USER MOD reduce.3.24.130724 H: found=0, std=0, add=705, rem=0, adj=24 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= -0.0302 X(o=-0.98,f=-1.2) USER MOD Set 1.2: A 83 THR OG1 : rot 180:sc= -0.953 USER MOD Single : A 18 THR OG1 : rot 26:sc= 0.124 USER MOD Single : A 19 TYR OH : rot 48:sc= 0.696 USER MOD Single : A 22 SER OG : rot 180:sc= 0.00951 USER MOD Single : A 23 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 25 THR OG1 : rot 180:sc= 0 USER MOD Single : A 27 SER OG : rot 27:sc= 0.0725 USER MOD Single : A 32 SER OG : rot -128:sc= 0.173 USER MOD Single : A 33 SER OG : rot 180:sc= -0.016 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= 0 X(o=0,f=0) USER MOD Single : A 61 THR OG1 : rot 180:sc= 0 USER MOD Single : A 63 GLN : amide:sc= -0.0137 K(o=-0.014,f=-1.1) USER MOD Single : A 66 LYS NZ :NH3+ -170:sc= 0 (180deg=-0.0361) USER MOD Single : A 68 LYS NZ :NH3+ -107:sc= -1.34 (180deg=-2.73!) USER MOD Single : A 75 ASN : amide:sc= 0.142 X(o=0.14,f=0) USER MOD Single : A 76 LYS NZ :NH3+ -113:sc= -1.53 (180deg=-4.55!) USER MOD Single : A 79 THR OG1 : rot 180:sc= 0 USER MOD Single : A 80 TYR OH : rot 180:sc= 0 USER MOD Single : A 84 TYR OH : rot 71:sc= -3.34! USER MOD Single : A 88 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 89 THR OG1 : rot 36:sc= 0.071 USER MOD Single : A 92 TYR OH : rot -15:sc= -0.703 USER MOD Single : A 93 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Single : A 97 THR OG1 : rot 180:sc= -1.06 USER MOD Single : A 98 TYR OH : rot 165:sc= 0 USER MOD Single : A 106 SER OG : rot -91:sc= 0.204 USER MOD Single : A 108 TYR OH : rot 180:sc= -0.0129 USER MOD Single : A 113 THR OG1 : rot 53:sc= 1.18 USER MOD ----------------------------------------------------------------- ATOM 244 N THR A 18 -2.763 -20.818 -0.328 1.00 0.00 N ATOM 245 CA THR A 18 -1.503 -20.867 0.402 1.00 0.00 C ATOM 246 C THR A 18 -1.092 -19.481 0.885 1.00 0.00 C ATOM 247 O THR A 18 -0.281 -19.347 1.802 1.00 0.00 O ATOM 248 CB THR A 18 -0.373 -21.451 -0.467 1.00 0.00 C ATOM 249 OG1 THR A 18 -0.775 -22.714 -1.010 1.00 0.00 O ATOM 250 CG2 THR A 18 0.901 -21.625 0.346 1.00 0.00 C ATOM 0 HA THR A 18 -1.662 -21.516 1.263 1.00 0.00 H new ATOM 0 HB THR A 18 -0.173 -20.753 -1.280 1.00 0.00 H new ATOM 0 HG1 THR A 18 -1.752 -22.747 -1.072 1.00 0.00 H new ATOM 0 HG21 THR A 18 1.684 -22.039 -0.289 1.00 0.00 H new ATOM 0 HG22 THR A 18 1.221 -20.657 0.733 1.00 0.00 H new ATOM 0 HG23 THR A 18 0.712 -22.304 1.178 1.00 0.00 H new ATOM 258 N TYR A 19 -1.657 -18.452 0.263 1.00 0.00 N ATOM 259 CA TYR A 19 -1.348 -17.075 0.629 1.00 0.00 C ATOM 260 C TYR A 19 -1.740 -16.795 2.077 1.00 0.00 C ATOM 261 O TYR A 19 -2.715 -17.348 2.586 1.00 0.00 O ATOM 262 CB TYR A 19 -2.072 -16.102 -0.304 1.00 0.00 C ATOM 263 CG TYR A 19 -3.526 -15.892 0.051 1.00 0.00 C ATOM 264 CD1 TYR A 19 -3.900 -14.958 1.009 1.00 0.00 C ATOM 265 CD2 TYR A 19 -4.527 -16.627 -0.573 1.00 0.00 C ATOM 266 CE1 TYR A 19 -5.228 -14.763 1.337 1.00 0.00 C ATOM 267 CE2 TYR A 19 -5.858 -16.438 -0.253 1.00 0.00 C ATOM 268 CZ TYR A 19 -6.203 -15.505 0.703 1.00 0.00 C ATOM 269 OH TYR A 19 -7.527 -15.313 1.026 1.00 0.00 O ATOM 0 H TYR A 19 -2.331 -18.545 -0.497 1.00 0.00 H new ATOM 0 HA TYR A 19 -0.272 -16.932 0.528 1.00 0.00 H new ATOM 0 HB2 TYR A 19 -1.559 -15.141 -0.282 1.00 0.00 H new ATOM 0 HB3 TYR A 19 -2.006 -16.475 -1.326 1.00 0.00 H new ATOM 0 HD1 TYR A 19 -3.139 -14.374 1.506 1.00 0.00 H new ATOM 0 HD2 TYR A 19 -4.260 -17.359 -1.321 1.00 0.00 H new ATOM 0 HE1 TYR A 19 -5.501 -14.034 2.085 1.00 0.00 H new ATOM 0 HE2 TYR A 19 -6.623 -17.017 -0.748 1.00 0.00 H new ATOM 0 HH TYR A 19 -7.727 -14.354 1.029 1.00 0.00 H new ATOM 279 N ASP A 20 -0.973 -15.932 2.734 1.00 0.00 N ATOM 280 CA ASP A 20 -1.239 -15.575 4.122 1.00 0.00 C ATOM 281 C ASP A 20 -0.899 -14.111 4.382 1.00 0.00 C ATOM 282 O ASP A 20 0.265 -13.715 4.332 1.00 0.00 O ATOM 283 CB ASP A 20 -0.435 -16.473 5.065 1.00 0.00 C ATOM 284 CG ASP A 20 -1.183 -17.738 5.437 1.00 0.00 C ATOM 285 OD1 ASP A 20 -2.353 -17.632 5.861 1.00 0.00 O ATOM 286 OD2 ASP A 20 -0.599 -18.834 5.306 1.00 0.00 O ATOM 0 H ASP A 20 -0.162 -15.467 2.327 1.00 0.00 H new ATOM 0 HA ASP A 20 -2.302 -15.721 4.311 1.00 0.00 H new ATOM 0 HB2 ASP A 20 0.510 -16.739 4.591 1.00 0.00 H new ATOM 0 HB3 ASP A 20 -0.192 -15.918 5.971 1.00 0.00 H new ATOM 291 N ALA A 21 -1.924 -13.311 4.659 1.00 0.00 N ATOM 292 CA ALA A 21 -1.734 -11.891 4.927 1.00 0.00 C ATOM 293 C ALA A 21 -0.779 -11.677 6.096 1.00 0.00 C ATOM 294 O ALA A 21 0.134 -10.854 6.021 1.00 0.00 O ATOM 295 CB ALA A 21 -3.073 -11.224 5.208 1.00 0.00 C ATOM 0 H ALA A 21 -2.894 -13.623 4.704 1.00 0.00 H new ATOM 0 HA ALA A 21 -1.291 -11.435 4.042 1.00 0.00 H new ATOM 0 HB1 ALA A 21 -2.917 -10.164 5.407 1.00 0.00 H new ATOM 0 HB2 ALA A 21 -3.725 -11.339 4.342 1.00 0.00 H new ATOM 0 HB3 ALA A 21 -3.537 -11.691 6.077 1.00 0.00 H new ATOM 301 N SER A 22 -0.995 -12.421 7.176 1.00 0.00 N ATOM 302 CA SER A 22 -0.155 -12.309 8.362 1.00 0.00 C ATOM 303 C SER A 22 1.323 -12.372 7.990 1.00 0.00 C ATOM 304 O SER A 22 2.166 -11.749 8.636 1.00 0.00 O ATOM 305 CB SER A 22 -0.490 -13.421 9.357 1.00 0.00 C ATOM 306 OG SER A 22 -1.891 -13.553 9.523 1.00 0.00 O ATOM 0 H SER A 22 -1.745 -13.108 7.254 1.00 0.00 H new ATOM 0 HA SER A 22 -0.353 -11.343 8.827 1.00 0.00 H new ATOM 0 HB2 SER A 22 -0.072 -14.365 9.007 1.00 0.00 H new ATOM 0 HB3 SER A 22 -0.026 -13.204 10.319 1.00 0.00 H new ATOM 0 HG SER A 22 -2.078 -14.272 10.163 1.00 0.00 H new ATOM 312 N LYS A 23 1.631 -13.128 6.942 1.00 0.00 N ATOM 313 CA LYS A 23 3.006 -13.273 6.480 1.00 0.00 C ATOM 314 C LYS A 23 3.365 -12.174 5.484 1.00 0.00 C ATOM 315 O LYS A 23 4.140 -12.394 4.554 1.00 0.00 O ATOM 316 CB LYS A 23 3.206 -14.646 5.834 1.00 0.00 C ATOM 317 CG LYS A 23 2.861 -15.806 6.751 1.00 0.00 C ATOM 318 CD LYS A 23 3.783 -15.856 7.958 1.00 0.00 C ATOM 319 CE LYS A 23 5.182 -16.311 7.573 1.00 0.00 C ATOM 320 NZ LYS A 23 6.156 -16.110 8.682 1.00 0.00 N ATOM 0 H LYS A 23 0.946 -13.650 6.396 1.00 0.00 H new ATOM 0 HA LYS A 23 3.664 -13.185 7.344 1.00 0.00 H new ATOM 0 HB2 LYS A 23 2.591 -14.709 4.936 1.00 0.00 H new ATOM 0 HB3 LYS A 23 4.244 -14.741 5.517 1.00 0.00 H new ATOM 0 HG2 LYS A 23 1.828 -15.712 7.085 1.00 0.00 H new ATOM 0 HG3 LYS A 23 2.933 -16.742 6.198 1.00 0.00 H new ATOM 0 HD2 LYS A 23 3.834 -14.870 8.419 1.00 0.00 H new ATOM 0 HD3 LYS A 23 3.371 -16.535 8.704 1.00 0.00 H new ATOM 0 HE2 LYS A 23 5.158 -17.365 7.298 1.00 0.00 H new ATOM 0 HE3 LYS A 23 5.514 -15.759 6.694 1.00 0.00 H new ATOM 0 HZ1 LYS A 23 7.097 -16.432 8.380 1.00 0.00 H new ATOM 0 HZ2 LYS A 23 6.198 -15.100 8.928 1.00 0.00 H new ATOM 0 HZ3 LYS A 23 5.853 -16.657 9.513 1.00 0.00 H new ATOM 334 N VAL A 24 2.796 -10.990 5.687 1.00 0.00 N ATOM 335 CA VAL A 24 3.059 -9.856 4.809 1.00 0.00 C ATOM 336 C VAL A 24 3.535 -8.644 5.603 1.00 0.00 C ATOM 337 O VAL A 24 2.783 -8.070 6.392 1.00 0.00 O ATOM 338 CB VAL A 24 1.804 -9.467 4.004 1.00 0.00 C ATOM 339 CG1 VAL A 24 2.108 -8.307 3.069 1.00 0.00 C ATOM 340 CG2 VAL A 24 1.278 -10.665 3.228 1.00 0.00 C ATOM 0 H VAL A 24 2.150 -10.791 6.451 1.00 0.00 H new ATOM 0 HA VAL A 24 3.844 -10.166 4.119 1.00 0.00 H new ATOM 0 HB VAL A 24 1.030 -9.146 4.701 1.00 0.00 H new ATOM 0 HG11 VAL A 24 1.210 -8.046 2.509 1.00 0.00 H new ATOM 0 HG12 VAL A 24 2.435 -7.446 3.652 1.00 0.00 H new ATOM 0 HG13 VAL A 24 2.897 -8.596 2.375 1.00 0.00 H new ATOM 0 HG21 VAL A 24 0.392 -10.373 2.665 1.00 0.00 H new ATOM 0 HG22 VAL A 24 2.046 -11.018 2.539 1.00 0.00 H new ATOM 0 HG23 VAL A 24 1.020 -11.464 3.923 1.00 0.00 H new ATOM 350 N THR A 25 4.789 -8.260 5.390 1.00 0.00 N ATOM 351 CA THR A 25 5.367 -7.117 6.086 1.00 0.00 C ATOM 352 C THR A 25 5.928 -6.099 5.100 1.00 0.00 C ATOM 353 O THR A 25 6.130 -6.405 3.925 1.00 0.00 O ATOM 354 CB THR A 25 6.486 -7.553 7.050 1.00 0.00 C ATOM 355 OG1 THR A 25 7.497 -8.271 6.333 1.00 0.00 O ATOM 356 CG2 THR A 25 5.931 -8.426 8.165 1.00 0.00 C ATOM 0 H THR A 25 5.424 -8.724 4.741 1.00 0.00 H new ATOM 0 HA THR A 25 4.563 -6.657 6.660 1.00 0.00 H new ATOM 0 HB THR A 25 6.922 -6.658 7.494 1.00 0.00 H new ATOM 0 HG1 THR A 25 8.206 -8.544 6.952 1.00 0.00 H new ATOM 0 HG21 THR A 25 6.740 -8.721 8.833 1.00 0.00 H new ATOM 0 HG22 THR A 25 5.183 -7.867 8.727 1.00 0.00 H new ATOM 0 HG23 THR A 25 5.472 -9.316 7.736 1.00 0.00 H new ATOM 364 N ALA A 26 6.180 -4.888 5.585 1.00 0.00 N ATOM 365 CA ALA A 26 6.721 -3.826 4.747 1.00 0.00 C ATOM 366 C ALA A 26 7.722 -2.972 5.519 1.00 0.00 C ATOM 367 O ALA A 26 7.607 -2.812 6.734 1.00 0.00 O ATOM 368 CB ALA A 26 5.596 -2.959 4.201 1.00 0.00 C ATOM 0 H ALA A 26 6.018 -4.618 6.555 1.00 0.00 H new ATOM 0 HA ALA A 26 7.246 -4.289 3.912 1.00 0.00 H new ATOM 0 HB1 ALA A 26 6.015 -2.170 3.577 1.00 0.00 H new ATOM 0 HB2 ALA A 26 4.920 -3.573 3.605 1.00 0.00 H new ATOM 0 HB3 ALA A 26 5.046 -2.513 5.029 1.00 0.00 H new ATOM 374 N SER A 27 8.703 -2.428 4.806 1.00 0.00 N ATOM 375 CA SER A 27 9.726 -1.595 5.426 1.00 0.00 C ATOM 376 C SER A 27 10.190 -0.501 4.468 1.00 0.00 C ATOM 377 O SER A 27 10.197 -0.687 3.252 1.00 0.00 O ATOM 378 CB SER A 27 10.919 -2.451 5.856 1.00 0.00 C ATOM 379 OG SER A 27 10.726 -2.978 7.157 1.00 0.00 O ATOM 0 H SER A 27 8.811 -2.549 3.799 1.00 0.00 H new ATOM 0 HA SER A 27 9.290 -1.123 6.306 1.00 0.00 H new ATOM 0 HB2 SER A 27 11.060 -3.267 5.147 1.00 0.00 H new ATOM 0 HB3 SER A 27 11.828 -1.850 5.835 1.00 0.00 H new ATOM 0 HG SER A 27 9.766 -3.067 7.335 1.00 0.00 H new ATOM 385 N GLY A 28 10.577 0.642 5.027 1.00 0.00 N ATOM 386 CA GLY A 28 11.036 1.749 4.210 1.00 0.00 C ATOM 387 C GLY A 28 10.631 3.095 4.777 1.00 0.00 C ATOM 388 O GLY A 28 10.068 3.189 5.867 1.00 0.00 O ATOM 0 H GLY A 28 10.581 0.820 6.031 1.00 0.00 H new ATOM 0 HA2 GLY A 28 12.122 1.707 4.123 1.00 0.00 H new ATOM 0 HA3 GLY A 28 10.631 1.646 3.203 1.00 0.00 H new ATOM 392 N PRO A 29 10.922 4.169 4.027 1.00 0.00 N ATOM 393 CA PRO A 29 10.594 5.536 4.442 1.00 0.00 C ATOM 394 C PRO A 29 9.093 5.805 4.420 1.00 0.00 C ATOM 395 O PRO A 29 8.564 