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 114 ASN : amide:sc= 0 X(o=-0.26,f=-0.26) USER MOD Set 1.2: A 118 SER OG : rot 180:sc= -0.261 USER MOD Set 2.1: A 94 MET CE :methyl 163:sc=-0.00682 (180deg=-0.0534) USER MOD Set 2.2: A 103 HIS : no HD1:sc= -10.2! C(o=-10!,f=-9.8!) USER MOD Set 3.1: A 44 SER OG : rot 180:sc= -0.825 USER MOD Set 3.2: A 63 GLN : amide:sc= 0.047 X(o=-0.78,f=-0.87) USER MOD Set 4.1: A 46 THR OG1 : rot 168:sc= -1.08 USER MOD Set 4.2: A 61 LYS NZ :NH3+ 167:sc= 0.562 (180deg=0) USER MOD Set 5.1: A 31 HIS : no HD1:sc= 0.0677 K(o=0.068,f=-2.3!) USER MOD Set 5.2: A 32 SER OG : rot 180:sc= 0 USER MOD Single : A 27 SER OG : rot 84:sc= 0.998 USER MOD Single : A 34 HIS : no HD1:sc= -4.29! C(o=-4.3!,f=-4.9!) USER MOD Single : A 38 LYS NZ :NH3+ 167:sc= 0 (180deg=-0.0987) USER MOD Single : A 41 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 54 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 56 THR OG1 : rot -160:sc= -0.552 USER MOD Single : A 57 ASN : amide:sc= -3.73! C(o=-3.7!,f=-7.7!) 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 -30:sc= -0.99 USER MOD Single : A 73 TYR OH : rot 172:sc= -0.126 USER MOD Single : A 78 SER OG : rot 81:sc= -0.963 USER MOD Single : A 88 SER OG : rot 180:sc= 0 USER MOD Single : A 89 ASN : amide:sc= -2.38! C(o=-2.4!,f=-3.1!) USER MOD Single : A 90 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 93 GLN :FLIP amide:sc= -3.35! C(o=-4.3!,f=-3.4!) USER MOD Single : A 96 SER OG : rot 180:sc= 0 USER MOD Single : A 97 LYS NZ :NH3+ -163:sc= -0.722 (180deg=-0.797) USER MOD Single : A 105 MET CE :methyl -147:sc= -0.136 (180deg=-0.958) 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+ 180:sc= 0 (180deg=0) USER MOD Single : A 112 THR OG1 : rot -94:sc= 1.02 USER MOD Single : A 117 HIS : no HD1:sc= 0 X(o=0,f=0) USER MOD Single : A 119 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 120 ASN : amide:sc= 0 X(o=0,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 4.896 7.093 7.622 1.00 0.00 N ATOM 288 CA ALA A 21 3.592 6.649 8.082 1.00 0.00 C ATOM 289 C ALA A 21 3.772 5.520 9.100 1.00 0.00 C ATOM 290 O ALA A 21 4.854 4.945 9.208 1.00 0.00 O ATOM 291 CB ALA A 21 2.744 6.222 6.882 1.00 0.00 C ATOM 0 HA ALA A 21 3.064 7.462 8.581 1.00 0.00 H new ATOM 0 HB1 ALA A 21 1.766 5.889 7.228 1.00 0.00 H new ATOM 0 HB2 ALA A 21 2.621 7.067 6.204 1.00 0.00 H new ATOM 0 HB3 ALA A 21 3.241 5.406 6.358 1.00 0.00 H new ATOM 297 N ALA A 22 2.696 5.237 9.819 1.00 0.00 N ATOM 298 CA ALA A 22 2.722 4.188 10.824 1.00 0.00 C ATOM 299 C ALA A 22 2.398 2.847 10.162 1.00 0.00 C ATOM 300 O ALA A 22 1.511 2.767 9.313 1.00 0.00 O ATOM 301 CB ALA A 22 1.746 4.534 11.949 1.00 0.00 C ATOM 0 H ALA A 22 1.800 5.716 9.726 1.00 0.00 H new ATOM 0 HA ALA A 22 3.714 4.106 11.268 1.00 0.00 H new ATOM 0 HB1 ALA A 22 1.766 3.747 12.703 1.00 0.00 H new ATOM 0 HB2 ALA A 22 2.037 5.480 12.405 1.00 0.00 H new ATOM 0 HB3 ALA A 22 0.738 4.622 11.542 1.00 0.00 H new ATOM 307 N VAL A 23 3.133 1.825 10.577 1.00 0.00 N ATOM 308 CA VAL A 23 2.935 0.492 10.035 1.00 0.00 C ATOM 309 C VAL A 23 1.957 -0.276 10.928 1.00 0.00 C ATOM 310 O VAL A 23 1.801 0.046 12.104 1.00 0.00 O ATOM 311 CB VAL A 23 4.283 -0.215 9.878 1.00 0.00 C ATOM 312 CG1 VAL A 23 4.092 -1.719 9.671 1.00 0.00 C ATOM 313 CG2 VAL A 23 5.093 0.398 8.735 1.00 0.00 C ATOM 0 H VAL A 23 3.867 1.894 11.282 1.00 0.00 H new ATOM 0 HA VAL A 23 2.494 0.546 9.040 1.00 0.00 H new ATOM 0 HB VAL A 23 4.846 -0.073 10.801 1.00 0.00 H new ATOM 0 HG11 VAL A 23 5.065 -2.198 9.562 1.00 0.00 H new ATOM 0 HG12 VAL A 23 3.574 -2.142 10.532 1.00 0.00 H new ATOM 0 HG13 VAL A 23 3.501 -1.890 8.771 1.00 0.00 H new ATOM 0 HG21 VAL A 23 6.046 -0.123 8.645 1.00 0.00 H new ATOM 0 HG22 VAL A 23 4.537 0.301 7.802 1.00 0.00 H new ATOM 0 HG23 VAL A 23 5.274 1.453 8.942 1.00 0.00 H new ATOM 323 N ASP A 24 1.325 -1.277 10.334 1.00 0.00 N ATOM 324 CA ASP A 24 0.367 -2.093 11.060 1.00 0.00 C ATOM 325 C ASP A 24 1.105 -3.233 11.765 1.00 0.00 C ATOM 326 O ASP A 24 2.126 -3.713 11.274 1.00 0.00 O ATOM 327 CB ASP A 24 -0.661 -2.712 10.111 1.00 0.00 C ATOM 328 CG ASP A 24 -2.122 -2.492 10.508 1.00 0.00 C ATOM 329 OD1 ASP A 24 -2.511 -1.308 10.608 1.00 0.00 O ATOM 330 OD2 ASP A 24 -2.818 -3.512 10.702 1.00 0.00 O ATOM 0 H ASP A 24 1.458 -1.542 9.358 1.00 0.00 H new ATOM 0 HA ASP A 24 -0.145 -1.452 11.778 1.00 0.00 H new ATOM 0 HB2 ASP A 24 -0.506 -2.302 9.113 1.00 0.00 H new ATOM 0 HB3 ASP A 24 -0.475 -3.784 10.047 1.00 0.00 H new ATOM 335 N PRO A 25 0.546 -3.644 12.934 1.00 0.00 N ATOM 336 CA PRO A 25 1.140 -4.719 13.711 1.00 0.00 C ATOM 337 C PRO A 25 0.869 -6.078 13.064 1.00 0.00 C ATOM 338 O PRO A 25 1.548 -7.059 13.364 1.00 0.00 O ATOM 339 CB PRO A 25 0.528 -4.588 15.096 1.00 0.00 C ATOM 340 CG PRO A 25 -0.725 -3.745 14.920 1.00 0.00 C ATOM 341 CD PRO A 25 -0.663 -3.099 13.545 1.00 0.00 C ATOM 0 HA PRO A 25 2.227 -4.650 13.762 1.00 0.00 H new ATOM 0 HB2 PRO A 25 0.285 -5.567 15.510 1.00 0.00 H new ATOM 0 HB3 PRO A 25 1.224 -4.113 15.787 1.00 0.00 H new ATOM 0 HG2 PRO A 25 -1.617 -4.364 15.011 1.00 0.00 H new ATOM 0 HG3 PRO A 25 -0.785 -2.983 15.697 1.00 0.00 H new ATOM 0 HD2 PRO A 25 -1.548 -3.338 12.955 1.00 0.00 H new ATOM 0 HD3 PRO A 25 -0.614 -2.013 13.620 1.00 0.00 H new ATOM 349 N ASP A 26 -0.124 -6.093 12.187 1.00 0.00 N ATOM 350 CA ASP A 26 -0.493 -7.316 11.495 1.00 0.00 C ATOM 351 C ASP A 26 0.611 -7.689 10.504 1.00 0.00 C ATOM 352 O ASP A 26 0.766 -8.857 10.151 1.00 0.00 O ATOM 353 CB ASP A 26 -1.793 -7.133 10.708 1.00 0.00 C ATOM 354 CG ASP A 26 -3.031 -7.763 11.349 1.00 0.00 C ATOM 355 OD1 ASP A 26 -2.988 -8.992 11.578 1.00 0.00 O ATOM 356 OD2 ASP A 26 -3.992 -7.003 11.596 1.00 0.00 O ATOM 0 H ASP A 26 -0.684 -5.277 11.940 1.00 0.00 H new ATOM 0 HA ASP A 26 -0.631 -8.098 12.242 1.00 0.00 H new ATOM 0 HB2 ASP A 26 -1.973 -6.066 10.577 1.00 0.00 H new ATOM 0 HB3 ASP A 26 -1.661 -7.559 9.713 1.00 0.00 H new ATOM 361 N SER A 27 1.351 -6.674 10.081 1.00 0.00 N ATOM 362 CA SER A 27 2.436 -6.880 9.138 1.00 0.00 C ATOM 363 C SER A 27 3.642 -7.492 9.853 1.00 0.00 C ATOM 364 O SER A 27 4.408 -8.245 9.252 1.00 0.00 O ATOM 365 CB SER A 27 2.832 -5.568 8.458 1.00 0.00 C ATOM 366 OG SER A 27 2.127 -4.453 8.997 1.00 0.00 O ATOM 0 H SER A 27 1.220 -5.706 10.375 1.00 0.00 H new ATOM 0 HA SER A 27 2.091 -7.568 8.366 1.00 0.00 H new ATOM 0 HB2 SER A 27 3.904 -5.409 8.573 1.00 0.00 H new ATOM 0 HB3 SER A 27 2.634 -5.640 7.389 1.00 0.00 H new ATOM 0 HG SER A 27 2.582 -4.138 9.806 1.00 0.00 H new ATOM 372 N GLY A 28 3.773 -7.147 11.125 1.00 0.00 N ATOM 373 CA GLY A 28 4.873 -7.653 11.928 1.00 0.00 C ATOM 374 C GLY A 28 6.104 -6.753 11.801 1.00 0.00 C ATOM 375 O GLY A 28 6.995 -6.790 12.649 1.00 0.00 O ATOM 0 H GLY A 28 3.136 -6.523 11.620 1.00 0.00 H new ATOM 0 HA2 GLY A 28 4.568 -7.713 12.973 1.00 0.00 H new ATOM 0 HA3 GLY A 28 5.124 -8.665 11.611 1.00 0.00 H new ATOM 379 N LEU A 29 6.115 -5.966 10.736 1.00 0.00 N ATOM 380 CA LEU A 29 7.222 -5.058 10.487 1.00 0.00 C ATOM 381 C LEU A 29 6.907 -3.695 11.107 1.00 0.00 C ATOM 382 O LEU A 29 7.555 -2.700 10.787 1.00 0.00 O ATOM 383 CB LEU A 29 7.538 -4.996 8.992 1.00 0.00 C ATOM 384 CG LEU A 29 7.582 -6.338 8.259 1.00 0.00 C ATOM 385 CD1 LEU A 29 7.841 -7.488 9.235 1.00 0.00 C ATOM 386 CD2 LEU A 29 6.309 -6.558 7.439 1.00 0.00 C ATOM 0 H LEU A 29 5.375 -5.938 10.035 1.00 0.00 H new ATOM 0 HA LEU A 29 8.130 -5.424 10.966 1.00 0.00 H new ATOM 0 HB2 LEU A 29 6.792 -4.365 8.509 1.00 0.00 H new ATOM 0 HB3 LEU A 29 8.502 -4.503 8.865 1.00 0.00 H new ATOM 0 HG LEU A 29 8.416 -6.316 7.558 1.00 0.00 H new ATOM 0 HD11 LEU A 29 7.867 -8.430 8.688 1.00 0.00 H new ATOM 0 HD12 LEU A 29 8.797 -7.332 9.736 1.00 0.00 H new ATOM 0 HD13 LEU A 29 7.044 -7.522 9.977 1.00 0.00 H new ATOM 0 HD21 LEU A 29 6.367 -7.519 6.928 1.00 0.00 H new ATOM 0 HD22 LEU A 29 5.444 -6.551 8.102 1.00 0.00 H new ATOM 0 HD23 LEU A 29 6.209 -5.761 6.702 1.00 0.00 H new ATOM 398 N GLU A 30 5.912 -3.694 11.982 1.00 0.00 N ATOM 399 CA GLU A 30 5.503 -2.469 12.648 1.00 0.00 C ATOM 400 C GLU A 30 6.659 -1.905 13.477 1.00 0.00 C ATOM 401 O GLU A 30 6.765 -0.693 13.657 1.00 0.00 O ATOM 402 CB GLU A 30 4.268 -2.705 13.519 1.00 0.00 C ATOM 403 CG GLU A 30 4.473 -3.903 14.449 1.00 0.00 C ATOM 404 CD GLU A 30 3.734 -3.703 15.773 1.00 0.00 C ATOM 405 OE1 GLU A 30 3.056 -2.659 15.892 1.00 0.00 O ATOM 406 OE2 GLU A 30 3.865 -4.597 16.637 1.00 0.00 O ATOM 0 H GLU A 30 5.377 -4.522 12.245 1.00 0.00 H new ATOM 0 HA GLU A 30 5.235 -1.736 11.887 1.00 0.00 H new ATOM 0 HB2 GLU A 30 4.060 -1.813 14.110 1.00 0.00 H new ATOM 0 HB3 GLU A 30 3.399 -2.877 12.884 1.00 0.00 H new ATOM 0 HG2 GLU A 30 4.116 -4.811 13.963 1.00 0.00 H new ATOM 0 HG3 GLU A 30 5.537 -4.042 14.640 1.00 0.00 H new ATOM 413 N HIS A 31 7.496 -2.812 13.960 1.00 0.00 N ATOM 414 CA HIS A 31 8.640 -2.420 14.766 1.00 0.00 C ATOM 415 C HIS A 31 9.932 -2.843 14.064 1.00 0.00 C ATOM 416 O HIS A 31 11.018 -2.721 14.628 1.00 0.00 O ATOM 417 CB HIS A 31 8.524 -2.982 16.184 1.00 0.00 C ATOM 418 CG HIS A 31 8.091 -4.428 16.238 1.00 0.00 C ATOM 419 ND1 HIS A 31 8.299 -5.312 15.194 1.00 0.00 N ATOM 420 CD2 HIS A 31 7.460 -5.133 17.220 1.00 0.00 C ATOM 421 CE1 HIS A 31 7.810 -6.493 15.542 1.00 0.00 C ATOM 422 NE2 HIS A 31 7.291 -6.380 16.799 1.00 0.00 N ATOM 0 H HIS A 31 7.405 -3.817 13.809 1.00 0.00 H new ATOM 0 HA HIS A 31 8.662 -1.335 14.869 1.00 0.00 H new ATOM 0 HB2 HIS A 31 9.488 -2.883 16.683 1.00 0.00 H new ATOM 0 HB3 HIS A 31 7.811 -2.379 16.746 1.00 0.00 H new ATOM 0 HD2 HIS A 31 7.150 -4.743 18.178 1.00 0.00 H new ATOM 0 HE1 HIS A 31 7.820 -7.388 14.937 1.00 0.00 H new ATOM 0 HE2 HIS A 31 6.846 -7.130 17.328 1.00 0.00 H new ATOM 430 N SER A 32 9.771 -3.332 12.843 1.00 0.00 N ATOM 431 CA SER A 32 10.911 -3.774 12.058 1.00 0.00 C ATOM 432 C SER A 32 11.088 -2.869 10.837 1.00 0.00 C ATOM 433 O SER A 32 12.157 -2.296 10.635 1.00 0.00 O ATOM 434 CB SER A 32 10.746 -5.231 11.619 1.00 0.00 C ATOM 435 OG SER A 32 10.170 -6.035 12.645 1.00 0.00 O ATOM 0 H SER A 32 8.869 -3.432 12.378 1.00 0.00 H new ATOM 0 HA SER A 32 11.802 -3.709 12.683 1.00 0.00 H new ATOM 0 HB2 SER A 32 10.117 -5.273 10.730 1.00 0.00 H new ATOM 0 HB3 SER A 32 11.718 -5.639 11.342 1.00 0.00 H new ATOM 0 HG SER A 32 10.079 -6.957 12.326 1.00 0.00 H new ATOM 441 N ALA A 33 10.023 -2.769 10.055 1.00 0.00 N ATOM 442 CA ALA A 33 10.047 -1.943 8.860 1.00 0.00 C ATOM 443 C ALA A 33 9.162 -0.714 9.076 1.00 0.00 C ATOM 444 O ALA A 33 8.627 -0.514 10.165 1.00 0.00 O ATOM 445 CB ALA A 33 9.605 -2.776 7.655 1.00 0.00 C ATOM 0 H ALA A 33 9.138 -3.246 10.226 1.00 0.00 H new ATOM 0 HA ALA A 33 11.058 -1.589 8.658 1.00 0.00 H new ATOM 0 HB1 ALA A 33 9.623 -2.157 6.758 1.00 0.00 H new ATOM 0 HB2 ALA A 33 10.284 -3.619 7.527 1.00 0.00 H new ATOM 0 HB3 ALA A 33 8.593 -3.146 7.820 1.00 0.00 H new ATOM 451 N HIS A 34 9.035 0.077 8.021 1.00 0.00 N ATOM 452 CA HIS A 34 8.224 1.281 8.081 1.00 0.00 C ATOM 453 C HIS A 34 7.645 1.580 6.697 1.00 0.00 C ATOM 454 O HIS A 34 8.161 1.101 5.688 1.00 0.00 O ATOM 455 CB HIS A 34 9.028 2.450 8.653 1.00 0.00 C ATOM 456 CG HIS A 34 10.171 2.897 7.774 1.00 0.00 C ATOM 457 ND1 HIS A 34 11.431 3.184 8.270 1.00 0.00 N ATOM 458 CD2 HIS A 34 10.233 3.101 6.426 1.00 0.00 C ATOM 459 CE1 HIS A 34 12.207 3.546 7.258 1.00 0.00 C ATOM 460 NE2 HIS A 34 11.462 3.494 6.117 1.00 0.00 N ATOM 0 H HIS A 34 9.480 -0.092 7.119 1.00 0.00 H new ATOM 0 HA HIS A 34 7.386 1.125 8.761 1.00 0.00 H new ATOM 0 HB2 HIS A 34 8.357 3.294 8.816 1.00 0.00 H new ATOM 0 HB3 HIS A 34 9.423 2.164 9.628 1.00 0.00 H new ATOM 0 HD2 HIS A 34 9.419 2.965 5.729 1.00 0.00 H new ATOM 0 HE1 HIS A 34 13.246 3.832 7.325 1.00 0.00 H new ATOM 0 HE2 HIS A 34 11.795 3.720 5.180 1.00 0.00 H new ATOM 468 N VAL A 35 6.582 2.370 6.693 1.00 0.00 N ATOM 469 CA VAL A 35 5.928 2.739 5.449 1.00 0.00 C ATOM 470 C VAL A 35 6.964 3.322 4.486 