USER MOD reduce.3.24.130724 H: found=0, std=0, add=824, rem=0, adj=24 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 61 LYS NZ :NH3+ -149:sc= 0.278 (180deg=-0.761) USER MOD Set 1.2: A 63 GLN : amide:sc= -0.542 K(o=-0.26,f=-7.1!) USER MOD Single : A 27 SER OG : rot -36:sc= 1.14 USER MOD Single : A 31 HIS :FLIP no HD1:sc= -1.94 F(o=-3.8!,f=-1.9) USER MOD Single : A 32 SER OG : rot 180:sc= 0 USER MOD Single : A 34 HIS : no HD1:sc= -0.585 X(o=-0.58,f=-0.68) USER MOD Single : A 38 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 41 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 44 SER OG : rot 180:sc= 0 USER MOD Single : A 46 THR OG1 : rot 180:sc= -1.09 USER MOD Single : A 54 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 56 THR OG1 : rot 180:sc= -0.164 USER MOD Single : A 57 ASN : amide:sc= -0.145 K(o=-0.15,f=-1.9!) USER MOD Single : A 58 SER OG : rot 180:sc= 0 USER MOD Single : A 59 TYR OH : rot 180:sc= 0 USER MOD Single : A 60 TYR OH : rot 180:sc= -0.94 USER MOD Single : A 73 TYR OH : rot -141:sc= 0.00706 USER MOD Single : A 78 SER OG : rot 176:sc= -1.2 USER MOD Single : A 88 SER OG : rot 33:sc= 0.2 USER MOD Single : A 89 ASN : amide:sc= -0.39 K(o=-0.39,f=-2.2!) USER MOD Single : A 90 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 93 GLN : amide:sc= -0.65 X(o=-0.65,f=-1.1!) USER MOD Single : A 94 MET CE :methyl 132:sc= -1.29 (180deg=-1.71) USER MOD Single : A 96 SER OG : rot 180:sc= 0 USER MOD Single : A 97 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 103 HIS :FLIP no HD1:sc= -4.23! C(o=-4.8!,f=-4.2!) USER MOD Single : A 105 MET CE :methyl -155:sc= -0.691 (180deg=-2.45!) USER MOD Single : A 106 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 108 TYR OH : rot 180:sc= 0 USER MOD Single : A 111 LYS NZ :NH3+ 172:sc= 0.291 (180deg=0.261) USER MOD Single : A 112 THR OG1 : rot -76:sc= 1.01 USER MOD Single : A 114 ASN : amide:sc= 0.507 K(o=0.51,f=-0.058) USER MOD Single : A 117 HIS : no HD1:sc= -0.364 X(o=-0.36,f=-0.75!) 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= -0.0128 X(o=-0.013,f=0) USER MOD Single : A 122 THR OG1 : rot 180:sc= 0 USER MOD Single : A 123 LYS NZ :NH3+ 180:sc= 0 (180deg=0) 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 4.243 7.857 7.308 1.00 0.00 N ATOM 288 CA ALA A 21 3.099 7.021 7.630 1.00 0.00 C ATOM 289 C ALA A 21 3.549 5.879 8.543 1.00 0.00 C ATOM 290 O ALA A 21 4.742 5.601 8.654 1.00 0.00 O ATOM 291 CB ALA A 21 2.456 6.516 6.337 1.00 0.00 C ATOM 0 HA ALA A 21 2.343 7.594 8.167 1.00 0.00 H new ATOM 0 HB1 ALA A 21 1.598 5.889 6.578 1.00 0.00 H new ATOM 0 HB2 ALA A 21 2.128 7.365 5.738 1.00 0.00 H new ATOM 0 HB3 ALA A 21 3.184 5.933 5.772 1.00 0.00 H new ATOM 297 N ALA A 22 2.570 5.247 9.173 1.00 0.00 N ATOM 298 CA ALA A 22 2.850 4.141 10.073 1.00 0.00 C ATOM 299 C ALA A 22 2.402 2.832 9.420 1.00 0.00 C ATOM 300 O ALA A 22 1.280 2.733 8.926 1.00 0.00 O ATOM 301 CB ALA A 22 2.161 4.388 11.416 1.00 0.00 C ATOM 0 H ALA A 22 1.581 5.480 9.078 1.00 0.00 H new ATOM 0 HA ALA A 22 3.920 4.064 10.265 1.00 0.00 H new ATOM 0 HB1 ALA A 22 2.371 3.558 12.091 1.00 0.00 H new ATOM 0 HB2 ALA A 22 2.535 5.314 11.852 1.00 0.00 H new ATOM 0 HB3 ALA A 22 1.085 4.468 11.263 1.00 0.00 H new ATOM 307 N VAL A 23 3.302 1.860 9.439 1.00 0.00 N ATOM 308 CA VAL A 23 3.013 0.561 8.855 1.00 0.00 C ATOM 309 C VAL A 23 1.828 -0.071 9.588 1.00 0.00 C ATOM 310 O VAL A 23 1.535 0.288 10.727 1.00 0.00 O ATOM 311 CB VAL A 23 4.267 -0.314 8.880 1.00 0.00 C ATOM 312 CG1 VAL A 23 3.914 -1.785 8.649 1.00 0.00 C ATOM 313 CG2 VAL A 23 5.294 0.170 7.854 1.00 0.00 C ATOM 0 H VAL A 23 4.232 1.946 9.850 1.00 0.00 H new ATOM 0 HA VAL A 23 2.728 0.668 7.808 1.00 0.00 H new ATOM 0 HB VAL A 23 4.715 -0.228 9.870 1.00 0.00 H new ATOM 0 HG11 VAL A 23 4.824 -2.385 8.672 1.00 0.00 H new ATOM 0 HG12 VAL A 23 3.236 -2.124 9.432 1.00 0.00 H new ATOM 0 HG13 VAL A 23 3.431 -1.895 7.678 1.00 0.00 H new ATOM 0 HG21 VAL A 23 6.176 -0.469 7.893 1.00 0.00 H new ATOM 0 HG22 VAL A 23 4.859 0.128 6.856 1.00 0.00 H new ATOM 0 HG23 VAL A 23 5.580 1.197 8.082 1.00 0.00 H new ATOM 323 N ASP A 24 1.178 -1.001 8.904 1.00 0.00 N ATOM 324 CA ASP A 24 0.032 -1.687 9.476 1.00 0.00 C ATOM 325 C ASP A 24 0.519 -2.754 10.458 1.00 0.00 C ATOM 326 O ASP A 24 1.569 -3.360 10.251 1.00 0.00 O ATOM 327 CB ASP A 24 -0.791 -2.383 8.390 1.00 0.00 C ATOM 328 CG ASP A 24 -2.300 -2.143 8.469 1.00 0.00 C ATOM 329 OD1 ASP A 24 -2.684 -0.955 8.521 1.00 0.00 O ATOM 330 OD2 ASP A 24 -3.036 -3.154 8.476 1.00 0.00 O ATOM 0 H ASP A 24 1.423 -1.296 7.959 1.00 0.00 H new ATOM 0 HA ASP A 24 -0.589 -0.945 9.979 1.00 0.00 H new ATOM 0 HB2 ASP A 24 -0.436 -2.048 7.415 1.00 0.00 H new ATOM 0 HB3 ASP A 24 -0.605 -3.456 8.446 1.00 0.00 H new ATOM 335 N PRO A 25 -0.288 -2.958 11.533 1.00 0.00 N ATOM 336 CA PRO A 25 0.050 -3.941 12.548 1.00 0.00 C ATOM 337 C PRO A 25 -0.209 -5.362 12.041 1.00 0.00 C ATOM 338 O PRO A 25 0.375 -6.320 12.545 1.00 0.00 O ATOM 339 CB PRO A 25 -0.804 -3.575 13.751 1.00 0.00 C ATOM 340 CG PRO A 25 -1.921 -2.693 13.216 1.00 0.00 C ATOM 341 CD PRO A 25 -1.540 -2.259 11.811 1.00 0.00 C ATOM 0 HA PRO A 25 1.108 -3.929 12.810 1.00 0.00 H new ATOM 0 HB2 PRO A 25 -1.207 -4.467 14.230 1.00 0.00 H new ATOM 0 HB3 PRO A 25 -0.216 -3.048 14.502 1.00 0.00 H new ATOM 0 HG2 PRO A 25 -2.865 -3.238 13.204 1.00 0.00 H new ATOM 0 HG3 PRO A 25 -2.062 -1.824 13.859 1.00 0.00 H new ATOM 0 HD2 PRO A 25 -2.312 -2.528 11.090 1.00 0.00 H new ATOM 0 HD3 PRO A 25 -1.412 -1.178 11.752 1.00 0.00 H new ATOM 349 N ASP A 26 -1.085 -5.453 11.051 1.00 0.00 N ATOM 350 CA ASP A 26 -1.428 -6.740 10.472 1.00 0.00 C ATOM 351 C ASP A 26 -0.221 -7.289 9.708 1.00 0.00 C ATOM 352 O ASP A 26 -0.059 -8.502 9.584 1.00 0.00 O ATOM 353 CB ASP A 26 -2.590 -6.608 9.486 1.00 0.00 C ATOM 354 CG ASP A 26 -3.981 -6.602 10.124 1.00 0.00 C ATOM 355 OD1 ASP A 26 -4.117 -7.232 11.195 1.00 0.00 O ATOM 356 OD2 ASP A 26 -4.877 -5.969 9.525 1.00 0.00 O ATOM 0 H ASP A 26 -1.567 -4.656 10.635 1.00 0.00 H new ATOM 0 HA ASP A 26 -1.717 -7.408 11.283 1.00 0.00 H new ATOM 0 HB2 ASP A 26 -2.463 -5.686 8.919 1.00 0.00 H new ATOM 0 HB3 ASP A 26 -2.537 -7.431 8.773 1.00 0.00 H new ATOM 361 N SER A 27 0.596 -6.369 9.216 1.00 0.00 N ATOM 362 CA SER A 27 1.784 -6.745 8.469 1.00 0.00 C ATOM 363 C SER A 27 2.866 -7.250 9.425 1.00 0.00 C ATOM 364 O SER A 27 3.751 -8.004 9.023 1.00 0.00 O ATOM 365 CB SER A 27 2.311 -5.569 7.644 1.00 0.00 C ATOM 366 OG SER A 27 2.887 -4.557 8.464 1.00 0.00 O ATOM 0 H SER A 27 0.458 -5.364 9.320 1.00 0.00 H new ATOM 0 HA SER A 27 1.515 -7.546 7.780 1.00 0.00 H new ATOM 0 HB2 SER A 27 3.057 -5.929 6.935 1.00 0.00 H new ATOM 0 HB3 SER A 27 1.496 -5.142 7.060 1.00 0.00 H new ATOM 0 HG SER A 27 2.384 -4.490 9.302 1.00 0.00 H new ATOM 372 N GLY A 28 2.761 -6.813 10.671 1.00 0.00 N ATOM 373 CA GLY A 28 3.720 -7.211 11.687 1.00 0.00 C ATOM 374 C GLY A 28 5.091 -6.587 11.421 1.00 0.00 C ATOM 375 O GLY A 28 6.075 -6.941 12.070 1.00 0.00 O ATOM 0 H GLY A 28 2.026 -6.187 11.000 1.00 0.00 H new ATOM 0 HA2 GLY A 28 3.362 -6.905 12.670 1.00 0.00 H new ATOM 0 HA3 GLY A 28 3.808 -8.297 11.704 1.00 0.00 H new ATOM 379 N LEU A 29 5.114 -5.670 10.465 1.00 0.00 N ATOM 380 CA LEU A 29 6.348 -4.994 10.106 1.00 0.00 C ATOM 381 C LEU A 29 6.399 -3.631 10.800 1.00 0.00 C ATOM 382 O LEU A 29 7.394 -2.914 10.695 1.00 0.00 O ATOM 383 CB LEU A 29 6.492 -4.915 8.585 1.00 0.00 C ATOM 384 CG LEU A 29 5.896 -6.081 7.793 1.00 0.00 C ATOM 385 CD1 LEU A 29 6.004 -5.833 6.287 1.00 0.00 C ATOM 386 CD2 LEU A 29 6.539 -7.407 8.203 1.00 0.00 C ATOM 0 H LEU A 29 4.297 -5.380 9.928 1.00 0.00 H new ATOM 0 HA LEU A 29 7.210 -5.563 10.456 1.00 0.00 H new ATOM 0 HB2 LEU A 29 6.023 -3.992 8.243 1.00 0.00 H new ATOM 0 HB3 LEU A 29 7.552 -4.842 8.344 1.00 0.00 H new ATOM 0 HG LEU A 29 4.835 -6.150 8.032 1.00 0.00 H new ATOM 0 HD11 LEU A 29 5.573 -6.677 5.748 1.00 0.00 H new ATOM 0 HD12 LEU A 29 5.463 -4.923 6.028 1.00 0.00 H new ATOM 0 HD13 LEU A 29 7.053 -5.723 6.011 1.00 0.00 H new ATOM 0 HD21 LEU A 29 6.098 -8.219 7.625 1.00 0.00 H new ATOM 0 HD22 LEU A 29 7.611 -7.366 8.011 1.00 0.00 H new ATOM 0 HD23 LEU A 29 6.367 -7.582 9.265 1.00 0.00 H new ATOM 398 N GLU A 30 5.315 -3.315 11.492 1.00 0.00 N ATOM 399 CA GLU A 30 5.224 -2.051 12.203 1.00 0.00 C ATOM 400 C GLU A 30 6.377 -1.918 13.200 1.00 0.00 C ATOM 401 O GLU A 30 6.672 -0.820 13.670 1.00 0.00 O ATOM 402 CB GLU A 30 3.872 -1.914 12.907 1.00 0.00 C ATOM 403 CG GLU A 30 3.457 -3.234 13.558 1.00 0.00 C ATOM 404 CD GLU A 30 2.447 -2.997 14.683 1.00 0.00 C ATOM 405 OE1 GLU A 30 2.024 -1.830 14.829 1.00 0.00 O ATOM 406 OE2 GLU A 30 2.122 -3.989 15.371 1.00 0.00 O ATOM 0 H GLU A 30 4.492 -3.912 11.576 1.00 0.00 H new ATOM 0 HA GLU A 30 5.302 -1.242 11.477 1.00 0.00 H new ATOM 0 HB2 GLU A 30 3.930 -1.133 13.665 1.00 0.00 H new ATOM 0 HB3 GLU A 30 3.113 -1.605 12.188 1.00 0.00 H new ATOM 0 HG2 GLU A 30 3.022 -3.893 12.807 1.00 0.00 H new ATOM 0 HG3 GLU A 30 4.337 -3.740 13.955 1.00 0.00 H new ATOM 413 N HIS A 31 6.998 -3.051 13.493 1.00 0.00 N ATOM 414 CA HIS A 31 8.112 -3.075 14.425 1.00 0.00 C ATOM 415 C HIS A 31 9.366 -3.587 13.713 1.00 0.00 C ATOM 416 O HIS A 31 10.365 -3.902 14.358 1.00 0.00 O ATOM 417 CB HIS A 31 7.761 -3.893 15.670 1.00 0.00 C ATOM 418 CG HIS A 31 6.707 -4.949 15.434 1.00 0.00 C ATOM 419 ND1 HIS A 31 5.435 -5.060 15.913 1.00 0.00 N flip ATOM 420 CD2 HIS A 31 6.917 -6.050 14.622 1.00 0.00 C flip ATOM 421 CE1 HIS A 31 4.896 -6.168 15.419 1.00 0.00 C flip ATOM 422 NE2 HIS A 31 5.814 -6.784 14.619 1.00 0.00 N flip ATOM 0 H HIS A 31 6.750 -3.960 13.101 1.00 0.00 H new ATOM 0 HA HIS A 31 8.322 -2.064 14.773 1.00 0.00 H new ATOM 0 HB2 HIS A 31 8.665 -4.374 16.043 1.00 0.00 H new ATOM 0 HB3 HIS A 31 7.414 -3.216 16.451 1.00 0.00 H new ATOM 0 HD2 HIS A 31 7.826 -6.273 14.082 1.00 0.00 H new ATOM 0 HE1 HIS A 31 3.896 -6.523 15.618 1.00 0.00 H new ATOM 0 HE2 HIS A 31 5.675 -7.656 14.109 1.00 0.00 H new ATOM 430 N SER A 32 9.272 -3.654 12.393 1.00 0.00 N ATOM 431 CA SER A 32 10.386 -4.123 11.587 1.00 0.00 C ATOM 432 C SER A 32 10.632 -3.159 10.425 1.00 0.00 C ATOM 433 O SER A 32 11.680 -2.517 10.357 1.00 0.00 O ATOM 434 CB SER A 32 10.129 -5.535 11.059 1.00 0.00 C ATOM 435 OG SER A 32 11.029 -6.487 11.621 1.00 0.00 O ATOM 0 H SER A 32 8.442 -3.391 11.862 1.00 0.00 H new ATOM 0 HA SER A 32 11.274 -4.157 12.218 1.00 0.00 H new ATOM 0 HB2 SER A 32 9.104 -5.826 11.287 1.00 0.00 H new ATOM 0 HB3 SER A 32 10.228 -5.540 9.973 1.00 0.00 H new ATOM 0 HG SER A 32 10.831 -7.377 11.260 1.00 0.00 H new ATOM 441 N ALA A 33 9.650 -3.087 9.539 1.00 0.00 N ATOM 442 CA ALA A 33 9.747 -2.212 8.383 1.00 0.00 C ATOM 443 C ALA A 33 8.877 -0.974 8.611 1.00 0.00 C ATOM 444 O ALA A 33 8.058 -0.948 9.528 1.00 0.00 O ATOM 445 CB ALA A 33 9.344 -2.983 7.124 1.00 0.00 C ATOM 0 H ALA A 33 8.783 -3.621 9.598 1.00 0.00 H new ATOM 0 HA ALA A 33 10.773 -1.873 8.244 1.00 0.00 H new ATOM 0 HB1 ALA A 33 9.417 -2.327 6.257 1.00 0.00 H new ATOM 0 HB2 ALA A 33 10.010 -3.836 6.991 1.00 0.00 H new ATOM 0 HB3 ALA A 33 8.318 -3.336 7.227 1.00 0.00 H new ATOM 451 N HIS A 34 9.086 0.021 7.762 1.00 0.00 N ATOM 452 CA HIS A 34 8.331 1.259 7.860 1.00 0.00 C ATOM 453 C HIS A 34 7.746 1.613 6.491 1.00 0.00 C ATOM 454 O HIS A 34 8.224 1.132 5.464 1.00 0.00 O ATOM 455 CB HIS A 34 9.197 2.378 8.442 1.00 0.00 C ATOM 456 CG HIS A 34 10.495 2.599 7.702 1.00 0.00 C ATOM 457 ND1 HIS A 34 11.734 2.424 8.293 1.00 0.00 N ATOM 458 CD2 HIS A 34 10.733 2.981 6.414 1.00 0.00 C ATOM 459 CE1 HIS A 34 12.668 2.692 7.393 1.00 0.00 C ATOM 460 NE2 HIS A 34 12.046 3.037 6.230 1.00 0.00 N ATOM 0 H HIS A 34 9.767 -0.005 7.003 1.00 0.00 H new ATOM 0 HA HIS A 34 7.497 1.128 8.550 1.00 0.00 H new ATOM 0 HB2 HIS A 34 8.625 3.306 8.437 1.00 0.00 H new ATOM 0 HB3 HIS A 34 9.419 2.147 9.484 1.00 0.00 H new ATOM 0 HD2 HIS A 34 9.981 3.200 5.671 1.00 0.00 H new ATOM 0 HE1 HIS