USER MOD reduce.3.24.130724 H: found=0, std=0, add=781, rem=0, adj=22 USER MOD reduce.3.24.130724 removed 781 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 102 TYR OH : rot -50:sc= -0.593 USER MOD Set 1.2: A 110 CYS SG : rot 115:sc= -3.08! USER MOD Set 2.1: A 65 SER OG : rot 109:sc= -0.268 USER MOD Set 2.2: A 74 HIS : no HD1:sc= -2.14! C(o=-2.4!,f=-7.4!) USER MOD Set 3.1: A 26 HIS : no HD1:sc= -6.28! C(o=-6.4!,f=-7.7!) USER MOD Set 3.2: A 96 THR OG1 : rot -56:sc= -0.163 USER MOD Single : A 24 SER OG : rot 180:sc= 0 USER MOD Single : A 29 TYR OH : rot -16:sc= 1.36 USER MOD Single : A 33 MET CE :methyl -163:sc= -0.645 (180deg=-1.47) USER MOD Single : A 40 SER OG : rot 180:sc= 0 USER MOD Single : A 44 ASN : amide:sc= 0 X(o=0,f=-0.0064) USER MOD Single : A 46 SER OG : rot 180:sc= 0 USER MOD Single : A 49 THR OG1 : rot 84:sc= 0.667 USER MOD Single : A 67 LYS NZ :NH3+ 180:sc= -0.0498 (180deg=-0.0498) USER MOD Single : A 68 TYR OH : rot 81:sc= 1.27 USER MOD Single : A 69 ASN : amide:sc= -0.143 K(o=-0.14,f=-2.2!) USER MOD Single : A 73 LYS NZ :NH3+ -169:sc= 0.659 (180deg=0.49) USER MOD Single : A 76 LYS NZ :NH3+ 157:sc= -0.0229 (180deg=-0.675) USER MOD Single : A 78 MET CE :methyl 174:sc= 0 (180deg=-0.0335) USER MOD Single : A 79 THR OG1 : rot 180:sc= 0 USER MOD Single : A 84 TYR OH : rot 180:sc= 0 USER MOD Single : A 87 THR OG1 : rot 180:sc= 0 USER MOD Single : A 89 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 90 LYS NZ :NH3+ -176:sc= 0.0424 (180deg=0.0421) USER MOD Single : A 103 GLN : amide:sc= -0.347 K(o=-0.35,f=-2.1) USER MOD Single : A 104 GLN : amide:sc= -0.937 K(o=-0.94,f=-1.6!) USER MOD Single : A 105 ASN : amide:sc= -1.49! X(o=-1.5!,f=-1.2) USER MOD Single : A 106 SER OG : rot 147:sc= 0.374 USER MOD Single : A 108 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 112 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 113 SER OG : rot 180:sc= 0 USER MOD Single : A 116 THR OG1 : rot 94:sc= 1.35 USER MOD Single : A 117 THR OG1 : rot 180:sc= 0 USER MOD Single : A 119 GLN : amide:sc= -3.12! C(o=-3.1!,f=-4.5!) USER MOD Single : A 123 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD ----------------------------------------------------------------- ATOM 296 N LEU A 23 3.431 -10.597 -9.159 1.00 0.00 N ATOM 297 CA LEU A 23 3.397 -9.306 -8.479 1.00 0.00 C ATOM 298 C LEU A 23 4.400 -8.338 -9.099 1.00 0.00 C ATOM 299 O LEU A 23 4.284 -7.123 -8.940 1.00 0.00 O ATOM 300 CB LEU A 23 3.697 -9.485 -6.990 1.00 0.00 C ATOM 301 CG LEU A 23 2.856 -10.530 -6.256 1.00 0.00 C ATOM 302 CD1 LEU A 23 3.416 -10.785 -4.865 1.00 0.00 C ATOM 303 CD2 LEU A 23 1.403 -10.084 -6.175 1.00 0.00 C ATOM 0 HA LEU A 23 2.397 -8.887 -8.594 1.00 0.00 H new ATOM 0 HB2 LEU A 23 4.748 -9.752 -6.881 1.00 0.00 H new ATOM 0 HB3 LEU A 23 3.560 -8.524 -6.494 1.00 0.00 H new ATOM 0 HG LEU A 23 2.898 -11.463 -6.818 1.00 0.00 H new ATOM 0 HD11 LEU A 23 2.805 -11.531 -4.358 1.00 0.00 H new ATOM 0 HD12 LEU A 23 4.440 -11.149 -4.946 1.00 0.00 H new ATOM 0 HD13 LEU A 23 3.405 -9.857 -4.293 1.00 0.00 H new ATOM 0 HD21 LEU A 23 0.819 -10.840 -5.650 1.00 0.00 H new ATOM 0 HD22 LEU A 23 1.342 -9.139 -5.636 1.00 0.00 H new ATOM 0 HD23 LEU A 23 1.006 -9.954 -7.182 1.00 0.00 H new ATOM 315 N SER A 24 5.382 -8.885 -9.808 1.00 0.00 N ATOM 316 CA SER A 24 6.406 -8.070 -10.451 1.00 0.00 C ATOM 317 C SER A 24 5.781 -7.097 -11.445 1.00 0.00 C ATOM 318 O SER A 24 6.243 -5.966 -11.599 1.00 0.00 O ATOM 319 CB SER A 24 7.424 -8.962 -11.165 1.00 0.00 C ATOM 320 OG SER A 24 6.789 -9.802 -12.113 1.00 0.00 O ATOM 0 H SER A 24 5.490 -9.889 -9.952 1.00 0.00 H new ATOM 0 HA SER A 24 6.916 -7.495 -9.678 1.00 0.00 H new ATOM 0 HB2 SER A 24 8.168 -8.342 -11.665 1.00 0.00 H new ATOM 0 HB3 SER A 24 7.955 -9.571 -10.433 1.00 0.00 H new ATOM 0 HG SER A 24 7.461 -10.361 -12.557 1.00 0.00 H new ATOM 326 N VAL A 25 4.725 -7.545 -12.118 1.00 0.00 N ATOM 327 CA VAL A 25 4.034 -6.714 -13.097 1.00 0.00 C ATOM 328 C VAL A 25 3.560 -5.407 -12.472 1.00 0.00 C ATOM 329 O VAL A 25 3.496 -4.374 -13.140 1.00 0.00 O ATOM 330 CB VAL A 25 2.824 -7.449 -13.703 1.00 0.00 C ATOM 331 CG1 VAL A 25 3.246 -8.797 -14.269 1.00 0.00 C ATOM 332 CG2 VAL A 25 1.729 -7.619 -12.661 1.00 0.00 C ATOM 0 H VAL A 25 4.330 -8.478 -12.003 1.00 0.00 H new ATOM 0 HA VAL A 25 4.751 -6.496 -13.889 1.00 0.00 H new ATOM 0 HB VAL A 25 2.427 -6.847 -14.520 1.00 0.00 H new ATOM 0 HG11 VAL A 25 2.378 -9.302 -14.693 1.00 0.00 H new ATOM 0 HG12 VAL A 25 3.994 -8.647 -15.047 1.00 0.00 H new ATOM 0 HG13 VAL A 25 3.669 -9.410 -13.473 1.00 0.00 H new ATOM 0 HG21 VAL A 25 0.881 -8.140 -13.106 1.00 0.00 H new ATOM 0 HG22 VAL A 25 2.112 -8.200 -11.822 1.00 0.00 H new ATOM 0 HG23 VAL A 25 1.408 -6.639 -12.308 1.00 0.00 H new ATOM 342 N HIS A 26 3.229 -5.458 -11.186 1.00 0.00 N ATOM 343 CA HIS A 26 2.762 -4.277 -10.469 1.00 0.00 C ATOM 344 C HIS A 26 3.877 -3.244 -10.338 1.00 0.00 C ATOM 345 O HIS A 26 5.058 -3.571 -10.464 1.00 0.00 O ATOM 346 CB HIS A 26 2.246 -4.666 -9.083 1.00 0.00 C ATOM 347 CG HIS A 26 1.246 -5.781 -9.108 1.00 0.00 C ATOM 348 ND1 HIS A 26 0.182 -5.818 -9.983 1.00 0.00 N ATOM 349 CD2 HIS A 26 1.154 -6.904 -8.358 1.00 0.00 C ATOM 350 CE1 HIS A 26 -0.523 -6.915 -9.770 1.00 0.00 C ATOM 351 NE2 HIS A 26 0.046 -7.592 -8.789 1.00 0.00 N ATOM 0 H HIS A 26 3.275 -6.305 -10.619 1.00 0.00 H new ATOM 0 HA HIS A 26 1.946 -3.835 -11.041 1.00 0.00 H new ATOM 0 HB2 HIS A 26 3.090 -4.960 -8.459 1.00 0.00 H new ATOM 0 HB3 HIS A 26 1.792 -3.792 -8.615 1.00 0.00 H new ATOM 0 HD2 HIS A 26 1.827 -7.203 -7.568 1.00 0.00 H new ATOM 0 HE1 HIS A 26 -1.413 -7.208 -10.307 1.00 0.00 H new ATOM 0 HE2 HIS A 26 -0.284 -8.481 -8.413 1.00 0.00 H new ATOM 359 N LEU A 27 3.495 -1.997 -10.086 1.00 0.00 N ATOM 360 CA LEU A 27 4.462 -0.915 -9.939 1.00 0.00 C ATOM 361 C LEU A 27 4.940 -0.804 -8.495 1.00 0.00 C ATOM 362 O LEU A 27 6.096 -0.470 -8.237 1.00 0.00 O ATOM 363 CB LEU A 27 3.846 0.411 -10.388 1.00 0.00 C ATOM 364 CG LEU A 27 3.598 0.562 -11.890 1.00 0.00 C ATOM 365 CD1 LEU A 27 2.853 1.855 -12.180 1.00 0.00 C ATOM 366 CD2 LEU A 27 4.913 0.518 -12.655 1.00 0.00 C ATOM 0 H LEU A 27 2.522 -1.710 -9.979 1.00 0.00 H new ATOM 0 HA LEU A 27 5.321 -1.141 -10.570 1.00 0.00 H new ATOM 0 HB2 LEU A 27 2.897 0.542 -9.868 1.00 0.00 H new ATOM 0 HB3 LEU A 27 4.501 1.221 -10.065 1.00 0.00 H new ATOM 0 HG LEU A 27 2.980 -0.272 -12.223 1.00 0.00 H new ATOM 0 HD11 LEU A 27 2.685 1.946 -13.253 1.00 0.00 H new ATOM 0 HD12 LEU A 27 1.894 1.846 -11.662 1.00 0.00 H new ATOM 0 HD13 LEU A 27 3.445 2.702 -11.833 1.00 0.00 H new ATOM 0 HD21 LEU A 27 4.717 0.627 -13.722 1.00 0.00 H new ATOM 0 HD22 LEU A 27 5.557 1.331 -12.319 1.00 0.00 H new ATOM 0 HD23 LEU A 27 5.408 -0.436 -12.473 1.00 0.00 H new ATOM 378 N TRP A 28 4.043 -1.088 -7.558 1.00 0.00 N ATOM 379 CA TRP A 28 4.373 -1.022 -6.139 1.00 0.00 C ATOM 380 C TRP A 28 5.088 -2.291 -5.687 1.00 0.00 C ATOM 381 O TRP A 28 5.143 -2.592 -4.494 1.00 0.00 O ATOM 382 CB TRP A 28 3.106 -0.813 -5.308 1.00 0.00 C ATOM 383 CG TRP A 28 1.922 -1.570 -5.829 1.00 0.00 C ATOM 384 CD1 TRP A 28 0.860 -1.058 -6.517 1.00 0.00 C ATOM 385 CD2 TRP A 28 1.681 -2.976 -5.702 1.00 0.00 C ATOM 386 NE1 TRP A 28 -0.028 -2.060 -6.826 1.00 0.00 N ATOM 387 CE2 TRP A 28 0.453 -3.246 -6.338 1.00 0.00 C ATOM 388 CE3 TRP A 28 2.383 -4.032 -5.116 1.00 0.00 C ATOM 389 CZ2 TRP A 28 -0.086 -4.529 -6.400 1.00 0.00 C ATOM 390 CZ3 TRP A 28 1.847 -5.304 -5.179 1.00 0.00 C ATOM 391 CH2 TRP A 28 0.623 -5.544 -5.818 1.00 0.00 C ATOM 0 H TRP A 28 3.082 -1.366 -7.755 1.00 0.00 H new ATOM 0 HA TRP A 28 5.043 -0.175 -5.987 1.00 0.00 H new ATOM 0 HB2 TRP A 28 3.300 -1.119 -4.280 1.00 0.00 H new ATOM 0 HB3 TRP A 28 2.867 0.250 -5.285 1.00 0.00 H new ATOM 0 HD1 TRP A 28 0.736 -0.018 -6.780 1.00 0.00 H new ATOM 0 HE1 TRP A 28 -0.903 -1.940 -7.336 1.00 0.00 H new ATOM 0 HE3 TRP A 28 3.328 -3.857 -4.623 1.00 0.00 H new ATOM 0 HZ2 TRP A 28 -1.030 -4.716 -6.890 1.00 0.00 H new ATOM 0 HZ3 TRP A 28 2.381 -6.128 -4.728 1.00 0.00 H new ATOM 0 HH2 TRP A 28 0.232 -6.550 -5.852 1.00 0.00 H new ATOM 402 N TYR A 29 5.635 -3.030 -6.645 1.00 0.00 N ATOM 403 CA TYR A 29 6.345 -4.267 -6.345 1.00 0.00 C ATOM 404 C TYR A 29 7.831 -4.134 -6.665 1.00 0.00 C ATOM 405 O TYR A 29 8.257 -4.365 -7.796 1.00 0.00 O ATOM 406 CB TYR A 29 5.744 -5.430 -7.137 1.00 0.00 C ATOM 407 CG TYR A 29 6.062 -6.788 -6.554 1.00 0.00 C ATOM 408 CD1 TYR A 29 5.310 -7.311 -5.510 1.00 0.00 C ATOM 409 CD2 TYR A 29 7.116 -7.548 -7.047 1.00 0.00 C ATOM 410 CE1 TYR A 29 5.597 -8.551 -4.974 1.00 0.00 C ATOM 411 CE2 TYR A 29 7.409 -8.790 -6.518 1.00 0.00 C ATOM 412 CZ TYR A 29 6.647 -9.287 -5.481 1.00 0.00 C ATOM 413 OH TYR A 29 6.937 -10.523 -4.950 1.00 0.00 O ATOM 0 H TYR A 29 5.600 -2.794 -7.637 1.00 0.00 H new ATOM 0 HA TYR A 29 6.238 -4.468 -5.279 1.00 0.00 H new ATOM 0 HB2 TYR A 29 4.662 -5.307 -7.181 1.00 0.00 H new ATOM 0 HB3 TYR A 29 6.112 -5.389 -8.162 1.00 0.00 H new ATOM 0 HD1 TYR A 29 4.486 -6.738 -5.110 1.00 0.00 H new ATOM 0 HD2 TYR A 29 7.716 -7.161 -7.857 1.00 0.00 H new ATOM 0 HE1 TYR A 29 5.002 -8.942 -4.162 1.00 0.00 H new ATOM 0 HE2 TYR A 29 8.230 -9.369 -6.914 1.00 0.00 H new ATOM 0 HH TYR A 29 6.492 -10.619 -4.082 1.00 0.00 H new ATOM 423 N ALA A 30 8.615 -3.760 -5.659 1.00 0.00 N ATOM 424 CA ALA A 30 10.053 -3.598 -5.830 1.00 0.00 C ATOM 425 C ALA A 30 10.793 -4.894 -5.514 1.00 0.00 C ATOM 426 O ALA A 30 11.966 -4.876 -5.145 1.00 0.00 O ATOM 427 CB ALA A 30 10.566 -2.468 -4.951 1.00 0.00 C ATOM 0 H ALA A 30 8.278 -3.564 -4.717 1.00 0.00 H new ATOM 0 HA ALA A 30 10.243 -3.346 -6.873 1.00 0.00 H new ATOM 0 HB1 ALA A 30 11.642 -2.359 -5.089 1.00 0.00 H new ATOM 0 HB2 ALA A 30 10.069 -1.538 -5.227 1.00 0.00 H new ATOM 0 HB3 ALA A 30 10.356 -2.696 -3.906 1.00 0.00 H new ATOM 433 N GLY A 31 10.098 -6.018 -5.660 1.00 0.00 N ATOM 434 CA GLY A 31 10.705 -7.307 -5.385 1.00 0.00 C ATOM 435 C GLY A 31 11.585 -7.282 -4.151 1.00 0.00 C ATOM 436 O GLY A 31 11.280 -6.619 -3.159 1.00 0.00 O ATOM 0 H GLY A 31 9.125 -6.059 -5.964 1.00 0.00 H new ATOM 0 HA2 GLY A 31 9.922 -8.053 -5.254 1.00 0.00 H new ATOM 0 HA3 GLY A 31 11.299 -7.616 -6.245 1.00 0.00 H new ATOM 440 N PRO A 32 12.704 -8.019 -4.202 1.00 0.00 N ATOM 441 CA PRO A 32 13.653 -8.096 -3.088 1.00 0.00 C ATOM 442 C PRO A 32 14.407 -6.788 -2.877 1.00 0.00 C ATOM 443 O PRO A 32 15.488 -6.588 -3.430 1.00 0.00 O ATOM 444 CB PRO A 32 14.616 -9.205 -3.518 1.00 0.00 C ATOM 445 CG PRO A 32 14.542 -9.215 -5.006 1.00 0.00 C ATOM 446 CD PRO A 32 13.130 -8.834 -5.353 1.00 0.00 C ATOM 0 HA PRO A 32 13.153 -8.291 -2.140 1.00 0.00 H new ATOM 0 HB2 PRO A 32 15.630 -9.004 -3.173 1.00 0.00 H new ATOM 0 HB3 PRO A 32 14.322 -10.168 -3.101 1.00 0.00 H new ATOM 0 HG2 PRO A 32 15.253 -8.510 -5.437 1.00 0.00 H new ATOM 0 HG3 PRO A 32 14.789 -10.200 -5.402 1.00 0.00 H new ATOM 0 HD2 PRO A 32 13.083 -8.270 -6.284 1.00 0.00 H new ATOM 0 HD3 PRO A 32 12.497 -9.712 -5.480 1.00 0.00 H new ATOM 454 N MET A 33 13.831 -5.900 -2.074 1.00 0.00 N ATOM 455 CA MET A 33 14.451 -4.611 -1.789 1.00 0.00 C ATOM 456 C MET A 33 14.609 -4.404 -0.286 1.00 0.00 C ATOM 457 O MET A 33 13.740 -4.786 0.496 1.00 0.00 O ATOM 458 CB MET A 33 13.616 -3.477 -2.387 1.00 0.00 C ATOM 459 CG MET A 33 14.363 -2.156 -2.478 1.00 0.00 C ATOM 460 SD MET A 33 13.708 -1.075 -3.764 1.00 0.00 S ATOM 461 CE MET A 33 12.240 -0.440 -2.958 1.00 0.00 C ATOM 0 H MET A 33 12.936 -6.049 -1.609 1.00 0.00 H new ATOM 0 HA MET A 33 15.441 -4.603 -2.245 1.00 0.00 H new ATOM 0 HB2 MET A 33 13.285 -3.767 -3.384 1.00 0.00 H new ATOM 0 HB3 MET A 33 12.720 -3.338 -1.782 1.00 0.00 H new ATOM 0 HG2 MET A 33 14.308 -1.645 -1.517 1.00 0.00 H new ATOM 0 HG3 MET A 33 15.417 -2.352 -2.675 1.00 0.00 H new ATOM 0 HE1 MET A 33 11.574 -0.007 -3.704 1.00 0.00 H new ATOM 0 HE2 MET A 33 11.728 -1.252 -2.442 1.00 0.00 H new ATOM 0 HE3 MET A 33 12.524 0.326 -2.237 1.00 0.00 H new ATOM 471 N GLU A 34 15.724 -3.798 0.109 1.00 0.00 N ATOM 472 CA GLU A 34 15.996 -3.542 1.518 1.00 0.00 C ATOM 473 C GLU A 34 15.412 -2.200 1.950 1.00 0.00 C ATOM 474 O GLU A 34 14.986 -1.399 1.117 1.00 0.00 O ATOM 475 CB GLU A 34 17.503 -3.563 1.783 1.00 0.00 C ATOM 476 CG GLU A 34 18.089 -4.964 1.849 1.00 0.00 C ATOM 477 CD GLU A 34 17.512 -5.785 2.986 1.00 0.00 C ATOM 478 OE1 GLU A 34 18.025 -5.673 4.119 1.00 0.00 O ATOM 479 OE2 GLU A 34 16.546 -6.538 2.742 1.00 0.00 O ATOM 0 H GLU A 34 16.453 -3.475 -0.527 1.00 0.00 H new ATOM 0 HA GLU A 34 15.521 -4.331 2.101 1.00 0.00 H new ATOM 0 HB2 GLU A 34 18.010 -3.003 0.997 1.00 0.00 H new ATOM 0 HB3 GLU A 34 17.706 -3.049 2.722 1.00 0.00 H new ATOM 0 HG2 GLU A 34 17.903 -5.476 0.905 1.00 0.00 H new ATOM 0 HG3 GLU A 34 19.170 -4.896 1.967 1.00 0.00 H new ATOM 486 N ARG A 35 15.394 -1.962 3.257 1.00 0.00 N ATOM 487 CA ARG A 35 14.861 -0.718 3.801 1.00 0.00 C ATOM 488 C ARG A 35 15.542 0.490 3.163 1.00 0.00 C ATOM 489 O ARG A 35 14.880 1.379 2.631 1.00 0.00 O ATOM 490 CB ARG A 35 15.046 -0.679 5.319 1.00 0.00 C ATOM 491 CG ARG A 35 14.301 0.461 5.994 1.00 0.00 C ATOM 492 CD ARG A 35 14.473 0.422 7.504 1.00 0.00 C ATOM 493 NE ARG A 35 15.764 0.962 7.922 1.00 0.00 N ATOM 494 CZ ARG A 35 16.361 0.638 9.064 1.00 0.00 C ATOM 495 NH1 ARG A 35 15.787 -0.219 9.896 1.00 0.00 N ATOM 496 NH2 ARG A 35 17.536 1.172 9.374 1.00 0.00 N ATOM 0 H ARG A 35 15.742 -2.614 3.960 1.00 0.00 H new ATOM 0 HA ARG A 35 13.796 -0.677 3.571 1.00 0.00 H new ATOM 0 HB2 ARG A 35 14.707 -1.624 5.742 1.00 0.00 H new ATOM 0 HB3 ARG A 35 16.109 -0.592 5.545 1.00 0.00 H new ATOM 0 HG2 ARG A 35 14.666 1.414 5.610 1.00 0.00 H new ATOM 0 HG3 ARG A 35 13.241 0.402 5.746 1.00 0.00 H new ATOM 0 HD2 ARG A 35 13.672 0.992 7.975 1.00 0.00 H new ATOM 0 HD3 ARG A 35 14.380 -0.606 7.853 1.00 0.00 H new ATOM 0 HE ARG A 35 16.233 1.624 7.304 1.00 0.00 H new ATOM 0 HH11 ARG A 35 14.885 -0.632 9.660 1.00 0.00 H new ATOM 0 HH12 ARG A 35 16.248 -0.466 10.772 1.00 0.00 H new ATOM 0 HH21 ARG A 35 17.981 1.831 8.735 1.00 0.00 H new ATOM 0 HH22 ARG A 35 17.994 0.923 10.251 1.00 0.00 H new ATOM 510 N ALA A 36 16.870 0.513 3.223 1.00 0.00 N ATOM 511 CA ALA A 36 17.641 1.610 2.651 1.00 0.00 C ATOM 512 C ALA A 36 17.091 2.015 1.288 1.00 0.00 C ATOM 513 O ALA A 36 16.664 3.153 1.093 1.00 0.00 O ATOM 514 CB ALA A 36 19.107 1.221 2.536 1.00 0.00 C ATOM 0 H ALA A 36 17.434 -0.215 3.662 1.00 0.00 H new ATOM 0 HA ALA A 36 17.555 2.468 3.318 1.00 0.00 H new ATOM 0 HB1 ALA A 36 19.671 2.050 2.107 1.00 0.00 H new ATOM 0 HB2 ALA A 36 19.500 0.988 3.525 1.00 0.00 H new ATOM 0 HB3 ALA A 36 19.202 0.346 1.893 1.00 0.00 H new ATOM 520 N GLY A 37 17.105 1.077 0.346 1.00 0.00 N ATOM 521 CA GLY A 37 16.605 1.356 -0.987 1.00 0.00 C ATOM 522 C GLY A 37 15.297 2.121 -0.968 1.00 0.00 C ATOM 523 O GLY A 37 15.167 3.159 -1.616 1.00 0.00 O ATOM 0 H GLY A 37 17.454 0.128 0.483 1.00 0.00 H new ATOM 0 HA2 GLY A 37 17.350 1.930 -1.538 1.00 0.00 H new ATOM 0 HA3 GLY A 37 16.465 0.417 -1.523 1.00 0.00 H new ATOM 527 N ALA A 38 14.323 1.606 -0.225 1.00 0.00 N ATOM 528 CA ALA A 38 13.018 2.247 -0.124 1.00 0.00 C ATOM 529 C ALA A 38 13.136 3.639 0.489 1.00 0.00 C ATOM 530 O ALA A 38 12.480 4.580 0.044 1.00 0.00 O ATOM 531 CB ALA A 38 12.069 1.387 0.697 1.00 0.00 C ATOM 0 H ALA A 38 14.413 0.746 0.316 1.00 0.00 H new ATOM 0 HA ALA A 38 12.615 2.354 -1.131 1.00 0.00 H new ATOM 0 HB1 ALA A 38 11.098 1.878 0.764 1.00 0.00 H new ATOM 0 HB2 ALA A 38 11.951 0.415 0.217 1.00 0.00 H new ATOM 0 HB3 ALA A 38 12.476 1.250 1.699 1.00 0.00 H new ATOM 537 N GLU A 39 13.977 3.761 1.511 1.00 0.00 N ATOM 538 CA GLU A 39 14.179 5.038 2.185 1.00 0.00 C ATOM 539 C GLU A 39 14.870 6.037 1.261 1.00 0.00 C ATOM 540 O GLU A 39 14.706 7.249 1.404 1.00 0.00 O ATOM 541 CB GLU A 39 15.009 4.844 3.456 1.00 0.00 C ATOM 542 CG GLU A 39 14.301 4.029 4.525 1.00 0.00 C ATOM 543 CD GLU A 39 15.064 3.999 5.836 1.00 0.00 C ATOM 544 OE1 GLU A 39 16.308 3.900 5.796 1.00 0.00 O ATOM 545 OE2 GLU A 39 14.416 4.075 6.900 1.00 0.00 O ATOM 0 H GLU A 39 14.529 2.992 1.890 1.00 0.00 H new ATOM 0 HA GLU A 39 13.201 5.435 2.456 1.00 0.00 H new ATOM 0 HB2 GLU A 39 15.946 4.352 3.197 1.00 0.00 H new ATOM 0 HB3 GLU A 39 15.265 5.821 3.866 1.00 0.00 H new ATOM 0 HG2 GLU A 39 13.308 4.445 4.696 1.00 0.00 H new ATOM 0 HG3 GLU A 39 14.162 3.009 4.166 1.00 0.00 H new ATOM 552 N SER A 40 15.645 5.520 0.313 1.00 0.00 N ATOM 553 CA SER A 40 16.366 6.365 -0.632 1.00 0.00 C ATOM 554 C SER A 40 15.550 6.576 -1.904 1.00 0.00 C ATOM 555 O SER A 40 15.795 7.513 -2.663 1.00 0.00 O ATOM 556 CB SER A 40 17.719 5.741 -0.978 1.00 0.00 C ATOM 557 OG SER A 40 18.292 6.365 -2.114 1.00 0.00 O ATOM 0 H SER A 40 15.790 4.519 0.179 1.00 0.00 H new ATOM 0 HA SER A 40 16.531 7.334 -0.162 1.00 0.00 H new ATOM 0 HB2 SER A 40 18.395 5.835 -0.128 1.00 0.00 H new ATOM 0 HB3 SER A 40 17.593 4.675 -1.169 1.00 0.00 H new ATOM 0 HG SER A 40 19.157 5.950 -2.314 1.00 0.00 H new ATOM 563 N ILE A 41 14.579 5.697 -2.129 1.00 0.00 N ATOM 564 CA ILE A 41 13.726 5.786 -3.307 1.00 0.00 C ATOM 565 C ILE A 41 12.563 6.745 -3.073 1.00 0.00 C ATOM 566 O ILE A 41 12.370 7.700 -3.826 1.00 0.00 O ATOM 567 CB ILE A 41 13.167 4.407 -3.704 1.00 0.00 C ATOM 568 CG1 ILE A 41 14.281 3.526 -4.273 1.00 0.00 C ATOM 569 CG2 ILE A 41 12.039 4.562 -4.713 1.00 0.00 C ATOM 570 CD1 ILE A 41 14.062 2.048 -4.038 1.00 0.00 C ATOM 0 H ILE A 41 14.364 4.915 -1.511 1.00 0.00 H new ATOM 0 HA ILE A 41 14.348 6.164 -4.118 1.00 0.00 H new ATOM 0 HB ILE A 41 12.766 3.924 -2.813 1.00 0.00 H new ATOM 0 HG12 ILE A 41 14.364 3.707 -5.345 1.00 0.00 H new ATOM 0 HG13 ILE A 41 15.230 3.820 -3.825 1.00 0.00 H new ATOM 0 HG21 ILE A 41 11.655 3.578 -4.983 1.00 0.00 H new ATOM 0 HG22 ILE A 41 11.238 5.157 -4.274 1.00 0.00 H new ATOM 0 HG23 ILE A 41 12.415 5.062 -5.605 1.00 0.00 H new ATOM 0 HD11 ILE A 41 14.890 1.485 -4.468 1.00 0.00 H new ATOM 0 HD12 ILE A 41 14.008 1.854 -2.967 1.00 0.00 H new ATOM 0 HD13 ILE A 41 13.129 1.739 -4.510 1.00 0.00 H new ATOM 582 N LEU A 42 11.793 6.485 -2.022 1.00 0.00 N ATOM 583 CA LEU A 42 10.649 7.326 -1.686 1.00 0.00 C ATOM 584 C LEU A 42 11.105 8.642 -1.063 1.00 0.00 C ATOM 585 O LEU A 42 10.333 9.595 -0.968 1.00 0.00 O ATOM 586 CB LEU A 42 9.715 6.590 -0.724 1.00 0.00 C ATOM 587 CG LEU A 42 9.301 5.178 -1.140 1.00 0.00 C ATOM 588 CD1 LEU A 42 8.480 4.518 -0.043 1.00 0.00 C ATOM 589 CD2 LEU A 42 8.519 5.214 -2.445 1.00 0.00 C ATOM 0 H LEU A 42 11.940 5.699 -1.388 1.00 0.00 H new ATOM 0 HA LEU A 42 10.110 7.549 -2.607 1.00 0.00 H new ATOM 0 HB2 LEU A 42 10.201 6.533 0.250 1.00 0.00 H new ATOM 0 HB3 LEU A 42 8.813 7.189 -0.595 1.00 0.00 H new ATOM 0 HG LEU A 42 10.203 4.587 -1.296 1.00 0.00 H new ATOM 0 HD11 LEU A 42 8.194 3.514 -0.357 1.00 0.00 H new ATOM 0 HD12 LEU A 42 9.073 4.458 0.869 1.00 0.00 H new ATOM 0 HD13 LEU A 42 7.583 5.108 0.145 1.00 0.00 H new ATOM 0 HD21 LEU A 42 8.233 4.200 -2.726 1.00 0.00 H new ATOM 0 HD22 LEU A 42 7.623 5.822 -2.316 1.00 0.00 H new ATOM 0 HD23 LEU A 42 9.140 5.646 -3.230 1.00 0.00 H new ATOM 601 N ALA A 43 12.365 8.686 -0.643 1.00 0.00 N ATOM 602 CA ALA A 43 12.925 9.886 -0.034 1.00 0.00 C ATOM 603 C ALA A 43 12.677 11.112 -0.906 1.00 0.00 C ATOM 604 O ALA A 43 12.278 12.166 -0.412 1.00 0.00 O ATOM 605 CB ALA A 43 14.415 9.706 0.214 1.00 0.00 C ATOM 0 H ALA A 43 13.017 7.905 -0.713 1.00 0.00 H new ATOM 0 HA ALA A 43 12.425 10.045 0.921 1.00 0.00 H new ATOM 0 HB1 ALA A 43 14.820 10.610 0.669 1.00 0.00 H new ATOM 0 HB2 ALA A 43 14.573 8.861 0.884 1.00 0.00 H new ATOM 0 HB3 ALA A 43 14.921 9.518 -0.733 1.00 0.00 H new ATOM 611 N ASN A 44 12.915 10.967 -2.205 1.00 0.00 N ATOM 612 CA ASN A 44 12.718 12.063 -3.146 1.00 0.00 C ATOM 613 C ASN A 44 11.291 12.067 -3.687 1.00 0.00 C ATOM 614 O ASN A 44 10.737 13.121 -3.999 1.00 0.00 O ATOM 615 CB ASN A 44 13.714 11.955 -4.303 1.00 0.00 C ATOM 616 CG ASN A 44 15.007 12.695 -4.023 1.00 0.00 C ATOM 617 OD1 ASN A 44 15.030 13.924 -3.953 1.00 0.00 O ATOM 618 ND2 ASN A 44 16.093 11.948 -3.863 1.00 0.00 N ATOM 0 H ASN A 44 13.245 10.101 -2.630 1.00 0.00 H new ATOM 0 HA ASN A 44 12.888 12.999 -2.615 1.00 0.00 H new ATOM 0 HB2 ASN A 44 13.934 10.904 -4.493 1.00 0.00 H new ATOM 0 HB3 ASN A 44 13.259 12.354 -5.209 1.00 0.00 H new ATOM 0 HD21 ASN A 44 16.993 12.390 -3.674 1.00 0.00 H new ATOM 0 HD22 ASN A 44 16.028 10.932 -3.929 1.00 0.00 H new ATOM 625 N ARG A 45 10.703 10.880 -3.795 1.00 0.00 N ATOM 626 CA ARG A 45 9.341 10.746 -4.298 1.00 0.00 C ATOM 627 C ARG A 45 8.412 11.756 -3.631 1.00 0.00 C ATOM 628 O ARG A 45 8.812 12.466 -2.708 1.00 0.00 O ATOM 629 CB ARG A 45 8.824 9.326 -4.058 1.00 0.00 C ATOM 630 CG ARG A 45 9.546 8.269 -4.877 1.00 0.00 C ATOM 631 CD ARG A 45 9.067 8.258 -6.320 1.00 0.00 C ATOM 632 NE ARG A 45 9.750 9.262 -7.131 1.00 0.00 N ATOM 633 CZ ARG A 45 9.523 9.438 -8.428 1.00 0.00 C ATOM 634 NH1 ARG A 45 8.635 8.682 -9.058 1.00 0.00 N ATOM 635 NH2 ARG A 45 10.185 10.373 -9.098 1.00 0.00 N ATOM 0 H ARG A 45 11.148 9.998 -3.541 1.00 0.00 H new ATOM 0 HA ARG A 45 9.355 10.945 -5.370 1.00 0.00 H new ATOM 0 HB2 ARG A 45 8.925 9.086 -3.000 1.00 0.00 H new ATOM 0 HB3 ARG A 45 7.760 9.291 -4.292 1.00 0.00 H new ATOM 0 HG2 ARG A 45 10.619 8.457 -4.850 1.00 0.00 H new ATOM 0 HG3 ARG A 45 9.383 7.288 -4.431 1.00 0.00 H new ATOM 0 HD2 ARG A 45 9.234 7.270 -6.750 1.00 0.00 H new ATOM 0 HD3 ARG A 45 7.993 8.440 -6.347 1.00 0.00 H new ATOM 0 HE ARG A 45 10.439 9.861 -6.677 1.00 0.00 H new ATOM 0 HH11 ARG A 45 8.124 7.963 -8.547 1.00 0.00 H new ATOM 0 HH12 ARG A 45 8.463 8.820 -10.054 1.00 0.00 H new ATOM 0 HH21 ARG A 45 10.869 10.957 -8.617 1.00 0.00 H new ATOM 0 HH22 ARG A 45 10.010 10.507 -10.094 1.00 0.00 H new ATOM 649 N SER A 46 7.172 11.815 -4.104 1.00 0.00 N ATOM 650 CA SER A 46 6.188 12.741 -3.556 1.00 0.00 C ATOM 651 C SER A 46 5.367 12.074 -2.457 1.00 0.00 C ATOM 652 O SER A 46 4.897 10.947 -2.615 1.00 0.00 O ATOM 653 CB SER A 46 5.262 13.248 -4.664 1.00 0.00 C ATOM 654 OG SER A 46 5.739 14.465 -5.210 1.00 0.00 O ATOM 0 H SER A 46 6.824 11.232 -4.866 1.00 0.00 H new ATOM 0 HA SER A 46 6.723 13.587 -3.123 1.00 0.00 H new ATOM 0 HB2 