USER MOD reduce.3.24.130724 H: found=0, std=0, add=824, rem=0, adj=26 USER MOD reduce.3.24.130724 removed 823 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 44 SER OG : rot 180:sc= 0 USER MOD Set 1.2: A 46 THR OG1 : rot 180:sc= -0.704 USER MOD Set 1.3: A 61 LYS NZ :NH3+ -171:sc= 0.0651 (180deg=-0.00309) USER MOD Single : A 27 SER OG : rot 92:sc= 0.0472 USER MOD Single : A 31 HIS :FLIP no HD1:sc= -1.22 F(o=-3.3,f=-1.2) USER MOD Single : A 32 SER OG : rot 180:sc= 0 USER MOD Single : A 34 HIS : no HD1:sc= -2.79 X(o=-2.8,f=-2.7) USER MOD Single : A 38 LYS NZ :NH3+ -159:sc= -0.0529 (180deg=-0.413) USER MOD Single : A 41 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 54 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 56 THR OG1 : rot 180:sc= 0.0414 USER MOD Single : A 57 ASN : amide:sc= -0.162 K(o=-0.16,f=-2.4!) USER MOD Single : A 58 SER OG : rot 180:sc= -0.179 USER MOD Single : A 59 TYR OH : rot 180:sc= 0 USER MOD Single : A 60 TYR OH : rot 180:sc= -0.0941 USER MOD Single : A 63 GLN : amide:sc= -0.0755 X(o=-0.075,f=-0.55) USER MOD Single : A 73 TYR OH : rot 15:sc= -0.432 USER MOD Single : A 78 SER OG : rot 94:sc= 0.168 USER MOD Single : A 88 SER OG : rot 180:sc= 0 USER MOD Single : A 89 ASN : amide:sc= -0.48 X(o=-0.48,f=-0.00042) USER MOD Single : A 90 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 93 GLN : amide:sc= -1.21 X(o=-1.2,f=-0.84!) USER MOD Single : A 94 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Single : A 96 SER OG : rot 180:sc= 0 USER MOD Single : A 97 LYS NZ :NH3+ 149:sc= -0.154 (180deg=-0.365) USER MOD Single : A 103 HIS : no HE2:sc= -3.1! C(o=-3.1!,f=-6.5!) USER MOD Single : A 105 MET CE :methyl -147:sc= -0.128 (180deg=-1.12) USER MOD Single : A 106 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 108 TYR OH : rot 180:sc= -0.012 USER MOD Single : A 111 LYS NZ :NH3+ 159:sc= 0.576 (180deg=0.383) USER MOD Single : A 112 THR OG1 : rot -84:sc= 1.18 USER MOD Single : A 114 ASN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 117 HIS : no HD1:sc= -0.602 X(o=-0.6,f=-0.33) USER MOD Single : A 118 SER OG : rot 180:sc= 0 USER MOD Single : A 119 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 120 ASN : amide:sc= -0.0175 X(o=-0.018,f=0) USER MOD Single : A 122 THR OG1 : rot 180:sc= 0 USER MOD Single : A 123 LYS NZ :NH3+ -166:sc= 0.0586 (180deg=0.0328) USER MOD Single : A 124 TYR OH : rot 180:sc= 0 USER MOD Single : A 126 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 127 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 129 TYR OH : rot 180:sc= 0 USER MOD ----------------------------------------------------------------- ATOM 287 N ALA A 21 5.413 6.691 7.450 1.00 0.00 N ATOM 288 CA ALA A 21 4.040 6.540 7.903 1.00 0.00 C ATOM 289 C ALA A 21 3.960 5.380 8.897 1.00 0.00 C ATOM 290 O ALA A 21 4.884 4.573 8.990 1.00 0.00 O ATOM 291 CB ALA A 21 3.123 6.338 6.695 1.00 0.00 C ATOM 0 HA ALA A 21 3.705 7.440 8.419 1.00 0.00 H new ATOM 0 HB1 ALA A 21 2.093 6.225 7.035 1.00 0.00 H new ATOM 0 HB2 ALA A 21 3.194 7.203 6.035 1.00 0.00 H new ATOM 0 HB3 ALA A 21 3.427 5.442 6.153 1.00 0.00 H new ATOM 297 N ALA A 22 2.847 5.333 9.615 1.00 0.00 N ATOM 298 CA ALA A 22 2.635 4.285 10.598 1.00 0.00 C ATOM 299 C ALA A 22 2.399 2.956 9.877 1.00 0.00 C ATOM 300 O ALA A 22 1.815 2.927 8.795 1.00 0.00 O ATOM 301 CB ALA A 22 1.467 4.669 11.509 1.00 0.00 C ATOM 0 H ALA A 22 2.083 6.004 9.535 1.00 0.00 H new ATOM 0 HA ALA A 22 3.516 4.166 11.229 1.00 0.00 H new ATOM 0 HB1 ALA A 22 1.307 3.883 12.247 1.00 0.00 H new ATOM 0 HB2 ALA A 22 1.696 5.605 12.019 1.00 0.00 H new ATOM 0 HB3 ALA A 22 0.565 4.793 10.911 1.00 0.00 H new ATOM 307 N VAL A 23 2.867 1.887 10.506 1.00 0.00 N ATOM 308 CA VAL A 23 2.715 0.559 9.938 1.00 0.00 C ATOM 309 C VAL A 23 1.666 -0.216 10.739 1.00 0.00 C ATOM 310 O VAL A 23 1.352 0.146 11.872 1.00 0.00 O ATOM 311 CB VAL A 23 4.071 -0.148 9.889 1.00 0.00 C ATOM 312 CG1 VAL A 23 3.908 -1.621 9.509 1.00 0.00 C ATOM 313 CG2 VAL A 23 5.025 0.564 8.928 1.00 0.00 C ATOM 0 H VAL A 23 3.351 1.914 11.403 1.00 0.00 H new ATOM 0 HA VAL A 23 2.359 0.622 8.910 1.00 0.00 H new ATOM 0 HB VAL A 23 4.507 -0.106 10.887 1.00 0.00 H new ATOM 0 HG11 VAL A 23 4.887 -2.100 9.481 1.00 0.00 H new ATOM 0 HG12 VAL A 23 3.280 -2.120 10.247 1.00 0.00 H new ATOM 0 HG13 VAL A 23 3.441 -1.694 8.527 1.00 0.00 H new ATOM 0 HG21 VAL A 23 5.982 0.042 8.911 1.00 0.00 H new ATOM 0 HG22 VAL A 23 4.596 0.568 7.926 1.00 0.00 H new ATOM 0 HG23 VAL A 23 5.178 1.591 9.261 1.00 0.00 H new ATOM 323 N ASP A 24 1.152 -1.268 10.118 1.00 0.00 N ATOM 324 CA ASP A 24 0.145 -2.097 10.758 1.00 0.00 C ATOM 325 C ASP A 24 0.831 -3.101 11.685 1.00 0.00 C ATOM 326 O ASP A 24 1.884 -3.642 11.350 1.00 0.00 O ATOM 327 CB ASP A 24 -0.661 -2.883 9.722 1.00 0.00 C ATOM 328 CG ASP A 24 -2.177 -2.688 9.798 1.00 0.00 C ATOM 329 OD1 ASP A 24 -2.594 -1.770 10.536 1.00 0.00 O ATOM 330 OD2 ASP A 24 -2.883 -3.461 9.116 1.00 0.00 O ATOM 0 H ASP A 24 1.414 -1.565 9.178 1.00 0.00 H new ATOM 0 HA ASP A 24 -0.525 -1.443 11.316 1.00 0.00 H new ATOM 0 HB2 ASP A 24 -0.322 -2.596 8.726 1.00 0.00 H new ATOM 0 HB3 ASP A 24 -0.440 -3.944 9.840 1.00 0.00 H new ATOM 335 N PRO A 25 0.191 -3.327 12.864 1.00 0.00 N ATOM 336 CA PRO A 25 0.729 -4.257 13.842 1.00 0.00 C ATOM 337 C PRO A 25 0.504 -5.705 13.403 1.00 0.00 C ATOM 338 O PRO A 25 1.177 -6.615 13.885 1.00 0.00 O ATOM 339 CB PRO A 25 0.020 -3.914 15.142 1.00 0.00 C ATOM 340 CG PRO A 25 -1.216 -3.123 14.747 1.00 0.00 C ATOM 341 CD PRO A 25 -1.058 -2.704 13.294 1.00 0.00 C ATOM 0 HA PRO A 25 1.809 -4.168 13.957 1.00 0.00 H new ATOM 0 HB2 PRO A 25 -0.252 -4.817 15.688 1.00 0.00 H new ATOM 0 HB3 PRO A 25 0.666 -3.328 15.796 1.00 0.00 H new ATOM 0 HG2 PRO A 25 -2.113 -3.729 14.874 1.00 0.00 H new ATOM 0 HG3 PRO A 25 -1.329 -2.248 15.386 1.00 0.00 H new ATOM 0 HD2 PRO A 25 -1.899 -3.044 12.690 1.00 0.00 H new ATOM 0 HD3 PRO A 25 -1.014 -1.619 13.197 1.00 0.00 H new ATOM 349 N ASP A 26 -0.444 -5.874 12.493 1.00 0.00 N ATOM 350 CA ASP A 26 -0.766 -7.196 11.983 1.00 0.00 C ATOM 351 C ASP A 26 0.300 -7.621 10.972 1.00 0.00 C ATOM 352 O ASP A 26 0.402 -8.798 10.630 1.00 0.00 O ATOM 353 CB ASP A 26 -2.121 -7.197 11.272 1.00 0.00 C ATOM 354 CG ASP A 26 -3.335 -7.067 12.193 1.00 0.00 C ATOM 355 OD1 ASP A 26 -3.507 -7.973 13.037 1.00 0.00 O ATOM 356 OD2 ASP A 26 -4.065 -6.065 12.032 1.00 0.00 O ATOM 0 H ASP A 26 -1.000 -5.117 12.095 1.00 0.00 H new ATOM 0 HA ASP A 26 -0.802 -7.884 12.828 1.00 0.00 H new ATOM 0 HB2 ASP A 26 -2.139 -6.376 10.555 1.00 0.00 H new ATOM 0 HB3 ASP A 26 -2.214 -8.121 10.701 1.00 0.00 H new ATOM 361 N SER A 27 1.067 -6.640 10.521 1.00 0.00 N ATOM 362 CA SER A 27 2.122 -6.898 9.555 1.00 0.00 C ATOM 363 C SER A 27 3.367 -7.427 10.269 1.00 0.00 C ATOM 364 O SER A 27 4.141 -8.189 9.692 1.00 0.00 O ATOM 365 CB SER A 27 2.462 -5.636 8.761 1.00 0.00 C ATOM 366 OG SER A 27 1.639 -4.533 9.132 1.00 0.00 O ATOM 0 H SER A 27 0.979 -5.665 10.806 1.00 0.00 H new ATOM 0 HA SER A 27 1.766 -7.652 8.853 1.00 0.00 H new ATOM 0 HB2 SER A 27 3.509 -5.378 8.922 1.00 0.00 H new ATOM 0 HB3 SER A 27 2.343 -5.835 7.696 1.00 0.00 H new ATOM 0 HG SER A 27 2.075 -4.026 9.848 1.00 0.00 H new ATOM 372 N GLY A 28 3.521 -7.002 11.515 1.00 0.00 N ATOM 373 CA GLY A 28 4.659 -7.424 12.314 1.00 0.00 C ATOM 374 C GLY A 28 5.941 -6.725 11.854 1.00 0.00 C ATOM 375 O GLY A 28 7.030 -7.046 12.327 1.00 0.00 O ATOM 0 H GLY A 28 2.877 -6.370 11.990 1.00 0.00 H new ATOM 0 HA2 GLY A 28 4.474 -7.198 13.364 1.00 0.00 H new ATOM 0 HA3 GLY A 28 4.782 -8.504 12.237 1.00 0.00 H new ATOM 379 N LEU A 29 5.768 -5.783 10.939 1.00 0.00 N ATOM 380 CA LEU A 29 6.897 -5.037 10.411 1.00 0.00 C ATOM 381 C LEU A 29 6.856 -3.607 10.954 1.00 0.00 C ATOM 382 O LEU A 29 7.636 -2.756 10.530 1.00 0.00 O ATOM 383 CB LEU A 29 6.922 -5.114 8.883 1.00 0.00 C ATOM 384 CG LEU A 29 6.282 -6.358 8.263 1.00 0.00 C ATOM 385 CD1 LEU A 29 6.079 -6.178 6.757 1.00 0.00 C ATOM 386 CD2 LEU A 29 7.098 -7.612 8.586 1.00 0.00 C ATOM 0 H LEU A 29 4.863 -5.519 10.550 1.00 0.00 H new ATOM 0 HA LEU A 29 7.836 -5.479 10.745 1.00 0.00 H new ATOM 0 HB2 LEU A 29 6.416 -4.234 8.486 1.00 0.00 H new ATOM 0 HB3 LEU A 29 7.960 -5.061 8.553 1.00 0.00 H new ATOM 0 HG LEU A 29 5.295 -6.492 8.706 1.00 0.00 H new ATOM 0 HD11 LEU A 29 5.623 -7.076 6.341 1.00 0.00 H new ATOM 0 HD12 LEU A 29 5.427 -5.323 6.577 1.00 0.00 H new ATOM 0 HD13 LEU A 29 7.043 -6.006 6.278 1.00 0.00 H new ATOM 0 HD21 LEU A 29 6.622 -8.482 8.134 1.00 0.00 H new ATOM 0 HD22 LEU A 29 8.107 -7.502 8.188 1.00 0.00 H new ATOM 0 HD23 LEU A 29 7.147 -7.746 9.667 1.00 0.00 H new ATOM 398 N GLU A 30 5.939 -3.387 11.884 1.00 0.00 N ATOM 399 CA GLU A 30 5.787 -2.075 12.490 1.00 0.00 C ATOM 400 C GLU A 30 6.906 -1.824 13.502 1.00 0.00 C ATOM 401 O GLU A 30 7.087 -0.700 13.967 1.00 0.00 O ATOM 402 CB GLU A 30 4.412 -1.930 13.146 1.00 0.00 C ATOM 403 CG GLU A 30 4.198 -3.005 14.214 1.00 0.00 C ATOM 404 CD GLU A 30 3.196 -2.537 15.271 1.00 0.00 C ATOM 405 OE1 GLU A 30 2.167 -1.959 14.860 1.00 0.00 O ATOM 406 OE2 GLU A 30 3.482 -2.766 16.466 1.00 0.00 O ATOM 0 H GLU A 30 5.293 -4.095 12.233 1.00 0.00 H new ATOM 0 HA GLU A 30 5.860 -1.323 11.704 1.00 0.00 H new ATOM 0 HB2 GLU A 30 4.323 -0.942 13.597 1.00 0.00 H new ATOM 0 HB3 GLU A 30 3.633 -2.006 12.387 1.00 0.00 H new ATOM 0 HG2 GLU A 30 3.837 -3.921 13.746 1.00 0.00 H new ATOM 0 HG3 GLU A 30 5.149 -3.244 14.690 1.00 0.00 H new ATOM 413 N HIS A 31 7.629 -2.891 13.813 1.00 0.00 N ATOM 414 CA HIS A 31 8.726 -2.800 14.762 1.00 0.00 C ATOM 415 C HIS A 31 10.034 -3.195 14.073 1.00 0.00 C ATOM 416 O HIS A 31 11.052 -3.396 14.733 1.00 0.00 O ATOM 417 CB HIS A 31 8.437 -3.638 16.009 1.00 0.00 C ATOM 418 CG HIS A 31 7.432 -4.743 15.787 1.00 0.00 C ATOM 419 ND1 HIS A 31 6.185 -4.932 16.307 1.00 0.00 N flip ATOM 420 CD2 HIS A 31 7.671 -5.815 14.944 1.00 0.00 C flip ATOM 421 CE1 HIS A 31 5.689 -6.057 15.807 1.00 0.00 C flip ATOM 422 NE2 HIS A 31 6.608 -6.606 14.963 1.00 0.00 N flip ATOM 0 H HIS A 31 7.476 -3.822 13.425 1.00 0.00 H new ATOM 0 HA HIS A 31 8.831 -1.770 15.104 1.00 0.00 H new ATOM 0 HB2 HIS A 31 9.370 -4.075 16.365 1.00 0.00 H new ATOM 0 HB3 HIS A 31 8.071 -2.982 16.799 1.00 0.00 H new ATOM 0 HD2 HIS A 31 8.570 -5.979 14.369 1.00 0.00 H new ATOM 0 HE1 HIS A 31 4.717 -6.470 16.032 1.00 0.00 H new ATOM 0 HE2 HIS A 31 6.497 -7.474 14.438 1.00 0.00 H new ATOM 430 N SER A 32 9.964 -3.295 12.753 1.00 0.00 N ATOM 431 CA SER A 32 11.129 -3.662 11.967 1.00 0.00 C ATOM 432 C SER A 32 11.194 -2.809 10.698 1.00 0.00 C ATOM 433 O SER A 32 12.201 -2.152 10.439 1.00 0.00 O ATOM 434 CB SER A 32 11.105 -5.149 11.607 1.00 0.00 C ATOM 435 OG SER A 32 12.073 -5.892 12.342 1.00 0.00 O ATOM 0 H SER A 32 9.118 -3.128 12.209 1.00 0.00 H new ATOM 0 HA SER A 32 12.019 -3.476 12.568 1.00 0.00 H new ATOM 0 HB2 SER A 32 10.112 -5.553 11.803 1.00 0.00 H new ATOM 0 HB3 SER A 32 11.292 -5.267 10.540 1.00 0.00 H new ATOM 0 HG SER A 32 12.025 -6.836 12.085 1.00 0.00 H new ATOM 441 N ALA A 33 10.108 -2.848 9.941 1.00 0.00 N ATOM 442 CA ALA A 33 10.029 -2.088 8.706 1.00 0.00 C ATOM 443 C ALA A 33 9.151 -0.854 8.926 1.00 0.00 C ATOM 444 O ALA A 33 8.632 -0.645 10.022 1.00 0.00 O ATOM 445 CB ALA A 33 9.501 -2.986 7.585 1.00 0.00 C ATOM 0 H ALA A 33 9.275 -3.395 10.159 1.00 0.00 H new ATOM 0 HA ALA A 33 11.018 -1.740 8.407 1.00 0.00 H new ATOM 0 HB1 ALA A 33 9.442 -2.415 6.659 1.00 0.00 H new ATOM 0 HB2 ALA A 33 10.175 -3.831 7.448 1.00 0.00 H new ATOM 0 HB3 ALA A 33 8.509 -3.352 7.849 1.00 0.00 H new ATOM 451 N HIS A 34 9.012 -0.070 7.868 1.00 0.00 N ATOM 452 CA HIS A 34 8.205 1.137 7.932 1.00 0.00 C ATOM 453 C HIS A 34 7.660 1.465 6.541 1.00 0.00 C ATOM 454 O HIS A 34 8.192 0.997 5.535 1.00 0.00 O ATOM 455 CB HIS A 34 9.002 2.291 8.543 1.00 0.00 C ATOM 456 CG HIS A 34 10.215 2.694 7.739 1.00 0.00 C ATOM 457 ND1 HIS A 34 11.472 2.842 8.301 1.00 0.00 N ATOM 458 CD2 HIS A 34 10.351 2.976 6.412 1.00 0.00 C ATOM 459 