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 65 SER OG : rot -139:sc= 1.3 USER MOD Set 1.2: A 74 HIS : no HD1:sc= -0.501 K(o=0.8,f=-6.3!) USER MOD Set 2.1: A 26 HIS : no HD1:sc= -9.33! C(o=-8.3!,f=-9.6!) USER MOD Set 2.2: A 96 THR OG1 : rot -71:sc= 0.986 USER MOD Single : A 24 SER OG : rot 180:sc= 0 USER MOD Single : A 29 TYR OH : rot -14:sc= 0.0582 USER MOD Single : A 33 MET CE :methyl -168:sc= -1.72 (180deg=-2.46) 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 78:sc= 0.981 USER MOD Single : A 67 LYS NZ :NH3+ -166:sc= 0.0246 (180deg=0.00911) USER MOD Single : A 68 TYR OH : rot -106:sc= 0.171 USER MOD Single : A 69 ASN : amide:sc= 0.949 K(o=0.95,f=-0.096) USER MOD Single : A 73 LYS NZ :NH3+ -111:sc= 1.16 (180deg=-0.578) USER MOD Single : A 76 LYS NZ :NH3+ -138:sc= -0.678 (180deg=-0.784) USER MOD Single : A 78 MET CE :methyl 180:sc= 0 (180deg=0) 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= -0.0667 USER MOD Single : A 89 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 90 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 102 TYR OH : rot 80:sc= -0.818 USER MOD Single : A 103 GLN : amide:sc= -2.98! K(o=-3!,f=-0.74) USER MOD Single : A 104 GLN : amide:sc= -0.867 K(o=-0.87,f=-1.5!) USER MOD Single : A 105 ASN : amide:sc= -10.8! C(o=-11!,f=-11!) USER MOD Single : A 106 SER OG : rot -141:sc= 0.134 USER MOD Single : A 108 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 110 CYS SG : rot 145:sc= -0.757 USER MOD Single : A 112 LYS NZ :NH3+ -125:sc= -0.0154 (180deg=-0.192) USER MOD Single : A 113 SER OG : rot 180:sc= 0 USER MOD Single : A 116 THR OG1 : rot 90:sc= 0.454 USER MOD Single : A 117 THR OG1 : rot 180:sc= 0 USER MOD Single : A 119 GLN : amide:sc= -2.71! C(o=-2.7!,f=-3.8!) USER MOD Single : A 123 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD ----------------------------------------------------------------- ATOM 296 N LEU A 23 3.078 -10.567 -9.392 1.00 0.00 N ATOM 297 CA LEU A 23 3.056 -9.328 -8.622 1.00 0.00 C ATOM 298 C LEU A 23 4.051 -8.319 -9.185 1.00 0.00 C ATOM 299 O LEU A 23 3.907 -7.113 -8.985 1.00 0.00 O ATOM 300 CB LEU A 23 3.376 -9.612 -7.153 1.00 0.00 C ATOM 301 CG LEU A 23 2.548 -10.711 -6.486 1.00 0.00 C ATOM 302 CD1 LEU A 23 3.045 -10.969 -5.072 1.00 0.00 C ATOM 303 CD2 LEU A 23 1.074 -10.335 -6.474 1.00 0.00 C ATOM 0 HA LEU A 23 2.055 -8.902 -8.694 1.00 0.00 H new ATOM 0 HB2 LEU A 23 4.429 -9.882 -7.077 1.00 0.00 H new ATOM 0 HB3 LEU A 23 3.241 -8.690 -6.588 1.00 0.00 H new ATOM 0 HG LEU A 23 2.664 -11.628 -7.064 1.00 0.00 H new ATOM 0 HD11 LEU A 23 2.444 -11.754 -4.613 1.00 0.00 H new ATOM 0 HD12 LEU A 23 4.088 -11.283 -5.105 1.00 0.00 H new ATOM 0 HD13 LEU A 23 2.959 -10.055 -4.484 1.00 0.00 H new ATOM 0 HD21 LEU A 23 0.500 -11.129 -5.996 1.00 0.00 H new ATOM 0 HD22 LEU A 23 0.940 -9.406 -5.920 1.00 0.00 H new ATOM 0 HD23 LEU A 23 0.724 -10.201 -7.498 1.00 0.00 H new ATOM 315 N SER A 24 5.059 -8.820 -9.892 1.00 0.00 N ATOM 316 CA SER A 24 6.079 -7.962 -10.484 1.00 0.00 C ATOM 317 C SER A 24 5.452 -6.958 -11.447 1.00 0.00 C ATOM 318 O SER A 24 5.897 -5.815 -11.546 1.00 0.00 O ATOM 319 CB SER A 24 7.123 -8.807 -11.217 1.00 0.00 C ATOM 320 OG SER A 24 6.519 -9.607 -12.219 1.00 0.00 O ATOM 0 H SER A 24 5.191 -9.816 -10.069 1.00 0.00 H new ATOM 0 HA SER A 24 6.567 -7.411 -9.680 1.00 0.00 H new ATOM 0 HB2 SER A 24 7.871 -8.155 -11.669 1.00 0.00 H new ATOM 0 HB3 SER A 24 7.645 -9.445 -10.504 1.00 0.00 H new ATOM 0 HG SER A 24 7.207 -10.136 -12.674 1.00 0.00 H new ATOM 326 N VAL A 25 4.417 -7.395 -12.156 1.00 0.00 N ATOM 327 CA VAL A 25 3.727 -6.536 -13.111 1.00 0.00 C ATOM 328 C VAL A 25 3.244 -5.252 -12.446 1.00 0.00 C ATOM 329 O VAL A 25 2.982 -4.253 -13.118 1.00 0.00 O ATOM 330 CB VAL A 25 2.523 -7.256 -13.747 1.00 0.00 C ATOM 331 CG1 VAL A 25 2.955 -8.578 -14.363 1.00 0.00 C ATOM 332 CG2 VAL A 25 1.427 -7.472 -12.715 1.00 0.00 C ATOM 0 H VAL A 25 4.037 -8.339 -12.087 1.00 0.00 H new ATOM 0 HA VAL A 25 4.447 -6.289 -13.892 1.00 0.00 H new ATOM 0 HB VAL A 25 2.123 -6.626 -14.542 1.00 0.00 H new ATOM 0 HG11 VAL A 25 2.091 -9.072 -14.807 1.00 0.00 H new ATOM 0 HG12 VAL A 25 3.703 -8.393 -15.134 1.00 0.00 H new ATOM 0 HG13 VAL A 25 3.381 -9.218 -13.590 1.00 0.00 H new ATOM 0 HG21 VAL A 25 0.584 -7.982 -13.181 1.00 0.00 H new ATOM 0 HG22 VAL A 25 1.812 -8.081 -11.897 1.00 0.00 H new ATOM 0 HG23 VAL A 25 1.098 -6.508 -12.326 1.00 0.00 H new ATOM 342 N HIS A 26 3.130 -5.284 -11.123 1.00 0.00 N ATOM 343 CA HIS A 26 2.679 -4.122 -10.365 1.00 0.00 C ATOM 344 C HIS A 26 3.787 -3.077 -10.264 1.00 0.00 C ATOM 345 O HIS A 26 4.966 -3.389 -10.434 1.00 0.00 O ATOM 346 CB HIS A 26 2.228 -4.541 -8.966 1.00 0.00 C ATOM 347 CG HIS A 26 1.213 -5.643 -8.969 1.00 0.00 C ATOM 348 ND1 HIS A 26 0.146 -5.680 -9.841 1.00 0.00 N ATOM 349 CD2 HIS A 26 1.108 -6.752 -8.200 1.00 0.00 C ATOM 350 CE1 HIS A 26 -0.573 -6.763 -9.608 1.00 0.00 C ATOM 351 NE2 HIS A 26 -0.010 -7.431 -8.617 1.00 0.00 N ATOM 0 H HIS A 26 3.344 -6.102 -10.553 1.00 0.00 H new ATOM 0 HA HIS A 26 1.833 -3.681 -10.893 1.00 0.00 H new ATOM 0 HB2 HIS A 26 3.098 -4.861 -8.393 1.00 0.00 H new ATOM 0 HB3 HIS A 26 1.810 -3.675 -8.453 1.00 0.00 H new ATOM 0 HD2 HIS A 26 1.778 -7.048 -7.407 1.00 0.00 H new ATOM 0 HE1 HIS A 26 -1.469 -7.053 -10.137 1.00 0.00 H new ATOM 0 HE2 HIS A 26 -0.351 -8.309 -8.225 1.00 0.00 H new ATOM 359 N LEU A 27 3.399 -1.837 -9.987 1.00 0.00 N ATOM 360 CA LEU A 27 4.359 -0.745 -9.863 1.00 0.00 C ATOM 361 C LEU A 27 4.893 -0.648 -8.438 1.00 0.00 C ATOM 362 O LEU A 27 6.045 -0.274 -8.220 1.00 0.00 O ATOM 363 CB LEU A 27 3.710 0.579 -10.269 1.00 0.00 C ATOM 364 CG LEU A 27 3.531 0.807 -11.770 1.00 0.00 C ATOM 365 CD1 LEU A 27 2.830 2.131 -12.029 1.00 0.00 C ATOM 366 CD2 LEU A 27 4.876 0.766 -12.480 1.00 0.00 C ATOM 0 H LEU A 27 2.427 -1.562 -9.844 1.00 0.00 H new ATOM 0 HA LEU A 27 5.196 -0.952 -10.530 1.00 0.00 H new ATOM 0 HB2 LEU A 27 2.731 0.642 -9.793 1.00 0.00 H new ATOM 0 HB3 LEU A 27 4.312 1.394 -9.867 1.00 0.00 H new ATOM 0 HG LEU A 27 2.908 0.006 -12.168 1.00 0.00 H new ATOM 0 HD11 LEU A 27 2.711 2.276 -13.103 1.00 0.00 H new ATOM 0 HD12 LEU A 27 1.849 2.123 -11.553 1.00 0.00 H new ATOM 0 HD13 LEU A 27 3.426 2.945 -11.617 1.00 0.00 H new ATOM 0 HD21 LEU A 27 4.729 0.930 -13.548 1.00 0.00 H new ATOM 0 HD22 LEU A 27 5.523 1.546 -12.079 1.00 0.00 H new ATOM 0 HD23 LEU A 27 5.341 -0.207 -12.323 1.00 0.00 H new ATOM 378 N TRP A 28 4.048 -0.989 -7.471 1.00 0.00 N ATOM 379 CA TRP A 28 4.436 -0.942 -6.066 1.00 0.00 C ATOM 380 C TRP A 28 5.208 -2.196 -5.672 1.00 0.00 C ATOM 381 O TRP A 28 5.436 -2.449 -4.489 1.00 0.00 O ATOM 382 CB TRP A 28 3.199 -0.790 -5.179 1.00 0.00 C ATOM 383 CG TRP A 28 2.002 -1.529 -5.697 1.00 0.00 C ATOM 384 CD1 TRP A 28 0.917 -0.992 -6.328 1.00 0.00 C ATOM 385 CD2 TRP A 28 1.770 -2.940 -5.626 1.00 0.00 C ATOM 386 NE1 TRP A 28 0.024 -1.985 -6.654 1.00 0.00 N ATOM 387 CE2 TRP A 28 0.524 -3.189 -6.234 1.00 0.00 C ATOM 388 CE3 TRP A 28 2.494 -4.018 -5.109 1.00 0.00 C ATOM 389 CZ2 TRP A 28 -0.011 -4.470 -6.338 1.00 0.00 C ATOM 390 CZ3 TRP A 28 1.962 -5.289 -5.213 1.00 0.00 C ATOM 391 CH2 TRP A 28 0.720 -5.507 -5.823 1.00 0.00 C ATOM 0 H TRP A 28 3.091 -1.301 -7.634 1.00 0.00 H new ATOM 0 HA TRP A 28 5.086 -0.078 -5.923 1.00 0.00 H new ATOM 0 HB2 TRP A 28 3.433 -1.149 -4.177 1.00 0.00 H new ATOM 0 HB3 TRP A 28 2.953 0.268 -5.089 1.00 0.00 H new ATOM 0 HD1 TRP A 28 0.780 0.058 -6.540 1.00 0.00 H new ATOM 0 HE1 TRP A 28 -0.867 -1.847 -7.131 1.00 0.00 H new ATOM 0 HE3 TRP A 28 3.452 -3.860 -4.637 1.00 0.00 H new ATOM 0 HZ2 TRP A 28 -0.968 -4.640 -6.808 1.00 0.00 H new ATOM 0 HZ3 TRP A 28 2.513 -6.129 -4.817 1.00 0.00 H new ATOM 0 HH2 TRP A 28 0.331 -6.513 -5.888 1.00 0.00 H new ATOM 402 N TYR A 29 5.608 -2.977 -6.669 1.00 0.00 N ATOM 403 CA TYR A 29 6.353 -4.206 -6.426 1.00 0.00 C ATOM 404 C TYR A 29 7.813 -4.049 -6.838 1.00 0.00 C ATOM 405 O TYR A 29 8.166 -4.237 -8.002 1.00 0.00 O ATOM 406 CB TYR A 29 5.719 -5.371 -7.188 1.00 0.00 C ATOM 407 CG TYR A 29 6.035 -6.726 -6.596 1.00 0.00 C ATOM 408 CD1 TYR A 29 5.258 -7.257 -5.574 1.00 0.00 C ATOM 409 CD2 TYR A 29 7.111 -7.474 -7.058 1.00 0.00 C ATOM 410 CE1 TYR A 29 5.543 -8.494 -5.030 1.00 0.00 C ATOM 411 CE2 TYR A 29 7.403 -8.712 -6.520 1.00 0.00 C ATOM 412 CZ TYR A 29 6.616 -9.218 -5.506 1.00 0.00 C ATOM 413 OH TYR A 29 6.904 -10.451 -4.967 1.00 0.00 O ATOM 0 H TYR A 29 5.429 -2.781 -7.654 1.00 0.00 H new ATOM 0 HA TYR A 29 6.317 -4.417 -5.357 1.00 0.00 H new ATOM 0 HB2 TYR A 29 4.638 -5.236 -7.207 1.00 0.00 H new ATOM 0 HB3 TYR A 29 6.062 -5.347 -8.222 1.00 0.00 H new ATOM 0 HD1 TYR A 29 4.417 -6.693 -5.199 1.00 0.00 H new ATOM 0 HD2 TYR A 29 7.729 -7.081 -7.851 1.00 0.00 H new ATOM 0 HE1 TYR A 29 4.929 -8.892 -4.236 1.00 0.00 H new ATOM 0 HE2 TYR A 29 8.243 -9.281 -6.891 1.00 0.00 H new ATOM 0 HH TYR A 29 6.409 -10.565 -4.129 1.00 0.00 H new ATOM 423 N ALA A 30 8.659 -3.703 -5.873 1.00 0.00 N ATOM 424 CA ALA A 30 10.082 -3.522 -6.133 1.00 0.00 C ATOM 425 C ALA A 30 10.861 -4.798 -5.832 1.00 0.00 C ATOM 426 O ALA A 30 12.028 -4.748 -5.445 1.00 0.00 O ATOM 427 CB ALA A 30 10.626 -2.363 -5.310 1.00 0.00 C ATOM 0 H ALA A 30 8.383 -3.542 -4.904 1.00 0.00 H new ATOM 0 HA ALA A 30 10.207 -3.292 -7.191 1.00 0.00 H new ATOM 0 HB1 ALA A 30 11.690 -2.239 -5.514 1.00 0.00 H new ATOM 0 HB2 ALA A 30 10.097 -1.448 -5.576 1.00 0.00 H new ATOM 0 HB3 ALA A 30 10.482 -2.570 -4.250 1.00 0.00 H new ATOM 433 N GLY A 31 10.207 -5.942 -6.013 1.00 0.00 N ATOM 434 CA GLY A 31 10.855 -7.215 -5.755 1.00 0.00 C ATOM 435 C GLY A 31 11.740 -7.177 -4.525 1.00 0.00 C ATOM 436 O GLY A 31 11.462 -6.471 -3.556 1.00 0.00 O ATOM 0 H GLY A 31 9.241 -6.010 -6.333 1.00 0.00 H new ATOM 0 HA2 GLY A 31 10.096 -7.987 -5.629 1.00 0.00 H new ATOM 0 HA3 GLY A 31 11.454 -7.496 -6.621 1.00 0.00 H new ATOM 440 N PRO A 32 12.834 -7.953 -4.555 1.00 0.00 N ATOM 441 CA PRO A 32 13.785 -8.023 -3.441 1.00 0.00 C ATOM 442 C PRO A 32 14.583 -6.734 -3.278 1.00 0.00 C ATOM 443 O PRO A 32 15.722 -6.637 -3.735 1.00 0.00 O ATOM 444 CB PRO A 32 14.708 -9.178 -3.836 1.00 0.00 C ATOM 445 CG PRO A 32 14.628 -9.237 -5.322 1.00 0.00 C ATOM 446 CD PRO A 32 13.227 -8.820 -5.678 1.00 0.00 C ATOM 0 HA PRO A 32 13.283 -8.168 -2.484 1.00 0.00 H new ATOM 0 HB2 PRO A 32 15.730 -9.000 -3.502 1.00 0.00 H new ATOM 0 HB3 PRO A 32 14.384 -10.116 -3.385 1.00 0.00 H new ATOM 0 HG2 PRO A 32 15.361 -8.572 -5.779 1.00 0.00 H new ATOM 0 HG3 PRO A 32 14.840 -10.243 -5.685 1.00 0.00 H new ATOM 0 HD2 PRO A 32 13.196 -8.286 -6.628 1.00 0.00 H new ATOM 0 HD3 PRO A 32 12.564 -9.680 -5.773 1.00 0.00 H new ATOM 454 N MET A 33 13.979 -5.748 -2.624 1.00 0.00 N ATOM 455 CA MET A 33 14.635 -4.465 -2.400 1.00 0.00 C ATOM 456 C MET A 33 14.960 -4.272 -0.922 1.00 0.00 C ATOM 457 O MET A 33 14.137 -4.559 -0.054 1.00 0.00 O ATOM 458 CB MET A 33 13.748 -3.321 -2.893 1.00 0.00 C ATOM 459 CG MET A 33 14.431 -1.963 -2.855 1.00 0.00 C ATOM 460 SD MET A 33 13.767 -0.818 -4.080 1.00 0.00 