USER MOD reduce.3.24.130724 H: found=0, std=0, add=781, rem=0, adj=24 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 65 SER OG : rot 90:sc= 1.02 USER MOD Set 1.2: A 74 HIS : no HE2:sc= -2.42! C(o=-1.4!,f=-11!) USER MOD Set 2.1: A 26 HIS : no HD1:sc= -9.66! C(o=-8.6!,f=-12!) USER MOD Set 2.2: A 96 THR OG1 : rot -49:sc= 1.03 USER MOD Single : A 24 SER OG : rot 180:sc= 0 USER MOD Single : A 29 TYR OH : rot 180:sc= 0 USER MOD Single : A 33 MET CE :methyl -162:sc= -1.52 (180deg=-2.98) 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) USER MOD Single : A 46 SER OG : rot 180:sc= 0 USER MOD Single : A 49 THR OG1 : rot 84:sc= 1.12 USER MOD Single : A 67 LYS NZ :NH3+ -179:sc= -0.0752 (180deg=-0.0785) USER MOD Single : A 68 TYR OH : rot 85:sc= 1.16 USER MOD Single : A 69 ASN : amide:sc= 0 K(o=0,f=-0.7) USER MOD Single : A 73 LYS NZ :NH3+ -179:sc= 0.447 (180deg=0.429) USER MOD Single : A 76 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 78 MET CE :methyl 157:sc= 0 (180deg=-0.787) USER MOD Single : A 79 THR OG1 : rot 180:sc= 0.00568 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+ -162:sc= 1.13 (180deg=0.349) USER MOD Single : A 90 LYS NZ :NH3+ -153:sc= 0.155 (180deg=-0.00131) USER MOD Single : A 102 TYR OH : rot 70:sc= -1.52 USER MOD Single : A 103 GLN : amide:sc= -4.19! K(o=-4.2!,f=-1.7) USER MOD Single : A 104 GLN : amide:sc= 0.0769 X(o=0.077,f=-0.098) USER MOD Single : A 105 ASN : amide:sc= -9.19! C(o=-9.2!,f=-8!) USER MOD Single : A 106 SER OG : rot 170:sc= 0.0258 USER MOD Single : A 108 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 110 CYS SG : rot 97:sc= -7.48! 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 89:sc= 1.26 USER MOD Single : A 117 THR OG1 : rot 180:sc= 0 USER MOD Single : A 119 GLN : amide:sc= -2.92! C(o=-2.9!,f=-4.1!) USER MOD Single : A 123 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD ----------------------------------------------------------------- ATOM 296 N LEU A 23 3.186 -10.519 -9.317 1.00 0.00 N ATOM 297 CA LEU A 23 3.153 -9.251 -8.597 1.00 0.00 C ATOM 298 C LEU A 23 4.131 -8.252 -9.209 1.00 0.00 C ATOM 299 O LEU A 23 3.964 -7.041 -9.071 1.00 0.00 O ATOM 300 CB LEU A 23 3.489 -9.470 -7.121 1.00 0.00 C ATOM 301 CG LEU A 23 2.690 -10.561 -6.406 1.00 0.00 C ATOM 302 CD1 LEU A 23 3.191 -10.743 -4.982 1.00 0.00 C ATOM 303 CD2 LEU A 23 1.206 -10.226 -6.413 1.00 0.00 C ATOM 0 HA LEU A 23 2.146 -8.843 -8.677 1.00 0.00 H new ATOM 0 HB2 LEU A 23 4.549 -9.713 -7.042 1.00 0.00 H new ATOM 0 HB3 LEU A 23 3.337 -8.530 -6.591 1.00 0.00 H new ATOM 0 HG LEU A 23 2.833 -11.499 -6.942 1.00 0.00 H new ATOM 0 HD11 LEU A 23 2.611 -11.523 -4.489 1.00 0.00 H new ATOM 0 HD12 LEU A 23 4.243 -11.029 -5.000 1.00 0.00 H new ATOM 0 HD13 LEU A 23 3.079 -9.807 -4.435 1.00 0.00 H new ATOM 0 HD21 LEU A 23 0.653 -11.013 -5.900 1.00 0.00 H new ATOM 0 HD22 LEU A 23 1.045 -9.277 -5.902 1.00 0.00 H new ATOM 0 HD23 LEU A 23 0.855 -10.148 -7.442 1.00 0.00 H new ATOM 315 N SER A 24 5.150 -8.770 -9.888 1.00 0.00 N ATOM 316 CA SER A 24 6.155 -7.924 -10.520 1.00 0.00 C ATOM 317 C SER A 24 5.506 -6.938 -11.486 1.00 0.00 C ATOM 318 O SER A 24 5.934 -5.789 -11.601 1.00 0.00 O ATOM 319 CB SER A 24 7.181 -8.783 -11.263 1.00 0.00 C ATOM 320 OG SER A 24 8.158 -7.976 -11.896 1.00 0.00 O ATOM 0 H SER A 24 5.301 -9.771 -10.014 1.00 0.00 H new ATOM 0 HA SER A 24 6.662 -7.359 -9.738 1.00 0.00 H new ATOM 0 HB2 SER A 24 7.665 -9.464 -10.563 1.00 0.00 H new ATOM 0 HB3 SER A 24 6.675 -9.398 -12.007 1.00 0.00 H new ATOM 0 HG SER A 24 8.803 -8.548 -12.362 1.00 0.00 H new ATOM 326 N VAL A 25 4.469 -7.395 -12.180 1.00 0.00 N ATOM 327 CA VAL A 25 3.758 -6.555 -13.136 1.00 0.00 C ATOM 328 C VAL A 25 3.297 -5.254 -12.488 1.00 0.00 C ATOM 329 O VAL A 25 3.161 -4.229 -13.156 1.00 0.00 O ATOM 330 CB VAL A 25 2.536 -7.284 -13.725 1.00 0.00 C ATOM 331 CG1 VAL A 25 2.949 -8.617 -14.329 1.00 0.00 C ATOM 332 CG2 VAL A 25 1.468 -7.479 -12.659 1.00 0.00 C ATOM 0 H VAL A 25 4.102 -8.343 -12.098 1.00 0.00 H new ATOM 0 HA VAL A 25 4.458 -6.329 -13.940 1.00 0.00 H new ATOM 0 HB VAL A 25 2.115 -6.668 -14.520 1.00 0.00 H new ATOM 0 HG11 VAL A 25 2.072 -9.117 -14.740 1.00 0.00 H new ATOM 0 HG12 VAL A 25 3.676 -8.447 -15.124 1.00 0.00 H new ATOM 0 HG13 VAL A 25 3.396 -9.244 -13.557 1.00 0.00 H new ATOM 0 HG21 VAL A 25 0.612 -7.996 -13.092 1.00 0.00 H new ATOM 0 HG22 VAL A 25 1.875 -8.074 -11.841 1.00 0.00 H new ATOM 0 HG23 VAL A 25 1.152 -6.508 -12.279 1.00 0.00 H new ATOM 342 N HIS A 26 3.057 -5.303 -11.181 1.00 0.00 N ATOM 343 CA HIS A 26 2.612 -4.128 -10.441 1.00 0.00 C ATOM 344 C HIS A 26 3.720 -3.082 -10.365 1.00 0.00 C ATOM 345 O HIS A 26 4.894 -3.389 -10.576 1.00 0.00 O ATOM 346 CB HIS A 26 2.170 -4.524 -9.032 1.00 0.00 C ATOM 347 CG HIS A 26 1.170 -5.638 -9.009 1.00 0.00 C ATOM 348 ND1 HIS A 26 0.090 -5.698 -9.863 1.00 0.00 N ATOM 349 CD2 HIS A 26 1.092 -6.742 -8.228 1.00 0.00 C ATOM 350 CE1 HIS A 26 -0.611 -6.789 -9.608 1.00 0.00 C ATOM 351 NE2 HIS A 26 -0.023 -7.440 -8.620 1.00 0.00 N ATOM 0 H HIS A 26 3.163 -6.144 -10.613 1.00 0.00 H new ATOM 0 HA HIS A 26 1.764 -3.695 -10.971 1.00 0.00 H new ATOM 0 HB2 HIS A 26 3.046 -4.821 -8.455 1.00 0.00 H new ATOM 0 HB3 HIS A 26 1.742 -3.653 -8.536 1.00 0.00 H new ATOM 0 HD2 HIS A 26 1.779 -7.021 -7.443 1.00 0.00 H new ATOM 0 HE1 HIS A 26 -1.511 -7.096 -10.120 1.00 0.00 H new ATOM 0 HE2 HIS A 26 -0.345 -8.319 -8.214 1.00 0.00 H new ATOM 359 N LEU A 27 3.339 -1.845 -10.063 1.00 0.00 N ATOM 360 CA LEU A 27 4.300 -0.753 -9.960 1.00 0.00 C ATOM 361 C LEU A 27 4.847 -0.641 -8.540 1.00 0.00 C ATOM 362 O LEU A 27 6.006 -0.280 -8.338 1.00 0.00 O ATOM 363 CB LEU A 27 3.648 0.568 -10.372 1.00 0.00 C ATOM 364 CG LEU A 27 3.382 0.747 -11.867 1.00 0.00 C ATOM 365 CD1 LEU A 27 2.645 2.052 -12.126 1.00 0.00 C ATOM 366 CD2 LEU A 27 4.686 0.705 -12.650 1.00 0.00 C ATOM 0 H LEU A 27 2.372 -1.574 -9.885 1.00 0.00 H new ATOM 0 HA LEU A 27 5.129 -0.968 -10.634 1.00 0.00 H new ATOM 0 HB2 LEU A 27 2.701 0.664 -9.841 1.00 0.00 H new ATOM 0 HB3 LEU A 27 4.286 1.385 -10.036 1.00 0.00 H new ATOM 0 HG LEU A 27 2.752 -0.076 -12.205 1.00 0.00 H new ATOM 0 HD11 LEU A 27 2.465 2.162 -13.195 1.00 0.00 H new ATOM 0 HD12 LEU A 27 1.692 2.043 -11.596 1.00 0.00 H new ATOM 0 HD13 LEU A 27 3.249 2.887 -11.772 1.00 0.00 H new ATOM 0 HD21 LEU A 27 4.477 0.834 -13.712 1.00 0.00 H new ATOM 0 HD22 LEU A 27 5.341 1.507 -12.309 1.00 0.00 H new ATOM 0 HD23 LEU A 27 5.175 -0.256 -12.491 1.00 0.00 H new ATOM 378 N TRP A 28 4.006 -0.955 -7.562 1.00 0.00 N ATOM 379 CA TRP A 28 4.406 -0.892 -6.160 1.00 0.00 C ATOM 380 C TRP A 28 5.169 -2.149 -5.755 1.00 0.00 C ATOM 381 O TRP A 28 5.289 -2.458 -4.569 1.00 0.00 O ATOM 382 CB TRP A 28 3.178 -0.715 -5.266 1.00 0.00 C ATOM 383 CG TRP A 28 1.979 -1.474 -5.746 1.00 0.00 C ATOM 384 CD1 TRP A 28 0.859 -0.954 -6.330 1.00 0.00 C ATOM 385 CD2 TRP A 28 1.778 -2.891 -5.680 1.00 0.00 C ATOM 386 NE1 TRP A 28 -0.025 -1.962 -6.632 1.00 0.00 N ATOM 387 CE2 TRP A 28 0.516 -3.159 -6.244 1.00 0.00 C ATOM 388 CE3 TRP A 28 2.543 -3.958 -5.202 1.00 0.00 C ATOM 389 CZ2 TRP A 28 0.004 -4.450 -6.341 1.00 0.00 C ATOM 390 CZ3 TRP A 28 2.033 -5.239 -5.298 1.00 0.00 C ATOM 391 CH2 TRP A 28 0.774 -5.476 -5.864 1.00 0.00 C ATOM 0 H TRP A 28 3.043 -1.256 -7.713 1.00 0.00 H new ATOM 0 HA TRP A 28 5.065 -0.033 -6.034 1.00 0.00 H new ATOM 0 HB2 TRP A 28 3.424 -1.040 -4.255 1.00 0.00 H new ATOM 0 HB3 TRP A 28 2.929 0.345 -5.209 1.00 0.00 H new ATOM 0 HD1 TRP A 28 0.693 0.095 -6.526 1.00 0.00 H new ATOM 0 HE1 TRP A 28 -0.936 -1.839 -7.073 1.00 0.00 H new ATOM 0 HE3 TRP A 28 3.515 -3.785 -4.765 1.00 0.00 H new ATOM 0 HZ2 TRP A 28 -0.966 -4.635 -6.777 1.00 0.00 H new ATOM 0 HZ3 TRP A 28 2.615 -6.071 -4.930 1.00 0.00 H new ATOM 0 HH2 TRP A 28 0.403 -6.489 -5.925 1.00 0.00 H new ATOM 402 N TYR A 29 5.682 -2.869 -6.746 1.00 0.00 N ATOM 403 CA TYR A 29 6.432 -4.094 -6.491 1.00 0.00 C ATOM 404 C TYR A 29 7.889 -3.939 -6.917 1.00 0.00 C ATOM 405 O TYR A 29 8.230 -4.129 -8.084 1.00 0.00 O ATOM 406 CB TYR A 29 5.794 -5.270 -7.233 1.00 0.00 C ATOM 407 CG TYR A 29 6.060 -6.610 -6.585 1.00 0.00 C ATOM 408 CD1 TYR A 29 5.353 -7.012 -5.458 1.00 0.00 C ATOM 409 CD2 TYR A 29 7.019 -7.475 -7.099 1.00 0.00 C ATOM 410 CE1 TYR A 29 5.594 -8.235 -4.863 1.00 0.00 C ATOM 411 CE2 TYR A 29 7.265 -8.700 -6.511 1.00 0.00 C ATOM 412 CZ TYR A 29 6.550 -9.076 -5.393 1.00 0.00 C ATOM 413 OH TYR A 29 6.792 -10.295 -4.803 1.00 0.00 O ATOM 0 H TYR A 29 5.593 -2.626 -7.733 1.00 0.00 H new ATOM 0 HA TYR A 29 6.405 -4.291 -5.419 1.00 0.00 H new ATOM 0 HB2 TYR A 29 4.717 -5.111 -7.291 1.00 0.00 H new ATOM 0 HB3 TYR A 29 6.169 -5.290 -8.256 1.00 0.00 H new ATOM 0 HD1 TYR A 29 4.603 -6.357 -5.040 1.00 0.00 H new ATOM 0 HD2 TYR A 29 7.582 -7.184 -7.974 1.00 0.00 H new ATOM 0 HE1 TYR A 29 5.036 -8.531 -3.987 1.00 0.00 H new ATOM 0 HE2 TYR A 29 8.013 -9.360 -6.924 1.00 0.00 H new ATOM 0 HH TYR A 29 7.494 -10.765 -5.300 1.00 0.00 H new ATOM 423 N ALA A 30 8.744 -3.594 -5.960 1.00 0.00 N ATOM 424 CA ALA A 30 10.165 -3.417 -6.233 1.00 0.00 C ATOM 425 C ALA A 30 10.945 -4.692 -5.932 1.00 0.00 C ATOM 426 O ALA A 30 12.051 -4.642 -5.394 1.00 0.00 O ATOM 427 CB ALA A 30 10.717 -2.254 -5.422 1.00 0.00 C ATOM 0 H ALA A 30 8.477 -3.432 -4.989 1.00 0.00 H new ATOM 0 HA ALA A 30 10.281 -3.194 -7.294 1.00 0.00 H new ATOM 0 HB1 ALA A 30 11.779 -2.133 -5.636 1.00 0.00 H new ATOM 0 HB2 ALA A 30 10.187 -1.340 -5.689 1.00 0.00 H new ATOM 0 HB3 ALA A 30 10.581 -2.455 -4.359 1.00 0.00 H new ATOM 433 N GLY A 31 10.362 -5.834 -6.282 1.00 0.00 N ATOM 434 CA GLY A 31 11.017 -7.106 -6.040 1.00 0.00 C ATOM 435 C GLY A 31 11.821 -7.109 -4.755 1.00 0.00 C ATOM 436 O GLY A 31 11.496 -6.415 -3.792 1.00 0.00 O ATOM 0 H GLY A 31 9.448 -5.901 -6.729 1.00 0.00 H new ATOM 0 HA2 GLY A 31 10.266 -7.895 -5.997 1.00 0.00 H new ATOM 0 HA3 GLY A 31 11.675 -7.337 -6.877 1.00 0.00 H new ATOM 440 N PRO A 32 12.898 -7.908 -4.729 1.00 0.00 N ATOM 441 CA PRO A 32 13.773 -8.019 -3.558 1.00 0.00 C ATOM 442 C PRO A 32 14.586 -6.751 -3.319 1.00 0.00 C ATOM 443 O PRO A 32 15.655 -6.570 -3.901 1.00 0.00 O ATOM 444 CB PRO A 32 14.696 -9.187 -3.914 1.00 0.00 C ATOM 445 CG PRO A 32 14.711 -9.218 -5.403 1.00 0.00 C ATOM 446 CD PRO A 32 13.346 -8.764 -5.840 1.00 0.00 C ATOM 0 HA PRO A 32 13.207 -8.170 -2.639 1.00 0.00 H new ATOM 0 HB2 PRO A 32 15.698 -9.037 -3.511 1.00 0.00 H new ATOM 0 HB3 PRO A 32 14.324 -10.125 -3.502 1.00 0.00 H new ATOM 0 HG2 PRO A 32 15.486 -8.562 -5.799 1.00 0.00 H new ATOM 0 HG3 PRO A 32 14.925 -10.222 -5.770 1.00 0.00 H new ATOM 0 HD2 PRO A 32 13.388 -8.213 -6.780 1.00 0.00 H new ATOM 0 HD3 PRO A 32 12.673 -9.607 -5.994 1.00 0.00 H new ATOM 454 N MET A 33 14.072 -5.878 -2.459 1.00 0.00 N ATOM 455 CA MET A 33 14.753 -4.627 -2.143 1.00 0.00 C ATOM 456 C MET A 33 14.918 -4.464 -0.635 1.00 0.00 C ATOM 457 O MET A 33 14.046 -4.859 0.139 1.00 0.00 O ATOM 458 CB MET A 33 13.975 -3.440 -2.714 1.00 0.00 C ATOM 459 CG MET A 33 14.693 -2.110 -2.554 1.00 0.00 C