SER A 46 5.187 12.498 -5.451 1.00 0.00 H new ATOM 0 HB3 SER A 46 4.258 13.394 -4.265 1.00 0.00 H new ATOM 0 HG SER A 46 5.131 14.767 -5.917 1.00 0.00 H new ATOM 660 N ASP A 47 5.198 12.778 -1.343 1.00 0.00 N ATOM 661 CA ASP A 47 4.433 12.256 -0.217 1.00 0.00 C ATOM 662 C ASP A 47 3.241 11.437 -0.702 1.00 0.00 C ATOM 663 O ASP A 47 2.357 11.953 -1.385 1.00 0.00 O ATOM 664 CB ASP A 47 3.952 13.402 0.675 1.00 0.00 C ATOM 665 CG ASP A 47 2.633 13.985 0.205 1.00 0.00 C ATOM 666 OD1 ASP A 47 1.582 13.365 0.470 1.00 0.00 O ATOM 667 OD2 ASP A 47 2.653 15.063 -0.426 1.00 0.00 O ATOM 0 H ASP A 47 5.581 13.712 -1.196 1.00 0.00 H new ATOM 0 HA ASP A 47 5.086 11.604 0.363 1.00 0.00 H new ATOM 0 HB2 ASP A 47 3.843 13.042 1.698 1.00 0.00 H new ATOM 0 HB3 ASP A 47 4.708 14.187 0.692 1.00 0.00 H new ATOM 672 N GLY A 48 3.225 10.156 -0.346 1.00 0.00 N ATOM 673 CA GLY A 48 2.139 9.286 -0.755 1.00 0.00 C ATOM 674 C GLY A 48 2.615 8.119 -1.596 1.00 0.00 C ATOM 675 O GLY A 48 1.926 7.105 -1.714 1.00 0.00 O ATOM 0 H GLY A 48 3.945 9.706 0.219 1.00 0.00 H new ATOM 0 HA2 GLY A 48 1.628 8.907 0.130 1.00 0.00 H new ATOM 0 HA3 GLY A 48 1.409 9.864 -1.321 1.00 0.00 H new ATOM 679 N THR A 49 3.799 8.261 -2.186 1.00 0.00 N ATOM 680 CA THR A 49 4.366 7.211 -3.023 1.00 0.00 C ATOM 681 C THR A 49 4.670 5.960 -2.207 1.00 0.00 C ATOM 682 O THR A 49 5.675 5.899 -1.499 1.00 0.00 O ATOM 683 CB THR A 49 5.657 7.683 -3.718 1.00 0.00 C ATOM 684 OG1 THR A 49 5.480 9.008 -4.233 1.00 0.00 O ATOM 685 CG2 THR A 49 6.038 6.741 -4.850 1.00 0.00 C ATOM 0 H THR A 49 4.383 9.093 -2.099 1.00 0.00 H new ATOM 0 HA THR A 49 3.619 6.974 -3.781 1.00 0.00 H new ATOM 0 HB THR A 49 6.460 7.684 -2.981 1.00 0.00 H new ATOM 0 HG1 THR A 49 5.645 9.661 -3.521 1.00 0.00 H new ATOM 0 HG21 THR A 49 6.953 7.095 -5.326 1.00 0.00 H new ATOM 0 HG22 THR A 49 6.201 5.740 -4.451 1.00 0.00 H new ATOM 0 HG23 THR A 49 5.234 6.712 -5.586 1.00 0.00 H new ATOM 693 N PHE A 50 3.796 4.965 -2.310 1.00 0.00 N ATOM 694 CA PHE A 50 3.972 3.714 -1.581 1.00 0.00 C ATOM 695 C PHE A 50 4.741 2.698 -2.420 1.00 0.00 C ATOM 696 O PHE A 50 4.692 2.728 -3.650 1.00 0.00 O ATOM 697 CB PHE A 50 2.612 3.138 -1.180 1.00 0.00 C ATOM 698 CG PHE A 50 1.837 2.572 -2.335 1.00 0.00 C ATOM 699 CD1 PHE A 50 1.181 3.410 -3.223 1.00 0.00 C ATOM 700 CD2 PHE A 50 1.765 1.203 -2.535 1.00 0.00 C ATOM 701 CE1 PHE A 50 0.466 2.892 -4.286 1.00 0.00 C ATOM 702 CE2 PHE A 50 1.052 0.680 -3.597 1.00 0.00 C ATOM 703 CZ PHE A 50 0.403 1.525 -4.474 1.00 0.00 C ATOM 0 H PHE A 50 2.958 5.000 -2.891 1.00 0.00 H new ATOM 0 HA PHE A 50 4.549 3.925 -0.681 1.00 0.00 H new ATOM 0 HB2 PHE A 50 2.763 2.356 -0.436 1.00 0.00 H new ATOM 0 HB3 PHE A 50 2.021 3.921 -0.705 1.00 0.00 H new ATOM 0 HD1 PHE A 50 1.229 4.480 -3.083 1.00 0.00 H new ATOM 0 HD2 PHE A 50 2.272 0.537 -1.853 1.00 0.00 H new ATOM 0 HE1 PHE A 50 -0.043 3.555 -4.969 1.00 0.00 H new ATOM 0 HE2 PHE A 50 1.003 -0.389 -3.741 1.00 0.00 H new ATOM 0 HZ PHE A 50 -0.153 1.118 -5.306 1.00 0.00 H new ATOM 713 N LEU A 51 5.451 1.800 -1.746 1.00 0.00 N ATOM 714 CA LEU A 51 6.231 0.774 -2.429 1.00 0.00 C ATOM 715 C LEU A 51 6.333 -0.488 -1.578 1.00 0.00 C ATOM 716 O LEU A 51 6.649 -0.425 -0.390 1.00 0.00 O ATOM 717 CB LEU A 51 7.631 1.300 -2.751 1.00 0.00 C ATOM 718 CG LEU A 51 8.703 1.048 -1.691 1.00 0.00 C ATOM 719 CD1 LEU A 51 9.066 -0.428 -1.639 1.00 0.00 C ATOM 720 CD2 LEU A 51 9.937 1.894 -1.969 1.00 0.00 C ATOM 0 H LEU A 51 5.503 1.762 -0.728 1.00 0.00 H new ATOM 0 HA LEU A 51 5.721 0.523 -3.359 1.00 0.00 H new ATOM 0 HB2 LEU A 51 7.961 0.848 -3.687 1.00 0.00 H new ATOM 0 HB3 LEU A 51 7.563 2.374 -2.922 1.00 0.00 H new ATOM 0 HG LEU A 51 8.301 1.336 -0.720 1.00 0.00 H new ATOM 0 HD11 LEU A 51 9.831 -0.588 -0.879 1.00 0.00 H new ATOM 0 HD12 LEU A 51 8.180 -1.012 -1.391 1.00 0.00 H new ATOM 0 HD13 LEU A 51 9.448 -0.743 -2.610 1.00 0.00 H new ATOM 0 HD21 LEU A 51 10.690 1.702 -1.204 1.00 0.00 H new ATOM 0 HD22 LEU A 51 10.341 1.638 -2.948 1.00 0.00 H new ATOM 0 HD23 LEU A 51 9.666 2.950 -1.954 1.00 0.00 H new ATOM 732 N VAL A 52 6.065 -1.635 -2.195 1.00 0.00 N ATOM 733 CA VAL A 52 6.130 -2.913 -1.496 1.00 0.00 C ATOM 734 C VAL A 52 7.435 -3.640 -1.800 1.00 0.00 C ATOM 735 O VAL A 52 7.920 -3.620 -2.931 1.00 0.00 O ATOM 736 CB VAL A 52 4.948 -3.822 -1.878 1.00 0.00 C ATOM 737 CG1 VAL A 52 4.948 -5.084 -1.028 1.00 0.00 C ATOM 738 CG2 VAL A 52 3.631 -3.073 -1.734 1.00 0.00 C ATOM 0 H VAL A 52 5.801 -1.705 -3.178 1.00 0.00 H new ATOM 0 HA VAL A 52 6.080 -2.693 -0.430 1.00 0.00 H new ATOM 0 HB VAL A 52 5.061 -4.115 -2.922 1.00 0.00 H new ATOM 0 HG11 VAL A 52 4.105 -5.714 -1.312 1.00 0.00 H new ATOM 0 HG12 VAL A 52 5.878 -5.629 -1.186 1.00 0.00 H new ATOM 0 HG13 VAL A 52 4.860 -4.814 0.024 1.00 0.00 H new ATOM 0 HG21 VAL A 52 2.806 -3.731 -2.008 1.00 0.00 H new ATOM 0 HG22 VAL A 52 3.508 -2.748 -0.701 1.00 0.00 H new ATOM 0 HG23 VAL A 52 3.634 -2.202 -2.390 1.00 0.00 H new ATOM 748 N ARG A 53 7.999 -4.282 -0.782 1.00 0.00 N ATOM 749 CA ARG A 53 9.249 -5.016 -0.940 1.00 0.00 C ATOM 750 C ARG A 53 9.283 -6.236 -0.024 1.00 0.00 C ATOM 751 O ARG A 53 8.450 -6.374 0.871 1.00 0.00 O ATOM 752 CB ARG A 53 10.441 -4.105 -0.640 1.00 0.00 C ATOM 753 CG ARG A 53 10.660 -3.858 0.844 1.00 0.00 C ATOM 754 CD ARG A 53 11.218 -2.467 1.100 1.00 0.00 C ATOM 755 NE ARG A 53 10.932 -2.004 2.455 1.00 0.00 N ATOM 756 CZ ARG A 53 9.705 -1.792 2.917 1.00 0.00 C ATOM 757 NH1 ARG A 53 8.654 -2.001 2.135 1.00 0.00 N ATOM 758 NH2 ARG A 53 9.526 -1.371 4.162 1.00 0.00 N ATOM 0 H ARG A 53 7.610 -4.309 0.161 1.00 0.00 H new ATOM 0 HA ARG A 53 9.313 -5.358 -1.973 1.00 0.00 H new ATOM 0 HB2 ARG A 53 11.342 -4.549 -1.063 1.00 0.00 H new ATOM 0 HB3 ARG A 53 10.292 -3.148 -1.141 1.00 0.00 H new ATOM 0 HG2 ARG A 53 9.717 -3.977 1.377 1.00 0.00 H new ATOM 0 HG3 ARG A 53 11.347 -4.606 1.241 1.00 0.00 H new ATOM 0 HD2 ARG A 53 12.296 -2.474 0.939 1.00 0.00 H new ATOM 0 HD3 ARG A 53 10.792 -1.768 0.380 1.00 0.00 H new ATOM 0 HE ARG A 53 11.719 -1.834 3.082 1.00 0.00 H new ATOM 0 HH11 ARG A 53 8.787 -2.325 1.177 1.00 0.00 H new ATOM 0 HH12 ARG A 53 7.712 -1.838 2.492 1.00 0.00 H new ATOM 0 HH21 ARG A 53 10.332 -1.209 4.767 1.00 0.00 H new ATOM 0 HH22 ARG A 53 8.583 -1.209 4.515 1.00 0.00 H new ATOM 898 N PHE A 62 6.828 -9.704 3.103 1.00 0.00 N ATOM 899 CA PHE A 62 6.690 -8.453 2.366 1.00 0.00 C ATOM 900 C PHE A 62 6.487 -7.279 3.320 1.00 0.00 C ATOM 901 O PHE A 62 6.191 -7.468 4.499 1.00 0.00 O ATOM 902 CB PHE A 62 5.516 -8.539 1.389 1.00 0.00 C ATOM 903 CG PHE A 62 5.772 -9.452 0.223 1.00 0.00 C ATOM 904 CD1 PHE A 62 5.648 -10.825 0.361 1.00 0.00 C ATOM 905 CD2 PHE A 62 6.137 -8.936 -1.010 1.00 0.00 C ATOM 906 CE1 PHE A 62 5.884 -11.666 -0.710 1.00 0.00 C ATOM 907 CE2 PHE A 62 6.374 -9.773 -2.085 1.00 0.00 C ATOM 908 CZ PHE A 62 6.246 -11.140 -1.934 1.00 0.00 C ATOM 0 HA PHE A 62 7.610 -8.288 1.805 1.00 0.00 H new ATOM 0 HB2 PHE A 62 4.632 -8.886 1.925 1.00 0.00 H new ATOM 0 HB3 PHE A 62 5.291 -7.540 1.015 1.00 0.00 H new ATOM 0 HD1 PHE A 62 5.364 -11.243 1.316 1.00 0.00 H new ATOM 0 HD2 PHE A 62 6.238 -7.868 -1.133 1.00 0.00 H new ATOM 0 HE1 PHE A 62 5.785 -12.735 -0.589 1.00 0.00 H new ATOM 0 HE2 PHE A 62 6.659 -9.359 -3.041 1.00 0.00 H new ATOM 0 HZ PHE A 62 6.429 -11.796 -2.772 1.00 0.00 H new ATOM 918 N ALA A 63 6.650 -6.067 2.799 1.00 0.00 N ATOM 919 CA ALA A 63 6.484 -4.862 3.602 1.00 0.00 C ATOM 920 C ALA A 63 6.085 -3.674 2.734 1.00 0.00 C ATOM 921 O ALA A 63 6.588 -3.510 1.622 1.00 0.00 O ATOM 922 CB ALA A 63 7.764 -4.556 4.365 1.00 0.00 C ATOM 0 H ALA A 63 6.897 -5.894 1.825 1.00 0.00 H new ATOM 0 HA ALA A 63 5.682 -5.040 4.318 1.00 0.00 H new ATOM 0 HB1 ALA A 63 7.626 -3.654 4.960 1.00 0.00 H new ATOM 0 HB2 ALA A 63 8.004 -5.391 5.023 1.00 0.00 H new ATOM 0 HB3 ALA A 63 8.581 -4.403 3.659 1.00 0.00 H new ATOM 928 N ILE A 64 5.180 -2.849 3.248 1.00 0.00 N ATOM 929 CA ILE A 64 4.715 -1.675 2.518 1.00 0.00 C ATOM 930 C ILE A 64 5.345 -0.401 3.069 1.00 0.00 C ATOM 931 O ILE A 64 5.111 -0.026 4.218 1.00 0.00 O ATOM 932 CB ILE A 64 3.182 -1.545 2.580 1.00 0.00 C ATOM 933 CG1 ILE A 64 2.518 -2.811 2.034 1.00 0.00 C ATOM 934 CG2 ILE A 64 2.722 -0.321 1.801 1.00 0.00 C ATOM 935 CD1 ILE A 64 1.017 -2.833 2.218 1.00 0.00 C ATOM 0 H ILE A 64 4.754 -2.971 4.167 1.00 0.00 H new ATOM 0 HA ILE A 64 5.018 -1.808 1.479 1.00 0.00 H new ATOM 0 HB ILE A 64 2.885 -1.422 3.621 1.00 0.00 H new ATOM 0 HG12 ILE A 64 2.747 -2.903 0.972 1.00 0.00 H new ATOM 0 HG13 ILE A 64 2.950 -3.681 2.530 1.00 0.00 H new ATOM 0 HG21 ILE A 64 1.636 -0.243 1.854 1.00 0.00 H new ATOM 0 HG22 ILE A 64 3.172 0.574 2.231 1.00 0.00 H new ATOM 0 HG23 ILE A 64 3.028 -0.416 0.759 1.00 0.00 H new ATOM 0 HD11 ILE A 64 0.614 -3.759 1.808 1.00 0.00 H new ATOM 0 HD12 ILE A 64 0.780 -2.773 3.280 1.00 0.00 H new ATOM 0 HD13 ILE A 64 0.574 -1.983 1.699 1.00 0.00 H new ATOM 947 N SER A 65 6.144 0.263 2.240 1.00 0.00 N ATOM 948 CA SER A 65 6.810 1.496 2.644 1.00 0.00 C ATOM 949 C SER A 65 6.402 2.656 1.741 1.00 0.00 C ATOM 950 O SER A 65 6.458 2.552 0.515 1.00 0.00 O ATOM 951 CB SER A 65 8.329 1.316 2.607 1.00 0.00 C ATOM 952 OG SER A 65 8.972 2.226 3.482 1.00 0.00 O ATOM 0 H SER A 65 6.346 -0.032 1.285 1.00 0.00 H new ATOM 0 HA SER A 65 6.503 1.728 3.664 1.00 0.00 H new ATOM 0 HB2 SER A 65 8.584 0.294 2.888 1.00 0.00 H new ATOM 0 HB3 SER A 65 8.691 1.467 1.590 1.00 0.00 H new ATOM 0 HG SER A 65 9.339 1.739 4.249 1.00 0.00 H new ATOM 958 N ILE A 66 5.990 3.760 2.355 1.00 0.00 N ATOM 959 CA ILE A 66 5.573 4.939 1.607 1.00 0.00 C ATOM 960 C ILE A 66 6.082 6.217 2.267 1.00 0.00 C ATOM 961 O ILE A 66 6.466 6.214 3.437 1.00 0.00 O ATOM 962 CB ILE A 66 4.040 5.015 1.484 1.00 0.00 C ATOM 963 CG1 ILE A 66 3.462 5.915 2.579 1.00 0.00 C ATOM 964 CG2 ILE A 66 3.433 3.622 1.562 1.00 0.00 C ATOM 965 CD1 ILE A 66 3.766 5.433 3.980 1.00 0.00 C ATOM 0 H ILE A 66 5.936 3.862 3.368 1.00 0.00 H new ATOM 0 HA ILE A 66 6.005 4.849 0.610 1.00 0.00 H new ATOM 0 HB ILE A 66 3.789 5.447 0.515 1.00 0.00 H new ATOM 0 HG12 ILE A 66 3.858 6.923 2.456 1.00 0.00 H new ATOM 0 HG13 ILE A 66 2.381 5.980 2.452 1.00 0.00 H new ATOM 0 HG21 ILE A 66 2.349 3.692 1.474 1.00 0.00 H new ATOM 0 HG22 ILE A 66 3.824 3.009 0.750 1.00 0.00 H new ATOM 0 HG23 ILE A 66 3.690 3.166 2.518 1.00 0.00 H new ATOM 0 HD11 ILE A 66 3.326 6.119 4.704 1.00 0.00 H new ATOM 0 HD12 ILE A 66 3.346 4.437 4.121 1.00 0.00 H new ATOM 0 HD13 ILE A 66 4.846 5.395 4.126 1.00 0.00 H new ATOM 977 N LYS A 67 6.081 7.308 1.509 1.00 0.00 N ATOM 978 CA LYS A 67 6.540 8.595 2.019 1.00 0.00 C ATOM 979 C LYS A 67 5.409 9.333 2.728 1.00 0.00 C ATOM 980 O LYS A 67 4.408 9.695 2.110 1.00 0.00 O ATOM 981 CB LYS A 67 7.087 9.454 0.876 1.00 0.00 C ATOM 982 CG LYS A 67 7.778 10.722 1.346 1.00 0.00 C ATOM 983 CD LYS A 67 9.085 10.414 2.057 1.00 0.00 C ATOM 984 CE LYS A 67 9.508 11.557 2.966 1.00 0.00 C ATOM 985 NZ LYS A 67 9.951 12.748 2.190 1.00 0.00 N ATOM 0 H LYS A 67 5.767 7.327 0.539 1.00 0.00 H new ATOM 0 HA LYS A 67 7.337 8.410 2.739 1.00 0.00 H new