 4.714 1.00 0.00 C ATOM 388 O GLY A 28 10.001 3.242 5.795 1.00 0.00 O ATOM 0 H GLY A 28 10.553 0.866 5.984 1.00 0.00 H new ATOM 0 HA2 GLY A 28 12.091 1.762 4.093 1.00 0.00 H new ATOM 0 HA3 GLY A 28 10.616 1.686 3.149 1.00 0.00 H new ATOM 392 N PRO A 29 10.875 4.215 3.961 1.00 0.00 N ATOM 393 CA PRO A 29 10.531 5.583 4.361 1.00 0.00 C ATOM 394 C PRO A 29 9.029 5.840 4.315 1.00 0.00 C ATOM 395 O PRO A 29 8.482 6.542 5.165 1.00 0.00 O ATOM 396 CB PRO A 29 11.254 6.448 3.326 1.00 0.00 C ATOM 397 CG PRO A 29 11.395 5.570 2.131 1.00 0.00 C ATOM 398 CD PRO A 29 11.565 4.173 2.661 1.00 0.00 C ATOM 0 HA PRO A 29 10.823 5.792 5.390 1.00 0.00 H new ATOM 0 HB2 PRO A 29 10.683 7.346 3.092 1.00 0.00 H new ATOM 0 HB3 PRO A 29 12.226 6.776 3.694 1.00 0.00 H new ATOM 0 HG2 PRO A 29 10.516 5.640 1.490 1.00 0.00 H new ATOM 0 HG3 PRO A 29 12.254 5.866 1.528 1.00 0.00 H new ATOM 0 HD2 PRO A 29 11.121 3.434 1.994 1.00 0.00 H new ATOM 0 HD3 PRO A 29 12.617 3.911 2.773 1.00 0.00 H new ATOM 406 N GLY A 30 8.365 5.266 3.316 1.00 0.00 N ATOM 407 CA GLY A 30 6.932 5.445 3.178 1.00 0.00 C ATOM 408 C GLY A 30 6.181 5.124 4.455 1.00 0.00 C ATOM 409 O GLY A 30 5.172 5.758 4.768 1.00 0.00 O ATOM 0 H GLY A 30 8.794 4.680 2.600 1.00 0.00 H new ATOM 0 HA2 GLY A 30 6.724 6.475 2.887 1.00 0.00 H new ATOM 0 HA3 GLY A 30 6.565 4.807 2.374 1.00 0.00 H new ATOM 413 N LEU A 31 6.673 4.136 5.196 1.00 0.00 N ATOM 414 CA LEU A 31 6.041 3.731 6.447 1.00 0.00 C ATOM 415 C LEU A 31 6.918 4.091 7.641 1.00 0.00 C ATOM 416 O LEU A 31 6.819 3.478 8.704 1.00 0.00 O ATOM 417 CB LEU A 31 5.765 2.226 6.437 1.00 0.00 C ATOM 418 CG LEU A 31 5.040 1.685 5.205 1.00 0.00 C ATOM 419 CD1 LEU A 31 5.345 0.207 5.012 1.00 0.00 C ATOM 420 CD2 LEU A 31 3.540 1.910 5.327 1.00 0.00 C ATOM 0 H LEU A 31 7.507 3.601 4.952 1.00 0.00 H new ATOM 0 HA LEU A 31 5.096 4.267 6.539 1.00 0.00 H new ATOM 0 HB2 LEU A 31 6.716 1.702 6.534 1.00 0.00 H new ATOM 0 HB3 LEU A 31 5.174 1.979 7.319 1.00 0.00 H new ATOM 0 HG LEU A 31 5.398 2.226 4.330 1.00 0.00 H new ATOM 0 HD11 LEU A 31 4.820 -0.161 4.130 1.00 0.00 H new ATOM 0 HD12 LEU A 31 6.418 0.071 4.878 1.00 0.00 H new ATOM 0 HD13 LEU A 31 5.015 -0.350 5.889 1.00 0.00 H new ATOM 0 HD21 LEU A 31 3.040 1.519 4.441 1.00 0.00 H new ATOM 0 HD22 LEU A 31 3.166 1.395 6.212 1.00 0.00 H new ATOM 0 HD23 LEU A 31 3.338 2.977 5.416 1.00 0.00 H new ATOM 432 N SER A 32 7.775 5.091 7.460 1.00 0.00 N ATOM 433 CA SER A 32 8.671 5.532 8.522 1.00 0.00 C ATOM 434 C SER A 32 7.879 6.030 9.728 1.00 0.00 C ATOM 435 O SER A 32 7.090 6.968 9.622 1.00 0.00 O ATOM 436 CB SER A 32 9.595 6.639 8.012 1.00 0.00 C ATOM 437 OG SER A 32 10.230 7.309 9.087 1.00 0.00 O ATOM 0 H SER A 32 7.867 5.611 6.587 1.00 0.00 H new ATOM 0 HA SER A 32 9.275 4.679 8.832 1.00 0.00 H new ATOM 0 HB2 SER A 32 10.348 6.212 7.350 1.00 0.00 H new ATOM 0 HB3 SER A 32 9.021 7.354 7.422 1.00 0.00 H new ATOM 0 HG SER A 32 10.092 8.275 8.997 1.00 0.00 H new ATOM 443 N SER A 33 8.098 5.394 10.875 1.00 0.00 N ATOM 444 CA SER A 33 7.403 5.769 12.101 1.00 0.00 C ATOM 445 C SER A 33 7.785 7.182 12.532 1.00 0.00 C ATOM 446 O SER A 33 6.947 7.944 13.015 1.00 0.00 O ATOM 447 CB SER A 33 7.728 4.777 13.220 1.00 0.00 C ATOM 448 OG SER A 33 6.837 4.929 14.311 1.00 0.00 O ATOM 0 H SER A 33 8.751 4.617 10.981 1.00 0.00 H new ATOM 0 HA SER A 33 6.331 5.745 11.904 1.00 0.00 H new ATOM 0 HB2 SER A 33 7.668 3.759 12.836 1.00 0.00 H new ATOM 0 HB3 SER A 33 8.753 4.930 13.559 1.00 0.00 H new ATOM 0 HG SER A 33 7.065 4.283 15.012 1.00 0.00 H new ATOM 454 N TYR A 34 9.056 7.524 12.353 1.00 0.00 N ATOM 455 CA TYR A 34 9.551 8.844 12.725 1.00 0.00 C ATOM 456 C TYR A 34 8.798 9.940 11.976 1.00 0.00 C ATOM 457 O TYR A 34 8.576 11.029 12.504 1.00 0.00 O ATOM 458 CB TYR A 34 11.049 8.950 12.436 1.00 0.00 C ATOM 459 CG TYR A 34 11.835 7.728 12.855 1.00 0.00 C ATOM 460 CD1 TYR A 34 12.203 7.536 14.181 1.00 0.00 C ATOM 461 CD2 TYR A 34 12.210 6.767 11.925 1.00 0.00 C ATOM 462 CE1 TYR A 34 12.921 6.421 14.569 1.00 0.00 C ATOM 463 CE2 TYR A 34 12.927 5.648 12.304 1.00 0.00 C ATOM 464 CZ TYR A 34 13.280 5.480 13.627 1.00 0.00 C ATOM 465 OH TYR A 34 13.996 4.368 14.008 1.00 0.00 O ATOM 0 H TYR A 34 9.762 6.906 11.953 1.00 0.00 H new ATOM 0 HA TYR A 34 9.383 8.979 13.794 1.00 0.00 H new ATOM 0 HB2 TYR A 34 11.194 9.116 11.368 1.00 0.00 H new ATOM 0 HB3 TYR A 34 11.449 9.823 12.951 1.00 0.00 H new ATOM 0 HD1 TYR A 34 11.923 8.271 14.921 1.00 0.00 H new ATOM 0 HD2 TYR A 34 11.937 6.896 10.888 1.00 0.00 H new ATOM 0 HE1 TYR A 34 13.199 6.287 15.604 1.00 0.00 H new ATOM 0 HE2 TYR A 34 13.209 4.909 11.569 1.00 0.00 H new ATOM 0 HH TYR A 34 14.167 3.805 13.225 1.00 0.00 H new ATOM 475 N GLY A 35 8.407 9.641 10.741 1.00 0.00 N ATOM 476 CA GLY A 35 7.683 10.609 9.938 1.00 0.00 C ATOM 477 C GLY A 35 8.231 10.720 8.529 1.00 0.00 C ATOM 478 O GLY A 35 9.381 10.363 8.273 1.00 0.00 O ATOM 0 H GLY A 35 8.579 8.746 10.282 1.00 0.00 H new ATOM 0 HA2 GLY A 35 6.631 10.326 9.894 1.00 0.00 H new ATOM 0 HA3 GLY A 35 7.731 11.585 10.421 1.00 0.00 H new ATOM 482 N VAL A 36 7.407 11.216 7.612 1.00 0.00 N ATOM 483 CA VAL A 36 7.815 11.373 6.221 1.00 0.00 C ATOM 484 C VAL A 36 7.790 12.839 5.803 1.00 0.00 C ATOM 485 O VAL A 36 6.990 13.636 6.294 1.00 0.00 O ATOM 486 CB VAL A 36 6.908 10.564 5.275 1.00 0.00 C ATOM 487 CG1 VAL A 36 7.015 9.077 5.574 1.00 0.00 C ATOM 488 CG2 VAL A 36 5.466 11.037 5.387 1.00 0.00 C ATOM 0 H VAL A 36 6.452 11.516 7.807 1.00 0.00 H new ATOM 0 HA VAL A 36 8.834 10.995 6.145 1.00 0.00 H new ATOM 0 HB VAL A 36 7.242 10.728 4.251 1.00 0.00 H new ATOM 0 HG11 VAL A 36 6.367 8.522 4.896 1.00 0.00 H new ATOM 0 HG12 VAL A 36 8.046 8.752 5.438 1.00 0.00 H new ATOM 0 HG13 VAL A 36 6.708 8.890 6.603 1.00 0.00 H new ATOM 0 HG21 VAL A 36 4.839 10.455 4.712 1.00 0.00 H new ATOM 0 HG22 VAL A 36 5.118 10.904 6.411 1.00 0.00 H new ATOM 0 HG23 VAL A 36 5.407 12.092 5.118 1.00 0.00 H new ATOM 498 N PRO A 37 8.685 13.204 4.874 1.00 0.00 N ATOM 499 CA PRO A 37 8.785 14.576 4.367 1.00 0.00 C ATOM 500 C PRO A 37 7.587 14.966 3.507 1.00 0.00 C ATOM 501 O PRO A 37 7.321 14.344 2.479 1.00 0.00 O ATOM 502 CB PRO A 37 10.063 14.551 3.525 1.00 0.00 C ATOM 503 CG PRO A 37 10.216 13.128 3.111 1.00 0.00 C ATOM 504 CD PRO A 37 9.668 12.306 4.245 1.00 0.00 C ATOM 0 HA PRO A 37 8.805 15.308 5.174 1.00 0.00 H new ATOM 0 HB2 PRO A 37 9.980 15.208 2.660 1.00 0.00 H new ATOM 0 HB3 PRO A 37 10.924 14.890 4.101 1.00 0.00 H new ATOM 0 HG2 PRO A 37 9.673 12.930 2.187 1.00 0.00 H new ATOM 0 HG3 PRO A 37 11.262 12.886 2.924 1.00 0.00 H new ATOM 0 HD2 PRO A 37 9.202 11.388 3.887 1.00 0.00 H new ATOM 0 HD3 PRO A 37 10.451 12.014 4.945 1.00 0.00 H new ATOM 512 N ALA A 38 6.868 15.998 3.935 1.00 0.00 N ATOM 513 CA ALA A 38 5.700 16.471 3.203 1.00 0.00 C ATOM 514 C ALA A 38 6.063 16.836 1.767 1.00 0.00 C ATOM 515 O ALA A 38 7.235 17.029 1.443 1.00 0.00 O ATOM 516 CB ALA A 38 5.081 17.666 3.913 1.00 0.00 C ATOM 0 H ALA A 38 7.074 16.523 4.785 1.00 0.00 H new ATOM 0 HA ALA A 38 4.969 15.663 3.171 1.00 0.00 H new ATOM 0 HB1 ALA A 38 4.210 18.009 3.355 1.00 0.00 H new ATOM 0 HB2 ALA A 38 4.777 17.374 4.918 1.00 0.00 H new ATOM 0 HB3 ALA A 38 5.813 18.472 3.975 1.00 0.00 H new ATOM 522 N SER A 39 5.051 16.928 0.911 1.00 0.00 N ATOM 523 CA SER A 39 5.264 17.266 -0.491 1.00 0.00 C ATOM 524 C SER A 39 6.478 16.529 -1.048 1.00 0.00 C ATOM 525 O SER A 39 7.294 17.108 -1.767 1.00 0.00 O ATOM 526 CB SER A 39 5.451 18.776 -0.652 1.00 0.00 C ATOM 527 OG SER A 39 5.047 19.205 -1.941 1.00 0.00 O ATOM 0 H SER A 39 4.075 16.773 1.164 1.00 0.00 H new ATOM 0 HA SER A 39 4.383 16.955 -1.052 1.00 0.00 H new ATOM 0 HB2 SER A 39 4.871 19.300 0.108 1.00 0.00 H new ATOM 0 HB3 SER A 39 6.497 19.035 -0.490 1.00 0.00 H new ATOM 0 HG SER A 39 5.175 20.174 -2.018 1.00 0.00 H new ATOM 533 N LEU A 40 6.592 15.249 -0.712 1.00 0.00 N ATOM 534 CA LEU A 40 7.706 14.431 -1.177 1.00 0.00 C ATOM 535 C LEU A 40 7.242 13.017 -1.511 1.00 0.00 C ATOM 536 O LEU A 40 6.673 12.312 -0.678 1.00 0.00 O ATOM 537 CB LEU A 40 8.807 14.382 -0.116 1.00 0.00 C ATOM 538 CG LEU A 40 10.236 14.225 -0.638 1.00 0.00 C ATOM 539 CD1 LEU A 40 10.398 12.894 -1.356 1.00 0.00 C ATOM 540 CD2 LEU A 40 10.597 15.379 -1.561 1.00 0.00 C ATOM 0 H LEU A 40 5.926 14.755 -0.119 1.00 0.00 H new ATOM 0 HA LEU A 40 8.104 14.886 -2.084 1.00 0.00 H new ATOM 0 HB2 LEU A 40 8.756 15.297 0.475 1.00 0.00 H new ATOM 0 HB3 LEU A 40 8.596 13.554 0.560 1.00 0.00 H new ATOM 0 HG LEU A 40 10.917 14.241 0.213 1.00 0.00 H new ATOM 0 HD11 LEU A 40 11.421 12.799 -1.721 1.00 0.00 H new ATOM 0 HD12 LEU A 40 10.182 12.079 -0.665 1.00 0.00 H new ATOM 0 HD13 LEU A 40 9.707 12.848 -2.198 1.00 0.00 H new ATOM 0 HD21 LEU A 40 11.617 15.250 -1.923 1.00 0.00 H new ATOM 0 HD22 LEU A 40 9.911 15.396 -2.408 1.00 0.00 H new ATOM 0 HD23 LEU A 