USER MOD reduce.3.24.130724 H: found=0, std=0, add=781, rem=0, adj=23 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 106 SER OG : rot 180:sc= 0 USER MOD Set 1.2: A 108 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Set 2.1: A 65 SER OG : rot -136:sc= 1.26 USER MOD Set 2.2: A 74 HIS : no HD1:sc= -0.809! C(o=0.45!,f=-16!) USER MOD Set 3.1: A 26 HIS : no HE2:sc= -7.84! C(o=-7.7!,f=-7.3!) USER MOD Set 3.2: A 96 THR OG1 : rot -65:sc= 0.0936 USER MOD Single : A 24 SER OG : rot 180:sc= 0 USER MOD Single : A 29 TYR OH : rot -3:sc= 0.0393 USER MOD Single : A 33 MET CE :methyl -173:sc= -3.27! (180deg=-3.72!) 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 72:sc= 0.498 USER MOD Single : A 67 LYS NZ :NH3+ -140:sc= -8.68! (180deg=-12!) USER MOD Single : A 68 TYR OH : rot -100:sc= 0.102 USER MOD Single : A 69 ASN : amide:sc= -0.228 K(o=-0.23,f=-2.3!) USER MOD Single : A 73 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 76 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 78 MET CE :methyl 162:sc= 0 (180deg=-0.123) 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= -0.0237 USER MOD Single : A 89 LYS NZ :NH3+ -168:sc= 0 (180deg=-0.0679) USER MOD Single : A 90 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 102 TYR OH : rot 70:sc= -0.744 USER MOD Single : A 103 GLN : amide:sc= -5.53! K(o=-5.5!,f=-0.86) USER MOD Single : A 104 GLN : amide:sc= -0.778 X(o=-0.78,f=-1.2) USER MOD Single : A 105 ASN : amide:sc= -2.04! K(o=-2!,f=-1) USER MOD Single : A 110 CYS SG : rot -107:sc= -1.03 USER MOD Single : A 112 LYS NZ :NH3+ -152:sc= -0.133 (180deg=-0.771) USER MOD Single : A 113 SER OG : rot 180:sc= 0 USER MOD Single : A 116 THR OG1 : rot 93:sc= 1.57 USER MOD Single : A 117 THR OG1 : rot 180:sc= 0 USER MOD Single : A 119 GLN : amide:sc= -2.66! C(o=-2.7!,f=-3.7!) USER MOD Single : A 123 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD ----------------------------------------------------------------- ATOM 296 N LEU A 23 2.973 -10.571 -9.589 1.00 0.00 N ATOM 297 CA LEU A 23 2.932 -9.311 -8.856 1.00 0.00 C ATOM 298 C LEU A 23 3.933 -8.314 -9.433 1.00 0.00 C ATOM 299 O LEU A 23 3.789 -7.103 -9.259 1.00 0.00 O ATOM 300 CB LEU A 23 3.229 -9.549 -7.375 1.00 0.00 C ATOM 301 CG LEU A 23 2.392 -10.629 -6.688 1.00 0.00 C ATOM 302 CD1 LEU A 23 2.848 -10.824 -5.251 1.00 0.00 C ATOM 303 CD2 LEU A 23 0.914 -10.269 -6.736 1.00 0.00 C ATOM 0 HA LEU A 23 1.930 -8.893 -8.956 1.00 0.00 H new ATOM 0 HB2 LEU A 23 4.281 -9.814 -7.274 1.00 0.00 H new ATOM 0 HB3 LEU A 23 3.084 -8.610 -6.840 1.00 0.00 H new ATOM 0 HG LEU A 23 2.535 -11.568 -7.223 1.00 0.00 H new ATOM 0 HD11 LEU A 23 2.241 -11.596 -4.778 1.00 0.00 H new ATOM 0 HD12 LEU A 23 3.895 -11.128 -5.239 1.00 0.00 H new ATOM 0 HD13 LEU A 23 2.736 -9.888 -4.703 1.00 0.00 H new ATOM 0 HD21 LEU A 23 0.333 -11.049 -6.243 1.00 0.00 H new ATOM 0 HD22 LEU A 23 0.754 -9.319 -6.225 1.00 0.00 H new ATOM 0 HD23 LEU A 23 0.594 -10.181 -7.774 1.00 0.00 H new ATOM 315 N SER A 24 4.945 -8.830 -10.122 1.00 0.00 N ATOM 316 CA SER A 24 5.971 -7.985 -10.723 1.00 0.00 C ATOM 317 C SER A 24 5.348 -6.971 -11.678 1.00 0.00 C ATOM 318 O SER A 24 5.802 -5.831 -11.774 1.00 0.00 O ATOM 319 CB SER A 24 6.995 -8.843 -11.468 1.00 0.00 C ATOM 320 OG SER A 24 6.439 -9.389 -12.651 1.00 0.00 O ATOM 0 H SER A 24 5.077 -9.829 -10.278 1.00 0.00 H new ATOM 0 HA SER A 24 6.475 -7.442 -9.923 1.00 0.00 H new ATOM 0 HB2 SER A 24 7.867 -8.239 -11.718 1.00 0.00 H new ATOM 0 HB3 SER A 24 7.340 -9.648 -10.819 1.00 0.00 H new ATOM 0 HG SER A 24 7.114 -9.932 -13.110 1.00 0.00 H new ATOM 326 N VAL A 25 4.304 -7.396 -12.383 1.00 0.00 N ATOM 327 CA VAL A 25 3.617 -6.526 -13.331 1.00 0.00 C ATOM 328 C VAL A 25 3.138 -5.247 -12.654 1.00 0.00 C ATOM 329 O VAL A 25 2.893 -4.236 -13.315 1.00 0.00 O ATOM 330 CB VAL A 25 2.411 -7.237 -13.973 1.00 0.00 C ATOM 331 CG1 VAL A 25 2.843 -8.548 -14.612 1.00 0.00 C ATOM 332 CG2 VAL A 25 1.320 -7.473 -12.939 1.00 0.00 C ATOM 0 H VAL A 25 3.916 -8.337 -12.316 1.00 0.00 H new ATOM 0 HA VAL A 25 4.337 -6.274 -14.110 1.00 0.00 H new ATOM 0 HB VAL A 25 2.006 -6.595 -14.755 1.00 0.00 H new ATOM 0 HG11 VAL A 25 1.978 -9.037 -15.061 1.00 0.00 H new ATOM 0 HG12 VAL A 25 3.588 -8.349 -15.383 1.00 0.00 H new ATOM 0 HG13 VAL A 25 3.273 -9.199 -13.851 1.00 0.00 H new ATOM 0 HG21 VAL A 25 0.475 -7.976 -13.410 1.00 0.00 H new ATOM 0 HG22 VAL A 25 1.710 -8.095 -12.134 1.00 0.00 H new ATOM 0 HG23 VAL A 25 0.992 -6.517 -12.532 1.00 0.00 H new ATOM 342 N HIS A 26 3.005 -5.297 -11.332 1.00 0.00 N ATOM 343 CA HIS A 26 2.555 -4.141 -10.565 1.00 0.00 C ATOM 344 C HIS A 26 3.650 -3.080 -10.489 1.00 0.00 C ATOM 345 O HIS A 26 4.821 -3.363 -10.744 1.00 0.00 O ATOM 346 CB HIS A 26 2.143 -4.566 -9.156 1.00 0.00 C ATOM 347 CG