A 34 13.735 2.645 7.552 1.00 0.00 H new ATOM 0 HE2 HIS A 34 12.513 3.296 5.361 1.00 0.00 H new ATOM 468 N VAL A 35 6.720 2.451 6.521 1.00 0.00 N ATOM 469 CA VAL A 35 6.065 2.875 5.295 1.00 0.00 C ATOM 470 C VAL A 35 7.121 3.348 4.294 1.00 0.00 C ATOM 471 O VAL A 35 7.942 4.207 4.612 1.00 0.00 O ATOM 472 CB VAL A 35 5.015 3.943 5.606 1.00 0.00 C ATOM 473 CG1 VAL A 35 4.303 4.400 4.331 1.00 0.00 C ATOM 474 CG2 VAL A 35 4.011 3.440 6.644 1.00 0.00 C ATOM 0 H VAL A 35 6.326 2.848 7.374 1.00 0.00 H new ATOM 0 HA VAL A 35 5.535 2.040 4.837 1.00 0.00 H new ATOM 0 HB VAL A 35 5.530 4.805 6.029 1.00 0.00 H new ATOM 0 HG11 VAL A 35 3.562 5.159 4.580 1.00 0.00 H new ATOM 0 HG12 VAL A 35 5.032 4.819 3.637 1.00 0.00 H new ATOM 0 HG13 VAL A 35 3.807 3.548 3.866 1.00 0.00 H new ATOM 0 HG21 VAL A 35 3.276 4.219 6.847 1.00 0.00 H new ATOM 0 HG22 VAL A 35 3.505 2.554 6.261 1.00 0.00 H new ATOM 0 HG23 VAL A 35 4.536 3.188 7.566 1.00 0.00 H new ATOM 484 N LEU A 36 7.066 2.766 3.105 1.00 0.00 N ATOM 485 CA LEU A 36 8.008 3.117 2.056 1.00 0.00 C ATOM 486 C LEU A 36 7.687 4.520 1.538 1.00 0.00 C ATOM 487 O LEU A 36 6.563 4.789 1.118 1.00 0.00 O ATOM 488 CB LEU A 36 8.018 2.045 0.964 1.00 0.00 C ATOM 489 CG LEU A 36 9.097 2.192 -0.110 1.00 0.00 C ATOM 490 CD1 LEU A 36 8.554 2.930 -1.336 1.00 0.00 C ATOM 491 CD2 LEU A 36 10.348 2.866 0.457 1.00 0.00 C ATOM 0 H LEU A 36 6.384 2.054 2.845 1.00 0.00 H new ATOM 0 HA LEU A 36 9.024 3.147 2.450 1.00 0.00 H new ATOM 0 HB2 LEU A 36 8.137 1.071 1.439 1.00 0.00 H new ATOM 0 HB3 LEU A 36 7.044 2.044 0.475 1.00 0.00 H new ATOM 0 HG LEU A 36 9.390 1.195 -0.438 1.00 0.00 H new ATOM 0 HD11 LEU A 36 9.341 3.021 -2.084 1.00 0.00 H new ATOM 0 HD12 LEU A 36 7.717 2.372 -1.756 1.00 0.00 H new ATOM 0 HD13 LEU A 36 8.216 3.924 -1.042 1.00 0.00 H new ATOM 0 HD21 LEU A 36 11.099 2.958 -0.328 1.00 0.00 H new ATOM 0 HD22 LEU A 36 10.090 3.857 0.830 1.00 0.00 H new ATOM 0 HD23 LEU A 36 10.748 2.264 1.273 1.00 0.00 H new ATOM 503 N GLU A 37 8.696 5.378 1.583 1.00 0.00 N ATOM 504 CA GLU A 37 8.535 6.747 1.123 1.00 0.00 C ATOM 505 C GLU A 37 9.357 6.981 -0.146 1.00 0.00 C ATOM 506 O GLU A 37 10.519 6.583 -0.219 1.00 0.00 O ATOM 507 CB GLU A 37 8.923 7.743 2.219 1.00 0.00 C ATOM 508 CG GLU A 37 7.692 8.208 2.998 1.00 0.00 C ATOM 509 CD GLU A 37 8.027 8.426 4.475 1.00 0.00 C ATOM 510 OE1 GLU A 37 8.868 9.311 4.741 1.00 0.00 O ATOM 511 OE2 GLU A 37 7.434 7.702 5.304 1.00 0.00 O ATOM 0 H GLU A 37 9.628 5.152 1.931 1.00 0.00 H new ATOM 0 HA GLU A 37 7.483 6.909 0.886 1.00 0.00 H new ATOM 0 HB2 GLU A 37 9.636 7.279 2.901 1.00 0.00 H new ATOM 0 HB3 GLU A 37 9.422 8.603 1.773 1.00 0.00 H new ATOM 0 HG2 GLU A 37 7.313 9.135 2.567 1.00 0.00 H new ATOM 0 HG3 GLU A 37 6.898 7.466 2.907 1.00 0.00 H new ATOM 518 N LYS A 38 8.722 7.625 -1.114 1.00 0.00 N ATOM 519 CA LYS A 38 9.380 7.916 -2.376 1.00 0.00 C ATOM 520 C LYS A 38 8.901 9.273 -2.895 1.00 0.00 C ATOM 521 O LYS A 38 7.791 9.703 -2.585 1.00 0.00 O ATOM 522 CB LYS A 38 9.169 6.769 -3.367 1.00 0.00 C ATOM 523 CG LYS A 38 10.380 6.612 -4.289 1.00 0.00 C ATOM 524 CD LYS A 38 10.329 5.278 -5.037 1.00 0.00 C ATOM 525 CE LYS A 38 10.703 5.461 -6.510 1.00 0.00 C ATOM 526 NZ LYS A 38 9.845 4.617 -7.371 1.00 0.00 N ATOM 0 H LYS A 38 7.758 7.954 -1.050 1.00 0.00 H new ATOM 0 HA LYS A 38 10.458 7.991 -2.235 1.00 0.00 H new ATOM 0 HB2 LYS A 38 8.999 5.840 -2.823 1.00 0.00 H new ATOM 0 HB3 LYS A 38 8.276 6.958 -3.963 1.00 0.00 H new ATOM 0 HG2 LYS A 38 10.406 7.434 -5.005 1.00 0.00 H new ATOM 0 HG3 LYS A 38 11.298 6.670 -3.704 1.00 0.00 H new ATOM 0 HD2 LYS A 38 11.012 4.569 -4.570 1.00 0.00 H new ATOM 0 HD3 LYS A 38 9.328 4.853 -4.962 1.00 0.00 H new ATOM 0 HE2 LYS A 38 10.593 6.508 -6.792 1.00 0.00 H new ATOM 0 HE3 LYS A 38 11.750 5.198 -6.661 1.00 0.00 H new ATOM 0 HZ1 LYS A 38 10.112 4.753 -8.367 1.00 0.00 H new ATOM 0 HZ2 LYS A 38 9.970 3.617 -7.112 1.00 0.00 H new ATOM 0 HZ3 LYS A 38 8.849 4.887 -7.240 1.00 0.00 H new ATOM 540 N GLY A 39 9.761 9.910 -3.675 1.00 0.00 N ATOM 541 CA GLY A 39 9.440 11.209 -4.240 1.00 0.00 C ATOM 542 C GLY A 39 8.654 12.062 -3.242 1.00 0.00 C ATOM 543 O GLY A 39 7.539 12.493 -3.531 1.00 0.00 O ATOM 0 H GLY A 39 10.681 9.550 -3.929 1.00 0.00 H new ATOM 0 HA2 GLY A 39 10.359 11.725 -4.520 1.00 0.00 H new ATOM 0 HA3 GLY A 39 8.857 11.079 -5.151 1.00 0.00 H new ATOM 547 N GLY A 40 9.267 12.279 -2.087 1.00 0.00 N ATOM 548 CA GLY A 40 8.639 13.073 -1.045 1.00 0.00 C ATOM 549 C GLY A 40 7.165 12.696 -0.882 1.00 0.00 C ATOM 550 O GLY A 40 6.317 13.564 -0.683 1.00 0.00 O ATOM 0 H GLY A 40 10.191 11.919 -1.850 1.00 0.00 H new ATOM 0 HA2 GLY A 40 9.163 12.921 -0.101 1.00 0.00 H new ATOM 0 HA3 GLY A 40 8.722 14.132 -1.290 1.00 0.00 H new ATOM 554 N LYS A 41 6.905 11.399 -0.973 1.00 0.00 N ATOM 555 CA LYS A 41 5.549 10.897 -0.838 1.00 0.00 C ATOM 556 C LYS A 41 5.549 9.682 0.093 1.00 0.00 C ATOM 557 O LYS A 41 6.610 9.177 0.459 1.00 0.00 O ATOM 558 CB LYS A 41 4.942 10.616 -2.214 1.00 0.00 C ATOM 559 CG LYS A 41 4.519 11.916 -2.902 1.00 0.00 C ATOM 560 CD LYS A 41 3.054 12.241 -2.608 1.00 0.00 C ATOM 561 CE LYS A 41 2.160 11.864 -3.791 1.00 0.00 C ATOM 562 NZ LYS A 41 1.177 12.937 -4.061 1.00 0.00 N ATOM 0 H LYS A 41 7.611 10.682 -1.139 1.00 0.00 H new ATOM 0 HA LYS A 41 4.908 11.651 -0.380 1.00 0.00 H new ATOM 0 HB2 LYS A 41 5.668 10.091 -2.835 1.00 0.00 H new ATOM 0 HB3 LYS A 41 4.079 9.959 -2.107 1.00 0.00 H new ATOM 0 HG2 LYS A 41 5.152 12.735 -2.561 1.00 0.00 H new ATOM 0 HG3 LYS A 41 4.666 11.826 -3.978 1.00 0.00 H new ATOM 0 HD2 LYS A 41 2.730 11.703 -1.717 1.00 0.00 H new ATOM 0 HD3 LYS A 41 2.950 13.305 -2.393 1.00 0.00 H new ATOM 0 HE2 LYS A 41 2.772 11.692 -4.677 1.00 0.00 H new ATOM 0 HE3 LYS A 41 1.639 10.931 -3.578 1.00 0.00 H new ATOM 0 HZ1 LYS A 41 0.578 12.665 -4.867 1.00 0.00 H new ATOM 0 HZ2 LYS A 41 0.582 13.082 -3.221 1.00 0.00 H new ATOM 0 HZ3 LYS A 41 1.679 13.820 -4.286 1.00 0.00 H new ATOM 576 N VAL A 42 4.349 9.249 0.449 1.00 0.00 N ATOM 577 CA VAL A 42 4.198 8.104 1.330 1.00 0.00 C ATOM 578 C VAL A 42 3.312 7.057 0.651 1.00 0.00 C ATOM 579 O VAL A 42 2.293 7.396 0.051 1.00 0.00 O ATOM 580 CB VAL A 42 3.656 8.556 2.688 1.00 0.00 C ATOM 581 CG1 VAL A 42 3.149 7.362 3.500 1.00 0.00 C ATOM 582 CG2 VAL A 42 4.714 9.340 3.467 1.00 0.00 C ATOM 0 H VAL A 42 3.472 9.671 0.143 1.00 0.00 H new ATOM 0 HA VAL A 42 5.165 7.638 1.520 1.00 0.00 H new ATOM 0 HB VAL A 42 2.812 9.222 2.508 1.00 0.00 H new ATOM 0 HG11 VAL A 42 2.769 7.710 4.461 1.00 0.00 H new ATOM 0 HG12 VAL A 42 2.349 6.863 2.953 1.00 0.00 H new ATOM 0 HG13 VAL A 42 3.967 6.661 3.666 1.00 0.00 H new ATOM 0 HG21 VAL A 42 4.303 9.649 4.428 1.00 0.00 H new ATOM 0 HG22 VAL A 42 5.587 8.708 3.632 1.00 0.00 H new ATOM 0 HG23 VAL A 42 5.007 10.222 2.897 1.00 0.00 H new ATOM 592 N PHE A 43 3.732 5.806 0.769 1.00 0.00 N ATOM 593 CA PHE A 43 2.990 4.708 0.175 1.00 0.00 C ATOM 594 C PHE A 43 1.903 4.202 1.126 1.00 0.00 C ATOM 595 O PHE A 43 1.856 3.016 1.446 1.00 0.00 O ATOM 596 CB PHE A 43 3.990 3.579 -0.083 1.00 0.00 C ATOM 597 CG PHE A 43 4.850 3.783 -1.332 1.00 0.00 C ATOM 598 CD1 PHE A 43 5.593 4.914 -1.470 1.00 0.00 C ATOM 599 CD2 PHE A 43 4.871 2.834 -2.306 1.00 0.00 C ATOM 600 CE1 PHE A 43 6.391 5.104 -2.629 1.00 0.00 C ATOM 601 CE2 PHE A 43 5.669 3.023 -3.465 1.00 0.00 C ATOM 602 CZ PHE A 43 6.412 4.154 -3.602 1.00 0.00 C ATOM 0 H PHE A 43 4.577 5.529 1.268 1.00 0.00 H new ATOM 0 HA PHE A 43 2.506 5.041 -0.743 1.00 0.00 H new ATOM 0 HB2 PHE A 43 4.644 3.481 0.784 1.00 0.00 H new ATOM 0 HB3 PHE A 43 3.445 2.640 -0.179 1.00 0.00 H new ATOM 0 HD1 PHE A 43 5.576 5.668 -0.697 1.00 0.00 H new ATOM 0 HD2 PHE A 43 4.280 1.936 -2.198 1.00 0.00 H new ATOM 0 HE1 PHE A 43 6.981 6.002 -2.738 1.00 0.00 H new ATOM 0 HE2 PHE A 43 5.686 2.269 -4.238 1.00 0.00 H new ATOM 0 HZ PHE A 43 7.019 4.298 -4.484 1.00 0.00 H new ATOM 612 N SER A 44 1.056 5.128 1.551 1.00 0.00 N ATOM 613 CA SER A 44 -0.027 4.791 2.458 1.00 0.00 C ATOM 614 C SER A 44 -1.340 5.392 1.952 1.00 0.00 C ATOM 615 O SER A 44 -1.618 6.568 2.180 1.00 0.00 O ATOM 616 CB SER A 44 0.269 5.284 3.876 1.00 0.00 C ATOM 617 OG SER A 44 -0.794 4.987 4.778 1.00 0.00 O ATOM 0 H SER A 44 1.098 6.111 1.284 1.00 0.00 H new ATOM 0 HA SER A 44 -0.120 3.705 2.491 1.00 0.00 H new ATOM 0 HB2 SER A 44 1.189 4.823 4.235 1.00 0.00 H new ATOM 0 HB3 SER A 44 0.438 6.361 3.857 1.00 0.00 H new ATOM 0 HG SER A 44 -0.566 5.316 5.672 1.00 0.00 H new ATOM 623 N ALA A 45 -2.113 4.556 1.273 1.00 0.00 N ATOM 624 CA ALA A 45 -3.390 4.989 0.733 1.00 0.00 C ATOM 625 C ALA A 45 -4.511 4.149 1.348 1.00 0.00 C ATOM 626 O ALA A 45 -4.310 2.979 1.669 1.00 0.00 O ATOM 627 CB ALA A 45 -3.358 4.890 -0.794 1.00 0.00 C ATOM 0 H ALA A 45 -1.879 3.581 1.085 1.00 0.00 H new ATOM 0 HA ALA A 45 -3.581 6.031 0.989 1.00 0.00 H new ATOM 0 HB1 ALA A 45 -4.316 5.215 -1.200 1.00 0.00 H new ATOM 0 HB2 ALA A 45 -2.564 5.527 -1.183 1.00 0.00 H new ATOM 0 HB3 ALA A 45 -3.171 3.857 -1.088 1.00 0.00 H new ATOM 633 N THR A 46 -5.667 4.780 1.494 1.00 0.00 N ATOM 634 CA THR A 46 -6.821 4.105 2.066 1.00 0.00 C ATOM 635 C THR A 46 -8.031 4.241 1.140 1.00 0.00 C ATOM 636 O THR A 46 -8.717 5.262 1.156 1.00 0.00 O ATOM 637 CB THR A 46 -7.058 4.677 3.465 1.00 0.00 C ATOM 638 OG1 THR A 46 -5.902 4.286 4.201 1.00 0.00 O ATOM 639 CG2 THR A 46 -8.214 3.987 4.191 1.00 0.00 C ATOM 0 H THR A 46 -5.830 5.751 1.226 1.00 0.00 H new ATOM 0 HA THR A 46 -6.645 3.034 2.163 1.00 0.00 H new ATOM 0 HB THR A 46 -7.262 5.745 3.391 1.00 0.00 H new ATOM 0 HG1 THR A 46 -5.972 4.618 5.121 1.00 0.00 H new ATOM 0 HG21 THR A 46 -8.340 4.430 5.179 1.00 0.00 H new ATOM 0 HG22 THR A 46 -9.132 4.114 3.617 1.00 0.00 H new ATOM 0 HG23 THR A 46 -7.995 2.924 4.296 1.00 0.00 H new ATOM 647 N LEU A 47 -8.256 3.198 0.355 1.00 0.00 N ATOM 648 CA LEU A 47 -9.372 3.188 -0.575 1.00 0.00 C ATOM 649 C LEU A 47 -10.627 2.689 0.144 1.00 0.00 C ATOM 650 O LEU A 47 -10.535 2.082 1.210 1.00 0.00 O ATOM 651 CB LEU A 47 -9.019 2.382 -1.827 1.00 0.00 C ATOM 652 CG LEU A 47 -7.667 2.699 -2.470 1.00 0.00 C ATOM 653 CD1 LEU A 47 -7.341 1.698 -3.580 1.00 0.00 C ATOM 654 CD2 LEU A 47 -7.623 4.144 -2.969 1.00 0.00 C ATOM 0 H LEU A 47 -7.684 2.353 0.344 1.00 0.00 H new ATOM 0 HA LEU A 47 -9.585 4.198 -0.924 1.00 0.00 H new ATOM 0 HB2 LEU A 47 -9.037 1.323 -1.570 1.00 0.00 H new ATOM 0 HB3 LEU A 47 -9.799 2.543 -2.571 1.00 0.00 H new ATOM 0 HG LEU A 47 -6.894 2.599 -1.709 1.00 0.00 H new ATOM 0 HD11 LEU A 47 -6.375 1.945 -4.021 1.00 0.00 H new ATOM 0 HD12 LEU A 47 -7.302 0.692 -3.163 1.00 0.00 H new ATOM 0 HD13 LEU A 47 -8.113 1.743 -4.348 1.00 0.00 H new ATOM 0 HD21 LEU A 47 -6.652 4.343 -3.421 1.00 0.00 H new ATOM 0 HD22 LEU A 47 -8.407 4.297 -3.711 1.00 0.00 H new ATOM 0 HD23 LEU A 47 -7.779 4.823 -2.131 1.00 0.00 H new ATOM 666 N GLY A 48 -11.770 2.964 -0.467 1.00 0.00 N ATOM 667 CA GLY A 48 -13.041 2.550 0.102 1.00 0.00 C ATOM 668 C GLY A 48 -14.111 2.419 -0.984 1.00 0.00 C ATOM 669 O GLY A 48 -14.430 3.391 -1.666 1.00 0.00 O ATOM 0 H GLY A 48 -11.842 3.469 -1.351 1.00 0.00 H new ATOM 0 HA2 GLY A 48 -12.920 1.596 0.616 1.00 0.00 H new ATOM 0 HA3 GLY A 48 -13.363 3.276 0.849 1.00 0.00 H new ATOM 673 N LEU A 49 -14.635 1.209 -1.110 1.00 0.00 N ATOM 674 CA LEU A 49 -15.663 0.938 -2.101 1.00 0.00 C ATOM 675 C LEU A 49 -16.896 0.359 -1.406 1.00 0.00 C ATOM 676 O LEU A 49 -16.774 -0.469 -0.505 1.00 0.00 O ATOM 677 CB LEU A 49 -15.110 0.047 -3.216 1.00 0.00 C ATOM 678 CG LEU A 49 -15.966 -0.054 -4.480 1.00 0.00 C ATOM 679 CD1 LEU A 49 -17.107 -1.056 -4.290 1.00 0.00 C ATOM 680 CD2 LEU A 49 -16.477 1.323 -4.908 1.00 0.00 C ATOM 0 H LEU A 49 -14.367 0.405 -0.542 1.00 0.00 H new ATOM 0 HA LEU A 49 -15.976 1.862 -2.588 1.00 0.00 H new ATOM 0 HB2 LEU A 49 -14.125 0.420 -3.497 1.00 0.00 H new ATOM 0 HB3 LEU A 49 -14.969 -0.957 -2.816 1.00 0.00 H new ATOM 0 HG LEU A 49 -15.339 -0.429 -5.289 1.00 0.00 H new ATOM 0 HD11 LEU