CE1 HIS A 34 12.318 3.198 7.346 1.00 0.00 C ATOM 460 NE2 HIS A 34 11.621 3.281 6.176 1.00 0.00 N ATOM 0 H HIS A 34 9.444 -0.247 6.961 1.00 0.00 H new ATOM 0 HA HIS A 34 7.351 0.973 8.589 1.00 0.00 H new ATOM 0 HB2 HIS A 34 8.346 3.155 8.650 1.00 0.00 H new ATOM 0 HB3 HIS A 34 9.321 2.007 9.546 1.00 0.00 H new ATOM 0 HD2 HIS A 34 9.560 2.955 5.677 1.00 0.00 H new ATOM 0 HE1 HIS A 34 13.374 3.389 7.471 1.00 0.00 H new ATOM 0 HE2 HIS A 34 12.012 3.536 5.269 1.00 0.00 H new ATOM 468 N VAL A 35 6.605 2.267 6.527 1.00 0.00 N ATOM 469 CA VAL A 35 5.982 2.663 5.275 1.00 0.00 C ATOM 470 C VAL A 35 7.051 3.219 4.332 1.00 0.00 C ATOM 471 O VAL A 35 7.869 4.045 4.734 1.00 0.00 O ATOM 472 CB VAL A 35 4.849 3.654 5.546 1.00 0.00 C ATOM 473 CG1 VAL A 35 4.252 4.175 4.237 1.00 0.00 C ATOM 474 CG2 VAL A 35 3.769 3.025 6.429 1.00 0.00 C ATOM 0 H VAL A 35 6.166 2.653 7.363 1.00 0.00 H new ATOM 0 HA VAL A 35 5.531 1.801 4.783 1.00 0.00 H new ATOM 0 HB VAL A 35 5.269 4.503 6.085 1.00 0.00 H new ATOM 0 HG11 VAL A 35 3.449 4.878 4.458 1.00 0.00 H new ATOM 0 HG12 VAL A 35 5.027 4.679 3.659 1.00 0.00 H new ATOM 0 HG13 VAL A 35 3.855 3.340 3.660 1.00 0.00 H new ATOM 0 HG21 VAL A 35 2.975 3.751 6.606 1.00 0.00 H new ATOM 0 HG22 VAL A 35 3.355 2.149 5.929 1.00 0.00 H new ATOM 0 HG23 VAL A 35 4.206 2.726 7.382 1.00 0.00 H new ATOM 484 N LEU A 36 7.009 2.745 3.096 1.00 0.00 N ATOM 485 CA LEU A 36 7.963 3.184 2.093 1.00 0.00 C ATOM 486 C LEU A 36 7.694 4.650 1.747 1.00 0.00 C ATOM 487 O LEU A 36 6.583 5.142 1.936 1.00 0.00 O ATOM 488 CB LEU A 36 7.935 2.251 0.881 1.00 0.00 C ATOM 489 CG LEU A 36 8.698 2.733 -0.355 1.00 0.00 C ATOM 490 CD1 LEU A 36 10.181 2.935 -0.038 1.00 0.00 C ATOM 491 CD2 LEU A 36 8.489 1.781 -1.534 1.00 0.00 C ATOM 0 H LEU A 36 6.328 2.061 2.766 1.00 0.00 H new ATOM 0 HA LEU A 36 8.979 3.129 2.484 1.00 0.00 H new ATOM 0 HB2 LEU A 36 8.342 1.286 1.181 1.00 0.00 H new ATOM 0 HB3 LEU A 36 6.895 2.085 0.600 1.00 0.00 H new ATOM 0 HG LEU A 36 8.296 3.702 -0.649 1.00 0.00 H new ATOM 0 HD11 LEU A 36 10.701 3.278 -0.933 1.00 0.00 H new ATOM 0 HD12 LEU A 36 10.286 3.680 0.751 1.00 0.00 H new ATOM 0 HD13 LEU A 36 10.614 1.991 0.294 1.00 0.00 H new ATOM 0 HD21 LEU A 36 9.042 2.147 -2.399 1.00 0.00 H new ATOM 0 HD22 LEU A 36 8.848 0.787 -1.267 1.00 0.00 H new ATOM 0 HD23 LEU A 36 7.428 1.730 -1.777 1.00 0.00 H new ATOM 503 N GLU A 37 8.730 5.307 1.245 1.00 0.00 N ATOM 504 CA GLU A 37 8.619 6.706 0.871 1.00 0.00 C ATOM 505 C GLU A 37 9.408 6.977 -0.411 1.00 0.00 C ATOM 506 O GLU A 37 10.549 6.536 -0.547 1.00 0.00 O ATOM 507 CB GLU A 37 9.089 7.617 2.007 1.00 0.00 C ATOM 508 CG GLU A 37 7.917 8.031 2.899 1.00 0.00 C ATOM 509 CD GLU A 37 8.367 8.206 4.351 1.00 0.00 C ATOM 510 OE1 GLU A 37 9.210 7.391 4.785 1.00 0.00 O ATOM 511 OE2 GLU A 37 7.858 9.149 4.993 1.00 0.00 O ATOM 0 H GLU A 37 9.650 4.896 1.089 1.00 0.00 H new ATOM 0 HA GLU A 37 7.569 6.929 0.682 1.00 0.00 H new ATOM 0 HB2 GLU A 37 9.841 7.101 2.604 1.00 0.00 H new ATOM 0 HB3 GLU A 37 9.566 8.505 1.592 1.00 0.00 H new ATOM 0 HG2 GLU A 37 7.488 8.964 2.533 1.00 0.00 H new ATOM 0 HG3 GLU A 37 7.132 7.277 2.846 1.00 0.00 H new ATOM 518 N LYS A 38 8.771 7.701 -1.319 1.00 0.00 N ATOM 519 CA LYS A 38 9.399 8.036 -2.585 1.00 0.00 C ATOM 520 C LYS A 38 8.860 9.381 -3.077 1.00 0.00 C ATOM 521 O LYS A 38 7.723 9.745 -2.780 1.00 0.00 O ATOM 522 CB LYS A 38 9.219 6.897 -3.591 1.00 0.00 C ATOM 523 CG LYS A 38 10.094 7.114 -4.827 1.00 0.00 C ATOM 524 CD LYS A 38 10.104 5.869 -5.717 1.00 0.00 C ATOM 525 CE LYS A 38 10.767 6.163 -7.064 1.00 0.00 C ATOM 526 NZ LYS A 38 9.943 7.106 -7.853 1.00 0.00 N ATOM 0 H LYS A 38 7.825 8.065 -1.203 1.00 0.00 H new ATOM 0 HA LYS A 38 10.475 8.151 -2.457 1.00 0.00 H new ATOM 0 HB2 LYS A 38 9.476 5.948 -3.121 1.00 0.00 H new ATOM 0 HB3 LYS A 38 8.172 6.832 -3.889 1.00 0.00 H new ATOM 0 HG2 LYS A 38 9.723 7.968 -5.394 1.00 0.00 H new ATOM 0 HG3 LYS A 38 11.112 7.354 -4.519 1.00 0.00 H new ATOM 0 HD2 LYS A 38 10.637 5.062 -5.214 1.00 0.00 H new ATOM 0 HD3 LYS A 38 9.082 5.525 -5.878 1.00 0.00 H new ATOM 0 HE2 LYS A 38 11.759 6.585 -6.903 1.00 0.00 H new ATOM 0 HE3 LYS A 38 10.901 5.235 -7.620 1.00 0.00 H new ATOM 0 HZ1 LYS A 38 10.192 7.026 -8.860 1.00 0.00 H new ATOM 0 HZ2 LYS A 38 8.936 6.878 -7.726 1.00 0.00 H new ATOM 0 HZ3 LYS A 38 10.121 8.078 -7.528 1.00 0.00 H new ATOM 540 N GLY A 39 9.702 10.084 -3.821 1.00 0.00 N ATOM 541 CA GLY A 39 9.325 11.380 -4.357 1.00 0.00 C ATOM 542 C GLY A 39 8.599 12.219 -3.303 1.00 0.00 C ATOM 543 O GLY A 39 7.537 12.778 -3.573 1.00 0.00 O ATOM 0 H GLY A 39 10.644 9.780 -4.065 1.00 0.00 H new ATOM 0 HA2 GLY A 39 10.215 11.909 -4.699 1.00 0.00 H new ATOM 0 HA3 GLY A 39 8.681 11.245 -5.226 1.00 0.00 H new ATOM 547 N GLY A 40 9.202 12.281 -2.125 1.00 0.00 N ATOM 548 CA GLY A 40 8.626 13.042 -1.029 1.00 0.00 C ATOM 549 C GLY A 40 7.157 12.670 -0.815 1.00 0.00 C ATOM 550 O GLY A 40 6.321 13.541 -0.580 1.00 0.00 O ATOM 0 H GLY A 40 10.083 11.817 -1.905 1.00 0.00 H new ATOM 0 HA2 GLY A 40 9.189 12.853 -0.115 1.00 0.00 H new ATOM 0 HA3 GLY A 40 8.708 14.108 -1.240 1.00 0.00 H new ATOM 554 N LYS A 41 6.888 11.376 -0.904 1.00 0.00 N ATOM 555 CA LYS A 41 5.535 10.879 -0.724 1.00 0.00 C ATOM 556 C LYS A 41 5.564 9.657 0.196 1.00 0.00 C ATOM 557 O LYS A 41 6.634 9.143 0.518 1.00 0.00 O ATOM 558 CB LYS A 41 4.877 10.613 -2.079 1.00 0.00 C ATOM 559 CG LYS A 41 4.157 11.862 -2.594 1.00 0.00 C ATOM 560 CD LYS A 41 2.696 11.877 -2.141 1.00 0.00 C ATOM 561 CE LYS A 41 1.775 11.347 -3.242 1.00 0.00 C ATOM 562 NZ LYS A 41 0.571 12.197 -3.366 1.00 0.00 N ATOM 0 H LYS A 41 7.584 10.656 -1.098 1.00 0.00 H new ATOM 0 HA LYS A 41 4.914 11.631 -0.237 1.00 0.00 H new ATOM 0 HB2 LYS A 41 5.633 10.302 -2.800 1.00 0.00 H new ATOM 0 HB3 LYS A 41 4.167 9.791 -1.987 1.00 0.00 H new ATOM 0 HG2 LYS A 41 4.664 12.755 -2.229 1.00 0.00 H new ATOM 0 HG3 LYS A 41 4.205 11.891 -3.683 1.00 0.00 H new ATOM 0 HD2 LYS A 41 2.584 11.269 -1.244 1.00 0.00 H new ATOM 0 HD3 LYS A 41 2.404 12.893 -1.876 1.00 0.00 H new ATOM 0 HE2 LYS A 41 2.310 11.324 -4.191 1.00 0.00 H new ATOM 0 HE3 LYS A 41 1.482 10.322 -3.016 1.00 0.00 H new ATOM 0 HZ1 LYS A 41 -0.042 11.822 -4.118 1.00 0.00 H new ATOM 0 HZ2 LYS A 41 0.053 12.198 -2.464 1.00 0.00 H new ATOM 0 HZ3 LYS A 41 0.855 13.169 -3.603 1.00 0.00 H new ATOM 576 N VAL A 42 4.375 9.226 0.593 1.00 0.00 N ATOM 577 CA VAL A 42 4.251 8.074 1.469 1.00 0.00 C ATOM 578 C VAL A 42 3.376 7.016 0.793 1.00 0.00 C ATOM 579 O VAL A 42 2.321 7.335 0.247 1.00 0.00 O ATOM 580 CB VAL A 42 3.714 8.510 2.834 1.00 0.00 C ATOM 581 CG1 VAL A 42 3.306 7.299 3.675 1.00 0.00 C ATOM 582 CG2 VAL A 42 4.738 9.372 3.575 1.00 0.00 C ATOM 0 H VAL A 42 3.489 9.654 0.324 1.00 0.00 H new ATOM 0 HA VAL A 42 5.227 7.623 1.647 1.00 0.00 H new ATOM 0 HB VAL A 42 2.824 9.116 2.666 1.00 0.00 H new ATOM 0 HG11 VAL A 42 2.928 7.637 4.640 1.00 0.00 H new ATOM 0 HG12 VAL A 42 2.527 6.741 3.155 1.00 0.00 H new ATOM 0 HG13 VAL A 42 4.172 6.655 3.830 1.00 0.00 H new ATOM 0 HG21 VAL A 42 4.332 9.669 4.542 1.00 0.00 H new ATOM 0 HG22 VAL A 42 5.654 8.800 3.726 1.00 0.00 H new ATOM 0 HG23 VAL A 42 4.959 10.262 2.986 1.00 0.00 H new ATOM 592 N PHE A 43 3.847 5.779 0.851 1.00 0.00 N ATOM 593 CA PHE A 43 3.121 4.673 0.251 1.00 0.00 C ATOM 594 C PHE A 43 2.025 4.163 1.189 1.00 0.00 C ATOM 595 O PHE A 43 1.998 2.984 1.536 1.00 0.00 O ATOM 596 CB PHE A 43 4.133 3.551 0.012 1.00 0.00 C ATOM 597 CG PHE A 43 5.092 3.815 -1.150 1.00 0.00 C ATOM 598 CD1 PHE A 43 5.872 4.929 -1.149 1.00 0.00 C ATOM 599 CD2 PHE A 43 5.164 2.936 -2.186 1.00 0.00 C ATOM 600 CE1 PHE A 43 6.762 5.174 -2.228 1.00 0.00 C ATOM 601 CE2 PHE A 43 6.054 3.181 -3.265 1.00 0.00 C ATOM 602 CZ PHE A 43 6.834 4.295 -3.263 1.00 0.00 C ATOM 0 H PHE A 43 4.723 5.518 1.304 1.00 0.00 H new ATOM 0 HA PHE A 43 2.647 4.998 -0.675 1.00 0.00 H new ATOM 0 HB2 PHE A 43 4.714 3.400 0.922 1.00 0.00 H new ATOM 0 HB3 PHE A 43 3.593 2.624 -0.179 1.00 0.00 H new ATOM 0 HD1 PHE A 43 5.815 5.628 -0.327 1.00 0.00 H new ATOM 0 HD2 PHE A 43 4.544 2.052 -2.188 1.00 0.00 H new ATOM 0 HE1 PHE A 43 7.382 6.058 -2.227 1.00 0.00 H new ATOM 0 HE2 PHE A 43 6.111 2.483 -4.087 1.00 0.00 H new ATOM 0 HZ PHE A 43 7.511 4.482 -4.084 1.00 0.00 H new ATOM 612 N SER A 44 1.147 5.078 1.574 1.00 0.00 N ATOM 613 CA SER A 44 0.051 4.737 2.465 1.00 0.00 C ATOM 614 C SER A 44 -1.245 5.383 1.972 1.00 0.00 C ATOM 615 O SER A 44 -1.502 6.554 2.248 1.00 0.00 O ATOM 616 CB SER A 44 0.351 5.175 3.900 1.00 0.00 C ATOM 617 OG SER A 44 -0.831 5.254 4.692 1.00 0.00 O ATOM 0 H SER A 44 1.173 6.056 1.285 1.00 0.00 H new ATOM 0 HA SER A 44 -0.067 3.653 2.462 1.00 0.00 H new ATOM 0 HB2 SER A 44 1.047 4.471 4.356 1.00 0.00 H new ATOM 0 HB3 SER A 44 0.844 6.147 3.887 1.00 0.00 H new ATOM 0 HG SER A 44 -0.597 5.535 5.601 1.00 0.00 H new ATOM 623 N ALA A 45 -2.027 4.593 1.252 1.00 0.00 N ATOM 624 CA ALA A 45 -3.290 5.073 0.719 1.00 0.00 C ATOM 625 C ALA A 45 -4.430 4.207 1.259 1.00 0.00 C ATOM 626 O ALA A 45 -4.308 2.985 1.323 1.00 0.00 O ATOM 627 CB ALA A 45 -3.232 5.074 -0.810 1.00 0.00 C ATOM 0 H ALA A 45 -1.810 3.623 1.025 1.00 0.00 H new ATOM 0 HA ALA A 45 -3.476 6.098 1.039 1.00 0.00 H new ATOM 0 HB1 ALA A 45 -4.180 5.434 -1.210 1.00 0.00 H new ATOM 0 HB2 ALA A 45 -2.426 5.728 -1.143 1.00 0.00 H new ATOM 0 HB3 ALA A 45 -3.049 4.061 -1.168 1.00 0.00 H new ATOM 633 N THR A 46 -5.512 4.874 1.633 1.00 0.00 N ATOM 634 CA THR A 46 -6.672 4.180 2.165 1.00 0.00 C ATOM 635 C THR A 46 -7.845 4.277 1.189 1.00 0.00 C ATOM 636 O THR A 46 -8.542 5.290 1.148 1.00 0.00 O ATOM 637 CB THR A 46 -6.980 4.763 3.546 1.00 0.00 C ATOM 638 OG1 THR A 46 -5.847 4.409 4.333 1.00 0.00 O ATOM 639 CG2 THR A 46 -8.148 4.055 4.233 1.00 0.00 C ATOM 0 H THR A 46 -5.610 5.888 1.578 1.00 0.00 H new ATOM 0 HA THR A 46 -6.476 3.114 2.283 1.00 0.00 H new ATOM 0 HB THR A 46 -7.206 5.825 3.449 1.00 0.00 H new ATOM 0 HG1 THR A 46 -5.962 4.750 5.245 1.00 0.00 H new ATOM 0 HG21 THR A 46 -8.324 4.507 5.209 1.00 0.00 H new ATOM 0 HG22 THR A 46 -9.044 4.153 3.620 1.00 0.00 H new ATOM 0 HG23 THR A 46 -7.909 2.999 4.360 1.00 0.00 H new ATOM 647 N LEU A 47 -8.029 3.209 0.426 1.00 0.00 N ATOM 648 CA LEU A 47 -9.106 3.161 -0.548 1.00 0.00 C ATOM 649 C LEU A 47 -10.377 2.642 0.129 1.00 0.00 C ATOM 650 O LEU A 47 -10.315 2.059 1.210 1.00 0.00 O ATOM 651 CB LEU A 47 -8.686 2.346 -1.773 1.00 0.00 C ATOM 652 CG LEU A 47 -7.431 2.831 -2.502 1.00 0.00 C ATOM 653 CD1 LEU A 47 -7.062 1.885 -3.646 1.00 0.00 C ATOM 654 CD2 LEU A 47 -7.600 4.274 -2.983 1.00 0.00 C ATOM 0 H LEU A 47 -7.450 2.370 0.463 1.00 0.00 H new ATOM 0 HA LEU A 47 -9.327 4.161 -0.920 1.00 0.00 H new ATOM 0 HB2 LEU A 47 -8.525 1.314 -1.461 1.00 0.00 H new ATOM 0 HB3 LEU A 47 -9.514 2.339 -2.482 1.00 0.00 H new ATOM 0 HG LEU A 47 -6.600 2.822 -1.796 1.00 0.00 H new ATOM 0 HD11 LEU A 47 -6.167 2.253 -4.148 1.00 0.00 H new ATOM 0 HD12 LEU A 47 -6.871 0.889 -3.247 1.00 0.00 H new ATOM 0 HD13 LEU A 47 -7.885 1.839 -4.360 1.00 0.00 H new ATOM 0 HD21 LEU A 47 -6.694 4.594 -3.498 1.00 0.00 H new ATOM 0 HD22 LEU A 47 -8.446 4.333 -3.667 1.00 0.00 H new ATOM 0 HD23 LEU A 47 -7.780 4.924 -2.127 1.00 0.00 H new ATOM 666 N GLY A 48 -11.500 2.874 -0.535 1.00 0.00 N ATOM 667 CA GLY A 48 -12.783 2.437 -0.011 1.00 0.00 C ATOM 668 C GLY A 48 -13.808 2.277 -1.136 1.00 0.00 C ATOM 669 O GLY A 48 -14.091 3.229 -1.862 1.00 0.00 O ATOM 0 H GLY A 48 -11.548 3.359 -1.431 1.00 0.00 H new ATOM 0 HA2 GLY A 48 -12.662 1.489 0.513 1.00 0.00 H new ATOM 0 HA3 GLY A 48 -13.148 3.160 0.718 1.00 0.00 H new ATOM 673 N LEU A 49 -14.337 1.067 -1.244 1.00 0.00 N ATOM 674 CA LEU A 49 -15.325 0.771 -2.267 1.00 0.00 C ATOM 675 C LEU A 49 -16.559 0.146 -1.613 1.00 0.00 C ATOM 676 O LEU A 49 -16.436 -0.664 -0.696 1.00 0.00 O ATOM 677 CB LEU A 49 -14.710 -0.092 -3.371 1.00 0.00 C ATOM 678 CG LEU A 49 -15.527 -0.215 -4.659 1.00 0.00 C ATOM 679 CD1 LEU A 49 -16.680 -1.205 -4.484 1.00 0.00 C ATOM 680 CD2 LEU A 49 -16.014 