S ATOM 461 CE MET A 33 12.262 -0.288 -3.267 1.00 0.00 C ATOM 0 H MET A 33 13.036 -5.813 -2.240 1.00 0.00 H new ATOM 0 HA MET A 33 15.568 -4.459 -2.963 1.00 0.00 H new ATOM 0 HB2 MET A 33 13.432 -3.531 -3.915 1.00 0.00 H new ATOM 0 HB3 MET A 33 12.846 -3.282 -2.282 1.00 0.00 H new ATOM 0 HG2 MET A 33 14.318 -1.531 -1.861 1.00 0.00 H new ATOM 0 HG3 MET A 33 15.500 -2.093 -3.026 1.00 0.00 H new ATOM 0 HE1 MET A 33 11.635 0.252 -3.977 1.00 0.00 H new ATOM 0 HE2 MET A 33 11.722 -1.159 -2.896 1.00 0.00 H new ATOM 0 HE3 MET A 33 12.511 0.367 -2.432 1.00 0.00 H new ATOM 471 N GLU A 34 16.166 -3.785 -0.644 1.00 0.00 N ATOM 472 CA GLU A 34 16.598 -3.555 0.729 1.00 0.00 C ATOM 473 C GLU A 34 15.945 -2.300 1.303 1.00 0.00 C ATOM 474 O GLU A 34 15.774 -1.302 0.603 1.00 0.00 O ATOM 475 CB GLU A 34 18.121 -3.425 0.793 1.00 0.00 C ATOM 476 CG GLU A 34 18.856 -4.711 0.452 1.00 0.00 C ATOM 477 CD GLU A 34 20.258 -4.460 -0.069 1.00 0.00 C ATOM 478 OE1 GLU A 34 20.394 -4.082 -1.251 1.00 0.00 O ATOM 479 OE2 GLU A 34 21.220 -4.643 0.707 1.00 0.00 O ATOM 0 H GLU A 34 16.860 -3.543 -1.351 1.00 0.00 H new ATOM 0 HA GLU A 34 16.288 -4.411 1.328 1.00 0.00 H new ATOM 0 HB2 GLU A 34 18.440 -2.641 0.106 1.00 0.00 H new ATOM 0 HB3 GLU A 34 18.408 -3.107 1.795 1.00 0.00 H new ATOM 0 HG2 GLU A 34 18.910 -5.341 1.340 1.00 0.00 H new ATOM 0 HG3 GLU A 34 18.287 -5.263 -0.297 1.00 0.00 H new ATOM 486 N ARG A 35 15.583 -2.360 2.580 1.00 0.00 N ATOM 487 CA ARG A 35 14.947 -1.230 3.247 1.00 0.00 C ATOM 488 C ARG A 35 15.576 0.087 2.803 1.00 0.00 C ATOM 489 O ARG A 35 14.881 0.997 2.353 1.00 0.00 O ATOM 490 CB ARG A 35 15.063 -1.377 4.766 1.00 0.00 C ATOM 491 CG ARG A 35 14.290 -0.322 5.540 1.00 0.00 C ATOM 492 CD ARG A 35 14.745 -0.249 6.989 1.00 0.00 C ATOM 493 NE ARG A 35 15.929 0.590 7.149 1.00 0.00 N ATOM 494 CZ ARG A 35 16.590 0.717 8.295 1.00 0.00 C ATOM 495 NH1 ARG A 35 16.185 0.062 9.374 1.00 0.00 N ATOM 496 NH2 ARG A 35 17.659 1.500 8.361 1.00 0.00 N ATOM 0 H ARG A 35 15.719 -3.178 3.173 1.00 0.00 H new ATOM 0 HA ARG A 35 13.893 -1.221 2.969 1.00 0.00 H new ATOM 0 HB2 ARG A 35 14.703 -2.364 5.056 1.00 0.00 H new ATOM 0 HB3 ARG A 35 16.114 -1.325 5.048 1.00 0.00 H new ATOM 0 HG2 ARG A 35 14.425 0.650 5.066 1.00 0.00 H new ATOM 0 HG3 ARG A 35 13.225 -0.550 5.503 1.00 0.00 H new ATOM 0 HD2 ARG A 35 13.936 0.145 7.604 1.00 0.00 H new ATOM 0 HD3 ARG A 35 14.961 -1.254 7.352 1.00 0.00 H new ATOM 0 HE ARG A 35 16.267 1.107 6.337 1.00 0.00 H new ATOM 0 HH11 ARG A 35 15.364 -0.541 9.326 1.00 0.00 H new ATOM 0 HH12 ARG A 35 16.694 0.161 10.252 1.00 0.00 H new ATOM 0 HH21 ARG A 35 17.974 2.005 7.532 1.00 0.00 H new ATOM 0 HH22 ARG A 35 18.166 1.597 9.241 1.00 0.00 H new ATOM 510 N ALA A 36 16.895 0.181 2.934 1.00 0.00 N ATOM 511 CA ALA A 36 17.617 1.386 2.545 1.00 0.00 C ATOM 512 C ALA A 36 17.114 1.920 1.208 1.00 0.00 C ATOM 513 O ALA A 36 16.784 3.098 1.083 1.00 0.00 O ATOM 514 CB ALA A 36 19.111 1.107 2.476 1.00 0.00 C ATOM 0 H ALA A 36 17.485 -0.563 3.306 1.00 0.00 H new ATOM 0 HA ALA A 36 17.436 2.149 3.302 1.00 0.00 H new ATOM 0 HB1 ALA A 36 19.638 2.016 2.184 1.00 0.00 H new ATOM 0 HB2 ALA A 36 19.466 0.780 3.453 1.00 0.00 H new ATOM 0 HB3 ALA A 36 19.302 0.325 1.741 1.00 0.00 H new ATOM 520 N GLY A 37 17.060 1.044 0.209 1.00 0.00 N ATOM 521 CA GLY A 37 16.597 1.447 -1.106 1.00 0.00 C ATOM 522 C GLY A 37 15.255 2.150 -1.058 1.00 0.00 C ATOM 523 O GLY A 37 15.069 3.189 -1.691 1.00 0.00 O ATOM 0 H GLY A 37 17.328 0.063 0.287 1.00 0.00 H new ATOM 0 HA2 GLY A 37 17.334 2.109 -1.560 1.00 0.00 H new ATOM 0 HA3 GLY A 37 16.521 0.568 -1.746 1.00 0.00 H new ATOM 527 N ALA A 38 14.317 1.583 -0.307 1.00 0.00 N ATOM 528 CA ALA A 38 12.986 2.162 -0.179 1.00 0.00 C ATOM 529 C ALA A 38 13.041 3.512 0.529 1.00 0.00 C ATOM 530 O ALA A 38 12.285 4.426 0.200 1.00 0.00 O ATOM 531 CB ALA A 38 12.065 1.209 0.568 1.00 0.00 C ATOM 0 H ALA A 38 14.455 0.722 0.223 1.00 0.00 H new ATOM 0 HA ALA A 38 12.588 2.322 -1.181 1.00 0.00 H new ATOM 0 HB1 ALA A 38 11.074 1.655 0.656 1.00 0.00 H new ATOM 0 HB2 ALA A 38 11.993 0.269 0.021 1.00 0.00 H new ATOM 0 HB3 ALA A 38 12.467 1.019 1.563 1.00 0.00 H new ATOM 537 N GLU A 39 13.939 3.629 1.502 1.00 0.00 N ATOM 538 CA GLU A 39 14.090 4.867 2.257 1.00 0.00 C ATOM 539 C GLU A 39 14.762 5.943 1.408 1.00 0.00 C ATOM 540 O GLU A 39 14.607 7.137 1.663 1.00 0.00 O ATOM 541 CB GLU A 39 14.906 4.620 3.527 1.00 0.00 C ATOM 542 CG GLU A 39 14.269 3.618 4.475 1.00 0.00 C ATOM 543 CD GLU A 39 14.716 3.808 5.911 1.00 0.00 C ATOM 544 OE1 GLU A 39 15.896 3.528 6.208 1.00 0.00 O ATOM 545 OE2 GLU A 39 13.884 4.237 6.739 1.00 0.00 O ATOM 0 H GLU A 39 14.573 2.882 1.786 1.00 0.00 H new ATOM 0 HA GLU A 39 13.096 5.216 2.536 1.00 0.00 H new ATOM 0 HB2 GLU A 39 15.898 4.264 3.248 1.00 0.00 H new ATOM 0 HB3 GLU A 39 15.043 5.566 4.050 1.00 0.00 H new ATOM 0 HG2 GLU A 39 13.184 3.711 4.421 1.00 0.00 H new ATOM 0 HG3 GLU A 39 14.519 2.608 4.151 1.00 0.00 H new ATOM 552 N SER A 40 15.511 5.510 0.398 1.00 0.00 N ATOM 553 CA SER A 40 16.211 6.435 -0.485 1.00 0.00 C ATOM 554 C SER A 40 15.392 6.709 -1.743 1.00 0.00 C ATOM 555 O SER A 40 15.551 7.747 -2.387 1.00 0.00 O ATOM 556 CB SER A 40 17.580 5.870 -0.867 1.00 0.00 C ATOM 557 OG SER A 40 18.266 6.746 -1.745 1.00 0.00 O ATOM 0 H SER A 40 15.648 4.525 0.171 1.00 0.00 H new ATOM 0 HA SER A 40 16.350 7.375 0.049 1.00 0.00 H new ATOM 0 HB2 SER A 40 18.175 5.711 0.032 1.00 0.00 H new ATOM 0 HB3 SER A 40 17.456 4.897 -1.343 1.00 0.00 H new ATOM 0 HG SER A 40 19.139 6.363 -1.973 1.00 0.00 H new ATOM 563 N ILE A 41 14.516 5.771 -2.088 1.00 0.00 N ATOM 564 CA ILE A 41 13.672 5.911 -3.267 1.00 0.00 C ATOM 565 C ILE A 41 12.526 6.884 -3.011 1.00 0.00 C ATOM 566 O ILE A 41 12.353 7.863 -3.739 1.00 0.00 O ATOM 567 CB ILE A 41 13.089 4.555 -3.707 1.00 0.00 C ATOM 568 CG1 ILE A 41 14.194 3.660 -4.272 1.00 0.00 C ATOM 569 CG2 ILE A 41 11.988 4.760 -4.736 1.00 0.00 C ATOM 570 CD1 ILE A 41 13.921 2.182 -4.101 1.00 0.00 C ATOM 0 H ILE A 41 14.373 4.906 -1.567 1.00 0.00 H new ATOM 0 HA ILE A 41 14.306 6.301 -4.063 1.00 0.00 H new ATOM 0 HB ILE A 41 12.657 4.062 -2.836 1.00 0.00 H new ATOM 0 HG12 ILE A 41 14.320 3.878 -5.333 1.00 0.00 H new ATOM 0 HG13 ILE A 41 15.136 3.906 -3.782 1.00 0.00 H new ATOM 0 HG21 ILE A 41 11.586 3.792 -5.037 1.00 0.00 H new ATOM 0 HG22 ILE A 41 11.192 5.364 -4.301 1.00 0.00 H new ATOM 0 HG23 ILE A 41 12.396 5.271 -5.608 1.00 0.00 H new ATOM 0 HD11 ILE A 41 14.745 1.608 -4.524 1.00 0.00 H new ATOM 0 HD12 ILE A 41 13.825 1.950 -3.040 1.00 0.00 H new ATOM 0 HD13 ILE A 41 12.996 1.921 -4.615 1.00 0.00 H new ATOM 582 N LEU A 42 11.747 6.611 -1.970 1.00 0.00 N ATOM 583 CA LEU A 42 10.618 7.464 -1.615 1.00 0.00 C ATOM 584 C LEU A 42 11.099 8.799 -1.056 1.00 0.00 C ATOM 585 O LEU A 42 10.338 9.765 -0.988 1.00 0.00 O ATOM 586 CB LEU A 42 9.725 6.761 -0.591 1.00 0.00 C ATOM 587 CG LEU A 42 9.387 5.300 -0.886 1.00 0.00 C ATOM 588 CD1 LEU A 42 8.595 4.693 0.261 1.00 0.00 C ATOM 589 CD2 LEU A 42 8.612 5.184 -2.191 1.00 0.00 C ATOM 0 H LEU A 42 11.876 5.806 -1.357 1.00 0.00 H new ATOM 0 HA LEU A 42 10.041 7.657 -2.519 1.00 0.00 H new ATOM 0 HB2 LEU A 42 10.214 6.811 0.382 1.00 0.00 H new ATOM 0 HB3 LEU A 42 8.792 7.319 -0.508 1.00 0.00 H new ATOM 0 HG LEU A 42 10.320 4.746 -0.990 1.00 0.00 H new ATOM 0 HD11 LEU A 42 8.364 3.653 0.033 1.00 0.00 H new ATOM 0 HD12 LEU A 42 9.185 4.741 1.176 1.00 0.00 H new ATOM 0 HD13 LEU A 42 7.668 5.249 0.397 1.00 0.00 H new ATOM 0 HD21 LEU A 42 8.380 4.137 -2.385 1.00 0.00 H new ATOM 0 HD22 LEU A 42 7.685 5.753 -2.116 1.00 0.00 H new ATOM 0 HD23 LEU A 42 9.215 5.579 -3.009 1.00 0.00 H new ATOM 601 N ALA A 43 12.366 8.847 -0.660 1.00 0.00 N ATOM 602 CA ALA A 43 12.950 10.065 -0.111 1.00 0.00 C ATOM 603 C ALA A 43 12.598 11.276 -0.968 1.00 0.00 C ATOM 604 O ALA A 43 12.085 12.275 -0.466 1.00 0.00 O ATOM 605 CB ALA A 43 14.460 9.920 0.007 1.00 0.00 C ATOM 0 H ALA A 43 13.009 8.056 -0.709 1.00 0.00 H new ATOM 0 HA ALA A 43 12.533 10.223 0.884 1.00 0.00 H new ATOM 0 HB1 ALA A 43 14.883 10.837 0.418 1.00 0.00 H new ATOM 0 HB2 ALA A 43 14.695 9.085 0.666 1.00 0.00 H new ATOM 0 HB3 ALA A 43 14.886 9.735 -0.979 1.00 0.00 H new ATOM 611 N ASN A 44 12.879 11.181 -2.263 1.00 0.00 N ATOM 612 CA ASN A 44 12.593 12.270 -3.190 1.00 0.00 C ATOM 613 C ASN A 44 11.130 12.245 -3.624 1.00 0.00 C ATOM 614 O ASN A 44 10.528 13.290 -3.871 1.00 0.00 O ATOM 615 CB ASN A 44 13.502 12.176 -4.417 1.00 0.00 C ATOM 616 CG ASN A 44 14.947 12.503 -4.091 1.00 0.00 C ATOM 617 OD1 ASN A 44 15.343 13.668 -4.072 1.00 0.00 O ATOM 618 ND2 ASN A 44 15.743 11.471 -3.834 1.00 0.00 N ATOM 0 H ASN A 44 13.305 10.361 -2.695 1.00 0.00 H new ATOM 0 HA ASN A 44 12.785 13.211 -2.675 1.00 0.00 H new ATOM 0 HB2 ASN A 44 13.445 11.170 -4.832 1.00 0.00 H new ATOM 0 HB3 ASN A 44 13.142 12.859 -5.186 1.00 0.00 H new ATOM 0 HD21 ASN A 44 16.726 11.628 -3.610 1.00 0.00 H new ATOM 0 HD22 ASN A 44 15.372 10.521 -3.861 1.00 0.00 H new ATOM 625 N ARG A 45 10.566 11.046 -3.715 1.00 0.00 N ATOM 626 CA ARG A 45 9.175 10.884 -4.120 1.00 0.00 C ATOM 627 C ARG A 45 8.275 11.870 -3.379 1.00 0.00 C ATOM 628 O ARG A 45 8.721 12.571 -2.471 1.00 0.00 O ATOM 629 CB ARG A 45 8.707 9.452 -3.855 1.00 0.00 C ATOM 630 CG ARG A 45 9.423 8.412 -4.701 1.00 0.00 C ATOM 631 CD ARG A 45 8.970 8.466 -6.151 1.00 0.00 C ATOM 632 NE ARG A 45 9.601 9.562 -6.881 1.00 0.00 N ATOM 633 CZ ARG A 45 10.799 9.474 -7.448 1.00 0.00 C ATOM 634 NH1 ARG A 45 11.492 8.346 -7.371 1.00 0.00 N ATOM 635 NH2 ARG A 45 11.306 10.516 -8.095 1.00 0.00 N ATOM 0 H ARG A 45 11.051 10.172 -3.514 1.00 0.00 H new ATOM 0 HA ARG A 45 9.108 11.089 -5.189 1.00 0.00 H new ATOM 0 HB2 ARG A 45 8.859 9.218 -2.801 1.00 0.00 H new ATOM 0 HB3 ARG A 45 7.636 9.388 -4.045 1.00 0.00 H new ATOM 0 HG2 ARG A 45 10.499 8.577 -4.649 1.00 0.00 H new ATOM 0 HG3 ARG A 45 9.233 7.418 -4.296 1.00 0.00 H new ATOM 0 HD2 ARG A 45 9.207 7.521 -6.640 1.00 0.00 H new ATOM 0 HD3 ARG A 45 7.887 8.582 -6.188 1.00 0.00 H new ATOM 0 HE ARG A 45 9.094 10.444 -6.960 1.00 0.00 H new ATOM 0 HH11 ARG A 45 11.105 7.543 -6.875 1.00 0.00 H new ATOM 0 HH12 ARG A 45 12.412 8.282 -7.807 1.00 0.00 H new ATOM 0 HH21 ARG A 45 10.776 11.385 -8.157 1.00 0.00 H new ATOM 0 HH22 ARG A 45 12.226 10.448 -8.530 1.00 0.00 H new ATOM 649 N SER A 46 7.007 11.917 -3.774 1.00 0.00 N ATOM 650 CA SER A 46 6.046 12.819 -3.150 1.00 0.00 C ATOM 651 C SER A 46 5.265 12.106 -2.051 1.00 0.00 C ATOM 652 O SER A 46 4.808 10.977 -2.231 1.00 0.00 O ATOM 653 CB SER A 46 5.080 13.374 -4.200 1.00 0.00 C ATOM 654 OG SER A 46 5.534 14.618 -4.703 1.00 0.00 O ATOM 0 H SER A 46 6.621 11.342 -4.523 1.00 0.00 H new ATOM 0 HA SER A 46 6.598 13.645 -2.701 1.00 0.00 H new ATOM 0 HB2 SER A 46 4.980 12.662 -5.019 1.00 0.00 H new ATOM 0 HB3 SER A 46 4.090 13.495 -3.760 1.00 0.00 H new ATOM 0 HG SER A 46 4.901 14.951 -5.373 1.00 0.00 H new ATOM 660 N ASP A 47 5.116 12.773 -0.912 1.00 0.00 N ATOM 661 CA ASP A 47 4.390 12.205 0.218 