A 49 -17.700 -1.109 -5.203 1.00 0.00 H new ATOM 0 HD12 LEU A 49 -16.694 -2.040 -4.068 1.00 0.00 H new ATOM 0 HD13 LEU A 49 -17.741 -0.734 -3.464 1.00 0.00 H new ATOM 0 HD21 LEU A 49 -17.083 1.223 -5.809 1.00 0.00 H new ATOM 0 HD22 LEU A 49 -17.083 1.751 -4.109 1.00 0.00 H new ATOM 0 HD23 LEU A 49 -15.630 1.978 -5.111 1.00 0.00 H new ATOM 692 N VAL A 50 -18.057 0.818 -1.850 1.00 0.00 N ATOM 693 CA VAL A 50 -19.312 0.357 -1.282 1.00 0.00 C ATOM 694 C VAL A 50 -20.381 0.324 -2.376 1.00 0.00 C ATOM 695 O VAL A 50 -20.471 1.243 -3.188 1.00 0.00 O ATOM 696 CB VAL A 50 -19.701 1.235 -0.091 1.00 0.00 C ATOM 697 CG1 VAL A 50 -18.870 2.519 -0.062 1.00 0.00 C ATOM 698 CG2 VAL A 50 -21.198 1.551 -0.109 1.00 0.00 C ATOM 0 H VAL A 50 -18.155 1.505 -2.597 1.00 0.00 H new ATOM 0 HA VAL A 50 -19.208 -0.658 -0.900 1.00 0.00 H new ATOM 0 HB VAL A 50 -19.487 0.677 0.821 1.00 0.00 H new ATOM 0 HG11 VAL A 50 -19.166 3.125 0.794 1.00 0.00 H new ATOM 0 HG12 VAL A 50 -17.813 2.266 0.021 1.00 0.00 H new ATOM 0 HG13 VAL A 50 -19.038 3.082 -0.980 1.00 0.00 H new ATOM 0 HG21 VAL A 50 -21.448 2.176 0.748 1.00 0.00 H new ATOM 0 HG22 VAL A 50 -21.447 2.080 -1.029 1.00 0.00 H new ATOM 0 HG23 VAL A 50 -21.767 0.622 -0.059 1.00 0.00 H new ATOM 708 N ASP A 51 -21.164 -0.744 -2.361 1.00 0.00 N ATOM 709 CA ASP A 51 -22.224 -0.909 -3.342 1.00 0.00 C ATOM 710 C ASP A 51 -23.531 -0.356 -2.772 1.00 0.00 C ATOM 711 O ASP A 51 -23.800 -0.494 -1.579 1.00 0.00 O ATOM 712 CB ASP A 51 -22.441 -2.386 -3.676 1.00 0.00 C ATOM 713 CG ASP A 51 -21.880 -2.833 -5.028 1.00 0.00 C ATOM 714 OD1 ASP A 51 -22.444 -2.388 -6.051 1.00 0.00 O ATOM 715 OD2 ASP A 51 -20.901 -3.609 -5.007 1.00 0.00 O ATOM 0 H ASP A 51 -21.086 -1.504 -1.685 1.00 0.00 H new ATOM 0 HA ASP A 51 -21.933 -0.374 -4.246 1.00 0.00 H new ATOM 0 HB2 ASP A 51 -21.985 -2.991 -2.892 1.00 0.00 H new ATOM 0 HB3 ASP A 51 -23.511 -2.594 -3.657 1.00 0.00 H new ATOM 720 N ILE A 52 -24.310 0.258 -3.650 1.00 0.00 N ATOM 721 CA ILE A 52 -25.583 0.833 -3.249 1.00 0.00 C ATOM 722 C ILE A 52 -26.700 -0.178 -3.515 1.00 0.00 C ATOM 723 O ILE A 52 -27.654 -0.273 -2.744 1.00 0.00 O ATOM 724 CB ILE A 52 -25.800 2.184 -3.932 1.00 0.00 C ATOM 725 CG1 ILE A 52 -27.169 2.767 -3.573 1.00 0.00 C ATOM 726 CG2 ILE A 52 -25.605 2.071 -5.445 1.00 0.00 C ATOM 727 CD1 ILE A 52 -27.028 4.167 -2.972 1.00 0.00 C ATOM 0 H ILE A 52 -24.084 0.370 -4.638 1.00 0.00 H new ATOM 0 HA ILE A 52 -25.588 1.040 -2.179 1.00 0.00 H new ATOM 0 HB ILE A 52 -25.047 2.879 -3.561 1.00 0.00 H new ATOM 0 HG12 ILE A 52 -27.795 2.811 -4.465 1.00 0.00 H new ATOM 0 HG13 ILE A 52 -27.673 2.111 -2.863 1.00 0.00 H new ATOM 0 HG21 ILE A 52 -25.765 3.046 -5.906 1.00 0.00 H new ATOM 0 HG22 ILE A 52 -24.591 1.731 -5.657 1.00 0.00 H new ATOM 0 HG23 ILE A 52 -26.320 1.355 -5.852 1.00 0.00 H new ATOM 0 HD11 ILE A 52 -28.015 4.558 -2.726 1.00 0.00 H new ATOM 0 HD12 ILE A 52 -26.422 4.115 -2.067 1.00 0.00 H new ATOM 0 HD13 ILE A 52 -26.546 4.826 -3.694 1.00 0.00 H new ATOM 739 N VAL A 53 -26.546 -0.908 -4.611 1.00 0.00 N ATOM 740 CA VAL A 53 -27.530 -1.908 -4.989 1.00 0.00 C ATOM 741 C VAL A 53 -27.327 -3.163 -4.138 1.00 0.00 C ATOM 742 O VAL A 53 -28.261 -3.638 -3.493 1.00 0.00 O ATOM 743 CB VAL A 53 -27.445 -2.183 -6.491 1.00 0.00 C ATOM 744 CG1 VAL A 53 -27.636 -0.896 -7.296 1.00 0.00 C ATOM 745 CG2 VAL A 53 -26.123 -2.864 -6.850 1.00 0.00 C ATOM 0 H VAL A 53 -25.754 -0.826 -5.249 1.00 0.00 H new ATOM 0 HA VAL A 53 -28.539 -1.544 -4.796 1.00 0.00 H new ATOM 0 HB VAL A 53 -28.254 -2.865 -6.753 1.00 0.00 H new ATOM 0 HG11 VAL A 53 -27.571 -1.120 -8.361 1.00 0.00 H new ATOM 0 HG12 VAL A 53 -28.614 -0.470 -7.074 1.00 0.00 H new ATOM 0 HG13 VAL A 53 -26.859 -0.180 -7.028 1.00 0.00 H new ATOM 0 HG21 VAL A 53 -26.088 -3.048 -7.924 1.00 0.00 H new ATOM 0 HG22 VAL A 53 -25.292 -2.218 -6.566 1.00 0.00 H new ATOM 0 HG23 VAL A 53 -26.045 -3.811 -6.317 1.00 0.00 H new ATOM 755 N LYS A 54 -26.101 -3.666 -4.165 1.00 0.00 N ATOM 756 CA LYS A 54 -25.764 -4.857 -3.405 1.00 0.00 C ATOM 757 C LYS A 54 -25.821 -4.536 -1.910 1.00 0.00 C ATOM 758 O LYS A 54 -25.872 -5.441 -1.078 1.00 0.00 O ATOM 759 CB LYS A 54 -24.418 -5.421 -3.862 1.00 0.00 C ATOM 760 CG LYS A 54 -24.555 -6.155 -5.198 1.00 0.00 C ATOM 761 CD LYS A 54 -25.070 -7.580 -4.990 1.00 0.00 C ATOM 762 CE LYS A 54 -26.598 -7.626 -5.050 1.00 0.00 C ATOM 763 NZ LYS A 54 -27.048 -8.610 -6.060 1.00 0.00 N ATOM 0 H LYS A 54 -25.329 -3.270 -4.702 1.00 0.00 H new ATOM 0 HA LYS A 54 -26.493 -5.646 -3.590 1.00 0.00 H new ATOM 0 HB2 LYS A 54 -23.695 -4.611 -3.961 1.00 0.00 H new ATOM 0 HB3 LYS A 54 -24.030 -6.104 -3.106 1.00 0.00 H new ATOM 0 HG2 LYS A 54 -25.238 -5.609 -5.849 1.00 0.00 H new ATOM 0 HG3 LYS A 54 -23.589 -6.184 -5.702 1.00 0.00 H new ATOM 0 HD2 LYS A 54 -24.653 -8.236 -5.754 1.00 0.00 H new ATOM 0 HD3 LYS A 54 -24.729 -7.956 -4.026 1.00 0.00 H new ATOM 0 HE2 LYS A 54 -26.998 -7.891 -4.072 1.00 0.00 H new ATOM 0 HE3 LYS A 54 -26.988 -6.639 -5.297 1.00 0.00 H new ATOM 0 HZ1 LYS A 54 -28.087 -8.628 -6.088 1.00 0.00 H new ATOM 0 HZ2 LYS A 54 -26.681 -8.340 -6.995 1.00 0.00 H new ATOM 0 HZ3 LYS A 54 -26.692 -9.554 -5.808 1.00 0.00 H new ATOM 777 N GLY A 55 -25.809 -3.245 -1.614 1.00 0.00 N ATOM 778 CA GLY A 55 -25.859 -2.793 -0.234 1.00 0.00 C ATOM 779 C GLY A 55 -24.690 -3.363 0.572 1.00 0.00 C ATOM 780 O GLY A 55 -24.822 -3.622 1.767 1.00 0.00 O ATOM 0 H GLY A 55 -25.765 -2.497 -2.306 1.00 0.00 H new ATOM 0 HA2 GLY A 55 -25.830 -1.704 -0.203 1.00 0.00 H new ATOM 0 HA3 GLY A 55 -26.802 -3.100 0.219 1.00 0.00 H new ATOM 784 N THR A 56 -23.571 -3.541 -0.115 1.00 0.00 N ATOM 785 CA THR A 56 -22.379 -4.075 0.522 1.00 0.00 C ATOM 786 C THR A 56 -21.264 -3.028 0.531 1.00 0.00 C ATOM 787 O THR A 56 -21.025 -2.361 -0.475 1.00 0.00 O ATOM 788 CB THR A 56 -21.994 -5.366 -0.203 1.00 0.00 C ATOM 789 OG1 THR A 56 -22.103 -5.035 -1.585 1.00 0.00 O ATOM 790 CG2 THR A 56 -23.025 -6.479 -0.005 1.00 0.00 C ATOM 0 H THR A 56 -23.465 -3.325 -1.106 1.00 0.00 H new ATOM 0 HA THR A 56 -22.564 -4.315 1.569 1.00 0.00 H new ATOM 0 HB THR A 56 -21.021 -5.705 0.153 1.00 0.00 H new ATOM 0 HG1 THR A 56 -21.869 -5.816 -2.128 1.00 0.00 H new ATOM 0 HG21 THR A 56 -22.703 -7.372 -0.540 1.00 0.00 H new ATOM 0 HG22 THR A 56 -23.116 -6.706 1.057 1.00 0.00 H new ATOM 0 HG23 THR A 56 -23.991 -6.153 -0.391 1.00 0.00 H new ATOM 798 N ASN A 57 -20.610 -2.916 1.678 1.00 0.00 N ATOM 799 CA ASN A 57 -19.526 -1.961 1.831 1.00 0.00 C ATOM 800 C ASN A 57 -18.190 -2.705 1.813 1.00 0.00 C ATOM 801 O ASN A 57 -18.109 -3.853 2.250 1.00 0.00 O ATOM 802 CB ASN A 57 -19.634 -1.214 3.163 1.00 0.00 C ATOM 803 CG ASN A 57 -20.881 -0.329 3.196 1.00 0.00 C ATOM 804 OD1 ASN A 57 -21.974 -0.739 2.842 1.00 0.00 O ATOM 805 ND2 ASN A 57 -20.658 0.904 3.640 1.00 0.00 N ATOM 0 H ASN A 57 -20.810 -3.471 2.510 1.00 0.00 H new ATOM 0 HA ASN A 57 -19.588 -1.246 1.010 1.00 0.00 H new ATOM 0 HB2 ASN A 57 -19.670 -1.930 3.984 1.00 0.00 H new ATOM 0 HB3 ASN A 57 -18.745 -0.602 3.314 1.00 0.00 H new ATOM 0 HD21 ASN A 57 -21.427 1.571 3.700 1.00 0.00 H new ATOM 0 HD22 ASN A 57 -19.718 1.183 3.921 1.00 0.00 H new ATOM 812 N SER A 58 -17.175 -2.023 1.304 1.00 0.00 N ATOM 813 CA SER A 58 -15.846 -2.605 1.223 1.00 0.00 C ATOM 814 C SER A 58 -14.786 -1.516 1.395 1.00 0.00 C ATOM 815 O SER A 58 -15.053 -0.341 1.150 1.00 0.00 O ATOM 816 CB SER A 58 -15.646 -3.337 -0.105 1.00 0.00 C ATOM 817 OG SER A 58 -16.658 -4.313 -0.335 1.00 0.00 O ATOM 0 H SER A 58 -17.246 -1.072 0.943 1.00 0.00 H new ATOM 0 HA SER A 58 -15.742 -3.333 2.027 1.00 0.00 H new ATOM 0 HB2 SER A 58 -15.647 -2.614 -0.921 1.00 0.00 H new ATOM 0 HB3 SER A 58 -14.669 -3.820 -0.109 1.00 0.00 H new ATOM 0 HG SER A 58 -16.495 -4.757 -1.193 1.00 0.00 H new ATOM 823 N TYR A 59 -13.605 -1.945 1.815 1.00 0.00 N ATOM 824 CA TYR A 59 -12.503 -1.021 2.022 1.00 0.00 C ATOM 825 C TYR A 59 -11.157 -1.716 1.808 1.00 0.00 C ATOM 826 O TYR A 59 -10.849 -2.701 2.478 1.00 0.00 O ATOM 827 CB TYR A 59 -12.603 -0.566 3.479 1.00 0.00 C ATOM 828 CG TYR A 59 -12.145 -1.618 4.492 1.00 0.00 C ATOM 829 CD1 TYR A 59 -10.807 -1.729 4.814 1.00 0.00 C ATOM 830 CD2 TYR A 59 -13.069 -2.455 5.083 1.00 0.00 C ATOM 831 CE1 TYR A 59 -10.376 -2.719 5.767 1.00 0.00 C ATOM 832 CE2 TYR A 59 -12.637 -3.445 6.036 1.00 0.00 C ATOM 833 CZ TYR A 59 -11.313 -3.528 6.331 1.00 0.00 C ATOM 834 OH TYR A 59 -10.905 -4.462 7.232 1.00 0.00 O ATOM 0 H TYR A 59 -13.387 -2.921 2.018 1.00 0.00 H new ATOM 0 HA TYR A 59 -12.562 -0.190 1.319 1.00 0.00 H new ATOM 0 HB2 TYR A 59 -12.003 0.335 3.610 1.00 0.00 H new ATOM 0 HB3 TYR A 59 -13.637 -0.295 3.694 1.00 0.00 H new ATOM 0 HD1 TYR A 59 -10.084 -1.074 4.351 1.00 0.00 H new ATOM 0 HD2 TYR A 59 -14.116 -2.368 4.831 1.00 0.00 H new ATOM 0 HE1 TYR A 59 -9.333 -2.817 6.028 1.00 0.00 H new ATOM 0 HE2 TYR A 59 -13.350 -4.107 6.506 1.00 0.00 H new ATOM 0 HH TYR A 59 -11.681 -4.967 7.554 1.00 0.00 H new ATOM 844 N TYR A 60 -10.391 -1.176 0.872 1.00 0.00 N ATOM 845 CA TYR A 60 -9.085 -1.732 0.561 1.00 0.00 C ATOM 846 C TYR A 60 -7.967 -0.787 1.007 1.00 0.00 C ATOM 847 O TYR A 60 -7.948 0.382 0.625 1.00 0.00 O ATOM 848 CB TYR A 60 -9.039 -1.875 -0.962 1.00 0.00 C ATOM 849 CG TYR A 60 -7.731 -2.466 -1.492 1.00 0.00 C ATOM 850 CD1 TYR A 60 -6.643 -1.647 -1.713 1.00 0.00 C ATOM 851 CD2 TYR A 60 -7.640 -3.819 -1.749 1.00 0.00 C ATOM 852 CE1 TYR A 60 -5.412 -2.203 -2.212 1.00 0.00 C ATOM 853 CE2 TYR A 60 -6.409 -4.376 -2.248 1.00 0.00 C ATOM 854 CZ TYR A 60 -5.356 -3.540 -2.455 1.00 0.00 C ATOM 855 OH TYR A 60 -4.193 -4.066 -2.926 1.00 0.00 O ATOM 0 H TYR A 60 -10.650 -0.359 0.319 1.00 0.00 H new ATOM 0 HA TYR A 60 -8.940 -2.683 1.074 1.00 0.00 H new ATOM 0 HB2 TYR A 60 -9.867 -2.507 -1.283 1.00 0.00 H new ATOM 0 HB3 TYR A 60 -9.192 -0.895 -1.414 1.00 0.00 H new ATOM 0 HD1 TYR A 60 -6.715 -0.588 -1.512 1.00 0.00 H new ATOM 0 HD2 TYR A 60 -8.492 -4.460 -1.576 1.00 0.00 H new ATOM 0 HE1 TYR A 60 -4.553 -1.573 -2.389 1.00 0.00 H new ATOM 0 HE2 TYR A 60 -6.324 -5.433 -2.453 1.00 0.00 H new ATOM 0 HH TYR A 60 -4.298 -5.032 -3.052 1.00 0.00 H new ATOM 865 N LYS A 61 -7.062 -1.329 1.808 1.00 0.00 N ATOM 866 CA LYS A 61 -5.943 -0.550 2.310 1.00 0.00 C ATOM 867 C LYS A 61 -4.652 -1.032 1.646 1.00 0.00 C ATOM 868 O LYS A 61 -4.487 -2.225 1.395 1.00 0.00 O ATOM 869 CB LYS A 61 -5.902 -0.594 3.839 1.00 0.00 C ATOM 870 CG LYS A 61 -6.118 0.799 4.434 1.00 0.00 C ATOM 871 CD LYS A 61 -4.787 1.533 4.610 1.00 0.00 C ATOM 872 CE LYS A 61 -4.593 1.976 6.061 1.00 0.00 C ATOM 873 NZ LYS A 61 -4.669 0.812 6.973 1.00 0.00 N ATOM 0 H LYS A 61 -7.081 -2.299 2.122 1.00 0.00 H new ATOM 0 HA LYS A 61 -6.063 0.501 2.048 1.00 0.00 H new ATOM 0 HB2 LYS A 61 -6.670 -1.274 4.207 1.00 0.00 H new ATOM 0 HB3 LYS A 61 -4.941 -0.989 4.169 1.00 0.00 H new ATOM 0 HG2 LYS A 61 -6.774 1.378 3.784 1.00 0.00 H new ATOM 0 HG3 LYS A 61 -6.620 0.713 5.398 1.00 0.00 H new ATOM 0 HD2 LYS A 61 -3.966 0.881 4.312 1.00 0.00 H new ATOM 0 HD3 LYS A 61 -4.758 2.403 3.953 1.00 0.00 H new ATOM 0 HE2 LYS A 61 -3.627 2.469 6.171 1.00 0.00 H new ATOM 0 HE3 LYS A 61 -5.356 2.706 6.330 1.00 0.00 H new ATOM 0 HZ1 LYS A 61 -5.055 1.114 7.890 1.00 0.00 H new ATOM 0 HZ2 LYS A 61 -5.288 0.086 6.559 1.00 0.00 H new ATOM 0 HZ3 LYS A 61 -3.717 0.417 7.112 1.00 0.00 H new ATOM 887 N LEU A 62 -3.769 -0.081 1.381 1.00 0.00 N ATOM 888 CA LEU A 62 -2.498 -0.394 0.751 1.00 0.00 C ATOM 889 C LEU A 62 -1.377 0.358 1.472 1.00 0.00 C ATOM 890 O LEU A 62 -1.468 1.568 1.676 1.00 0.00 O ATOM 891 CB LEU A 62 -2.560 -0.112 -0.751 1.00 0.00 C ATOM 892 CG LEU A 62 -1.495 -0.798 -1.608 1.00 0.00 C ATOM 893 CD1 LEU A 62 -1.852 -2.265 -1.856 1.00 0.00 C ATOM 894 CD2 LEU A 62 -1.265 -0.035 -2.914 1.00 0.00 C ATOM 0 H LEU A 62 -3.909 0.907 1.591 1.00 0.00 H new ATOM 0 HA LEU A 62 -2.280 -1.458 0.843 1.00 0.00 H new ATOM 0 HB2 LEU A 62 -3.542 -0.414 -1.117 1.00 0.00 H new ATOM 0 HB3 LEU A 62 -2.481 0.965 -0.902 