USER MOD reduce.3.24.130724 H: found=0, std=0, add=655, rem=0, adj=24 USER MOD reduce.3.24.130724 removed 656 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 69 TYR OH : rot 77:sc= -1.72! USER MOD Set 1.2: A 100 GLN : amide:sc= 0.16! C(o=-1.6!,f=-4.8!) USER MOD Set 2.1: A 70 GLN : amide:sc= 0.365 K(o=1,f=-9.8!) USER MOD Set 2.2: A 89 SER OG : rot 180:sc= 0 USER MOD Set 2.3: A 91 LYS NZ :NH3+ -143:sc= 0.658 (180deg=-0.0498) USER MOD Set 3.1: A 72 GLN : amide:sc= -0.348 X(o=-0.35,f=-0.32) USER MOD Set 3.2: A 87 THR OG1 : rot 180:sc= 0 USER MOD Single : A 19 GLN : amide:sc= -0.0469 X(o=-0.047,f=-0.047) USER MOD Single : A 21 SER OG : rot 108:sc= 0.853 USER MOD Single : A 26 THR OG1 : rot 77:sc= 1.21 USER MOD Single : A 27 SER OG : rot 180:sc= 0 USER MOD Single : A 34 THR OG1 : rot 180:sc= 0 USER MOD Single : A 38 THR OG1 : rot 180:sc= 0 USER MOD Single : A 40 THR OG1 : rot 180:sc= -0.198 USER MOD Single : A 44 CYS SG : rot 180:sc= 0 USER MOD Single : A 45 LYS NZ :NH3+ 177:sc= 1.28 (180deg=1.24) USER MOD Single : A 46 GLN : amide:sc= -0.12 K(o=-0.12,f=-0.85) USER MOD Single : A 47 THR OG1 : rot -140:sc= -0.0568 USER MOD Single : A 48 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Single : A 49 LYS NZ :NH3+ -159:sc= -0.111 (180deg=-0.511) USER MOD Single : A 50 THR OG1 : rot -99:sc= 0.725 USER MOD Single : A 51 GLN : amide:sc= 1.03 K(o=1,f=-5.2!) USER MOD Single : A 54 LYS NZ :NH3+ -166:sc= -0.0168 (180deg=-0.217) USER MOD Single : A 68 LYS NZ :NH3+ 161:sc= 0.19 (180deg=-0.357) USER MOD Single : A 80 ASN : amide:sc=-0.000665 X(o=-0.00067,f=0) USER MOD Single : A 81 THR OG1 : rot 180:sc= -1.37 USER MOD Single : A 84 LYS NZ :NH3+ -151:sc= 1.26 (180deg=0.0902) USER MOD Single : A 85 THR OG1 : rot 180:sc= 0 USER MOD Single : A 95 HIS : no HD1:sc= 0 X(o=0,f=0) USER MOD Single : A 96 ASN : amide:sc= -0.424 X(o=-0.42,f=-0.099) USER MOD Single : A 101 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 102 THR OG1 : rot 44:sc= 1.21 USER MOD Single : A 104 THR OG1 : rot 180:sc= -0.456 USER MOD Single : A 106 SER OG : rot 180:sc= -1.12 USER MOD Single : A 107 LYS NZ :NH3+ 172:sc=-0.00814 (180deg=-0.0893) USER MOD ----------------------------------------------------------------- ATOM 257 N GLY A 16 -39.508 15.481 9.267 1.00 0.00 N ATOM 258 CA GLY A 16 -38.159 15.642 9.730 1.00 0.00 C ATOM 259 C GLY A 16 -37.300 16.224 8.643 1.00 0.00 C ATOM 260 O GLY A 16 -37.764 16.388 7.508 1.00 0.00 O ATOM 0 HA2 GLY A 16 -38.143 16.293 10.604 1.00 0.00 H new ATOM 0 HA3 GLY A 16 -37.757 14.678 10.043 1.00 0.00 H new ATOM 264 N GLU A 17 -36.068 16.535 8.964 1.00 0.00 N ATOM 265 CA GLU A 17 -35.161 17.091 8.009 1.00 0.00 C ATOM 266 C GLU A 17 -34.094 16.110 7.640 1.00 0.00 C ATOM 267 O GLU A 17 -33.925 15.074 8.279 1.00 0.00 O ATOM 268 CB GLU A 17 -34.486 18.322 8.548 1.00 0.00 C ATOM 269 CG GLU A 17 -35.420 19.469 8.870 1.00 0.00 C ATOM 270 CD GLU A 17 -34.675 20.695 9.331 1.00 0.00 C ATOM 271 OE1 GLU A 17 -34.014 20.633 10.383 1.00 0.00 O ATOM 272 OE2 GLU A 17 -34.744 21.729 8.641 1.00 0.00 O ATOM 0 H GLU A 17 -35.673 16.407 9.896 1.00 0.00 H new ATOM 0 HA GLU A 17 -35.755 17.346 7.131 1.00 0.00 H new ATOM 0 HB2 GLU A 17 -33.939 18.053 9.451 1.00 0.00 H new ATOM 0 HB3 GLU A 17 -33.751 18.664 7.820 1.00 0.00 H new ATOM 0 HG2 GLU A 17 -36.010 19.715 7.987 1.00 0.00 H new ATOM 0 HG3 GLU A 17 -36.121 19.159 9.645 1.00 0.00 H new ATOM 279 N TRP A 18 -33.409 16.432 6.584 1.00 0.00 N ATOM 280 CA TRP A 18 -32.286 15.693 6.134 1.00 0.00 C ATOM 281 C TRP A 18 -31.138 15.755 7.140 1.00 0.00 C ATOM 282 O TRP A 18 -30.747 16.835 7.589 1.00 0.00 O ATOM 283 CB TRP A 18 -31.841 16.276 4.819 1.00 0.00 C ATOM 284 CG TRP A 18 -32.847 16.099 3.747 1.00 0.00 C ATOM 285 CD1 TRP A 18 -33.720 17.027 3.288 1.00 0.00 C ATOM 286 CD2 TRP A 18 -33.100 14.910 3.017 1.00 0.00 C ATOM 287 NE1 TRP A 18 -34.503 16.487 2.305 1.00 0.00 N ATOM 288 CE2 TRP A 18 -34.137 15.180 2.116 1.00 0.00 C ATOM 289 CE3 TRP A 18 -32.540 13.645 3.041 1.00 0.00 C ATOM 290 CZ2 TRP A 18 -34.631 14.218 1.238 1.00 0.00 C ATOM 291 CZ3 TRP A 18 -33.021 12.683 2.176 1.00 0.00 C ATOM 292 CH2 TRP A 18 -34.057 12.972 1.283 1.00 0.00 C ATOM 0 H TRP A 18 -33.629 17.240 6.001 1.00 0.00 H new ATOM 0 HA TRP A 18 -32.567 14.646 6.021 1.00 0.00 H new ATOM 0 HB2 TRP A 18 -31.636 17.339 4.948 1.00 0.00 H new ATOM 0 HB3 TRP A 18 -30.906 15.806 4.515 1.00 0.00 H new ATOM 0 HD1 TRP A 18 -33.788 18.044 3.646 1.00 0.00 H new ATOM 0 HE1 TRP A 18 -35.239 16.977 1.796 1.00 0.00 H new ATOM 0 HE3 TRP A 18 -31.738 13.414 3.727 1.00 0.00 H new ATOM 0 HZ2 TRP A 18 -35.433 14.443 0.550 1.00 0.00 H new ATOM 0 HZ3 TRP A 18 -32.591 11.693 2.189 1.00 0.00 H new ATOM 0 HH2 TRP A 18 -34.412 12.200 0.616 1.00 0.00 H new ATOM 303 N GLN A 19 -30.620 14.600 7.490 1.00 0.00 N ATOM 304 CA GLN A 19 -29.480 14.495 8.366 1.00 0.00 C ATOM 305 C GLN A 19 -28.235 14.569 7.517 1.00 0.00 C ATOM 306 O GLN A 19 -28.177 13.964 6.447 1.00 0.00 O ATOM 307 CB GLN A 19 -29.509 13.180 9.143 1.00 0.00 C ATOM 308 CG GLN A 19 -30.778 12.966 9.948 1.00 0.00 C ATOM 309 CD GLN A 19 -31.009 14.041 10.994 1.00 0.00 C ATOM 310 OE1 GLN A 19 -31.657 15.055 10.733 1.00 0.00 O ATOM 311 NE2 GLN A 19 -30.481 13.831 12.178 1.00 0.00 N ATOM 0 H GLN A 19 -30.982 13.701 7.171 1.00 0.00 H new ATOM 0 HA GLN A 19 -29.497 15.307 9.093 1.00 0.00 H new ATOM 0 HB2 GLN A 19 -29.392 12.353 8.442 1.00 0.00 H new ATOM 0 HB3 GLN A 19 -28.654 13.150 9.818 1.00 0.00 H new ATOM 0 HG2 GLN A 19 -31.631 12.938 9.270 1.00 0.00 H new ATOM 0 HG3 GLN A 19 -30.730 11.994 10.439 1.00 0.00 H new ATOM 0 HE21 GLN A 19 -29.951 12.978 12.356 1.00 0.00 H new ATOM 0 HE22 GLN A 19 -30.601 14.521 12.920 1.00 0.00 H new ATOM 320 N TRP A 20 -27.250 15.292 7.972 1.00 0.00 N ATOM 321 CA TRP A 20 -26.069 15.509 7.165 1.00 0.00 C ATOM 322 C TRP A 20 -24.859 14.791 7.714 1.00 0.00 C ATOM 323 O TRP A 20 -24.472 14.979 8.867 1.00 0.00 O ATOM 324 CB TRP A 20 -25.792 17.002 6.997 1.00 0.00 C ATOM 325 CG TRP A 20 -26.886 17.714 6.268 1.00 0.00 C ATOM 326 CD1 TRP A 20 -27.608 18.773 6.717 1.00 0.00 C ATOM 327 CD2 TRP A 20 -27.395 17.400 4.963 1.00 0.00 C ATOM 328 NE1 TRP A 20 -28.529 19.149 5.771 1.00 0.00 N ATOM 329 CE2 TRP A 20 -28.420 18.320 4.686 1.00 0.00 C ATOM 330 CE3 TRP A 20 -27.079 16.431 4.002 1.00 0.00 C ATOM 331 CZ2 TRP A 20 -29.135 18.303 3.491 1.00 0.00 C ATOM 332 CZ3 TRP A 20 -27.789 16.413 2.817 1.00 0.00 C ATOM 333 CH2 TRP A 20 -28.807 17.344 2.571 1.00 0.00 C ATOM 0 H TRP A 20 -27.235 15.740 8.888 1.00 0.00 H new ATOM 0 HA TRP A 20 -26.270 15.083 6.182 1.00 0.00 H new ATOM 0 HB2 TRP A 20 -25.661 17.456 7.979 1.00 0.00 H new ATOM 0 HB3 TRP A 20 -24.855 17.135 6.457 1.00 0.00 H new ATOM 0 HD1 TRP A 20 -27.477 19.249 7.677 1.00 0.00 H new ATOM 0 HE1 TRP A 20 -29.189 19.922 5.862 1.00 0.00 H new ATOM 0 HE3 TRP A 20 -26.295 15.711 4.184 1.00 0.00 H new ATOM 0 HZ2 TRP A 20 -29.919 19.020 3.297 1.00 0.00 H new ATOM 0 HZ3 TRP A 20 -27.556 15.670 2.069 1.00 0.00 H new ATOM 0 HH2 TRP A 20 -29.345 17.304 1.635 1.00 0.00 H new ATOM 344 N SER A 21 -24.265 13.968 6.873 1.00 0.00 N ATOM 345 CA SER A 21 -23.083 13.220 7.224 1.00 0.00 C ATOM 346 C SER A 21 -21.883 13.823 6.503 1.00 0.00 C ATOM 347 O SER A 21 -22.055 14.649 5.595 1.00 0.00 O ATOM 348 CB SER A 21 -23.259 11.757 6.816 1.00 0.00 C ATOM 349 OG SER A 21 -24.517 11.252 7.253 1.00 0.00 O ATOM 0 H SER A 21 -24.594 13.801 5.922 1.00 0.00 H new ATOM 0 HA SER A 21 -22.921 13.267 8.301 1.00 0.00 H new ATOM 0 HB2 SER A 21 -23.184 11.667 5.732 1.00 0.00 H new ATOM 0 HB3 SER A 21 -22.455 11.158 7.243 1.00 0.00 H new ATOM 0 HG SER A 21 -25.113 11.146 6.482 1.00 0.00 H new ATOM 355 N VAL A 22 -20.684 13.420 6.879 1.00 0.00 N ATOM 356 CA VAL A 22 -19.493 13.946 6.242 1.00 0.00 C ATOM 357 C VAL A 22 -19.013 13.006 5.148 1.00 0.00 C ATOM 358 O VAL A 22 -19.274 11.796 5.189 1.00 0.00 O ATOM 359 CB VAL A 22 -18.347 14.199 7.255 1.00 0.00 C ATOM 360 CG1 VAL A 22 -18.751 15.258 8.267 1.00 0.00 C ATOM 361 CG2 VAL A 22 -17.940 12.912 7.958 1.00 0.00 C ATOM 0 H VAL A 22 -20.510 12.736 7.616 1.00 0.00 H new ATOM 0 HA VAL A 22 -19.767 14.906 5.804 1.00 0.00 H new ATOM 0 HB VAL A 22 -17.483 14.564 6.699 1.00 0.00 H new ATOM 0 HG11 VAL A 22 -17.933 15.421 8.969 1.00 0.00 H new ATOM 0 HG12 VAL A 22 -18.975 16.190 7.748 1.00 0.00 H new ATOM 0 HG13 VAL A 22 -19.635 14.924 8.811 1.00 0.00 H new ATOM 0 HG21 VAL A 22 -17.135 13.121 8.662 1.00 0.00 H new ATOM 0 HG22 VAL A 22 -18.796 12.505 8.496 1.00 0.00 H new ATOM 0 HG23 VAL A 22 -17.597 12.187 7.220 1.00 0.00 H new ATOM 371 N CYS A 23 -18.340 13.567 4.169 1.00 0.00 N ATOM 372 CA CYS A 23 -17.848 12.815 3.033 1.00 0.00 C ATOM 373 C CYS A 23 -16.764 11.832 3.435 1.00 0.00 C ATOM 374 O CYS A 23 -15.803 12.194 4.117 1.00 0.00 O ATOM 375 CB CYS A 23 -17.296 13.765 1.978 1.00 0.00 C ATOM 376 SG CYS A 23 -18.512 14.945 1.316 1.00 0.00 S ATOM 0 H CYS A 23 -18.117 14.562 4.137 1.00 0.00 H new ATOM 0 HA CYS A 23 -18.688 12.251 2.627 1.00 0.00 H new ATOM 0 HB2 CYS A 23 -16.464 14.323 2.409 1.00 0.00 H new ATOM 0 HB3 CYS A 23 -16.892 13.177 1.153 1.00 0.00 H new ATOM 381 N VAL A 24 -16.923 10.597 3.015 1.00 0.00 N ATOM 382 CA VAL A 24 -15.930 9.580 3.263 1.00 0.00 C ATOM 383 C VAL A 24 -15.225 9.214 1.955 1.00 0.00 C ATOM 384 O VAL A 24 -15.841 8.666 1.040 1.00 0.00 O ATOM 385 CB VAL A 24 -16.537 8.313 3.934 1.00 0.00 C ATOM 386 CG1 VAL A 24 -16.972 8.628 5.351 1.00 0.00 C ATOM 387 CG2 VAL A 24 -17.716 7.767 3.134 1.00 0.00 C ATOM 0 H VAL A 24 -17.739 10.272 2.496 1.00 0.00 H new ATOM 0 HA VAL A 24 -15.203 9.990 3.964 1.00 0.00 H new ATOM 0 HB VAL A 24 -15.763 7.546 3.957 1.00 0.00 H new ATOM 