1.00 0.00 C ATOM 662 C ASP A 47 3.209 11.366 -0.262 1.00 0.00 C ATOM 663 O ASP A 47 2.352 11.848 -1.002 1.00 0.00 O ATOM 664 CB ASP A 47 3.898 13.316 1.147 1.00 0.00 C ATOM 665 CG ASP A 47 4.993 13.837 2.056 1.00 0.00 C ATOM 666 OD1 ASP A 47 5.956 13.085 2.316 1.00 0.00 O ATOM 667 OD2 ASP A 47 4.887 14.996 2.510 1.00 0.00 O ATOM 0 H ASP A 47 5.488 13.708 -0.747 1.00 0.00 H new ATOM 0 HA ASP A 47 5.073 11.558 0.769 1.00 0.00 H new ATOM 0 HB2 ASP A 47 3.504 14.138 0.549 1.00 0.00 H new ATOM 0 HB3 ASP A 47 3.074 12.940 1.754 1.00 0.00 H new ATOM 672 N GLY A 48 3.171 10.107 0.165 1.00 0.00 N ATOM 673 CA GLY A 48 2.092 9.221 -0.232 1.00 0.00 C ATOM 674 C GLY A 48 2.568 8.091 -1.122 1.00 0.00 C ATOM 675 O GLY A 48 1.899 7.065 -1.248 1.00 0.00 O ATOM 0 H GLY A 48 3.868 9.685 0.779 1.00 0.00 H new ATOM 0 HA2 GLY A 48 1.622 8.804 0.659 1.00 0.00 H new ATOM 0 HA3 GLY A 48 1.329 9.796 -0.756 1.00 0.00 H new ATOM 679 N THR A 49 3.728 8.278 -1.744 1.00 0.00 N ATOM 680 CA THR A 49 4.292 7.267 -2.630 1.00 0.00 C ATOM 681 C THR A 49 4.651 6.001 -1.861 1.00 0.00 C ATOM 682 O THR A 49 5.677 5.945 -1.181 1.00 0.00 O ATOM 683 CB THR A 49 5.549 7.790 -3.351 1.00 0.00 C ATOM 684 OG1 THR A 49 5.281 9.070 -3.935 1.00 0.00 O ATOM 685 CG2 THR A 49 5.996 6.817 -4.432 1.00 0.00 C ATOM 0 H THR A 49 4.295 9.120 -1.650 1.00 0.00 H new ATOM 0 HA THR A 49 3.527 7.034 -3.371 1.00 0.00 H new ATOM 0 HB THR A 49 6.349 7.886 -2.617 1.00 0.00 H new ATOM 0 HG1 THR A 49 5.303 9.759 -3.238 1.00 0.00 H new ATOM 0 HG21 THR A 49 6.885 7.207 -4.928 1.00 0.00 H new ATOM 0 HG22 THR A 49 6.226 5.852 -3.980 1.00 0.00 H new ATOM 0 HG23 THR A 49 5.197 6.694 -5.164 1.00 0.00 H new ATOM 693 N PHE A 50 3.802 4.985 -1.973 1.00 0.00 N ATOM 694 CA PHE A 50 4.031 3.718 -1.287 1.00 0.00 C ATOM 695 C PHE A 50 4.820 2.756 -2.171 1.00 0.00 C ATOM 696 O PHE A 50 4.764 2.835 -3.399 1.00 0.00 O ATOM 697 CB PHE A 50 2.697 3.083 -0.886 1.00 0.00 C ATOM 698 CG PHE A 50 1.920 2.536 -2.049 1.00 0.00 C ATOM 699 CD1 PHE A 50 1.231 3.385 -2.900 1.00 0.00 C ATOM 700 CD2 PHE A 50 1.879 1.172 -2.292 1.00 0.00 C ATOM 701 CE1 PHE A 50 0.515 2.883 -3.971 1.00 0.00 C ATOM 702 CE2 PHE A 50 1.165 0.665 -3.360 1.00 0.00 C ATOM 703 CZ PHE A 50 0.483 1.522 -4.202 1.00 0.00 C ATOM 0 H PHE A 50 2.949 5.014 -2.532 1.00 0.00 H new ATOM 0 HA PHE A 50 4.614 3.920 -0.389 1.00 0.00 H new ATOM 0 HB2 PHE A 50 2.886 2.279 -0.175 1.00 0.00 H new ATOM 0 HB3 PHE A 50 2.090 3.827 -0.371 1.00 0.00 H new ATOM 0 HD1 PHE A 50 1.253 4.450 -2.725 1.00 0.00 H new ATOM 0 HD2 PHE A 50 2.412 0.497 -1.638 1.00 0.00 H new ATOM 0 HE1 PHE A 50 -0.019 3.555 -4.627 1.00 0.00 H new ATOM 0 HE2 PHE A 50 1.140 -0.400 -3.537 1.00 0.00 H new ATOM 0 HZ PHE A 50 -0.074 1.128 -5.039 1.00 0.00 H new ATOM 713 N LEU A 51 5.555 1.849 -1.537 1.00 0.00 N ATOM 714 CA LEU A 51 6.357 0.871 -2.264 1.00 0.00 C ATOM 715 C LEU A 51 6.491 -0.423 -1.467 1.00 0.00 C ATOM 716 O LEU A 51 6.839 -0.404 -0.287 1.00 0.00 O ATOM 717 CB LEU A 51 7.743 1.443 -2.568 1.00 0.00 C ATOM 718 CG LEU A 51 8.831 1.150 -1.534 1.00 0.00 C ATOM 719 CD1 LEU A 51 9.221 -0.319 -1.572 1.00 0.00 C ATOM 720 CD2 LEU A 51 10.046 2.034 -1.775 1.00 0.00 C ATOM 0 H LEU A 51 5.612 1.770 -0.522 1.00 0.00 H new ATOM 0 HA LEU A 51 5.850 0.647 -3.203 1.00 0.00 H new ATOM 0 HB2 LEU A 51 8.071 1.054 -3.532 1.00 0.00 H new ATOM 0 HB3 LEU A 51 7.653 2.524 -2.675 1.00 0.00 H new ATOM 0 HG LEU A 51 8.435 1.373 -0.543 1.00 0.00 H new ATOM 0 HD11 LEU A 51 9.996 -0.509 -0.830 1.00 0.00 H new ATOM 0 HD12 LEU A 51 8.348 -0.933 -1.350 1.00 0.00 H new ATOM 0 HD13 LEU A 51 9.599 -0.570 -2.563 1.00 0.00 H new ATOM 0 HD21 LEU A 51 10.811 1.813 -1.030 1.00 0.00 H new ATOM 0 HD22 LEU A 51 10.444 1.842 -2.772 1.00 0.00 H new ATOM 0 HD23 LEU A 51 9.755 3.082 -1.696 1.00 0.00 H new ATOM 732 N VAL A 52 6.216 -1.546 -2.122 1.00 0.00 N ATOM 733 CA VAL A 52 6.310 -2.850 -1.477 1.00 0.00 C ATOM 734 C VAL A 52 7.655 -3.509 -1.761 1.00 0.00 C ATOM 735 O VAL A 52 8.094 -3.578 -2.909 1.00 0.00 O ATOM 736 CB VAL A 52 5.182 -3.790 -1.943 1.00 0.00 C ATOM 737 CG1 VAL A 52 5.187 -5.075 -1.129 1.00 0.00 C ATOM 738 CG2 VAL A 52 3.833 -3.092 -1.844 1.00 0.00 C ATOM 0 H VAL A 52 5.926 -1.579 -3.099 1.00 0.00 H new ATOM 0 HA VAL A 52 6.211 -2.680 -0.405 1.00 0.00 H new ATOM 0 HB VAL A 52 5.356 -4.049 -2.987 1.00 0.00 H new ATOM 0 HG11 VAL A 52 4.383 -5.726 -1.472 1.00 0.00 H new ATOM 0 HG12 VAL A 52 6.144 -5.582 -1.255 1.00 0.00 H new ATOM 0 HG13 VAL A 52 5.037 -4.839 -0.075 1.00 0.00 H new ATOM 0 HG21 VAL A 52 3.047 -3.770 -2.177 1.00 0.00 H new ATOM 0 HG22 VAL A 52 3.648 -2.803 -0.810 1.00 0.00 H new ATOM 0 HG23 VAL A 52 3.836 -2.203 -2.475 1.00 0.00 H new ATOM 748 N ARG A 53 8.306 -3.992 -0.708 1.00 0.00 N ATOM 749 CA ARG A 53 9.602 -4.646 -0.844 1.00 0.00 C ATOM 750 C ARG A 53 9.631 -5.962 -0.072 1.00 0.00 C ATOM 751 O ARG A 53 8.923 -6.125 0.921 1.00 0.00 O ATOM 752 CB ARG A 53 10.716 -3.724 -0.344 1.00 0.00 C ATOM 753 CG ARG A 53 10.693 -3.500 1.159 1.00 0.00 C ATOM 754 CD ARG A 53 11.622 -2.368 1.568 1.00 0.00 C ATOM 755 NE ARG A 53 11.582 -2.120 3.007 1.00 0.00 N ATOM 756 CZ ARG A 53 12.178 -2.898 3.904 1.00 0.00 C ATOM 757 NH1 ARG A 53 12.856 -3.967 3.512 1.00 0.00 N ATOM 758 NH2 ARG A 53 12.096 -2.605 5.195 1.00 0.00 N ATOM 0 H ARG A 53 7.957 -3.943 0.249 1.00 0.00 H new ATOM 0 HA ARG A 53 9.764 -4.861 -1.900 1.00 0.00 H new ATOM 0 HB2 ARG A 53 11.680 -4.148 -0.625 1.00 0.00 H new ATOM 0 HB3 ARG A 53 10.632 -2.761 -0.848 1.00 0.00 H new ATOM 0 HG2 ARG A 53 9.676 -3.271 1.478 1.00 0.00 H new ATOM 0 HG3 ARG A 53 10.988 -4.417 1.669 1.00 0.00 H new ATOM 0 HD2 ARG A 53 12.642 -2.611 1.270 1.00 0.00 H new ATOM 0 HD3 ARG A 53 11.342 -1.459 1.036 1.00 0.00 H new ATOM 0 HE ARG A 53 11.068 -1.305 3.342 1.00 0.00 H new ATOM 0 HH11 ARG A 53 12.921 -4.194 2.520 1.00 0.00 H new ATOM 0 HH12 ARG A 53 13.313 -4.563 4.203 1.00 0.00 H new ATOM 0 HH21 ARG A 53 11.575 -1.782 5.499 1.00 0.00 H new ATOM 0 HH22 ARG A 53 12.554 -3.202 5.884 1.00 0.00 H new ATOM 898 N PHE A 62 6.760 -9.797 3.372 1.00 0.00 N ATOM 899 CA PHE A 62 6.602 -8.598 2.557 1.00 0.00 C ATOM 900 C PHE A 62 6.386 -7.369 3.435 1.00 0.00 C ATOM 901 O PHE A 62 6.065 -7.485 4.617 1.00 0.00 O ATOM 902 CB PHE A 62 5.425 -8.763 1.593 1.00 0.00 C ATOM 903 CG PHE A 62 5.723 -9.671 0.434 1.00 0.00 C ATOM 904 CD1 PHE A 62 5.821 -11.040 0.618 1.00 0.00 C ATOM 905 CD2 PHE A 62 5.903 -9.154 -0.839 1.00 0.00 C ATOM 906 CE1 PHE A 62 6.095 -11.878 -0.447 1.00 0.00 C ATOM 907 CE2 PHE A 62 6.177 -9.987 -1.908 1.00 0.00 C ATOM 908 CZ PHE A 62 6.272 -11.351 -1.712 1.00 0.00 C ATOM 0 HA PHE A 62 7.517 -8.456 1.982 1.00 0.00 H new ATOM 0 HB2 PHE A 62 4.569 -9.156 2.141 1.00 0.00 H new ATOM 0 HB3 PHE A 62 5.137 -7.783 1.212 1.00 0.00 H new ATOM 0 HD1 PHE A 62 5.682 -11.458 1.604 1.00 0.00 H new ATOM 0 HD2 PHE A 62 5.828 -8.088 -0.998 1.00 0.00 H new ATOM 0 HE1 PHE A 62 6.171 -12.944 -0.290 1.00 0.00 H new ATOM 0 HE2 PHE A 62 6.317 -9.572 -2.895 1.00 0.00 H new ATOM 0 HZ PHE A 62 6.484 -12.004 -2.546 1.00 0.00 H new ATOM 918 N ALA A 63 6.567 -6.191 2.847 1.00 0.00 N ATOM 919 CA ALA A 63 6.391 -4.939 3.574 1.00 0.00 C ATOM 920 C ALA A 63 6.027 -3.801 2.627 1.00 0.00 C ATOM 921 O ALA A 63 6.402 -3.813 1.455 1.00 0.00 O ATOM 922 CB ALA A 63 7.655 -4.598 4.351 1.00 0.00 C ATOM 0 H ALA A 63 6.835 -6.077 1.870 1.00 0.00 H new ATOM 0 HA ALA A 63 5.569 -5.068 4.278 1.00 0.00 H new ATOM 0 HB1 ALA A 63 7.510 -3.661 4.889 1.00 0.00 H new ATOM 0 HB2 ALA A 63 7.871 -5.395 5.062 1.00 0.00 H new ATOM 0 HB3 ALA A 63 8.490 -4.493 3.659 1.00 0.00 H new ATOM 928 N ILE A 64 5.294 -2.820 3.143 1.00 0.00 N ATOM 929 CA ILE A 64 4.880 -1.674 2.343 1.00 0.00 C ATOM 930 C ILE A 64 5.391 -0.370 2.945 1.00 0.00 C ATOM 931 O ILE A 64 4.885 0.095 3.966 1.00 0.00 O ATOM 932 CB ILE A 64 3.347 -1.602 2.216 1.00 0.00 C ATOM 933 CG1 ILE A 64 2.839 -2.694 1.272 1.00 0.00 C ATOM 934 CG2 ILE A 64 2.921 -0.227 1.722 1.00 0.00 C ATOM 935 CD1 ILE A 64 1.459 -3.204 1.624 1.00 0.00 C ATOM 0 H ILE A 64 4.975 -2.796 4.111 1.00 0.00 H new ATOM 0 HA ILE A 64 5.313 -1.807 1.352 1.00 0.00 H new ATOM 0 HB ILE A 64 2.908 -1.766 3.200 1.00 0.00 H new ATOM 0 HG12 ILE A 64 2.825 -2.305 0.254 1.00 0.00 H new ATOM 0 HG13 ILE A 64 3.540 -3.529 1.285 1.00 0.00 H new ATOM 0 HG21 ILE A 64 1.835 -0.191 1.637 1.00 0.00 H new ATOM 0 HG22 ILE A 64 3.255 0.533 2.428 1.00 0.00 H new ATOM 0 HG23 ILE A 64 3.368 -0.037 0.746 1.00 0.00 H new ATOM 0 HD11 ILE A 64 1.164 -3.975 0.913 1.00 0.00 H new ATOM 0 HD12 ILE A 64 1.472 -3.624 2.630 1.00 0.00 H new ATOM 0 HD13 ILE A 64 0.746 -2.381 1.583 1.00 0.00 H new ATOM 947 N SER A 65 6.396 0.217 2.304 1.00 0.00 N ATOM 948 CA SER A 65 6.978 1.468 2.776 1.00 0.00 C ATOM 949 C SER A 65 6.525 2.640 1.910 1.00 0.00 C ATOM 950 O SER A 65 6.611 2.587 0.683 1.00 0.00 O ATOM 951 CB SER A 65 8.505 1.378 2.774 1.00 0.00 C ATOM 952 OG SER A 65 8.954 0.302 3.579 1.00 0.00 O ATOM 0 H SER A 65 6.825 -0.154 1.456 1.00 0.00 H new ATOM 0 HA SER A 65 6.633 1.638 3.796 1.00 0.00 H new ATOM 0 HB2 SER A 65 8.863 1.246 1.753 1.00 0.00 H new ATOM 0 HB3 SER A 65 8.928 2.313 3.142 1.00 0.00 H new ATOM 0 HG SER A 65 9.746 0.580 4.085 1.00 0.00 H new ATOM 958 N ILE A 66 6.043 3.695 2.558 1.00 0.00 N ATOM 959 CA ILE A 66 5.577 4.879 1.848 1.00 0.00 C ATOM 960 C ILE A 66 6.115 6.153 2.492 1.00 0.00 C ATOM 961 O ILE A 66 6.590 6.135 3.627 1.00 0.00 O ATOM 962 CB ILE A 66 4.039 4.946 1.811 1.00 0.00 C ATOM 963 CG1 ILE A 66 3.517 5.816 2.957 1.00 0.00 C ATOM 964 CG2 ILE A 66 3.447 3.547 1.889 1.00 0.00 C ATOM 965 CD1 ILE A 66 3.952 5.338 4.325 1.00 0.00 C ATOM 0 H ILE A 66 5.965 3.754 3.573 1.00 0.00 H new ATOM 0 HA ILE A 66 5.953 4.803 0.828 1.00 0.00 H new ATOM 0 HB ILE A 66 3.732 5.398 0.868 1.00 0.00 H new ATOM 0 HG12 ILE A 66 3.863 6.840 2.812 1.00 0.00 H new ATOM 0 HG13 ILE A 66 2.428 5.839 2.918 1.00 0.00 H new ATOM 0 HG21 ILE A 66 2.359 3.610 1.862 1.00 0.00 H new ATOM 0 HG22 ILE A 66 3.797 2.956 1.043 1.00 0.00 H new ATOM 0 HG23 ILE A 66 3.760 3.071 2.818 1.00 0.00 H new ATOM 0 HD11 ILE A 66 3.546 6.001 5.088 1.00 0.00 H new ATOM 0 HD12 ILE A 66 3.584 4.326 4.491 1.00 0.00 H new ATOM 0 HD13 ILE A 66 5.040 5.342 4.383 1.00 0.00 H new ATOM 977 N LYS A 67 6.035 7.259 1.759 1.00 0.00 N ATOM 978 CA LYS A 67 6.510 8.544 2.259 1.00 0.00 C ATOM 979 C LYS A 67 5.414 9.263 3.038 1.00 0.00 C ATOM 980 O LYS A 67 4.390 9.652 2.474 1.00 0.00 O ATOM 981 CB LYS A 67 6.985 9.421 1.098 1.00 0.00 C ATOM 982 CG LYS A 67 7.710 10.679 1.544 1.00 0.00 C ATOM 983 CD LYS A 67 9.052 10.355 2.178 1.00 0.00 C ATOM 984 CE LYS A 67 9.579 11.524 2.996 1.00 0.00 C ATOM 985 NZ LYS A 67 10.092 12.621 2.129 1.00 0.00 N ATOM 0 H LYS A 67 5.646 7.291 0.817 1.00 0.00 H new ATOM 0 HA LYS A 67 7.347 8.358 2.932 1.00 0.00 H new ATOM 0 HB2 LYS A 67 7.648 8.837 0.460 1.00 0.00 H new ATOM 0 HB3 LYS A 67 6.125 9.703 0.491 1.00 0.00 H new ATOM 0 HG2 LYS A 67 7.861 11.336 0.687 1.00 0.00 H new ATOM 0 HG3 LYS A 67 7.091 11.223 2.258 