1.00 0.00 H new ATOM 0 HG LEU A 62 -0.554 -0.784 -1.058 1.00 0.00 H new ATOM 0 HD11 LEU A 62 -1.079 -2.729 -2.468 1.00 0.00 H new ATOM 0 HD12 LEU A 62 -1.923 -2.788 -0.903 1.00 0.00 H new ATOM 0 HD13 LEU A 62 -2.809 -2.324 -2.375 1.00 0.00 H new ATOM 0 HD21 LEU A 62 -0.503 -0.545 -3.504 1.00 0.00 H new ATOM 0 HD22 LEU A 62 -2.195 0.006 -3.480 1.00 0.00 H new ATOM 0 HD23 LEU A 62 -0.932 0.978 -2.690 1.00 0.00 H new ATOM 906 N GLN A 63 -0.346 -0.389 1.838 1.00 0.00 N ATOM 907 CA GLN A 63 0.790 0.192 2.532 1.00 0.00 C ATOM 908 C GLN A 63 2.056 -0.622 2.252 1.00 0.00 C ATOM 909 O GLN A 63 2.074 -1.836 2.449 1.00 0.00 O ATOM 910 CB GLN A 63 0.524 0.290 4.035 1.00 0.00 C ATOM 911 CG GLN A 63 -0.835 0.938 4.310 1.00 0.00 C ATOM 912 CD GLN A 63 -1.050 1.146 5.810 1.00 0.00 C ATOM 913 OE1 GLN A 63 -2.049 0.742 6.382 1.00 0.00 O ATOM 914 NE2 GLN A 63 -0.060 1.797 6.414 1.00 0.00 N ATOM 0 H GLN A 63 -0.274 -1.392 1.667 1.00 0.00 H new ATOM 0 HA GLN A 63 0.941 1.204 2.156 1.00 0.00 H new ATOM 0 HB2 GLN A 63 0.553 -0.705 4.479 1.00 0.00 H new ATOM 0 HB3 GLN A 63 1.312 0.874 4.510 1.00 0.00 H new ATOM 0 HG2 GLN A 63 -0.896 1.896 3.794 1.00 0.00 H new ATOM 0 HG3 GLN A 63 -1.630 0.309 3.909 1.00 0.00 H new ATOM 0 HE21 GLN A 63 0.749 2.108 5.876 1.00 0.00 H new ATOM 0 HE22 GLN A 63 -0.110 1.985 7.415 1.00 0.00 H new ATOM 923 N LEU A 64 3.083 0.080 1.796 1.00 0.00 N ATOM 924 CA LEU A 64 4.349 -0.562 1.486 1.00 0.00 C ATOM 925 C LEU A 64 5.333 -0.319 2.633 1.00 0.00 C ATOM 926 O LEU A 64 5.519 0.817 3.066 1.00 0.00 O ATOM 927 CB LEU A 64 4.867 -0.096 0.124 1.00 0.00 C ATOM 928 CG LEU A 64 5.741 -1.094 -0.638 1.00 0.00 C ATOM 929 CD1 LEU A 64 5.892 -0.683 -2.104 1.00 0.00 C ATOM 930 CD2 LEU A 64 7.096 -1.273 0.050 1.00 0.00 C ATOM 0 H LEU A 64 3.064 1.087 1.634 1.00 0.00 H new ATOM 0 HA LEU A 64 4.218 -1.641 1.400 1.00 0.00 H new ATOM 0 HB2 LEU A 64 4.011 0.158 -0.501 1.00 0.00 H new ATOM 0 HB3 LEU A 64 5.439 0.821 0.269 1.00 0.00 H new ATOM 0 HG LEU A 64 5.243 -2.064 -0.625 1.00 0.00 H new ATOM 0 HD11 LEU A 64 6.518 -1.409 -2.623 1.00 0.00 H new ATOM 0 HD12 LEU A 64 4.910 -0.648 -2.575 1.00 0.00 H new ATOM 0 HD13 LEU A 64 6.356 0.302 -2.160 1.00 0.00 H new ATOM 0 HD21 LEU A 64 7.698 -1.987 -0.512 1.00 0.00 H new ATOM 0 HD22 LEU A 64 7.613 -0.314 0.089 1.00 0.00 H new ATOM 0 HD23 LEU A 64 6.943 -1.645 1.063 1.00 0.00 H new ATOM 942 N LEU A 65 5.936 -1.406 3.092 1.00 0.00 N ATOM 943 CA LEU A 65 6.896 -1.325 4.180 1.00 0.00 C ATOM 944 C LEU A 65 8.273 -1.757 3.673 1.00 0.00 C ATOM 945 O LEU A 65 8.387 -2.729 2.927 1.00 0.00 O ATOM 946 CB LEU A 65 6.406 -2.128 5.387 1.00 0.00 C ATOM 947 CG LEU A 65 4.898 -2.376 5.460 1.00 0.00 C ATOM 948 CD1 LEU A 65 4.117 -1.154 4.974 1.00 0.00 C ATOM 949 CD2 LEU A 65 4.513 -3.644 4.694 1.00 0.00 C ATOM 0 H LEU A 65 5.779 -2.347 2.731 1.00 0.00 H new ATOM 0 HA LEU A 65 6.992 -0.296 4.527 1.00 0.00 H new ATOM 0 HB2 LEU A 65 6.913 -3.093 5.387 1.00 0.00 H new ATOM 0 HB3 LEU A 65 6.713 -1.607 6.294 1.00 0.00 H new ATOM 0 HG LEU A 65 4.629 -2.536 6.504 1.00 0.00 H new ATOM 0 HD11 LEU A 65 3.048 -1.357 5.036 1.00 0.00 H new ATOM 0 HD12 LEU A 65 4.360 -0.295 5.599 1.00 0.00 H new ATOM 0 HD13 LEU A 65 4.386 -0.938 3.940 1.00 0.00 H new ATOM 0 HD21 LEU A 65 3.436 -3.797 4.762 1.00 0.00 H new ATOM 0 HD22 LEU A 65 4.799 -3.538 3.648 1.00 0.00 H new ATOM 0 HD23 LEU A 65 5.029 -4.501 5.126 1.00 0.00 H new ATOM 961 N GLU A 66 9.284 -1.013 4.097 1.00 0.00 N ATOM 962 CA GLU A 66 10.649 -1.307 3.695 1.00 0.00 C ATOM 963 C GLU A 66 11.518 -1.582 4.924 1.00 0.00 C ATOM 964 O GLU A 66 11.188 -1.153 6.029 1.00 0.00 O ATOM 965 CB GLU A 66 11.231 -0.167 2.856 1.00 0.00 C ATOM 966 CG GLU A 66 11.590 1.033 3.735 1.00 0.00 C ATOM 967 CD GLU A 66 12.403 2.064 2.950 1.00 0.00 C ATOM 968 OE1 GLU A 66 13.298 1.626 2.196 1.00 0.00 O ATOM 969 OE2 GLU A 66 12.111 3.267 3.122 1.00 0.00 O ATOM 0 H GLU A 66 9.185 -0.207 4.715 1.00 0.00 H new ATOM 0 HA GLU A 66 10.639 -2.203 3.074 1.00 0.00 H new ATOM 0 HB2 GLU A 66 12.120 -0.515 2.329 1.00 0.00 H new ATOM 0 HB3 GLU A 66 10.509 0.136 2.098 1.00 0.00 H new ATOM 0 HG2 GLU A 66 10.679 1.496 4.115 1.00 0.00 H new ATOM 0 HG3 GLU A 66 12.161 0.697 4.600 1.00 0.00 H new ATOM 976 N ASP A 67 12.610 -2.295 4.691 1.00 0.00 N ATOM 977 CA ASP A 67 13.527 -2.632 5.766 1.00 0.00 C ATOM 978 C ASP A 67 14.051 -1.345 6.405 1.00 0.00 C ATOM 979 O ASP A 67 14.400 -0.396 5.704 1.00 0.00 O ATOM 980 CB ASP A 67 14.728 -3.420 5.238 1.00 0.00 C ATOM 981 CG ASP A 67 15.847 -3.652 6.255 1.00 0.00 C ATOM 982 OD1 ASP A 67 15.513 -3.732 7.457 1.00 0.00 O ATOM 983 OD2 ASP A 67 17.010 -3.744 5.808 1.00 0.00 O ATOM 0 H ASP A 67 12.880 -2.649 3.773 1.00 0.00 H new ATOM 0 HA ASP A 67 12.987 -3.240 6.492 1.00 0.00 H new ATOM 0 HB2 ASP A 67 14.379 -4.388 4.878 1.00 0.00 H new ATOM 0 HB3 ASP A 67 15.142 -2.891 4.380 1.00 0.00 H new ATOM 988 N ASP A 68 14.090 -1.353 7.730 1.00 0.00 N ATOM 989 CA ASP A 68 14.565 -0.198 8.472 1.00 0.00 C ATOM 990 C ASP A 68 15.763 0.414 7.742 1.00 0.00 C ATOM 991 O ASP A 68 15.991 1.621 7.820 1.00 0.00 O ATOM 992 CB ASP A 68 15.021 -0.595 9.877 1.00 0.00 C ATOM 993 CG ASP A 68 13.989 -0.359 10.982 1.00 0.00 C ATOM 994 OD1 ASP A 68 13.333 0.703 10.928 1.00 0.00 O ATOM 995 OD2 ASP A 68 13.880 -1.247 11.856 1.00 0.00 O ATOM 0 H ASP A 68 13.800 -2.142 8.308 1.00 0.00 H new ATOM 0 HA ASP A 68 13.744 0.515 8.547 1.00 0.00 H new ATOM 0 HB2 ASP A 68 15.289 -1.651 9.871 1.00 0.00 H new ATOM 0 HB3 ASP A 68 15.926 -0.038 10.120 1.00 0.00 H new ATOM 1051 N ARG A 72 15.035 -4.818 1.853 1.00 0.00 N ATOM 1052 CA ARG A 72 13.883 -5.676 2.068 1.00 0.00 C ATOM 1053 C ARG A 72 12.600 -4.843 2.106 1.00 0.00 C ATOM 1054 O ARG A 72 12.573 -3.766 2.699 1.00 0.00 O ATOM 1055 CB ARG A 72 14.015 -6.457 3.377 1.00 0.00 C ATOM 1056 CG ARG A 72 14.057 -7.964 3.115 1.00 0.00 C ATOM 1057 CD ARG A 72 14.193 -8.744 4.424 1.00 0.00 C ATOM 1058 NE ARG A 72 15.598 -9.166 4.618 1.00 0.00 N ATOM 1059 CZ ARG A 72 16.255 -9.991 3.792 1.00 0.00 C ATOM 1060 NH1 ARG A 72 15.639 -10.487 2.710 1.00 0.00 N ATOM 1061 NH2 ARG A 72 17.529 -10.320 4.047 1.00 0.00 N ATOM 0 HA ARG A 72 13.837 -6.383 1.239 1.00 0.00 H new ATOM 0 HB2 ARG A 72 14.922 -6.150 3.898 1.00 0.00 H new ATOM 0 HB3 ARG A 72 13.176 -6.221 4.031 1.00 0.00 H new ATOM 0 HG2 ARG A 72 13.149 -8.272 2.596 1.00 0.00 H new ATOM 0 HG3 ARG A 72 14.895 -8.199 2.458 1.00 0.00 H new ATOM 0 HD2 ARG A 72 13.872 -8.124 5.261 1.00 0.00 H new ATOM 0 HD3 ARG A 72 13.541 -9.618 4.406 1.00 0.00 H new ATOM 0 HE ARG A 72 16.097 -8.806 5.431 1.00 0.00 H new ATOM 0 HH11 ARG A 72 14.670 -10.236 2.515 1.00 0.00 H new ATOM 0 HH12 ARG A 72 16.140 -11.115 2.081 1.00 0.00 H new ATOM 0 HH21 ARG A 72 17.998 -9.942 4.870 1.00 0.00 H new ATOM 0 HH22 ARG A 72 18.029 -10.948 3.418 1.00 0.00 H new ATOM 1075 N TYR A 73 11.569 -5.374 1.466 1.00 0.00 N ATOM 1076 CA TYR A 73 10.286 -4.692 1.419 1.00 0.00 C ATOM 1077 C TYR A 73 9.131 -5.696 1.437 1.00 0.00 C ATOM 1078 O TYR A 73 9.317 -6.867 1.112 1.00 0.00 O ATOM 1079 CB TYR A 73 10.262 -3.929 0.093 1.00 0.00 C ATOM 1080 CG TYR A 73 11.226 -2.742 0.041 1.00 0.00 C ATOM 1081 CD1 TYR A 73 12.585 -2.961 -0.051 1.00 0.00 C ATOM 1082 CD2 TYR A 73 10.735 -1.453 0.086 1.00 0.00 C ATOM 1083 CE1 TYR A 73 13.492 -1.843 -0.101 1.00 0.00 C ATOM 1084 CE2 TYR A 73 11.642 -0.336 0.036 1.00 0.00 C ATOM 1085 CZ TYR A 73 12.976 -0.586 -0.054 1.00 0.00 C ATOM 1086 OH TYR A 73 13.833 0.469 -0.101 1.00 0.00 O ATOM 0 H TYR A 73 11.595 -6.268 0.976 1.00 0.00 H new ATOM 0 HA TYR A 73 10.168 -4.035 2.281 1.00 0.00 H new ATOM 0 HB2 TYR A 73 10.506 -4.618 -0.715 1.00 0.00 H new ATOM 0 HB3 TYR A 73 9.249 -3.570 -0.090 1.00 0.00 H new ATOM 0 HD1 TYR A 73 12.969 -3.970 -0.086 1.00 0.00 H new ATOM 0 HD2 TYR A 73 9.671 -1.282 0.159 1.00 0.00 H new ATOM 0 HE1 TYR A 73 14.558 -2.000 -0.174 1.00 0.00 H new ATOM 0 HE2 TYR A 73 11.271 0.678 0.069 1.00 0.00 H new ATOM 0 HH TYR A 73 13.525 1.168 0.513 1.00 0.00 H new ATOM 1096 N TRP A 74 7.964 -5.200 1.821 1.00 0.00 N ATOM 1097 CA TRP A 74 6.779 -6.038 1.886 1.00 0.00 C ATOM 1098 C TRP A 74 5.636 -5.297 1.190 1.00 0.00 C ATOM 1099 O TRP A 74 5.727 -4.093 0.952 1.00 0.00 O ATOM 1100 CB TRP A 74 6.454 -6.416 3.333 1.00 0.00 C ATOM 1101 CG TRP A 74 7.333 -7.533 3.897 1.00 0.00 C ATOM 1102 CD1 TRP A 74 7.144 -8.857 3.808 1.00 0.00 C ATOM 1103 CD2 TRP A 74 8.556 -7.370 4.646 1.00 0.00 C ATOM 1104 NE1 TRP A 74 8.151 -9.556 4.443 1.00 0.00 N ATOM 1105 CE2 TRP A 74 9.037 -8.622 4.968 1.00 0.00 C ATOM 1106 CE3 TRP A 74 9.233 -6.202 5.039 1.00 0.00 C ATOM 1107 CZ2 TRP A 74 10.215 -8.827 5.697 1.00 0.00 C ATOM 1108 CZ3 TRP A 74 10.408 -6.423 5.767 1.00 0.00 C ATOM 1109 CH2 TRP A 74 10.906 -7.678 6.099 1.00 0.00 C ATOM 0 H TRP A 74 7.814 -4.228 2.090 1.00 0.00 H new ATOM 0 HA TRP A 74 6.946 -6.983 1.369 1.00 0.00 H new ATOM 0 HB2 TRP A 74 6.561 -5.532 3.961 1.00 0.00 H new ATOM 0 HB3 TRP A 74 5.410 -6.725 3.391 1.00 0.00 H new ATOM 0 HD1 TRP A 74 6.309 -9.319 3.303 1.00 0.00 H new ATOM 0 HE1 TRP A 74 8.230 -10.570 4.514 1.00 0.00 H new ATOM 0 HE3 TRP A 74 8.875 -5.212 4.798 1.00 0.00 H new ATOM 0 HZ2 TRP A 74 10.571 -9.818 5.936 1.00 0.00 H new ATOM 0 HZ3 TRP A 74 10.967 -5.558 6.094 1.00 0.00 H new ATOM 0 HH2 TRP A 74 11.822 -7.766 6.665 1.00 0.00 H new ATOM 1120 N ILE A 75 4.587 -6.046 0.884 1.00 0.00 N ATOM 1121 CA ILE A 75 3.428 -5.474 0.220 1.00 0.00 C ATOM 1122 C ILE A 75 2.160 -5.900 0.961 1.00 0.00 C ATOM 1123 O ILE A 75 1.672 -7.014 0.775 1.00 0.00 O ATOM 1124 CB ILE A 75 3.426 -5.843 -1.265 1.00 0.00 C ATOM 1125 CG1 ILE A 75 4.474 -5.034 -2.033 1.00 0.00 C ATOM 1126 CG2 ILE A 75 2.027 -5.686 -1.867 1.00 0.00 C ATOM 1127 CD1 ILE A 75 3.955 -3.631 -2.356 1.00 0.00 C ATOM 0 H ILE A 75 4.515 -7.044 1.084 1.00 0.00 H new ATOM 0 HA ILE A 75 3.467 -4.385 0.254 1.00 0.00 H new ATOM 0 HB ILE A 75 3.700 -6.894 -1.356 1.00 0.00 H new ATOM 0 HG12 ILE A 75 5.387 -4.961 -1.442 1.00 0.00 H new ATOM 0 HG13 ILE A 75 4.733 -5.551 -2.957 1.00 0.00 H new ATOM 0 HG21 ILE A 75 2.053 -5.954 -2.923 1.00 0.00 H new ATOM 0 HG22 ILE A 75 1.330 -6.340 -1.343 1.00 0.00 H new ATOM 0 HG23 ILE A 75 1.700 -4.651 -1.764 1.00 0.00 H new ATOM 0 HD11 ILE A 75 4.719 -3.077 -2.902 1.00 0.00 H new ATOM 0 HD12 ILE A 75 3.056 -3.707 -2.967 1.00 0.00 H new ATOM 0 HD13 ILE A 75 3.720 -3.108 -1.429 1.00 0.00 H new ATOM 1139 N PHE A 76 1.661 -4.992 1.787 1.00 0.00 N ATOM 1140 CA PHE A 76 0.459 -5.259 2.557 1.00 0.00 C ATOM 1141 C PHE A 76 -0.788 -4.780 1.811 1.00 0.00 C ATOM 1142 O PHE A 76 -0.802 -3.681 1.259 1.00 0.00 O ATOM 1143 CB PHE A 76 0.585 -4.481 3.868 1.00 0.00 C ATOM 1144 CG PHE A 76 -0.629 -4.614 4.790 1.00 0.00 C ATOM 1145 CD1 PHE A 76 -0.816 -5.754 5.507 1.00 0.00 C ATOM 1146 CD2 PHE A 76 -1.520 -3.591 4.893 1.00 0.00 C ATOM 1147 CE1 PHE A 76 -1.943 -5.878 6.363 1.00 0.00 C ATOM 1148 CE2 PHE A 76 -2.646 -3.715 5.749 1.00 0.00 C ATOM 1149 CZ PHE A 76 -2.834 -4.855 6.465 1.00 0.00 C ATOM 0 H PHE A 76 2.068 -4.069 1.940 1.00 0.00 H new ATOM 0 HA PHE A 76 0.358 -6.331 2.728 1.00 0.00 H new ATOM 0 HB2 PHE A 76 1.472 -4.826 4.400 1.00 0.00 H new ATOM 0 HB3 PHE A 76 0.741 -3.427 3.639 1.00 0.00 H new ATOM 0 HD1 PHE A 76 -0.108 -6.565 5.426 1.00 0.00 H new ATOM 0 HD2 PHE A 76 -1.371 -2.685 4.324 1.00 0.00 H new ATOM 0 HE1 PHE A 76 -2.092 -6.784 6.932 1.00 0.00 H new ATOM 0 HE2 PHE A 76 -3.353 -2.903 5.831 1.00 0.00 H new ATOM 0 HZ PHE A 76 -3.691 -4.949 7.115 1.00 0.00 H new ATOM 1159 N ARG A 77 -1.806 -5.629 1.819 1.00 0.00 N ATOM 1160 CA ARG A 77 -3.054 -5.306 1.150 1.00 0.00 C ATOM 1161 C ARG A 77 -4.242 -5.828 1.962 1.00 0.00 C ATOM 1162 O ARG A 77 -4.404 -7.037 2.124 1.00 0.00 O ATOM 1163 CB ARG A 77 -3.100 -5.912 -0.254 1.00 0.00 C ATOM 1164 CG ARG A 77 -1.809 -6.673 -0.565 1.00 0.00 C ATOM 1165 CD ARG A 77 -1.859 -7.288 -1.965 1.00 0.00 C ATOM 1166 NE ARG A 77 -2.728 -8.486 -1.961 1.00 0.00 N ATOM 1167 CZ ARG A 77 -2.868 -9.316 -3.003 1.00 0.00 C ATOM 1168 NH1 ARG A 77 -2.197 -9.084 -4.140 1.00 0.00 N ATOM 1169 NH2 ARG A 77 -3.679 -10.379 -2.910 1.00 0.00 N ATOM 0 H ARG A 77 -1.791 -6.540 2.278 1.00 0.00 H new ATOM 0 HA ARG A 77 -3.114 -4.221 1.067 1.00 0.00 H new ATOM 0 HB2 ARG A 77 -3.953 -6.586 -0.335 1.00 0.00 H new ATOM 0 HB3 ARG A 77 -3.247 -5.122 -0.990 1.00 0.00 H new ATOM 0 HG2 ARG A 77 -0.957 -5.997 -0.491 1.00 0.00 H new ATOM 0 HG3 ARG A 77 -1.658 -7.458 0.176 1.00 0.00 H new ATOM 0 HD2 ARG A 77 -2.237 -6.557 -2.679 1.00 0.00 H new ATOM 0 HD3 ARG A 77 -0.854 -7.559 -2.288 1.00 0.00 H new ATOM 0 HE ARG A 77 -3.253 -8.693 -1.111 1.00 0.00 H new ATOM 0 HH11 ARG A 77 -1.580 -8.275 -4.212 1.00 0.00 H new ATOM 0 HH12 ARG A 77 -2.304 -9.716 -4.933 1.00 0.00 H new ATOM 0 HH21 ARG A 77 -4.190 -10.556 -2.045 1.00 0.00 H new ATOM 0 HH22 ARG A 77 -3.785 -11.011 -3.704 1.00 0.00 H new ATOM 1183 N SER A 78 -5.041 -4.892 2.450 1.00 0.00 N ATOM 1184 CA SER A 78 -6.209 -5.242 3.241 1.00 0.00 C ATOM 1185 C SER A 78 -7.479 -5.060 2.408 1.00 0.00 C ATOM 1186 O SER A 78 -7.498 -4.273 1.463 1.00 0.00 O ATOM 1187 CB SER A 78 -6.284 -4.399 4.515 1.00 0.00 C ATOM 1188 OG SER A 78 -7.272 -3.376 4.420 1.00 0.00 O ATOM 0 H SER A 78 -4.903 -3.891 2.313 1.00 0.00 H new ATOM 0 HA SER A 78 -6.122 -6.288 3.535 1.00 0.00 H new ATOM 0 HB2 SER A 78 -6.510 -5.044 5.364 1.00 0.00 H new ATOM 0 HB3 SER A 78 -5.311 -3.947 4.709 1.00 0.00 H new ATOM 0 HG SER A 78 -7.335 -2.902 5.275 1.00 0.00 H new ATOM 1194 N TRP A 79 -8.509 -5.802 2.788 1.00 0.00 N ATOM 1195 CA TRP A 79 -9.780 -5.733 2.088 1.00 0.00 C ATOM 1196 C TRP A 79 -10.817 -6.496 2.914 1.00 0.00 C ATOM 1197 O TRP A 79 -10.613 -7.661 3.250 1.00 0.00 O ATOM 1198 CB TRP A 79 -9.648 -6.261 0.658 1.00 0.00 C ATOM 1199 CG TRP A 79 -9.449 -7.776 0.571 1.00 0.00 C ATOM 1200 CD1 TRP A 79 -10.380 -8.736 0.653 1.00 0.00 C ATOM 1201 CD2 TRP A 79 -8.198 -8.469 0.379 1.00 0.00 C ATOM 1202 NE1 TRP A 79 -9.822 -9.993 0.529 1.00 0.00 N ATOM 1203 CE2 TRP A 79 -8.453 -9.825 0.357 1.00 0.00 C ATOM 1204 CE3 TRP A 79 -6.893 -7.967 0.229 1.00 0.00 C ATOM 1205 CZ2 TRP A 79 -7.454 -10.791 0.187 1.00 0.00 C ATOM 1206 CZ3 TRP A 79 -5.906 -8.945 0.060 1.00 0.00 C ATOM 1207 CH2 TRP A 79 -6.147 -10.314 0.035 1.00 0.00 C ATOM 0 H TRP A 79 -8.489 -6.454 3.572 1.00 0.00 H new ATOM 0 HA TRP A 79 -10.109 -4.699 1.987 1.00 0.00 H new ATOM 0 HB2 TRP A 79 -10.542 -5.989 0.097 1.00 0.00 H new ATOM 0 HB3 TRP A 79 -8.806 -5.766 0.175 1.00 0.00 H new ATOM 0 HD1 TRP A 79 -11.434 -8.550 0.798 1.00 0.00 H new ATOM 0 HE1 TRP A 79 -10.322 -10.881 0.558 1.00 0.00 H new ATOM 0 HE3 TRP A 79 -6.670 -6.910 0.243 1.00 0.00 H new ATOM 0 HZ2 TRP A 79 -7.680 -11.847 0.174 1.00 0.00 H new ATOM 0 HZ3 TRP A 79 -4.885 -8.613 -0.059 1.00 0.00 H new ATOM 0 HH2 TRP A 79 -5.329 -11.006 -0.101 1.00 0.00 H new ATOM 1218 N GLY A 80 -11.908 -5.807 3.218 1.00 0.00 N ATOM 1219 CA GLY A 80 -12.978 -6.406 3.998 1.00 0.00 C ATOM 1220 C GLY A 80 -14.196 -5.482 4.058 1.00 0.00 C ATOM 1221 O GLY A 80 -14.112 -4.314 3.682 1.00 0.00 O ATOM 0 H GLY A 80 -12.074 -4.840 2.938 1.00 0.00 H new ATOM 0 HA2 GLY A 80 -13.263 -7.361 3.557 1.00 0.00 H new ATOM 0 HA3 GLY A 80 -12.624 -6.614 5.008 1.00 0.00 H new ATOM 1225 N ARG A 81 -15.299 -6.040 4.533 1.00 0.00 N ATOM 1226 CA ARG A 81 -16.533 -5.281 4.647 1.00 0.00 C ATOM 1227 C ARG A 81 -16.415 -4.240 5.763 1.00 0.00 C ATOM 1228 O ARG A 81 -15.606 -4.394 6.677 1.00 0.00 O ATOM 1229 CB ARG A 81 -17.720 -6.200 4.940 1.00 0.00 C ATOM 1230 CG ARG A 81 -18.645 -6.305 3.726 1.00 0.00 C ATOM 1231 CD ARG A 81 -19.439 -7.612 3.753 1.00 0.00 C ATOM 1232 NE ARG A 81 -19.320 -8.303 2.449 1.00 0.00 N ATOM 1233 CZ ARG A 81 -18.179 -8.820 1.975 1.00 0.00 C ATOM 1234 NH1 ARG A 81 -17.051 -8.728 2.693 1.00 0.00 N ATOM 1235 NH2 ARG A 81 -18.164 -9.430 0.781 1.00 0.00 N ATOM 0 H ARG A 81 -15.364 -7.009 4.844 1.00 0.00 H new ATOM 0 HA ARG A 81 -16.703 -4.780 3.694 1.00 0.00 H new ATOM 0 HB2 ARG A 81 -17.358 -7.191 5.213 1.00 0.00 H new ATOM 0 HB3 ARG A 81 -18.278 -5.818 5.795 1.00 0.00 H new ATOM 0 HG2 ARG A 81 -19.332 -5.459 3.713 1.00 0.00 H new ATOM 0 HG3 ARG A 81 -18.056 -6.252 2.810 1.00 0.00 H new ATOM 0 HD2 ARG A 81 -19.068 -8.256 4.550 1.00 0.00 H new ATOM 0 HD3 ARG A 81 -20.487 -7.406 3.971 1.00 0.00 H new ATOM 0 HE ARG A 81 -20.159 -8.391 1.876 1.00 0.00 H new ATOM 0 HH11 ARG A 81 -17.061 -8.264 3.601 1.00 0.00 H new ATOM 0 HH12 ARG A 81 -16.183 -9.122 2.331 1.00 0.00 H new ATOM 0 HH21 ARG A 81 -19.022 -9.500 0.233 1.00 0.00 H new ATOM 0 HH22 ARG A 81 -17.295 -9.824 0.420 1.00 0.00 H new ATOM 1328 N SER A 88 -9.795 -9.391 5.791 1.00 0.00 N ATOM 1329 CA SER A 88 -8.915 -10.162 4.929 1.00 0.00 C ATOM 1330 C SER A 88 -7.711 -9.314 4.517 1.00 0.00 C ATOM 1331 O SER A 88 -7.869 -8.272 3.882 1.00 0.00 O ATOM 1332 CB SER A 88 -9.659 -10.665 3.691 1.00 0.00 C ATOM 1333 OG SER A 88 -10.921 -11.238 4.022 1.00 0.00 O ATOM 0 HA SER A 88 -8.565 -11.031 5.487 1.00 0.00 H new ATOM 0 HB2 SER A 88 -9.807 -9.838 2.997 1.00 0.00 H new ATOM 0 HB3 SER A 88 -9.048 -11.407 3.177 1.00 0.00 H new ATOM 0 HG SER A 88 -11.296 -10.776 4.801 1.00 0.00 H new ATOM 1339 N ASN A 89 -6.534 -9.791 4.894 1.00 0.00 N ATOM 1340 CA ASN A 89 -5.303 -9.090 4.571 1.00 0.00 C ATOM 1341 C ASN A 89 -4.327 -10.061 3.905 1.00 0.00 C ATOM 1342 O ASN A 89 -4.467 -11.276 4.038 1.00 0.00 O ATOM 1343 CB ASN A 89 -4.635 -8.539 5.833 1.00 0.00 C ATOM 1344 CG ASN A 89 -4.689 -9.560 6.971 1.00 0.00 C ATOM 1345 OD1 ASN A 89 -5.745 -9.961 7.432 1.00 0.00 O ATOM 1346 ND2 ASN A 89 -3.493 -9.957 7.398 1.00 0.00 N ATOM 0 H ASN A 89 -6.407 -10.655 5.421 1.00 0.00 H new ATOM 0 HA ASN A 89 -5.551 -8.264 3.904 1.00 0.00 H new ATOM 0 HB2 ASN A 89 -3.598 -8.283 5.618 1.00 0.00 H new ATOM 0 HB3 ASN A 89 -5.133 -7.619 6.141 1.00 0.00 H new ATOM 0 HD21 ASN A 89 -3.422 -10.637 8.155 1.00 0.00 H new ATOM 0 HD22 ASN A 89 -2.648 -9.582 6.968 1.00 0.00 H new ATOM 1353 N LYS A 90 -3.359 -9.490 3.203 1.00 0.00 N ATOM 1354 CA LYS A 90 -2.360 -10.290 2.516 1.00 0.00 C ATOM 1355 C LYS A 90 -0.994 -9.611 2.642 1.00 0.00 C ATOM 1356 O LYS A 90 -0.893 -8.389 2.545 1.00 0.00 O ATOM 1357 CB LYS A 90 -2.785 -10.552 1.070 1.00 0.00 C ATOM 1358 CG LYS A 90 -1.682 -11.279 0.297 1.00 0.00 C ATOM 1359 CD LYS A 90 -2.098 -12.714 -0.033 1.00 0.00 C ATOM 1360 CE LYS A 90 -2.018 -13.607 1.207 1.00 0.00 C ATOM 1361 NZ LYS A 90 -1.862 -15.025 0.815 1.00 0.00 N ATOM 0 H LYS A 90 -3.246 -8.482 3.095 1.00 0.00 H new ATOM 0 HA LYS A 90 -2.273 -11.272 2.981 1.00 0.00 H new ATOM 0 HB2 LYS A 90 -3.697 -11.149 1.058 1.00 0.00 H new ATOM 0 HB3 LYS A 90 -3.016 -9.607 0.578 1.00 0.00 H new ATOM 0 HG2 LYS A 90 -1.462 -10.739 -0.624 1.00 0.00 H new ATOM 0 HG3 LYS A 90 -0.765 -11.289 0.887 1.00 0.00 H new ATOM 0 HD2 LYS A 90 -3.115 -12.721 -0.425 1.00 0.00 H new ATOM 0 HD3 LYS A 90 -1.452 -13.113 -0.815 1.00 0.00 H new ATOM 0 HE2 LYS A 90 -1.177 -13.301 1.829 1.00 0.00 H new ATOM 0 HE3 LYS A 90 -2.919 -13.487 1.808 1.00 0.00 H new ATOM 0 HZ1 LYS A 90 -1.809 -15.617 1.668 1.00 0.00 H new ATOM 0 HZ2 LYS A 90 -2.678 -15.318 0.240 1.00 0.00 H new ATOM 0 HZ3 LYS A 90 -0.989 -15.138 0.261 1.00 0.00 H new ATOM 1375 N LEU A 91 0.022 -10.434 2.857 1.00 0.00 N ATOM 1376 CA LEU A 91 1.377 -9.929 2.998 1.00 0.00 C ATOM 1377 C LEU A 91 2.317 -10.747 2.110 1.00 0.00 C ATOM 1378 O LEU A 91 2.221 -11.972 2.062 1.00 0.00 O ATOM 1379 CB LEU A 91 1.790 -9.904 4.471 1.00 0.00 C ATOM 1380 CG LEU A 91 3.089 -9.163 4.791 1.00 0.00 C ATOM 1381 CD1 LEU A 91 3.047 -7.729 4.262 1.00 0.00 C ATOM 1382 CD2 LEU A 91 3.393 -9.212 6.290 1.00 0.00 C ATOM 0 H LEU A 91 -0.066 -11.447 2.937 1.00 0.00 H new ATOM 0 HA LEU A 91 1.435 -8.895 2.657 1.00 0.00 H new ATOM 0 HB2 LEU A 91 0.984 -9.448 5.046 1.00 0.00 H new ATOM 0 HB3 LEU A 91 1.887 -10.933 4.818 1.00 0.00 H new ATOM 0 HG LEU A 91 3.907 -9.671 4.279 1.00 0.00 H new ATOM 0 HD11 LEU A 91 3.983 -7.225 4.503 1.00 0.00 H new ATOM 0 HD12 LEU A 91 2.911 -7.744 3.181 1.00 0.00 H new ATOM 0 HD13 LEU A 91 2.217 -7.195 4.725 1.00 0.00 H new ATOM 0 HD21 LEU A 91 4.322 -8.678 6.491 1.00 0.00 H new ATOM 0 HD22 LEU A 91 2.578 -8.743 6.842 1.00 0.00 H new ATOM 0 HD23 LEU A 91 3.496 -10.250 6.607 1.00 0.00 H new ATOM 1394 N GLU A 92 3.203 -10.036 1.428 1.00 0.00 N ATOM 1395 CA GLU A 92 4.159 -10.680 0.544 1.00 0.00 C ATOM 1396 C GLU A 92 5.494 -9.935 0.572 1.00 0.00 C ATOM 1397 O GLU A 92 5.545 -8.734 0.309 1.00 0.00 O ATOM 1398 CB GLU A 92 3.612 -10.772 -0.882 1.00 0.00 C ATOM 1399 CG GLU A 92 2.588 -11.902 -1.005 1.00 0.00 C ATOM 1400 CD GLU A 92 2.406 -12.320 -2.466 1.00 0.00 C ATOM 1401 OE1 GLU A 92 1.529 -11.719 -3.123 1.00 0.00 O ATOM 1402 OE2 GLU A 92 3.147 -13.232 -2.892 1.00 0.00 O ATOM 0 H GLU A 92 3.279 -9.020 1.470 1.00 0.00 H new ATOM 0 HA GLU A 92 4.325 -11.697 0.900 1.00 0.00 H new ATOM 0 HB2 GLU A 92 3.149 -9.825 -1.159 1.00 0.00 H new ATOM 0 HB3 GLU A 92 4.432 -10.942 -1.580 1.00 0.00 H new ATOM 0 HG2 GLU A 92 2.914 -12.759 -0.416 1.00 0.00 H new ATOM 0 HG3 GLU A 92 1.632 -11.578 -0.594 1.00 0.00 H new ATOM 1409 N GLN A 93 6.544 -10.677 0.892 1.00 0.00 N ATOM 1410 CA GLN A 93 7.876 -10.102 0.958 1.00 0.00 C ATOM 1411 C GLN A 93 8.415 -9.848 -0.451 1.00 0.00 C ATOM 1412 O GLN A 93 8.536 -10.775 -1.250 1.00 0.00 O ATOM 1413 CB GLN A 93 8.824 -11.002 1.753 1.00 0.00 C ATOM 1414 CG GLN A 93 10.149 -10.291 2.033 1.00 0.00 C ATOM 1415 CD GLN A 93 11.315 -11.017 1.358 1.00 0.00 C ATOM 1416 OE1 GLN A 93 11.311 -12.225 1.187 1.00 0.00 O ATOM 1417 NE2 GLN A 93 12.308 -10.215 0.986 1.00 0.00 N ATOM 0 H GLN A 93 6.499 -11.673 1.109 1.00 0.00 H new ATOM 0 HA GLN A 93 7.812 -9.147 1.480 1.00 0.00 H new ATOM 0 HB2 GLN A 93 8.355 -11.289 2.694 1.00 0.00 H new ATOM 0 HB3 GLN A 93 9.011 -11.921 1.197 1.00 0.00 H new ATOM 0 HG2 GLN A 93 10.098 -9.264 1.672 1.00 0.00 H new ATOM 0 HG3 GLN A 93 10.320 -10.243 3.108 1.00 0.00 H new ATOM 0 HE21 GLN A 93 12.246 -9.212 1.160 1.00 0.00 H new ATOM 0 HE22 GLN A 93 13.132 -10.603 0.527 1.00 0.00 H new ATOM 1426 N MET A 94 8.723 -8.586 -0.714 1.00 0.00 N ATOM 1427 CA MET A 94 9.246 -8.199 -2.013 1.00 0.00 C ATOM 1428 C MET A 94 10.763 -8.392 -2.074 1.00 0.00 C ATOM 1429 O MET A 94 11.450 -8.260 -1.062 1.00 0.00 O ATOM 1430 CB MET A 94 8.907 -6.731 -2.283 1.00 0.00 C ATOM 1431 CG MET A 94 7.475 -6.411 -1.850 1.00 0.00 C ATOM 1432 SD MET A 94 6.377 -7.726 -2.350 1.00 0.00 S ATOM 1433 CE MET A 94 6.303 -7.418 -4.106 1.00 0.00 C ATOM 0 H MET A 94 8.620 -7.819 -0.050 1.00 0.00 H new ATOM 0 HA MET A 94 8.787 -8.833 -2.772 1.00 0.00 H new ATOM 0 HB2 MET A 94 9.605 -6.088 -1.747 1.00 0.00 H new ATOM 0 HB3 MET A 94 9.026 -6.516 -3.345 1.00 0.00 H new ATOM 0 HG2 MET A 94 7.434 -6.283 -0.768 1.00 0.00 H new ATOM 0 HG3 MET A 94 7.154 -5.469 -2.295 1.00 0.00 H new ATOM 0 HE1 MET A 94 6.463 -8.351 -4.646 1.00 0.00 H new ATOM 0 HE2 MET A 94 5.324 -7.013 -4.363 1.00 0.00 H new ATOM 0 HE3 MET A 94 7.076 -6.701 -4.383 1.00 0.00 H new ATOM 1443 N PRO A 95 11.253 -8.710 -3.302 1.00 0.00 N ATOM 1444 CA PRO A 95 12.675 -8.923 -3.508 1.00 0.00 C ATOM 1445 C PRO A 95 13.434 -7.594 -3.511 1.00 0.00 C ATOM 1446 O PRO A 95 14.345 -7.393 -2.710 1.00 0.00 O ATOM 1447 CB PRO A 95 12.775 -9.666 -4.830 1.00 0.00 C ATOM 1448 CG PRO A 95 11.451 -9.434 -5.539 1.00 0.00 C ATOM 1449 CD PRO A 95 10.469 -8.874 -4.522 1.00 0.00 C ATOM 0 HA PRO A 95 13.134 -9.501 -2.706 1.00 0.00 H new ATOM 0 HB2 PRO A 95 13.608 -9.293 -5.426 1.00 0.00 H new ATOM 0 HB3 PRO A 95 12.950 -10.730 -4.668 1.00 0.00 H new ATOM 0 HG2 PRO A 95 11.579 -8.739 -6.369 1.00 0.00 H new ATOM 0 HG3 PRO A 95 11.075 -10.367 -5.960 1.00 0.00 H new ATOM 0 HD2 PRO A 95 10.052 -7.924 -4.856 1.00 0.00 H new ATOM 0 HD3 PRO A 95 9.630 -9.553 -4.366 1.00 0.00 H new ATOM 1457 N SER A 96 13.029 -6.720 -4.421 1.00 0.00 N ATOM 1458 CA SER A 96 13.659 -5.416 -4.539 1.00 0.00 C ATOM 1459 C SER A 96 12.661 -4.317 -4.170 1.00 0.00 C ATOM 1460 O SER