0 HG11 VAL A 24 -17.395 7.734 5.809 1.00 0.00 H new ATOM 0 HG12 VAL A 24 -16.111 8.960 5.931 1.00 0.00 H new ATOM 0 HG13 VAL A 24 -17.724 9.417 5.334 1.00 0.00 H new ATOM 0 HG21 VAL A 24 -18.115 6.883 3.631 1.00 0.00 H new ATOM 0 HG22 VAL A 24 -18.494 8.528 3.067 1.00 0.00 H new ATOM 0 HG23 VAL A 24 -17.383 7.500 2.131 1.00 0.00 H new ATOM 397 N PRO A 25 -13.938 9.569 1.824 1.00 0.00 N ATOM 398 CA PRO A 25 -13.160 9.266 0.624 1.00 0.00 C ATOM 399 C PRO A 25 -12.893 7.775 0.489 1.00 0.00 C ATOM 400 O PRO A 25 -12.916 7.038 1.477 1.00 0.00 O ATOM 401 CB PRO A 25 -11.837 10.024 0.837 1.00 0.00 C ATOM 402 CG PRO A 25 -12.086 10.948 1.985 1.00 0.00 C ATOM 403 CD PRO A 25 -13.146 10.298 2.819 1.00 0.00 C ATOM 0 HA PRO A 25 -13.685 9.559 -0.285 1.00 0.00 H new ATOM 0 HB2 PRO A 25 -11.021 9.335 1.057 1.00 0.00 H new ATOM 0 HB3 PRO A 25 -11.554 10.578 -0.058 1.00 0.00 H new ATOM 0 HG2 PRO A 25 -11.176 11.104 2.564 1.00 0.00 H new ATOM 0 HG3 PRO A 25 -12.412 11.927 1.634 1.00 0.00 H new ATOM 0 HD2 PRO A 25 -12.719 9.629 3.566 1.00 0.00 H new ATOM 0 HD3 PRO A 25 -13.747 11.033 3.355 1.00 0.00 H new ATOM 411 N THR A 26 -12.638 7.336 -0.725 1.00 0.00 N ATOM 412 CA THR A 26 -12.363 5.950 -0.982 1.00 0.00 C ATOM 413 C THR A 26 -10.858 5.703 -0.896 1.00 0.00 C ATOM 414 O THR A 26 -10.409 4.602 -0.580 1.00 0.00 O ATOM 415 CB THR A 26 -12.913 5.522 -2.377 1.00 0.00 C ATOM 416 OG1 THR A 26 -14.349 5.584 -2.364 1.00 0.00 O ATOM 417 CG2 THR A 26 -12.478 4.114 -2.747 1.00 0.00 C ATOM 0 H THR A 26 -12.617 7.931 -1.553 1.00 0.00 H new ATOM 0 HA THR A 26 -12.867 5.345 -0.228 1.00 0.00 H new ATOM 0 HB THR A 26 -12.507 6.208 -3.121 1.00 0.00 H new ATOM 0 HG1 THR A 26 -14.637 6.518 -2.430 1.00 0.00 H new ATOM 0 HG21 THR A 26 -12.882 3.854 -3.725 1.00 0.00 H new ATOM 0 HG22 THR A 26 -11.390 4.066 -2.779 1.00 0.00 H new ATOM 0 HG23 THR A 26 -12.850 3.411 -2.002 1.00 0.00 H new ATOM 425 N SER A 27 -10.085 6.751 -1.145 1.00 0.00 N ATOM 426 CA SER A 27 -8.648 6.654 -1.101 1.00 0.00 C ATOM 427 C SER A 27 -8.020 8.036 -0.945 1.00 0.00 C ATOM 428 O SER A 27 -8.455 9.003 -1.579 1.00 0.00 O ATOM 429 CB SER A 27 -8.134 5.983 -2.374 1.00 0.00 C ATOM 430 OG SER A 27 -6.742 5.716 -2.294 1.00 0.00 O ATOM 0 H SER A 27 -10.439 7.678 -1.380 1.00 0.00 H new ATOM 0 HA SER A 27 -8.366 6.050 -0.239 1.00 0.00 H new ATOM 0 HB2 SER A 27 -8.675 5.052 -2.540 1.00 0.00 H new ATOM 0 HB3 SER A 27 -8.334 6.625 -3.232 1.00 0.00 H new ATOM 0 HG SER A 27 -6.443 5.285 -3.122 1.00 0.00 H new ATOM 436 N GLY A 28 -7.020 8.122 -0.077 1.00 0.00 N ATOM 437 CA GLY A 28 -6.298 9.357 0.126 1.00 0.00 C ATOM 438 C GLY A 28 -5.455 9.692 -1.074 1.00 0.00 C ATOM 439 O GLY A 28 -5.178 10.866 -1.349 1.00 0.00 O ATOM 0 H GLY A 28 -6.695 7.344 0.497 1.00 0.00 H new ATOM 0 HA2 GLY A 28 -7.002 10.167 0.318 1.00 0.00 H new ATOM 0 HA3 GLY A 28 -5.663 9.271 1.008 1.00 0.00 H new ATOM 443 N ASP A 29 -5.059 8.659 -1.807 1.00 0.00 N ATOM 444 CA ASP A 29 -4.280 8.824 -3.026 1.00 0.00 C ATOM 445 C ASP A 29 -5.203 9.180 -4.176 1.00 0.00 C ATOM 446 O ASP A 29 -5.198 8.527 -5.222 1.00 0.00 O ATOM 447 CB ASP A 29 -3.488 7.549 -3.352 1.00 0.00 C ATOM 448 CG ASP A 29 -2.400 7.264 -2.343 1.00 0.00 C ATOM 449 OD1 ASP A 29 -1.372 7.973 -2.357 1.00 0.00 O ATOM 450 OD2 ASP A 29 -2.567 6.328 -1.522 1.00 0.00 O ATOM 0 H ASP A 29 -5.268 7.688 -1.574 1.00 0.00 H new ATOM 0 HA ASP A 29 -3.564 9.632 -2.874 1.00 0.00 H new ATOM 0 HB2 ASP A 29 -4.172 6.701 -3.391 1.00 0.00 H new ATOM 0 HB3 ASP A 29 -3.043 7.646 -4.342 1.00 0.00 H new ATOM 455 N CYS A 30 -5.980 10.234 -3.962 1.00 0.00 N ATOM 456 CA CYS A 30 -6.959 10.724 -4.929 1.00 0.00 C ATOM 457 C CYS A 30 -7.993 9.650 -5.257 1.00 0.00 C ATOM 458 O CYS A 30 -7.826 8.874 -6.203 1.00 0.00 O ATOM 459 CB CYS A 30 -6.265 11.208 -6.208 1.00 0.00 C ATOM 460 SG CYS A 30 -4.999 12.496 -5.931 1.00 0.00 S ATOM 0 H CYS A 30 -5.949 10.781 -3.102 1.00 0.00 H new ATOM 0 HA CYS A 30 -7.479 11.569 -4.477 1.00 0.00 H new ATOM 0 HB2 CYS A 30 -5.798 10.355 -6.700 1.00 0.00 H new ATOM 0 HB3 CYS A 30 -7.019 11.597 -6.892 1.00 0.00 H new ATOM 465 N GLY A 31 -9.055 9.605 -4.477 1.00 0.00 N ATOM 466 CA GLY A 31 -10.074 8.612 -4.680 1.00 0.00 C ATOM 467 C GLY A 31 -11.440 9.157 -4.386 1.00 0.00 C ATOM 468 O GLY A 31 -11.610 9.920 -3.436 1.00 0.00 O ATOM 0 H GLY A 31 -9.228 10.245 -3.702 1.00 0.00 H new ATOM 0 HA2 GLY A 31 -10.037 8.257 -5.710 1.00 0.00 H new ATOM 0 HA3 GLY A 31 -9.879 7.752 -4.039 1.00 0.00 H new ATOM 472 N LEU A 32 -12.413 8.754 -5.184 1.00 0.00 N ATOM 473 CA LEU A 32 -13.786 9.233 -5.051 1.00 0.00 C ATOM 474 C LEU A 32 -14.336 8.960 -3.660 1.00 0.00 C ATOM 475 O LEU A 32 -13.915 8.045 -3.003 1.00 0.00 O ATOM 476 CB LEU A 32 -14.685 8.604 -6.124 1.00 0.00 C ATOM 477 CG LEU A 32 -16.119 9.147 -6.204 1.00 0.00 C ATOM 478 CD1 LEU A 32 -16.119 10.615 -6.606 1.00 0.00 C ATOM 479 CD2 LEU A 32 -16.946 8.325 -7.177 1.00 0.00 C ATOM 0 H LEU A 32 -12.278 8.086 -5.943 1.00 0.00 H new ATOM 0 HA LEU A 32 -13.777 10.313 -5.198 1.00 0.00 H new ATOM 0 HB2 LEU A 32 -14.210 8.744 -7.095 1.00 0.00 H new ATOM 0 HB3 LEU A 32 -14.734 7.530 -5.945 1.00 0.00 H new ATOM 0 HG LEU A 32 -16.571 9.066 -5.215 1.00 0.00 H new ATOM 0 HD11 LEU A 32 -17.145 10.978 -6.656 1.00 0.00 H new ATOM 0 HD12 LEU A 32 -15.565 11.194 -5.868 1.00 0.00 H new ATOM 0 HD13 LEU A 32 -15.647 10.725 -7.582 1.00 0.00 H new ATOM 0 HD21 LEU A 32 -17.959 8.724 -7.221 1.00 0.00 H new ATOM 0 HD22 LEU A 32 -16.494 8.372 -8.168 1.00 0.00 H new ATOM 0 HD23 LEU A 32 -16.979 7.288 -6.841 1.00 0.00 H new ATOM 491 N GLY A 33 -15.261 9.770 -3.212 1.00 0.00 N ATOM 492 CA GLY A 33 -15.821 9.578 -1.902 1.00 0.00 C ATOM 493 C GLY A 33 -17.319 9.710 -1.943 1.00 0.00 C ATOM 494 O GLY A 33 -17.873 10.115 -2.966 1.00 0.00 O ATOM 0 H GLY A 33 -15.639 10.562 -3.731 1.00 0.00 H new ATOM 0 HA2 GLY A 33 -15.547 8.593 -1.524 1.00 0.00 H new ATOM 0 HA3 GLY A 33 -15.404 10.311 -1.211 1.00 0.00 H new ATOM 498 N THR A 34 -17.984 9.397 -0.855 1.00 0.00 N ATOM 499 CA THR A 34 -19.431 9.474 -0.826 1.00 0.00 C ATOM 500 C THR A 34 -19.944 10.130 0.451 1.00 0.00 C ATOM 501 O THR A 34 -19.263 10.150 1.478 1.00 0.00 O ATOM 502 CB THR A 34 -20.068 8.072 -0.969 1.00 0.00 C ATOM 503 OG1 THR A 34 -19.399 7.146 -0.105 1.00 0.00 O ATOM 504 CG2 THR A 34 -19.996 7.577 -2.408 1.00 0.00 C ATOM 0 H THR A 34 -17.553 9.089 0.017 1.00 0.00 H new ATOM 0 HA THR A 34 -19.723 10.093 -1.674 1.00 0.00 H new ATOM 0 HB THR A 34 -21.118 8.146 -0.687 1.00 0.00 H new ATOM 0 HG1 THR A 34 -19.807 6.260 -0.197 1.00 0.00 H new ATOM 0 HG21 THR A 34 -20.452 6.589 -2.476 1.00 0.00 H new ATOM 0 HG22 THR A 34 -20.531 8.269 -3.058 1.00 0.00 H new ATOM 0 HG23 THR A 34 -18.953 7.518 -2.721 1.00 0.00 H new ATOM 512 N ARG A 35 -21.126 10.714 0.354 1.00 0.00 N ATOM 513 CA ARG A 35 -21.806 11.310 1.486 1.00 0.00 C ATOM 514 C ARG A 35 -23.275 10.919 1.414 1.00 0.00 C ATOM 515 O ARG A 35 -23.841 10.846 0.321 1.00 0.00 O ATOM 516 CB ARG A 35 -21.652 12.846 1.489 1.00 0.00 C ATOM 517 CG ARG A 35 -22.352 13.556 0.334 1.00 0.00 C ATOM 518 CD ARG A 35 -22.218 15.071 0.445 1.00 0.00 C ATOM 519 NE ARG A 35 -23.065 15.770 -0.527 1.00 0.00 N ATOM 520 CZ ARG A 35 -23.422 17.058 -0.431 1.00 0.00 C ATOM 521 NH1 ARG A 35 -22.964 17.809 0.563 1.00 0.00 N ATOM 522 NH2 ARG A 35 -24.232 17.589 -1.338 1.00 0.00 N ATOM 0 H ARG A 35 -21.644 10.787 -0.522 1.00 0.00 H new ATOM 0 HA ARG A 35 -21.362 10.944 2.412 1.00 0.00 H new ATOM 0 HB2 ARG A 35 -22.044 13.236 2.429 1.00 0.00 H new ATOM 0 HB3 ARG A 35 -20.590 13.092 1.460 1.00 0.00 H new ATOM 0 HG2 ARG A 35 -21.927 13.221 -0.612 1.00 0.00 H new ATOM 0 HG3 ARG A 35 -23.407 13.283 0.324 1.00 0.00 H new ATOM 0 HD2 ARG A 35 -22.487 15.386 1.453 1.00 0.00 H new ATOM 0 HD3 ARG A 35 -21.177 15.355 0.290 1.00 0.00 H new ATOM 0 HE ARG A 35 -23.405 15.240 -1.330 1.00 0.00 H new ATOM 0 HH11 ARG A 35 -22.337 17.406 1.259 1.00 0.00 H new ATOM 0 HH12 ARG A 35 -23.239 18.789 0.631 1.00 0.00 H new ATOM 0 HH21 ARG A 35 -24.582 17.017 -2.107 1.00 0.00 H new ATOM 0 HH22 ARG A 35 -24.505 18.569 -1.267 1.00 0.00 H new ATOM 536 N GLU A 36 -23.891 10.655 2.544 1.00 0.00 N ATOM 537 CA GLU A 36 -25.273 10.215 2.560 1.00 0.00 C ATOM 538 C GLU A 36 -26.105 11.022 3.537 1.00 0.00 C ATOM 539 O GLU A 36 -25.705 11.227 4.691 1.00 0.00 O ATOM 540 CB GLU A 36 -25.355 8.730 2.900 1.00 0.00 C ATOM 541 CG GLU A 36 -26.755 8.157 2.793 1.00 0.00 C ATOM 542 CD GLU A 36 -26.793 6.686 3.094 1.00 0.00 C ATOM 543 OE1 GLU A 36 -26.926 6.322 4.279 1.00 0.00 O ATOM 544 OE2 GLU A 36 -26.693 5.879 2.148 1.00 0.00 O ATOM 0 H GLU A 36 -23.460 10.736 3.465 1.00 0.00 H new ATOM 0 HA GLU A 36 -25.681 10.375 1.562 1.00 0.00 H new ATOM 0 HB2 GLU A 36 -24.693 8.177 2.234 1.00 0.00 H new ATOM 0 HB3 GLU A 36 -24.986 8.578 3.914 1.00 0.00 H new ATOM 0 HG2 GLU A 36 -27.415 8.684 3.483 1.00 0.00 H new ATOM 0 HG3 GLU A 36 -27.140 8.330 1.788 1.00 0.00 H new ATOM 551 N GLY A 37 -27.243 11.500 3.073 1.00 0.00 N ATOM 552 CA GLY A 37 -28.140 12.233 3.920 1.00 0.00 C ATOM 553 C GLY A 37 -29.473 11.524 3.965 1.00 0.00 C ATOM 554 O GLY A 37 -29.887 10.923 2.966 1.00 0.00 O ATOM 0 H GLY A 37 -27.562 11.389 2.110 1.00 0.00 H new ATOM 0 HA2 GLY A 37 -27.725 12.316 4.924 1.00 0.00 H new ATOM 0 HA3 GLY A 37 -28.267 13.248 3.543 1.00 0.00 H new ATOM 558 N THR A 38 -30.153 11.566 5.089 1.00 0.00 N ATOM 559 CA THR A 38 -31.417 10.868 5.224 1.00 0.00 C ATOM 560 C THR A 38 -32.456 11.745 5.891 1.00 0.00 C ATOM 561 O THR A 38 -32.123 12.651 6.631 1.00 0.00 O ATOM 562 CB THR A 38 -31.257 9.566 6.049 1.00 0.00 C ATOM 563 OG1 THR A 38 -30.722 9.870 7.345 1.00 0.00 O ATOM 564 CG2 THR A 38 -30.335 8.578 5.344 1.00 0.00 C