6.503 5.283 1.00 0.00 O ATOM 396 CB PRO A 29 11.308 6.403 3.402 1.00 0.00 C ATOM 397 CG PRO A 29 11.425 5.533 2.199 1.00 0.00 C ATOM 398 CD PRO A 29 11.592 4.131 2.717 1.00 0.00 C ATOM 0 HA PRO A 29 10.903 5.735 5.468 1.00 0.00 H new ATOM 0 HB2 PRO A 29 10.740 7.307 3.183 1.00 0.00 H new ATOM 0 HB3 PRO A 29 12.288 6.721 3.757 1.00 0.00 H new ATOM 0 HG2 PRO A 29 10.538 5.614 1.571 1.00 0.00 H new ATOM 0 HG3 PRO A 29 12.277 5.827 1.586 1.00 0.00 H new ATOM 0 HD2 PRO A 29 11.133 3.400 2.052 1.00 0.00 H new ATOM 0 HD3 PRO A 29 12.644 3.860 2.811 1.00 0.00 H new ATOM 406 N GLY A 30 8.411 5.244 3.426 1.00 0.00 N ATOM 407 CA GLY A 30 6.977 5.435 3.310 1.00 0.00 C ATOM 408 C GLY A 30 6.243 5.109 4.596 1.00 0.00 C ATOM 409 O GLY A 30 5.215 5.715 4.903 1.00 0.00 O ATOM 0 H GLY A 30 8.826 4.661 2.699 1.00 0.00 H new ATOM 0 HA2 GLY A 30 6.773 6.469 3.031 1.00 0.00 H new ATOM 0 HA3 GLY A 30 6.593 4.806 2.507 1.00 0.00 H new ATOM 413 N LEU A 31 6.769 4.149 5.348 1.00 0.00 N ATOM 414 CA LEU A 31 6.156 3.743 6.608 1.00 0.00 C ATOM 415 C LEU A 31 7.004 4.188 7.795 1.00 0.00 C ATOM 416 O LEU A 31 6.942 3.595 8.872 1.00 0.00 O ATOM 417 CB LEU A 31 5.969 2.225 6.641 1.00 0.00 C ATOM 418 CG LEU A 31 5.290 1.606 5.418 1.00 0.00 C ATOM 419 CD1 LEU A 31 5.680 0.142 5.276 1.00 0.00 C ATOM 420 CD2 LEU A 31 3.779 1.750 5.518 1.00 0.00 C ATOM 0 H LEU A 31 7.618 3.637 5.108 1.00 0.00 H new ATOM 0 HA LEU A 31 5.181 4.225 6.681 1.00 0.00 H new ATOM 0 HB2 LEU A 31 6.948 1.761 6.762 1.00 0.00 H new ATOM 0 HB3 LEU A 31 5.384 1.970 7.525 1.00 0.00 H new ATOM 0 HG LEU A 31 5.628 2.139 4.529 1.00 0.00 H new ATOM 0 HD11 LEU A 31 5.188 -0.282 4.401 1.00 0.00 H new ATOM 0 HD12 LEU A 31 6.761 0.063 5.158 1.00 0.00 H new ATOM 0 HD13 LEU A 31 5.371 -0.405 6.167 1.00 0.00 H new ATOM 0 HD21 LEU A 31 3.312 1.304 4.640 1.00 0.00 H new ATOM 0 HD22 LEU A 31 3.424 1.242 6.415 1.00 0.00 H new ATOM 0 HD23 LEU A 31 3.517 2.807 5.571 1.00 0.00 H new ATOM 432 N SER A 32 7.795 5.236 7.591 1.00 0.00 N ATOM 433 CA SER A 32 8.657 5.760 8.643 1.00 0.00 C ATOM 434 C SER A 32 7.830 6.286 9.812 1.00 0.00 C ATOM 435 O SER A 32 7.050 7.227 9.661 1.00 0.00 O ATOM 436 CB SER A 32 9.550 6.875 8.093 1.00 0.00 C ATOM 437 OG SER A 32 10.134 7.625 9.144 1.00 0.00 O ATOM 0 H SER A 32 7.857 5.739 6.706 1.00 0.00 H new ATOM 0 HA SER A 32 9.285 4.945 9.002 1.00 0.00 H new ATOM 0 HB2 SER A 32 10.334 6.444 7.470 1.00 0.00 H new ATOM 0 HB3 SER A 32 8.962 7.534 7.454 1.00 0.00 H new ATOM 0 HG SER A 32 9.960 8.579 9.001 1.00 0.00 H new ATOM 443 N SER A 33 8.005 5.672 10.977 1.00 0.00 N ATOM 444 CA SER A 33 7.272 6.074 12.172 1.00 0.00 C ATOM 445 C SER A 33 7.649 7.493 12.588 1.00 0.00 C ATOM 446 O SER A 33 6.806 8.260 13.053 1.00 0.00 O ATOM 447 CB SER A 33 7.553 5.103 13.320 1.00 0.00 C ATOM 448 OG SER A 33 8.830 5.339 13.887 1.00 0.00 O ATOM 0 H SER A 33 8.648 4.894 11.119 1.00 0.00 H new ATOM 0 HA SER A 33 6.207 6.052 11.940 1.00 0.00 H new ATOM 0 HB2 SER A 33 6.786 5.210 14.087 1.00 0.00 H new ATOM 0 HB3 SER A 33 7.498 4.078 12.955 1.00 0.00 H new ATOM 0 HG SER A 33 8.985 4.706 14.619 1.00 0.00 H new ATOM 454 N TYR A 34 8.921 7.835 12.417 1.00 0.00 N ATOM 455 CA TYR A 34 9.412 9.160 12.776 1.00 0.00 C ATOM 456 C TYR A 34 8.683 10.243 11.987 1.00 0.00 C ATOM 457 O TYR A 34 8.444 11.340 12.491 1.00 0.00 O ATOM 458 CB TYR A 34 10.917 9.255 12.524 1.00 0.00 C ATOM 459 CG TYR A 34 11.746 8.432 13.484 1.00 0.00 C ATOM 460 CD1 TYR A 34 11.871 7.058 13.324 1.00 0.00 C ATOM 461 CD2 TYR A 34 12.404 9.029 14.552 1.00 0.00 C ATOM 462 CE1 TYR A 34 12.626 6.302 14.199 1.00 0.00 C ATOM 463 CE2 TYR A 34 13.163 8.282 15.432 1.00 0.00 C ATOM 464 CZ TYR A 34 13.270 6.918 15.252 1.00 0.00 C ATOM 465 OH TYR A 34 14.024 6.169 16.125 1.00 0.00 O ATOM 0 H TYR A 34 9.631 7.213 12.032 1.00 0.00 H new ATOM 0 HA TYR A 34 9.218 9.316 13.837 1.00 0.00 H new ATOM 0 HB2 TYR A 34 11.127 8.930 11.505 1.00 0.00 H new ATOM 0 HB3 TYR A 34 11.223 10.299 12.595 1.00 0.00 H new ATOM 0 HD1 TYR A 34 11.369 6.572 12.501 1.00 0.00 H new ATOM 0 HD2 TYR A 34 12.321 10.096 14.697 1.00 0.00 H new ATOM 0 HE1 TYR A 34 12.712 5.234 14.060 1.00 0.00 H new ATOM 0 HE2 TYR A 34 13.670 8.763 16.256 1.00 0.00 H new ATOM 0 HH TYR A 34 14.411 6.755 16.809 1.00 0.00 H new ATOM 475 N GLY A 35 8.330 9.925 10.745 1.00 0.00 N ATOM 476 CA GLY A 35 7.631 10.881 9.905 1.00 0.00 C ATOM 477 C GLY A 35 8.175 10.916 8.491 1.00 0.00 C ATOM 478 O GLY A 35 9.312 10.512 8.245 1.00 0.00 O ATOM 0 H GLY A 35 8.515 9.023 10.306 1.00 0.00 H new ATOM 0 HA2 GLY A 35 6.571 10.629 9.877 1.00 0.00 H new ATOM 0 HA3 GLY A 35 7.711 11.874 10.346 1.00 0.00 H new ATOM 482 N VAL A 36 7.362 11.398 7.557 1.00 0.00 N ATOM 483 CA VAL A 36 7.767 11.484 6.159 1.00 0.00 C ATOM 484 C VAL A 36 7.762 12.929 5.673 1.00 0.00 C ATOM 485 O VAL A 36 6.969 13.758 6.121 1.00 0.00 O ATOM 486 CB VAL A 36 6.844 10.646 5.255 1.00 0.00 C ATOM 487 CG1 VAL A 36 6.935 9.172 5.618 1.00 0.00 C ATOM 488 CG2 VAL A 36 5.409 11.141 5.354 1.00 0.00 C ATOM 0 H VAL A 36 6.418 11.735 7.743 1.00 0.00 H new ATOM 0 HA VAL A 36 8.780 11.087 6.098 1.00 0.00 H new ATOM 0 HB VAL A 36 7.173 10.762 4.222 1.00 0.00 H new ATOM 0 HG11 VAL A 36 6.276 8.596 4.969 1.00 0.00 H new ATOM 0 HG12 VAL A 36 7.961 8.828 5.490 1.00 0.00 H new ATOM 0 HG13 VAL A 36 6.633 9.034 6.656 1.00 0.00 H new ATOM 0 HG21 VAL A 36 4.771 10.538 4.709 1.00 0.00 H new ATOM 0 HG22 VAL A 36 5.066 11.057 6.385 1.00 0.00 H new ATOM 0 HG23 VAL A 36 5.361 12.183 5.039 1.00 0.00 H new ATOM 498 N PRO A 37 8.667 13.240 4.733 1.00 0.00 N ATOM 499 CA PRO A 37 8.787 14.586 4.164 1.00 0.00 C ATOM 500 C PRO A 37 7.599 14.949 3.280 1.00 0.00 C ATOM 501 O PRO A 37 7.359 14.312 2.255 1.00 0.00 O ATOM 502 CB PRO A 37 10.069 14.507 3.332 1.00 0.00 C ATOM 503 CG PRO A 37 10.207 13.064 2.986 1.00 0.00 C ATOM 504 CD PRO A 37 9.643 12.302 4.154 1.00 0.00 C ATOM 0 HA PRO A 37 8.812 15.355 4.937 1.00 0.00 H new ATOM 0 HB2 PRO A 37 9.998 15.124 2.436 1.00 0.00 H new ATOM 0 HB3 PRO A 37 10.930 14.863 3.897 1.00 0.00 H new ATOM 0 HG2 PRO A 37 9.666 12.829 2.069 1.00 0.00 H new ATOM 0 HG3 PRO A 37 11.251 12.802 2.816 1.00 0.00 H new ATOM 0 HD2 PRO A 37 9.169 11.373 3.837 1.00 0.00 H new ATOM 0 HD3 PRO A 37 10.418 12.035 4.872 1.00 0.00 H new ATOM 512 N ALA A 38 6.859 15.977 3.683 1.00 0.00 N ATOM 513 CA ALA A 38 5.698 16.426 2.925 1.00 0.00 C ATOM 514 C ALA A 38 6.083 16.790 1.495 1.00 0.00 C ATOM 515 O ALA A 38 7.252 17.038 1.201 1.00 0.00 O ATOM 516 CB ALA A 38 5.043 17.613 3.616 1.00 0.00 C ATOM 0 H ALA A 38 7.043 16.514 4.530 1.00 0.00 H new ATOM 0 HA ALA A 38 4.983 15.604 2.883 1.00 0.00 H new ATOM 0 HB1 ALA A 38 4.177 17.938 3.039 1.00 0.00 H new ATOM 0 HB2 ALA A 38 4.723 17.321 4.616 1.00 0.00 H new ATOM 0 HB3 ALA A 38 5.759 18.432 3.689 1.00 0.00 H new ATOM 522 N SER A 39 5.092 16.820 0.609 1.00 0.00 N ATOM 523 CA SER A 39 5.328 17.150 -0.791 1.00 0.00 C ATOM 524 C SER A 39 6.517 16.368 -1.340 1.00 0.00 C ATOM 525 O SER A 39 7.302 16.886 -2.136 1.00 0.00 O ATOM 526 CB SER A 39 5.574 18.652 -0.949 1.00 0.00 C ATOM 527 OG SER A 39 4.463 19.402 -0.489 1.00 0.00 O ATOM 0 H SER A 39 4.118 16.620 0.837 1.00 0.00 H new ATOM 0 HA SER A 39 4.440 16.873 -1.359 1.00 0.00 H new ATOM 0 HB2 SER A 39 6.466 18.938 -0.392 1.00 0.00 H new ATOM 0 HB3 SER A 39 5.765 18.884 -1.997 1.00 0.00 H new ATOM 0 HG SER A 39 4.646 20.358 -0.599 1.00 0.00 H new ATOM 533 N LEU A 40 6.644 15.118 -0.910 1.00 0.00 N ATOM 534 CA LEU A 40 7.738 14.262 -1.358 1.00 0.00 C ATOM 535 C LEU A 40 7.237 12.855 -1.665 1.00 0.00 C ATOM 536 O LEU A 40 6.720 12.150 -0.798 1.00 0.00 O ATOM 537 CB LEU A 40 8.835 14.204 -0.294 1.00 0.00 C ATOM 538 CG LEU A 40 10.236 13.852 -0.793 1.00 0.00 C ATOM 539 CD1 LEU A 40 10.248 12.466 -1.418 1.00 0.00 C ATOM 540 CD2 LEU A 40 10.725 14.893 -1.790 1.00 0.00 C ATOM 0 H LEU A 40 6.004 14.674 -0.252 1.00 0.00 H new ATOM 0 HA LEU A 40 8.150 14.689 -2.272 1.00 0.00 H new ATOM 0 HB2 LEU A 40 8.881 15.172 0.204 1.00 0.00 H new ATOM 0 HB3 LEU A 40 8.545 13.471 0.459 1.00 0.00 H new ATOM 0 HG LEU A 40 10.914 13.849 0.060 1.00 0.00 H new ATOM 0 HD11 LEU A 40 11.254 12.233 -1.767 1.00 0.00 H new ATOM 0 HD12 LEU A 40 9.942 11.729 -0.675 1.00 0.00 H new ATOM 0 HD13 LEU A 40 9.556 12.441 -2.260 1.00 0.00 H new ATOM 0 HD21 LEU A 40 11.724 14.626 -2.134 1.00 0.00 H new ATOM 0 HD22 LEU A 40 10.045 14.929 -2.641 1.00 0.00 H new ATOM 0 HD23 LEU A 40 10.756 15.871 -1.309 1.00 0.00 H new ATOM 552 N PRO A 41 7.394 12.433 -2.929 1.00 0.00 N ATOM 553 CA PRO A 41 6.967 11.105 -3.379 1.00 0.00 C ATOM 554 C PRO A 41 7.828 9.990 -2.796 1.00 0.00 C ATOM 555 O PRO A 41 8.905 9.688 -3.312 1.00 0.00 O ATOM 556 CB PRO A 41 7.138 11.173 -4.899 1.00 0.00 C ATOM 557 CG PRO A 41 8.185 12.211 -5.115 1.00 0.00 C ATOM 558 CD PRO A 41 8.003 13.220 -4.015 1.00 0.00 C ATOM 0 HA PRO A 41 5.950 10.875 -3.060 1.00 0.00 H new ATOM 0 HB2 PRO A 41 7.445 10.210 -5.307 1.00 0.00 H new ATOM 0 HB3 PRO A 41 6.204 11.444 -5.391 1.00 0.00 H new ATOM 0 HG2 PRO A 41 9.182 11.772 -5.081 1.00 0.00 H new ATOM 0 HG3 PRO A 41 8.076 12.677 -6.094 1.00 0.00 H new ATOM 0 HD2 PRO A 41 8.953 13.658 -3.710 1.00 0.00 H new ATOM 0 HD3 PRO A 41 7.358 14.042 -4.326 1.00 0.00 H new ATOM 566 N VAL A 42 7.348 9.380 -1.717 1.00 0.00 N ATOM 567 CA VAL A 42 8.073 8.297 -1.064 1.00 0.00 C ATOM 568 C VAL A 42 7.410 6.951 -1.332 1.00 0.00 C ATOM 569 O VAL A 42 6.184 6.853 -1.391 1.00 0.00 O ATOM 570 CB VAL A 42 8.163 8.519 0.458 1.00 0.00 C ATOM 571 CG1 VAL A 42 6.774 8.547 1.076 1.00 0.00 C ATOM 572 CG2 VAL A 42 9.021 7.441 1.103 1.00 0.00 C ATOM 0 H VAL A 42 6.459 9.618 -1.276 1.00 0.00 H new ATOM 0 HA VAL A 42 9.079 8.292 -1.483 1.00 0.00 H new ATOM 0 HB VAL A 42 8.635 9.484 0.640 1.00 0.00 H new ATOM 0 HG11 VAL A 42 6.857 8.705 2.151 1.00 0.00 H new ATOM 0 HG12 VAL A 42 6.195 9.358 0.634 1.00 0.00 H new ATOM 0 HG13 VAL A 42 6.272 7.598 0.886 1.00 0.00 H new ATOM 0 HG21 VAL A 42 9.074 7.613 2.178 1.00 0.00 H new ATOM 0 HG22 VAL A 42 8.579 6.463 0.913 1.00 0.00 H new