ATOM 460 SD MET A 33 14.151 -0.879 -3.755 1.00 0.00 S ATOM 461 CE MET A 33 12.477 -0.573 -3.195 1.00 0.00 C ATOM 0 H MET A 33 13.188 -6.013 -1.969 1.00 0.00 H new ATOM 0 HA MET A 33 15.743 -4.656 -2.598 1.00 0.00 H new ATOM 0 HB2 MET A 33 13.785 -3.616 -3.773 1.00 0.00 H new ATOM 0 HB3 MET A 33 13.004 -3.381 -2.221 1.00 0.00 H new ATOM 0 HG2 MET A 33 14.523 -1.729 -1.547 1.00 0.00 H new ATOM 0 HG3 MET A 33 15.767 -2.266 -2.659 1.00 0.00 H new ATOM 0 HE1 MET A 33 11.908 -0.095 -3.993 1.00 0.00 H new ATOM 0 HE2 MET A 33 12.004 -1.518 -2.928 1.00 0.00 H new ATOM 0 HE3 MET A 33 12.499 0.081 -2.323 1.00 0.00 H new ATOM 471 N GLU A 34 16.040 -3.881 -0.227 1.00 0.00 N ATOM 472 CA GLU A 34 16.318 -3.668 1.189 1.00 0.00 C ATOM 473 C GLU A 34 15.609 -2.416 1.700 1.00 0.00 C ATOM 474 O GLU A 34 15.029 -1.658 0.923 1.00 0.00 O ATOM 475 CB GLU A 34 17.825 -3.545 1.423 1.00 0.00 C ATOM 476 CG GLU A 34 18.574 -4.857 1.263 1.00 0.00 C ATOM 477 CD GLU A 34 20.044 -4.654 0.947 1.00 0.00 C ATOM 478 OE1 GLU A 34 20.354 -4.219 -0.181 1.00 0.00 O ATOM 479 OE2 GLU A 34 20.883 -4.932 1.829 1.00 0.00 O ATOM 0 H GLU A 34 16.771 -3.548 -0.856 1.00 0.00 H new ATOM 0 HA GLU A 34 15.941 -4.529 1.741 1.00 0.00 H new ATOM 0 HB2 GLU A 34 18.234 -2.815 0.725 1.00 0.00 H new ATOM 0 HB3 GLU A 34 17.998 -3.158 2.427 1.00 0.00 H new ATOM 0 HG2 GLU A 34 18.480 -5.439 2.180 1.00 0.00 H new ATOM 0 HG3 GLU A 34 18.112 -5.440 0.466 1.00 0.00 H new ATOM 486 N ARG A 35 15.661 -2.208 3.012 1.00 0.00 N ATOM 487 CA ARG A 35 15.023 -1.051 3.627 1.00 0.00 C ATOM 488 C ARG A 35 15.639 0.247 3.114 1.00 0.00 C ATOM 489 O ARG A 35 14.945 1.100 2.562 1.00 0.00 O ATOM 490 CB ARG A 35 15.150 -1.122 5.150 1.00 0.00 C ATOM 491 CG ARG A 35 14.260 -0.131 5.882 1.00 0.00 C ATOM 492 CD ARG A 35 14.442 -0.227 7.389 1.00 0.00 C ATOM 493 NE ARG A 35 15.648 0.461 7.840 1.00 0.00 N ATOM 494 CZ ARG A 35 16.338 0.105 8.918 1.00 0.00 C ATOM 495 NH1 ARG A 35 15.943 -0.927 9.651 1.00 0.00 N ATOM 496 NH2 ARG A 35 17.426 0.780 9.264 1.00 0.00 N ATOM 0 H ARG A 35 16.138 -2.826 3.669 1.00 0.00 H new ATOM 0 HA ARG A 35 13.967 -1.063 3.356 1.00 0.00 H new ATOM 0 HB2 ARG A 35 14.904 -2.131 5.480 1.00 0.00 H new ATOM 0 HB3 ARG A 35 16.188 -0.940 5.428 1.00 0.00 H new ATOM 0 HG2 ARG A 35 14.491 0.881 5.550 1.00 0.00 H new ATOM 0 HG3 ARG A 35 13.217 -0.320 5.627 1.00 0.00 H new ATOM 0 HD2 ARG A 35 13.572 0.202 7.887 1.00 0.00 H new ATOM 0 HD3 ARG A 35 14.492 -1.276 7.682 1.00 0.00 H new ATOM 0 HE ARG A 35 15.979 1.259 7.298 1.00 0.00 H new ATOM 0 HH11 ARG A 35 15.108 -1.450 9.388 1.00 0.00 H new ATOM 0 HH12 ARG A 35 16.475 -1.198 10.478 1.00 0.00 H new ATOM 0 HH21 ARG A 35 17.734 1.574 8.702 1.00 0.00 H new ATOM 0 HH22 ARG A 35 17.955 0.505 10.092 1.00 0.00 H new ATOM 510 N ALA A 36 16.948 0.388 3.300 1.00 0.00 N ATOM 511 CA ALA A 36 17.658 1.581 2.855 1.00 0.00 C ATOM 512 C ALA A 36 17.180 2.022 1.476 1.00 0.00 C ATOM 513 O ALA A 36 16.852 3.189 1.266 1.00 0.00 O ATOM 514 CB ALA A 36 19.158 1.326 2.839 1.00 0.00 C ATOM 0 H ALA A 36 17.537 -0.309 3.755 1.00 0.00 H new ATOM 0 HA ALA A 36 17.444 2.385 3.559 1.00 0.00 H new ATOM 0 HB1 ALA A 36 19.676 2.225 2.505 1.00 0.00 H new ATOM 0 HB2 ALA A 36 19.494 1.066 3.843 1.00 0.00 H new ATOM 0 HB3 ALA A 36 19.380 0.505 2.158 1.00 0.00 H new ATOM 520 N GLY A 37 17.142 1.081 0.538 1.00 0.00 N ATOM 521 CA GLY A 37 16.703 1.393 -0.809 1.00 0.00 C ATOM 522 C GLY A 37 15.377 2.126 -0.831 1.00 0.00 C ATOM 523 O GLY A 37 15.276 3.224 -1.379 1.00 0.00 O ATOM 0 H GLY A 37 17.408 0.108 0.687 1.00 0.00 H new ATOM 0 HA2 GLY A 37 17.460 2.003 -1.302 1.00 0.00 H new ATOM 0 HA3 GLY A 37 16.614 0.470 -1.382 1.00 0.00 H new ATOM 527 N ALA A 38 14.356 1.518 -0.236 1.00 0.00 N ATOM 528 CA ALA A 38 13.029 2.121 -0.190 1.00 0.00 C ATOM 529 C ALA A 38 13.073 3.493 0.474 1.00 0.00 C ATOM 530 O ALA A 38 12.403 4.426 0.034 1.00 0.00 O ATOM 531 CB ALA A 38 12.060 1.207 0.546 1.00 0.00 C ATOM 0 H ALA A 38 14.422 0.608 0.221 1.00 0.00 H new ATOM 0 HA ALA A 38 12.680 2.253 -1.214 1.00 0.00 H new ATOM 0 HB1 ALA A 38 11.073 1.669 0.573 1.00 0.00 H new ATOM 0 HB2 ALA A 38 11.998 0.250 0.028 1.00 0.00 H new ATOM 0 HB3 ALA A 38 12.414 1.047 1.565 1.00 0.00 H new ATOM 537 N GLU A 39 13.864 3.607 1.536 1.00 0.00 N ATOM 538 CA GLU A 39 13.993 4.865 2.261 1.00 0.00 C ATOM 539 C GLU A 39 14.674 5.923 1.398 1.00 0.00 C ATOM 540 O GLU A 39 14.498 7.123 1.612 1.00 0.00 O ATOM 541 CB GLU A 39 14.786 4.657 3.553 1.00 0.00 C ATOM 542 CG GLU A 39 14.169 3.629 4.486 1.00 0.00 C ATOM 543 CD GLU A 39 14.613 3.808 5.926 1.00 0.00 C ATOM 544 OE1 GLU A 39 15.750 3.408 6.251 1.00 0.00 O ATOM 545 OE2 GLU A 39 13.821 4.348 6.727 1.00 0.00 O ATOM 0 H GLU A 39 14.425 2.843 1.913 1.00 0.00 H new ATOM 0 HA GLU A 39 12.991 5.214 2.511 1.00 0.00 H new ATOM 0 HB2 GLU A 39 15.800 4.345 3.301 1.00 0.00 H new ATOM 0 HB3 GLU A 39 14.867 5.609 4.077 1.00 0.00 H new ATOM 0 HG2 GLU A 39 13.083 3.701 4.433 1.00 0.00 H new ATOM 0 HG3 GLU A 39 14.439 2.629 4.148 1.00 0.00 H new ATOM 552 N SER A 40 15.454 5.470 0.422 1.00 0.00 N ATOM 553 CA SER A 40 16.166 6.376 -0.472 1.00 0.00 C ATOM 554 C SER A 40 15.362 6.627 -1.744 1.00 0.00 C ATOM 555 O SER A 40 15.535 7.650 -2.408 1.00 0.00 O ATOM 556 CB SER A 40 17.539 5.802 -0.827 1.00 0.00 C ATOM 557 OG SER A 40 18.170 6.575 -1.832 1.00 0.00 O ATOM 0 H SER A 40 15.609 4.480 0.230 1.00 0.00 H new ATOM 0 HA SER A 40 16.300 7.326 0.045 1.00 0.00 H new ATOM 0 HB2 SER A 40 18.167 5.775 0.064 1.00 0.00 H new ATOM 0 HB3 SER A 40 17.429 4.773 -1.170 1.00 0.00 H new ATOM 0 HG SER A 40 19.046 6.189 -2.040 1.00 0.00 H new ATOM 563 N ILE A 41 14.485 5.687 -2.077 1.00 0.00 N ATOM 564 CA ILE A 41 13.654 5.806 -3.269 1.00 0.00 C ATOM 565 C ILE A 41 12.512 6.792 -3.046 1.00 0.00 C ATOM 566 O ILE A 41 12.317 7.721 -3.832 1.00 0.00 O ATOM 567 CB ILE A 41 13.067 4.444 -3.684 1.00 0.00 C ATOM 568 CG1 ILE A 41 14.165 3.542 -4.249 1.00 0.00 C ATOM 569 CG2 ILE A 41 11.954 4.636 -4.704 1.00 0.00 C ATOM 570 CD1 ILE A 41 13.841 2.067 -4.160 1.00 0.00 C ATOM 0 H ILE A 41 14.331 4.834 -1.539 1.00 0.00 H new ATOM 0 HA ILE A 41 14.298 6.174 -4.068 1.00 0.00 H new ATOM 0 HB ILE A 41 12.646 3.962 -2.802 1.00 0.00 H new ATOM 0 HG12 ILE A 41 14.339 3.805 -5.292 1.00 0.00 H new ATOM 0 HG13 ILE A 41 15.094 3.735 -3.712 1.00 0.00 H new ATOM 0 HG21 ILE A 41 11.549 3.665 -4.988 1.00 0.00 H new ATOM 0 HG22 ILE A 41 11.163 5.246 -4.268 1.00 0.00 H new ATOM 0 HG23 ILE A 41 12.352 5.135 -5.587 1.00 0.00 H new ATOM 0 HD11 ILE A 41 14.664 1.488 -4.579 1.00 0.00 H new ATOM 0 HD12 ILE A 41 13.696 1.789 -3.116 1.00 0.00 H new ATOM 0 HD13 ILE A 41 12.929 1.860 -4.721 1.00 0.00 H new ATOM 582 N LEU A 42 11.760 6.586 -1.971 1.00 0.00 N ATOM 583 CA LEU A 42 10.638 7.459 -1.643 1.00 0.00 C ATOM 584 C LEU A 42 11.128 8.781 -1.062 1.00 0.00 C ATOM 585 O LEU A 42 10.357 9.728 -0.910 1.00 0.00 O ATOM 586 CB LEU A 42 9.703 6.768 -0.649 1.00 0.00 C ATOM 587 CG LEU A 42 9.267 5.348 -1.014 1.00 0.00 C ATOM 588 CD1 LEU A 42 8.616 4.666 0.180 1.00 0.00 C ATOM 589 CD2 LEU A 42 8.316 5.371 -2.201 1.00 0.00 C ATOM 0 H LEU A 42 11.907 5.822 -1.311 1.00 0.00 H new ATOM 0 HA LEU A 42 10.091 7.668 -2.563 1.00 0.00 H new ATOM 0 HB2 LEU A 42 10.197 6.737 0.322 1.00 0.00 H new ATOM 0 HB3 LEU A 42 8.810 7.382 -0.533 1.00 0.00 H new ATOM 0 HG LEU A 42 10.152 4.777 -1.294 1.00 0.00 H new ATOM 0 HD11 LEU A 42 8.312 3.657 -0.098 1.00 0.00 H new ATOM 0 HD12 LEU A 42 9.328 4.616 1.004 1.00 0.00 H new ATOM 0 HD13 LEU A 42 7.740 5.236 0.491 1.00 0.00 H new ATOM 0 HD21 LEU A 42 8.016 4.352 -2.447 1.00 0.00 H new ATOM 0 HD22 LEU A 42 7.433 5.958 -1.949 1.00 0.00 H new ATOM 0 HD23 LEU A 42 8.816 5.819 -3.059 1.00 0.00 H new ATOM 601 N ALA A 43 12.416 8.839 -0.740 1.00 0.00 N ATOM 602 CA ALA A 43 13.010 10.047 -0.180 1.00 0.00 C ATOM 603 C ALA A 43 12.650 11.273 -1.012 1.00 0.00 C ATOM 604 O ALA A 43 12.198 12.285 -0.479 1.00 0.00 O ATOM 605 CB ALA A 43 14.522 9.897 -0.086 1.00 0.00 C ATOM 0 H ALA A 43 13.068 8.064 -0.857 1.00 0.00 H new ATOM 0 HA ALA A 43 12.606 10.189 0.822 1.00 0.00 H new ATOM 0 HB1 ALA A 43 14.952 10.806 0.334 1.00 0.00 H new ATOM 0 HB2 ALA A 43 14.764 9.051 0.557 1.00 0.00 H new ATOM 0 HB3 ALA A 43 14.933 9.727 -1.081 1.00 0.00 H new ATOM 611 N ASN A 44 12.853 11.174 -2.322 1.00 0.00 N ATOM 612 CA ASN A 44 12.550 12.276 -3.227 1.00 0.00 C ATOM 613 C ASN A 44 11.081 12.254 -3.638 1.00 0.00 C ATOM 614 O ASN A 44 10.479 13.300 -3.886 1.00 0.00 O ATOM 615 CB ASN A 44 13.440 12.202 -4.470 1.00 0.00 C ATOM 616 CG ASN A 44 14.887 11.906 -4.127 1.00 0.00 C ATOM 617 OD1 ASN A 44 15.581 12.738 -3.542 1.00 0.00 O ATOM 618 ND2 ASN A 44 15.349 10.716 -4.491 1.00 0.00 N ATOM 0 H ASN A 44 13.226 10.342 -2.780 1.00 0.00 H new ATOM 0 HA ASN A 44 12.748 13.210 -2.701 1.00 0.00 H new ATOM 0 HB2 ASN A 44 13.062 11.429 -5.139 1.00 0.00 H new ATOM 0 HB3 ASN A 44 13.383 13.147 -5.011 1.00 0.00 H new ATOM 0 HD21 ASN A 44 16.315 10.460 -4.288 1.00 0.00 H new ATOM 0 HD22 ASN A 44 14.738 10.058 -4.974 1.00 0.00 H new ATOM 625 N ARG A 45 10.509 11.057 -3.708 1.00 0.00 N ATOM 626 CA ARG A 45 9.111 10.898 -4.090 1.00 0.00 C ATOM 627 C ARG A 45 8.226 11.883 -3.331 1.00 0.00 C ATOM 628 O ARG A 45 8.689 12.583 -2.431 1.00 0.00 O ATOM 629 CB ARG A 45 8.646 9.466 -3.820 1.00 0.00 C ATOM 630 CG ARG A 45 9.307 8.432 -4.717 1.00 0.00 C ATOM 631 CD ARG A 45 8.763 8.495 -6.135 1.00 0.00 C ATOM 632 NE ARG A 45 9.324 7.448 -6.984 1.00 0.00 N ATOM 633 CZ ARG A 45 10.340 7.642 -7.817 1.00 0.00 C ATOM 634 NH1 ARG A 45 10.903 8.839 -7.913 1.00 0.00 N ATOM 635 NH2 ARG A 45 10.794 6.639 -8.557 1.00 0.00 N ATOM 0 H ARG A 45 10.992 10.182 -3.505 1.00 0.00 H new ATOM 0 HA ARG A 45 9.025 11.105 -5.157 1.00 0.00 H new ATOM 0 HB2 ARG A 45 8.852 9.216 -2.779 1.00 0.00 H new ATOM 0 HB3 ARG A 45 7.565 9.413 -3.953 1.00 0.00 H new ATOM 0 HG2 ARG A 45 10.384 8.597 -4.732 1.00 0.00 H new ATOM 0 HG3 ARG A 45 9.143 7.435 -4.307 1.00 0.00 H new ATOM 0 HD2 ARG A 45 7.677 8.399 -6.111 1.00 0.00 H new ATOM 0 HD3 ARG A 45 8.988 9.470 -6.566 1.00 0.00 H new ATOM 0 HE ARG A 45 8.913 6.516 -6.935 1.00 0.00 H new ATOM 0 HH11 ARG A 45 10.556 9.613 -7.346 1.00 0.00 H new ATOM 0 HH12 ARG A 45 11.683 8.986 -8.553 1.00 0.00 H new ATOM 0 HH21 ARG A 45 10.363 5.717 -8.487 1.00 0.00 H new ATOM 0 HH22 ARG A 45 11.574 6.789 -9.196 1.00 0.00 H new ATOM 649 N SER A 46 6.951 11.932 -3.703 1.00 0.00 N ATOM 650 CA SER A 46 6.001 12.834 -3.061 1.00 0.00 C ATOM 651 C SER A 46 5.220 12.112 -1.967 1.00 0.00 C ATOM 652 O SER A 46 4.783 10.975 -2.148 1.00 0.00 O ATOM 653 CB SER A 46 5.035 13.412 -4.097 1.00 0.00 C ATOM 654 OG SER A 46 5.500 14.656 -4.590 1.00 0.00 O ATOM 0 H SER A 46 6.552 11.358 -4.446 1.00 0.00 H new ATOM 0 HA SER A 46 6.563 13.649 -2.604 1.00 0.00 H new ATOM 0 HB2 SER A 46 4.920 12.710 -4.923 1.00 0.00 H new ATOM 0 HB3 SER A 46 4.050 13.540 -3.648 1.00 0.00 H new ATOM 0 HG SER A 46 4.866 15.003 -5.252 1.00 0.00 H new ATOM 660 N ASP A 47 5.049 12.781 -0.832 1.00 0.00 