1.00 0.00 H new ATOM 0 HD2 LYS A 67 8.951 9.478 2.818 1.00 0.00 H new ATOM 0 HD3 LYS A 67 9.771 10.101 1.400 1.00 0.00 H new ATOM 0 HE2 LYS A 67 8.784 11.908 3.635 1.00 0.00 H new ATOM 0 HE3 LYS A 67 10.377 11.177 3.653 1.00 0.00 H new ATOM 0 HZ1 LYS A 67 10.651 13.284 2.703 1.00 0.00 H new ATOM 0 HZ2 LYS A 67 10.692 12.220 1.380 1.00 0.00 H new ATOM 0 HZ3 LYS A 67 9.292 13.126 1.698 1.00 0.00 H new ATOM 999 N TYR A 68 5.635 9.439 4.336 1.00 0.00 N ATOM 1000 CA TYR A 68 4.666 10.111 5.193 1.00 0.00 C ATOM 1001 C TYR A 68 5.368 10.925 6.276 1.00 0.00 C ATOM 1002 O TYR A 68 6.403 10.517 6.800 1.00 0.00 O ATOM 1003 CB TYR A 68 3.726 9.090 5.835 1.00 0.00 C ATOM 1004 CG TYR A 68 2.414 9.681 6.299 1.00 0.00 C ATOM 1005 CD1 TYR A 68 2.276 10.190 7.585 1.00 0.00 C ATOM 1006 CD2 TYR A 68 1.314 9.731 5.453 1.00 0.00 C ATOM 1007 CE1 TYR A 68 1.079 10.731 8.014 1.00 0.00 C ATOM 1008 CE2 TYR A 68 0.114 10.272 5.873 1.00 0.00 C ATOM 1009 CZ TYR A 68 0.001 10.770 7.154 1.00 0.00 C ATOM 1010 OH TYR A 68 -1.193 11.308 7.577 1.00 0.00 O ATOM 0 H TYR A 68 6.477 9.125 4.818 1.00 0.00 H new ATOM 0 HA TYR A 68 4.083 10.792 4.573 1.00 0.00 H new ATOM 0 HB2 TYR A 68 3.523 8.295 5.118 1.00 0.00 H new ATOM 0 HB3 TYR A 68 4.229 8.631 6.686 1.00 0.00 H new ATOM 0 HD1 TYR A 68 3.118 10.162 8.260 1.00 0.00 H new ATOM 0 HD2 TYR A 68 1.398 9.340 4.450 1.00 0.00 H new ATOM 0 HE1 TYR A 68 0.988 11.121 9.017 1.00 0.00 H new ATOM 0 HE2 TYR A 68 -0.731 10.305 5.201 1.00 0.00 H new ATOM 0 HH TYR A 68 -1.836 10.587 7.744 1.00 0.00 H new ATOM 1020 N ASN A 69 4.795 12.077 6.606 1.00 0.00 N ATOM 1021 CA ASN A 69 5.364 12.949 7.627 1.00 0.00 C ATOM 1022 C ASN A 69 6.841 13.216 7.352 1.00 0.00 C ATOM 1023 O ASN A 69 7.636 13.382 8.278 1.00 0.00 O ATOM 1024 CB ASN A 69 5.197 12.323 9.013 1.00 0.00 C ATOM 1025 CG ASN A 69 5.015 13.365 10.100 1.00 0.00 C ATOM 1026 OD1 ASN A 69 4.023 13.352 10.828 1.00 0.00 O ATOM 1027 ND2 ASN A 69 5.976 14.275 10.214 1.00 0.00 N ATOM 0 H ASN A 69 3.937 12.429 6.181 1.00 0.00 H new ATOM 0 HA ASN A 69 4.829 13.898 7.598 1.00 0.00 H new ATOM 0 HB2 ASN A 69 4.335 11.655 9.006 1.00 0.00 H new ATOM 0 HB3 ASN A 69 6.071 11.713 9.241 1.00 0.00 H new ATOM 0 HD21 ASN A 69 5.909 15.001 10.927 1.00 0.00 H new ATOM 0 HD22 ASN A 69 6.781 14.248 9.588 1.00 0.00 H new ATOM 1034 N VAL A 70 7.201 13.258 6.073 1.00 0.00 N ATOM 1035 CA VAL A 70 8.582 13.506 5.676 1.00 0.00 C ATOM 1036 C VAL A 70 9.495 12.371 6.123 1.00 0.00 C ATOM 1037 O VAL A 70 10.697 12.563 6.305 1.00 0.00 O ATOM 1038 CB VAL A 70 9.104 14.832 6.261 1.00 0.00 C ATOM 1039 CG1 VAL A 70 7.970 15.833 6.412 1.00 0.00 C ATOM 1040 CG2 VAL A 70 9.793 14.589 7.595 1.00 0.00 C ATOM 0 H VAL A 70 6.556 13.124 5.295 1.00 0.00 H new ATOM 0 HA VAL A 70 8.592 13.568 4.588 1.00 0.00 H new ATOM 0 HB VAL A 70 9.836 15.251 5.570 1.00 0.00 H new ATOM 0 HG11 VAL A 70 8.359 16.763 6.827 1.00 0.00 H new ATOM 0 HG12 VAL A 70 7.525 16.029 5.436 1.00 0.00 H new ATOM 0 HG13 VAL A 70 7.212 15.426 7.081 1.00 0.00 H new ATOM 0 HG21 VAL A 70 10.156 15.536 7.995 1.00 0.00 H new ATOM 0 HG22 VAL A 70 9.084 14.147 8.295 1.00 0.00 H new ATOM 0 HG23 VAL A 70 10.633 13.910 7.452 1.00 0.00 H new ATOM 1050 N GLU A 71 8.917 11.186 6.296 1.00 0.00 N ATOM 1051 CA GLU A 71 9.680 10.019 6.722 1.00 0.00 C ATOM 1052 C GLU A 71 9.162 8.753 6.046 1.00 0.00 C ATOM 1053 O GLU A 71 7.959 8.597 5.835 1.00 0.00 O ATOM 1054 CB GLU A 71 9.610 9.864 8.243 1.00 0.00 C ATOM 1055 CG GLU A 71 8.280 10.295 8.838 1.00 0.00 C ATOM 1056 CD GLU A 71 8.305 10.333 10.354 1.00 0.00 C ATOM 1057 OE1 GLU A 71 9.407 10.235 10.933 1.00 0.00 O ATOM 1058 OE2 GLU A 71 7.221 10.462 10.961 1.00 0.00 O ATOM 0 H GLU A 71 7.923 11.009 6.148 1.00 0.00 H new ATOM 0 HA GLU A 71 10.719 10.168 6.426 1.00 0.00 H new ATOM 0 HB2 GLU A 71 9.794 8.821 8.502 1.00 0.00 H new ATOM 0 HB3 GLU A 71 10.409 10.451 8.697 1.00 0.00 H new ATOM 0 HG2 GLU A 71 8.019 11.283 8.458 1.00 0.00 H new ATOM 0 HG3 GLU A 71 7.499 9.610 8.508 1.00 0.00 H new ATOM 1065 N VAL A 72 10.079 7.853 5.707 1.00 0.00 N ATOM 1066 CA VAL A 72 9.715 6.600 5.055 1.00 0.00 C ATOM 1067 C VAL A 72 9.270 5.558 6.075 1.00 0.00 C ATOM 1068 O VAL A 72 10.096 4.880 6.688 1.00 0.00 O ATOM 1069 CB VAL A 72 10.890 6.032 4.237 1.00 0.00 C ATOM 1070 CG1 VAL A 72 10.504 4.707 3.598 1.00 0.00 C ATOM 1071 CG2 VAL A 72 11.336 7.032 3.181 1.00 0.00 C ATOM 0 H VAL A 72 11.079 7.968 5.873 1.00 0.00 H new ATOM 0 HA VAL A 72 8.887 6.822 4.382 1.00 0.00 H new ATOM 0 HB VAL A 72 11.727 5.853 4.912 1.00 0.00 H new ATOM 0 HG11 VAL A 72 11.346 4.321 3.024 1.00 0.00 H new ATOM 0 HG12 VAL A 72 10.237 3.992 4.376 1.00 0.00 H new ATOM 0 HG13 VAL A 72 9.652 4.857 2.935 1.00 0.00 H new ATOM 0 HG21 VAL A 72 12.167 6.614 2.612 1.00 0.00 H new ATOM 0 HG22 VAL A 72 10.506 7.244 2.507 1.00 0.00 H new ATOM 0 HG23 VAL A 72 11.655 7.955 3.666 1.00 0.00 H new ATOM 1081 N LYS A 73 7.959 5.435 6.253 1.00 0.00 N ATOM 1082 CA LYS A 73 7.402 4.474 7.198 1.00 0.00 C ATOM 1083 C LYS A 73 7.310 3.087 6.572 1.00 0.00 C ATOM 1084 O LYS A 73 7.041 2.982 5.376 1.00 0.00 O ATOM 1085 CB LYS A 73 6.016 4.929 7.662 1.00 0.00 C ATOM 1086 CG LYS A 73 5.951 6.401 8.031 1.00 0.00 C ATOM 1087 CD LYS A 73 6.588 6.665 9.385 1.00 0.00 C ATOM 1088 CE LYS A 73 5.892 7.804 10.116 1.00 0.00 C ATOM 1089 NZ LYS A 73 6.375 7.940 11.518 1.00 0.00 N ATOM 0 H LYS A 73 7.262 5.989 5.755 1.00 0.00 H new ATOM 0 HA LYS A 73 8.068 4.421 8.059 1.00 0.00 H new ATOM 0 HB2 LYS A 73 5.293 4.729 6.871 1.00 0.00 H new ATOM 0 HB3 LYS A 73 5.717 4.333 8.524 1.00 0.00 H new ATOM 0 HG2 LYS A 73 6.458 6.991 7.268 1.00 0.00 H new ATOM 0 HG3 LYS A 73 4.911 6.727 8.047 1.00 0.00 H new ATOM 0 HD2 LYS A 73 6.543 5.761 9.992 1.00 0.00 H new ATOM 0 HD3 LYS A 73 7.642 6.907 9.251 1.00 0.00 H new ATOM 0 HE2 LYS A 73 6.064 8.738 9.581 1.00 0.00 H new ATOM 0 HE3 LYS A 73 4.816 7.631 10.118 1.00 0.00 H new ATOM 0 HZ1 LYS A 73 5.617 7.664 12.175 1.00 0.00 H new ATOM 0 HZ2 LYS A 73 7.200 7.323 11.662 1.00 0.00 H new ATOM 0 HZ3 LYS A 73 6.646 8.928 11.698 1.00 0.00 H new ATOM 1103 N HIS A 74 7.531 2.063 7.384 1.00 0.00 N ATOM 1104 CA HIS A 74 7.468 0.695 6.897 1.00 0.00 C ATOM 1105 C HIS A 74 6.197 0.022 7.419 1.00 0.00 C ATOM 1106 O HIS A 74 5.705 0.315 8.509 1.00 0.00 O ATOM 1107 CB HIS A 74 8.740 -0.072 7.266 1.00 0.00 C ATOM 1108 CG HIS A 74 10.016 0.683 6.983 1.00 0.00 C ATOM 1109 ND1 HIS A 74 10.610 0.711 5.733 1.00 0.00 N ATOM 1110 CD2 HIS A 74 10.805 1.438 7.801 1.00 0.00 C ATOM 1111 CE1 HIS A 74 11.706 1.451 5.807 1.00 0.00 C ATOM 1112 NE2 HIS A 74 11.826 1.901 7.089 1.00 0.00 N ATOM 0 H HIS A 74 7.754 2.153 8.375 1.00 0.00 H new ATOM 0 HA HIS A 74 7.416 0.695 5.808 1.00 0.00 H new ATOM 0 HB2 HIS A 74 8.706 -0.323 8.326 1.00 0.00 H new ATOM 0 HB3 HIS A 74 8.757 -1.013 6.716 1.00 0.00 H new ATOM 0 HD2 HIS A 74 10.629 1.627 8.850 1.00 0.00 H new ATOM 0 HE1 HIS A 74 12.386 1.661 4.994 1.00 0.00 H new ATOM 0 HE2 HIS A 74 12.576 2.495 7.442 1.00 0.00 H new ATOM 1120 N ILE A 75 5.674 -0.893 6.611 1.00 0.00 N ATOM 1121 CA ILE A 75 4.464 -1.624 6.967 1.00 0.00 C ATOM 1122 C ILE A 75 4.680 -3.130 6.863 1.00 0.00 C ATOM 1123 O ILE A 75 4.670 -3.696 5.770 1.00 0.00 O ATOM 1124 CB ILE A 75 3.279 -1.223 6.068 1.00 0.00 C ATOM 1125 CG1 ILE A 75 3.123 0.299 6.041 1.00 0.00 C ATOM 1126 CG2 ILE A 75 1.998 -1.884 6.554 1.00 0.00 C ATOM 1127 CD1 ILE A 75 2.335 0.846 7.211 1.00 0.00 C ATOM 0 H ILE A 75 6.069 -1.146 5.705 1.00 0.00 H new ATOM 0 HA ILE A 75 4.231 -1.364 7.999 1.00 0.00 H new ATOM 0 HB ILE A 75 3.479 -1.567 5.053 1.00 0.00 H new ATOM 0 HG12 ILE A 75 4.112 0.757 6.033 1.00 0.00 H new ATOM 0 HG13 ILE A 75 2.630 0.589 5.113 1.00 0.00 H new ATOM 0 HG21 ILE A 75 1.170 -1.591 5.909 1.00 0.00 H new ATOM 0 HG22 ILE A 75 2.114 -2.967 6.526 1.00 0.00 H new ATOM 0 HG23 ILE A 75 1.791 -1.568 7.576 1.00 0.00 H new ATOM 0 HD11 ILE A 75 2.264 1.930 7.127 1.00 0.00 H new ATOM 0 HD12 ILE A 75 1.334 0.416 7.208 1.00 0.00 H new ATOM 0 HD13 ILE A 75 2.839 0.587 8.142 1.00 0.00 H new ATOM 1139 N LYS A 76 4.874 -3.774 8.008 1.00 0.00 N ATOM 1140 CA LYS A 76 5.090 -5.216 8.049 1.00 0.00 C ATOM 1141 C LYS A 76 3.863 -5.964 7.536 1.00 0.00 C ATOM 1142 O LYS A 76 2.761 -5.802 8.062 1.00 0.00 O ATOM 1143 CB LYS A 76 5.414 -5.664 9.475 1.00 0.00 C ATOM 1144 CG LYS A 76 5.190 -7.148 9.713 1.00 0.00 C ATOM 1145 CD LYS A 76 5.774 -7.594 11.042 1.00 0.00 C ATOM 1146 CE LYS A 76 4.842 -7.267 12.199 1.00 0.00 C ATOM 1147 NZ LYS A 76 3.699 -8.218 12.276 1.00 0.00 N ATOM 0 H LYS A 76 4.886 -3.320 8.921 1.00 0.00 H new ATOM 0 HA LYS A 76 5.935 -5.450 7.401 1.00 0.00 H new ATOM 0 HB2 LYS A 76 6.454 -5.422 9.695 1.00 0.00 H new ATOM 0 HB3 LYS A 76 4.800 -5.096 10.174 1.00 0.00 H new ATOM 0 HG2 LYS A 76 4.122 -7.363 9.694 1.00 0.00 H new ATOM 0 HG3 LYS A 76 5.645 -7.720 8.904 1.00 0.00 H new ATOM 0 HD2 LYS A 76 5.961 -8.668 11.016 1.00 0.00 H new ATOM 0 HD3 LYS A 76 6.736 -7.107 11.200 1.00 0.00 H new ATOM 0 HE2 LYS A 76 5.401 -7.294 13.134 1.00 0.00 H new ATOM 0 HE3 LYS A 76 4.463 -6.252 12.084 1.00 0.00 H new ATOM 0 HZ1 LYS A 76 2.825 -7.694 12.483 1.00 0.00 H new ATOM 0 HZ2 LYS A 76 3.599 -8.714 11.368 1.00 0.00 H new ATOM 0 HZ3 LYS A 76 3.874 -8.911 13.032 1.00 0.00 H new ATOM 1161 N ILE A 77 4.062 -6.783 6.509 1.00 0.00 N ATOM 1162 CA ILE A 77 2.972 -7.558 5.929 1.00 0.00 C ATOM 1163 C ILE A 77 2.987 -8.995 6.437 1.00 0.00 C ATOM 1164 O ILE A 77 3.985 -9.702 6.299 1.00 0.00 O ATOM 1165 CB ILE A 77 3.046 -7.568 4.390 1.00 0.00 C ATOM 1166 CG1 ILE A 77 2.949 -6.142 3.844 1.00 0.00 C ATOM 1167 CG2 ILE A 77 1.940 -8.439 3.813 1.00 0.00 C ATOM 1168 CD1 ILE A 77 3.262 -6.039 2.367 1.00 0.00 C ATOM 0 H ILE A 77 4.967 -6.927 6.062 1.00 0.00 H new ATOM 0 HA ILE A 77 2.044 -7.077 6.237 1.00 0.00 H new ATOM 0 HB ILE A 77 4.006 -7.987 4.089 1.00 0.00 H new ATOM 0 HG12 ILE A 77 1.943 -5.761 4.022 1.00 0.00 H new ATOM 0 HG13 ILE A 77 3.635 -5.502 4.398 1.00 0.00 H new ATOM 0 HG21 ILE A 77 2.005 -8.436 2.725 1.00 0.00 H new ATOM 0 HG22 ILE A 77 2.051 -9.459 4.181 1.00 0.00 H new ATOM 0 HG23 ILE A 77 0.970 -8.046 4.119 1.00 0.00 H new ATOM 0 HD11 ILE A 77 3.174 -5.000 2.048 1.00 0.00 H new ATOM 0 HD12 ILE A 77 4.278 -6.390 2.185 1.00 0.00 H new ATOM 0 HD13 ILE A 77 2.560 -6.653 1.803 1.00 0.00 H new ATOM 1180 N MET A 78 1.874 -9.422 7.024 1.00 0.00 N ATOM 1181 CA MET A 78 1.758 -10.777 7.550 1.00 0.00 C ATOM 1182 C MET A 78 1.001 -11.675 6.577 1.00 0.00 C ATOM 1183 O MET A 78 0.033 -11.249 5.946 1.00 0.00 O ATOM 1184 CB MET A 78 1.050 -10.762 8.906 1.00 0.00 C ATOM 1185 CG MET A 78 1.599 -9.721 9.867 1.00 0.00 C ATOM 1186 SD MET A 78 1.454 -10.223 11.592 1.00 0.00 S ATOM 1187 CE MET A 78 -0.206 -9.665 11.969 1.00 0.00 C ATOM 0 H MET A 78 1.039 -8.849 7.147 1.00 0.00 H new ATOM 0 HA MET A 78 2.764 -11.177 7.678 1.00 0.00 H new ATOM 0 HB2 MET A 78 -0.013 -10.576 8.750 1.00 0.00 H new ATOM 0 HB3 MET A 78 1.137 -11.748 9.363 1.00 0.00 H new ATOM 0 HG2 MET A 78 2.647 -9.534 9.634 1.00 0.00 H new ATOM 0 HG3 