ATOM 0 HG23 VAL A 42 10.025 7.474 0.680 1.00 0.00 H new ATOM 582 N ASP A 43 8.227 5.916 -1.493 1.00 0.00 N ATOM 583 CA ASP A 43 7.719 4.574 -1.753 1.00 0.00 C ATOM 584 C ASP A 43 8.412 3.549 -0.861 1.00 0.00 C ATOM 585 O ASP A 43 9.596 3.680 -0.549 1.00 0.00 O ATOM 586 CB ASP A 43 7.920 4.206 -3.224 1.00 0.00 C ATOM 587 CG ASP A 43 9.368 4.317 -3.656 1.00 0.00 C ATOM 588 OD1 ASP A 43 10.254 4.281 -2.777 1.00 0.00 O ATOM 589 OD2 ASP A 43 9.617 4.441 -4.874 1.00 0.00 O ATOM 0 H ASP A 43 9.244 5.981 -1.448 1.00 0.00 H new ATOM 0 HA ASP A 43 6.653 4.565 -1.526 1.00 0.00 H new ATOM 0 HB2 ASP A 43 7.571 3.187 -3.391 1.00 0.00 H new ATOM 0 HB3 ASP A 43 7.307 4.859 -3.846 1.00 0.00 H new ATOM 594 N PHE A 44 7.665 2.528 -0.452 1.00 0.00 N ATOM 595 CA PHE A 44 8.207 1.481 0.407 1.00 0.00 C ATOM 596 C PHE A 44 8.334 0.165 -0.355 1.00 0.00 C ATOM 597 O PHE A 44 8.071 0.102 -1.556 1.00 0.00 O ATOM 598 CB PHE A 44 7.315 1.287 1.635 1.00 0.00 C ATOM 599 CG PHE A 44 5.849 1.251 1.312 1.00 0.00 C ATOM 600 CD1 PHE A 44 5.135 2.426 1.136 1.00 0.00 C ATOM 601 CD2 PHE A 44 5.184 0.042 1.185 1.00 0.00 C ATOM 602 CE1 PHE A 44 3.786 2.396 0.838 1.00 0.00 C ATOM 603 CE2 PHE A 44 3.835 0.006 0.887 1.00 0.00 C ATOM 604 CZ PHE A 44 3.135 1.184 0.714 1.00 0.00 C ATOM 0 H PHE A 44 6.684 2.404 -0.701 1.00 0.00 H new ATOM 0 HA PHE A 44 9.200 1.790 0.733 1.00 0.00 H new ATOM 0 HB2 PHE A 44 7.592 0.357 2.132 1.00 0.00 H new ATOM 0 HB3 PHE A 44 7.503 2.095 2.342 1.00 0.00 H new ATOM 0 HD1 PHE A 44 5.639 3.376 1.233 1.00 0.00 H new ATOM 0 HD2 PHE A 44 5.726 -0.882 1.320 1.00 0.00 H new ATOM 0 HE1 PHE A 44 3.241 3.319 0.702 1.00 0.00 H new ATOM 0 HE2 PHE A 44 3.328 -0.943 0.789 1.00 0.00 H new ATOM 0 HZ PHE A 44 2.081 1.158 0.482 1.00 0.00 H new ATOM 614 N ALA A 45 8.742 -0.884 0.352 1.00 0.00 N ATOM 615 CA ALA A 45 8.903 -2.199 -0.256 1.00 0.00 C ATOM 616 C ALA A 45 8.239 -3.280 0.589 1.00 0.00 C ATOM 617 O ALA A 45 8.496 -3.390 1.788 1.00 0.00 O ATOM 618 CB ALA A 45 10.379 -2.512 -0.452 1.00 0.00 C ATOM 0 H ALA A 45 8.967 -0.849 1.346 1.00 0.00 H new ATOM 0 HA ALA A 45 8.413 -2.184 -1.230 1.00 0.00 H new ATOM 0 HB1 ALA A 45 10.485 -3.497 -0.907 1.00 0.00 H new ATOM 0 HB2 ALA A 45 10.827 -1.761 -1.103 1.00 0.00 H new ATOM 0 HB3 ALA A 45 10.884 -2.502 0.514 1.00 0.00 H new ATOM 624 N ILE A 46 7.383 -4.076 -0.043 1.00 0.00 N ATOM 625 CA ILE A 46 6.682 -5.149 0.652 1.00 0.00 C ATOM 626 C ILE A 46 7.379 -6.488 0.441 1.00 0.00 C ATOM 627 O ILE A 46 7.261 -7.101 -0.619 1.00 0.00 O ATOM 628 CB ILE A 46 5.220 -5.264 0.180 1.00 0.00 C ATOM 629 CG1 ILE A 46 4.481 -3.944 0.408 1.00 0.00 C ATOM 630 CG2 ILE A 46 4.518 -6.403 0.904 1.00 0.00 C ATOM 631 CD1 ILE A 46 3.285 -3.756 -0.498 1.00 0.00 C ATOM 0 H ILE A 46 7.158 -3.998 -1.035 1.00 0.00 H new ATOM 0 HA ILE A 46 6.695 -4.899 1.713 1.00 0.00 H new ATOM 0 HB ILE A 46 5.215 -5.481 -0.888 1.00 0.00 H new ATOM 0 HG12 ILE A 46 4.151 -3.896 1.446 1.00 0.00 H new ATOM 0 HG13 ILE A 46 5.175 -3.118 0.256 1.00 0.00 H new ATOM 0 HG21 ILE A 46 3.486 -6.472 0.560 1.00 0.00 H new ATOM 0 HG22 ILE A 46 5.034 -7.340 0.694 1.00 0.00 H new ATOM 0 HG23 ILE A 46 4.531 -6.214 1.977 1.00 0.00 H new ATOM 0 HD11 ILE A 46 2.810 -2.799 -0.280 1.00 0.00 H new ATOM 0 HD12 ILE A 46 3.611 -3.771 -1.538 1.00 0.00 H new ATOM 0 HD13 ILE A 46 2.571 -4.562 -0.330 1.00 0.00 H new ATOM 643 N ASP A 47 8.105 -6.937 1.459 1.00 0.00 N ATOM 644 CA ASP A 47 8.821 -8.206 1.388 1.00 0.00 C ATOM 645 C ASP A 47 7.970 -9.341 1.948 1.00 0.00 C ATOM 646 O ASP A 47 7.592 -9.328 3.119 1.00 0.00 O ATOM 647 CB ASP A 47 10.141 -8.115 2.155 1.00 0.00 C ATOM 648 CG ASP A 47 11.020 -6.983 1.662 1.00 0.00 C ATOM 649 OD1 ASP A 47 10.746 -5.819 2.023 1.00 0.00 O ATOM 650 OD2 ASP A 47 11.982 -7.260 0.915 1.00 0.00 O ATOM 0 H ASP A 47 8.213 -6.441 2.344 1.00 0.00 H new ATOM 0 HA ASP A 47 9.033 -8.418 0.340 1.00 0.00 H new ATOM 0 HB2 ASP A 47 9.933 -7.974 3.216 1.00 0.00 H new ATOM 0 HB3 ASP A 47 10.680 -9.058 2.059 1.00 0.00 H new ATOM 655 N ALA A 48 7.670 -10.322 1.102 1.00 0.00 N ATOM 656 CA ALA A 48 6.865 -11.465 1.512 1.00 0.00 C ATOM 657 C ALA A 48 7.702 -12.739 1.558 1.00 0.00 C ATOM 658 O ALA A 48 8.335 -13.112 0.570 1.00 0.00 O ATOM 659 CB ALA A 48 5.682 -11.642 0.572 1.00 0.00 C ATOM 0 H ALA A 48 7.973 -10.347 0.128 1.00 0.00 H new ATOM 0 HA ALA A 48 6.491 -11.272 2.517 1.00 0.00 H new ATOM 0 HB1 ALA A 48 5.089 -12.500 0.890 1.00 0.00 H new ATOM 0 HB2 ALA A 48 5.063 -10.745 0.593 1.00 0.00 H new ATOM 0 HB3 ALA A 48 6.045 -11.808 -0.442 1.00 0.00 H new ATOM 665 N ARG A 49 7.702 -13.401 2.710 1.00 0.00 N ATOM 666 CA ARG A 49 8.464 -14.632 2.884 1.00 0.00 C ATOM 667 C ARG A 49 7.578 -15.855 2.664 1.00 0.00 C ATOM 668 O ARG A 49 7.867 -16.698 1.815 1.00 0.00 O ATOM 669 CB ARG A 49 9.082 -14.681 4.283 1.00 0.00 C ATOM 670 CG ARG A 49 9.908 -13.452 4.627 1.00 0.00 C ATOM 671 CD ARG A 49 11.278 -13.500 3.969 1.00 0.00 C ATOM 672 NE ARG A 49 11.920 -12.189 3.947 1.00 0.00 N ATOM 673 CZ ARG A 49 13.230 -12.014 3.813 1.00 0.00 C ATOM 674 NH1 ARG A 49 14.033 -13.062 3.690 1.00 0.00 N ATOM 675 NH2 ARG A 49 13.740 -10.789 3.801 1.00 0.00 N ATOM 0 H ARG A 49 7.183 -13.106 3.537 1.00 0.00 H new ATOM 0 HA ARG A 49 9.262 -14.644 2.141 1.00 0.00 H new ATOM 0 HB2 ARG A 49 8.286 -14.791 5.019 1.00 0.00 H new ATOM 0 HB3 ARG A 49 9.713 -15.566 4.361 1.00 0.00 H new ATOM 0 HG2 ARG A 49 9.379 -12.555 4.304 1.00 0.00 H new ATOM 0 HG3 ARG A 49 10.025 -13.382 5.708 1.00 0.00 H new ATOM 0 HD2 ARG A 49 11.913 -14.206 4.505 1.00 0.00 H new ATOM 0 HD3 ARG A 49 11.178 -13.872 2.949 1.00 0.00 H new ATOM 0 HE ARG A 49 11.330 -11.362 4.040 1.00 0.00 H new ATOM 0 HH11 ARG A 49 13.645 -14.005 3.698 1.00 0.00 H new ATOM 0 HH12 ARG A 49 15.038 -12.925 3.587 1.00 0.00 H new ATOM 0 HH21 ARG A 49 13.126 -9.980 3.895 1.00 0.00 H new ATOM 0 HH22 ARG A 49 14.746 -10.656 3.698 1.00 0.00 H new ATOM 689 N ASP A 50 6.500 -15.944 3.435 1.00 0.00 N ATOM 690 CA ASP A 50 5.572 -17.064 3.325 1.00 0.00 C ATOM 691 C ASP A 50 4.160 -16.571 3.026 1.00 0.00 C ATOM 692 O ASP A 50 3.178 -17.240 3.346 1.00 0.00 O ATOM 693 CB ASP A 50 5.576 -17.887 4.614 1.00 0.00 C ATOM 694 CG ASP A 50 6.576 -19.025 4.571 1.00 0.00 C ATOM 695 OD1 ASP A 50 6.656 -19.706 3.527 1.00 0.00 O ATOM 696 OD2 ASP A 50 7.280 -19.235 5.581 1.00 0.00 O ATOM 0 H ASP A 50 6.247 -15.254 4.143 1.00 0.00 H new ATOM 0 HA ASP A 50 5.900 -17.696 2.500 1.00 0.00 H new ATOM 0 HB2 ASP A 50 5.807 -17.236 5.457 1.00 0.00 H new ATOM 0 HB3 ASP A 50 4.578 -18.290 4.787 1.00 0.00 H new ATOM 701 N ALA A 51 4.066 -15.396 2.412 1.00 0.00 N ATOM 702 CA ALA A 51 2.774 -14.814 2.070 1.00 0.00 C ATOM 703 C ALA A 51 2.296 -15.303 0.707 1.00 0.00 C ATOM 704 O ALA A 51 1.403 -14.711 0.102 1.00 0.00 O ATOM 705 CB ALA A 51 2.858 -13.295 2.088 1.00 0.00 C ATOM 0 H ALA A 51 4.869 -14.829 2.141 1.00 0.00 H new ATOM 0 HA ALA A 51 2.049 -15.136 2.818 1.00 0.00 H new ATOM 0 HB1 ALA A 51 1.886 -12.874 1.831 1.00 0.00 H new ATOM 0 HB2 ALA A 51 3.147 -12.958 3.084 1.00 0.00 H new ATOM 0 HB3 ALA A 51 3.601 -12.963 1.363 1.00 0.00 H new ATOM 711 N GLY A 52 2.896 -16.389 0.229 1.00 0.00 N ATOM 712 CA GLY A 52 2.518 -16.938 -1.060 1.00 0.00 C ATOM 713 C GLY A 52 2.261 -15.863 -2.097 1.00 0.00 C ATOM 714 O GLY A 52 3.071 -14.952 -2.269 1.00 0.00 O ATOM 0 H GLY A 52 3.637 -16.898 0.711 1.00 0.00 H new ATOM 0 HA2 GLY A 52 3.308 -17.599 -1.415 1.00 0.00 H new ATOM 0 HA3 GLY A 52 1.622 -17.547 -0.943 1.00 0.00 H new ATOM 718 N GLU A 53 1.131 -15.968 -2.789 1.00 0.00 N ATOM 719 CA GLU A 53 0.772 -14.997 -3.816 1.00 0.00 C ATOM 720 C GLU A 53 -0.706 -14.629 -3.722 1.00 0.00 C ATOM 721 O GLU A 53 -1.575 -15.500 -3.701 1.00 0.00 O ATOM 722 CB GLU A 53 1.083 -15.554 -5.207 1.00 0.00 C ATOM 723 CG GLU A 53 0.165 -16.689 -5.627 1.00 0.00 C ATOM 724 CD GLU A 53 0.762 -17.545 -6.728 1.00 0.00 C ATOM 725 OE1 GLU A 53 1.082 -16.993 -7.801 1.00 0.00 O ATOM 726 OE2 GLU A 53 0.909 -18.767 -6.514 1.00 0.00 O ATOM 0 H GLU A 53 0.449 -16.715 -2.657 1.00 0.00 H new ATOM 0 HA GLU A 53 1.365 -14.097 -3.653 1.00 0.00 H new ATOM 0 HB2 GLU A 53 1.008 -14.748 -5.937 1.00 0.00 H new ATOM 0 HB3 GLU A 53 2.114 -15.906 -5.226 1.00 0.00 H new ATOM 0 HG2 GLU A 53 -0.051 -17.316 -4.762 1.00 0.00 H new ATOM 0 HG3 GLU A 53 -0.785 -16.276 -5.967 1.00 0.00 H new ATOM 733 N GLY A 54 -0.984 -13.329 -3.666 1.00 0.00 N ATOM 734 CA GLY A 54 -2.357 -12.868 -3.574 1.00 0.00 C ATOM 735 C GLY A 54 -2.531 -11.458 -4.104 1.00 0.00 C ATOM 736 O GLY A 54 -1.552 -10.784 -4.430 1.00 0.00 O ATOM 0 H GLY A 54 -0.283 -12.588 -3.683 1.00 0.00 H new ATOM 0 HA2 GLY A 54 -3.003 -13.545 -4.133 1.00 0.00 H new ATOM 0 HA3 GLY A 54 -2.681 -12.905 -2.534 1.00 0.00 H new ATOM 740 N LEU A 55 -3.778 -11.011 -4.193 1.00 0.00 N ATOM 741 CA LEU A 55 -4.078 -9.672 -4.689 1.00 0.00 C ATOM 742 C LEU A 55 -3.836 -8.624 -3.608 1.00 0.00 C ATOM 743 O LEU A 55 -4.561 -8.563 -2.614 1.00 0.00 O ATOM 744 CB LEU A 55 -5.528 -9.599 -5.172 1.00 0.00 C ATOM 745 CG LEU A 55 -5.886 -8.390 -6.038 1.00 0.00 C ATOM 746 CD1 LEU A 55 -7.166 -8.652 -6.815 1.00 0.00 C ATOM 747 CD2 LEU A 55 -6.027 -7.142 -5.180 1.00 0.00 C ATOM 0 H LEU A 55 -4.599 -11.556 -3.928 1.00 0.00 H new ATOM 0 HA LEU A 55 -3.412 -9.463 -5.526 1.00 0.00 H new ATOM 0 HB2 LEU A 55 -5.748 -10.504 -5.738 1.00 0.00 H new ATOM 0 HB3 LEU A 55 -6.181 -9.602 -4.300 1.00 0.00 H new ATOM 0 HG LEU A 55 -5.078 -8.226 -6.752 1.00 0.00 H new ATOM 0 HD11 LEU A 55 -7.406 -7.781 -7.426 1.00 0.00 H new ATOM 0 HD12 LEU A 55 -7.029 -9.521 -7.459 1.00 0.00 H new ATOM 0 HD13 LEU A 55 -7.982 -8.842 -6.118 1.00 0.00 H new ATOM 0 HD21 LEU A 55 -6.282 -6.292 -5.813 1.00 0.00 H new ATOM 0 HD22 LEU A 55 -6.815 -7.294 -4.443 1.00 0.00 H new ATOM 0 HD23 LEU A 55 -5.085 -6.944 -4.668 1.00 0.00 H new ATOM 759 N LEU A 56 -2.814 -7.799 -3.809 1.00 0.00 N ATOM 760 CA LEU A 56 -2.478 -6.751 -2.852 1.00 0.00 C ATOM 761 C LEU A 56 -3.234 -5.464 -3.166 1.00 0.00 C ATOM 762 O LEU A 56 -3.444 -5.124 -4.330 1.00 0.00 O ATOM 763 CB LEU A 56 -0.971 -6.486 -2.864 