40 10.522 16.319 -1.015 1.00 0.00 H new ATOM 552 N PRO A 41 7.492 12.590 -2.757 1.00 0.00 N ATOM 553 CA PRO A 41 7.111 11.256 -3.229 1.00 0.00 C ATOM 554 C PRO A 41 7.940 10.153 -2.580 1.00 0.00 C ATOM 555 O PRO A 41 9.092 9.928 -2.952 1.00 0.00 O ATOM 556 CB PRO A 41 7.388 11.318 -4.733 1.00 0.00 C ATOM 557 CG PRO A 41 8.437 12.365 -4.882 1.00 0.00 C ATOM 558 CD PRO A 41 8.167 13.378 -3.803 1.00 0.00 C ATOM 0 HA PRO A 41 6.077 11.017 -2.982 1.00 0.00 H new ATOM 0 HB2 PRO A 41 7.732 10.356 -5.112 1.00 0.00 H new ATOM 0 HB3 PRO A 41 6.488 11.577 -5.291 1.00 0.00 H new ATOM 0 HG2 PRO A 41 9.434 11.937 -4.775 1.00 0.00 H new ATOM 0 HG3 PRO A 41 8.392 12.825 -5.869 1.00 0.00 H new ATOM 0 HD2 PRO A 41 9.089 13.829 -3.435 1.00 0.00 H new ATOM 0 HD3 PRO A 41 7.537 14.191 -4.163 1.00 0.00 H new ATOM 566 N VAL A 42 7.347 9.467 -1.608 1.00 0.00 N ATOM 567 CA VAL A 42 8.031 8.386 -0.908 1.00 0.00 C ATOM 568 C VAL A 42 7.368 7.042 -1.191 1.00 0.00 C ATOM 569 O VAL A 42 6.145 6.953 -1.299 1.00 0.00 O ATOM 570 CB VAL A 42 8.050 8.626 0.614 1.00 0.00 C ATOM 571 CG1 VAL A 42 6.633 8.696 1.161 1.00 0.00 C ATOM 572 CG2 VAL A 42 8.848 7.537 1.314 1.00 0.00 C ATOM 0 H VAL A 42 6.394 9.641 -1.287 1.00 0.00 H new ATOM 0 HA VAL A 42 9.056 8.368 -1.278 1.00 0.00 H new ATOM 0 HB VAL A 42 8.536 9.582 0.808 1.00 0.00 H new ATOM 0 HG11 VAL A 42 6.666 8.866 2.237 1.00 0.00 H new ATOM 0 HG12 VAL A 42 6.098 9.515 0.681 1.00 0.00 H new ATOM 0 HG13 VAL A 42 6.118 7.757 0.958 1.00 0.00 H new ATOM 0 HG21 VAL A 42 8.851 7.722 2.388 1.00 0.00 H new ATOM 0 HG22 VAL A 42 8.393 6.567 1.114 1.00 0.00 H new ATOM 0 HG23 VAL A 42 9.873 7.541 0.942 1.00 0.00 H new ATOM 582 N ASP A 43 8.183 6.000 -1.308 1.00 0.00 N ATOM 583 CA ASP A 43 7.676 4.660 -1.577 1.00 0.00 C ATOM 584 C ASP A 43 8.357 3.631 -0.680 1.00 0.00 C ATOM 585 O ASP A 43 9.522 3.787 -0.312 1.00 0.00 O ATOM 586 CB ASP A 43 7.892 4.295 -3.047 1.00 0.00 C ATOM 587 CG ASP A 43 9.360 4.156 -3.400 1.00 0.00 C ATOM 588 OD1 ASP A 43 10.010 3.229 -2.876 1.00 0.00 O ATOM 589 OD2 ASP A 43 9.858 4.976 -4.200 1.00 0.00 O ATOM 0 H ASP A 43 9.198 6.057 -1.221 1.00 0.00 H new ATOM 0 HA ASP A 43 6.607 4.653 -1.362 1.00 0.00 H new ATOM 0 HB2 ASP A 43 7.379 3.358 -3.265 1.00 0.00 H new ATOM 0 HB3 ASP A 43 7.440 5.060 -3.678 1.00 0.00 H new ATOM 594 N PHE A 44 7.623 2.580 -0.331 1.00 0.00 N ATOM 595 CA PHE A 44 8.156 1.526 0.525 1.00 0.00 C ATOM 596 C PHE A 44 8.310 0.221 -0.250 1.00 0.00 C ATOM 597 O PHE A 44 8.043 0.165 -1.450 1.00 0.00 O ATOM 598 CB PHE A 44 7.241 1.310 1.733 1.00 0.00 C ATOM 599 CG PHE A 44 5.784 1.233 1.375 1.00 0.00 C ATOM 600 CD1 PHE A 44 5.031 2.387 1.230 1.00 0.00 C ATOM 601 CD2 PHE A 44 5.168 0.007 1.185 1.00 0.00 C ATOM 602 CE1 PHE A 44 3.690 2.319 0.901 1.00 0.00 C ATOM 603 CE2 PHE A 44 3.828 -0.067 0.855 1.00 0.00 C ATOM 604 CZ PHE A 44 3.088 1.091 0.714 1.00 0.00 C ATOM 0 H PHE A 44 6.658 2.435 -0.627 1.00 0.00 H new ATOM 0 HA PHE A 44 9.140 1.839 0.874 1.00 0.00 H new ATOM 0 HB2 PHE A 44 7.532 0.389 2.239 1.00 0.00 H new ATOM 0 HB3 PHE A 44 7.390 2.124 2.442 1.00 0.00 H new ATOM 0 HD1 PHE A 44 5.497 3.350 1.376 1.00 0.00 H new ATOM 0 HD2 PHE A 44 5.741 -0.901 1.296 1.00 0.00 H new ATOM 0 HE1 PHE A 44 3.114 3.226 0.790 1.00 0.00 H new ATOM 0 HE2 PHE A 44 3.360 -1.029 0.708 1.00 0.00 H new ATOM 0 HZ PHE A 44 2.040 1.036 0.458 1.00 0.00 H new ATOM 614 N ALA A 45 8.743 -0.826 0.445 1.00 0.00 N ATOM 615 CA ALA A 45 8.932 -2.130 -0.177 1.00 0.00 C ATOM 616 C ALA A 45 8.263 -3.230 0.641 1.00 0.00 C ATOM 617 O ALA A 45 8.550 -3.396 1.827 1.00 0.00 O ATOM 618 CB ALA A 45 10.415 -2.424 -0.347 1.00 0.00 C ATOM 0 H ALA A 45 8.969 -0.796 1.439 1.00 0.00 H new ATOM 0 HA ALA A 45 8.463 -2.108 -1.160 1.00 0.00 H new ATOM 0 HB1 ALA A 45 10.541 -3.401 -0.813 1.00 0.00 H new ATOM 0 HB2 ALA A 45 10.867 -1.660 -0.979 1.00 0.00 H new ATOM 0 HB3 ALA A 45 10.901 -2.422 0.629 1.00 0.00 H new ATOM 624 N ILE A 46 7.371 -3.978 0.001 1.00 0.00 N ATOM 625 CA ILE A 46 6.663 -5.062 0.670 1.00 0.00 C ATOM 626 C ILE A 46 7.353 -6.401 0.429 1.00 0.00 C ATOM 627 O ILE A 46 7.212 -7.000 -0.638 1.00 0.00 O ATOM 628 CB ILE A 46 5.201 -5.158 0.194 1.00 0.00 C ATOM 629 CG1 ILE A 46 4.485 -3.822 0.406 1.00 0.00 C ATOM 630 CG2 ILE A 46 4.477 -6.276 0.929 1.00 0.00 C ATOM 631 CD1 ILE A 46 3.316 -3.609 -0.530 1.00 0.00 C ATOM 0 H ILE A 46 7.121 -3.853 -0.980 1.00 0.00 H new ATOM 0 HA ILE A 46 6.676 -4.836 1.736 1.00 0.00 H new ATOM 0 HB ILE A 46 5.195 -5.387 -0.872 1.00 0.00 H new ATOM 0 HG12 ILE A 46 4.131 -3.768 1.435 1.00 0.00 H new ATOM 0 HG13 ILE A 46 5.200 -3.010 0.272 1.00 0.00 H new ATOM 0 HG21 ILE A 46 3.445 -6.331 0.582 1.00 0.00 H new ATOM 0 HG22 ILE A 46 4.977 -7.224 0.732 1.00 0.00 H new ATOM 0 HG23 ILE A 46 4.489 -6.075 2.000 1.00 0.00 H new ATOM 0 HD11 ILE A 46 2.856 -2.643 -0.323 1.00 0.00 H new ATOM 0 HD12 ILE A 46 3.667 -3.631 -1.562 1.00 0.00 H new ATOM 0 HD13 ILE A 46 2.581 -4.400 -0.380 1.00 0.00 H new ATOM 643 N ASP A 47 8.097 -6.865 1.427 1.00 0.00 N ATOM 644 CA ASP A 47 8.806 -8.135 1.325 1.00 0.00 C ATOM 645 C ASP A 47 8.001 -9.260 1.967 1.00 0.00 C ATOM 646 O ASP A 47 7.719 -9.230 3.164 1.00 0.00 O ATOM 647 CB ASP A 47 10.180 -8.030 1.989 1.00 0.00 C ATOM 648 CG ASP A 47 10.171 -7.112 3.196 1.00 0.00 C ATOM 649 OD1 ASP A 47 10.387 -5.895 3.017 1.00 0.00 O ATOM 650 OD2 ASP A 47 9.948 -7.611 4.318 1.00 0.00 O ATOM 0 H ASP A 47 8.225 -6.381 2.316 1.00 0.00 H new ATOM 0 HA ASP A 47 8.938 -8.366 0.268 1.00 0.00 H new ATOM 0 HB2 ASP A 47 10.510 -9.023 2.294 1.00 0.00 H new ATOM 0 HB3 ASP A 47 10.905 -7.663 1.262 1.00 0.00 H new ATOM 655 N ALA A 48 7.634 -10.252 1.162 1.00 0.00 N ATOM 656 CA ALA A 48 6.862 -11.387 1.652 1.00 0.00 C ATOM 657 C ALA A 48 7.697 -12.663 1.643 1.00 0.00 C ATOM 658 O ALA A 48 8.259 -13.042 0.615 1.00 0.00 O ATOM 659 CB ALA A 48 5.605 -11.571 0.815 1.00 0.00 C ATOM 0 H ALA A 48 7.859 -10.292 0.168 1.00 0.00 H new ATOM 0 HA ALA A 48 6.572 -11.180 2.682 1.00 0.00 H new ATOM 0 HB1 ALA A 48 5.038 -12.422 1.192 1.00 0.00 H new ATOM 0 HB2 ALA A 48 4.992 -10.671 0.876 1.00 0.00 H new ATOM 0 HB3 ALA A 48 5.883 -11.751 -0.224 1.00 0.00 H new ATOM 665 N ARG A 49 7.774 -13.322 2.794 1.00 0.00 N ATOM 666 CA ARG A 49 8.543 -14.555 2.919 1.00 0.00 C ATOM 667 C ARG A 49 7.646 -15.776 2.735 1.00 0.00 C ATOM 668 O ARG A 49 7.901 -16.623 1.879 1.00 0.00 O ATOM 669 CB ARG A 49 9.232 -14.616 4.283 1.00 0.00 C ATOM 670 CG ARG A 49 10.517 -13.809 4.353 1.00 0.00 C ATOM 671 CD ARG A 49 11.724 -14.647 3.960 1.00 0.00 C ATOM 672 NE ARG A 49 11.900 -14.707 2.511 1.00 0.00 N ATOM 673 CZ ARG A 49 12.978 -15.211 1.922 1.00 0.00 C ATOM 674 NH1 ARG A 49 13.971 -15.697 2.654 1.00 0.00 N ATOM 675 NH2 ARG A 49 13.064 -15.231 0.598 1.00 0.00 N ATOM 0 H ARG A 49 7.313 -13.023 3.654 1.00 0.00 H new ATOM 0 HA ARG A 49 9.302 -14.561 2.136 1.00 0.00 H new ATOM 0 HB2 ARG A 49 8.543 -14.252 5.045 1.00 0.00 H new ATOM 0 HB3 ARG A 49 9.453 -15.656 4.523 1.00 0.00 H new ATOM 0 HG2 ARG A 49 10.442 -12.945 3.692 1.00 0.00 H new ATOM 0 HG3 ARG A 49 10.653 -13.426 5.364 1.00 0.00 H new ATOM 0 HD2 ARG A 49 12.621 -14.228 4.417 1.00 0.00 H new ATOM 0 HD3 ARG A 49 11.608 -15.657 4.353 1.00 0.00 H new ATOM 0 HE ARG A 49 11.154 -14.342 1.919 1.00 0.00 H new ATOM 0 HH11 ARG A 49 13.908 -15.684 3.672 1.00 0.00 H new ATOM 0 HH12 ARG A 49 14.798 -16.084 2.199 1.00 0.00 H new ATOM 0 HH21 ARG A 49 12.302 -14.859 0.032 1.00 0.00 H new ATOM 0 HH22 ARG A 49 13.893 -15.618 0.147 1.00 0.00 H new ATOM 689 N ASP A 50 6.595 -15.858 3.544 1.00 0.00 N ATOM 690 CA ASP A 50 5.660 -16.975 3.471 1.00 0.00 C ATOM 691 C ASP A 50 4.242 -16.479 3.206 1.00 0.00 C ATOM 692 O ASP A 50 3.269 -17.078 3.663 1.00 0.00 O ATOM 693 CB ASP A 50 5.696 -17.784 4.768 1.00 0.00 C ATOM 694 CG ASP A 50 6.806 -18.817 4.775 1.00 0.00 C ATOM 695 OD1 ASP A 50 7.154 -19.322 3.687 1.00 0.00 O ATOM 696 OD2 ASP A 50 7.329 -19.118 5.869 1.00 0.00 O ATOM 0 H ASP A 50 6.369 -15.165 4.257 1.00 0.00 H new ATOM 0 HA ASP A 50 5.963 -17.617 2.644 1.00 0.00 H new ATOM 0 HB2 ASP A 50 5.828 -17.107 5.612 1.00 0.00 H new ATOM 0 HB3 ASP A 50 4.737 -18.284 4.908 1.00 0.00 H new ATOM 701 N ALA A 51 4.133 -15.380 2.466 1.00 0.00 N ATOM 702 CA ALA A 51 2.834 -14.804 2.140 1.00 0.00 C ATOM 703 C ALA A 51 2.328 -15.318 0.796 1.00 0.00 C ATOM 704 O ALA A 51 1.132 -15.273 0.514 1.00 0.00 O ATOM 705 CB ALA A 51 2.919 -13.285 2.128 1.00 0.00 C ATOM 0 H ALA A 51 4.929 -14.871 2.081 1.00 0.00 H new ATOM 0 HA ALA A 51 2.124 -15.111 2.908 1.00 0.00 H new ATOM 0 HB1 ALA A 51 1.942 -12.868 1.883 1.00 0.00 H new ATOM 0 HB2 ALA A 51 3.229 -12.930 3.111 1.00 0.00 H new ATOM 0 HB3 ALA A 51 3.647 -12.967 1.381 1.00 0.00 H new ATOM 711 N GLY A 52 3.248 -15.805 -0.031 1.00 0.00 N ATOM 712 CA GLY A 52 2.875 -16.320 -1.336 1.00 0.00 C ATOM 713 C GLY A 52 2.369 -15.233 -2.264 1.00 0.00 C ATOM 714 O GLY A 52 2.859 -14.105 -2.234 1.00 0.00 O ATOM 0 H GLY A 52 4.245 -15.852 0.179 1.00 0.00 H new ATOM 0 HA2 GLY A 52 3.737 -16.809 -1.790 1.00 0.00 H new ATOM 0 HA3 GLY A 52 2.103 -17.080 -1.216 1.00 0.00 H new ATOM 718 N GLU A 53 1.386 -15.575 -3.091 1.00 0.00 N ATOM 719 CA GLU A 53 0.815 -14.620 -4.034 1.00 0.00 C ATOM 720 C GLU A 53 -0.663 -14.381 -3.740 1.00 0.00 C ATOM 721 O GLU A 53 -1.385 -15.298 -3.349 1.00 0.00 O ATOM 722 CB GLU A 53 0.987 -15.122 -5.469 1.00 0.00 C ATOM 723 CG GLU A 53 0.197 -14.322 -6.492 1.00 0.00 C ATOM 724 CD GLU A 53 0.574 -14.667 -7.920 1.00 0.00 C ATOM 725 OE1 GLU A 53 1.769 -14.554 -8.262 1.00 0.00 O ATOM 726 OE2 GLU A 53 -0.328 -15.051 -8.694 1.00 0.00 O ATOM 0 H GLU A 53 0.969 -16.505 -3.127 1.00 0.00 H new ATOM 0 HA GLU A 53 1.347 -13.675 -3.921 1.00 0.00 H new ATOM 0 HB2 GLU A 53 2.044 -15.089 -5.732 1.00 0.00 H new ATOM 0 HB3 GLU A 53 0.678 -16.166 -5.519 1.00 0.00 H new ATOM 0 HG2 GLU A 53 -0.868 -14.505 -6.347 1.00 0.00 H new ATOM 0 HG3 GLU A 53 0.364 -13.258 -6.323 1.00 0.00 H new ATOM 733 N GLY A 54 -1.106 -13.142 -3.930 1.00 0.00 N ATOM 734 CA GLY A 54 -2.495 -12.805 -3.680 1.00 0.00 C ATOM 735 C GLY A 54 -2.833 -11.388 -4.102 1.00 0.00 C ATOM 736 O GLY A 54 -1.959 -10.521 -4.147 1.00 0.00 O ATOM 0 H GLY A 54 -0.528 -12.366 -4.252 1.00 0.00 H new ATOM 0 HA2 GLY A 54 -3.137 -13.504 -4.216 1.00 0.00 H new ATOM 0 HA3 GLY A 54 -2.709 -12.926 -2.618 1.00 0.00 H new ATOM 740 N LEU A 55 -4.102 -11.152 -4.412 1.00 0.00 N ATOM 741 CA LEU A 55 -4.553 -9.830 -4.834 1.00 0.00 C ATOM 742 C LEU A 55 -4.129 -8.764 -3.830 1.00 0.00 C ATOM 743 O LEU A 55 -4.652 -8.701 -2.717 1.00 0.00 O ATOM 744 CB LEU A 55 -6.074 -9.817 -4.998 1.00 0.00 C ATOM 745 CG LEU A 55 -6.652 -8.655 -5.806 1.00 0.00 C ATOM 746 CD1 LEU A 55 -6.608 -8.966 -7.294 1.00 0.00 C ATOM 747 CD2 LEU A 55 -8.077 -8.355 -5.365 1.00 0.00 C ATOM 0 H LEU A 55 -4.837 -11.858 -4.379 1.00 0.00 H new ATOM 0 HA LEU A 55 -4.088 -9.604 -5.794 1.00 0.00 H new ATOM 0 HB2 LEU A 55 -6.376 -10.750 -5.474 1.00 0.00 H new ATOM 0 HB3 LEU A 55 -6.526 -9.804 -4.006 1.00 0.00 H new ATOM 0 HG LEU A 55 -6.042 -7.771 -5.622 1.00 0.00 H new ATOM 0 HD11 LEU A 55 -7.023 -8.128 -7.853 1.00 0.00 H new ATOM 0 HD12 LEU A 55 -5.575 -9.131 -7.601 1.00 0.00 H new ATOM 0 HD13 LEU A 55 -7.194 -9.863 -7.496 1.00 0.00 H new ATOM 0 HD21 LEU A 55 -8.472 -7.525 -5.951 1.00 0.00 H new ATOM 0 HD22 LEU A 55 -8.699 -9.237 -5.519 1.00 0.00 H new ATOM 0 HD23 LEU A 55 -8.082 -8.088 -4.308 1.00 0.00 H new ATOM 759 N LEU A 56 -3.179 -7.926 -4.231 1.00 0.00 N ATOM 760 CA LEU A 56 -2.686 -6.859 -3.367 1.00 0.00 C ATOM 761 C LEU A 56 -3.482 -5.575 -3.577 1.00 0.00 C ATOM 762 O LEU A 56 -3.767 -5.188 -4.710 1.00 0.00 O ATOM 763 CB LEU A 56 -1.202 -6.602 -3.637 1.00 0.00 C ATOM 764 CG LEU A 56 -0.565 -5.457 -2.850 1.00 0.00 C ATOM 765 CD1 LEU A 56 -0.205 -5.911 -1.444 1.00 0.00 C ATOM 766 CD2 LEU A 56 0.666 -4.932 -3.574 1.00 0.00 C ATOM 0 H LEU A 56 -2.735 -7.965 -5.148 1.00 0.00 H new ATOM 0 HA LEU A 56 -2.812 -7.177 -2.332 1.00 0.00 H new ATOM 0 HB2 LEU A 56 -0.650 -7.517 -3.420 1.00 0.00 H new ATOM 0 HB3 LEU A 56 -1.077 -6.399 -4.701 1.00 0.00 H new ATOM 0 HG LEU A 56 -1.290 -4.647 -2.774 1.00 0.00 H new ATOM 0 HD11 LEU A 56 0.247 -5.083 -0.899 1.00 0.00 H new ATOM 0 HD12 LEU A 56 -1.106 -6.238 -0.925 1.00 0.00 H new ATOM 0 HD13 LEU A 56 0.502 -6.738 -1.499 1.00 0.00 H new ATOM 0 HD21 LEU A 56 1.106 -4.117 -2.999 1.00 0.00 H new ATOM 0 HD22 LEU A 56 1.395 -5.735 -3.682 1.00 0.00 H new ATOM 0 HD23 LEU A 56 0.380 -4.567 -4.560 1.00 0.00 H new ATOM 778 N ALA A 57 -3.837 -4.918 -2.477 1.00 0.00 N ATOM 779 CA ALA A 57 -4.596 -3.676 -2.541 1.00 0.00 C ATOM 780 C ALA A 57 -4.002 -2.621 -1.614 1.00 0.00 C ATOM 781 O ALA A 57 -3.470 -2.942 -0.552 1.00 0.00 O ATOM 782 CB ALA A 57 -6.054 -3.930 -2.189 1.00 0.00 C ATOM 0 H ALA A 57 -3.611 -5.226 -1.531 1.00 0.00 H new ATOM 0 HA ALA A 57 -4.541 -3.297 -3.562 1.00 0.00 H new ATOM 0 HB1 ALA A 57 -6.609 -2.993 -2.241 1.00 0.00 H new ATOM 0 HB2 ALA A 57 -6.480 -4.644 -2.894 1.00 0.00 H new ATOM 0 HB3 ALA A 57 -6.119 -4.335 -1.179 1.00 0.00 H new ATOM 788 N VAL A 58 -4.096 -1.360 -2.023 1.00 0.00 N ATOM 789 CA VAL A 58 -3.569 -0.257 -1.229 1.00 0.00 C ATOM 790 C VAL A 58 -4.656 0.764 -0.915 1.00 0.00 C ATOM 791 O VAL A 58 -5.246 1.354 -1.820 1.00 0.00 O ATOM 792 CB VAL A 58 -2.408 0.451 -1.952 1.00 0.00 C ATOM 793 CG1 VAL A 58 -1.902 1.625 -1.128 1.00 0.00 C ATOM 794 CG2 VAL A 58 -1.284 -0.531 -2.244 1.00 0.00 C ATOM 0 H VAL A 58 -4.533 -1.077 -2.900 1.00 0.00 H new ATOM 0 HA VAL A 58 -3.199 -0.687 -0.298 1.00 0.00 H new ATOM 0 HB VAL A 58 -2.777 0.838 -2.902 1.00 0.00 H new ATOM 0 HG11 VAL A 58 -1.082 2.113 -1.655 1.00 0.00 H new ATOM 0 HG12 VAL A 58 -2.712 2.339 -0.976 1.00 0.00 H new ATOM 0 HG13 VAL A 58 -1.549 1.266 -0.161 1.00 0.00 H new ATOM 0 HG21 VAL A 58 -0.472 -0.013 -2.755 1.00 0.00 H new ATOM 0 HG22 VAL A 58 -0.915 -0.950 -1.308 1.00 0.00 H new ATOM 0 HG23 VAL A 58 -1.658 -1.334 -2.879 1.00 0.00 H new ATOM 804 N GLN A 59 -4.916 0.968 0.373 1.00 0.00 N ATOM 805 CA GLN A 59 -5.933 1.918 0.805 1.00 0.00 C ATOM 806 C GLN A 59 -5.314 3.039 1.635 1.00 0.00 C ATOM 807 O GLN A 59 -4.894 2.822 2.772 1.00 0.00 O ATOM 808 CB GLN A 59 -7.016 1.205 1.618 1.00 0.00 C ATOM 809 CG GLN A 59 -8.042 0.481 0.761 1.00 0.00 C ATOM 810 CD GLN A 59 -7.404 -0.394 -0.300 1.00 0.00 C ATOM 811 OE1 GLN A 59 -6.790 -1.416 0.009 1.00 0.00 O ATOM 812 NE2 GLN A 59 -7.545 0.003 -1.559 1.00 0.00 N ATOM 0 H GLN A 59 -4.436 0.488 1.134 1.00 0.00 H new ATOM 0 HA GLN A 59 -6.385 2.356 -0.085 1.00 0.00 H new ATOM 0 HB2 GLN A 59 -6.542 0.487 2.288 1.00 0.00 H new ATOM 0 HB3 GLN A 59 -7.528 1.935 2.244 1.00 0.00 H new ATOM 0 HG2 GLN A 59 -8.675 -0.134 1.401 1.00 0.00 H new ATOM 0 HG3 GLN A 59 -8.690 1.214 0.280 1.00 0.00 H new ATOM 0 HE21 GLN A 59 -8.062 0.857 -1.770 1.00 0.00 H new ATOM 0 HE22 GLN A 59 -7.136 -0.546 -2.316 1.00 0.00 H new ATOM 821 N ILE A 60 -5.262 4.235 1.058 1.00 0.00 N ATOM 822 CA ILE A 60 -4.695 5.389 1.745 1.00 0.00 C ATOM 823 C ILE A 60 -5.755 6.457 1.992 1.00 0.00 C ATOM 824 O ILE A 60 -6.530 6.797 1.098 1.00 0.00 O ATOM 825 CB ILE A 60 -3.535 6.008 0.942 1.00 0.00 C ATOM 826 CG1 ILE A 60 -2.425 4.977 0.731 1.00 0.00 C ATOM 827 CG2 ILE A 60 -2.995 7.238 1.655 1.00 0.00 C ATOM 828 CD1 ILE A 60 -1.474 5.334 -0.390 1.00 0.00 C ATOM 0 H ILE A 60 -5.605 4.430 0.117 1.00 0.00 H new ATOM 0 HA ILE A 60 -4.314 5.031 2.701 1.00 0.00 H new ATOM 0 HB ILE A 60 -3.911 6.314 -0.034 1.00 0.00 H new ATOM 0 HG12 ILE A 60 -1.859 4.870 1.656 1.00 0.00 H new ATOM 0 HG13 ILE A 60 -2.876 4.008 0.519 1.00 0.00 H new ATOM 0 HG21 ILE A 60 -2.176 7.664 1.076 1.00 0.00 H new ATOM 0 HG22 ILE A 60 -3.790 7.977 1.758 1.00 0.00 H new ATOM 0 HG23 ILE A 60 -2.632 6.956 2.643 1.00 0.00 H new ATOM 0 HD11 ILE A 60 -0.713 4.559 -0.483 1.00 0.00 H new ATOM 0 HD12 ILE A 60 -2.028 5.413 -1.326 1.00 0.00 H new ATOM 0 HD13 ILE A 60 -0.995 6.288 -0.171 1.00 0.00 H new ATOM 840 N THR A 61 -5.782 6.985 3.212 1.00 0.00 N ATOM 841 CA THR A 61 -6.745 8.015 3.578 1.00 0.00 C ATOM 842 C THR A 61 -6.088 9.115 4.403 1.00 0.00 C ATOM 843 O THR A 61 -4.942 8.981 4.833 1.00 0.00 O ATOM 844 CB THR A 61 -7.923 7.425 4.376 1.00 0.00 C ATOM 845 OG1 THR A 61 -7.451 6.406 5.264 1.00 0.00 O ATOM 846 CG2 THR A 61 -8.973 6.844 3.441 1.00 0.00 C ATOM 0 H THR A 61 -5.147 6.715 3.963 1.00 0.00 H new ATOM 0 HA THR A 61 -7.122 8.439 2.647 1.00 0.00 H new ATOM 0 HB THR A 61 -8.380 8.228 4.955 1.00 0.00 H new ATOM 0 HG1 THR A 61 -8.205 6.037 5.769 1.00 0.00 H new ATOM 0 HG21 THR A 61 -9.795 6.433 4.027 1.00 0.00 H new ATOM 0 HG22 THR A 61 -9.351 7.629 2.786 1.00 0.00 H new ATOM 0 HG23 THR A 61 -8.526 6.053 2.839 1.00 0.00 H new ATOM 854 N ASP A 62 -6.819 10.202 4.621 1.00 0.00 N ATOM 855 CA ASP A 62 -6.307 11.326 5.397 1.00 0.00 C ATOM 856 C ASP A 62 -6.908 11.336 6.800 1.00 0.00 C ATOM 857 O ASP A 62 -7.794 10.541 7.111 1.00 0.00 O ATOM 858 CB ASP A 62 -6.614 12.645 4.688 1.00 0.00 C ATOM 859 CG ASP A 62 -5.871 13.817 5.299 1.00 0.00 C ATOM 860 OD1 ASP A 62 -4.689 13.646 5.662 1.00 0.00 O ATOM 861 OD2 ASP A 62 -6.472 14.906 5.414 1.00 0.00 O ATOM 0 H ASP A 62 -7.769 10.329 4.271 1.00 0.00 H new ATOM 0 HA ASP A 62 -5.226 11.213 5.485 1.00 0.00 H new ATOM 0 HB2 ASP A 62 -6.347 12.559 3.635 1.00 0.00 H new ATOM 0 HB3 ASP A 62 -7.686 12.836 4.731 1.00 0.00 H new ATOM 866 N GLN A 63 -6.418 12.241 7.641 1.00 0.00 N ATOM 867 CA GLN A 63 -6.905 12.353 9.010 1.00 0.00 C ATOM 868 C GLN A 63 -8.428 12.282 9.054 1.00 0.00 C ATOM 869 O GLN A 63 -9.003 11.595 9.897 1.00 0.00 O ATOM 870 CB GLN A 63 -6.426 13.663 9.639 1.00 0.00 C ATOM 871 CG GLN A 63 -6.983 14.903 8.960 1.00 0.00 C ATOM 872 CD GLN A 63 -6.277 16.173 9.394 1.00 0.00 C ATOM 