HIS A 26 1.159 -5.695 -9.135 1.00 0.00 C ATOM 348 ND1 HIS A 26 0.086 -5.774 -9.998 1.00 0.00 N ATOM 349 CD2 HIS A 26 1.091 -6.796 -8.351 1.00 0.00 C ATOM 350 CE1 HIS A 26 -0.601 -6.874 -9.743 1.00 0.00 C ATOM 351 NE2 HIS A 26 -0.011 -7.512 -8.748 1.00 0.00 N ATOM 0 H HIS A 26 3.202 -6.125 -10.770 1.00 0.00 H new ATOM 0 HA HIS A 26 1.692 -3.712 -11.074 1.00 0.00 H new ATOM 0 HB2 HIS A 26 3.033 -4.860 -8.599 1.00 0.00 H new ATOM 0 HB3 HIS A 26 1.712 -3.709 -8.638 1.00 0.00 H new ATOM 0 HD1 HIS A 26 -0.142 -5.090 -10.720 1.00 0.00 H new ATOM 0 HD2 HIS A 26 1.776 -7.062 -7.560 1.00 0.00 H new ATOM 0 HE1 HIS A 26 -1.493 -7.196 -10.260 1.00 0.00 H new ATOM 359 N LEU A 27 3.260 -1.859 -10.138 1.00 0.00 N ATOM 360 CA LEU A 27 4.208 -0.756 -10.029 1.00 0.00 C ATOM 361 C LEU A 27 4.788 -0.673 -8.621 1.00 0.00 C ATOM 362 O LEU A 27 5.954 -0.324 -8.439 1.00 0.00 O ATOM 363 CB LEU A 27 3.527 0.565 -10.391 1.00 0.00 C ATOM 364 CG LEU A 27 3.278 0.806 -11.881 1.00 0.00 C ATOM 365 CD1 LEU A 27 2.533 2.114 -12.093 1.00 0.00 C ATOM 366 CD2 LEU A 27 4.593 0.809 -12.647 1.00 0.00 C ATOM 0 H LEU A 27 2.295 -1.608 -9.924 1.00 0.00 H new ATOM 0 HA LEU A 27 5.024 -0.941 -10.728 1.00 0.00 H new ATOM 0 HB2 LEU A 27 2.570 0.612 -9.871 1.00 0.00 H new ATOM 0 HB3 LEU A 27 4.138 1.382 -10.008 1.00 0.00 H new ATOM 0 HG LEU A 27 2.659 -0.006 -12.263 1.00 0.00 H new ATOM 0 HD11 LEU A 27 2.365 2.268 -13.159 1.00 0.00 H new ATOM 0 HD12 LEU A 27 1.574 2.074 -11.576 1.00 0.00 H new ATOM 0 HD13 LEU A 27 3.125 2.938 -11.696 1.00 0.00 H new ATOM 0 HD21 LEU A 27 4.397 0.982 -13.705 1.00 0.00 H new ATOM 0 HD22 LEU A 27 5.236 1.601 -12.263 1.00 0.00 H new ATOM 0 HD23 LEU A 27 5.089 -0.154 -12.522 1.00 0.00 H new ATOM 378 N TRP A 28 3.966 -0.998 -7.629 1.00 0.00 N ATOM 379 CA TRP A 28 4.399 -0.962 -6.236 1.00 0.00 C ATOM 380 C TRP A 28 5.186 -2.217 -5.878 1.00 0.00 C ATOM 381 O TRP A 28 5.390 -2.520 -4.702 1.00 0.00 O ATOM 382 CB TRP A 28 3.190 -0.821 -5.309 1.00 0.00 C ATOM 383 CG TRP A 28 1.976 -1.548 -5.802 1.00 0.00 C ATOM 384 CD1 TRP A 28 0.898 -1.005 -6.441 1.00 0.00 C ATOM 385 CD2 TRP A 28 1.715 -2.952 -5.695 1.00 0.00 C ATOM 386 NE1 TRP A 28 -0.017 -1.986 -6.737 1.00 0.00 N ATOM 387 CE2 TRP A 28 0.461 -3.189 -6.290 1.00 0.00 C ATOM 388 CE3 TRP A 28 2.419 -4.031 -5.155 1.00 0.00 C ATOM 389 CZ2 TRP A 28 -0.102 -4.461 -6.359 1.00 0.00 C ATOM 390 CZ3 TRP A 28 1.859 -5.293 -5.224 1.00 0.00 C ATOM 391 CH2 TRP A 28 0.610 -5.500 -5.823 1.00 0.00 C ATOM 0 H TRP A 28 2.998 -1.289 -7.763 1.00 0.00 H new ATOM 0 HA TRP A 28 5.051 -0.098 -6.106 1.00 0.00 H new ATOM 0 HB2 TRP A 28 3.453 -1.197 -4.320 1.00 0.00 H new ATOM 0 HB3 TRP A 28 2.950 0.236 -5.195 1.00 0.00 H new ATOM 0 HD1 TRP A 28 0.782 0.042 -6.679 1.00 0.00 H new ATOM 0 HE1 TRP A 28 -0.908 -1.842 -7.213 1.00 0.00 H new ATOM 0 HE3 TRP A 28 3.383 -3.882 -4.692 1.00 0.00 H new ATOM 0 HZ2 TRP A 28 -1.066 -4.622 -6.819 1.00 0.00 H new ATOM 0 HZ3 TRP A 28 2.394 -6.134 -4.809 1.00 0.00 H new ATOM 0 HH2 TRP A 28 0.201 -6.499 -5.863 1.00 0.00 H new ATOM 402 N TYR A 29 5.627 -2.945 -6.898 1.00 0.00 N ATOM 403 CA TYR A 29 6.391 -4.169 -6.690 1.00 0.00 C ATOM 404 C TYR A 29 7.866 -3.953 -7.017 1.00 0.00 C ATOM 405 O TYR A 29 8.277 -4.046 -8.173 1.00 0.00 O ATOM 406 CB TYR A 29 5.827 -5.300 -7.552 1.00 0.00 C ATOM 407 CG TYR A 29 6.077 -6.678 -6.982 1.00 0.00 C ATOM 408 CD1 TYR A 29 5.328 -7.155 -5.913 1.00 0.00 C ATOM 409 CD2 TYR A 29 7.062 -7.502 -7.512 1.00 0.00 C ATOM 410 CE1 TYR A 29 5.554 -8.413 -5.389 1.00 0.00 C ATOM 411 CE2 TYR A 29 7.293 -8.762 -6.995 1.00 0.00 C ATOM 412 CZ TYR A 29 6.536 -9.213 -5.933 1.00 0.00 C ATOM 413 OH TYR A 29 6.765 -10.467 -5.415 1.00 0.00 O ATOM 0 H TYR A 29 5.468 -2.708 -7.877 1.00 0.00 H new ATOM 0 HA TYR A 29 6.307 -4.445 -5.639 1.00 0.00 H new ATOM 0 HB2 TYR A 29 4.753 -5.154 -7.671 1.00 0.00 H new ATOM 0 HB3 TYR A 29 6.268 -5.242 -8.547 1.00 0.00 H new ATOM 0 HD1 TYR A 29 4.557 -6.532 -5.485 1.00 0.00 H new ATOM 0 HD2 TYR A 29 7.657 -7.152 -8.342 1.00 0.00 H new ATOM 0 HE1 TYR A 29 4.964 -8.768 -4.557 1.00 0.00 H new ATOM 0 HE2 TYR A 29 8.062 -9.391 -7.420 1.00 0.00 H new ATOM 0 HH TYR A 29 6.182 -10.612 -4.641 1.00 0.00 H new ATOM 423 N ALA A 30 8.657 -3.666 -5.988 1.00 0.00 N ATOM 424 CA ALA A 30 10.086 -3.439 -6.164 1.00 0.00 C ATOM 425 C ALA A 30 10.888 -4.683 -5.797 1.00 0.00 C ATOM 426 O ALA A 30 11.995 -4.587 -5.269 1.00 0.00 O ATOM 427 CB ALA A 30 10.539 -2.252 -5.327 1.00 0.00 C ATOM 0 H ALA A 30 8.332 -3.585 -5.024 1.00 0.00 H new ATOM 0 HA ALA A 30 10.267 -3.218 -7.216 1.00 0.00 H new ATOM 0 HB1 ALA A 30 11.608 -2.094 -5.468 1.00 0.00 H new ATOM 0 HB2 ALA A 30 9.996 -1.359 -5.638 1.00 0.00 H new ATOM 0 HB3 ALA A 30 10.338 -2.451 -4.274 1.00 0.00 H new ATOM 433 N GLY A 31 10.321 -5.852 -6.081 1.00 0.00 N ATOM 434 CA GLY A 31 10.998 -7.099 -5.773 1.00 0.00 C ATOM 435 C GLY A 31 11.823 -7.012 -4.505 1.00 0.00 C ATOM 436 O GLY A 31 11.480 -6.298 -3.563 1.00 0.00 O ATOM 0 H GLY A 31 9.406 -5.958 -6.519 1.00 0.00 H new ATOM 0 HA2 GLY A 31 10.259 -7.894 -5.669 1.00 0.00 H new ATOM 0 HA3 GLY A 31 11.645 -7.373 -6.606 1.00 0.00 H new ATOM 440 N PRO A 32 12.940 -7.755 -4.470 1.00 0.00 N ATOM 441 CA PRO A 32 13.840 -7.777 -3.313 1.00 0.00 C ATOM 442 C PRO A 32 14.591 -6.462 -3.138 1.00 0.00 C ATOM 443 O PRO A 32 15.117 -5.904 -4.100 1.00 0.00 O ATOM 444 CB PRO A 32 14.814 -8.910 -3.643 1.00 0.00 C ATOM 445 CG PRO A 32 14.804 -8.997 -5.130 1.00 0.00 C ATOM 446 CD PRO A 32 13.410 -8.630 -5.557 1.00 0.00 C ATOM 0 HA PRO A 32 13.299 -7.921 -2.378 1.00 0.00 H new ATOM 0 HB2 PRO A 32 15.814 -8.695 -3.266 1.00 0.00 H new ATOM 0 HB3 PRO A 32 14.497 -9.849 -3.189 1.00 0.00 H new ATOM 0 HG2 PRO A 32 15.537 -8.318 -5.566 1.00 0.00 H new ATOM 0 HG3 PRO A 32 15.063 -10.002 -5.464 1.00 0.00 H new ATOM 0 HD2 PRO A 32 13.406 -8.115 -6.518 1.00 0.00 H new ATOM 0 HD3 PRO A 32 12.778 -9.511 -5.665 1.00 0.00 H new ATOM 454 N MET A 33 14.638 -5.972 -1.903 1.00 0.00 N ATOM 455 CA MET A 33 15.328 -4.723 -1.603 1.00 0.00 C ATOM 456 C MET A 33 15.387 -4.484 -0.097 1.00 0.00 C ATOM 457 O MET A 33 14.491 -4.891 0.640 1.00 0.00 O ATOM 458 CB MET A 33 14.626 -3.550 -2.290 1.00 0.00 C ATOM 459 CG MET A 33 15.362 -2.229 -2.139 1.00 0.00 C ATOM 460 SD MET A 33 15.137 -1.142 -3.560 1.00 0.00 S ATOM 461 CE MET A 33 13.359 -0.930 -3.546 1.00 0.00 C ATOM 0 H MET A 33 14.207 -6.421 -1.095 1.00 0.00 H new ATOM 0 HA MET A 33 16.347 -4.799 -1.982 1.00 0.00 H new ATOM 0 HB2 MET A 33 14.514 -3.775 -3.351 1.00 0.00 H new ATOM 0 HB3 MET A 33 13.622 -3.446 -1.878 1.00 0.00 H new ATOM 0 HG2 MET A 33 15.011 -1.723 -1.240 1.00 0.00 H new ATOM 0 HG3 MET A 33 16.425 -2.424 -2.000 1.00 0.00 H new ATOM 0 HE1 MET A 33 13.051 -0.384 -4.438 1.00 0.00 H new ATOM 0 HE2 MET A 33 12.876 -1.907 -3.534 1.00 0.00 H new ATOM 0 HE3 MET A 33 13.066 -0.369 -2.658 1.00 0.00 H new ATOM 471 N GLU A 34 16.449 -3.820 0.350 1.00 0.00 N ATOM 472 CA GLU A 34 16.624 -3.529 1.768 1.00 0.00 C ATOM 473 C GLU A 34 15.877 -2.257 2.158 1.00 0.00 C ATOM 474 O GLU A 34 15.368 -1.535 1.300 1.00 0.00 O ATOM 475 CB GLU A 34 18.111 -3.383 2.102 1.00 0.00 C ATOM 476 CG GLU A 34 18.942 -4.595 1.719 1.00 0.00 C ATOM 477 CD GLU A 34 19.037 -4.788 0.218 1.00 0.00 C ATOM 478 OE1 GLU A 34 19.691 -3.957 -0.446 1.00 0.00 O ATOM 479 OE2 GLU A 34 18.457 -5.769 -0.293 1.00 0.00 O ATOM 0 H GLU A 34 17.199 -3.474 -0.248 1.00 0.00 H new ATOM 0 HA GLU A 34 16.211 -4.362 2.337 1.00 0.00 H new ATOM 0 HB2 GLU A 34 18.506 -2.506 1.589 1.00 0.00 H new ATOM 0 HB3 GLU A 34 18.219 -3.202 3.172 1.00 0.00 H new ATOM 0 HG2 GLU A 34 19.945 -4.488 2.132 1.00 0.00 H new ATOM 0 HG3 GLU A 34 18.506 -5.487 2.169 1.00 0.00 H new ATOM 486 N ARG A 35 15.815 -1.989 3.459 1.00 0.00 N ATOM 487 CA ARG A 35 15.129 -0.806 3.963 1.00 0.00 C ATOM 488 C ARG A 35 15.767 0.468 3.416 1.00 0.00 C ATOM 489 O ARG A 35 15.078 1.345 2.897 1.00 0.00 O ATOM 490 CB ARG A 35 15.158 -0.787 5.493 1.00 0.00 C ATOM 491 CG ARG A 35 14.561 0.473 6.098 1.00 0.00 C ATOM 492 CD ARG A 35 14.732 0.501 7.609 1.00 0.00 C ATOM 493 NE ARG A 35 15.981 1.144 8.006 1.00 0.00 N ATOM 494 CZ ARG A 35 16.347 1.319 9.271 1.00 0.00 C ATOM 495 NH1 ARG A 35 15.563 0.902 10.256 1.00 0.00 N ATOM 496 NH2 ARG A 35 17.500 1.913 9.554 1.00 0.00 N ATOM 0 H ARG A 35 16.232 -2.575 4.182 1.00 0.00 H new ATOM 0 HA ARG A 35 14.093 -0.846 3.626 1.00 0.00 H new ATOM 0 HB2 ARG A 35 14.614 -1.653 5.869 1.00 0.00 H new ATOM 0 HB3 ARG A 35 16.190 -0.888 5.830 1.00 0.00 H new ATOM 0 HG2 ARG A 35 15.039 1.350 5.660 1.00 0.00 H new ATOM 0 HG3 ARG A 35 13.501 0.530 5.850 1.00 0.00 H new ATOM 0 HD2 ARG A 35 13.892 1.031 8.059 1.00 0.00 H new ATOM 0 HD3 ARG A 35 14.710 -0.518 7.995 1.00 0.00 H new ATOM 0 HE ARG A 35 16.607 1.477 7.272 1.00 0.00 H new ATOM 0 HH11 ARG A 35 14.676 0.445 10.043 1.00 0.00 H new ATOM 0 HH12 ARG A 35 15.847 1.038 11.226 1.00 0.00 H new ATOM 0 HH21 ARG A 35 18.106 2.236 8.800 1.00 0.00 H new ATOM 0 HH22 ARG A 35 17.780 2.047 10.526 1.00 0.00 H new ATOM 510 N ALA A 36 17.088 0.561 3.537 1.00 0.00 N ATOM 511 CA ALA A 36 17.819 1.726 3.054 1.00 0.00 C ATOM 512 C ALA A 36 17.319 2.155 1.678 1.00 0.00 C ATOM 513 O ALA A 36 16.887 3.292 1.491 1.00 0.00 O ATOM 514 CB ALA A 36 19.310 1.430 3.007 1.00 0.00 C ATOM 0 H ALA A 36 17.673 -0.156 3.965 1.00 0.00 H new ATOM 0 HA ALA A 36 17.645 2.548 3.748 1.00 0.00 H new ATOM 0 HB1 ALA A 36 19.844 2.308 2.645 1.00 0.00 H new ATOM 0 HB2 ALA A 36 19.663 1.178 4.007 1.00 0.00 H new ATOM 0 HB3 ALA A 36 19.493 0.591 2.336 1.00 0.00 H new ATOM 520 