1.156 -5.132 1.00 0.00 C ATOM 0 H LEU A 49 -14.100 0.280 -0.640 1.00 0.00 H new ATOM 0 HA LEU A 49 -15.654 1.688 -2.756 1.00 0.00 H new ATOM 0 HB2 LEU A 49 -13.732 0.317 -3.622 1.00 0.00 H new ATOM 0 HB3 LEU A 49 -14.544 -1.093 -2.972 1.00 0.00 H new ATOM 0 HG LEU A 49 -14.878 -0.612 -5.439 1.00 0.00 H new ATOM 0 HD11 LEU A 49 -17.245 -1.274 -5.414 1.00 0.00 H new ATOM 0 HD12 LEU A 49 -16.281 -2.187 -4.228 1.00 0.00 H new ATOM 0 HD13 LEU A 49 -17.337 -0.861 -3.685 1.00 0.00 H new ATOM 0 HD21 LEU A 49 -16.592 1.040 -6.049 1.00 0.00 H new ATOM 0 HD22 LEU A 49 -16.641 1.605 -4.362 1.00 0.00 H new ATOM 0 HD23 LEU A 49 -15.156 1.801 -5.323 1.00 0.00 H new ATOM 692 N VAL A 50 -17.719 0.546 -2.110 1.00 0.00 N ATOM 693 CA VAL A 50 -18.974 0.036 -1.586 1.00 0.00 C ATOM 694 C VAL A 50 -19.938 -0.226 -2.745 1.00 0.00 C ATOM 695 O VAL A 50 -20.101 0.618 -3.624 1.00 0.00 O ATOM 696 CB VAL A 50 -19.540 1.005 -0.546 1.00 0.00 C ATOM 697 CG1 VAL A 50 -18.854 2.370 -0.639 1.00 0.00 C ATOM 698 CG2 VAL A 50 -21.057 1.142 -0.692 1.00 0.00 C ATOM 0 H VAL A 50 -17.817 1.218 -2.871 1.00 0.00 H new ATOM 0 HA VAL A 50 -18.815 -0.913 -1.074 1.00 0.00 H new ATOM 0 HB VAL A 50 -19.335 0.593 0.442 1.00 0.00 H new ATOM 0 HG11 VAL A 50 -19.274 3.040 0.111 1.00 0.00 H new ATOM 0 HG12 VAL A 50 -17.785 2.253 -0.462 1.00 0.00 H new ATOM 0 HG13 VAL A 50 -19.014 2.790 -1.632 1.00 0.00 H new ATOM 0 HG21 VAL A 50 -21.434 1.836 0.059 1.00 0.00 H new ATOM 0 HG22 VAL A 50 -21.294 1.520 -1.687 1.00 0.00 H new ATOM 0 HG23 VAL A 50 -21.525 0.168 -0.553 1.00 0.00 H new ATOM 708 N ASP A 51 -20.552 -1.400 -2.709 1.00 0.00 N ATOM 709 CA ASP A 51 -21.495 -1.784 -3.745 1.00 0.00 C ATOM 710 C ASP A 51 -22.870 -1.197 -3.420 1.00 0.00 C ATOM 711 O ASP A 51 -23.290 -1.194 -2.264 1.00 0.00 O ATOM 712 CB ASP A 51 -21.637 -3.305 -3.825 1.00 0.00 C ATOM 713 CG ASP A 51 -20.921 -3.960 -5.009 1.00 0.00 C ATOM 714 OD1 ASP A 51 -19.691 -4.151 -4.893 1.00 0.00 O ATOM 715 OD2 ASP A 51 -21.621 -4.255 -6.002 1.00 0.00 O ATOM 0 H ASP A 51 -20.414 -2.098 -1.978 1.00 0.00 H new ATOM 0 HA ASP A 51 -21.122 -1.407 -4.697 1.00 0.00 H new ATOM 0 HB2 ASP A 51 -21.253 -3.740 -2.902 1.00 0.00 H new ATOM 0 HB3 ASP A 51 -22.697 -3.554 -3.878 1.00 0.00 H new ATOM 720 N ILE A 52 -23.533 -0.715 -4.461 1.00 0.00 N ATOM 721 CA ILE A 52 -24.852 -0.127 -4.301 1.00 0.00 C ATOM 722 C ILE A 52 -25.917 -1.183 -4.603 1.00 0.00 C ATOM 723 O ILE A 52 -27.007 -1.151 -4.034 1.00 0.00 O ATOM 724 CB ILE A 52 -24.982 1.138 -5.151 1.00 0.00 C ATOM 725 CG1 ILE A 52 -26.406 1.695 -5.092 1.00 0.00 C ATOM 726 CG2 ILE A 52 -24.526 0.881 -6.589 1.00 0.00 C ATOM 727 CD1 ILE A 52 -26.393 3.212 -4.893 1.00 0.00 C ATOM 0 H ILE A 52 -23.181 -0.720 -5.418 1.00 0.00 H new ATOM 0 HA ILE A 52 -25.003 0.193 -3.270 1.00 0.00 H new ATOM 0 HB ILE A 52 -24.322 1.899 -4.735 1.00 0.00 H new ATOM 0 HG12 ILE A 52 -26.935 1.450 -6.013 1.00 0.00 H new ATOM 0 HG13 ILE A 52 -26.952 1.222 -4.276 1.00 0.00 H new ATOM 0 HG21 ILE A 52 -24.629 1.796 -7.172 1.00 0.00 H new ATOM 0 HG22 ILE A 52 -23.483 0.566 -6.589 1.00 0.00 H new ATOM 0 HG23 ILE A 52 -25.142 0.098 -7.031 1.00 0.00 H new ATOM 0 HD11 ILE A 52 -27.417 3.583 -4.855 1.00 0.00 H new ATOM 0 HD12 ILE A 52 -25.885 3.452 -3.959 1.00 0.00 H new ATOM 0 HD13 ILE A 52 -25.868 3.683 -5.724 1.00 0.00 H new ATOM 739 N VAL A 53 -25.563 -2.094 -5.498 1.00 0.00 N ATOM 740 CA VAL A 53 -26.475 -3.158 -5.883 1.00 0.00 C ATOM 741 C VAL A 53 -26.495 -4.227 -4.789 1.00 0.00 C ATOM 742 O VAL A 53 -27.557 -4.573 -4.273 1.00 0.00 O ATOM 743 CB VAL A 53 -26.083 -3.713 -7.254 1.00 0.00 C ATOM 744 CG1 VAL A 53 -26.073 -2.606 -8.311 1.00 0.00 C ATOM 745 CG2 VAL A 53 -24.729 -4.423 -7.191 1.00 0.00 C ATOM 0 H VAL A 53 -24.658 -2.117 -5.967 1.00 0.00 H new ATOM 0 HA VAL A 53 -27.490 -2.774 -5.981 1.00 0.00 H new ATOM 0 HB VAL A 53 -26.834 -4.448 -7.545 1.00 0.00 H new ATOM 0 HG11 VAL A 53 -25.791 -3.027 -9.276 1.00 0.00 H new ATOM 0 HG12 VAL A 53 -27.067 -2.164 -8.384 1.00 0.00 H new ATOM 0 HG13 VAL A 53 -25.354 -1.838 -8.026 1.00 0.00 H new ATOM 0 HG21 VAL A 53 -24.474 -4.808 -8.178 1.00 0.00 H new ATOM 0 HG22 VAL A 53 -23.963 -3.718 -6.867 1.00 0.00 H new ATOM 0 HG23 VAL A 53 -24.784 -5.249 -6.482 1.00 0.00 H new ATOM 755 N LYS A 54 -25.308 -4.721 -4.467 1.00 0.00 N ATOM 756 CA LYS A 54 -25.176 -5.744 -3.444 1.00 0.00 C ATOM 757 C LYS A 54 -25.234 -5.088 -2.063 1.00 0.00 C ATOM 758 O LYS A 54 -25.333 -5.777 -1.048 1.00 0.00 O ATOM 759 CB LYS A 54 -23.913 -6.576 -3.677 1.00 0.00 C ATOM 760 CG LYS A 54 -24.084 -7.506 -4.880 1.00 0.00 C ATOM 761 CD LYS A 54 -24.522 -8.903 -4.435 1.00 0.00 C ATOM 762 CE LYS A 54 -26.025 -9.100 -4.644 1.00 0.00 C ATOM 763 NZ LYS A 54 -26.290 -10.394 -5.312 1.00 0.00 N ATOM 0 H LYS A 54 -24.429 -4.432 -4.897 1.00 0.00 H new ATOM 0 HA LYS A 54 -26.007 -6.447 -3.499 1.00 0.00 H new ATOM 0 HB2 LYS A 54 -23.063 -5.914 -3.842 1.00 0.00 H new ATOM 0 HB3 LYS A 54 -23.691 -7.164 -2.787 1.00 0.00 H new ATOM 0 HG2 LYS A 54 -24.824 -7.090 -5.564 1.00 0.00 H new ATOM 0 HG3 LYS A 54 -23.145 -7.573 -5.429 1.00 0.00 H new ATOM 0 HD2 LYS A 54 -23.971 -9.657 -4.998 1.00 0.00 H new ATOM 0 HD3 LYS A 54 -24.276 -9.047 -3.383 1.00 0.00 H new ATOM 0 HE2 LYS A 54 -26.539 -9.068 -3.683 1.00 0.00 H new ATOM 0 HE3 LYS A 54 -26.424 -8.284 -5.247 1.00 0.00 H new ATOM 0 HZ1 LYS A 54 -27.315 -10.512 -5.446 1.00 0.00 H new ATOM 0 HZ2 LYS A 54 -25.815 -10.411 -6.237 1.00 0.00 H new ATOM 0 HZ3 LYS A 54 -25.927 -11.170 -4.722 1.00 0.00 H new ATOM 777 N GLY A 55 -25.168 -3.765 -2.068 1.00 0.00 N ATOM 778 CA GLY A 55 -25.211 -3.008 -0.829 1.00 0.00 C ATOM 779 C GLY A 55 -24.146 -3.502 0.153 1.00 0.00 C ATOM 780 O GLY A 55 -24.359 -3.487 1.364 1.00 0.00 O ATOM 0 H GLY A 55 -25.085 -3.197 -2.911 1.00 0.00 H new ATOM 0 HA2 GLY A 55 -25.054 -1.950 -1.039 1.00 0.00 H new ATOM 0 HA3 GLY A 55 -26.198 -3.100 -0.377 1.00 0.00 H new ATOM 784 N THR A 56 -23.024 -3.928 -0.407 1.00 0.00 N ATOM 785 CA THR A 56 -21.925 -4.425 0.403 1.00 0.00 C ATOM 786 C THR A 56 -20.737 -3.463 0.340 1.00 0.00 C ATOM 787 O THR A 56 -20.164 -3.248 -0.727 1.00 0.00 O ATOM 788 CB THR A 56 -21.587 -5.839 -0.074 1.00 0.00 C ATOM 789 OG1 THR A 56 -21.860 -5.807 -1.473 1.00 0.00 O ATOM 790 CG2 THR A 56 -22.558 -6.889 0.470 1.00 0.00 C ATOM 0 H THR A 56 -22.852 -3.939 -1.412 1.00 0.00 H new ATOM 0 HA THR A 56 -22.204 -4.479 1.455 1.00 0.00 H new ATOM 0 HB THR A 56 -20.571 -6.092 0.231 1.00 0.00 H new ATOM 0 HG1 THR A 56 -21.666 -6.684 -1.864 1.00 0.00 H new ATOM 0 HG21 THR A 56 -22.273 -7.874 0.101 1.00 0.00 H new ATOM 0 HG22 THR A 56 -22.524 -6.886 1.559 1.00 0.00 H new ATOM 0 HG23 THR A 56 -23.570 -6.656 0.138 1.00 0.00 H new ATOM 798 N ASN A 57 -20.403 -2.909 1.496 1.00 0.00 N ATOM 799 CA ASN A 57 -19.294 -1.974 1.586 1.00 0.00 C ATOM 800 C ASN A 57 -17.976 -2.748 1.538 1.00 0.00 C ATOM 801 O ASN A 57 -17.949 -3.953 1.786 1.00 0.00 O ATOM 802 CB ASN A 57 -19.337 -1.194 2.901 1.00 0.00 C ATOM 803 CG ASN A 57 -20.543 -0.253 2.941 1.00 0.00 C ATOM 804 OD1 ASN A 57 -21.605 -0.540 2.414 1.00 0.00 O ATOM 805 ND2 ASN A 57 -20.320 0.884 3.595 1.00 0.00 N ATOM 0 H ASN A 57 -20.881 -3.090 2.379 1.00 0.00 H new ATOM 0 HA ASN A 57 -19.371 -1.277 0.751 1.00 0.00 H new ATOM 0 HB2 ASN A 57 -19.386 -1.889 3.739 1.00 0.00 H new ATOM 0 HB3 ASN A 57 -18.418 -0.619 3.017 1.00 0.00 H new ATOM 0 HD21 ASN A 57 -21.062 1.578 3.678 1.00 0.00 H new ATOM 0 HD22 ASN A 57 -19.407 1.061 4.013 1.00 0.00 H new ATOM 812 N SER A 58 -16.913 -2.025 1.217 1.00 0.00 N ATOM 813 CA SER A 58 -15.594 -2.629 1.134 1.00 0.00 C ATOM 814 C SER A 58 -14.517 -1.568 1.370 1.00 0.00 C ATOM 815 O SER A 58 -14.671 -0.419 0.959 1.00 0.00 O ATOM 816 CB SER A 58 -15.383 -3.306 -0.222 1.00 0.00 C ATOM 817 OG SER A 58 -16.445 -4.201 -0.542 1.00 0.00 O ATOM 0 H SER A 58 -16.938 -1.026 1.011 1.00 0.00 H new ATOM 0 HA SER A 58 -15.518 -3.393 1.908 1.00 0.00 H new ATOM 0 HB2 SER A 58 -15.303 -2.545 -0.999 1.00 0.00 H new ATOM 0 HB3 SER A 58 -14.439 -3.852 -0.212 1.00 0.00 H new ATOM 0 HG SER A 58 -16.275 -4.612 -1.415 1.00 0.00 H new ATOM 823 N TYR A 59 -13.450 -1.991 2.032 1.00 0.00 N ATOM 824 CA TYR A 59 -12.348 -1.092 2.328 1.00 0.00 C ATOM 825 C TYR A 59 -11.002 -1.764 2.049 1.00 0.00 C ATOM 826 O TYR A 59 -10.671 -2.778 2.661 1.00 0.00 O ATOM 827 CB TYR A 59 -12.448 -0.780 3.823 1.00 0.00 C ATOM 828 CG TYR A 59 -11.859 -1.866 4.726 1.00 0.00 C ATOM 829 CD1 TYR A 59 -10.511 -1.863 5.020 1.00 0.00 C ATOM 830 CD2 TYR A 59 -12.677 -2.849 5.246 1.00 0.00 C ATOM 831 CE1 TYR A 59 -9.957 -2.885 5.870 1.00 0.00 C ATOM 832 CE2 TYR A 59 -12.123 -3.871 6.096 1.00 0.00 C ATOM 833 CZ TYR A 59 -10.791 -3.838 6.366 1.00 0.00 C ATOM 834 OH TYR A 59 -10.268 -4.804 7.169 1.00 0.00 O ATOM 0 H TYR A 59 -13.325 -2.945 2.372 1.00 0.00 H new ATOM 0 HA TYR A 59 -12.406 -0.197 1.709 1.00 0.00 H new ATOM 0 HB2 TYR A 59 -11.936 0.161 4.022 1.00 0.00 H new ATOM 0 HB3 TYR A 59 -13.496 -0.634 4.084 1.00 0.00 H new ATOM 0 HD1 TYR A 59 -9.871 -1.094 4.613 1.00 0.00 H new ATOM 0 HD2 TYR A 59 -13.732 -2.852 5.015 1.00 0.00 H new ATOM 0 HE1 TYR A 59 -8.904 -2.894 6.108 1.00 0.00 H new ATOM 0 HE2 TYR A 59 -12.751 -4.646 6.510 1.00 0.00 H new ATOM 0 HH TYR A 59 -10.980 -5.416 7.450 1.00 0.00 H new ATOM 844 N TYR A 60 -10.262 -1.171 1.123 1.00 0.00 N ATOM 845 CA TYR A 60 -8.959 -1.699 0.755 1.00 0.00 C ATOM 846 C TYR A 60 -7.841 -0.741 1.171 1.00 0.00 C ATOM 847 O TYR A 60 -7.834 0.421 0.768 1.00 0.00 O ATOM 848 CB TYR A 60 -8.969 -1.821 -0.770 1.00 0.00 C ATOM 849 CG TYR A 60 -7.700 -2.445 -1.353 1.00 0.00 C ATOM 850 CD1 TYR A 60 -6.565 -1.677 -1.515 1.00 0.00 C ATOM 851 CD2 TYR A 60 -7.689 -3.777 -1.716 1.00 0.00 C ATOM 852 CE1 TYR A 60 -5.370 -2.264 -2.064 1.00 0.00 C ATOM 853 CE2 TYR A 60 -6.494 -4.364 -2.265 1.00 0.00 C ATOM 854 CZ TYR A 60 -5.394 -3.578 -2.411 1.00 0.00 C ATOM 855 OH TYR A 60 -4.265 -4.133 -2.929 1.00 0.00 O ATOM 0 H TYR A 60 -10.540 -0.330 0.617 1.00 0.00 H new ATOM 0 HA TYR A 60 -8.778 -2.653 1.250 1.00 0.00 H new ATOM 0 HB2 TYR A 60 -9.828 -2.421 -1.070 1.00 0.00 H new ATOM 0 HB3 TYR A 60 -9.106 -0.830 -1.203 1.00 0.00 H new ATOM 0 HD1 TYR A 60 -6.573 -0.635 -1.230 1.00 0.00 H new ATOM 0 HD2 TYR A 60 -8.577 -4.379 -1.588 1.00 0.00 H new ATOM 0 HE1 TYR A 60 -4.475 -1.674 -2.197 1.00 0.00 H new ATOM 0 HE2 TYR A 60 -6.472 -5.404 -2.554 1.00 0.00 H new ATOM 0 HH TYR A 60 -4.428 -5.078 -3.130 1.00 0.00 H new ATOM 865 N LYS A 61 -6.924 -1.264 1.971 1.00 0.00 N ATOM 866 CA LYS A 61 -5.804 -0.470 2.446 1.00 0.00 C ATOM 867 C LYS A 61 -4.517 -0.963 1.782 1.00 0.00 C ATOM 868 O LYS A 61 -4.285 -2.168 1.689 1.00 0.00 O ATOM 869 CB LYS A 61 -5.750 -0.479 3.975 1.00 0.00 C ATOM 870 CG LYS A 61 -5.901 0.936 4.537 1.00 0.00 C ATOM 871 CD LYS A 61 -4.592 1.718 4.413 1.00 0.00 C ATOM 872 CE LYS A 61 -4.221 2.380 5.741 1.00 0.00 C ATOM 873 NZ LYS A 61 -3.239 3.465 5.523 1.00 0.00 N ATOM 0 H LYS A 61 -6.934 -2.229 2.302 1.00 0.00 H new ATOM 0 HA LYS A 61 -5.930 0.575 2.161 1.00 0.00 H new ATOM 0 HB2 LYS A 61 -6.543 -1.116 4.367 1.00 0.00 H new ATOM 0 HB3 LYS A 61 -4.804 -0.907 4.307 1.00 0.00 H new ATOM 0 HG2 LYS A 61 -6.694 1.460 4.003 1.00 0.00 H new ATOM 0 HG3 LYS A 61 -6.201 0.885 5.584 1.00 0.00 H new ATOM 0 HD2 LYS A 61 -3.792 1.047 4.101 1.00 0.00 H new ATOM 0 HD3 LYS A 61 -4.691 2.479 3.638 1.00 0.00 H new ATOM 0 HE2 LYS A 61 -5.116 2.782 6.216 1.00 0.00 H new ATOM 0 HE3 LYS A 61 -3.805 1.636 6.421 1.00 0.00 H new ATOM 0 HZ1 LYS A 61 -2.884 3.801 6.441 1.00 0.00 H new ATOM 0 HZ2 LYS A 61 -2.445 3.106 4.955 1.00 0.00 H new ATOM 0 HZ3 LYS A 61 -3.697 4.252 5.020 1.00 0.00 H new ATOM 887 N LEU A 62 -3.713 -0.008 1.338 1.00 0.00 N ATOM 888 CA LEU A 62 -2.456 -0.330 0.686 1.00 0.00 C ATOM 889 C LEU A 62 -1.311 0.367 1.423 1.00 0.00 C ATOM 890 O LEU A 62 -1.375 1.567 1.685 1.00 0.00 O ATOM 891 CB LEU A 62 -2.523 0.008 -0.805 1.00 0.00 C ATOM 892 CG LEU A 62 -1.498 -0.693 -1.698 1.00 0.00 C ATOM 893 CD1 LEU A 62 -1.932 -2.126 -2.012 