ATOM 0 H THR A 38 -29.855 12.074 5.922 1.00 0.00 H new ATOM 0 HA THR A 38 -31.748 10.616 4.216 1.00 0.00 H new ATOM 0 HB THR A 38 -32.242 9.111 6.152 1.00 0.00 H new ATOM 0 HG1 THR A 38 -30.625 9.043 7.861 1.00 0.00 H new ATOM 0 HG21 THR A 38 -30.242 7.674 5.946 1.00 0.00 H new ATOM 0 HG22 THR A 38 -30.752 8.323 4.369 1.00 0.00 H new ATOM 0 HG23 THR A 38 -29.352 9.029 5.212 1.00 0.00 H new ATOM 572 N ARG A 39 -33.708 11.470 5.626 1.00 0.00 N ATOM 573 CA ARG A 39 -34.795 12.196 6.237 1.00 0.00 C ATOM 574 C ARG A 39 -35.605 11.206 7.048 1.00 0.00 C ATOM 575 O ARG A 39 -35.586 10.010 6.753 1.00 0.00 O ATOM 576 CB ARG A 39 -35.660 12.867 5.162 1.00 0.00 C ATOM 577 CG ARG A 39 -36.740 13.786 5.710 1.00 0.00 C ATOM 578 CD ARG A 39 -37.559 14.409 4.592 1.00 0.00 C ATOM 579 NE ARG A 39 -38.593 15.306 5.107 1.00 0.00 N ATOM 580 CZ ARG A 39 -39.761 15.545 4.499 1.00 0.00 C ATOM 581 NH1 ARG A 39 -40.040 14.975 3.332 1.00 0.00 N ATOM 582 NH2 ARG A 39 -40.645 16.359 5.055 1.00 0.00 N ATOM 0 H ARG A 39 -34.004 10.737 4.981 1.00 0.00 H new ATOM 0 HA ARG A 39 -34.416 12.987 6.884 1.00 0.00 H new ATOM 0 HB2 ARG A 39 -35.013 13.441 4.499 1.00 0.00 H new ATOM 0 HB3 ARG A 39 -36.131 12.093 4.556 1.00 0.00 H new ATOM 0 HG2 ARG A 39 -37.396 13.223 6.373 1.00 0.00 H new ATOM 0 HG3 ARG A 39 -36.281 14.573 6.308 1.00 0.00 H new ATOM 0 HD2 ARG A 39 -36.899 14.962 3.923 1.00 0.00 H new ATOM 0 HD3 ARG A 39 -38.024 13.621 4.000 1.00 0.00 H new ATOM 0 HE ARG A 39 -38.411 15.782 5.991 1.00 0.00 H new ATOM 0 HH11 ARG A 39 -39.362 14.351 2.894 1.00 0.00 H new ATOM 0 HH12 ARG A 39 -40.932 15.161 2.874 1.00 0.00 H new ATOM 0 HH21 ARG A 39 -40.436 16.805 5.948 1.00 0.00 H new ATOM 0 HH22 ARG A 39 -41.535 16.540 4.590 1.00 0.00 H new ATOM 596 N THR A 40 -36.298 11.667 8.064 1.00 0.00 N ATOM 597 CA THR A 40 -37.016 10.757 8.931 1.00 0.00 C ATOM 598 C THR A 40 -38.232 11.436 9.515 1.00 0.00 C ATOM 599 O THR A 40 -38.328 12.656 9.499 1.00 0.00 O ATOM 600 CB THR A 40 -36.101 10.250 10.075 1.00 0.00 C ATOM 601 OG1 THR A 40 -34.771 10.036 9.569 1.00 0.00 O ATOM 602 CG2 THR A 40 -36.618 8.936 10.642 1.00 0.00 C ATOM 0 H THR A 40 -36.381 12.654 8.310 1.00 0.00 H new ATOM 0 HA THR A 40 -37.335 9.903 8.333 1.00 0.00 H new ATOM 0 HB THR A 40 -36.095 11.003 10.863 1.00 0.00 H new ATOM 0 HG1 THR A 40 -34.193 9.717 10.293 1.00 0.00 H new ATOM 0 HG21 THR A 40 -35.959 8.601 11.443 1.00 0.00 H new ATOM 0 HG22 THR A 40 -37.624 9.081 11.036 1.00 0.00 H new ATOM 0 HG23 THR A 40 -36.642 8.184 9.853 1.00 0.00 H new ATOM 610 N GLY A 41 -39.154 10.650 10.007 1.00 0.00 N ATOM 611 CA GLY A 41 -40.351 11.169 10.602 1.00 0.00 C ATOM 612 C GLY A 41 -41.354 10.066 10.765 1.00 0.00 C ATOM 613 O GLY A 41 -41.036 8.905 10.491 1.00 0.00 O ATOM 0 H GLY A 41 -39.093 9.632 10.005 1.00 0.00 H new ATOM 0 HA2 GLY A 41 -40.124 11.613 11.571 1.00 0.00 H new ATOM 0 HA3 GLY A 41 -40.765 11.961 9.978 1.00 0.00 H new ATOM 617 N ALA A 42 -42.561 10.395 11.176 1.00 0.00 N ATOM 618 CA ALA A 42 -43.573 9.375 11.392 1.00 0.00 C ATOM 619 C ALA A 42 -44.103 8.829 10.072 1.00 0.00 C ATOM 620 O ALA A 42 -44.455 7.660 9.977 1.00 0.00 O ATOM 621 CB ALA A 42 -44.714 9.934 12.229 1.00 0.00 C ATOM 0 H ALA A 42 -42.866 11.350 11.366 1.00 0.00 H new ATOM 0 HA ALA A 42 -43.107 8.550 11.931 1.00 0.00 H new ATOM 0 HB1 ALA A 42 -45.465 9.160 12.383 1.00 0.00 H new ATOM 0 HB2 ALA A 42 -44.330 10.264 13.194 1.00 0.00 H new ATOM 0 HB3 ALA A 42 -45.166 10.779 11.710 1.00 0.00 H new ATOM 627 N GLU A 43 -44.156 9.677 9.053 1.00 0.00 N ATOM 628 CA GLU A 43 -44.658 9.261 7.746 1.00 0.00 C ATOM 629 C GLU A 43 -43.530 9.084 6.735 1.00 0.00 C ATOM 630 O GLU A 43 -43.766 8.740 5.576 1.00 0.00 O ATOM 631 CB GLU A 43 -45.656 10.293 7.230 1.00 0.00 C ATOM 632 CG GLU A 43 -46.772 10.606 8.209 1.00 0.00 C ATOM 633 CD GLU A 43 -47.656 11.737 7.740 1.00 0.00 C ATOM 634 OE1 GLU A 43 -47.148 12.867 7.592 1.00 0.00 O ATOM 635 OE2 GLU A 43 -48.869 11.507 7.537 1.00 0.00 O ATOM 0 H GLU A 43 -43.860 10.652 9.103 1.00 0.00 H new ATOM 0 HA GLU A 43 -45.148 8.295 7.867 1.00 0.00 H new ATOM 0 HB2 GLU A 43 -45.123 11.214 6.994 1.00 0.00 H new ATOM 0 HB3 GLU A 43 -46.092 9.930 6.300 1.00 0.00 H new ATOM 0 HG2 GLU A 43 -47.379 9.713 8.359 1.00 0.00 H new ATOM 0 HG3 GLU A 43 -46.340 10.864 9.176 1.00 0.00 H new ATOM 642 N CYS A 44 -42.316 9.302 7.171 1.00 0.00 N ATOM 643 CA CYS A 44 -41.173 9.217 6.278 1.00 0.00 C ATOM 644 C CYS A 44 -40.462 7.877 6.394 1.00 0.00 C ATOM 645 O CYS A 44 -39.956 7.519 7.459 1.00 0.00 O ATOM 646 CB CYS A 44 -40.189 10.357 6.544 1.00 0.00 C ATOM 647 SG CYS A 44 -40.885 12.024 6.294 1.00 0.00 S ATOM 0 H CYS A 44 -42.086 9.540 8.136 1.00 0.00 H new ATOM 0 HA CYS A 44 -41.554 9.307 5.261 1.00 0.00 H new ATOM 0 HB2 CYS A 44 -39.827 10.277 7.569 1.00 0.00 H new ATOM 0 HB3 CYS A 44 -39.325 10.235 5.891 1.00 0.00 H new ATOM 0 HG CYS A 44 -39.974 12.917 6.547 1.00 0.00 H new ATOM 652 N LYS A 45 -40.456 7.135 5.299 1.00 0.00 N ATOM 653 CA LYS A 45 -39.736 5.879 5.218 1.00 0.00 C ATOM 654 C LYS A 45 -39.031 5.778 3.884 1.00 0.00 C ATOM 655 O LYS A 45 -39.579 6.196 2.855 1.00 0.00 O ATOM 656 CB LYS A 45 -40.635 4.660 5.439 1.00 0.00 C ATOM 657 CG LYS A 45 -41.952 4.733 4.739 1.00 0.00 C ATOM 658 CD LYS A 45 -43.009 5.274 5.667 1.00 0.00 C ATOM 659 CE LYS A 45 -44.361 5.379 4.983 1.00 0.00 C ATOM 660 NZ LYS A 45 -44.422 6.528 4.049 1.00 0.00 N ATOM 0 H LYS A 45 -40.950 7.388 4.443 1.00 0.00 H new ATOM 0 HA LYS A 45 -39.004 5.875 6.026 1.00 0.00 H new ATOM 0 HB2 LYS A 45 -40.107 3.768 5.103 1.00 0.00 H new ATOM 0 HB3 LYS A 45 -40.811 4.542 6.508 1.00 0.00 H new ATOM 0 HG2 LYS A 45 -41.869 5.372 3.860 1.00 0.00 H new ATOM 0 HG3 LYS A 45 -42.240 3.742 4.387 1.00 0.00 H new ATOM 0 HD2 LYS A 45 -43.093 4.626 6.540 1.00 0.00 H new ATOM 0 HD3 LYS A 45 -42.707 6.257 6.028 1.00 0.00 H new ATOM 0 HE2 LYS A 45 -44.564 4.457 4.438 1.00 0.00 H new ATOM 0 HE3 LYS A 45 -45.142 5.482 5.737 1.00 0.00 H new ATOM 0 HZ1 LYS A 45 -45.343 6.534 3.566 1.00 0.00 H new ATOM 0 HZ2 LYS A 45 -44.304 7.414 4.581 1.00 0.00 H new ATOM 0 HZ3 LYS A 45 -43.662 6.443 3.344 1.00 0.00 H new ATOM 674 N GLN A 46 -37.813 5.244 3.906 1.00 0.00 N ATOM 675 CA GLN A 46 -36.983 5.109 2.711 1.00 0.00 C ATOM 676 C GLN A 46 -36.645 6.467 2.111 1.00 0.00 C ATOM 677 O GLN A 46 -36.264 6.574 0.947 1.00 0.00 O ATOM 678 CB GLN A 46 -37.652 4.195 1.687 1.00 0.00 C ATOM 679 CG GLN A 46 -37.700 2.748 2.138 1.00 0.00 C ATOM 680 CD GLN A 46 -36.318 2.127 2.223 1.00 0.00 C ATOM 681 OE1 GLN A 46 -35.415 2.483 1.463 1.00 0.00 O ATOM 682 NE2 GLN A 46 -36.137 1.211 3.150 1.00 0.00 N ATOM 0 H GLN A 46 -37.372 4.891 4.755 1.00 0.00 H new ATOM 0 HA GLN A 46 -36.042 4.646 3.007 1.00 0.00 H new ATOM 0 HB2 GLN A 46 -38.667 4.547 1.500 1.00 0.00 H new ATOM 0 HB3 GLN A 46 -37.113 4.259 0.742 1.00 0.00 H new ATOM 0 HG2 GLN A 46 -38.183 2.689 3.113 1.00 0.00 H new ATOM 0 HG3 GLN A 46 -38.313 2.173 1.444 1.00 0.00 H new ATOM 0 HE21 GLN A 46 -36.909 0.943 3.760 1.00 0.00 H new ATOM 0 HE22 GLN A 46 -35.224 0.769 3.259 1.00 0.00 H new ATOM 691 N THR A 47 -36.772 7.502 2.925 1.00 0.00 N ATOM 692 CA THR A 47 -36.440 8.837 2.510 1.00 0.00 C ATOM 693 C THR A 47 -34.945 9.054 2.688 1.00 0.00 C ATOM 694 O THR A 47 -34.492 9.656 3.666 1.00 0.00 O ATOM 695 CB THR A 47 -37.197 9.861 3.338 1.00 0.00 C ATOM 696 OG1 THR A 47 -38.455 9.302 3.754 1.00 0.00 O ATOM 697 CG2 THR A 47 -37.450 11.118 2.530 1.00 0.00 C ATOM 0 H THR A 47 -37.107 7.432 3.886 1.00 0.00 H new ATOM 0 HA THR A 47 -36.719 8.961 1.464 1.00 0.00 H new ATOM 0 HB THR A 47 -36.596 10.119 4.210 1.00 0.00 H new ATOM 0 HG1 THR A 47 -39.153 9.987 3.694 1.00 0.00 H new ATOM 0 HG21 THR A 47 -37.993 11.840 3.140 1.00 0.00 H new ATOM 0 HG22 THR A 47 -36.498 11.549 2.220 1.00 0.00 H new ATOM 0 HG23 THR A 47 -38.041 10.871 1.648 1.00 0.00 H new ATOM 705 N MET A 48 -34.195 8.523 1.765 1.00 0.00 N ATOM 706 CA MET A 48 -32.744 8.562 1.843 1.00 0.00 C ATOM 707 C MET A 48 -32.138 8.965 0.514 1.00 0.00 C ATOM 708 O MET A 48 -32.740 8.755 -0.545 1.00 0.00 O ATOM 709 CB MET A 48 -32.207 7.186 2.266 1.00 0.00 C ATOM 710 CG MET A 48 -32.798 6.664 3.567 1.00 0.00 C ATOM 711 SD MET A 48 -32.228 5.007 3.984 1.00 0.00 S ATOM 712 CE MET A 48 -33.098 4.728 5.528 1.00 0.00 C ATOM 0 H MET A 48 -34.559 8.051 0.938 1.00 0.00 H new ATOM 0 HA MET A 48 -32.462 9.307 2.587 1.00 0.00 H new ATOM 0 HB2 MET A 48 -32.412 6.468 1.472 1.00 0.00 H new ATOM 0 HB3 MET A 48 -31.124 7.246 2.370 1.00 0.00 H new ATOM 0 HG2 MET A 48 -32.539 7.346 4.377 1.00 0.00 H new ATOM 0 HG3 MET A 48 -33.885 6.660 3.490 1.00 0.00 H new ATOM 0 HE1 MET A 48 -32.848 3.740 5.913 1.00 0.00 H new ATOM 0 HE2 MET A 48 -32.803 5.486 6.254 1.00 0.00 H new ATOM 0 HE3 MET A 48 -34.173 4.789 5.356 1.00 0.00 H new ATOM 722 N LYS A 49 -30.961 9.562 0.568 1.00 0.00 N ATOM 723 CA LYS A 49 -30.255 9.961 -0.628 1.00 0.00 C ATOM 724 C LYS A 49 -28.754 9.883 -0.407 1.00 0.00 C ATOM 725 O LYS A 49 -28.237 10.390 0.591 1.00 0.00 O ATOM 726 CB LYS A 49 -30.658 11.379 -1.030 1.00 0.00 C ATOM 727 CG LYS A 49 -30.072 11.842 -2.353 1.00 0.00 C ATOM 728 CD LYS A 49 -30.442 10.897 -3.486 1.00 0.00 C ATOM 729 CE LYS A 49 -30.080 11.483 -4.837 1.00 0.00 C ATOM 730 NZ LYS A 49 -30.837 12.730 -5.116 1.00 0.00 N ATOM 0 H LYS A 49 -30.474 9.781 1.437 1.00 0.00 H new ATOM 0 HA LYS A 49 -30.523 9.279 -1.435 1.00 0.00 H new ATOM 0 HB2 LYS A 49 -31.745 11.433 -1.088 1.00 0.00 H new ATOM 0 HB3 LYS A 49 -30.346 12.069 -0.246 1.00 0.00 H new ATOM 0 HG2 LYS A 49 -30.433 12.845 -2.581 1.00 0.00 H new ATOM 0 HG3 LYS A 49 -28.987 11.905 -2.270 1.00 0.00 H new ATOM 0 HD2 LYS A 49 -29.927 9.946 -3.351 1.00 0.00 H new ATOM 