N GLY A 37 17.381 1.238 0.718 1.00 0.00 N ATOM 521 CA GLY A 37 16.933 1.542 -0.629 1.00 0.00 C ATOM 522 C GLY A 37 15.582 2.230 -0.648 1.00 0.00 C ATOM 523 O GLY A 37 15.466 3.372 -1.092 1.00 0.00 O ATOM 0 H GLY A 37 17.733 0.290 0.849 1.00 0.00 H new ATOM 0 HA2 GLY A 37 17.669 2.180 -1.118 1.00 0.00 H new ATOM 0 HA3 GLY A 37 16.876 0.619 -1.207 1.00 0.00 H new ATOM 527 N ALA A 38 14.558 1.533 -0.167 1.00 0.00 N ATOM 528 CA ALA A 38 13.209 2.084 -0.131 1.00 0.00 C ATOM 529 C ALA A 38 13.197 3.466 0.513 1.00 0.00 C ATOM 530 O ALA A 38 12.486 4.364 0.063 1.00 0.00 O ATOM 531 CB ALA A 38 12.275 1.143 0.617 1.00 0.00 C ATOM 0 H ALA A 38 14.637 0.586 0.203 1.00 0.00 H new ATOM 0 HA ALA A 38 12.858 2.188 -1.158 1.00 0.00 H new ATOM 0 HB1 ALA A 38 11.271 1.567 0.636 1.00 0.00 H new ATOM 0 HB2 ALA A 38 12.252 0.177 0.113 1.00 0.00 H new ATOM 0 HB3 ALA A 38 12.633 1.011 1.638 1.00 0.00 H new ATOM 537 N GLU A 39 13.989 3.629 1.569 1.00 0.00 N ATOM 538 CA GLU A 39 14.068 4.902 2.275 1.00 0.00 C ATOM 539 C GLU A 39 14.718 5.970 1.400 1.00 0.00 C ATOM 540 O GLU A 39 14.513 7.166 1.606 1.00 0.00 O ATOM 541 CB GLU A 39 14.858 4.742 3.575 1.00 0.00 C ATOM 542 CG GLU A 39 14.138 3.914 4.626 1.00 0.00 C ATOM 543 CD GLU A 39 14.533 4.296 6.040 1.00 0.00 C ATOM 544 OE1 GLU A 39 15.686 4.732 6.237 1.00 0.00 O ATOM 545 OE2 GLU A 39 13.687 4.159 6.949 1.00 0.00 O ATOM 0 H GLU A 39 14.584 2.896 1.954 1.00 0.00 H new ATOM 0 HA GLU A 39 13.053 5.220 2.512 1.00 0.00 H new ATOM 0 HB2 GLU A 39 15.818 4.276 3.352 1.00 0.00 H new ATOM 0 HB3 GLU A 39 15.071 5.729 3.985 1.00 0.00 H new ATOM 0 HG2 GLU A 39 13.062 4.039 4.507 1.00 0.00 H new ATOM 0 HG3 GLU A 39 14.356 2.858 4.464 1.00 0.00 H new ATOM 552 N SER A 40 15.504 5.528 0.423 1.00 0.00 N ATOM 553 CA SER A 40 16.188 6.445 -0.481 1.00 0.00 C ATOM 554 C SER A 40 15.388 6.640 -1.766 1.00 0.00 C ATOM 555 O SER A 40 15.577 7.623 -2.484 1.00 0.00 O ATOM 556 CB SER A 40 17.586 5.919 -0.813 1.00 0.00 C ATOM 557 OG SER A 40 18.542 6.388 0.122 1.00 0.00 O ATOM 0 H SER A 40 15.683 4.541 0.238 1.00 0.00 H new ATOM 0 HA SER A 40 16.279 7.409 0.020 1.00 0.00 H new ATOM 0 HB2 SER A 40 17.577 4.829 -0.813 1.00 0.00 H new ATOM 0 HB3 SER A 40 17.868 6.236 -1.817 1.00 0.00 H new ATOM 0 HG SER A 40 19.427 6.037 -0.111 1.00 0.00 H new ATOM 563 N ILE A 41 14.495 5.698 -2.048 1.00 0.00 N ATOM 564 CA ILE A 41 13.666 5.766 -3.244 1.00 0.00 C ATOM 565 C ILE A 41 12.508 6.741 -3.056 1.00 0.00 C ATOM 566 O ILE A 41 12.292 7.631 -3.879 1.00 0.00 O ATOM 567 CB ILE A 41 13.101 4.382 -3.617 1.00 0.00 C ATOM 568 CG1 ILE A 41 14.238 3.424 -3.978 1.00 0.00 C ATOM 569 CG2 ILE A 41 12.118 4.505 -4.771 1.00 0.00 C ATOM 570 CD1 ILE A 41 13.816 1.971 -4.009 1.00 0.00 C ATOM 0 H ILE A 41 14.327 4.879 -1.464 1.00 0.00 H new ATOM 0 HA ILE A 41 14.307 6.118 -4.052 1.00 0.00 H new ATOM 0 HB ILE A 41 12.570 3.978 -2.755 1.00 0.00 H new ATOM 0 HG12 ILE A 41 14.638 3.699 -4.954 1.00 0.00 H new ATOM 0 HG13 ILE A 41 15.046 3.544 -3.257 1.00 0.00 H new ATOM 0 HG21 ILE A 41 11.727 3.519 -5.023 1.00 0.00 H new ATOM 0 HG22 ILE A 41 11.295 5.158 -4.480 1.00 0.00 H new ATOM 0 HG23 ILE A 41 12.626 4.927 -5.638 1.00 0.00 H new ATOM 0 HD11 ILE A 41 14.672 1.349 -4.272 1.00 0.00 H new ATOM 0 HD12 ILE A 41 13.443 1.679 -3.027 1.00 0.00 H new ATOM 0 HD13 ILE A 41 13.029 1.837 -4.751 1.00 0.00 H new ATOM 582 N LEU A 42 11.768 6.568 -1.967 1.00 0.00 N ATOM 583 CA LEU A 42 10.632 7.434 -1.668 1.00 0.00 C ATOM 584 C LEU A 42 11.099 8.753 -1.061 1.00 0.00 C ATOM 585 O LEU A 42 10.317 9.692 -0.917 1.00 0.00 O ATOM 586 CB LEU A 42 9.668 6.732 -0.712 1.00 0.00 C ATOM 587 CG LEU A 42 9.271 5.304 -1.087 1.00 0.00 C ATOM 588 CD1 LEU A 42 8.775 4.548 0.136 1.00 0.00 C ATOM 589 CD2 LEU A 42 8.208 5.314 -2.176 1.00 0.00 C ATOM 0 H LEU A 42 11.934 5.836 -1.276 1.00 0.00 H new ATOM 0 HA LEU A 42 10.114 7.649 -2.603 1.00 0.00 H new ATOM 0 HB2 LEU A 42 10.121 6.713 0.279 1.00 0.00 H new ATOM 0 HB3 LEU A 42 8.761 7.332 -0.637 1.00 0.00 H new ATOM 0 HG LEU A 42 10.153 4.792 -1.472 1.00 0.00 H new ATOM 0 HD11 LEU A 42 8.497 3.534 -0.151 1.00 0.00 H new ATOM 0 HD12 LEU A 42 9.566 4.509 0.885 1.00 0.00 H new ATOM 0 HD13 LEU A 42 7.906 5.058 0.552 1.00 0.00 H new ATOM 0 HD21 LEU A 42 7.938 4.289 -2.430 1.00 0.00 H new ATOM 0 HD22 LEU A 42 7.325 5.844 -1.818 1.00 0.00 H new ATOM 0 HD23 LEU A 42 8.599 5.816 -3.061 1.00 0.00 H new ATOM 601 N ALA A 43 12.379 8.817 -0.708 1.00 0.00 N ATOM 602 CA ALA A 43 12.950 10.022 -0.121 1.00 0.00 C ATOM 603 C ALA A 43 12.595 11.256 -0.944 1.00 0.00 C ATOM 604 O ALA A 43 12.270 12.307 -0.395 1.00 0.00 O ATOM 605 CB ALA A 43 14.460 9.884 0.002 1.00 0.00 C ATOM 0 H ALA A 43 13.040 8.048 -0.819 1.00 0.00 H new ATOM 0 HA ALA A 43 12.525 10.148 0.875 1.00 0.00 