N ATOM 661 CA ASP A 47 4.321 12.205 0.292 1.00 0.00 C ATOM 662 C ASP A 47 3.127 11.388 -0.195 1.00 0.00 C ATOM 663 O ASP A 47 2.260 11.899 -0.903 1.00 0.00 O ATOM 664 CB ASP A 47 3.847 13.308 1.239 1.00 0.00 C ATOM 665 CG ASP A 47 4.916 13.716 2.234 1.00 0.00 C ATOM 666 OD1 ASP A 47 6.071 13.933 1.808 1.00 0.00 O ATOM 667 OD2 ASP A 47 4.599 13.820 3.437 1.00 0.00 O ATOM 0 H ASP A 47 5.405 13.723 -0.666 1.00 0.00 H new ATOM 0 HA ASP A 47 4.998 11.541 0.830 1.00 0.00 H new ATOM 0 HB2 ASP A 47 3.546 14.179 0.656 1.00 0.00 H new ATOM 0 HB3 ASP A 47 2.964 12.965 1.779 1.00 0.00 H new ATOM 672 N GLY A 48 3.091 10.116 0.190 1.00 0.00 N ATOM 673 CA GLY A 48 2.001 9.249 -0.218 1.00 0.00 C ATOM 674 C GLY A 48 2.458 8.137 -1.142 1.00 0.00 C ATOM 675 O GLY A 48 1.779 7.121 -1.288 1.00 0.00 O ATOM 0 H GLY A 48 3.797 9.671 0.777 1.00 0.00 H new ATOM 0 HA2 GLY A 48 1.537 8.814 0.667 1.00 0.00 H new ATOM 0 HA3 GLY A 48 1.237 9.843 -0.720 1.00 0.00 H new ATOM 679 N THR A 49 3.614 8.330 -1.770 1.00 0.00 N ATOM 680 CA THR A 49 4.161 7.337 -2.687 1.00 0.00 C ATOM 681 C THR A 49 4.523 6.052 -1.953 1.00 0.00 C ATOM 682 O THR A 49 5.576 5.961 -1.321 1.00 0.00 O ATOM 683 CB THR A 49 5.411 7.871 -3.412 1.00 0.00 C ATOM 684 OG1 THR A 49 5.141 9.163 -3.967 1.00 0.00 O ATOM 685 CG2 THR A 49 5.842 6.919 -4.517 1.00 0.00 C ATOM 0 H THR A 49 4.190 9.165 -1.660 1.00 0.00 H new ATOM 0 HA THR A 49 3.386 7.125 -3.423 1.00 0.00 H new ATOM 0 HB THR A 49 6.220 7.950 -2.686 1.00 0.00 H new ATOM 0 HG1 THR A 49 5.264 9.848 -3.277 1.00 0.00 H new ATOM 0 HG21 THR A 49 6.726 7.316 -5.015 1.00 0.00 H new ATOM 0 HG22 THR A 49 6.075 5.945 -4.088 1.00 0.00 H new ATOM 0 HG23 THR A 49 5.034 6.813 -5.241 1.00 0.00 H new ATOM 693 N PHE A 50 3.645 5.058 -2.040 1.00 0.00 N ATOM 694 CA PHE A 50 3.873 3.776 -1.384 1.00 0.00 C ATOM 695 C PHE A 50 4.654 2.831 -2.292 1.00 0.00 C ATOM 696 O PHE A 50 4.599 2.943 -3.518 1.00 0.00 O ATOM 697 CB PHE A 50 2.539 3.137 -0.989 1.00 0.00 C ATOM 698 CG PHE A 50 1.764 2.598 -2.157 1.00 0.00 C ATOM 699 CD1 PHE A 50 1.034 3.448 -2.973 1.00 0.00 C ATOM 700 CD2 PHE A 50 1.767 1.242 -2.441 1.00 0.00 C ATOM 701 CE1 PHE A 50 0.319 2.954 -4.048 1.00 0.00 C ATOM 702 CE2 PHE A 50 1.054 0.742 -3.515 1.00 0.00 C ATOM 703 CZ PHE A 50 0.330 1.600 -4.320 1.00 0.00 C ATOM 0 H PHE A 50 2.769 5.116 -2.559 1.00 0.00 H new ATOM 0 HA PHE A 50 4.462 3.956 -0.485 1.00 0.00 H new ATOM 0 HB2 PHE A 50 2.728 2.328 -0.284 1.00 0.00 H new ATOM 0 HB3 PHE A 50 1.930 3.877 -0.470 1.00 0.00 H new ATOM 0 HD1 PHE A 50 1.024 4.508 -2.767 1.00 0.00 H new ATOM 0 HD2 PHE A 50 2.333 0.567 -1.816 1.00 0.00 H new ATOM 0 HE1 PHE A 50 -0.248 3.626 -4.675 1.00 0.00 H new ATOM 0 HE2 PHE A 50 1.063 -0.318 -3.724 1.00 0.00 H new ATOM 0 HZ PHE A 50 -0.226 1.213 -5.161 1.00 0.00 H new ATOM 713 N LEU A 51 5.380 1.901 -1.683 1.00 0.00 N ATOM 714 CA LEU A 51 6.174 0.935 -2.435 1.00 0.00 C ATOM 715 C LEU A 51 6.363 -0.352 -1.640 1.00 0.00 C ATOM 716 O LEU A 51 6.780 -0.324 -0.482 1.00 0.00 O ATOM 717 CB LEU A 51 7.536 1.533 -2.792 1.00 0.00 C ATOM 718 CG LEU A 51 8.660 1.290 -1.783 1.00 0.00 C ATOM 719 CD1 LEU A 51 9.101 -0.165 -1.816 1.00 0.00 C ATOM 720 CD2 LEU A 51 9.837 2.212 -2.064 1.00 0.00 C ATOM 0 H LEU A 51 5.436 1.795 -0.670 1.00 0.00 H new ATOM 0 HA LEU A 51 5.637 0.697 -3.353 1.00 0.00 H new ATOM 0 HB2 LEU A 51 7.846 1.130 -3.756 1.00 0.00 H new ATOM 0 HB3 LEU A 51 7.416 2.609 -2.920 1.00 0.00 H new ATOM 0 HG LEU A 51 8.281 1.511 -0.785 1.00 0.00 H new ATOM 0 HD11 LEU A 51 9.901 -0.319 -1.092 1.00 0.00 H new ATOM 0 HD12 LEU A 51 8.256 -0.807 -1.566 1.00 0.00 H new ATOM 0 HD13 LEU A 51 9.462 -0.413 -2.814 1.00 0.00 H new ATOM 0 HD21 LEU A 51 10.627 2.025 -1.337 1.00 0.00 H new ATOM 0 HD22 LEU A 51 10.216 2.022 -3.068 1.00 0.00 H new ATOM 0 HD23 LEU A 51 9.512 3.250 -1.989 1.00 0.00 H new ATOM 732 N VAL A 52 6.055 -1.482 -2.270 1.00 0.00 N ATOM 733 CA VAL A 52 6.194 -2.781 -1.622 1.00 0.00 C ATOM 734 C VAL A 52 7.541 -3.415 -1.947 1.00 0.00 C ATOM 735 O VAL A 52 7.942 -3.485 -3.109 1.00 0.00 O ATOM 736 CB VAL A 52 5.069 -3.743 -2.048 1.00 0.00 C ATOM 737 CG1 VAL A 52 5.058 -4.978 -1.160 1.00 0.00 C ATOM 738 CG2 VAL A 52 3.722 -3.038 -2.012 1.00 0.00 C ATOM 0 H VAL A 52 5.708 -1.524 -3.228 1.00 0.00 H new ATOM 0 HA VAL A 52 6.127 -2.609 -0.548 1.00 0.00 H new ATOM 0 HB VAL A 52 5.257 -4.063 -3.073 1.00 0.00 H new ATOM 0 HG11 VAL A 52 4.257 -5.646 -1.476 1.00 0.00 H new ATOM 0 HG12 VAL A 52 6.015 -5.494 -1.243 1.00 0.00 H new ATOM 0 HG13 VAL A 52 4.895 -4.680 -0.124 1.00 0.00 H new ATOM 0 HG21 VAL A 52 2.939 -3.733 -2.316 1.00 0.00 H new ATOM 0 HG22 VAL A 52 3.522 -2.687 -1.000 1.00 0.00 H new ATOM 0 HG23 VAL A 52 3.738 -2.188 -2.694 1.00 0.00 H new ATOM 748 N ARG A 53 8.236 -3.877 -0.912 1.00 0.00 N ATOM 749 CA ARG A 53 9.540 -4.505 -1.087 1.00 0.00 C ATOM 750 C ARG A 53 9.584 -5.867 -0.400 1.00 0.00 C ATOM 751 O ARG A 53 9.538 -5.955 0.827 1.00 0.00 O ATOM 752 CB ARG A 53 10.643 -3.605 -0.529 1.00 0.00 C ATOM 753 CG ARG A 53 10.452 -3.243 0.935 1.00 0.00 C ATOM 754 CD ARG A 53 11.338 -2.075 1.341 1.00 0.00 C ATOM 755 NE ARG A 53 11.378 -1.897 2.790 1.00 0.00 N ATOM 756 CZ ARG A 53 11.938 -2.767 3.622 1.00 0.00 C ATOM 757 NH1 ARG A 53 12.502 -3.871 3.152 1.00 0.00 N ATOM 758 NH2 ARG A 53 11.935 -2.535 4.929 1.00 0.00 N ATOM 0 H ARG A 53 7.918 -3.828 0.056 1.00 0.00 H new ATOM 0 HA ARG A 53 9.705 -4.650 -2.155 1.00 0.00 H new ATOM 0 HB2 ARG A 53 11.604 -4.106 -0.648 1.00 0.00 H new ATOM 0 HB3 ARG A 53 10.686 -2.689 -1.118 1.00 0.00 H new ATOM 0 HG2 ARG A 53 9.408 -2.988 1.115 1.00 0.00 H new ATOM 0 HG3 ARG A 53 10.681 -4.108 1.558 1.00 0.00 H new ATOM 0 HD2 ARG A 53 12.349 -2.240 0.968 1.00 0.00 H new ATOM 0 HD3 ARG A 53 10.971 -1.161 0.873 1.00 0.00 H new ATOM 0 HE ARG A 53 10.952 -1.058 3.184 1.00 0.00 H new ATOM 0 HH11 ARG A 53 12.507 -4.054 2.149 1.00 0.00 H new ATOM 0 HH12 ARG A 53 12.931 -4.537 3.794 1.00 0.00 H new ATOM 0 HH21 ARG A 53 11.502 -1.687 5.296 1.00 0.00 H new ATOM 0 HH22 ARG A 53 12.366 -3.204 5.567 1.00 0.00 H new ATOM 898 N PHE A 62 6.902 -9.791 3.232 1.00 0.00 N ATOM 899 CA PHE A 62 6.541 -8.614 2.451 1.00 0.00 C ATOM 900 C PHE A 62 6.386 -7.391 3.350 1.00 0.00 C ATOM 901 O PHE A 62 6.096 -7.514 4.540 1.00 0.00 O ATOM 902 CB PHE A 62 5.241 -8.864 1.684 1.00 0.00 C ATOM 903 CG PHE A 62 5.337 -9.988 0.692 1.00 0.00 C ATOM 904 CD1 PHE A 62 5.304 -11.307 1.115 1.00 0.00 C ATOM 905 CD2 PHE A 62 5.460 -9.726 -0.663 1.00 0.00 C ATOM 906 CE1 PHE A 62 5.393 -12.344 0.205 1.00 0.00 C ATOM 907 CE2 PHE A 62 5.549 -10.758 -1.578 1.00 0.00 C ATOM 908 CZ PHE A 62 5.514 -12.069 -1.143 1.00 0.00 C ATOM 0 HA PHE A 62 7.344 -8.421 1.740 1.00 0.00 H new ATOM 0 HB2 PHE A 62 4.445 -9.085 2.396 1.00 0.00 H new ATOM 0 HB3 PHE A 62 4.956 -7.951 1.161 1.00 0.00 H new ATOM 0 HD1 PHE A 62 5.208 -11.528 2.168 1.00 0.00 H new ATOM 0 HD2 PHE A 62 5.487 -8.703 -1.008 1.00 0.00 H new ATOM 0 HE1 PHE A 62 5.368 -13.368 0.548 1.00 0.00 H new ATOM 0 HE2 PHE A 62 5.646 -10.540 -2.631 1.00 0.00 H new ATOM 0 HZ PHE A 62 5.581 -12.877 -1.856 1.00 0.00 H new ATOM 918 N ALA A 63 6.583 -6.210 2.772 1.00 0.00 N ATOM 919 CA ALA A 63 6.465 -4.965 3.520 1.00 0.00 C ATOM 920 C ALA A 63 6.167 -3.793 2.590 1.00 0.00 C ATOM 921 O ALA A 63 6.787 -3.652 1.536 1.00 0.00 O ATOM 922 CB ALA A 63 7.737 -4.702 4.313 1.00 0.00 C ATOM 0 H ALA A 63 6.825 -6.090 1.788 1.00 0.00 H new ATOM 0 HA ALA A 63 5.632 -5.065 4.215 1.00 0.00 H new ATOM 0 HB1 ALA A 63 7.634 -3.769 4.867 1.00 0.00 H new ATOM 0 HB2 ALA A 63 7.906 -5.522 5.011 1.00 0.00 H new ATOM 0 HB3 ALA A 63 8.583 -4.627 3.630 1.00 0.00 H new ATOM 928 N ILE A 64 5.215 -2.956 2.988 1.00 0.00 N ATOM 929 CA ILE A 64 4.836 -1.796 2.190 1.00 0.00 C ATOM 930 C ILE A 64 5.372 -0.507 2.804 1.00 0.00 C ATOM 931 O ILE A 64 4.931 -0.087 3.874 1.00 0.00 O ATOM 932 CB ILE A 64 3.307 -1.686 2.047 1.00 0.00 C ATOM 933 CG1 ILE A 64 2.771 -2.825 1.177 1.00 0.00 C ATOM 934 CG2 ILE A 64 2.925 -0.337 1.457 1.00 0.00 C ATOM 935 CD1 ILE A 64 1.362 -3.245 1.533 1.00 0.00 C ATOM 0 H ILE A 64 4.692 -3.059 3.858 1.00 0.00 H new ATOM 0 HA ILE A 64 5.276 -1.936 1.202 1.00 0.00 H new ATOM 0 HB ILE A 64 2.858 -1.767 3.037 1.00 0.00 H new ATOM 0 HG12 ILE A 64 2.796 -2.516 0.132 1.00 0.00 H new ATOM 0 HG13 ILE A 64 3.433 -3.686 1.271 1.00 0.00 H new ATOM 0 HG21 ILE A 64 1.841 -0.275 1.362 1.00 0.00 H new ATOM 0 HG22 ILE A 64 3.278 0.460 2.112 1.00 0.00 H new ATOM 0 HG23 ILE A 64 3.382 -0.228 0.473 1.00 0.00 H new ATOM 0 HD11 ILE A 64 1.047 -4.056 0.876 1.00 0.00 H new ATOM 0 HD12 ILE A 64 1.334 -3.585 2.568 1.00 0.00 H new ATOM 0 HD13 ILE A 64 0.688 -2.397 1.411 1.00 0.00 H new ATOM 947 N SER A 65 6.325 0.117 2.119 1.00 0.00 N ATOM 948 CA SER A 65 6.923 1.357 2.598 1.00 0.00 C ATOM 949 C SER A 65 6.478 2.540 1.744 1.00 0.00 C ATOM 950 O SER A 65 6.520 2.483 0.514 1.00 0.00 O ATOM 951 CB SER A 65 8.449 1.251 2.585 1.00 0.00 C ATOM 952 OG SER A 65 8.888 0.130 3.333 1.00 0.00 O ATOM 0 H SER A 65 6.699 -0.216 1.231 1.00 0.00 H new ATOM 0 HA SER A 65 6.586 1.522 3.621 1.00 0.00 H new ATOM 0 HB2 SER A 65 8.802 1.167 1.557 1.00 0.00 H new ATOM 0 HB3 SER A 65 8.884 2.161 2.998 1.00 0.00 H new ATOM 0 HG SER A 65 8.945 -0.653 2.746 1.00 0.00 H new ATOM 958 N ILE A 66 6.051 3.611 2.404 1.00 0.00 N ATOM 959 CA ILE A 66 5.598 4.808 1.706 1.00 0.00 C ATOM 960 C ILE A 66 6.183 6.067 2.338 1.00 0.00 C ATOM 961 O ILE A 66 6.767 6.018 3.421 1.00 0.00 O ATOM 962 CB ILE A 66 4.062 4.914 1.707 1.00 0.00 C ATOM 963 CG1 ILE A 66 3.586 5.740 2.904 1.00 0.00 C ATOM 964 CG2 ILE A 66 3.436 3.527 1.731 1.00 0.00 C ATOM 965 CD1 ILE A 66 4.089 5.222 4.233 1.00 0.00 C ATOM 0 H ILE A 66 6.009 3.675 3.421 1.00 0.00 H new ATOM 0 HA ILE A 66 5.947 4.724 0.677 1.00 0.00 H new ATOM 0 HB ILE A 66 3.747 5.418 0.794 1.00 0.00 H new ATOM 0 HG12 ILE A 66 3.915 6.772 2.777 1.00 0.00 H new ATOM 0 HG13 ILE A 66 2.496 5.752 2.917 1.00 0.00 H new ATOM 0 HG21 ILE A 66 2.350 3.618 1.731 1.00 0.00 H new ATOM 0 HG22 ILE A 66 3.753 2.969 0.850 1.00 0.00 H new ATOM 0 HG23 ILE A 66 3.756 2.999 2.629 1.00 0.00 H new ATOM 0 HD11 ILE A 66 3.713 5.855 5.036 1.00 0.00 H new ATOM 0 HD12 ILE A 66 3.738 4.201 4.382 1.00 0.00 H new ATOM 0 HD13 ILE A 66 5.179 5.236 4.240 1.00 0.00 H new ATOM 977 N LYS A 67 6.022 7.195 1.654 1.00 0.00 N ATOM 978 CA LYS A 67 6.531 8.469 2.148 1.00 0.00 C ATOM 979 C LYS A 67 5.467 9.202 2.959 1.00 0.00 C ATOM 980 O LYS A 67 4.426 9.591 2.428 1.00 0.00 O ATOM 981 CB LYS A 67 6.992 9.345 0.981 1.00 0.00 C ATOM 982 CG LYS A 67 7.731 10.598 1.416 1.00 0.00 C ATOM 983 CD LYS A 67 9.085 10.266 2.020 1.00 0.00 C ATOM 984 CE LYS A 67 9.589 11.391 2.912 1.00 0.00 C ATOM 985 NZ LYS A 67 9.910 12.617 2.129 1.00 0.00 N ATOM 0 H LYS A 67 5.543 7.253 0.755 1.00 0.00 H new ATOM 0 HA LYS A 67 7.382 8.264 2.798 1.00 0.00 H new ATOM 0 HB2 LYS A 67 7.641 8.758 0.331 1.00 0.00 H new ATOM 0 HB3 LYS A 67 6.124 9.633 0.389 1.00 0.00 H new ATOM 0 HG2 LYS A 67 7.866 11.258 0.559 1.00 0.00 H new ATOM 