0 HD3 LYS A 49 -31.511 10.688 -3.453 1.00 0.00 H new ATOM 0 HE2 LYS A 49 -29.011 11.692 -4.868 1.00 0.00 H new ATOM 0 HE3 LYS A 49 -30.285 10.751 -5.618 1.00 0.00 H new ATOM 0 HZ1 LYS A 49 -30.848 12.907 -6.141 1.00 0.00 H new ATOM 0 HZ2 LYS A 49 -31.813 12.628 -4.771 1.00 0.00 H new ATOM 0 HZ3 LYS A 49 -30.380 13.529 -4.632 1.00 0.00 H new ATOM 744 N THR A 50 -28.056 9.263 -1.328 1.00 0.00 N ATOM 745 CA THR A 50 -26.625 9.129 -1.250 1.00 0.00 C ATOM 746 C THR A 50 -26.003 9.862 -2.435 1.00 0.00 C ATOM 747 O THR A 50 -26.509 9.778 -3.556 1.00 0.00 O ATOM 748 CB THR A 50 -26.200 7.645 -1.285 1.00 0.00 C ATOM 749 OG1 THR A 50 -27.105 6.852 -0.485 1.00 0.00 O ATOM 750 CG2 THR A 50 -24.782 7.479 -0.758 1.00 0.00 C ATOM 0 H THR A 50 -28.469 8.835 -2.157 1.00 0.00 H new ATOM 0 HA THR A 50 -26.281 9.557 -0.308 1.00 0.00 H new ATOM 0 HB THR A 50 -26.234 7.305 -2.320 1.00 0.00 H new ATOM 0 HG1 THR A 50 -26.706 6.689 0.395 1.00 0.00 H new ATOM 0 HG21 THR A 50 -24.502 6.426 -0.791 1.00 0.00 H new ATOM 0 HG22 THR A 50 -24.094 8.057 -1.376 1.00 0.00 H new ATOM 0 HG23 THR A 50 -24.732 7.835 0.271 1.00 0.00 H new ATOM 758 N GLN A 51 -24.931 10.576 -2.193 1.00 0.00 N ATOM 759 CA GLN A 51 -24.287 11.372 -3.227 1.00 0.00 C ATOM 760 C GLN A 51 -22.793 11.123 -3.246 1.00 0.00 C ATOM 761 O GLN A 51 -22.198 10.777 -2.221 1.00 0.00 O ATOM 762 CB GLN A 51 -24.551 12.864 -2.985 1.00 0.00 C ATOM 763 CG GLN A 51 -26.019 13.266 -3.053 1.00 0.00 C ATOM 764 CD GLN A 51 -26.247 14.702 -2.618 1.00 0.00 C ATOM 765 OE1 GLN A 51 -25.370 15.553 -2.763 1.00 0.00 O ATOM 766 NE2 GLN A 51 -27.424 14.979 -2.084 1.00 0.00 N ATOM 0 H GLN A 51 -24.477 10.627 -1.281 1.00 0.00 H new ATOM 0 HA GLN A 51 -24.705 11.078 -4.190 1.00 0.00 H new ATOM 0 HB2 GLN A 51 -24.158 13.135 -2.005 1.00 0.00 H new ATOM 0 HB3 GLN A 51 -23.995 13.443 -3.722 1.00 0.00 H new ATOM 0 HG2 GLN A 51 -26.381 13.136 -4.073 1.00 0.00 H new ATOM 0 HG3 GLN A 51 -26.605 12.600 -2.419 1.00 0.00 H new ATOM 0 HE21 GLN A 51 -28.123 14.244 -1.982 1.00 0.00 H new ATOM 0 HE22 GLN A 51 -27.633 15.928 -1.774 1.00 0.00 H new ATOM 775 N ARG A 52 -22.186 11.295 -4.405 1.00 0.00 N ATOM 776 CA ARG A 52 -20.752 11.160 -4.540 1.00 0.00 C ATOM 777 C ARG A 52 -20.113 12.494 -4.194 1.00 0.00 C ATOM 778 O ARG A 52 -20.532 13.540 -4.690 1.00 0.00 O ATOM 779 CB ARG A 52 -20.374 10.744 -5.965 1.00 0.00 C ATOM 780 CG ARG A 52 -20.818 11.731 -7.031 1.00 0.00 C ATOM 781 CD ARG A 52 -20.217 11.401 -8.383 1.00 0.00 C ATOM 782 NE ARG A 52 -20.453 12.473 -9.358 1.00 0.00 N ATOM 783 CZ ARG A 52 -20.314 12.344 -10.682 1.00 0.00 C ATOM 784 NH1 ARG A 52 -19.982 11.171 -11.214 1.00 0.00 N ATOM 785 NH2 ARG A 52 -20.523 13.390 -11.470 1.00 0.00 N ATOM 0 H ARG A 52 -22.670 11.530 -5.271 1.00 0.00 H new ATOM 0 HA ARG A 52 -20.393 10.384 -3.864 1.00 0.00 H new ATOM 0 HB2 ARG A 52 -19.292 10.623 -6.023 1.00 0.00 H new ATOM 0 HB3 ARG A 52 -20.815 9.770 -6.178 1.00 0.00 H new ATOM 0 HG2 ARG A 52 -21.906 11.723 -7.104 1.00 0.00 H new ATOM 0 HG3 ARG A 52 -20.525 12.739 -6.738 1.00 0.00 H new ATOM 0 HD2 ARG A 52 -19.145 11.237 -8.275 1.00 0.00 H new ATOM 0 HD3 ARG A 52 -20.646 10.470 -8.754 1.00 0.00 H new ATOM 0 HE ARG A 52 -20.744 13.382 -9.000 1.00 0.00 H new ATOM 0 HH11 ARG A 52 -19.832 10.362 -10.611 1.00 0.00 H new ATOM 0 HH12 ARG A 52 -19.878 11.081 -12.225 1.00 0.00 H new ATOM 0 HH21 ARG A 52 -20.789 14.288 -11.066 1.00 0.00 H new ATOM 0 HH22 ARG A 52 -20.418 13.296 -12.480 1.00 0.00 H new ATOM 799 N CYS A 53 -19.140 12.472 -3.328 1.00 0.00 N ATOM 800 CA CYS A 53 -18.537 13.699 -2.871 1.00 0.00 C ATOM 801 C CYS A 53 -17.281 13.995 -3.691 1.00 0.00 C ATOM 802 O CYS A 53 -16.899 13.206 -4.557 1.00 0.00 O ATOM 803 CB CYS A 53 -18.208 13.608 -1.383 1.00 0.00 C ATOM 804 SG CYS A 53 -17.894 15.216 -0.592 1.00 0.00 S ATOM 0 H CYS A 53 -18.746 11.623 -2.923 1.00 0.00 H new ATOM 0 HA CYS A 53 -19.243 14.518 -3.009 1.00 0.00 H new ATOM 0 HB2 CYS A 53 -19.034 13.117 -0.869 1.00 0.00 H new ATOM 0 HB3 CYS A 53 -17.331 12.974 -1.254 1.00 0.00 H new ATOM 809 N LYS A 54 -16.633 15.105 -3.400 1.00 0.00 N ATOM 810 CA LYS A 54 -15.474 15.536 -4.160 1.00 0.00 C ATOM 811 C LYS A 54 -14.210 15.496 -3.311 1.00 0.00 C ATOM 812 O LYS A 54 -14.228 15.800 -2.115 1.00 0.00 O ATOM 813 CB LYS A 54 -15.692 16.944 -4.702 1.00 0.00 C ATOM 814 CG LYS A 54 -15.696 17.994 -3.623 1.00 0.00 C ATOM 815 CD LYS A 54 -16.290 19.300 -4.112 1.00 0.00 C ATOM 816 CE LYS A 54 -16.390 20.322 -2.987 1.00 0.00 C ATOM 817 NZ LYS A 54 -17.349 19.903 -1.931 1.00 0.00 N ATOM 0 H LYS A 54 -16.891 15.730 -2.637 1.00 0.00 H new ATOM 0 HA LYS A 54 -15.346 14.846 -4.994 1.00 0.00 H new ATOM 0 HB2 LYS A 54 -14.909 17.175 -5.424 1.00 0.00 H new ATOM 0 HB3 LYS A 54 -16.640 16.978 -5.239 1.00 0.00 H new ATOM 0 HG2 LYS A 54 -16.266 17.633 -2.767 1.00 0.00 H new ATOM 0 HG3 LYS A 54 -14.676 18.165 -3.278 1.00 0.00 H new ATOM 0 HD2 LYS A 54 -15.675 19.702 -4.917 1.00 0.00 H new ATOM 0 HD3 LYS A 54 -17.281 19.117 -4.529 1.00 0.00 H new ATOM 0 HE2 LYS A 54 -15.405 20.469 -2.543 1.00 0.00 H new ATOM 0 HE3 LYS A 54 -16.701 21.283 -3.398 1.00 0.00 H new ATOM 0 HZ1 LYS A 54 -17.565 20.714 -1.317 1.00 0.00 H new ATOM 0 HZ2 LYS A 54 -18.225 19.561 -2.374 1.00 0.00 H new ATOM 0 HZ3 LYS A 54 -16.928 19.141 -1.362 1.00 0.00 H new ATOM 831 N ILE A 55 -13.144 15.086 -3.930 1.00 0.00 N ATOM 832 CA ILE A 55 -11.849 15.007 -3.278 1.00 0.00 C ATOM 833 C ILE A 55 -10.807 15.831 -4.044 1.00 0.00 C ATOM 834 O ILE A 55 -10.567 15.599 -5.234 1.00 0.00 O ATOM 835 CB ILE A 55 -11.354 13.534 -3.116 1.00 0.00 C ATOM 836 CG1 ILE A 55 -9.973 13.506 -2.444 1.00 0.00 C ATOM 837 CG2 ILE A 55 -11.310 12.822 -4.466 1.00 0.00 C ATOM 838 CD1 ILE A 55 -9.614 12.172 -1.838 1.00 0.00 C ATOM 0 H ILE A 55 -13.137 14.793 -4.907 1.00 0.00 H new ATOM 0 HA ILE A 55 -11.973 15.423 -2.278 1.00 0.00 H new ATOM 0 HB ILE A 55 -12.061 13.003 -2.479 1.00 0.00 H new ATOM 0 HG12 ILE A 55 -9.216 13.775 -3.181 1.00 0.00 H new ATOM 0 HG13 ILE A 55 -9.944 14.268 -1.665 1.00 0.00 H new ATOM 0 HG21 ILE A 55 -10.962 11.798 -4.326 1.00 0.00 H new ATOM 0 HG22 ILE A 55 -12.308 12.810 -4.904 1.00 0.00 H new ATOM 0 HG23 ILE A 55 -10.628 13.349 -5.133 1.00 0.00 H new ATOM 0 HD11 ILE A 55 -8.625 12.233 -1.383 1.00 0.00 H new ATOM 0 HD12 ILE A 55 -10.348 11.909 -1.076 1.00 0.00 H new ATOM 0 HD13 ILE A 55 -9.609 11.409 -2.616 1.00 0.00 H new ATOM 850 N PRO A 56 -10.202 16.833 -3.385 1.00 0.00 N ATOM 851 CA PRO A 56 -9.168 17.657 -3.997 1.00 0.00 C ATOM 852 C PRO A 56 -7.869 16.878 -4.204 1.00 0.00 C ATOM 853 O PRO A 56 -7.082 16.692 -3.269 1.00 0.00 O ATOM 854 CB PRO A 56 -8.949 18.804 -2.989 1.00 0.00 C ATOM 855 CG PRO A 56 -10.076 18.695 -2.013 1.00 0.00 C ATOM 856 CD PRO A 56 -10.493 17.255 -2.011 1.00 0.00 C ATOM 0 HA PRO A 56 -9.465 18.006 -4.986 1.00 0.00 H new ATOM 0 HB2 PRO A 56 -7.985 18.709 -2.489 1.00 0.00 H new ATOM 0 HB3 PRO A 56 -8.954 19.773 -3.489 1.00 0.00 H new ATOM 0 HG2 PRO A 56 -9.761 19.010 -1.018 1.00 0.00 H new ATOM 0 HG3 PRO A 56 -10.906 19.340 -2.303 1.00 0.00 H new ATOM 0 HD2 PRO A 56 -9.932 16.672 -1.281 1.00 0.00 H new ATOM 0 HD3 PRO A 56 -11.549 17.140 -1.767 1.00 0.00 H new ATOM 864 N CYS A 57 -7.671 16.397 -5.410 1.00 0.00 N ATOM 865 CA CYS A 57 -6.472 15.662 -5.751 1.00 0.00 C ATOM 866 C CYS A 57 -5.337 16.628 -6.037 1.00 0.00 C ATOM 867 O CYS A 57 -5.394 17.406 -6.992 1.00 0.00 O ATOM 868 CB CYS A 57 -6.720 14.765 -6.969 1.00 0.00 C ATOM 869 SG CYS A 57 -5.272 13.778 -7.477 1.00 0.00 S ATOM 0 H CYS A 57 -8.332 16.503 -6.180 1.00 0.00 H new ATOM 0 HA CYS A 57 -6.198 15.030 -4.906 1.00 0.00 H new ATOM 0 HB2 CYS A 57 -7.546 14.090 -6.747 1.00 0.00 H new ATOM 0 HB3 CYS A 57 -7.034 15.388 -7.807 1.00 0.00 H new ATOM 993 N GLY A 64 0.254 12.601 -18.615 1.00 0.00 N ATOM 994 CA GLY A 64 -0.692 11.626 -19.099 1.00 0.00 C ATOM 995 C GLY A 64 -1.190 10.734 -17.987 1.00 0.00 C ATOM 996 O GLY A 64 -0.399 10.218 -17.196 1.00 0.00 O ATOM 0 HA2 GLY A 64 -1.536 12.136 -19.562 1.00 0.00 H new ATOM 0 HA3 GLY A 64 -0.224 11.017 -19.873 1.00 0.00 H new ATOM 1000 N ALA A 65 -2.495 10.554 -17.914 1.00 0.00 N ATOM 1001 CA ALA A 65 -3.092 9.718 -16.887 1.00 0.00 C ATOM 1002 C ALA A 65 -3.742 8.488 -17.505 1.00 0.00 C ATOM 1003 O ALA A 65 -3.187 7.388 -17.447 1.00 0.00 O ATOM 1004 CB ALA A 65 -4.104 10.513 -16.069 1.00 0.00 C ATOM 0 H ALA A 65 -3.165 10.977 -18.556 1.00 0.00 H new ATOM 0 HA ALA A 65 -2.301 9.382 -16.216 1.00 0.00 H new ATOM 0 HB1 ALA A 65 -4.540 9.869 -15.305 1.00 0.00 H new ATOM 0 HB2 ALA A 65 -3.604 11.356 -15.591 1.00 0.00 H new ATOM 0 HB3 ALA A 65 -4.892 10.883 -16.725 1.00 0.00 H new ATOM 1010 N GLU A 66 -4.906 8.680 -18.112 1.00 0.00 N ATOM 1011 CA GLU A 66 -5.625 7.583 -18.752 1.00 0.00 C ATOM 1012 C GLU A 66 -5.277 7.505 -20.223 1.00 0.00 C ATOM 1013 O GLU A 66 -5.418 6.454 -20.859 1.00 0.00 O ATOM 1014 CB GLU A 66 -7.132 7.763 -18.569 1.00 0.00 C ATOM 1015 CG GLU A 66 -7.608 7.458 -17.164 1.00 0.00 C ATOM 1016 CD GLU A 66 -7.567 5.976 -16.859 1.00 0.00 C ATOM 1017 OE1 GLU A 66 -8.587 5.289 -17.080 1.00 0.00 O ATOM 1018 OE2 GLU A 66 -6.510 5.481 -16.422 1.00 0.00 O ATOM 0 H GLU A 66 -5.373 9.584 -18.175 1.00 0.00 H new ATOM 0 HA GLU A 66 -5.324 6.648 -18.279 1.00 0.00 H new ATOM 0 HB2 GLU A 66 -7.401 8.789 -18.821 1.00 0.00 H new ATOM 0 HB3 GLU A 66 -7.656 7.114 -19.271 1.00 0.00 H new ATOM 0 HG2 GLU A 66 -6.986 7.993 -16.447 1.00 0.00 H new ATOM 0 HG3 GLU A 66 -8.626 7.826 -17.039 1.00 0.00 H new ATOM 1025 N CYS A 67 -4.800 8.609 -20.757 1.00 0.00 N ATOM 1026 CA CYS A 67 -4.395 8.663 -22.138 1.00 0.00 C ATOM 1027 C CYS A 67 -2.992 8.140 -22.267 1.00 0.00 C ATOM 1028 O CYS A 67 -2.250 