MET A 78 1.067 -8.781 9.720 1.00 0.00 H new ATOM 0 HE1 MET A 78 -0.444 -9.905 13.005 1.00 0.00 H new ATOM 0 HE2 MET A 78 -0.270 -8.587 11.822 1.00 0.00 H new ATOM 0 HE3 MET A 78 -0.916 -10.163 11.309 1.00 0.00 H new ATOM 1197 N THR A 79 1.447 -12.922 6.459 1.00 0.00 N ATOM 1198 CA THR A 79 0.813 -13.880 5.562 1.00 0.00 C ATOM 1199 C THR A 79 0.269 -15.077 6.333 1.00 0.00 C ATOM 1200 O THR A 79 0.961 -15.655 7.170 1.00 0.00 O ATOM 1201 CB THR A 79 1.796 -14.379 4.487 1.00 0.00 C ATOM 1202 OG1 THR A 79 3.096 -14.562 5.059 1.00 0.00 O ATOM 1203 CG2 THR A 79 1.880 -13.394 3.331 1.00 0.00 C ATOM 0 H THR A 79 2.246 -13.292 6.974 1.00 0.00 H new ATOM 0 HA THR A 79 -0.012 -13.360 5.075 1.00 0.00 H new ATOM 0 HB THR A 79 1.429 -15.332 4.106 1.00 0.00 H new ATOM 0 HG1 THR A 79 3.715 -14.881 4.369 1.00 0.00 H new ATOM 0 HG21 THR A 79 2.580 -13.768 2.584 1.00 0.00 H new ATOM 0 HG22 THR A 79 0.895 -13.279 2.879 1.00 0.00 H new ATOM 0 HG23 THR A 79 2.225 -12.428 3.700 1.00 0.00 H new ATOM 1211 N ALA A 80 -0.976 -15.445 6.044 1.00 0.00 N ATOM 1212 CA ALA A 80 -1.612 -16.576 6.708 1.00 0.00 C ATOM 1213 C ALA A 80 -2.538 -17.322 5.754 1.00 0.00 C ATOM 1214 O ALA A 80 -3.460 -16.738 5.187 1.00 0.00 O ATOM 1215 CB ALA A 80 -2.381 -16.104 7.933 1.00 0.00 C ATOM 0 H ALA A 80 -1.563 -14.976 5.355 1.00 0.00 H new ATOM 0 HA ALA A 80 -0.830 -17.266 7.027 1.00 0.00 H new ATOM 0 HB1 ALA A 80 -2.851 -16.959 8.419 1.00 0.00 H new ATOM 0 HB2 ALA A 80 -1.695 -15.622 8.630 1.00 0.00 H new ATOM 0 HB3 ALA A 80 -3.149 -15.392 7.629 1.00 0.00 H new ATOM 1221 N GLU A 81 -2.285 -18.616 5.583 1.00 0.00 N ATOM 1222 CA GLU A 81 -3.097 -19.441 4.696 1.00 0.00 C ATOM 1223 C GLU A 81 -2.969 -18.974 3.249 1.00 0.00 C ATOM 1224 O GLU A 81 -3.863 -19.193 2.433 1.00 0.00 O ATOM 1225 CB GLU A 81 -4.564 -19.403 5.128 1.00 0.00 C ATOM 1226 CG GLU A 81 -4.757 -19.450 6.634 1.00 0.00 C ATOM 1227 CD GLU A 81 -4.419 -20.806 7.223 1.00 0.00 C ATOM 1228 OE1 GLU A 81 -4.746 -21.828 6.586 1.00 0.00 O ATOM 1229 OE2 GLU A 81 -3.826 -20.843 8.322 1.00 0.00 O ATOM 0 H GLU A 81 -1.525 -19.115 6.046 1.00 0.00 H new ATOM 0 HA GLU A 81 -2.733 -20.466 4.762 1.00 0.00 H new ATOM 0 HB2 GLU A 81 -5.025 -18.495 4.739 1.00 0.00 H new ATOM 0 HB3 GLU A 81 -5.089 -20.245 4.677 1.00 0.00 H new ATOM 0 HG2 GLU A 81 -4.131 -18.689 7.101 1.00 0.00 H new ATOM 0 HG3 GLU A 81 -5.791 -19.202 6.872 1.00 0.00 H new ATOM 1236 N GLY A 82 -1.849 -18.327 2.939 1.00 0.00 N ATOM 1237 CA GLY A 82 -1.624 -17.837 1.591 1.00 0.00 C ATOM 1238 C GLY A 82 -2.130 -16.422 1.397 1.00 0.00 C ATOM 1239 O GLY A 82 -1.848 -15.788 0.379 1.00 0.00 O ATOM 0 H GLY A 82 -1.094 -18.134 3.597 1.00 0.00 H new ATOM 0 HA2 GLY A 82 -0.558 -17.872 1.368 1.00 0.00 H new ATOM 0 HA3 GLY A 82 -2.120 -18.498 0.880 1.00 0.00 H new ATOM 1243 N LEU A 83 -2.882 -15.925 2.373 1.00 0.00 N ATOM 1244 CA LEU A 83 -3.431 -14.575 2.304 1.00 0.00 C ATOM 1245 C LEU A 83 -2.401 -13.544 2.755 1.00 0.00 C ATOM 1246 O LEU A 83 -1.507 -13.849 3.544 1.00 0.00 O ATOM 1247 CB LEU A 83 -4.688 -14.470 3.170 1.00 0.00 C ATOM 1248 CG LEU A 83 -5.853 -15.377 2.775 1.00 0.00 C ATOM 1249 CD1 LEU A 83 -6.641 -15.800 4.005 1.00 0.00 C ATOM 1250 CD2 LEU A 83 -6.760 -14.676 1.774 1.00 0.00 C ATOM 0 H LEU A 83 -3.126 -16.436 3.221 1.00 0.00 H new ATOM 0 HA LEU A 83 -3.693 -14.369 1.266 1.00 0.00 H new ATOM 0 HB2 LEU A 83 -4.414 -14.693 4.201 1.00 0.00 H new ATOM 0 HB3 LEU A 83 -5.035 -13.437 3.148 1.00 0.00 H new ATOM 0 HG LEU A 83 -5.447 -16.272 2.303 1.00 0.00 H new ATOM 0 HD11 LEU A 83 -7.466 -16.445 3.704 1.00 0.00 H new ATOM 0 HD12 LEU A 83 -5.987 -16.342 4.688 1.00 0.00 H new ATOM 0 HD13 LEU A 83 -7.036 -14.916 4.506 1.00 0.00 H new ATOM 0 HD21 LEU A 83 -7.584 -15.337 1.504 1.00 0.00 H new ATOM 0 HD22 LEU A 83 -7.157 -13.764 2.220 1.00 0.00 H new ATOM 0 HD23 LEU A 83 -6.189 -14.424 0.880 1.00 0.00 H new ATOM 1262 N TYR A 84 -2.534 -12.323 2.249 1.00 0.00 N ATOM 1263 CA TYR A 84 -1.615 -11.247 2.600 1.00 0.00 C ATOM 1264 C TYR A 84 -2.339 -10.135 3.352 1.00 0.00 C ATOM 1265 O TYR A 84 -3.326 -9.582 2.865 1.00 0.00 O ATOM 1266 CB TYR A 84 -0.955 -10.681 1.341 1.00 0.00 C ATOM 1267 CG TYR A 84 -0.056 -11.668 0.632 1.00 0.00 C ATOM 1268 CD1 TYR A 84 -0.589 -12.736 -0.080 1.00 0.00 C ATOM 1269 CD2 TYR A 84 1.326 -11.535 0.676 1.00 0.00 C ATOM 1270 CE1 TYR A 84 0.229 -13.641 -0.729 1.00 0.00 C ATOM 1271 CE2 TYR A 84 2.151 -12.434 0.029 1.00 0.00 C ATOM 1272 CZ TYR A 84 1.598 -13.486 -0.672 1.00 0.00 C ATOM 1273 OH TYR A 84 2.417 -14.385 -1.316 1.00 0.00 O ATOM 0 H TYR A 84 -3.269 -12.054 1.595 1.00 0.00 H new ATOM 0 HA TYR A 84 -0.845 -11.660 3.252 1.00 0.00 H new ATOM 0 HB2 TYR A 84 -1.732 -10.350 0.652 1.00 0.00 H new ATOM 0 HB3 TYR A 84 -0.372 -9.801 1.611 1.00 0.00 H new ATOM 0 HD1 TYR A 84 -1.661 -12.861 -0.127 1.00 0.00 H new ATOM 0 HD2 TYR A 84 1.763 -10.714 1.226 1.00 0.00 H new ATOM 0 HE1 TYR A 84 -0.202 -14.465 -1.278 1.00 0.00 H new ATOM 0 HE2 TYR A 84 3.223 -12.314 0.072 1.00 0.00 H new ATOM 0 HH TYR A 84 3.354 -14.132 -1.178 1.00 0.00 H new ATOM 1283 N ARG A 85 -1.841 -9.812 4.541 1.00 0.00 N ATOM 1284 CA ARG A 85 -2.440 -8.766 5.362 1.00 0.00 C ATOM 1285 C ARG A 85 -1.462 -8.286 6.430 1.00 0.00 C ATOM 1286 O ARG A 85 -0.864 -9.091 7.145 1.00 0.00 O ATOM 1287 CB ARG A 85 -3.722 -9.278 6.022 1.00 0.00 C ATOM 1288 CG ARG A 85 -3.574 -10.651 6.655 1.00 0.00 C ATOM 1289 CD ARG A 85 -4.780 -11.001 7.514 1.00 0.00 C ATOM 1290 NE ARG A 85 -4.655 -12.324 8.120 1.00 0.00 N ATOM 1291 CZ ARG A 85 -3.799 -12.608 9.096 1.00 0.00 C ATOM 1292 NH1 ARG A 85 -2.999 -11.665 9.575 1.00 0.00 N ATOM 1293 NH2 ARG A 85 -3.745 -13.835 9.596 1.00 0.00 N ATOM 0 H ARG A 85 -1.024 -10.259 4.957 1.00 0.00 H new ATOM 0 HA ARG A 85 -2.684 -7.925 4.713 1.00 0.00 H new ATOM 0 HB2 ARG A 85 -4.036 -8.567 6.786 1.00 0.00 H new ATOM 0 HB3 ARG A 85 -4.515 -9.315 5.275 1.00 0.00 H new ATOM 0 HG2 ARG A 85 -3.452 -11.402 5.874 1.00 0.00 H new ATOM 0 HG3 ARG A 85 -2.671 -10.676 7.265 1.00 0.00 H new ATOM 0 HD2 ARG A 85 -4.896 -10.253 8.298 1.00 0.00 H new ATOM 0 HD3 ARG A 85 -5.682 -10.966 6.904 1.00 0.00 H new ATOM 0 HE ARG A 85 -5.258 -13.071 7.775 1.00 0.00 H new ATOM 0 HH11 ARG A 85 -3.040 -10.720 9.194 1.00 0.00 H new ATOM 0 HH12 ARG A 85 -2.343 -11.885 10.324 1.00 0.00 H new ATOM 0 HH21 ARG A 85 -4.361 -14.562 9.231 1.00 0.00 H new ATOM 0 HH22 ARG A 85 -3.088 -14.052 10.345 1.00 0.00 H new ATOM 1307 N ILE A 86 -1.304 -6.971 6.532 1.00 0.00 N ATOM 1308 CA ILE A 86 -0.399 -6.384 7.513 1.00 0.00 C ATOM 1309 C ILE A 86 -0.968 -6.500 8.923 1.00 0.00 C ATOM 1310 O ILE A 86 -0.243 -6.367 9.910 1.00 0.00 O ATOM 1311 CB ILE A 86 -0.119 -4.902 7.204 1.00 0.00 C ATOM 1312 CG1 ILE A 86 -1.390 -4.070 7.391 1.00 0.00 C ATOM 1313 CG2 ILE A 86 0.419 -4.747 5.789 1.00 0.00 C ATOM 1314 CD1 ILE A 86 -1.122 -2.647 7.826 1.00 0.00 C ATOM 0 H ILE A 86 -1.791 -6.291 5.947 1.00 0.00 H new ATOM 0 HA ILE A 86 0.536 -6.941 7.454 1.00 0.00 H new ATOM 0 HB ILE A 86 0.637 -4.538 7.900 1.00 0.00 H new ATOM 0 HG12 ILE A 86 -1.947 -4.056 6.454 1.00 0.00 H new ATOM 0 HG13 ILE A 86 -2.026 -4.554 8.132 1.00 0.00 H new ATOM 0 HG21 ILE A 86 0.612 -3.693 5.586 1.00 0.00 H new ATOM 0 HG22 ILE A 86 1.346 -5.311 5.688 1.00 0.00 H new ATOM 0 HG23 ILE A 86 -0.315 -5.125 5.077 1.00 0.00 H new ATOM 0 HD11 ILE A 86 -2.068 -2.117 7.939 1.00 0.00 H new ATOM 0 HD12 ILE A 86 -0.593 -2.651 8.779 1.00 0.00 H new ATOM 0 HD13 ILE A 86 -0.512 -2.146 7.074 1.00 0.00 H new ATOM 1326 N THR A 87 -2.270 -6.751 9.012 1.00 0.00 N ATOM 1327 CA THR A 87 -2.937 -6.885 10.301 1.00 0.00 C ATOM 1328 C THR A 87 -3.987 -7.990 10.264 1.00 0.00 C ATOM 1329 O THR A 87 -4.515 -8.321 9.203 1.00 0.00 O ATOM 1330 CB THR A 87 -3.610 -5.567 10.726 1.00 0.00 C ATOM 1331 OG1 THR A 87 -4.326 -5.755 11.951 1.00 0.00 O ATOM 1332 CG2 THR A 87 -4.562 -5.073 9.647 1.00 0.00 C ATOM 0 H THR A 87 -2.884 -6.866 8.206 1.00 0.00 H new ATOM 0 HA THR A 87 -2.168 -7.142 11.029 1.00 0.00 H new ATOM 0 HB THR A 87 -2.832 -4.818 10.872 1.00 0.00 H new ATOM 0 HG1 THR A 87 -4.750 -4.912 12.215 1.00 0.00 H new ATOM 0 HG21 THR A 87 -5.026 -4.141 9.970 1.00 0.00 H new ATOM 0 HG22 THR A 87 -4.008 -4.902 8.724 1.00 0.00 H new ATOM 0 HG23 THR A 87 -5.335 -5.822 9.473 1.00 0.00 H new ATOM 1340 N GLU A 88 -4.284 -8.556 11.430 1.00 0.00 N ATOM 1341 CA GLU A 88 -5.272 -9.624 11.529 1.00 0.00 C ATOM 1342 C GLU A 88 -6.688 -9.055 11.560 1.00 0.00 C ATOM 1343 O GLU A 88 -7.497 -9.417 12.415 1.00 0.00 O ATOM 1344 CB GLU A 88 -5.021 -10.466 12.782 1.00 0.00 C ATOM 1345 CG GLU A 88 -5.138 -9.679 14.077 1.00 0.00 C ATOM 1346 CD GLU A 88 -4.759 -10.500 15.294 1.00 0.00 C ATOM 1347 OE1 GLU A 88 -3.553 -10.769 15.476 1.00 0.00 O ATOM 1348 OE2 GLU A 88 -5.668 -10.874 16.065 1.00 0.00 O ATOM 0 H GLU A 88 -3.855 -8.293 12.317 1.00 0.00 H new ATOM 0 HA GLU A 88 -5.174 -10.258 10.648 1.00 0.00 H new ATOM 0 HB2 GLU A 88 -5.732 -11.292 12.803 1.00 0.00 H new ATOM 0 HB3 GLU A 88 -4.025 -10.904 12.722 1.00 0.00 H new ATOM 0 HG2 GLU A 88 -4.497 -8.799 14.023 1.00 0.00 H new ATOM 0 HG3 GLU A 88 -6.161 -9.321 14.189 1.00 0.00 H new ATOM 1355 N LYS A 89 -6.980 -8.160 10.623 1.00 0.00 N ATOM 1356 CA LYS A 89 -8.297 -7.539 10.540 1.00 0.00 C ATOM 1357 C LYS A 89 -9.027 -7.978 9.275 1.00 0.00 C ATOM 1358 O LYS A 89 -10.230 -8.236 9.297 1.00 0.00 O ATOM 1359 CB LYS A 89 -8.168 -6.015 10.565 1.00 0.00 C ATOM 1360 CG LYS A 89 -7.813 -5.457 11.933 1.00 0.00 C ATOM 1361 CD LYS A 89 -9.050 -5.004 12.689 1.00 0.00 C ATOM 1362 CE LYS A 89 -9.939 -6.182 13.058 1.00 0.00 C ATOM 1363 NZ LYS A 89 -11.143 -5.750 13.821 1.00 0.00 N ATOM 0 H LYS A 89 -6.322 -7.848 9.909 1.00 0.00 H new ATOM 0 HA LYS A 89 -8.878 -7.862 11.404 1.00 0.00 H new ATOM 0 HB2 LYS A 89 -7.404 -5.712 9.849 1.00 0.00 H new ATOM 0 HB3 LYS A 89 -9.108 -5.574 10.235 1.00 0.00 H new ATOM 0 HG2 LYS A 89 -7.290 -6.218 12.512 1.00 0.00 H new ATOM 0 HG3 LYS A 89 -7.128 -4.617 11.818 1.00 0.00 H new ATOM 0 HD2 LYS A 89 -8.751 -4.474 13.594 1.00 0.00 H new ATOM 0 HD3 LYS A 89 -9.613 -4.299 12.078 1.00 0.00 H new ATOM 0 HE2 LYS A 89 -10.250 -6.700 12.151 1.00 0.00 H new ATOM 0 HE3 LYS A 89 -9.369 -6.895 13.653 1.00 0.00 H new ATOM 0 HZ1 LYS A 89 -11.723 -6.581 14.054 1.00 0.00 H new ATOM 0 HZ2 LYS A 89 -10.847 -5.278 14.699 1.00 0.00 H new ATOM 0 HZ3 LYS A 89 -11.701 -5.089 13.244 1.00 0.00 H new ATOM 1377 N LYS A 90 -8.291 -8.061 8.172 1.00 0.00 N ATOM 1378 CA LYS A 90 -8.866 -8.471 6.896 1.00 0.00 C ATOM 1379 C LYS A 90 -7.787 -9.001 5.957 1.00 0.00 C ATOM 1380 O LYS A 90 -6.849 -8.285 5.607 1.00 0.00 O ATOM 1381 CB LYS A 90 -9.595 -7.296 6.241 1.00 0.00 C ATOM 1382 CG LYS A 90 -10.068 -7.585 4.827 1.00 0.00 C ATOM 1383 CD LYS A 90 -11.448 -8.221 4.820 1.00 0.00 C ATOM 1384 CE LYS A 90 -12.222 -7.860 3.562 1.00 0.00 C ATOM 1385 NZ LYS A 90 -13.547 -8.538 3.512 1.00 0.00 N ATOM 0 H LYS A 90 -7.294 -7.850 8.136 1.00 0.00 H new ATOM 0 HA LYS A 90 -9.580 -9.272 7.089 1.00 0.00 H new ATOM 0 HB2 LYS A 90 -10.454 -7.025 6.854 