A 96 11.454 -4.553 -4.144 1.00 0.00 O ATOM 1461 CB SER A 96 14.198 -5.191 -5.954 1.00 0.00 C ATOM 1462 OG SER A 96 15.240 -4.220 -5.979 1.00 0.00 O ATOM 0 H SER A 96 12.272 -6.890 -5.084 1.00 0.00 H new ATOM 0 HA SER A 96 14.501 -5.379 -3.848 1.00 0.00 H new ATOM 0 HB2 SER A 96 14.571 -6.134 -6.354 1.00 0.00 H new ATOM 0 HB3 SER A 96 13.385 -4.868 -6.605 1.00 0.00 H new ATOM 0 HG SER A 96 15.559 -4.106 -6.899 1.00 0.00 H new ATOM 1468 N LYS A 97 13.201 -3.140 -3.893 1.00 0.00 N ATOM 1469 CA LYS A 97 12.373 -2.004 -3.526 1.00 0.00 C ATOM 1470 C LYS A 97 11.366 -1.730 -4.645 1.00 0.00 C ATOM 1471 O LYS A 97 10.184 -1.515 -4.382 1.00 0.00 O ATOM 1472 CB LYS A 97 13.244 -0.797 -3.174 1.00 0.00 C ATOM 1473 CG LYS A 97 12.392 0.462 -2.999 1.00 0.00 C ATOM 1474 CD LYS A 97 13.262 1.666 -2.631 1.00 0.00 C ATOM 1475 CE LYS A 97 13.001 2.841 -3.576 1.00 0.00 C ATOM 1476 NZ LYS A 97 14.276 3.368 -4.111 1.00 0.00 N ATOM 0 H LYS A 97 14.203 -2.948 -3.915 1.00 0.00 H new ATOM 0 HA LYS A 97 11.799 -2.226 -2.627 1.00 0.00 H new ATOM 0 HB2 LYS A 97 13.796 -0.998 -2.256 1.00 0.00 H new ATOM 0 HB3 LYS A 97 13.982 -0.635 -3.960 1.00 0.00 H new ATOM 0 HG2 LYS A 97 11.849 0.669 -3.921 1.00 0.00 H new ATOM 0 HG3 LYS A 97 11.647 0.296 -2.221 1.00 0.00 H new ATOM 0 HD2 LYS A 97 13.056 1.968 -1.604 1.00 0.00 H new ATOM 0 HD3 LYS A 97 14.314 1.386 -2.676 1.00 0.00 H new ATOM 0 HE2 LYS A 97 12.360 2.520 -4.397 1.00 0.00 H new ATOM 0 HE3 LYS A 97 12.468 3.630 -3.046 1.00 0.00 H new ATOM 0 HZ1 LYS A 97 14.081 4.165 -4.750 1.00 0.00 H new ATOM 0 HZ2 LYS A 97 14.874 3.693 -3.325 1.00 0.00 H new ATOM 0 HZ3 LYS A 97 14.770 2.617 -4.634 1.00 0.00 H new ATOM 1490 N GLU A 98 11.872 -1.746 -5.870 1.00 0.00 N ATOM 1491 CA GLU A 98 11.032 -1.502 -7.030 1.00 0.00 C ATOM 1492 C GLU A 98 9.959 -2.587 -7.146 1.00 0.00 C ATOM 1493 O GLU A 98 8.768 -2.284 -7.197 1.00 0.00 O ATOM 1494 CB GLU A 98 11.870 -1.421 -8.307 1.00 0.00 C ATOM 1495 CG GLU A 98 12.876 -0.271 -8.230 1.00 0.00 C ATOM 1496 CD GLU A 98 12.941 0.490 -9.556 1.00 0.00 C ATOM 1497 OE1 GLU A 98 11.865 0.652 -10.171 1.00 0.00 O ATOM 1498 OE2 GLU A 98 14.065 0.893 -9.924 1.00 0.00 O ATOM 0 H GLU A 98 12.853 -1.924 -6.084 1.00 0.00 H new ATOM 0 HA GLU A 98 10.536 -0.540 -6.899 1.00 0.00 H new ATOM 0 HB2 GLU A 98 12.399 -2.362 -8.460 1.00 0.00 H new ATOM 0 HB3 GLU A 98 11.216 -1.280 -9.167 1.00 0.00 H new ATOM 0 HG2 GLU A 98 12.593 0.411 -7.428 1.00 0.00 H new ATOM 0 HG3 GLU A 98 13.863 -0.662 -7.982 1.00 0.00 H new ATOM 1505 N ASP A 99 10.420 -3.828 -7.183 1.00 0.00 N ATOM 1506 CA ASP A 99 9.515 -4.960 -7.293 1.00 0.00 C ATOM 1507 C ASP A 99 8.352 -4.773 -6.316 1.00 0.00 C ATOM 1508 O ASP A 99 7.256 -5.282 -6.546 1.00 0.00 O ATOM 1509 CB ASP A 99 10.224 -6.268 -6.939 1.00 0.00 C ATOM 1510 CG ASP A 99 11.289 -6.719 -7.941 1.00 0.00 C ATOM 1511 OD1 ASP A 99 10.900 -6.995 -9.096 1.00 0.00 O ATOM 1512 OD2 ASP A 99 12.467 -6.777 -7.529 1.00 0.00 O ATOM 0 H ASP A 99 11.409 -4.075 -7.139 1.00 0.00 H new ATOM 0 HA ASP A 99 9.160 -5.010 -8.322 1.00 0.00 H new ATOM 0 HB2 ASP A 99 10.691 -6.157 -5.961 1.00 0.00 H new ATOM 0 HB3 ASP A 99 9.476 -7.056 -6.848 1.00 0.00 H new ATOM 1517 N ALA A 100 8.630 -4.042 -5.247 1.00 0.00 N ATOM 1518 CA ALA A 100 7.621 -3.782 -4.235 1.00 0.00 C ATOM 1519 C ALA A 100 6.724 -2.632 -4.699 1.00 0.00 C ATOM 1520 O ALA A 100 5.500 -2.758 -4.702 1.00 0.00 O ATOM 1521 CB ALA A 100 8.303 -3.486 -2.898 1.00 0.00 C ATOM 0 H ALA A 100 9.540 -3.621 -5.060 1.00 0.00 H new ATOM 0 HA ALA A 100 6.987 -4.657 -4.091 1.00 0.00 H new ATOM 0 HB1 ALA A 100 7.546 -3.291 -2.139 1.00 0.00 H new ATOM 0 HB2 ALA A 100 8.905 -4.344 -2.599 1.00 0.00 H new ATOM 0 HB3 ALA A 100 8.945 -2.612 -3.003 1.00 0.00 H new ATOM 1527 N ILE A 101 7.367 -1.538 -5.080 1.00 0.00 N ATOM 1528 CA ILE A 101 6.643 -0.368 -5.545 1.00 0.00 C ATOM 1529 C ILE A 101 5.764 -0.757 -6.735 1.00 0.00 C ATOM 1530 O ILE A 101 4.560 -0.504 -6.731 1.00 0.00 O ATOM 1531 CB ILE A 101 7.612 0.778 -5.844 1.00 0.00 C ATOM 1532 CG1 ILE A 101 8.201 1.349 -4.552 1.00 0.00 C ATOM 1533 CG2 ILE A 101 6.939 1.858 -6.693 1.00 0.00 C ATOM 1534 CD1 ILE A 101 9.721 1.490 -4.659 1.00 0.00 C ATOM 0 H ILE A 101 8.382 -1.438 -5.076 1.00 0.00 H new ATOM 0 HA ILE A 101 5.978 0.003 -4.765 1.00 0.00 H new ATOM 0 HB ILE A 101 8.442 0.380 -6.428 1.00 0.00 H new ATOM 0 HG12 ILE A 101 7.756 2.322 -4.344 1.00 0.00 H new ATOM 0 HG13 ILE A 101 7.950 0.698 -3.715 1.00 0.00 H new ATOM 0 HG21 ILE A 101 7.650 2.661 -6.891 1.00 0.00 H new ATOM 0 HG22 ILE A 101 6.608 1.425 -7.637 1.00 0.00 H new ATOM 0 HG23 ILE A 101 6.079 2.259 -6.157 1.00 0.00 H new ATOM 0 HD11 ILE A 101 10.115 1.898 -3.728 1.00 0.00 H new ATOM 0 HD12 ILE A 101 10.165 0.512 -4.843 1.00 0.00 H new ATOM 0 HD13 ILE A 101 9.967 2.161 -5.482 1.00 0.00 H new ATOM 1546 N GLU A 102 6.400 -1.365 -7.725 1.00 0.00 N ATOM 1547 CA GLU A 102 5.691 -1.791 -8.920 1.00 0.00 C ATOM 1548 C GLU A 102 4.359 -2.442 -8.543 1.00 0.00 C ATOM 1549 O GLU A 102 3.303 -2.019 -9.012 1.00 0.00 O ATOM 1550 CB GLU A 102 6.549 -2.743 -9.756 1.00 0.00 C ATOM 1551 CG GLU A 102 7.920 -2.132 -10.049 1.00 0.00 C ATOM 1552 CD GLU A 102 8.342 -2.399 -11.496 1.00 0.00 C ATOM 1553 OE1 GLU A 102 7.806 -1.698 -12.381 1.00 0.00 O ATOM 1554 OE2 GLU A 102 9.190 -3.297 -11.683 1.00 0.00 O ATOM 0 H GLU A 102 7.399 -1.573 -7.725 1.00 0.00 H new ATOM 0 HA GLU A 102 5.484 -0.911 -9.529 1.00 0.00 H new ATOM 0 HB2 GLU A 102 6.674 -3.687 -9.225 1.00 0.00 H new ATOM 0 HB3 GLU A 102 6.040 -2.969 -10.693 1.00 0.00 H new ATOM 0 HG2 GLU A 102 7.889 -1.058 -9.868 1.00 0.00 H new ATOM 0 HG3 GLU A 102 8.661 -2.549 -9.367 1.00 0.00 H new ATOM 1561 N HIS A 103 4.451 -3.459 -7.699 1.00 0.00 N ATOM 1562 CA HIS A 103 3.266 -4.171 -7.253 1.00 0.00 C ATOM 1563 C HIS A 103 2.313 -3.198 -6.558 1.00 0.00 C ATOM 1564 O HIS A 103 1.111 -3.204 -6.822 1.00 0.00 O ATOM 1565 CB HIS A 103 3.647 -5.361 -6.369 1.00 0.00 C ATOM 1566 CG HIS A 103 2.518 -6.333 -6.127 1.00 0.00 C ATOM 1567 ND1 HIS A 103 2.152 -7.011 -5.002 1.00 0.00 N flip ATOM 1568 CD2 HIS A 103 1.618 -6.698 -7.113 1.00 0.00 C flip ATOM 1569 CE1 HIS A 103 1.086 -7.750 -5.285 1.00 0.00 C flip ATOM 1570 NE2 HIS A 103 0.754 -7.558 -6.594 1.00 0.00 N flip ATOM 0 H HIS A 103 5.328 -3.807 -7.312 1.00 0.00 H new ATOM 0 HA HIS A 103 2.742 -4.586 -8.114 1.00 0.00 H new ATOM 0 HB2 HIS A 103 4.478 -5.893 -6.832 1.00 0.00 H new ATOM 0 HB3 HIS A 103 4.003 -4.988 -5.409 1.00 0.00 H new ATOM 0 HD2 HIS A 103 1.620 -6.342 -8.133 1.00 0.00 H new ATOM 0 HE1 HIS A 103 0.567 -8.397 -4.593 1.00 0.00 H new ATOM 0 HE2 HIS A 103 -0.023 -7.999 -7.087 1.00 0.00 H new ATOM 1578 N PHE A 104 2.884 -2.384 -5.682 1.00 0.00 N ATOM 1579 CA PHE A 104 2.100 -1.406 -4.947 1.00 0.00 C ATOM 1580 C PHE A 104 1.441 -0.404 -5.897 1.00 0.00 C ATOM 1581 O PHE A 104 0.342 0.079 -5.631 1.00 0.00 O ATOM 1582 CB PHE A 104 3.067 -0.658 -4.027 1.00 0.00 C ATOM 1583 CG PHE A 104 2.421 0.486 -3.242 1.00 0.00 C ATOM 1584 CD1 PHE A 104 2.383 1.737 -3.773 1.00 0.00 C ATOM 1585 CD2 PHE A 104 1.885 0.251 -2.015 1.00 0.00 C ATOM 1586 CE1 PHE A 104 1.783 2.799 -3.045 1.00 0.00 C ATOM 1587 CE2 PHE A 104 1.285 1.313 -1.287 1.00 0.00 C ATOM 1588 CZ PHE A 104 1.247 2.564 -1.818 1.00 0.00 C ATOM 0 H PHE A 104 3.881 -2.382 -5.465 1.00 0.00 H new ATOM 0 HA PHE A 104 1.311 -1.908 -4.387 1.00 0.00 H new ATOM 0 HB2 PHE A 104 3.504 -1.366 -3.323 1.00 0.00 H new ATOM 0 HB3 PHE A 104 3.885 -0.258 -4.626 1.00 0.00 H new ATOM 0 HD1 PHE A 104 2.809 1.923 -4.748 1.00 0.00 H new ATOM 0 HD2 PHE A 104 1.915 -0.743 -1.594 1.00 0.00 H new ATOM 0 HE1 PHE A 104 1.753 3.793 -3.466 1.00 0.00 H new ATOM 0 HE2 PHE A 104 0.859 1.127 -0.312 1.00 0.00 H new ATOM 0 HZ PHE A 104 0.791 3.372 -1.265 1.00 0.00 H new ATOM 1598 N MET A 105 2.142 -0.122 -6.986 1.00 0.00 N ATOM 1599 CA MET A 105 1.639 0.814 -7.977 1.00 0.00 C ATOM 1600 C MET A 105 0.556 0.166 -8.843 1.00 0.00 C ATOM 1601 O MET A 105 -0.427 0.813 -9.200 1.00 0.00 O ATOM 1602 CB MET A 105 2.791 1.283 -8.867 1.00 0.00 C ATOM 1603 CG MET A 105 3.340 2.629 -8.389 1.00 0.00 C ATOM 1604 SD MET A 105 3.971 3.559 -9.777 1.00 0.00 S ATOM 1605 CE MET A 105 4.621 2.227 -10.772 1.00 0.00 C ATOM 0 H MET A 105 3.053 -0.525 -7.203 1.00 0.00 H new ATOM 0 HA MET A 105 1.201 1.665 -7.456 1.00 0.00 H new ATOM 0 HB2 MET A 105 3.587 0.538 -8.860 1.00 0.00 H new ATOM 0 HB3 MET A 105 2.446 1.372 -9.897 1.00 0.00 H new ATOM 0 HG2 MET A 105 2.554 3.195 -7.889 1.00 0.00 H new ATOM 0 HG3 MET A 105 4.132 2.469 -7.658 1.00 0.00 H new ATOM 0 HE1 MET A 105 5.412 2.608 -11.418 1.00 0.00 H new ATOM 0 HE2 MET A 105 5.026 1.451 -10.122 1.00 0.00 H new ATOM 0 HE3 MET A 105 3.823 1.807 -11.384 1.00 0.00 H new ATOM 1615 N LYS A 106 0.774 -1.103 -9.155 1.00 0.00 N ATOM 1616 CA LYS A 106 -0.171 -1.846 -9.972 1.00 0.00 C ATOM 1617 C LYS A 106 -1.375 -2.245 -9.116 1.00 0.00 C ATOM 1618 O LYS A 106 -2.517 -2.152 -9.562 1.00 0.00 O ATOM 1619 CB LYS A 106 0.521 -3.029 -10.650 1.00 0.00 C ATOM 1620 CG LYS A 106 -0.418 -4.233 -10.745 1.00 0.00 C ATOM 1621 CD LYS A 106 0.305 -5.449 -11.329 1.00 0.00 C ATOM 1622 CE LYS A 106 -0.155 -5.724 -12.762 1.00 0.00 C ATOM 1623 NZ LYS A 106 -0.901 -7.001 -12.830 1.00 0.00 N ATOM 0 H LYS A 106 1.591 -1.636 -8.857 1.00 0.00 H new ATOM 0 HA LYS A 106 -0.548 -1.221 -10.782 1.00 0.00 H new ATOM 0 HB2 LYS A 106 0.849 -2.740 -11.648 1.00 0.00 H new ATOM 0 HB3 LYS A 106 1.414 -3.303 -10.088 1.00 0.00 H new ATOM 0 HG2 LYS A 106 -0.804 -4.476 -9.755 1.00 0.00 H new ATOM 0 HG3 LYS A 106 -1.276 -3.981 -11.369 1.00 0.00 H new ATOM 0 HD2 LYS A 106 1.381 -5.278 -11.315 1.00 0.00 H new ATOM 0 HD3 LYS A 106 0.113 -6.324 -10.707 1.00 0.00 H new ATOM 0 HE2 LYS A 106 -0.787 -4.907 -13.110 1.00 0.00 H new ATOM 0 HE3 LYS A 106 0.708 -5.764 -13.426 1.00 0.00 H new ATOM 0 HZ1 LYS A 106 -1.206 -7.173 -13.809 1.00 0.00 H new ATOM 0 HZ2 LYS A 106 -0.286 -7.779 -12.517 1.00 0.00 H new ATOM 0 HZ3 LYS A 106 -1.735 -6.949 -12.211 1.00 0.00 H new ATOM 1637 N LEU A 107 -1.078 -2.682 -7.901 1.00 0.00 N ATOM 1638 CA LEU A 107 -2.121 -3.096 -6.978 1.00 0.00 C ATOM 1639 C LEU A 107 -3.153 -1.975 -6.846 1.00 0.00 C ATOM 1640 O LEU A 107 -4.337 -2.182 -7.108 1.00 0.00 O ATOM 1641 CB LEU A 107 -1.514 -3.533 -5.644 1.00 0.00 C ATOM 1642 CG LEU A 107 -1.184 -5.022 -5.513 1.00 0.00 C ATOM 1643 CD1 LEU A 107 -0.711 -5.356 -4.096 1.00 0.00 C ATOM 1644 CD2 LEU A 107 -2.371 -5.886 -5.940 1.00 0.00 C ATOM 0 H LEU A 107 -0.129 -2.758 -7.534 1.00 0.00 H new ATOM 0 HA LEU A 107 -2.646 -3.970 -7.364 1.00 0.00 H new ATOM 0 HB2 LEU A 107 -0.600 -2.963 -5.479 1.00 0.00 H new ATOM 0 HB3 LEU A 107 -2.206 -3.263 -4.847 1.00 0.00 H new ATOM 0 HG LEU A 107 -0.360 -5.250 -6.189 1.00 0.00 H new ATOM 0 HD11 LEU A 107 -0.483 -6.420 -4.030 1.00 0.00 H new ATOM 0 HD12 LEU A 107 0.184 -4.778 -3.866 1.00 0.00 H new ATOM 0 HD13 LEU A 107 -1.497 -5.108 -3.382 1.00 0.00 H new ATOM 0 HD21 LEU A 107 -2.110 -6.939 -5.837 1.00 0.00 H new ATOM 0 HD22 LEU A 107 -3.230 -5.662 -5.308 1.00 0.00 H new ATOM 0 HD23 LEU A 107 -2.620 -5.674 -6.980 1.00 0.00 H new ATOM 1656 N TYR A 108 -2.667 -0.811 -6.440 1.00 0.00 N ATOM 1657 CA TYR A 108 -3.533 0.343 -6.270 1.00 0.00 C ATOM 1658 C TYR A 108 -4.130 0.783 -7.608 1.00 0.00 C ATOM 1659 O TYR A 108 -5.019 1.632 -7.647 1.00 0.00 O ATOM 1660 CB TYR A 108 -2.641 1.463 -5.730 1.00 0.00 C ATOM 1661 CG TYR A 108 -3.392 2.759 -5.416 1.00 0.00 C ATOM 1662 CD1 TYR A 108 -3.751 3.615 -6.438 1.00 0.00 C ATOM 1663 CD2 TYR A 108 -3.710 3.072 -4.110 1.00 0.00 C ATOM 1664 CE1 TYR A 108 -4.457 4.834 -6.141 1.00 0.00 C ATOM 1665 CE2 TYR A 108 -4.416 4.292 -3.814 1.00 0.00 C ATOM 1666 CZ TYR A 108 -4.755 5.112 -4.844 1.00 0.00 C ATOM 1667 OH TYR A 108 -5.422 6.264 -4.564 1.00 0.00 O ATOM 0 H TYR A 108 -1.685 -0.643 -6.224 1.00 0.00 H new ATOM 0 HA TYR A 108 -4.360 0.107 -5.600 1.00 0.00 H new ATOM 0 HB2 TYR A 108 -2.145 1.114 -4.824 1.00 0.00 H new ATOM 0 