8.085 -21.284 1.00 0.00 O ATOM 1029 CB CYS A 67 -4.452 10.083 -22.664 1.00 0.00 C ATOM 1030 SG CYS A 67 -6.051 10.906 -22.432 1.00 0.00 S ATOM 0 H CYS A 67 -4.684 9.485 -20.248 1.00 0.00 H new ATOM 0 HA CYS A 67 -5.079 8.049 -22.724 1.00 0.00 H new ATOM 0 HB2 CYS A 67 -3.679 10.672 -22.169 1.00 0.00 H new ATOM 0 HB3 CYS A 67 -4.213 10.073 -23.728 1.00 0.00 H new ATOM 1035 N LYS A 68 -2.626 7.758 -23.458 1.00 0.00 N ATOM 1036 CA LYS A 68 -1.317 7.226 -23.702 1.00 0.00 C ATOM 1037 C LYS A 68 -0.705 7.922 -24.892 1.00 0.00 C ATOM 1038 O LYS A 68 -1.317 8.002 -25.962 1.00 0.00 O ATOM 1039 CB LYS A 68 -1.417 5.720 -23.933 1.00 0.00 C ATOM 1040 CG LYS A 68 -2.095 5.003 -22.778 1.00 0.00 C ATOM 1041 CD LYS A 68 -2.522 3.599 -23.140 1.00 0.00 C ATOM 1042 CE LYS A 68 -3.416 3.017 -22.055 1.00 0.00 C ATOM 1043 NZ LYS A 68 -4.656 3.824 -21.861 1.00 0.00 N ATOM 0 H LYS A 68 -3.224 7.807 -24.283 1.00 0.00 H new ATOM 0 HA LYS A 68 -0.675 7.399 -22.838 1.00 0.00 H new ATOM 0 HB2 LYS A 68 -1.973 5.532 -24.851 1.00 0.00 H new ATOM 0 HB3 LYS A 68 -0.417 5.309 -24.076 1.00 0.00 H new ATOM 0 HG2 LYS A 68 -1.414 4.964 -21.928 1.00 0.00 H new ATOM 0 HG3 LYS A 68 -2.967 5.575 -22.461 1.00 0.00 H new ATOM 0 HD2 LYS A 68 -3.054 3.608 -24.091 1.00 0.00 H new ATOM 0 HD3 LYS A 68 -1.643 2.968 -23.272 1.00 0.00 H new ATOM 0 HE2 LYS A 68 -3.686 1.994 -22.318 1.00 0.00 H new ATOM 0 HE3 LYS A 68 -2.864 2.970 -21.117 1.00 0.00 H new ATOM 0 HZ1 LYS A 68 -5.371 3.250 -21.371 1.00 0.00 H new ATOM 0 HZ2 LYS A 68 -4.437 4.665 -21.290 1.00 0.00 H new ATOM 0 HZ3 LYS A 68 -5.026 4.120 -22.787 1.00 0.00 H new ATOM 1057 N TYR A 69 0.488 8.427 -24.711 1.00 0.00 N ATOM 1058 CA TYR A 69 1.160 9.136 -25.763 1.00 0.00 C ATOM 1059 C TYR A 69 2.318 8.330 -26.290 1.00 0.00 C ATOM 1060 O TYR A 69 3.175 7.873 -25.525 1.00 0.00 O ATOM 1061 CB TYR A 69 1.665 10.488 -25.272 1.00 0.00 C ATOM 1062 CG TYR A 69 0.575 11.493 -25.011 1.00 0.00 C ATOM 1063 CD1 TYR A 69 0.338 11.975 -23.733 1.00 0.00 C ATOM 1064 CD2 TYR A 69 -0.215 11.972 -26.047 1.00 0.00 C ATOM 1065 CE1 TYR A 69 -0.651 12.905 -23.496 1.00 0.00 C ATOM 1066 CE2 TYR A 69 -1.199 12.894 -25.821 1.00 0.00 C ATOM 1067 CZ TYR A 69 -1.417 13.363 -24.544 1.00 0.00 C ATOM 1068 OH TYR A 69 -2.408 14.285 -24.315 1.00 0.00 O ATOM 0 H TYR A 69 1.014 8.359 -23.840 1.00 0.00 H new ATOM 0 HA TYR A 69 0.440 9.298 -26.566 1.00 0.00 H new ATOM 0 HB2 TYR A 69 2.235 10.340 -24.355 1.00 0.00 H new ATOM 0 HB3 TYR A 69 2.353 10.898 -26.012 1.00 0.00 H new ATOM 0 HD1 TYR A 69 0.938 11.616 -22.910 1.00 0.00 H new ATOM 0 HD2 TYR A 69 -0.049 11.609 -27.051 1.00 0.00 H new ATOM 0 HE1 TYR A 69 -0.824 13.272 -22.495 1.00 0.00 H new ATOM 0 HE2 TYR A 69 -1.803 13.253 -26.641 1.00 0.00 H new ATOM 0 HH TYR A 69 -2.008 15.171 -24.191 1.00 0.00 H new ATOM 1078 N GLN A 70 2.356 8.165 -27.581 1.00 0.00 N ATOM 1079 CA GLN A 70 3.439 7.469 -28.218 1.00 0.00 C ATOM 1080 C GLN A 70 4.376 8.506 -28.790 1.00 0.00 C ATOM 1081 O GLN A 70 3.977 9.310 -29.636 1.00 0.00 O ATOM 1082 CB GLN A 70 2.887 6.530 -29.313 1.00 0.00 C ATOM 1083 CG GLN A 70 3.945 5.733 -30.072 1.00 0.00 C ATOM 1084 CD GLN A 70 4.530 6.498 -31.246 1.00 0.00 C ATOM 1085 OE1 GLN A 70 3.852 7.314 -31.865 1.00 0.00 O ATOM 1086 NE2 GLN A 70 5.782 6.245 -31.550 1.00 0.00 N ATOM 0 H GLN A 70 1.640 8.508 -28.221 1.00 0.00 H new ATOM 0 HA GLN A 70 3.981 6.847 -27.506 1.00 0.00 H new ATOM 0 HB2 GLN A 70 2.188 5.832 -28.853 1.00 0.00 H new ATOM 0 HB3 GLN A 70 2.319 7.125 -30.028 1.00 0.00 H new ATOM 0 HG2 GLN A 70 4.747 5.459 -29.387 1.00 0.00 H new ATOM 0 HG3 GLN A 70 3.503 4.804 -30.433 1.00 0.00 H new ATOM 0 HE21 GLN A 70 6.309 5.559 -31.010 1.00 0.00 H new ATOM 0 HE22 GLN A 70 6.227 6.734 -32.326 1.00 0.00 H new ATOM 1095 N PHE A 71 5.604 8.530 -28.307 1.00 0.00 N ATOM 1096 CA PHE A 71 6.552 9.524 -28.729 1.00 0.00 C ATOM 1097 C PHE A 71 7.485 8.975 -29.784 1.00 0.00 C ATOM 1098 O PHE A 71 7.847 7.797 -29.756 1.00 0.00 O ATOM 1099 CB PHE A 71 7.352 10.063 -27.528 1.00 0.00 C ATOM 1100 CG PHE A 71 8.172 9.022 -26.804 1.00 0.00 C ATOM 1101 CD1 PHE A 71 9.523 8.866 -27.083 1.00 0.00 C ATOM 1102 CD2 PHE A 71 7.596 8.204 -25.844 1.00 0.00 C ATOM 1103 CE1 PHE A 71 10.278 7.916 -26.423 1.00 0.00 C ATOM 1104 CE2 PHE A 71 8.346 7.251 -25.183 1.00 0.00 C ATOM 1105 CZ PHE A 71 9.690 7.108 -25.473 1.00 0.00 C ATOM 0 H PHE A 71 5.962 7.867 -27.620 1.00 0.00 H new ATOM 0 HA PHE A 71 5.993 10.350 -29.169 1.00 0.00 H new ATOM 0 HB2 PHE A 71 8.017 10.854 -27.876 1.00 0.00 H new ATOM 0 HB3 PHE A 71 6.659 10.518 -26.820 1.00 0.00 H new ATOM 0 HD1 PHE A 71 9.990 9.496 -27.826 1.00 0.00 H new ATOM 0 HD2 PHE A 71 6.547 8.313 -25.610 1.00 0.00 H new ATOM 0 HE1 PHE A 71 11.328 7.806 -26.651 1.00 0.00 H new ATOM 0 HE2 PHE A 71 7.883 6.618 -24.440 1.00 0.00 H new ATOM 0 HZ PHE A 71 10.279 6.364 -24.956 1.00 0.00 H new ATOM 1115 N GLN A 72 7.865 9.819 -30.707 1.00 0.00 N ATOM 1116 CA GLN A 72 8.821 9.451 -31.705 1.00 0.00 C ATOM 1117 C GLN A 72 10.207 9.781 -31.173 1.00 0.00 C ATOM 1118 O GLN A 72 10.332 10.566 -30.220 1.00 0.00 O ATOM 1119 CB GLN A 72 8.541 10.169 -33.029 1.00 0.00 C ATOM 1120 CG GLN A 72 9.358 11.419 -33.239 1.00 0.00 C ATOM 1121 CD GLN A 72 8.912 12.209 -34.454 1.00 0.00 C ATOM 1122 OE1 GLN A 72 8.390 11.645 -35.419 1.00 0.00 O ATOM 1123 NE2 GLN A 72 9.121 13.508 -34.426 1.00 0.00 N ATOM 0 H GLN A 72 7.519 10.776 -30.784 1.00 0.00 H new ATOM 0 HA GLN A 72 8.753 8.383 -31.913 1.00 0.00 H new ATOM 0 HB2 GLN A 72 8.734 9.480 -33.851 1.00 0.00 H new ATOM 0 HB3 GLN A 72 7.483 10.428 -33.072 1.00 0.00 H new ATOM 0 HG2 GLN A 72 9.285 12.050 -32.353 1.00 0.00 H new ATOM 0 HG3 GLN A 72 10.408 11.148 -33.352 1.00 0.00 H new ATOM 0 HE21 GLN A 72 9.556 13.937 -33.609 1.00 0.00 H new ATOM 0 HE22 GLN A 72 8.848 14.086 -35.221 1.00 0.00 H new ATOM 1132 N ALA A 73 11.220 9.190 -31.787 1.00 0.00 N ATOM 1133 CA ALA A 73 12.613 9.320 -31.345 1.00 0.00 C ATOM 1134 C ALA A 73 12.842 8.544 -30.048 1.00 0.00 C ATOM 1135 O ALA A 73 12.263 8.855 -29.008 1.00 0.00 O ATOM 1136 CB ALA A 73 13.033 10.788 -31.194 1.00 0.00 C ATOM 0 H ALA A 73 11.105 8.601 -32.612 1.00 0.00 H new ATOM 0 HA ALA A 73 13.245 8.887 -32.121 1.00 0.00 H new ATOM 0 HB1 ALA A 73 14.071 10.837 -30.865 1.00 0.00 H new ATOM 0 HB2 ALA A 73 12.932 11.296 -32.153 1.00 0.00 H new ATOM 0 HB3 ALA A 73 12.395 11.275 -30.456 1.00 0.00 H new ATOM 1142 N TRP A 74 13.701 7.543 -30.118 1.00 0.00 N ATOM 1143 CA TRP A 74 13.984 6.679 -28.976 1.00 0.00 C ATOM 1144 C TRP A 74 15.133 7.267 -28.152 1.00 0.00 C ATOM 1145 O TRP A 74 15.513 6.743 -27.099 1.00 0.00 O ATOM 1146 CB TRP A 74 14.327 5.263 -29.466 1.00 0.00 C ATOM 1147 CG TRP A 74 14.207 4.204 -28.406 1.00 0.00 C ATOM 1148 CD1 TRP A 74 15.200 3.735 -27.598 1.00 0.00 C ATOM 1149 CD2 TRP A 74 13.023 3.479 -28.047 1.00 0.00 C ATOM 1150 NE1 TRP A 74 14.707 2.768 -26.759 1.00 0.00 N ATOM 1151 CE2 TRP A 74 13.375 2.592 -27.014 1.00 0.00 C ATOM 1152 CE3 TRP A 74 11.700 3.497 -28.498 1.00 0.00 C ATOM 1153 CZ2 TRP A 74 12.454 1.730 -26.424 1.00 0.00 C ATOM 1154 CZ3 TRP A 74 10.786 2.641 -27.913 1.00 0.00 C ATOM 1155 CH2 TRP A 74 11.166 1.769 -26.885 1.00 0.00 C ATOM 0 H TRP A 74 14.222 7.303 -30.962 1.00 0.00 H new ATOM 0 HA TRP A 74 13.102 6.617 -28.339 1.00 0.00 H new ATOM 0 HB2 TRP A 74 13.669 5.008 -30.297 1.00 0.00 H new ATOM 0 HB3 TRP A 74 15.346 5.261 -29.854 1.00 0.00 H new ATOM 0 HD1 TRP A 74 16.225 4.075 -27.616 1.00 0.00 H new ATOM 0 HE1 TRP A 74 15.247 2.262 -26.058 1.00 0.00 H new ATOM 0 HE3 TRP A 74 11.398 4.167 -29.289 1.00 0.00 H new ATOM 0 HZ2 TRP A 74 12.745 1.056 -25.632 1.00 0.00 H new ATOM 0 HZ3 TRP A 74 9.761 2.645 -28.254 1.00 0.00 H new ATOM 0 HH2 TRP A 74 10.427 1.114 -26.447 1.00 0.00 H new ATOM 1166 N GLY A 75 15.674 8.362 -28.643 1.00 0.00 N ATOM 1167 CA GLY A 75 16.795 8.987 -27.999 1.00 0.00 C ATOM 1168 C GLY A 75 16.594 10.471 -27.834 1.00 0.00 C ATOM 1169 O GLY A 75 16.069 11.138 -28.727 1.00 0.00 O ATOM 0 H GLY A 75 15.350 8.833 -29.488 1.00 0.00 H new ATOM 0 HA2 GLY A 75 16.952 8.531 -27.021 1.00 0.00 H new ATOM 0 HA3 GLY A 75 17.697 8.806 -28.584 1.00 0.00 H new ATOM 1173 N GLU A 76 17.006 10.993 -26.697 1.00 0.00 N ATOM 1174 CA GLU A 76 16.900 12.388 -26.431 1.00 0.00 C ATOM 1175 C GLU A 76 18.283 13.008 -26.479 1.00 0.00 C ATOM 1176 O GLU A 76 19.254 12.389 -26.047 1.00 0.00 O ATOM 1177 CB GLU A 76 16.239 12.640 -25.076 1.00 0.00 C ATOM 1178 CG GLU A 76 17.018 12.119 -23.882 1.00 0.00 C ATOM 1179 CD GLU A 76 16.361 12.476 -22.564 1.00 0.00 C ATOM 1180 OE1 GLU A 76 16.399 13.670 -22.180 1.00 0.00 O ATOM 1181 OE2 GLU A 76 15.810 11.571 -21.904 1.00 0.00 O ATOM 0 H GLU A 76 17.422 10.451 -25.940 1.00 0.00 H new ATOM 0 HA GLU A 76 16.270 12.850 -27.191 1.00 0.00 H new ATOM 0 HB2 GLU A 76 16.089 13.713 -24.954 1.00 0.00 H new ATOM 0 HB3 GLU A 76 15.252 12.178 -25.078 1.00 0.00 H new ATOM 0 HG2 GLU A 76 17.111 11.036 -23.957 1.00 0.00 H new ATOM 0 HG3 GLU A 76 18.028 12.528 -23.904 1.00 0.00 H new ATOM 1188 N CYS A 77 18.360 14.211 -27.034 1.00 0.00 N ATOM 1189 CA CYS A 77 19.617 14.947 -27.188 1.00 0.00 C ATOM 1190 C CYS A 77 20.392 14.438 -28.374 1.00 0.00 C ATOM 1191 O CYS A 77 21.019 13.381 -28.330 1.00 0.00 O ATOM 1192 CB CYS A 77 20.475 14.927 -25.906 1.00 0.00 C ATOM 1193 SG CYS A 77 21.975 15.968 -25.986 1.00 0.00 S ATOM 0 H CYS A 77 17.547 14.711 -27.394 1.00 0.00 H new ATOM 0 HA CYS A 77 19.357 15.990 -27.369 1.00 0.00 H new ATOM 0 HB2 CYS A 77 19.862 15.258 -25.068 1.00 0.00 H new ATOM 0 HB3 CYS A 77 20.771 13.899 -25.698 1.00 0.00 H new ATOM 1198 N ASP A 78 20.322 15.190 -29.440 1.00 0.00 N ATOM 1199 CA ASP A 78 21.031 14.865 -30.647 1.00 0.00 