1.00 0.00 H new ATOM 0 HB3 LYS A 90 -8.931 -6.432 6.223 1.00 0.00 H new ATOM 0 HG2 LYS A 90 -10.090 -6.658 4.253 1.00 0.00 H new ATOM 0 HG3 LYS A 90 -9.358 -8.249 4.333 1.00 0.00 H new ATOM 0 HD2 LYS A 90 -11.351 -9.304 4.890 1.00 0.00 H new ATOM 0 HD3 LYS A 90 -12.005 -7.893 5.698 1.00 0.00 H new ATOM 0 HE2 LYS A 90 -12.365 -6.780 3.521 1.00 0.00 H new ATOM 0 HE3 LYS A 90 -11.638 -8.138 2.684 1.00 0.00 H new ATOM 0 HZ1 LYS A 90 -14.043 -8.266 2.640 1.00 0.00 H new ATOM 0 HZ2 LYS A 90 -13.410 -9.569 3.526 1.00 0.00 H new ATOM 0 HZ3 LYS A 90 -14.114 -8.253 4.336 1.00 0.00 H new ATOM 1399 N ALA A 91 -7.927 -10.259 5.553 1.00 0.00 N ATOM 1400 CA ALA A 91 -6.966 -10.883 4.652 1.00 0.00 C ATOM 1401 C ALA A 91 -7.487 -10.899 3.219 1.00 0.00 C ATOM 1402 O ALA A 91 -8.696 -10.929 2.988 1.00 0.00 O ATOM 1403 CB ALA A 91 -6.648 -12.297 5.116 1.00 0.00 C ATOM 0 H ALA A 91 -8.697 -10.866 5.835 1.00 0.00 H new ATOM 0 HA ALA A 91 -6.051 -10.292 4.671 1.00 0.00 H new ATOM 0 HB1 ALA A 91 -5.929 -12.751 4.434 1.00 0.00 H new ATOM 0 HB2 ALA A 91 -6.225 -12.264 6.120 1.00 0.00 H new ATOM 0 HB3 ALA A 91 -7.562 -12.891 5.127 1.00 0.00 H new ATOM 1409 N PHE A 92 -6.567 -10.879 2.260 1.00 0.00 N ATOM 1410 CA PHE A 92 -6.935 -10.889 0.848 1.00 0.00 C ATOM 1411 C PHE A 92 -6.144 -11.951 0.089 1.00 0.00 C ATOM 1412 O PHE A 92 -5.074 -12.374 0.525 1.00 0.00 O ATOM 1413 CB PHE A 92 -6.691 -9.513 0.226 1.00 0.00 C ATOM 1414 CG PHE A 92 -7.348 -8.391 0.977 1.00 0.00 C ATOM 1415 CD1 PHE A 92 -6.918 -8.046 2.249 1.00 0.00 C ATOM 1416 CD2 PHE A 92 -8.395 -7.680 0.412 1.00 0.00 C ATOM 1417 CE1 PHE A 92 -7.521 -7.014 2.943 1.00 0.00 C ATOM 1418 CE2 PHE A 92 -9.002 -6.647 1.102 1.00 0.00 C ATOM 1419 CZ PHE A 92 -8.563 -6.313 2.368 1.00 0.00 C ATOM 0 H PHE A 92 -5.562 -10.856 2.434 1.00 0.00 H new ATOM 0 HA PHE A 92 -7.996 -11.129 0.775 1.00 0.00 H new ATOM 0 HB2 PHE A 92 -5.618 -9.329 0.180 1.00 0.00 H new ATOM 0 HB3 PHE A 92 -7.058 -9.517 -0.800 1.00 0.00 H new ATOM 0 HD1 PHE A 92 -6.103 -8.590 2.703 1.00 0.00 H new ATOM 0 HD2 PHE A 92 -8.741 -7.936 -0.579 1.00 0.00 H new ATOM 0 HE1 PHE A 92 -7.178 -6.756 3.934 1.00 0.00 H new ATOM 0 HE2 PHE A 92 -9.818 -6.102 0.651 1.00 0.00 H new ATOM 0 HZ PHE A 92 -9.034 -5.505 2.908 1.00 0.00 H new ATOM 1429 N ARG A 93 -6.680 -12.377 -1.051 1.00 0.00 N ATOM 1430 CA ARG A 93 -6.027 -13.389 -1.871 1.00 0.00 C ATOM 1431 C ARG A 93 -4.543 -13.075 -2.043 1.00 0.00 C ATOM 1432 O ARG A 93 -3.691 -13.949 -1.889 1.00 0.00 O ATOM 1433 CB ARG A 93 -6.702 -13.481 -3.240 1.00 0.00 C ATOM 1434 CG ARG A 93 -8.196 -13.749 -3.166 1.00 0.00 C ATOM 1435 CD ARG A 93 -8.496 -15.240 -3.176 1.00 0.00 C ATOM 1436 NE ARG A 93 -8.152 -15.858 -4.454 1.00 0.00 N ATOM 1437 CZ ARG A 93 -7.631 -17.075 -4.564 1.00 0.00 C ATOM 1438 NH1 ARG A 93 -7.394 -17.800 -3.480 1.00 0.00 N ATOM 1439 NH2 ARG A 93 -7.344 -17.569 -5.762 1.00 0.00 N ATOM 0 H ARG A 93 -7.565 -12.036 -1.427 1.00 0.00 H new ATOM 0 HA ARG A 93 -6.121 -14.349 -1.363 1.00 0.00 H new ATOM 0 HB2 ARG A 93 -6.535 -12.550 -3.781 1.00 0.00 H new ATOM 0 HB3 ARG A 93 -6.227 -14.275 -3.817 1.00 0.00 H new ATOM 0 HG2 ARG A 93 -8.603 -13.301 -2.259 1.00 0.00 H new ATOM 0 HG3 ARG A 93 -8.695 -13.271 -4.009 1.00 0.00 H new ATOM 0 HD2 ARG A 93 -7.939 -15.727 -2.376 1.00 0.00 H new ATOM 0 HD3 ARG A 93 -9.555 -15.398 -2.970 1.00 0.00 H new ATOM 0 HE ARG A 93 -8.321 -15.326 -5.308 1.00 0.00 H new ATOM 0 HH11 ARG A 93 -7.612 -17.424 -2.557 1.00 0.00 H new ATOM 0 HH12 ARG A 93 -6.994 -18.734 -3.569 1.00 0.00 H new ATOM 0 HH21 ARG A 93 -7.523 -17.014 -6.599 1.00 0.00 H new ATOM 0 HH22 ARG A 93 -6.944 -18.504 -5.846 1.00 0.00 H new ATOM 1453 N GLY A 94 -4.243 -11.820 -2.364 1.00 0.00 N ATOM 1454 CA GLY A 94 -2.863 -11.414 -2.553 1.00 0.00 C ATOM 1455 C GLY A 94 -2.667 -9.922 -2.364 1.00 0.00 C ATOM 1456 O GLY A 94 -3.618 -9.196 -2.072 1.00 0.00 O ATOM 0 H GLY A 94 -4.930 -11.078 -2.496 1.00 0.00 H new ATOM 0 HA2 GLY A 94 -2.229 -11.953 -1.849 1.00 0.00 H new ATOM 0 HA3 GLY A 94 -2.538 -11.696 -3.555 1.00 0.00 H new ATOM 1460 N LEU A 95 -1.431 -9.464 -2.529 1.00 0.00 N ATOM 1461 CA LEU A 95 -1.112 -8.049 -2.372 1.00 0.00 C ATOM 1462 C LEU A 95 -2.101 -7.180 -3.143 1.00 0.00 C ATOM 1463 O LEU A 95 -2.807 -6.356 -2.560 1.00 0.00 O ATOM 1464 CB LEU A 95 0.312 -7.771 -2.854 1.00 0.00 C ATOM 1465 CG LEU A 95 1.422 -7.974 -1.822 1.00 0.00 C ATOM 1466 CD1 LEU A 95 1.512 -6.775 -0.891 1.00 0.00 C ATOM 1467 CD2 LEU A 95 1.184 -9.251 -1.028 1.00 0.00 C ATOM 0 H LEU A 95 -0.633 -10.052 -2.771 1.00 0.00 H new ATOM 0 HA LEU A 95 -1.186 -7.800 -1.313 1.00 0.00 H new ATOM 0 HB2 LEU A 95 0.517 -8.415 -3.709 1.00 0.00 H new ATOM 0 HB3 LEU A 95 0.359 -6.742 -3.211 1.00 0.00 H new ATOM 0 HG LEU A 95 2.370 -8.069 -2.351 1.00 0.00 H new ATOM 0 HD11 LEU A 95 2.307 -6.938 -0.164 1.00 0.00 H new ATOM 0 HD12 LEU A 95 1.730 -5.879 -1.472 1.00 0.00 H new ATOM 0 HD13 LEU A 95 0.564 -6.648 -0.369 1.00 0.00 H new ATOM 0 HD21 LEU A 95 1.983 -9.380 -0.298 1.00 0.00 H new ATOM 0 HD22 LEU A 95 0.227 -9.185 -0.510 1.00 0.00 H new ATOM 0 HD23 LEU A 95 1.171 -10.104 -1.706 1.00 0.00 H new ATOM 1479 N THR A 96 -2.149 -7.371 -4.458 1.00 0.00 N ATOM 1480 CA THR A 96 -3.051 -6.606 -5.309 1.00 0.00 C ATOM 1481 C THR A 96 -4.341 -6.262 -4.573 1.00 0.00 C ATOM 1482 O THR A 96 -4.716 -5.094 -4.471 1.00 0.00 O ATOM 1483 CB THR A 96 -3.398 -7.377 -6.596 1.00 0.00 C ATOM 1484 OG1 THR A 96 -2.229 -8.027 -7.108 1.00 0.00 O ATOM 1485 CG2 THR A 96 -3.967 -6.440 -7.652 1.00 0.00 C ATOM 0 H THR A 96 -1.573 -8.049 -4.956 1.00 0.00 H new ATOM 0 HA THR A 96 -2.531 -5.686 -5.575 1.00 0.00 H new ATOM 0 HB THR A 96 -4.152 -8.125 -6.353 1.00 0.00 H new ATOM 0 HG1 THR A 96 -1.611 -7.355 -7.466 1.00 0.00 H new ATOM 0 HG21 THR A 96 -4.204 -7.007 -8.552 1.00 0.00 H new ATOM 0 HG22 THR A 96 -4.873 -5.969 -7.270 1.00 0.00 H new ATOM 0 HG23 THR A 96 -3.232 -5.672 -7.891 1.00 0.00 H new ATOM 1493 N GLU A 97 -5.017 -7.286 -4.061 1.00 0.00 N ATOM 1494 CA GLU A 97 -6.265 -7.090 -3.334 1.00 0.00 C ATOM 1495 C GLU A 97 -6.031 -6.293 -2.055 1.00 0.00 C ATOM 1496 O GLU A 97 -6.610 -5.222 -1.862 1.00 0.00 O ATOM 1497 CB GLU A 97 -6.902 -8.440 -2.997 1.00 0.00 C ATOM 1498 CG GLU A 97 -7.562 -9.116 -4.187 1.00 0.00 C ATOM 1499 CD GLU A 97 -8.857 -8.441 -4.598 1.00 0.00 C ATOM 1500 OE1 GLU A 97 -9.681 -8.149 -3.706 1.00 0.00 O ATOM 1501 OE2 GLU A 97 -9.045 -8.205 -5.809 1.00 0.00 O ATOM 0 H GLU A 97 -4.721 -8.259 -4.136 1.00 0.00 H new ATOM 0 HA GLU A 97 -6.943 -6.525 -3.974 1.00 0.00 H new ATOM 0 HB2 GLU A 97 -6.137 -9.102 -2.592 1.00 0.00 H new ATOM 0 HB3 GLU A 97 -7.646 -8.296 -2.213 1.00 0.00 H new ATOM 0 HG2 GLU A 97 -6.872 -9.113 -5.031 1.00 0.00 H new ATOM 0 HG3 GLU A 97 -7.762 -10.159 -3.942 1.00 0.00 H new ATOM 1508 N LEU A 98 -5.180 -6.821 -1.183 1.00 0.00 N ATOM 1509 CA LEU A 98 -4.868 -6.159 0.079 1.00 0.00 C ATOM 1510 C LEU A 98 -4.567 -4.681 -0.141 1.00 0.00 C ATOM 1511 O LEU A 98 -5.280 -3.810 0.358 1.00 0.00 O ATOM 1512 CB LEU A 98 -3.675 -6.840 0.753 1.00 0.00 C ATOM 1513 CG LEU A 98 -3.197 -6.213 2.064 1.00 0.00 C ATOM 1514 CD1 LEU A 98 -2.272 -5.038 1.787 1.00 0.00 C ATOM 1515 CD2 LEU A 98 -4.384 -5.771 2.908 1.00 0.00 C ATOM 0 H LEU A 98 -4.693 -7.706 -1.326 1.00 0.00 H new ATOM 0 HA LEU A 98 -5.740 -6.240 0.729 1.00 0.00 H new ATOM 0 HB2 LEU A 98 -3.937 -7.880 0.945 1.00 0.00 H new ATOM 0 HB3 LEU A 98 -2.841 -6.846 0.051 1.00 0.00 H new ATOM 0 HG LEU A 98 -2.639 -6.965 2.622 1.00 0.00 H new ATOM 0 HD11 LEU A 98 -1.942 -4.604 2.731 1.00 0.00 H new ATOM 0 HD12 LEU A 98 -1.405 -5.382 1.223 1.00 0.00 H new ATOM 0 HD13 LEU A 98 -2.805 -4.284 1.208 1.00 0.00 H new ATOM 0 HD21 LEU A 98 -4.025 -5.327 3.837 1.00 0.00 H new ATOM 0 HD22 LEU A 98 -4.969 -5.035 2.356 1.00 0.00 H new ATOM 0 HD23 LEU A 98 -5.010 -6.634 3.136 1.00 0.00 H new ATOM 1527 N VAL A 99 -3.506 -4.403 -0.893 1.00 0.00 N ATOM 1528 CA VAL A 99 -3.112 -3.030 -1.183 1.00 0.00 C ATOM 1529 C VAL A 99 -4.298 -2.212 -1.682 1.00 0.00 C ATOM 1530 O VAL A 99 -4.478 -1.060 -1.289 1.00 0.00 O ATOM 1531 CB VAL A 99 -1.988 -2.978 -2.234 1.00 0.00 C ATOM 1532 CG1 VAL A 99 -1.702 -1.541 -2.641 1.00 0.00 C ATOM 1533 CG2 VAL A 99 -0.731 -3.650 -1.702 1.00 0.00 C ATOM 0 H VAL A 99 -2.904 -5.112 -1.312 1.00 0.00 H new ATOM 0 HA VAL A 99 -2.746 -2.602 -0.250 1.00 0.00 H new ATOM 0 HB VAL A 99 -2.317 -3.522 -3.119 1.00 0.00 H new ATOM 0 HG11 VAL A 99 -0.905 -1.525 -3.384 1.00 0.00 H new ATOM 0 HG12 VAL A 99 -2.603 -1.097 -3.065 1.00 0.00 H new ATOM 0 HG13 VAL A 99 -1.393 -0.969 -1.766 1.00 0.00 H new ATOM 0 HG21 VAL A 99 0.053 -3.604 -2.457 1.00 0.00 H new ATOM 0 HG22 VAL A 99 -0.397 -3.136 -0.801 1.00 0.00 H new ATOM 0 HG23 VAL A 99 -0.947 -4.692 -1.466 1.00 0.00 H new ATOM 1543 N GLU A 100 -5.103 -2.816 -2.550 1.00 0.00 N ATOM 1544 CA GLU A 100 -6.272 -2.142 -3.104 1.00 0.00 C ATOM 1545 C GLU A 100 -7.220 -1.698 -1.994 1.00 0.00 C ATOM 1546 O GLU A 100 -7.869 -0.656 -2.097 1.00 0.00 O ATOM 1547 CB GLU A 100 -7.006 -3.065 -4.078 1.00 0.00 C ATOM 1548 CG GLU A 100 -6.555 -2.912 -5.521 1.00 0.00 C ATOM 1549 CD GLU A 100 -7.674 -3.162 -6.512 1.00 0.00 C ATOM 1550 OE1 GLU A 100 -8.827 -2.785 -6.215 1.00 0.00 O ATOM 1551 OE2 GLU A 100 -7.397 -3.735 -7.587 1.00 0.00 O ATOM 0 H GLU A 100 -4.968 -3.770 -2.885 1.00 0.00 H new ATOM 0 HA GLU A 100 -5.930 -1.258 -3.641 1.00 0.00 H new ATOM 0 HB2 GLU A 100 -6.857 -4.099 -3.768 1.00 0.00 H new ATOM 0 HB3 GLU A 100 -8.076 -2.865 -4.018 1.00 0.00 H new ATOM 0 HG2 GLU A 100 -6.161 -1.907 -5.670 1.00 0.00 H new ATOM 0 HG3 GLU A 100 -5.738 -3.607 -5.718 1.00 0.00 H new ATOM 1558 N PHE A 101 -7.295 -2.495 -0.934 1.00 0.00 N ATOM 1559 CA PHE A 101 -8.165 -2.186 0.196 1.00 0.00 C ATOM 1560 C PHE A 101 -7.615 -1.011 0.999 1.00 0.00 C ATOM 1561 O PHE A 101 -8.296 -0.003 1.192 1.00 0.00 O ATOM 1562 CB PHE A 101 -8.317 -3.410 1.100 1.00 0.00 C ATOM 1563 CG PHE A 101 -9.448 -3.294 2.081 1.00 0.00 C ATOM 1564 CD1 PHE A 101 -10.755 -3.523 1.683 1.00 0.00 C ATOM 1565 CD2 PHE A 101 -9.204 -2.955 3.403 1.00 0.00 C ATOM 1566 CE1 PHE A 101 -11.798 -3.417 2.583 1.00 0.00 C ATOM 1567 CE2 PHE A 101 -10.243 -2.848 4.308 1.00 0.00 C ATOM 1568 CZ PHE A 101 -11.541 -3.078 3.898 1.00 0.00 C ATOM 0 H PHE A 101 -6.764 -3.360 -0.833 1.00 0.00 H new ATOM 0 HA PHE A 101 -9.144 -1.910 -0.196 1.00 0.00 H new ATOM 0 HB2 PHE A 101 -8.474 -4.293 0.480 1.00 0.00 H new ATOM 0 HB3 PHE A 101 -7.387 -3.566 1.647 1.00 0.00 H new ATOM 0 HD1 PHE A 101 -10.961 -3.788 0.656 1.00 0.00 H new ATOM 0 HD2 PHE A 101 -8.191 -2.773 3.729 1.00 0.00 H new ATOM 0 HE1 PHE A 101 -12.812 -3.599 2.259 1.00 0.00 H new ATOM 0 HE2 PHE A 101 -10.040 -2.585 5.335 1.00 0.00 H new ATOM 0 HZ PHE A 101 -12.354 -2.993 4.604 1.00 0.00 H new ATOM 1578 N TYR A 102 -6.379 -1.148 1.466 1.00 0.00 N ATOM 1579 CA TYR A 102 -5.738 -0.100 2.252 1.00 0.00 C ATOM 1580 C TYR A 102 -5.729 1.222 1.492 1.00 0.00 C ATOM 1581 O TYR A 102 -5.456 2.277 2.064 1.00 0.00 O ATOM 1582 CB TYR A 102 -4.307 -0.505 2.610 1.00 0.00 