HB3 TYR A 108 -1.860 1.675 -6.460 1.00 0.00 H new ATOM 0 HD1 TYR A 108 -3.502 3.370 -7.460 1.00 0.00 H new ATOM 0 HD2 TYR A 108 -3.430 2.402 -3.310 1.00 0.00 H new ATOM 0 HE1 TYR A 108 -4.744 5.512 -6.931 1.00 0.00 H new ATOM 0 HE2 TYR A 108 -4.670 4.550 -2.797 1.00 0.00 H new ATOM 0 HH TYR A 108 -5.568 6.331 -3.597 1.00 0.00 H new ATOM 1677 N GLU A 109 -3.618 0.184 -8.673 1.00 0.00 N ATOM 1678 CA GLU A 109 -4.089 0.503 -10.010 1.00 0.00 C ATOM 1679 C GLU A 109 -5.202 -0.462 -10.425 1.00 0.00 C ATOM 1680 O GLU A 109 -5.981 -0.164 -11.329 1.00 0.00 O ATOM 1681 CB GLU A 109 -2.938 0.479 -11.018 1.00 0.00 C ATOM 1682 CG GLU A 109 -3.464 0.553 -12.453 1.00 0.00 C ATOM 1683 CD GLU A 109 -2.311 0.593 -13.458 1.00 0.00 C ATOM 1684 OE1 GLU A 109 -1.626 1.637 -13.495 1.00 0.00 O ATOM 1685 OE2 GLU A 109 -2.141 -0.423 -14.166 1.00 0.00 O ATOM 0 H GLU A 109 -2.881 -0.521 -8.637 1.00 0.00 H new ATOM 0 HA GLU A 109 -4.497 1.514 -9.999 1.00 0.00 H new ATOM 0 HB2 GLU A 109 -2.267 1.317 -10.829 1.00 0.00 H new ATOM 0 HB3 GLU A 109 -2.354 -0.432 -10.887 1.00 0.00 H new ATOM 0 HG2 GLU A 109 -4.099 -0.309 -12.656 1.00 0.00 H new ATOM 0 HG3 GLU A 109 -4.085 1.441 -12.571 1.00 0.00 H new ATOM 1692 N GLU A 110 -5.240 -1.598 -9.745 1.00 0.00 N ATOM 1693 CA GLU A 110 -6.244 -2.609 -10.031 1.00 0.00 C ATOM 1694 C GLU A 110 -7.515 -2.338 -9.224 1.00 0.00 C ATOM 1695 O GLU A 110 -8.623 -2.443 -9.749 1.00 0.00 O ATOM 1696 CB GLU A 110 -5.705 -4.012 -9.750 1.00 0.00 C ATOM 1697 CG GLU A 110 -6.093 -4.478 -8.345 1.00 0.00 C ATOM 1698 CD GLU A 110 -5.602 -5.903 -8.085 1.00 0.00 C ATOM 1699 OE1 GLU A 110 -4.445 -6.183 -8.464 1.00 0.00 O ATOM 1700 OE2 GLU A 110 -6.396 -6.681 -7.512 1.00 0.00 O ATOM 0 H GLU A 110 -4.591 -1.841 -8.996 1.00 0.00 H new ATOM 0 HA GLU A 110 -6.492 -2.557 -11.091 1.00 0.00 H new ATOM 0 HB2 GLU A 110 -6.096 -4.711 -10.490 1.00 0.00 H new ATOM 0 HB3 GLU A 110 -4.620 -4.015 -9.851 1.00 0.00 H new ATOM 0 HG2 GLU A 110 -5.668 -3.802 -7.603 1.00 0.00 H new ATOM 0 HG3 GLU A 110 -7.176 -4.436 -8.230 1.00 0.00 H new ATOM 1707 N LYS A 111 -7.313 -1.993 -7.961 1.00 0.00 N ATOM 1708 CA LYS A 111 -8.430 -1.706 -7.076 1.00 0.00 C ATOM 1709 C LYS A 111 -9.207 -0.504 -7.616 1.00 0.00 C ATOM 1710 O LYS A 111 -10.426 -0.564 -7.764 1.00 0.00 O ATOM 1711 CB LYS A 111 -7.941 -1.527 -5.637 1.00 0.00 C ATOM 1712 CG LYS A 111 -7.292 -2.810 -5.115 1.00 0.00 C ATOM 1713 CD LYS A 111 -8.349 -3.870 -4.798 1.00 0.00 C ATOM 1714 CE LYS A 111 -7.736 -5.271 -4.793 1.00 0.00 C ATOM 1715 NZ LYS A 111 -8.517 -6.175 -3.918 1.00 0.00 N ATOM 0 H LYS A 111 -6.393 -1.906 -7.529 1.00 0.00 H new ATOM 0 HA LYS A 111 -9.122 -2.548 -7.050 1.00 0.00 H new ATOM 0 HB2 LYS A 111 -7.223 -0.708 -5.592 1.00 0.00 H new ATOM 0 HB3 LYS A 111 -8.779 -1.252 -4.996 1.00 0.00 H new ATOM 0 HG2 LYS A 111 -6.595 -3.197 -5.858 1.00 0.00 H new ATOM 0 HG3 LYS A 111 -6.712 -2.590 -4.218 1.00 0.00 H new ATOM 0 HD2 LYS A 111 -8.798 -3.662 -3.827 1.00 0.00 H new ATOM 0 HD3 LYS A 111 -9.150 -3.822 -5.536 1.00 0.00 H new ATOM 0 HE2 LYS A 111 -7.713 -5.668 -5.808 1.00 0.00 H new ATOM 0 HE3 LYS A 111 -6.704 -5.222 -4.446 1.00 0.00 H new ATOM 0 HZ1 LYS A 111 -8.172 -7.150 -4.030 1.00 0.00 H new ATOM 0 HZ2 LYS A 111 -8.406 -5.880 -2.927 1.00 0.00 H new ATOM 0 HZ3 LYS A 111 -9.522 -6.131 -4.182 1.00 0.00 H new ATOM 1729 N THR A 112 -8.469 0.560 -7.895 1.00 0.00 N ATOM 1730 CA THR A 112 -9.073 1.775 -8.415 1.00 0.00 C ATOM 1731 C THR A 112 -9.251 1.675 -9.931 1.00 0.00 C ATOM 1732 O THR A 112 -10.296 2.047 -10.463 1.00 0.00 O ATOM 1733 CB THR A 112 -8.205 2.958 -7.982 1.00 0.00 C ATOM 1734 OG1 THR A 112 -7.043 2.853 -8.799 1.00 0.00 O ATOM 1735 CG2 THR A 112 -7.674 2.803 -6.556 1.00 0.00 C ATOM 0 H THR A 112 -7.458 0.606 -7.771 1.00 0.00 H new ATOM 0 HA THR A 112 -10.074 1.923 -8.010 1.00 0.00 H new ATOM 0 HB THR A 112 -8.783 3.879 -8.055 1.00 0.00 H new ATOM 0 HG1 THR A 112 -6.473 2.129 -8.466 1.00 0.00 H new ATOM 0 HG21 THR A 112 -7.064 3.669 -6.299 1.00 0.00 H new ATOM 0 HG22 THR A 112 -8.511 2.729 -5.862 1.00 0.00 H new ATOM 0 HG23 THR A 112 -7.067 1.900 -6.490 1.00 0.00 H new ATOM 1743 N GLY A 113 -8.215 1.170 -10.585 1.00 0.00 N ATOM 1744 CA GLY A 113 -8.244 1.017 -12.029 1.00 0.00 C ATOM 1745 C GLY A 113 -7.328 2.037 -12.708 1.00 0.00 C ATOM 1746 O GLY A 113 -6.877 1.822 -13.832 1.00 0.00 O ATOM 0 H GLY A 113 -7.350 0.862 -10.141 1.00 0.00 H new ATOM 0 HA2 GLY A 113 -7.932 0.008 -12.297 1.00 0.00 H new ATOM 0 HA3 GLY A 113 -9.265 1.142 -12.391 1.00 0.00 H new ATOM 1750 N ASN A 114 -7.081 3.127 -11.996 1.00 0.00 N ATOM 1751 CA ASN A 114 -6.227 4.182 -12.516 1.00 0.00 C ATOM 1752 C ASN A 114 -4.848 4.086 -11.859 1.00 0.00 C ATOM 1753 O ASN A 114 -4.716 3.546 -10.762 1.00 0.00 O ATOM 1754 CB ASN A 114 -6.805 5.564 -12.202 1.00 0.00 C ATOM 1755 CG ASN A 114 -8.003 5.874 -13.102 1.00 0.00 C ATOM 1756 OD1 ASN A 114 -7.920 5.851 -14.319 1.00 0.00 O ATOM 1757 ND2 ASN A 114 -9.118 6.165 -12.437 1.00 0.00 N ATOM 0 H ASN A 114 -7.457 3.302 -11.064 1.00 0.00 H new ATOM 0 HA ASN A 114 -6.157 4.057 -13.597 1.00 0.00 H new ATOM 0 HB2 ASN A 114 -7.111 5.605 -11.157 1.00 0.00 H new ATOM 0 HB3 ASN A 114 -6.036 6.324 -12.340 1.00 0.00 H new ATOM 0 HD21 ASN A 114 -9.973 6.387 -12.947 1.00 0.00 H new ATOM 0 HD22 ASN A 114 -9.118 6.166 -11.417 1.00 0.00 H new ATOM 1764 N ALA A 115 -3.857 4.619 -12.558 1.00 0.00 N ATOM 1765 CA ALA A 115 -2.493 4.600 -12.056 1.00 0.00 C ATOM 1766 C ALA A 115 -2.439 5.329 -10.712 1.00 0.00 C ATOM 1767 O ALA A 115 -3.282 6.179 -10.427 1.00 0.00 O ATOM 1768 CB ALA A 115 -1.558 5.223 -13.095 1.00 0.00 C ATOM 0 H ALA A 115 -3.971 5.067 -13.467 1.00 0.00 H new ATOM 0 HA ALA A 115 -2.159 3.576 -11.889 1.00 0.00 H new ATOM 0 HB1 ALA A 115 -0.535 5.209 -12.719 1.00 0.00 H new ATOM 0 HB2 ALA A 115 -1.612 4.652 -14.022 1.00 0.00 H new ATOM 0 HB3 ALA A 115 -1.860 6.253 -13.286 1.00 0.00 H new ATOM 1774 N TRP A 116 -1.439 4.969 -9.920 1.00 0.00 N ATOM 1775 CA TRP A 116 -1.264 5.578 -8.612 1.00 0.00 C ATOM 1776 C TRP A 116 -0.602 6.942 -8.811 1.00 0.00 C ATOM 1777 O TRP A 116 -1.174 7.972 -8.456 1.00 0.00 O ATOM 1778 CB TRP A 116 -0.471 4.658 -7.681 1.00 0.00 C ATOM 1779 CG TRP A 116 0.461 5.399 -6.721 1.00 0.00 C ATOM 1780 CD1 TRP A 116 1.726 5.788 -6.934 1.00 0.00 C ATOM 1781 CD2 TRP A 116 0.149 5.827 -5.378 1.00 0.00 C ATOM 1782 NE1 TRP A 116 2.249 6.433 -5.832 1.00 0.00 N ATOM 1783 CE2 TRP A 116 1.260 6.457 -4.856 1.00 0.00 C ATOM 1784 CE3 TRP A 116 -1.033 5.687 -4.631 1.00 0.00 C ATOM 1785 CZ2 TRP A 116 1.299 6.997 -3.565 1.00 0.00 C ATOM 1786 CZ3 TRP A 116 -0.978 6.231 -3.342 1.00 0.00 C ATOM 1787 CH2 TRP A 116 0.132 6.869 -2.801 1.00 0.00 C ATOM 0 H TRP A 116 -0.742 4.264 -10.159 1.00 0.00 H new ATOM 0 HA TRP A 116 -2.227 5.727 -8.123 1.00 0.00 H new ATOM 0 HB2 TRP A 116 -1.170 4.056 -7.100 1.00 0.00 H new ATOM 0 HB3 TRP A 116 0.119 3.968 -8.285 1.00 0.00 H new ATOM 0 HD1 TRP A 116 2.268 5.618 -7.853 1.00 0.00 H new ATOM 0 HE1 TRP A 116 3.189 6.821 -5.749 1.00 0.00 H new ATOM 0 HE3 TRP A 116 -1.914 5.199 -5.020 1.00 0.00 H new ATOM 0 HZ2 TRP A 116 2.181 7.486 -3.179 1.00 0.00 H new ATOM 0 HZ3 TRP A 116 -1.860 6.149 -2.725 1.00 0.00 H new ATOM 0 HH2 TRP A 116 0.095 7.264 -1.797 1.00 0.00 H new ATOM 1798 N HIS A 117 0.596 6.907 -9.377 1.00 0.00 N ATOM 1799 CA HIS A 117 1.342 8.128 -9.627 1.00 0.00 C ATOM 1800 C HIS A 117 0.413 9.182 -10.232 1.00 0.00 C ATOM 1801 O HIS A 117 0.356 10.314 -9.752 1.00 0.00 O ATOM 1802 CB HIS A 117 2.567 7.847 -10.499 1.00 0.00 C ATOM 1803 CG HIS A 117 3.885 8.079 -9.799 1.00 0.00 C ATOM 1804 ND1 HIS A 117 4.038 8.993 -8.771 1.00 0.00 N ATOM 1805 CD2 HIS A 117 5.109 7.507 -9.990 1.00 0.00 C ATOM 1806 CE1 HIS A 117 5.300 8.964 -8.369 1.00 0.00 C ATOM 1807 NE2 HIS A 117 5.962 8.043 -9.126 1.00 0.00 N ATOM 0 H HIS A 117 1.068 6.052 -9.669 1.00 0.00 H new ATOM 0 HA HIS A 117 1.722 8.526 -8.686 1.00 0.00 H new ATOM 0 HB2 HIS A 117 2.527 6.813 -10.842 1.00 0.00 H new ATOM 0 HB3 HIS A 117 2.522 8.479 -11.386 1.00 0.00 H new ATOM 0 HD2 HIS A 117 5.344 6.747 -10.720 1.00 0.00 H new ATOM 0 HE1 HIS A 117 5.729 9.564 -7.580 1.00 0.00 H new ATOM 0 HE2 HIS A 117 6.950 7.805 -9.042 1.00 0.00 H new ATOM 1815 N SER A 118 -0.292 8.774 -11.276 1.00 0.00 N ATOM 1816 CA SER A 118 -1.216 9.669 -11.952 1.00 0.00 C ATOM 1817 C SER A 118 -1.967 10.519 -10.925 1.00 0.00 C ATOM 1818 O SER A 118 -2.806 10.007 -10.185 1.00 0.00 O ATOM 1819 CB SER A 118 -2.205 8.888 -12.819 1.00 0.00 C ATOM 1820 OG SER A 118 -2.681 9.664 -13.916 1.00 0.00 O ATOM 0 H SER A 118 -0.242 7.835 -11.671 1.00 0.00 H new ATOM 0 HA SER A 118 -0.640 10.324 -12.606 1.00 0.00 H new ATOM 0 HB2 SER A 118 -1.723 7.985 -13.195 1.00 0.00 H new ATOM 0 HB3 SER A 118 -3.049 8.568 -12.208 1.00 0.00 H new ATOM 0 HG SER A 118 -3.309 9.130 -14.447 1.00 0.00 H new ATOM 1826 N LYS A 119 -1.638 11.803 -10.912 1.00 0.00 N ATOM 1827 CA LYS A 119 -2.271 12.728 -9.988 1.00 0.00 C ATOM 1828 C LYS A 119 -3.783 12.723 -10.224 1.00 0.00 C ATOM 1829 O LYS A 119 -4.524 12.051 -9.508 1.00 0.00 O ATOM 1830 CB LYS A 119 -1.635 14.115 -10.099 1.00 0.00 C ATOM 1831 CG LYS A 119 -0.974 14.523 -8.781 1.00 0.00 C ATOM 1832 CD LYS A 119 0.503 14.125 -8.763 1.00 0.00 C ATOM 1833 CE LYS A 119 1.392 15.331 -8.451 1.00 0.00 C ATOM 1834 NZ LYS A 119 2.783 14.897 -8.195 1.00 0.00 N ATOM 0 H LYS A 119 -0.941 12.224 -11.527 1.00 0.00 H new ATOM 0 HA LYS A 119 -2.108 12.410 -8.958 1.00 0.00 H new ATOM 0 HB2 LYS A 119 -0.893 14.116 -10.897 1.00 0.00 H new ATOM 0 HB3 LYS A 119 -2.396 14.847 -10.370 1.00 0.00 H new ATOM 0 HG2 LYS A 119 -1.066 15.600 -8.642 1.00 0.00 H new ATOM 0 HG3 LYS A 119 -1.492 14.049 -7.948 1.00 0.00 H new ATOM 0 HD2 LYS A 119 0.665 13.347 -8.017 1.00 0.00 H new ATOM 0 HD3 LYS A 119 0.782 13.703 -9.729 1.00 0.00 H new ATOM 0 HE2 LYS A 119 1.371 16.031 -9.286 1.00 0.00 H new ATOM 0 HE3 LYS A 119 1.004 15.861 -7.581 1.00 0.00 H new ATOM 0 HZ1 LYS A 119 3.373 15.728 -7.985 1.00 0.00 H new ATOM 0 HZ2 LYS A 119 2.800 14.246 -7.384 1.00 0.00 H new ATOM 0 HZ3 LYS A 119 3.156 14.412 -9.036 1.00 0.00 H new ATOM 1848 N ASN A 120 -4.195 13.482 -11.229 1.00 0.00 N ATOM 1849 CA ASN A 120 -5.605 13.573 -11.568 1.00 0.00 C ATOM 1850 C ASN A 120 -6.234 12.180 -11.497 1.00 0.00 C ATOM 1851 O ASN A 120 -6.127 11.399 -12.441 1.00 0.00 O ATOM 1852 CB ASN A 120 -5.796 14.107 -12.989 1.00 0.00 C ATOM 1853 CG ASN A 120 -6.070 15.612 -12.977 1.00 0.00 C ATOM 1854 OD1 ASN A 120 -5.367 16.392 -12.355 1.00 0.00 O ATOM 1855 ND2 ASN A 120 -7.127 15.976 -13.697 1.00 0.00 N ATOM 0 H ASN A 120 -3.577 14.039 -11.819 1.00 0.00 H new ATOM 0 HA ASN A 120 -6.079 14.253 -10.860 1.00 0.00 H new ATOM 0 HB2 ASN A 120 -4.905 13.901 -13.582 1.00 0.00 H new ATOM 0 HB3 ASN A 120 -6.625 13.587 -13.468 1.00 0.00 H new ATOM 0 HD21 ASN A 120 -7.392 16.959 -13.753 1.00 0.00 H new ATOM 0 HD22 ASN A 120 -7.673 15.272 -14.194 1.00 0.00 H new ATOM 1862 N PHE A 121 -6.876 11.912 -10.370 1.00 0.00 N ATOM 1863 CA PHE A 121 -7.522 10.627 -10.164 1.00 0.00 C ATOM 1864 C PHE A 121 -9.022 10.715 -10.450 1.00 0.00 C ATOM 1865 O PHE A 121 -9.746 11.442 -9.771 1.00 0.00 O ATOM 1866 CB PHE A 121 -7.316 10.253 -8.695 1.00 0.00 C ATOM 1867 CG PHE A 121 -8.044 8.977 -8.269 1.00 0.00 C ATOM 1868 CD1 PHE A 121 -7.530 7.760 -8.595 1.00 0.00 C ATOM 1869 CD2 PHE A 121 -9.205 9.058 -7.566 1.00 0.00 C ATOM 1870 CE1 PHE A 121 -8.206 6.575 -8.200 1.00 0.00 C ATOM 1871 CE2 PHE A 121 -9.881 7.873 -7.172 1.00 0.00 C ATOM 1872 CZ PHE A 121 -9.367 6.657 -7.497 1.00 0.00 C ATOM 0 H PHE A 121 -6.963 12.563 -9.590 1.00 0.00 H new ATOM 0 HA PHE A 121 -7.094 9.884 -10.837 1.00 0.00 H new ATOM 0 HB2 PHE A 121 -6.249 10.130 -8.508 1.00 0.00 H new ATOM 0 HB3 PHE A 121 -7.656 11.079 -8.070 1.00 0.00 H new ATOM 0 HD1 PHE A 121 -6.608 7.695 -9.154 1.00 0.00 H new ATOM 0 HD2 PHE A 121 -9.613 10.024 -7.307 1.00 0.00 H new ATOM 0 HE1 PHE A 121 -7.798 5.609 -8.458 1.00 0.00 