1.00 0.00 C ATOM 471 O VAL A 35 7.781 4.154 4.877 1.00 0.00 O ATOM 472 CB VAL A 35 4.768 3.697 5.732 1.00 0.00 C ATOM 473 CG1 VAL A 35 4.041 4.074 4.439 1.00 0.00 C ATOM 474 CG2 VAL A 35 3.798 3.098 6.752 1.00 0.00 C ATOM 0 H VAL A 35 6.157 2.765 7.532 1.00 0.00 H new ATOM 0 HA VAL A 35 5.497 1.861 4.969 1.00 0.00 H new ATOM 0 HB VAL A 35 5.183 4.609 6.161 1.00 0.00 H new ATOM 0 HG11 VAL A 35 3.221 4.755 4.668 1.00 0.00 H new ATOM 0 HG12 VAL A 35 4.739 4.561 3.758 1.00 0.00 H new ATOM 0 HG13 VAL A 35 3.644 3.174 3.969 1.00 0.00 H new ATOM 0 HG21 VAL A 35 2.984 3.799 6.935 1.00 0.00 H new ATOM 0 HG22 VAL A 35 3.392 2.164 6.363 1.00 0.00 H new ATOM 0 HG23 VAL A 35 4.326 2.904 7.686 1.00 0.00 H new ATOM 484 N LEU A 36 6.897 2.862 3.246 1.00 0.00 N ATOM 485 CA LEU A 36 7.819 3.327 2.224 1.00 0.00 C ATOM 486 C LEU A 36 7.546 4.804 1.931 1.00 0.00 C ATOM 487 O LEU A 36 6.439 5.290 2.156 1.00 0.00 O ATOM 488 CB LEU A 36 7.745 2.430 0.986 1.00 0.00 C ATOM 489 CG LEU A 36 8.454 2.953 -0.264 1.00 0.00 C ATOM 490 CD1 LEU A 36 9.950 3.147 -0.005 1.00 0.00 C ATOM 491 CD2 LEU A 36 8.194 2.040 -1.464 1.00 0.00 C ATOM 0 H LEU A 36 6.218 2.172 2.925 1.00 0.00 H new ATOM 0 HA LEU A 36 8.847 3.257 2.578 1.00 0.00 H new ATOM 0 HB2 LEU A 36 8.168 1.458 1.240 1.00 0.00 H new ATOM 0 HB3 LEU A 36 6.695 2.266 0.742 1.00 0.00 H new ATOM 0 HG LEU A 36 8.040 3.931 -0.508 1.00 0.00 H new ATOM 0 HD11 LEU A 36 10.431 3.519 -0.910 1.00 0.00 H new ATOM 0 HD12 LEU A 36 10.089 3.866 0.802 1.00 0.00 H new ATOM 0 HD13 LEU A 36 10.397 2.194 0.277 1.00 0.00 H new ATOM 0 HD21 LEU A 36 8.709 2.434 -2.340 1.00 0.00 H new ATOM 0 HD22 LEU A 36 8.564 1.038 -1.246 1.00 0.00 H new ATOM 0 HD23 LEU A 36 7.123 1.996 -1.662 1.00 0.00 H new ATOM 503 N GLU A 37 8.573 5.475 1.432 1.00 0.00 N ATOM 504 CA GLU A 37 8.458 6.886 1.105 1.00 0.00 C ATOM 505 C GLU A 37 9.275 7.210 -0.147 1.00 0.00 C ATOM 506 O GLU A 37 10.432 6.808 -0.258 1.00 0.00 O ATOM 507 CB GLU A 37 8.892 7.759 2.284 1.00 0.00 C ATOM 508 CG GLU A 37 7.693 8.139 3.156 1.00 0.00 C ATOM 509 CD GLU A 37 8.108 8.300 4.620 1.00 0.00 C ATOM 510 OE1 GLU A 37 8.871 7.430 5.092 1.00 0.00 O ATOM 511 OE2 GLU A 37 7.654 9.290 5.233 1.00 0.00 O ATOM 0 H GLU A 37 9.489 5.068 1.246 1.00 0.00 H new ATOM 0 HA GLU A 37 7.411 7.106 0.898 1.00 0.00 H new ATOM 0 HB2 GLU A 37 9.628 7.225 2.885 1.00 0.00 H new ATOM 0 HB3 GLU A 37 9.377 8.662 1.913 1.00 0.00 H new ATOM 0 HG2 GLU A 37 7.256 9.070 2.794 1.00 0.00 H new ATOM 0 HG3 GLU A 37 6.923 7.372 3.075 1.00 0.00 H new ATOM 518 N LYS A 38 8.641 7.933 -1.058 1.00 0.00 N ATOM 519 CA LYS A 38 9.295 8.316 -2.298 1.00 0.00 C ATOM 520 C LYS A 38 8.754 9.671 -2.758 1.00 0.00 C ATOM 521 O LYS A 38 7.615 10.023 -2.456 1.00 0.00 O ATOM 522 CB LYS A 38 9.151 7.208 -3.343 1.00 0.00 C ATOM 523 CG LYS A 38 10.071 7.460 -4.540 1.00 0.00 C ATOM 524 CD LYS A 38 10.439 6.147 -5.235 1.00 0.00 C ATOM 525 CE LYS A 38 10.913 6.400 -6.667 1.00 0.00 C ATOM 526 NZ LYS A 38 12.090 7.297 -6.673 1.00 0.00 N ATOM 0 H LYS A 38 7.681 8.264 -0.962 1.00 0.00 H new ATOM 0 HA LYS A 38 10.367 8.438 -2.142 1.00 0.00 H new ATOM 0 HB2 LYS A 38 9.390 6.245 -2.892 1.00 0.00 H new ATOM 0 HB3 LYS A 38 8.116 7.154 -3.680 1.00 0.00 H new ATOM 0 HG2 LYS A 38 9.577 8.125 -5.249 1.00 0.00 H new ATOM 0 HG3 LYS A 38 10.977 7.966 -4.207 1.00 0.00 H new ATOM 0 HD2 LYS A 38 11.223 5.641 -4.672 1.00 0.00 H new ATOM 0 HD3 LYS A 38 9.575 5.482 -5.246 1.00 0.00 H new ATOM 0 HE2 LYS A 38 11.167 5.454 -7.145 1.00 0.00 H new ATOM 0 HE3 LYS A 38 10.107 6.845 -7.250 1.00 0.00 H new ATOM 0 HZ1 LYS A 38 12.531 7.284 -7.615 1.00 0.00 H new ATOM 0 HZ2 LYS A 38 11.789 8.266 -6.445 1.00 0.00 H new ATOM 0 HZ3 LYS A 38 12.778 6.972 -5.964 1.00 0.00 H new ATOM 540 N GLY A 39 9.596 10.393 -3.483 1.00 0.00 N ATOM 541 CA GLY A 39 9.216 11.701 -3.988 1.00 0.00 C ATOM 542 C GLY A 39 8.446 12.495 -2.931 1.00 0.00 C ATOM 543 O GLY A 39 7.394 13.064 -3.220 1.00 0.00 O ATOM 0 H GLY A 39 10.540 10.097 -3.733 1.00 0.00 H new ATOM 0 HA2 GLY A 39 10.108 12.253 -4.285 1.00 0.00 H new ATOM 0 HA3 GLY A 39 8.601 11.585 -4.881 1.00 0.00 H new ATOM 547 N GLY A 40 8.999 12.507 -1.727 1.00 0.00 N ATOM 548 CA GLY A 40 8.377 13.222 -0.625 1.00 0.00 C ATOM 549 C GLY A 40 6.910 12.816 -0.467 1.00 0.00 C ATOM 550 O GLY A 40 6.052 13.661 -0.218 1.00 0.00 O ATOM 0 H GLY A 40 9.871 12.033 -1.490 1.00 0.00 H new ATOM 0 HA2 GLY A 40 8.917 13.015 0.299 1.00 0.00 H new ATOM 0 HA3 GLY A 40 8.444 14.296 -0.799 1.00 0.00 H new ATOM 554 N LYS A 41 6.668 11.522 -0.617 1.00 0.00 N ATOM 555 CA LYS A 41 5.320 10.994 -0.494 1.00 0.00 C ATOM 556 C LYS A 41 5.347 9.733 0.372 1.00 0.00 C ATOM 557 O LYS A 41 6.417 9.203 0.668 1.00 0.00 O ATOM 558 CB LYS A 41 4.701 10.777 -1.877 1.00 0.00 C ATOM 559 CG LYS A 41 3.977 12.036 -2.357 1.00 0.00 C ATOM 560 CD LYS A 41 2.507 12.019 -1.933 1.00 0.00 C ATOM 561 CE LYS A 41 1.621 11.458 -3.047 1.00 0.00 C ATOM 562 NZ LYS A 41 0.361 12.229 -3.145 1.00 0.00 N ATOM 0 H LYS A 41 7.383 10.824 -0.823 1.00 0.00 H new ATOM 0 HA LYS A 41 4.674 11.713 0.010 1.00 0.00 H new ATOM 0 HB2 LYS A 41 5.480 10.507 -2.590 1.00 0.00 H new ATOM 0 HB3 LYS A 41 4.001 9.943 -1.839 1.00 0.00 H new ATOM 0 HG2 LYS A 41 4.467 12.920 -1.948 1.00 0.00 H new ATOM 0 HG3 LYS A 41 4.045 12.107 -3.443 1.00 0.00 H new ATOM 0 HD2 LYS A 41 2.392 11.415 -1.033 1.00 0.00 H new ATOM 0 HD3 LYS A 41 2.186 13.030 -1.682 1.00 0.00 H new ATOM 0 HE2 LYS A 41 2.153 11.497 -3.997 1.00 0.00 H new ATOM 0 HE3 LYS A 41 1.398 10.409 -2.849 1.00 0.00 H new ATOM 0 HZ1 LYS A 41 -0.229 11.835 -3.906 1.00 0.00 H new ATOM 0 HZ2 LYS A 41 -0.153 12.170 -2.243 1.00 0.00 H new ATOM 0 HZ3 LYS A 41 0.578 13.224 -3.355 1.00 0.00 H new ATOM 576 N VAL A 42 4.159 9.291 0.755 1.00 0.00 N ATOM 577 CA VAL A 42 4.034 8.102 1.582 1.00 0.00 C ATOM 578 C VAL A 42 3.231 7.042 0.825 1.00 0.00 C ATOM 579 O VAL A 42 2.213 7.353 0.208 1.00 0.00 O ATOM 580 CB VAL A 42 3.416 8.468 2.933 1.00 0.00 C ATOM 581 CG1 VAL A 42 2.946 7.216 3.677 1.00 0.00 C ATOM 582 CG2 VAL A 42 4.399 9.275 3.784 1.00 0.00 C ATOM 0 H VAL A 42 3.274 9.734 0.508 1.00 0.00 H new ATOM 0 HA VAL A 42 5.016 7.678 1.792 1.00 0.00 H new ATOM 0 HB VAL A 42 2.543 9.094 2.745 1.00 0.00 H new ATOM 0 HG11 VAL A 42 2.511 7.503 4.634 1.00 0.00 H new ATOM 0 HG12 VAL A 42 2.197 6.697 3.079 1.00 0.00 H new ATOM 0 HG13 VAL A 42 3.795 6.555 3.849 1.00 0.00 H new ATOM 0 HG21 VAL A 42 3.935 9.523 4.739 1.00 0.00 H new ATOM 0 HG22 VAL A 42 5.298 8.685 3.959 1.00 0.00 H new ATOM 0 HG23 VAL A 42 4.664 10.194 3.261 1.00 0.00 H new ATOM 592 N PHE A 43 3.719 5.813 0.898 1.00 0.00 N ATOM 593 CA PHE A 43 3.059 4.705 0.228 1.00 0.00 C ATOM 594 C PHE A 43 1.942 4.124 1.097 1.00 0.00 C ATOM 595 O PHE A 43 1.978 2.948 1.456 1.00 0.00 O ATOM 596 CB PHE A 43 4.120 3.628 -0.006 1.00 0.00 C ATOM 597 CG PHE A 43 5.109 3.959 -1.126 1.00 0.00 C ATOM 598 CD1 PHE A 43 5.850 5.098 -1.063 1.00 0.00 C ATOM 599 CD2 PHE A 43 5.245 3.116 -2.184 1.00 0.00 C ATOM 600 CE1 PHE A 43 6.767 5.406 -2.103 1.00 0.00 C ATOM 601 CE2 PHE A 43 6.162 3.424 -3.223 1.00 0.00 C ATOM 602 CZ PHE A 43 6.904 4.562 -3.161 1.00 0.00 C ATOM 0 H PHE A 43 4.564 5.560 1.411 1.00 0.00 H new ATOM 0 HA PHE A 43 2.614 5.048 -0.706 1.00 0.00 H new ATOM 0 HB2 PHE A 43 4.674 3.472 0.919 1.00 0.00 H new ATOM 0 HB3 PHE A 43 3.622 2.687 -0.242 1.00 0.00 H new ATOM 0 HD1 PHE A 43 5.741 5.768 -0.223 1.00 0.00 H new ATOM 0 HD2 PHE A 43 4.656 2.212 -2.234 1.00 0.00 H new ATOM 0 HE1 PHE A 43 7.355 6.310 -2.054 1.00 0.00 H new ATOM 0 HE2 PHE A 43 6.270 2.754 -4.063 1.00 0.00 H new ATOM 0 HZ PHE A 43 7.602 4.796 -3.952 1.00 0.00 H new ATOM 612 N SER A 44 0.977 4.976 1.411 1.00 0.00 N ATOM 613 CA SER A 44 -0.148 4.562 2.231 1.00 0.00 C ATOM 614 C SER A 44 -1.449 5.131 1.662 1.00 0.00 C ATOM 615 O SER A 44 -1.796 6.281 1.927 1.00 0.00 O ATOM 616 CB SER A 44 0.035 5.008 3.683 1.00 0.00 C ATOM 617 OG SER A 44 0.034 3.904 4.585 1.00 0.00 O ATOM 0 H SER A 44 0.951 5.951 1.112 1.00 0.00 H new ATOM 0 HA SER A 44 -0.198 3.473 2.217 1.00 0.00 H new ATOM 0 HB2 SER A 44 0.974 5.554 3.779 1.00 0.00 H new ATOM 0 HB3 SER A 44 -0.764 5.698 3.954 1.00 0.00 H new ATOM 0 HG SER A 44 0.155 4.230 5.501 1.00 0.00 H new ATOM 623 N ALA A 45 -2.134 4.300 0.890 1.00 0.00 N ATOM 624 CA ALA A 45 -3.388 4.707 0.280 1.00 0.00 C ATOM 625 C ALA A 45 -4.526 3.857 0.850 1.00 0.00 C ATOM 626 O ALA A 45 -4.389 2.643 0.989 1.00 0.00 O ATOM 627 CB ALA A 45 -3.279 4.589 -1.241 1.00 0.00 C ATOM 0 H ALA A 45 -1.844 3.346 0.673 1.00 0.00 H new ATOM 0 HA ALA A 45 -3.606 5.750 0.511 1.00 0.00 H new ATOM 0 HB1 ALA A 45 -4.220 4.895 -1.698 1.00 0.00 H new ATOM 0 HB2 ALA A 45 -2.476 5.233 -1.599 1.00 0.00 H new ATOM 0 HB3 ALA A 45 -3.063 3.555 -1.511 1.00 0.00 H new ATOM 633 N THR A 46 -5.623 4.529 1.165 1.00 0.00 N ATOM 634 CA THR A 46 -6.784 3.852 1.717 1.00 0.00 C ATOM 635 C THR A 46 -7.962 3.933 0.744 1.00 0.00 C ATOM 636 O THR A 46 -8.537 5.002 0.547 1.00 0.00 O ATOM 637 CB THR A 46 -7.084 4.465 3.086 1.00 0.00 C ATOM 638 OG1 THR A 46 -5.970 4.083 3.889 1.00 0.00 O ATOM 639 CG2 THR A 46 -8.282 3.808 3.773 1.00 0.00 C ATOM 0 H THR A 46 -5.733 5.536 1.048 1.00 0.00 H new ATOM 0 HA THR A 46 -6.591 2.788 1.857 1.00 0.00 H new ATOM 0 HB THR A 46 -7.273 5.532 2.972 1.00 0.00 H new ATOM 0 HG1 THR A 46 -5.981 4.591 4.727 1.00 0.00 H new ATOM 0 HG21 THR A 46 -8.451 4.281 4.740 1.00 0.00 H new ATOM 0 HG22 THR A 46 -9.169 3.928 3.151 1.00 0.00 H new ATOM 0 HG23 THR A 46 -8.081 2.747 3.918 1.00 0.00 H new ATOM 647 N LEU A 47 -8.286 2.788 0.161 1.00 0.00 N ATOM 648 CA LEU A 47 -9.385 2.716 -0.787 1.00 0.00 C ATOM 649 C LEU A 47 -10.671 2.352 -0.044 1.00 0.00 C ATOM 650 O LEU A 47 -10.623 1.773 1.041 1.00 0.00 O ATOM 651 CB LEU A 47 -9.044 1.759 -1.931 1.00 0.00 C ATOM 652 CG LEU A 47 -8.686 2.411 -3.268 1.00 0.00 C ATOM 653 CD1 LEU A 47 -7.853 3.677 -3.054 1.00 0.00 C ATOM 654 CD2 LEU A 47 -7.987 1.415 -4.195 1.00 0.00 C ATOM 0 H LEU A 47 -7.807 1.903 0.327 1.00 0.00 H new ATOM 0 HA LEU A 47 -9.550 3.687 -1.253 1.00 0.00 H new ATOM 0 HB2 LEU A 47 -8.207 1.135 -1.618 1.00 0.00 H new ATOM 0 HB3 LEU A 47 -9.895 1.096 -2.089 1.00 0.00 H new ATOM 0 HG LEU A 47 -9.611 2.713 -3.760 1.00 0.00 H new ATOM 0 HD11 LEU A 47 -7.612 4.121 -4.020 1.00 0.00 H new ATOM 0 HD12 LEU A 47 -8.422 4.391 -2.458 1.00 0.00 H new ATOM 0 HD13 LEU A 47 -6.931 3.422 -2.531 1.00 0.00 H new ATOM 0 HD21 LEU A 47 -7.744 1.905 -5.138 1.00 0.00 H new ATOM 0 HD22 LEU A 47 -7.071 1.060 -3.723 1.00 0.00 H new ATOM 0 HD23 LEU A 47 -8.648 0.569 -4.385 1.00 0.00 H new ATOM 666 N GLY A 48 -11.792 2.706 -0.656 1.00 0.00 N ATOM 667 CA GLY A 48 -13.089 2.424 -0.065 1.00 0.00 C ATOM 668 C GLY A 48 -14.181 2.383 -1.135 1.00 0.00 C ATOM 669 O GLY A 48 -14.250 3.264 -1.991 1.00 0.00 O ATOM 0 H GLY A 48 -11.829 3.186 -1.555 1.00 0.00 H new ATOM 0 HA2 GLY A 48 -13.054 1.470 0.460 1.00 0.00 H new ATOM 0 HA3 GLY A 48 -13.329 3.187 0.676 1.00 0.00 H new ATOM 673 N LEU A 49 -15.009 1.351 -1.052 1.00 0.00 N ATOM 674 CA LEU A 49 -16.095 1.184 -2.003 1.00 0.00 C ATOM 675 C LEU A 49 -17.331 0.659 -1.270 1.00 0.00 C ATOM 676 O LEU A 49 -17.225 -0.217 -0.413 1.00 0.00 O ATOM 677 CB LEU A 49 -15.652 0.302 -3.172 1.00 0.00 C ATOM 678 CG LEU A 49 -16.628 0.206 -4.346 1.00 0.00 C ATOM 679 CD1 LEU A 49 -16.198 1.122 -5.493 1.00 0.00 C ATOM 680 CD2 LEU A 49 -16.795 -1.245 -4.803 1.00 0.00 C ATOM 0 H LEU A 49 -14.949 0.622 -0.341 1.00 0.00 H new ATOM 0 HA LEU A 49 -16.368 2.143 -2.443 1.00 0.00 H new ATOM 0 HB2 LEU A 49 -14.700 0.680 -3.546 1.00 0.00 H new ATOM 0 HB3 LEU A 49 -15.469 -0.704 -2.794 1.00 0.00 H new ATOM 0 HG LEU A 49 -17.605 0.551 -4.007 1.00 0.00 H new ATOM 0 HD11 LEU A 49 -16.909 1.034 -6.315 1.00 0.00 H new ATOM 0 HD12 LEU A 49 -16.172 2.154 -5.144 1.00 0.00 H new ATOM 0 HD13 LEU A 49 -15.206 0.831 -5.839 1.00 0.00 H new ATOM 0 HD21 LEU A 49 -17.494 -1.285 -5.639 1.00 