H new ATOM 0 HB1 ALA A 43 14.874 10.791 0.442 1.00 0.00 H new ATOM 0 HB2 ALA A 43 14.697 9.031 0.639 1.00 0.00 H new ATOM 0 HB3 ALA A 43 14.893 9.730 -0.986 1.00 0.00 H new ATOM 611 N ASN A 44 12.661 11.119 -2.264 1.00 0.00 N ATOM 612 CA ASN A 44 12.348 12.224 -3.163 1.00 0.00 C ATOM 613 C ASN A 44 10.886 12.175 -3.597 1.00 0.00 C ATOM 614 O ASN A 44 10.287 13.203 -3.914 1.00 0.00 O ATOM 615 CB ASN A 44 13.258 12.182 -4.393 1.00 0.00 C ATOM 616 CG ASN A 44 14.723 12.330 -4.033 1.00 0.00 C ATOM 617 OD1 ASN A 44 15.505 11.388 -4.165 1.00 0.00 O ATOM 618 ND2 ASN A 44 15.103 13.518 -3.577 1.00 0.00 N ATOM 0 H ASN A 44 12.928 10.255 -2.735 1.00 0.00 H new ATOM 0 HA ASN A 44 12.518 13.156 -2.625 1.00 0.00 H new ATOM 0 HB2 ASN A 44 13.109 11.239 -4.919 1.00 0.00 H new ATOM 0 HB3 ASN A 44 12.973 12.979 -5.080 1.00 0.00 H new ATOM 0 HD21 ASN A 44 16.077 13.678 -3.320 1.00 0.00 H new ATOM 0 HD22 ASN A 44 14.421 14.271 -3.484 1.00 0.00 H new ATOM 625 N ARG A 45 10.318 10.974 -3.607 1.00 0.00 N ATOM 626 CA ARG A 45 8.926 10.790 -4.001 1.00 0.00 C ATOM 627 C ARG A 45 8.022 11.788 -3.284 1.00 0.00 C ATOM 628 O ARG A 45 8.480 12.569 -2.451 1.00 0.00 O ATOM 629 CB ARG A 45 8.471 9.362 -3.696 1.00 0.00 C ATOM 630 CG ARG A 45 9.064 8.320 -4.631 1.00 0.00 C ATOM 631 CD ARG A 45 8.495 8.445 -6.035 1.00 0.00 C ATOM 632 NE ARG A 45 9.158 9.496 -6.803 1.00 0.00 N ATOM 633 CZ ARG A 45 8.595 10.122 -7.831 1.00 0.00 C ATOM 634 NH1 ARG A 45 7.365 9.805 -8.212 1.00 0.00 N ATOM 635 NH2 ARG A 45 9.262 11.068 -8.479 1.00 0.00 N ATOM 0 H ARG A 45 10.800 10.114 -3.347 1.00 0.00 H new ATOM 0 HA ARG A 45 8.852 10.965 -5.074 1.00 0.00 H new ATOM 0 HB2 ARG A 45 8.744 9.114 -2.670 1.00 0.00 H new ATOM 0 HB3 ARG A 45 7.384 9.315 -3.757 1.00 0.00 H new ATOM 0 HG2 ARG A 45 10.147 8.434 -4.665 1.00 0.00 H new ATOM 0 HG3 ARG A 45 8.860 7.322 -4.242 1.00 0.00 H new ATOM 0 HD2 ARG A 45 8.602 7.493 -6.556 1.00 0.00 H new ATOM 0 HD3 ARG A 45 7.428 8.658 -5.976 1.00 0.00 H new ATOM 0 HE ARG A 45 10.105 9.764 -6.535 1.00 0.00 H new ATOM 0 HH11 ARG A 45 6.849 9.079 -7.716 1.00 0.00 H new ATOM 0 HH12 ARG A 45 6.935 10.287 -9.001 1.00 0.00 H new ATOM 0 HH21 ARG A 45 10.208 11.315 -8.188 1.00 0.00 H new ATOM 0 HH22 ARG A 45 8.829 11.548 -9.268 1.00 0.00 H new ATOM 649 N SER A 46 6.735 11.756 -3.615 1.00 0.00 N ATOM 650 CA SER A 46 5.766 12.661 -3.006 1.00 0.00 C ATOM 651 C SER A 46 5.070 11.995 -1.823 1.00 0.00 C ATOM 652 O SER A 46 4.775 10.800 -1.854 1.00 0.00 O ATOM 653 CB SER A 46 4.729 13.102 -4.040 1.00 0.00 C ATOM 654 OG SER A 46 4.290 14.426 -3.789 1.00 0.00 O ATOM 0 H SER A 46 6.339 11.114 -4.301 1.00 0.00 H new ATOM 0 HA SER A 46 6.302 13.538 -2.643 1.00 0.00 H new ATOM 0 HB2 SER A 46 5.159 13.041 -5.040 1.00 0.00 H new ATOM 0 HB3 SER A 46 3.877 12.423 -4.018 1.00 0.00 H new ATOM 0 HG SER A 46 3.629 14.685 -4.465 1.00 0.00 H new ATOM 660 N ASP A 47 4.811 12.777 -0.781 1.00 0.00 N ATOM 661 CA ASP A 47 4.148 12.265 0.413 1.00 0.00 C ATOM 662 C ASP A 47 2.941 11.409 0.040 1.00 0.00 C ATOM 663 O ASP A 47 1.880 11.930 -0.299 1.00 0.00 O ATOM 664 CB ASP A 47 3.711 13.420 1.315 1.00 0.00 C ATOM 665 CG ASP A 47 3.291 12.951 2.694 1.00 0.00 C ATOM 666 OD1 ASP A 47 2.877 11.780 2.821 1.00 0.00 O ATOM 667 OD2 ASP A 47 3.376 13.755 3.646 1.00 0.00 O ATOM 0 H ASP A 47 5.050 13.768 -0.739 1.00 0.00 H new ATOM 0 HA ASP A 47 4.859 11.641 0.954 1.00 0.00 H new ATOM 0 HB2 ASP A 47 4.530 14.132 1.411 1.00 0.00 H new ATOM 0 HB3 ASP A 47 2.881 13.949 0.846 1.00 0.00 H new ATOM 672 N GLY A 48 3.113 10.092 0.105 1.00 0.00 N ATOM 673 CA GLY A 48 2.030 9.186 -0.229 1.00 0.00 C ATOM 674 C GLY A 48 2.472 8.071 -1.156 1.00 0.00 C ATOM 675 O GLY A 48 1.798 7.048 -1.276 1.00 0.00 O ATOM 0 H GLY A 48 3.983 9.637 0.383 1.00 0.00 H new ATOM 0 HA2 GLY A 48 1.626 8.754 0.687 1.00 0.00 H new ATOM 0 HA3 GLY A 48 1.223 9.747 -0.700 1.00 0.00 H new ATOM 679 N THR A 49 3.610 8.268 -1.816 1.00 0.00 N ATOM 680 CA THR A 49 4.140 7.273 -2.739 1.00 0.00 C ATOM 681 C THR A 49 4.520 5.991 -2.006 1.00 0.00 C ATOM 682 O THR A 49 5.578 5.912 -1.381 1.00 0.00 O ATOM 683 CB THR A 49 5.374 7.806 -3.492 1.00 0.00 C ATOM 684 OG1 THR A 49 5.065 9.058 -4.113 1.00 0.00 O ATOM 685 CG2 THR A 49 5.836 6.811 -4.545 1.00 0.00 C ATOM 0 H THR A 49 4.182 9.108 -1.728 1.00 0.00 H new ATOM 0 HA THR A 49 3.350 7.057 -3.459 1.00 0.00 H new ATOM 0 HB THR A 49 6.180 7.948 -2.772 1.00 0.00 H new ATOM 0 HG1 THR A 49 4.987 9.753 -3.427 1.00 0.00 H new ATOM 0 HG21 THR A 49 6.708 7.209 -5.064 1.00 0.00 H new ATOM 0 HG22 THR A 49 6.098 5.868 -4.065 1.00 0.00 H new ATOM 0 HG23 THR A 49 5.033 6.642 -5.263 1.00 0.00 H new ATOM 693 N PHE A 50 3.652 4.989 -2.088 1.00 0.00 N ATOM 694 CA PHE A 50 3.897 3.709 -1.432 1.00 0.00 C ATOM 695 C PHE A 50 4.690 