C ATOM 1200 C ASP A 78 22.437 15.376 -30.526 1.00 0.00 C ATOM 1201 O ASP A 78 22.681 16.578 -30.494 1.00 0.00 O ATOM 1202 CB ASP A 78 20.346 15.452 -31.873 1.00 0.00 C ATOM 1203 CG ASP A 78 19.011 14.804 -32.162 1.00 0.00 C ATOM 1204 OD1 ASP A 78 18.989 13.789 -32.889 1.00 0.00 O ATOM 1205 OD2 ASP A 78 17.970 15.304 -31.673 1.00 0.00 O ATOM 0 H ASP A 78 19.771 16.046 -29.495 1.00 0.00 H new ATOM 0 HA ASP A 78 21.039 13.783 -30.778 1.00 0.00 H new ATOM 0 HB2 ASP A 78 20.201 16.522 -31.726 1.00 0.00 H new ATOM 0 HB3 ASP A 78 20.997 15.335 -32.739 1.00 0.00 H new ATOM 1210 N LEU A 79 23.339 14.455 -30.445 1.00 0.00 N ATOM 1211 CA LEU A 79 24.735 14.762 -30.186 1.00 0.00 C ATOM 1212 C LEU A 79 25.379 15.579 -31.281 1.00 0.00 C ATOM 1213 O LEU A 79 26.259 16.394 -31.014 1.00 0.00 O ATOM 1214 CB LEU A 79 25.538 13.503 -29.960 1.00 0.00 C ATOM 1215 CG LEU A 79 25.747 12.565 -31.168 1.00 0.00 C ATOM 1216 CD1 LEU A 79 26.890 11.605 -30.894 1.00 0.00 C ATOM 1217 CD2 LEU A 79 24.481 11.780 -31.486 1.00 0.00 C ATOM 0 H LEU A 79 23.143 13.460 -30.555 1.00 0.00 H new ATOM 0 HA LEU A 79 24.739 15.368 -29.280 1.00 0.00 H new ATOM 0 HB2 LEU A 79 26.520 13.793 -29.585 1.00 0.00 H new ATOM 0 HB3 LEU A 79 25.051 12.931 -29.170 1.00 0.00 H new ATOM 0 HG LEU A 79 25.991 13.184 -32.032 1.00 0.00 H new ATOM 0 HD11 LEU A 79 27.028 10.949 -31.753 1.00 0.00 H new ATOM 0 HD12 LEU A 79 27.806 12.170 -30.719 1.00 0.00 H new ATOM 0 HD13 LEU A 79 26.659 11.006 -30.013 1.00 0.00 H new ATOM 0 HD21 LEU A 79 24.662 11.129 -32.341 1.00 0.00 H new ATOM 0 HD22 LEU A 79 24.201 11.176 -30.623 1.00 0.00 H new ATOM 0 HD23 LEU A 79 23.673 12.473 -31.721 1.00 0.00 H new ATOM 1229 N ASN A 80 24.944 15.384 -32.493 1.00 0.00 N ATOM 1230 CA ASN A 80 25.500 16.127 -33.595 1.00 0.00 C ATOM 1231 C ASN A 80 25.001 17.554 -33.607 1.00 0.00 C ATOM 1232 O ASN A 80 25.696 18.462 -34.066 1.00 0.00 O ATOM 1233 CB ASN A 80 25.183 15.429 -34.924 1.00 0.00 C ATOM 1234 CG ASN A 80 25.676 16.201 -36.134 1.00 0.00 C ATOM 1235 OD1 ASN A 80 26.841 16.104 -36.517 1.00 0.00 O ATOM 1236 ND2 ASN A 80 24.782 16.940 -36.767 1.00 0.00 N ATOM 0 H ASN A 80 24.211 14.722 -32.746 1.00 0.00 H new ATOM 0 HA ASN A 80 26.582 16.158 -33.467 1.00 0.00 H new ATOM 0 HB2 ASN A 80 25.636 14.437 -34.924 1.00 0.00 H new ATOM 0 HB3 ASN A 80 24.105 15.287 -35.005 1.00 0.00 H new ATOM 0 HD21 ASN A 80 25.049 17.456 -37.605 1.00 0.00 H new ATOM 0 HD22 ASN A 80 23.825 16.994 -36.417 1.00 0.00 H new ATOM 1243 N THR A 81 23.812 17.774 -33.094 1.00 0.00 N ATOM 1244 CA THR A 81 23.221 19.113 -33.162 1.00 0.00 C ATOM 1245 C THR A 81 23.259 19.833 -31.823 1.00 0.00 C ATOM 1246 O THR A 81 22.983 21.029 -31.747 1.00 0.00 O ATOM 1247 CB THR A 81 21.761 19.044 -33.652 1.00 0.00 C ATOM 1248 OG1 THR A 81 20.983 18.283 -32.724 1.00 0.00 O ATOM 1249 CG2 THR A 81 21.689 18.389 -35.023 1.00 0.00 C ATOM 0 H THR A 81 23.237 17.069 -32.633 1.00 0.00 H new ATOM 0 HA THR A 81 23.825 19.678 -33.872 1.00 0.00 H new ATOM 0 HB THR A 81 21.368 20.058 -33.724 1.00 0.00 H new ATOM 0 HG1 THR A 81 20.054 18.240 -33.034 1.00 0.00 H new ATOM 0 HG21 THR A 81 20.651 18.349 -35.353 1.00 0.00 H new ATOM 0 HG22 THR A 81 22.274 18.971 -35.735 1.00 0.00 H new ATOM 0 HG23 THR A 81 22.090 17.377 -34.964 1.00 0.00 H new ATOM 1257 N ALA A 82 23.642 19.102 -30.785 1.00 0.00 N ATOM 1258 CA ALA A 82 23.641 19.594 -29.408 1.00 0.00 C ATOM 1259 C ALA A 82 22.235 20.042 -28.996 1.00 0.00 C ATOM 1260 O ALA A 82 22.063 20.865 -28.108 1.00 0.00 O ATOM 1261 CB ALA A 82 24.654 20.722 -29.231 1.00 0.00 C ATOM 0 H ALA A 82 23.966 18.139 -30.873 1.00 0.00 H new ATOM 0 HA ALA A 82 23.939 18.776 -28.752 1.00 0.00 H new ATOM 0 HB1 ALA A 82 24.634 21.070 -28.198 1.00 0.00 H new ATOM 0 HB2 ALA A 82 25.652 20.356 -29.471 1.00 0.00 H new ATOM 0 HB3 ALA A 82 24.400 21.547 -29.897 1.00 0.00 H new ATOM 1267 N LEU A 83 21.247 19.469 -29.657 1.00 0.00 N ATOM 1268 CA LEU A 83 19.843 19.810 -29.423 1.00 0.00 C ATOM 1269 C LEU A 83 19.013 18.567 -29.178 1.00 0.00 C ATOM 1270 O LEU A 83 19.313 17.526 -29.698 1.00 0.00 O ATOM 1271 CB LEU A 83 19.288 20.581 -30.614 1.00 0.00 C ATOM 1272 CG LEU A 83 20.128 21.769 -31.077 1.00 0.00 C ATOM 1273 CD1 LEU A 83 19.504 22.406 -32.297 1.00 0.00 C ATOM 1274 CD2 LEU A 83 20.275 22.799 -29.968 1.00 0.00 C ATOM 0 H LEU A 83 21.387 18.755 -30.371 1.00 0.00 H new ATOM 0 HA LEU A 83 19.789 20.436 -28.532 1.00 0.00 H new ATOM 0 HB2 LEU A 83 19.174 19.891 -31.450 1.00 0.00 H new ATOM 0 HB3 LEU A 83 18.291 20.941 -30.359 1.00 0.00 H new ATOM 0 HG LEU A 83 21.121 21.401 -31.335 1.00 0.00 H new ATOM 0 HD11 LEU A 83 20.112 23.252 -32.617 1.00 0.00 H new ATOM 0 HD12 LEU A 83 19.449 21.673 -33.102 1.00 0.00 H new ATOM 0 HD13 LEU A 83 18.500 22.753 -32.053 1.00 0.00 H new ATOM 0 HD21 LEU A 83 20.878 23.634 -30.325 1.00 0.00 H new ATOM 0 HD22 LEU A 83 19.290 23.161 -29.675 1.00 0.00 H new ATOM 0 HD23 LEU A 83 20.763 22.341 -29.108 1.00 0.00 H new ATOM 1286 N LYS A 84 17.968 18.686 -28.389 1.00 0.00 N ATOM 1287 CA LYS A 84 17.080 17.558 -28.146 1.00 0.00 C ATOM 1288 C LYS A 84 15.674 17.904 -28.557 1.00 0.00 C ATOM 1289 O LYS A 84 15.170 18.982 -28.240 1.00 0.00 O ATOM 1290 CB LYS A 84 17.119 17.115 -26.668 1.00 0.00 C ATOM 1291 CG LYS A 84 17.320 18.244 -25.688 1.00 0.00 C ATOM 1292 CD LYS A 84 17.625 17.740 -24.275 1.00 0.00 C ATOM 1293 CE LYS A 84 16.570 16.763 -23.768 1.00 0.00 C ATOM 1294 NZ LYS A 84 16.841 16.329 -22.371 1.00 0.00 N ATOM 0 H LYS A 84 17.709 19.545 -27.905 1.00 0.00 H new ATOM 0 HA LYS A 84 17.429 16.721 -28.750 1.00 0.00 H new ATOM 0 HB2 LYS A 84 16.187 16.604 -26.429 1.00 0.00 H new ATOM 0 HB3 LYS A 84 17.922 16.390 -26.539 1.00 0.00 H new ATOM 0 HG2 LYS A 84 18.139 18.877 -26.030 1.00 0.00 H new ATOM 0 HG3 LYS A 84 16.425 18.865 -25.664 1.00 0.00 H new ATOM 0 HD2 LYS A 84 18.600 17.254 -24.268 1.00 0.00 H new ATOM 0 HD3 LYS A 84 17.687 18.589 -23.594 1.00 0.00 H new ATOM 0 HE2 LYS A 84 15.587 17.232 -23.818 1.00 0.00 H new ATOM 0 HE3 LYS A 84 16.541 15.890 -24.420 1.00 0.00 H new ATOM 0 HZ1 LYS A 84 16.461 15.372 -22.225 1.00 0.00 H new ATOM 0 HZ2 LYS A 84 17.867 16.323 -22.202 1.00 0.00 H new ATOM 0 HZ3 LYS A 84 16.385 16.988 -21.708 1.00 0.00 H new ATOM 1308 N THR A 85 15.032 16.986 -29.242 1.00 0.00 N ATOM 1309 CA THR A 85 13.696 17.206 -29.737 1.00 0.00 C ATOM 1310 C THR A 85 12.870 15.951 -29.520 1.00 0.00 C ATOM 1311 O THR A 85 13.355 14.841 -29.728 1.00 0.00 O ATOM 1312 CB THR A 85 13.718 17.517 -31.241 1.00 0.00 C ATOM 1313 OG1 THR A 85 14.824 18.387 -31.549 1.00 0.00 O ATOM 1314 CG2 THR A 85 12.419 18.179 -31.677 1.00 0.00 C ATOM 0 H THR A 85 15.420 16.071 -29.470 1.00 0.00 H new ATOM 0 HA THR A 85 13.264 18.051 -29.201 1.00 0.00 H new ATOM 0 HB THR A 85 13.831 16.576 -31.780 1.00 0.00 H new ATOM 0 HG1 THR A 85 14.831 18.579 -32.510 1.00 0.00 H new ATOM 0 HG21 THR A 85 12.459 18.389 -32.746 1.00 0.00 H new ATOM 0 HG22 THR A 85 11.583 17.511 -31.469 1.00 0.00 H new ATOM 0 HG23 THR A 85 12.284 19.111 -31.128 1.00 0.00 H new ATOM 1322 N ARG A 86 11.639 16.120 -29.096 1.00 0.00 N ATOM 1323 CA ARG A 86 10.749 14.995 -28.862 1.00 0.00 C ATOM 1324 C ARG A 86 9.343 15.332 -29.332 1.00 0.00 C ATOM 1325 O ARG A 86 8.851 16.441 -29.109 1.00 0.00 O ATOM 1326 CB ARG A 86 10.727 14.594 -27.377 1.00 0.00 C ATOM 1327 CG ARG A 86 12.058 14.070 -26.848 1.00 0.00 C ATOM 1328 CD ARG A 86 11.935 13.570 -25.415 1.00 0.00 C ATOM 1329 NE ARG A 86 11.065 12.392 -25.314 1.00 0.00 N ATOM 1330 CZ ARG A 86 10.533 11.940 -24.170 1.00 0.00 C ATOM 1331 NH1 ARG A 86 10.778 12.571 -23.024 1.00 0.00 N ATOM 1332 NH2 ARG A 86 9.760 10.856 -24.178 1.00 0.00 N ATOM 0 H ARG A 86 11.224 17.032 -28.903 1.00 0.00 H new ATOM 0 HA ARG A 86 11.126 14.147 -29.433 1.00 0.00 H new ATOM 0 HB2 ARG A 86 10.429 15.458 -26.784 1.00 0.00 H new ATOM 0 HB3 ARG A 86 9.965 13.829 -27.231 1.00 0.00 H new ATOM 0 HG2 ARG A 86 12.411 13.261 -27.487 1.00 0.00 H new ATOM 0 HG3 ARG A 86 12.806 14.862 -26.895 1.00 0.00 H new ATOM 0 HD2 ARG A 86 12.925 13.323 -25.031 1.00 0.00 H new ATOM 0 HD3 ARG A 86 11.539 14.367 -24.786 1.00 0.00 H new ATOM 0 HE ARG A 86 10.851 11.883 -26.172 1.00 0.00 H new ATOM 0 HH11 ARG A 86 11.372 13.400 -23.015 1.00 0.00 H new ATOM 0 HH12 ARG A 86 10.372 12.225 -22.155 1.00 0.00 H new ATOM 0 HH21 ARG A 86 9.573 10.370 -25.055 1.00 0.00 H new ATOM 0 HH22 ARG A 86 9.355 10.512 -23.307 1.00 0.00 H new ATOM 1346 N THR A 87 8.720 14.395 -30.003 1.00 0.00 N ATOM 1347 CA THR A 87 7.361 14.576 -30.472 1.00 0.00 C ATOM 1348 C THR A 87 6.511 13.393 -30.042 1.00 0.00 C ATOM 1349 O THR A 87 6.923 12.251 -30.191 1.00 0.00 O ATOM 1350 CB THR A 87 7.321 14.706 -32.007 1.00 0.00 C ATOM 1351 OG1 THR A 87 8.264 15.701 -32.429 1.00 0.00 O ATOM 1352 CG2 THR A 87 5.928 15.095 -32.486 1.00 0.00 C ATOM 0 H THR A 87 9.132 13.492 -30.240 1.00 0.00 H new ATOM 0 HA THR A 87 6.966 15.494 -30.036 1.00 0.00 H new ATOM 0 HB THR A 87 7.579 13.740 -32.440 1.00 0.00 H new ATOM 0 HG1 THR A 87 8.239 15.782 -33.405 1.00 0.00 H new ATOM 0 HG21 THR A 87 5.927 15.180 -33.573 1.00 0.00 H new ATOM 0 HG22 THR A 87 5.212 14.332 -32.181 1.00 0.00 H new ATOM 0 HG23 THR A 87 5.646 16.052 -32.047 1.00 0.00 H new ATOM 1360 N GLY A 88 5.333 13.662 -29.523 1.00 0.00 N ATOM 1361 CA GLY A 88 4.468 12.596 -29.081 1.00 0.00 C ATOM 1362 C GLY A 88 3.055 12.811 -29.518 1.00 0.00 C ATOM 1363 O GLY A 88 2.630 13.949 -29.710 1.00 0.00 O ATOM 0 H GLY A 88 4.957 14.602 -29.398 1.00 0.00 H new ATOM 0 HA2 GLY A 88 4.830 11.647 -29.476 1.00 0.00 H new ATOM 0 HA3 GLY A 88 4.505 12.524 -27.994 1.00 0.00 H new ATOM 1367 N SER A 89 2.324 11.735 -29.686 1.00 0.00 N ATOM 1368 CA SER A 89 