1.00 0.00 C ATOM 764 CG LEU A 56 -0.499 -5.260 -2.082 1.00 0.00 C ATOM 765 CD1 LEU A 56 -0.238 -5.622 -0.629 1.00 0.00 C ATOM 766 CD2 LEU A 56 0.751 -4.670 -2.720 1.00 0.00 C ATOM 0 H LEU A 56 -2.204 -7.836 -4.626 1.00 0.00 H new ATOM 0 HA LEU A 56 -2.773 -7.091 -1.860 1.00 0.00 H new ATOM 0 HB2 LEU A 56 -0.465 -7.364 -2.464 1.00 0.00 H new ATOM 0 HB3 LEU A 56 -0.650 -6.377 -3.900 1.00 0.00 H new ATOM 0 HG LEU A 56 -1.287 -4.508 -2.111 1.00 0.00 H new ATOM 0 HD11 LEU A 56 0.097 -4.737 -0.088 1.00 0.00 H new ATOM 0 HD12 LEU A 56 -1.156 -5.998 -0.177 1.00 0.00 H new ATOM 0 HD13 LEU A 56 0.532 -6.391 -0.578 1.00 0.00 H new ATOM 0 HD21 LEU A 56 1.073 -3.798 -2.151 1.00 0.00 H new ATOM 0 HD22 LEU A 56 1.545 -5.416 -2.722 1.00 0.00 H new ATOM 0 HD23 LEU A 56 0.530 -4.373 -3.745 1.00 0.00 H new ATOM 778 N ALA A 57 -3.638 -4.750 -2.120 1.00 0.00 N ATOM 779 CA ALA A 57 -4.367 -3.499 -2.285 1.00 0.00 C ATOM 780 C ALA A 57 -3.701 -2.370 -1.506 1.00 0.00 C ATOM 781 O ALA A 57 -2.996 -2.610 -0.525 1.00 0.00 O ATOM 782 CB ALA A 57 -5.812 -3.668 -1.841 1.00 0.00 C ATOM 0 H ALA A 57 -3.473 -5.017 -1.150 1.00 0.00 H new ATOM 0 HA ALA A 57 -4.352 -3.235 -3.342 1.00 0.00 H new ATOM 0 HB1 ALA A 57 -6.345 -2.726 -1.970 1.00 0.00 H new ATOM 0 HB2 ALA A 57 -6.290 -4.440 -2.444 1.00 0.00 H new ATOM 0 HB3 ALA A 57 -5.838 -3.959 -0.791 1.00 0.00 H new ATOM 788 N VAL A 58 -3.929 -1.137 -1.948 1.00 0.00 N ATOM 789 CA VAL A 58 -3.351 0.030 -1.292 1.00 0.00 C ATOM 790 C VAL A 58 -4.432 1.028 -0.893 1.00 0.00 C ATOM 791 O VAL A 58 -5.132 1.572 -1.747 1.00 0.00 O ATOM 792 CB VAL A 58 -2.327 0.735 -2.201 1.00 0.00 C ATOM 793 CG1 VAL A 58 -1.764 1.970 -1.513 1.00 0.00 C ATOM 794 CG2 VAL A 58 -1.211 -0.224 -2.590 1.00 0.00 C ATOM 0 H VAL A 58 -4.510 -0.921 -2.758 1.00 0.00 H new ATOM 0 HA VAL A 58 -2.844 -0.329 -0.396 1.00 0.00 H new ATOM 0 HB VAL A 58 -2.834 1.055 -3.111 1.00 0.00 H new ATOM 0 HG11 VAL A 58 -1.042 2.455 -2.170 1.00 0.00 H new ATOM 0 HG12 VAL A 58 -2.575 2.663 -1.290 1.00 0.00 H new ATOM 0 HG13 VAL A 58 -1.271 1.677 -0.586 1.00 0.00 H new ATOM 0 HG21 VAL A 58 -0.496 0.291 -3.232 1.00 0.00 H new ATOM 0 HG22 VAL A 58 -0.704 -0.576 -1.692 1.00 0.00 H new ATOM 0 HG23 VAL A 58 -1.633 -1.075 -3.125 1.00 0.00 H new ATOM 804 N GLN A 59 -4.562 1.263 0.408 1.00 0.00 N ATOM 805 CA GLN A 59 -5.559 2.196 0.920 1.00 0.00 C ATOM 806 C GLN A 59 -4.897 3.325 1.704 1.00 0.00 C ATOM 807 O GLN A 59 -4.354 3.105 2.787 1.00 0.00 O ATOM 808 CB GLN A 59 -6.565 1.464 1.809 1.00 0.00 C ATOM 809 CG GLN A 59 -7.860 2.231 2.022 1.00 0.00 C ATOM 810 CD GLN A 59 -8.534 1.885 3.335 1.00 0.00 C ATOM 811 OE1 GLN A 59 -9.096 0.800 3.491 1.00 0.00 O ATOM 812 NE2 GLN A 59 -8.482 2.807 4.288 1.00 0.00 N ATOM 0 H GLN A 59 -3.990 0.820 1.127 1.00 0.00 H new ATOM 0 HA GLN A 59 -6.085 2.629 0.069 1.00 0.00 H new ATOM 0 HB2 GLN A 59 -6.795 0.496 1.363 1.00 0.00 H new ATOM 0 HB3 GLN A 59 -6.105 1.267 2.778 1.00 0.00 H new ATOM 0 HG2 GLN A 59 -7.653 3.301 1.995 1.00 0.00 H new ATOM 0 HG3 GLN A 59 -8.543 2.018 1.200 1.00 0.00 H new ATOM 0 HE21 GLN A 59 -8.006 3.692 4.116 1.00 0.00 H new ATOM 0 HE22 GLN A 59 -8.918 2.630 5.193 1.00 0.00 H new ATOM 821 N ILE A 60 -4.945 4.531 1.149 1.00 0.00 N ATOM 822 CA ILE A 60 -4.351 5.694 1.797 1.00 0.00 C ATOM 823 C ILE A 60 -5.401 6.764 2.077 1.00 0.00 C ATOM 824 O ILE A 60 -6.153 7.160 1.187 1.00 0.00 O ATOM 825 CB ILE A 60 -3.228 6.304 0.938 1.00 0.00 C ATOM 826 CG1 ILE A 60 -2.135 5.266 0.676 1.00 0.00 C ATOM 827 CG2 ILE A 60 -2.646 7.533 1.622 1.00 0.00 C ATOM 828 CD1 ILE A 60 -1.197 5.647 -0.448 1.00 0.00 C ATOM 0 H ILE A 60 -5.389 4.729 0.252 1.00 0.00 H new ATOM 0 HA ILE A 60 -3.929 5.348 2.740 1.00 0.00 H new ATOM 0 HB ILE A 60 -3.649 6.610 -0.020 1.00 0.00 H new ATOM 0 HG12 ILE A 60 -1.556 5.122 1.588 1.00 0.00 H new ATOM 0 HG13 ILE A 60 -2.602 4.310 0.440 1.00 0.00 H new ATOM 0 HG21 ILE A 60 -1.853 7.953 1.003 1.00 0.00 H new ATOM 0 HG22 ILE A 60 -3.430 8.277 1.762 1.00 0.00 H new ATOM 0 HG23 ILE A 60 -2.237 7.250 2.592 1.00 0.00 H new ATOM 0 HD11 ILE A 60 -0.448 4.866 -0.578 1.00 0.00 H new ATOM 0 HD12 ILE A 60 -1.764 5.763 -1.372 1.00 0.00 H new ATOM 0 HD13 ILE A 60 -0.702 6.587 -0.206 1.00 0.00 H new ATOM 840 N THR A 61 -5.445 7.230 3.322 1.00 0.00 N ATOM 841 CA THR A 61 -6.401 8.255 3.720 1.00 0.00 C ATOM 842 C THR A 61 -5.752 9.289 4.633 1.00 0.00 C ATOM 843 O THR A 61 -4.640 9.087 5.123 1.00 0.00 O ATOM 844 CB THR A 61 -7.616 7.641 4.441 1.00 0.00 C ATOM 845 OG1 THR A 61 -7.175 6.713 5.439 1.00 0.00 O ATOM 846 CG2 THR A 61 -8.531 6.934 3.452 1.00 0.00 C ATOM 0 H THR A 61 -4.830 6.913 4.071 1.00 0.00 H new ATOM 0 HA THR A 61 -6.739 8.743 2.806 1.00 0.00 H new ATOM 0 HB THR A 61 -8.175 8.447 4.917 1.00 0.00 H new ATOM 0 HG1 THR A 61 -7.953 6.328 5.894 1.00 0.00 H new ATOM 0 HG21 THR A 61 -9.382 6.508 3.984 1.00 0.00 H new ATOM 0 HG22 THR A 61 -8.887 7.649 2.711 1.00 0.00 H new ATOM 0 HG23 THR A 61 -7.980 6.137 2.952 1.00 0.00 H new ATOM 854 N ASP A 62 -6.452 10.395 4.859 1.00 0.00 N ATOM 855 CA ASP A 62 -5.943 11.459 5.716 1.00 0.00 C ATOM 856 C ASP A 62 -6.768 11.569 6.995 1.00 0.00 C ATOM 857 O ASP A 62 -7.684 10.779 7.222 1.00 0.00 O ATOM 858 CB ASP A 62 -5.957 12.794 4.970 1.00 0.00 C ATOM 859 CG ASP A 62 -7.199 12.970 4.120 1.00 0.00 C ATOM 860 OD1 ASP A 62 -8.313 12.936 4.683 1.00 0.00 O ATOM 861 OD2 ASP A 62 -7.058 13.140 2.890 1.00 0.00 O ATOM 0 H ASP A 62 -7.373 10.578 4.461 1.00 0.00 H new ATOM 0 HA ASP A 62 -4.916 11.213 5.987 1.00 0.00 H new ATOM 0 HB2 ASP A 62 -5.895 13.610 5.690 1.00 0.00 H new ATOM 0 HB3 ASP A 62 -5.073 12.861 4.335 1.00 0.00 H new ATOM 866 N GLN A 63 -6.437 12.552 7.825 1.00 0.00 N ATOM 867 CA GLN A 63 -7.146 12.763 9.081 1.00 0.00 C ATOM 868 C GLN A 63 -8.653 12.824 8.852 1.00 0.00 C ATOM 869 O GLN A 63 -9.435 12.343 9.671 1.00 0.00 O ATOM 870 CB GLN A 63 -6.668 14.052 9.752 1.00 0.00 C ATOM 871 CG GLN A 63 -6.959 15.304 8.940 1.00 0.00 C ATOM 872 CD GLN A 63 -6.014 16.444 9.266 1.00 0.00 C ATOM 873 OE1 GLN A 63 -5.272 16.389 10.247 1.00 0.00 O ATOM 874 NE2 GLN A 63 -6.036 17.485 8.442 1.00 0.00 N ATOM 0 H GLN A 63 -5.682 13.215 7.650 1.00 0.00 H new ATOM 0 HA GLN A 63 -6.930 11.919 9.736 1.00 0.00 H new ATOM 0 HB2 GLN A 63 -7.145 14.143 10.728 1.00 0.00 H new ATOM 0 HB3 GLN A 63 -5.594 13.984 9.927 1.00 0.00 H new ATOM 0 HG2 GLN A 63 -6.886 15.069 7.878 1.00 0.00 H new ATOM 0 HG3 GLN A 63 -7.985 15.623 9.126 1.00 0.00 H new ATOM 0 HE21 GLN A 63 -6.667 17.488 7.641 1.00 0.00 H new ATOM 0 HE22 GLN A 63 -5.422 18.282 8.610 1.00 0.00 H new ATOM 883 N GLU A 64 -9.052 13.419 7.732 1.00 0.00 N ATOM 884 CA GLU A 64 -10.466 13.543 7.396 1.00 0.00 C ATOM 885 C GLU A 64 -11.008 12.234 6.829 1.00 0.00 C ATOM 886 O GLU A 64 -12.206 11.966 6.895 1.00 0.00 O ATOM 887 CB GLU A 64 -10.675 14.674 6.387 1.00 0.00 C ATOM 888 CG GLU A 64 -12.132 14.896 6.016 1.00 0.00 C ATOM 889 CD GLU A 64 -12.865 15.761 7.022 1.00 0.00 C ATOM 890 OE1 GLU A 64 -12.231 16.673 7.593 1.00 0.00 O ATOM 891 OE2 GLU A 64 -14.072 15.527 7.240 1.00 0.00 O ATOM 0 H GLU A 64 -8.417 13.822 7.043 1.00 0.00 H new ATOM 0 HA GLU A 64 -11.012 13.776 8.311 1.00 0.00 H new ATOM 0 HB2 GLU A 64 -10.269 15.598 6.800 1.00 0.00 H new ATOM 0 HB3 GLU A 64 -10.108 14.453 5.483 1.00 0.00 H new ATOM 0 HG2 GLU A 64 -12.185 15.364 5.033 1.00 0.00 H new ATOM 0 HG3 GLU A 64 -12.634 13.932 5.938 1.00 0.00 H new ATOM 898 N GLY A 65 -10.114 11.422 6.272 1.00 0.00 N ATOM 899 CA GLY A 65 -10.521 10.152 5.701 1.00 0.00 C ATOM 900 C GLY A 65 -10.812 10.249 4.216 1.00 0.00 C ATOM 901 O GLY A 65 -11.677 9.544 3.697 1.00 0.00 O ATOM 0 H GLY A 65 -9.116 11.621 6.206 1.00 0.00 H new ATOM 0 HA2 GLY A 65 -9.736 9.415 5.867 1.00 0.00 H new ATOM 0 HA3 GLY A 65 -11.410 9.793 6.219 1.00 0.00 H new ATOM 905 N LYS A 66 -10.089 11.128 3.530 1.00 0.00 N ATOM 906 CA LYS A 66 -10.273 11.317 2.096 1.00 0.00 C ATOM 907 C LYS A 66 -9.303 10.446 1.304 1.00 0.00 C ATOM 908 O LYS A 66 -8.238 10.063 1.787 1.00 0.00 O ATOM 909 CB LYS A 66 -10.073 12.788 1.725 1.00 0.00 C ATOM 910 CG LYS A 66 -11.227 13.683 2.143 1.00 0.00 C ATOM 911 CD LYS A 66 -12.407 13.550 1.195 1.00 0.00 C ATOM 912 CE LYS A 66 -12.171 14.313 -0.099 1.00 0.00 C ATOM 913 NZ LYS A 66 -12.326 15.782 0.087 1.00 0.00 N ATOM 0 H LYS A 66 -9.370 11.721 3.944 1.00 0.00 H new ATOM 0 HA LYS A 66 -11.291 11.020 1.843 1.00 0.00 H new ATOM 0 HB2 LYS A 66 -9.156 13.150 2.191 1.00 0.00 H new ATOM 0 HB3 LYS A 66 -9.935 12.867 0.647 1.00 0.00 H new ATOM 0 HG2 LYS A 66 -11.541 13.425 3.154 1.00 0.00 H new ATOM 0 HG3 LYS A 66 -10.894 14.721 2.167 1.00 0.00 H new ATOM 0 HD2 LYS A 66 -12.579 12.497 0.972 1.00 0.00 H new ATOM 0 HD3 LYS A 66 -13.309 13.924 1.680 1.00 0.00 H new ATOM 0 HE2 LYS A 66 -11.169 14.098 -0.470 1.00 0.00 H new ATOM 0 HE3 LYS A 66 -12.873 13.967 -0.858 1.00 0.00 H new ATOM 0 HZ1 LYS A 66 -12.326 16.251 -0.841 1.00 0.00 H new ATOM 0 HZ2 LYS A 66 -13.224 15.977 0.574 1.00 0.00 H new ATOM 0 HZ3 LYS A 66 -11.536 16.145 0.658 1.00 0.00 H new ATOM 927 N PRO A 67 -9.677 10.127 0.056 1.00 0.00 N ATOM 928 CA PRO A 67 -8.854 9.299 -0.831 1.00 0.00 C ATOM 929 C PRO A 67 -7.591 10.021 -1.289 1.00 0.00 C ATOM 930 O PRO A 67 -7.586 11.241 -1.454 1.00 0.00 O ATOM 931 CB PRO A 67 -9.777 9.027 -2.021 1.00 0.00 C ATOM 932 CG PRO A 67 -10.734 10.169 -2.027 1.00 0.00 C ATOM 933 CD PRO A 67 -10.934 10.549 -0.586 1.00 0.00 C ATOM 0 HA PRO A 67 -8.501 8.395 -0.334 1.00 0.00 H new ATOM 0 HB2 PRO A 67 -9.216 8.976 -2.954 1.00 0.00 H new ATOM 0 HB3 PRO A 67 -10.297 8.075 -1.909 1.00 0.00 H new ATOM 0 HG2 PRO A 67 -10.338 11.007 -2.600 1.00 0.00 H new ATOM 0 HG3 PRO A 67 -11.679 9.884 -2.490 1.00 0.00 H new ATOM 0 HD2 PRO A 67 -11.103 11.620 -0.473 1.00 0.00 H new ATOM 0 HD3 PRO A 67 -11.796 10.042 -0.153 1.00 0.00 H new ATOM 941 N LYS A 68 -6.522 9.260 -1.495 1.00 0.00 N ATOM 942 CA LYS A 68 -5.252 9.826 -1.937 1.00 0.00 C ATOM 943 C LYS A 68 -4.706 9.062 -3.139 1.00 0.00 C ATOM 944 O LYS A 68 -4.761 7.833 -3.183 1.00 0.00 O ATOM 945 CB LYS A 68 -4.233 