ATOM 0 HB2 LYS A 67 7.791 8.861 0.292 1.00 0.00 H new ATOM 0 HB3 LYS A 67 6.267 9.722 0.210 1.00 0.00 H new ATOM 0 HG2 LYS A 67 7.972 11.370 0.491 1.00 0.00 H new ATOM 0 HG3 LYS A 67 7.117 11.270 2.018 1.00 0.00 H new ATOM 0 HD2 LYS A 67 8.975 9.502 2.644 1.00 0.00 H new ATOM 0 HD3 LYS A 67 9.866 10.226 1.320 1.00 0.00 H new ATOM 0 HE2 LYS A 67 8.675 11.834 3.613 1.00 0.00 H new ATOM 0 HE3 LYS A 67 10.318 11.224 3.615 1.00 0.00 H new ATOM 0 HZ1 LYS A 67 10.231 13.505 2.846 1.00 0.00 H new ATOM 0 HZ2 LYS A 67 10.762 12.491 1.592 1.00 0.00 H new ATOM 0 HZ3 LYS A 67 9.170 13.081 1.590 1.00 0.00 H new ATOM 999 N TYR A 68 5.577 9.554 4.027 1.00 0.00 N ATOM 1000 CA TYR A 68 4.570 10.249 4.820 1.00 0.00 C ATOM 1001 C TYR A 68 5.224 11.131 5.880 1.00 0.00 C ATOM 1002 O TYR A 68 6.241 10.764 6.466 1.00 0.00 O ATOM 1003 CB TYR A 68 3.631 9.242 5.486 1.00 0.00 C ATOM 1004 CG TYR A 68 2.285 9.822 5.856 1.00 0.00 C ATOM 1005 CD1 TYR A 68 1.252 9.879 4.929 1.00 0.00 C ATOM 1006 CD2 TYR A 68 2.045 10.311 7.135 1.00 0.00 C ATOM 1007 CE1 TYR A 68 0.021 10.409 5.262 1.00 0.00 C ATOM 1008 CE2 TYR A 68 0.816 10.842 7.477 1.00 0.00 C ATOM 1009 CZ TYR A 68 -0.192 10.889 6.538 1.00 0.00 C ATOM 1010 OH TYR A 68 -1.418 11.416 6.874 1.00 0.00 O ATOM 0 H TYR A 68 6.401 9.262 4.553 1.00 0.00 H new ATOM 0 HA TYR A 68 3.992 10.886 4.150 1.00 0.00 H new ATOM 0 HB2 TYR A 68 3.481 8.398 4.813 1.00 0.00 H new ATOM 0 HB3 TYR A 68 4.109 8.852 6.385 1.00 0.00 H new ATOM 0 HD1 TYR A 68 1.414 9.502 3.930 1.00 0.00 H new ATOM 0 HD2 TYR A 68 2.832 10.275 7.874 1.00 0.00 H new ATOM 0 HE1 TYR A 68 -0.770 10.448 4.528 1.00 0.00 H new ATOM 0 HE2 TYR A 68 0.646 11.218 8.475 1.00 0.00 H new ATOM 0 HH TYR A 68 -2.039 10.689 7.088 1.00 0.00 H new ATOM 1020 N ASN A 69 4.630 12.295 6.119 1.00 0.00 N ATOM 1021 CA ASN A 69 5.154 13.231 7.108 1.00 0.00 C ATOM 1022 C ASN A 69 6.641 13.486 6.882 1.00 0.00 C ATOM 1023 O ASN A 69 7.398 13.694 7.831 1.00 0.00 O ATOM 1024 CB ASN A 69 4.927 12.691 8.522 1.00 0.00 C ATOM 1025 CG ASN A 69 4.718 13.798 9.537 1.00 0.00 C ATOM 1026 OD1 ASN A 69 4.372 14.924 9.181 1.00 0.00 O ATOM 1027 ND2 ASN A 69 4.929 13.481 10.809 1.00 0.00 N ATOM 0 H ASN A 69 3.786 12.613 5.642 1.00 0.00 H new ATOM 0 HA ASN A 69 4.621 14.175 6.996 1.00 0.00 H new ATOM 0 HB2 ASN A 69 4.058 12.033 8.522 1.00 0.00 H new ATOM 0 HB3 ASN A 69 5.784 12.086 8.819 1.00 0.00 H new ATOM 0 HD21 ASN A 69 4.805 14.184 11.537 1.00 0.00 H new ATOM 0 HD22 ASN A 69 5.215 12.534 11.058 1.00 0.00 H new ATOM 1034 N VAL A 70 7.053 13.469 5.619 1.00 0.00 N ATOM 1035 CA VAL A 70 8.449 13.700 5.267 1.00 0.00 C ATOM 1036 C VAL A 70 9.343 12.588 5.803 1.00 0.00 C ATOM 1037 O VAL A 70 10.536 12.790 6.025 1.00 0.00 O ATOM 1038 CB VAL A 70 8.949 15.052 5.811 1.00 0.00 C ATOM 1039 CG1 VAL A 70 7.801 16.046 5.908 1.00 0.00 C ATOM 1040 CG2 VAL A 70 9.620 14.866 7.163 1.00 0.00 C ATOM 0 H VAL A 70 6.440 13.298 4.822 1.00 0.00 H new ATOM 0 HA VAL A 70 8.502 13.712 4.178 1.00 0.00 H new ATOM 0 HB VAL A 70 9.687 15.453 5.117 1.00 0.00 H new ATOM 0 HG11 VAL A 70 8.173 16.995 6.294 1.00 0.00 H new ATOM 0 HG12 VAL A 70 7.369 16.201 4.919 1.00 0.00 H new ATOM 0 HG13 VAL A 70 7.037 15.655 6.580 1.00 0.00 H new ATOM 0 HG21 VAL A 70 9.967 15.831 7.533 1.00 0.00 H new ATOM 0 HG22 VAL A 70 8.905 14.443 7.869 1.00 0.00 H new ATOM 0 HG23 VAL A 70 10.469 14.191 7.058 1.00 0.00 H new ATOM 1050 N GLU A 71 8.756 11.412 6.008 1.00 0.00 N ATOM 1051 CA GLU A 71 9.500 10.267 6.519 1.00 0.00 C ATOM 1052 C GLU A 71 9.041 8.976 5.847 1.00 0.00 C ATOM 1053 O GLU A 71 7.846 8.761 5.641 1.00 0.00 O ATOM 1054 CB GLU A 71 9.329 10.155 8.035 1.00 0.00 C ATOM 1055 CG GLU A 71 7.962 10.600 8.528 1.00 0.00 C ATOM 1056 CD GLU A 71 7.894 10.707 10.039 1.00 0.00 C ATOM 1057 OE1 GLU A 71 8.445 9.820 10.723 1.00 0.00 O ATOM 1058 OE2 GLU A 71 7.289 11.680 10.537 1.00 0.00 O ATOM 0 H GLU A 71 7.769 11.228 5.828 1.00 0.00 H new ATOM 0 HA GLU A 71 10.555 10.420 6.290 1.00 0.00 H new ATOM 0 HB2 GLU A 71 9.495 9.120 8.335 1.00 0.00 H new ATOM 0 HB3 GLU A 71 10.096 10.756 8.524 1.00 0.00 H new ATOM 0 HG2 GLU A 71 7.718 11.567 8.088 1.00 0.00 H new ATOM 0 HG3 GLU A 71 7.208 9.893 8.183 1.00 0.00 H new ATOM 1065 N VAL A 72 9.998 8.119 5.508 1.00 0.00 N ATOM 1066 CA VAL A 72 9.694 6.849 4.860 1.00 0.00 C ATOM 1067 C VAL A 72 9.224 5.813 5.875 1.00 0.00 C ATOM 1068 O VAL A 72 10.034 5.186 6.558 1.00 0.00 O ATOM 1069 CB VAL A 72 10.917 6.295 4.106 1.00 0.00 C ATOM 1070 CG1 VAL A 72 10.582 4.967 3.445 1.00 0.00 C ATOM 1071 CG2 VAL A 72 11.409 7.303 3.078 1.00 0.00 C ATOM 0 H VAL A 72 10.992 8.281 5.672 1.00 0.00 H new ATOM 0 HA VAL A 72 8.894 7.043 4.145 1.00 0.00 H new ATOM 0 HB VAL A 72 11.718 6.122 4.825 1.00 0.00 H new ATOM 0 HG11 VAL A 72 11.459 4.592 2.917 1.00 0.00 H new ATOM 0 HG12 VAL A 72 10.281 4.247 4.206 1.00 0.00 H new ATOM 0 HG13 VAL A 72 9.766 5.109 2.737 1.00 0.00 H new ATOM 0 HG21 VAL A 72 12.274 6.896 2.554 1.00 0.00 H new ATOM 0 HG22 VAL A 72 10.614 7.509 2.361 1.00 0.00 H new ATOM 0 HG23 VAL A 72 11.692 8.227 3.581 1.00 0.00 H new ATOM 1081 N LYS A 73 7.911 5.638 5.969 1.00 0.00 N ATOM 1082 CA LYS A 73 7.331 4.676 6.900 1.00 0.00 C ATOM 1083 C LYS A 73 7.337 3.272 6.304 1.00 0.00 C ATOM 1084 O LYS A 73 7.380 3.136 5.083 1.00 0.00 O ATOM 1085 CB LYS A 73 5.901 5.083 7.260 1.00 0.00 C ATOM 1086 CG LYS A 73 5.758 6.552 7.621 1.00 0.00 C ATOM 1087 CD LYS A 73 6.324 6.845 9.000 1.00 0.00 C ATOM 1088 CE LYS A 73 5.582 7.988 9.676 1.00 0.00 C ATOM 1089 NZ LYS A 73 6.033 8.188 11.081 1.00 0.00 N ATOM 0 H LYS A 73 7.227 6.150 5.412 1.00 0.00 H new ATOM 0 HA LYS A 73 7.939 4.670 7.805 1.00 0.00 H new ATOM 0 HB2 LYS A 73 5.246 4.859 6.418 1.00 0.00 H new ATOM 0 HB3 LYS A 73 5.560 4.477 8.099 1.00 0.00 H new ATOM 0 HG2 LYS A 73 6.273 7.162 6.878 1.00 0.00 H new ATOM 0 HG3 LYS A 73 4.706 6.834 7.591 1.00 0.00 H new ATOM 0 HD2 LYS A 73 6.258 5.950 9.619 1.00 0.00 H new ATOM 0 HD3 LYS A 73 7.381 7.096 8.915 1.00 0.00 H new ATOM 0 HE2 LYS A 73 5.737 8.907 9.110 1.00 0.00 H new ATOM 0 HE3 LYS A 73 4.511 7.784 9.664 1.00 0.00 H new ATOM 0 HZ1 LYS A 73 5.384 8.842 11.564 1.00 0.00 H new ATOM 0 HZ2 LYS A 73 6.037 7.274 11.578 1.00 0.00 H new ATOM 0 HZ3 LYS A 73 6.993 8.588 11.084 1.00 0.00 H new ATOM 1103 N HIS A 74 7.293 2.269 7.169 1.00 0.00 N ATOM 1104 CA HIS A 74 7.292 0.889 6.716 1.00 0.00 C ATOM 1105 C HIS A 74 6.172 0.118 7.418 1.00 0.00 C ATOM 1106 O HIS A 74 5.778 0.422 8.545 1.00 0.00 O ATOM 1107 CB HIS A 74 8.667 0.250 6.917 1.00 0.00 C ATOM 1108 CG HIS A 74 9.823 1.158 6.570 1.00 0.00 C ATOM 1109 ND1 HIS A 74 10.563 1.020 5.409 1.00 0.00 N ATOM 1110 CD2 HIS A 74 10.356 2.218 7.243 1.00 0.00 C ATOM 1111 CE1 HIS A 74 11.498 1.959 5.394 1.00 0.00 C ATOM 1112 NE2 HIS A 74 11.368 2.700 6.532 1.00 0.00 N ATOM 0 H HIS A 74 7.258 2.385 8.182 1.00 0.00 H new ATOM 0 HA HIS A 74 7.093 0.855 5.645 1.00 0.00 H new ATOM 0 HB2 HIS A 74 8.763 -0.062 7.957 1.00 0.00 H new ATOM 0 HB3 HIS A 74 8.730 -0.651 6.307 1.00 0.00 H new ATOM 0 HD2 HIS A 74 10.013 2.600 8.193 1.00 0.00 H new ATOM 0 HE1 HIS A 74 12.233 2.111 4.618 1.00 0.00 H new ATOM 0 HE2 HIS A 74 11.952 3.494 6.794 1.00 0.00 H new ATOM 1120 N ILE A 75 5.664 -0.893 6.722 1.00 0.00 N ATOM 1121 CA ILE A 75 4.592 -1.724 7.255 1.00 0.00 C ATOM 1122 C ILE A 75 4.885 -3.205 7.040 1.00 0.00 C ATOM 1123 O ILE A 75 5.169 -3.637 5.923 1.00 0.00 O ATOM 1124 CB ILE A 75 3.238 -1.381 6.606 1.00 0.00 C ATOM 1125 CG1 ILE A 75 2.882 0.085 6.863 1.00 0.00 C ATOM 1126 CG2 ILE A 75 2.147 -2.298 7.139 1.00 0.00 C ATOM 1127 CD1 ILE A 75 1.538 0.488 6.296 1.00 0.00 C ATOM 0 H ILE A 75 5.977 -1.156 5.788 1.00 0.00 H new ATOM 0 HA ILE A 75 4.536 -1.519 8.324 1.00 0.00 H new ATOM 0 HB ILE A 75 3.319 -1.533 5.530 1.00 0.00 H new ATOM 0 HG12 ILE A 75 2.884 0.268 7.938 1.00 0.00 H new ATOM 0 HG13 ILE A 75 3.655 0.720 6.430 1.00 0.00 H new ATOM 0 HG21 ILE A 75 1.196 -2.043 6.671 1.00 0.00 H new ATOM 0 HG22 ILE A 75 2.398 -3.334 6.910 1.00 0.00 H new ATOM 0 HG23 ILE A 75 2.064 -2.175 8.219 1.00 0.00 H new ATOM 0 HD11 ILE A 75 1.351 1.539 6.515 1.00 0.00 H new ATOM 0 HD12 ILE A 75 1.538 0.337 5.217 1.00 0.00 H new ATOM 0 HD13 ILE A 75 0.755 -0.122 6.747 1.00 0.00 H new ATOM 1139 N LYS A 76 4.813 -3.980 8.117 1.00 0.00 N ATOM 1140 CA LYS A 76 5.068 -5.414 8.047 1.00 0.00 C ATOM 1141 C LYS A 76 3.866 -6.152 7.466 1.00 0.00 C ATOM 1142 O LYS A 76 2.723 -5.891 7.844 1.00 0.00 O ATOM 1143 CB LYS A 76 5.393 -5.963 9.438 1.00 0.00 C ATOM 1144 CG LYS A 76 5.292 -7.475 9.534 1.00 0.00 C ATOM 1145 CD LYS A 76 6.008 -8.005 10.765 1.00 0.00 C ATOM 1146 CE LYS A 76 7.456 -8.359 10.459 1.00 0.00 C ATOM 1147 NZ LYS A 76 8.366 -7.198 10.667 1.00 0.00 N ATOM 0 H LYS A 76 4.580 -3.639 9.049 1.00 0.00 H new ATOM 0 HA LYS A 76 5.923 -5.575 7.391 1.00 0.00 H new ATOM 0 HB2 LYS A 76 6.402 -5.656 9.714 1.00 0.00 H new ATOM 0 HB3 LYS A 76 4.714 -5.515 10.164 1.00 0.00 H new ATOM 0 HG2 LYS A 76 4.243 -7.769 9.567 1.00 0.00 H new ATOM 0 HG3 LYS A 76 5.721 -7.927 8.640 1.00 0.00 H new ATOM 0 HD2 LYS A 76 5.975 -7.257 11.557 1.00 0.00 H new ATOM 0 HD3 LYS A 76 5.488 -8.887 11.138 1.00 0.00 H new ATOM 0 HE2 LYS A 76 7.770 -9.186 11.096 1.00 0.00 H new ATOM 0 HE3 LYS A 76 7.536 -8.703 9.428 1.00 0.00 H new ATOM 0 HZ1 LYS A 76 9.334 -7.541 10.834 1.00 0.00 H new ATOM 0 HZ2 LYS A 76 8.355 -6.592 9.822 1.00 0.00 H new ATOM 0 HZ3 LYS A 76 8.046 -6.649 11.491 1.00 0.00 H new ATOM 1161 N ILE A 77 4.132 -7.074 6.548 1.00 0.00 N ATOM 1162 CA ILE A 77 3.072 -7.851 5.917 1.00 0.00 C ATOM 1163 C ILE A 77 3.119 -9.309 6.363 1.00 0.00 C ATOM 1164 O ILE A 77 4.161 -9.959 6.287 1.00 0.00 O ATOM 1165 CB ILE A 77 3.169 -7.793 4.381 1.00 0.00 C ATOM 1166 CG1 ILE A 77 2.986 -6.355 3.891 1.00 0.00 C ATOM 1167 CG2 ILE A 77 2.132 -8.710 3.750 1.00 0.00 C ATOM 1168 CD1 ILE A 77 3.184 -6.196 2.400 1.00 0.00 C ATOM 0 H ILE A 77 5.072 -7.302 6.224 1.00 0.00 H new ATOM 0 HA ILE A 77 2.127 -7.408 6.230 1.00 0.00 H new ATOM 0 HB ILE A 77 4.159 -8.136 4.080 1.00 0.00 H new ATOM 0 HG12 ILE A 77 1.985 -6.014 4.155 1.00 0.00 H new ATOM 0 HG13 ILE A 77 3.691 -5.709 4.414 1.00 0.00 H new ATOM 0 HG21 ILE A 77 2.213 -8.658 2.664 1.00 0.00 H new ATOM 0 HG22 ILE A 77 2.305 -9.735 4.078 1.00 0.00 H new ATOM 0 HG23 ILE A 77 1.134 -8.395 4.055 1.00 0.00 H new ATOM 0 HD11 ILE A 77 3.039 -5.152 2.123 1.00 0.00 H new ATOM 0 HD12 ILE A 77 4.194 -6.506 2.132 1.00 0.00 H new ATOM 0 HD13 ILE A 77 2.462 -6.816 1.869 1.00 0.00 H new ATOM 1180 N MET A 78 1.982 -9.817 6.828 1.00 0.00 N ATOM 1181 CA MET A 78 1.893 -11.199 7.284 1.00 0.00 C ATOM 1182 C MET A 78 1.143 -12.058 6.272 1.00 0.00 C ATOM 1183 O MET A 78 0.365 -11.548 5.464 1.00 0.00 O ATOM 1184 CB MET A 78 1.196 -11.266 8.644 1.00 0.00 C ATOM 1185 CG MET A 78 1.715 -10.246 9.645 1.00 0.00 C ATOM 1186 SD MET A 78 1.453 -10.755 11.354 1.00 0.00 S ATOM 1187 CE MET A 78 -0.143 -10.015 11.687 1.00 0.00 C ATOM 0 H MET A 78 1.110 -9.292 6.899 1.00 0.00 H new ATOM 0 HA MET A 78 2.906 -11.588 7.384 1.00 0.00 H new ATOM 0 HB2 MET A 