0.00 H new ATOM 0 HD22 LEU A 49 -15.829 -1.641 -5.118 1.00 0.00 H new ATOM 0 HD23 LEU A 49 -17.181 -1.844 -3.978 1.00 0.00 H new ATOM 692 N VAL A 50 -18.476 1.217 -1.635 1.00 0.00 N ATOM 693 CA VAL A 50 -19.732 0.816 -1.024 1.00 0.00 C ATOM 694 C VAL A 50 -20.846 0.872 -2.071 1.00 0.00 C ATOM 695 O VAL A 50 -21.045 1.900 -2.716 1.00 0.00 O ATOM 696 CB VAL A 50 -20.019 1.687 0.201 1.00 0.00 C ATOM 697 CG1 VAL A 50 -19.206 2.982 0.156 1.00 0.00 C ATOM 698 CG2 VAL A 50 -21.515 1.984 0.324 1.00 0.00 C ATOM 0 H VAL A 50 -18.560 1.943 -2.346 1.00 0.00 H new ATOM 0 HA VAL A 50 -19.672 -0.213 -0.669 1.00 0.00 H new ATOM 0 HB VAL A 50 -19.713 1.130 1.087 1.00 0.00 H new ATOM 0 HG11 VAL A 50 -19.429 3.582 1.038 1.00 0.00 H new ATOM 0 HG12 VAL A 50 -18.143 2.744 0.139 1.00 0.00 H new ATOM 0 HG13 VAL A 50 -19.466 3.544 -0.741 1.00 0.00 H new ATOM 0 HG21 VAL A 50 -21.692 2.604 1.203 1.00 0.00 H new ATOM 0 HG22 VAL A 50 -21.856 2.511 -0.567 1.00 0.00 H new ATOM 0 HG23 VAL A 50 -22.065 1.048 0.424 1.00 0.00 H new ATOM 708 N ASP A 51 -21.542 -0.247 -2.209 1.00 0.00 N ATOM 709 CA ASP A 51 -22.630 -0.338 -3.168 1.00 0.00 C ATOM 710 C ASP A 51 -23.946 0.022 -2.475 1.00 0.00 C ATOM 711 O ASP A 51 -24.175 -0.366 -1.330 1.00 0.00 O ATOM 712 CB ASP A 51 -22.759 -1.759 -3.720 1.00 0.00 C ATOM 713 CG ASP A 51 -22.469 -1.900 -5.216 1.00 0.00 C ATOM 714 OD1 ASP A 51 -23.029 -1.087 -5.982 1.00 0.00 O ATOM 715 OD2 ASP A 51 -21.692 -2.817 -5.559 1.00 0.00 O ATOM 0 H ASP A 51 -21.374 -1.098 -1.673 1.00 0.00 H new ATOM 0 HA ASP A 51 -22.417 0.349 -3.987 1.00 0.00 H new ATOM 0 HB2 ASP A 51 -22.079 -2.409 -3.170 1.00 0.00 H new ATOM 0 HB3 ASP A 51 -23.770 -2.118 -3.526 1.00 0.00 H new ATOM 720 N ILE A 52 -24.776 0.758 -3.198 1.00 0.00 N ATOM 721 CA ILE A 52 -26.063 1.175 -2.667 1.00 0.00 C ATOM 722 C ILE A 52 -27.078 0.046 -2.859 1.00 0.00 C ATOM 723 O ILE A 52 -27.964 -0.146 -2.027 1.00 0.00 O ATOM 724 CB ILE A 52 -26.496 2.504 -3.290 1.00 0.00 C ATOM 725 CG1 ILE A 52 -27.896 2.900 -2.818 1.00 0.00 C ATOM 726 CG2 ILE A 52 -26.398 2.451 -4.816 1.00 0.00 C ATOM 727 CD1 ILE A 52 -27.914 4.341 -2.304 1.00 0.00 C ATOM 0 H ILE A 52 -24.583 1.077 -4.147 1.00 0.00 H new ATOM 0 HA ILE A 52 -25.991 1.361 -1.596 1.00 0.00 H new ATOM 0 HB ILE A 52 -25.811 3.281 -2.950 1.00 0.00 H new ATOM 0 HG12 ILE A 52 -28.604 2.794 -3.640 1.00 0.00 H new ATOM 0 HG13 ILE A 52 -28.222 2.224 -2.027 1.00 0.00 H new ATOM 0 HG21 ILE A 52 -26.711 3.408 -5.234 1.00 0.00 H new ATOM 0 HG22 ILE A 52 -25.368 2.247 -5.108 1.00 0.00 H new ATOM 0 HG23 ILE A 52 -27.045 1.660 -5.195 1.00 0.00 H new ATOM 0 HD11 ILE A 52 -28.921 4.597 -1.975 1.00 0.00 H new ATOM 0 HD12 ILE A 52 -27.223 4.437 -1.467 1.00 0.00 H new ATOM 0 HD13 ILE A 52 -27.611 5.016 -3.104 1.00 0.00 H new ATOM 739 N VAL A 53 -26.916 -0.671 -3.961 1.00 0.00 N ATOM 740 CA VAL A 53 -27.808 -1.775 -4.274 1.00 0.00 C ATOM 741 C VAL A 53 -27.372 -3.014 -3.489 1.00 0.00 C ATOM 742 O VAL A 53 -28.176 -3.621 -2.783 1.00 0.00 O ATOM 743 CB VAL A 53 -27.844 -2.007 -5.786 1.00 0.00 C ATOM 744 CG1 VAL A 53 -28.287 -0.742 -6.524 1.00 0.00 C ATOM 745 CG2 VAL A 53 -26.488 -2.495 -6.298 1.00 0.00 C ATOM 0 H VAL A 53 -26.180 -0.509 -4.649 1.00 0.00 H new ATOM 0 HA VAL A 53 -28.828 -1.540 -3.971 1.00 0.00 H new ATOM 0 HB VAL A 53 -28.578 -2.787 -5.988 1.00 0.00 H new ATOM 0 HG11 VAL A 53 -28.304 -0.934 -7.597 1.00 0.00 H new ATOM 0 HG12 VAL A 53 -29.285 -0.457 -6.190 1.00 0.00 H new ATOM 0 HG13 VAL A 53 -27.588 0.067 -6.311 1.00 0.00 H new ATOM 0 HG21 VAL A 53 -26.541 -2.652 -7.375 1.00 0.00 H new ATOM 0 HG22 VAL A 53 -25.725 -1.748 -6.077 1.00 0.00 H new ATOM 0 HG23 VAL A 53 -26.230 -3.433 -5.807 1.00 0.00 H new ATOM 755 N LYS A 54 -26.100 -3.353 -3.640 1.00 0.00 N ATOM 756 CA LYS A 54 -25.547 -4.509 -2.954 1.00 0.00 C ATOM 757 C LYS A 54 -25.423 -4.200 -1.461 1.00 0.00 C ATOM 758 O LYS A 54 -25.329 -5.111 -0.640 1.00 0.00 O ATOM 759 CB LYS A 54 -24.231 -4.939 -3.605 1.00 0.00 C ATOM 760 CG LYS A 54 -24.470 -5.492 -5.012 1.00 0.00 C ATOM 761 CD LYS A 54 -23.418 -6.543 -5.373 1.00 0.00 C ATOM 762 CE LYS A 54 -22.271 -5.919 -6.170 1.00 0.00 C ATOM 763 NZ LYS A 54 -22.297 -6.391 -7.572 1.00 0.00 N ATOM 0 H LYS A 54 -25.436 -2.848 -4.227 1.00 0.00 H new ATOM 0 HA LYS A 54 -26.216 -5.364 -3.048 1.00 0.00 H new ATOM 0 HB2 LYS A 54 -23.551 -4.089 -3.655 1.00 0.00 H new ATOM 0 HB3 LYS A 54 -23.747 -5.698 -2.990 1.00 0.00 H new ATOM 0 HG2 LYS A 54 -25.465 -5.933 -5.069 1.00 0.00 H new ATOM 0 HG3 LYS A 54 -24.440 -4.678 -5.737 1.00 0.00 H new ATOM 0 HD2 LYS A 54 -23.028 -6.999 -4.463 1.00 0.00 H new ATOM 0 HD3 LYS A 54 -23.880 -7.340 -5.956 1.00 0.00 H new ATOM 0 HE2 LYS A 54 -22.352 -4.832 -6.144 1.00 0.00 H new ATOM 0 HE3 LYS A 54 -21.317 -6.179 -5.710 1.00 0.00 H new ATOM 0 HZ1 LYS A 54 -21.512 -5.958 -8.099 1.00 0.00 H new ATOM 0 HZ2 LYS A 54 -22.198 -7.426 -7.592 1.00 0.00 H new ATOM 0 HZ3 LYS A 54 -23.200 -6.121 -8.012 1.00 0.00 H new ATOM 777 N GLY A 55 -25.425 -2.911 -1.154 1.00 0.00 N ATOM 778 CA GLY A 55 -25.314 -2.470 0.226 1.00 0.00 C ATOM 779 C GLY A 55 -24.090 -3.091 0.903 1.00 0.00 C ATOM 780 O GLY A 55 -24.141 -3.448 2.079 1.00 0.00 O ATOM 0 H GLY A 55 -25.502 -2.158 -1.838 1.00 0.00 H new ATOM 0 HA2 GLY A 55 -25.240 -1.383 0.259 1.00 0.00 H new ATOM 0 HA3 GLY A 55 -26.216 -2.745 0.773 1.00 0.00 H new ATOM 784 N THR A 56 -23.019 -3.201 0.131 1.00 0.00 N ATOM 785 CA THR A 56 -21.785 -3.773 0.641 1.00 0.00 C ATOM 786 C THR A 56 -20.684 -2.712 0.686 1.00 0.00 C ATOM 787 O THR A 56 -20.285 -2.182 -0.351 1.00 0.00 O ATOM 788 CB THR A 56 -21.429 -4.982 -0.227 1.00 0.00 C ATOM 789 OG1 THR A 56 -20.284 -5.541 0.410 1.00 0.00 O ATOM 790 CG2 THR A 56 -20.925 -4.578 -1.614 1.00 0.00 C ATOM 0 H THR A 56 -22.980 -2.904 -0.844 1.00 0.00 H new ATOM 0 HA THR A 56 -21.904 -4.117 1.669 1.00 0.00 H new ATOM 0 HB THR A 56 -22.303 -5.624 -0.332 1.00 0.00 H new ATOM 0 HG1 THR A 56 -19.801 -6.110 -0.225 1.00 0.00 H new ATOM 0 HG21 THR A 56 -20.686 -5.473 -2.189 1.00 0.00 H new ATOM 0 HG22 THR A 56 -21.698 -4.010 -2.131 1.00 0.00 H new ATOM 0 HG23 THR A 56 -20.031 -3.963 -1.511 1.00 0.00 H new ATOM 798 N ASN A 57 -20.223 -2.433 1.896 1.00 0.00 N ATOM 799 CA ASN A 57 -19.176 -1.444 2.089 1.00 0.00 C ATOM 800 C ASN A 57 -17.827 -2.155 2.218 1.00 0.00 C ATOM 801 O ASN A 57 -17.581 -2.853 3.200 1.00 0.00 O ATOM 802 CB ASN A 57 -19.409 -0.637 3.368 1.00 0.00 C ATOM 803 CG ASN A 57 -20.551 0.364 3.184 1.00 0.00 C ATOM 804 OD1 ASN A 57 -21.477 0.155 2.417 1.00 0.00 O ATOM 805 ND2 ASN A 57 -20.435 1.460 3.928 1.00 0.00 N ATOM 0 H ASN A 57 -20.555 -2.875 2.753 1.00 0.00 H new ATOM 0 HA ASN A 57 -19.185 -0.771 1.232 1.00 0.00 H new ATOM 0 HB2 ASN A 57 -19.642 -1.313 4.191 1.00 0.00 H new ATOM 0 HB3 ASN A 57 -18.496 -0.107 3.639 1.00 0.00 H new ATOM 0 HD21 ASN A 57 -21.147 2.189 3.877 1.00 0.00 H new ATOM 0 HD22 ASN A 57 -19.634 1.572 4.550 1.00 0.00 H new ATOM 812 N SER A 58 -16.989 -1.952 1.212 1.00 0.00 N ATOM 813 CA SER A 58 -15.672 -2.565 1.200 1.00 0.00 C ATOM 814 C SER A 58 -14.596 -1.496 1.402 1.00 0.00 C ATOM 815 O SER A 58 -14.860 -0.306 1.239 1.00 0.00 O ATOM 816 CB SER A 58 -15.428 -3.323 -0.106 1.00 0.00 C ATOM 817 OG SER A 58 -16.051 -4.605 -0.103 1.00 0.00 O ATOM 0 H SER A 58 -17.197 -1.372 0.399 1.00 0.00 H new ATOM 0 HA SER A 58 -15.622 -3.282 2.019 1.00 0.00 H new ATOM 0 HB2 SER A 58 -15.809 -2.737 -0.942 1.00 0.00 H new ATOM 0 HB3 SER A 58 -14.356 -3.441 -0.262 1.00 0.00 H new ATOM 0 HG SER A 58 -15.874 -5.057 -0.954 1.00 0.00 H new ATOM 823 N TYR A 59 -13.405 -1.959 1.753 1.00 0.00 N ATOM 824 CA TYR A 59 -12.288 -1.058 1.979 1.00 0.00 C ATOM 825 C TYR A 59 -10.957 -1.748 1.677 1.00 0.00 C ATOM 826 O TYR A 59 -10.673 -2.819 2.213 1.00 0.00 O ATOM 827 CB TYR A 59 -12.334 -0.692 3.464 1.00 0.00 C ATOM 828 CG TYR A 59 -11.852 -1.806 4.395 1.00 0.00 C ATOM 829 CD1 TYR A 59 -12.744 -2.753 4.858 1.00 0.00 C ATOM 830 CD2 TYR A 59 -10.526 -1.865 4.771 1.00 0.00 C ATOM 831 CE1 TYR A 59 -12.291 -3.801 5.734 1.00 0.00 C ATOM 832 CE2 TYR A 59 -10.073 -2.914 5.647 1.00 0.00 C ATOM 833 CZ TYR A 59 -10.977 -3.830 6.085 1.00 0.00 C ATOM 834 OH TYR A 59 -10.549 -4.821 6.913 1.00 0.00 O ATOM 0 H TYR A 59 -13.189 -2.947 1.886 1.00 0.00 H new ATOM 0 HA TYR A 59 -12.363 -0.185 1.331 1.00 0.00 H new ATOM 0 HB2 TYR A 59 -11.722 0.195 3.628 1.00 0.00 H new ATOM 0 HB3 TYR A 59 -13.357 -0.427 3.731 1.00 0.00 H new ATOM 0 HD1 TYR A 59 -13.782 -2.707 4.563 1.00 0.00 H new ATOM 0 HD2 TYR A 59 -9.828 -1.125 4.408 1.00 0.00 H new ATOM 0 HE1 TYR A 59 -12.978 -4.547 6.104 1.00 0.00 H new ATOM 0 HE2 TYR A 59 -9.038 -2.972 5.949 1.00 0.00 H new ATOM 0 HH TYR A 59 -9.588 -4.718 7.078 1.00 0.00 H new ATOM 844 N TYR A 60 -10.175 -1.108 0.821 1.00 0.00 N ATOM 845 CA TYR A 60 -8.880 -1.647 0.442 1.00 0.00 C ATOM 846 C TYR A 60 -7.746 -0.734 0.912 1.00 0.00 C ATOM 847 O TYR A 60 -7.600 0.384 0.420 1.00 0.00 O ATOM 848 CB TYR A 60 -8.876 -1.699 -1.088 1.00 0.00 C ATOM 849 CG TYR A 60 -7.555 -2.180 -1.691 1.00 0.00 C ATOM 850 CD1 TYR A 60 -7.214 -3.516 -1.629 1.00 0.00 C ATOM 851 CD2 TYR A 60 -6.703 -1.277 -2.295 1.00 0.00 C ATOM 852 CE1 TYR A 60 -5.970 -3.968 -2.197 1.00 0.00 C ATOM 853 CE2 TYR A 60 -5.460 -1.730 -2.863 1.00 0.00 C ATOM 854 CZ TYR A 60 -5.154 -3.053 -2.786 1.00 0.00 C ATOM 855 OH TYR A 60 -3.980 -3.480 -3.322 1.00 0.00 O ATOM 0 H TYR A 60 -10.413 -0.220 0.379 1.00 0.00 H new ATOM 0 HA TYR A 60 -8.725 -2.627 0.894 1.00 0.00 H new ATOM 0 HB2 TYR A 60 -9.677 -2.359 -1.421 1.00 0.00 H new ATOM 0 HB3 TYR A 60 -9.100 -0.705 -1.476 1.00 0.00 H new ATOM 0 HD1 TYR A 60 -7.880 -4.222 -1.155 1.00 0.00 H new ATOM 0 HD2 TYR A 60 -6.969 -0.231 -2.341 1.00 0.00 H new ATOM 0 HE1 TYR A 60 -5.691 -5.011 -2.156 1.00 0.00 H new ATOM 0 HE2 TYR A 60 -4.785 -1.034 -3.340 1.00 0.00 H new ATOM 0 HH TYR A 60 -3.657 -4.259 -2.823 1.00 0.00 H new ATOM 865 N LYS A 61 -6.973 -1.243 1.859 1.00 0.00 N ATOM 866 CA LYS A 61 -5.857 -0.487 2.402 1.00 0.00 C ATOM 867 C LYS A 61 -4.575 -0.880 1.666 1.00 0.00 C ATOM 868 O LYS A 61 -4.381 -2.048 1.329 1.00 0.00 O ATOM 869 CB LYS A 61 -5.775 -0.667 3.919 1.00 0.00 C ATOM 870 CG LYS A 61 -6.032 0.656 4.643 1.00 0.00 C ATOM 871 CD LYS A 61 -4.786 1.544 4.620 1.00 0.00 C ATOM 872 CE LYS A 61 -4.673 2.363 5.908 1.00 0.00 C ATOM 873 NZ LYS A 61 -3.968 3.638 5.650 1.00 0.00 N ATOM 0 H LYS A 61 -7.097 -2.171 2.265 1.00 0.00 H new ATOM 0 HA LYS A 61 -6.005 0.581 2.239 1.00 0.00 H new ATOM 0 HB2 LYS A 61 -6.505 -1.409 4.241 1.00 0.00 H new ATOM 0 HB3 LYS A 61 -4.791 -1.049 4.191 1.00 0.00 H new ATOM 0 HG2 LYS A 61 -6.864 1.178 4.170 1.00 0.00 H new ATOM 0 HG3 LYS A 61 -6.324 0.460 5.675 1.00 0.00 H new ATOM 0 HD2 LYS A 61 -3.897 0.926 4.499 1.00 0.00 H new ATOM 0 HD3 LYS A 61 -4.828 2.214 3.761 1.00 0.00 H new ATOM 0 HE2 LYS A 61 -5.667 2.564 6.306 1.00 0.00 H new ATOM 0 HE3 LYS A 61 -4.136 1.790 6.664 1.00 0.00 H new ATOM 0 HZ1 LYS A 61 -4.090 4.273 6.465 1.00 0.00 H new ATOM 0 HZ2 LYS A 61 -2.955 3.451 5.505 1.00 0.00 H new ATOM 0 HZ3 LYS A 61 -4.363 4.087 4.799 1.00 0.00 H new ATOM 887 N LEU A 62 -3.732 0.116 1.437 1.00 0.00 N ATOM 888 CA LEU A 62 -2.474 -0.110 0.747 1.00 0.00 C ATOM 889 C LEU A 62 -1.326 0.446 1.592 1.00 0.00 C ATOM 890 O LEU A 62 -1.423 1.549 2.127 1.00 0.00 O ATOM 891 CB LEU A 62 -2.529 0.464 -0.670 1.00 0.00 C ATOM 892 CG LEU A 62 -2.466 -0.555 -1.810 1.00 0.00 C ATOM 893 CD1 LEU A 62 -1.956 0.095 -3.098 1.00 0.00 C ATOM 894 CD2 LEU A 62 -1.630 -1.772 -1.411 1.00 0.00 C ATOM 0 H LEU A 62 -3.896 1.083 1.718 1.00 0.00 H new ATOM 0 HA LEU A 62 -2.293 -1.178 0.626 1.00 0.00 H new ATOM 0 HB2 LEU A 62 -3.450 1.038 -0.773 1.00 0.00 H new ATOM 0 HB3 LEU A 62 -1.702 1.164 -0.789 1.00 0.00 H new ATOM 0 HG LEU A 62 -3.477 -0.911 -2.008 1.00 0.00 H new ATOM 0 HD11 LEU A 62 -1.921 -0.650 -3.892 1.00 0.00 H new ATOM 0 HD12 LEU A 62 -2.627 0.903 -3.388 1.00 0.00 H new ATOM 