9.798 -0.795 1.00 0.00 C ATOM 946 CG LYS A 68 -4.256 11.047 0.070 1.00 0.00 C ATOM 947 CD LYS A 68 -3.436 12.168 -0.547 1.00 0.00 C ATOM 948 CE LYS A 68 -3.962 13.534 -0.135 1.00 0.00 C ATOM 949 NZ LYS A 68 -3.052 14.631 -0.567 1.00 0.00 N ATOM 0 H LYS A 68 -6.509 8.249 -1.363 1.00 0.00 H new ATOM 0 HA LYS A 68 -5.427 10.860 -2.234 1.00 0.00 H new ATOM 0 HB2 LYS A 68 -4.426 8.928 -0.168 1.00 0.00 H new ATOM 0 HB3 LYS A 68 -3.234 9.674 -1.213 1.00 0.00 H new ATOM 0 HG2 LYS A 68 -5.286 11.379 0.204 1.00 0.00 H new ATOM 0 HG3 LYS A 68 -3.866 10.812 1.060 1.00 0.00 H new ATOM 0 HD2 LYS A 68 -2.395 12.070 -0.240 1.00 0.00 H new ATOM 0 HD3 LYS A 68 -3.458 12.081 -1.633 1.00 0.00 H new ATOM 0 HE2 LYS A 68 -4.950 13.689 -0.569 1.00 0.00 H new ATOM 0 HE3 LYS A 68 -4.081 13.566 0.948 1.00 0.00 H new ATOM 0 HZ1 LYS A 68 -2.552 15.014 0.261 1.00 0.00 H new ATOM 0 HZ2 LYS A 68 -2.360 14.260 -1.248 1.00 0.00 H new ATOM 0 HZ3 LYS A 68 -3.608 15.387 -1.015 1.00 0.00 H new ATOM 963 N ARG A 69 -4.176 9.798 -4.110 1.00 0.00 N ATOM 964 CA ARG A 69 -3.619 9.190 -5.312 1.00 0.00 C ATOM 965 C ARG A 69 -2.336 8.428 -4.992 1.00 0.00 C ATOM 966 O ARG A 69 -1.399 8.984 -4.421 1.00 0.00 O ATOM 967 CB ARG A 69 -3.338 10.261 -6.368 1.00 0.00 C ATOM 968 CG ARG A 69 -2.547 9.748 -7.560 1.00 0.00 C ATOM 969 CD ARG A 69 -1.932 10.890 -8.354 1.00 0.00 C ATOM 970 NE ARG A 69 -2.857 11.423 -9.352 1.00 0.00 N ATOM 971 CZ ARG A 69 -2.819 12.675 -9.794 1.00 0.00 C ATOM 972 NH1 ARG A 69 -1.908 13.519 -9.329 1.00 0.00 N ATOM 973 NH2 ARG A 69 -3.695 13.086 -10.703 1.00 0.00 N ATOM 0 H ARG A 69 -4.121 10.816 -4.088 1.00 0.00 H new ATOM 0 HA ARG A 69 -4.352 8.485 -5.705 1.00 0.00 H new ATOM 0 HB2 ARG A 69 -4.285 10.670 -6.720 1.00 0.00 H new ATOM 0 HB3 ARG A 69 -2.790 11.081 -5.905 1.00 0.00 H new ATOM 0 HG2 ARG A 69 -1.759 9.078 -7.214 1.00 0.00 H new ATOM 0 HG3 ARG A 69 -3.201 9.164 -8.208 1.00 0.00 H new ATOM 0 HD2 ARG A 69 -1.635 11.687 -7.672 1.00 0.00 H new ATOM 0 HD3 ARG A 69 -1.026 10.541 -8.849 1.00 0.00 H new ATOM 0 HE ARG A 69 -3.571 10.800 -9.730 1.00 0.00 H new ATOM 0 HH11 ARG A 69 -1.234 13.207 -8.630 1.00 0.00 H new ATOM 0 HH12 ARG A 69 -1.881 14.480 -9.670 1.00 0.00 H new ATOM 0 HH21 ARG A 69 -4.398 12.440 -11.062 1.00 0.00 H new ATOM 0 HH22 ARG A 69 -3.665 14.048 -11.042 1.00 0.00 H new ATOM 987 N ALA A 70 -2.304 7.152 -5.362 1.00 0.00 N ATOM 988 CA ALA A 70 -1.137 6.315 -5.116 1.00 0.00 C ATOM 989 C ALA A 70 -0.763 5.514 -6.359 1.00 0.00 C ATOM 990 O ALA A 70 -1.617 5.208 -7.191 1.00 0.00 O ATOM 991 CB ALA A 70 -1.396 5.381 -3.943 1.00 0.00 C ATOM 0 H ALA A 70 -3.073 6.676 -5.833 1.00 0.00 H new ATOM 0 HA ALA A 70 -0.299 6.967 -4.870 1.00 0.00 H new ATOM 0 HB1 ALA A 70 -0.516 4.761 -3.770 1.00 0.00 H new ATOM 0 HB2 ALA A 70 -1.607 5.969 -3.050 1.00 0.00 H new ATOM 0 HB3 ALA A 70 -2.251 4.743 -4.168 1.00 0.00 H new ATOM 997 N ILE A 71 0.517 5.179 -6.478 1.00 0.00 N ATOM 998 CA ILE A 71 1.003 4.414 -7.619 1.00 0.00 C ATOM 999 C ILE A 71 1.407 3.003 -7.204 1.00 0.00 C ATOM 1000 O ILE A 71 1.912 2.789 -6.102 1.00 0.00 O ATOM 1001 CB ILE A 71 2.206 5.104 -8.289 1.00 0.00 C ATOM 1002 CG1 ILE A 71 1.833 6.524 -8.718 1.00 0.00 C ATOM 1003 CG2 ILE A 71 2.684 4.292 -9.484 1.00 0.00 C ATOM 1004 CD1 ILE A 71 3.005 7.481 -8.725 1.00 0.00 C ATOM 0 H ILE A 71 1.236 5.425 -5.798 1.00 0.00 H new ATOM 0 HA ILE A 71 0.182 4.359 -8.334 1.00 0.00 H new ATOM 0 HB ILE A 71 3.020 5.165 -7.567 1.00 0.00 H new ATOM 0 HG12 ILE A 71 1.396 6.490 -9.716 1.00 0.00 H new ATOM 0 HG13 ILE A 71 1.065 6.908 -8.046 1.00 0.00 H new ATOM 0 HG21 ILE A 71 3.535 4.792 -9.947 1.00 0.00 H new ATOM 0 HG22 ILE A 71 2.984 3.298 -9.152 1.00 0.00 H new ATOM 0 HG23 ILE A 71 1.876 4.203 -10.210 1.00 0.00 H new ATOM 0 HD11 ILE A 71 2.667 8.468 -9.039 1.00 0.00 H new ATOM 0 HD12 ILE A 71 3.429 7.544 -7.723 1.00 0.00 H new ATOM 0 HD13 ILE A 71 3.765 7.121 -9.418 1.00 0.00 H new ATOM 1016 N VAL A 72 1.183 2.043 -8.095 1.00 0.00 N ATOM 1017 CA VAL A 72 1.526 0.652 -7.823 1.00 0.00 C ATOM 1018 C VAL A 72 2.705 0.199 -8.677 1.00 0.00 C ATOM 1019 O VAL A 72 2.587 0.067 -9.896 1.00 0.00 O ATOM 1020 CB VAL A 72 0.330 -0.283 -8.082 1.00 0.00 C ATOM 1021 CG1 VAL A 72 -0.344 0.065 -9.401 1.00 0.00 C ATOM 1022 CG2 VAL A 72 0.777 -1.737 -8.069 1.00 0.00 C ATOM 0 H VAL A 72 0.765 2.203 -9.012 1.00 0.00 H new ATOM 0 HA VAL A 72 1.801 0.595 -6.770 1.00 0.00 H new ATOM 0 HB VAL A 72 -0.397 -0.144 -7.282 1.00 0.00 H new ATOM 0 HG11 VAL A 72 -1.187 -0.606 -9.567 1.00 0.00 H new ATOM 0 HG12 VAL A 72 -0.701 1.094 -9.367 1.00 0.00 H new ATOM 0 HG13 VAL A 72 0.372 -0.044 -10.215 1.00 0.00 H new ATOM 0 HG21 VAL A 72 -0.081 -2.383 -8.254 1.00 0.00 H new ATOM 0 HG22 VAL A 72 1.524 -1.895 -8.847 1.00 0.00 H new ATOM 0 HG23 VAL A 72 1.209 -1.976 -7.097 1.00 0.00 H new ATOM 1032 N HIS A 73 3.842 -0.037 -8.030 1.00 0.00 N ATOM 1033 CA HIS A 73 5.043 -0.477 -8.731 1.00 0.00 C ATOM 1034 C HIS A 73 5.194 -1.993 -8.652 1.00 0.00 C ATOM 1035 O HIS A 73 5.455 -2.546 -7.584 1.00 0.00 O ATOM 1036 CB HIS A 73 6.280 0.202 -8.142 1.00 0.00 C ATOM 1037 CG HIS A 73 6.619 1.504 -8.800 1.00 0.00 C ATOM 1038 ND1 HIS A 73 6.811 1.633 -10.159 1.00 0.00 N ATOM 1039 CD2 HIS A 73 6.800 2.740 -8.277 1.00 0.00 C ATOM 1040 CE1 HIS A 73 7.097 2.891 -10.444 1.00 0.00 C ATOM 1041 NE2 HIS A 73 7.095 3.583 -9.319 1.00 0.00 N ATOM 0 H HIS A 73 3.957 0.069 -7.022 1.00 0.00 H new ATOM 0 HA HIS A 73 4.946 -0.194 -9.779 1.00 0.00 H new ATOM 0 HB2 HIS A 73 6.118 0.373 -7.078 1.00 0.00 H new ATOM 0 HB3 HIS A 73 7.131 -0.473 -8.230 1.00 0.00 H new ATOM 0 HD2 HIS A 73 6.726 3.012 -7.234 1.00 0.00 H new ATOM 0 HE1 HIS A 73 7.298 3.286 -11.429 1.00 0.00 H new ATOM 0 HE2 HIS A 73 7.282 4.582 -9.238 1.00 0.00 H new ATOM 1049 N ASP A 74 5.028 -2.659 -9.789 1.00 0.00 N ATOM 1050 CA ASP A 74 5.146 -4.111 -9.849 1.00 0.00 C ATOM 1051 C ASP A 74 6.522 -4.524 -10.361 1.00 0.00 C ATOM 1052 O ASP A 74 6.962 -4.075 -11.419 1.00 0.00 O ATOM 1053 CB ASP A 74 4.057 -4.696 -10.750 1.00 0.00 C ATOM 1054 CG ASP A 74 2.670 -4.540 -10.157 1.00 0.00 C ATOM 1055 OD1 ASP A 74 2.065 -3.463 -10.339 1.00 0.00 O ATOM 1056 OD2 ASP A 74 2.189 -5.495 -9.511 1.00 0.00 O ATOM 0 H ASP A 74 4.811 -2.216 -10.682 1.00 0.00 H new ATOM 0 HA ASP A 74 5.021 -4.503 -8.839 1.00 0.00 H new ATOM 0 HB2 ASP A 74 4.091 -4.204 -11.722 1.00 0.00 H new ATOM 0 HB3 ASP A 74 4.259 -5.753 -10.920 1.00 0.00 H new ATOM 1061 N ASN A 75 7.198 -5.380 -9.602 1.00 0.00 N ATOM 1062 CA ASN A 75 8.526 -5.852 -9.978 1.00 0.00 C ATOM 1063 C ASN A 75 8.476 -7.306 -10.438 1.00 0.00 C ATOM 1064 O ASN A 75 9.233 -7.717 -11.318 1.00 0.00 O ATOM 1065 CB ASN A 75 9.492 -5.711 -8.801 1.00 0.00 C ATOM 1066 CG ASN A 75 9.314 -4.399 -8.061 1.00 0.00 C ATOM 1067 OD1 ASN A 75 9.703 -3.339 -8.551 1.00 0.00 O ATOM 1068 ND2 ASN A 75 8.723 -4.466 -6.873 1.00 0.00 N ATOM 0 H ASN A 75 6.848 -5.761 -8.723 1.00 0.00 H new ATOM 0 HA ASN A 75 8.881 -5.239 -10.806 1.00 0.00 H new ATOM 0 HB2 ASN A 75 9.340 -6.539 -8.109 1.00 0.00 H new ATOM 0 HB3 ASN A 75 10.517 -5.784 -9.165 1.00 0.00 H new ATOM 0 HD21 ASN A 75 8.576 -3.616 -6.328 1.00 0.00 H new ATOM 0 HD22 ASN A 75 8.417 -5.367 -6.506 1.00 0.00 H new ATOM 1075 N LYS A 76 7.579 -8.081 -9.837 1.00 0.00 N ATOM 1076 CA LYS A 76 7.428 -9.489 -10.185 1.00 0.00 C ATOM 1077 C LYS A 76 8.728 -10.250 -9.948 1.00 0.00 C ATOM 1078 O LYS A 76 9.087 -11.140 -10.720 1.00 0.00 O ATOM 1079 CB LYS A 76 7.000 -9.631 -11.647 1.00 0.00 C ATOM 1080 CG LYS A 76 5.682 -8.947 -11.965 1.00 0.00 C ATOM 1081 CD LYS A 76 5.885 -7.486 -12.328 1.00 0.00 C ATOM 1082 CE LYS A 76 4.779 -6.980 -13.242 1.00 0.00 C ATOM 1083 NZ LYS A 76 3.437 -7.101 -12.609 1.00 0.00 N ATOM 0 H LYS A 76 6.945 -7.757 -9.106 1.00 0.00 H new ATOM 0 HA LYS A 76 6.656 -9.915 -9.544 1.00 0.00 H new ATOM 0 HB2 LYS A 76 7.779 -9.215 -12.287 1.00 0.00 H new ATOM 0 HB3 LYS A 76 6.918 -10.690 -11.891 1.00 0.00 H new ATOM 0 HG2 LYS A 76 5.193 -9.463 -12.791 1.00 0.00 H new ATOM 0 HG3 LYS A 76 5.016 -9.020 -11.105 1.00 0.00 H new ATOM 0 HD2 LYS A 76 5.911 -6.884 -11.419 1.00 0.00 H new ATOM 0 HD3 LYS A 76 6.850 -7.363 -12.820 1.00 0.00 H new ATOM 0 HE2 LYS A 76 4.967 -5.937 -13.497 1.00 0.00 H new ATOM 0 HE3 LYS A 76 4.793 -7.544 -14.175 1.00 0.00 H new ATOM 0 HZ1 LYS A 76 2.873 -7.807 -13.124 1.00 0.00 H new ATOM 0 HZ2 LYS A 76 3.546 -7.400 -11.619 1.00 0.00 H new ATOM 0 HZ3 LYS A 76 2.954 -6.181 -12.641 1.00 0.00 H new ATOM 1097 N ASP A 77 9.429 -9.896 -8.877 1.00 0.00 N ATOM 1098 CA ASP A 77 10.689 -10.548 -8.537 1.00 0.00 C ATOM 1099 C ASP A 77 10.640 -11.122 -7.124 1.00 0.00 C ATOM 1100 O ASP A 77 11.492 -11.921 -6.738 1.00 0.00 O ATOM 1101 CB ASP A 77 11.849 -9.559 -8.660 1.00 0.00 C ATOM 1102 CG ASP A 77 13.199 -10.226 -8.479 1.00 0.00 C ATOM 1103 OD1 ASP A 77 13.615 -10.417 -7.317 1.00 0.00 O ATOM 1104 OD2 ASP A 77 13.838 -10.556 -9.499 1.00 0.00 O ATOM 0 H ASP A 77 9.146 -9.161 -8.229 1.00 0.00 H new ATOM 0 HA ASP A 77 10.846 -11.368 -9.237 1.00 0.00 H new ATOM 0 HB2 ASP A 77 11.812 -9.080 -9.638 1.00 0.00 H new ATOM 0 HB3 ASP A 77 11.733 -8.772 -7.915 1.00 0.00 H new ATOM 1109 N GLY A 78 9.637 -10.707 -6.357 1.00 0.00 N ATOM 1110 CA GLY A 78 9.497 -11.188 -4.995 1.00 0.00 C ATOM 1111 C GLY A 78 9.108 -10.088 -4.028 1.00 0.00 C ATOM 1112 O GLY A 78 8.859 -10.345 -2.849 1.00 0.00 O ATOM 0 H GLY A 78 8.919 -10.046 -6.654 1.00 0.00 H new ATOM 0 HA2 GLY A 78 8.744 -11.975 -4.967 1.00 0.00 H new ATOM 0 HA3 GLY A 78 10.437 -11.635 -4.673 1.00 0.00 H new ATOM 1116 N THR A 79 9.056 -8.856 -4.525 1.00 0.00 N ATOM 1117 CA THR A 79 8.698 -7.711 -3.697 1.00 0.00 C ATOM 1118 C THR A 79 7.755 -6.770 -4.437 1.00 0.00 C ATOM 1119 O THR A 79 7.443 -6.984 -5.609 1.00 0.00 O ATOM 1120 CB THR A 79 9.947 -6.925 -3.255 1.00 0.00 C ATOM 1121 OG1 THR A 79 10.497 -6.214 -4.369 1.00 0.00 O ATOM 1122 CG2 THR A 79 10.997 -7.860 -2.674 1.00 0.00 C ATOM 0 H THR A 79 9.258 -8.626 -5.498 1.00 0.00 H new ATOM 0 HA THR A 79 8.194 -8.105 -2.814 1.00 0.00 H new ATOM 0 HB THR A 79 9.649 -6.215 -2.483 1.00 0.00 H new ATOM 0 HG1 THR A 79 11.290 -5.715 -4.080 1.00 0.00 H new ATOM 0 HG21 THR A 79 11.870 -7.282 -2.369 1.00 0.00 H new ATOM 0 HG22 THR A 79 10.584 -8.378 -1.808 1.00 0.00 H new ATOM 0 HG23 THR A 79 11.291 -8.590 -3.428 1.00 0.00 H new ATOM 1130 N TYR A 80 7.303 -5.729 -3.747 1.00 0.00 N ATOM 1131 CA TYR A 80 6.394 -4.756 -4.339 1.00 0.00 C ATOM 1132 C TYR A 80 6.659 -3.357 -3.791 1.00 0.00 C ATOM 1133 O TYR A 80 7.004 -3.193 -2.621 1.00 0.00 O ATOM 1134 CB TYR A 80 4.941 -5.154 -4.070 1.00 0.00 C ATOM 1135 CG TYR A 80 4.631 -6.589 -4.429 1.00 0.00 C ATOM 1136 CD1 TYR A 80 5.068 -7.637 -3.628 1.00 0.00 C ATOM 1137 CD2 TYR A 80 3.899 -6.898 -5.570 1.00 0.00 C ATOM 1138 CE1 TYR A 80 4.786 -8.950 -3.954 1.00 0.00 C ATOM 1139 CE2 TYR A 80 3.612 -8.208 -5.902 1.00 0.00 C ATOM 1140 CZ TYR A 80 4.058 -9.230 -5.091 1.00 0.00 C ATOM 1141 OH TYR A 80 3.775 -10.537 -5.417 1.00 0.00 O ATOM 0 H TYR A 80 7.552 -5.538 -2.776 1.00 0.00 H new ATOM 0 HA TYR A 80 6.568 -4.744 -5.415 1.00 0.00 H new ATOM 0 HB2 TYR A 80 4.719 -4.996 -3.015 1.00 0.00 H new ATOM 0 HB3 TYR A 80 4.282 -4.496 -4.636 1.00 0.00 H new ATOM 0 HD1 TYR A 80 5.637 -7.422 -2.736 1.00 0.00 H new ATOM 0 HD2 TYR A 80 3.549 -6.100 -6.208 1.00 0.00 H new ATOM 0 HE1 TYR A 80 5.134 -9.753 -3.321 1.00 0.00 H new ATOM 0 HE2 TYR A 80 3.042 -8.430 -6.792 1.00 0.00 H new ATOM 0 HH TYR A 80 3.253 -10.562 -6.246 1.00 0.00 H new ATOM 1151 N ALA A 81 6.495 -2.353 -4.645 1.00 0.00 N ATOM 1152 CA ALA A 81 6.714 -0.968 -4.247 1.00 0.00 C ATOM 1153 C ALA A 81 5.462 -0.127 -4.474 1.00 0.00 C ATOM 1154 O ALA A 81 4.683 -0.390 -5.389 1.00 0.00 O ATOM 1155 CB ALA A 81 7.893 -0.380 -5.009 1.00 0.00 C ATOM 0 H ALA A 81 6.211 -2.473 -5.617 1.00 0.00 H new ATOM 0 HA ALA A 81 6.941 -0.954 -3.181 1.00 0.00 H new ATOM 0 HB1 ALA A 81 8.045 0.655 -4.702 1.00 0.00 H new ATOM 0 HB2 ALA A 81 8.791 -0.959 -4.793 1.00 0.00 H new ATOM 0 HB3 ALA A 81 7.688 -0.414 -6.079 1.00 0.00 H new ATOM 1161 N VAL A 82 5.275 0.886 -3.633 1.00 0.00 N ATOM 1162 CA VAL A 82 4.118 1.766 -3.742 1.00 0.00 C ATOM 1163 C VAL A 82 4.485 3.203 -3.391 1.00 0.00 C ATOM 1164 O VAL A 82 4.830 3.507 -2.249 1.00 0.00 O ATOM 1165 CB VAL A 82 2.971 1.302 -2.823 1.00 0.00 C ATOM 1166 CG1 VAL A 82 1.798 2.266 -2.906 1.00 0.00 C ATOM 1167 CG2 VAL A 82 2.538 -0.111 -3.185 1.00 0.00 C ATOM 0 H VAL A 82 5.910 1.117 -2.869 1.00 0.00 H new ATOM 0 HA VAL A 82 3.784 1.722 -4.779 1.00 0.00 H new ATOM 0 HB VAL A 82 3.332 1.295 -1.794 1.00 0.00 H new ATOM 0 HG11 VAL A 82 0.998 1.922 -2.251 1.00 0.00 H new ATOM 0 HG12 VAL A 82 2.121 3.259 -2.595 1.00 0.00 H new ATOM 0 HG13 VAL A 82 1.434 2.308 -3.932 1.00 0.00 H new ATOM 0 HG21 VAL A 82 1.727 -0.423 -2.526 1.00 0.00 H new ATOM 0 HG22 VAL A 82 2.194 -0.132 -4.219 1.00 0.00 H new ATOM 0 HG23 VAL A 82 3.382 -0.791 -3.069 1.00 0.00 H new ATOM 1177 N THR A 83 4.410 4.086 -4.382 1.00 0.00 N ATOM 1178 CA THR A 83 4.735 5.492 -4.180 1.00 0.00 C ATOM 1179 C THR A 83 3.501 6.289 -3.772 1.00 0.00 C ATOM 1180 O THR A 83 2.390 6.003 -4.219 1.00 0.00 O ATOM 1181 CB THR A 83 5.339 6.118 -5.451 1.00 0.00 C ATOM 1182 OG1 THR A 83 6.488 5.371 -5.866 1.00 0.00 O ATOM 1183 CG2 THR A 83 5.731 7.567 -5.207 1.00 0.00 C ATOM 0 H THR A 83 4.127 3.852 -5.333 1.00 0.00 H new ATOM 0 HA THR A 83 5.472 5.533 -3.378 1.00 0.00 H new ATOM 0 HB THR A 83 4.584 6.090 -6.237 1.00 0.00 H new ATOM 0 HG1 THR A 83 6.865 5.774 -6.676 1.00 0.00 H new ATOM 0 HG21 THR A 83 6.155 7.988 -6.119 1.00 0.00 H new ATOM 0 HG22 THR A 83 4.849 8.139 -4.920 1.00 0.00 H new ATOM 0 HG23 THR A 83 6.470 7.614 -4.408 1.00 0.00 H new ATOM 1191 N TYR A 84 3.702 7.289 -2.922 1.00 0.00 N ATOM 1192 CA TYR A 84 2.605 8.127 -2.453 1.00 0.00 C ATOM 1193 C TYR A 84 3.098 9.528 -2.105 1.00 0.00 C ATOM 1194 O TYR A 84 4.057 9.690 -1.350 1.00 0.00 O ATOM 1195 CB TYR A 84 1.937 7.492 -1.232 1.00 0.00 C ATOM 1196 CG TYR A 84 2.602 7.852 0.078 1.00 0.00 C ATOM 1197 CD1 TYR A 84 2.337 9.064 0.703 1.00 0.00 C ATOM 1198 CD2 TYR A 84 3.495 6.981 0.688 1.00 0.00 C ATOM 1199 CE1 TYR A 84 2.942 9.397 1.899 1.00 0.00 C ATOM 1200 CE2 TYR A 84 4.104 7.305 1.885 1.00 0.00 C ATOM 1201 CZ TYR A 84 3.825 8.515 2.487 1.00 0.00 C ATOM 1202 OH TYR A 84 4.430 8.842 3.678 1.00 0.00 O ATOM 0 H TYR A 84 4.615 7.539 -2.543 1.00 0.00 H new ATOM 0 HA TYR A 84 1.875 8.209 -3.258 1.00 0.00 H new ATOM 0 HB2 TYR A 84 0.893 7.803 -1.197 1.00 0.00 H new ATOM 0 HB3 TYR A 84 1.944 6.408 -1.347 1.00 0.00 H new ATOM 0 HD1 TYR A 84 1.646 9.757 0.246 1.00 0.00 H new ATOM 0 HD2 TYR A 84 3.717 6.034 0.219 1.00 0.00 H new ATOM 0 HE1 TYR A 84 2.725 10.343 2.372 1.00 0.00 H new ATOM 0 HE2 TYR A 84 4.795 6.615 2.347 1.00 0.00 H new ATOM 0 HH TYR A 84 3.768 8.814 4.400 1.00 0.00 H new ATOM 1212 N ILE A 85 2.436 10.536 -2.662 1.00 0.00 N ATOM 1213 CA ILE A 85 2.806 11.924 -2.410 1.00 0.00 C ATOM 1214 C ILE A 85 1.810 12.596 -1.471 1.00 0.00 C ATOM 1215 O ILE A 85 0.727 13.019 -1.874 1.00 0.00 O ATOM 1216 CB ILE A 85 2.885 12.731 -3.719 1.00 0.00 C ATOM 1217 CG1 ILE A 85 3.989 12.175 -4.621 1.00 0.00 C ATOM 1218 CG2 ILE A 85 3.129 14.203 -3.420 1.00 0.00 C ATOM 1219 CD1 ILE A 85 3.744 12.416 -6.094 1.00 0.00 C ATOM 0 H ILE A 85 1.641 10.418 -3.290 1.00 0.00 H new ATOM 0 HA ILE A 85 3.790 11.909 -1.942 1.00 0.00 H new ATOM 0 HB ILE A 85 1.933 12.639 -4.243 1.00 0.00 H new ATOM 0 HG12 ILE A 85 4.939 12.629 -4.340 1.00 0.00 H new ATOM 0 HG13 ILE A 85 4.084 11.103 -4.447 1.00 0.00 H new ATOM 0 HG21 ILE A 85 3.182 14.760 -4.355 1.00 0.00 H new ATOM 0 HG22 ILE A 85 2.312 14.591 -2.812 1.00 0.00 H new ATOM 0 HG23 ILE A 85 4.068 14.313 -2.878 1.00 0.00 H new ATOM 0 HD11 ILE A 85 4.566 11.995 -6.673 1.00 0.00 H new ATOM 0 HD12 ILE A 85 2.810 11.939 -6.390 1.00 0.00 H new ATOM 0 HD13 ILE A 85 3.679 13.488 -6.281 1.00 0.00 H new ATOM 1231 N PRO A 86 2.185 12.699 -0.187 1.00 0.00 N ATOM 1232 CA PRO A 86 1.340 13.321 0.837 1.00 0.00 C ATOM 1233 C PRO A 86 1.219 14.829 0.650 1.00 0.00 C ATOM 1234 O PRO A 86 2.094 15.589 1.065 1.00 0.00 O ATOM 1235 CB PRO A 86 2.072 13.001 2.143 1.00 0.00 C ATOM 1236 CG PRO A 86 3.495 12.814 1.743 1.00 0.00 C ATOM 1237 CD PRO A 86 3.463 12.216 0.364 1.00 0.00 C ATOM 0 HA PRO A 86 0.317 12.947 0.803 1.00 0.00 H new ATOM 0 HB2 PRO A 86 1.967 13.811 2.865 1.00 0.00 H new ATOM 0 HB3 PRO A 86 1.671 12.102 2.612 1.00 0.00 H new ATOM 0 HG2 PRO A 86 4.029 13.764 1.744 1.00 0.00 H new ATOM 0 HG3 PRO A 86 4.013 12.157 2.441 1.00 0.00 H new ATOM 0 HD2 PRO A 86 4.310 12.546 -0.237 1.00 0.00 H new ATOM 0 HD3 PRO A 86 3.501 11.127 0.397 1.00 0.00 H new ATOM 1245 N ASP A 87 0.129 15.257 0.022 1.00 0.00 N ATOM 1246 CA ASP A 87 -0.108 16.675 -0.219 1.00 0.00 C ATOM 1247 C ASP A 87 -0.911 17.294 0.922 1.00 0.00 C ATOM 1248 O ASP A 87 -1.600 18.297 0.738 1.00 0.00 O ATOM 1249 CB ASP A 87 -0.846 16.873 -1.544 1.00 0.00 C ATOM 1250 CG ASP A 87 -1.018 18.337 -1.898 1.00 0.00 C ATOM 1251 OD1 ASP A 87 -0.019 19.083 -1.835 1.00 0.00 O ATOM 1252 OD2 ASP A 87 -2.152 18.737 -2.237 1.00 0.00 O ATOM 0 H ASP A 87 -0.605 14.641 -0.329 1.00 0.00 H new ATOM 0 HA ASP A 87 0.859 17.175 -0.272 1.00 0.00 H new ATOM 0 HB2 ASP A 87 -0.297 16.372 -2.341 1.00 0.00 H new ATOM 0 HB3 ASP A 87 -1.826 16.399 -1.485 1.00 0.00 H new ATOM 1257 N LYS A 88 -0.816 16.688 2.101 1.00 0.00 N ATOM 1258 CA LYS A 88 -1.532 17.178 3.273 1.00 0.00 C ATOM 1259 C LYS A 88 -0.700 16.990 4.537 1.00 0.00 C ATOM 1260 O LYS A 88 0.234 16.187 4.565 1.00 0.00 O ATOM 1261 CB LYS A 88 -2.871 16.451 3.418 1.00 0.00 C ATOM 1262 CG LYS A 88 -4.014 17.128 2.681 1.00 0.00 C ATOM 1263 CD LYS A 88 -5.143 16.154 2.389 1.00 0.00 C ATOM 1264 CE LYS A 88 -5.953 16.588 1.177 1.00 0.00 C ATOM 1265 NZ LYS A 88 -6.930 17.659 1.518 1.00 0.00 N ATOM 0 H LYS A 88 -0.250 15.856 2.270 1.00 0.00 H new ATOM 0 HA LYS A 88 -1.716 18.244 3.136 1.00 0.00 H new ATOM 0 HB2 LYS A 88 -2.764 15.432 3.047 1.00 0.00 H new ATOM 0 HB3 LYS A 88 -3.124 16.380 4.476 1.00 0.00 H new ATOM 0 HG2 LYS A 88 -4.393 17.957 3.278 1.00 0.00 H new ATOM 0 HG3 LYS A 88 -3.646 17.551 1.746 1.00 0.00 H new ATOM 0 HD2 LYS A 88 -4.732 15.160 2.216 1.00 0.00 H new ATOM 0 HD3 LYS A 88 -5.797 16.082 3.258 1.00 0.00 H new ATOM 0 HE2 LYS A 88 -5.279 16.946 0.399 1.00 0.00 H new ATOM 0 HE3 LYS A 88 -6.484 15.728 0.768 1.00 0.00 H new ATOM 0 HZ1 LYS A 88 -7.462 17.927 0.666 1.00 0.00 H new ATOM 0 HZ2 LYS A 88 -7.589 17.310 2.242 1.00 0.00 H new ATOM 0 HZ3 LYS A 88 -6.421 18.489 1.884 1.00 0.00 H new ATOM 1279 N THR A 89 -1.044 17.735 5.583 1.00 0.00 N ATOM 1280 CA THR A 89 -0.329 17.651 6.850 1.00 0.00 C ATOM 1281 C THR A 89 -1.253 17.197 7.974 1.00 0.00 C ATOM 1282 O THR A 89 -2.338 17.746 8.158 1.00 0.00 O ATOM 1283 CB THR A 89 0.299 19.004 7.232 1.00 0.00 C ATOM 1284 OG1 THR A 89 -0.694 20.035 7.188 1.00 0.00 O ATOM 1285 CG2 THR A 89 1.443 19.355 6.292 1.00 0.00 C ATOM 0 H THR A 89 -1.814 18.404 5.577 1.00 0.00 H new ATOM 0 HA THR A 89 0.464 16.916 6.716 1.00 0.00 H new ATOM 0 HB THR A 89 0.694 18.923 8.245 1.00 0.00 H new ATOM 0 HG1 THR A 89 -1.553 19.675 7.492 1.00 0.00 H new ATOM 0 HG21 THR A 89 1.871 20.315 6.582 1.00 0.00 H new ATOM 0 HG22 THR A 89 2.211 18.583 6.349 1.00 0.00 H new ATOM 0 HG23 THR A 89 1.068 19.419 5.270 1.00 0.00 H new ATOM 1293 N GLY A 90 -0.815 16.190 8.724 1.00 0.00 N ATOM 1294 CA GLY A 90 -1.616 15.680 9.822 1.00 0.00 C ATOM 1295 C GLY A 90 -1.361 14.210 10.091 1.00 0.00 C ATOM 1296 O GLY A 90 -0.230 13.810 10.370 1.00 0.00 O ATOM 0 H GLY A 90 0.080 15.719 8.591 1.00 0.00 H new ATOM 0 HA2 GLY A 90 -1.400 16.254 10.723 1.00 0.00 H new ATOM 0 HA3 GLY A 90 -2.672 15.827 9.596 1.00 0.00 H new ATOM 1300 N ARG A 91 -2.414 13.404 10.009 1.00 0.00 N ATOM 1301 CA ARG A 91 -2.300 11.970 10.249 1.00 0.00 C ATOM 1302 C ARG A 91 -2.660 11.179 8.995 1.00 0.00 C ATOM 1303 O ARG A 91 -3.704 11.408 8.383 1.00 0.00 O ATOM 1304 CB ARG A 91 -3.206 11.552 11.408 1.00 0.00 C ATOM 1305 CG ARG A 91 -2.660 11.928 12.775 1.00 0.00 C ATOM 1306 CD ARG A 91 -3.680 11.671 13.873 1.00 0.00 C ATOM 1307 NE ARG A 91 -4.638 12.766 13.997 1.00 0.00 N ATOM 1308 CZ ARG A 91 -5.339 13.008 15.100 1.00 0.00 C ATOM 1309 NH1 ARG A 91 -5.189 12.236 16.167 1.00 0.00 N ATOM 1310 NH2 ARG A 91 -6.191 14.024 15.136 1.00 0.00 N ATOM 0 H ARG A 91 -3.356 13.719 9.778 1.00 0.00 H new ATOM 0 HA ARG A 91 -1.265 11.751 10.510 1.00 0.00 H new ATOM 0 HB2 ARG A 91 -4.185 12.014 11.278 1.00 0.00 H new ATOM 0 HB3 ARG A 91 -3.355 10.473 11.370 1.00 0.00 H new ATOM 0 HG2 ARG A 91 -1.755 11.355 12.977 1.00 0.00 H new ATOM 0 HG3 ARG A 91 -2.378 12.981 12.778 1.00 0.00 H new ATOM 0 HD2 ARG A 91 -4.214 10.744 13.662 1.00 0.00 H new ATOM 0 HD3 ARG A 91 -3.163 11.532 14.823 1.00 0.00 H new ATOM 0 HE ARG A 91 -4.777 13.379 13.193 1.00 0.00 H new ATOM 0 HH11 ARG A 91 -4.534 11.454 16.143 1.00 0.00 H new ATOM 0 HH12 ARG A 91 -5.728 12.424 17.012 1.00 0.00 H new ATOM 0 HH21 ARG A 91 -6.309 14.620 14.317 1.00 0.00 H new ATOM 0 HH22 ARG A 91 -6.729 14.209 15.983 1.00 0.00 H new ATOM 1324 N TYR A 92 -1.790 10.248 8.619 1.00 0.00 N ATOM 1325 CA TYR A 92 -2.016 9.425 7.437 1.00 0.00 C ATOM 1326 C TYR A 92 -2.259 7.969 7.825 1.00 0.00 C ATOM 1327 O TYR A 92 -1.371 7.300 8.352 1.00 0.00 O ATOM 1328 CB TYR A 92 -0.819 9.518 6.489 1.00 0.00 C ATOM 1329 CG TYR A 92 -0.909 10.668 5.511 1.00 0.00 C ATOM 1330 CD1 TYR A 92 -1.899 10.701 4.537 1.00 0.00 C ATOM 1331 CD2 TYR A 92 -0.004 11.721 5.562 1.00 0.00 C ATOM 1332 CE1 TYR A 92 -1.985 11.749 3.641 1.00 0.00 C ATOM 1333 CE2 TYR A 92 -0.083 12.774 4.671 1.00 0.00 C ATOM 1334 CZ TYR A 92 -1.075 12.784 3.712 1.00 0.00 C ATOM 1335 OH TYR A 92 -1.157 13.830 2.823 1.00 0.00 O ATOM 0 H TYR A 92 -0.922 10.045 9.115 1.00 0.00 H new ATOM 0 HA TYR A 92 -2.904 9.800 6.929 1.00 0.00 H new ATOM 0 HB2 TYR A 92 0.093 9.623 7.077 1.00 0.00 H new ATOM 0 HB3 TYR A 92 -0.734 8.585 5.933 1.00 0.00 H new ATOM 0 HD1 TYR A 92 -2.614 9.893 4.479 1.00 0.00 H new ATOM 0 HD2 TYR A 92 0.774 11.716 6.311 1.00 0.00 H new ATOM 0 HE1 TYR A 92 -2.760 11.758 2.889 1.00 0.00 H new ATOM 0 HE2 TYR A 92 0.628 13.585 4.725 1.00 0.00 H new ATOM 0 HH TYR A 92 -1.740 13.580 2.076 1.00 0.00 H new ATOM 1345 N MET A 93 -3.468 7.487 7.558 1.00 0.00 N ATOM 1346 CA MET A 93 -3.829 6.111 7.877 1.00 0.00 C ATOM 1347 C MET A 93 -3.753 5.227 6.636 1.00 0.00 C ATOM 1348 O MET A 93 -4.357 5.532 5.608 1.00 0.00 O ATOM 1349 CB MET A 93 -5.237 6.055 8.472 1.00 0.00 C ATOM 1350 CG MET A 93 -5.478 4.837 9.350 1.00 0.00 C ATOM 1351 SD MET A 93 -4.999 5.113 11.066 1.00 0.00 S ATOM 1352 CE MET A 93 -6.491 4.610 11.919 1.00 0.00 C ATOM 0 H MET A 93 -4.214 8.029 7.122 1.00 0.00 H new ATOM 0 HA MET A 93 -3.117 5.736 8.612 1.00 0.00 H new ATOM 0 HB2 MET A 93 -5.410 6.956 9.060 1.00 0.00 H new ATOM 0 HB3 MET A 93 -5.966 6.058 7.661 1.00 0.00 H new ATOM 0 HG2 MET A 93 -6.534 4.568 9.310 1.00 0.00 H new ATOM 0 HG3 MET A 93 -4.918 3.991 8.952 1.00 0.00 H new ATOM 0 HE1 MET A 93 -6.351 4.724 12.994 1.00 0.00 H new ATOM 0 HE2 MET A 93 -7.324 5.233 11.593 1.00 0.00 H new ATOM 0 HE3 MET A 93 -6.707 3.567 11.689 1.00 0.00 H new ATOM 1362 N ILE A 94 -3.006 4.132 6.739 1.00 0.00 N ATOM 1363 CA ILE A 94 -2.853 3.205 5.625 1.00 0.00 C ATOM 1364 C ILE A 94 -3.342 1.810 6.000 1.00 0.00 C ATOM 1365 O ILE A 94 -2.937 1.252 7.018 1.00 0.00 O ATOM 1366 CB ILE A 94 -1.386 3.117 5.165 1.00 0.00 C ATOM 1367 CG1 ILE A 94 -0.872 4.499 4.759 1.00 0.00 C ATOM 1368 CG2 ILE A 94 -1.252 2.136 4.010 1.00 0.00 C ATOM 1369 CD1 ILE A 94 0.630 4.559 4.588 1.00 0.00 C ATOM 0 H ILE A 94 -2.498 3.866 7.582 1.00 0.00 H new ATOM 0 HA ILE A 94 -3.460 3.591 4.806 1.00 0.00 H new ATOM 0 HB ILE A 94 -0.781 2.755 5.996 1.00 0.00 H new ATOM 0 HG12 ILE A 94 -1.348 4.795 3.824 1.00 0.00 H new ATOM 0 HG13 ILE A 94 -1.173 5.226 5.514 1.00 0.00 H new ATOM 0 HG21 ILE A 94 -0.210 2.084 3.696 1.00 0.00 H new ATOM 0 HG22 ILE A 94 -1.584 1.149 4.331 1.00 0.00 H new ATOM 0 HG23 ILE A 94 -1.867 2.471 3.175 1.00 0.00 H new ATOM 0 HD11 ILE A 94 0.923 5.568 4.300 1.00 0.00 H new ATOM 0 HD12 ILE A 94 1.114 4.295 5.528 1.00 0.00 H new ATOM 0 HD13 ILE A 94 0.936 3.857 3.812 1.00 0.00 H new ATOM 1381 N GLY A 95 -4.215 1.252 5.167 1.00 0.00 N ATOM 1382 CA GLY A 95 -4.743 -0.075 5.426 1.00 0.00 C ATOM 1383 C GLY A 95 -4.357 -1.073 4.353 1.00 0.00 C ATOM 1384 O GLY A 95 -5.039 -1.198 3.336 1.00 0.00 O ATOM 0 H GLY A 95 -4.566 1.695 4.318 1.00 0.00 H new ATOM 0 HA2 GLY A 95 -4.378 -0.425 6.392 1.00 0.00 H new ATOM 0 HA3 GLY A 95 -5.830 -0.023 5.495 1.00 0.00 H new ATOM 1388 N VAL A 96 -3.257 -1.786 4.579 1.00 0.00 N ATOM 1389 CA VAL A 96 -2.780 -2.778 3.623 1.00 0.00 C ATOM 1390 C VAL A 96 -3.527 -4.098 3.782 1.00 0.00 C ATOM 1391 O VAL A 96 -3.659 -4.621 4.889 1.00 0.00 O ATOM 1392 CB VAL A 96 -1.270 -3.034 3.786 1.00 0.00 C ATOM 1393 CG1 VAL A 96 -0.786 -4.046 2.759 1.00 0.00 C ATOM 1394 CG2 VAL A 96 -0.494 -1.730 3.669 1.00 0.00 C ATOM 0 H VAL A 96 -2.680 -1.695 5.415 1.00 0.00 H new ATOM 0 HA VAL A 96 -2.968 -2.374 2.628 1.00 0.00 H new ATOM 0 HB VAL A 96 -1.094 -3.448 4.779 1.00 0.00 H new ATOM 0 HG11 VAL A 96 0.283 -4.214 2.890 1.00 0.00 H new ATOM 0 HG12 VAL A 96 -1.320 -4.986 2.895 1.00 0.00 H new ATOM 0 HG13 VAL A 96 -0.973 -3.664 1.755 1.00 0.00 H new ATOM 0 HG21 VAL A 96 0.571 -1.929 3.787 1.00 0.00 H new ATOM 0 HG22 VAL A 96 -0.674 -1.286 2.690 1.00 0.00 H new ATOM 0 HG23 VAL A 96 -0.822 -1.040 4.446 1.00 0.00 H new ATOM 1404 N THR A 97 -4.016 -4.633 2.667 1.00 0.00 N ATOM 1405 CA THR A 97 -4.751 -5.891 2.682 1.00 0.00 C ATOM 1406 C THR A 97 -4.154 -6.888 1.695 1.00 0.00 C ATOM 1407 O THR A 97 -3.669 -6.507 0.629 1.00 0.00 O ATOM 1408 CB THR A 97 -6.238 -5.677 2.341 1.00 0.00 C ATOM 1409 OG1 THR A 97 -6.360 -4.871 1.164 1.00 0.00 O ATOM 1410 CG2 THR A 97 -6.967 -5.010 3.497 1.00 0.00 C ATOM 0 H THR A 97 -3.916 -4.214 1.742 1.00 0.00 H new ATOM 0 HA THR A 97 -4.671 -6.292 3.693 1.00 0.00 H new ATOM 0 HB THR A 97 -6.691 -6.652 2.161 1.00 0.00 H new ATOM 0 HG1 THR A 97 -7.308 -4.741 0.953 1.00 0.00 H new ATOM 0 HG21 THR A 97 -8.015 -4.869 3.233 1.00 0.00 H new ATOM 0 HG22 THR A 97 -6.897 -5.641 4.383 1.00 0.00 H new ATOM 0 HG23 THR A 97 -6.512 -4.042 3.704 1.00 0.00 H new ATOM 1418 N TYR A 98 -4.192 -8.166 2.056 1.00 0.00 N ATOM 1419 CA TYR A 98 -3.653 -9.218 1.203 1.00 0.00 C ATOM 1420 C TYR A 98 -4.656 -10.356 1.041 1.00 0.00 C ATOM 1421 O TYR A 98 -5.036 -11.006 2.013 1.00 0.00 O ATOM 1422 CB TYR A 98 -2.344 -9.755 1.785 1.00 0.00 C ATOM 1423 CG TYR A 98 -1.373 -10.250 0.737 1.00 0.00 C ATOM 1424 CD1 TYR A 98 -0.551 -9.365 0.050 1.00 0.00 C ATOM 1425 CD2 TYR A 98 -1.277 -11.603 0.434 1.00 0.00 C ATOM 1426 CE1 TYR A 98 0.337 -9.813 -0.908 1.00 0.00 C ATOM 1427 CE2 TYR A 98 -0.391 -12.060 -0.522 1.00 0.00 C ATOM 1428 CZ TYR A 98 0.414 -11.161 -1.191 1.00 0.00 C ATOM 1429 OH TYR A 98 1.298 -11.611 -2.144 1.00 0.00 O ATOM 0 H TYR A 98 -4.591 -8.498 2.934 1.00 0.00 H new ATOM 0 HA TYR A 98 -3.457 -8.789 0.220 1.00 0.00 H new ATOM 0 HB2 TYR A 98 -1.866 -8.968 2.368 1.00 0.00 H new ATOM 0 HB3 TYR A 98 -2.569 -10.570 2.473 1.00 0.00 H new ATOM 0 HD1 TYR A 98 -0.608 -8.309 0.269 1.00 0.00 H new ATOM 0 HD2 TYR A 98 -1.906 -12.309 0.955 1.00 0.00 H new ATOM 0 HE1 TYR A 98 0.968 -9.111 -1.433 1.00 0.00 H new ATOM 0 HE2 TYR A 98 -0.329 -13.115 -0.745 1.00 0.00 H new ATOM 0 HH TYR A 98 1.406 -12.581 -2.058 1.00 0.00 H new ATOM 1439 N GLY A 99 -5.080 -10.591 -0.198 1.00 0.00 N ATOM 1440 CA GLY A 99 -6.034 -11.650 -0.466 1.00 0.00 C ATOM 1441 C GLY A 99 -7.326 -11.478 0.309 1.00 0.00 C ATOM 1442 O GLY A 99 -7.803 -12.413 0.949 1.00 0.00 O ATOM 0 H GLY A 99 -4.779 -10.067 -1.020 1.00 0.00 H new ATOM 0 HA2 GLY A 99 -6.255 -11.674 -1.533 1.00 0.00 H new ATOM 0 HA3 GLY A 99 -5.586 -12.611 -0.211 1.00 0.00 H new ATOM 1446 N GLY A 100 -7.892 -10.276 0.252 1.00 0.00 N ATOM 1447 CA GLY A 100 -9.130 -10.005 0.960 1.00 0.00 C ATOM 1448 C GLY A 100 -8.995 -10.197 2.458 1.00 0.00 C ATOM 1449 O GLY A 100 -9.921 -10.671 3.116 1.00 0.00 O ATOM 0 H GLY A 100 -7.516 -9.486 -0.271 1.00 0.00 H new ATOM 0 HA2 GLY A 100 -9.446 -8.982 0.755 1.00 0.00 H new ATOM 0 HA3 GLY A 100 -9.913 -10.662 0.582 1.00 0.00 H new ATOM 1453 N ASP A 101 -7.838 -9.828 2.998 1.00 0.00 N ATOM 1454 CA ASP A 101 -7.585 -9.963 4.427 1.00 0.00 C ATOM 1455 C ASP A 101 -6.544 -8.949 4.892 1.00 0.00 C ATOM 1456 O ASP A 101 -5.400 -8.965 4.437 1.00 0.00 O ATOM 1457 CB ASP A 101 -7.114 -11.381 4.753 1.00 0.00 C ATOM 1458 CG ASP A 101 -8.265 -12.314 5.074 1.00 0.00 C ATOM 1459 OD1 ASP A 101 -9.194 -11.885 5.790 1.00 0.00 O ATOM 1460 OD2 ASP A 101 -8.236 -13.472 4.610 1.00 0.00 O ATOM 0 H ASP A 101 -7.061 -9.433 2.467 1.00 0.00 H new ATOM 0 HA ASP A 101 -8.518 -9.769 4.956 1.00 0.00 H new ATOM 0 HB2 ASP A 101 -6.553 -11.778 3.907 1.00 0.00 H new ATOM 0 HB3 ASP A 101 -6.430 -11.348 5.601 1.00 0.00 H new ATOM 1465 N ASP A 102 -6.949 -8.068 5.801 1.00 0.00 N ATOM 1466 CA ASP A 102 -6.051 -7.046 6.327 1.00 0.00 C ATOM 1467 C ASP A 102 -4.963 -7.673 7.193 1.00 0.00 C ATOM 1468 O ASP A 102 -5.226 -8.592 7.969 1.00 0.00 O ATOM 1469 CB ASP A 102 -6.838 -6.017 7.141 1.00 0.00 C ATOM 1470 CG ASP A 102 -7.606 -6.648 8.285 1.00 0.00 C ATOM 1471 OD1 ASP A 102 -7.016 -6.821 9.372 1.00 0.00 O ATOM 1472 OD2 ASP A 102 -8.798 -6.970 8.094 1.00 0.00 O ATOM 0 H ASP A 102 -7.892 -8.041 6.188 1.00 0.00 H new ATOM 0 HA ASP A 102 -5.576 -6.545 5.484 1.00 0.00 H new ATOM 0 HB2 ASP A 102 -6.151 -5.269 7.537 1.00 0.00 H new ATOM 0 HB3 ASP A 102 -7.534 -5.494 6.485 1.00 0.00 H new ATOM 1477 N ILE A 103 -3.741 -7.170 7.054 1.00 0.00 N ATOM 1478 CA ILE A 103 -2.613 -7.681 7.823 1.00 0.00 C ATOM 1479 C ILE A 103 -2.717 -7.272 9.288 1.00 0.00 C ATOM 1480 O ILE A 103 -3.297 -6.242 9.632 1.00 0.00 O ATOM 1481 CB ILE A 103 -1.272 -7.180 7.255 1.00 0.00 C ATOM 1482 CG1 ILE A 103 -1.300 -5.659 7.088 1.00 0.00 C ATOM 1483 CG2 ILE A 103 -0.971 -7.859 5.928 1.00 0.00 C ATOM 1484 CD1 ILE A 103 0.039 -5.068 6.705 1.00 0.00 C ATOM 0 H ILE A 103 -3.507 -6.409 6.416 1.00 0.00 H new ATOM 0 HA ILE A 103 -2.646 -8.768 7.749 1.00 0.00 H new ATOM 0 HB ILE A 103 -0.479 -7.435 