873 OE1 GLN A 63 -6.064 16.402 10.585 1.00 0.00 O ATOM 874 NE2 GLN A 63 -5.909 17.006 8.428 1.00 0.00 N ATOM 0 H GLN A 63 -5.684 12.907 7.398 1.00 0.00 H new ATOM 0 HA GLN A 63 -6.504 11.516 9.581 1.00 0.00 H new ATOM 0 HB2 GLN A 63 -6.710 13.676 10.691 1.00 0.00 H new ATOM 0 HB3 GLN A 63 -5.337 13.697 9.603 1.00 0.00 H new ATOM 0 HG2 GLN A 63 -6.892 14.793 7.879 1.00 0.00 H new ATOM 0 HG3 GLN A 63 -8.046 14.988 9.184 1.00 0.00 H new ATOM 0 HE21 GLN A 63 -6.106 16.776 7.454 1.00 0.00 H new ATOM 0 HE22 GLN A 63 -5.429 17.876 8.660 1.00 0.00 H new ATOM 883 N GLU A 64 -9.075 12.998 8.139 1.00 0.00 N ATOM 884 CA GLU A 64 -10.532 13.017 8.075 1.00 0.00 C ATOM 885 C GLU A 64 -11.059 11.792 7.332 1.00 0.00 C ATOM 886 O GLU A 64 -12.197 11.372 7.535 1.00 0.00 O ATOM 887 CB GLU A 64 -11.018 14.293 7.385 1.00 0.00 C ATOM 888 CG GLU A 64 -12.526 14.354 7.210 1.00 0.00 C ATOM 889 CD GLU A 64 -13.260 14.524 8.527 1.00 0.00 C ATOM 890 OE1 GLU A 64 -13.584 13.500 9.163 1.00 0.00 O ATOM 891 OE2 GLU A 64 -13.509 15.683 8.921 1.00 0.00 O ATOM 0 H GLU A 64 -8.614 13.572 7.433 1.00 0.00 H new ATOM 0 HA GLU A 64 -10.916 12.996 9.095 1.00 0.00 H new ATOM 0 HB2 GLU A 64 -10.693 15.156 7.966 1.00 0.00 H new ATOM 0 HB3 GLU A 64 -10.544 14.370 6.407 1.00 0.00 H new ATOM 0 HG2 GLU A 64 -12.778 15.183 6.548 1.00 0.00 H new ATOM 0 HG3 GLU A 64 -12.869 13.441 6.723 1.00 0.00 H new ATOM 898 N GLY A 65 -10.222 11.224 6.469 1.00 0.00 N ATOM 899 CA GLY A 65 -10.621 10.055 5.708 1.00 0.00 C ATOM 900 C GLY A 65 -10.877 10.372 4.248 1.00 0.00 C ATOM 901 O GLY A 65 -11.848 9.893 3.662 1.00 0.00 O ATOM 0 H GLY A 65 -9.274 11.553 6.284 1.00 0.00 H new ATOM 0 HA2 GLY A 65 -9.843 9.295 5.780 1.00 0.00 H new ATOM 0 HA3 GLY A 65 -11.523 9.630 6.148 1.00 0.00 H new ATOM 905 N LYS A 66 -10.005 11.183 3.659 1.00 0.00 N ATOM 906 CA LYS A 66 -10.140 11.565 2.259 1.00 0.00 C ATOM 907 C LYS A 66 -9.250 10.702 1.371 1.00 0.00 C ATOM 908 O LYS A 66 -8.192 10.229 1.785 1.00 0.00 O ATOM 909 CB LYS A 66 -9.784 13.042 2.075 1.00 0.00 C ATOM 910 CG LYS A 66 -10.761 13.992 2.746 1.00 0.00 C ATOM 911 CD LYS A 66 -10.827 15.326 2.022 1.00 0.00 C ATOM 912 CE LYS A 66 -9.741 16.276 2.503 1.00 0.00 C ATOM 913 NZ LYS A 66 -10.179 17.066 3.687 1.00 0.00 N ATOM 0 H LYS A 66 -9.196 11.589 4.130 1.00 0.00 H new ATOM 0 HA LYS A 66 -11.178 11.408 1.964 1.00 0.00 H new ATOM 0 HB2 LYS A 66 -8.786 13.219 2.475 1.00 0.00 H new ATOM 0 HB3 LYS A 66 -9.745 13.268 1.009 1.00 0.00 H new ATOM 0 HG2 LYS A 66 -11.752 13.540 2.769 1.00 0.00 H new ATOM 0 HG3 LYS A 66 -10.460 14.153 3.781 1.00 0.00 H new ATOM 0 HD2 LYS A 66 -10.721 15.164 0.949 1.00 0.00 H new ATOM 0 HD3 LYS A 66 -11.805 15.780 2.181 1.00 0.00 H new ATOM 0 HE2 LYS A 66 -8.847 15.707 2.757 1.00 0.00 H new ATOM 0 HE3 LYS A 66 -9.468 16.954 1.695 1.00 0.00 H new ATOM 0 HZ1 LYS A 66 -9.411 17.701 3.984 1.00 0.00 H new ATOM 0 HZ2 LYS A 66 -11.017 17.629 3.438 1.00 0.00 H new ATOM 0 HZ3 LYS A 66 -10.415 16.420 4.467 1.00 0.00 H new ATOM 927 N PRO A 67 -9.686 10.492 0.120 1.00 0.00 N ATOM 928 CA PRO A 67 -8.942 9.687 -0.853 1.00 0.00 C ATOM 929 C PRO A 67 -7.658 10.370 -1.311 1.00 0.00 C ATOM 930 O PRO A 67 -7.635 11.579 -1.545 1.00 0.00 O ATOM 931 CB PRO A 67 -9.921 9.549 -2.022 1.00 0.00 C ATOM 932 CG PRO A 67 -10.812 10.738 -1.912 1.00 0.00 C ATOM 933 CD PRO A 67 -10.939 11.025 -0.442 1.00 0.00 C ATOM 0 HA PRO A 67 -8.622 8.734 -0.433 1.00 0.00 H new ATOM 0 HB2 PRO A 67 -9.397 9.534 -2.978 1.00 0.00 H new ATOM 0 HB3 PRO A 67 -10.489 8.621 -1.955 1.00 0.00 H new ATOM 0 HG2 PRO A 67 -10.390 11.592 -2.441 1.00 0.00 H new ATOM 0 HG3 PRO A 67 -11.787 10.538 -2.356 1.00 0.00 H new ATOM 0 HD2 PRO A 67 -11.044 12.093 -0.249 1.00 0.00 H new ATOM 0 HD3 PRO A 67 -11.813 10.536 -0.011 1.00 0.00 H new ATOM 941 N LYS A 68 -6.590 9.590 -1.437 1.00 0.00 N ATOM 942 CA LYS A 68 -5.302 10.119 -1.868 1.00 0.00 C ATOM 943 C LYS A 68 -4.795 9.378 -3.102 1.00 0.00 C ATOM 944 O LYS A 68 -5.198 8.245 -3.366 1.00 0.00 O ATOM 945 CB LYS A 68 -4.277 10.008 -0.737 1.00 0.00 C ATOM 946 CG LYS A 68 -4.258 11.213 0.187 1.00 0.00 C ATOM 947 CD LYS A 68 -3.387 12.327 -0.368 1.00 0.00 C ATOM 948 CE LYS A 68 -3.860 13.693 0.104 1.00 0.00 C ATOM 949 NZ LYS A 68 -3.755 13.836 1.583 1.00 0.00 N ATOM 0 H LYS A 68 -6.591 8.588 -1.246 1.00 0.00 H new ATOM 0 HA LYS A 68 -5.437 11.169 -2.126 1.00 0.00 H new ATOM 0 HB2 LYS A 68 -4.491 9.114 -0.151 1.00 0.00 H new ATOM 0 HB3 LYS A 68 -3.285 9.876 -1.169 1.00 0.00 H new ATOM 0 HG2 LYS A 68 -5.274 11.581 0.328 1.00 0.00 H new ATOM 0 HG3 LYS A 68 -3.888 10.915 1.168 1.00 0.00 H new ATOM 0 HD2 LYS A 68 -2.354 12.171 -0.057 1.00 0.00 H new ATOM 0 HD3 LYS A 68 -3.401 12.293 -1.457 1.00 0.00 H new ATOM 0 HE2 LYS A 68 -3.267 14.470 -0.379 1.00 0.00 H new ATOM 0 HE3 LYS A 68 -4.895 13.845 -0.203 1.00 0.00 H new ATOM 0 HZ1 LYS A 68 -4.103 14.774 1.867 1.00 0.00 H new ATOM 0 HZ2 LYS A 68 -4.327 13.100 2.044 1.00 0.00 H new ATOM 0 HZ3 LYS A 68 -2.761 13.733 1.872 1.00 0.00 H new ATOM 963 N ARG A 69 -3.909 10.025 -3.852 1.00 0.00 N ATOM 964 CA ARG A 69 -3.347 9.427 -5.057 1.00 0.00 C ATOM 965 C ARG A 69 -2.232 8.445 -4.709 1.00 0.00 C ATOM 966 O ARG A 69 -1.236 8.817 -4.089 1.00 0.00 O ATOM 967 CB ARG A 69 -2.811 10.515 -5.990 1.00 0.00 C ATOM 968 CG ARG A 69 -2.457 10.007 -7.378 1.00 0.00 C ATOM 969 CD ARG A 69 -1.367 10.851 -8.019 1.00 0.00 C ATOM 970 NE ARG A 69 -1.912 12.016 -8.710 1.00 0.00 N ATOM 971 CZ ARG A 69 -2.586 11.944 -9.852 1.00 0.00 C ATOM 972 NH1 ARG A 69 -2.797 10.769 -10.429 1.00 0.00 N ATOM 973 NH2 ARG A 69 -3.051 13.050 -10.421 1.00 0.00 N ATOM 0 H ARG A 69 -3.565 10.963 -3.647 1.00 0.00 H new ATOM 0 HA ARG A 69 -4.142 8.881 -5.565 1.00 0.00 H new ATOM 0 HB2 ARG A 69 -3.557 11.304 -6.081 1.00 0.00 H new ATOM 0 HB3 ARG A 69 -1.926 10.964 -5.540 1.00 0.00 H new ATOM 0 HG2 ARG A 69 -2.126 8.971 -7.314 1.00 0.00 H new ATOM 0 HG3 ARG A 69 -3.346 10.019 -8.009 1.00 0.00 H new ATOM 0 HD2 ARG A 69 -0.665 11.180 -7.252 1.00 0.00 H new ATOM 0 HD3 ARG A 69 -0.804 10.241 -8.726 1.00 0.00 H new ATOM 0 HE ARG A 69 -1.767 12.935 -8.293 1.00 0.00 H new ATOM 0 HH11 ARG A 69 -2.441 9.917 -9.996 1.00 0.00 H new ATOM 0 HH12 ARG A 69 -3.315 10.717 -11.306 1.00 0.00 H new ATOM 0 HH21 ARG A 69 -2.891 13.956 -9.981 1.00 0.00 H new ATOM 0 HH22 ARG A 69 -3.569 12.993 -11.298 1.00 0.00 H new ATOM 987 N ALA A 70 -2.408 7.191 -5.110 1.00 0.00 N ATOM 988 CA ALA A 70 -1.417 6.156 -4.841 1.00 0.00 C ATOM 989 C ALA A 70 -0.964 5.482 -6.132 1.00 0.00 C ATOM 990 O ALA A 70 -1.776 5.199 -7.013 1.00 0.00 O ATOM 991 CB ALA A 70 -1.979 5.126 -3.873 1.00 0.00 C ATOM 0 H ALA A 70 -3.228 6.867 -5.623 1.00 0.00 H new ATOM 0 HA ALA A 70 -0.547 6.629 -4.385 1.00 0.00 H new ATOM 0 HB1 ALA A 70 -1.228 4.359 -3.681 1.00 0.00 H new ATOM 0 HB2 ALA A 70 -2.246 5.615 -2.936 1.00 0.00 H new ATOM 0 HB3 ALA A 70 -2.866 4.665 -4.307 1.00 0.00 H new ATOM 997 N ILE A 71 0.336 5.227 -6.236 1.00 0.00 N ATOM 998 CA ILE A 71 0.895 4.585 -7.419 1.00 0.00 C ATOM 999 C ILE A 71 1.277 3.137 -7.130 1.00 0.00 C ATOM 1000 O ILE A 71 1.653 2.794 -6.009 1.00 0.00 O ATOM 1001 CB ILE A 71 2.136 5.338 -7.934 1.00 0.00 C ATOM 1002 CG1 ILE A 71 1.777 6.786 -8.273 1.00 0.00 C ATOM 1003 CG2 ILE A 71 2.717 4.632 -9.150 1.00 0.00 C ATOM 1004 CD1 ILE A 71 2.935 7.747 -8.121 1.00 0.00 C ATOM 0 H ILE A 71 1.021 5.455 -5.516 1.00 0.00 H new ATOM 0 HA ILE A 71 0.121 4.608 -8.186 1.00 0.00 H new ATOM 0 HB ILE A 71 2.891 5.345 -7.147 1.00 0.00 H new ATOM 0 HG12 ILE A 71 1.411 6.830 -9.299 1.00 0.00 H new ATOM 0 HG13 ILE A 71 0.960 7.110 -7.628 1.00 0.00 H new ATOM 0 HG21 ILE A 71 3.593 5.176 -9.502 1.00 0.00 H new ATOM 0 HG22 ILE A 71 3.005 3.617 -8.878 1.00 0.00 H new ATOM 0 HG23 ILE A 71 1.969 4.597 -9.942 1.00 0.00 H new ATOM 0 HD11 ILE A 71 2.608 8.755 -8.378 1.00 0.00 H new ATOM 0 HD12 ILE A 71 3.288 7.732 -7.090 1.00 0.00 H new ATOM 0 HD13 ILE A 71 3.745 7.448 -8.786 1.00 0.00 H new ATOM 1016 N VAL A 72 1.178 2.290 -8.150 1.00 0.00 N ATOM 1017 CA VAL A 72 1.516 0.879 -8.007 1.00 0.00 C ATOM 1018 C VAL A 72 2.680 0.498 -8.914 1.00 0.00 C ATOM 1019 O VAL A 72 2.639 0.724 -10.124 1.00 0.00 O ATOM 1020 CB VAL A 72 0.310 -0.022 -8.332 1.00 0.00 C ATOM 1021 CG1 VAL A 72 -0.280 0.342 -9.686 1.00 0.00 C ATOM 1022 CG2 VAL A 72 0.715 -1.488 -8.294 1.00 0.00 C ATOM 0 H VAL A 72 0.867 2.557 -9.084 1.00 0.00 H new ATOM 0 HA VAL A 72 1.805 0.726 -6.967 1.00 0.00 H new ATOM 0 HB VAL A 72 -0.456 0.139 -7.574 1.00 0.00 H new ATOM 0 HG11 VAL A 72 -1.131 -0.305 -9.898 1.00 0.00 H new ATOM 0 HG12 VAL A 72 -0.609 1.381 -9.672 1.00 0.00 H new ATOM 0 HG13 VAL A 72 0.477 0.212 -10.460 1.00 0.00 H new ATOM 0 HG21 VAL A 72 -0.149 -2.110 -8.526 1.00 0.00 H new ATOM 0 HG22 VAL A 72 1.499 -1.668 -9.029 1.00 0.00 H new ATOM 0 HG23 VAL A 72 1.085 -1.737 -7.300 1.00 0.00 H new