0 HG3 LYS A 67 7.130 11.141 2.145 1.00 0.00 H new ATOM 0 HD2 LYS A 67 9.010 9.346 2.600 1.00 0.00 H new ATOM 0 HD3 LYS A 67 9.805 10.082 1.223 1.00 0.00 H new ATOM 0 HE2 LYS A 67 8.834 11.626 3.662 1.00 0.00 H new ATOM 0 HE3 LYS A 67 10.478 11.059 3.448 1.00 0.00 H new ATOM 0 HZ1 LYS A 67 10.266 13.355 2.770 1.00 0.00 H new ATOM 0 HZ2 LYS A 67 10.637 12.395 1.419 1.00 0.00 H new ATOM 0 HZ3 LYS A 67 9.052 12.958 1.651 1.00 0.00 H new ATOM 999 N TYR A 68 5.735 9.389 4.246 1.00 0.00 N ATOM 1000 CA TYR A 68 4.800 10.075 5.130 1.00 0.00 C ATOM 1001 C TYR A 68 5.543 10.907 6.170 1.00 0.00 C ATOM 1002 O TYR A 68 6.588 10.500 6.676 1.00 0.00 O ATOM 1003 CB TYR A 68 3.889 9.063 5.828 1.00 0.00 C ATOM 1004 CG TYR A 68 2.563 9.643 6.266 1.00 0.00 C ATOM 1005 CD1 TYR A 68 1.490 9.716 5.387 1.00 0.00 C ATOM 1006 CD2 TYR A 68 2.384 10.117 7.560 1.00 0.00 C ATOM 1007 CE1 TYR A 68 0.277 10.246 5.784 1.00 0.00 C ATOM 1008 CE2 TYR A 68 1.175 10.647 7.965 1.00 0.00 C ATOM 1009 CZ TYR A 68 0.124 10.710 7.074 1.00 0.00 C ATOM 1010 OH TYR A 68 -1.082 11.237 7.473 1.00 0.00 O ATOM 0 H TYR A 68 6.592 9.075 4.701 1.00 0.00 H new ATOM 0 HA TYR A 68 4.191 10.745 4.523 1.00 0.00 H new ATOM 0 HB2 TYR A 68 3.705 8.227 5.154 1.00 0.00 H new ATOM 0 HB3 TYR A 68 4.406 8.662 6.700 1.00 0.00 H new ATOM 0 HD1 TYR A 68 1.606 9.353 4.377 1.00 0.00 H new ATOM 0 HD2 TYR A 68 3.204 10.070 8.261 1.00 0.00 H new ATOM 0 HE1 TYR A 68 -0.547 10.297 5.088 1.00 0.00 H new ATOM 0 HE2 TYR A 68 1.053 11.010 8.975 1.00 0.00 H new ATOM 0 HH TYR A 68 -1.676 10.513 7.761 1.00 0.00 H new ATOM 1020 N ASN A 69 4.996 12.077 6.483 1.00 0.00 N ATOM 1021 CA ASN A 69 5.606 12.969 7.463 1.00 0.00 C ATOM 1022 C ASN A 69 7.081 13.196 7.147 1.00 0.00 C ATOM 1023 O ASN A 69 7.905 13.347 8.049 1.00 0.00 O ATOM 1024 CB ASN A 69 5.458 12.391 8.872 1.00 0.00 C ATOM 1025 CG ASN A 69 5.352 13.470 9.931 1.00 0.00 C ATOM 1026 OD1 ASN A 69 5.895 14.564 9.775 1.00 0.00 O ATOM 1027 ND2 ASN A 69 4.651 13.166 11.017 1.00 0.00 N ATOM 0 H ASN A 69 4.132 12.430 6.072 1.00 0.00 H new ATOM 0 HA ASN A 69 5.090 13.928 7.415 1.00 0.00 H new ATOM 0 HB2 ASN A 69 4.571 11.759 8.911 1.00 0.00 H new ATOM 0 HB3 ASN A 69 6.314 11.753 9.092 1.00 0.00 H new ATOM 0 HD21 ASN A 69 4.545 13.852 11.764 1.00 0.00 H new ATOM 0 HD22 ASN A 69 4.218 12.247 11.104 1.00 0.00 H new ATOM 1034 N VAL A 70 7.408 13.219 5.858 1.00 0.00 N ATOM 1035 CA VAL A 70 8.783 13.430 5.422 1.00 0.00 C ATOM 1036 C VAL A 70 9.682 12.280 5.863 1.00 0.00 C ATOM 1037 O VAL A 70 10.892 12.447 6.011 1.00 0.00 O ATOM 1038 CB VAL A 70 9.351 14.751 5.973 1.00 0.00 C ATOM 1039 CG1 VAL A 70 8.241 15.776 6.151 1.00 0.00 C ATOM 1040 CG2 VAL A 70 10.081 14.510 7.286 1.00 0.00 C ATOM 0 H VAL A 70 6.739 13.094 5.098 1.00 0.00 H new ATOM 0 HA VAL A 70 8.765 13.477 4.333 1.00 0.00 H new ATOM 0 HB VAL A 70 10.067 15.147 5.253 1.00 0.00 H new ATOM 0 HG11 VAL A 70 8.661 16.703 6.541 1.00 0.00 H new ATOM 0 HG12 VAL A 70 7.766 15.969 5.189 1.00 0.00 H new ATOM 0 HG13 VAL A 70 7.499 15.391 6.851 1.00 0.00 H new ATOM 0 HG21 VAL A 70 10.476 15.454 7.661 1.00 0.00 H new ATOM 0 HG22 VAL A 70 9.388 14.091 8.016 1.00 0.00 H new ATOM 0 HG23 VAL A 70 10.902 13.812 7.123 1.00 0.00 H new ATOM 1050 N GLU A 71 9.081 11.112 6.070 1.00 0.00 N ATOM 1051 CA GLU A 71 9.828 9.934 6.495 1.00 0.00 C ATOM 1052 C GLU A 71 9.287 8.676 5.822 1.00 0.00 C ATOM 1053 O GLU A 71 8.078 8.518 5.656 1.00 0.00 O ATOM 1054 CB GLU A 71 9.761 9.782 8.016 1.00 0.00 C ATOM 1055 CG GLU A 71 8.437 10.226 8.615 1.00 0.00 C ATOM 1056 CD GLU A 71 8.472 10.283 10.130 1.00 0.00 C ATOM 1057 OE1 GLU A 71 8.991 9.331 10.749 1.00 0.00 O ATOM 1058 OE2 GLU A 71 7.982 11.283 10.696 1.00 0.00 O ATOM 0 H GLU A 71 8.080 10.957 5.950 1.00 0.00 H new ATOM 0 HA GLU A 71 10.868 10.066 6.196 1.00 0.00 H new ATOM 0 HB2 GLU A 71 9.936 8.738 8.276 1.00 0.00 H new ATOM 0 HB3 GLU A 71 10.566 10.362 8.466 1.00 0.00 H new ATOM 0 HG2 GLU A 71 8.177 11.210 8.224 1.00 0.00 H new ATOM 0 HG3 GLU A 71 7.651 9.540 8.299 1.00 0.00 H new ATOM 1065 N VAL A 72 10.193 7.782 5.437 1.00 0.00 N ATOM 1066 CA VAL A 72 9.809 6.537 4.783 1.00 0.00 C ATOM 1067 C VAL A 72 9.400 5.483 5.806 1.00 0.00 C ATOM 1068 O VAL A 72 10.247 4.802 6.386 1.00 0.00 O ATOM 1069 CB VAL A 72 10.955 5.980 3.918 1.00 0.00 C ATOM 1070 CG1 VAL A 72 10.549 4.661 3.279 1.00 0.00 C ATOM 1071 CG2 VAL A 72 11.361 6.993 2.858 1.00 0.00 C ATOM 0 H VAL A 72 11.198 7.897 5.567 1.00 0.00 H new ATOM 0 HA VAL A 72 8.958 6.766 4.141 1.00 0.00 H new ATOM 0 HB VAL A 72 11.816 5.795 4.560 1.00 0.00 H new ATOM 0 HG11 VAL A 72 11.371 4.283 2.672 1.00 0.00 H new ATOM 0 HG12 VAL A 72 10.311 3.937 4.058 1.00 0.00 H new ATOM 0 HG13 VAL A 72 9.674 4.816 2.648 1.00 0.00 H new ATOM 0 HG21 VAL A 72 12.172 6.584 2.255 1.00 0.00 H new ATOM 0 HG22 VAL A 72 10.507 7.211 2.217 1.00 0.00 H new ATOM 0 HG23 VAL A 72 11.696 7.911 3.341 1.00 0.00 H new ATOM 1081 N LYS A 73 8.096 5.351 6.023 1.00 0.00 N ATOM 1082 CA LYS A 73 7.572 4.378 6.974 1.00 0.00 C ATOM 1083 C LYS A 73 7.461 2.998 6.335 1.00 0.00 C ATOM 1084 O LYS A 73 7.292 2.909 5.120 1.00 0.00 O ATOM 1085 CB LYS A 73 6.203 4.825 7.491 1.00 0.00 C ATOM 1086 CG LYS A 73 6.128 6.307 7.814 1.00 0.00 C ATOM 1087 CD LYS A 73 6.670 6.603 9.202 1.00 0.00 C ATOM 1088 CE LYS A 73 5.947 7.777 9.844 1.00 0.00 C ATOM 1089 NZ LYS A 73 6.373 7.986 11.256 1.00 0.00 N ATOM 0 H LYS A 73 7.382 5.907 5.552 1.00 0.00 H new ATOM 0 HA LYS A 73 8.267 4.316 7.812 1.00 0.00 H new ATOM 0 HB2 LYS A 73 5.446 4.586 6.744 1.00 0.00 H new ATOM 0 HB3 LYS A 73 5.958 4.254 8.387 1.00 0.00 H new ATOM 0 HG2 LYS A 73 6.695 6.871 7.073 1.00 0.00 H new ATOM 0 HG3 LYS A 73 5.093 6.643 7.747 1.00 0.00 H new ATOM 0 HD2 LYS A 73 6.563 5.720 9.832 1.00 0.00 H new ATOM 0 HD3 LYS A 73 7.736 6.821 9.139 1.00 0.00 H new ATOM 0 HE2 LYS A 73 6.141 8.682 9.268 1.00 0.00 H new ATOM 0 HE3 LYS A 73 4.871 7.603 9.811 1.00 0.00 H new ATOM 0 HZ1 LYS A 73 5.845 8.784 11.663 1.00 0.00 H new ATOM 0 HZ2 LYS A 73 6.180 7.126 11.808 1.00 0.00 H new ATOM 0 HZ3 LYS A 73 7.392 8.194 11.284 1.00 0.00 H new ATOM 1103 N HIS A 74 7.555 1.962 7.157 1.00 0.00 N ATOM 1104 CA HIS A 74 7.462 0.601 6.659 1.00 0.00 C ATOM 1105 C HIS A 74 6.196 -0.060 7.206 1.00 0.00 C ATOM 1106 O HIS A 74 5.737 0.225 8.313 1.00 0.00 O ATOM 1107 CB HIS A 74 8.732 -0.187 6.989 1.00 0.00 C ATOM 1108 CG HIS A 74 10.011 0.561 6.698 1.00 0.00 C ATOM 1109 ND1 HIS A 74 10.535 0.682 5.422 1.00 0.00 N ATOM 1110 CD2 HIS A 74 10.864 1.225 7.529 1.00 0.00 C ATOM 1111 CE1 HIS A 74 11.654 1.389 5.495 1.00 0.00 C ATOM 1112 NE2 HIS A 74 11.857 1.724 6.802 1.00 0.00 N ATOM 0 H HIS A 74 7.695 2.039 8.164 1.00 0.00 H new ATOM 0 HA HIS A 74 7.384 0.613 5.572 1.00 0.00 H new ATOM 0 HB2 HIS A 74 8.714 -0.460 8.044 1.00 0.00 H new ATOM 0 HB3 HIS A 74 8.729 -1.116 6.420 1.00 0.00 H new ATOM 0 HD1 HIS A 74 10.129 0.293 4.571 1.00 0.00 H new ATOM 0 HD2 HIS A 74 10.751 1.328 8.598 1.00 0.00 H new ATOM 0 HE1 HIS A 74 12.293 1.653 4.665 1.00 0.00 H new ATOM 1120 N ILE A 75 5.637 -0.957 6.400 1.00 0.00 N ATOM 1121 CA ILE A 75 4.426 -1.674 6.779 1.00 0.00 C ATOM 1122 C ILE A 75 4.650 -3.182 6.754 1.00 0.00 C ATOM 1123 O ILE A 75 4.653 -3.803 5.691 1.00 0.00 O ATOM 1124 CB ILE A 75 3.250 -1.325 5.847 1.00 0.00 C ATOM 1125 CG1 ILE A 75 3.056 0.191 5.781 1.00 0.00 C ATOM 1126 CG2 ILE A 75 1.977 -2.008 6.323 1.00 0.00 C ATOM 1127 CD1 ILE A 75 2.205 0.740 6.905 1.00 0.00 C ATOM 0 H ILE A 75 6.004 -1.204 5.481 1.00 0.00 H new ATOM 0 HA ILE A 75 4.179 -1.362 7.794 1.00 0.00 H new ATOM 0 HB ILE A 75 3.480 -1.686 4.845 1.00 0.00 H new ATOM 0 HG12 ILE A 75 4.032 0.676 5.805 1.00 0.00 H new ATOM 0 HG13 ILE A 75 2.595 0.449 4.828 1.00 0.00 H new ATOM 0 HG21 ILE A 75 1.155 -1.752 5.655 1.00 0.00 H new ATOM 0 HG22 ILE A 75 2.122 -3.088 6.323 1.00 0.00 H new ATOM 0 HG23 ILE A 75 1.741 -1.674 7.333 1.00 0.00 H new ATOM 0 HD11 ILE A 75 2.110 1.820 6.795 1.00 0.00 H new ATOM 0 HD12 ILE A 75 1.216 0.283 6.869 1.00 0.00 H new ATOM 0 HD13 ILE A 75 2.675 0.513 7.862 1.00 0.00 H new ATOM 1139 N LYS A 76 4.836 -3.766 7.933 1.00 0.00 N ATOM 1140 CA LYS A 76 5.057 -5.203 8.049 1.00 0.00 C ATOM 1141 C LYS A 76 3.843 -5.982 7.554 1.00 0.00 C ATOM 1142 O LYS A 76 2.730 -5.793 8.045 1.00 0.00 O ATOM 1143 CB LYS A 76 5.359 -5.578 9.502 1.00 0.00 C ATOM 1144 CG LYS A 76 5.234 -7.064 9.785 1.00 0.00 C ATOM 1145 CD LYS A 76 5.900 -7.440 11.098 1.00 0.00 C ATOM 1146 CE LYS A 76 5.920 -8.947 11.302 1.00 0.00 C ATOM 1147 NZ LYS A 76 7.071 -9.586 10.605 1.00 0.00 N ATOM 0 H LYS A 76 4.838 -3.266 8.822 1.00 0.00 H new ATOM 0 HA LYS A 76 5.913 -5.465 7.427 1.00 0.00 H new ATOM 0 HB2 LYS A 76 6.370 -5.253 9.750 1.00 0.00 H new ATOM 0 HB3 LYS A 76 4.680 -5.033 10.158 1.00 0.00 H new ATOM 0 HG2 LYS A 76 4.180 -7.342 9.818 1.00 0.00 H new ATOM 0 HG3 LYS A 76 5.687 -7.630 8.971 1.00 0.00 H new ATOM 0 HD2 LYS A 76 6.920 -7.056 11.113 1.00 0.00 H new ATOM 0 HD3 LYS A 76 5.370 -6.967 11.925 1.00 0.00 H new ATOM 0 HE2 LYS A 76 5.973 -9.168 12.368 1.00 0.00 H new ATOM 0 HE3 LYS A 76 4.988 -9.376 10.933 1.00 0.00 H new ATOM 0 HZ1 LYS A 76 7.049 -10.613 10.768 1.00 0.00 H new ATOM 0 HZ2 LYS A 76 7.008 -9.396 9.584 1.00 0.00 H new ATOM 0 HZ3 LYS A 76 7.961 -9.196 10.975 1.00 0.00 H new ATOM 1161 N ILE A 77 4.066 -6.860 6.581 1.00 0.00 N ATOM 1162 CA ILE A 77 2.990 -7.669 6.022 1.00 0.00 C ATOM 1163 C ILE A 77 3.003 -9.078 6.605 1.00 0.00 C ATOM 1164 O ILE A 77 4.046 -9.729 6.658 1.00 0.00 O ATOM 1165 CB ILE A 77 3.092 -7.759 4.488 1.00 0.00 C ATOM 1166 CG1 ILE A 77 3.038 -6.361 3.869 1.00 0.00 C ATOM 1167 CG2 ILE A 77 1.976 -8.633 3.934 1.00 0.00 C ATOM 1168 CD1 ILE A 77 3.340 -6.345 2.387 1.00 0.00 C ATOM 0 H ILE A 77 4.981 -7.029 6.164 1.00 0.00 H new ATOM 0 HA ILE A 77 2.054 -7.177 6.287 1.00 0.00 H new ATOM 0 HB ILE A 77 4.047 -8.214 4.228 1.00 0.00 H new ATOM 0 HG12 ILE A 77 2.048 -5.937 4.034 1.00 0.00 H new ATOM 0 HG13 ILE A 77 3.751 -5.717 4.384 1.00 0.00 H new ATOM 0 HG21 ILE A 77 2.061 -8.687 2.849 1.00 0.00 H new ATOM 0 HG22 ILE A 77 2.056 -9.635 4.355 1.00 0.00 H new ATOM 0 HG23 ILE A 77 1.011 -8.203 4.201 1.00 0.00 H new ATOM 0 HD11 ILE A 77 3.284 -5.322 2.015 1.00 0.00 H new ATOM 0 HD12 ILE A 77 4.342 -6.739 2.216 1.00 0.00 H new ATOM 0 HD13 ILE A 77 2.612 -6.963 1.861 1.00 0.00 H new ATOM 1180 N MET A 78 1.836 -9.544 7.040 1.00 0.00 N ATOM 1181 CA MET A 78 1.713 -10.878 7.616 1.00 0.00 C ATOM 1182 C MET A 78 0.901 -11.791 6.703 1.00 0.00 C ATOM 1183 O MET A 78 -0.105 -11.376 6.127 1.00 0.00 O ATOM 1184 CB MET A 78 1.056 -10.802 8.995 1.00 0.00 C ATOM 1185 CG MET A 78 1.633 -9.711 9.884 1.00 0.00 C ATOM 1186 SD MET A 78 1.362 -10.029 11.638 1.00 0.00 S ATOM 1187 CE MET A 78 -0.226 -9.238 11.884 1.00 0.00 C ATOM 0 H MET A 78 0.963 -9.018 7.004 1.00 0.00 H new ATOM 0 HA MET A 78 2.714 -11.296 7.721 1.00 0.00 H new ATOM 0 HB2 MET A 78 -0.013 -10.630 8.870 1.00 0.00 H new ATOM 0 HB3 MET A 78 1.168 -11.764 9.495 1.00 0.00 H new ATOM 0 HG2 MET A 78 2.703 -9.622 