78 0.126 -11.112 8.503 1.00 0.00 H new ATOM 0 HB3 MET A 78 1.322 -12.266 9.059 1.00 0.00 H new ATOM 0 HG2 MET A 78 2.780 -10.087 9.477 1.00 0.00 H new ATOM 0 HG3 MET A 78 1.219 -9.290 9.474 1.00 0.00 H new ATOM 0 HE1 MET A 78 -0.492 -10.329 12.671 1.00 0.00 H new ATOM 0 HE2 MET A 78 -0.052 -8.929 11.664 1.00 0.00 H new ATOM 0 HE3 MET A 78 -0.858 -10.335 10.929 1.00 0.00 H new ATOM 1197 N THR A 79 1.380 -13.365 6.320 1.00 0.00 N ATOM 1198 CA THR A 79 0.727 -14.295 5.406 1.00 0.00 C ATOM 1199 C THR A 79 0.099 -15.459 6.162 1.00 0.00 C ATOM 1200 O THR A 79 0.662 -15.955 7.138 1.00 0.00 O ATOM 1201 CB THR A 79 1.719 -14.848 4.365 1.00 0.00 C ATOM 1202 OG1 THR A 79 3.006 -15.031 4.964 1.00 0.00 O ATOM 1203 CG2 THR A 79 1.836 -13.908 3.176 1.00 0.00 C ATOM 0 H THR A 79 2.020 -13.804 6.982 1.00 0.00 H new ATOM 0 HA THR A 79 -0.055 -13.737 4.891 1.00 0.00 H new ATOM 0 HB THR A 79 1.343 -15.808 4.012 1.00 0.00 H new ATOM 0 HG1 THR A 79 3.630 -15.384 4.296 1.00 0.00 H new ATOM 0 HG21 THR A 79 2.542 -14.320 2.455 1.00 0.00 H new ATOM 0 HG22 THR A 79 0.860 -13.795 2.704 1.00 0.00 H new ATOM 0 HG23 THR A 79 2.190 -12.935 3.515 1.00 0.00 H new ATOM 1211 N ALA A 80 -1.072 -15.893 5.706 1.00 0.00 N ATOM 1212 CA ALA A 80 -1.775 -17.002 6.338 1.00 0.00 C ATOM 1213 C ALA A 80 -2.798 -17.616 5.388 1.00 0.00 C ATOM 1214 O ALA A 80 -3.669 -16.920 4.866 1.00 0.00 O ATOM 1215 CB ALA A 80 -2.454 -16.535 7.618 1.00 0.00 C ATOM 0 H ALA A 80 -1.553 -15.493 4.901 1.00 0.00 H new ATOM 0 HA ALA A 80 -1.043 -17.770 6.587 1.00 0.00 H new ATOM 0 HB1 ALA A 80 -2.975 -17.373 8.080 1.00 0.00 H new ATOM 0 HB2 ALA A 80 -1.704 -16.150 8.308 1.00 0.00 H new ATOM 0 HB3 ALA A 80 -3.170 -15.747 7.384 1.00 0.00 H new ATOM 1221 N GLU A 81 -2.686 -18.922 5.169 1.00 0.00 N ATOM 1222 CA GLU A 81 -3.602 -19.628 4.280 1.00 0.00 C ATOM 1223 C GLU A 81 -3.433 -19.156 2.839 1.00 0.00 C ATOM 1224 O GLU A 81 -4.355 -19.254 2.030 1.00 0.00 O ATOM 1225 CB GLU A 81 -5.049 -19.418 4.731 1.00 0.00 C ATOM 1226 CG GLU A 81 -5.224 -19.432 6.240 1.00 0.00 C ATOM 1227 CD GLU A 81 -6.682 -19.419 6.658 1.00 0.00 C ATOM 1228 OE1 GLU A 81 -7.392 -20.402 6.360 1.00 0.00 O ATOM 1229 OE2 GLU A 81 -7.112 -18.427 7.283 1.00 0.00 O ATOM 0 H GLU A 81 -1.971 -19.512 5.594 1.00 0.00 H new ATOM 0 HA GLU A 81 -3.366 -20.691 4.326 1.00 0.00 H new ATOM 0 HB2 GLU A 81 -5.408 -18.466 4.341 1.00 0.00 H new ATOM 0 HB3 GLU A 81 -5.674 -20.197 4.294 1.00 0.00 H new ATOM 0 HG2 GLU A 81 -4.740 -20.319 6.650 1.00 0.00 H new ATOM 0 HG3 GLU A 81 -4.719 -18.566 6.669 1.00 0.00 H new ATOM 1236 N GLY A 82 -2.247 -18.644 2.525 1.00 0.00 N ATOM 1237 CA GLY A 82 -1.978 -18.163 1.182 1.00 0.00 C ATOM 1238 C GLY A 82 -2.486 -16.753 0.959 1.00 0.00 C ATOM 1239 O GLY A 82 -2.667 -16.324 -0.182 1.00 0.00 O ATOM 0 H GLY A 82 -1.467 -18.554 3.177 1.00 0.00 H new ATOM 0 HA2 GLY A 82 -0.904 -18.193 0.997 1.00 0.00 H new ATOM 0 HA3 GLY A 82 -2.444 -18.833 0.459 1.00 0.00 H new ATOM 1243 N LEU A 83 -2.719 -16.030 2.048 1.00 0.00 N ATOM 1244 CA LEU A 83 -3.211 -14.659 1.966 1.00 0.00 C ATOM 1245 C LEU A 83 -2.146 -13.669 2.427 1.00 0.00 C ATOM 1246 O LEU A 83 -1.127 -14.059 2.997 1.00 0.00 O ATOM 1247 CB LEU A 83 -4.474 -14.498 2.814 1.00 0.00 C ATOM 1248 CG LEU A 83 -5.585 -15.518 2.564 1.00 0.00 C ATOM 1249 CD1 LEU A 83 -6.402 -15.738 3.827 1.00 0.00 C ATOM 1250 CD2 LEU A 83 -6.480 -15.063 1.420 1.00 0.00 C ATOM 0 H LEU A 83 -2.575 -16.370 2.999 1.00 0.00 H new ATOM 0 HA LEU A 83 -3.451 -14.447 0.924 1.00 0.00 H new ATOM 0 HB2 LEU A 83 -4.191 -14.550 3.865 1.00 0.00 H new ATOM 0 HB3 LEU A 83 -4.878 -13.501 2.642 1.00 0.00 H new ATOM 0 HG LEU A 83 -5.125 -16.466 2.284 1.00 0.00 H new ATOM 0 HD11 LEU A 83 -7.188 -16.467 3.630 1.00 0.00 H new ATOM 0 HD12 LEU A 83 -5.753 -16.110 4.620 1.00 0.00 H new ATOM 0 HD13 LEU A 83 -6.852 -14.795 4.138 1.00 0.00 H new ATOM 0 HD21 LEU A 83 -7.265 -15.801 1.256 1.00 0.00 H new ATOM 0 HD22 LEU A 83 -6.931 -14.103 1.671 1.00 0.00 H new ATOM 0 HD23 LEU A 83 -5.885 -14.958 0.512 1.00 0.00 H new ATOM 1262 N TYR A 84 -2.389 -12.388 2.178 1.00 0.00 N ATOM 1263 CA TYR A 84 -1.451 -11.342 2.567 1.00 0.00 C ATOM 1264 C TYR A 84 -2.161 -10.229 3.332 1.00 0.00 C ATOM 1265 O TYR A 84 -3.110 -9.624 2.832 1.00 0.00 O ATOM 1266 CB TYR A 84 -0.758 -10.764 1.331 1.00 0.00 C ATOM 1267 CG TYR A 84 0.075 -11.775 0.576 1.00 0.00 C ATOM 1268 CD1 TYR A 84 -0.522 -12.699 -0.273 1.00 0.00 C ATOM 1269 CD2 TYR A 84 1.457 -11.806 0.711 1.00 0.00 C ATOM 1270 CE1 TYR A 84 0.235 -13.625 -0.965 1.00 0.00 C ATOM 1271 CE2 TYR A 84 2.221 -12.727 0.021 1.00 0.00 C ATOM 1272 CZ TYR A 84 1.606 -13.635 -0.815 1.00 0.00 C ATOM 1273 OH TYR A 84 2.364 -14.555 -1.502 1.00 0.00 O ATOM 0 H TYR A 84 -3.228 -12.048 1.708 1.00 0.00 H new ATOM 0 HA TYR A 84 -0.702 -11.787 3.222 1.00 0.00 H new ATOM 0 HB2 TYR A 84 -1.513 -10.354 0.660 1.00 0.00 H new ATOM 0 HB3 TYR A 84 -0.119 -9.935 1.637 1.00 0.00 H new ATOM 0 HD1 TYR A 84 -1.595 -12.693 -0.394 1.00 0.00 H new ATOM 0 HD2 TYR A 84 1.942 -11.098 1.366 1.00 0.00 H new ATOM 0 HE1 TYR A 84 -0.244 -14.337 -1.620 1.00 0.00 H new ATOM 0 HE2 TYR A 84 3.295 -12.736 0.136 1.00 0.00 H new ATOM 0 HH TYR A 84 3.311 -14.426 -1.285 1.00 0.00 H new ATOM 1283 N ARG A 85 -1.694 -9.965 4.548 1.00 0.00 N ATOM 1284 CA ARG A 85 -2.284 -8.927 5.384 1.00 0.00 C ATOM 1285 C ARG A 85 -1.328 -8.520 6.501 1.00 0.00 C ATOM 1286 O ARG A 85 -0.802 -9.369 7.221 1.00 0.00 O ATOM 1287 CB ARG A 85 -3.606 -9.412 5.981 1.00 0.00 C ATOM 1288 CG ARG A 85 -3.539 -10.824 6.542 1.00 0.00 C ATOM 1289 CD ARG A 85 -4.768 -11.151 7.375 1.00 0.00 C ATOM 1290 NE ARG A 85 -4.819 -12.563 7.746 1.00 0.00 N ATOM 1291 CZ ARG A 85 -5.938 -13.196 8.077 1.00 0.00 C ATOM 1292 NH1 ARG A 85 -7.094 -12.547 8.083 1.00 0.00 N ATOM 1293 NH2 ARG A 85 -5.903 -14.482 8.402 1.00 0.00 N ATOM 0 H ARG A 85 -0.909 -10.456 4.976 1.00 0.00 H new ATOM 0 HA ARG A 85 -2.475 -8.056 4.757 1.00 0.00 H new ATOM 0 HB2 ARG A 85 -3.909 -8.729 6.774 1.00 0.00 H new ATOM 0 HB3 ARG A 85 -4.378 -9.371 5.213 1.00 0.00 H new ATOM 0 HG2 ARG A 85 -3.452 -11.538 5.723 1.00 0.00 H new ATOM 0 HG3 ARG A 85 -2.644 -10.931 7.155 1.00 0.00 H new ATOM 0 HD2 ARG A 85 -4.768 -10.539 8.277 1.00 0.00 H new ATOM 0 HD3 ARG A 85 -5.666 -10.891 6.814 1.00 0.00 H new ATOM 0 HE ARG A 85 -3.947 -13.092 7.751 1.00 0.00 H new ATOM 0 HH11 ARG A 85 -7.125 -11.559 7.833 1.00 0.00 H new ATOM 0 HH12 ARG A 85 -7.952 -13.036 8.338 1.00 0.00 H new ATOM 0 HH21 ARG A 85 -5.016 -14.985 8.398 1.00 0.00 H new ATOM 0 HH22 ARG A 85 -6.763 -14.967 8.656 1.00 0.00 H new ATOM 1307 N ILE A 86 -1.108 -7.217 6.639 1.00 0.00 N ATOM 1308 CA ILE A 86 -0.216 -6.698 7.669 1.00 0.00 C ATOM 1309 C ILE A 86 -0.808 -6.897 9.060 1.00 0.00 C ATOM 1310 O ILE A 86 -0.085 -6.931 10.056 1.00 0.00 O ATOM 1311 CB ILE A 86 0.078 -5.201 7.457 1.00 0.00 C ATOM 1312 CG1 ILE A 86 -1.200 -4.378 7.636 1.00 0.00 C ATOM 1313 CG2 ILE A 86 0.676 -4.969 6.078 1.00 0.00 C ATOM 1314 CD1 ILE A 86 -0.961 -2.885 7.635 1.00 0.00 C ATOM 0 H ILE A 86 -1.535 -6.501 6.051 1.00 0.00 H new ATOM 0 HA ILE A 86 0.716 -7.257 7.590 1.00 0.00 H new ATOM 0 HB ILE A 86 0.803 -4.878 8.204 1.00 0.00 H new ATOM 0 HG12 ILE A 86 -1.898 -4.627 6.836 1.00 0.00 H new ATOM 0 HG13 ILE A 86 -1.677 -4.661 8.575 1.00 0.00 H new ATOM 0 HG21 ILE A 86 0.878 -3.906 5.943 1.00 0.00 H new ATOM 0 HG22 ILE A 86 1.606 -5.530 5.986 1.00 0.00 H new ATOM 0 HG23 ILE A 86 -0.027 -5.304 5.315 1.00 0.00 H new ATOM 0 HD11 ILE A 86 -1.910 -2.365 7.766 1.00 0.00 H new ATOM 0 HD12 ILE A 86 -0.288 -2.624 8.452 1.00 0.00 H new ATOM 0 HD13 ILE A 86 -0.513 -2.589 6.687 1.00 0.00 H new ATOM 1326 N THR A 87 -2.130 -7.029 9.122 1.00 0.00 N ATOM 1327 CA THR A 87 -2.820 -7.225 10.390 1.00 0.00 C ATOM 1328 C THR A 87 -3.833 -8.360 10.295 1.00 0.00 C ATOM 1329 O THR A 87 -4.400 -8.610 9.232 1.00 0.00 O ATOM 1330 CB THR A 87 -3.544 -5.942 10.840 1.00 0.00 C ATOM 1331 OG1 THR A 87 -4.161 -6.149 12.116 1.00 0.00 O ATOM 1332 CG2 THR A 87 -4.597 -5.530 9.823 1.00 0.00 C ATOM 0 H THR A 87 -2.744 -7.004 8.308 1.00 0.00 H new ATOM 0 HA THR A 87 -2.059 -7.481 11.127 1.00 0.00 H new ATOM 0 HB THR A 87 -2.806 -5.144 10.919 1.00 0.00 H new ATOM 0 HG1 THR A 87 -4.618 -5.328 12.396 1.00 0.00 H new ATOM 0 HG21 THR A 87 -5.095 -4.622 10.162 1.00 0.00 H new ATOM 0 HG22 THR A 87 -4.120 -5.345 8.860 1.00 0.00 H new ATOM 0 HG23 THR A 87 -5.332 -6.328 9.716 1.00 0.00 H new ATOM 1340 N GLU A 88 -4.057 -9.043 11.414 1.00 0.00 N ATOM 1341 CA GLU A 88 -5.003 -10.152 11.454 1.00 0.00 C ATOM 1342 C GLU A 88 -6.438 -9.640 11.525 1.00 0.00 C ATOM 1343 O GLU A 88 -7.233 -10.097 12.347 1.00 0.00 O ATOM 1344 CB GLU A 88 -4.712 -11.056 12.655 1.00 0.00 C ATOM 1345 CG GLU A 88 -4.751 -10.328 13.988 1.00 0.00 C ATOM 1346 CD GLU A 88 -6.126 -10.353 14.627 1.00 0.00 C ATOM 1347 OE1 GLU A 88 -6.543 -11.434 15.093 1.00 0.00 O ATOM 1348 OE2 GLU A 88 -6.785 -9.293 14.660 1.00 0.00 O ATOM 0 H GLU A 88 -3.597 -8.848 12.303 1.00 0.00 H new ATOM 0 HA GLU A 88 -4.887 -10.729 10.537 1.00 0.00 H new ATOM 0 HB2 GLU A 88 -5.439 -11.868 12.673 1.00 0.00 H new ATOM 0 HB3 GLU A 88 -3.730 -11.511 12.527 1.00 0.00 H new ATOM 0 HG2 GLU A 88 -4.031 -10.783 14.667 1.00 0.00 H new ATOM 0 HG3 GLU A 88 -4.441 -9.293 13.842 1.00 0.00 H new ATOM 1355 N LYS A 89 -6.764 -8.688 10.658 1.00 0.00 N ATOM 1356 CA LYS A 89 -8.103 -8.112 10.620 1.00 0.00 C ATOM 1357 C LYS A 89 -8.849 -8.553 9.365 1.00 0.00 C ATOM 1358 O LYS A 89 -10.019 -8.934 9.426 1.00 0.00 O ATOM 1359 CB LYS A 89 -8.026 -6.585 10.671 1.00 0.00 C ATOM 1360 CG LYS A 89 -7.740 -6.036 12.057 1.00 0.00 C ATOM 1361 CD LYS A 89 -9.009 -5.556 12.740 1.00 0.00 C ATOM 1362 CE LYS A 89 -9.914 -6.719 13.116 1.00 0.00 C ATOM 1363 NZ LYS A 89 -11.239 -6.254 13.613 1.00 0.00 N ATOM 0 H LYS A 89 -6.118 -8.298 9.971 1.00 0.00 H new ATOM 0 HA LYS A 89 -8.650 -8.471 11.492 1.00 0.00 H new ATOM 0 HB2 LYS A 89 -7.248 -6.246 9.987 1.00 0.00 H new ATOM 0 HB3 LYS A 89 -8.968 -6.170 10.312 1.00 0.00 H new ATOM 0 HG2 LYS A 89 -7.268 -6.808 12.665 1.00 0.00 H new ATOM 0 HG3 LYS A 89 -7.031 -5.211 11.983 1.00 0.00 H new ATOM 0 HD2 LYS A 89 -8.750 -4.991 13.635 1.00 0.00 H new ATOM 0 HD3 LYS A 89 -9.545 -4.876 12.078 1.00 0.00 H new ATOM 0 HE2 LYS A 89 -10.057 -7.363 12.248 1.00 0.00 H new ATOM 0 HE3 LYS A 89 -9.430 -7.322 13.884 1.00 0.00 H new ATOM 0 HZ1 LYS A 89 -11.826 -7.077 13.859 1.00 0.00 H new ATOM 0 HZ2 LYS A 89 -11.105 -5.660 14.456 1.00 0.00 H new ATOM 0 HZ3 LYS A 89 -11.713 -5.700 12.872 1.00 0.00 H new ATOM 1377 N LYS A 90 -8.165 -8.501 8.227 1.00 0.00 N ATOM 1378 CA LYS A 90 -8.762 -8.897 6.956 1.00 0.00 C ATOM 1379 C LYS A 90 -7.688 -9.336 5.965 1.00 0.00 C ATOM 1380 O LYS A 90 -6.833 -8.543 5.571 1.00 0.00 O ATOM 1381 CB LYS A 90 -9.573 -7.740 6.367 1.00 0.00 C ATOM 1382 CG LYS A 90 -10.766 -8.192 5.543 1.00 0.00 C ATOM 1383 CD LYS A 90 -10.379 -8.447 4.096 1.00 0.00 C ATOM 1384 CE LYS A 90 -11.573 -8.296 3.166 1.00 0.00 C ATOM 1385 NZ LYS A 90 -11.355 -8.989 1.866 1.00 0.00 N ATOM 0 H LYS A 90 -7.196 -8.188 8.158 1.00 0.00 H new ATOM 0 HA LYS A 90 -9.427 -9.740 7.142 1.00 0.00 H new ATOM 0 HB2 LYS A 90 -9.923 -7.102 7.179 1.00 0.00 H new ATOM 0 HB3 LYS A 90 -8.920 -7.131 5.742 1.00 0.00 H new ATOM 0 HG2 LYS A 90 -11.184 -9.101 5.975 1.00 0.00 H new ATOM 0 HG3 LYS A 90 -11.546 -7.432 5.584 1.00 0.00 H new ATOM 0 HD2 LYS A 90 -9.595 -7.750 3.800 1.00 0.00 H new ATOM 0 HD3 LYS A 90 -9.966 -9.451 4.000 1.00 0.00 H new ATOM 0 HE2 LYS A 90 -12.463 -8.701 3.649 1.00 0.00 H new ATOM 0 HE3 LYS A 90 -11.762 -7.238 2.986 1.00 0.00 H new ATOM 0 HZ1 LYS A 90 -12.162 -8.806 1.236 1.00 0.00 H new ATOM 0 HZ2 LYS A 90 -10.483 -8.633 1.425 1.00 0.00 H new ATOM 0 HZ3 LYS A 90 -11.268 -10.013 2.029 1.00 0.00 H new ATOM 1399 N ALA A 91 -7.740 -10.602 5.566 1.00 0.00 N ATOM 1400 CA ALA A 91 -6.775 -11.145 4.618 1.00 0.00 C ATOM 1401 C ALA A 91 -7.304 -11.065 3.190 1.00 0.00 C ATOM 1402 O ALA A 91 -8.514 -11.049 2.965 1.00 0.00 O ATOM 1403 CB ALA A 91 -6.434 -12.583 4.978 1.00 0.00 C ATOM 0 H ALA A 91 -8.441 -11.271 5.885 1.00 0.00 H new ATOM 0 HA ALA A 91 -5.868 -10.543 4.675 1.00 0.00 H new ATOM 0 HB1 ALA A 91 -5.712 -12.976 4.262 1.00 0.00 H new ATOM 0 HB2 ALA A 91 -6.006 -12.615 5.980 1.00 0.00 H new ATOM 0 HB3 ALA A 91 -7.339 -13.189 4.951 1.00 0.00 H new ATOM 1409 N PHE A 92 -6.389 -11.016 2.227 1.00 0.00 N ATOM 1410 CA PHE A 92 -6.763 -10.936 0.820 1.00 0.00 C ATOM 1411 C PHE A 92 -6.024 -11.990 0.001 1.00 0.00 C ATOM 1412 O PHE A 92 -4.982 -12.497 0.416 1.00 0.00 O ATOM 1413 CB PHE A 92 -6.462 -9.541 0.269 1.00 0.00 C ATOM 1414 CG PHE A 92 -7.045 -8.431 1.095 1.00 0.00 C ATOM 1415 CD1 PHE A 92 -6.517 -8.125 2.339 1.00 0.00 C ATOM 1416 CD2 PHE A 92 -8.120 -7.692 0.628 1.00 0.00 C ATOM 1417 CE1 PHE A 92 -7.052 -7.104 3.102 1.00 0.00 C ATOM 1418 CE2 PHE A 92 -8.659 -6.670 1.386 1.00 0.00 C ATOM 1419 CZ PHE A 92 -8.123 -6.375 2.625 1.00 0.00 C ATOM 0 H PHE A 92 -5.383 -11.030 2.396 1.00 0.00 H new ATOM 0 HA PHE A 92 -7.834 -11.126 0.742 1.00 0.00 H new ATOM 0 HB2 PHE A 92 -5.382 -9.409 0.208 1.00 0.00 H new ATOM 0 HB3 PHE A 92 -6.850 -9.469 -0.747 1.00 0.00 H new ATOM 0 HD1 PHE A 92 -5.678 -8.691 2.717 1.00 0.00 H new ATOM 0 HD2 PHE A 92 -8.542 -7.917 -0.340 1.00 0.00 H new ATOM 0 HE1 PHE A 92 -6.632 -6.877 4.071 1.00 0.00 H new ATOM 0 HE2 PHE A 92 -9.498 -6.103 1.011 1.00 0.00 H new ATOM 0 HZ PHE A 92 -8.541 -5.576 3.219 1.00 0.00 H new ATOM 1429 N ARG A 93 -6.573 -12.315 -1.166 1.00 0.00 N ATOM 1430 CA ARG A 93 -5.968 -13.310 -2.043 1.00 0.00 C ATOM 1431 C ARG A 93 -4.499 -12.986 -2.300 1.00 0.00 C ATOM 1432 O ARG A 93 -3.648 -13.875 -2.298 1.00 0.00 O ATOM 1433 CB ARG A 93 -6.726 -13.378 -3.371 1.00 0.00 C ATOM 1434 CG ARG A 93 -8.218 -13.614 -3.208 1.00 0.00 C ATOM 1435 CD ARG A 93 -8.549 -15.098 -3.191 1.00 0.00 C ATOM 1436 NE ARG A 93 -8.474 -15.691 -4.524 1.00 0.00 N ATOM 1437 CZ ARG A 93 -7.399 -16.317 -4.990 1.00 0.00 C ATOM 1438 NH1 ARG A 93 -6.315 -16.432 -4.235 1.00 0.00 N ATOM 1439 NH2 ARG A 93 -7.407 -16.831 -6.213 1.00 0.00 N ATOM 0 H ARG A 93 -7.435 -11.904 -1.525 1.00 0.00 H new ATOM 0 HA ARG A 93 -6.028 -14.279 -1.548 1.00 0.00 H new ATOM 0 HB2 ARG A 93 -6.571 -12.447 -3.916 1.00 0.00 H new ATOM 0 HB3 ARG A 93 -6.304 -14.178 -3.980 1.00 0.00 H new ATOM 0 HG2 ARG A 93 -8.561 -13.153 -2.282 1.00 0.00 H new ATOM 0 HG3 ARG A 93 -8.755 -13.130 -4.023 1.00 0.00 H new ATOM 0 HD2 ARG A 93 -7.859 -15.616 -2.525 1.00 0.00 H new ATOM 0 HD3 ARG A 93 -9.551 -15.241 -2.786 1.00 0.00 H new ATOM 0 HE ARG A 93 -9.292 -15.621 -5.130 1.00 0.00 H new ATOM 0 HH11 ARG A 93 -6.305 -16.039 -3.294 1.00 0.00 H new ATOM 0 HH12 ARG A 93 -5.491 -16.913 -4.596 1.00 0.00 H new ATOM 0 HH21 ARG A 93 -8.239 -16.746 -6.797 1.00 0.00 H new ATOM 0 HH22 ARG A 93 -6.581 -17.311 -6.570 1.00 0.00 H new ATOM 1453 N GLY A 94 -4.209 -11.708 -2.522 1.00 0.00 N ATOM 1454 CA GLY A 94 -2.843 -11.290 -2.778 1.00 0.00 C ATOM 1455 C GLY A 94 -2.631 -9.811 -2.521 1.00 0.00 C ATOM 1456 O GLY A 94 -3.578 -9.084 -2.217 1.00 0.00 O ATOM 0 H GLY A 94 -4.896 -10.954 -2.529 1.00 0.00 H new ATOM 0 HA2 GLY A 94 -2.166 -11.866 -2.147 1.00 0.00 H new ATOM 0 HA3 GLY A 94 -2.585 -11.516 -3.813 1.00 0.00 H new ATOM 1460 N LEU A 95 -1.386 -9.364 -2.640 1.00 0.00 N ATOM 1461 CA LEU A 95 -1.052 -7.962 -2.417 1.00 0.00 C ATOM 1462 C LEU A 95 -2.010 -7.047 -3.171 1.00 0.00 C ATOM 1463 O LEU A 95 -2.697 -6.218 -2.572 1.00 0.00 O ATOM 1464 CB LEU A 95 0.387 -7.685 -2.855 1.00 0.00 C ATOM 1465 CG LEU A 95 1.471 -7.957 -1.811 1.00 0.00 C ATOM 1466 CD1 LEU A 95 1.570 -6.799 -0.830 1.00 0.00 C ATOM 1467 CD2 LEU A 95 1.188 -9.259 -1.075 1.00 0.00 C ATOM 0 H LEU A 95 -0.591 -9.952 -2.890 1.00 0.00 H new ATOM 0 HA LEU A 95 -1.147 -7.757 -1.351 1.00 0.00 H new ATOM 0 HB2 LEU A 95 0.600 -8.290 -3.737 1.00 0.00 H new ATOM 0 HB3 LEU A 95 0.458 -6.641 -3.160 1.00 0.00 H new ATOM 0 HG LEU A 95 2.427 -8.054 -2.325 1.00 0.00 H new ATOM 0 HD11 LEU A 95 2.346 -7.010 -0.095 1.00 0.00 H new ATOM 0 HD12 LEU A 95 1.820 -5.886 -1.369 1.00 0.00 H new ATOM 0 HD13 LEU A 95 0.614 -6.670 -0.322 1.00 0.00 H new ATOM 0 HD21 LEU A 95 1.969 -9.437 -0.336 1.00 0.00 H new ATOM 0 HD22 LEU A 95 0.223 -9.191 -0.573 1.00 0.00 H new ATOM 0 HD23 LEU A 95 1.169 -10.083 -1.788 1.00 0.00 H new ATOM 1479 N THR A 96 -2.054 -7.203 -4.491 1.00 0.00 N ATOM 1480 CA THR A 96 -2.929 -6.391 -5.328 1.00 0.00 C ATOM 1481 C THR A 96 -4.214 -6.029 -4.591 1.00 0.00 C ATOM 1482 O THR A 96 -4.682 -4.894 -4.664 1.00 0.00 O ATOM 1483 CB THR A 96 -3.289 -7.120 -6.636 1.00 0.00 C ATOM 1484 OG1 THR A 96 -2.110 -7.678 -7.227 1.00 0.00 O ATOM 1485 CG2 THR A 96 -3.955 -6.169 -7.620 1.00 0.00 C ATOM 0 H THR A 96 -1.494 -7.884 -5.003 1.00 0.00 H new ATOM 0 HA THR A 96 -2.381 -5.479 -5.567 1.00 0.00 H new ATOM 0 HB THR A 96 -3.989 -7.921 -6.399 1.00 0.00 H new ATOM 0 HG1 THR A 96 -1.450 -6.969 -7.372 1.00 0.00 H new ATOM 0 HG21 THR A 96 -4.200 -6.706 -8.536 1.00 0.00 H new ATOM 0 HG22 THR A 96 -4.868 -5.769 -7.179 1.00 0.00 H new ATOM 0 HG23 THR A 96 -3.275 -5.349 -7.851 1.00 0.00 H new ATOM 1493 N GLU A 97 -4.778 -7.002 -3.882 1.00 0.00 N ATOM 1494 CA GLU A 97 -6.010 -6.784 -3.132 1.00 0.00 C ATOM 1495 C GLU A 97 -5.723 -6.079 -1.809 1.00 0.00 C ATOM 1496 O GLU A 97 -6.252 -4.999 -1.541 1.00 0.00 O ATOM 1497 CB GLU A 97 -6.717 -8.115 -2.871 1.00 0.00 C ATOM 1498 CG GLU A 97 -7.237 -8.786 -4.131 1.00 0.00 C ATOM 1499 CD GLU A 97 -8.378 -8.018 -4.771 1.00 0.00 C ATOM 1500 OE1 GLU A 97 -8.100 -7.099 -5.569 1.00 0.00 O ATOM 1501 OE2 GLU A 97 -9.548 -8.338 -4.474 1.00 0.00 O ATOM 0 H GLU A 97 -4.402 -7.948 -3.811 1.00 0.00 H new ATOM 0 HA GLU A 97 -6.662 -6.147 -3.730 1.00 0.00 H new ATOM 0 HB2 GLU A 97 -6.026 -8.791 -2.368 1.00 0.00 H new ATOM 0 HB3 GLU A 97 -7.550 -7.946 -2.189 1.00 0.00 H new ATOM 0 HG2 GLU A 97 -6.422 -8.885 -4.849 1.00 0.00 H new ATOM 0 HG3 GLU A 97 -7.573 -9.794 -3.889 1.00 0.00 H new ATOM 1508 N LEU A 98 -4.885 -6.698 -0.986 1.00 0.00 N ATOM 1509 CA LEU A 98 -4.528 -6.131 0.310 1.00 0.00 C ATOM 1510 C LEU A 98 -4.262 -4.633 0.195 1.00 0.00 C ATOM 1511 O LEU A 98 -4.722 -3.846 1.022 1.00 0.00 O ATOM 1512 CB LEU A 98 -3.294 -6.837 0.875 1.00 0.00 C ATOM 1513 CG LEU A 98 -2.876 -6.431 2.289 1.00 0.00 C ATOM 1514 CD1 LEU A 98 -1.904 -5.263 2.243 1.00 0.00 C ATOM 1515 CD2 LEU A 98 -4.098 -6.078 3.125 1.00 0.00 C ATOM 0 H LEU A 98 -4.440 -7.592 -1.192 1.00 0.00 H new ATOM 0 HA LEU A 98 -5.368 -6.281 0.988 1.00 0.00 H new ATOM 0 HB2 LEU A 98 -3.479 -7.911 0.867 1.00 0.00 H new ATOM 0 HB3 LEU A 98 -2.456 -6.653 0.203 1.00 0.00 H new ATOM 0 HG LEU A 98 -2.373 -7.277 2.756 1.00 0.00 H new ATOM 0 HD11 LEU A 98 -1.618 -4.988 3.258 1.00 0.00 H new ATOM 0 HD12 LEU A 98 -1.016 -5.551 1.681 1.00 0.00 H new ATOM 0 HD13 LEU A 98 -2.381 -4.412 1.757 1.00 0.00 H new ATOM 0 HD21 LEU A 98 -3.782 -5.791 4.128 1.00 0.00 H new ATOM 0 HD22 LEU A 98 -4.629 -5.247 2.661 1.00 0.00 H new ATOM 0 HD23 LEU A 98 -4.759 -6.942 3.186 1.00 0.00 H new ATOM 1527 N VAL A 99 -3.519 -4.247 -0.837 1.00 0.00 N ATOM 1528 CA VAL A 99 -3.195 -2.843 -1.062 1.00 0.00 C ATOM 1529 C VAL A 99 -4.431 -2.055 -1.483 1.00 0.00 C ATOM 1530 O VAL A 99 -4.669 -0.950 -0.997 1.00 0.00 O ATOM 1531 CB VAL A 99 -2.107 -2.684 -2.140 1.00 0.00 C ATOM 1532 CG1 VAL A 99 -1.830 -1.213 -2.407 1.00 0.00 C ATOM 1533 CG2 VAL A 99 -0.835 -3.407 -1.723 1.00 0.00 C ATOM 0 H VAL A 99 -3.130 -4.886 -1.530 1.00 0.00 H new ATOM 0 HA VAL A 99 -2.820 -2.449 -0.117 1.00 0.00 H new ATOM 0 HB VAL A 99 -2.468 -3.134 -3.065 1.00 0.00 H new ATOM 0 HG11 VAL A 99 -1.059 -1.121 -3.171 1.00 0.00 H new ATOM 0 HG12 VAL A 99 -2.743 -0.728 -2.752 1.00 0.00 H new ATOM 0 HG13 VAL A 99 -1.490 -0.734 -1.489 1.00 0.00 H new ATOM 0 HG21 VAL A 99 -0.077 -3.284 -2.496 1.00 0.00 H new ATOM 0 HG22 VAL A 99 -0.469 -2.988 -0.786 1.00 0.00 H new ATOM 0 HG23 VAL A 99 -1.047 -4.468 -1.588 1.00 0.00 H new ATOM 1543 N GLU A 100 -5.214 -2.632 -2.389 1.00 0.00 N ATOM 1544 CA GLU A 100 -6.425 -1.982 -2.876 1.00 0.00 C ATOM 1545 C GLU A 100 -7.324 -1.568 -1.714 1.00 0.00 C ATOM 1546 O GLU A 100 -7.846 -0.453 -1.685 1.00 0.00 O ATOM 1547 CB GLU A 100 -7.188 -2.916 -3.818 1.00 0.00 C ATOM 1548 CG GLU A 100 -6.827 -2.731 -5.282 1.00 0.00 C ATOM 1549 CD GLU A 100 -7.989 -3.022 -6.211 1.00 0.00 C ATOM 1550 OE1 GLU A 100 -8.908 -2.181 -6.294 1.00 0.00 O ATOM 1551 OE2 GLU A 100 -7.979 -4.093 -6.855 1.00 0.00 O ATOM 0 H GLU A 100 -5.032 -3.547 -2.800 1.00 0.00 H new ATOM 0 HA GLU A 100 -6.132 -1.086 -3.423 1.00 0.00 H new ATOM 0 HB2 GLU A 100 -6.990 -3.949 -3.531 1.00 0.00 H new ATOM 0 HB3 GLU A 100 -8.258 -2.750 -3.693 1.00 0.00 H new ATOM 0 HG2 GLU A 100 -6.486 -1.708 -5.442 1.00 0.00 H new ATOM 0 HG3 GLU A 100 -5.993 -3.387 -5.532 1.00 0.00 H new ATOM 1558 N PHE A 101 -7.501 -2.474 -0.758 1.00 0.00 N ATOM 1559 CA PHE A 101 -8.338 -2.205 0.405 1.00 0.00 C ATOM 1560 C PHE A 101 -7.783 -1.037 1.216 1.00 0.00 C ATOM 1561 O PHE A 101 -8.537 -0.217 1.740 1.00 0.00 O ATOM 1562 CB PHE A 101 -8.438 -3.451 1.287 1.00 0.00 C ATOM 1563 CG PHE A 101 -9.425 -3.312 2.411 1.00 0.00 C ATOM 1564 CD1 PHE A 101 -10.752 -3.669 2.234 1.00 0.00 C ATOM 1565 CD2 PHE A 101 -9.025 -2.823 3.645 1.00 0.00 C ATOM 1566 CE1 PHE A 101 -11.662 -3.543 3.267 1.00 0.00 C ATOM 1567 CE2 PHE A 101 -9.931 -2.694 4.681 1.00 0.00 C ATOM 1568 CZ PHE A 101 -11.251 -3.054 4.491 1.00 0.00 C ATOM 0 H PHE A 101 -7.076 -3.401 -0.766 1.00 0.00 H new ATOM 0 HA PHE A 101 -9.334 -1.938 0.051 1.00 0.00 H new ATOM 0 HB2 PHE A 101 -8.721 -4.303 0.668 1.00 0.00 H new ATOM 0 HB3 PHE A 101 -7.455 -3.672 1.703 1.00 0.00 H new ATOM 0 HD1 PHE A 101 -11.079 -4.050 1.278 1.00 0.00 H new ATOM 0 HD2 PHE A 101 -7.994 -2.540 3.799 1.00 0.00 H new ATOM 0 HE1 PHE A 101 -12.693 -3.827 3.117 1.00 0.00 H new ATOM 0 HE2 PHE A 101 -9.607 -2.312 5.638 1.00 0.00 H new ATOM 0 HZ PHE A 101 -11.961 -2.953 5.299 1.00 0.00 H new ATOM 1578 N TYR A 102 -6.460 -0.970 1.315 1.00 0.00 N ATOM 1579 CA TYR A 102 -5.802 0.094 2.064 1.00 0.00 C ATOM 1580 C TYR A 102 -5.794 1.396 1.268 1.00 0.00 C ATOM 1581 O TYR A 102 -5.641 2.479 1.832 1.00 0.00 O ATOM 1582 CB TYR A 102 -4.370 -0.311 2.416 1.00 0.00 C ATOM 1583 CG TYR A 102 -4.285 -1.344 3.516 1.00 0.00 C ATOM 1584 CD1 TYR A 102 -5.154 -1.307 4.600 1.00 0.00 C ATOM 1585 CD2 TYR A 102 -3.337 -2.359 3.472 1.00 0.00 C ATOM 1586 CE1 TYR A 102 -5.080 -2.248 5.608 1.00 0.00 C ATOM 1587 CE2 TYR A 102 -3.256 -3.305 4.475 1.00 0.00 C ATOM 1588 CZ TYR A 102 -4.129 -3.245 5.541 1.00 0.00 C ATOM 1589 OH TYR A 102 -4.053 -4.186 6.543 1.00 0.00 O ATOM 0 H TYR A 102 -5.822 -1.640 0.886 1.00 0.00 H new ATOM 0 HA TYR A 102 -6.363 0.256 2.985 1.00 0.00 H new ATOM 0 HB2 TYR A 102 -3.882 -0.703 1.523 1.00 0.00 H new ATOM 0 HB3 TYR A 102 -3.815 0.577 2.719 1.00 0.00 H new ATOM 0 HD1 TYR A 102 -5.900 -0.528 4.655 1.00 0.00 H new ATOM 0 HD2 TYR A 102 -2.652 -2.409 2.639 1.00 0.00 H new ATOM 0 HE1 TYR A 102 -5.763 -2.204 6.444 1.00 0.00 H new ATOM 0 HE2 TYR A 102 -2.513 -4.087 4.425 1.00 0.00 H new ATOM 0 HH TYR A 102 -4.028 -3.736 7.413 1.00 0.00 H new ATOM 1599 N GLN A 103 -5.962 1.279 -0.045 1.00 0.00 N ATOM 1600 CA GLN A 103 -5.974 2.446 -0.919 1.00 0.00 C ATOM 1601 C GLN A 103 -7.206 3.307 -0.661 1.00 0.00 C ATOM 1602 O GLN A 103 -7.228 4.491 -0.997 1.00 0.00 O ATOM 1603 CB GLN A 103 -5.938 2.012 -2.385 1.00 0.00 C ATOM 1604 CG GLN A 103 -4.545 1.662 -2.883 1.00 0.00 C ATOM 1605 CD GLN A 103 -4.557 1.061 -4.275 1.00 0.00 C ATOM 1606 OE1 GLN A 103 -5.617 0.770 -4.829 1.00 0.00 O ATOM 1607 NE2 GLN A 103 -3.374 0.873 -4.848 1.00 0.00 N ATOM 0 H GLN A 103 -6.092 0.389 -0.527 1.00 0.00 H new ATOM 0 HA GLN A 103 -5.086 3.040 -0.702 1.00 0.00 H new ATOM 0 HB2 GLN A 103 -6.589 1.147 -2.515 1.00 0.00 H new ATOM 0 HB3 GLN A 103 -6.345 2.813 -3.002 1.00 0.00 H new ATOM 0 HG2 GLN A 103 -3.927 2.560 -2.884 1.00 0.00 H new ATOM 0 HG3 GLN A 103 -4.082 0.958 -2.191 1.00 0.00 H new ATOM 0 HE21 GLN A 103 -2.520 1.129 -4.352 1.00 0.00 H new ATOM 0 HE22 GLN A 103 -3.319 0.473 -5.785 1.00 0.00 H new ATOM 1616 N GLN A 104 -8.228 2.704 -0.064 1.00 0.00 N ATOM 1617 CA GLN A 104 -9.464 3.416 0.238 1.00 0.00 C ATOM 1618 C GLN A 104 -9.577 3.702 1.732 1.00 0.00 C ATOM 1619 O GLN A 104 -10.269 4.632 2.145 1.00 0.00 O ATOM 1620 CB GLN A 104 -10.673 2.605 -0.230 1.00 0.00 C ATOM 1621 CG GLN A 104 -10.566 1.120 0.079 1.00 0.00 C ATOM 1622 CD GLN A 104 -11.910 0.421 0.056 1.00 0.00 C ATOM 1623 OE1 GLN A 104 -12.944 1.045 -0.185 1.00 0.00 O ATOM 1624 NE2 GLN A 104 -11.904 -0.883 0.307 1.00 0.00 N ATOM 0 H GLN A 104 -8.225 1.724 0.220 1.00 0.00 H new ATOM 0 HA GLN A 104 -9.445 4.366 -0.295 1.00 0.00 H new ATOM 0 HB2 GLN A 104 -11.571 3.002 0.242 1.00 0.00 H new ATOM 0 HB3 GLN A 104 -10.794 2.736 -1.305 1.00 0.00 H new ATOM 0 HG2 GLN A 104 -9.903 0.649 -0.647 1.00 0.00 H new ATOM 0 HG3 GLN A 104 -10.109 0.989 1.060 1.00 0.00 H new ATOM 0 HE21 GLN A 104 -11.024 -1.361 0.502 1.00 0.00 H new ATOM 0 HE22 GLN A 104 -12.779 -1.407 0.305 1.00 0.00 H new ATOM 1633 N ASN A 105 -8.892 2.896 2.537 1.00 0.00 N ATOM 1634 CA ASN A 105 -8.917 3.062 3.986 1.00 0.00 C ATOM 1635 C ASN A 105 -7.520 3.360 4.523 1.00 0.00 C ATOM 1636 O ASN A 105 -6.533 2.782 4.067 1.00 0.00 O ATOM 1637 CB ASN A 105 -9.475 1.805 4.655 1.00 0.00 C ATOM 1638 CG ASN A 105 -10.842 1.424 4.119 1.00 0.00 C ATOM 1639 OD1 ASN A 105 -11.868 1.872 4.630 1.00 0.00 O ATOM 1640 ND2 ASN A 105 -10.861 0.592 3.084 1.00 0.00 N ATOM 0 H ASN A 105 -8.313 2.122 2.211 1.00 0.00 H new ATOM 0 HA ASN A 105 -9.565 3.907 4.219 1.00 0.00 H new ATOM 0 HB2 ASN A 105 -8.783 0.977 4.501 1.00 0.00 H new ATOM 0 HB3 ASN A 105 -9.542 1.968 5.731 1.00 0.00 H new ATOM 0 HD21 ASN A 105 -11.751 0.300 2.681 1.00 0.00 H new ATOM 0 HD22 ASN A 105 -9.985 0.245 2.692 1.00 0.00 H new ATOM 1647 N SER A 106 -7.445 4.264 5.494 1.00 0.00 N ATOM 1648 CA SER A 106 -6.169 4.641 6.092 1.00 0.00 C ATOM 1649 C SER A 106 -5.575 3.478 6.880 1.00 0.00 C ATOM 1650 O SER A 106 -6.301 2.663 7.450 1.00 0.00 O ATOM 1651 CB SER A 106 -6.349 5.854 7.006 1.00 0.00 C ATOM 1652 OG SER A 106 -5.104 6.291 7.524 1.00 0.00 O ATOM 0 H SER A 106 -8.253 4.749 5.884 1.00 0.00 H new ATOM 0 HA SER A 106 -5.481 4.901 5.288 1.00 0.00 H new ATOM 0 HB2 SER A 106 -6.820 6.665 6.451 1.00 0.00 H new ATOM 0 HB3 SER A 106 -7.019 5.598 7.827 1.00 0.00 H new ATOM 0 HG SER A 106 -5.117 7.265 7.627 1.00 0.00 H new ATOM 1658 N LEU A 107 -4.248 3.408 6.908 1.00 0.00 N ATOM 1659 CA LEU A 107 -3.553 2.346 7.627 1.00 0.00 C ATOM 1660 C LEU A 107 -3.660 2.548 9.135 1.00 0.00 C ATOM 1661 O LEU A 107 -3.310 1.665 9.918 1.00 0.00 O ATOM 1662 CB LEU A 107 -2.082 2.299 7.210 1.00 0.00 C ATOM 1663 CG LEU A 107 -1.783 1.601 5.883 1.00 0.00 C ATOM 1664 CD1 LEU A 107 -1.793 0.091 6.060 1.00 0.00 C ATOM 1665 CD2 LEU A 107 -2.787 2.022 4.820 1.00 0.00 C ATOM 0 H LEU A 107 -3.632 4.074 6.441 1.00 0.00 H new ATOM 0 HA LEU A 107 -4.027 1.398 7.372 1.00 0.00 H new ATOM 0 HB2 LEU A 107 -1.709 3.321 7.152 1.00 0.00 H new ATOM 0 HB3 LEU A 107 -1.518 1.798 7.997 1.00 0.00 H new ATOM 0 HG LEU A 107 -0.788 1.901 5.553 1.00 0.00 H new ATOM 0 HD11 LEU A 107 -1.578 -0.389 5.105 1.00 0.00 H new ATOM 0 HD12 LEU A 107 -1.034 -0.195 6.788 1.00 0.00 H new ATOM 0 HD13 LEU A 107 -2.774 -0.227 6.414 1.00 0.00 H new ATOM 0 HD21 LEU A 107 -2.558 1.515 3.882 1.00 0.00 H new ATOM 0 HD22 LEU A 107 -3.793 1.752 5.142 1.00 0.00 H new ATOM 0 HD23 LEU A 107 -2.730 3.100 4.673 1.00 0.00 H new ATOM 1677 N LYS A 108 -4.149 3.716 9.537 1.00 0.00 N ATOM 1678 CA LYS A 108 -4.306 4.035 10.951 1.00 0.00 C ATOM 1679 C LYS A 108 -4.855 2.838 11.721 1.00 0.00 C ATOM 1680 O LYS A 108 -4.376 2.515 12.808 1.00 0.00 O ATOM 1681 CB LYS A 108 -5.239 5.236 11.124 1.00 0.00 C ATOM 1682 CG LYS A 108 -6.688 4.934 10.784 1.00 0.00 C ATOM 1683 CD LYS A 108 -7.583 6.136 11.039 1.00 0.00 C ATOM 1684 CE LYS A 108 -9.052 5.786 10.859 1.00 0.00 C ATOM 1685 NZ LYS A 108 -9.876 6.990 10.558 1.00 0.00 N ATOM 0 H LYS A 108 -4.444 4.458 8.903 1.00 0.00 H new ATOM 0 HA LYS A 108 -3.324 4.284 11.352 1.00 0.00 H new ATOM 0 HB2 LYS A 108 -5.182 5.585 12.155 1.00 0.00 H new ATOM 0 HB3 LYS A 108 -4.889 6.052 10.492 1.00 0.00 H new ATOM 0 HG2 LYS A 108 -6.763 4.639 9.737 1.00 0.00 H new ATOM 0 HG3 LYS A 108 -7.034 4.089 11.379 1.00 0.00 H new ATOM 0 HD2 LYS A 108 -7.417 6.506 12.051 1.00 0.00 H new ATOM 0 HD3 LYS A 108 -7.314 6.942 10.357 1.00 0.00 H new ATOM 0 HE2 LYS A 108 -9.157 5.063 10.050 1.00 0.00 H new ATOM 0 HE3 LYS A 108 -9.425 5.308 11.765 1.00 0.00 H new ATOM 0 HZ1 LYS A 108 -10.871 6.710 10.442 1.00 0.00 H new ATOM 0 HZ2 LYS A 108 -9.797 7.670 11.341 1.00 0.00 H new ATOM 0 HZ3 LYS A 108 -9.537 7.432 9.680 1.00 0.00 H new ATOM 1699 N ASP A 109 -5.859 2.182 11.149 1.00 0.00 N ATOM 1700 CA ASP A 109 -6.470 1.018 11.781 1.00 0.00 C ATOM 1701 C ASP A 109 -5.404 0.074 12.327 1.00 0.00 C ATOM 1702 O ASP A 109 -5.466 -0.347 13.483 1.00 0.00 O ATOM 1703 CB ASP A 109 -7.361 0.279 10.782 1.00 0.00 C ATOM 1704 CG ASP A 109 -8.278 -0.724 11.455 1.00 0.00 C ATOM 1705 OD1 ASP A 109 -8.975 -0.338 12.417 1.00 0.00 O ATOM 1706 OD2 ASP A 109 -8.298 -1.894 11.020 1.00 0.00 O ATOM 0 H ASP A 109 -6.267 2.436 10.249 1.00 0.00 H new ATOM 0 HA ASP A 109 -7.082 1.366 12.614 1.00 0.00 H new ATOM 0 HB2 ASP A 109 -7.961 1.003 10.231 1.00 0.00 H new ATOM 0 HB3 ASP A 109 -6.735 -0.237 10.054 1.00 0.00 H new ATOM 1711 N CYS A 110 -4.427 -0.256 11.489 1.00 0.00 N ATOM 1712 CA CYS A 110 -3.348 -1.153 11.887 1.00 0.00 C ATOM 1713 C CYS A 110 -2.261 -0.394 12.640 1.00 0.00 C ATOM 1714 O CYS A 110 -1.673 -0.911 13.591 1.00 0.00 O ATOM 1715 CB CYS A 110 -2.750 -1.841 10.659 1.00 0.00 C ATOM 1716 SG CYS A 110 -3.979 -2.467 9.491 1.00 0.00 S ATOM 0 H CYS A 110 -4.360 0.084 10.530 1.00 0.00 H new ATOM 0 HA CYS A 110 -3.764 -1.910 12.552 1.00 0.00 H new ATOM 0 HB2 CYS A 110 -2.099 -1.136 10.142 1.00 0.00 H new ATOM 0 HB3 CYS A 110 -2.124 -2.670 10.989 1.00 0.00 H new ATOM 0 HG CYS A 110 -3.881 -1.819 8.368 1.00 0.00 H new ATOM 1722 N PHE A 111 -1.997 0.835 12.209 1.00 0.00 N ATOM 1723 CA PHE A 111 -0.978 1.665 12.841 1.00 0.00 C ATOM 1724 C PHE A 111 -1.490 3.086 13.057 1.00 0.00 C ATOM 1725 O PHE A 111 -1.294 3.963 12.216 1.00 0.00 O ATOM 1726 CB PHE A 111 0.291 1.692 11.986 1.00 0.00 C ATOM 1727 CG PHE A 111 1.017 0.378 11.950 1.00 0.00 C ATOM 1728 CD1 PHE A 111 1.897 0.029 12.962 1.00 0.00 C ATOM 1729 CD2 PHE A 111 0.820 -0.509 10.904 1.00 0.00 C ATOM 1730 CE1 PHE A 111 2.567 -1.179 12.931 1.00 0.00 C ATOM 1731 CE2 PHE A 111 1.488 -1.719 10.867 1.00 0.00 C ATOM 1732 CZ PHE A 111 2.362 -2.054 11.883 1.00 0.00 C ATOM 0 H PHE A 111 -2.475 1.278 11.424 1.00 0.00 H new ATOM 0 HA PHE A 111 -0.744 1.231 13.813 1.00 0.00 H new ATOM 0 HB2 PHE A 111 0.028 1.981 10.968 1.00 0.00 H new ATOM 0 HB3 PHE A 111 0.963 2.459 12.371 1.00 0.00 H new ATOM 0 HD1 PHE A 111 2.061 0.709 13.785 1.00 0.00 H new ATOM 0 HD2 PHE A 111 0.137 -0.252 10.108 1.00 0.00 H new ATOM 0 HE1 PHE A 111 3.250 -1.438 13.726 1.00 0.00 H new ATOM 0 HE2 PHE A 111 1.327 -2.401 10.045 1.00 0.00 H new ATOM 0 HZ PHE A 111 2.884 -2.999 11.858 1.00 0.00 H new ATOM 1742 N LYS A 112 -2.149 3.305 14.189 1.00 0.00 N ATOM 1743 CA LYS A 112 -2.690 4.619 14.518 1.00 0.00 C ATOM 1744 C LYS A 112 -1.689 5.719 14.183 1.00 0.00 C ATOM 1745 O LYS A 112 -2.043 6.731 13.578 1.00 0.00 O ATOM 1746 CB LYS A 112 -3.059 4.685 16.002 1.00 0.00 C ATOM 1747 CG LYS A 112 -4.104 5.739 16.323 1.00 0.00 C ATOM 1748 CD LYS A 112 -4.903 5.374 17.562 1.00 0.00 C ATOM 1749 CE LYS A 112 -5.919 6.451 17.908 1.00 0.00 C ATOM 1750 NZ LYS A 112 -6.967 5.947 18.838 1.00 0.00 N ATOM 0 H LYS A 112 -2.322 2.589 14.895 1.00 0.00 H new ATOM 0 HA LYS A 112 -3.588 4.774 13.920 1.00 0.00 H new ATOM 0 HB2 LYS A 112 -3.429 3.710 16.319 1.00 0.00 H new ATOM 0 HB3 LYS A 112 -2.159 4.889 16.583 1.00 0.00 H new ATOM 0 HG2 LYS A 112 -3.616 6.702 16.474 1.00 0.00 H new ATOM 0 HG3 LYS A 112 -4.779 5.854 15.475 1.00 0.00 H new ATOM 0 HD2 LYS A 112 -5.417 4.427 17.399 1.00 0.00 H new ATOM 0 HD3 LYS A 112 -4.225 5.228 18.403 1.00 0.00 H new ATOM 0 HE2 LYS A 112 -5.408 7.300 18.363 1.00 0.00 H new ATOM 0 HE3 LYS A 112 -6.389 6.814 16.994 1.00 0.00 H new ATOM 0 HZ1 LYS A 112 -7.640 6.711 19.049 1.00 0.00 H new ATOM 0 HZ2 LYS A 112 -7.472 5.153 18.395 1.00 0.00 H new ATOM 0 HZ3 LYS A 112 -6.522 5.624 19.721 1.00 0.00 H new ATOM 1764 N SER A 113 -0.437 5.514 14.579 1.00 0.00 N ATOM 1765 CA SER A 113 0.616 6.490 14.323 1.00 0.00 C ATOM 1766 C SER A 113 0.735 6.782 12.830 1.00 0.00 C ATOM 1767 O SER A 113 1.054 7.901 12.427 1.00 0.00 O ATOM 1768 CB SER A 113 1.954 5.983 14.863 1.00 0.00 C ATOM 1769 OG SER A 113 3.020 6.825 14.458 1.00 0.00 O ATOM 0 H SER A 113 -0.127 4.681 15.079 1.00 0.00 H new ATOM 0 HA SER A 113 0.352 7.414 14.837 1.00 0.00 H new ATOM 0 HB2 SER A 113 1.916 5.937 15.951 1.00 0.00 H new ATOM 0 HB3 SER A 113 2.132 4.968 14.507 1.00 0.00 H new ATOM 0 HG SER A 113 3.864 6.480 14.817 1.00 0.00 H new ATOM 1775 N LEU A 114 0.475 5.767 12.013 1.00 0.00 N ATOM 1776 CA LEU A 114 0.552 5.912 10.564 1.00 0.00 C ATOM 1777 C LEU A 114 -0.840 6.039 9.954 1.00 