ATOM 1032 N HIS A 73 3.719 -0.084 -8.323 1.00 0.00 N ATOM 1033 CA HIS A 73 4.896 -0.498 -9.078 1.00 0.00 C ATOM 1034 C HIS A 73 5.086 -2.010 -9.000 1.00 0.00 C ATOM 1035 O HIS A 73 5.056 -2.594 -7.917 1.00 0.00 O ATOM 1036 CB HIS A 73 6.142 0.213 -8.551 1.00 0.00 C ATOM 1037 CG HIS A 73 6.276 1.624 -9.035 1.00 0.00 C ATOM 1038 ND1 HIS A 73 6.259 1.967 -10.370 1.00 0.00 N ATOM 1039 CD2 HIS A 73 6.430 2.783 -8.352 1.00 0.00 C ATOM 1040 CE1 HIS A 73 6.397 3.275 -10.489 1.00 0.00 C ATOM 1041 NE2 HIS A 73 6.502 3.794 -9.279 1.00 0.00 N ATOM 0 H HIS A 73 3.769 -0.279 -7.323 1.00 0.00 H new ATOM 0 HA HIS A 73 4.744 -0.222 -10.121 1.00 0.00 H new ATOM 0 HB2 HIS A 73 6.117 0.212 -7.461 1.00 0.00 H new ATOM 0 HB3 HIS A 73 7.026 -0.351 -8.850 1.00 0.00 H new ATOM 0 HD2 HIS A 73 6.486 2.892 -7.279 1.00 0.00 H new ATOM 0 HE1 HIS A 73 6.420 3.826 -11.417 1.00 0.00 H new ATOM 0 HE2 HIS A 73 6.618 4.785 -9.067 1.00 0.00 H new ATOM 1049 N ASP A 74 5.282 -2.637 -10.155 1.00 0.00 N ATOM 1050 CA ASP A 74 5.478 -4.080 -10.218 1.00 0.00 C ATOM 1051 C ASP A 74 6.953 -4.421 -10.411 1.00 0.00 C ATOM 1052 O ASP A 74 7.575 -3.997 -11.384 1.00 0.00 O ATOM 1053 CB ASP A 74 4.650 -4.680 -11.355 1.00 0.00 C ATOM 1054 CG ASP A 74 5.245 -4.392 -12.719 1.00 0.00 C ATOM 1055 OD1 ASP A 74 5.591 -3.220 -12.980 1.00 0.00 O ATOM 1056 OD2 ASP A 74 5.367 -5.337 -13.525 1.00 0.00 O ATOM 0 H ASP A 74 5.309 -2.168 -11.060 1.00 0.00 H new ATOM 0 HA ASP A 74 5.146 -4.508 -9.272 1.00 0.00 H new ATOM 0 HB2 ASP A 74 4.574 -5.758 -11.215 1.00 0.00 H new ATOM 0 HB3 ASP A 74 3.637 -4.281 -11.312 1.00 0.00 H new ATOM 1061 N ASN A 75 7.505 -5.187 -9.477 1.00 0.00 N ATOM 1062 CA ASN A 75 8.907 -5.583 -9.543 1.00 0.00 C ATOM 1063 C ASN A 75 9.044 -7.019 -10.042 1.00 0.00 C ATOM 1064 O ASN A 75 10.023 -7.368 -10.702 1.00 0.00 O ATOM 1065 CB ASN A 75 9.564 -5.444 -8.169 1.00 0.00 C ATOM 1066 CG ASN A 75 9.298 -4.092 -7.535 1.00 0.00 C ATOM 1067 OD1 ASN A 75 9.572 -3.050 -8.130 1.00 0.00 O ATOM 1068 ND2 ASN A 75 8.760 -4.104 -6.321 1.00 0.00 N ATOM 0 H ASN A 75 7.003 -5.546 -8.665 1.00 0.00 H new ATOM 0 HA ASN A 75 9.412 -4.922 -10.248 1.00 0.00 H new ATOM 0 HB2 ASN A 75 9.194 -6.230 -7.511 1.00 0.00 H new ATOM 0 HB3 ASN A 75 10.640 -5.591 -8.267 1.00 0.00 H new ATOM 0 HD21 ASN A 75 8.557 -3.225 -5.844 1.00 0.00 H new ATOM 0 HD22 ASN A 75 8.549 -4.992 -5.865 1.00 0.00 H new ATOM 1075 N LYS A 76 8.056 -7.847 -9.722 1.00 0.00 N ATOM 1076 CA LYS A 76 8.063 -9.245 -10.137 1.00 0.00 C ATOM 1077 C LYS A 76 9.311 -9.958 -9.626 1.00 0.00 C ATOM 1078 O LYS A 76 9.800 -10.898 -10.253 1.00 0.00 O ATOM 1079 CB LYS A 76 7.994 -9.345 -11.663 1.00 0.00 C ATOM 1080 CG LYS A 76 6.704 -8.800 -12.250 1.00 0.00 C ATOM 1081 CD LYS A 76 5.526 -9.712 -11.952 1.00 0.00 C ATOM 1082 CE LYS A 76 5.558 -10.964 -12.816 1.00 0.00 C ATOM 1083 NZ LYS A 76 4.858 -12.105 -12.165 1.00 0.00 N ATOM 0 H LYS A 76 7.239 -7.574 -9.176 1.00 0.00 H new ATOM 0 HA LYS A 76 7.187 -9.731 -9.707 1.00 0.00 H new ATOM 0 HB2 LYS A 76 8.836 -8.803 -12.093 1.00 0.00 H new ATOM 0 HB3 LYS A 76 8.104 -10.389 -11.956 1.00 0.00 H new ATOM 0 HG2 LYS A 76 6.509 -7.808 -11.843 1.00 0.00 H new ATOM 0 HG3 LYS A 76 6.814 -8.686 -13.329 1.00 0.00 H new ATOM 0 HD2 LYS A 76 5.540 -9.995 -10.899 1.00 0.00 H new ATOM 0 HD3 LYS A 76 4.594 -9.173 -12.125 1.00 0.00 H new ATOM 0 HE2 LYS A 76 5.092 -10.753 -13.778 1.00 0.00 H new ATOM 0 HE3 LYS A 76 6.593 -11.240 -13.017 1.00 0.00 H new ATOM 0 HZ1 LYS A 76 4.902 -12.939 -12.785 1.00 0.00 H new ATOM 0 HZ2 LYS A 76 5.319 -12.323 -11.258 1.00 0.00 H new ATOM 0 HZ3 LYS A 76 3.864 -11.851 -11.996 1.00 0.00 H new ATOM 1097 N ASP A 77 9.820 -9.505 -8.486 1.00 0.00 N ATOM 1098 CA ASP A 77 11.009 -10.102 -7.889 1.00 0.00 C ATOM 1099 C ASP A 77 10.734 -10.545 -6.456 1.00 0.00 C ATOM 1100 O ASP A 77 11.636 -10.571 -5.620 1.00 0.00 O ATOM 1101 CB ASP A 77 12.172 -9.109 -7.916 1.00 0.00 C ATOM 1102 CG ASP A 77 13.501 -9.766 -7.599 1.00 0.00 C ATOM 1103 OD1 ASP A 77 14.130 -10.311 -8.531 1.00 0.00 O ATOM 1104 OD2 ASP A 77 13.913 -9.735 -6.420 1.00 0.00 O ATOM 0 H ASP A 77 9.428 -8.726 -7.957 1.00 0.00 H new ATOM 0 HA ASP A 77 11.278 -10.981 -8.475 1.00 0.00 H new ATOM 0 HB2 ASP A 77 12.226 -8.643 -8.900 1.00 0.00 H new ATOM 0 HB3 ASP A 77 11.983 -8.313 -7.196 1.00 0.00 H new ATOM 1109 N GLY A 78 9.481 -10.892 -6.179 1.00 0.00 N ATOM 1110 CA GLY A 78 9.110 -11.328 -4.845 1.00 0.00 C ATOM 1111 C GLY A 78 8.873 -10.166 -3.900 1.00 0.00 C ATOM 1112 O GLY A 78 8.990 -10.312 -2.683 1.00 0.00 O ATOM 0 H GLY A 78 8.716 -10.879 -6.854 1.00 0.00 H new ATOM 0 HA2 GLY A 78 8.207 -11.935 -4.903 1.00 0.00 H new ATOM 0 HA3 GLY A 78 9.897 -11.965 -4.442 1.00 0.00 H new ATOM 1116 N THR A 79 8.542 -9.007 -4.461 1.00 0.00 N ATOM 1117 CA THR A 79 8.292 -7.815 -3.661 1.00 0.00 C ATOM 1118 C THR A 79 7.296 -6.889 -4.350 1.00 0.00 C ATOM 1119 O THR A 79 6.841 -7.167 -5.460 1.00 0.00 O ATOM 1120 CB THR A 79 9.594 -7.038 -3.388 1.00 0.00 C ATOM 1121 OG1 THR A 79 10.324 -6.863 -4.607 1.00 0.00 O ATOM 1122 CG2 THR A 79 10.458 -7.771 -2.373 1.00 0.00 C ATOM 0 H THR A 79 8.441 -8.869 -5.467 1.00 0.00 H new ATOM 0 HA THR A 79 7.874 -8.153 -2.713 1.00 0.00 H new ATOM 0 HB THR A 79 9.331 -6.062 -2.980 1.00 0.00 H new ATOM 0 HG1 THR A 79 11.149 -6.367 -4.426 1.00 0.00 H new ATOM 0 HG21 THR A 79 11.372 -7.204 -2.196 1.00 0.00 H new ATOM 0 HG22 THR A 79 9.909 -7.877 -1.437 1.00 0.00 H new ATOM 0 HG23 THR A 79 10.713 -8.759 -2.758 1.00 0.00 H new ATOM 1130 N TYR A 80 6.962 -5.788 -3.686 1.00 0.00 N ATOM 1131 CA TYR A 80 6.018 -4.822 -4.235 1.00 0.00 C ATOM 1132 C TYR A 80 6.304 -3.420 -3.706 1.00 0.00 C ATOM 1133 O TYR A 80 6.466 -3.220 -2.502 1.00 0.00 O ATOM 1134 CB TYR A 80 4.584 -5.226 -3.891 1.00 0.00 C ATOM 1135 CG TYR A 80 4.184 -6.574 -4.448 1.00 0.00 C ATOM 1136 CD1 TYR A 80 3.830 -6.717 -5.784 1.00 0.00 C ATOM 1137 CD2 TYR A 80 4.159 -7.703 -3.639 1.00 0.00 C ATOM 1138 CE1 TYR A 80 3.463 -7.946 -6.298 1.00 0.00 C ATOM 1139 CE2 TYR A 80 3.795 -8.936 -4.144 1.00 0.00 C ATOM 1140 CZ TYR A 80 3.448 -9.052 -5.474 1.00 0.00 C ATOM 1141 OH TYR A 80 3.083 -10.279 -5.981 1.00 0.00 O ATOM 0 H TYR A 80 7.331 -5.542 -2.767 1.00 0.00 H new ATOM 0 HA TYR A 80 6.136 -4.813 -5.319 1.00 0.00 H new ATOM 0 HB2 TYR A 80 4.470 -5.242 -2.807 1.00 0.00 H new ATOM 0 HB3 TYR A 80 3.900 -4.467 -4.272 1.00 0.00 H new ATOM 0 HD1 TYR A 80 3.842 -5.853 -6.432 1.00 0.00 H new ATOM 0 HD2 TYR A 80 4.429 -7.615 -2.597 1.00 0.00 H new ATOM 0 HE1 TYR A 80 3.190 -8.040 -7.339 1.00 0.00 H new ATOM 0 HE2 TYR A 80 3.782 -9.804 -3.501 1.00 0.00 H new ATOM 0 HH TYR A 80 3.126 -10.953 -5.270 1.00 0.00 H new ATOM 1151 N ALA A 81 6.365 -2.452 -4.615 1.00 0.00 N ATOM 1152 CA ALA A 81 6.628 -1.068 -4.241 1.00 0.00 C ATOM 1153 C ALA A 81 5.381 -0.207 -4.410 1.00 0.00 C ATOM 1154 O ALA A 81 4.564 -0.448 -5.298 1.00 0.00 O ATOM 1155 CB ALA A 81 7.776 -0.508 -5.068 1.00 0.00 C ATOM 0 H ALA A 81 6.236 -2.601 -5.616 1.00 0.00 H new ATOM 0 HA ALA A 81 6.910 -1.049 -3.188 1.00 0.00 H new ATOM 0 HB1 ALA A 81 7.962 0.526 -4.779 1.00 0.00 H new ATOM 0 HB2 ALA A 81 8.674 -1.101 -4.893 1.00 0.00 H new ATOM 0 HB3 ALA A 81 7.516 -0.548 -6.126 1.00 0.00 H new ATOM 1161 N VAL A 82 5.242 0.799 -3.552 1.00 0.00 N ATOM 1162 CA VAL A 82 4.094 1.697 -3.607 1.00 0.00 C ATOM 1163 C VAL A 82 4.505 3.132 -3.300 1.00 0.00 C ATOM 1164 O VAL A 82 4.971 3.435 -2.201 1.00 0.00 O ATOM 1165 CB VAL A 82 2.996 1.265 -2.618 1.00 0.00 C ATOM 1166 CG1 VAL A 82 1.780 2.171 -2.740 1.00 0.00 C ATOM 1167 CG2 VAL A 82 2.612 -0.189 -2.849 1.00 0.00 C ATOM 0 H VAL A 82 5.910 1.013 -2.811 1.00 0.00 H new ATOM 0 HA VAL A 82 3.699 1.645 -4.621 1.00 0.00 H new ATOM 0 HB VAL A 82 3.388 1.357 -1.605 1.00 0.00 H new ATOM 0 HG11 VAL A 82 1.015 1.850 -2.033 1.00 0.00 H new ATOM 0 HG12 VAL A 82 2.069 3.199 -2.520 1.00 0.00 H new ATOM 0 HG13 VAL A 82 1.384 2.114 -3.754 1.00 0.00 H new ATOM 0 HG21 VAL A 82 1.835 -0.477 -2.141 1.00 0.00 H new ATOM 0 HG22 VAL A 82 2.239 -0.310 -3.866 1.00 0.00 H new ATOM 0 HG23 VAL A 82 3.487 -0.824 -2.706 1.00 0.00 H new ATOM 1177 N THR A 83 4.327 4.015 -4.278 1.00 0.00 N ATOM 1178 CA THR A 83 4.680 5.420 -4.113 1.00 0.00 C ATOM 1179 C THR A 83 3.453 6.257 -3.768 1.00 0.00 C ATOM 1180 O THR A 83 2.354 5.996 -4.257 1.00 0.00 O ATOM 1181 CB THR A 83 5.335 5.988 -5.386 1.00 0.00 C ATOM 1182 OG1 THR A 83 6.371 5.109 -5.838 1.00 0.00 O ATOM 1183 CG2 THR A 83 5.913 7.371 -5.125 1.00 0.00 C ATOM 0 H THR A 83 3.940 3.782 -5.193 1.00 0.00 H new ATOM 0 HA THR A 83 5.395 5.473 -3.292 1.00 0.00 H new ATOM 0 HB THR A 83 4.569 6.071 -6.157 1.00 0.00 H new ATOM 0 HG1 THR A 83 6.781 5.476 -6.649 1.00 0.00 H new ATOM 0 HG21 THR A 83 6.370 7.752 -6.038 1.00 0.00 H new ATOM 0 HG22 THR A 83 5.116 8.045 -4.809 1.00 0.00 H new ATOM 0 HG23 THR A 83 6.667 7.308 -4.340 