1.00 0.00 C ATOM 894 CD2 LEU A 62 -1.233 0.117 -2.969 1.00 0.00 C ATOM 0 H LEU A 62 -3.908 0.990 1.417 1.00 0.00 H new ATOM 0 HA LEU A 62 -2.264 -1.402 0.738 1.00 0.00 H new ATOM 0 HB2 LEU A 62 -3.521 -0.238 -1.169 1.00 0.00 H new ATOM 0 HB3 LEU A 62 -2.399 1.085 -0.919 1.00 0.00 H new ATOM 0 HG LEU A 62 -0.556 -0.754 -1.153 1.00 0.00 H new ATOM 0 HD11 LEU A 62 -1.185 -2.601 -2.648 1.00 0.00 H new ATOM 0 HD12 LEU A 62 -2.028 -2.689 -1.083 1.00 0.00 H new ATOM 0 HD13 LEU A 62 -2.892 -2.111 -2.528 1.00 0.00 H new ATOM 0 HD21 LEU A 62 -0.501 -0.404 -3.586 1.00 0.00 H new ATOM 0 HD22 LEU A 62 -2.162 0.232 -3.527 1.00 0.00 H new ATOM 0 HD23 LEU A 62 -0.847 1.100 -2.700 1.00 0.00 H new ATOM 906 N GLN A 63 -0.289 -0.416 1.738 1.00 0.00 N ATOM 907 CA GLN A 63 0.869 0.111 2.440 1.00 0.00 C ATOM 908 C GLN A 63 2.119 -0.696 2.083 1.00 0.00 C ATOM 909 O GLN A 63 2.172 -1.902 2.321 1.00 0.00 O ATOM 910 CB GLN A 63 0.636 0.122 3.952 1.00 0.00 C ATOM 911 CG GLN A 63 -0.517 1.056 4.322 1.00 0.00 C ATOM 912 CD GLN A 63 -0.725 1.097 5.838 1.00 0.00 C ATOM 913 OE1 GLN A 63 -1.617 0.471 6.385 1.00 0.00 O ATOM 914 NE2 GLN A 63 0.147 1.868 6.482 1.00 0.00 N ATOM 0 H GLN A 63 -0.239 -1.411 1.520 1.00 0.00 H new ATOM 0 HA GLN A 63 1.023 1.142 2.122 1.00 0.00 H new ATOM 0 HB2 GLN A 63 0.415 -0.888 4.297 1.00 0.00 H new ATOM 0 HB3 GLN A 63 1.545 0.441 4.461 1.00 0.00 H new ATOM 0 HG2 GLN A 63 -0.309 2.060 3.953 1.00 0.00 H new ATOM 0 HG3 GLN A 63 -1.432 0.720 3.835 1.00 0.00 H new ATOM 0 HE21 GLN A 63 0.870 2.365 5.962 1.00 0.00 H new ATOM 0 HE22 GLN A 63 0.093 1.962 7.496 1.00 0.00 H new ATOM 923 N LEU A 64 3.094 0.001 1.519 1.00 0.00 N ATOM 924 CA LEU A 64 4.340 -0.636 1.127 1.00 0.00 C ATOM 925 C LEU A 64 5.378 -0.440 2.235 1.00 0.00 C ATOM 926 O LEU A 64 6.021 0.606 2.310 1.00 0.00 O ATOM 927 CB LEU A 64 4.796 -0.125 -0.240 1.00 0.00 C ATOM 928 CG LEU A 64 5.823 -0.992 -0.972 1.00 0.00 C ATOM 929 CD1 LEU A 64 6.111 -0.439 -2.369 1.00 0.00 C ATOM 930 CD2 LEU A 64 7.099 -1.148 -0.143 1.00 0.00 C ATOM 0 H LEU A 64 3.047 1.001 1.324 1.00 0.00 H new ATOM 0 HA LEU A 64 4.198 -1.710 1.008 1.00 0.00 H new ATOM 0 HB2 LEU A 64 3.918 -0.020 -0.878 1.00 0.00 H new ATOM 0 HB3 LEU A 64 5.218 0.872 -0.111 1.00 0.00 H new ATOM 0 HG LEU A 64 5.399 -1.988 -1.101 1.00 0.00 H new ATOM 0 HD11 LEU A 64 6.844 -1.073 -2.868 1.00 0.00 H new ATOM 0 HD12 LEU A 64 5.189 -0.423 -2.951 1.00 0.00 H new ATOM 0 HD13 LEU A 64 6.505 0.574 -2.285 1.00 0.00 H new ATOM 0 HD21 LEU A 64 7.812 -1.768 -0.686 1.00 0.00 H new ATOM 0 HD22 LEU A 64 7.537 -0.167 0.039 1.00 0.00 H new ATOM 0 HD23 LEU A 64 6.859 -1.620 0.809 1.00 0.00 H new ATOM 942 N LEU A 65 5.509 -1.463 3.066 1.00 0.00 N ATOM 943 CA LEU A 65 6.458 -1.417 4.166 1.00 0.00 C ATOM 944 C LEU A 65 7.861 -1.717 3.636 1.00 0.00 C ATOM 945 O LEU A 65 8.057 -2.682 2.899 1.00 0.00 O ATOM 946 CB LEU A 65 6.015 -2.349 5.295 1.00 0.00 C ATOM 947 CG LEU A 65 4.514 -2.377 5.593 1.00 0.00 C ATOM 948 CD1 LEU A 65 4.173 -3.488 6.587 1.00 0.00 C ATOM 949 CD2 LEU A 65 4.025 -1.009 6.072 1.00 0.00 C ATOM 0 H LEU A 65 4.974 -2.329 3.000 1.00 0.00 H new ATOM 0 HA LEU A 65 6.488 -0.418 4.602 1.00 0.00 H new ATOM 0 HB2 LEU A 65 6.335 -3.362 5.050 1.00 0.00 H new ATOM 0 HB3 LEU A 65 6.540 -2.060 6.205 1.00 0.00 H new ATOM 0 HG LEU A 65 3.986 -2.601 4.666 1.00 0.00 H new ATOM 0 HD11 LEU A 65 3.100 -3.486 6.781 1.00 0.00 H new ATOM 0 HD12 LEU A 65 4.464 -4.452 6.169 1.00 0.00 H new ATOM 0 HD13 LEU A 65 4.711 -3.319 7.520 1.00 0.00 H new ATOM 0 HD21 LEU A 65 2.955 -1.056 6.277 1.00 0.00 H new ATOM 0 HD22 LEU A 65 4.557 -0.731 6.982 1.00 0.00 H new ATOM 0 HD23 LEU A 65 4.214 -0.264 5.299 1.00 0.00 H new ATOM 961 N GLU A 66 8.802 -0.871 4.031 1.00 0.00 N ATOM 962 CA GLU A 66 10.181 -1.034 3.605 1.00 0.00 C ATOM 963 C GLU A 66 11.088 -1.258 4.817 1.00 0.00 C ATOM 964 O GLU A 66 10.731 -0.901 5.939 1.00 0.00 O ATOM 965 CB GLU A 66 10.648 0.172 2.787 1.00 0.00 C ATOM 966 CG GLU A 66 10.833 1.401 3.679 1.00 0.00 C ATOM 967 CD GLU A 66 11.680 2.465 2.978 1.00 0.00 C ATOM 968 OE1 GLU A 66 12.584 2.059 2.215 1.00 0.00 O ATOM 969 OE2 GLU A 66 11.405 3.660 3.220 1.00 0.00 O ATOM 0 H GLU A 66 8.636 -0.071 4.641 1.00 0.00 H new ATOM 0 HA GLU A 66 10.241 -1.913 2.963 1.00 0.00 H new ATOM 0 HB2 GLU A 66 11.588 -0.064 2.288 1.00 0.00 H new ATOM 0 HB3 GLU A 66 9.919 0.391 2.007 1.00 0.00 H new ATOM 0 HG2 GLU A 66 9.859 1.818 3.936 1.00 0.00 H new ATOM 0 HG3 GLU A 66 11.311 1.108 4.613 1.00 0.00 H new ATOM 976 N ASP A 67 12.244 -1.849 4.550 1.00 0.00 N ATOM 977 CA ASP A 67 13.204 -2.125 5.604 1.00 0.00 C ATOM 978 C ASP A 67 13.648 -0.807 6.242 1.00 0.00 C ATOM 979 O ASP A 67 13.755 0.212 5.561 1.00 0.00 O ATOM 980 CB ASP A 67 14.447 -2.822 5.048 1.00 0.00 C ATOM 981 CG ASP A 67 15.148 -2.082 3.907 1.00 0.00 C ATOM 982 OD1 ASP A 67 15.959 -1.185 4.226 1.00 0.00 O ATOM 983 OD2 ASP A 67 14.858 -2.430 2.742 1.00 0.00 O ATOM 0 H ASP A 67 12.537 -2.144 3.619 1.00 0.00 H new ATOM 0 HA ASP A 67 12.723 -2.774 6.336 1.00 0.00 H new ATOM 0 HB2 ASP A 67 15.159 -2.964 5.861 1.00 0.00 H new ATOM 0 HB3 ASP A 67 14.162 -3.814 4.697 1.00 0.00 H new ATOM 988 N ASP A 68 13.893 -0.869 7.543 1.00 0.00 N ATOM 989 CA ASP A 68 14.322 0.306 8.281 1.00 0.00 C ATOM 990 C ASP A 68 15.714 0.725 7.801 1.00 0.00 C ATOM 991 O ASP A 68 15.935 1.887 7.466 1.00 0.00 O ATOM 992 CB ASP A 68 14.408 0.015 9.780 1.00 0.00 C ATOM 993 CG ASP A 68 13.183 0.442 10.592 1.00 0.00 C ATOM 994 OD1 ASP A 68 12.099 0.535 9.978 1.00 0.00 O ATOM 995 OD2 ASP A 68 13.359 0.665 11.810 1.00 0.00 O ATOM 0 H ASP A 68 13.802 -1.716 8.105 1.00 0.00 H new ATOM 0 HA ASP A 68 13.592 1.097 8.108 1.00 0.00 H new ATOM 0 HB2 ASP A 68 14.563 -1.055 9.919 1.00 0.00 H new ATOM 0 HB3 ASP A 68 15.286 0.519 10.183 1.00 0.00 H new ATOM 1051 N ARG A 72 14.961 -4.997 2.359 1.00 0.00 N ATOM 1052 CA ARG A 72 13.806 -5.865 2.203 1.00 0.00 C ATOM 1053 C ARG A 72 12.516 -5.042 2.230 1.00 0.00 C ATOM 1054 O ARG A 72 12.489 -3.942 2.780 1.00 0.00 O ATOM 1055 CB ARG A 72 13.754 -6.917 3.313 1.00 0.00 C ATOM 1056 CG ARG A 72 14.481 -8.195 2.890 1.00 0.00 C ATOM 1057 CD ARG A 72 14.479 -9.227 4.020 1.00 0.00 C ATOM 1058 NE ARG A 72 15.868 -9.607 4.360 1.00 0.00 N ATOM 1059 CZ ARG A 72 16.193 -10.477 5.326 1.00 0.00 C ATOM 1060 NH1 ARG A 72 15.232 -11.061 6.054 1.00 0.00 N ATOM 1061 NH2 ARG A 72 17.481 -10.763 5.565 1.00 0.00 N ATOM 0 HA ARG A 72 13.899 -6.371 1.242 1.00 0.00 H new ATOM 0 HB2 ARG A 72 14.210 -6.518 4.219 1.00 0.00 H new ATOM 0 HB3 ARG A 72 12.716 -7.147 3.553 1.00 0.00 H new ATOM 0 HG2 ARG A 72 14.000 -8.616 2.007 1.00 0.00 H new ATOM 0 HG3 ARG A 72 15.508 -7.958 2.611 1.00 0.00 H new ATOM 0 HD2 ARG A 72 13.980 -8.816 4.898 1.00 0.00 H new ATOM 0 HD3 ARG A 72 13.916 -10.109 3.717 1.00 0.00 H new ATOM 0 HE ARG A 72 16.625 -9.180 3.826 1.00 0.00 H new ATOM 0 HH11 ARG A 72 14.252 -10.844 5.873 1.00 0.00 H new ATOM 0 HH12 ARG A 72 15.480 -11.723 6.789 1.00 0.00 H new ATOM 0 HH21 ARG A 72 18.213 -10.318 5.012 1.00 0.00 H new ATOM 0 HH22 ARG A 72 17.728 -11.425 6.300 1.00 0.00 H new ATOM 1075 N TYR A 73 11.479 -5.606 1.629 1.00 0.00 N ATOM 1076 CA TYR A 73 10.190 -4.939 1.576 1.00 0.00 C ATOM 1077 C TYR A 73 9.045 -5.951 1.656 1.00 0.00 C ATOM 1078 O TYR A 73 9.257 -7.149 1.474 1.00 0.00 O ATOM 1079 CB TYR A 73 10.136 -4.231 0.221 1.00 0.00 C ATOM 1080 CG TYR A 73 11.118 -3.066 0.088 1.00 0.00 C ATOM 1081 CD1 TYR A 73 12.460 -3.315 -0.117 1.00 0.00 C ATOM 1082 CD2 TYR A 73 10.662 -1.766 0.172 1.00 0.00 C ATOM 1083 CE1 TYR A 73 13.385 -2.218 -0.242 1.00 0.00 C ATOM 1084 CE2 TYR A 73 11.587 -0.669 0.046 1.00 0.00 C ATOM 1085 CZ TYR A 73 12.903 -0.950 -0.155 1.00 0.00 C ATOM 1086 OH TYR A 73 13.776 0.086 -0.273 1.00 0.00 O ATOM 0 H TYR A 73 11.506 -6.519 1.174 1.00 0.00 H new ATOM 0 HA TYR A 73 10.081 -4.249 2.412 1.00 0.00 H new ATOM 0 HB2 TYR A 73 10.341 -4.957 -0.565 1.00 0.00 H new ATOM 0 HB3 TYR A 73 9.124 -3.860 0.056 1.00 0.00 H new ATOM 0 HD1 TYR A 73 12.816 -4.332 -0.184 1.00 0.00 H new ATOM 0 HD2 TYR A 73 9.612 -1.571 0.332 1.00 0.00 H new ATOM 0 HE1 TYR A 73 14.438 -2.399 -0.401 1.00 0.00 H new ATOM 0 HE2 TYR A 73 11.244 0.353 0.110 1.00 0.00 H new ATOM 0 HH TYR A 73 14.622 -0.240 -0.644 1.00 0.00 H new ATOM 1096 N TRP A 74 7.857 -5.432 1.928 1.00 0.00 N ATOM 1097 CA TRP A 74 6.678 -6.275 2.035 1.00 0.00 C ATOM 1098 C TRP A 74 5.509 -5.537 1.380 1.00 0.00 C ATOM 1099 O TRP A 74 5.530 -4.313 1.262 1.00 0.00 O ATOM 1100 CB TRP A 74 6.405 -6.655 3.491 1.00 0.00 C ATOM 1101 CG TRP A 74 7.385 -7.683 4.060 1.00 0.00 C ATOM 1102 CD1 TRP A 74 7.272 -9.018 4.060 1.00 0.00 C ATOM 1103 CD2 TRP A 74 8.639 -7.404 4.717 1.00 0.00 C ATOM 1104 NE1 TRP A 74 8.358 -9.618 4.666 1.00 0.00 N ATOM 1105 CE2 TRP A 74 9.215 -8.605 5.078 1.00 0.00 C ATOM 1106 CE3 TRP A 74 9.267 -6.177 4.997 1.00 0.00 C ATOM 1107 CZ2 TRP A 74 10.446 -8.696 5.739 1.00 0.00 C ATOM 1108 CZ3 TRP A 74 10.496 -6.286 5.658 1.00 0.00 C ATOM 1109 CH2 TRP A 74 11.089 -7.487 6.028 1.00 0.00 C ATOM 0 H TRP A 74 7.685 -4.438 2.078 1.00 0.00 H new ATOM 0 HA TRP A 74 6.830 -7.219 1.513 1.00 0.00 H new ATOM 0 HB2 TRP A 74 6.442 -5.754 4.104 1.00 0.00 H new ATOM 0 HB3 TRP A 74 5.393 -7.052 3.569 1.00 0.00 H new ATOM 0 HD1 TRP A 74 6.436 -9.557 3.639 1.00 0.00 H new ATOM 0 HE1 TRP A 74 8.504 -10.620 4.789 1.00 0.00 H new ATOM 0 HE3 TRP A 74 8.835 -5.226 4.724 1.00 0.00 H new ATOM 0 HZ2 TRP A 74 10.876 -9.648 6.011 1.00 0.00 H new ATOM 0 HZ3 TRP A 74 11.020 -5.373 5.897 1.00 0.00 H new ATOM 0 HH2 TRP A 74 12.042 -7.487 6.536 1.00 0.00 H new ATOM 1120 N ILE A 75 4.515 -6.313 0.972 1.00 0.00 N ATOM 1121 CA ILE A 75 3.339 -5.748 0.332 1.00 0.00 C ATOM 1122 C ILE A 75 2.096 -6.117 1.144 1.00 0.00 C ATOM 1123 O ILE A 75 1.592 -7.235 1.042 1.00 0.00 O ATOM 1124 CB ILE A 75 3.267 -6.180 -1.134 1.00 0.00 C ATOM 1125 CG1 ILE A 75 4.314 -5.446 -1.974 1.00 0.00 C ATOM 1126 CG2 ILE A 75 1.853 -5.997 -1.690 1.00 0.00 C ATOM 1127 CD1 ILE A 75 3.794 -4.080 -2.426 1.00 0.00 C ATOM 0 H ILE A 75 4.500 -7.328 1.072 1.00 0.00 H new ATOM 0 HA ILE A 75 3.399 -4.660 0.316 1.00 0.00 H new ATOM 0 HB ILE A 75 3.499 -7.244 -1.189 1.00 0.00 H new ATOM 0 HG12 ILE A 75 5.227 -5.317 -1.393 1.00 0.00 H new ATOM 0 HG13 ILE A 75 4.573 -6.047 -2.846 1.00 0.00 H new ATOM 0 HG21 ILE A 75 1.829 -6.311 -2.733 1.00 0.00 H new ATOM 0 HG22 ILE A 75 1.154 -6.602 -1.113 1.00 0.00 H new ATOM 0 HG23 ILE A 75 1.568 -4.947 -1.621 1.00 0.00 H new ATOM 0 HD11 ILE A 75 4.557 -3.579 -3.021 1.00 0.00 H new ATOM 0 HD12 ILE A 75 2.895 -4.214 -3.027 1.00 0.00 H new ATOM 0 HD13 ILE A 75 3.559 -3.473 -1.552 1.00 0.00 H new ATOM 1139 N PHE A 76 1.637 -5.157 1.933 1.00 0.00 N ATOM 1140 CA PHE A 76 0.462 -5.367 2.762 1.00 0.00 C ATOM 1141 C PHE A 76 -0.810 -4.936 2.029 1.00 0.00 C ATOM 1142 O PHE A 76 -0.822 -3.912 1.347 1.00 0.00 O ATOM 1143 CB PHE A 76 0.635 -4.500 4.010 1.00 0.00 C ATOM 1144 CG PHE A 76 -0.545 -4.567 4.983 1.00 0.00 C ATOM 1145 CD1 PHE A 76 -0.564 -5.508 5.964 1.00 0.00 C ATOM 1146 CD2 PHE A 76 -1.574 -3.685 4.865 1.00 0.00 C ATOM 1147 CE1 PHE A 76 -1.659 -5.569 6.867 1.00 0.00 C ATOM 1148 CE2 PHE A 76 -2.668 -3.747 5.767 1.00 0.00 C ATOM 1149 CZ PHE A 76 -2.688 -4.688 6.749 1.00 0.00 C ATOM 0 H PHE A 76 2.058 -4.231 2.016 1.00 0.00 H new ATOM 0 HA PHE A 76 0.366 -6.424 3.011 1.00 0.00 H new ATOM 0 HB2 PHE A 76 1.541 -4.809 4.532 1.00 0.00 H new ATOM 0 HB3 PHE A 76 0.781 -3.464 3.703 1.00 0.00 H new ATOM 0 HD1 PHE A 76 0.253 -6.209 6.057 1.00 0.00 H new ATOM 0 HD2 PHE A 76 -1.558 -2.938 4.085 1.00 0.00 H new ATOM 0 HE1 PHE A 76 -1.674 -6.315 7.647 1.00 0.00 H new ATOM 0 HE2 PHE A 76 -3.485 -3.047 5.674 1.00 0.00 H new ATOM 0 HZ PHE A 76 -3.521 -4.735 7.435 1.00 0.00 H new ATOM 1159 N ARG A 77 -1.851 -5.740 2.194 1.00 0.00 N ATOM 1160 CA ARG A 77 -3.125 -5.455 1.556 1.00 0.00 C ATOM 1161 C ARG A 77 -4.280 -5.857 2.475 1.00 0.00 C ATOM 1162 O ARG A 77 -4.250 -6.926 3.084 1.00 0.00 O ATOM 1163 CB ARG A 77 -3.256 -6.202 0.227 