2.775 -2.342 1.00 0.00 C ATOM 696 O PHE A 50 4.673 2.919 -3.565 1.00 0.00 O ATOM 697 CB PHE A 50 2.573 3.053 -1.037 1.00 0.00 C ATOM 698 CG PHE A 50 1.817 2.479 -2.202 1.00 0.00 C ATOM 699 CD1 PHE A 50 1.113 3.306 -3.062 1.00 0.00 C ATOM 700 CD2 PHE A 50 1.811 1.114 -2.436 1.00 0.00 C ATOM 701 CE1 PHE A 50 0.416 2.781 -4.134 1.00 0.00 C ATOM 702 CE2 PHE A 50 1.117 0.583 -3.506 1.00 0.00 C ATOM 703 CZ PHE A 50 0.419 1.418 -4.357 1.00 0.00 C ATOM 0 H PHE A 50 2.772 5.038 -2.602 1.00 0.00 H new ATOM 0 HA PHE A 50 4.484 3.896 -0.533 1.00 0.00 H new ATOM 0 HB2 PHE A 50 2.771 2.260 -0.316 1.00 0.00 H new ATOM 0 HB3 PHE A 50 1.947 3.791 -0.536 1.00 0.00 H new ATOM 0 HD1 PHE A 50 1.109 4.373 -2.893 1.00 0.00 H new ATOM 0 HD2 PHE A 50 2.355 0.457 -1.774 1.00 0.00 H new ATOM 0 HE1 PHE A 50 -0.130 3.436 -4.797 1.00 0.00 H new ATOM 0 HE2 PHE A 50 1.120 -0.483 -3.677 1.00 0.00 H new ATOM 0 HZ PHE A 50 -0.123 1.006 -5.195 1.00 0.00 H new ATOM 713 N LEU A 51 5.383 1.818 -1.736 1.00 0.00 N ATOM 714 CA LEU A 51 6.183 0.859 -2.490 1.00 0.00 C ATOM 715 C LEU A 51 6.361 -0.438 -1.706 1.00 0.00 C ATOM 716 O LEU A 51 6.774 -0.423 -0.547 1.00 0.00 O ATOM 717 CB LEU A 51 7.551 1.457 -2.824 1.00 0.00 C ATOM 718 CG LEU A 51 8.671 1.170 -1.824 1.00 0.00 C ATOM 719 CD1 LEU A 51 9.293 -0.191 -2.095 1.00 0.00 C ATOM 720 CD2 LEU A 51 9.729 2.262 -1.882 1.00 0.00 C ATOM 0 H LEU A 51 5.407 1.685 -0.725 1.00 0.00 H new ATOM 0 HA LEU A 51 5.655 0.633 -3.417 1.00 0.00 H new ATOM 0 HB2 LEU A 51 7.859 1.085 -3.801 1.00 0.00 H new ATOM 0 HB3 LEU A 51 7.440 2.538 -2.915 1.00 0.00 H new ATOM 0 HG LEU A 51 8.243 1.158 -0.822 1.00 0.00 H new ATOM 0 HD11 LEU A 51 10.088 -0.378 -1.373 1.00 0.00 H new ATOM 0 HD12 LEU A 51 8.530 -0.964 -2.003 1.00 0.00 H new ATOM 0 HD13 LEU A 51 9.707 -0.208 -3.103 1.00 0.00 H new ATOM 0 HD21 LEU A 51 10.519 2.042 -1.164 1.00 0.00 H new ATOM 0 HD22 LEU A 51 10.153 2.305 -2.885 1.00 0.00 H new ATOM 0 HD23 LEU A 51 9.274 3.222 -1.638 1.00 0.00 H new ATOM 732 N VAL A 52 6.046 -1.559 -2.348 1.00 0.00 N ATOM 733 CA VAL A 52 6.174 -2.865 -1.712 1.00 0.00 C ATOM 734 C VAL A 52 7.512 -3.513 -2.051 1.00 0.00 C ATOM 735 O VAL A 52 7.901 -3.583 -3.217 1.00 0.00 O ATOM 736 CB VAL A 52 5.036 -3.811 -2.139 1.00 0.00 C ATOM 737 CG1 VAL A 52 5.033 -5.066 -1.279 1.00 0.00 C ATOM 738 CG2 VAL A 52 3.694 -3.098 -2.060 1.00 0.00 C ATOM 0 H VAL A 52 5.701 -1.589 -3.307 1.00 0.00 H new ATOM 0 HA VAL A 52 6.116 -2.700 -0.636 1.00 0.00 H new ATOM 0 HB VAL A 52 5.204 -4.109 -3.174 1.00 0.00 H new ATOM 0 HG11 VAL A 52 4.222 -5.722 -1.596 1.00 0.00 H new ATOM 0 HG12 VAL A 52 5.985 -5.586 -1.390 1.00 0.00 H new ATOM 0 HG13 VAL A 52 4.890 -4.791 -0.234 1.00 0.00 H new ATOM 0 HG21 VAL A 52 2.901 -3.781 -2.365 1.00 0.00 H new ATOM 0 HG22 VAL A 52 3.516 -2.770 -1.036 1.00 0.00 H new ATOM 0 HG23 VAL A 52 3.702 -2.232 -2.722 1.00 0.00 H new ATOM 748 N ARG A 53 8.211 -3.985 -1.025 1.00 0.00 N ATOM 749 CA ARG A 53 9.507 -4.627 -1.214 1.00 0.00 C ATOM 750 C ARG A 53 9.613 -5.895 -0.372 1.00 0.00 C ATOM 751 O ARG A 53 9.406 -5.865 0.841 1.00 0.00 O ATOM 752 CB ARG A 53 10.636 -3.663 -0.847 1.00 0.00 C ATOM 753 CG ARG A 53 10.615 -3.225 0.608 1.00 0.00 C ATOM 754 CD ARG A 53 11.434 -1.962 0.822 1.00 0.00 C ATOM 755 NE ARG A 53 11.412 -1.524 2.215 1.00 0.00 N ATOM 756 CZ ARG A 53 12.011 -2.182 3.201 1.00 0.00 C ATOM 757 NH1 ARG A 53 12.676 -3.301 2.949 1.00 0.00 N ATOM 758 NH2 ARG A 53 11.946 -1.721 4.444 1.00 0.00 N ATOM 0 H ARG A 53 7.902 -3.935 -0.054 1.00 0.00 H new ATOM 0 HA ARG A 53 9.599 -4.900 -2.265 1.00 0.00 H new ATOM 0 HB2 ARG A 53 11.593 -4.140 -1.060 1.00 0.00 H new ATOM 0 HB3 ARG A 53 10.570 -2.781 -1.484 1.00 0.00 H new ATOM 0 HG2 ARG A 53 9.586 -3.050 0.921 1.00 0.00 H new ATOM 0 HG3 ARG A 53 11.008 -4.025 1.236 1.00 0.00 H new ATOM 0 HD2 ARG A 53 12.464 -2.142 0.515 1.00 0.00 H new ATOM 0 HD3 ARG A 53 11.046 -1.166 0.186 1.00 0.00 H new ATOM 0 HE ARG A 53 10.909 -0.666 2.443 1.00 0.00 H new ATOM 0 HH11 ARG A 53 12.729 -3.659 1.995 1.00 0.00 H new ATOM 0 HH12 ARG A 53 13.135 -3.804 3.709 1.00 0.00 H new ATOM 0 HH21 ARG A 53 11.436 -0.861 4.643 1.00 0.00 H new ATOM 0 HH22 ARG A 53 12.406 -2.227 5.200 1.00 0.00 H new ATOM 898 N PHE A 62 6.682 -9.812 3.045 1.00 0.00 N ATOM 899 CA PHE A 62 6.556 -8.585 2.266 1.00 0.00 C ATOM 900 C PHE A 62 6.390 -7.375 3.181 1.00 0.00 C ATOM 901 O PHE A 62 5.986 -7.508 4.336 1.00 0.00 O ATOM 902 CB PHE A 62 5.365 -8.683 1.310 1.00 0.00 C ATOM 903 CG PHE A 62 5.598 -9.616 0.156 1.00 0.00 C ATOM 904 CD1 PHE A 62 5.497 -10.987 0.325 1.00 0.00 C ATOM 905 CD2 PHE A 62 5.918 -9.121 -1.098 1.00 0.00 C ATOM 906 CE1 PHE A 62 5.711 -11.847 -0.735 1.00 0.00 C ATOM 907 CE2 PHE A 62 6.133 -9.976 -2.162 1.00 0.00 C ATOM 908 CZ PHE A 62 6.029 -11.341 -1.981 1.00 0.00 C ATOM 0 HA PHE A 62 7.470 -8.457 1.685 1.00 0.00 H new ATOM 0 HB2 PHE A 62 4.489 -9.018 1.866 1.00 0.00 H new ATOM 0 HB3 PHE A 62 5.137 -7.690 0.924 1.00 0.00 H new ATOM 0 HD1 PHE A 62 5.248 -11.388 1.296 1.00 0.00 H new ATOM 0 HD2 PHE A 62 6.000 -8.054 -1.246 1.00 0.00 H new ATOM 0 HE1 PHE A 62 5.630 -12.914 -0.590 1.00 0.00 H new ATOM 0 HE2 PHE A 62 6.382 -9.577 -3.134 1.00 0.00 H new ATOM 0 HZ PHE A 62 6.196 -12.011 -2.811 1.00 0.00 H new ATOM 918 N ALA A 63 6.706 -6.196 2.656 1.00 0.00 N ATOM 919 CA ALA A 63 6.592 -4.962 3.423 1.00 0.00 C ATOM 920 C ALA A 63 6.212 -3.790 2.524 1.00 0.00 C ATOM 921 O ALA A 63 6.756 -3.633 1.431 1.00 0.00 O ATOM 922 CB ALA A 63 7.895 -4.671 4.152 1.00 0.00 C ATOM 0 H ALA A 63 7.043 -6.069 1.702 1.00 0.00 H new ATOM 0 HA ALA A 63 5.799 -5.093 4.159 1.00 0.00 H new ATOM 0 HB1 ALA A 63 7.795 -3.746 4.721 1.00 0.00 H new ATOM 0 HB2 ALA A 63 8.123 -5.492 4.832 1.00 0.00 H new ATOM 0 HB3 ALA A 63 8.702 -4.566 3.427 1.00 0.00 H new ATOM 928 N ILE A 64 5.276 -2.971 2.992 1.00 0.00 N ATOM 929 CA ILE A 64 4.825 -1.813 2.230 1.00 0.00 C ATOM 930 C ILE A 64 5.372 -0.519 2.821 1.00 0.00 C ATOM 931 O ILE A 64 4.971 -0.103 3.909 1.00 0.00 O ATOM 932 CB ILE A 64 3.288 -1.734 2.183 1.00 0.00 C ATOM 933 CG1 ILE A 64 2.728 -2.808 1.248 1.00 0.00 C ATOM 934 CG2 ILE A 64 2.842 -0.350 1.737 1.00 0.00 C ATOM 935 CD1 ILE A 64 1.366 -3.320 1.662 1.00 0.00 C ATOM 0 H ILE A 64 4.816 -3.088 3.895 1.00 0.00 H new ATOM 0 HA ILE A 64 5.205 -1.935 1.216 1.00 0.00 H new ATOM 0 HB ILE A 64 2.899 -1.914 3.185 1.00 0.00 H new ATOM 0 HG12 ILE A 64 2.663 -2.401 0.239 1.00 0.00 H new ATOM 0 HG13 ILE A 64 3.426 -3.645 1.210 1.00 0.00 H new ATOM 0 HG21 ILE A 64 1.753 -0.310 1.709 1.00 0.00 H new ATOM 0 HG22 ILE A 64 3.214 0.396 2.439 1.00 0.00 H new ATOM 0 HG23 ILE A 64 3.238 -0.143 0.743 1.00 0.00 H new ATOM 0 HD11 ILE A 64 1.032 -4.078 0.954 1.00 0.00 H new ATOM 0 HD12 ILE A 64 1.429 -3.757 2.659 1.00 0.00 H new ATOM 0 HD13 ILE A 64 0.655 -2.494 1.672 1.00 0.00 H new ATOM 947 N SER A 65 6.288 0.115 2.097 1.00 0.00 N ATOM 948 CA SER A 65 6.892 1.363 2.551 1.00 0.00 C ATOM 949 C SER A 65 6.455 2.530 1.671 1.00 0.00 C ATOM 950 O SER A 65 6.484 2.440 0.443 1.00 0.00 O ATOM 951 CB SER A 65 8.418 1.247 2.545 1.00 0.00 C ATOM 952 OG SER A 65 8.841 0.041 3.156 1.00 0.00 O ATOM 0 H SER A 65 6.629 -0.214 1.194 1.00 0.00 H new ATOM 0 HA SER A 65 6.553 1.553 3.569 1.00 0.00 H new ATOM 0 HB2 SER A 65 8.785 1.286 1.519 1.00 0.00 H new ATOM 0 HB3 SER A 65 8.852 2.097 3.072 1.00 0.00 H new ATOM 0 HG SER A 65 9.596 0.224 3.754 1.00 0.00 H new ATOM 958 N ILE A 66 6.052 3.624 2.308 1.00 0.00 N ATOM 959 CA ILE A 66 5.610 4.809 1.584 1.00 0.00 C ATOM 960 C ILE A 66 6.201 6.077 2.191 1.00 0.00 C ATOM 961 O ILE A 66 6.748 6.054 3.294 1.00 0.00 O ATOM 962 CB ILE A 66 4.074 4.925 1.577 1.00 0.00 C ATOM 963 CG1 ILE A 66 3.605 5.844 2.706 1.00 0.00 C ATOM 964 CG2 ILE A 66 3.439 3.549 1.708 1.00 0.00 C ATOM 965 CD1 ILE A 66 4.082 5.411 4.075 1.00 0.00 C ATOM 0 H ILE A 66 6.022 3.714 3.324 1.00 0.00 H new ATOM 0 HA ILE A 66 5.963 4.701 0.558 1.00 0.00 H new ATOM 0 HB ILE A 66 3.761 5.359 0.627 1.00 0.00 H new ATOM 0 HG12 ILE A 66 3.959 6.856 2.510 1.00 0.00 H new ATOM 0 HG13 ILE A 66 2.516 5.881 2.705 1.00 0.00 H new ATOM 0 HG21 ILE A 66 2.353 3.647 1.702 1.00 0.00 H new ATOM 0 HG22 ILE A 66 3.752 2.923 0.872 1.00 0.00 H new ATOM 0 HG23 ILE A 66 3.756 3.090 2.644 1.00 0.00 H new ATOM 0 HD11 ILE A 66 3.712 6.108 4.827 1.00 0.00 H new ATOM 0 HD12 ILE A 66 3.706 4.411 4.292 1.00 0.00 H new ATOM 0 HD13 ILE A 66 5.172 5.401 4.094 1.00 0.00 H new ATOM 977 N LYS A 67 6.086 7.184 1.465 1.00 0.00 N ATOM 978 CA LYS A 67 6.606 8.463 1.932 1.00 0.00 C ATOM 979 C LYS A 67 5.555 9.213 2.745 1.00 0.00 C ATOM 980 O LYS A 67 4.576 9.718 2.196 1.00 0.00 O ATOM 981 CB LYS A 67 7.053 9.319 0.745 1.00 0.00 C ATOM 982 CG LYS A 67 7.483 10.723 1.135 1.00 0.00 C ATOM 983 CD LYS A 67 8.701 10.701 2.044 1.00 0.00 C ATOM 984 CE LYS A 67 8.635 11.803 3.090 1.00 0.00 C ATOM 985 NZ LYS A 67 7.299 11.868 3.744 1.00 0.00 N ATOM 0 H LYS A 67 5.637 7.221 0.550 1.00 0.00 H new ATOM 0 HA LYS A 67 7.465 8.265 2.574 1.00 0.00 H new ATOM 0 HB2 LYS A 67 7.881 8.821 0.240 1.00 0.00 H new ATOM 0 HB3 LYS A 67 6.236 9.385 0.027 1.00 0.00 H new ATOM 0 HG2 LYS A 67 7.708 11.298 0.237 1.00 0.00 H new ATOM 0 HG3 LYS A 67 6.660 11.229 1.640 1.00 0.00 H new ATOM 0 HD2 LYS A 67 8.770 9.732 2.538 1.00 0.00 H new ATOM 0 HD3 LYS A 67 9.605 10.819 1.446 1.00 0.00 H new ATOM 0 HE2 LYS A 67 9.401 11.632 3.846 1.00 0.00 H new ATOM 0 HE3 LYS A 67 8.857 12.762 2.622 1.00 0.00 H new ATOM 0 HZ1 LYS A 67 7.027 12.863 3.880 1.00 0.00 H new ATOM 0 HZ2 LYS A 67 6.594 11.396 3.142 1.00 0.00 H new ATOM 0 HZ3 