1.00 0.00 H new ATOM 1191 N TYR A 84 3.649 7.265 -2.925 1.00 0.00 N ATOM 1192 CA TYR A 84 2.558 8.140 -2.514 1.00 0.00 C ATOM 1193 C TYR A 84 3.074 9.539 -2.191 1.00 0.00 C ATOM 1194 O TYR A 84 4.106 9.697 -1.539 1.00 0.00 O ATOM 1195 CB TYR A 84 1.838 7.557 -1.298 1.00 0.00 C ATOM 1196 CG TYR A 84 2.521 7.866 0.016 1.00 0.00 C ATOM 1197 CD1 TYR A 84 2.304 9.074 0.666 1.00 0.00 C ATOM 1198 CD2 TYR A 84 3.384 6.950 0.605 1.00 0.00 C ATOM 1199 CE1 TYR A 84 2.926 9.362 1.866 1.00 0.00 C ATOM 1200 CE2 TYR A 84 4.009 7.229 1.806 1.00 0.00 C ATOM 1201 CZ TYR A 84 3.777 8.436 2.432 1.00 0.00 C ATOM 1202 OH TYR A 84 4.399 8.717 3.626 1.00 0.00 O ATOM 0 H TYR A 84 4.553 7.496 -2.513 1.00 0.00 H new ATOM 0 HA TYR A 84 1.854 8.214 -3.343 1.00 0.00 H new ATOM 0 HB2 TYR A 84 0.820 7.945 -1.269 1.00 0.00 H new ATOM 0 HB3 TYR A 84 1.764 6.476 -1.414 1.00 0.00 H new ATOM 0 HD1 TYR A 84 1.638 9.801 0.226 1.00 0.00 H new ATOM 0 HD2 TYR A 84 3.569 6.005 0.117 1.00 0.00 H new ATOM 0 HE1 TYR A 84 2.747 10.307 2.358 1.00 0.00 H new ATOM 0 HE2 TYR A 84 4.676 6.506 2.252 1.00 0.00 H new ATOM 0 HH TYR A 84 4.409 7.913 4.187 1.00 0.00 H new ATOM 1212 N ILE A 85 2.347 10.552 -2.652 1.00 0.00 N ATOM 1213 CA ILE A 85 2.729 11.938 -2.411 1.00 0.00 C ATOM 1214 C ILE A 85 1.718 12.638 -1.511 1.00 0.00 C ATOM 1215 O ILE A 85 0.651 13.069 -1.950 1.00 0.00 O ATOM 1216 CB ILE A 85 2.857 12.724 -3.729 1.00 0.00 C ATOM 1217 CG1 ILE A 85 3.948 12.111 -4.610 1.00 0.00 C ATOM 1218 CG2 ILE A 85 3.158 14.188 -3.446 1.00 0.00 C ATOM 1219 CD1 ILE A 85 3.782 12.421 -6.081 1.00 0.00 C ATOM 0 H ILE A 85 1.491 10.439 -3.194 1.00 0.00 H new ATOM 0 HA ILE A 85 3.699 11.916 -1.915 1.00 0.00 H new ATOM 0 HB ILE A 85 1.909 12.665 -4.263 1.00 0.00 H new ATOM 0 HG12 ILE A 85 4.920 12.476 -4.278 1.00 0.00 H new ATOM 0 HG13 ILE A 85 3.950 11.030 -4.473 1.00 0.00 H new ATOM 0 HG21 ILE A 85 3.246 14.730 -4.388 1.00 0.00 H new ATOM 0 HG22 ILE A 85 2.350 14.618 -2.854 1.00 0.00 H new ATOM 0 HG23 ILE A 85 4.094 14.267 -2.894 1.00 0.00 H new ATOM 0 HD11 ILE A 85 4.590 11.955 -6.645 1.00 0.00 H new ATOM 0 HD12 ILE A 85 2.825 12.032 -6.429 1.00 0.00 H new ATOM 0 HD13 ILE A 85 3.811 13.500 -6.231 1.00 0.00 H new ATOM 1231 N PRO A 86 2.059 12.758 -0.219 1.00 0.00 N ATOM 1232 CA PRO A 86 1.195 13.409 0.771 1.00 0.00 C ATOM 1233 C PRO A 86 1.098 14.915 0.555 1.00 0.00 C ATOM 1234 O PRO A 86 2.037 15.655 0.849 1.00 0.00 O ATOM 1235 CB PRO A 86 1.887 13.102 2.101 1.00 0.00 C ATOM 1236 CG PRO A 86 3.317 12.889 1.744 1.00 0.00 C ATOM 1237 CD PRO A 86 3.314 12.269 0.375 1.00 0.00 C ATOM 0 HA PRO A 86 0.168 13.048 0.716 1.00 0.00 H new ATOM 0 HB2 PRO A 86 1.773 13.926 2.806 1.00 0.00 H new ATOM 0 HB3 PRO A 86 1.461 12.217 2.574 1.00 0.00 H new ATOM 0 HG2 PRO A 86 3.864 13.832 1.744 1.00 0.00 H new ATOM 0 HG3 PRO A 86 3.807 12.236 2.467 1.00 0.00 H new ATOM 0 HD2 PRO A 86 4.182 12.578 -0.208 1.00 0.00 H new ATOM 0 HD3 PRO A 86 3.336 11.180 0.427 1.00 0.00 H new ATOM 1245 N ASP A 87 -0.042 15.363 0.040 1.00 0.00 N ATOM 1246 CA ASP A 87 -0.262 16.782 -0.213 1.00 0.00 C ATOM 1247 C ASP A 87 -0.548 17.528 1.086 1.00 0.00 C ATOM 1248 O ASP A 87 0.135 18.495 1.423 1.00 0.00 O ATOM 1249 CB ASP A 87 -1.421 16.973 -1.192 1.00 0.00 C ATOM 1250 CG ASP A 87 -1.957 18.391 -1.185 1.00 0.00 C ATOM 1251 OD1 ASP A 87 -2.527 18.805 -0.154 1.00 0.00 O ATOM 1252 OD2 ASP A 87 -1.805 19.088 -2.210 1.00 0.00 O ATOM 0 H ASP A 87 -0.828 14.763 -0.210 1.00 0.00 H new ATOM 0 HA ASP A 87 0.647 17.193 -0.653 1.00 0.00 H new ATOM 0 HB2 ASP A 87 -1.088 16.718 -2.198 1.00 0.00 H new ATOM 0 HB3 ASP A 87 -2.225 16.282 -0.938 1.00 0.00 H new ATOM 1257 N LYS A 88 -1.564 17.073 1.812 1.00 0.00 N ATOM 1258 CA LYS A 88 -1.942 17.696 3.075 1.00 0.00 C ATOM 1259 C LYS A 88 -0.963 17.318 4.182 1.00 0.00 C ATOM 1260 O LYS A 88 -0.113 16.446 4.004 1.00 0.00 O ATOM 1261 CB LYS A 88 -3.360 17.278 3.469 1.00 0.00 C ATOM 1262 CG LYS A 88 -4.446 18.044 2.733 1.00 0.00 C ATOM 1263 CD LYS A 88 -4.757 19.366 3.416 1.00 0.00 C ATOM 1264 CE LYS A 88 -5.258 20.403 2.422 1.00 0.00 C ATOM 1265 NZ LYS A 88 -6.656 20.126 1.990 1.00 0.00 N ATOM 0 H LYS A 88 -2.141 16.274 1.547 1.00 0.00 H new ATOM 0 HA LYS A 88 -1.913 18.777 2.941 1.00 0.00 H new ATOM 0 HB2 LYS A 88 -3.483 16.213 3.275 1.00 0.00 H new ATOM 0 HB3 LYS A 88 -3.488 17.423 4.542 1.00 0.00 H new ATOM 0 HG2 LYS A 88 -4.130 18.229 1.706 1.00 0.00 H new ATOM 0 HG3 LYS A 88 -5.350 17.438 2.683 1.00 0.00 H new ATOM 0 HD2 LYS A 88 -5.509 19.209 4.190 1.00 0.00 H new ATOM 0 HD3 LYS A 88 -3.862 19.740 3.913 1.00 0.00 H new ATOM 0 HE2 LYS A 88 -5.207 21.394 2.874 1.00 0.00 H new ATOM 0 HE3 LYS A 88 -4.604 20.416 1.550 1.00 0.00 H new ATOM 0 HZ1 LYS A 88 -6.961 20.854 1.313 1.00 0.00 H new ATOM 0 HZ2 LYS A 88 -6.700 19.191 1.536 1.00 0.00 H new ATOM 0 HZ3 LYS A 88 -7.284 20.139 2.819 1.00 0.00 H new ATOM 1279 N THR A 89 -1.090 17.980 5.329 1.00 0.00 N ATOM 1280 CA THR A 89 -0.218 17.713 6.465 1.00 0.00 C ATOM 1281 C THR A 89 -1.013 17.198 7.660 1.00 0.00 C ATOM 1282 O THR A 89 -2.117 17.667 7.932 1.00 0.00 O ATOM 1283 CB THR A 89 0.558 18.975 6.886 1.00 0.00 C ATOM 1284 OG1 THR A 89 -0.357 20.014 7.252 1.00 0.00 O ATOM 1285 CG2 THR A 89 1.457 19.459 5.758 1.00 0.00 C ATOM 0 H THR A 89 -1.789 18.705 5.495 1.00 0.00 H new ATOM 0 HA THR A 89 0.490 16.948 6.146 1.00 0.00 H new ATOM 0 HB THR A 89 1.181 18.722 7.743 1.00 0.00 H new ATOM 0 HG1 THR A 89 0.145 20.812 7.520 1.00 0.00 H new ATOM 0 HG21 THR A 89 1.995 20.351 6.079 1.00 0.00 H new ATOM 0 HG22 THR A 89 2.172 18.677 5.501 1.00 0.00 H new ATOM 0 HG23 THR A 89 0.849 19.696 4.885 1.00 0.00 H new ATOM 1293 N GLY A 90 -0.443 16.229 8.370 1.00 0.00 N ATOM 1294 CA GLY A 90 -1.113 15.666 9.528 1.00 0.00 C ATOM 1295 C GLY A 90 -0.837 14.185 9.694 1.00 0.00 C ATOM 1296 O GLY A 90 0.317 13.756 9.681 1.00 0.00 O ATOM 0 H GLY A 90 0.470 15.824 8.164 1.00 0.00 H new ATOM 0 HA2 GLY A 90 -0.789 16.195 10.424 1.00 0.00 H new ATOM 0 HA3 GLY A 90 -2.187 15.824 9.435 1.00 0.00 H new ATOM 1300 N ARG A 91 -1.898 13.401 9.853 1.00 0.00 N ATOM 1301 CA ARG A 91 -1.764 11.959 10.027 1.00 0.00 C ATOM 1302 C ARG A 91 -2.328 11.212 8.822 1.00 0.00 C ATOM 1303 O ARG A 91 -3.273 11.673 8.179 1.00 0.00 O ATOM 1304 CB ARG A 91 -2.481 11.508 11.301 1.00 0.00 C ATOM 1305 CG ARG A 91 -3.992 11.439 11.158 1.00 0.00 C ATOM 1306 CD ARG A 91 -4.685 11.545 12.507 1.00 0.00 C ATOM 1307 NE ARG A 91 -4.279 10.477 13.416 1.00 0.00 N ATOM 1308 CZ ARG A 91 -5.023 10.054 14.433 1.00 0.00 C ATOM 1309 NH1 ARG A 91 -6.205 10.607 14.667 1.00 0.00 N ATOM 1310 NH2 ARG A 91 -4.585 9.077 15.216 1.00 0.00 N ATOM 0 H ARG A 91 -2.860 13.740 9.865 1.00 0.00 H new ATOM 0 HA ARG A 91 -0.703 11.726 10.114 1.00 0.00 H new ATOM 0 HB2 ARG A 91 -2.107 10.526 11.590 1.00 0.00 H new ATOM 0 HB3 ARG A 91 -2.232 12.195 12.110 1.00 0.00 H new ATOM 0 HG2 ARG A 91 -4.334 12.244 10.508 1.00 0.00 H new ATOM 0 HG3 ARG A 91 -4.271 10.501 10.677 1.00 0.00 H new ATOM 0 HD2 ARG A 91 -4.456 12.511 12.957 1.00 0.00 H new ATOM 0 HD3 ARG A 91 -5.765 11.508 12.364 1.00 0.00 H new ATOM 0 HE ARG A 91 -3.375 10.031 13.262 1.00 0.00 H new ATOM 0 HH11 ARG A 91 -6.545 11.358 14.066 1.00 0.00 H new ATOM 0 HH12 ARG A 91 -6.775 10.281 15.448 1.00 0.00 H new ATOM 0 HH21 ARG A 91 -3.676 8.649 15.038 1.00 0.00 H new ATOM 0 HH22 ARG A 91 -5.157 8.753 15.996 1.00 0.00 H new ATOM 1324 N TYR A 92 -1.743 10.058 8.521 1.00 0.00 N ATOM 1325 CA TYR A 92 -2.185 9.249 7.391 1.00 0.00 C ATOM 1326 C TYR A 92 -2.428 7.804 7.818 1.00 0.00 C ATOM 1327 O TYR A 92 -1.668 7.243 8.607 1.00 0.00 O ATOM 1328 CB TYR A 92 -1.148 9.293 6.268 1.00 0.00 C ATOM 1329 CG TYR A 92 -1.182 10.573 5.464 1.00 0.00 C ATOM 1330 CD1 TYR A 92 -2.335 10.968 4.798 1.00 0.00 C ATOM 1331 CD2 TYR A 92 -0.060 11.387 5.369 1.00 0.00 C ATOM 1332 CE1 TYR A 92 -2.370 12.137 4.061 1.00 0.00 C ATOM 1333 CE2 TYR A 92 -0.086 12.558 4.637 1.00 0.00 C ATOM 1334 CZ TYR A 92 -1.243 12.928 3.984 1.00 0.00 C ATOM 1335 OH TYR A 92 -1.273 14.093 3.252 1.00 0.00 O ATOM 0 H TYR A 92 -0.962 9.662 9.044 1.00 0.00 H new ATOM 0 HA TYR A 92 -3.124 9.664 7.025 1.00 0.00 H new ATOM 0 HB2 TYR A 92 -0.154 9.170 6.698 1.00 0.00 H new ATOM 0 HB3 TYR A 92 -1.313 8.449 5.599 1.00 0.00 H new ATOM 0 HD1 TYR A 92 -3.220 10.351 4.857 1.00 0.00 H new ATOM 0 HD2 TYR A 92 0.849 11.099 5.877 1.00 0.00 H new ATOM 0 HE1 TYR A 92 -3.275 12.429 3.549 1.00 0.00 H new ATOM 0 HE2 TYR A 92 0.795 13.180 4.576 1.00 0.00 H new ATOM 0 HH TYR A 92 -0.787 14.795 3.734 1.00 0.00 H new ATOM 1345 N MET A 93 -3.492 7.209 7.290 1.00 0.00 N ATOM 1346 CA MET A 93 -3.834 5.829 7.614 1.00 0.00 C ATOM 1347 C MET A 93 -3.731 4.938 6.380 1.00 0.00 C ATOM 1348 O MET A 93 -4.452 5.133 5.401 1.00 0.00 O ATOM 1349 CB MET A 93 -5.248 5.754 8.194 1.00 0.00 C ATOM 1350 CG MET A 93 -5.746 4.333 8.400 