0.957 11.831 -30.130 1.00 0.00 C ATOM 1369 C SER A 89 0.061 10.832 -29.426 1.00 0.00 C ATOM 1370 O SER A 89 0.488 9.723 -29.072 1.00 0.00 O ATOM 1371 CB SER A 89 0.884 11.644 -31.652 1.00 0.00 C ATOM 1372 OG SER A 89 1.592 10.477 -32.064 1.00 0.00 O ATOM 0 H SER A 89 2.654 10.784 -29.522 1.00 0.00 H new ATOM 0 HA SER A 89 0.593 12.826 -29.873 1.00 0.00 H new ATOM 0 HB2 SER A 89 -0.158 11.568 -31.962 1.00 0.00 H new ATOM 0 HB3 SER A 89 1.301 12.520 -32.149 1.00 0.00 H new ATOM 0 HG SER A 89 1.527 10.382 -33.037 1.00 0.00 H new ATOM 1378 N LEU A 90 -1.176 11.239 -29.207 1.00 0.00 N ATOM 1379 CA LEU A 90 -2.168 10.414 -28.611 1.00 0.00 C ATOM 1380 C LEU A 90 -2.899 9.693 -29.742 1.00 0.00 C ATOM 1381 O LEU A 90 -3.453 10.331 -30.642 1.00 0.00 O ATOM 1382 CB LEU A 90 -3.069 11.357 -27.781 1.00 0.00 C ATOM 1383 CG LEU A 90 -4.343 10.850 -27.147 1.00 0.00 C ATOM 1384 CD1 LEU A 90 -5.391 10.673 -28.177 1.00 0.00 C ATOM 1385 CD2 LEU A 90 -4.107 9.585 -26.353 1.00 0.00 C ATOM 0 H LEU A 90 -1.509 12.172 -29.449 1.00 0.00 H new ATOM 0 HA LEU A 90 -1.779 9.645 -27.944 1.00 0.00 H new ATOM 0 HB2 LEU A 90 -2.453 11.765 -26.980 1.00 0.00 H new ATOM 0 HB3 LEU A 90 -3.343 12.190 -28.428 1.00 0.00 H new ATOM 0 HG LEU A 90 -4.694 11.598 -26.436 1.00 0.00 H new ATOM 0 HD11 LEU A 90 -6.304 10.307 -27.708 1.00 0.00 H new ATOM 0 HD12 LEU A 90 -5.590 11.629 -28.662 1.00 0.00 H new ATOM 0 HD13 LEU A 90 -5.052 9.952 -28.921 1.00 0.00 H new ATOM 0 HD21 LEU A 90 -5.047 9.251 -25.912 1.00 0.00 H new ATOM 0 HD22 LEU A 90 -3.719 8.808 -27.012 1.00 0.00 H new ATOM 0 HD23 LEU A 90 -3.385 9.782 -25.561 1.00 0.00 H new ATOM 1397 N LYS A 91 -2.878 8.369 -29.712 1.00 0.00 N ATOM 1398 CA LYS A 91 -3.445 7.579 -30.801 1.00 0.00 C ATOM 1399 C LYS A 91 -4.860 7.105 -30.506 1.00 0.00 C ATOM 1400 O LYS A 91 -5.563 6.632 -31.403 1.00 0.00 O ATOM 1401 CB LYS A 91 -2.532 6.398 -31.147 1.00 0.00 C ATOM 1402 CG LYS A 91 -1.297 6.798 -31.949 1.00 0.00 C ATOM 1403 CD LYS A 91 -0.395 5.604 -32.228 1.00 0.00 C ATOM 1404 CE LYS A 91 0.607 5.907 -33.338 1.00 0.00 C ATOM 1405 NZ LYS A 91 1.439 7.104 -33.048 1.00 0.00 N ATOM 0 H LYS A 91 -2.478 7.819 -28.952 1.00 0.00 H new ATOM 0 HA LYS A 91 -3.511 8.236 -31.668 1.00 0.00 H new ATOM 0 HB2 LYS A 91 -2.215 5.912 -30.224 1.00 0.00 H new ATOM 0 HB3 LYS A 91 -3.102 5.663 -31.715 1.00 0.00 H new ATOM 0 HG2 LYS A 91 -1.606 7.249 -32.892 1.00 0.00 H new ATOM 0 HG3 LYS A 91 -0.738 7.556 -31.401 1.00 0.00 H new ATOM 0 HD2 LYS A 91 0.140 5.330 -31.318 1.00 0.00 H new ATOM 0 HD3 LYS A 91 -1.004 4.745 -32.510 1.00 0.00 H new ATOM 0 HE2 LYS A 91 1.257 5.044 -33.481 1.00 0.00 H new ATOM 0 HE3 LYS A 91 0.071 6.061 -34.274 1.00 0.00 H new ATOM 0 HZ1 LYS A 91 1.608 7.631 -33.929 1.00 0.00 H new ATOM 0 HZ2 LYS A 91 0.943 7.715 -32.368 1.00 0.00 H new ATOM 0 HZ3 LYS A 91 2.349 6.804 -32.644 1.00 0.00 H new ATOM 1419 N ARG A 92 -5.283 7.234 -29.263 1.00 0.00 N ATOM 1420 CA ARG A 92 -6.628 6.853 -28.880 1.00 0.00 C ATOM 1421 C ARG A 92 -7.006 7.496 -27.568 1.00 0.00 C ATOM 1422 O ARG A 92 -6.237 7.458 -26.608 1.00 0.00 O ATOM 1423 CB ARG A 92 -6.762 5.343 -28.766 1.00 0.00 C ATOM 1424 CG ARG A 92 -8.182 4.900 -28.494 1.00 0.00 C ATOM 1425 CD ARG A 92 -8.301 3.403 -28.486 1.00 0.00 C ATOM 1426 NE ARG A 92 -7.893 2.812 -29.767 1.00 0.00 N ATOM 1427 CZ ARG A 92 -8.594 1.895 -30.440 1.00 0.00 C ATOM 1428 NH1 ARG A 92 -9.787 1.507 -30.004 1.00 0.00 N ATOM 1429 NH2 ARG A 92 -8.110 1.394 -31.573 1.00 0.00 N ATOM 0 H ARG A 92 -4.713 7.600 -28.500 1.00 0.00 H new ATOM 0 HA ARG A 92 -7.304 7.202 -29.660 1.00 0.00 H new ATOM 0 HB2 ARG A 92 -6.413 4.881 -29.689 1.00 0.00 H new ATOM 0 HB3 ARG A 92 -6.115 4.985 -27.966 1.00 0.00 H new ATOM 0 HG2 ARG A 92 -8.510 5.297 -27.533 1.00 0.00 H new ATOM 0 HG3 ARG A 92 -8.845 5.314 -29.253 1.00 0.00 H new ATOM 0 HD2 ARG A 92 -7.684 2.995 -27.685 1.00 0.00 H new ATOM 0 HD3 ARG A 92 -9.332 3.122 -28.269 1.00 0.00 H new ATOM 0 HE ARG A 92 -7.011 3.124 -30.172 1.00 0.00 H new ATOM 0 HH11 ARG A 92 -10.174 1.910 -29.150 1.00 0.00 H new ATOM 0 HH12 ARG A 92 -10.317 0.807 -30.523 1.00 0.00 H new ATOM 0 HH21 ARG A 92 -7.206 1.710 -31.925 1.00 0.00 H new ATOM 0 HH22 ARG A 92 -8.642 0.694 -32.089 1.00 0.00 H new ATOM 1443 N ALA A 93 -8.189 8.057 -27.515 1.00 0.00 N ATOM 1444 CA ALA A 93 -8.668 8.701 -26.318 1.00 0.00 C ATOM 1445 C ALA A 93 -9.839 7.927 -25.766 1.00 0.00 C ATOM 1446 O ALA A 93 -10.598 7.319 -26.522 1.00 0.00 O ATOM 1447 CB ALA A 93 -9.068 10.142 -26.609 1.00 0.00 C ATOM 0 H ALA A 93 -8.844 8.080 -28.297 1.00 0.00 H new ATOM 0 HA ALA A 93 -7.869 8.717 -25.577 1.00 0.00 H new ATOM 0 HB1 ALA A 93 -9.427 10.612 -25.693 1.00 0.00 H new ATOM 0 HB2 ALA A 93 -8.204 10.691 -26.984 1.00 0.00 H new ATOM 0 HB3 ALA A 93 -9.859 10.156 -27.358 1.00 0.00 H new ATOM 1453 N LEU A 94 -9.990 7.943 -24.466 1.00 0.00 N ATOM 1454 CA LEU A 94 -11.066 7.216 -23.829 1.00 0.00 C ATOM 1455 C LEU A 94 -12.325 8.062 -23.805 1.00 0.00 C ATOM 1456 O LEU A 94 -12.294 9.244 -24.153 1.00 0.00 O ATOM 1457 CB LEU A 94 -10.676 6.792 -22.402 1.00 0.00 C ATOM 1458 CG LEU A 94 -9.747 5.569 -22.276 1.00 0.00 C ATOM 1459 CD1 LEU A 94 -8.413 5.801 -22.972 1.00 0.00 C ATOM 1460 CD2 LEU A 94 -9.528 5.226 -20.814 1.00 0.00 C ATOM 0 H LEU A 94 -9.382 8.452 -23.824 1.00 0.00 H new ATOM 0 HA LEU A 94 -11.259 6.313 -24.408 1.00 0.00 H new ATOM 0 HB2 LEU A 94 -10.193 7.639 -21.915 1.00 0.00 H new ATOM 0 HB3 LEU A 94 -11.590 6.584 -21.846 1.00 0.00 H new ATOM 0 HG LEU A 94 -10.234 4.729 -22.771 1.00 0.00 H new ATOM 0 HD11 LEU A 94 -7.786 4.916 -22.861 1.00 0.00 H new ATOM 0 HD12 LEU A 94 -8.584 5.994 -24.031 1.00 0.00 H new ATOM 0 HD13 LEU A 94 -7.913 6.659 -22.523 1.00 0.00 H new ATOM 0 HD21 LEU A 94 -8.870 4.360 -20.738 1.00 0.00 H new ATOM 0 HD22 LEU A 94 -9.071 6.075 -20.306 1.00 0.00 H new ATOM 0 HD23 LEU A 94 -10.486 4.996 -20.347 1.00 0.00 H new ATOM 1472 N HIS A 95 -13.427 7.467 -23.399 1.00 0.00 N ATOM 1473 CA HIS A 95 -14.692 8.186 -23.340 1.00 0.00 C ATOM 1474 C HIS A 95 -14.745 9.064 -22.101 1.00 0.00 C ATOM 1475 O HIS A 95 -15.535 9.999 -22.020 1.00 0.00 O ATOM 1476 CB HIS A 95 -15.882 7.216 -23.366 1.00 0.00 C ATOM 1477 CG HIS A 95 -16.004 6.442 -24.648 1.00 0.00 C ATOM 1478 ND1 HIS A 95 -16.405 7.012 -25.834 1.00 0.00 N ATOM 1479 CD2 HIS A 95 -15.768 5.139 -24.926 1.00 0.00 C ATOM 1480 CE1 HIS A 95 -16.412 6.096 -26.783 1.00 0.00 C ATOM 1481 NE2 HIS A 95 -16.028 4.952 -26.259 1.00 0.00 N ATOM 0 H HIS A 95 -13.478 6.492 -23.105 1.00 0.00 H new ATOM 0 HA HIS A 95 -14.760 8.823 -24.222 1.00 0.00 H new ATOM 0 HB2 HIS A 95 -15.786 6.515 -22.537 1.00 0.00 H new ATOM 0 HB3 HIS A 95 -16.801 7.779 -23.203 1.00 0.00 H new ATOM 0 HD2 HIS A 95 -15.436 4.386 -24.227 1.00 0.00 H new ATOM 0 HE1 HIS A 95 -16.686 6.258 -27.815 1.00 0.00 H new ATOM 0 HE2 HIS A 95 -15.938 4.070 -26.763 1.00 0.00 H new ATOM 1490 N ASN A 96 -13.885 8.760 -21.146 1.00 0.00 N ATOM 1491 CA ASN A 96 -13.808 9.520 -19.910 1.00 0.00 C ATOM 1492 C ASN A 96 -12.404 10.128 -19.762 1.00 0.00 C ATOM 1493 O ASN A 96 -11.856 10.227 -18.668 1.00 0.00 O ATOM 1494 CB ASN A 96 -14.160 8.606 -18.716 1.00 0.00 C ATOM 1495 CG ASN A 96 -14.419 9.363 -17.418 1.00 0.00 C ATOM 1496 OD1 ASN A 96 -15.518 9.878 -17.195 1.00 0.00 O ATOM 1497 ND2 ASN A 96 -13.429 9.406 -16.546 1.00 0.00 N ATOM 0 H ASN A 96 -13.224 7.985 -21.203 1.00 0.00 H new ATOM 0 HA ASN A 96 -14.528 10.338 -19.931 1.00 0.00 H new ATOM 0 HB2 ASN A 96 -15.044 8.020 -18.967 1.00 0.00 H new ATOM 0 HB3 ASN A 96 -13.345 7.900 -18.558 1.00 0.00 H new ATOM 0 HD21 ASN A 96 -13.558 9.877 -15.651 1.00 0.00 H new ATOM 0 HD22 ASN A 96 -12.535 8.968 -16.768 1.00 0.00 H new ATOM 1504 N ALA A 97 -11.847 10.560 -20.883 1.00 0.00 N ATOM 1505 CA ALA A 97 -10.506 11.144 -20.903 1.00 0.00 C ATOM 1506 C ALA A 97 -10.307 12.034 -22.124 1.00 0.00 C ATOM 1507 O ALA A 97 -10.491 11.595 -23.259 1.00 0.00 O ATOM 1508 CB ALA A 97 -9.444 10.053 -20.872 1.00 0.00 C ATOM 0 H ALA A 97 -12.301 10.519 -21.796 1.00 0.00 H new ATOM 0 HA ALA A 97 -10.403 11.762 -20.011 1.00 0.00 H new ATOM 0 HB1 ALA A 97 -8.454 10.509 -20.888 1.00 0.00 H new ATOM 0 HB2 ALA A 97 -9.557 9.461 -19.964 1.00 0.00 H new ATOM 0 HB3 ALA A 97 -9.560 9.407 -21.743 1.00 0.00 H new ATOM 1514 N GLU A 98 -9.936 13.280 -21.887 1.00 0.00 N ATOM 1515 CA GLU A 98 -9.700 14.230 -22.966 1.00 0.00 C ATOM 1516 C GLU A 98 -8.219 14.571 -23.067 1.00 0.00 C ATOM 1517 O GLU A 98 -7.616 15.050 -22.105 1.00 0.00 O ATOM 1518 CB GLU A 98 -10.509 15.503 -22.746 1.00 0.00 C ATOM 1519 CG GLU A 98 -12.009 15.287 -22.742 1.00 0.00 C ATOM 1520 CD GLU A 98 -12.766 16.555 -22.451 1.00 0.00 C ATOM 1521 OE1 GLU A 98 -12.912 17.393 -23.369 1.00 0.00 O ATOM 1522 OE2 GLU A 98 -13.222 16.730 -21.302 1.00 0.00 O ATOM 0 H GLU A 98 -9.790 13.661 -20.952 1.00 0.00 H new ATOM 0 HA GLU A 98 -10.019 13.766 -23.899 1.00 0.00 H new ATOM 0 HB2 GLU A 98 -10.214 15.949 -21.796 1.00 0.00 H new ATOM 0 HB3 GLU A 98 -10.258 16.221 -23.527 1.00 0.00 H new ATOM 0 HG2 GLU A 98 -12.320 14.894 -23.710 1.00 0.00 H new ATOM 0 HG3 GLU A 98 -12.264 14.534 -21.996 1.00 0.00 H new ATOM 1529 N CYS A 99 -7.651 14.341 -24.238 1.00 0.00 N ATOM 1530 CA CYS A 99 -6.240 14.592 -24.450 1.00 0.00 C ATOM 1531 C CYS A 99 -5.949 15.075 -25.861 1.00 0.00 C ATOM 1532 O CYS A 99 -6.651 14.722 -26.816 1.00 0.00 O ATOM 1533 CB CYS A 99 -5.421 13.348 -24.113 1.00 0.00 C ATOM 1534 SG CYS A 99 -5.529 12.854 -22.356 1.00 0.00 S ATOM 0 H CYS A 99 -8.146 13.981 -25.054 1.00 0.00 H new ATOM 0 HA CYS A 99 -5.945 15.396 -23.776 1.00 0.00 H new ATOM 0 HB2 CYS A 99 -5.760 12.520 -24.736 1.00 0.00 H new ATOM 0 HB3 CYS A 99 -4.377 13.531 -24.367 1.00 