1.00 0.00 C ATOM 1164 CG ARG A 77 -1.895 -6.344 -0.458 1.00 0.00 C ATOM 1165 CD ARG A 77 -1.988 -7.264 -1.676 1.00 0.00 C ATOM 1166 NE ARG A 77 -0.729 -8.026 -1.833 1.00 0.00 N ATOM 1167 CZ ARG A 77 -0.368 -8.657 -2.958 1.00 0.00 C ATOM 1168 NH1 ARG A 77 -1.167 -8.622 -4.033 1.00 0.00 N ATOM 1169 NH2 ARG A 77 0.794 -9.324 -3.009 1.00 0.00 N ATOM 0 H ARG A 77 -1.838 -6.588 2.760 1.00 0.00 H new ATOM 0 HA ARG A 77 -3.166 -4.383 1.362 1.00 0.00 H new ATOM 0 HB2 ARG A 77 -3.684 -7.189 0.401 1.00 0.00 H new ATOM 0 HB3 ARG A 77 -3.943 -5.667 -0.429 1.00 0.00 H new ATOM 0 HG2 ARG A 77 -1.535 -5.362 -0.766 1.00 0.00 H new ATOM 0 HG3 ARG A 77 -1.168 -6.743 0.249 1.00 0.00 H new ATOM 0 HD2 ARG A 77 -2.826 -7.951 -1.560 1.00 0.00 H new ATOM 0 HD3 ARG A 77 -2.180 -6.675 -2.573 1.00 0.00 H new ATOM 0 HE ARG A 77 -0.096 -8.074 -1.034 1.00 0.00 H new ATOM 0 HH11 ARG A 77 -2.051 -8.115 -3.995 1.00 0.00 H new ATOM 0 HH12 ARG A 77 -0.891 -9.103 -4.889 1.00 0.00 H new ATOM 0 HH21 ARG A 77 1.403 -9.351 -2.191 1.00 0.00 H new ATOM 0 HH22 ARG A 77 1.069 -9.805 -3.866 1.00 0.00 H new ATOM 1183 N SER A 78 -5.271 -4.981 2.547 1.00 0.00 N ATOM 1184 CA SER A 78 -6.433 -5.231 3.381 1.00 0.00 C ATOM 1185 C SER A 78 -7.707 -5.173 2.535 1.00 0.00 C ATOM 1186 O SER A 78 -7.728 -4.540 1.481 1.00 0.00 O ATOM 1187 CB SER A 78 -6.513 -4.225 4.531 1.00 0.00 C ATOM 1188 OG SER A 78 -7.399 -3.148 4.238 1.00 0.00 O ATOM 0 H SER A 78 -5.293 -4.096 2.040 1.00 0.00 H new ATOM 0 HA SER A 78 -6.336 -6.227 3.812 1.00 0.00 H new ATOM 0 HB2 SER A 78 -6.848 -4.734 5.435 1.00 0.00 H new ATOM 0 HB3 SER A 78 -5.518 -3.830 4.737 1.00 0.00 H new ATOM 0 HG SER A 78 -8.287 -3.347 4.601 1.00 0.00 H new ATOM 1194 N TRP A 79 -8.739 -5.841 3.030 1.00 0.00 N ATOM 1195 CA TRP A 79 -10.013 -5.873 2.332 1.00 0.00 C ATOM 1196 C TRP A 79 -11.048 -6.500 3.268 1.00 0.00 C ATOM 1197 O TRP A 79 -10.764 -7.491 3.940 1.00 0.00 O ATOM 1198 CB TRP A 79 -9.890 -6.610 0.997 1.00 0.00 C ATOM 1199 CG TRP A 79 -9.539 -8.093 1.135 1.00 0.00 C ATOM 1200 CD1 TRP A 79 -10.341 -9.099 1.509 1.00 0.00 C ATOM 1201 CD2 TRP A 79 -8.254 -8.699 0.884 1.00 0.00 C ATOM 1202 NE1 TRP A 79 -9.670 -10.305 1.517 1.00 0.00 N ATOM 1203 CE2 TRP A 79 -8.360 -10.054 1.125 1.00 0.00 C ATOM 1204 CE3 TRP A 79 -7.041 -8.123 0.468 1.00 0.00 C ATOM 1205 CZ2 TRP A 79 -7.291 -10.946 0.977 1.00 0.00 C ATOM 1206 CZ3 TRP A 79 -5.982 -9.027 0.324 1.00 0.00 C ATOM 1207 CH2 TRP A 79 -6.073 -10.393 0.563 1.00 0.00 C ATOM 0 H TRP A 79 -8.719 -6.364 3.906 1.00 0.00 H new ATOM 0 HA TRP A 79 -10.339 -4.864 2.077 1.00 0.00 H new ATOM 0 HB2 TRP A 79 -10.831 -6.519 0.455 1.00 0.00 H new ATOM 0 HB3 TRP A 79 -9.126 -6.121 0.393 1.00 0.00 H new ATOM 0 HD1 TRP A 79 -11.382 -8.981 1.771 1.00 0.00 H new ATOM 0 HE1 TRP A 79 -10.063 -11.213 1.765 1.00 0.00 H new ATOM 0 HE3 TRP A 79 -6.935 -7.066 0.275 1.00 0.00 H new ATOM 0 HZ2 TRP A 79 -7.400 -12.003 1.172 1.00 0.00 H new ATOM 0 HZ3 TRP A 79 -5.027 -8.636 0.005 1.00 0.00 H new ATOM 0 HH2 TRP A 79 -5.208 -11.026 0.430 1.00 0.00 H new ATOM 1218 N GLY A 80 -12.228 -5.898 3.282 1.00 0.00 N ATOM 1219 CA GLY A 80 -13.307 -6.385 4.124 1.00 0.00 C ATOM 1220 C GLY A 80 -14.667 -5.931 3.591 1.00 0.00 C ATOM 1221 O GLY A 80 -14.822 -5.697 2.393 1.00 0.00 O ATOM 0 H GLY A 80 -12.461 -5.077 2.723 1.00 0.00 H new ATOM 0 HA2 GLY A 80 -13.275 -7.474 4.169 1.00 0.00 H new ATOM 0 HA3 GLY A 80 -13.171 -6.020 5.142 1.00 0.00 H new ATOM 1225 N ARG A 81 -15.619 -5.820 4.506 1.00 0.00 N ATOM 1226 CA ARG A 81 -16.961 -5.398 4.142 1.00 0.00 C ATOM 1227 C ARG A 81 -17.351 -4.140 4.921 1.00 0.00 C ATOM 1228 O ARG A 81 -18.466 -3.640 4.781 1.00 0.00 O ATOM 1229 CB ARG A 81 -17.982 -6.502 4.426 1.00 0.00 C ATOM 1230 CG ARG A 81 -17.293 -7.859 4.580 1.00 0.00 C ATOM 1231 CD ARG A 81 -17.297 -8.629 3.258 1.00 0.00 C ATOM 1232 NE ARG A 81 -17.087 -10.072 3.512 1.00 0.00 N ATOM 1233 CZ ARG A 81 -16.906 -10.986 2.549 1.00 0.00 C ATOM 1234 NH1 ARG A 81 -16.907 -10.613 1.263 1.00 0.00 N ATOM 1235 NH2 ARG A 81 -16.723 -12.273 2.873 1.00 0.00 N ATOM 0 H ARG A 81 -15.488 -6.015 5.499 1.00 0.00 H new ATOM 0 HA ARG A 81 -16.963 -5.184 3.073 1.00 0.00 H new ATOM 0 HB2 ARG A 81 -18.535 -6.266 5.335 1.00 0.00 H new ATOM 0 HB3 ARG A 81 -18.708 -6.549 3.614 1.00 0.00 H new ATOM 0 HG2 ARG A 81 -16.267 -7.714 4.917 1.00 0.00 H new ATOM 0 HG3 ARG A 81 -17.801 -8.444 5.347 1.00 0.00 H new ATOM 0 HD2 ARG A 81 -18.245 -8.476 2.742 1.00 0.00 H new ATOM 0 HD3 ARG A 81 -16.513 -8.249 2.604 1.00 0.00 H new ATOM 0 HE ARG A 81 -17.080 -10.391 4.481 1.00 0.00 H new ATOM 0 HH11 ARG A 81 -17.046 -9.633 1.016 1.00 0.00 H new ATOM 0 HH12 ARG A 81 -16.769 -11.309 0.530 1.00 0.00 H new ATOM 0 HH21 ARG A 81 -16.721 -12.557 3.853 1.00 0.00 H new ATOM 0 HH22 ARG A 81 -16.585 -12.969 2.140 1.00 0.00 H new ATOM 1328 N SER A 88 -9.653 -9.297 6.560 1.00 0.00 N ATOM 1329 CA SER A 88 -8.656 -10.110 5.884 1.00 0.00 C ATOM 1330 C SER A 88 -7.543 -9.219 5.329 1.00 0.00 C ATOM 1331 O SER A 88 -7.816 -8.178 4.732 1.00 0.00 O ATOM 1332 CB SER A 88 -9.288 -10.933 4.760 1.00 0.00 C ATOM 1333 OG SER A 88 -10.116 -11.977 5.263 1.00 0.00 O ATOM 0 HA SER A 88 -8.230 -10.803 6.609 1.00 0.00 H new ATOM 0 HB2 SER A 88 -9.879 -10.278 4.120 1.00 0.00 H new ATOM 0 HB3 SER A 88 -8.502 -11.362 4.138 1.00 0.00 H new ATOM 0 HG SER A 88 -10.502 -12.478 4.514 1.00 0.00 H new ATOM 1339 N ASN A 89 -6.313 -9.659 5.546 1.00 0.00 N ATOM 1340 CA ASN A 89 -5.157 -8.915 5.075 1.00 0.00 C ATOM 1341 C ASN A 89 -4.146 -9.885 4.461 1.00 0.00 C ATOM 1342 O ASN A 89 -4.190 -11.085 4.730 1.00 0.00 O ATOM 1343 CB ASN A 89 -4.469 -8.180 6.226 1.00 0.00 C ATOM 1344 CG ASN A 89 -3.719 -9.160 7.132 1.00 0.00 C ATOM 1345 OD1 ASN A 89 -2.501 -9.201 7.172 1.00 0.00 O ATOM 1346 ND2 ASN A 89 -4.514 -9.944 7.854 1.00 0.00 N ATOM 0 H ASN A 89 -6.091 -10.522 6.042 1.00 0.00 H new ATOM 0 HA ASN A 89 -5.501 -8.189 4.338 1.00 0.00 H new ATOM 0 HB2 ASN A 89 -3.773 -7.442 5.827 1.00 0.00 H new ATOM 0 HB3 ASN A 89 -5.211 -7.635 6.809 1.00 0.00 H new ATOM 0 HD21 ASN A 89 -4.111 -10.632 8.490 1.00 0.00 H new ATOM 0 HD22 ASN A 89 -5.527 -9.857 7.772 1.00 0.00 H new ATOM 1353 N LYS A 90 -3.260 -9.330 3.648 1.00 0.00 N ATOM 1354 CA LYS A 90 -2.239 -10.132 2.994 1.00 0.00 C ATOM 1355 C LYS A 90 -0.869 -9.491 3.222 1.00 0.00 C ATOM 1356 O LYS A 90 -0.753 -8.267 3.274 1.00 0.00 O ATOM 1357 CB LYS A 90 -2.584 -10.337 1.517 1.00 0.00 C ATOM 1358 CG LYS A 90 -1.406 -10.952 0.759 1.00 0.00 C ATOM 1359 CD LYS A 90 -1.892 -11.783 -0.429 1.00 0.00 C ATOM 1360 CE LYS A 90 -1.595 -11.074 -1.752 1.00 0.00 C ATOM 1361 NZ LYS A 90 -1.899 -11.963 -2.896 1.00 0.00 N ATOM 0 H LYS A 90 -3.227 -8.335 3.427 1.00 0.00 H new ATOM 0 HA LYS A 90 -2.201 -11.130 3.431 1.00 0.00 H new ATOM 0 HB2 LYS A 90 -3.456 -10.986 1.430 1.00 0.00 H new ATOM 0 HB3 LYS A 90 -2.852 -9.381 1.066 1.00 0.00 H new ATOM 0 HG2 LYS A 90 -0.743 -10.162 0.407 1.00 0.00 H new ATOM 0 HG3 LYS A 90 -0.824 -11.580 1.433 1.00 0.00 H new ATOM 0 HD2 LYS A 90 -1.406 -12.759 -0.418 1.00 0.00 H new ATOM 0 HD3 LYS A 90 -2.964 -11.960 -0.340 1.00 0.00 H new ATOM 0 HE2 LYS A 90 -2.189 -10.163 -1.824 1.00 0.00 H new ATOM 0 HE3 LYS A 90 -0.547 -10.775 -1.784 1.00 0.00 H new ATOM 0 HZ1 LYS A 90 -1.692 -11.467 -3.786 1.00 0.00 H new ATOM 0 HZ2 LYS A 90 -1.314 -12.821 -2.834 1.00 0.00 H new ATOM 0 HZ3 LYS A 90 -2.905 -12.227 -2.873 1.00 0.00 H new ATOM 1375 N LEU A 91 0.134 -10.346 3.352 1.00 0.00 N ATOM 1376 CA LEU A 91 1.492 -9.878 3.574 1.00 0.00 C ATOM 1377 C LEU A 91 2.458 -10.710 2.728 1.00 0.00 C ATOM 1378 O LEU A 91 2.618 -11.907 2.960 1.00 0.00 O ATOM 1379 CB LEU A 91 1.823 -9.881 5.068 1.00 0.00 C ATOM 1380 CG LEU A 91 3.156 -9.241 5.461 1.00 0.00 C ATOM 1381 CD1 LEU A 91 3.081 -7.716 5.365 1.00 0.00 C ATOM 1382 CD2 LEU A 91 3.599 -9.707 6.849 1.00 0.00 C ATOM 0 H LEU A 91 0.034 -11.360 3.308 1.00 0.00 H new ATOM 0 HA LEU A 91 1.595 -8.842 3.251 1.00 0.00 H new ATOM 0 HB2 LEU A 91 1.024 -9.363 5.598 1.00 0.00 H new ATOM 0 HB3 LEU A 91 1.821 -10.913 5.418 1.00 0.00 H new ATOM 0 HG LEU A 91 3.916 -9.571 4.753 1.00 0.00 H new ATOM 0 HD11 LEU A 91 4.041 -7.286 5.650 1.00 0.00 H new ATOM 0 HD12 LEU A 91 2.843 -7.427 4.341 1.00 0.00 H new ATOM 0 HD13 LEU A 91 2.305 -7.347 6.036 1.00 0.00 H new ATOM 0 HD21 LEU A 91 4.549 -9.238 7.104 1.00 0.00 H new ATOM 0 HD22 LEU A 91 2.846 -9.426 7.585 1.00 0.00 H new ATOM 0 HD23 LEU A 91 3.718 -10.790 6.848 1.00 0.00 H new ATOM 1394 N GLU A 92 3.077 -10.043 1.765 1.00 0.00 N ATOM 1395 CA GLU A 92 4.023 -10.706 0.884 1.00 0.00 C ATOM 1396 C GLU A 92 5.368 -9.977 0.904 1.00 0.00 C ATOM 1397 O GLU A 92 5.412 -8.751 0.998 1.00 0.00 O ATOM 1398 CB GLU A 92 3.471 -10.800 -0.540 1.00 0.00 C ATOM 1399 CG GLU A 92 2.670 -12.089 -0.734 1.00 0.00 C ATOM 1400 CD GLU A 92 3.595 -13.307 -0.782 1.00 0.00 C ATOM 1401 OE1 GLU A 92 4.645 -13.196 -1.451 1.00 0.00 O ATOM 1402 OE2 GLU A 92 3.231 -14.322 -0.149 1.00 0.00 O ATOM 0 H GLU A 92 2.942 -9.050 1.576 1.00 0.00 H new ATOM 0 HA GLU A 92 4.178 -11.722 1.247 1.00 0.00 H new ATOM 0 HB2 GLU A 92 2.836 -9.938 -0.745 1.00 0.00 H new ATOM 0 HB3 GLU A 92 4.293 -10.767 -1.255 1.00 0.00 H new ATOM 0 HG2 GLU A 92 1.955 -12.203 0.080 1.00 0.00 H new ATOM 0 HG3 GLU A 92 2.094 -12.028 -1.658 1.00 0.00 H new ATOM 1409 N GLN A 93 6.431 -10.762 0.813 1.00 0.00 N ATOM 1410 CA GLN A 93 7.774 -10.206 0.820 1.00 0.00 C ATOM 1411 C GLN A 93 8.256 -9.965 -0.612 1.00 0.00 C ATOM 1412 O GLN A 93 8.153 -10.849 -1.462 1.00 0.00 O ATOM 1413 CB GLN A 93 8.741 -11.118 1.578 1.00 0.00 C ATOM 1414 CG GLN A 93 9.995 -10.354 2.004 1.00 0.00 C ATOM 1415 CD GLN A 93 11.231 -10.872 1.265 1.00 0.00 C ATOM 1416 OE1 GLN A 93 11.565 -10.432 0.177 1.00 0.00 O ATOM 1417 NE2 GLN A 93 11.888 -11.828 1.915 1.00 0.00 N ATOM 0 H GLN A 93 6.390 -11.778 0.734 1.00 0.00 H new ATOM 0 HA GLN A 93 7.747 -9.248 1.340 1.00 0.00 H new ATOM 0 HB2 GLN A 93 8.245 -11.529 2.457 1.00 0.00 H new ATOM 0 HB3 GLN A 93 9.021 -11.961 0.947 1.00 0.00 H new ATOM 0 HG2 GLN A 93 9.864 -9.291 1.800 1.00 0.00 H new ATOM 0 HG3 GLN A 93 10.140 -10.457 3.079 1.00 0.00 H new ATOM 0 HE21 GLN A 93 11.553 -12.150 2.823 1.00 0.00 H new ATOM 0 HE22 GLN A 93 12.727 -12.239 1.505 1.00 0.00 H new ATOM 1426 N MET A 94 8.771 -8.765 -0.835 1.00 0.00 N ATOM 1427 CA MET A 94 9.269 -8.397 -2.149 1.00 0.00 C ATOM 1428 C MET A 94 10.782 -8.607 -2.241 1.00 0.00 C ATOM 1429 O MET A 94 11.496 -8.442 -1.253 1.00 0.00 O ATOM 1430 CB MET A 94 8.939 -6.929 -2.428 1.00 0.00 C ATOM 1431 CG MET A 94 7.508 -6.778 -2.948 1.00 0.00 C ATOM 1432 SD MET A 94 7.472 -7.028 -4.715 1.00 0.00 S ATOM 1433 CE MET A 94 6.202 -8.277 -4.825 1.00 0.00 C ATOM 0 H MET A 94 8.854 -8.035 -0.128 1.00 0.00 H new ATOM 0 HA MET A 94 8.787 -9.034 -2.891 1.00 0.00 H new ATOM 0 HB2 MET A 94 9.062 -6.345 -1.516 1.00 0.00 H new ATOM 0 HB3 MET A 94 9.640 -6.528 -3.160 1.00 0.00 H new ATOM 0 HG2 MET A 94 6.856 -7.500 -2.457 1.00 0.00 H new ATOM 0 HG3 MET A 94 7.126 -5.786 -2.705 1.00 0.00 H new ATOM 0 HE1 MET A 94 6.051 -8.551 -5.869 1.00 0.00 H new ATOM 0 HE2 MET A 94 6.507 -9.157 -4.259 1.00 0.00 H new ATOM 0 HE3 MET A 94 5.271 -7.887 -4.414 1.00 0.00 H new ATOM 1443 N PRO A 95 11.237 -8.978 -3.468 1.00 0.00 N ATOM 1444 CA PRO A 95 12.652 -9.212 -3.701 1.00 0.00 C ATOM 1445 C PRO A 95 13.421 -7.891 -3.777 1.00 0.00 C ATOM 1446 O PRO A 95 14.444 -7.727 -3.114 1.00 0.00 O ATOM 1447 CB PRO A 95 12.710 -10.008 -4.995 1.00 0.00 C ATOM 1448 CG PRO A 95 11.370 -9.791 -5.679 1.00 0.00 C ATOM 1449 CD PRO A 95 10.420 -9.183 -4.660 1.00 0.00 C ATOM 0 HA PRO A 95 13.127 -9.761 -2.888 1.00 0.00 H new ATOM 0 HB2 PRO A 95 13.530 -9.667 -5.627 1.00 0.00 H new ATOM 0 HB3 PRO A 95 12.880 -11.066 -4.795 1.00 0.00 H new ATOM 0 HG2 PRO A 95 11.483 -9.130 -6.538 1.00 0.00 H new ATOM 0 HG3 PRO A 95 10.975 -10.735 -6.053 1.00 0.00 H new ATOM 0 HD2 PRO A 95 10.002 -8.243 -5.020 1.00 0.00 H new ATOM 0 HD3 PRO A 95 9.581 -9.848 -4.455 1.00 0.00 H new ATOM 1457 N SER A 96 