0 HD13 LEU A 62 -0.956 0.496 -2.932 1.00 0.00 H new ATOM 0 HD21 LEU A 62 -1.601 -2.481 -2.239 1.00 0.00 H new ATOM 0 HD22 LEU A 62 -0.616 -1.454 -1.170 1.00 0.00 H new ATOM 0 HD23 LEU A 62 -2.077 -2.250 -0.539 1.00 0.00 H new ATOM 906 N GLN A 63 -0.266 -0.344 1.686 1.00 0.00 N ATOM 907 CA GLN A 63 0.899 0.056 2.457 1.00 0.00 C ATOM 908 C GLN A 63 2.129 -0.736 2.009 1.00 0.00 C ATOM 909 O GLN A 63 2.095 -1.964 1.953 1.00 0.00 O ATOM 910 CB GLN A 63 0.650 -0.120 3.957 1.00 0.00 C ATOM 911 CG GLN A 63 -0.538 0.726 4.419 1.00 0.00 C ATOM 912 CD GLN A 63 -0.670 0.700 5.943 1.00 0.00 C ATOM 913 OE1 GLN A 63 -1.396 -0.096 6.515 1.00 0.00 O ATOM 914 NE2 GLN A 63 0.071 1.613 6.566 1.00 0.00 N ATOM 0 H GLN A 63 -0.190 -1.259 1.241 1.00 0.00 H new ATOM 0 HA GLN A 63 1.086 1.114 2.274 1.00 0.00 H new ATOM 0 HB2 GLN A 63 0.460 -1.171 4.177 1.00 0.00 H new ATOM 0 HB3 GLN A 63 1.543 0.166 4.513 1.00 0.00 H new ATOM 0 HG2 GLN A 63 -0.411 1.754 4.079 1.00 0.00 H new ATOM 0 HG3 GLN A 63 -1.455 0.351 3.965 1.00 0.00 H new ATOM 0 HE21 GLN A 63 0.657 2.249 6.026 1.00 0.00 H new ATOM 0 HE22 GLN A 63 0.053 1.677 7.584 1.00 0.00 H new ATOM 923 N LEU A 64 3.187 0.001 1.701 1.00 0.00 N ATOM 924 CA LEU A 64 4.425 -0.617 1.260 1.00 0.00 C ATOM 925 C LEU A 64 5.500 -0.418 2.331 1.00 0.00 C ATOM 926 O LEU A 64 6.097 0.653 2.425 1.00 0.00 O ATOM 927 CB LEU A 64 4.826 -0.088 -0.119 1.00 0.00 C ATOM 928 CG LEU A 64 5.827 -0.942 -0.900 1.00 0.00 C ATOM 929 CD1 LEU A 64 5.990 -0.424 -2.331 1.00 0.00 C ATOM 930 CD2 LEU A 64 7.166 -1.027 -0.166 1.00 0.00 C ATOM 0 H LEU A 64 3.212 1.020 1.748 1.00 0.00 H new ATOM 0 HA LEU A 64 4.291 -1.692 1.138 1.00 0.00 H new ATOM 0 HB2 LEU A 64 3.924 0.021 -0.721 1.00 0.00 H new ATOM 0 HB3 LEU A 64 5.248 0.909 0.005 1.00 0.00 H new ATOM 0 HG LEU A 64 5.432 -1.956 -0.967 1.00 0.00 H new ATOM 0 HD11 LEU A 64 6.707 -1.048 -2.865 1.00 0.00 H new ATOM 0 HD12 LEU A 64 5.028 -0.458 -2.842 1.00 0.00 H new ATOM 0 HD13 LEU A 64 6.352 0.604 -2.307 1.00 0.00 H new ATOM 0 HD21 LEU A 64 7.859 -1.640 -0.743 1.00 0.00 H new ATOM 0 HD22 LEU A 64 7.580 -0.026 -0.047 1.00 0.00 H new ATOM 0 HD23 LEU A 64 7.015 -1.476 0.816 1.00 0.00 H new ATOM 942 N LEU A 65 5.712 -1.467 3.112 1.00 0.00 N ATOM 943 CA LEU A 65 6.704 -1.422 4.173 1.00 0.00 C ATOM 944 C LEU A 65 8.099 -1.597 3.569 1.00 0.00 C ATOM 945 O LEU A 65 8.299 -2.437 2.693 1.00 0.00 O ATOM 946 CB LEU A 65 6.372 -2.445 5.261 1.00 0.00 C ATOM 947 CG LEU A 65 4.887 -2.620 5.586 1.00 0.00 C ATOM 948 CD1 LEU A 65 4.670 -3.798 6.538 1.00 0.00 C ATOM 949 CD2 LEU A 65 4.288 -1.323 6.132 1.00 0.00 C ATOM 0 H LEU A 65 5.214 -2.353 3.031 1.00 0.00 H new ATOM 0 HA LEU A 65 6.690 -0.450 4.667 1.00 0.00 H new ATOM 0 HB2 LEU A 65 6.774 -3.412 4.958 1.00 0.00 H new ATOM 0 HB3 LEU A 65 6.892 -2.156 6.174 1.00 0.00 H new ATOM 0 HG LEU A 65 4.360 -2.852 4.661 1.00 0.00 H new ATOM 0 HD11 LEU A 65 3.606 -3.901 6.753 1.00 0.00 H new ATOM 0 HD12 LEU A 65 5.036 -4.713 6.074 1.00 0.00 H new ATOM 0 HD13 LEU A 65 5.212 -3.620 7.467 1.00 0.00 H new ATOM 0 HD21 LEU A 65 3.232 -1.475 6.355 1.00 0.00 H new ATOM 0 HD22 LEU A 65 4.813 -1.035 7.043 1.00 0.00 H new ATOM 0 HD23 LEU A 65 4.392 -0.533 5.388 1.00 0.00 H new ATOM 961 N GLU A 66 9.028 -0.791 4.062 1.00 0.00 N ATOM 962 CA GLU A 66 10.398 -0.846 3.582 1.00 0.00 C ATOM 963 C GLU A 66 11.362 -1.054 4.752 1.00 0.00 C ATOM 964 O GLU A 66 11.276 -0.359 5.763 1.00 0.00 O ATOM 965 CB GLU A 66 10.755 0.417 2.795 1.00 0.00 C ATOM 966 CG GLU A 66 11.137 1.560 3.737 1.00 0.00 C ATOM 967 CD GLU A 66 11.588 2.792 2.950 1.00 0.00 C ATOM 968 OE1 GLU A 66 12.365 2.598 1.990 1.00 0.00 O ATOM 969 OE2 GLU A 66 11.146 3.899 3.325 1.00 0.00 O ATOM 0 H GLU A 66 8.859 -0.096 4.789 1.00 0.00 H new ATOM 0 HA GLU A 66 10.491 -1.695 2.904 1.00 0.00 H new ATOM 0 HB2 GLU A 66 11.583 0.206 2.118 1.00 0.00 H new ATOM 0 HB3 GLU A 66 9.908 0.717 2.178 1.00 0.00 H new ATOM 0 HG2 GLU A 66 10.285 1.818 4.366 1.00 0.00 H new ATOM 0 HG3 GLU A 66 11.937 1.236 4.402 1.00 0.00 H new ATOM 976 N ASP A 67 12.258 -2.014 4.575 1.00 0.00 N ATOM 977 CA ASP A 67 13.237 -2.322 5.604 1.00 0.00 C ATOM 978 C ASP A 67 14.258 -1.186 5.687 1.00 0.00 C ATOM 979 O ASP A 67 14.894 -0.844 4.691 1.00 0.00 O ATOM 980 CB ASP A 67 13.992 -3.612 5.277 1.00 0.00 C ATOM 981 CG ASP A 67 14.487 -4.398 6.493 1.00 0.00 C ATOM 982 OD1 ASP A 67 15.379 -3.865 7.187 1.00 0.00 O ATOM 983 OD2 ASP A 67 13.962 -5.513 6.701 1.00 0.00 O ATOM 0 H ASP A 67 12.327 -2.588 3.735 1.00 0.00 H new ATOM 0 HA ASP A 67 12.706 -2.443 6.548 1.00 0.00 H new ATOM 0 HB2 ASP A 67 13.341 -4.257 4.687 1.00 0.00 H new ATOM 0 HB3 ASP A 67 14.849 -3.365 4.650 1.00 0.00 H new ATOM 988 N ASP A 68 14.383 -0.632 6.884 1.00 0.00 N ATOM 989 CA ASP A 68 15.316 0.459 7.110 1.00 0.00 C ATOM 990 C ASP A 68 16.730 -0.106 7.253 1.00 0.00 C ATOM 991 O ASP A 68 17.681 0.442 6.698 1.00 0.00 O ATOM 992 CB ASP A 68 14.977 1.216 8.395 1.00 0.00 C ATOM 993 CG ASP A 68 14.639 0.332 9.597 1.00 0.00 C ATOM 994 OD1 ASP A 68 13.622 -0.389 9.503 1.00 0.00 O ATOM 995 OD2 ASP A 68 15.405 0.397 10.582 1.00 0.00 O ATOM 0 H ASP A 68 13.854 -0.918 7.708 1.00 0.00 H new ATOM 0 HA ASP A 68 15.250 1.140 6.262 1.00 0.00 H new ATOM 0 HB2 ASP A 68 15.822 1.852 8.657 1.00 0.00 H new ATOM 0 HB3 ASP A 68 14.131 1.875 8.198 1.00 0.00 H new ATOM 1051 N ARG A 72 14.509 -5.329 2.357 1.00 0.00 N ATOM 1052 CA ARG A 72 13.388 -6.217 2.100 1.00 0.00 C ATOM 1053 C ARG A 72 12.066 -5.468 2.279 1.00 0.00 C ATOM 1054 O ARG A 72 11.779 -4.958 3.361 1.00 0.00 O ATOM 1055 CB ARG A 72 13.414 -7.424 3.039 1.00 0.00 C ATOM 1056 CG ARG A 72 13.259 -8.730 2.258 1.00 0.00 C ATOM 1057 CD ARG A 72 12.921 -9.892 3.194 1.00 0.00 C ATOM 1058 NE ARG A 72 13.086 -11.180 2.483 1.00 0.00 N ATOM 1059 CZ ARG A 72 12.916 -12.380 3.053 1.00 0.00 C ATOM 1060 NH1 ARG A 72 12.575 -12.465 4.346 1.00 0.00 N ATOM 1061 NH2 ARG A 72 13.086 -13.496 2.330 1.00 0.00 N ATOM 0 HA ARG A 72 13.474 -6.570 1.072 1.00 0.00 H new ATOM 0 HB2 ARG A 72 14.352 -7.437 3.594 1.00 0.00 H new ATOM 0 HB3 ARG A 72 12.611 -7.337 3.771 1.00 0.00 H new ATOM 0 HG2 ARG A 72 12.473 -8.620 1.511 1.00 0.00 H new ATOM 0 HG3 ARG A 72 14.182 -8.948 1.720 1.00 0.00 H new ATOM 0 HD2 ARG A 72 13.570 -9.865 4.070 1.00 0.00 H new ATOM 0 HD3 ARG A 72 11.897 -9.794 3.553 1.00 0.00 H new ATOM 0 HE ARG A 72 13.345 -11.152 1.497 1.00 0.00 H new ATOM 0 HH11 ARG A 72 12.445 -11.616 4.896 1.00 0.00 H new ATOM 0 HH12 ARG A 72 12.445 -13.379 4.780 1.00 0.00 H new ATOM 0 HH21 ARG A 72 13.345 -13.431 1.346 1.00 0.00 H new ATOM 0 HH22 ARG A 72 12.956 -14.410 2.764 1.00 0.00 H new ATOM 1075 N TYR A 73 11.296 -5.426 1.202 1.00 0.00 N ATOM 1076 CA TYR A 73 10.010 -4.749 1.227 1.00 0.00 C ATOM 1077 C TYR A 73 8.859 -5.756 1.229 1.00 0.00 C ATOM 1078 O TYR A 73 8.991 -6.857 0.695 1.00 0.00 O ATOM 1079 CB TYR A 73 9.945 -3.921 -0.058 1.00 0.00 C ATOM 1080 CG TYR A 73 10.999 -2.815 -0.140 1.00 0.00 C ATOM 1081 CD1 TYR A 73 12.319 -3.136 -0.386 1.00 0.00 C ATOM 1082 CD2 TYR A 73 10.630 -1.496 0.032 1.00 0.00 C ATOM 1083 CE1 TYR A 73 13.311 -2.094 -0.463 1.00 0.00 C ATOM 1084 CE2 TYR A 73 11.622 -0.455 -0.044 1.00 0.00 C ATOM 1085 CZ TYR A 73 12.913 -0.805 -0.288 1.00 0.00 C ATOM 1086 OH TYR A 73 13.850 0.178 -0.360 1.00 0.00 O ATOM 0 H TYR A 73 11.538 -5.850 0.306 1.00 0.00 H new ATOM 0 HA TYR A 73 9.916 -4.138 2.124 1.00 0.00 H new ATOM 0 HB2 TYR A 73 10.064 -4.586 -0.913 1.00 0.00 H new ATOM 0 HB3 TYR A 73 8.955 -3.472 -0.139 1.00 0.00 H new ATOM 0 HD1 TYR A 73 12.608 -4.168 -0.521 1.00 0.00 H new ATOM 0 HD2 TYR A 73 9.597 -1.245 0.224 1.00 0.00 H new ATOM 0 HE1 TYR A 73 14.347 -2.331 -0.655 1.00 0.00 H new ATOM 0 HE2 TYR A 73 11.347 0.581 0.090 1.00 0.00 H new ATOM 0 HH TYR A 73 13.408 1.053 -0.345 1.00 0.00 H new ATOM 1096 N TRP A 74 7.756 -5.344 1.835 1.00 0.00 N ATOM 1097 CA TRP A 74 6.582 -6.197 1.914 1.00 0.00 C ATOM 1098 C TRP A 74 5.409 -5.448 1.278 1.00 0.00 C ATOM 1099 O TRP A 74 5.392 -4.218 1.258 1.00 0.00 O ATOM 1100 CB TRP A 74 6.308 -6.622 3.358 1.00 0.00 C ATOM 1101 CG TRP A 74 7.325 -7.619 3.917 1.00 0.00 C ATOM 1102 CD1 TRP A 74 7.263 -8.957 3.900 1.00 0.00 C ATOM 1103 CD2 TRP A 74 8.567 -7.300 4.580 1.00 0.00 C ATOM 1104 NE1 TRP A 74 8.369 -9.522 4.502 1.00 0.00 N ATOM 1105 CE2 TRP A 74 9.187 -8.482 4.929 1.00 0.00 C ATOM 1106 CE3 TRP A 74 9.146 -6.054 4.876 1.00 0.00 C ATOM 1107 CZ2 TRP A 74 10.419 -8.535 5.592 1.00 0.00 C ATOM 1108 CZ3 TRP A 74 10.377 -6.124 5.539 1.00 0.00 C ATOM 1109 CH2 TRP A 74 11.015 -7.306 5.897 1.00 0.00 C ATOM 0 H TRP A 74 7.650 -4.431 2.276 1.00 0.00 H new ATOM 0 HA TRP A 74 6.742 -7.124 1.364 1.00 0.00 H new ATOM 0 HB2 TRP A 74 6.298 -5.735 3.991 1.00 0.00 H new ATOM 0 HB3 TRP A 74 5.313 -7.064 3.413 1.00 0.00 H new ATOM 0 HD1 TRP A 74 6.450 -9.522 3.469 1.00 0.00 H new ATOM 0 HE1 TRP A 74 8.553 -10.519 4.613 1.00 0.00 H new ATOM 0 HE3 TRP A 74 8.678 -5.117 4.613 1.00 0.00 H new ATOM 0 HZ2 TRP A 74 10.884 -9.474 5.854 1.00 0.00 H new ATOM 0 HZ3 TRP A 74 10.865 -5.194 5.790 1.00 0.00 H new ATOM 0 HH2 TRP A 74 11.966 -7.276 6.408 1.00 0.00 H new ATOM 1120 N ILE A 75 4.457 -6.220 0.775 1.00 0.00 N ATOM 1121 CA ILE A 75 3.284 -5.644 0.141 1.00 0.00 C ATOM 1122 C ILE A 75 2.043 -5.986 0.968 1.00 0.00 C ATOM 1123 O ILE A 75 1.498 -7.082 0.852 1.00 0.00 O ATOM 1124 CB ILE A 75 3.191 -6.090 -1.320 1.00 0.00 C ATOM 1125 CG1 ILE A 75 4.224 -5.362 -2.182 1.00 0.00 C ATOM 1126 CG2 ILE A 75 1.769 -5.915 -1.857 1.00 0.00 C ATOM 1127 CD1 ILE A 75 3.747 -3.952 -2.536 1.00 0.00 C ATOM 0 H ILE A 75 4.474 -7.240 0.794 1.00 0.00 H new ATOM 0 HA ILE A 75 3.361 -4.557 0.114 1.00 0.00 H new ATOM 0 HB ILE A 75 3.424 -7.154 -1.368 1.00 0.00 H new ATOM 0 HG12 ILE A 75 5.173 -5.306 -1.649 1.00 0.00 H new ATOM 0 HG13 ILE A 75 4.405 -5.929 -3.095 1.00 0.00 H new ATOM 0 HG21 ILE A 75 1.730 -6.239 -2.897 1.00 0.00 H new ATOM 0 HG22 ILE A 75 1.080 -6.516 -1.264 1.00 0.00 H new ATOM 0 HG23 ILE A 75 1.483 -4.865 -1.793 1.00 0.00 H new ATOM 0 HD11 ILE A 75 4.500 -3.456 -3.149 1.00 0.00 H new ATOM 0 HD12 ILE A 75 2.810 -4.013 -3.090 1.00 0.00 H new ATOM 0 HD13 ILE A 75 3.590 -3.380 -1.621 1.00 0.00 H new ATOM 1139 N PHE A 76 1.633 -5.027 1.785 1.00 0.00 N ATOM 1140 CA PHE A 76 0.466 -5.212 2.631 1.00 0.00 C ATOM 1141 C PHE A 76 -0.808 -4.760 1.916 1.00 0.00 C ATOM 1142 O PHE A 76 -0.919 -3.604 1.510 1.00 0.00 O ATOM 1143 CB PHE A 76 0.674 -4.345 3.875 1.00 0.00 C ATOM 1144 CG PHE A 76 -0.458 -4.446 4.899 1.00 0.00 C ATOM 1145 CD1 PHE A 76 -0.473 -5.465 5.799 1.00 0.00 C ATOM 1146 CD2 PHE A 76 -1.450 -3.516 4.909 1.00 0.00 C ATOM 1147 CE1 PHE A 76 -1.524 -5.558 6.750 1.00 0.00 C ATOM 1148 CE2 PHE A 76 -2.501 -3.609 5.860 1.00 0.00 C ATOM 1149 CZ PHE A 76 -2.516 -4.628 6.760 1.00 0.00 C ATOM 0 H PHE A 76 2.088 -4.119 1.879 1.00 0.00 H new ATOM 0 HA PHE A 76 0.353 -6.266 2.883 1.00 0.00 H new ATOM 0 HB2 PHE A 76 1.610 -4.633 4.354 1.00 0.00 H new ATOM 0 HB3 PHE A 76 0.780 -3.305 3.567 1.00 0.00 H new ATOM 0 HD1 PHE A 76 0.315 -6.204 5.791 1.00 0.00 H new ATOM 0 HD2 PHE A 76 -1.439 -2.707 4.194 1.00 0.00 H new ATOM 0 HE1 PHE A 76 -1.535 -6.367 7.465 1.00 0.00 H new ATOM 0 HE2 PHE A 76 -3.289 -2.870 5.868 1.00 0.00 H new ATOM 0 HZ PHE A 76 -3.316 -4.699 7.483 1.00 0.00 H new ATOM 1159 N ARG A 77 -1.737 -5.695 1.783 1.00 0.00 N ATOM 1160 CA ARG A 77 -2.999 -5.407 1.123 1.00 0.00 C ATOM 1161 C ARG A 77 -4.169 -5.914 1.969 1.00 0.00 C ATOM 1162 O ARG A 77 -4.323 -7.119 2.162 1.00 0.00 O ATOM 1163 CB ARG A 77 -3.059 -6.058 -0.260 1.00 0.00 C ATOM 1164 CG ARG A 77 -1.758 -5.830 -1.031 1.00 0.00 C ATOM 1165 CD ARG A 77 -1.476 -6.990 -1.988 1.00 0.00 C ATOM 1166 NE ARG A 77 -2.750 -7.586 -2.449 1.00 0.00 N ATOM 1167 CZ ARG A 77 -2.855 -8.807 -2.990 1.00 0.00 C ATOM 1168 NH1 ARG A 77 -1.764 -9.570 -3.141 1.00 0.00 N ATOM 1169 NH2 ARG A 77 -4.052 -9.266 -3.380 1.00 0.00 N ATOM 0 H ARG A 77 -1.641 -6.653 