9.696 1.00 0.00 H new ATOM 0 HG3 MET A 78 1.182 -8.755 9.618 1.00 0.00 H new ATOM 0 HE1 MET A 78 -0.718 -9.672 12.755 1.00 0.00 H new ATOM 0 HE2 MET A 78 -0.079 -8.170 12.044 1.00 0.00 H new ATOM 0 HE3 MET A 78 -0.849 -9.390 11.003 1.00 0.00 H new ATOM 1197 N THR A 79 1.345 -13.038 6.574 1.00 0.00 N ATOM 1198 CA THR A 79 0.660 -14.010 5.731 1.00 0.00 C ATOM 1199 C THR A 79 -0.031 -15.077 6.571 1.00 0.00 C ATOM 1200 O THR A 79 0.581 -15.679 7.453 1.00 0.00 O ATOM 1201 CB THR A 79 1.637 -14.693 4.755 1.00 0.00 C ATOM 1202 OG1 THR A 79 2.916 -14.860 5.378 1.00 0.00 O ATOM 1203 CG2 THR A 79 1.791 -13.875 3.482 1.00 0.00 C ATOM 0 H THR A 79 2.176 -13.398 7.043 1.00 0.00 H new ATOM 0 HA THR A 79 -0.089 -13.461 5.160 1.00 0.00 H new ATOM 0 HB THR A 79 1.230 -15.670 4.493 1.00 0.00 H new ATOM 0 HG1 THR A 79 3.531 -15.296 4.752 1.00 0.00 H new ATOM 0 HG21 THR A 79 2.485 -14.377 2.809 1.00 0.00 H new ATOM 0 HG22 THR A 79 0.821 -13.775 2.994 1.00 0.00 H new ATOM 0 HG23 THR A 79 2.177 -12.886 3.729 1.00 0.00 H new ATOM 1211 N ALA A 80 -1.309 -15.308 6.291 1.00 0.00 N ATOM 1212 CA ALA A 80 -2.083 -16.306 7.020 1.00 0.00 C ATOM 1213 C ALA A 80 -3.084 -17.001 6.103 1.00 0.00 C ATOM 1214 O ALA A 80 -3.840 -16.347 5.386 1.00 0.00 O ATOM 1215 CB ALA A 80 -2.800 -15.661 8.196 1.00 0.00 C ATOM 0 H ALA A 80 -1.831 -14.818 5.565 1.00 0.00 H new ATOM 0 HA ALA A 80 -1.393 -17.060 7.399 1.00 0.00 H new ATOM 0 HB1 ALA A 80 -3.374 -16.417 8.731 1.00 0.00 H new ATOM 0 HB2 ALA A 80 -2.067 -15.217 8.870 1.00 0.00 H new ATOM 0 HB3 ALA A 80 -3.473 -14.886 7.831 1.00 0.00 H new ATOM 1221 N GLU A 81 -3.082 -18.330 6.132 1.00 0.00 N ATOM 1222 CA GLU A 81 -3.990 -19.113 5.302 1.00 0.00 C ATOM 1223 C GLU A 81 -3.712 -18.877 3.820 1.00 0.00 C ATOM 1224 O GLU A 81 -4.594 -19.041 2.978 1.00 0.00 O ATOM 1225 CB GLU A 81 -5.444 -18.758 5.623 1.00 0.00 C ATOM 1226 CG GLU A 81 -5.716 -18.594 7.108 1.00 0.00 C ATOM 1227 CD GLU A 81 -5.608 -19.901 7.870 1.00 0.00 C ATOM 1228 OE1 GLU A 81 -4.668 -20.673 7.589 1.00 0.00 O ATOM 1229 OE2 GLU A 81 -6.463 -20.151 8.745 1.00 0.00 O ATOM 0 H GLU A 81 -2.462 -18.887 6.721 1.00 0.00 H new ATOM 0 HA GLU A 81 -3.824 -20.168 5.521 1.00 0.00 H new ATOM 0 HB2 GLU A 81 -5.705 -17.832 5.110 1.00 0.00 H new ATOM 0 HB3 GLU A 81 -6.095 -19.537 5.227 1.00 0.00 H new ATOM 0 HG2 GLU A 81 -5.011 -17.875 7.525 1.00 0.00 H new ATOM 0 HG3 GLU A 81 -6.714 -18.178 7.247 1.00 0.00 H new ATOM 1236 N GLY A 82 -2.479 -18.490 3.509 1.00 0.00 N ATOM 1237 CA GLY A 82 -2.106 -18.237 2.130 1.00 0.00 C ATOM 1238 C GLY A 82 -2.475 -16.838 1.677 1.00 0.00 C ATOM 1239 O GLY A 82 -2.250 -16.471 0.523 1.00 0.00 O ATOM 0 H GLY A 82 -1.731 -18.347 4.188 1.00 0.00 H new ATOM 0 HA2 GLY A 82 -1.032 -18.381 2.015 1.00 0.00 H new ATOM 0 HA3 GLY A 82 -2.596 -18.966 1.485 1.00 0.00 H new ATOM 1243 N LEU A 83 -3.046 -16.055 2.586 1.00 0.00 N ATOM 1244 CA LEU A 83 -3.449 -14.689 2.273 1.00 0.00 C ATOM 1245 C LEU A 83 -2.428 -13.686 2.801 1.00 0.00 C ATOM 1246 O LEU A 83 -1.594 -14.018 3.643 1.00 0.00 O ATOM 1247 CB LEU A 83 -4.827 -14.393 2.870 1.00 0.00 C ATOM 1248 CG LEU A 83 -5.956 -15.335 2.450 1.00 0.00 C ATOM 1249 CD1 LEU A 83 -7.008 -15.428 3.545 1.00 0.00 C ATOM 1250 CD2 LEU A 83 -6.582 -14.868 1.145 1.00 0.00 C ATOM 0 H LEU A 83 -3.240 -16.343 3.545 1.00 0.00 H new ATOM 0 HA LEU A 83 -3.501 -14.591 1.189 1.00 0.00 H new ATOM 0 HB2 LEU A 83 -4.744 -14.420 3.956 1.00 0.00 H new ATOM 0 HB3 LEU A 83 -5.109 -13.376 2.597 1.00 0.00 H new ATOM 0 HG LEU A 83 -5.536 -16.328 2.293 1.00 0.00 H new ATOM 0 HD11 LEU A 83 -7.804 -16.103 3.229 1.00 0.00 H new ATOM 0 HD12 LEU A 83 -6.550 -15.809 4.458 1.00 0.00 H new ATOM 0 HD13 LEU A 83 -7.425 -14.439 3.734 1.00 0.00 H new ATOM 0 HD21 LEU A 83 -7.383 -15.550 0.861 1.00 0.00 H new ATOM 0 HD22 LEU A 83 -6.988 -13.865 1.275 1.00 0.00 H new ATOM 0 HD23 LEU A 83 -5.824 -14.854 0.362 1.00 0.00 H new ATOM 1262 N TYR A 84 -2.502 -12.457 2.301 1.00 0.00 N ATOM 1263 CA TYR A 84 -1.584 -11.405 2.722 1.00 0.00 C ATOM 1264 C TYR A 84 -2.331 -10.286 3.441 1.00 0.00 C ATOM 1265 O TYR A 84 -3.303 -9.739 2.921 1.00 0.00 O ATOM 1266 CB TYR A 84 -0.835 -10.839 1.514 1.00 0.00 C ATOM 1267 CG TYR A 84 0.058 -11.849 0.828 1.00 0.00 C ATOM 1268 CD1 TYR A 84 -0.428 -12.652 -0.197 1.00 0.00 C ATOM 1269 CD2 TYR A 84 1.386 -12.001 1.206 1.00 0.00 C ATOM 1270 CE1 TYR A 84 0.384 -13.576 -0.826 1.00 0.00 C ATOM 1271 CE2 TYR A 84 2.206 -12.921 0.581 1.00 0.00 C ATOM 1272 CZ TYR A 84 1.700 -13.706 -0.434 1.00 0.00 C ATOM 1273 OH TYR A 84 2.513 -14.625 -1.057 1.00 0.00 O ATOM 0 H TYR A 84 -3.188 -12.165 1.604 1.00 0.00 H new ATOM 0 HA TYR A 84 -0.865 -11.841 3.415 1.00 0.00 H new ATOM 0 HB2 TYR A 84 -1.559 -10.458 0.794 1.00 0.00 H new ATOM 0 HB3 TYR A 84 -0.230 -9.991 1.836 1.00 0.00 H new ATOM 0 HD1 TYR A 84 -1.458 -12.552 -0.507 1.00 0.00 H new ATOM 0 HD2 TYR A 84 1.784 -11.390 2.002 1.00 0.00 H new ATOM 0 HE1 TYR A 84 -0.010 -14.193 -1.620 1.00 0.00 H new ATOM 0 HE2 TYR A 84 3.237 -13.025 0.885 1.00 0.00 H new ATOM 0 HH TYR A 84 3.410 -14.589 -0.663 1.00 0.00 H new ATOM 1283 N ARG A 85 -1.868 -9.950 4.641 1.00 0.00 N ATOM 1284 CA ARG A 85 -2.491 -8.896 5.433 1.00 0.00 C ATOM 1285 C ARG A 85 -1.559 -8.432 6.549 1.00 0.00 C ATOM 1286 O ARG A 85 -1.084 -9.238 7.349 1.00 0.00 O ATOM 1287 CB ARG A 85 -3.811 -9.390 6.028 1.00 0.00 C ATOM 1288 CG ARG A 85 -3.742 -10.808 6.571 1.00 0.00 C ATOM 1289 CD ARG A 85 -4.895 -11.097 7.520 1.00 0.00 C ATOM 1290 NE ARG A 85 -4.667 -12.308 8.304 1.00 0.00 N ATOM 1291 CZ ARG A 85 -5.638 -12.992 8.898 1.00 0.00 C ATOM 1292 NH1 ARG A 85 -6.897 -12.587 8.798 1.00 0.00 N ATOM 1293 NH2 ARG A 85 -5.352 -14.084 9.595 1.00 0.00 N ATOM 0 H ARG A 85 -1.064 -10.392 5.086 1.00 0.00 H new ATOM 0 HA ARG A 85 -2.691 -8.050 4.775 1.00 0.00 H new ATOM 0 HB2 ARG A 85 -4.112 -8.717 6.831 1.00 0.00 H new ATOM 0 HB3 ARG A 85 -4.586 -9.340 5.263 1.00 0.00 H new ATOM 0 HG2 ARG A 85 -3.764 -11.517 5.744 1.00 0.00 H new ATOM 0 HG3 ARG A 85 -2.795 -10.954 7.091 1.00 0.00 H new ATOM 0 HD2 ARG A 85 -5.032 -10.250 8.192 1.00 0.00 H new ATOM 0 HD3 ARG A 85 -5.817 -11.203 6.949 1.00 0.00 H new ATOM 0 HE ARG A 85 -3.710 -12.647 8.401 1.00 0.00 H new ATOM 0 HH11 ARG A 85 -7.122 -11.748 8.264 1.00 0.00 H new ATOM 0 HH12 ARG A 85 -7.640 -13.115 9.255 1.00 0.00 H new ATOM 0 HH21 ARG A 85 -4.385 -14.399 9.675 1.00 0.00 H new ATOM 0 HH22 ARG A 85 -6.099 -14.608 10.051 1.00 0.00 H new ATOM 1307 N ILE A 86 -1.304 -7.129 6.595 1.00 0.00 N ATOM 1308 CA ILE A 86 -0.430 -6.559 7.613 1.00 0.00 C ATOM 1309 C ILE A 86 -1.061 -6.659 8.998 1.00 0.00 C ATOM 1310 O ILE A 86 -0.367 -6.604 10.014 1.00 0.00 O ATOM 1311 CB ILE A 86 -0.108 -5.083 7.315 1.00 0.00 C ATOM 1312 CG1 ILE A 86 -1.350 -4.214 7.521 1.00 0.00 C ATOM 1313 CG2 ILE A 86 0.421 -4.932 5.896 1.00 0.00 C ATOM 1314 CD1 ILE A 86 -1.034 -2.755 7.764 1.00 0.00 C ATOM 0 H ILE A 86 -1.690 -6.449 5.940 1.00 0.00 H new ATOM 0 HA ILE A 86 0.494 -7.136 7.594 1.00 0.00 H new ATOM 0 HB ILE A 86 0.664 -4.749 8.008 1.00 0.00 H new ATOM 0 HG12 ILE A 86 -1.991 -4.297 6.643 1.00 0.00 H new ATOM 0 HG13 ILE A 86 -1.917 -4.600 8.368 1.00 0.00 H new ATOM 0 HG21 ILE A 86 0.644 -3.883 5.701 1.00 0.00 H new ATOM 0 HG22 ILE A 86 1.329 -5.524 5.781 1.00 0.00 H new ATOM 0 HG23 ILE A 86 -0.331 -5.281 5.188 1.00 0.00 H new ATOM 0 HD11 ILE A 86 -1.962 -2.200 7.901 1.00 0.00 H new ATOM 0 HD12 ILE A 86 -0.419 -2.660 8.659 1.00 0.00 H new ATOM 0 HD13 ILE A 86 -0.494 -2.352 6.907 1.00 0.00 H new ATOM 1326 N THR A 87 -2.381 -6.810 9.032 1.00 0.00 N ATOM 1327 CA THR A 87 -3.106 -6.920 10.291 1.00 0.00 C ATOM 1328 C THR A 87 -4.082 -8.091 10.264 1.00 0.00 C ATOM 1329 O THR A 87 -4.637 -8.422 9.218 1.00 0.00 O ATOM 1330 CB THR A 87 -3.882 -5.627 10.607 1.00 0.00 C ATOM 1331 OG1 THR A 87 -4.623 -5.785 11.823 1.00 0.00 O ATOM 1332 CG2 THR A 87 -4.831 -5.274 9.472 1.00 0.00 C ATOM 0 H THR A 87 -2.970 -6.859 8.201 1.00 0.00 H new ATOM 0 HA THR A 87 -2.362 -7.089 11.070 1.00 0.00 H new ATOM 0 HB THR A 87 -3.162 -4.817 10.723 1.00 0.00 H new ATOM 0 HG1 THR A 87 -5.112 -4.958 12.018 1.00 0.00 H new ATOM 0 HG21 THR A 87 -5.368 -4.358 9.718 1.00 0.00 H new ATOM 0 HG22 THR A 87 -4.262 -5.126 8.554 1.00 0.00 H new ATOM 0 HG23 THR A 87 -5.545 -6.085 9.329 1.00 0.00 H new ATOM 1340 N GLU A 88 -4.286 -8.712 11.422 1.00 0.00 N ATOM 1341 CA GLU A 88 -5.195 -9.847 11.529 1.00 0.00 C ATOM 1342 C GLU A 88 -6.647 -9.379 11.558 1.00 0.00 C ATOM 1343 O GLU A 88 -7.448 -9.851 12.366 1.00 0.00 O ATOM 1344 CB GLU A 88 -4.885 -10.661 12.786 1.00 0.00 C ATOM 1345 CG GLU A 88 -5.084 -9.886 14.078 1.00 0.00 C ATOM 1346 CD GLU A 88 -4.893 -10.747 15.311 1.00 0.00 C ATOM 1347 OE1 GLU A 88 -3.752 -11.193 15.552 1.00 0.00 O ATOM 1348 OE2 GLU A 88 -5.885 -10.976 16.034 1.00 0.00 O ATOM 0 H GLU A 88 -3.835 -8.448 12.298 1.00 0.00 H new ATOM 0 HA GLU A 88 -5.052 -10.479 10.652 1.00 0.00 H new ATOM 0 HB2 GLU A 88 -5.521 -11.546 12.801 1.00 0.00 H new ATOM 0 HB3 GLU A 88 -3.854 -11.011 12.737 1.00 0.00 H new ATOM 0 HG2 GLU A 88 -4.382 -9.053 14.109 1.00 0.00 H new ATOM 0 HG3 GLU A 88 -6.087 -9.459 14.090 1.00 0.00 H new ATOM 1355 N LYS A 89 -6.981 -8.448 10.670 1.00 0.00 N ATOM 1356 CA LYS A 89 -8.336 -7.916 10.592 1.00 0.00 C ATOM 1357 C LYS A 89 -9.006 -8.324 9.284 1.00 0.00 C ATOM 1358 O LYS A 89 -10.208 -8.590 9.247 1.00 0.00 O ATOM 1359 CB LYS A 89 -8.314 -6.390 10.712 1.00 0.00 C ATOM 1360 CG LYS A 89 -8.131 -5.895 12.136 1.00 0.00 C ATOM 1361 CD LYS A 89 -9.467 -5.685 12.829 1.00 0.00 C ATOM 1362 CE LYS A 89 -9.996 -4.276 12.605 1.00 0.00 C ATOM 1363 NZ LYS A 89 -9.356 -3.291 13.520 1.00 0.00 N ATOM 0 H LYS A 89 -6.331 -8.046 9.994 1.00 0.00 H new ATOM 0 HA LYS A 89 -8.911 -8.331 11.419 1.00 0.00 H new ATOM 0 HB2 LYS A 89 -7.508 -5.997 10.093 1.00 0.00 H new ATOM 0 HB3 LYS A 89 -9.246 -5.989 10.314 1.00 0.00 H new ATOM 0 HG2 LYS A 89 -7.537 -6.615 12.699 1.00 0.00 H new ATOM 0 HG3 LYS A 89 -7.573 -4.959 12.128 1.00 0.00 H new ATOM 0 HD2 LYS A 89 -10.190 -6.410 12.455 1.00 0.00 H new ATOM 0 HD3 LYS A 89 -9.356 -5.868 13.898 1.00 0.00 H new ATOM 0 HE2 LYS A 89 -9.817 -3.981 11.571 1.00 0.00 H new ATOM 0 HE3 LYS A 89 -11.075 -4.265 12.757 1.00 0.00 H new ATOM 0 HZ1 LYS A 89 -9.935 -2.428 13.560 1.00 0.00 H new ATOM 0 HZ2 LYS A 89 -9.279 -3.701 14.473 1.00 0.00 H new ATOM 0 HZ3 LYS A 89 -8.407 -3.055 13.167 1.00 0.00 H new ATOM 1377 N LYS A 90 -8.222 -8.372 8.213 1.00 0.00 N ATOM 1378 CA LYS A 90 -8.738 -8.751 6.903 1.00 0.00 C ATOM 1379 C LYS A 90 -7.625 -9.301 6.017 1.00 0.00 C ATOM 1380 O LYS A 90 -6.565 -8.690 5.885 1.00 0.00 O ATOM 1381 CB LYS A 90 -9.396 -7.547 6.223 1.00 0.00 C ATOM 1382 CG LYS A 90 -9.599 -7.728 4.729 1.00 0.00 C ATOM 1383 CD LYS A 90 -10.964 -8.319 4.419 1.00 0.00 C ATOM 1384 CE LYS A 90 -11.947 -7.247 3.973 1.00 0.00 C ATOM 1385 NZ LYS A 90 -12.258 -6.288 5.069 1.00 0.00 N ATOM 0 H LYS A 90 -7.226 -8.153 8.226 1.00 0.00 H new ATOM 0 HA LYS A 90 -9.484 -9.533 7.047 1.00 0.00 H new ATOM 0 HB2 LYS A 90 -10.362 -7.358 6.692 1.00 0.00 H new ATOM 0 HB3 LYS A 90 -8.781 -6.663 6.393 1.00 0.00 H new ATOM 0 HG2 LYS A 90 -9.496 -6.766 4.228 1.00 0.00 H new ATOM 0 HG3 LYS A 90 -8.821 -8.379 4.331 1.00 0.00 H new ATOM 0 HD2 LYS A 90 -10.866 -9.073 3.638 1.00 0.00 H new ATOM 0 HD3 LYS A 90 -11.352 -8.825 5.303 1.00 0.00 H new ATOM 0 HE2 LYS A 90 -11.532 -6.705 3.123 1.00 0.00 H new ATOM 0 HE3 LYS A 90 -12.868 -7.719 3.631 1.00 0.00 H new ATOM 0 HZ1 LYS A 90 -13.205 -5.885 4.919 1.00 0.00 H new ATOM 0 HZ2 LYS A 90 -12.234 -6.785 5.982 1.00 0.00 H new ATOM 0 HZ3 LYS A 90 -11.553 -5.524 5.072 1.00 0.00 H new ATOM 1399 N ALA A 91 -7.873 -10.459 5.413 1.00 0.00 N ATOM 1400 CA ALA A 91 -6.893 -11.090 4.538 1.00 0.00 C ATOM 1401 C ALA A 91 -7.402 -11.157 3.102 1.00 0.00 C ATOM 1402 O ALA A 91 -8.589 -11.377 2.863 1.00 0.00 O ATOM 1403 CB ALA A 91 -6.552 -12.483 5.045 1.00 0.00 C ATOM 0 H ALA A 91 -8.745 -10.979 5.514 1.00 0.00 H new ATOM 0 HA ALA A 91 -5.989 -10.481 4.547 1.00 0.00 H new ATOM 0 HB1 ALA A 91 -5.819 -12.942 4.382 1.00 0.00 H new ATOM 0 HB2 ALA A 91 -6.138 -12.413 6.051 1.00 0.00 H new ATOM 0 HB3 ALA A 91 -7.455 -13.094 5.066 1.00 0.00 H new ATOM 1409 N PHE A 92 -6.496 -10.965 2.149 1.00 0.00 N ATOM 1410 CA PHE A 92 -6.854 -11.002 0.736 1.00 0.00 C ATOM 1411 C PHE A 92 -6.043 -12.063 -0.003 1.00 0.00 C ATOM 1412 O PHE A 92 -5.088 -12.619 0.540 1.00 0.00 O ATOM 1413 CB PHE A 92 -6.626 -9.632 0.094 1.00 0.00 C ATOM 1414 CG PHE A 92 -7.179 -8.492 0.902 1.00 0.00 C ATOM 1415 CD1 PHE A 92 -6.667 -8.202 2.156 1.00 0.00 C ATOM 1416 CD2 PHE A 92 -8.211 -7.711 0.407 1.00 0.00 C ATOM 1417 CE1 PHE A 92 -7.174 -7.155 2.901 1.00 0.00 C ATOM 1418 CE2 PHE A 92 -8.722 -6.662 1.147 1.00 0.00 C ATOM 1419 CZ PHE A 92 -8.202 -6.383 2.396 1.00 0.00 C ATOM 0 H PHE A 92 -5.509 -10.782 2.329 1.00 0.00 H new ATOM 0 HA PHE A 92 -7.911 -11.259 0.662 1.00 0.00 H new ATOM 0 HB2 PHE A 92 -5.556 -9.480 -0.049 1.00 0.00 H new ATOM 0 HB3 PHE A 92 -7.084 -9.622 -0.895 1.00 0.00 H new ATOM 0 HD1 PHE A 92 -5.862 -8.801 2.556 1.00 0.00 H new ATOM 0 HD2 PHE A 92 -8.621 -7.925 -0.569 1.00 0.00 H new ATOM 0 HE1 PHE A 92 -6.767 -6.940 3.878 1.00 0.00 H new ATOM 0 HE2 PHE A 92 -9.527 -6.061 0.750 1.00 0.00 H new ATOM 0 HZ PHE A 92 -8.598 -5.563 2.976 1.00 0.00 H new ATOM 1429 N ARG A 93 -6.431 -12.338 -1.244 1.00 0.00 N ATOM 1430 CA ARG A 93 -5.742 -13.333 -2.057 1.00 0.00 C ATOM 1431 C ARG A 93 -4.273 -12.965 -2.237 1.00 0.00 C ATOM 1432 O ARG A 93 -3.382 -13.752 -1.917 1.00 0.00 O ATOM 1433 CB ARG A 93 -6.418 -13.462 -3.424 1.00 0.00 C ATOM 1434 CG ARG A 93 -7.914 -13.714 -3.342 1.00 0.00 C ATOM 1435 CD ARG A 93 -8.701 -12.412 -3.369 1.00 0.00 C ATOM 1436 NE ARG A 93 -9.976 -12.558 -4.066 1.00 0.00 N ATOM 1437 CZ ARG A 93 -10.926 -11.630 -4.060 1.00 0.00 C ATOM 1438 NH1 ARG A 93 -10.746 -10.496 -3.397 1.00 0.00 N ATOM 1439 NH2 ARG A 93 -12.060 -11.835 -4.718 1.00 0.00 N ATOM 0 H ARG A 93 -7.219 -11.886 -1.708 1.00 0.00 H new ATOM 0 HA ARG A 93 -5.798 -14.291 -1.540 1.00 0.00 H new ATOM 0 HB2 ARG A 93 -6.243 -12.550 -3.994 1.00 0.00 H new ATOM 0 HB3 ARG A 93 -5.950 -14.278 -3.976 1.00 0.00 H new ATOM 0 HG2 ARG A 93 -8.224 -14.345 -4.175 1.00 0.00 H new ATOM 0 HG3 ARG A 93 -8.143 -14.260 -2.426 1.00 0.00 H new ATOM 0 HD2 ARG A 93 -8.882 -12.077 -2.348 1.00 0.00 H new ATOM 0 HD3 ARG A 93 -8.107 -11.639 -3.857 1.00 0.00 H new ATOM 0 HE ARG A 93 -10.146 -13.419 -4.585 1.00 0.00 H new ATOM 0 HH11 ARG A 93 -9.876 -10.334 -2.890 1.00 0.00 H new ATOM 0 HH12 ARG A 93 -11.478 -9.785 -3.394 1.00 0.00 H new ATOM 0 HH21 ARG A 93 -12.203 -12.706 -5.229 1.00 0.00 H new ATOM 0 HH22 ARG A 93 -12.789 -11.122 -4.713 1.00 0.00 H new ATOM 1453 N GLY A 94 -4.027 -11.764 -2.751 1.00 0.00 N ATOM 1454 CA GLY A 94 -2.664 -11.314 -2.965 1.00 0.00 C ATOM 1455 C GLY A 94 -2.492 -9.834 -2.685 1.00 0.00 C ATOM 1456 O GLY A 94 -3.465 -9.128 -2.418 1.00 0.00 O ATOM 0 H GLY A 94 -4.747 -11.095 -3.023 1.00 0.00 H new ATOM 0 HA2 GLY A 94 -1.992 -11.883 -2.323 1.00 0.00 H new ATOM 0 HA3 GLY A 94 -2.373 -11.522 -3.995 1.00 0.00 H new ATOM 1460 N LEU A 95 -1.251 -9.363 -2.746 1.00 0.00 N ATOM 1461 CA LEU A 95 -0.954 -7.956 -2.495 1.00 0.00 C ATOM 1462 C LEU A 95 -1.928 -7.052 -3.244 1.00 0.00 C ATOM 1463 O LEU A 95 -2.593 -6.207 -2.645 1.00 0.00 O ATOM 1464 CB LEU A 95 0.482 -7.636 -2.914 1.00 0.00 C ATOM 1465 CG LEU A 95 1.556 -7.851 -1.847 1.00 0.00 C ATOM 1466 CD1 LEU A 95 1.597 -6.673 -0.886 1.00 0.00 C ATOM 1467 CD2 LEU A 95 1.306 -9.148 -1.092 1.00 0.00 C ATOM 0 H LEU A 95 -0.435 -9.934 -2.967 1.00 0.00 H new ATOM 0 HA LEU A 95 -1.064 -7.771 -1.426 1.00 0.00 H new ATOM 0 HB2 LEU A 95 0.731 -8.248 -3.781 1.00 0.00 H new ATOM 0 HB3 LEU A 95 0.522 -6.596 -3.237 1.00 0.00 H new ATOM 0 HG LEU A 95 2.524 -7.923 -2.343 1.00 0.00 H new ATOM 0 HD11 LEU A 95 2.367 -6.844 -0.134 1.00 0.00 H new ATOM 0 HD12 LEU A 95 1.825 -5.761 -1.438 1.00 0.00 H new ATOM 0 HD13 LEU A 95 0.629 -6.569 -0.397 1.00 0.00 H new ATOM 0 HD21 LEU A 95 2.080 -9.284 -0.337 1.00 0.00 H new ATOM 0 HD22 LEU A 95 0.330 -9.105 -0.608 1.00 0.00 H new ATOM 0 HD23 LEU A 95 1.328 -9.985 -1.790 1.00 0.00 H new ATOM 1479 N THR A 96 -2.008 -7.237 -4.558 1.00 0.00 N ATOM 1480 CA THR A 96 -2.902 -6.440 -5.389 1.00 0.00 C ATOM 1481 C THR A 96 -4.168 -6.062 -4.629 1.00 0.00 C ATOM 1482 O THR A 96 -4.584 -4.904 -4.637 1.00 0.00 O ATOM 1483 CB THR A 96 -3.293 -7.191 -6.675 1.00 0.00 C ATOM 1484 OG1 THR A 96 -2.155 -7.878 -7.207 1.00 0.00 O ATOM 1485 CG2 THR A 96 -3.844 -6.230 -7.717 1.00 0.00 C ATOM 0 H THR A 96 -1.464 -7.932 -5.070 1.00 0.00 H new ATOM 0 HA THR A 96 -2.359 -5.534 -5.658 1.00 0.00 H new ATOM 0 HB THR A 96 -4.069 -7.914 -6.425 1.00 0.00 H new ATOM 0 HG1 THR A 96 -1.394 -7.263 -7.253 1.00 0.00 H new ATOM 0 HG21 THR A 96 -4.113 -6.784 -8.616 1.00 0.00 H new ATOM 0 HG22 THR A 96 -4.728 -5.731 -7.320 1.00 0.00 H new ATOM 0 HG23 THR A 96 -3.086 -5.486 -7.962 1.00 0.00 H new ATOM 1493 N GLU A 97 -4.775 -7.046 -3.973 1.00 0.00 N ATOM 1494 CA GLU A 97 -5.995 -6.814 -3.209 1.00 0.00 C ATOM 1495 C GLU A 97 -5.685 -6.111 -1.890 1.00 0.00 C ATOM 1496 O GLU A 97 -6.158 -5.002 -1.639 1.00 0.00 O ATOM 1497 CB GLU A 97 -6.712 -8.138 -2.937 1.00 0.00 C ATOM 1498 CG GLU A 97 -7.207 -8.832 -4.195 1.00 0.00 C ATOM 1499 CD GLU A 97 -8.084 -7.936 -5.048 1.00 0.00 C ATOM 1500 OE1 GLU A 97 -8.961 -7.251 -4.481 1.00 0.00 O ATOM 1501 OE2 GLU A 97 -7.895 -7.921 -6.282 1.00 0.00 O ATOM 0 H GLU A 97 -4.442 -8.010 -3.955 1.00 0.00 H new ATOM 0 HA GLU A 97 -6.647 -6.171 -3.800 1.00 0.00 H new ATOM 0 HB2 GLU A 97 -6.034 -8.806 -2.406 1.00 0.00 H new ATOM 0 HB3 GLU A 97 -7.559 -7.954 -2.277 1.00 0.00 H new ATOM 0 HG2 GLU A 97 -6.351 -9.163 -4.783 1.00 0.00 H new ATOM 0 HG3 GLU A 97 -7.767 -9.724 -3.917 1.00 0.00 H new ATOM 1508 N LEU A 98 -4.889 -6.765 -1.051 1.00 0.00 N ATOM 1509 CA LEU A 98 -4.516 -6.204 0.243 1.00 0.00 C ATOM 1510 C LEU A 98 -4.278 -4.701 0.137 1.00 0.00 C ATOM 1511 O LEU A 98 -4.769 -3.924 0.957 1.00 0.00 O ATOM 1512 CB LEU A 98 -3.259 -6.894 0.776 1.00 0.00 C ATOM 1513 CG LEU A 98 -2.830 -6.506 2.192 1.00 0.00 C ATOM 1514 CD1 LEU A 98 -1.831 -5.360 2.152 1.00 0.00 C ATOM 1515 CD2 LEU A 98 -4.042 -6.130 3.032 1.00 0.00 C ATOM 0 H LEU A 98 -4.490 -7.684 -1.243 1.00 0.00 H new ATOM 0 HA LEU A 98 -5.339 -6.375 0.936 1.00 0.00 H new ATOM 0 HB2 LEU A 98 -3.421 -7.972 0.749 1.00 0.00 H new ATOM 0 HB3 LEU A 98 -2.435 -6.679 0.096 1.00 0.00 H new ATOM 0 HG LEU A 98 -2.346 -7.367 2.653 1.00 0.00 H new ATOM 0 HD11 LEU A 98 -1.537 -5.098 3.168 1.00 0.00 H new ATOM 0 HD12 LEU A 98 -0.950 -5.665 1.587 1.00 0.00 H new ATOM 0 HD13 LEU A 98 -2.289 -4.495 1.672 1.00 0.00 H new ATOM 0 HD21 LEU A 98 -3.718 -5.857 4.036 1.00 0.00 H new ATOM 0 HD22 LEU A 98 -4.554 -5.284 2.573 1.00 0.00 H new ATOM 0 HD23 LEU A 98 -4.723 -6.979 3.089 1.00 0.00 H new ATOM 1527 N VAL A 99 -3.524 -4.296 -0.881 1.00 0.00 N ATOM 1528 CA VAL A 99 -3.224 -2.886 -1.097 1.00 0.00 C ATOM 1529 C VAL A 99 -4.464 -2.124 -1.550 1.00 0.00 C ATOM 1530 O VAL A 99 -4.740 -1.025 -1.068 1.00 0.00 O ATOM 1531 CB VAL A 99 -2.111 -2.703 -2.145 1.00 0.00 C ATOM 1532 CG1 VAL A 99 -1.709 -1.239 -2.247 1.00 0.00 C ATOM 1533 CG2 VAL A 99 -0.910 -3.572 -1.803 1.00 0.00 C ATOM 0 H VAL A 99 -3.110 -4.925 -1.569 1.00 0.00 H new ATOM 0 HA VAL A 99 -2.883 -2.485 -0.143 1.00 0.00 H new ATOM 0 HB VAL A 99 -2.494 -3.018 -3.116 1.00 0.00 H new ATOM 0 HG11 VAL A 99 -0.921 -1.129 -2.992 1.00 0.00 H new ATOM 0 HG12 VAL A 99 -2.573 -0.644 -2.542 1.00 0.00 H new ATOM 0 HG13 VAL A 99 -1.344 -0.894 -1.280 1.00 0.00 H new ATOM 0 HG21 VAL A 99 -0.133 -3.430 -2.554 1.00 0.00 H new ATOM 0 HG22 VAL A 99 -0.524 -3.290 -0.823 1.00 0.00 H new ATOM 0 HG23 VAL A 99 -1.212 -4.619 -1.786 1.00 0.00 H new ATOM 1543 N GLU A 100 -5.209 -2.715 -2.479 1.00 0.00 N ATOM 1544 CA GLU A 100 -6.420 -2.090 -2.998 1.00 0.00 C ATOM 1545 C GLU A 100 -7.347 -1.673 -1.860 1.00 0.00 C ATOM 1546 O GLU A 100 -8.006 -0.635 -1.930 1.00 0.00 O ATOM 1547 CB GLU A 100 -7.151 -3.048 -3.941 1.00 0.00 C ATOM 1548 CG GLU A 100 -6.775 -2.869 -5.402 1.00 0.00 C ATOM 1549 CD GLU A 100 -7.924 -3.179 -6.342 1.00 0.00 C ATOM 1550 OE1 GLU A 100 -9.067 -2.784 -6.034 1.00 0.00 O ATOM 1551 OE2 GLU A 100 -7.678 -3.818 -7.387 1.00 0.00 O ATOM 0 H GLU A 100 -4.995 -3.625 -2.887 1.00 0.00 H new ATOM 0 HA GLU A 100 -6.129 -1.198 -3.552 1.00 0.00 H new ATOM 0 HB2 GLU A 100 -6.935 -4.074 -3.642 1.00 0.00 H new ATOM 0 HB3 GLU A 100 -8.226 -2.903 -3.831 1.00 0.00 H new ATOM 0 HG2 GLU A 100 -6.444 -1.843 -5.565 1.00 0.00 H new ATOM 0 HG3 GLU A 100 -5.932 -3.518 -5.638 1.00 0.00 H new ATOM 1558 N PHE A 101 -7.394 -2.490 -0.813 1.00 0.00 N ATOM 1559 CA PHE A 101 -8.241 -2.208 0.340 1.00 0.00 C ATOM 1560 C PHE A 101 -7.688 -1.037 1.147 1.00 0.00 C ATOM 1561 O PHE A 101 -8.372 -0.034 1.355 1.00 0.00 O ATOM 1562 CB PHE A 101 -8.356 -3.447 1.231 1.00 0.00 C ATOM 1563 CG PHE A 101 -9.480 -3.369 2.224 1.00 0.00 C ATOM 1564 CD1 PHE A 101 -10.791 -3.574 1.824 1.00 0.00 C ATOM 1565 CD2 PHE A 101 -9.226 -3.090 3.557 1.00 0.00 C ATOM 1566 CE1 PHE A 101 -11.828 -3.504 2.735 1.00 0.00 C ATOM 1567 CE2 PHE A 101 -10.259 -3.019 4.473 1.00 0.00 C ATOM 1568 CZ PHE A 101 -11.561 -3.225 4.061 1.00 0.00 C ATOM 0 H PHE A 101 -6.855 -3.353 -0.739 1.00 0.00 H new ATOM 0 HA PHE A 101 -9.232 -1.939 -0.026 1.00 0.00 H new ATOM 0 HB2 PHE A 101 -8.498 -4.325 0.602 1.00 0.00 H new ATOM 0 HB3 PHE A 101 -7.417 -3.588 1.767 1.00 0.00 H new ATOM 0 HD1 PHE A 101 -11.005 -3.791 0.788 1.00 0.00 H new ATOM 0 HD2 PHE A 101 -8.210 -2.926 3.884 1.00 0.00 H new ATOM 0 HE1 PHE A 101 -12.845 -3.667 2.411 1.00 0.00 H new ATOM 0 HE2 PHE A 101 -10.048 -2.803 5.510 1.00 0.00 H new ATOM 0 HZ PHE A 101 -12.369 -3.168 4.775 1.00 0.00 H new ATOM 1578 N TYR A 102 -6.447 -1.172 1.601 1.00 0.00 N ATOM 1579 CA TYR A 102 -5.803 -0.128 2.388 1.00 0.00 C ATOM 1580 C TYR A 102 -5.799 1.199 1.634 1.00 0.00 C ATOM 1581 O TYR A 102 -5.520 2.250 2.209 1.00 0.00 O ATOM 1582 CB TYR A 102 -4.370 -0.533 