1.00 0.00 C ATOM 1351 SD MET A 93 -7.378 4.272 9.165 1.00 0.00 S ATOM 1352 CE MET A 93 -6.970 4.668 10.864 1.00 0.00 C ATOM 0 H MET A 93 -4.132 7.660 6.636 1.00 0.00 H new ATOM 0 HA MET A 93 -3.123 5.471 8.359 1.00 0.00 H new ATOM 0 HB2 MET A 93 -5.268 6.279 9.149 1.00 0.00 H new ATOM 0 HB3 MET A 93 -5.933 6.277 7.527 1.00 0.00 H new ATOM 0 HG2 MET A 93 -5.781 3.821 7.438 1.00 0.00 H new ATOM 0 HG3 MET A 93 -5.036 3.790 9.024 1.00 0.00 H new ATOM 0 HE1 MET A 93 -7.836 4.480 11.499 1.00 0.00 H new ATOM 0 HE2 MET A 93 -6.137 4.046 11.193 1.00 0.00 H new ATOM 0 HE3 MET A 93 -6.689 5.719 10.935 1.00 0.00 H new ATOM 1362 N ILE A 94 -2.829 3.964 6.433 1.00 0.00 N ATOM 1363 CA ILE A 94 -2.633 3.044 5.319 1.00 0.00 C ATOM 1364 C ILE A 94 -3.112 1.641 5.674 1.00 0.00 C ATOM 1365 O ILE A 94 -2.591 1.009 6.592 1.00 0.00 O ATOM 1366 CB ILE A 94 -1.153 2.978 4.898 1.00 0.00 C ATOM 1367 CG1 ILE A 94 -0.633 4.376 4.560 1.00 0.00 C ATOM 1368 CG2 ILE A 94 -0.981 2.042 3.711 1.00 0.00 C ATOM 1369 CD1 ILE A 94 0.876 4.473 4.546 1.00 0.00 C ATOM 0 H ILE A 94 -2.223 3.791 7.235 1.00 0.00 H new ATOM 0 HA ILE A 94 -3.223 3.426 4.486 1.00 0.00 H new ATOM 0 HB ILE A 94 -0.571 2.586 5.732 1.00 0.00 H new ATOM 0 HG12 ILE A 94 -1.017 4.671 3.583 1.00 0.00 H new ATOM 0 HG13 ILE A 94 -1.028 5.087 5.286 1.00 0.00 H new ATOM 0 HG21 ILE A 94 0.070 2.006 3.425 1.00 0.00 H new ATOM 0 HG22 ILE A 94 -1.317 1.042 3.985 1.00 0.00 H new ATOM 0 HG23 ILE A 94 -1.573 2.407 2.871 1.00 0.00 H new ATOM 0 HD11 ILE A 94 1.173 5.492 4.299 1.00 0.00 H new ATOM 0 HD12 ILE A 94 1.267 4.209 5.529 1.00 0.00 H new ATOM 0 HD13 ILE A 94 1.278 3.787 3.800 1.00 0.00 H new ATOM 1381 N GLY A 95 -4.109 1.158 4.938 1.00 0.00 N ATOM 1382 CA GLY A 95 -4.641 -0.169 5.188 1.00 0.00 C ATOM 1383 C GLY A 95 -4.248 -1.164 4.115 1.00 0.00 C ATOM 1384 O GLY A 95 -4.938 -1.304 3.105 1.00 0.00 O ATOM 0 H GLY A 95 -4.558 1.662 4.173 1.00 0.00 H new ATOM 0 HA2 GLY A 95 -4.285 -0.523 6.155 1.00 0.00 H new ATOM 0 HA3 GLY A 95 -5.728 -0.116 5.249 1.00 0.00 H new ATOM 1388 N VAL A 96 -3.134 -1.857 4.331 1.00 0.00 N ATOM 1389 CA VAL A 96 -2.649 -2.844 3.374 1.00 0.00 C ATOM 1390 C VAL A 96 -3.420 -4.153 3.496 1.00 0.00 C ATOM 1391 O VAL A 96 -3.827 -4.548 4.590 1.00 0.00 O ATOM 1392 CB VAL A 96 -1.148 -3.124 3.569 1.00 0.00 C ATOM 1393 CG1 VAL A 96 -0.667 -4.172 2.576 1.00 0.00 C ATOM 1394 CG2 VAL A 96 -0.344 -1.840 3.432 1.00 0.00 C ATOM 0 H VAL A 96 -2.550 -1.753 5.161 1.00 0.00 H new ATOM 0 HA VAL A 96 -2.806 -2.425 2.380 1.00 0.00 H new ATOM 0 HB VAL A 96 -0.997 -3.515 4.575 1.00 0.00 H new ATOM 0 HG11 VAL A 96 0.396 -4.357 2.729 1.00 0.00 H new ATOM 0 HG12 VAL A 96 -1.222 -5.098 2.727 1.00 0.00 H new ATOM 0 HG13 VAL A 96 -0.830 -3.813 1.560 1.00 0.00 H new ATOM 0 HG21 VAL A 96 0.715 -2.057 3.573 1.00 0.00 H new ATOM 0 HG22 VAL A 96 -0.499 -1.418 2.439 1.00 0.00 H new ATOM 0 HG23 VAL A 96 -0.671 -1.124 4.186 1.00 0.00 H new ATOM 1404 N THR A 97 -3.618 -4.825 2.366 1.00 0.00 N ATOM 1405 CA THR A 97 -4.341 -6.091 2.346 1.00 0.00 C ATOM 1406 C THR A 97 -3.751 -7.044 1.314 1.00 0.00 C ATOM 1407 O THR A 97 -3.276 -6.618 0.261 1.00 0.00 O ATOM 1408 CB THR A 97 -5.835 -5.879 2.039 1.00 0.00 C ATOM 1409 OG1 THR A 97 -5.984 -5.059 0.874 1.00 0.00 O ATOM 1410 CG2 THR A 97 -6.544 -5.229 3.217 1.00 0.00 C ATOM 0 H THR A 97 -3.288 -4.514 1.453 1.00 0.00 H new ATOM 0 HA THR A 97 -4.241 -6.529 3.339 1.00 0.00 H new ATOM 0 HB THR A 97 -6.287 -6.854 1.857 1.00 0.00 H new ATOM 0 HG1 THR A 97 -6.931 -5.009 0.628 1.00 0.00 H new ATOM 0 HG21 THR A 97 -7.598 -5.090 2.976 1.00 0.00 H new ATOM 0 HG22 THR A 97 -6.454 -5.870 4.094 1.00 0.00 H new ATOM 0 HG23 THR A 97 -6.089 -4.261 3.427 1.00 0.00 H new ATOM 1418 N TYR A 98 -3.784 -8.336 1.622 1.00 0.00 N ATOM 1419 CA TYR A 98 -3.251 -9.351 0.721 1.00 0.00 C ATOM 1420 C TYR A 98 -4.236 -10.504 0.554 1.00 0.00 C ATOM 1421 O TYR A 98 -4.517 -11.237 1.502 1.00 0.00 O ATOM 1422 CB TYR A 98 -1.915 -9.878 1.246 1.00 0.00 C ATOM 1423 CG TYR A 98 -0.968 -10.324 0.155 1.00 0.00 C ATOM 1424 CD1 TYR A 98 -0.287 -9.396 -0.623 1.00 0.00 C ATOM 1425 CD2 TYR A 98 -0.754 -11.673 -0.098 1.00 0.00 C ATOM 1426 CE1 TYR A 98 0.578 -9.799 -1.622 1.00 0.00 C ATOM 1427 CE2 TYR A 98 0.110 -12.085 -1.094 1.00 0.00 C ATOM 1428 CZ TYR A 98 0.774 -11.144 -1.853 1.00 0.00 C ATOM 1429 OH TYR A 98 1.636 -11.550 -2.846 1.00 0.00 O ATOM 0 H TYR A 98 -4.174 -8.705 2.489 1.00 0.00 H new ATOM 0 HA TYR A 98 -3.094 -8.889 -0.253 1.00 0.00 H new ATOM 0 HB2 TYR A 98 -1.434 -9.099 1.837 1.00 0.00 H new ATOM 0 HB3 TYR A 98 -2.103 -10.716 1.917 1.00 0.00 H new ATOM 0 HD1 TYR A 98 -0.436 -8.342 -0.444 1.00 0.00 H new ATOM 0 HD2 TYR A 98 -1.272 -12.413 0.494 1.00 0.00 H new ATOM 0 HE1 TYR A 98 1.098 -9.064 -2.219 1.00 0.00 H new ATOM 0 HE2 TYR A 98 0.265 -13.138 -1.277 1.00 0.00 H new ATOM 0 HH TYR A 98 2.125 -12.346 -2.550 1.00 0.00 H new ATOM 1439 N GLY A 99 -4.757 -10.658 -0.659 1.00 0.00 N ATOM 1440 CA GLY A 99 -5.705 -11.723 -0.929 1.00 0.00 C ATOM 1441 C GLY A 99 -7.020 -11.528 -0.202 1.00 0.00 C ATOM 1442 O GLY A 99 -7.554 -12.463 0.393 1.00 0.00 O ATOM 0 H GLY A 99 -4.540 -10.064 -1.460 1.00 0.00 H new ATOM 0 HA2 GLY A 99 -5.891 -11.776 -2.002 1.00 0.00 H new ATOM 0 HA3 GLY A 99 -5.268 -12.677 -0.634 1.00 0.00 H new ATOM 1446 N GLY A 100 -7.544 -10.306 -0.248 1.00 0.00 N ATOM 1447 CA GLY A 100 -8.800 -10.013 0.418 1.00 0.00 C ATOM 1448 C GLY A 100 -8.718 -10.198 1.920 1.00 0.00 C ATOM 1449 O GLY A 100 -9.681 -10.631 2.552 1.00 0.00 O ATOM 0 H GLY A 100 -7.121 -9.515 -0.734 1.00 0.00 H new ATOM 0 HA2 GLY A 100 -9.094 -8.987 0.197 1.00 0.00 H new ATOM 0 HA3 GLY A 100 -9.580 -10.661 0.017 1.00 0.00 H new ATOM 1453 N ASP A 101 -7.564 -9.872 2.492 1.00 0.00 N ATOM 1454 CA ASP A 101 -7.359 -10.005 3.930 1.00 0.00 C ATOM 1455 C ASP A 101 -6.487 -8.873 4.462 1.00 0.00 C ATOM 1456 O ASP A 101 -5.603 -8.376 3.764 1.00 0.00 O ATOM 1457 CB ASP A 101 -6.716 -11.355 4.251 1.00 0.00 C ATOM 1458 CG ASP A 101 -7.121 -11.879 5.616 1.00 0.00 C ATOM 1459 OD1 ASP A 101 -6.996 -11.123 6.602 1.00 0.00 O ATOM 1460 OD2 ASP A 101 -7.562 -13.044 5.696 1.00 0.00 O ATOM 0 H ASP A 101 -6.756 -9.514 1.982 1.00 0.00 H new ATOM 0 HA ASP A 101 -8.332 -9.949 4.418 1.00 0.00 H new ATOM 0 HB2 ASP A 101 -6.999 -12.080 3.488 1.00 0.00 H new ATOM 0 HB3 ASP A 101 -5.631 -11.257 4.210 1.00 0.00 H new ATOM 1465 N ASP A 102 -6.743 -8.468 5.701 1.00 0.00 N ATOM 1466 CA ASP A 102 -5.981 -7.394 6.327 1.00 0.00 C ATOM 1467 C ASP A 102 -4.897 -7.957 7.240 1.00 0.00 C ATOM 1468 O ASP A 102 -5.153 -8.855 8.043 1.00 0.00 O ATOM 1469 CB ASP A 102 -6.912 -6.478 7.124 1.00 0.00 C ATOM 1470 CG ASP A 102 -7.990 -7.247 7.861 1.00 0.00 C ATOM 1471 OD1 ASP A 102 -8.840 -7.870 7.189 1.00 0.00 O ATOM 1472 OD2 ASP A 102 -7.985 -7.228 9.109 1.00 0.00 O ATOM 0 H ASP A 102 -7.472 -8.867 6.292 1.00 0.00 H new ATOM 0 HA ASP A 102 -5.501 -6.815 5.538 1.00 0.00 H new ATOM 0 HB2 ASP A 102 -6.325 -5.904 7.841 1.00 0.00 H new ATOM 0 HB3 ASP A 102 -7.379 -5.762 6.448 1.00 0.00 H new ATOM 1477 N ILE A 103 -3.687 -7.424 7.111 1.00 0.00 N ATOM 1478 CA ILE A 103 -2.564 -7.874 7.925 1.00 0.00 C ATOM 1479 C ILE A 103 -2.713 -7.412 9.371 1.00 0.00 C ATOM 1480 O ILE A 103 -3.307 -6.373 9.658 1.00 0.00 O ATOM 1481 CB ILE A 103 -1.223 -7.359 7.369 1.00 0.00 C ATOM 1482 CG1 ILE A 103 -1.316 -5.863 7.060 1.00 0.00 C ATOM 1483 CG2 ILE A 103 -0.832 -8.140 6.123 1.00 0.00 C ATOM 1484 CD1 ILE A 103 0.023 -5.224 6.764 1.00 0.00 C ATOM 0 H ILE A 103 -3.459 -6.680 6.451 1.00 0.00 H new ATOM 0 HA ILE A 103 -2.567 -8.963 7.892 1.00 0.00 H new ATOM 0 HB ILE A 103 -0.451 -7.508 8.124 1.00 0.00 H new ATOM 0 HG12 ILE A 103 -1.976 -5.717 6.205 1.00 0.00 H new ATOM 0 HG13 ILE A 103 -1.774 -5.353 7.907 1.00 0.00 H new ATOM 0 HG21 ILE A 103 0.118 -7.765 5.741 1.00 0.00 H new ATOM 0 HG22 ILE A 103 -0.731 -9.196 6.372 1.00 0.00 H new ATOM 0 HG23 ILE A 103 -1.602 -8.019 5.361 1.00 0.00 H new ATOM 0 HD11 ILE A 103 -0.118 -4.164 6.554 1.00 0.00 H new ATOM 0 HD12 ILE A 103 0.680 -5.339 7.627 1.00 0.00 H new ATOM 0 HD13 ILE A 103 0.474 -5.708 5.898 1.00 0.00 H new ATOM 1496 N PRO A 104 -2.159 -8.201 10.304 1.00 0.00 N ATOM 1497 CA PRO A 104 -2.214 -7.892 11.736 1.00 0.00 C ATOM 1498 C PRO A 104 -1.355 -6.687 12.103 1.00 0.00 C ATOM 1499 O PRO A 104 -1.237 -6.329 13.275 1.00 0.00 O ATOM 1500 CB PRO A 104 -1.666 -9.160 12.394 1.00 0.00 C ATOM 1501 CG PRO A 104 -0.797 -9.781 11.355 1.00 0.00 C ATOM 1502 CD PRO A 104 -1.435 -9.454 10.033 1.00 0.00 C ATOM 0 HA PRO A 104 -3.222 -7.630 12.058 1.00 0.00 H new ATOM 0 HB2 PRO A 104 -1.100 -8.925 13.295 1.00 0.00 H new ATOM 0 HB3 PRO A 104 -2.471 -9.832 12.690 1.00 0.00 H new ATOM 0 HG2 PRO A 104 0.217 -9.386 11.407 1.00 0.00 H new ATOM 0 HG3 PRO A 104 -0.727 -10.859 11.498 1.00 0.00 H new ATOM 0 HD2 PRO A 104 -0.690 -9.326 9.248 1.00 0.00 H new ATOM 0 HD3 PRO A 104 -2.110 -10.245 9.706 1.00 0.00 H new ATOM 1510 N LEU A 105 -0.755 -6.065 11.094 1.00 0.00 N ATOM 1511 CA LEU A 105 0.094 -4.898 11.310 1.00 0.00 C ATOM 1512 C LEU A 105 -0.668 -3.609 11.021 1.00 0.00 C ATOM 1513 O LEU A 105 -0.409 -2.573 11.633 1.00 0.00 O ATOM 1514 CB LEU A 105 1.339 -4.978 10.425 1.00 0.00 C ATOM 1515 CG LEU A 105 2.118 -6.293 10.480 1.00 0.00 C ATOM 1516 CD1 LEU A 105 3.053 -6.409 9.285 1.00 0.00 C ATOM 1517 CD2 LEU A 105 2.899 -6.396 11.782 1.00 0.00 C ATOM 0 H LEU A 105 -0.841 -6.349 10.118 1.00 0.00 H new ATOM 0 HA LEU A 105 0.400 -4.890 12.356 1.00 0.00 H new ATOM 0 HB2 LEU A 105 1.038 -4.800 9.393 1.00 0.00 H new ATOM 0 HB3 LEU A 105 2.012 -4.168 10.705 1.00 0.00 H new ATOM 0 HG LEU A 105 1.406 -7.117 10.440 1.00 0.00 H new ATOM 0 HD11 LEU A 105 3.599 -7.351 9.340 1.00 0.00 H new ATOM 0 HD12 LEU A 105 2.471 -6.381 8.364 1.00 0.00 H new ATOM 0 HD13 LEU A 105 3.759 -5.579 9.294 1.00 0.00 H new ATOM 0 HD21 LEU A 105 3.447 -7.338 11.804 1.00 0.00 H new ATOM 0 HD22 LEU A 105 3.602 -5.566 11.852 1.00 0.00 H new ATOM 0 HD23 LEU A 105 2.208 -6.359 12.624 1.00 0.00 H new ATOM 1529 N SER A 106 -1.609 -3.681 10.086 1.00 0.00 N ATOM 1530 CA SER A 106 -2.408 -2.519 9.715 1.00 0.00 C ATOM 1531 C SER A 106 -3.554 -2.310 10.699 1.00 0.00 C ATOM 1532 O SER A 106 -3.945 -3.215 11.437 1.00 0.00 O ATOM 1533 CB SER A 106 -2.961 -2.685 8.298 1.00 0.00 C ATOM 1534 OG SER A 106 -2.082 -2.126 7.338 1.00 0.00 O ATOM 0 H SER A 106 -1.837 -4.532 9.571 1.00 0.00 H new ATOM 0 HA SER A 106 -1.762 -1.641 9.745 1.00 0.00 H new ATOM 0 HB2 SER A 106 -3.112 -3.743 8.085 1.00 0.00 H new ATOM 0 HB3 SER A 106 -3.936 -2.204 8.226 1.00 0.00 H new ATOM 0 HG SER A 106 -2.329 -1.192 7.173 1.00 0.00 H new ATOM 1540 N PRO A 107 -4.108 -1.088 10.712 1.00 0.00 N ATOM 1541 CA PRO A 107 -3.651 -0.003 9.839 1.00 0.00 C ATOM 1542 C PRO A 107 -2.269 0.511 10.228 1.00 0.00 C ATOM 1543 O PRO A 107 -1.653 0.013 11.170 1.00 0.00 O ATOM 1544 CB PRO A 107 -4.705 1.087 10.046 1.00 0.00 C ATOM 1545 CG PRO A 107 -5.264 0.820 11.401 1.00 0.00 C ATOM 1546 CD PRO A 107 -5.222 -0.672 11.581 1.00 0.00 C ATOM 0 HA PRO A 107 -3.552 -0.328 8.803 1.00 0.00 H new ATOM 0 HB2 PRO A 107 -4.263 2.082 9.989 1.00 0.00 H new ATOM 0 HB3 PRO A 107 -5.480 1.039 9.281 1.00 0.00 H new ATOM 0 HG2 PRO A 107 -4.678 1.322 12.171 1.00 0.00 H new ATOM 0 HG3 PRO A 107 -6.285 1.194 11.483 1.00 0.00 H new ATOM 0 HD2 PRO A 107 -5.045 -0.947 12.621 1.00 0.00 H new ATOM 0 HD3 PRO A 107 -6.161 -1.140 11.283 1.00 0.00 H new ATOM 1554 N TYR A 108 -1.788 1.510 9.497 1.00 0.00 N ATOM 1555 CA TYR A 108 -0.478 2.091 9.765 1.00 0.00 C ATOM 1556 C TYR A 108 -0.598 3.574 10.105 1.00 0.00 C ATOM 1557 O TYR A 108 -1.246 4.336 9.388 1.00 0.00 O ATOM 1558 CB TYR A 108 0.442 1.907 8.556 1.00 0.00 C ATOM 1559 CG TYR A 108 1.246 0.627 8.597 1.00 0.00 C ATOM 1560 CD1 TYR A 108 0.645 -0.603 8.359 1.00 0.00 C ATOM 1561 CD2 TYR A 108 2.608 0.648 8.873 1.00 0.00 C ATOM 1562 CE1 TYR A 108 1.377 -1.774 8.396 1.00 0.00 C ATOM 1563 CE2 TYR A 108 3.348 -0.518 8.911 1.00 0.00 C ATOM 1564 CZ TYR A 108 2.727 -1.727 8.672 1.00 0.00 C ATOM 1565 OH TYR A 108 3.459 -2.891 8.709 1.00 0.00 O ATOM 0 H TYR A 108 -2.286 1.934 8.714 1.00 0.00 H new ATOM 0 HA TYR A 108 -0.049 1.574 10.623 1.00 0.00 H new ATOM 0 HB2 TYR A 108 -0.159 1.920 7.647 1.00 0.00 H new ATOM 0 HB3 TYR A 108 1.126 2.754 8.498 1.00 0.00 H new ATOM 0 HD1 TYR A 108 -0.412 -0.644 8.141 1.00 0.00 H new ATOM 0 HD2 TYR A 108 3.097 1.593 9.061 1.00 0.00 H new ATOM 0 HE1 TYR A 108 0.894 -2.722 8.210 1.00 0.00 H new ATOM 0 HE2 TYR A 108 4.406 -0.484 9.126 1.00 0.00 H new ATOM 0 HH TYR A 108 4.394 -2.683 8.916 1.00 0.00 H new ATOM 1575 N ARG A 109 0.033 3.975 11.204 1.00 0.00 N ATOM 1576 CA ARG A 109 -0.003 5.365 11.641 1.00 0.00 C ATOM 1577 C ARG A 109 1.259 6.104 11.207 1.00 0.00 C ATOM 1578 O ARG A 109 2.370 5.726 11.580 1.00 0.00 O ATOM 1579 CB ARG A 109 -0.154 5.440 13.161 1.00 0.00 C ATOM 1580 CG ARG A 109 -1.561 5.139 13.650 1.00 0.00 C ATOM 1581 CD ARG A 109 -1.619 5.055 15.167 1.00 0.00 C ATOM 1582 NE ARG A 109 -1.575 6.376 15.790 1.00 0.00 N ATOM 1583 CZ ARG A 109 -0.448 7.028 16.051 1.00 0.00 C ATOM 1584 NH1 ARG A 109 0.722 6.485 15.745 1.00 0.00 N ATOM 1585 NH2 ARG A 109 -0.490 8.226 16.619 1.00 0.00 N ATOM 0 H ARG A 109 0.575 3.357 11.808 1.00 0.00 H new ATOM 0 HA ARG A 109 -0.863 5.845 11.173 1.00 0.00 H new ATOM 0 HB2 ARG A 109 0.540 4.736 13.621 1.00 0.00 H new ATOM 0 HB3 ARG A 109 0.133 6.436 13.497 1.00 0.00 H new ATOM 0 HG2 ARG A 109 -2.242 5.915 13.301 1.00 0.00 H new ATOM 0 HG3 ARG A 109 -1.903 4.198 13.219 1.00 0.00 H new ATOM 0 HD2 ARG A 109 -2.533 4.543 15.467 1.00 0.00 H new ATOM 0 HD3 ARG A 109 -0.784 4.455 15.529 1.00 0.00 H new ATOM 0 HE ARG A 109 -2.458 6.822 16.038 1.00 0.00 H new ATOM 0 HH11 ARG A 109 0.758 5.564 15.308 1.00 0.00 H new ATOM 0 HH12 ARG A 109 1.586 6.988 15.947 1.00 0.00 H new ATOM 0 HH21 ARG A 109 -1.388 8.647 16.856 1.00 0.00 H new ATOM 0 HH22 ARG A 109 0.376 8.726 16.819 1.00 0.00 H new ATOM 1599 N ILE A 110 1.080 7.157 10.417 1.00 0.00 N ATOM 1600 CA ILE A 110 2.205 7.948 9.933 1.00 0.00 C ATOM 1601 C ILE A 110 1.929 9.441 10.077 1.00 0.00 C ATOM 1602 O ILE A 110 0.775 9.869 10.106 1.00 0.00 O ATOM 1603 CB ILE A 110 2.520 7.636 8.458 1.00 0.00 C ATOM 1604 CG1 ILE A 110 2.631 6.125 8.247 1.00 0.00 C ATOM 1605 CG2 ILE A 110 3.804 8.332 8.032 1.00 0.00 C ATOM 1606 CD1 ILE A 110 2.748 5.725 6.793 1.00 0.00 C ATOM 0 H ILE A 110 0.167 7.482 10.098 1.00 0.00 H new ATOM 0 HA ILE A 110 3.066 7.679 10.545 1.00 0.00 H new ATOM 0 HB ILE A 110 1.704 8.011 7.840 1.00 0.00 H new ATOM 0 HG12 ILE A 110 3.501 5.754 8.789 1.00 0.00 H new ATOM 0 HG13 ILE A 110 1.755 5.641 8.679 1.00 0.00 H new ATOM 0 HG21 ILE A 110 4.013 8.102 6.987 1.00 0.00 H new ATOM 0 HG22 ILE A 110 3.690 9.410 8.150 1.00 0.00 H new ATOM 0 HG23 ILE A 110 4.630 7.984 8.653 1.00 0.00 H new ATOM 0 HD11 ILE A 110 2.823 4.640 6.719 1.00 0.00 H new ATOM 0 HD12 ILE A 110 1.867 6.066 6.250 1.00 0.00 H new ATOM 0 HD13 ILE A 110 3.639 6.180 6.361 1.00 0.00 H new ATOM 1618 N ARG A 111 2.995 10.229 10.166 1.00 0.00 N ATOM 1619 CA ARG A 111 2.868 11.674 10.306 1.00 0.00 C ATOM 1620 C ARG A 111 3.741 12.399 9.285 1.00 0.00 C ATOM 1621 O ARG A 111 4.964 12.264 9.292 1.00 0.00 O ATOM 1622 CB ARG A 111 3.255 12.107 11.721 1.00 0.00 C ATOM 1623 CG ARG A 111 2.257 11.677 12.784 1.00 0.00 C ATOM 1624 CD ARG A 111 2.694 12.121 14.171 1.00 0.00 C ATOM 1625 NE ARG A 111 2.721 13.576 14.297 1.00 0.00 N ATOM 1626 CZ ARG A 111 3.765 14.323 13.956 1.00 0.00 C ATOM 1627 NH1 ARG A 111 4.861 13.756 13.471 1.00 0.00 N ATOM 1628 NH2 ARG A 111 3.714 15.641 14.100 1.00 0.00 N ATOM 0 H ARG A 111 3.957 9.891 10.144 1.00 0.00 H new ATOM 0 HA ARG A 111 1.827 11.941 10.123 1.00 0.00 H new ATOM 0 HB2 ARG A 111 4.233 11.692 11.964 1.00 0.00 H new ATOM 0 HB3 ARG A 111 3.354 13.192 11.745 1.00 0.00 H new ATOM 0 HG2 ARG A 111 1.278 12.099 12.557 1.00 0.00 H new ATOM 0 HG3 ARG A 111 2.149 10.593 12.765 1.00 0.00 H new ATOM 0 HD2 ARG A 111 2.015 11.705 14.915 1.00 0.00 H new ATOM 0 HD3 ARG A 111 3.685 11.720 14.384 1.00 0.00 H new ATOM 0 HE ARG A 111 1.893 14.044 14.667 1.00 0.00 H new ATOM 0 HH11 ARG A 111 4.904 12.743 13.359 1.00 0.00 H new ATOM 0 HH12 ARG A 111 5.661 14.333 13.210 1.00 0.00 H new ATOM 0 HH21 ARG A 111 2.873 16.081 14.473 1.00 0.00 H new ATOM 0 HH22 ARG A 111 4.516 16.214 13.838 1.00 0.00 H new ATOM 1642 N ALA A 112 3.103 13.166 8.407 1.00 0.00 N ATOM 1643 CA ALA A 112 3.820 13.912 7.381 1.00 0.00 C ATOM 1644 C ALA A 112 4.405 15.202 7.948 1.00 0.00 C ATOM 1645 O ALA A 112 3.707 16.208 8.076 1.00 0.00 O ATOM 1646 CB ALA A 112 2.899 14.218 6.209 1.00 0.00 C ATOM 0 H ALA A 112 2.090 13.287 8.386 1.00 0.00 H new ATOM 0 HA ALA A 112 4.645 13.294 7.028 1.00 0.00 H new ATOM 0 HB1 ALA A 112 3.448 14.776 5.450 1.00 0.00 H new ATOM 0 HB2 ALA A 112 2.534 13.285 5.780 1.00 0.00 H new ATOM 0 HB3 ALA A 112 2.054 14.813 6.556 1.00 0.00 H new ATOM 1652 N THR A 113 5.690 15.165 8.286 1.00 0.00 N ATOM 1653 CA THR A 113 6.367 16.330 8.841 1.00 0.00 C ATOM 1654 C THR A 113 6.452 17.456 7.818 1.00 0.00 C ATOM 1655 O THR A 113 7.161 17.346 6.818 1.00 0.00 O ATOM 1656 CB THR A 113 7.789 15.978 9.319 1.00 0.00 C ATOM 1657 OG1 THR A 113 8.586 15.549 8.210 1.00 0.00 O ATOM 1658 CG2 THR A 113 7.750 14.884 10.375 1.00 0.00 C ATOM 0 H THR A 113 6.283 14.341 8.185 1.00 0.00 H new ATOM 0 HA THR A 113 5.776 16.662 9.694 1.00 0.00 H new ATOM 0 HB THR A 113 8.231 16.871 9.760 1.00 0.00 H new ATOM 0 HG1 THR A 113 8.334 16.056 7.410 1.00 0.00 H new ATOM 0 HG21 THR A 113 8.765 14.653 10.697 1.00 0.00 H new ATOM 0 HG22 THR A 113 7.167 15.225 11.231 1.00 0.00 H new ATOM 0 HG23 THR A 113 7.290 13.989 9.955 1.00 0.00 H new