H new ATOM 0 HE2 PHE A 121 -10.803 7.938 -6.614 1.00 0.00 H new ATOM 0 HZ PHE A 121 -9.881 5.756 -7.197 1.00 0.00 H new ATOM 1882 N THR A 122 -9.445 9.965 -11.457 1.00 0.00 N ATOM 1883 CA THR A 122 -10.846 9.950 -11.841 1.00 0.00 C ATOM 1884 C THR A 122 -11.610 8.899 -11.033 1.00 0.00 C ATOM 1885 O THR A 122 -11.243 7.724 -11.031 1.00 0.00 O ATOM 1886 CB THR A 122 -10.920 9.724 -13.353 1.00 0.00 C ATOM 1887 OG1 THR A 122 -10.456 10.951 -13.909 1.00 0.00 O ATOM 1888 CG2 THR A 122 -12.359 9.606 -13.858 1.00 0.00 C ATOM 0 H THR A 122 -8.842 9.364 -12.018 1.00 0.00 H new ATOM 0 HA THR A 122 -11.327 10.902 -11.615 1.00 0.00 H new ATOM 0 HB THR A 122 -10.370 8.820 -13.613 1.00 0.00 H new ATOM 0 HG1 THR A 122 -10.469 10.893 -14.887 1.00 0.00 H new ATOM 0 HG21 THR A 122 -12.354 9.447 -14.936 1.00 0.00 H new ATOM 0 HG22 THR A 122 -12.848 8.764 -13.369 1.00 0.00 H new ATOM 0 HG23 THR A 122 -12.901 10.523 -13.629 1.00 0.00 H new ATOM 1896 N LYS A 123 -12.657 9.358 -10.365 1.00 0.00 N ATOM 1897 CA LYS A 123 -13.475 8.472 -9.554 1.00 0.00 C ATOM 1898 C LYS A 123 -14.228 7.502 -10.467 1.00 0.00 C ATOM 1899 O LYS A 123 -15.082 7.917 -11.249 1.00 0.00 O ATOM 1900 CB LYS A 123 -14.388 9.282 -8.631 1.00 0.00 C ATOM 1901 CG LYS A 123 -14.331 8.748 -7.198 1.00 0.00 C ATOM 1902 CD LYS A 123 -15.738 8.519 -6.641 1.00 0.00 C ATOM 1903 CE LYS A 123 -16.319 7.197 -7.149 1.00 0.00 C ATOM 1904 NZ LYS A 123 -17.788 7.300 -7.295 1.00 0.00 N ATOM 0 H LYS A 123 -12.958 10.332 -10.368 1.00 0.00 H new ATOM 0 HA LYS A 123 -12.848 7.870 -8.896 1.00 0.00 H new ATOM 0 HB2 LYS A 123 -14.088 10.330 -8.645 1.00 0.00 H new ATOM 0 HB3 LYS A 123 -15.413 9.239 -8.999 1.00 0.00 H new ATOM 0 HG2 LYS A 123 -13.771 7.813 -7.177 1.00 0.00 H new ATOM 0 HG3 LYS A 123 -13.796 9.455 -6.564 1.00 0.00 H new ATOM 0 HD2 LYS A 123 -15.705 8.511 -5.552 1.00 0.00 H new ATOM 0 HD3 LYS A 123 -16.388 9.343 -6.935 1.00 0.00 H new ATOM 0 HE2 LYS A 123 -15.869 6.940 -8.108 1.00 0.00 H new ATOM 0 HE3 LYS A 123 -16.072 6.394 -6.455 1.00 0.00 H new ATOM 0 HZ1 LYS A 123 -18.167 6.395 -7.640 1.00 0.00 H new ATOM 0 HZ2 LYS A 123 -18.214 7.524 -6.373 1.00 0.00 H new ATOM 0 HZ3 LYS A 123 -18.017 8.053 -7.974 1.00 0.00 H new ATOM 1918 N TYR A 124 -13.884 6.229 -10.336 1.00 0.00 N ATOM 1919 CA TYR A 124 -14.516 5.197 -11.140 1.00 0.00 C ATOM 1920 C TYR A 124 -15.770 4.656 -10.450 1.00 0.00 C ATOM 1921 O TYR A 124 -16.070 5.031 -9.317 1.00 0.00 O ATOM 1922 CB TYR A 124 -13.489 4.070 -11.263 1.00 0.00 C ATOM 1923 CG TYR A 124 -12.784 4.016 -12.619 1.00 0.00 C ATOM 1924 CD1 TYR A 124 -12.035 5.092 -13.050 1.00 0.00 C ATOM 1925 CD2 TYR A 124 -12.895 2.891 -13.410 1.00 0.00 C ATOM 1926 CE1 TYR A 124 -11.371 5.041 -14.327 1.00 0.00 C ATOM 1927 CE2 TYR A 124 -12.231 2.840 -14.687 1.00 0.00 C ATOM 1928 CZ TYR A 124 -11.501 3.917 -15.082 1.00 0.00 C ATOM 1929 OH TYR A 124 -10.874 3.869 -16.288 1.00 0.00 O ATOM 0 H TYR A 124 -13.176 5.889 -9.685 1.00 0.00 H new ATOM 0 HA TYR A 124 -14.817 5.596 -12.109 1.00 0.00 H new ATOM 0 HB2 TYR A 124 -12.740 4.188 -10.480 1.00 0.00 H new ATOM 0 HB3 TYR A 124 -13.988 3.117 -11.086 1.00 0.00 H new ATOM 0 HD1 TYR A 124 -11.947 5.972 -12.430 1.00 0.00 H new ATOM 0 HD2 TYR A 124 -13.480 2.049 -13.072 1.00 0.00 H new ATOM 0 HE1 TYR A 124 -10.783 5.876 -14.677 1.00 0.00 H new ATOM 0 HE2 TYR A 124 -12.311 1.966 -15.317 1.00 0.00 H new ATOM 0 HH TYR A 124 -11.054 3.006 -16.716 1.00 0.00 H new ATOM 1939 N PRO A 125 -16.487 3.761 -11.180 1.00 0.00 N ATOM 1940 CA PRO A 125 -17.702 3.165 -10.650 1.00 0.00 C ATOM 1941 C PRO A 125 -17.377 2.100 -9.600 1.00 0.00 C ATOM 1942 O PRO A 125 -17.201 2.416 -8.425 1.00 0.00 O ATOM 1943 CB PRO A 125 -18.425 2.602 -11.863 1.00 0.00 C ATOM 1944 CG PRO A 125 -17.378 2.491 -12.959 1.00 0.00 C ATOM 1945 CD PRO A 125 -16.162 3.294 -12.525 1.00 0.00 C ATOM 0 HA PRO A 125 -18.331 3.885 -10.127 1.00 0.00 H new ATOM 0 HB2 PRO A 125 -18.862 1.628 -11.640 1.00 0.00 H new ATOM 0 HB3 PRO A 125 -19.242 3.255 -12.168 1.00 0.00 H new ATOM 0 HG2 PRO A 125 -17.108 1.448 -13.124 1.00 0.00 H new ATOM 0 HG3 PRO A 125 -17.770 2.872 -13.902 1.00 0.00 H new ATOM 0 HD2 PRO A 125 -15.262 2.680 -12.524 1.00 0.00 H new ATOM 0 HD3 PRO A 125 -15.977 4.129 -13.200 1.00 0.00 H new ATOM 1953 N LYS A 126 -17.308 0.861 -10.063 1.00 0.00 N ATOM 1954 CA LYS A 126 -17.008 -0.252 -9.178 1.00 0.00 C ATOM 1955 C LYS A 126 -15.498 -0.313 -8.936 1.00 0.00 C ATOM 1956 O LYS A 126 -14.869 -1.344 -9.169 1.00 0.00 O ATOM 1957 CB LYS A 126 -17.594 -1.552 -9.734 1.00 0.00 C ATOM 1958 CG LYS A 126 -19.110 -1.441 -9.903 1.00 0.00 C ATOM 1959 CD LYS A 126 -19.612 -2.394 -10.990 1.00 0.00 C ATOM 1960 CE LYS A 126 -20.601 -1.691 -11.921 1.00 0.00 C ATOM 1961 NZ LYS A 126 -21.217 -2.663 -12.852 1.00 0.00 N ATOM 0 H LYS A 126 -17.455 0.603 -11.039 1.00 0.00 H new ATOM 0 HA LYS A 126 -17.482 -0.105 -8.207 1.00 0.00 H new ATOM 0 HB2 LYS A 126 -17.133 -1.781 -10.695 1.00 0.00 H new ATOM 0 HB3 LYS A 126 -17.359 -2.378 -9.062 1.00 0.00 H new ATOM 0 HG2 LYS A 126 -19.603 -1.670 -8.958 1.00 0.00 H new ATOM 0 HG3 LYS A 126 -19.377 -0.416 -10.161 1.00 0.00 H new ATOM 0 HD2 LYS A 126 -18.767 -2.770 -11.568 1.00 0.00 H new ATOM 0 HD3 LYS A 126 -20.092 -3.257 -10.529 1.00 0.00 H new ATOM 0 HE2 LYS A 126 -21.376 -1.200 -11.333 1.00 0.00 H new ATOM 0 HE3 LYS A 126 -20.088 -0.913 -12.486 1.00 0.00 H new ATOM 0 HZ1 LYS A 126 -21.886 -2.169 -13.477 1.00 0.00 H new ATOM 0 HZ2 LYS A 126 -20.475 -3.113 -13.425 1.00 0.00 H new ATOM 0 HZ3 LYS A 126 -21.724 -3.391 -12.309 1.00 0.00 H new ATOM 1975 N LYS A 127 -14.960 0.806 -8.472 1.00 0.00 N ATOM 1976 CA LYS A 127 -13.536 0.893 -8.196 1.00 0.00 C ATOM 1977 C LYS A 127 -13.329 1.357 -6.753 1.00 0.00 C ATOM 1978 O LYS A 127 -14.265 1.824 -6.106 1.00 0.00 O ATOM 1979 CB LYS A 127 -12.843 1.779 -9.232 1.00 0.00 C ATOM 1980 CG LYS A 127 -12.844 1.114 -10.610 1.00 0.00 C ATOM 1981 CD LYS A 127 -12.104 -0.225 -10.574 1.00 0.00 C ATOM 1982 CE LYS A 127 -11.157 -0.360 -11.768 1.00 0.00 C ATOM 1983 NZ LYS A 127 -11.448 -1.599 -12.523 1.00 0.00 N ATOM 0 H LYS A 127 -15.485 1.659 -8.280 1.00 0.00 H new ATOM 0 HA LYS A 127 -13.069 -0.088 -8.286 1.00 0.00 H new ATOM 0 HB2 LYS A 127 -13.349 2.743 -9.289 1.00 0.00 H new ATOM 0 HB3 LYS A 127 -11.817 1.976 -8.920 1.00 0.00 H new ATOM 0 HG2 LYS A 127 -13.871 0.957 -10.941 1.00 0.00 H new ATOM 0 HG3 LYS A 127 -12.372 1.775 -11.337 1.00 0.00 H new ATOM 0 HD2 LYS A 127 -11.539 -0.307 -9.646 1.00 0.00 H new ATOM 0 HD3 LYS A 127 -12.824 -1.043 -10.582 1.00 0.00 H new ATOM 0 HE2 LYS A 127 -11.262 0.505 -12.423 1.00 0.00 H new ATOM 0 HE3 LYS A 127 -10.124 -0.373 -11.421 1.00 0.00 H new ATOM 0 HZ1 LYS A 127 -10.796 -1.675 -13.330 1.00 0.00 H new ATOM 0 HZ2 LYS A 127 -11.325 -2.422 -11.900 1.00 0.00 H new ATOM 0 HZ3 LYS A 127 -12.428 -1.572 -12.871 1.00 0.00 H new ATOM 1997 N PHE A 128 -12.095 1.213 -6.290 1.00 0.00 N ATOM 1998 CA PHE A 128 -11.753 1.612 -4.935 1.00 0.00 C ATOM 1999 C PHE A 128 -11.030 2.960 -4.927 1.00 0.00 C ATOM 2000 O PHE A 128 -9.831 3.028 -5.194 1.00 0.00 O ATOM 2001 CB PHE A 128 -10.814 0.540 -4.378 1.00 0.00 C ATOM 2002 CG PHE A 128 -11.509 -0.780 -4.036 1.00 0.00 C ATOM 2003 CD1 PHE A 128 -12.296 -0.868 -2.930 1.00 0.00 C ATOM 2004 CD2 PHE A 128 -11.340 -1.865 -4.839 1.00 0.00 C ATOM 2005 CE1 PHE A 128 -12.941 -2.092 -2.614 1.00 0.00 C ATOM 2006 CE2 PHE A 128 -11.986 -3.089 -4.522 1.00 0.00 C ATOM 2007 CZ PHE A 128 -12.772 -3.177 -3.416 1.00 0.00 C ATOM 0 H PHE A 128 -11.320 0.826 -6.829 1.00 0.00 H new ATOM 0 HA PHE A 128 -12.658 1.712 -4.336 1.00 0.00 H new ATOM 0 HB2 PHE A 128 -10.027 0.346 -5.107 1.00 0.00 H new ATOM 0 HB3 PHE A 128 -10.329 0.926 -3.481 1.00 0.00 H new ATOM 0 HD1 PHE A 128 -12.430 -0.007 -2.292 1.00 0.00 H new ATOM 0 HD2 PHE A 128 -10.715 -1.795 -5.717 1.00 0.00 H new ATOM 0 HE1 PHE A 128 -13.566 -2.162 -1.736 1.00 0.00 H new ATOM 0 HE2 PHE A 128 -11.853 -3.950 -5.160 1.00 0.00 H new ATOM 0 HZ PHE A 128 -13.262 -4.109 -3.175 1.00 0.00 H new ATOM 2017 N TYR A 129 -11.790 4.001 -4.618 1.00 0.00 N ATOM 2018 CA TYR A 129 -11.237 5.344 -4.572 1.00 0.00 C ATOM 2019 C TYR A 129 -10.657 5.650 -3.190 1.00 0.00 C ATOM 2020 O TYR A 129 -10.933 4.939 -2.225 1.00 0.00 O ATOM 2021 CB TYR A 129 -12.408 6.291 -4.841 1.00 0.00 C ATOM 2022 CG TYR A 129 -13.629 6.039 -3.956 1.00 0.00 C ATOM 2023 CD1 TYR A 129 -13.601 6.395 -2.622 1.00 0.00 C ATOM 2024 CD2 TYR A 129 -14.760 5.455 -4.490 1.00 0.00 C ATOM 2025 CE1 TYR A 129 -14.750 6.157 -1.789 1.00 0.00 C ATOM 2026 CE2 TYR A 129 -15.910 5.218 -3.656 1.00 0.00 C ATOM 2027 CZ TYR A 129 -15.848 5.581 -2.347 1.00 0.00 C ATOM 2028 OH TYR A 129 -16.934 5.356 -1.559 1.00 0.00 O ATOM 0 H TYR A 129 -12.784 3.941 -4.397 1.00 0.00 H new ATOM 0 HA TYR A 129 -10.434 5.454 -5.301 1.00 0.00 H new ATOM 0 HB2 TYR A 129 -12.072 7.318 -4.695 1.00 0.00 H new ATOM 0 HB3 TYR A 129 -12.704 6.198 -5.886 1.00 0.00 H new ATOM 0 HD1 TYR A 129 -12.716 6.852 -2.204 1.00 0.00 H new ATOM 0 HD2 TYR A 129 -14.783 5.176 -5.533 1.00 0.00 H new ATOM 0 HE1 TYR A 129 -14.740 6.430 -0.744 1.00 0.00 H new ATOM 0 HE2 TYR A 129 -16.801 4.762 -4.061 1.00 0.00 H new ATOM 0 HH TYR A 129 -17.644 4.940 -2.091 1.00 0.00 H new ATOM 2038 N PRO A 130 -9.842 6.737 -3.137 1.00 0.00 N ATOM 2039 CA PRO A 130 -9.220 7.146 -1.889 1.00 0.00 C ATOM 2040 C PRO A 130 -10.236 7.820 -0.965 1.00 0.00 C ATOM 2041 O PRO A 130 -10.950 8.732 -1.380 1.00 0.00 O ATOM 2042 CB PRO A 130 -8.086 8.072 -2.299 1.00 0.00 C ATOM 2043 CG PRO A 130 -8.402 8.514 -3.719 1.00 0.00 C ATOM 2044 CD PRO A 130 -9.492 7.603 -4.259 1.00 0.00 C ATOM 0 HA PRO A 130 -8.840 6.302 -1.313 1.00 0.00 H new ATOM 0 HB2 PRO A 130 -8.020 8.929 -1.629 1.00 0.00 H new ATOM 0 HB3 PRO A 130 -7.126 7.558 -2.254 1.00 0.00 H new ATOM 0 HG2 PRO A 130 -8.732 9.553 -3.731 1.00 0.00 H new ATOM 0 HG3 PRO A 130 -7.511 8.455 -4.344 1.00 0.00 H new ATOM 0 HD2 PRO A 130 -10.354 8.176 -4.600 1.00 0.00 H new ATOM 0 HD3 PRO A 130 -9.137 7.023 -5.111 1.00 0.00 H new ATOM 2052 N LEU A 131 -10.269 7.345 0.272 1.00 0.00 N ATOM 2053 CA LEU A 131 -11.187 7.890 1.258 1.00 0.00 C ATOM 2054 C LEU A 131 -10.592 9.170 1.850 1.00 0.00 C ATOM 2055 O LEU A 131 -11.271 10.191 1.939 1.00 0.00 O ATOM 2056 CB LEU A 131 -11.536 6.833 2.307 1.00 0.00 C ATOM 2057 CG LEU A 131 -11.976 5.471 1.766 1.00 0.00 C ATOM 2058 CD1 LEU A 131 -12.201 4.475 2.905 1.00 0.00 C ATOM 2059 CD2 LEU A 131 -13.211 5.609 0.873 1.00 0.00 C ATOM 0 H LEU A 131 -9.675 6.589 0.614 1.00 0.00 H new ATOM 0 HA LEU A 131 -12.132 8.164 0.788 1.00 0.00 H new ATOM 0 HB2 LEU A 131 -10.666 6.684 2.947 1.00 0.00 H new ATOM 0 HB3 LEU A 131 -12.333 7.226 2.939 1.00 0.00 H new ATOM 0 HG LEU A 131 -11.172 5.074 1.146 1.00 0.00 H new ATOM 0 HD11 LEU A 131 -12.513 3.515 2.493 1.00 0.00 H new ATOM 0 HD12 LEU A 131 -11.274 4.346 3.464 1.00 0.00 H new ATOM 0 HD13 LEU A 131 -12.977 4.853 3.571 1.00 0.00 H new ATOM 0 HD21 LEU A 131 -13.503 4.627 0.502 1.00 0.00 H new ATOM 0 HD22 LEU A 131 -14.031 6.037 1.450 1.00 0.00 H new ATOM 0 HD23 LEU A 131 -12.980 6.261 0.031 1.00 0.00 H new ATOM 2071 N GLU A 132 -9.328 9.072 2.238 1.00 0.00 N ATOM 2072 CA GLU A 132 -8.634 10.209 2.818 1.00 0.00 C ATOM 2073 C GLU A 132 -8.372 11.273 1.750 1.00 0.00 C ATOM 2074 O GLU A 132 -7.456 11.133 0.941 1.00 0.00 O ATOM 2075 CB GLU A 132 -7.330 9.772 3.488 1.00 0.00 C ATOM 2076 CG GLU A 132 -7.092 10.549 4.784 1.00 0.00 C ATOM 2077 CD GLU A 132 -7.009 9.602 5.983 1.00 0.00 C ATOM 2078 OE1 GLU A 132 -5.934 8.984 6.145 1.00 0.00 O ATOM 2079 OE2 GLU A 132 -8.022 9.517 6.710 1.00 0.00 O ATOM 0 H GLU A 132 -8.767 8.223 2.162 1.00 0.00 H new ATOM 0 HA GLU A 132 -9.271 10.644 3.588 1.00 0.00 H new ATOM 0 HB2 GLU A 132 -7.367 8.704 3.702 1.00 0.00 H new ATOM 0 HB3 GLU A 132 -6.495 9.932 2.806 1.00 0.00 H new ATOM 0 HG2 GLU A 132 -6.168 11.122 4.704 1.00 0.00 H new ATOM 0 HG3 GLU A 132 -7.900 11.265 4.937 1.00 0.00 H new