7.958 1.00 0.00 H new ATOM 0 HG12 ILE A 103 -2.034 -5.399 6.326 1.00 0.00 H new ATOM 0 HG13 ILE A 103 -1.635 -5.205 8.021 1.00 0.00 H new ATOM 0 HG21 ILE A 103 -0.020 -7.494 5.540 1.00 0.00 H new ATOM 0 HG22 ILE A 103 -0.913 -8.937 6.076 1.00 0.00 H new ATOM 0 HG23 ILE A 103 -1.764 -7.633 5.215 1.00 0.00 H new ATOM 0 HD11 ILE A 103 -0.056 -3.987 6.604 1.00 0.00 H new ATOM 0 HD12 ILE A 103 0.772 -5.297 7.478 1.00 0.00 H new ATOM 0 HD13 ILE A 103 0.367 -5.494 5.757 1.00 0.00 H new ATOM 1496 N PRO A 104 -2.139 -8.096 10.175 1.00 0.00 N ATOM 1497 CA PRO A 104 -2.151 -7.840 11.618 1.00 0.00 C ATOM 1498 C PRO A 104 -1.275 -6.653 12.003 1.00 0.00 C ATOM 1499 O PRO A 104 -1.122 -6.339 13.185 1.00 0.00 O ATOM 1500 CB PRO A 104 -1.590 -9.134 12.213 1.00 0.00 C ATOM 1501 CG PRO A 104 -0.755 -9.720 11.126 1.00 0.00 C ATOM 1502 CD PRO A 104 -1.430 -9.342 9.836 1.00 0.00 C ATOM 0 HA PRO A 104 -3.148 -7.586 11.979 1.00 0.00 H new ATOM 0 HB2 PRO A 104 -0.996 -8.935 13.105 1.00 0.00 H new ATOM 0 HB3 PRO A 104 -2.390 -9.813 12.508 1.00 0.00 H new ATOM 0 HG2 PRO A 104 0.263 -9.331 11.163 1.00 0.00 H new ATOM 0 HG3 PRO A 104 -0.686 -10.803 11.228 1.00 0.00 H new ATOM 0 HD2 PRO A 104 -0.708 -9.188 9.034 1.00 0.00 H new ATOM 0 HD3 PRO A 104 -2.118 -10.118 9.500 1.00 0.00 H new ATOM 1510 N LEU A 105 -0.702 -5.997 11.001 1.00 0.00 N ATOM 1511 CA LEU A 105 0.160 -4.843 11.235 1.00 0.00 C ATOM 1512 C LEU A 105 -0.603 -3.540 11.015 1.00 0.00 C ATOM 1513 O LEU A 105 -0.268 -2.508 11.595 1.00 0.00 O ATOM 1514 CB LEU A 105 1.378 -4.896 10.311 1.00 0.00 C ATOM 1515 CG LEU A 105 2.202 -6.183 10.360 1.00 0.00 C ATOM 1516 CD1 LEU A 105 3.193 -6.226 9.207 1.00 0.00 C ATOM 1517 CD2 LEU A 105 2.926 -6.302 11.693 1.00 0.00 C ATOM 0 H LEU A 105 -0.818 -6.244 10.018 1.00 0.00 H new ATOM 0 HA LEU A 105 0.496 -4.875 12.271 1.00 0.00 H new ATOM 0 HB2 LEU A 105 1.039 -4.744 9.286 1.00 0.00 H new ATOM 0 HB3 LEU A 105 2.032 -4.060 10.557 1.00 0.00 H new ATOM 0 HG LEU A 105 1.524 -7.030 10.261 1.00 0.00 H new ATOM 0 HD11 LEU A 105 3.771 -7.149 9.258 1.00 0.00 H new ATOM 0 HD12 LEU A 105 2.653 -6.188 8.261 1.00 0.00 H new ATOM 0 HD13 LEU A 105 3.867 -5.372 9.274 1.00 0.00 H new ATOM 0 HD21 LEU A 105 3.507 -7.224 11.710 1.00 0.00 H new ATOM 0 HD22 LEU A 105 3.593 -5.450 11.822 1.00 0.00 H new ATOM 0 HD23 LEU A 105 2.197 -6.318 12.503 1.00 0.00 H new ATOM 1529 N SER A 106 -1.632 -3.598 10.176 1.00 0.00 N ATOM 1530 CA SER A 106 -2.443 -2.423 9.878 1.00 0.00 C ATOM 1531 C SER A 106 -3.543 -2.243 10.920 1.00 0.00 C ATOM 1532 O SER A 106 -3.895 -3.167 11.653 1.00 0.00 O ATOM 1533 CB SER A 106 -3.060 -2.542 8.484 1.00 0.00 C ATOM 1534 OG SER A 106 -2.233 -1.935 7.506 1.00 0.00 O ATOM 0 H SER A 106 -1.924 -4.446 9.690 1.00 0.00 H new ATOM 0 HA SER A 106 -1.793 -1.548 9.906 1.00 0.00 H new ATOM 0 HB2 SER A 106 -3.209 -3.593 8.237 1.00 0.00 H new ATOM 0 HB3 SER A 106 -4.043 -2.071 8.477 1.00 0.00 H new ATOM 0 HG SER A 106 -2.497 -0.998 7.390 1.00 0.00 H new ATOM 1540 N PRO A 107 -4.099 -1.025 10.988 1.00 0.00 N ATOM 1541 CA PRO A 107 -3.687 0.083 10.121 1.00 0.00 C ATOM 1542 C PRO A 107 -2.290 0.594 10.458 1.00 0.00 C ATOM 1543 O PRO A 107 -1.631 0.079 11.362 1.00 0.00 O ATOM 1544 CB PRO A 107 -4.734 1.163 10.404 1.00 0.00 C ATOM 1545 CG PRO A 107 -5.228 0.862 11.777 1.00 0.00 C ATOM 1546 CD PRO A 107 -5.172 -0.634 11.918 1.00 0.00 C ATOM 0 HA PRO A 107 -3.635 -0.216 9.074 1.00 0.00 H new ATOM 0 HB2 PRO A 107 -4.298 2.161 10.350 1.00 0.00 H new ATOM 0 HB3 PRO A 107 -5.544 1.129 9.676 1.00 0.00 H new ATOM 0 HG2 PRO A 107 -4.608 1.349 12.530 1.00 0.00 H new ATOM 0 HG3 PRO A 107 -6.245 1.229 11.915 1.00 0.00 H new ATOM 0 HD2 PRO A 107 -4.945 -0.933 12.941 1.00 0.00 H new ATOM 0 HD3 PRO A 107 -6.122 -1.098 11.653 1.00 0.00 H new ATOM 1554 N TYR A 108 -1.845 1.610 9.726 1.00 0.00 N ATOM 1555 CA TYR A 108 -0.525 2.189 9.947 1.00 0.00 C ATOM 1556 C TYR A 108 -0.631 3.675 10.278 1.00 0.00 C ATOM 1557 O TYR A 108 -1.303 4.432 9.578 1.00 0.00 O ATOM 1558 CB TYR A 108 0.354 1.993 8.710 1.00 0.00 C ATOM 1559 CG TYR A 108 1.154 0.710 8.734 1.00 0.00 C ATOM 1560 CD1 TYR A 108 0.535 -0.521 8.555 1.00 0.00 C ATOM 1561 CD2 TYR A 108 2.529 0.729 8.934 1.00 0.00 C ATOM 1562 CE1 TYR A 108 1.262 -1.696 8.576 1.00 0.00 C ATOM 1563 CE2 TYR A 108 3.264 -0.441 8.955 1.00 0.00 C ATOM 1564 CZ TYR A 108 2.626 -1.651 8.777 1.00 0.00 C ATOM 1565 OH TYR A 108 3.353 -2.818 8.797 1.00 0.00 O ATOM 0 H TYR A 108 -2.378 2.049 8.976 1.00 0.00 H new ATOM 0 HA TYR A 108 -0.069 1.677 10.794 1.00 0.00 H new ATOM 0 HB2 TYR A 108 -0.277 2.002 7.821 1.00 0.00 H new ATOM 0 HB3 TYR A 108 1.039 2.837 8.623 1.00 0.00 H new ATOM 0 HD1 TYR A 108 -0.533 -0.560 8.397 1.00 0.00 H new ATOM 0 HD2 TYR A 108 3.032 1.674 9.075 1.00 0.00 H new ATOM 0 HE1 TYR A 108 0.765 -2.645 8.436 1.00 0.00 H new ATOM 0 HE2 TYR A 108 4.332 -0.408 9.110 1.00 0.00 H new ATOM 0 HH TYR A 108 4.299 -2.612 8.948 1.00 0.00 H new ATOM 1575 N ARG A 109 0.038 4.084 11.351 1.00 0.00 N ATOM 1576 CA ARG A 109 0.020 5.478 11.778 1.00 0.00 C ATOM 1577 C ARG A 109 1.253 6.218 11.267 1.00 0.00 C ATOM 1578 O ARG A 109 2.385 5.828 11.550 1.00 0.00 O ATOM 1579 CB ARG A 109 -0.045 5.566 13.303 1.00 0.00 C ATOM 1580 CG ARG A 109 -1.283 4.917 13.899 1.00 0.00 C ATOM 1581 CD ARG A 109 -1.188 4.819 15.413 1.00 0.00 C ATOM 1582 NE ARG A 109 -0.109 3.931 15.838 1.00 0.00 N ATOM 1583 CZ ARG A 109 0.476 4.002 17.028 1.00 0.00 C ATOM 1584 NH1 ARG A 109 0.088 4.915 17.908 1.00 0.00 N ATOM 1585 NH2 ARG A 109 1.451 3.158 17.341 1.00 0.00 N ATOM 0 H ARG A 109 0.599 3.470 11.941 1.00 0.00 H new ATOM 0 HA ARG A 109 -0.867 5.950 11.356 1.00 0.00 H new ATOM 0 HB2 ARG A 109 0.842 5.092 13.724 1.00 0.00 H new ATOM 0 HB3 ARG A 109 -0.017 6.615 13.599 1.00 0.00 H new ATOM 0 HG2 ARG A 109 -2.165 5.496 13.626 1.00 0.00 H new ATOM 0 HG3 ARG A 109 -1.412 3.921 13.476 1.00 0.00 H new ATOM 0 HD2 ARG A 109 -1.026 5.812 15.831 1.00 0.00 H new ATOM 0 HD3 ARG A 109 -2.135 4.456 15.813 1.00 0.00 H new ATOM 0 HE ARG A 109 0.213 3.217 15.185 1.00 0.00 H new ATOM 0 HH11 ARG A 109 -0.662 5.565 17.672 1.00 0.00 H new ATOM 0 HH12 ARG A 109 0.539 4.967 18.821 1.00 0.00 H new ATOM 0 HH21 ARG A 109 1.752 2.454 16.667 1.00 0.00 H new ATOM 0 HH22 ARG A 109 1.900 3.214 18.255 1.00 0.00 H new ATOM 1599 N ILE A 110 1.023 7.288 10.512 1.00 0.00 N ATOM 1600 CA ILE A 110 2.114 8.083 9.962 1.00 0.00 C ATOM 1601 C ILE A 110 1.764 9.567 9.957 1.00 0.00 C ATOM 1602 O ILE A 110 0.595 9.940 10.048 1.00 0.00 O ATOM 1603 CB ILE A 110 2.463 7.644 8.528 1.00 0.00 C ATOM 1604 CG1 ILE A 110 2.581 6.120 8.452 1.00 0.00 C ATOM 1605 CG2 ILE A 110 3.756 8.304 8.072 1.00 0.00 C ATOM 1606 CD1 ILE A 110 2.854 5.604 7.056 1.00 0.00 C ATOM 0 H ILE A 110 0.091 7.624 10.268 1.00 0.00 H new ATOM 0 HA ILE A 110 2.979 7.919 10.604 1.00 0.00 H new ATOM 0 HB ILE A 110 1.661 7.961 7.861 1.00 0.00 H new ATOM 0 HG12 ILE A 110 3.382 5.792 9.115 1.00 0.00 H new ATOM 0 HG13 ILE A 110 1.658 5.673 8.822 1.00 0.00 H new ATOM 0 HG21 ILE A 110 3.989 7.984 7.057 1.00 0.00 H new ATOM 0 HG22 ILE A 110 3.639 9.387 8.093 1.00 0.00 H new ATOM 0 HG23 ILE A 110 4.568 8.014 8.739 1.00 0.00 H new ATOM 0 HD11 ILE A 110 2.925 4.517 7.078 1.00 0.00 H new ATOM 0 HD12 ILE A 110 2.042 5.901 6.393 1.00 0.00 H new ATOM 0 HD13 ILE A 110 3.792 6.022 6.691 1.00 0.00 H new ATOM 1618 N ARG A 111 2.786 10.410 9.847 1.00 0.00 N ATOM 1619 CA ARG A 111 2.587 11.854 9.829 1.00 0.00 C ATOM 1620 C ARG A 111 3.640 12.537 8.962 1.00 0.00 C ATOM 1621 O ARG A 111 4.788 12.097 8.901 1.00 0.00 O ATOM 1622 CB ARG A 111 2.639 12.415 11.251 1.00 0.00 C ATOM 1623 CG ARG A 111 3.857 11.963 12.040 1.00 0.00 C ATOM 1624 CD ARG A 111 5.015 12.937 11.883 1.00 0.00 C ATOM 1625 NE ARG A 111 4.689 14.263 12.402 1.00 0.00 N ATOM 1626 CZ ARG A 111 4.730 14.578 13.692 1.00 0.00 C ATOM 1627 NH1 ARG A 111 5.081 13.668 14.589 1.00 0.00 N ATOM 1628 NH2 ARG A 111 4.420 15.806 14.086 1.00 0.00 N ATOM 0 H ARG A 111 3.760 10.118 9.769 1.00 0.00 H new ATOM 0 HA ARG A 111 1.604 12.055 9.402 1.00 0.00 H new ATOM 0 HB2 ARG A 111 2.631 13.504 11.203 1.00 0.00 H new ATOM 0 HB3 ARG A 111 1.738 12.113 11.785 1.00 0.00 H new ATOM 0 HG2 ARG A 111 3.596 11.873 13.094 1.00 0.00 H new ATOM 0 HG3 ARG A 111 4.164 10.973 11.702 1.00 0.00 H new ATOM 0 HD2 ARG A 111 5.889 12.548 12.405 1.00 0.00 H new ATOM 0 HD3 ARG A 111 5.282 13.016 10.829 1.00 0.00 H new ATOM 0 HE ARG A 111 4.415 14.987 11.738 1.00 0.00 H new ATOM 0 HH11 ARG A 111 5.321 12.723 14.290 1.00 0.00 H new ATOM 0 HH12 ARG A 111 5.112 13.913 15.579 1.00 0.00 H new ATOM 0 HH21 ARG A 111 4.150 16.509 13.398 1.00 0.00 H new ATOM 0 HH22 ARG A 111 4.452 16.047 15.077 1.00 0.00 H new ATOM 1642 N ALA A 112 3.242 13.614 8.294 1.00 0.00 N ATOM 1643 CA ALA A 112 4.151 14.359 7.432 1.00 0.00 C ATOM 1644 C ALA A 112 4.841 15.480 8.201 1.00 0.00 C ATOM 1645 O ALA A 112 4.218 16.168 9.011 1.00 0.00 O ATOM 1646 CB ALA A 112 3.401 14.922 6.234 1.00 0.00 C ATOM 0 H ALA A 112 2.295 13.991 8.333 1.00 0.00 H new ATOM 0 HA ALA A 112 4.919 13.672 7.075 1.00 0.00 H new ATOM 0 HB1 ALA A 112 4.093 15.476 5.599 1.00 0.00 H new ATOM 0 HB2 ALA A 112 2.960 14.104 5.664 1.00 0.00 H new ATOM 0 HB3 ALA A 112 2.612 15.590 6.580 1.00 0.00 H new ATOM 1652 N THR A 113 6.133 15.660 7.944 1.00 0.00 N ATOM 1653 CA THR A 113 6.909 16.697 8.614 1.00 0.00 C ATOM 1654 C THR A 113 7.218 17.850 7.666 1.00 0.00 C ATOM 1655 O THR A 113 8.198 17.809 6.923 1.00 0.00 O ATOM 1656 CB THR A 113 8.231 16.137 9.171 1.00 0.00 C ATOM 1657 OG1 THR A 113 9.060 15.677 8.098 1.00 0.00 O ATOM 1658 CG2 THR A 113 7.969 14.996 10.142 1.00 0.00 C ATOM 0 H THR A 113 6.664 15.101 7.276 1.00 0.00 H new ATOM 0 HA THR A 113 6.301 17.063 9.441 1.00 0.00 H new ATOM 0 HB THR A 113 8.742 16.938 9.706 1.00 0.00 H new ATOM 0 HG1 THR A 113 9.167 16.393 7.437 1.00 0.00 H new ATOM 0 HG21 THR A 113 8.918 14.617 10.522 1.00 0.00 H new ATOM 0 HG22 THR A 113 7.363 15.357 10.973 1.00 0.00 H new ATOM 0 HG23 THR A 113 7.438 14.195 9.628 1.00 0.00 H new