C ATOM 1583 CG TYR A 102 -4.230 -1.660 3.583 1.00 0.00 C ATOM 1584 CD1 TYR A 102 -5.188 -1.823 4.576 1.00 0.00 C ATOM 1585 CD2 TYR A 102 -3.200 -2.590 3.507 1.00 0.00 C ATOM 1586 CE1 TYR A 102 -5.121 -2.876 5.468 1.00 0.00 C ATOM 1587 CE2 TYR A 102 -3.126 -3.647 4.394 1.00 0.00 C ATOM 1588 CZ TYR A 102 -4.089 -3.786 5.372 1.00 0.00 C ATOM 1589 OH TYR A 102 -4.019 -4.837 6.257 1.00 0.00 O ATOM 0 H TYR A 102 -5.801 -1.974 1.314 1.00 0.00 H new ATOM 0 HA TYR A 102 -6.311 0.033 3.170 1.00 0.00 H new ATOM 0 HB2 TYR A 102 -3.775 -0.774 1.697 1.00 0.00 H new ATOM 0 HB3 TYR A 102 -3.791 0.355 3.038 1.00 0.00 H new ATOM 0 HD1 TYR A 102 -5.999 -1.114 4.652 1.00 0.00 H new ATOM 0 HD2 TYR A 102 -2.445 -2.485 2.742 1.00 0.00 H new ATOM 0 HE1 TYR A 102 -5.872 -2.986 6.236 1.00 0.00 H new ATOM 0 HE2 TYR A 102 -2.319 -4.361 4.322 1.00 0.00 H new ATOM 0 HH TYR A 102 -4.638 -5.543 5.976 1.00 0.00 H new ATOM 1599 N GLN A 103 -6.030 1.156 0.199 1.00 0.00 N ATOM 1600 CA GLN A 103 -6.057 2.348 -0.641 1.00 0.00 C ATOM 1601 C GLN A 103 -7.321 3.163 -0.389 1.00 0.00 C ATOM 1602 O GLN A 103 -7.393 4.340 -0.743 1.00 0.00 O ATOM 1603 CB GLN A 103 -5.973 1.959 -2.118 1.00 0.00 C ATOM 1604 CG GLN A 103 -4.550 1.753 -2.612 1.00 0.00 C ATOM 1605 CD GLN A 103 -4.488 1.427 -4.091 1.00 0.00 C ATOM 1606 OE1 GLN A 103 -4.613 2.310 -4.939 1.00 0.00 O ATOM 1607 NE2 GLN A 103 -4.292 0.152 -4.409 1.00 0.00 N ATOM 0 H GLN A 103 -6.258 0.290 -0.290 1.00 0.00 H new ATOM 0 HA GLN A 103 -5.194 2.962 -0.385 1.00 0.00 H new ATOM 0 HB2 GLN A 103 -6.540 1.042 -2.277 1.00 0.00 H new ATOM 0 HB3 GLN A 103 -6.448 2.735 -2.717 1.00 0.00 H new ATOM 0 HG2 GLN A 103 -3.968 2.654 -2.418 1.00 0.00 H new ATOM 0 HG3 GLN A 103 -4.086 0.945 -2.046 1.00 0.00 H new ATOM 0 HE21 GLN A 103 -4.194 -0.548 -3.673 1.00 0.00 H new ATOM 0 HE22 GLN A 103 -4.240 -0.127 -5.389 1.00 0.00 H new ATOM 1616 N GLN A 104 -8.316 2.530 0.225 1.00 0.00 N ATOM 1617 CA GLN A 104 -9.577 3.197 0.523 1.00 0.00 C ATOM 1618 C GLN A 104 -9.792 3.309 2.029 1.00 0.00 C ATOM 1619 O GLN A 104 -10.711 3.987 2.485 1.00 0.00 O ATOM 1620 CB GLN A 104 -10.743 2.438 -0.115 1.00 0.00 C ATOM 1621 CG GLN A 104 -10.537 0.933 -0.158 1.00 0.00 C ATOM 1622 CD GLN A 104 -11.523 0.235 -1.075 1.00 0.00 C ATOM 1623 OE1 GLN A 104 -12.241 0.881 -1.839 1.00 0.00 O ATOM 1624 NE2 GLN A 104 -11.561 -1.090 -1.005 1.00 0.00 N ATOM 0 H GLN A 104 -8.273 1.556 0.525 1.00 0.00 H new ATOM 0 HA GLN A 104 -9.534 4.203 0.105 1.00 0.00 H new ATOM 0 HB2 GLN A 104 -11.655 2.656 0.441 1.00 0.00 H new ATOM 0 HB3 GLN A 104 -10.893 2.805 -1.130 1.00 0.00 H new ATOM 0 HG2 GLN A 104 -9.522 0.718 -0.492 1.00 0.00 H new ATOM 0 HG3 GLN A 104 -10.634 0.528 0.849 1.00 0.00 H new ATOM 0 HE21 GLN A 104 -10.948 -1.584 -0.357 1.00 0.00 H new ATOM 0 HE22 GLN A 104 -12.204 -1.614 -1.599 1.00 0.00 H new ATOM 1633 N ASN A 105 -8.937 2.639 2.795 1.00 0.00 N ATOM 1634 CA ASN A 105 -9.033 2.663 4.250 1.00 0.00 C ATOM 1635 C ASN A 105 -7.681 2.985 4.879 1.00 0.00 C ATOM 1636 O ASN A 105 -6.643 2.507 4.423 1.00 0.00 O ATOM 1637 CB ASN A 105 -9.543 1.318 4.770 1.00 0.00 C ATOM 1638 CG ASN A 105 -9.226 0.175 3.826 1.00 0.00 C ATOM 1639 OD1 ASN A 105 -8.238 -0.538 4.006 1.00 0.00 O ATOM 1640 ND2 ASN A 105 -10.064 -0.005 2.811 1.00 0.00 N ATOM 0 H ASN A 105 -8.170 2.073 2.432 1.00 0.00 H new ATOM 0 HA ASN A 105 -9.739 3.445 4.530 1.00 0.00 H new ATOM 0 HB2 ASN A 105 -9.097 1.115 5.744 1.00 0.00 H new ATOM 0 HB3 ASN A 105 -10.621 1.374 4.919 1.00 0.00 H new ATOM 0 HD21 ASN A 105 -9.901 -0.758 2.143 1.00 0.00 H new ATOM 0 HD22 ASN A 105 -10.870 0.610 2.700 1.00 0.00 H new ATOM 1647 N SER A 106 -7.703 3.799 5.930 1.00 0.00 N ATOM 1648 CA SER A 106 -6.479 4.188 6.621 1.00 0.00 C ATOM 1649 C SER A 106 -5.714 2.959 7.105 1.00 0.00 C ATOM 1650 O SER A 106 -6.307 1.918 7.393 1.00 0.00 O ATOM 1651 CB SER A 106 -6.804 5.099 7.806 1.00 0.00 C ATOM 1652 OG SER A 106 -7.108 6.413 7.371 1.00 0.00 O ATOM 0 H SER A 106 -8.555 4.202 6.321 1.00 0.00 H new ATOM 0 HA SER A 106 -5.851 4.732 5.916 1.00 0.00 H new ATOM 0 HB2 SER A 106 -7.649 4.692 8.361 1.00 0.00 H new ATOM 0 HB3 SER A 106 -5.956 5.126 8.491 1.00 0.00 H new ATOM 0 HG SER A 106 -6.720 7.062 7.995 1.00 0.00 H new ATOM 1658 N LEU A 107 -4.395 3.088 7.192 1.00 0.00 N ATOM 1659 CA LEU A 107 -3.547 1.989 7.641 1.00 0.00 C ATOM 1660 C LEU A 107 -3.494 1.929 9.164 1.00 0.00 C ATOM 1661 O LEU A 107 -3.082 0.923 9.743 1.00 0.00 O ATOM 1662 CB LEU A 107 -2.134 2.145 7.076 1.00 0.00 C ATOM 1663 CG LEU A 107 -1.928 1.659 5.641 1.00 0.00 C ATOM 1664 CD1 LEU A 107 -1.686 0.158 5.614 1.00 0.00 C ATOM 1665 CD2 LEU A 107 -3.126 2.024 4.777 1.00 0.00 C ATOM 0 H LEU A 107 -3.889 3.942 6.958 1.00 0.00 H new ATOM 0 HA LEU A 107 -3.978 1.057 7.274 1.00 0.00 H new ATOM 0 HB2 LEU A 107 -1.859 3.199 7.125 1.00 0.00 H new ATOM 0 HB3 LEU A 107 -1.443 1.605 7.724 1.00 0.00 H new ATOM 0 HG LEU A 107 -1.047 2.155 5.233 1.00 0.00 H new ATOM 0 HD11 LEU A 107 -1.542 -0.169 4.584 1.00 0.00 H new ATOM 0 HD12 LEU A 107 -0.796 -0.078 6.198 1.00 0.00 H new ATOM 0 HD13 LEU A 107 -2.547 -0.357 6.041 1.00 0.00 H new ATOM 0 HD21 LEU A 107 -2.962 1.670 3.759 1.00 0.00 H new ATOM 0 HD22 LEU A 107 -4.023 1.557 5.183 1.00 0.00 H new ATOM 0 HD23 LEU A 107 -3.252 3.107 4.769 1.00 0.00 H new ATOM 1677 N LYS A 108 -3.917 3.011 9.808 1.00 0.00 N ATOM 1678 CA LYS A 108 -3.922 3.082 11.265 1.00 0.00 C ATOM 1679 C LYS A 108 -4.411 1.771 11.872 1.00 0.00 C ATOM 1680 O LYS A 108 -3.915 1.333 12.909 1.00 0.00 O ATOM 1681 CB LYS A 108 -4.807 4.237 11.737 1.00 0.00 C ATOM 1682 CG LYS A 108 -6.294 3.937 11.654 1.00 0.00 C ATOM 1683 CD LYS A 108 -7.124 5.062 12.249 1.00 0.00 C ATOM 1684 CE LYS A 108 -8.563 5.012 11.759 1.00 0.00 C ATOM 1685 NZ LYS A 108 -9.393 6.089 12.366 1.00 0.00 N ATOM 0 H LYS A 108 -4.261 3.852 9.344 1.00 0.00 H new ATOM 0 HA LYS A 108 -2.899 3.257 11.599 1.00 0.00 H new ATOM 0 HB2 LYS A 108 -4.551 4.482 12.768 1.00 0.00 H new ATOM 0 HB3 LYS A 108 -4.589 5.120 11.136 1.00 0.00 H new ATOM 0 HG2 LYS A 108 -6.578 3.786 10.613 1.00 0.00 H new ATOM 0 HG3 LYS A 108 -6.509 3.007 12.181 1.00 0.00 H new ATOM 0 HD2 LYS A 108 -7.106 4.993 13.337 1.00 0.00 H new ATOM 0 HD3 LYS A 108 -6.681 6.022 11.983 1.00 0.00 H new ATOM 0 HE2 LYS A 108 -8.581 5.108 10.673 1.00 0.00 H new ATOM 0 HE3 LYS A 108 -8.995 4.041 12.000 1.00 0.00 H new ATOM 0 HZ1 LYS A 108 -10.367 6.021 12.007 1.00 0.00 H new ATOM 0 HZ2 LYS A 108 -9.397 5.983 13.401 1.00 0.00 H new ATOM 0 HZ3 LYS A 108 -8.996 7.017 12.115 1.00 0.00 H new ATOM 1699 N ASP A 109 -5.386 1.149 11.217 1.00 0.00 N ATOM 1700 CA ASP A 109 -5.941 -0.113 11.691 1.00 0.00 C ATOM 1701 C ASP A 109 -4.859 -0.977 12.331 1.00 0.00 C ATOM 1702 O ASP A 109 -5.122 -1.720 13.277 1.00 0.00 O ATOM 1703 CB ASP A 109 -6.600 -0.871 10.537 1.00 0.00 C ATOM 1704 CG ASP A 109 -7.053 -2.260 10.940 1.00 0.00 C ATOM 1705 OD1 ASP A 109 -7.617 -2.403 12.046 1.00 0.00 O ATOM 1706 OD2 ASP A 109 -6.846 -3.204 10.150 1.00 0.00 O ATOM 0 H ASP A 109 -5.808 1.499 10.357 1.00 0.00 H new ATOM 0 HA ASP A 109 -6.695 0.111 12.446 1.00 0.00 H new ATOM 0 HB2 ASP A 109 -7.457 -0.303 10.176 1.00 0.00 H new ATOM 0 HB3 ASP A 109 -5.896 -0.948 9.708 1.00 0.00 H new ATOM 1711 N CYS A 110 -3.642 -0.875 11.807 1.00 0.00 N ATOM 1712 CA CYS A 110 -2.519 -1.648 12.326 1.00 0.00 C ATOM 1713 C CYS A 110 -1.541 -0.750 13.077 1.00 0.00 C ATOM 1714 O CYS A 110 -0.899 -1.180 14.036 1.00 0.00 O ATOM 1715 CB CYS A 110 -1.797 -2.366 11.185 1.00 0.00 C ATOM 1716 SG CYS A 110 -0.657 -3.659 11.730 1.00 0.00 S ATOM 0 H CYS A 110 -3.408 -0.265 11.024 1.00 0.00 H new ATOM 0 HA CYS A 110 -2.911 -2.389 13.022 1.00 0.00 H new ATOM 0 HB2 CYS A 110 -2.540 -2.808 10.521 1.00 0.00 H new ATOM 0 HB3 CYS A 110 -1.243 -1.631 10.600 1.00 0.00 H new ATOM 0 HG CYS A 110 -0.670 -4.638 10.875 1.00 0.00 H new ATOM 1722 N PHE A 111 -1.433 0.498 12.635 1.00 0.00 N ATOM 1723 CA PHE A 111 -0.531 1.457 13.264 1.00 0.00 C ATOM 1724 C PHE A 111 -1.260 2.758 13.586 1.00 0.00 C ATOM 1725 O PHE A 111 -1.155 3.740 12.850 1.00 0.00 O ATOM 1726 CB PHE A 111 0.663 1.740 12.351 1.00 0.00 C ATOM 1727 CG PHE A 111 1.469 0.516 12.020 1.00 0.00 C ATOM 1728 CD1 PHE A 111 2.453 0.064 12.884 1.00 0.00 C ATOM 1729 CD2 PHE A 111 1.240 -0.184 10.846 1.00 0.00 C ATOM 1730 CE1 PHE A 111 3.196 -1.062 12.582 1.00 0.00 C ATOM 1731 CE2 PHE A 111 1.980 -1.311 10.539 1.00 0.00 C ATOM 1732 CZ PHE A 111 2.958 -1.750 11.408 1.00 0.00 C ATOM 0 H PHE A 111 -1.959 0.870 11.844 1.00 0.00 H new ATOM 0 HA PHE A 111 -0.171 1.023 14.197 1.00 0.00 H new ATOM 0 HB2 PHE A 111 0.304 2.190 11.425 1.00 0.00 H new ATOM 0 HB3 PHE A 111 1.311 2.473 12.831 1.00 0.00 H new ATOM 0 HD1 PHE A 111 2.642 0.597 13.804 1.00 0.00 H new ATOM 0 HD2 PHE A 111 0.475 0.155 10.163 1.00 0.00 H new ATOM 0 HE1 PHE A 111 3.962 -1.403 13.263 1.00 0.00 H new ATOM 0 HE2 PHE A 111 1.793 -1.847 9.620 1.00 0.00 H new ATOM 0 HZ PHE A 111 3.537 -2.630 11.171 1.00 0.00 H new ATOM 1742 N LYS A 112 -1.998 2.758 14.690 1.00 0.00 N ATOM 1743 CA LYS A 112 -2.745 3.938 15.112 1.00 0.00 C ATOM 1744 C LYS A 112 -1.909 5.202 14.935 1.00 0.00 C ATOM 1745 O LYS A 112 -2.425 6.248 14.542 1.00 0.00 O ATOM 1746 CB LYS A 112 -3.175 3.798 16.574 1.00 0.00 C ATOM 1747 CG LYS A 112 -2.032 3.955 17.562 1.00 0.00 C ATOM 1748 CD LYS A 112 -1.846 5.405 17.974 1.00 0.00 C ATOM 1749 CE LYS A 112 -1.121 5.518 19.307 1.00 0.00 C ATOM 1750 NZ LYS A 112 0.276 5.006 19.223 1.00 0.00 N ATOM 0 H LYS A 112 -2.095 1.954 15.310 1.00 0.00 H new ATOM 0 HA LYS A 112 -3.633 4.020 14.485 1.00 0.00 H new ATOM 0 HB2 LYS A 112 -3.938 4.545 16.793 1.00 0.00 H new ATOM 0 HB3 LYS A 112 -3.636 2.820 16.716 1.00 0.00 H new ATOM 0 HG2 LYS A 112 -2.228 3.347 18.445 1.00 0.00 H new ATOM 0 HG3 LYS A 112 -1.110 3.582 17.116 1.00 0.00 H new ATOM 0 HD2 LYS A 112 -1.281 5.933 17.206 1.00 0.00 H new ATOM 0 HD3 LYS A 112 -2.819 5.892 18.045 1.00 0.00 H new ATOM 0 HE2 LYS A 112 -1.107 6.560 19.626 1.00 0.00 H new ATOM 0 HE3 LYS A 112 -1.668 4.959 20.067 1.00 0.00 H new ATOM 0 HZ1 LYS A 112 0.422 4.275 19.949 1.00 0.00 H new ATOM 0 HZ2 LYS A 112 0.440 4.596 18.281 1.00 0.00 H new ATOM 0 HZ3 LYS A 112 0.943 5.789 19.381 1.00 0.00 H new ATOM 1764 N SER A 113 -0.617 5.097 15.227 1.00 0.00 N ATOM 1765 CA SER A 113 0.289 6.233 15.102 1.00 0.00 C ATOM 1766 C SER A 113 0.413 6.672 13.646 1.00 0.00 C ATOM 1767 O SER A 113 0.518 7.863 13.352 1.00 0.00 O ATOM 1768 CB SER A 113 1.669 5.875 15.658 1.00 0.00 C ATOM 1769 OG SER A 113 2.509 7.015 15.710 1.00 0.00 O ATOM 0 H SER A 113 -0.174 4.238 15.552 1.00 0.00 H new ATOM 0 HA SER A 113 -0.124 7.061 15.679 1.00 0.00 H new ATOM 0 HB2 SER A 113 1.563 5.451 16.657 1.00 0.00 H new ATOM 0 HB3 SER A 113 2.129 5.109 15.034 1.00 0.00 H new ATOM 0 HG SER A 113 3.384 6.760 16.070 1.00 0.00 H new ATOM 1775 N LEU A 114 0.400 5.701 12.740 1.00 0.00 N ATOM 1776 CA LEU A 114 0.511 5.985 11.313 1.00 0.00 C ATOM 1777 C LEU A 114 -0.860 5.963 10.645 1.00 0.00 C ATOM 1778 O LEU A 114 -1.365 4.903 10.277 1.00 0.00 O ATOM 1779 CB LEU A 114 1.435 4.968 10.641 1.00 0.00 C ATOM 1780 CG LEU A 114 1.557 5.075 9.120 1.00 0.00 C ATOM 1781 CD1 LEU A 114 1.953 6.486 8.714 1.00 0.00 C ATOM 1782 CD2 LEU A 114 2.566 4.064 8.594 1.00 0.00 C ATOM 0 H LEU A 114 0.314 4.710 12.967 1.00 0.00 H new ATOM 0 HA LEU A 114 0.934 6.983 11.198 1.00 0.00 H new ATOM 0 HB2 LEU A 114 2.430 5.070 11.073 1.00 0.00 H new ATOM 0 HB3 LEU A 114 1.081 3.967 10.888 1.00 0.00 H new ATOM 0 HG LEU A 114 0.585 4.852 8.680 1.00 0.00 H new ATOM 0 HD11 LEU A 114 2.035 6.543 7.629 1.00 0.00 H new ATOM 0 HD12 LEU A 114 1.195 7.190 9.058 1.00 0.00 H new ATOM 0 HD13 LEU A 114 2.913 6.738 9.164 1.00 0.00 H new ATOM 0 HD21 LEU A 114 2.640 4.154 7.510 1.00 0.00 H new ATOM 0 HD22 LEU A 114 3.541 4.256 9.042 1.00 0.00 H new ATOM 0 HD23 LEU A 114 2.240 3.057 8.853 1.00 0.00 H new ATOM 1794 N ASP A 115 -1.455 7.141 10.491 1.00 0.00 N ATOM 1795 CA ASP A 115 -2.767 7.257 9.864 1.00 0.00 C ATOM 1796 C ASP A 115 -2.636 7.676 8.403 1.00 0.00 C ATOM 1797 O ASP A 115 -3.023 8.783 8.025 1.00 0.00 O ATOM 1798 CB ASP A 115 -3.630 8.268 10.622 1.00 0.00 C ATOM 1799 CG ASP A 115 -5.083 8.227 10.189 1.00 0.00 C ATOM 1800 OD1 ASP A 115 -5.576 7.126 9.868 1.00 0.00 O ATOM 1801 OD2 ASP A 115 -5.726 9.297 10.174 1.00 0.00 O ATOM 0 H ASP A 115 -1.050 8.028 10.791 1.00 0.00 H new ATOM 0 HA ASP A 115 -3.248 6.280 9.901 1.00 0.00 H new ATOM 0 HB2 ASP A 115 -3.566 8.066 11.691 1.00 0.00 H new ATOM 0 HB3 ASP A 115 -3.234 9.271 10.463 1.00 0.00 H new ATOM 1806 N THR A 116 -2.085 6.785 7.584 1.00 0.00 N ATOM 1807 CA THR A 116 -1.900 7.063 6.165 1.00 0.00 C ATOM 1808 C THR A 116 -2.530 5.974 5.305 1.00 0.00 C ATOM 1809 O THR A 116 -3.107 5.016 5.821 1.00 0.00 O ATOM 1810 CB THR A 116 -0.407 7.186 5.807 1.00 0.00 C ATOM 1811 OG1 THR A 116 -0.261 7.815 4.529 1.00 0.00 O ATOM 1812 CG2 THR A 116 0.257 5.818 5.783 1.00 0.00 C ATOM 0 H THR A 116 -1.759 5.865 7.879 1.00 0.00 H new ATOM 0 HA THR A 116 -2.394 8.013 5.962 1.00 0.00 H new ATOM 0 HB THR A 116 0.079 7.795 6.569 1.00 0.00 H new ATOM 0 HG1 THR A 116 -0.200 8.786 4.647 1.00 0.00 H new ATOM 0 HG21 THR A 116 1.311 5.930 5.528 1.00 0.00 H new ATOM 0 HG22 THR A 116 0.169 5.353 6.765 1.00 0.00 H new ATOM 0 HG23 THR A 116 -0.232 5.189 5.039 1.00 0.00 H new ATOM 1820 N THR A 117 -2.416 6.125 3.989 1.00 0.00 N ATOM 1821 CA THR A 117 -2.975 5.154 3.057 1.00 0.00 C ATOM 1822 C THR A 117 -2.084 4.993 1.831 1.00 0.00 C ATOM 1823 O THR A 117 -1.088 5.702 1.677 1.00 0.00 O ATOM 1824 CB THR A 117 -4.388 5.563 2.600 1.00 0.00 C ATOM 1825 OG1 THR A 117 -4.446 6.979 2.394 1.00 0.00 O ATOM 1826 CG2 THR A 117 -5.430 5.152 3.630 1.00 0.00 C ATOM 0 H THR A 117 -1.941 6.911 3.545 1.00 0.00 H new ATOM 0 HA THR A 117 -3.033 4.204 3.588 1.00 0.00 H new ATOM 0 HB THR A 117 -4.605 5.051 1.663 1.00 0.00 H new ATOM 0 HG1 THR A 117 -5.347 7.230 2.102 1.00 0.00 H new ATOM 0 HG21 THR A 117 -6.420 5.451 3.286 1.00 0.00 H new ATOM 0 HG22 THR A 117 -5.404 4.070 3.763 1.00 0.00 H new ATOM 0 HG23 THR A 117 -5.214 5.640 4.581 1.00 0.00 H new ATOM 1834 N LEU A 118 -2.446 4.057 0.960 1.00 0.00 N ATOM 1835 CA LEU A 118 -1.679 3.804 -0.254 1.00 0.00 C ATOM 1836 C LEU A 118 -2.078 4.772 -1.363 1.00 0.00 C ATOM 1837 O LEU A 118 -3.076 4.563 -2.052 1.00 0.00 O ATOM 1838 CB LEU A 118 -1.888 2.362 -0.721 1.00 0.00 C ATOM 1839 CG LEU A 118 -1.317 1.273 0.188 1.00 0.00 C ATOM 1840 CD1 LEU A 118 0.180 1.463 0.374 1.00 0.00 C ATOM 1841 CD2 LEU A 118 -2.028 1.274 1.533 1.00 0.00 C ATOM 0 H LEU A 118 -3.266 3.461 1.072 1.00 0.00 H new ATOM 0 HA LEU A 118 -0.624 3.957 -0.026 1.00 0.00 H new ATOM 0 HB2 LEU A 118 -2.958 2.189 -0.833 1.00 0.00 H new ATOM 0 HB3 LEU A 118 -1.442 2.253 -1.710 1.00 0.00 H new ATOM 0 HG LEU A 118 -1.483 0.306 -0.287 1.00 0.00 H new ATOM 0 HD11 LEU A 118 0.568 0.679 1.024 1.00 0.00 H new ATOM 0 HD12 LEU A 118 0.677 1.411 -0.595 1.00 0.00 H new ATOM 0 HD13 LEU A 118 0.370 2.436 0.827 1.00 0.00 H new ATOM 0 HD21 LEU A 118 -1.609 0.493 2.167 1.00 0.00 H new ATOM 0 HD22 LEU A 118 -1.894 2.243 2.015 1.00 0.00 H new ATOM 0 HD23 LEU A 118 -3.091 1.087 1.383 1.00 0.00 H new ATOM 1853 N GLN A 119 -1.291 5.830 -1.529 1.00 0.00 N ATOM 1854 CA GLN A 119 -1.563 6.830 -2.555 1.00 0.00 C ATOM 1855 C GLN A 119 -1.145 6.323 -3.932 1.00 0.00 C ATOM 1856 O GLN A 119 -1.989 5.990 -4.764 1.00 0.00 O ATOM 1857 CB GLN A 119 -0.829 8.133 -2.234 1.00 0.00 C ATOM 1858 CG GLN A 119 -0.909 8.531 -0.769 1.00 0.00 C ATOM 1859 CD GLN A 119 -0.963 10.034 -0.575 1.00 0.00 C ATOM 1860 OE1 GLN A 119 -0.514 10.798 -1.429 1.00 0.00 O ATOM 1861 NE2 GLN A 119 -1.515 10.465 0.553 1.00 0.00 N ATOM 0 H GLN A 119 -0.461 6.017 -0.967 1.00 0.00 H new ATOM 0 HA GLN A 119 -2.636 7.020 -2.567 1.00 0.00 H new ATOM 0 HB2 GLN A 119 0.218 8.030 -2.517 1.00 0.00 H new ATOM 0 HB3 GLN A 119 -1.246 8.935 -2.843 1.00 0.00 H new ATOM 0 HG2 GLN A 119 -1.794 8.079 -0.321 1.00 0.00 H new ATOM 0 HG3 GLN A 119 -0.044 8.131 -0.240 1.00 0.00 H new ATOM 0 HE21 GLN A 119 -1.874 9.795 1.233 1.00 0.00 H new ATOM 0 HE22 GLN A 119 -1.580 11.466 0.739 1.00 0.00 H new ATOM 1870 N PHE A 120 0.162 6.269 -4.166 1.00 0.00 N ATOM 1871 CA PHE A 120 0.691 5.804 -5.442 1.00 0.00 C ATOM 1872 C PHE A 120 1.980 5.013 -5.241 1.00 0.00 C ATOM 1873 O PHE A 120 2.699 5.188 -4.257 1.00 0.00 O ATOM 1874 CB PHE A 120 0.948 6.991 -6.374 1.00 0.00 C ATOM 1875 CG PHE A 120 0.049 8.165 -6.112 1.00 0.00 C ATOM 1876 CD1 PHE A 120 -1.291 8.119 -6.461 1.00 0.00 C ATOM 1877 CD2 PHE A 120 0.543 9.314 -5.516 1.00 0.00 C ATOM 1878 CE1 PHE A 120 -2.122 9.198 -6.221 1.00 0.00 C ATOM 1879 CE2 PHE A 120 -0.283 10.395 -5.273 1.00 0.00 C ATOM 1880 CZ PHE A 120 -1.617 10.337 -5.627 1.00 0.00 C ATOM 0 H PHE A 120 0.874 6.542 -3.488 1.00 0.00 H new ATOM 0 HA PHE A 120 -0.050 5.147 -5.897 1.00 0.00 H new ATOM 0 HB2 PHE A 120 1.986 7.308 -6.268 1.00 0.00 H new ATOM 0 HB3 PHE A 120 0.817 6.667 -7.406 1.00 0.00 H new ATOM 0 HD1 PHE A 120 -1.691 7.230 -6.926 1.00 0.00 H new ATOM 0 HD2 PHE A 120 1.585 9.365 -5.238 1.00 0.00 H new ATOM 0 HE1 PHE A 120 -3.165 9.150 -6.498 1.00 0.00 H new ATOM 0 HE2 PHE A 120 0.114 11.284 -4.807 1.00 0.00 H new ATOM 0 HZ PHE A 120 -2.264 11.181 -5.439 1.00 0.00 H new ATOM 1890 N PRO A 121 2.281 4.120 -6.196 1.00 0.00 N ATOM 1891 CA PRO A 121 3.484 3.284 -6.147 1.00 0.00 C ATOM 1892 C PRO A 121 4.760 4.090 -6.362 1.00 0.00 C ATOM 1893 O PRO A 121 4.710 5.269 -6.714 1.00 0.00 O ATOM 1894 CB PRO A 121 3.276 2.295 -7.297 1.00 0.00 C ATOM 1895 CG PRO A 121 2.370 3.003 -8.245 1.00 0.00 C ATOM 1896 CD PRO A 121 1.471 3.859 -7.397 1.00 0.00 C ATOM 0 HA PRO A 121 3.610 2.808 -5.175 1.00 0.00 H new ATOM 0 HB2 PRO A 121 4.222 2.036 -7.772 1.00 0.00 H new ATOM 0 HB3 PRO A 121 2.831 1.365 -6.944 1.00 0.00 H new ATOM 0 HG2 PRO A 121 2.939 3.612 -8.948 1.00 0.00 H new ATOM 0 HG3 PRO A 121 1.790 2.293 -8.835 1.00 0.00 H new ATOM 0 HD2 PRO A 121 1.199 4.783 -7.907 1.00 0.00 H new ATOM 0 HD3 PRO A 121 0.542 3.345 -7.151 1.00 0.00 H new ATOM 1904 N PHE A 122 5.904 3.448 -6.148 1.00 0.00 N ATOM 1905 CA PHE A 122 7.194 4.106 -6.318 1.00 0.00 C ATOM 1906 C PHE A 122 7.615 4.106 -7.784 1.00 0.00 C ATOM 1907 O PHE A 122 8.127 5.103 -8.296 1.00 0.00 O ATOM 1908 CB PHE A 122 8.260 3.411 -5.469 1.00 0.00 C ATOM 1909 CG PHE A 122 8.884 2.223 -6.145 1.00 0.00 C ATOM 1910 CD1 PHE A 122 8.273 0.981 -6.094 1.00 0.00 C ATOM 1911 CD2 PHE A 122 10.081 2.349 -6.831 1.00 0.00 C ATOM 1912 CE1 PHE A 122 8.845 -0.114 -6.715 1.00 0.00 C ATOM 1913 CE2 PHE A 122 10.658 1.258 -7.453 1.00 0.00 C ATOM 1914 CZ PHE A 122 10.038 0.025 -7.396 1.00 0.00 C ATOM 0 H PHE A 122 5.964 2.472 -5.856 1.00 0.00 H new ATOM 0 HA PHE A 122 7.093 5.140 -5.987 1.00 0.00 H new ATOM 0 HB2 PHE A 122 9.041 4.130 -5.221 1.00 0.00 H new ATOM 0 HB3 PHE A 122 7.812 3.090 -4.529 1.00 0.00 H new ATOM 0 HD1 PHE A 122 7.339 0.867 -5.563 1.00 0.00 H new ATOM 0 HD2 PHE A 122 10.569 3.311 -6.880 1.00 0.00 H new ATOM 0 HE1 PHE A 122 8.359 -1.077 -6.667 1.00 0.00 H new ATOM 0 HE2 PHE A 122 11.592 1.369 -7.983 1.00 0.00 H new ATOM 0 HZ PHE A 122 10.486 -0.829 -7.883 1.00 0.00 H new ATOM 1924 N LYS A 123 7.397 2.981 -8.457 1.00 0.00 N ATOM 1925 CA LYS A 123 7.752 2.849 -9.865 1.00 0.00 C ATOM 1926 C LYS A 123 6.954 3.827 -10.721 1.00 0.00 C ATOM 1927 O LYS A 123 7.393 4.221 -11.801 1.00 0.00 O ATOM 1928 CB LYS A 123 7.504 1.417 -10.343 1.00 0.00 C ATOM 1929 CG LYS A 123 8.605 0.446 -9.951 1.00 0.00 C ATOM 1930 CD LYS A 123 8.796 -0.634 -11.003 1.00 0.00 C ATOM 1931 CE LYS A 123 7.978 -1.876 -10.681 1.00 0.00 C ATOM 1932 NZ LYS A 123 8.497 -3.079 -11.389 1.00 0.00 N ATOM 0 H LYS A 123 6.976 2.146 -8.049 1.00 0.00 H new ATOM 0 HA LYS A 123 8.812 3.082 -9.970 1.00 0.00 H new ATOM 0 HB2 LYS A 123 6.557 1.065 -9.933 1.00 0.00 H new ATOM 0 HB3 LYS A 123 7.401 1.418 -11.428 1.00 0.00 H new ATOM 0 HG2 LYS A 123 9.539 0.990 -9.813 1.00 0.00 H new ATOM 0 HG3 LYS A 123 8.361 -0.016 -8.994 1.00 0.00 H new ATOM 0 HD2 LYS A 123 8.504 -0.248 -11.980 1.00 0.00 H new ATOM 0 HD3 LYS A 123 9.851 -0.899 -11.067 1.00 0.00 H new ATOM 0 HE2 LYS A 123 7.993 -2.052 -9.605 1.00 0.00 H new ATOM 0 HE3 LYS A 123 6.938 -1.709 -10.962 1.00 0.00 H new ATOM 0 HZ1 LYS A 123 7.914 -3.904 -11.144 1.00 0.00 H new ATOM 0 HZ2 LYS A 123 8.459 -2.921 -12.416 1.00 0.00 H new ATOM 0 HZ3 LYS A 123 9.481 -3.253 -11.102 1.00 0.00 H new ATOM 1946 N GLU A 124 5.782 4.217 -10.231 1.00 0.00 N ATOM 1947 CA GLU A 124 4.924 5.150 -10.952 1.00 0.00 C ATOM 1948 C GLU A 124 5.757 6.147 -11.752 1.00 0.00 C ATOM 1949 O GLU A 124 6.662 6.798 -11.230 1.00 0.00 O ATOM 1950 CB GLU A 124 4.012 5.897 -9.977 1.00 0.00 C ATOM 1951 CG GLU A 124 2.611 6.136 -10.516 1.00 0.00 C ATOM 1952 CD GLU A 124 1.900 7.272 -9.806 1.00 0.00 C ATOM 1953 OE1 GLU A 124 2.583 8.067 -9.127 1.00 0.00 O ATOM 1954 OE2 GLU A 124 0.661 7.365 -9.929 1.00 0.00 O ATOM 0 H GLU A 124 5.405 3.901 -9.337 1.00 0.00 H new ATOM 0 HA GLU A 124 4.309 4.577 -11.646 1.00 0.00 H new ATOM 0 HB2 GLU A 124 3.943 5.329 -9.049 1.00 0.00 H new ATOM 0 HB3 GLU A 124 4.466 6.857 -9.730 1.00 0.00 H new ATOM 0 HG2 GLU A 124 2.668 6.358 -11.582 1.00 0.00 H new ATOM 0 HG3 GLU A 124 2.025 5.223 -10.411 1.00 0.00 H new ATOM 1961 N PRO A 125 5.446 6.269 -13.051 1.00 0.00 N ATOM 1962 CA PRO A 125 6.153 7.184 -13.952 1.00 0.00 C ATOM 1963 C PRO A 125 5.856 8.647 -13.642 1.00 0.00 C ATOM 1964 O PRO A 125 4.758 8.987 -13.205 1.00 0.00 O ATOM 1965 CB PRO A 125 5.613 6.810 -15.334 1.00 0.00 C ATOM 1966 CG PRO A 125 4.270 6.220 -15.069 1.00 0.00 C ATOM 1967 CD PRO A 125 4.379 5.524 -13.741 1.00 0.00 C ATOM 0 HA PRO A 125 7.235 7.088 -13.862 1.00 0.00 H new ATOM 0 HB2 PRO A 125 5.541 7.684 -15.981 1.00 0.00 H new ATOM 0 HB3 PRO A 125 6.267 6.096 -15.835 1.00 0.00 H new ATOM 0 HG2 PRO A 125 3.502 6.993 -15.043 1.00 0.00 H new ATOM 0 HG3 PRO A 125 3.990 5.519 -15.855 1.00 0.00 H new ATOM 0 HD2 PRO A 125 3.440 5.563 -13.189 1.00 0.00 H new ATOM 0 HD3 PRO A 125 4.636 4.471 -13.859 1.00 0.00 H new