12.899 -6.985 -4.589 1.00 0.00 N ATOM 1458 CA SER A 96 13.524 -5.684 -4.760 1.00 0.00 C ATOM 1459 C SER A 96 12.563 -4.580 -4.316 1.00 0.00 C ATOM 1460 O SER A 96 11.373 -4.827 -4.124 1.00 0.00 O ATOM 1461 CB SER A 96 13.950 -5.464 -6.212 1.00 0.00 C ATOM 1462 OG SER A 96 15.221 -4.825 -6.305 1.00 0.00 O ATOM 0 H SER A 96 12.050 -7.125 -5.136 1.00 0.00 H new ATOM 0 HA SER A 96 14.419 -5.650 -4.138 1.00 0.00 H new ATOM 0 HB2 SER A 96 13.988 -6.423 -6.728 1.00 0.00 H new ATOM 0 HB3 SER A 96 13.201 -4.858 -6.722 1.00 0.00 H new ATOM 0 HG SER A 96 15.458 -4.704 -7.248 1.00 0.00 H new ATOM 1468 N LYS A 97 13.114 -3.384 -4.165 1.00 0.00 N ATOM 1469 CA LYS A 97 12.321 -2.241 -3.747 1.00 0.00 C ATOM 1470 C LYS A 97 11.345 -1.867 -4.865 1.00 0.00 C ATOM 1471 O LYS A 97 10.188 -1.546 -4.601 1.00 0.00 O ATOM 1472 CB LYS A 97 13.229 -1.089 -3.312 1.00 0.00 C ATOM 1473 CG LYS A 97 12.423 0.194 -3.101 1.00 0.00 C ATOM 1474 CD LYS A 97 12.974 1.335 -3.959 1.00 0.00 C ATOM 1475 CE LYS A 97 13.033 2.640 -3.163 1.00 0.00 C ATOM 1476 NZ LYS A 97 12.572 3.775 -3.993 1.00 0.00 N ATOM 0 H LYS A 97 14.101 -3.182 -4.325 1.00 0.00 H new ATOM 0 HA LYS A 97 11.722 -2.492 -2.871 1.00 0.00 H new ATOM 0 HB2 LYS A 97 13.744 -1.355 -2.389 1.00 0.00 H new ATOM 0 HB3 LYS A 97 13.996 -0.921 -4.068 1.00 0.00 H new ATOM 0 HG2 LYS A 97 11.378 0.017 -3.353 1.00 0.00 H new ATOM 0 HG3 LYS A 97 12.453 0.478 -2.049 1.00 0.00 H new ATOM 0 HD2 LYS A 97 13.971 1.077 -4.316 1.00 0.00 H new ATOM 0 HD3 LYS A 97 12.345 1.470 -4.839 1.00 0.00 H new ATOM 0 HE2 LYS A 97 12.411 2.558 -2.272 1.00 0.00 H new ATOM 0 HE3 LYS A 97 14.053 2.820 -2.824 1.00 0.00 H new ATOM 0 HZ1 LYS A 97 12.123 4.490 -3.385 1.00 0.00 H new ATOM 0 HZ2 LYS A 97 13.385 4.199 -4.484 1.00 0.00 H new ATOM 0 HZ3 LYS A 97 11.883 3.435 -4.694 1.00 0.00 H new ATOM 1490 N GLU A 98 11.849 -1.921 -6.089 1.00 0.00 N ATOM 1491 CA GLU A 98 11.037 -1.591 -7.248 1.00 0.00 C ATOM 1492 C GLU A 98 9.884 -2.588 -7.388 1.00 0.00 C ATOM 1493 O GLU A 98 8.727 -2.190 -7.520 1.00 0.00 O ATOM 1494 CB GLU A 98 11.886 -1.553 -8.520 1.00 0.00 C ATOM 1495 CG GLU A 98 12.884 -0.394 -8.478 1.00 0.00 C ATOM 1496 CD GLU A 98 12.969 0.307 -9.835 1.00 0.00 C ATOM 1497 OE1 GLU A 98 11.991 1.008 -10.174 1.00 0.00 O ATOM 1498 OE2 GLU A 98 14.010 0.125 -10.503 1.00 0.00 O ATOM 0 H GLU A 98 12.810 -2.188 -6.303 1.00 0.00 H new ATOM 0 HA GLU A 98 10.617 -0.596 -7.102 1.00 0.00 H new ATOM 0 HB2 GLU A 98 12.422 -2.495 -8.632 1.00 0.00 H new ATOM 0 HB3 GLU A 98 11.239 -1.449 -9.391 1.00 0.00 H new ATOM 0 HG2 GLU A 98 12.583 0.322 -7.713 1.00 0.00 H new ATOM 0 HG3 GLU A 98 13.868 -0.767 -8.195 1.00 0.00 H new ATOM 1505 N ASP A 99 10.239 -3.864 -7.355 1.00 0.00 N ATOM 1506 CA ASP A 99 9.249 -4.920 -7.477 1.00 0.00 C ATOM 1507 C ASP A 99 8.125 -4.678 -6.468 1.00 0.00 C ATOM 1508 O ASP A 99 6.990 -5.102 -6.683 1.00 0.00 O ATOM 1509 CB ASP A 99 9.864 -6.289 -7.179 1.00 0.00 C ATOM 1510 CG ASP A 99 10.754 -6.852 -8.289 1.00 0.00 C ATOM 1511 OD1 ASP A 99 10.340 -6.737 -9.462 1.00 0.00 O ATOM 1512 OD2 ASP A 99 11.829 -7.386 -7.938 1.00 0.00 O ATOM 0 H ASP A 99 11.199 -4.190 -7.245 1.00 0.00 H new ATOM 0 HA ASP A 99 8.869 -4.910 -8.499 1.00 0.00 H new ATOM 0 HB2 ASP A 99 10.452 -6.215 -6.264 1.00 0.00 H new ATOM 0 HB3 ASP A 99 9.059 -6.998 -6.984 1.00 0.00 H new ATOM 1517 N ALA A 100 8.478 -3.996 -5.388 1.00 0.00 N ATOM 1518 CA ALA A 100 7.513 -3.693 -4.345 1.00 0.00 C ATOM 1519 C ALA A 100 6.680 -2.480 -4.765 1.00 0.00 C ATOM 1520 O ALA A 100 5.458 -2.485 -4.630 1.00 0.00 O ATOM 1521 CB ALA A 100 8.246 -3.467 -3.021 1.00 0.00 C ATOM 0 H ALA A 100 9.419 -3.645 -5.213 1.00 0.00 H new ATOM 0 HA ALA A 100 6.829 -4.529 -4.200 1.00 0.00 H new ATOM 0 HB1 ALA A 100 7.522 -3.240 -2.239 1.00 0.00 H new ATOM 0 HB2 ALA A 100 8.799 -4.367 -2.753 1.00 0.00 H new ATOM 0 HB3 ALA A 100 8.940 -2.633 -3.127 1.00 0.00 H new ATOM 1527 N ILE A 101 7.376 -1.469 -5.265 1.00 0.00 N ATOM 1528 CA ILE A 101 6.716 -0.252 -5.705 1.00 0.00 C ATOM 1529 C ILE A 101 5.746 -0.584 -6.840 1.00 0.00 C ATOM 1530 O ILE A 101 4.580 -0.196 -6.799 1.00 0.00 O ATOM 1531 CB ILE A 101 7.749 0.816 -6.071 1.00 0.00 C ATOM 1532 CG1 ILE A 101 8.432 1.371 -4.820 1.00 0.00 C ATOM 1533 CG2 ILE A 101 7.118 1.922 -6.919 1.00 0.00 C ATOM 1534 CD1 ILE A 101 9.948 1.442 -5.008 1.00 0.00 C ATOM 0 H ILE A 101 8.390 -1.468 -5.375 1.00 0.00 H new ATOM 0 HA ILE A 101 6.125 0.174 -4.895 1.00 0.00 H new ATOM 0 HB ILE A 101 8.523 0.347 -6.678 1.00 0.00 H new ATOM 0 HG12 ILE A 101 8.043 2.365 -4.600 1.00 0.00 H new ATOM 0 HG13 ILE A 101 8.198 0.739 -3.963 1.00 0.00 H new ATOM 0 HG21 ILE A 101 7.874 2.668 -7.165 1.00 0.00 H new ATOM 0 HG22 ILE A 101 6.719 1.493 -7.838 1.00 0.00 H new ATOM 0 HG23 ILE A 101 6.311 2.394 -6.359 1.00 0.00 H new ATOM 0 HD11 ILE A 101 10.409 1.840 -4.104 1.00 0.00 H new ATOM 0 HD12 ILE A 101 10.337 0.443 -5.204 1.00 0.00 H new ATOM 0 HD13 ILE A 101 10.180 2.094 -5.850 1.00 0.00 H new ATOM 1546 N GLU A 102 6.264 -1.300 -7.828 1.00 0.00 N ATOM 1547 CA GLU A 102 5.459 -1.689 -8.973 1.00 0.00 C ATOM 1548 C GLU A 102 4.157 -2.345 -8.507 1.00 0.00 C ATOM 1549 O GLU A 102 3.069 -1.882 -8.847 1.00 0.00 O ATOM 1550 CB GLU A 102 6.240 -2.620 -9.902 1.00 0.00 C ATOM 1551 CG GLU A 102 7.592 -2.010 -10.279 1.00 0.00 C ATOM 1552 CD GLU A 102 7.871 -2.177 -11.774 1.00 0.00 C ATOM 1553 OE1 GLU A 102 7.094 -1.600 -12.564 1.00 0.00 O ATOM 1554 OE2 GLU A 102 8.856 -2.878 -12.092 1.00 0.00 O ATOM 0 H GLU A 102 7.232 -1.621 -7.859 1.00 0.00 H new ATOM 0 HA GLU A 102 5.209 -0.792 -9.539 1.00 0.00 H new ATOM 0 HB2 GLU A 102 6.395 -3.582 -9.413 1.00 0.00 H new ATOM 0 HB3 GLU A 102 5.659 -2.811 -10.804 1.00 0.00 H new ATOM 0 HG2 GLU A 102 7.602 -0.951 -10.020 1.00 0.00 H new ATOM 0 HG3 GLU A 102 8.384 -2.487 -9.702 1.00 0.00 H new ATOM 1561 N HIS A 103 4.312 -3.412 -7.738 1.00 0.00 N ATOM 1562 CA HIS A 103 3.162 -4.136 -7.222 1.00 0.00 C ATOM 1563 C HIS A 103 2.243 -3.172 -6.471 1.00 0.00 C ATOM 1564 O HIS A 103 1.021 -3.263 -6.578 1.00 0.00 O ATOM 1565 CB HIS A 103 3.607 -5.322 -6.364 1.00 0.00 C ATOM 1566 CG HIS A 103 2.581 -6.425 -6.260 1.00 0.00 C ATOM 1567 ND1 HIS A 103 1.949 -6.967 -7.366 1.00 0.00 N ATOM 1568 CD2 HIS A 103 2.085 -7.081 -5.172 1.00 0.00 C ATOM 1569 CE1 HIS A 103 1.112 -7.906 -6.950 1.00 0.00 C ATOM 1570 NE2 HIS A 103 1.197 -7.975 -5.591 1.00 0.00 N ATOM 0 H HIS A 103 5.216 -3.793 -7.459 1.00 0.00 H new ATOM 0 HA HIS A 103 2.591 -4.556 -8.050 1.00 0.00 H new ATOM 0 HB2 HIS A 103 4.527 -5.733 -6.780 1.00 0.00 H new ATOM 0 HB3 HIS A 103 3.843 -4.964 -5.362 1.00 0.00 H new ATOM 0 HD1 HIS A 103 2.102 -6.691 -8.336 1.00 0.00 H new ATOM 0 HD2 HIS A 103 2.367 -6.904 -4.145 1.00 0.00 H new ATOM 0 HE1 HIS A 103 0.474 -8.511 -7.577 1.00 0.00 H new ATOM 1578 N PHE A 104 2.866 -2.269 -5.727 1.00 0.00 N ATOM 1579 CA PHE A 104 2.119 -1.289 -4.958 1.00 0.00 C ATOM 1580 C PHE A 104 1.484 -0.241 -5.875 1.00 0.00 C ATOM 1581 O PHE A 104 0.465 0.355 -5.530 1.00 0.00 O ATOM 1582 CB PHE A 104 3.116 -0.597 -4.027 1.00 0.00 C ATOM 1583 CG PHE A 104 2.518 0.558 -3.221 1.00 0.00 C ATOM 1584 CD1 PHE A 104 1.890 0.310 -2.041 1.00 0.00 C ATOM 1585 CD2 PHE A 104 2.613 1.833 -3.686 1.00 0.00 C ATOM 1586 CE1 PHE A 104 1.334 1.382 -1.293 1.00 0.00 C ATOM 1587 CE2 PHE A 104 2.057 2.904 -2.939 1.00 0.00 C ATOM 1588 CZ PHE A 104 1.429 2.656 -1.758 1.00 0.00 C ATOM 0 H PHE A 104 3.880 -2.196 -5.641 1.00 0.00 H new ATOM 0 HA PHE A 104 1.319 -1.781 -4.405 1.00 0.00 H new ATOM 0 HB2 PHE A 104 3.525 -1.335 -3.337 1.00 0.00 H new ATOM 0 HB3 PHE A 104 3.949 -0.219 -4.620 1.00 0.00 H new ATOM 0 HD1 PHE A 104 1.814 -0.702 -1.672 1.00 0.00 H new ATOM 0 HD2 PHE A 104 3.112 2.030 -4.624 1.00 0.00 H new ATOM 0 HE1 PHE A 104 0.836 1.185 -0.355 1.00 0.00 H new ATOM 0 HE2 PHE A 104 2.132 3.916 -3.308 1.00 0.00 H new ATOM 0 HZ PHE A 104 1.006 3.471 -1.190 1.00 0.00 H new ATOM 1598 N MET A 105 2.113 -0.048 -7.025 1.00 0.00 N ATOM 1599 CA MET A 105 1.623 0.917 -7.994 1.00 0.00 C ATOM 1600 C MET A 105 0.528 0.306 -8.870 1.00 0.00 C ATOM 1601 O MET A 105 -0.408 0.996 -9.272 1.00 0.00 O ATOM 1602 CB MET A 105 2.780 1.389 -8.876 1.00 0.00 C ATOM 1603 CG MET A 105 3.407 2.669 -8.320 1.00 0.00 C ATOM 1604 SD MET A 105 3.574 3.881 -9.620 1.00 0.00 S ATOM 1605 CE MET A 105 4.502 2.931 -10.813 1.00 0.00 C ATOM 0 H MET A 105 2.958 -0.544 -7.307 1.00 0.00 H new ATOM 0 HA MET A 105 1.199 1.763 -7.453 1.00 0.00 H new ATOM 0 HB2 MET A 105 3.537 0.607 -8.939 1.00 0.00 H new ATOM 0 HB3 MET A 105 2.420 1.567 -9.889 1.00 0.00 H new ATOM 0 HG2 MET A 105 2.788 3.068 -7.517 1.00 0.00 H new ATOM 0 HG3 MET A 105 4.384 2.448 -7.890 1.00 0.00 H new ATOM 0 HE1 MET A 105 5.172 3.592 -11.363 1.00 0.00 H new ATOM 0 HE2 MET A 105 5.087 2.170 -10.296 1.00 0.00 H new ATOM 0 HE3 MET A 105 3.815 2.450 -11.509 1.00 0.00 H new ATOM 1615 N LYS A 106 0.681 -0.981 -9.142 1.00 0.00 N ATOM 1616 CA LYS A 106 -0.283 -1.693 -9.964 1.00 0.00 C ATOM 1617 C LYS A 106 -1.506 -2.048 -9.116 1.00 0.00 C ATOM 1618 O LYS A 106 -2.641 -1.917 -9.572 1.00 0.00 O ATOM 1619 CB LYS A 106 0.373 -2.902 -10.633 1.00 0.00 C ATOM 1620 CG LYS A 106 -0.621 -4.056 -10.777 1.00 0.00 C ATOM 1621 CD LYS A 106 0.063 -5.303 -11.342 1.00 0.00 C ATOM 1622 CE LYS A 106 -0.390 -5.574 -12.778 1.00 0.00 C ATOM 1623 NZ LYS A 106 0.394 -4.756 -13.731 1.00 0.00 N ATOM 0 H LYS A 106 1.459 -1.550 -8.808 1.00 0.00 H new ATOM 0 HA LYS A 106 -0.632 -1.058 -10.778 1.00 0.00 H new ATOM 0 HB2 LYS A 106 0.751 -2.618 -11.615 1.00 0.00 H new ATOM 0 HB3 LYS A 106 1.230 -3.227 -10.044 1.00 0.00 H new ATOM 0 HG2 LYS A 106 -1.059 -4.286 -9.806 1.00 0.00 H new ATOM 0 HG3 LYS A 106 -1.438 -3.757 -11.433 1.00 0.00 H new ATOM 0 HD2 LYS A 106 1.145 -5.172 -11.317 1.00 0.00 H new ATOM 0 HD3 LYS A 106 -0.168 -6.164 -10.715 1.00 0.00 H new ATOM 0 HE2 LYS A 106 -0.268 -6.632 -13.011 1.00 0.00 H new ATOM 0 HE3 LYS A 106 -1.451 -5.346 -12.880 1.00 0.00 H new ATOM 0 HZ1 LYS A 106 0.074 -4.952 -14.701 1.00 0.00 H new ATOM 0 HZ2 LYS A 106 0.256 -3.747 -13.518 1.00 0.00 H new ATOM 0 HZ3 LYS A 106 1.403 -4.994 -13.644 1.00 0.00 H new ATOM 1637 N LEU A 107 -1.233 -2.491 -7.897 1.00 0.00 N ATOM 1638 CA LEU A 107 -2.297 -2.865 -6.981 1.00 0.00 C ATOM 1639 C LEU A 107 -3.309 -1.721 -6.886 1.00 0.00 C ATOM 1640 O LEU A 107 -4.488 -1.904 -7.184 1.00 0.00 O ATOM 1641 CB LEU A 107 -1.717 -3.287 -5.630 1.00 0.00 C ATOM 1642 CG LEU A 107 -1.414 -4.778 -5.466 1.00 0.00 C ATOM 1643 CD1 LEU A 107 -1.047 -5.107 -4.018 1.00 0.00 C ATOM 1644 CD2 LEU A 107 -2.579 -5.633 -5.971 1.00 0.00 C ATOM 0 H LEU A 107 -0.290 -2.599 -7.523 1.00 0.00 H new ATOM 0 HA LEU A 107 -2.835 -3.736 -7.357 1.00 0.00 H new ATOM 0 HB2 LEU A 107 -0.796 -2.729 -5.462 1.00 0.00 H new ATOM 0 HB3 LEU A 107 -2.416 -2.991 -4.848 1.00 0.00 H new ATOM 0 HG LEU A 107 -0.547 -5.020 -6.080 1.00 0.00 H new ATOM 0 HD11 LEU A 107 -0.836 -6.173 -3.929 1.00 0.00 H new ATOM 0 HD12 LEU A 107 -0.164 -4.537 -3.728 1.00 0.00 H new ATOM 0 HD13 LEU A 107 -1.879 -4.846 -3.364 1.00 0.00 H new ATOM 0 HD21 LEU A 107 -2.338 -6.688 -5.843 1.00 0.00 H new ATOM 0 HD22 LEU A 107 -3.478 -5.395 -5.403 1.00 0.00 H new ATOM 0 HD23 LEU A 107 -2.751 -5.426 -7.027 1.00 0.00 H new ATOM 1656 N TYR A 108 -2.810 -0.567 -6.470 1.00 0.00 N ATOM 1657 CA TYR A 108 -3.656 0.607 -6.331 1.00 0.00 C ATOM 1658 C TYR A 108 -4.214 1.043 -7.687 1.00 0.00 C ATOM 1659 O TYR A 108 -5.080 1.914 -7.755 1.00 0.00 O ATOM 1660 CB TYR A 108 -2.754 1.715 -5.784 1.00 0.00 C ATOM 1661 CG TYR A 108 -3.496 3.006 -5.433 1.00 0.00 C ATOM 1662 CD1 TYR A 108 -4.064 3.157 -4.184 1.00 0.00 C ATOM 1663 CD2 TYR A 108 -3.598 4.018 -6.365 1.00 0.00 C ATOM 1664 CE1 TYR A 108 -4.763 4.372 -3.854 1.00 0.00 C ATOM 1665 CE2 TYR A 108 -4.297 5.233 -6.034 1.00 0.00 C ATOM 1666 CZ TYR A 108 -4.845 5.350 -4.795 1.00 0.00 C ATOM 1667 OH TYR A 108 -5.505 6.497 -4.483 1.00 0.00 O ATOM 0 H TYR A 108 -1.831 -0.419 -6.225 1.00 0.00 H new ATOM 0 HA TYR A 108 -4.502 0.396 -5.676 1.00 