2.737 1.00 0.00 C ATOM 1583 CG TYR A 102 -4.286 -1.719 3.671 1.00 0.00 C ATOM 1584 CD1 TYR A 102 -5.229 -1.906 4.674 1.00 0.00 C ATOM 1585 CD2 TYR A 102 -3.264 -2.652 3.551 1.00 0.00 C ATOM 1586 CE1 TYR A 102 -5.156 -2.988 5.530 1.00 0.00 C ATOM 1587 CE2 TYR A 102 -3.183 -3.737 4.402 1.00 0.00 C ATOM 1588 CZ TYR A 102 -4.132 -3.901 5.390 1.00 0.00 C ATOM 1589 OH TYR A 102 -4.056 -4.980 6.240 1.00 0.00 O ATOM 0 H TYR A 102 -5.867 -1.995 1.437 1.00 0.00 H new ATOM 0 HA TYR A 102 -6.372 -0.000 3.309 1.00 0.00 H new ATOM 0 HB2 TYR A 102 -3.833 -0.767 1.818 1.00 0.00 H new ATOM 0 HB3 TYR A 102 -3.863 0.316 3.195 1.00 0.00 H new ATOM 0 HD1 TYR A 102 -6.033 -1.193 4.786 1.00 0.00 H new ATOM 0 HD2 TYR A 102 -2.520 -2.527 2.779 1.00 0.00 H new ATOM 0 HE1 TYR A 102 -5.897 -3.118 6.305 1.00 0.00 H new ATOM 0 HE2 TYR A 102 -2.381 -4.453 4.295 1.00 0.00 H new ATOM 0 HH TYR A 102 -4.788 -5.602 6.045 1.00 0.00 H new ATOM 1599 N GLN A 103 -6.112 1.139 0.344 1.00 0.00 N ATOM 1600 CA GLN A 103 -6.145 2.335 -0.489 1.00 0.00 C ATOM 1601 C GLN A 103 -7.405 3.152 -0.221 1.00 0.00 C ATOM 1602 O GLN A 103 -7.462 4.341 -0.530 1.00 0.00 O ATOM 1603 CB GLN A 103 -6.077 1.953 -1.969 1.00 0.00 C ATOM 1604 CG GLN A 103 -4.666 1.671 -2.460 1.00 0.00 C ATOM 1605 CD GLN A 103 -4.639 1.111 -3.868 1.00 0.00 C ATOM 1606 OE1 GLN A 103 -5.595 1.266 -4.628 1.00 0.00 O ATOM 1607 NE2 GLN A 103 -3.540 0.456 -4.225 1.00 0.00 N ATOM 0 H GLN A 103 -6.346 0.276 -0.147 1.00 0.00 H new ATOM 0 HA GLN A 103 -5.278 2.946 -0.237 1.00 0.00 H new ATOM 0 HB2 GLN A 103 -6.694 1.070 -2.137 1.00 0.00 H new ATOM 0 HB3 GLN A 103 -6.506 2.760 -2.564 1.00 0.00 H new ATOM 0 HG2 GLN A 103 -4.084 2.592 -2.428 1.00 0.00 H new ATOM 0 HG3 GLN A 103 -4.184 0.965 -1.783 1.00 0.00 H new ATOM 0 HE21 GLN A 103 -2.771 0.351 -3.563 1.00 0.00 H new ATOM 0 HE22 GLN A 103 -3.465 0.058 -5.161 1.00 0.00 H new ATOM 1616 N GLN A 104 -8.412 2.504 0.356 1.00 0.00 N ATOM 1617 CA GLN A 104 -9.672 3.170 0.665 1.00 0.00 C ATOM 1618 C GLN A 104 -9.849 3.328 2.172 1.00 0.00 C ATOM 1619 O GLN A 104 -10.682 4.108 2.630 1.00 0.00 O ATOM 1620 CB GLN A 104 -10.846 2.383 0.082 1.00 0.00 C ATOM 1621 CG GLN A 104 -10.546 0.908 -0.128 1.00 0.00 C ATOM 1622 CD GLN A 104 -11.639 0.193 -0.897 1.00 0.00 C ATOM 1623 OE1 GLN A 104 -12.827 0.418 -0.663 1.00 0.00 O ATOM 1624 NE2 GLN A 104 -11.243 -0.674 -1.822 1.00 0.00 N ATOM 0 H GLN A 104 -8.380 1.519 0.619 1.00 0.00 H new ATOM 0 HA GLN A 104 -9.649 4.162 0.214 1.00 0.00 H new ATOM 0 HB2 GLN A 104 -11.704 2.479 0.748 1.00 0.00 H new ATOM 0 HB3 GLN A 104 -11.132 2.826 -0.872 1.00 0.00 H new ATOM 0 HG2 GLN A 104 -9.603 0.806 -0.665 1.00 0.00 H new ATOM 0 HG3 GLN A 104 -10.414 0.427 0.841 1.00 0.00 H new ATOM 0 HE21 GLN A 104 -10.248 -0.829 -1.983 1.00 0.00 H new ATOM 0 HE22 GLN A 104 -11.934 -1.184 -2.372 1.00 0.00 H new ATOM 1633 N ASN A 105 -9.058 2.582 2.937 1.00 0.00 N ATOM 1634 CA ASN A 105 -9.128 2.639 4.393 1.00 0.00 C ATOM 1635 C ASN A 105 -7.768 2.987 4.990 1.00 0.00 C ATOM 1636 O ASN A 105 -6.757 2.367 4.660 1.00 0.00 O ATOM 1637 CB ASN A 105 -9.617 1.302 4.953 1.00 0.00 C ATOM 1638 CG ASN A 105 -9.338 0.145 4.013 1.00 0.00 C ATOM 1639 OD1 ASN A 105 -8.408 -0.633 4.228 1.00 0.00 O ATOM 1640 ND2 ASN A 105 -10.144 0.027 2.965 1.00 0.00 N ATOM 0 H ASN A 105 -8.362 1.931 2.573 1.00 0.00 H new ATOM 0 HA ASN A 105 -9.836 3.421 4.668 1.00 0.00 H new ATOM 0 HB2 ASN A 105 -9.132 1.113 5.911 1.00 0.00 H new ATOM 0 HB3 ASN A 105 -10.688 1.361 5.144 1.00 0.00 H new ATOM 0 HD21 ASN A 105 -10.005 -0.732 2.298 1.00 0.00 H new ATOM 0 HD22 ASN A 105 -10.902 0.695 2.827 1.00 0.00 H new ATOM 1647 N SER A 106 -7.752 3.983 5.870 1.00 0.00 N ATOM 1648 CA SER A 106 -6.516 4.416 6.511 1.00 0.00 C ATOM 1649 C SER A 106 -5.784 3.232 7.136 1.00 0.00 C ATOM 1650 O SER A 106 -6.405 2.333 7.705 1.00 0.00 O ATOM 1651 CB SER A 106 -6.813 5.468 7.582 1.00 0.00 C ATOM 1652 OG SER A 106 -5.623 5.895 8.222 1.00 0.00 O ATOM 0 H SER A 106 -8.581 4.505 6.155 1.00 0.00 H new ATOM 0 HA SER A 106 -5.875 4.856 5.747 1.00 0.00 H new ATOM 0 HB2 SER A 106 -7.312 6.324 7.127 1.00 0.00 H new ATOM 0 HB3 SER A 106 -7.499 5.055 8.321 1.00 0.00 H new ATOM 0 HG SER A 106 -5.815 6.675 8.783 1.00 0.00 H new ATOM 1658 N LEU A 107 -4.460 3.238 7.025 1.00 0.00 N ATOM 1659 CA LEU A 107 -3.641 2.165 7.578 1.00 0.00 C ATOM 1660 C LEU A 107 -3.563 2.268 9.098 1.00 0.00 C ATOM 1661 O LEU A 107 -3.155 1.324 9.775 1.00 0.00 O ATOM 1662 CB LEU A 107 -2.234 2.210 6.979 1.00 0.00 C ATOM 1663 CG LEU A 107 -2.089 1.651 5.563 1.00 0.00 C ATOM 1664 CD1 LEU A 107 -1.972 0.136 5.596 1.00 0.00 C ATOM 1665 CD2 LEU A 107 -3.267 2.078 4.698 1.00 0.00 C ATOM 0 H LEU A 107 -3.931 3.974 6.557 1.00 0.00 H new ATOM 0 HA LEU A 107 -4.108 1.215 7.320 1.00 0.00 H new ATOM 0 HB2 LEU A 107 -1.895 3.246 6.975 1.00 0.00 H new ATOM 0 HB3 LEU A 107 -1.563 1.657 7.637 1.00 0.00 H new ATOM 0 HG LEU A 107 -1.176 2.055 5.125 1.00 0.00 H new ATOM 0 HD11 LEU A 107 -1.870 -0.243 4.579 1.00 0.00 H new ATOM 0 HD12 LEU A 107 -1.096 -0.149 6.179 1.00 0.00 H new ATOM 0 HD13 LEU A 107 -2.866 -0.288 6.053 1.00 0.00 H new ATOM 0 HD21 LEU A 107 -3.147 1.671 3.694 1.00 0.00 H new ATOM 0 HD22 LEU A 107 -4.193 1.703 5.133 1.00 0.00 H new ATOM 0 HD23 LEU A 107 -3.305 3.166 4.647 1.00 0.00 H new ATOM 1677 N LYS A 108 -3.957 3.420 9.628 1.00 0.00 N ATOM 1678 CA LYS A 108 -3.935 3.647 11.069 1.00 0.00 C ATOM 1679 C LYS A 108 -4.445 2.421 11.820 1.00 0.00 C ATOM 1680 O LYS A 108 -3.810 1.954 12.766 1.00 0.00 O ATOM 1681 CB LYS A 108 -4.786 4.868 11.426 1.00 0.00 C ATOM 1682 CG LYS A 108 -6.271 4.670 11.173 1.00 0.00 C ATOM 1683 CD LYS A 108 -7.065 5.923 11.503 1.00 0.00 C ATOM 1684 CE LYS A 108 -8.562 5.681 11.384 1.00 0.00 C ATOM 1685 NZ LYS A 108 -9.125 5.074 12.622 1.00 0.00 N ATOM 0 H LYS A 108 -4.296 4.212 9.082 1.00 0.00 H new ATOM 0 HA LYS A 108 -2.903 3.831 11.368 1.00 0.00 H new ATOM 0 HB2 LYS A 108 -4.634 5.111 12.478 1.00 0.00 H new ATOM 0 HB3 LYS A 108 -4.439 5.724 10.848 1.00 0.00 H new ATOM 0 HG2 LYS A 108 -6.430 4.402 10.129 1.00 0.00 H new ATOM 0 HG3 LYS A 108 -6.636 3.838 11.775 1.00 0.00 H new ATOM 0 HD2 LYS A 108 -6.827 6.250 12.515 1.00 0.00 H new ATOM 0 HD3 LYS A 108 -6.771 6.729 10.831 1.00 0.00 H new ATOM 0 HE2 LYS A 108 -9.068 6.625 11.180 1.00 0.00 H new ATOM 0 HE3 LYS A 108 -8.758 5.025 10.536 1.00 0.00 H new ATOM 0 HZ1 LYS A 108 -10.147 4.925 12.502 1.00 0.00 H new ATOM 0 HZ2 LYS A 108 -8.661 4.161 12.803 1.00 0.00 H new ATOM 0 HZ3 LYS A 108 -8.961 5.712 13.427 1.00 0.00 H new ATOM 1699 N ASP A 109 -5.591 1.905 11.392 1.00 0.00 N ATOM 1700 CA ASP A 109 -6.184 0.732 12.023 1.00 0.00 C ATOM 1701 C ASP A 109 -5.103 -0.228 12.511 1.00 0.00 C ATOM 1702 O ASP A 109 -5.196 -0.776 13.610 1.00 0.00 O ATOM 1703 CB ASP A 109 -7.115 0.015 11.044 1.00 0.00 C ATOM 1704 CG ASP A 109 -7.870 -1.128 11.694 1.00 0.00 C ATOM 1705 OD1 ASP A 109 -7.278 -1.819 12.549 1.00 0.00 O ATOM 1706 OD2 ASP A 109 -9.052 -1.333 11.346 1.00 0.00 O ATOM 0 H ASP A 109 -6.128 2.280 10.610 1.00 0.00 H new ATOM 0 HA ASP A 109 -6.763 1.067 12.884 1.00 0.00 H new ATOM 0 HB2 ASP A 109 -7.828 0.731 10.634 1.00 0.00 H new ATOM 0 HB3 ASP A 109 -6.532 -0.368 10.207 1.00 0.00 H new ATOM 1711 N CYS A 110 -4.080 -0.426 11.687 1.00 0.00 N ATOM 1712 CA CYS A 110 -2.982 -1.321 12.034 1.00 0.00 C ATOM 1713 C CYS A 110 -1.876 -0.567 12.765 1.00 0.00 C ATOM 1714 O CYS A 110 -1.206 -1.119 13.638 1.00 0.00 O ATOM 1715 CB CYS A 110 -2.418 -1.982 10.775 1.00 0.00 C ATOM 1716 SG CYS A 110 -3.676 -2.460 9.567 1.00 0.00 S ATOM 0 H CYS A 110 -3.988 0.021 10.775 1.00 0.00 H new ATOM 0 HA CYS A 110 -3.371 -2.093 12.698 1.00 0.00 H new ATOM 0 HB2 CYS A 110 -1.716 -1.296 10.301 1.00 0.00 H new ATOM 0 HB3 CYS A 110 -1.852 -2.868 11.065 1.00 0.00 H new ATOM 0 HG CYS A 110 -3.778 -1.536 8.658 1.00 0.00 H new ATOM 1722 N PHE A 111 -1.690 0.698 12.402 1.00 0.00 N ATOM 1723 CA PHE A 111 -0.663 1.528 13.022 1.00 0.00 C ATOM 1724 C PHE A 111 -1.214 2.909 13.365 1.00 0.00 C ATOM 1725 O PHE A 111 -1.020 3.870 12.620 1.00 0.00 O ATOM 1726 CB PHE A 111 0.543 1.664 12.091 1.00 0.00 C ATOM 1727 CG PHE A 111 1.197 0.353 11.761 1.00 0.00 C ATOM 1728 CD1 PHE A 111 1.968 -0.308 12.704 1.00 0.00 C ATOM 1729 CD2 PHE A 111 1.040 -0.220 10.509 1.00 0.00 C ATOM 1730 CE1 PHE A 111 2.572 -1.515 12.403 1.00 0.00 C ATOM 1731 CE2 PHE A 111 1.641 -1.426 10.203 1.00 0.00 C ATOM 1732 CZ PHE A 111 2.407 -2.075 11.151 1.00 0.00 C ATOM 0 H PHE A 111 -2.237 1.171 11.682 1.00 0.00 H new ATOM 0 HA PHE A 111 -0.347 1.043 13.946 1.00 0.00 H new ATOM 0 HB2 PHE A 111 0.225 2.145 11.166 1.00 0.00 H new ATOM 0 HB3 PHE A 111 1.278 2.321 12.556 1.00 0.00 H new ATOM 0 HD1 PHE A 111 2.099 0.124 13.685 1.00 0.00 H new ATOM 0 HD2 PHE A 111 0.441 0.282 9.764 1.00 0.00 H new ATOM 0 HE1 PHE A 111 3.172 -2.019 13.146 1.00 0.00 H new ATOM 0 HE2 PHE A 111 1.512 -1.861 9.223 1.00 0.00 H new ATOM 0 HZ PHE A 111 2.876 -3.018 10.914 1.00 0.00 H new ATOM 1742 N LYS A 112 -1.902 3.000 14.497 1.00 0.00 N ATOM 1743 CA LYS A 112 -2.482 4.263 14.941 1.00 0.00 C ATOM 1744 C LYS A 112 -1.502 5.413 14.736 1.00 0.00 C ATOM 1745 O LYS A 112 -1.899 6.524 14.382 1.00 0.00 O ATOM 1746 CB LYS A 112 -2.879 4.174 16.417 1.00 0.00 C ATOM 1747 CG LYS A 112 -1.693 4.141 17.365 1.00 0.00 C ATOM 1748 CD LYS A 112 -1.293 5.539 17.807 1.00 0.00 C ATOM 1749 CE LYS A 112 -0.004 5.522 18.614 1.00 0.00 C ATOM 1750 NZ LYS A 112 -0.251 5.199 20.047 1.00 0.00 N ATOM 0 H LYS A 112 -2.072 2.214 15.125 1.00 0.00 H new ATOM 0 HA LYS A 112 -3.372 4.456 14.342 1.00 0.00 H new ATOM 0 HB2 LYS A 112 -3.510 5.027 16.667 1.00 0.00 H new ATOM 0 HB3 LYS A 112 -3.480 3.278 16.569 1.00 0.00 H new ATOM 0 HG2 LYS A 112 -1.942 3.539 18.239 1.00 0.00 H new ATOM 0 HG3 LYS A 112 -0.848 3.658 16.875 1.00 0.00 H new ATOM 0 HD2 LYS A 112 -1.167 6.176 16.932 1.00 0.00 H new ATOM 0 HD3 LYS A 112 -2.093 5.975 18.406 1.00 0.00 H new ATOM 0 HE2 LYS A 112 0.681 4.788 18.189 1.00 0.00 H new ATOM 0 HE3 LYS A 112 0.484 6.494 18.540 1.00 0.00 H new ATOM 0 HZ1 LYS A 112 0.652 5.197 20.563 1.00 0.00 H new ATOM 0 HZ2 LYS A 112 -0.884 5.913 20.460 1.00 0.00 H new ATOM 0 HZ3 LYS A 112 -0.693 4.261 20.120 1.00 0.00 H new ATOM 1764 N SER A 113 -0.220 5.140 14.958 1.00 0.00 N ATOM 1765 CA SER A 113 0.816 6.153 14.800 1.00 0.00 C ATOM 1766 C SER A 113 0.963 6.556 13.335 1.00 0.00 C ATOM 1767 O SER A 113 1.228 7.718 13.022 1.00 0.00 O ATOM 1768 CB SER A 113 2.153 5.634 15.333 1.00 0.00 C ATOM 1769 OG SER A 113 2.568 4.476 14.630 1.00 0.00 O ATOM 0 H SER A 113 0.126 4.225 15.248 1.00 0.00 H new ATOM 0 HA SER A 113 0.520 7.031 15.374 1.00 0.00 H new ATOM 0 HB2 SER A 113 2.912 6.411 15.240 1.00 0.00 H new ATOM 0 HB3 SER A 113 2.060 5.405 16.395 1.00 0.00 H new ATOM 0 HG SER A 113 3.426 4.165 14.989 1.00 0.00 H new ATOM 1775 N LEU A 114 0.788 5.589 12.442 1.00 0.00 N ATOM 1776 CA LEU A 114 0.900 5.841 11.010 1.00 0.00 C ATOM 1777 C LEU A 114 -0.479 5.961 10.368 1.00 0.00 C ATOM 1778 O LEU A 114 -1.104 4.958 10.024 1.00 0.00 O ATOM 1779 CB LEU A 114 1.692 4.719 10.335 1.00 0.00 C ATOM 1780 CG LEU A 114 1.855 4.831 8.819 1.00 0.00 C ATOM 1781 CD1 LEU A 114 2.292 6.234 8.430 1.00 0.00 C ATOM 1782 CD2 LEU A 114 2.852 3.799 8.312 1.00 0.00 C ATOM 0 H LEU A 114 0.568 4.623 12.684 1.00 0.00 H new ATOM 0 HA LEU A 114 1.428 6.785 10.873 1.00 0.00 H new ATOM 0 HB2 LEU A 114 2.684 4.680 10.785 1.00 0.00 H new ATOM 0 HB3 LEU A 114 1.203 3.771 10.559 1.00 0.00 H new ATOM 0 HG LEU A 114 0.889 4.633 8.354 1.00 0.00 H new ATOM 0 HD11 LEU A 114 2.403 6.294 7.347 1.00 0.00 H new ATOM 0 HD12 LEU A 114 1.541 6.953 8.758 1.00 0.00 H new ATOM 0 HD13 LEU A 114 3.246 6.463 8.905 1.00 0.00 H new ATOM 0 HD21 LEU A 114 2.955 3.893 7.231 1.00 0.00 H new ATOM 0 HD22 LEU A 114 3.820 3.965 8.785 1.00 0.00 H new ATOM 0 HD23 LEU A 114 2.496 2.798 8.556 1.00 0.00 H new ATOM 1794 N ASP A 115 -0.946 7.195 10.209 1.00 0.00 N ATOM 1795 CA ASP A 115 -2.249 7.447 9.606 1.00 0.00 C ATOM 1796 C ASP A 115 -2.101 7.853 8.143 1.00 0.00 C ATOM 1797 O ASP A 115 -2.261 9.022 7.792 1.00 0.00 O ATOM 1798 CB ASP A 115 -2.990 8.539 10.379 1.00 0.00 C ATOM 1799 CG ASP A 115 -2.044 9.515 11.052 1.00 0.00 C ATOM 1800 OD1 ASP A 115 -1.621 10.485 10.389 1.00 0.00 O ATOM 1801 OD2 ASP A 115 -1.728 9.308 12.242 1.00 0.00 O ATOM 0 H ASP A 115 -0.441 8.036 10.489 1.00 0.00 H new ATOM 0 HA ASP A 115 -2.828 6.524 9.652 1.00 0.00 H new ATOM 0 HB2 ASP A 115 -3.644 9.083 9.697 1.00 0.00 H new ATOM 0 HB3 ASP A 115 -3.628 8.077 11.133 1.00 0.00 H new ATOM 1806 N THR A 116 -1.794 6.879 7.292 1.00 0.00 N ATOM 1807 CA THR A 116 -1.622 7.134 5.867 1.00 0.00 C ATOM 1808 C THR A 116 -2.306 6.060 5.029 1.00 0.00 C ATOM 1809 O THR A 116 -2.703 5.014 5.545 1.00 0.00 O ATOM 1810 CB THR A 116 -0.132 7.198 5.483 1.00 0.00 C ATOM 1811 OG1 THR A 116 0.013 7.750 4.170 1.00 0.00 O ATOM 1812 CG2 THR A 116 0.498 5.814 5.529 1.00 0.00 C ATOM 0 H THR A 116 -1.659 5.906 7.565 1.00 0.00 H new ATOM 0 HA THR A 116 -2.084 8.100 5.661 1.00 0.00 H new ATOM 0 HB THR A 116 0.379 7.837 6.203 1.00 0.00 H new ATOM 0 HG1 THR A 116 0.079 8.726 4.231 1.00 0.00 H new ATOM 0 HG21 THR A 116 1.550 5.884 5.254 1.00 0.00 H new ATOM 0 HG22 THR A 116 0.412 5.409 6.537 1.00 0.00 H new ATOM 0 HG23 THR A 116 -0.017 5.156 4.829 1.00 0.00 H new ATOM 1820 N THR A 117 -2.440 6.322 3.733 1.00 0.00 N ATOM 1821 CA THR A 117 -3.076 5.378 2.823 1.00 0.00 C ATOM 1822 C THR A 117 -2.268 5.221 1.540 1.00 0.00 C ATOM 1823 O THR A 117 -1.562 6.140 1.123 1.00 0.00 O ATOM 1824 CB THR A 117 -4.507 5.819 2.465 1.00 0.00 C ATOM 1825 OG1 THR A 117 -4.599 7.248 2.488 1.00 0.00 O ATOM 1826 CG2 THR A 117 -5.516 5.225 3.436 1.00 0.00 C ATOM 0 H THR A 117 -2.116 7.181 3.289 1.00 0.00 H new ATOM 0 HA THR A 117 -3.119 4.420 3.341 1.00 0.00 H new ATOM 0 HB THR A 117 -4.735 5.456 1.463 1.00 0.00 H new ATOM 0 HG1 THR A 117 -5.512 7.521 2.258 1.00 0.00 H new ATOM 0 HG21 THR A 117 -6.520 5.551 3.163 1.00 0.00 H new ATOM 0 HG22 THR A 117 -5.464 4.137 3.395 1.00 0.00 H new ATOM 0 HG23 THR A 117 -5.289 5.561 4.448 1.00 0.00 H new ATOM 1834 N LEU A 118 -2.376 4.053 0.918 1.00 0.00 N ATOM 1835 CA LEU A 118 -1.655 3.776 -0.320 1.00 0.00 C ATOM 1836 C LEU A 118 -2.065 4.751 -1.419 1.00 0.00 C ATOM 1837 O LEU A 118 -2.971 4.472 -2.203 1.00 0.00 O ATOM 1838 CB LEU A 118 -1.916 2.339 -0.775 1.00 0.00 C ATOM 1839 CG LEU A 118 -1.388 1.237 0.145 1.00 0.00 C ATOM 1840 CD1 LEU A 118 0.109 1.396 0.362 1.00 0.00 C ATOM 1841 CD2 LEU A 118 -2.126 1.253 1.475 1.00 0.00 C ATOM 0 H LEU A 118 -2.956 3.282 1.250 1.00 0.00 H new ATOM 0 HA LEU A 118 -0.590 3.902 -0.127 1.00 0.00 H new ATOM 0 HB2 LEU A 118 -2.992 2.205 -0.889 1.00 0.00 H new ATOM 0 HB3 LEU A 118 -1.472 2.205 -1.761 1.00 0.00 H new ATOM 0 HG LEU A 118 -1.565 0.274 -0.334 1.00 0.00 H new ATOM 0 HD11 LEU A 118 0.468 0.604 1.019 1.00 0.00 H new ATOM 0 HD12 LEU A 118 0.624 1.334 -0.597 1.00 0.00 H new ATOM 0 HD13 LEU A 118 0.309 2.365 0.819 1.00 0.00 H new ATOM 0 HD21 LEU A 118 -1.737 0.462 2.116 1.00 0.00 H new ATOM 0 HD22 LEU A 118 -1.981 2.218 1.960 1.00 0.00 H new ATOM 0 HD23 LEU A 118 -3.190 1.090 1.303 1.00 0.00 H new ATOM 1853 N GLN A 119 -1.390 5.895 -1.469 1.00 0.00 N ATOM 1854 CA GLN A 119 -1.684 6.911 -2.473 1.00 0.00 C ATOM 1855 C GLN A 119 -1.297 6.427 -3.867 1.00 0.00 C ATOM 1856 O GLN A 119 -2.159 6.105 -4.685 1.00 0.00 O ATOM 1857 CB GLN A 119 -0.944 8.210 -2.147 1.00 0.00 C ATOM 1858 CG GLN A 119 -1.022 8.603 -0.681 1.00 0.00 C ATOM 1859 CD GLN A 119 -1.033 10.106 -0.480 1.00 0.00 C ATOM 1860 OE1 GLN A 119 -0.590 10.862 -1.344 1.00 0.00 O ATOM 1861 NE2 GLN A 119 -1.540 10.546 0.666 1.00 0.00 N ATOM 0 H GLN A 119 -0.637 6.141 -0.827 1.00 0.00 H new ATOM 0 HA GLN A 119 -2.757 7.100 -2.459 1.00 0.00 H new ATOM 0 HB2 GLN A 119 0.103 8.103 -2.431 1.00 0.00 H new ATOM 0 HB3 GLN A 119 -1.358 9.016 -2.753 1.00 0.00 H new ATOM 0 HG2 GLN A 119 -1.923 8.175 -0.241 1.00 0.00 H new ATOM 0 HG3 GLN A 119 -0.173 8.175 -0.148 1.00 0.00 H new ATOM 0 HE21 GLN A 119 -1.896 9.883 1.354 1.00 0.00 H new ATOM 0 HE22 GLN A 119 -1.573 11.547 0.858 1.00 0.00 H new ATOM 1870 N PHE A 120 0.004 6.380 -4.131 1.00 0.00 N ATOM 1871 CA PHE A 120 0.505 5.937 -5.427 1.00 0.00 C ATOM 1872 C PHE A 120 1.799 5.144 -5.267 1.00 0.00 C ATOM 1873 O PHE A 120 2.537 5.301 -4.294 1.00 0.00 O ATOM 1874 CB PHE A 120 0.740 7.138 -6.345 1.00 0.00 C ATOM 1875 CG PHE A 120 -0.155 8.306 -6.044 1.00 0.00 C ATOM 1876 CD1 PHE A 120 -1.502 8.264 -6.364 1.00 0.00 C ATOM 1877 CD2 PHE A 120 0.351 9.447 -5.442 1.00 0.00 C ATOM 1878 CE1 PHE A 120 -2.329 9.337 -6.089 1.00 0.00 C ATOM 1879 CE2 PHE A 120 -0.471 10.523 -5.164 1.00 0.00 C ATOM 1880 CZ PHE A 120 -1.812 10.468 -5.489 1.00 0.00 C ATOM 0 H PHE A 120 0.731 6.643 -3.465 1.00 0.00 H new ATOM 0 HA PHE A 120 -0.246 5.287 -5.876 1.00 0.00 H new ATOM 0 HB2 PHE A 120 1.779 7.455 -6.257 1.00 0.00 H new ATOM 0 HB3 PHE A 120 0.587 6.830 -7.379 1.00 0.00 H new ATOM 0 HD1 PHE A 120 -1.911 7.382 -6.834 1.00 0.00 H new ATOM 0 HD2 PHE A 120 1.399 9.496 -5.187 1.00 0.00 H new ATOM 0 HE1 PHE A 120 -3.378 9.291 -6.343 1.00 0.00 H new ATOM 0 HE2 PHE A 120 -0.065 11.406 -4.693 1.00 0.00 H new ATOM 0 HZ PHE A 120 -2.455 11.308 -5.274 1.00 0.00 H new ATOM 1890 N PRO A 121 2.082 4.271 -6.245 1.00 0.00 N ATOM 1891 CA PRO A 121 3.287 3.435 -6.237 1.00 0.00 C ATOM 1892 C PRO A 121 4.557 4.248 -6.461 1.00 0.00 C ATOM 1893 O PRO A 121 4.499 5.450 -6.723 1.00 0.00 O ATOM 1894 CB PRO A 121 3.057 2.469 -7.401 1.00 0.00 C ATOM 1895 CG PRO A 121 2.131 3.193 -8.317 1.00 0.00 C ATOM 1896 CD PRO A 121 1.248 4.031 -7.435 1.00 0.00 C ATOM 0 HA PRO A 121 3.433 2.939 -5.277 1.00 0.00 H new ATOM 0 HB2 PRO A 121 3.994 2.221 -7.900 1.00 0.00 H new ATOM 0 HB3 PRO A 121 2.621 1.531 -7.057 1.00 0.00 H new ATOM 0 HG2 PRO A 121 2.685 3.816 -9.020 1.00 0.00 H new ATOM 0 HG3 PRO A 121 1.541 2.493 -8.908 1.00 0.00 H new ATOM 0 HD2 PRO A 121 0.964 4.964 -7.921 1.00 0.00 H new ATOM 0 HD3 PRO A 121 0.325 3.511 -7.180 1.00 0.00 H new ATOM 1904 N PHE A 122 5.704 3.585 -6.358 1.00 0.00 N ATOM 1905 CA PHE A 122 6.990 4.247 -6.549 1.00 0.00 C ATOM 1906 C PHE A 122 7.428 4.171 -8.009 1.00 0.00 C ATOM 1907 O PHE A 122 7.942 5.141 -8.567 1.00 0.00 O ATOM 1908 CB PHE A 122 8.053 3.611 -5.652 1.00 0.00 C ATOM 1909 CG PHE A 122 8.668 2.371 -6.236 1.00 0.00 C ATOM 1910 CD1 PHE A 122 8.030 1.146 -6.122 1.00 0.00 C ATOM 1911 CD2 PHE A 122 9.882 2.431 -6.900 1.00 0.00 C ATOM 1912 CE1 PHE A 122 8.594 0.004 -6.658 1.00 0.00 C ATOM 1913 CE2 PHE A 122 10.451 1.291 -7.438 1.00 0.00 C ATOM 1914 CZ PHE A 122 9.805 0.077 -7.318 1.00 0.00 C ATOM 0 H PHE A 122 5.770 2.590 -6.143 1.00 0.00 H new ATOM 0 HA PHE A 122 6.875 5.296 -6.276 1.00 0.00 H new ATOM 0 HB2 PHE A 122 8.839 4.341 -5.461 1.00 0.00 H new ATOM 0 HB3 PHE A 122 7.605 3.366 -4.689 1.00 0.00 H new ATOM 0 HD1 PHE A 122 7.082 1.083 -5.609 1.00 0.00 H new ATOM 0 HD2 PHE A 122 10.390 3.379 -6.999 1.00 0.00 H new ATOM 0 HE1 PHE A 122 8.088 -0.945 -6.561 1.00 0.00 H new ATOM 0 HE2 PHE A 122 11.399 1.351 -7.951 1.00 0.00 H new ATOM 0 HZ PHE A 122 10.246 -0.814 -7.740 1.00 0.00 H new ATOM 1924 N LYS A 123 7.223 3.010 -8.622 1.00 0.00 N ATOM 1925 CA LYS A 123 7.595 2.805 -10.017 1.00 0.00 C ATOM 1926 C LYS A 123 6.833 3.761 -10.930 1.00 0.00 C ATOM 1927 O LYS A 123 7.289 4.081 -12.027 1.00 0.00 O ATOM 1928 CB LYS A 123 7.321 1.358 -10.432 1.00 0.00 C ATOM 1929 CG LYS A 123 8.372 0.376 -9.946 1.00 0.00 C ATOM 1930 CD LYS A 123 8.522 -0.798 -10.899 1.00 0.00 C ATOM 1931 CE LYS A 123 9.092 -2.019 -10.194 1.00 0.00 C ATOM 1932 NZ LYS A 123 9.759 -2.949 -11.147 1.00 0.00 N ATOM 0 H LYS A 123 6.801 2.196 -8.174 1.00 0.00 H new ATOM 0 HA LYS A 123 8.661 3.009 -10.116 1.00 0.00 H new ATOM 0 HB2 LYS A 123 6.348 1.056 -10.045 1.00 0.00 H new ATOM 0 HB3 LYS A 123 7.262 1.306 -11.519 1.00 0.00 H new ATOM 0 HG2 LYS A 123 9.329 0.887 -9.844 1.00 0.00 H new ATOM 0 HG3 LYS A 123 8.099 0.010 -8.956 1.00 0.00 H new ATOM 0 HD2 LYS A 123 7.551 -1.045 -11.329 1.00 0.00 H new ATOM 0 HD3 LYS A 123 9.174 -0.516 -11.725 1.00 0.00 H new ATOM 0 HE2 LYS A 123 9.808 -1.700 -9.437 1.00 0.00 H new ATOM 0 HE3 LYS A 123 8.291 -2.545 -9.674 1.00 0.00 H new ATOM 0 HZ1 LYS A 123 10.134 -3.768 -10.628 1.00 0.00 H new ATOM 0 HZ2 LYS A 123 9.070 -3.274 -11.855 1.00 0.00 H new ATOM 0 HZ3 LYS A 123 10.540 -2.455 -11.625 1.00 0.00 H new ATOM 1946 N GLU A 124 5.671 4.212 -10.469 1.00 0.00 N ATOM 1947 CA GLU A 124 4.847 5.131 -11.245 1.00 0.00 C ATOM 1948 C GLU A 124 5.714 6.044 -12.107 1.00 0.00 C ATOM 1949 O GLU A 124 6.636 6.703 -11.625 1.00 0.00 O ATOM 1950 CB GLU A 124 3.969 5.973 -10.316 1.00 0.00 C ATOM 1951 CG GLU A 124 2.574 6.227 -10.862 1.00 0.00 C ATOM 1952 CD GLU A 124 1.924 7.454 -10.253 1.00 0.00 C ATOM 1953 OE1 GLU A 124 2.365 8.578 -10.570 1.00 0.00 O ATOM 1954 OE2 GLU A 124 0.974 7.290 -9.459 1.00 0.00 O ATOM 0 H GLU A 124 5.279 3.956 -9.563 1.00 0.00 H new ATOM 0 HA GLU A 124 4.208 4.539 -11.901 1.00 0.00 H new ATOM 0 HB2 GLU A 124 3.887 5.470 -9.353 1.00 0.00 H new ATOM 0 HB3 GLU A 124 4.459 6.930 -10.135 1.00 0.00 H new ATOM 0 HG2 GLU A 124 2.628 6.348 -11.944 1.00 0.00 H new ATOM 0 HG3 GLU A 124 1.948 5.356 -10.670 1.00 0.00 H new ATOM 1961 N PRO A 125 5.414 6.084 -13.413 1.00 0.00 N ATOM 1962 CA PRO A 125 6.153 6.911 -14.371 1.00 0.00 C ATOM 1963 C PRO A 125 5.900 8.401 -14.167 1.00 0.00 C ATOM 1964 O PRO A 125 4.993 8.790 -13.432 1.00 0.00 O ATOM 1965 CB PRO A 125 5.608 6.457 -15.727 1.00 0.00 C ATOM 1966 CG PRO A 125 4.247 5.929 -15.431 1.00 0.00 C ATOM 1967 CD PRO A 125 4.328 5.325 -14.056 1.00 0.00 C ATOM 0 HA PRO A 125 7.231 6.789 -14.267 1.00 0.00 H new ATOM 0 HB2 PRO A 125 5.566 7.285 -16.434 1.00 0.00 H new ATOM 0 HB3 PRO A 125 6.242 5.690 -16.172 1.00 0.00 H new ATOM 0 HG2 PRO A 125 3.504 6.725 -15.464 1.00 0.00 H new ATOM 0 HG3 PRO A 125 3.949 5.183 -16.168 1.00 0.00 H new ATOM 0 HD2 PRO A 125 3.388 5.431 -13.514 1.00 0.00 H new ATOM 0 HD3 PRO A 125 4.553 4.259 -14.098 1.00 0.00 H new