2.121 1.00 0.00 H new ATOM 0 HA ARG A 77 -3.072 -4.326 1.006 1.00 0.00 H new ATOM 0 HB2 ARG A 77 -3.241 -7.128 -0.155 1.00 0.00 H new ATOM 0 HB3 ARG A 77 -3.896 -5.646 -0.823 1.00 0.00 H new ATOM 0 HG2 ARG A 77 -1.823 -4.898 -1.593 1.00 0.00 H new ATOM 0 HG3 ARG A 77 -0.930 -5.723 -0.330 1.00 0.00 H new ATOM 0 HD2 ARG A 77 -0.900 -6.635 -2.843 1.00 0.00 H new ATOM 0 HD3 ARG A 77 -0.871 -7.746 -1.488 1.00 0.00 H new ATOM 0 HE ARG A 77 -3.601 -7.033 -2.349 1.00 0.00 H new ATOM 0 HH11 ARG A 77 -0.853 -9.221 -2.844 1.00 0.00 H new ATOM 0 HH12 ARG A 77 -1.845 -10.500 -3.553 1.00 0.00 H new ATOM 0 HH21 ARG A 77 -4.883 -8.686 -3.265 1.00 0.00 H new ATOM 0 HH22 ARG A 77 -4.132 -10.196 -3.792 1.00 0.00 H new ATOM 1183 N SER A 78 -4.962 -4.970 2.452 1.00 0.00 N ATOM 1184 CA SER A 78 -6.113 -5.306 3.273 1.00 0.00 C ATOM 1185 C SER A 78 -7.401 -5.125 2.468 1.00 0.00 C ATOM 1186 O SER A 78 -7.474 -4.265 1.591 1.00 0.00 O ATOM 1187 CB SER A 78 -6.154 -4.450 4.540 1.00 0.00 C ATOM 1188 OG SER A 78 -7.189 -3.472 4.491 1.00 0.00 O ATOM 0 H SER A 78 -4.830 -3.971 2.291 1.00 0.00 H new ATOM 0 HA SER A 78 -6.025 -6.350 3.575 1.00 0.00 H new ATOM 0 HB2 SER A 78 -6.304 -5.093 5.407 1.00 0.00 H new ATOM 0 HB3 SER A 78 -5.193 -3.954 4.673 1.00 0.00 H new ATOM 0 HG SER A 78 -8.044 -3.888 4.727 1.00 0.00 H new ATOM 1194 N TRP A 79 -8.386 -5.949 2.794 1.00 0.00 N ATOM 1195 CA TRP A 79 -9.668 -5.891 2.113 1.00 0.00 C ATOM 1196 C TRP A 79 -10.723 -6.500 3.037 1.00 0.00 C ATOM 1197 O TRP A 79 -10.387 -7.163 4.017 1.00 0.00 O ATOM 1198 CB TRP A 79 -9.596 -6.582 0.750 1.00 0.00 C ATOM 1199 CG TRP A 79 -9.245 -8.070 0.824 1.00 0.00 C ATOM 1200 CD1 TRP A 79 -10.040 -9.087 1.184 1.00 0.00 C ATOM 1201 CD2 TRP A 79 -7.969 -8.669 0.516 1.00 0.00 C ATOM 1202 NE1 TRP A 79 -9.371 -10.294 1.130 1.00 0.00 N ATOM 1203 CE2 TRP A 79 -8.072 -10.031 0.711 1.00 0.00 C ATOM 1204 CE3 TRP A 79 -6.767 -8.079 0.087 1.00 0.00 C ATOM 1205 CZ2 TRP A 79 -7.010 -10.918 0.501 1.00 0.00 C ATOM 1206 CZ3 TRP A 79 -5.715 -8.979 -0.119 1.00 0.00 C ATOM 1207 CH2 TRP A 79 -5.803 -10.353 0.073 1.00 0.00 C ATOM 0 H TRP A 79 -8.322 -6.661 3.521 1.00 0.00 H new ATOM 0 HA TRP A 79 -9.946 -4.858 1.902 1.00 0.00 H new ATOM 0 HB2 TRP A 79 -10.556 -6.470 0.246 1.00 0.00 H new ATOM 0 HB3 TRP A 79 -8.853 -6.074 0.135 1.00 0.00 H new ATOM 0 HD1 TRP A 79 -11.073 -8.977 1.479 1.00 0.00 H new ATOM 0 HE1 TRP A 79 -9.759 -11.210 1.356 1.00 0.00 H new ATOM 0 HE3 TRP A 79 -6.664 -7.016 -0.071 1.00 0.00 H new ATOM 0 HZ2 TRP A 79 -7.116 -11.981 0.661 1.00 0.00 H new ATOM 0 HZ3 TRP A 79 -4.769 -8.578 -0.450 1.00 0.00 H new ATOM 0 HH2 TRP A 79 -4.944 -10.982 -0.107 1.00 0.00 H new ATOM 1218 N GLY A 80 -11.979 -6.254 2.693 1.00 0.00 N ATOM 1219 CA GLY A 80 -13.086 -6.770 3.480 1.00 0.00 C ATOM 1220 C GLY A 80 -14.189 -5.721 3.629 1.00 0.00 C ATOM 1221 O GLY A 80 -13.971 -4.541 3.355 1.00 0.00 O ATOM 0 H GLY A 80 -12.254 -5.704 1.879 1.00 0.00 H new ATOM 0 HA2 GLY A 80 -13.491 -7.663 3.003 1.00 0.00 H new ATOM 0 HA3 GLY A 80 -12.728 -7.069 4.465 1.00 0.00 H new ATOM 1225 N ARG A 81 -15.351 -6.188 4.061 1.00 0.00 N ATOM 1226 CA ARG A 81 -16.490 -5.304 4.249 1.00 0.00 C ATOM 1227 C ARG A 81 -16.212 -4.314 5.381 1.00 0.00 C ATOM 1228 O ARG A 81 -15.143 -4.345 5.990 1.00 0.00 O ATOM 1229 CB ARG A 81 -17.756 -6.099 4.575 1.00 0.00 C ATOM 1230 CG ARG A 81 -18.792 -5.962 3.459 1.00 0.00 C ATOM 1231 CD ARG A 81 -18.656 -7.096 2.441 1.00 0.00 C ATOM 1232 NE ARG A 81 -19.848 -7.971 2.496 1.00 0.00 N ATOM 1233 CZ ARG A 81 -20.171 -8.862 1.548 1.00 0.00 C ATOM 1234 NH1 ARG A 81 -19.392 -9.001 0.466 1.00 0.00 N ATOM 1235 NH2 ARG A 81 -21.272 -9.613 1.681 1.00 0.00 N ATOM 0 H ARG A 81 -15.529 -7.167 4.286 1.00 0.00 H new ATOM 0 HA ARG A 81 -16.646 -4.761 3.317 1.00 0.00 H new ATOM 0 HB2 ARG A 81 -17.504 -7.150 4.715 1.00 0.00 H new ATOM 0 HB3 ARG A 81 -18.180 -5.745 5.515 1.00 0.00 H new ATOM 0 HG2 ARG A 81 -19.795 -5.971 3.886 1.00 0.00 H new ATOM 0 HG3 ARG A 81 -18.667 -5.002 2.958 1.00 0.00 H new ATOM 0 HD2 ARG A 81 -18.543 -6.684 1.438 1.00 0.00 H new ATOM 0 HD3 ARG A 81 -17.758 -7.677 2.650 1.00 0.00 H new ATOM 0 HE ARG A 81 -20.463 -7.891 3.306 1.00 0.00 H new ATOM 0 HH11 ARG A 81 -18.554 -8.429 0.364 1.00 0.00 H new ATOM 0 HH12 ARG A 81 -19.638 -9.679 -0.255 1.00 0.00 H new ATOM 0 HH21 ARG A 81 -21.865 -9.507 2.504 1.00 0.00 H new ATOM 0 HH22 ARG A 81 -21.517 -10.291 0.959 1.00 0.00 H new ATOM 1328 N SER A 88 -9.954 -9.502 5.713 1.00 0.00 N ATOM 1329 CA SER A 88 -8.722 -10.248 5.520 1.00 0.00 C ATOM 1330 C SER A 88 -7.641 -9.332 4.941 1.00 0.00 C ATOM 1331 O SER A 88 -7.944 -8.254 4.431 1.00 0.00 O ATOM 1332 CB SER A 88 -8.944 -11.452 4.602 1.00 0.00 C ATOM 1333 OG SER A 88 -9.226 -12.639 5.338 1.00 0.00 O ATOM 0 HA SER A 88 -8.393 -10.621 6.490 1.00 0.00 H new ATOM 0 HB2 SER A 88 -9.770 -11.242 3.922 1.00 0.00 H new ATOM 0 HB3 SER A 88 -8.057 -11.608 3.988 1.00 0.00 H new ATOM 0 HG SER A 88 -9.363 -13.384 4.717 1.00 0.00 H new ATOM 1339 N ASN A 89 -6.404 -9.795 5.039 1.00 0.00 N ATOM 1340 CA ASN A 89 -5.277 -9.031 4.532 1.00 0.00 C ATOM 1341 C ASN A 89 -4.304 -9.974 3.821 1.00 0.00 C ATOM 1342 O ASN A 89 -4.569 -11.170 3.703 1.00 0.00 O ATOM 1343 CB ASN A 89 -4.521 -8.342 5.670 1.00 0.00 C ATOM 1344 CG ASN A 89 -5.487 -7.835 6.742 1.00 0.00 C ATOM 1345 OD1 ASN A 89 -6.604 -7.429 6.466 1.00 0.00 O ATOM 1346 ND2 ASN A 89 -4.997 -7.881 7.978 1.00 0.00 N ATOM 0 H ASN A 89 -6.157 -10.690 5.462 1.00 0.00 H new ATOM 0 HA ASN A 89 -5.663 -8.276 3.847 1.00 0.00 H new ATOM 0 HB2 ASN A 89 -3.812 -9.040 6.115 1.00 0.00 H new ATOM 0 HB3 ASN A 89 -3.942 -7.508 5.274 1.00 0.00 H new ATOM 0 HD21 ASN A 89 -5.565 -7.565 8.764 1.00 0.00 H new ATOM 0 HD22 ASN A 89 -4.053 -8.233 8.140 1.00 0.00 H new ATOM 1353 N LYS A 90 -3.199 -9.402 3.367 1.00 0.00 N ATOM 1354 CA LYS A 90 -2.186 -10.177 2.672 1.00 0.00 C ATOM 1355 C LYS A 90 -0.817 -9.530 2.889 1.00 0.00 C ATOM 1356 O LYS A 90 -0.700 -8.306 2.902 1.00 0.00 O ATOM 1357 CB LYS A 90 -2.559 -10.348 1.198 1.00 0.00 C ATOM 1358 CG LYS A 90 -1.352 -10.804 0.376 1.00 0.00 C ATOM 1359 CD LYS A 90 -1.752 -11.884 -0.631 1.00 0.00 C ATOM 1360 CE LYS A 90 -1.756 -13.268 0.021 1.00 0.00 C ATOM 1361 NZ LYS A 90 -2.504 -14.233 -0.815 1.00 0.00 N ATOM 0 H LYS A 90 -2.983 -8.410 3.467 1.00 0.00 H new ATOM 0 HA LYS A 90 -2.131 -11.186 3.082 1.00 0.00 H new ATOM 0 HB2 LYS A 90 -3.363 -11.078 1.105 1.00 0.00 H new ATOM 0 HB3 LYS A 90 -2.937 -9.405 0.803 1.00 0.00 H new ATOM 0 HG2 LYS A 90 -0.923 -9.952 -0.151 1.00 0.00 H new ATOM 0 HG3 LYS A 90 -0.579 -11.190 1.041 1.00 0.00 H new ATOM 0 HD2 LYS A 90 -2.742 -11.664 -1.031 1.00 0.00 H new ATOM 0 HD3 LYS A 90 -1.059 -11.876 -1.472 1.00 0.00 H new ATOM 0 HE2 LYS A 90 -0.732 -13.615 0.159 1.00 0.00 H new ATOM 0 HE3 LYS A 90 -2.208 -13.209 1.011 1.00 0.00 H new ATOM 0 HZ1 LYS A 90 -2.497 -15.167 -0.358 1.00 0.00 H new ATOM 0 HZ2 LYS A 90 -3.486 -13.909 -0.925 1.00 0.00 H new ATOM 0 HZ3 LYS A 90 -2.056 -14.302 -1.751 1.00 0.00 H new ATOM 1375 N LEU A 91 0.185 -10.381 3.053 1.00 0.00 N ATOM 1376 CA LEU A 91 1.542 -9.908 3.268 1.00 0.00 C ATOM 1377 C LEU A 91 2.509 -10.741 2.425 1.00 0.00 C ATOM 1378 O LEU A 91 2.653 -11.943 2.645 1.00 0.00 O ATOM 1379 CB LEU A 91 1.877 -9.902 4.761 1.00 0.00 C ATOM 1380 CG LEU A 91 3.201 -9.240 5.149 1.00 0.00 C ATOM 1381 CD1 LEU A 91 3.073 -7.716 5.149 1.00 0.00 C ATOM 1382 CD2 LEU A 91 3.708 -9.773 6.491 1.00 0.00 C ATOM 0 H LEU A 91 0.084 -11.396 3.041 1.00 0.00 H new ATOM 0 HA LEU A 91 1.641 -8.874 2.938 1.00 0.00 H new ATOM 0 HB2 LEU A 91 1.071 -9.395 5.292 1.00 0.00 H new ATOM 0 HB3 LEU A 91 1.892 -10.933 5.114 1.00 0.00 H new ATOM 0 HG LEU A 91 3.946 -9.500 4.397 1.00 0.00 H new ATOM 0 HD11 LEU A 91 4.028 -7.271 5.428 1.00 0.00 H new ATOM 0 HD12 LEU A 91 2.791 -7.375 4.153 1.00 0.00 H new ATOM 0 HD13 LEU A 91 2.309 -7.415 5.866 1.00 0.00 H new ATOM 0 HD21 LEU A 91 4.650 -9.286 6.743 1.00 0.00 H new ATOM 0 HD22 LEU A 91 2.972 -9.563 7.267 1.00 0.00 H new ATOM 0 HD23 LEU A 91 3.863 -10.849 6.420 1.00 0.00 H new ATOM 1394 N GLU A 92 3.146 -10.071 1.476 1.00 0.00 N ATOM 1395 CA GLU A 92 4.094 -10.735 0.599 1.00 0.00 C ATOM 1396 C GLU A 92 5.458 -10.044 0.671 1.00 0.00 C ATOM 1397 O GLU A 92 5.533 -8.824 0.813 1.00 0.00 O ATOM 1398 CB GLU A 92 3.575 -10.774 -0.840 1.00 0.00 C ATOM 1399 CG GLU A 92 2.659 -11.980 -1.059 1.00 0.00 C ATOM 1400 CD GLU A 92 1.977 -11.909 -2.427 1.00 0.00 C ATOM 1401 OE1 GLU A 92 2.620 -12.349 -3.405 1.00 0.00 O ATOM 1402 OE2 GLU A 92 0.829 -11.416 -2.464 1.00 0.00 O ATOM 0 H GLU A 92 3.024 -9.075 1.296 1.00 0.00 H new ATOM 0 HA GLU A 92 4.212 -11.765 0.936 1.00 0.00 H new ATOM 0 HB2 GLU A 92 3.031 -9.855 -1.060 1.00 0.00 H new ATOM 0 HB3 GLU A 92 4.415 -10.820 -1.533 1.00 0.00 H new ATOM 0 HG2 GLU A 92 3.239 -12.900 -0.985 1.00 0.00 H new ATOM 0 HG3 GLU A 92 1.904 -12.015 -0.274 1.00 0.00 H new ATOM 1409 N GLN A 93 6.502 -10.853 0.570 1.00 0.00 N ATOM 1410 CA GLN A 93 7.858 -10.335 0.622 1.00 0.00 C ATOM 1411 C GLN A 93 8.352 -9.997 -0.787 1.00 0.00 C ATOM 1412 O GLN A 93 8.226 -10.808 -1.703 1.00 0.00 O ATOM 1413 CB GLN A 93 8.798 -11.327 1.309 1.00 0.00 C ATOM 1414 CG GLN A 93 10.235 -10.802 1.323 1.00 0.00 C ATOM 1415 CD GLN A 93 11.101 -11.545 0.305 1.00 0.00 C ATOM 1416 OE1 GLN A 93 11.251 -12.840 0.565 1.00 0.00 O flip ATOM 1417 NE2 GLN A 93 11.600 -10.979 -0.654 1.00 0.00 N flip ATOM 0 H GLN A 93 6.436 -11.864 0.452 1.00 0.00 H new ATOM 0 HA GLN A 93 7.854 -9.420 1.214 1.00 0.00 H new ATOM 0 HB2 GLN A 93 8.462 -11.504 2.331 1.00 0.00 H new ATOM 0 HB3 GLN A 93 8.762 -12.285 0.791 1.00 0.00 H new ATOM 0 HG2 GLN A 93 10.238 -9.735 1.099 1.00 0.00 H new ATOM 0 HG3 GLN A 93 10.659 -10.919 2.320 1.00 0.00 H new ATOM 0 HE21 GLN A 93 11.444 -9.981 -0.795 1.00 0.00 H new ATOM 0 HE22 GLN A 93 12.173 -11.504 -1.315 1.00 0.00 H new ATOM 1426 N MET A 94 8.903 -8.799 -0.914 1.00 0.00 N ATOM 1427 CA MET A 94 9.416 -8.344 -2.195 1.00 0.00 C ATOM 1428 C MET A 94 10.929 -8.550 -2.285 1.00 0.00 C ATOM 1429 O MET A 94 11.634 -8.446 -1.282 1.00 0.00 O ATOM 1430 CB MET A 94 9.091 -6.860 -2.378 1.00 0.00 C ATOM 1431 CG MET A 94 7.637 -6.666 -2.812 1.00 0.00 C ATOM 1432 SD MET A 94 7.471 -7.000 -4.558 1.00 0.00 S ATOM 1433 CE MET A 94 6.162 -8.212 -4.519 1.00 0.00 C ATOM 0 H MET A 94 9.005 -8.130 -0.151 1.00 0.00 H new ATOM 0 HA MET A 94 8.941 -8.929 -2.983 1.00 0.00 H new ATOM 0 HB2 MET A 94 9.269 -6.327 -1.444 1.00 0.00 H new ATOM 0 HB3 MET A 94 9.758 -6.427 -3.124 1.00 0.00 H new ATOM 0 HG2 MET A 94 6.987 -7.331 -2.243 1.00 0.00 H new ATOM 0 HG3 MET A 94 7.317 -5.646 -2.596 1.00 0.00 H new ATOM 0 HE1 MET A 94 5.726 -8.308 -5.513 1.00 0.00 H new ATOM 0 HE2 MET A 94 6.566 -9.174 -4.205 1.00 0.00 H new ATOM 0 HE3 MET A 94 5.393 -7.895 -3.815 1.00 0.00 H new ATOM 1443 N PRO A 95 11.396 -8.848 -3.527 1.00 0.00 N ATOM 1444 CA PRO A 95 12.813 -9.070 -3.760 1.00 0.00 C ATOM 1445 C PRO A 95 13.585 -7.749 -3.749 1.00 0.00 C ATOM 1446 O PRO A 95 14.560 -7.602 -3.014 1.00 0.00 O ATOM 1447 CB PRO A 95 12.884 -9.788 -5.098 1.00 0.00 C ATOM 1448 CG PRO A 95 11.551 -9.528 -5.781 1.00 0.00 C ATOM 1449 CD PRO A 95 10.591 -8.981 -4.737 1.00 0.00 C ATOM 0 HA PRO A 95 13.279 -9.668 -2.977 1.00 0.00 H new ATOM 0 HB2 PRO A 95 13.711 -9.412 -5.700 1.00 0.00 H new ATOM 0 HB3 PRO A 95 13.050 -10.856 -4.960 1.00 0.00 H new ATOM 0 HG2 PRO A 95 11.673 -8.816 -6.598 1.00 0.00 H new ATOM 0 HG3 PRO A 95 11.159 -10.448 -6.215 1.00 0.00 H new ATOM 0 HD2 PRO A 95 10.177 -8.021 -5.044 1.00 0.00 H new ATOM 0 HD3 PRO A 95 9.749 -9.656 -4.581 1.00 0.00 H new ATOM 1457 N SER A 96 13.118 -6.821 -4.572 1.00 0.00 N ATOM 1458 CA SER A 96 13.752 -5.517 -4.666 1.00 0.00 C ATOM 1459 C SER A 96 12.740 -4.418 -4.335 1.00 0.00 C ATOM 1460 O SER A 96 11.534 -4.660 -4.335 1.00 0.00 O ATOM 1461 CB SER A 96 14.344 -5.291 -6.058 1.00 0.00 C ATOM 1462 OG SER A 96 15.380 -4.314 -6.046 1.00 0.00 O ATOM 0 H SER A 96 12.308 -6.947 -5.179 1.00 0.00 H new ATOM 0 HA SER A 96 14.568 -5.481 -3.944 1.00 0.00 H new ATOM 0 HB2 SER A 96 14.738 -6.232 -6.441 1.00 0.00 H new ATOM 0 HB3 SER A 96 13.555 -4.974 -6.740 1.00 0.00 H new ATOM 0 HG SER A 96 15.733 -4.200 -6.953 1.00 0.00 H new ATOM 1468 N LYS A 97 13.268 -3.235 -4.060 1.00 0.00 N ATOM 1469 CA LYS A 97 12.426 -2.098 -3.728 1.00 0.00 C ATOM 1470 C LYS A 97 11.437 -1.851 -4.869 1.00 0.00 C ATOM 1471 O LYS A 97 10.254 -1.615 -4.629 1.00 0.00 O ATOM 1472 CB LYS A 97 13.283 -0.879 -3.382 1.00 0.00 C ATOM 1473 CG LYS A 97 12.414 0.365 -3.189 1.00 0.00 C ATOM 1474 CD LYS A 97 13.023 1.575 -3.901 1.00 0.00 C ATOM 1475 CE LYS A 97 13.173 2.757 -2.941 1.00 0.00 C ATOM 1476 NZ LYS A 97 12.609 3.987 -3.541 1.00 0.00 N ATOM 0 H LYS A 97 14.269 -3.039 -4.060 1.00 0.00 H new ATOM 0 HA LYS A 97 11.837 -2.308 -2.835 1.00 0.00 H new ATOM 0 HB2 LYS A 97 13.850 -1.075 -2.472 1.00 0.00 H new ATOM 0 HB3 LYS A 97 14.007 -0.701 -4.177 1.00 0.00 H new ATOM 0 HG2 LYS A 97 11.412 0.177 -3.576 1.00 0.00 H new ATOM 0 HG3 LYS A 97 12.310 0.579 -2.125 1.00 0.00 H new ATOM 0 HD2 LYS A 97 13.997 1.308 -4.310 1.00 0.00 H new ATOM 0 HD3 LYS A 97 12.392 1.862 -4.742 1.00 0.00 H new ATOM 0 HE2 LYS A 97 12.665 2.537 -2.002 1.00 0.00 H new ATOM 0 HE3 LYS A 97 14.226 2.910 -2.705 1.00 0.00 H new ATOM 0 HZ1 LYS A 97 12.964 4.818 -3.027 1.00 0.00 H new ATOM 0 HZ2 LYS A 97 12.895 4.049 -4.539 1.00 0.00 H new ATOM 0 HZ3 LYS A 97 11.571 3.959 -3.479 1.00 0.00 H new ATOM 1490 N GLU A 98 11.958 -1.914 -6.085 1.00 0.00 N ATOM 1491 CA GLU A 98 11.136 -1.700 -7.264 1.00 0.00 C ATOM 1492 C GLU A 98 9.982 -2.705 -7.295 1.00 0.00 C ATOM 1493 O GLU A 98 8.815 -2.317 -7.257 1.00 0.00 O ATOM 1494 CB GLU A 98 11.974 -1.788 -8.541 1.00 0.00 C ATOM 1495 CG GLU A 98 12.953 -0.616 -8.635 1.00 0.00 C ATOM 1496 CD GLU A 98 12.853 0.075 -9.996 1.00 0.00 C ATOM 1497 OE1 GLU A 98 11.744 0.035 -10.572 1.00 0.00 O ATOM 1498 OE2 GLU A 98 13.887 0.627 -10.430 1.00 0.00 O ATOM 0 H GLU A 98 12.940 -2.110 -6.280 1.00 0.00 H new ATOM 0 HA GLU A 98 10.717 -0.695 -7.213 1.00 0.00 H new ATOM 0 HB2 GLU A 98 12.525 -2.729 -8.555 1.00 0.00 H new ATOM 0 HB3 GLU A 98 11.318 -1.790 -9.412 1.00 0.00 H new ATOM 0 HG2 GLU A 98 12.743 0.102 -7.842 1.00 0.00 H new ATOM 0 HG3 GLU A 98 13.971 -0.974 -8.479 1.00 0.00 H new ATOM 1505 N ASP A 99 10.348 -3.976 -7.365 1.00 0.00 N ATOM 1506 CA ASP A 99 9.359 -5.039 -7.402 1.00 0.00 C ATOM 1507 C ASP A 99 8.248 -4.732 -6.396 1.00 0.00 C ATOM 1508 O ASP A 99 7.104 -5.144 -6.583 1.00 0.00 O ATOM 1509 CB ASP A 99 9.981 -6.385 -7.022 1.00 0.00 C ATOM 1510 CG ASP A 99 11.010 -6.925 -8.017 1.00 0.00 C ATOM 1511 OD1 ASP A 99 12.022 -6.222 -8.225 1.00 0.00 O ATOM 1512 OD2 ASP A 99 10.760 -8.029 -8.548 1.00 0.00 O ATOM 0 H ASP A 99 11.317 -4.294 -7.397 1.00 0.00 H new ATOM 0 HA ASP A 99 8.965 -5.097 -8.417 1.00 0.00 H new ATOM 0 HB2 ASP A 99 10.458 -6.286 -6.047 1.00 0.00 H new ATOM 0 HB3 ASP A 99 9.183 -7.119 -6.913 1.00 0.00 H new ATOM 1517 N ALA A 100 8.623 -4.009 -5.351 1.00 0.00 N ATOM 1518 CA ALA A 100 7.673 -3.641 -4.315 1.00 0.00 C ATOM 1519 C ALA A 100 6.822 -2.467 -4.803 1.00 0.00 C ATOM 1520 O ALA A 100 5.594 -2.539 -4.792 1.00 0.00 O ATOM 1521 CB ALA A 100 8.426 -3.318 -3.023 1.00 0.00 C ATOM 0 H ALA A 100 9.572 -3.668 -5.199 1.00 0.00 H new ATOM 0 HA ALA A 100 6.999 -4.470 -4.101 1.00 0.00 H new ATOM 0 HB1 ALA A 100 7.713 -3.042 -2.246 1.00 0.00 H new ATOM 0 HB2 ALA A 100 8.991 -4.193 -2.703 1.00 0.00 H new ATOM 0 HB3 ALA A 100 9.111 -2.488 -3.199 1.00 0.00 H new ATOM 1527 N ILE A 101 7.509 -1.413 -5.221 1.00 0.00 N ATOM 1528 CA ILE A 101 6.831 -0.225 -5.712 1.00 0.00 C ATOM 1529 C ILE A 101 5.865 -0.621 -6.830 1.00 0.00 C ATOM 1530 O ILE A 101 4.711 -0.195 -6.838 1.00 0.00 O ATOM 1531 CB ILE A 101 7.849 0.839 -6.126 1.00 0.00 C ATOM 1532 CG1 ILE A 101 8.513 1.469 -4.901 1.00 0.00 C ATOM 1533 CG2 ILE A 101 7.205 1.890 -7.033 1.00 0.00 C ATOM 1534 CD1 ILE A 101 10.036 1.491 -5.052 1.00 0.00 C ATOM 0 H ILE A 101 8.527 -1.357 -5.230 1.00 0.00 H new ATOM 0 HA ILE A 101 6.234 0.229 -4.921 1.00 0.00 H new ATOM 0 HB ILE A 101 8.635 0.353 -6.704 1.00 0.00 H new ATOM 0 HG12 ILE A 101 8.143 2.485 -4.765 1.00 0.00 H new ATOM 0 HG13 ILE A 101 8.241 0.908 -4.007 1.00 0.00 H new ATOM 0 HG21 ILE A 101 7.950 2.635 -7.313 1.00 0.00 H new ATOM 0 HG22 ILE A 101 6.819 1.408 -7.931 1.00 0.00 H new ATOM 0 HG23 ILE A 101 6.387 2.377 -6.502 1.00 0.00 H new ATOM 0 HD11 ILE A 101 10.483 1.944 -4.167 1.00 0.00 H new ATOM 0 HD12 ILE A 101 10.405 0.472 -5.163 1.00 0.00 H new ATOM 0 HD13 ILE A 101 10.306 2.073 -5.933 1.00 0.00 H new ATOM 1546 N GLU A 102 6.372 -1.431 -7.748 1.00 0.00 N ATOM 1547 CA GLU A 102 5.568 -1.888 -8.869 1.00 0.00 C ATOM 1548 C GLU A 102 4.267 -2.519 -8.367 1.00 0.00 C ATOM 1549 O GLU A 102 3.186 -2.194 -8.856 1.00 0.00 O ATOM 1550 CB GLU A 102 6.352 -2.870 -9.741 1.00 0.00 C ATOM 1551 CG GLU A 102 7.717 -2.295 -10.123 1.00 0.00 C ATOM 1552 CD GLU A 102 8.114 -2.717 -11.539 1.00 0.00 C ATOM 1553 OE1 GLU A 102 8.315 -3.935 -11.733 1.00 0.00 O ATOM 1554 OE2 GLU A 102 8.206 -1.812 -12.396 1.00 0.00 O ATOM 0 H GLU A 102 7.329 -1.783 -7.738 1.00 0.00 H new ATOM 0 HA GLU A 102 5.316 -1.025 -9.486 1.00 0.00 H new ATOM 0 HB2 GLU A 102 6.486 -3.810 -9.206 1.00 0.00 H new ATOM 0 HB3 GLU A 102 5.783 -3.095 -10.643 1.00 0.00 H new ATOM 0 HG2 GLU A 102 7.688 -1.207 -10.059 1.00 0.00 H new ATOM 0 HG3 GLU A 102 8.471 -2.636 -9.413 1.00 0.00 H new ATOM 1561 N HIS A 103 4.415 -3.408 -7.396 1.00 0.00 N ATOM 1562 CA HIS A 103 3.265 -4.087 -6.822 1.00 0.00 C ATOM 1563 C HIS A 103 2.307 -3.056 -6.222 1.00 0.00 C ATOM 1564 O HIS A 103 1.136 -3.002 -6.594 1.00 0.00 O ATOM 1565 CB HIS A 103 3.708 -5.145 -5.809 1.00 0.00 C ATOM 1566 CG HIS A 103 2.842 -6.381 -5.793 1.00 0.00 C ATOM 1567 ND1 HIS A 103 2.186 -6.852 -6.917 1.00 0.00 N ATOM 1568 CD2 HIS A 103 2.531 -7.238 -4.778 1.00 0.00 C ATOM 1569 CE1 HIS A 103 1.513 -7.943 -6.582 1.00 0.00 C ATOM 1570 NE2 HIS A 103 1.728 -8.181 -5.256 1.00 0.00 N ATOM 0 H HIS A 103 5.313 -3.674 -6.992 1.00 0.00 H new ATOM 0 HA HIS A 103 2.726 -4.621 -7.605 1.00 0.00 H new ATOM 0 HB2 HIS A 103 4.735 -5.436 -6.029 1.00 0.00 H new ATOM 0 HB3 HIS A 103 3.709 -4.702 -4.813 1.00 0.00 H new ATOM 0 HD2 HIS A 103 2.879 -7.162 -3.758 1.00 0.00 H new ATOM 0 HE1 HIS A 103 0.901 -8.539 -7.243 1.00 0.00 H new ATOM 0 HE2 HIS A 103 1.336 -8.956 -4.720 1.00 0.00 H new ATOM 1578 N PHE A 104 2.840 -2.264 -5.304 1.00 0.00 N ATOM 1579 CA PHE A 104 2.047 -1.238 -4.649 1.00 0.00 C ATOM 1580 C PHE A 104 1.487 -0.244 -5.668 1.00 0.00 C ATOM 1581 O PHE A 104 0.427 0.342 -5.452 1.00 0.00 O ATOM 1582 CB PHE A 104 2.981 -0.495 -3.691 1.00 0.00 C ATOM 1583 CG PHE A 104 2.282 0.569 -2.842 1.00 0.00 C ATOM 1584 CD1 PHE A 104 1.439 0.196 -1.842 1.00 0.00 C ATOM 1585 CD2 PHE A 104 2.504 1.889 -3.088 1.00 0.00 C ATOM 1586 CE1 PHE A 104 0.791 1.184 -1.054 1.00 0.00 C ATOM 1587 CE2 PHE A 104 1.855 2.876 -2.301 1.00 0.00 C ATOM 1588 CZ PHE A 104 1.013 2.503 -1.300 1.00 0.00 C ATOM 0 H PHE A 104 3.812 -2.312 -4.998 1.00 0.00 H new ATOM 0 HA PHE A 104 1.206 -1.695 -4.127 1.00 0.00 H new ATOM 0 HB2 PHE A 104 3.457 -1.219 -3.029 1.00 0.00 H new ATOM 0 HB3 PHE A 104 3.775 -0.021 -4.268 1.00 0.00 H new ATOM 0 HD1 PHE A 104 1.262 -0.851 -1.647 1.00 0.00 H new ATOM 0 HD2 PHE A 104 3.174 2.185 -3.882 1.00 0.00 H new ATOM 0 HE1 PHE A 104 0.122 0.888 -0.260 1.00 0.00 H new ATOM 0 HE2 PHE A 104 2.030 3.924 -2.497 1.00 0.00 H new ATOM 0 HZ PHE A 104 0.521 3.254 -0.700 1.00 0.00 H new ATOM 1598 N MET A 105 2.223 -0.085 -6.759 1.00 0.00 N ATOM 1599 CA MET A 105 1.812 0.828 -7.812 1.00 0.00 C ATOM 1600 C MET A 105 0.682 0.226 -8.650 1.00 0.00 C ATOM 1601 O MET A 105 -0.282 0.913 -8.984 1.00 0.00 O ATOM 1602 CB MET A 105 3.008 1.136 -8.715 1.00 0.00 C ATOM 1603 CG MET A 105 3.735 2.400 -8.249 1.00 0.00 C ATOM 1604 SD MET A 105 3.713 3.629 -9.543 1.00 0.00 S ATOM 1605 CE MET A 105 4.581 2.743 -10.827 1.00 0.00 C ATOM 0 H MET A 105 3.101 -0.573 -6.936 1.00 0.00 H new ATOM 0 HA MET A 105 1.447 1.745 -7.350 1.00 0.00 H new ATOM 0 HB2 MET A 105 3.698 0.292 -8.711 1.00 0.00 H new ATOM 0 HB3 MET A 105 2.669 1.265 -9.743 1.00 0.00 H new ATOM 0 HG2 MET A 105 3.257 2.795 -7.353 1.00 0.00 H new ATOM 0 HG3 MET A 105 4.764 2.160 -7.982 1.00 0.00 H new ATOM 0 HE1 MET A 105 5.159 3.446 -11.427 1.00 0.00 H new ATOM 0 HE2 MET A 105 5.253 2.013 -10.375 1.00 0.00 H new ATOM 0 HE3 MET A 105 3.862 2.228 -11.464 1.00 0.00 H new ATOM 1615 N LYS A 106 0.838 -1.052 -8.965 1.00 0.00 N ATOM 1616 CA LYS A 106 -0.157 -1.754 -9.757 1.00 0.00 C ATOM 1617 C LYS A 106 -1.356 -2.100 -8.872 1.00 0.00 C ATOM 1618 O LYS A 106 -2.501 -1.858 -9.249 1.00 0.00 O ATOM 1619 CB LYS A 106 0.467 -2.968 -10.448 1.00 0.00 C ATOM 1620 CG LYS A 106 -0.546 -4.107 -10.577 1.00 0.00 C ATOM 1621 CD LYS A 106 0.101 -5.350 -11.192 1.00 0.00 C ATOM 1622 CE LYS A 106 -0.425 -5.599 -12.607 1.00 0.00 C ATOM 1623 NZ LYS A 106 0.107 -6.872 -13.141 1.00 0.00 N ATOM 0 H LYS A 106 1.639 -1.619 -8.686 1.00 0.00 H new ATOM 0 HA LYS A 106 -0.526 -1.114 -10.559 1.00 0.00 H new ATOM 0 HB2 LYS A 106 0.827 -2.683 -11.437 1.00 0.00 H new ATOM 0 HB3 LYS A 106 1.333 -3.309 -9.880 1.00 0.00 H new ATOM 0 HG2 LYS A 106 -0.951 -4.352 -9.595 1.00 0.00 H new ATOM 0 HG3 LYS A 106 -1.384 -3.785 -11.196 1.00 0.00 H new ATOM 0 HD2 LYS A 106 1.183 -5.225 -11.219 1.00 0.00 H new ATOM 0 HD3 LYS A 106 -0.104 -6.218 -10.566 1.00 0.00 H new ATOM 0 HE2 LYS A 106 -1.515 -5.629 -12.596 1.00 0.00 H new ATOM 0 HE3 LYS A 106 -0.136 -4.775 -13.259 1.00 0.00 H new ATOM 0 HZ1 LYS A 106 -0.260 -7.026 -14.102 1.00 0.00 H new ATOM 0 HZ2 LYS A 106 1.146 -6.829 -13.170 1.00 0.00 H new ATOM 0 HZ3 LYS A 106 -0.190 -7.657 -12.527 1.00 0.00 H new ATOM 1637 N LEU A 107 -1.052 -2.660 -7.710 1.00 0.00 N ATOM 1638 CA LEU A 107 -2.090 -3.041 -6.768 1.00 0.00 C ATOM 1639 C LEU A 107 -3.095 -1.895 -6.632 1.00 0.00 C ATOM 1640 O LEU A 107 -4.288 -2.080 -6.867 1.00 0.00 O ATOM 1641 CB LEU A 107 -1.473 -3.479 -5.438 1.00 0.00 C ATOM 1642 CG LEU A 107 -1.054 -4.948 -5.345 1.00 0.00 C ATOM 1643 CD1 LEU A 107 -2.277 -5.862 -5.249 1.00 0.00 C ATOM 1644 CD2 LEU A 107 -0.141 -5.333 -6.511 1.00 0.00 C ATOM 0 H LEU A 107 -0.101 -2.859 -7.400 1.00 0.00 H new ATOM 0 HA LEU A 107 -2.640 -3.906 -7.137 1.00 0.00 H new ATOM 0 HB2 LEU A 107 -0.598 -2.859 -5.245 1.00 0.00 H new ATOM 0 HB3 LEU A 107 -2.190 -3.275 -4.643 1.00 0.00 H new ATOM 0 HG LEU A 107 -0.479 -5.082 -4.428 1.00 0.00 H new ATOM 0 HD11 LEU A 107 -1.951 -6.900 -5.184 1.00 0.00 H new ATOM 0 HD12 LEU A 107 -2.853 -5.606 -4.360 1.00 0.00 H new ATOM 0 HD13 LEU A 107 -2.899 -5.732 -6.135 1.00 0.00 H new ATOM 0 HD21 LEU A 107 0.142 -6.382 -6.421 1.00 0.00 H new ATOM 0 HD22 LEU A 107 -0.669 -5.179 -7.452 1.00 0.00 H new ATOM 0 HD23 LEU A 107 0.755 -4.713 -6.492 1.00 0.00 H new ATOM 1656 N TYR A 108 -2.575 -0.737 -6.253 1.00 0.00 N ATOM 1657 CA TYR A 108 -3.411 0.439 -6.083 1.00 0.00 C ATOM 1658 C TYR A 108 -4.201 0.739 -7.358 1.00 0.00 C ATOM 1659 O TYR A 108 -5.193 1.466 -7.322 1.00 0.00 O ATOM 1660 CB TYR A 108 -2.455 1.600 -5.803 1.00 0.00 C ATOM 1661 CG TYR A 108 -3.156 2.911 -5.445 1.00 0.00 C ATOM 1662 CD1 TYR A 108 -3.812 3.035 -4.236 1.00 0.00 C ATOM 1663 CD2 TYR A 108 -3.134 3.970 -6.329 1.00 0.00 C ATOM 1664 CE1 TYR A 108 -4.472 4.270 -3.899 1.00 0.00 C ATOM 1665 CE2 TYR A 108 -3.794 5.205 -5.992 1.00 0.00 C ATOM 1666 CZ TYR A 108 -4.431 5.294 -4.793 1.00 0.00 C ATOM 1667 OH TYR A 108 -5.054 6.459 -4.474 1.00 0.00 O ATOM 0 H TYR A 108 -1.585 -0.588 -6.059 1.00 0.00 H new ATOM 0 HA TYR A 108 -4.129 0.286 -5.277 1.00 0.00 H new ATOM 0 HB2 TYR A 108 -1.790 1.321 -4.986 1.00 0.00 H new ATOM 0 HB3 TYR A 108 -1.830 1.762 -6.681 1.00 0.00 H new ATOM 0 HD1 TYR A 108 -3.830 2.206 -3.544 1.00 0.00 H new ATOM 0 