0.00 H new ATOM 0 HB2 TYR A 108 -2.244 1.348 -4.893 1.00 0.00 H new ATOM 0 HB3 TYR A 108 -1.984 1.940 -6.522 1.00 0.00 H new ATOM 0 HD1 TYR A 108 -3.984 2.364 -3.455 1.00 0.00 H new ATOM 0 HD2 TYR A 108 -3.154 3.899 -7.342 1.00 0.00 H new ATOM 0 HE1 TYR A 108 -5.212 4.503 -2.881 1.00 0.00 H new ATOM 0 HE2 TYR A 108 -4.384 6.033 -6.754 1.00 0.00 H new ATOM 0 HH TYR A 108 -5.483 7.106 -5.250 1.00 0.00 H new ATOM 1677 N GLU A 109 -3.695 0.418 -8.734 1.00 0.00 N ATOM 1678 CA GLU A 109 -4.130 0.731 -10.084 1.00 0.00 C ATOM 1679 C GLU A 109 -5.226 -0.240 -10.527 1.00 0.00 C ATOM 1680 O GLU A 109 -5.978 0.048 -11.457 1.00 0.00 O ATOM 1681 CB GLU A 109 -2.952 0.710 -11.059 1.00 0.00 C ATOM 1682 CG GLU A 109 -3.435 0.823 -12.507 1.00 0.00 C ATOM 1683 CD GLU A 109 -2.256 0.807 -13.481 1.00 0.00 C ATOM 1684 OE1 GLU A 109 -1.660 1.890 -13.668 1.00 0.00 O ATOM 1685 OE2 GLU A 109 -1.977 -0.287 -14.018 1.00 0.00 O ATOM 0 H GLU A 109 -2.977 -0.304 -8.674 1.00 0.00 H new ATOM 0 HA GLU A 109 -4.543 1.740 -10.087 1.00 0.00 H new ATOM 0 HB2 GLU A 109 -2.274 1.533 -10.833 1.00 0.00 H new ATOM 0 HB3 GLU A 109 -2.387 -0.213 -10.932 1.00 0.00 H new ATOM 0 HG2 GLU A 109 -4.110 -0.002 -12.734 1.00 0.00 H new ATOM 0 HG3 GLU A 109 -4.003 1.744 -12.634 1.00 0.00 H new ATOM 1692 N GLU A 110 -5.282 -1.372 -9.841 1.00 0.00 N ATOM 1693 CA GLU A 110 -6.273 -2.388 -10.151 1.00 0.00 C ATOM 1694 C GLU A 110 -7.574 -2.110 -9.395 1.00 0.00 C ATOM 1695 O GLU A 110 -8.662 -2.253 -9.951 1.00 0.00 O ATOM 1696 CB GLU A 110 -5.742 -3.787 -9.833 1.00 0.00 C ATOM 1697 CG GLU A 110 -6.182 -4.237 -8.439 1.00 0.00 C ATOM 1698 CD GLU A 110 -5.694 -5.656 -8.140 1.00 0.00 C ATOM 1699 OE1 GLU A 110 -4.480 -5.889 -8.325 1.00 0.00 O ATOM 1700 OE2 GLU A 110 -6.546 -6.475 -7.734 1.00 0.00 O ATOM 0 H GLU A 110 -4.656 -1.608 -9.071 1.00 0.00 H new ATOM 0 HA GLU A 110 -6.482 -2.349 -11.220 1.00 0.00 H new ATOM 0 HB2 GLU A 110 -6.104 -4.495 -10.579 1.00 0.00 H new ATOM 0 HB3 GLU A 110 -4.654 -3.789 -9.893 1.00 0.00 H new ATOM 0 HG2 GLU A 110 -5.790 -3.549 -7.690 1.00 0.00 H new ATOM 0 HG3 GLU A 110 -7.269 -4.200 -8.368 1.00 0.00 H new ATOM 1707 N LYS A 111 -7.418 -1.717 -8.139 1.00 0.00 N ATOM 1708 CA LYS A 111 -8.566 -1.418 -7.301 1.00 0.00 C ATOM 1709 C LYS A 111 -9.294 -0.193 -7.859 1.00 0.00 C ATOM 1710 O LYS A 111 -10.454 -0.284 -8.258 1.00 0.00 O ATOM 1711 CB LYS A 111 -8.138 -1.266 -5.840 1.00 0.00 C ATOM 1712 CG LYS A 111 -7.518 -2.561 -5.313 1.00 0.00 C ATOM 1713 CD LYS A 111 -8.597 -3.602 -5.010 1.00 0.00 C ATOM 1714 CE LYS A 111 -7.989 -5.000 -4.879 1.00 0.00 C ATOM 1715 NZ LYS A 111 -8.797 -5.833 -3.961 1.00 0.00 N ATOM 0 H LYS A 111 -6.514 -1.599 -7.682 1.00 0.00 H new ATOM 0 HA LYS A 111 -9.275 -2.246 -7.317 1.00 0.00 H new ATOM 0 HB2 LYS A 111 -7.419 -0.452 -5.751 1.00 0.00 H new ATOM 0 HB3 LYS A 111 -9.001 -0.997 -5.231 1.00 0.00 H new ATOM 0 HG2 LYS A 111 -6.820 -2.960 -6.049 1.00 0.00 H new ATOM 0 HG3 LYS A 111 -6.945 -2.353 -4.410 1.00 0.00 H new ATOM 0 HD2 LYS A 111 -9.113 -3.338 -4.087 1.00 0.00 H new ATOM 0 HD3 LYS A 111 -9.343 -3.599 -5.804 1.00 0.00 H new ATOM 0 HE2 LYS A 111 -7.938 -5.474 -5.859 1.00 0.00 H new ATOM 0 HE3 LYS A 111 -6.967 -4.925 -4.507 1.00 0.00 H new ATOM 0 HZ1 LYS A 111 -8.606 -6.838 -4.146 1.00 0.00 H new ATOM 0 HZ2 LYS A 111 -8.547 -5.608 -2.977 1.00 0.00 H new ATOM 0 HZ3 LYS A 111 -9.807 -5.639 -4.114 1.00 0.00 H new ATOM 1729 N THR A 112 -8.583 0.925 -7.870 1.00 0.00 N ATOM 1730 CA THR A 112 -9.146 2.166 -8.372 1.00 0.00 C ATOM 1731 C THR A 112 -9.297 2.106 -9.894 1.00 0.00 C ATOM 1732 O THR A 112 -10.287 2.588 -10.442 1.00 0.00 O ATOM 1733 CB THR A 112 -8.257 3.316 -7.895 1.00 0.00 C ATOM 1734 OG1 THR A 112 -7.103 3.232 -8.727 1.00 0.00 O ATOM 1735 CG2 THR A 112 -7.715 3.090 -6.482 1.00 0.00 C ATOM 0 H THR A 112 -7.621 0.997 -7.539 1.00 0.00 H new ATOM 0 HA THR A 112 -10.151 2.330 -7.983 1.00 0.00 H new ATOM 0 HB THR A 112 -8.823 4.247 -7.922 1.00 0.00 H new ATOM 0 HG1 THR A 112 -6.476 2.580 -8.351 1.00 0.00 H new ATOM 0 HG21 THR A 112 -7.091 3.935 -6.192 1.00 0.00 H new ATOM 0 HG22 THR A 112 -8.547 2.997 -5.784 1.00 0.00 H new ATOM 0 HG23 THR A 112 -7.121 2.176 -6.462 1.00 0.00 H new ATOM 1743 N GLY A 113 -8.301 1.510 -10.532 1.00 0.00 N ATOM 1744 CA GLY A 113 -8.310 1.380 -11.979 1.00 0.00 C ATOM 1745 C GLY A 113 -7.410 2.432 -12.630 1.00 0.00 C ATOM 1746 O GLY A 113 -6.992 2.274 -13.776 1.00 0.00 O ATOM 0 H GLY A 113 -7.482 1.111 -10.073 1.00 0.00 H new ATOM 0 HA2 GLY A 113 -7.972 0.383 -12.260 1.00 0.00 H new ATOM 0 HA3 GLY A 113 -9.329 1.488 -12.351 1.00 0.00 H new ATOM 1750 N ASN A 114 -7.136 3.482 -11.870 1.00 0.00 N ATOM 1751 CA ASN A 114 -6.292 4.560 -12.358 1.00 0.00 C ATOM 1752 C ASN A 114 -4.882 4.395 -11.789 1.00 0.00 C ATOM 1753 O ASN A 114 -4.705 3.822 -10.715 1.00 0.00 O ATOM 1754 CB ASN A 114 -6.826 5.923 -11.912 1.00 0.00 C ATOM 1755 CG ASN A 114 -7.858 6.459 -12.905 1.00 0.00 C ATOM 1756 OD1 ASN A 114 -7.550 7.209 -13.817 1.00 0.00 O ATOM 1757 ND2 ASN A 114 -9.099 6.035 -12.679 1.00 0.00 N ATOM 0 H ASN A 114 -7.484 3.609 -10.920 1.00 0.00 H new ATOM 0 HA ASN A 114 -6.284 4.515 -13.447 1.00 0.00 H new ATOM 0 HB2 ASN A 114 -7.278 5.835 -10.924 1.00 0.00 H new ATOM 0 HB3 ASN A 114 -6.001 6.629 -11.823 1.00 0.00 H new ATOM 0 HD21 ASN A 114 -9.860 6.337 -13.287 1.00 0.00 H new ATOM 0 HD22 ASN A 114 -9.289 5.407 -11.898 1.00 0.00 H new ATOM 1764 N ALA A 115 -3.914 4.908 -12.535 1.00 0.00 N ATOM 1765 CA ALA A 115 -2.524 4.825 -12.118 1.00 0.00 C ATOM 1766 C ALA A 115 -2.340 5.605 -10.815 1.00 0.00 C ATOM 1767 O ALA A 115 -3.055 6.573 -10.560 1.00 0.00 O ATOM 1768 CB ALA A 115 -1.623 5.343 -13.240 1.00 0.00 C ATOM 0 H ALA A 115 -4.065 5.382 -13.425 1.00 0.00 H new ATOM 0 HA ALA A 115 -2.242 3.790 -11.925 1.00 0.00 H new ATOM 0 HB1 ALA A 115 -0.581 5.281 -12.928 1.00 0.00 H new ATOM 0 HB2 ALA A 115 -1.771 4.737 -14.134 1.00 0.00 H new ATOM 0 HB3 ALA A 115 -1.875 6.381 -13.459 1.00 0.00 H new ATOM 1774 N TRP A 116 -1.377 5.154 -10.024 1.00 0.00 N ATOM 1775 CA TRP A 116 -1.089 5.798 -8.753 1.00 0.00 C ATOM 1776 C TRP A 116 -0.581 7.212 -9.044 1.00 0.00 C ATOM 1777 O TRP A 116 -0.982 8.167 -8.381 1.00 0.00 O ATOM 1778 CB TRP A 116 -0.105 4.967 -7.928 1.00 0.00 C ATOM 1779 CG TRP A 116 0.672 5.775 -6.887 1.00 0.00 C ATOM 1780 CD1 TRP A 116 1.667 6.648 -7.096 1.00 0.00 C ATOM 1781 CD2 TRP A 116 0.477 5.750 -5.458 1.00 0.00 C ATOM 1782 NE1 TRP A 116 2.126 7.185 -5.910 1.00 0.00 N ATOM 1783 CE2 TRP A 116 1.379 6.621 -4.882 1.00 0.00 C ATOM 1784 CE3 TRP A 116 -0.432 5.014 -4.677 1.00 0.00 C ATOM 1785 CZ2 TRP A 116 1.460 6.839 -3.502 1.00 0.00 C ATOM 1786 CZ3 TRP A 116 -0.338 5.244 -3.299 1.00 0.00 C ATOM 1787 CH2 TRP A 116 0.564 6.118 -2.704 1.00 0.00 C ATOM 0 H TRP A 116 -0.786 4.351 -10.239 1.00 0.00 H new ATOM 0 HA TRP A 116 -1.990 5.870 -8.144 1.00 0.00 H new ATOM 0 HB2 TRP A 116 -0.652 4.172 -7.421 1.00 0.00 H new ATOM 0 HB3 TRP A 116 0.603 4.486 -8.603 1.00 0.00 H new ATOM 0 HD1 TRP A 116 2.060 6.900 -8.070 1.00 0.00 H new ATOM 0 HE1 TRP A 116 2.875 7.869 -5.807 1.00 0.00 H new ATOM 0 HE3 TRP A 116 -1.146 4.326 -5.106 1.00 0.00 H new ATOM 0 HZ2 TRP A 116 2.175 7.527 -3.076 1.00 0.00 H new ATOM 0 HZ3 TRP A 116 -1.014 4.704 -2.653 1.00 0.00 H new ATOM 0 HH2 TRP A 116 0.574 6.240 -1.631 1.00 0.00 H new ATOM 1798 N HIS A 117 0.294 7.300 -10.035 1.00 0.00 N ATOM 1799 CA HIS A 117 0.861 8.581 -10.421 1.00 0.00 C ATOM 1800 C HIS A 117 0.629 8.815 -11.915 1.00 0.00 C ATOM 1801 O HIS A 117 1.392 8.330 -12.749 1.00 0.00 O ATOM 1802 CB HIS A 117 2.338 8.661 -10.030 1.00 0.00 C ATOM 1803 CG HIS A 117 2.609 9.540 -8.833 1.00 0.00 C ATOM 1804 ND1 HIS A 117 3.808 9.514 -8.141 1.00 0.00 N ATOM 1805 CD2 HIS A 117 1.826 10.469 -8.213 1.00 0.00 C ATOM 1806 CE1 HIS A 117 3.737 10.392 -7.151 1.00 0.00 C ATOM 1807 NE2 HIS A 117 2.508 10.982 -7.197 1.00 0.00 N ATOM 0 H HIS A 117 0.624 6.505 -10.582 1.00 0.00 H new ATOM 0 HA HIS A 117 0.359 9.383 -9.881 1.00 0.00 H new ATOM 0 HB2 HIS A 117 2.703 7.656 -9.820 1.00 0.00 H new ATOM 0 HB3 HIS A 117 2.909 9.036 -10.880 1.00 0.00 H new ATOM 0 HD2 HIS A 117 0.821 10.741 -8.500 1.00 0.00 H new ATOM 0 HE1 HIS A 117 4.516 10.603 -6.433 1.00 0.00 H new ATOM 0 HE2 HIS A 117 2.169 11.699 -6.556 1.00 0.00 H new ATOM 1815 N SER A 118 -0.428 9.558 -12.208 1.00 0.00 N ATOM 1816 CA SER A 118 -0.770 9.863 -13.587 1.00 0.00 C ATOM 1817 C SER A 118 -1.109 11.348 -13.726 1.00 0.00 C ATOM 1818 O SER A 118 -0.588 12.027 -14.610 1.00 0.00 O ATOM 1819 CB SER A 118 -1.942 9.004 -14.066 1.00 0.00 C ATOM 1820 OG SER A 118 -1.936 8.835 -15.481 1.00 0.00 O ATOM 0 H SER A 118 -1.059 9.958 -11.514 1.00 0.00 H new ATOM 0 HA SER A 118 0.093 9.634 -14.212 1.00 0.00 H new ATOM 0 HB2 SER A 118 -1.897 8.027 -13.584 1.00 0.00 H new ATOM 0 HB3 SER A 118 -2.880 9.467 -13.760 1.00 0.00 H new ATOM 0 HG SER A 118 -2.698 8.280 -15.747 1.00 0.00 H new ATOM 1826 N LYS A 119 -1.979 11.809 -12.840 1.00 0.00 N ATOM 1827 CA LYS A 119 -2.394 13.202 -12.853 1.00 0.00 C ATOM 1828 C LYS A 119 -3.662 13.360 -12.012 1.00 0.00 C ATOM 1829 O LYS A 119 -3.587 13.622 -10.813 1.00 0.00 O ATOM 1830 CB LYS A 119 -2.543 13.703 -14.291 1.00 0.00 C ATOM 1831 CG LYS A 119 -1.323 14.523 -14.715 1.00 0.00 C ATOM 1832 CD LYS A 119 -1.634 16.021 -14.693 1.00 0.00 C ATOM 1833 CE LYS A 119 -2.447 16.430 -15.923 1.00 0.00 C ATOM 1834 NZ LYS A 119 -3.384 17.524 -15.584 1.00 0.00 N ATOM 0 H LYS A 119 -2.408 11.243 -12.108 1.00 0.00 H new ATOM 0 HA LYS A 119 -1.629 13.832 -12.398 1.00 0.00 H new ATOM 0 HB2 LYS A 119 -2.667 12.855 -14.964 1.00 0.00 H new ATOM 0 HB3 LYS A 119 -3.443 14.312 -14.376 1.00 0.00 H new ATOM 0 HG2 LYS A 119 -0.488 14.312 -14.047 1.00 0.00 H new ATOM 0 HG3 LYS A 119 -1.012 14.227 -15.717 1.00 0.00 H new ATOM 0 HD2 LYS A 119 -2.188 16.268 -13.788 1.00 0.00 H new ATOM 0 HD3 LYS A 119 -0.704 16.589 -14.662 1.00 0.00 H new ATOM 0 HE2 LYS A 119 -1.776 16.752 -16.719 1.00 0.00 H new ATOM 0 HE3 LYS A 119 -3.002 15.572 -16.301 1.00 0.00 H new ATOM 0 HZ1 LYS A 119 -3.928 17.790 -16.430 1.00 0.00 H new ATOM 0 HZ2 LYS A 119 -4.036 17.205 -14.839 1.00 0.00 H new ATOM 0 HZ3 LYS A 119 -2.848 18.348 -15.245 1.00 0.00 H new ATOM 1848 N ASN A 120 -4.797 13.195 -12.675 1.00 0.00 N ATOM 1849 CA ASN A 120 -6.080 13.316 -12.003 1.00 0.00 C ATOM 1850 C ASN A 120 -6.769 11.950 -11.978 1.00 0.00 C ATOM 1851 O ASN A 120 -6.558 11.128 -12.868 1.00 0.00 O ATOM 1852 CB ASN A 120 -6.997 14.294 -12.740 1.00 0.00 C ATOM 1853 CG ASN A 120 -6.885 15.702 -12.150 1.00 0.00 C ATOM 1854 OD1 ASN A 120 -5.862 16.361 -12.241 1.00 0.00 O ATOM 1855 ND2 ASN A 120 -7.990 16.123 -11.542 1.00 0.00 N ATOM 0 H ASN A 120 -4.855 12.979 -13.670 1.00 0.00 H new ATOM 0 HA ASN A 120 -5.898 13.683 -10.993 1.00 0.00 H new ATOM 0 HB2 ASN A 120 -6.735 14.317 -13.798 1.00 0.00 H new ATOM 0 HB3 ASN A 120 -8.029 13.950 -12.675 1.00 0.00 H new ATOM 0 HD21 ASN A 120 -8.016 17.049 -11.115 1.00 0.00 H new ATOM 0 HD22 ASN A 120 -8.812 15.520 -11.502 1.00 0.00 H new ATOM 1862 N PHE A 121 -7.578 11.750 -10.948 1.00 0.00 N ATOM 1863 CA PHE A 121 -8.299 10.498 -10.795 1.00 0.00 C ATOM 1864 C PHE A 121 -9.742 10.632 -11.287 1.00 0.00 C ATOM 1865 O PHE A 121 -10.262 11.741 -11.401 1.00 0.00 O ATOM 1866 CB PHE A 121 -8.311 10.168 -9.301 1.00 0.00 C ATOM 1867 CG PHE A 121 -9.014 8.852 -8.960 1.00 0.00 C ATOM 1868 CD1 PHE A 121 -8.527 7.677 -9.441 1.00 0.00 C ATOM 1869 CD2 PHE A 121 -10.125 8.859 -8.175 1.00 0.00 C ATOM 1870 CE1 PHE A 121 -9.180 6.456 -9.124 1.00 0.00 C ATOM 1871 CE2 PHE A 121 -10.777 7.638 -7.859 1.00 0.00 C ATOM 1872 CZ PHE A 121 -10.291 6.462 -8.340 1.00 0.00 C ATOM 0 H PHE A 121 -7.750 12.434 -10.211 1.00 0.00 H new ATOM 0 HA PHE A 121 -7.815 9.716 -11.381 1.00 0.00 H new ATOM 0 HB2 PHE A 121 -7.283 10.123 -8.941 1.00 0.00 H new ATOM 0 HB3 PHE A 121 -8.801 10.980 -8.764 1.00 0.00 H new ATOM 0 HD1 PHE A 121 -7.644 7.672 -10.064 1.00 0.00 H new ATOM 0 HD2 PHE A 121 -10.511 9.792 -7.793 1.00 