0.00 C ATOM 1778 O LEU A 114 -1.483 5.039 9.636 1.00 0.00 O ATOM 1779 CB LEU A 114 1.283 4.716 9.950 1.00 0.00 C ATOM 1780 CG LEU A 114 1.587 4.811 8.454 1.00 0.00 C ATOM 1781 CD1 LEU A 114 2.061 6.211 8.094 1.00 0.00 C ATOM 1782 CD2 LEU A 114 2.628 3.775 8.055 1.00 0.00 C ATOM 0 H LEU A 114 0.209 4.835 12.330 1.00 0.00 H new ATOM 0 HA LEU A 114 1.109 6.823 10.344 1.00 0.00 H new ATOM 0 HB2 LEU A 114 2.223 4.578 10.483 1.00 0.00 H new ATOM 0 HB3 LEU A 114 0.684 3.822 10.123 1.00 0.00 H new ATOM 0 HG LEU A 114 0.669 4.607 7.902 1.00 0.00 H new ATOM 0 HD11 LEU A 114 2.273 6.260 7.026 1.00 0.00 H new ATOM 0 HD12 LEU A 114 1.284 6.934 8.344 1.00 0.00 H new ATOM 0 HD13 LEU A 114 2.966 6.444 8.654 1.00 0.00 H new ATOM 0 HD21 LEU A 114 2.832 3.857 6.987 1.00 0.00 H new ATOM 0 HD22 LEU A 114 3.547 3.949 8.615 1.00 0.00 H new ATOM 0 HD23 LEU A 114 2.251 2.777 8.277 1.00 0.00 H new ATOM 1794 N ASP A 115 -1.298 7.275 9.792 1.00 0.00 N ATOM 1795 CA ASP A 115 -2.614 7.534 9.217 1.00 0.00 C ATOM 1796 C ASP A 115 -2.493 7.976 7.762 1.00 0.00 C ATOM 1797 O ASP A 115 -2.676 9.150 7.441 1.00 0.00 O ATOM 1798 CB ASP A 115 -3.347 8.603 10.029 1.00 0.00 C ATOM 1799 CG ASP A 115 -4.767 8.824 9.546 1.00 0.00 C ATOM 1800 OD1 ASP A 115 -4.946 9.111 8.344 1.00 0.00 O ATOM 1801 OD2 ASP A 115 -5.699 8.710 10.370 1.00 0.00 O ATOM 0 H ASP A 115 -0.778 8.114 10.050 1.00 0.00 H new ATOM 0 HA ASP A 115 -3.187 6.607 9.250 1.00 0.00 H new ATOM 0 HB2 ASP A 115 -3.365 8.309 11.079 1.00 0.00 H new ATOM 0 HB3 ASP A 115 -2.796 9.542 9.970 1.00 0.00 H new ATOM 1806 N THR A 116 -2.183 7.026 6.885 1.00 0.00 N ATOM 1807 CA THR A 116 -2.036 7.317 5.464 1.00 0.00 C ATOM 1808 C THR A 116 -2.670 6.224 4.611 1.00 0.00 C ATOM 1809 O THR A 116 -3.213 5.250 5.133 1.00 0.00 O ATOM 1810 CB THR A 116 -0.554 7.465 5.072 1.00 0.00 C ATOM 1811 OG1 THR A 116 -0.448 8.029 3.760 1.00 0.00 O ATOM 1812 CG2 THR A 116 0.152 6.118 5.108 1.00 0.00 C ATOM 0 H THR A 116 -2.029 6.049 7.134 1.00 0.00 H new ATOM 0 HA THR A 116 -2.549 8.261 5.279 1.00 0.00 H new ATOM 0 HB THR A 116 -0.075 8.128 5.792 1.00 0.00 H new ATOM 0 HG1 THR A 116 -0.342 9.001 3.829 1.00 0.00 H new ATOM 0 HG21 THR A 116 1.197 6.247 4.828 1.00 0.00 H new ATOM 0 HG22 THR A 116 0.095 5.704 6.115 1.00 0.00 H new ATOM 0 HG23 THR A 116 -0.330 5.436 4.407 1.00 0.00 H new ATOM 1820 N THR A 117 -2.596 6.391 3.294 1.00 0.00 N ATOM 1821 CA THR A 117 -3.163 5.419 2.367 1.00 0.00 C ATOM 1822 C THR A 117 -2.276 5.247 1.140 1.00 0.00 C ATOM 1823 O THR A 117 -1.522 6.150 0.774 1.00 0.00 O ATOM 1824 CB THR A 117 -4.575 5.834 1.912 1.00 0.00 C ATOM 1825 OG1 THR A 117 -4.600 7.233 1.608 1.00 0.00 O ATOM 1826 CG2 THR A 117 -5.604 5.526 2.989 1.00 0.00 C ATOM 0 H THR A 117 -2.149 7.190 2.845 1.00 0.00 H new ATOM 0 HA THR A 117 -3.226 4.471 2.902 1.00 0.00 H new ATOM 0 HB THR A 117 -4.827 5.263 1.018 1.00 0.00 H new ATOM 0 HG1 THR A 117 -5.500 7.489 1.318 1.00 0.00 H new ATOM 0 HG21 THR A 117 -6.593 5.828 2.644 1.00 0.00 H new ATOM 0 HG22 THR A 117 -5.603 4.456 3.197 1.00 0.00 H new ATOM 0 HG23 THR A 117 -5.354 6.073 3.898 1.00 0.00 H new ATOM 1834 N LEU A 118 -2.370 4.083 0.507 1.00 0.00 N ATOM 1835 CA LEU A 118 -1.575 3.792 -0.682 1.00 0.00 C ATOM 1836 C LEU A 118 -1.942 4.733 -1.825 1.00 0.00 C ATOM 1837 O LEU A 118 -2.804 4.421 -2.645 1.00 0.00 O ATOM 1838 CB LEU A 118 -1.782 2.340 -1.115 1.00 0.00 C ATOM 1839 CG LEU A 118 -1.324 1.271 -0.121 1.00 0.00 C ATOM 1840 CD1 LEU A 118 0.128 1.497 0.273 1.00 0.00 C ATOM 1841 CD2 LEU A 118 -2.218 1.269 1.110 1.00 0.00 C ATOM 0 H LEU A 118 -2.988 3.325 0.797 1.00 0.00 H new ATOM 0 HA LEU A 118 -0.525 3.944 -0.433 1.00 0.00 H new ATOM 0 HB2 LEU A 118 -2.843 2.190 -1.316 1.00 0.00 H new ATOM 0 HB3 LEU A 118 -1.254 2.183 -2.055 1.00 0.00 H new ATOM 0 HG LEU A 118 -1.402 0.296 -0.603 1.00 0.00 H new ATOM 0 HD11 LEU A 118 0.437 0.728 0.980 1.00 0.00 H new ATOM 0 HD12 LEU A 118 0.758 1.447 -0.615 1.00 0.00 H new ATOM 0 HD13 LEU A 118 0.231 2.478 0.736 1.00 0.00 H new ATOM 0 HD21 LEU A 118 -1.877 0.502 1.806 1.00 0.00 H new ATOM 0 HD22 LEU A 118 -2.173 2.245 1.594 1.00 0.00 H new ATOM 0 HD23 LEU A 118 -3.245 1.059 0.813 1.00 0.00 H new ATOM 1853 N GLN A 119 -1.278 5.884 -1.874 1.00 0.00 N ATOM 1854 CA GLN A 119 -1.534 6.869 -2.918 1.00 0.00 C ATOM 1855 C GLN A 119 -1.131 6.328 -4.286 1.00 0.00 C ATOM 1856 O GLN A 119 -1.985 5.983 -5.104 1.00 0.00 O ATOM 1857 CB GLN A 119 -0.774 8.163 -2.624 1.00 0.00 C ATOM 1858 CG GLN A 119 -0.897 8.627 -1.182 1.00 0.00 C ATOM 1859 CD GLN A 119 -0.876 10.137 -1.051 1.00 0.00 C ATOM 1860 OE1 GLN A 119 -0.432 10.844 -1.956 1.00 0.00 O ATOM 1861 NE2 GLN A 119 -1.358 10.641 0.080 1.00 0.00 N ATOM 0 H GLN A 119 -0.559 6.157 -1.203 1.00 0.00 H new ATOM 0 HA GLN A 119 -2.603 7.079 -2.931 1.00 0.00 H new ATOM 0 HB2 GLN A 119 0.280 8.017 -2.861 1.00 0.00 H new ATOM 0 HB3 GLN A 119 -1.143 8.949 -3.283 1.00 0.00 H new ATOM 0 HG2 GLN A 119 -1.825 8.242 -0.758 1.00 0.00 H new ATOM 0 HG3 GLN A 119 -0.080 8.204 -0.597 1.00 0.00 H new ATOM 0 HE21 GLN A 119 -1.716 10.018 0.804 1.00 0.00 H new ATOM 0 HE22 GLN A 119 -1.370 11.651 0.224 1.00 0.00 H new ATOM 1870 N PHE A 120 0.173 6.258 -4.529 1.00 0.00 N ATOM 1871 CA PHE A 120 0.689 5.760 -5.799 1.00 0.00 C ATOM 1872 C PHE A 120 1.977 4.969 -5.590 1.00 0.00 C ATOM 1873 O PHE A 120 2.707 5.167 -4.619 1.00 0.00 O ATOM 1874 CB PHE A 120 0.941 6.923 -6.761 1.00 0.00 C ATOM 1875 CG PHE A 120 0.058 8.111 -6.511 1.00 0.00 C ATOM 1876 CD1 PHE A 120 -1.281 8.083 -6.868 1.00 0.00 C ATOM 1877 CD2 PHE A 120 0.566 9.256 -5.919 1.00 0.00 C ATOM 1878 CE1 PHE A 120 -2.097 9.175 -6.639 1.00 0.00 C ATOM 1879 CE2 PHE A 120 -0.246 10.351 -5.686 1.00 0.00 C ATOM 1880 CZ PHE A 120 -1.578 10.311 -6.048 1.00 0.00 C ATOM 0 H PHE A 120 0.892 6.540 -3.863 1.00 0.00 H new ATOM 0 HA PHE A 120 -0.058 5.095 -6.231 1.00 0.00 H new ATOM 0 HB2 PHE A 120 1.983 7.232 -6.680 1.00 0.00 H new ATOM 0 HB3 PHE A 120 0.790 6.577 -7.784 1.00 0.00 H new ATOM 0 HD1 PHE A 120 -1.692 7.198 -7.331 1.00 0.00 H new ATOM 0 HD2 PHE A 120 1.608 9.294 -5.636 1.00 0.00 H new ATOM 0 HE1 PHE A 120 -3.139 9.140 -6.922 1.00 0.00 H new ATOM 0 HE2 PHE A 120 0.161 11.237 -5.221 1.00 0.00 H new ATOM 0 HZ PHE A 120 -2.213 11.166 -5.869 1.00 0.00 H new ATOM 1890 N PRO A 121 2.263 4.049 -6.524 1.00 0.00 N ATOM 1891 CA PRO A 121 3.462 3.208 -6.465 1.00 0.00 C ATOM 1892 C PRO A 121 4.739 4.002 -6.717 1.00 0.00 C ATOM 1893 O PRO A 121 4.696 5.122 -7.227 1.00 0.00 O ATOM 1894 CB PRO A 121 3.237 2.190 -7.585 1.00 0.00 C ATOM 1895 CG PRO A 121 2.323 2.875 -8.542 1.00 0.00 C ATOM 1896 CD PRO A 121 1.437 3.758 -7.708 1.00 0.00 C ATOM 0 HA PRO A 121 3.596 2.758 -5.481 1.00 0.00 H new ATOM 0 HB2 PRO A 121 4.177 1.914 -8.064 1.00 0.00 H new ATOM 0 HB3 PRO A 121 2.793 1.271 -7.202 1.00 0.00 H new ATOM 0 HG2 PRO A 121 2.886 3.461 -9.268 1.00 0.00 H new ATOM 0 HG3 PRO A 121 1.734 2.151 -9.105 1.00 0.00 H new ATOM 0 HD2 PRO A 121 1.162 4.669 -8.240 1.00 0.00 H new ATOM 0 HD3 PRO A 121 0.509 3.255 -7.437 1.00 0.00 H new ATOM 1904 N PHE A 122 5.876 3.416 -6.356 1.00 0.00 N ATOM 1905 CA PHE A 122 7.166 4.070 -6.543 1.00 0.00 C ATOM 1906 C PHE A 122 7.616 3.979 -7.998 1.00 0.00 C ATOM 1907 O PHE A 122 8.156 4.936 -8.554 1.00 0.00 O ATOM 1908 CB PHE A 122 8.219 3.436 -5.631 1.00 0.00 C ATOM 1909 CG PHE A 122 8.791 2.157 -6.173 1.00 0.00 C ATOM 1910 CD1 PHE A 122 8.102 0.963 -6.036 1.00 0.00 C ATOM 1911 CD2 PHE A 122 10.015 2.150 -6.821 1.00 0.00 C ATOM 1912 CE1 PHE A 122 8.626 -0.216 -6.533 1.00 0.00 C ATOM 1913 CE2 PHE A 122 10.544 0.975 -7.321 1.00 0.00 C ATOM 1914 CZ PHE A 122 9.848 -0.209 -7.178 1.00 0.00 C ATOM 0 H PHE A 122 5.930 2.490 -5.932 1.00 0.00 H new ATOM 0 HA PHE A 122 7.054 5.122 -6.281 1.00 0.00 H new ATOM 0 HB2 PHE A 122 9.029 4.149 -5.474 1.00 0.00 H new ATOM 0 HB3 PHE A 122 7.773 3.241 -4.656 1.00 0.00 H new ATOM 0 HD1 PHE A 122 7.145 0.953 -5.535 1.00 0.00 H new ATOM 0 HD2 PHE A 122 10.563 3.074 -6.937 1.00 0.00 H new ATOM 0 HE1 PHE A 122 8.081 -1.141 -6.417 1.00 0.00 H new ATOM 0 HE2 PHE A 122 11.500 0.983 -7.823 1.00 0.00 H new ATOM 0 HZ PHE A 122 10.258 -1.128 -7.570 1.00 0.00 H new ATOM 1924 N LYS A 123 7.392 2.821 -8.610 1.00 0.00 N ATOM 1925 CA LYS A 123 7.772 2.603 -10.000 1.00 0.00 C ATOM 1926 C LYS A 123 7.002 3.538 -10.928 1.00 0.00 C ATOM 1927 O LYS A 123 7.465 3.860 -12.022 1.00 0.00 O ATOM 1928 CB LYS A 123 7.517 1.148 -10.398 1.00 0.00 C ATOM 1929 CG LYS A 123 8.629 0.200 -9.982 1.00 0.00 C ATOM 1930 CD LYS A 123 8.782 -0.947 -10.968 1.00 0.00 C ATOM 1931 CE LYS A 123 9.273 -2.211 -10.280 1.00 0.00 C ATOM 1932 NZ LYS A 123 9.506 -3.316 -11.250 1.00 0.00 N ATOM 0 H LYS A 123 6.948 2.018 -8.164 1.00 0.00 H new ATOM 0 HA LYS A 123 8.836 2.818 -10.098 1.00 0.00 H new ATOM 0 HB2 LYS A 123 6.581 0.816 -9.949 1.00 0.00 H new ATOM 0 HB3 LYS A 123 7.389 1.093 -11.479 1.00 0.00 H new ATOM 0 HG2 LYS A 123 9.568 0.748 -9.912 1.00 0.00 H new ATOM 0 HG3 LYS A 123 8.417 -0.198 -8.990 1.00 0.00 H new ATOM 0 HD2 LYS A 123 7.825 -1.143 -11.451 1.00 0.00 H new ATOM 0 HD3 LYS A 123 9.483 -0.663 -11.753 1.00 0.00 H new ATOM 0 HE2 LYS A 123 10.198 -1.997 -9.744 1.00 0.00 H new ATOM 0 HE3 LYS A 123 8.541 -2.528 -9.537 1.00 0.00 H new ATOM 0 HZ1 LYS A 123 9.840 -4.160 -10.742 1.00 0.00 H new ATOM 0 HZ2 LYS A 123 8.618 -3.538 -11.743 1.00 0.00 H new ATOM 0 HZ3 LYS A 123 10.223 -3.023 -11.944 1.00 0.00 H new ATOM 1946 N GLU A 124 5.826 3.969 -10.483 1.00 0.00 N ATOM 1947 CA GLU A 124 4.994 4.867 -11.275 1.00 0.00 C ATOM 1948 C GLU A 124 5.853 5.806 -12.116 1.00 0.00 C ATOM 1949 O GLU A 124 6.814 6.407 -11.635 1.00 0.00 O ATOM 1950 CB GLU A 124 4.073 5.681 -10.363 1.00 0.00 C ATOM 1951 CG GLU A 124 2.697 5.933 -10.957 1.00 0.00 C ATOM 1952 CD GLU A 124 2.636 7.215 -11.765 1.00 0.00 C ATOM 1953 OE1 GLU A 124 3.150 8.246 -11.283 1.00 0.00 O ATOM 1954 OE2 GLU A 124 2.075 7.186 -12.880 1.00 0.00 O ATOM 0 H GLU A 124 5.428 3.711 -9.580 1.00 0.00 H new ATOM 0 HA GLU A 124 4.386 4.260 -11.946 1.00 0.00 H new ATOM 0 HB2 GLU A 124 3.960 5.157 -9.414 1.00 0.00 H new ATOM 0 HB3 GLU A 124 4.546 6.638 -10.144 1.00 0.00 H new ATOM 0 HG2 GLU A 124 2.421 5.093 -11.594 1.00 0.00 H new ATOM 0 HG3 GLU A 124 1.962 5.979 -10.154 1.00 0.00 H new ATOM 1961 N PRO A 125 5.501 5.936 -13.404 1.00 0.00 N ATOM 1962 CA PRO A 125 6.226 6.799 -14.340 1.00 0.00 C ATOM 1963 C PRO A 125 6.028 8.280 -14.035 1.00 0.00 C ATOM 1964 O PRO A 125 5.001 8.678 -13.486 1.00 0.00 O ATOM 1965 CB PRO A 125 5.612 6.446 -15.697 1.00 0.00 C ATOM 1966 CG PRO A 125 4.249 5.939 -15.376 1.00 0.00 C ATOM 1967 CD PRO A 125 4.366 5.249 -14.045 1.00 0.00 C ATOM 0 HA PRO A 125 7.303 6.640 -14.290 1.00 0.00 H new ATOM 0 HB2 PRO A 125 5.566 7.318 -16.350 1.00 0.00 H new ATOM 0 HB3 PRO A 125 6.203 5.691 -16.215 1.00 0.00 H new ATOM 0 HG2 PRO A 125 3.530 6.757 -15.330 1.00 0.00 H new ATOM 0 HG3 PRO A 125 3.899 5.249 -16.144 1.00 0.00 H new ATOM 0 HD2 PRO A 125 3.453 5.349 -13.459 1.00 0.00 H new ATOM 0 HD3 PRO A 125 4.555 4.182 -14.161 1.00 0.00 H new