HD2 TYR A 108 -2.621 3.873 -7.275 1.00 0.00 H new ATOM 0 HE1 TYR A 108 -4.988 4.380 -2.957 1.00 0.00 H new ATOM 0 HE2 TYR A 108 -3.784 6.041 -6.675 1.00 0.00 H new ATOM 0 HH TYR A 108 -4.941 7.101 -5.206 1.00 0.00 H new ATOM 1677 N GLU A 109 -3.731 0.166 -8.456 1.00 0.00 N ATOM 1678 CA GLU A 109 -4.380 0.363 -9.741 1.00 0.00 C ATOM 1679 C GLU A 109 -5.348 -0.787 -10.028 1.00 0.00 C ATOM 1680 O GLU A 109 -6.245 -0.655 -10.860 1.00 0.00 O ATOM 1681 CB GLU A 109 -3.348 0.505 -10.861 1.00 0.00 C ATOM 1682 CG GLU A 109 -4.017 0.438 -12.235 1.00 0.00 C ATOM 1683 CD GLU A 109 -2.983 0.563 -13.356 1.00 0.00 C ATOM 1684 OE1 GLU A 109 -2.362 -0.474 -13.673 1.00 0.00 O ATOM 1685 OE2 GLU A 109 -2.837 1.693 -13.870 1.00 0.00 O ATOM 0 H GLU A 109 -2.908 -0.435 -8.482 1.00 0.00 H new ATOM 0 HA GLU A 109 -4.951 1.291 -9.700 1.00 0.00 H new ATOM 0 HB2 GLU A 109 -2.820 1.453 -10.756 1.00 0.00 H new ATOM 0 HB3 GLU A 109 -2.603 -0.286 -10.776 1.00 0.00 H new ATOM 0 HG2 GLU A 109 -4.555 -0.504 -12.336 1.00 0.00 H new ATOM 0 HG3 GLU A 109 -4.753 1.237 -12.324 1.00 0.00 H new ATOM 1692 N GLU A 110 -5.133 -1.889 -9.325 1.00 0.00 N ATOM 1693 CA GLU A 110 -5.975 -3.061 -9.495 1.00 0.00 C ATOM 1694 C GLU A 110 -7.385 -2.781 -8.973 1.00 0.00 C ATOM 1695 O GLU A 110 -8.353 -3.385 -9.434 1.00 0.00 O ATOM 1696 CB GLU A 110 -5.365 -4.279 -8.799 1.00 0.00 C ATOM 1697 CG GLU A 110 -5.968 -4.476 -7.407 1.00 0.00 C ATOM 1698 CD GLU A 110 -5.420 -5.741 -6.745 1.00 0.00 C ATOM 1699 OE1 GLU A 110 -4.353 -6.204 -7.202 1.00 0.00 O ATOM 1700 OE2 GLU A 110 -6.080 -6.217 -5.796 1.00 0.00 O ATOM 0 H GLU A 110 -4.388 -1.995 -8.636 1.00 0.00 H new ATOM 0 HA GLU A 110 -6.041 -3.286 -10.559 1.00 0.00 H new ATOM 0 HB2 GLU A 110 -5.536 -5.170 -9.403 1.00 0.00 H new ATOM 0 HB3 GLU A 110 -4.286 -4.152 -8.717 1.00 0.00 H new ATOM 0 HG2 GLU A 110 -5.745 -3.610 -6.784 1.00 0.00 H new ATOM 0 HG3 GLU A 110 -7.053 -4.542 -7.483 1.00 0.00 H new ATOM 1707 N LYS A 111 -7.458 -1.865 -8.018 1.00 0.00 N ATOM 1708 CA LYS A 111 -8.735 -1.498 -7.429 1.00 0.00 C ATOM 1709 C LYS A 111 -9.343 -0.339 -8.221 1.00 0.00 C ATOM 1710 O LYS A 111 -10.294 -0.530 -8.976 1.00 0.00 O ATOM 1711 CB LYS A 111 -8.571 -1.204 -5.937 1.00 0.00 C ATOM 1712 CG LYS A 111 -8.039 -2.430 -5.191 1.00 0.00 C ATOM 1713 CD LYS A 111 -9.051 -3.576 -5.229 1.00 0.00 C ATOM 1714 CE LYS A 111 -8.549 -4.778 -4.426 1.00 0.00 C ATOM 1715 NZ LYS A 111 -9.626 -5.311 -3.562 1.00 0.00 N ATOM 0 H LYS A 111 -6.654 -1.366 -7.638 1.00 0.00 H new ATOM 0 HA LYS A 111 -9.437 -2.330 -7.492 1.00 0.00 H new ATOM 0 HB2 LYS A 111 -7.887 -0.366 -5.801 1.00 0.00 H new ATOM 0 HB3 LYS A 111 -9.530 -0.905 -5.514 1.00 0.00 H new ATOM 0 HG2 LYS A 111 -7.100 -2.754 -5.640 1.00 0.00 H new ATOM 0 HG3 LYS A 111 -7.823 -2.165 -4.156 1.00 0.00 H new ATOM 0 HD2 LYS A 111 -10.005 -3.237 -4.825 1.00 0.00 H new ATOM 0 HD3 LYS A 111 -9.230 -3.874 -6.262 1.00 0.00 H new ATOM 0 HE2 LYS A 111 -8.201 -5.556 -5.105 1.00 0.00 H new ATOM 0 HE3 LYS A 111 -7.696 -4.484 -3.814 1.00 0.00 H new ATOM 0 HZ1 LYS A 111 -9.268 -6.126 -3.024 1.00 0.00 H new ATOM 0 HZ2 LYS A 111 -9.939 -4.571 -2.902 1.00 0.00 H new ATOM 0 HZ3 LYS A 111 -10.428 -5.611 -4.152 1.00 0.00 H new ATOM 1729 N THR A 112 -8.767 0.838 -8.022 1.00 0.00 N ATOM 1730 CA THR A 112 -9.241 2.028 -8.708 1.00 0.00 C ATOM 1731 C THR A 112 -9.258 1.800 -10.221 1.00 0.00 C ATOM 1732 O THR A 112 -10.145 2.293 -10.916 1.00 0.00 O ATOM 1733 CB THR A 112 -8.358 3.203 -8.281 1.00 0.00 C ATOM 1734 OG1 THR A 112 -7.071 2.877 -8.798 1.00 0.00 O ATOM 1735 CG2 THR A 112 -8.148 3.257 -6.766 1.00 0.00 C ATOM 0 H THR A 112 -7.977 0.993 -7.396 1.00 0.00 H new ATOM 0 HA THR A 112 -10.270 2.259 -8.434 1.00 0.00 H new ATOM 0 HB THR A 112 -8.808 4.136 -8.619 1.00 0.00 H new ATOM 0 HG1 THR A 112 -6.546 2.423 -8.106 1.00 0.00 H new ATOM 0 HG21 THR A 112 -7.515 4.108 -6.517 1.00 0.00 H new ATOM 0 HG22 THR A 112 -9.112 3.364 -6.269 1.00 0.00 H new ATOM 0 HG23 THR A 112 -7.667 2.337 -6.432 1.00 0.00 H new ATOM 1743 N GLY A 113 -8.268 1.053 -10.686 1.00 0.00 N ATOM 1744 CA GLY A 113 -8.158 0.753 -12.103 1.00 0.00 C ATOM 1745 C GLY A 113 -7.198 1.723 -12.796 1.00 0.00 C ATOM 1746 O GLY A 113 -6.781 1.485 -13.928 1.00 0.00 O ATOM 0 H GLY A 113 -7.534 0.646 -10.106 1.00 0.00 H new ATOM 0 HA2 GLY A 113 -7.806 -0.270 -12.236 1.00 0.00 H new ATOM 0 HA3 GLY A 113 -9.142 0.814 -12.569 1.00 0.00 H new ATOM 1750 N ASN A 114 -6.876 2.794 -12.086 1.00 0.00 N ATOM 1751 CA ASN A 114 -5.973 3.800 -12.618 1.00 0.00 C ATOM 1752 C ASN A 114 -4.587 3.616 -11.995 1.00 0.00 C ATOM 1753 O ASN A 114 -4.444 2.933 -10.982 1.00 0.00 O ATOM 1754 CB ASN A 114 -6.459 5.211 -12.281 1.00 0.00 C ATOM 1755 CG ASN A 114 -7.291 5.793 -13.426 1.00 0.00 C ATOM 1756 OD1 ASN A 114 -6.842 6.632 -14.189 1.00 0.00 O ATOM 1757 ND2 ASN A 114 -8.524 5.301 -13.503 1.00 0.00 N ATOM 0 H ASN A 114 -7.224 2.987 -11.147 1.00 0.00 H new ATOM 0 HA ASN A 114 -5.936 3.681 -13.701 1.00 0.00 H new ATOM 0 HB2 ASN A 114 -7.056 5.186 -11.369 1.00 0.00 H new ATOM 0 HB3 ASN A 114 -5.603 5.857 -12.084 1.00 0.00 H new ATOM 0 HD21 ASN A 114 -9.158 5.625 -14.234 1.00 0.00 H new ATOM 0 HD22 ASN A 114 -8.836 4.600 -12.831 1.00 0.00 H new ATOM 1764 N ALA A 115 -3.602 4.238 -12.627 1.00 0.00 N ATOM 1765 CA ALA A 115 -2.233 4.151 -12.148 1.00 0.00 C ATOM 1766 C ALA A 115 -2.081 5.015 -10.894 1.00 0.00 C ATOM 1767 O ALA A 115 -2.832 5.969 -10.699 1.00 0.00 O ATOM 1768 CB ALA A 115 -1.274 4.569 -13.264 1.00 0.00 C ATOM 0 H ALA A 115 -3.725 4.804 -13.467 1.00 0.00 H new ATOM 0 HA ALA A 115 -1.986 3.125 -11.874 1.00 0.00 H new ATOM 0 HB1 ALA A 115 -0.247 4.504 -12.905 1.00 0.00 H new ATOM 0 HB2 ALA A 115 -1.402 3.907 -14.120 1.00 0.00 H new ATOM 0 HB3 ALA A 115 -1.489 5.595 -13.563 1.00 0.00 H new ATOM 1774 N TRP A 116 -1.104 4.649 -10.078 1.00 0.00 N ATOM 1775 CA TRP A 116 -0.843 5.379 -8.848 1.00 0.00 C ATOM 1776 C TRP A 116 -0.478 6.817 -9.221 1.00 0.00 C ATOM 1777 O TRP A 116 -1.104 7.763 -8.745 1.00 0.00 O ATOM 1778 CB TRP A 116 0.236 4.684 -8.017 1.00 0.00 C ATOM 1779 CG TRP A 116 0.909 5.593 -6.986 1.00 0.00 C ATOM 1780 CD1 TRP A 116 1.778 6.588 -7.206 1.00 0.00 C ATOM 1781 CD2 TRP A 116 0.730 5.548 -5.554 1.00 0.00 C ATOM 1782 NE1 TRP A 116 2.172 7.186 -6.026 1.00 0.00 N ATOM 1783 CE2 TRP A 116 1.514 6.534 -4.990 1.00 0.00 C ATOM 1784 CE3 TRP A 116 -0.067 4.704 -4.762 1.00 0.00 C ATOM 1785 CZ2 TRP A 116 1.577 6.768 -3.611 1.00 0.00 C ATOM 1786 CZ3 TRP A 116 0.007 4.950 -3.386 1.00 0.00 C ATOM 1787 CH2 TRP A 116 0.791 5.938 -2.802 1.00 0.00 C ATOM 0 H TRP A 116 -0.483 3.857 -10.244 1.00 0.00 H new ATOM 0 HA TRP A 116 -1.730 5.398 -8.215 1.00 0.00 H new ATOM 0 HB2 TRP A 116 -0.209 3.833 -7.501 1.00 0.00 H new ATOM 0 HB3 TRP A 116 0.998 4.287 -8.688 1.00 0.00 H new ATOM 0 HD1 TRP A 116 2.127 6.885 -8.184 1.00 0.00 H new ATOM 0 HE1 TRP A 116 2.826 7.963 -5.932 1.00 0.00 H new ATOM 0 HE3 TRP A 116 -0.688 3.927 -5.182 1.00 0.00 H new ATOM 0 HZ2 TRP A 116 2.198 7.547 -3.194 1.00 0.00 H new ATOM 0 HZ3 TRP A 116 -0.587 4.328 -2.732 1.00 0.00 H new ATOM 0 HH2 TRP A 116 0.794 6.065 -1.729 1.00 0.00 H new ATOM 1798 N HIS A 117 0.534 6.937 -10.068 1.00 0.00 N ATOM 1799 CA HIS A 117 0.990 8.243 -10.509 1.00 0.00 C ATOM 1800 C HIS A 117 0.432 8.538 -11.903 1.00 0.00 C ATOM 1801 O HIS A 117 1.191 8.750 -12.847 1.00 0.00 O ATOM 1802 CB HIS A 117 2.516 8.334 -10.451 1.00 0.00 C ATOM 1803 CG HIS A 117 3.033 9.392 -9.504 1.00 0.00 C ATOM 1804 ND1 HIS A 117 3.827 9.095 -8.410 1.00 0.00 N ATOM 1805 CD2 HIS A 117 2.860 10.745 -9.499 1.00 0.00 C ATOM 1806 CE1 HIS A 117 4.114 10.226 -7.782 1.00 0.00 C ATOM 1807 NE2 HIS A 117 3.513 11.247 -8.459 1.00 0.00 N ATOM 0 H HIS A 117 1.051 6.150 -10.460 1.00 0.00 H new ATOM 0 HA HIS A 117 0.612 9.011 -9.834 1.00 0.00 H new ATOM 0 HB2 HIS A 117 2.916 7.366 -10.151 1.00 0.00 H new ATOM 0 HB3 HIS A 117 2.896 8.540 -11.452 1.00 0.00 H new ATOM 0 HD2 HIS A 117 2.288 11.311 -10.219 1.00 0.00 H new ATOM 0 HE1 HIS A 117 4.717 10.323 -6.891 1.00 0.00 H new ATOM 0 HE2 HIS A 117 3.558 12.234 -8.207 1.00 0.00 H new ATOM 1815 N SER A 118 -0.890 8.542 -11.987 1.00 0.00 N ATOM 1816 CA SER A 118 -1.559 8.808 -13.249 1.00 0.00 C ATOM 1817 C SER A 118 -2.006 10.270 -13.307 1.00 0.00 C ATOM 1818 O SER A 118 -1.452 11.120 -12.612 1.00 0.00 O ATOM 1819 CB SER A 118 -2.759 7.878 -13.442 1.00 0.00 C ATOM 1820 OG SER A 118 -3.926 8.370 -12.788 1.00 0.00 O ATOM 0 H SER A 118 -1.516 8.365 -11.201 1.00 0.00 H new ATOM 0 HA SER A 118 -0.853 8.619 -14.057 1.00 0.00 H new ATOM 0 HB2 SER A 118 -2.961 7.763 -14.507 1.00 0.00 H new ATOM 0 HB3 SER A 118 -2.517 6.888 -13.055 1.00 0.00 H new ATOM 0 HG SER A 118 -4.670 7.750 -12.936 1.00 0.00 H new ATOM 1826 N LYS A 119 -3.003 10.518 -14.144 1.00 0.00 N ATOM 1827 CA LYS A 119 -3.530 11.863 -14.302 1.00 0.00 C ATOM 1828 C LYS A 119 -5.059 11.809 -14.315 1.00 0.00 C ATOM 1829 O LYS A 119 -5.650 11.037 -15.069 1.00 0.00 O ATOM 1830 CB LYS A 119 -2.928 12.532 -15.540 1.00 0.00 C ATOM 1831 CG LYS A 119 -1.988 13.672 -15.144 1.00 0.00 C ATOM 1832 CD LYS A 119 -2.657 15.032 -15.355 1.00 0.00 C ATOM 1833 CE LYS A 119 -1.835 16.152 -14.713 1.00 0.00 C ATOM 1834 NZ LYS A 119 -2.339 17.476 -15.143 1.00 0.00 N ATOM 0 H LYS A 119 -3.460 9.810 -14.720 1.00 0.00 H new ATOM 0 HA LYS A 119 -3.240 12.488 -13.457 1.00 0.00 H new ATOM 0 HB2 LYS A 119 -2.383 11.794 -16.128 1.00 0.00 H new ATOM 0 HB3 LYS A 119 -3.726 12.918 -16.174 1.00 0.00 H new ATOM 0 HG2 LYS A 119 -1.699 13.563 -14.099 1.00 0.00 H new ATOM 0 HG3 LYS A 119 -1.074 13.617 -15.735 1.00 0.00 H new ATOM 0 HD2 LYS A 119 -2.770 15.224 -16.422 1.00 0.00 H new ATOM 0 HD3 LYS A 119 -3.659 15.019 -14.926 1.00 0.00 H new ATOM 0 HE2 LYS A 119 -1.886 16.072 -13.627 1.00 0.00 H new ATOM 0 HE3 LYS A 119 -0.786 16.047 -14.992 1.00 0.00 H new ATOM 0 HZ1 LYS A 119 -1.771 18.225 -14.699 1.00 0.00 H new ATOM 0 HZ2 LYS A 119 -2.268 17.555 -16.178 1.00 0.00 H new ATOM 0 HZ3 LYS A 119 -3.333 17.579 -14.855 1.00 0.00 H new ATOM 1848 N ASN A 120 -5.655 12.638 -13.471 1.00 0.00 N ATOM 1849 CA ASN A 120 -7.104 12.694 -13.375 1.00 0.00 C ATOM 1850 C ASN A 120 -7.633 11.335 -12.913 1.00 0.00 C ATOM 1851 O ASN A 120 -7.230 10.297 -13.437 1.00 0.00 O ATOM 1852 CB ASN A 120 -7.734 13.010 -14.733 1.00 0.00 C ATOM 1853 CG ASN A 120 -7.354 14.417 -15.199 1.00 0.00 C ATOM 1854 OD1 ASN A 120 -6.535 14.607 -16.083 1.00 0.00 O ATOM 1855 ND2 ASN A 120 -7.994 15.391 -14.556 1.00 0.00 N ATOM 0 H ASN A 120 -5.161 13.276 -12.847 1.00 0.00 H new ATOM 0 HA ASN A 120 -7.365 13.479 -12.665 1.00 0.00 H new ATOM 0 HB2 ASN A 120 -7.405 12.278 -15.470 1.00 0.00 H new ATOM 0 HB3 ASN A 120 -8.819 12.927 -14.663 1.00 0.00 H new ATOM 0 HD21 ASN A 120 -7.810 16.366 -14.794 1.00 0.00 H new ATOM 0 HD22 ASN A 120 -8.668 15.163 -13.825 1.00 0.00 H new ATOM 1862 N PHE A 121 -8.528 11.384 -11.938 1.00 0.00 N ATOM 1863 CA PHE A 121 -9.117 10.169 -11.400 1.00 0.00 C ATOM 1864 C PHE A 121 -10.587 10.045 -11.808 1.00 0.00 C ATOM 1865 O PHE A 121 -11.411 10.876 -11.431 1.00 0.00 O ATOM 1866 CB PHE A 121 -9.030 10.267 -9.876 1.00 0.00 C ATOM 1867 CG PHE A 121 -9.386 8.969 -9.148 1.00 0.00 C ATOM 1868 CD1 PHE A 121 -8.459 7.982 -9.025 1.00 0.00 C ATOM 1869 CD2 PHE A 121 -10.630 8.803 -8.623 1.00 0.00 C ATOM 1870 CE1 PHE A 121 -8.789 6.777 -8.349 1.00 0.00 C ATOM 1871 CE2 PHE A 121 -10.960 7.599 -7.947 1.00 0.00 C ATOM 1872 CZ PHE A 121 -10.033 6.611 -7.825 1.00 0.00 C ATOM 0 H PHE A 121 -8.860 12.246 -11.506 1.00 0.00 H new ATOM 0 HA PHE A 121 -8.587 9.297 -11.783 1.00 0.00 H new ATOM 0 HB2 PHE A 121 -8.018 10.562 -9.598 1.00 0.00 H new ATOM 0 HB3 PHE A 121 -9.697 11.058 -9.534 1.00 0.00 H new ATOM 0 HD1 PHE A 121 -7.471 8.114 -9.441 1.00 0.00 H new ATOM 0 HD2 PHE A 121 -11.366 9.587 -8.720 1.00 0.00 H new ATOM 0 HE1 PHE A 121 -8.052 5.993 -8.251 1.00 0.00 H new ATOM 0 HE2 PHE A 121 -11.947 7.467 -7.529 1.00 0.00 H new ATOM 0 HZ PHE A 121 -10.285 5.695 -7.312 1.00 0.00 H new ATOM 1882 N THR A 122 -10.869 9.000 -12.572 1.00 0.00 N ATOM 1883 CA THR A 122 -12.225 8.756 -13.035 1.00 0.00 C ATOM 1884 C THR A 122 -12.914 7.721 -12.144 1.00 0.00 C ATOM 1885 O THR A 122 -12.493 6.566 -12.088 1.00 0.00 O ATOM 1886 CB THR A 122 -12.155 8.343 -14.506 1.00 0.00 C ATOM 1887 OG1 THR A 122 -12.123 9.579 -15.213 1.00 0.00 O ATOM 1888 CG2 THR A 122 -13.442 7.671 -14.987 1.00 0.00 C ATOM 0 H THR A 122 -10.182 8.313 -12.882 1.00 0.00 H new ATOM 0 HA THR A 122 -12.836 9.656 -12.965 1.00 0.00 H new ATOM 0 HB THR A 122 -11.315 7.664 -14.653 1.00 0.00 H new ATOM 0 HG1 THR A 122 -12.076 9.404 -16.176 1.00 0.00 H new ATOM 0 HG21 THR A 122 -13.339 7.398 -16.037 1.00 0.00 H new ATOM 0 HG22 THR A 122 -13.627 6.775 -14.395 1.00 0.00 H new ATOM 0 HG23 THR A 122 -14.278 8.361 -14.872 1.00 0.00 H new ATOM 1896 N LYS A 123 -13.963 8.170 -11.471 1.00 0.00 N ATOM 1897 CA LYS A 123 -14.714 7.297 -10.586 1.00 0.00 C ATOM 1898 C LYS A 123 -15.479 6.268 -11.421 1.00 0.00 C ATOM 1899 O LYS A 123 -16.595 6.531 -11.866 1.00 0.00 O ATOM 1900 CB LYS A 123 -15.607 8.118 -9.654 1.00 0.00 C ATOM 1901 CG LYS A 123 -15.582 7.554 -8.232 1.00 0.00 C ATOM 1902 CD LYS A 123 -16.670 6.495 -8.043 1.00 0.00 C ATOM 1903 CE LYS A 123 -17.838 7.050 -7.224 1.00 0.00 C ATOM 1904 NZ LYS A 123 -18.590 8.055 -8.008 1.00 0.00 N ATOM 0 H LYS A 123 -14.311 9.128 -11.521 1.00 0.00 H new ATOM 0 HA LYS A 123 -14.038 6.742 -9.935 1.00 0.00 H new ATOM 0 HB2 LYS A 123 -15.271 9.155 -9.644 1.00 0.00 H new ATOM 0 HB3 LYS A 123 -16.630 8.118 -10.031 1.00 0.00 H new ATOM 0 HG2 LYS A 123 -14.605 7.117 -8.027 1.00 0.00 H new ATOM 0 HG3 LYS A 123 -15.727 8.361 -7.514 1.00 0.00 H new ATOM 0 HD2 LYS A 123 -17.030 6.160 -9.016 1.00 0.00 H new ATOM 0 HD3 LYS A 123 -16.251 5.623 -7.541 1.00 0.00 H new ATOM 0 HE2 LYS A 123 -18.503 6.237 -6.931 1.00 0.00 H new ATOM 0 HE3 LYS A 123 -17.463 7.502 -6.306 1.00 0.00 H new ATOM 0 HZ1 LYS A 123 -19.379 8.421 -7.437 1.00 0.00 H new ATOM 0 HZ2 LYS A 123 -17.957 8.838 -8.266 1.00 0.00 H new ATOM 0 HZ3 LYS A 123 -18.964 7.613 -8.872 1.00 0.00 H new ATOM 1918 N TYR A 124 -14.848 5.118 -11.608 1.00 0.00 N ATOM 1919 CA TYR A 124 -15.455 4.048 -12.381 1.00 0.00 C ATOM 1920 C TYR A 124 -16.384 3.201 -11.510 1.00 0.00 C ATOM 1921 O TYR A 124 -16.370 3.316 -10.286 1.00 0.00 O ATOM 1922 CB TYR A 124 -14.299 3.175 -12.873 1.00 0.00 C ATOM 1923 CG TYR A 124 -13.729 3.602 -14.227 1.00 0.00 C ATOM 1924 CD1 TYR A 124 -14.577 3.841 -15.289 1.00 0.00 C ATOM 1925 CD2 TYR A 124 -12.365 3.748 -14.386 1.00 0.00 C ATOM 1926 CE1 TYR A 124 -14.040 4.243 -16.563 1.00 0.00 C ATOM 1927 CE2 TYR A 124 -11.828 4.150 -15.660 1.00 0.00 C ATOM 1928 CZ TYR A 124 -12.692 4.378 -16.686 1.00 0.00 C ATOM 1929 OH TYR A 124 -12.185 4.757 -17.889 1.00 0.00 O ATOM 0 H TYR A 124 -13.922 4.904 -11.237 1.00 0.00 H new ATOM 0 HA TYR A 124 -16.049 4.455 -13.199 1.00 0.00 H new ATOM 0 HB2 TYR A 124 -13.500 3.196 -12.131 1.00 0.00 H new ATOM 0 HB3 TYR A 124 -14.642 2.143 -12.944 1.00 0.00 H new ATOM 0 HD1 TYR A 124 -15.644 3.727 -15.165 1.00 0.00 H new ATOM 0 HD2 TYR A 124 -11.701 3.561 -13.555 1.00 0.00 H new ATOM 0 HE1 TYR A 124 -14.693 4.433 -17.402 1.00 0.00 H new ATOM 0 HE2 TYR A 124 -10.763 4.268 -15.798 1.00 0.00 H new ATOM 0 HH TYR A 124 -11.208 4.814 -17.829 1.00 0.00 H new ATOM 1939 N PRO A 125 -17.191 2.345 -12.194 1.00 0.00 N ATOM 1940 CA PRO A 125 -18.125 1.479 -11.495 1.00 0.00 C ATOM 1941 C PRO A 125 -17.396 0.311 -10.827 1.00 0.00 C ATOM 1942 O PRO A 125 -16.697 -0.451 -11.493 1.00 0.00 O ATOM 1943 CB PRO A 125 -19.115 1.030 -12.558 1.00 0.00 C ATOM 1944 CG PRO A 125 -18.436 1.284 -13.894 1.00 0.00 C ATOM 1945 CD PRO A 125 -17.236 2.181 -13.644 1.00 0.00 C ATOM 0 HA PRO A 125 -18.639 1.987 -10.679 1.00 0.00 H new ATOM 0 HB2 PRO A 125 -19.363 -0.025 -12.440 1.00 0.00 H new ATOM 0 HB3 PRO A 125 -20.049 1.587 -12.482 1.00 0.00 H new ATOM 0 HG2 PRO A 125 -18.122 0.344 -14.347 1.00 0.00 H new ATOM 0 HG3 PRO A 125 -19.128 1.758 -14.590 1.00 0.00 H new ATOM 0 HD2 PRO A 125 -16.318 1.729 -14.020 1.00 0.00 H new ATOM 0 HD3 PRO A 125 -17.348 3.141 -14.148 1.00 0.00 H new ATOM 1953 N LYS A 126 -17.583 0.209 -9.520 1.00 0.00 N ATOM 1954 CA LYS A 126 -16.951 -0.852 -8.754 1.00 0.00 C ATOM 1955 C LYS A 126 -15.553 -0.403 -8.324 1.00 0.00 C ATOM 1956 O LYS A 126 -15.143 -0.641 -7.189 1.00 0.00 O ATOM 1957 CB LYS A 126 -16.959 -2.162 -9.546 1.00 0.00 C ATOM 1958 CG LYS A 126 -18.319 -2.394 -10.207 1.00 0.00 C ATOM 1959 CD LYS A 126 -18.546 -3.881 -10.487 1.00 0.00 C ATOM 1960 CE LYS A 126 -17.809 -4.318 -11.755 1.00 0.00 C ATOM 1961 NZ LYS A 126 -17.772 -5.795 -11.850 1.00 0.00 N ATOM 0 H LYS A 126 -18.163 0.844 -8.971 1.00 0.00 H new ATOM 0 HA LYS A 126 -17.516 -1.052 -7.844 1.00 0.00 H new ATOM 0 HB2 LYS A 126 -16.180 -2.135 -10.308 1.00 0.00 H new ATOM 0 HB3 LYS A 126 -16.727 -2.994 -8.882 1.00 0.00 H new ATOM 0 HG2 LYS A 126 -19.111 -2.017 -9.560 1.00 0.00 H new ATOM 0 HG3 LYS A 126 -18.375 -1.832 -11.139 1.00 0.00 H new ATOM 0 HD2 LYS A 126 -18.200 -4.472 -9.639 1.00 0.00 H new ATOM 0 HD3 LYS A 126 -19.613 -4.076 -10.597 1.00 0.00 H new ATOM 0 HE2 LYS A 126 -18.305 -3.904 -12.632 1.00 0.00 H new ATOM 0 HE3 LYS A 126 -16.793 -3.923 -11.747 1.00 0.00 H new ATOM 0 HZ1 LYS A 126 -17.268 -6.075 -12.716 1.00 0.00 H new ATOM 0 HZ2 LYS A 126 -17.278 -6.184 -11.021 1.00 0.00 H new ATOM 0 HZ3 LYS A 126 -18.743 -6.165 -11.879 1.00 0.00 H new ATOM 1975 N LYS A 127 -14.861 0.240 -9.253 1.00 0.00 N ATOM 1976 CA LYS A 127 -13.518 0.725 -8.984 1.00 0.00 C ATOM 1977 C LYS A 127 -13.503 1.450 -7.637 1.00 0.00 C ATOM 1978 O LYS A 127 -14.418 2.211 -7.326 1.00 0.00 O ATOM 1979 CB LYS A 127 -13.015 1.581 -10.148 1.00 0.00 C ATOM 1980 CG LYS A 127 -12.880 0.747 -11.424 1.00 0.00 C ATOM 1981 CD LYS A 127 -11.769 -0.296 -11.282 1.00 0.00 C ATOM 1982 CE LYS A 127 -11.563 -1.059 -12.592 1.00 0.00 C ATOM 1983 NZ LYS A 127 -12.156 -2.412 -12.502 1.00 0.00 N ATOM 0 H LYS A 127 -15.205 0.436 -10.193 1.00 0.00 H new ATOM 0 HA LYS A 127 -12.820 -0.109 -8.906 1.00 0.00 H new ATOM 0 HB2 LYS A 127 -13.704 2.407 -10.321 1.00 0.00 H new ATOM 0 HB3 LYS A 127 -12.050 2.019 -9.892 1.00 0.00 H new ATOM 0 HG2 LYS A 127 -13.826 0.249 -11.639 1.00 0.00 H new ATOM 0 HG3 LYS A 127 -12.664 1.401 -12.269 1.00 0.00 H new ATOM 0 HD2 LYS A 127 -10.840 0.194 -10.993 1.00 0.00 H new ATOM 0 HD3 LYS A 127 -12.022 -0.996 -10.485 1.00 0.00 H new ATOM 0 HE2 LYS A 127 -12.019 -0.510 -13.415 1.00 0.00 H new ATOM 0 HE3 LYS A 127 -10.498 -1.136 -12.811 1.00 0.00 H new ATOM 0 HZ1 LYS A 127 -12.007 -2.917 -13.399 1.00 0.00 H new ATOM 0 HZ2 LYS A 127 -11.702 -2.939 -11.729 1.00 0.00 H new ATOM 0 HZ3 LYS A 127 -13.176 -2.332 -12.314 1.00 0.00 H new ATOM 1997 N PHE A 128 -12.453 1.188 -6.872 1.00 0.00 N ATOM 1998 CA PHE A 128 -12.306 1.805 -5.565 1.00 0.00 C ATOM 1999 C PHE A 128 -11.729 3.217 -5.687 1.00 0.00 C ATOM 2000 O PHE A 128 -11.196 3.585 -6.733 1.00 0.00 O ATOM 2001 CB PHE A 128 -11.332 0.937 -4.767 1.00 0.00 C ATOM 2002 CG PHE A 128 -11.848 -0.475 -4.480 1.00 0.00 C ATOM 2003 CD1 PHE A 128 -11.791 -1.430 -5.446 1.00 0.00 C ATOM 2004 CD2 PHE A 128 -12.365 -0.774 -3.258 1.00 0.00 C ATOM 2005 CE1 PHE A 128 -12.270 -2.740 -5.180 1.00 0.00 C ATOM 2006 CE2 PHE A 128 -12.845 -2.084 -2.992 1.00 0.00 C ATOM 2007 CZ PHE A 128 -12.787 -3.039 -3.958 1.00 0.00 C ATOM 0 H PHE A 128 -11.696 0.556 -7.133 1.00 0.00 H new ATOM 0 HA PHE A 128 -13.278 1.879 -5.078 1.00 0.00 H new ATOM 0 HB2 PHE A 128 -10.393 0.865 -5.315 1.00 0.00 H new ATOM 0 HB3 PHE A 128 -11.112 1.432 -3.821 1.00 0.00 H new ATOM 0 HD1 PHE A 128 -11.381 -1.192 -6.416 1.00 0.00 H new ATOM 0 HD2 PHE A 128 -12.411 -0.016 -2.490 1.00 0.00 H new ATOM 0 HE1 PHE A 128 -12.224 -3.498 -5.947 1.00 0.00 H new ATOM 0 HE2 PHE A 128 -13.256 -2.322 -2.022 1.00 0.00 H new ATOM 0 HZ PHE A 128 -13.151 -4.035 -3.755 1.00 0.00 H new ATOM 2017 N TYR A 129 -11.856 3.969 -4.604 1.00 0.00 N ATOM 2018 CA TYR A 129 -11.354 5.333 -4.577 1.00 0.00 C ATOM 2019 C TYR A 129 -10.731 5.660 -3.218 1.00 0.00 C ATOM 2020 O TYR A 129 -10.959 4.952 -2.239 1.00 0.00 O ATOM 2021 CB TYR A 129 -12.570 6.234 -4.798 1.00 0.00 C ATOM 2022 CG TYR A 129 -13.704 6.006 -3.797 1.00 0.00 C ATOM 2023 CD1 TYR A 129 -13.606 6.511 -2.516 1.00 0.00 C ATOM 2024 CD2 TYR A 129 -14.825 5.294 -4.174 1.00 0.00 C ATOM 2025 CE1 TYR A 129 -14.674 6.296 -1.574 1.00 0.00 C ATOM 2026 CE2 TYR A 129 -15.892 5.079 -3.232 1.00 0.00 C ATOM 2027 CZ TYR A 129 -15.764 5.590 -1.979 1.00 0.00 C ATOM 2028 OH TYR A 129 -16.772 5.387 -1.089 1.00 0.00 O ATOM 0 H TYR A 129 -12.299 3.660 -3.739 1.00 0.00 H new ATOM 0 HA TYR A 129 -10.585 5.475 -5.337 1.00 0.00 H new ATOM 0 HB2 TYR A 129 -12.253 7.275 -4.741 1.00 0.00 H new ATOM 0 HB3 TYR A 129 -12.951 6.072 -5.806 1.00 0.00 H new ATOM 0 HD1 TYR A 129 -12.729 7.067 -2.220 1.00 0.00 H new ATOM 0 HD2 TYR A 129 -14.901 4.898 -5.176 1.00 0.00 H new ATOM 0 HE1 TYR A 129 -14.611 6.686 -0.569 1.00 0.00 H new ATOM 0 HE2 TYR A 129 -16.774 4.524 -3.514 1.00 0.00 H new ATOM 0 HH TYR A 129 -17.486 4.869 -1.516 1.00 0.00 H new ATOM 2038 N PRO A 130 -9.935 6.763 -3.202 1.00 0.00 N ATOM 2039 CA PRO A 130 -9.277 7.194 -1.980 1.00 0.00 C ATOM 2040 C PRO A 130 -10.273 7.855 -1.025 1.00 0.00 C ATOM 2041 O PRO A 130 -10.801 8.927 -1.318 1.00 0.00 O ATOM 2042 CB PRO A 130 -8.176 8.137 -2.437 1.00 0.00 C ATOM 2043 CG PRO A 130 -8.550 8.562 -3.847 1.00 0.00 C ATOM 2044 CD PRO A 130 -9.642 7.627 -4.342 1.00 0.00 C ATOM 0 HA PRO A 130 -8.860 6.363 -1.411 1.00 0.00 H new ATOM 0 HB2 PRO A 130 -8.102 9.000 -1.776 1.00 0.00 H new ATOM 0 HB3 PRO A 130 -7.206 7.640 -2.423 1.00 0.00 H new ATOM 0 HG2 PRO A 130 -8.899 9.594 -3.854 1.00 0.00 H new ATOM 0 HG3 PRO A 130 -7.681 8.515 -4.503 1.00 0.00 H new ATOM 0 HD2 PRO A 130 -10.526 8.182 -4.656 1.00 0.00 H new ATOM 0 HD3 PRO A 130 -9.307 7.048 -5.202 1.00 0.00 H new ATOM 2052 N LEU A 131 -10.501 7.189 0.097 1.00 0.00 N ATOM 2053 CA LEU A 131 -11.424 7.699 1.097 1.00 0.00 C ATOM 2054 C LEU A 131 -10.932 9.061 1.591 1.00 0.00 C ATOM 2055 O LEU A 131 -11.487 10.095 1.223 1.00 0.00 O ATOM 2056 CB LEU A 131 -11.622 6.674 2.215 1.00 0.00 C ATOM 2057 CG LEU A 131 -12.200 5.322 1.791 1.00 0.00 C ATOM 2058 CD1 LEU A 131 -12.162 4.322 2.949 1.00 0.00 C ATOM 2059 CD2 LEU A 131 -13.609 5.483 1.219 1.00 0.00 C ATOM 0 H LEU A 131 -10.062 6.300 0.336 1.00 0.00 H new ATOM 0 HA LEU A 131 -12.411 7.855 0.661 1.00 0.00 H new ATOM 0 HB2 LEU A 131 -10.660 6.500 2.696 1.00 0.00 H new ATOM 0 HB3 LEU A 131 -12.281 7.109 2.967 1.00 0.00 H new ATOM 0 HG LEU A 131 -11.574 4.917 0.995 1.00 0.00 H new ATOM 0 HD11 LEU A 131 -12.578 3.370 2.621 1.00 0.00 H new ATOM 0 HD12 LEU A 131 -11.131 4.176 3.270 1.00 0.00 H new ATOM 0 HD13 LEU A 131 -12.750 4.707 3.782 1.00 0.00 H new ATOM 0 HD21 LEU A 131 -13.996 4.507 0.926 1.00 0.00 H new ATOM 0 HD22 LEU A 131 -14.261 5.920 1.975 1.00 0.00 H new ATOM 0 HD23 LEU A 131 -13.575 6.137 0.348 1.00 0.00 H new ATOM 2071 N GLU A 132 -9.897 9.016 2.417 1.00 0.00 N ATOM 2072 CA GLU A 132 -9.324 10.234 2.965 1.00 0.00 C ATOM 2073 C GLU A 132 -8.439 10.920 1.923 1.00 0.00 C ATOM 2074 O GLU A 132 -7.271 10.566 1.766 1.00 0.00 O ATOM 2075 CB GLU A 132 -8.540 9.943 4.246 1.00 0.00 C ATOM 2076 CG GLU A 132 -8.990 10.859 5.385 1.00 0.00 C ATOM 2077 CD GLU A 132 -7.908 10.969 6.461 1.00 0.00 C ATOM 2078 OE1 GLU A 132 -7.044 11.859 6.308 1.00 0.00 O ATOM 2079 OE2 GLU A 132 -7.969 10.160 7.412 1.00 0.00 O ATOM 0 H GLU A 132 -9.440 8.156 2.720 1.00 0.00 H new ATOM 0 HA GLU A 132 -10.138 10.911 3.223 1.00 0.00 H new ATOM 0 HB2 GLU A 132 -8.682 8.902 4.535 1.00 0.00 H new ATOM 0 HB3 GLU A 132 -7.474 10.081 4.063 1.00 0.00 H new ATOM 0 HG2 GLU A 132 -9.218 11.849 4.991 1.00 0.00 H new ATOM 0 HG3 GLU A 132 -9.909 10.472 5.826 1.00 0.00 H new