0.00 H new ATOM 0 HE1 PHE A 121 -8.794 5.522 -9.506 1.00 0.00 H new ATOM 0 HE2 PHE A 121 -11.659 7.643 -7.236 1.00 0.00 H new ATOM 0 HZ PHE A 121 -10.787 5.534 -8.099 1.00 0.00 H new ATOM 1882 N THR A 122 -10.348 9.487 -11.564 1.00 0.00 N ATOM 1883 CA THR A 122 -11.720 9.463 -12.041 1.00 0.00 C ATOM 1884 C THR A 122 -12.531 8.413 -11.278 1.00 0.00 C ATOM 1885 O THR A 122 -12.207 7.227 -11.313 1.00 0.00 O ATOM 1886 CB THR A 122 -11.692 9.228 -13.552 1.00 0.00 C ATOM 1887 OG1 THR A 122 -11.258 10.474 -14.089 1.00 0.00 O ATOM 1888 CG2 THR A 122 -13.091 9.035 -14.141 1.00 0.00 C ATOM 0 H THR A 122 -9.914 8.569 -11.467 1.00 0.00 H new ATOM 0 HA THR A 122 -12.220 10.414 -11.855 1.00 0.00 H new ATOM 0 HB THR A 122 -11.082 8.352 -13.772 1.00 0.00 H new ATOM 0 HG1 THR A 122 -11.210 10.410 -15.066 1.00 0.00 H new ATOM 0 HG21 THR A 122 -13.014 8.872 -15.216 1.00 0.00 H new ATOM 0 HG22 THR A 122 -13.566 8.171 -13.676 1.00 0.00 H new ATOM 0 HG23 THR A 122 -13.692 9.925 -13.951 1.00 0.00 H new ATOM 1896 N LYS A 123 -13.570 8.888 -10.606 1.00 0.00 N ATOM 1897 CA LYS A 123 -14.430 8.006 -9.836 1.00 0.00 C ATOM 1898 C LYS A 123 -15.186 7.078 -10.789 1.00 0.00 C ATOM 1899 O LYS A 123 -16.038 7.528 -11.553 1.00 0.00 O ATOM 1900 CB LYS A 123 -15.342 8.817 -8.914 1.00 0.00 C ATOM 1901 CG LYS A 123 -15.372 8.219 -7.507 1.00 0.00 C ATOM 1902 CD LYS A 123 -16.767 7.690 -7.165 1.00 0.00 C ATOM 1903 CE LYS A 123 -16.700 6.654 -6.041 1.00 0.00 C ATOM 1904 NZ LYS A 123 -18.015 6.529 -5.373 1.00 0.00 N ATOM 0 H LYS A 123 -13.835 9.873 -10.579 1.00 0.00 H new ATOM 0 HA LYS A 123 -13.835 7.372 -9.179 1.00 0.00 H new ATOM 0 HB2 LYS A 123 -14.993 9.848 -8.867 1.00 0.00 H new ATOM 0 HB3 LYS A 123 -16.352 8.841 -9.324 1.00 0.00 H new ATOM 0 HG2 LYS A 123 -14.645 7.410 -7.436 1.00 0.00 H new ATOM 0 HG3 LYS A 123 -15.078 8.976 -6.780 1.00 0.00 H new ATOM 0 HD2 LYS A 123 -17.410 8.517 -6.864 1.00 0.00 H new ATOM 0 HD3 LYS A 123 -17.217 7.242 -8.051 1.00 0.00 H new ATOM 0 HE2 LYS A 123 -16.398 5.688 -6.446 1.00 0.00 H new ATOM 0 HE3 LYS A 123 -15.942 6.946 -5.314 1.00 0.00 H new ATOM 0 HZ1 LYS A 123 -17.902 6.012 -4.477 1.00 0.00 H new ATOM 0 HZ2 LYS A 123 -18.398 7.477 -5.180 1.00 0.00 H new ATOM 0 HZ3 LYS A 123 -18.671 6.010 -5.991 1.00 0.00 H new ATOM 1918 N TYR A 124 -14.846 5.799 -10.712 1.00 0.00 N ATOM 1919 CA TYR A 124 -15.483 4.804 -11.559 1.00 0.00 C ATOM 1920 C TYR A 124 -16.334 3.842 -10.728 1.00 0.00 C ATOM 1921 O TYR A 124 -16.162 3.745 -9.514 1.00 0.00 O ATOM 1922 CB TYR A 124 -14.345 4.022 -12.218 1.00 0.00 C ATOM 1923 CG TYR A 124 -13.926 4.565 -13.585 1.00 0.00 C ATOM 1924 CD1 TYR A 124 -14.887 4.934 -14.505 1.00 0.00 C ATOM 1925 CD2 TYR A 124 -12.588 4.687 -13.899 1.00 0.00 C ATOM 1926 CE1 TYR A 124 -14.493 5.446 -15.792 1.00 0.00 C ATOM 1927 CE2 TYR A 124 -12.194 5.199 -15.186 1.00 0.00 C ATOM 1928 CZ TYR A 124 -13.165 5.553 -16.069 1.00 0.00 C ATOM 1929 OH TYR A 124 -12.793 6.036 -17.284 1.00 0.00 O ATOM 0 H TYR A 124 -14.139 5.429 -10.077 1.00 0.00 H new ATOM 0 HA TYR A 124 -16.139 5.281 -12.287 1.00 0.00 H new ATOM 0 HB2 TYR A 124 -13.480 4.031 -11.555 1.00 0.00 H new ATOM 0 HB3 TYR A 124 -14.650 2.982 -12.330 1.00 0.00 H new ATOM 0 HD1 TYR A 124 -15.934 4.839 -14.259 1.00 0.00 H new ATOM 0 HD2 TYR A 124 -11.836 4.398 -13.179 1.00 0.00 H new ATOM 0 HE1 TYR A 124 -15.235 5.738 -16.521 1.00 0.00 H new ATOM 0 HE2 TYR A 124 -11.150 5.300 -15.444 1.00 0.00 H new ATOM 0 HH TYR A 124 -11.815 6.058 -17.342 1.00 0.00 H new ATOM 1939 N PRO A 125 -17.257 3.136 -11.434 1.00 0.00 N ATOM 1940 CA PRO A 125 -18.136 2.184 -10.776 1.00 0.00 C ATOM 1941 C PRO A 125 -17.383 0.903 -10.413 1.00 0.00 C ATOM 1942 O PRO A 125 -16.755 0.283 -11.271 1.00 0.00 O ATOM 1943 CB PRO A 125 -19.270 1.949 -11.760 1.00 0.00 C ATOM 1944 CG PRO A 125 -18.751 2.412 -13.112 1.00 0.00 C ATOM 1945 CD PRO A 125 -17.489 3.225 -12.873 1.00 0.00 C ATOM 0 HA PRO A 125 -18.522 2.555 -9.827 1.00 0.00 H new ATOM 0 HB2 PRO A 125 -19.550 0.896 -11.789 1.00 0.00 H new ATOM 0 HB3 PRO A 125 -20.160 2.508 -11.471 1.00 0.00 H new ATOM 0 HG2 PRO A 125 -18.538 1.556 -13.753 1.00 0.00 H new ATOM 0 HG3 PRO A 125 -19.502 3.014 -13.623 1.00 0.00 H new ATOM 0 HD2 PRO A 125 -16.646 2.823 -13.435 1.00 0.00 H new ATOM 0 HD3 PRO A 125 -17.619 4.260 -13.190 1.00 0.00 H new ATOM 1953 N LYS A 126 -17.470 0.543 -9.141 1.00 0.00 N ATOM 1954 CA LYS A 126 -16.804 -0.654 -8.655 1.00 0.00 C ATOM 1955 C LYS A 126 -15.311 -0.368 -8.484 1.00 0.00 C ATOM 1956 O LYS A 126 -14.550 -1.246 -8.079 1.00 0.00 O ATOM 1957 CB LYS A 126 -17.102 -1.843 -9.571 1.00 0.00 C ATOM 1958 CG LYS A 126 -18.599 -1.941 -9.873 1.00 0.00 C ATOM 1959 CD LYS A 126 -18.977 -3.355 -10.319 1.00 0.00 C ATOM 1960 CE LYS A 126 -18.805 -3.517 -11.831 1.00 0.00 C ATOM 1961 NZ LYS A 126 -17.972 -4.702 -12.133 1.00 0.00 N ATOM 0 H LYS A 126 -17.991 1.059 -8.432 1.00 0.00 H new ATOM 0 HA LYS A 126 -17.190 -0.933 -7.674 1.00 0.00 H new ATOM 0 HB2 LYS A 126 -16.546 -1.737 -10.502 1.00 0.00 H new ATOM 0 HB3 LYS A 126 -16.762 -2.765 -9.099 1.00 0.00 H new ATOM 0 HG2 LYS A 126 -19.171 -1.671 -8.985 1.00 0.00 H new ATOM 0 HG3 LYS A 126 -18.864 -1.227 -10.653 1.00 0.00 H new ATOM 0 HD2 LYS A 126 -18.355 -4.083 -9.798 1.00 0.00 H new ATOM 0 HD3 LYS A 126 -20.011 -3.563 -10.042 1.00 0.00 H new ATOM 0 HE2 LYS A 126 -19.781 -3.621 -12.305 1.00 0.00 H new ATOM 0 HE3 LYS A 126 -18.341 -2.623 -12.248 1.00 0.00 H new ATOM 0 HZ1 LYS A 126 -17.865 -4.798 -13.163 1.00 0.00 H new ATOM 0 HZ2 LYS A 126 -17.035 -4.588 -11.697 1.00 0.00 H new ATOM 0 HZ3 LYS A 126 -18.430 -5.554 -11.752 1.00 0.00 H new ATOM 1975 N LYS A 127 -14.936 0.862 -8.801 1.00 0.00 N ATOM 1976 CA LYS A 127 -13.548 1.275 -8.688 1.00 0.00 C ATOM 1977 C LYS A 127 -13.294 1.814 -7.279 1.00 0.00 C ATOM 1978 O LYS A 127 -14.120 2.542 -6.731 1.00 0.00 O ATOM 1979 CB LYS A 127 -13.190 2.264 -9.799 1.00 0.00 C ATOM 1980 CG LYS A 127 -13.044 1.549 -11.144 1.00 0.00 C ATOM 1981 CD LYS A 127 -12.083 0.364 -11.033 1.00 0.00 C ATOM 1982 CE LYS A 127 -11.519 -0.014 -12.404 1.00 0.00 C ATOM 1983 NZ LYS A 127 -12.165 -1.247 -12.908 1.00 0.00 N ATOM 0 H LYS A 127 -15.570 1.587 -9.137 1.00 0.00 H new ATOM 0 HA LYS A 127 -12.884 0.422 -8.828 1.00 0.00 H new ATOM 0 HB2 LYS A 127 -13.963 3.029 -9.872 1.00 0.00 H new ATOM 0 HB3 LYS A 127 -12.259 2.773 -9.551 1.00 0.00 H new ATOM 0 HG2 LYS A 127 -14.020 1.200 -11.482 1.00 0.00 H new ATOM 0 HG3 LYS A 127 -12.678 2.250 -11.895 1.00 0.00 H new ATOM 0 HD2 LYS A 127 -11.266 0.616 -10.356 1.00 0.00 H new ATOM 0 HD3 LYS A 127 -12.603 -0.491 -10.601 1.00 0.00 H new ATOM 0 HE2 LYS A 127 -11.681 0.802 -13.108 1.00 0.00 H new ATOM 0 HE3 LYS A 127 -10.442 -0.164 -12.332 1.00 0.00 H new ATOM 0 HZ1 LYS A 127 -11.771 -1.490 -13.839 1.00 0.00 H new ATOM 0 HZ2 LYS A 127 -11.989 -2.028 -12.244 1.00 0.00 H new ATOM 0 HZ3 LYS A 127 -13.190 -1.091 -12.996 1.00 0.00 H new ATOM 1997 N PHE A 128 -12.147 1.437 -6.733 1.00 0.00 N ATOM 1998 CA PHE A 128 -11.774 1.873 -5.398 1.00 0.00 C ATOM 1999 C PHE A 128 -11.182 3.284 -5.428 1.00 0.00 C ATOM 2000 O PHE A 128 -10.236 3.548 -6.169 1.00 0.00 O ATOM 2001 CB PHE A 128 -10.711 0.898 -4.889 1.00 0.00 C ATOM 2002 CG PHE A 128 -11.276 -0.436 -4.397 1.00 0.00 C ATOM 2003 CD1 PHE A 128 -11.647 -0.579 -3.096 1.00 0.00 C ATOM 2004 CD2 PHE A 128 -11.407 -1.479 -5.260 1.00 0.00 C ATOM 2005 CE1 PHE A 128 -12.171 -1.817 -2.639 1.00 0.00 C ATOM 2006 CE2 PHE A 128 -11.931 -2.717 -4.803 1.00 0.00 C ATOM 2007 CZ PHE A 128 -12.302 -2.860 -3.502 1.00 0.00 C ATOM 0 H PHE A 128 -11.464 0.834 -7.191 1.00 0.00 H new ATOM 0 HA PHE A 128 -12.653 1.890 -4.753 1.00 0.00 H new ATOM 0 HB2 PHE A 128 -9.996 0.705 -5.689 1.00 0.00 H new ATOM 0 HB3 PHE A 128 -10.160 1.370 -4.076 1.00 0.00 H new ATOM 0 HD1 PHE A 128 -11.543 0.249 -2.411 1.00 0.00 H new ATOM 0 HD2 PHE A 128 -11.112 -1.366 -6.293 1.00 0.00 H new ATOM 0 HE1 PHE A 128 -12.466 -1.930 -1.606 1.00 0.00 H new ATOM 0 HE2 PHE A 128 -12.035 -3.545 -5.488 1.00 0.00 H new ATOM 0 HZ PHE A 128 -12.701 -3.802 -3.154 1.00 0.00 H new ATOM 2017 N TYR A 129 -11.763 4.153 -4.614 1.00 0.00 N ATOM 2018 CA TYR A 129 -11.305 5.529 -4.538 1.00 0.00 C ATOM 2019 C TYR A 129 -10.669 5.821 -3.178 1.00 0.00 C ATOM 2020 O TYR A 129 -10.852 5.063 -2.227 1.00 0.00 O ATOM 2021 CB TYR A 129 -12.554 6.399 -4.700 1.00 0.00 C ATOM 2022 CG TYR A 129 -13.696 6.030 -3.752 1.00 0.00 C ATOM 2023 CD1 TYR A 129 -13.676 6.468 -2.444 1.00 0.00 C ATOM 2024 CD2 TYR A 129 -14.748 5.259 -4.205 1.00 0.00 C ATOM 2025 CE1 TYR A 129 -14.752 6.121 -1.551 1.00 0.00 C ATOM 2026 CE2 TYR A 129 -15.823 4.912 -3.313 1.00 0.00 C ATOM 2027 CZ TYR A 129 -15.772 5.360 -2.030 1.00 0.00 C ATOM 2028 OH TYR A 129 -16.788 5.032 -1.187 1.00 0.00 O ATOM 0 H TYR A 129 -12.547 3.930 -4.001 1.00 0.00 H new ATOM 0 HA TYR A 129 -10.555 5.726 -5.304 1.00 0.00 H new ATOM 0 HB2 TYR A 129 -12.282 7.442 -4.536 1.00 0.00 H new ATOM 0 HB3 TYR A 129 -12.909 6.320 -5.728 1.00 0.00 H new ATOM 0 HD1 TYR A 129 -12.853 7.071 -2.089 1.00 0.00 H new ATOM 0 HD2 TYR A 129 -14.764 4.916 -5.229 1.00 0.00 H new ATOM 0 HE1 TYR A 129 -14.749 6.458 -0.525 1.00 0.00 H new ATOM 0 HE2 TYR A 129 -16.651 4.309 -3.655 1.00 0.00 H new ATOM 0 HH TYR A 129 -17.447 4.487 -1.665 1.00 0.00 H new ATOM 2038 N PRO A 130 -9.914 6.951 -3.127 1.00 0.00 N ATOM 2039 CA PRO A 130 -9.249 7.352 -1.899 1.00 0.00 C ATOM 2040 C PRO A 130 -10.249 7.935 -0.899 1.00 0.00 C ATOM 2041 O PRO A 130 -10.939 8.908 -1.200 1.00 0.00 O ATOM 2042 CB PRO A 130 -8.192 8.354 -2.334 1.00 0.00 C ATOM 2043 CG PRO A 130 -8.608 8.826 -3.717 1.00 0.00 C ATOM 2044 CD PRO A 130 -9.674 7.873 -4.233 1.00 0.00 C ATOM 0 HA PRO A 130 -8.792 6.513 -1.375 1.00 0.00 H new ATOM 0 HB2 PRO A 130 -8.136 9.190 -1.637 1.00 0.00 H new ATOM 0 HB3 PRO A 130 -7.204 7.893 -2.359 1.00 0.00 H new ATOM 0 HG2 PRO A 130 -8.995 9.844 -3.673 1.00 0.00 H new ATOM 0 HG3 PRO A 130 -7.750 8.840 -4.390 1.00 0.00 H new ATOM 0 HD2 PRO A 130 -10.584 8.407 -4.507 1.00 0.00 H new ATOM 0 HD3 PRO A 130 -9.334 7.344 -5.123 1.00 0.00 H new ATOM 2052 N LEU A 131 -10.297 7.314 0.271 1.00 0.00 N ATOM 2053 CA LEU A 131 -11.202 7.759 1.317 1.00 0.00 C ATOM 2054 C LEU A 131 -10.669 9.056 1.929 1.00 0.00 C ATOM 2055 O LEU A 131 -11.131 10.144 1.585 1.00 0.00 O ATOM 2056 CB LEU A 131 -11.426 6.644 2.341 1.00 0.00 C ATOM 2057 CG LEU A 131 -11.919 5.308 1.780 1.00 0.00 C ATOM 2058 CD1 LEU A 131 -12.053 4.264 2.890 1.00 0.00 C ATOM 2059 CD2 LEU A 131 -13.224 5.488 1.002 1.00 0.00 C ATOM 0 H LEU A 131 -9.724 6.507 0.517 1.00 0.00 H new ATOM 0 HA LEU A 131 -12.185 7.982 0.901 1.00 0.00 H new ATOM 0 HB2 LEU A 131 -10.489 6.470 2.870 1.00 0.00 H new ATOM 0 HB3 LEU A 131 -12.148 6.995 3.078 1.00 0.00 H new ATOM 0 HG LEU A 131 -11.174 4.937 1.077 1.00 0.00 H new ATOM 0 HD11 LEU A 131 -12.405 3.324 2.465 1.00 0.00 H new ATOM 0 HD12 LEU A 131 -11.083 4.108 3.362 1.00 0.00 H new ATOM 0 HD13 LEU A 131 -12.767 4.615 3.635 1.00 0.00 H new ATOM 0 HD21 LEU A 131 -13.552 4.524 0.614 1.00 0.00 H new ATOM 0 HD22 LEU A 131 -13.990 5.893 1.664 1.00 0.00 H new ATOM 0 HD23 LEU A 131 -13.061 6.176 0.173 1.00 0.00 H new ATOM 2071 N GLU A 132 -9.705 8.899 2.824 1.00 0.00 N ATOM 2072 CA GLU A 132 -9.105 10.045 3.486 1.00 0.00 C ATOM 2073 C GLU A 132 -8.252 10.843 2.498 1.00 0.00 C ATOM 2074 O GLU A 132 -7.081 10.530 2.290 1.00 0.00 O ATOM 2075 CB GLU A 132 -8.278 9.607 4.696 1.00 0.00 C ATOM 2076 CG GLU A 132 -8.945 10.041 6.003 1.00 0.00 C ATOM 2077 CD GLU A 132 -9.734 8.887 6.625 1.00 0.00 C ATOM 2078 OE1 GLU A 132 -9.074 7.990 7.193 1.00 0.00 O ATOM 2079 OE2 GLU A 132 -10.978 8.928 6.519 1.00 0.00 O ATOM 0 H GLU A 132 -9.324 7.996 3.106 1.00 0.00 H new ATOM 0 HA GLU A 132 -9.905 10.691 3.848 1.00 0.00 H new ATOM 0 HB2 GLU A 132 -8.159 8.524 4.687 1.00 0.00 H new ATOM 0 HB3 GLU A 132 -7.279 10.038 4.633 1.00 0.00 H new ATOM 0 HG2 GLU A 132 -8.187 10.388 6.705 1.00 0.00 H new ATOM 0 HG3 GLU A 132 -9.612 10.882 5.813 1.00 0.00 H new