0.00 H new ATOM 1539 N GLN A 100 -4.925 15.909 -25.968 1.00 0.00 N ATOM 1540 CA GLN A 100 -4.476 16.455 -27.240 1.00 0.00 C ATOM 1541 C GLN A 100 -3.857 15.376 -28.116 1.00 0.00 C ATOM 1542 O GLN A 100 -3.321 14.393 -27.622 1.00 0.00 O ATOM 1543 CB GLN A 100 -3.499 17.632 -27.045 1.00 0.00 C ATOM 1544 CG GLN A 100 -2.422 17.416 -25.986 1.00 0.00 C ATOM 1545 CD GLN A 100 -2.898 17.764 -24.582 1.00 0.00 C ATOM 1546 OE1 GLN A 100 -3.422 16.917 -23.858 1.00 0.00 O ATOM 1547 NE2 GLN A 100 -2.733 19.011 -24.199 1.00 0.00 N ATOM 0 H GLN A 100 -4.378 16.228 -25.168 1.00 0.00 H new ATOM 0 HA GLN A 100 -5.357 16.842 -27.752 1.00 0.00 H new ATOM 0 HB2 GLN A 100 -3.012 17.840 -27.998 1.00 0.00 H new ATOM 0 HB3 GLN A 100 -4.073 18.520 -26.780 1.00 0.00 H new ATOM 0 HG2 GLN A 100 -2.100 16.375 -26.008 1.00 0.00 H new ATOM 0 HG3 GLN A 100 -1.551 18.024 -26.231 1.00 0.00 H new ATOM 0 HE21 GLN A 100 -2.294 19.684 -24.828 1.00 0.00 H new ATOM 0 HE22 GLN A 100 -3.044 19.306 -23.273 1.00 0.00 H new ATOM 1556 N LYS A 101 -3.934 15.582 -29.418 1.00 0.00 N ATOM 1557 CA LYS A 101 -3.493 14.614 -30.383 1.00 0.00 C ATOM 1558 C LYS A 101 -1.985 14.553 -30.435 1.00 0.00 C ATOM 1559 O LYS A 101 -1.422 13.493 -30.627 1.00 0.00 O ATOM 1560 CB LYS A 101 -4.048 14.961 -31.768 1.00 0.00 C ATOM 1561 CG LYS A 101 -3.566 14.043 -32.885 1.00 0.00 C ATOM 1562 CD LYS A 101 -4.044 14.522 -34.248 1.00 0.00 C ATOM 1563 CE LYS A 101 -3.396 15.847 -34.637 1.00 0.00 C ATOM 1564 NZ LYS A 101 -3.909 16.361 -35.929 1.00 0.00 N ATOM 0 H LYS A 101 -4.309 16.436 -29.831 1.00 0.00 H new ATOM 0 HA LYS A 101 -3.867 13.636 -30.080 1.00 0.00 H new ATOM 0 HB2 LYS A 101 -5.137 14.926 -31.729 1.00 0.00 H new ATOM 0 HB3 LYS A 101 -3.770 15.987 -32.011 1.00 0.00 H new ATOM 0 HG2 LYS A 101 -2.477 13.998 -32.876 1.00 0.00 H new ATOM 0 HG3 LYS A 101 -3.928 13.031 -32.707 1.00 0.00 H new ATOM 0 HD2 LYS A 101 -3.813 13.768 -35.001 1.00 0.00 H new ATOM 0 HD3 LYS A 101 -5.128 14.637 -34.234 1.00 0.00 H new ATOM 0 HE2 LYS A 101 -3.581 16.584 -33.855 1.00 0.00 H new ATOM 0 HE3 LYS A 101 -2.316 15.716 -34.703 1.00 0.00 H new ATOM 0 HZ1 LYS A 101 -3.442 17.262 -36.154 1.00 0.00 H new ATOM 0 HZ2 LYS A 101 -3.710 15.671 -36.681 1.00 0.00 H new ATOM 0 HZ3 LYS A 101 -4.936 16.511 -35.860 1.00 0.00 H new ATOM 1578 N THR A 102 -1.322 15.684 -30.268 1.00 0.00 N ATOM 1579 CA THR A 102 0.119 15.658 -30.303 1.00 0.00 C ATOM 1580 C THR A 102 0.765 16.822 -29.560 1.00 0.00 C ATOM 1581 O THR A 102 0.218 17.922 -29.469 1.00 0.00 O ATOM 1582 CB THR A 102 0.641 15.601 -31.769 1.00 0.00 C ATOM 1583 OG1 THR A 102 2.077 15.570 -31.803 1.00 0.00 O ATOM 1584 CG2 THR A 102 0.129 16.783 -32.585 1.00 0.00 C ATOM 0 H THR A 102 -1.745 16.599 -30.112 1.00 0.00 H new ATOM 0 HA THR A 102 0.413 14.749 -29.778 1.00 0.00 H new ATOM 0 HB THR A 102 0.259 14.682 -32.214 1.00 0.00 H new ATOM 0 HG1 THR A 102 2.407 14.941 -31.127 1.00 0.00 H new ATOM 0 HG21 THR A 102 0.511 16.715 -33.604 1.00 0.00 H new ATOM 0 HG22 THR A 102 -0.961 16.767 -32.604 1.00 0.00 H new ATOM 0 HG23 THR A 102 0.470 17.713 -32.131 1.00 0.00 H new ATOM 1592 N VAL A 103 1.933 16.528 -29.023 1.00 0.00 N ATOM 1593 CA VAL A 103 2.770 17.503 -28.343 1.00 0.00 C ATOM 1594 C VAL A 103 4.195 17.425 -28.837 1.00 0.00 C ATOM 1595 O VAL A 103 4.728 16.343 -29.098 1.00 0.00 O ATOM 1596 CB VAL A 103 2.745 17.327 -26.799 1.00 0.00 C ATOM 1597 CG1 VAL A 103 1.367 17.642 -26.233 1.00 0.00 C ATOM 1598 CG2 VAL A 103 3.164 15.917 -26.409 1.00 0.00 C ATOM 0 H VAL A 103 2.335 15.591 -29.046 1.00 0.00 H new ATOM 0 HA VAL A 103 2.357 18.484 -28.576 1.00 0.00 H new ATOM 0 HB VAL A 103 3.459 18.033 -26.374 1.00 0.00 H new ATOM 0 HG11 VAL A 103 1.379 17.510 -25.151 1.00 0.00 H new ATOM 0 HG12 VAL A 103 1.103 18.673 -26.470 1.00 0.00 H new ATOM 0 HG13 VAL A 103 0.631 16.969 -26.672 1.00 0.00 H new ATOM 0 HG21 VAL A 103 3.139 15.817 -25.324 1.00 0.00 H new ATOM 0 HG22 VAL A 103 2.478 15.197 -26.856 1.00 0.00 H new ATOM 0 HG23 VAL A 103 4.175 15.726 -26.768 1.00 0.00 H new ATOM 1608 N THR A 104 4.785 18.569 -29.005 1.00 0.00 N ATOM 1609 CA THR A 104 6.136 18.664 -29.467 1.00 0.00 C ATOM 1610 C THR A 104 6.947 19.579 -28.555 1.00 0.00 C ATOM 1611 O THR A 104 6.485 20.662 -28.183 1.00 0.00 O ATOM 1612 CB THR A 104 6.155 19.196 -30.902 1.00 0.00 C ATOM 1613 OG1 THR A 104 5.336 18.351 -31.725 1.00 0.00 O ATOM 1614 CG2 THR A 104 7.571 19.238 -31.460 1.00 0.00 C ATOM 0 H THR A 104 4.340 19.469 -28.824 1.00 0.00 H new ATOM 0 HA THR A 104 6.587 17.672 -29.448 1.00 0.00 H new ATOM 0 HB THR A 104 5.766 20.214 -30.900 1.00 0.00 H new ATOM 0 HG1 THR A 104 5.342 18.686 -32.646 1.00 0.00 H new ATOM 0 HG21 THR A 104 7.549 19.620 -32.480 1.00 0.00 H new ATOM 0 HG22 THR A 104 8.187 19.891 -30.841 1.00 0.00 H new ATOM 0 HG23 THR A 104 7.993 18.233 -31.458 1.00 0.00 H new ATOM 1622 N ILE A 105 8.135 19.135 -28.184 1.00 0.00 N ATOM 1623 CA ILE A 105 9.018 19.917 -27.334 1.00 0.00 C ATOM 1624 C ILE A 105 10.448 19.850 -27.865 1.00 0.00 C ATOM 1625 O ILE A 105 10.946 18.770 -28.208 1.00 0.00 O ATOM 1626 CB ILE A 105 8.993 19.467 -25.828 1.00 0.00 C ATOM 1627 CG1 ILE A 105 9.308 17.957 -25.656 1.00 0.00 C ATOM 1628 CG2 ILE A 105 7.657 19.818 -25.176 1.00 0.00 C ATOM 1629 CD1 ILE A 105 8.149 17.022 -25.972 1.00 0.00 C ATOM 0 H ILE A 105 8.514 18.229 -28.461 1.00 0.00 H new ATOM 0 HA ILE A 105 8.648 20.942 -27.364 1.00 0.00 H new ATOM 0 HB ILE A 105 9.785 20.018 -25.321 1.00 0.00 H new ATOM 0 HG12 ILE A 105 10.149 17.700 -26.300 1.00 0.00 H new ATOM 0 HG13 ILE A 105 9.628 17.782 -24.629 1.00 0.00 H new ATOM 0 HG21 ILE A 105 7.665 19.496 -24.135 1.00 0.00 H new ATOM 0 HG22 ILE A 105 7.502 20.896 -25.222 1.00 0.00 H new ATOM 0 HG23 ILE A 105 6.850 19.312 -25.706 1.00 0.00 H new ATOM 0 HD11 ILE A 105 8.464 15.989 -25.823 1.00 0.00 H new ATOM 0 HD12 ILE A 105 7.311 17.245 -25.311 1.00 0.00 H new ATOM 0 HD13 ILE A 105 7.841 17.162 -27.008 1.00 0.00 H new ATOM 1641 N SER A 106 11.091 20.998 -27.972 1.00 0.00 N ATOM 1642 CA SER A 106 12.449 21.070 -28.471 1.00 0.00 C ATOM 1643 C SER A 106 13.290 21.931 -27.535 1.00 0.00 C ATOM 1644 O SER A 106 12.924 23.073 -27.244 1.00 0.00 O ATOM 1645 CB SER A 106 12.445 21.673 -29.874 1.00 0.00 C ATOM 1646 OG SER A 106 11.416 21.091 -30.663 1.00 0.00 O ATOM 0 H SER A 106 10.689 21.900 -27.717 1.00 0.00 H new ATOM 0 HA SER A 106 12.877 20.068 -28.515 1.00 0.00 H new ATOM 0 HB2 SER A 106 12.298 22.751 -29.812 1.00 0.00 H new ATOM 0 HB3 SER A 106 13.412 21.510 -30.349 1.00 0.00 H new ATOM 0 HG SER A 106 11.426 21.489 -31.558 1.00 0.00 H new ATOM 1652 N LYS A 107 14.403 21.399 -27.067 1.00 0.00 N ATOM 1653 CA LYS A 107 15.259 22.130 -26.147 1.00 0.00 C ATOM 1654 C LYS A 107 16.729 22.007 -26.526 1.00 0.00 C ATOM 1655 O LYS A 107 17.183 20.940 -26.933 1.00 0.00 O ATOM 1656 CB LYS A 107 15.044 21.651 -24.702 1.00 0.00 C ATOM 1657 CG LYS A 107 13.692 22.036 -24.113 1.00 0.00 C ATOM 1658 CD LYS A 107 13.561 21.577 -22.670 1.00 0.00 C ATOM 1659 CE LYS A 107 12.255 22.054 -22.047 1.00 0.00 C ATOM 1660 NZ LYS A 107 11.065 21.513 -22.755 1.00 0.00 N ATOM 0 H LYS A 107 14.737 20.465 -27.307 1.00 0.00 H new ATOM 0 HA LYS A 107 14.981 23.182 -26.215 1.00 0.00 H new ATOM 0 HB2 LYS A 107 15.146 20.566 -24.671 1.00 0.00 H new ATOM 0 HB3 LYS A 107 15.833 22.063 -24.073 1.00 0.00 H new ATOM 0 HG2 LYS A 107 13.566 23.118 -24.165 1.00 0.00 H new ATOM 0 HG3 LYS A 107 12.895 21.594 -24.710 1.00 0.00 H new ATOM 0 HD2 LYS A 107 13.609 20.489 -22.628 1.00 0.00 H new ATOM 0 HD3 LYS A 107 14.402 21.956 -22.089 1.00 0.00 H new ATOM 0 HE2 LYS A 107 12.222 21.751 -21.000 1.00 0.00 H new ATOM 0 HE3 LYS A 107 12.222 23.143 -22.065 1.00 0.00 H new ATOM 0 HZ1 LYS A 107 10.205 21.751 -22.220 1.00 0.00 H new ATOM 0 HZ2 LYS A 107 11.008 21.930 -23.706 1.00 0.00 H new ATOM 0 HZ3 LYS A 107 11.149 20.479 -22.835 1.00 0.00 H new ATOM 1674 N PRO A 108 17.477 23.111 -26.442 1.00 0.00 N ATOM 1675 CA PRO A 108 18.919 23.079 -26.664 1.00 0.00 C ATOM 1676 C PRO A 108 19.597 22.199 -25.613 1.00 0.00 C ATOM 1677 O PRO A 108 19.450 22.428 -24.409 1.00 0.00 O ATOM 1678 CB PRO A 108 19.354 24.542 -26.507 1.00 0.00 C ATOM 1679 CG PRO A 108 18.100 25.334 -26.656 1.00 0.00 C ATOM 1680 CD PRO A 108 16.993 24.464 -26.141 1.00 0.00 C ATOM 0 HA PRO A 108 19.189 22.666 -27.636 1.00 0.00 H new ATOM 0 HB2 PRO A 108 19.817 24.714 -25.535 1.00 0.00 H new ATOM 0 HB3 PRO A 108 20.088 24.819 -27.263 1.00 0.00 H new ATOM 0 HG2 PRO A 108 18.158 26.265 -26.092 1.00 0.00 H new ATOM 0 HG3 PRO A 108 17.931 25.603 -27.699 1.00 0.00 H new ATOM 0 HD2 PRO A 108 16.830 24.607 -25.073 1.00 0.00 H new ATOM 0 HD3 PRO A 108 16.047 24.676 -26.639 1.00 0.00 H new ATOM 1688 N CYS A 109 20.324 21.196 -26.064 1.00 0.00 N ATOM 1689 CA CYS A 109 20.955 20.251 -25.157 1.00 0.00 C ATOM 1690 C CYS A 109 22.283 20.808 -24.643 1.00 0.00 C ATOM 1691 O CYS A 109 22.692 21.910 -25.017 1.00 0.00 O ATOM 1692 CB CYS A 109 21.162 18.896 -25.855 1.00 0.00 C ATOM 1693 SG CYS A 109 21.570 17.513 -24.732 1.00 0.00 S ATOM 0 H CYS A 109 20.494 21.012 -27.053 1.00 0.00 H new ATOM 0 HA CYS A 109 20.298 20.097 -24.301 1.00 0.00 H new ATOM 0 HB2 CYS A 109 20.256 18.644 -26.405 1.00 0.00 H new ATOM 0 HB3 CYS A 109 21.962 18.999 -26.588 1.00 0.00 H new ATOM 1698 N GLY A 110 22.942 20.053 -23.779 1.00 0.00 N ATOM 1699 CA GLY A 110 24.185 20.505 -23.198 1.00 0.00 C ATOM 1700 C GLY A 110 23.943 21.224 -21.895 1.00 0.00 C ATOM 1701 O GLY A 110 24.620 20.975 -20.896 1.00 0.00 O ATOM 0 H GLY A 110 22.635 19.131 -23.469 1.00 0.00 H new ATOM 0 HA2 GLY A 110 24.843 19.653 -23.030 1.00 0.00 H new ATOM 0 HA3 GLY A 110 24.696 21.170 -23.895 1.00 0.00 H new