LYS A 67 7.341 11.391 4.667 1.00 0.00 H new ATOM 999 N TYR A 68 5.766 9.282 4.055 1.00 0.00 N ATOM 1000 CA TYR A 68 4.837 9.970 4.943 1.00 0.00 C ATOM 1001 C TYR A 68 5.578 10.630 6.102 1.00 0.00 C ATOM 1002 O TYR A 68 6.670 10.205 6.477 1.00 0.00 O ATOM 1003 CB TYR A 68 3.794 8.989 5.483 1.00 0.00 C ATOM 1004 CG TYR A 68 2.534 9.659 5.983 1.00 0.00 C ATOM 1005 CD1 TYR A 68 2.425 10.079 7.303 1.00 0.00 C ATOM 1006 CD2 TYR A 68 1.453 9.871 5.136 1.00 0.00 C ATOM 1007 CE1 TYR A 68 1.275 10.691 7.765 1.00 0.00 C ATOM 1008 CE2 TYR A 68 0.301 10.484 5.589 1.00 0.00 C ATOM 1009 CZ TYR A 68 0.217 10.892 6.904 1.00 0.00 C ATOM 1010 OH TYR A 68 -0.930 11.501 7.359 1.00 0.00 O ATOM 0 H TYR A 68 6.572 8.870 4.525 1.00 0.00 H new ATOM 0 HA TYR A 68 4.333 10.747 4.368 1.00 0.00 H new ATOM 0 HB2 TYR A 68 3.532 8.281 4.697 1.00 0.00 H new ATOM 0 HB3 TYR A 68 4.236 8.413 6.296 1.00 0.00 H new ATOM 0 HD1 TYR A 68 3.253 9.925 7.979 1.00 0.00 H new ATOM 0 HD2 TYR A 68 1.515 9.551 4.106 1.00 0.00 H new ATOM 0 HE1 TYR A 68 1.206 11.010 8.794 1.00 0.00 H new ATOM 0 HE2 TYR A 68 -0.530 10.643 4.917 1.00 0.00 H new ATOM 0 HH TYR A 68 -1.609 10.820 7.549 1.00 0.00 H new ATOM 1020 N ASN A 69 4.974 11.671 6.666 1.00 0.00 N ATOM 1021 CA ASN A 69 5.576 12.391 7.782 1.00 0.00 C ATOM 1022 C ASN A 69 7.024 12.759 7.475 1.00 0.00 C ATOM 1023 O ASN A 69 7.883 12.733 8.357 1.00 0.00 O ATOM 1024 CB ASN A 69 5.512 11.545 9.056 1.00 0.00 C ATOM 1025 CG ASN A 69 5.354 12.390 10.305 1.00 0.00 C ATOM 1026 OD1 ASN A 69 5.135 13.599 10.225 1.00 0.00 O ATOM 1027 ND2 ASN A 69 5.464 11.756 11.466 1.00 0.00 N ATOM 0 H ASN A 69 4.069 12.035 6.369 1.00 0.00 H new ATOM 0 HA ASN A 69 5.011 13.310 7.935 1.00 0.00 H new ATOM 0 HB2 ASN A 69 4.677 10.848 8.984 1.00 0.00 H new ATOM 0 HB3 ASN A 69 6.420 10.947 9.138 1.00 0.00 H new ATOM 0 HD21 ASN A 69 5.367 12.272 12.340 1.00 0.00 H new ATOM 0 HD22 ASN A 69 5.646 10.753 11.484 1.00 0.00 H new ATOM 1034 N VAL A 70 7.288 13.102 6.219 1.00 0.00 N ATOM 1035 CA VAL A 70 8.632 13.478 5.795 1.00 0.00 C ATOM 1036 C VAL A 70 9.627 12.355 6.065 1.00 0.00 C ATOM 1037 O VAL A 70 10.824 12.597 6.218 1.00 0.00 O ATOM 1038 CB VAL A 70 9.109 14.756 6.509 1.00 0.00 C ATOM 1039 CG1 VAL A 70 7.921 15.604 6.937 1.00 0.00 C ATOM 1040 CG2 VAL A 70 9.981 14.403 7.705 1.00 0.00 C ATOM 0 H VAL A 70 6.589 13.127 5.477 1.00 0.00 H new ATOM 0 HA VAL A 70 8.585 13.667 4.723 1.00 0.00 H new ATOM 0 HB VAL A 70 9.708 15.340 5.810 1.00 0.00 H new ATOM 0 HG11 VAL A 70 8.278 16.503 7.440 1.00 0.00 H new ATOM 0 HG12 VAL A 70 7.340 15.886 6.059 1.00 0.00 H new ATOM 0 HG13 VAL A 70 7.293 15.032 7.619 1.00 0.00 H new ATOM 0 HG21 VAL A 70 10.310 15.318 8.198 1.00 0.00 H new ATOM 0 HG22 VAL A 70 9.408 13.798 8.407 1.00 0.00 H new ATOM 0 HG23 VAL A 70 10.851 13.840 7.367 1.00 0.00 H new ATOM 1050 N GLU A 71 9.123 11.126 6.123 1.00 0.00 N ATOM 1051 CA GLU A 71 9.970 9.966 6.376 1.00 0.00 C ATOM 1052 C GLU A 71 9.430 8.732 5.657 1.00 0.00 C ATOM 1053 O GLU A 71 8.227 8.610 5.428 1.00 0.00 O ATOM 1054 CB GLU A 71 10.064 9.693 7.878 1.00 0.00 C ATOM 1055 CG GLU A 71 8.737 9.824 8.605 1.00 0.00 C ATOM 1056 CD GLU A 71 8.906 9.997 10.103 1.00 0.00 C ATOM 1057 OE1 GLU A 71 9.462 9.083 10.746 1.00 0.00 O ATOM 1058 OE2 GLU A 71 8.482 11.047 10.630 1.00 0.00 O ATOM 0 H GLU A 71 8.134 10.908 5.998 1.00 0.00 H new ATOM 0 HA GLU A 71 10.966 10.184 5.991 1.00 0.00 H new ATOM 0 HB2 GLU A 71 10.455 8.687 8.032 1.00 0.00 H new ATOM 0 HB3 GLU A 71 10.781 10.385 8.320 1.00 0.00 H new ATOM 0 HG2 GLU A 71 8.190 10.677 8.204 1.00 0.00 H new ATOM 0 HG3 GLU A 71 8.132 8.938 8.411 1.00 0.00 H new ATOM 1065 N VAL A 72 10.330 7.820 5.303 1.00 0.00 N ATOM 1066 CA VAL A 72 9.946 6.596 4.611 1.00 0.00 C ATOM 1067 C VAL A 72 9.549 5.506 5.601 1.00 0.00 C ATOM 1068 O VAL A 72 10.395 4.759 6.092 1.00 0.00 O ATOM 1069 CB VAL A 72 11.088 6.073 3.720 1.00 0.00 C ATOM 1070 CG1 VAL A 72 10.641 4.843 2.945 1.00 0.00 C ATOM 1071 CG2 VAL A 72 11.568 7.164 2.775 1.00 0.00 C ATOM 0 H VAL A 72 11.330 7.906 5.484 1.00 0.00 H new ATOM 0 HA VAL A 72 9.089 6.843 3.984 1.00 0.00 H new ATOM 0 HB VAL A 72 11.922 5.785 4.360 1.00 0.00 H new ATOM 0 HG11 VAL A 72 11.461 4.488 2.321 1.00 0.00 H new ATOM 0 HG12 VAL A 72 10.351 4.058 3.644 1.00 0.00 H new ATOM 0 HG13 VAL A 72 9.790 5.100 2.314 1.00 0.00 H new ATOM 0 HG21 VAL A 72 12.375 6.777 2.153 1.00 0.00 H new ATOM 0 HG22 VAL A 72 10.742 7.485 2.140 1.00 0.00 H new ATOM 0 HG23 VAL A 72 11.931 8.013 3.354 1.00 0.00 H new ATOM 1081 N LYS A 73 8.255 5.421 5.890 1.00 0.00 N ATOM 1082 CA LYS A 73 7.743 4.422 6.821 1.00 0.00 C ATOM 1083 C LYS A 73 7.548 3.079 6.124 1.00 0.00 C ATOM 1084 O LYS A 73 7.322 3.055 4.915 1.00 0.00 O ATOM 1085 CB LYS A 73 6.418 4.890 7.426 1.00 0.00 C ATOM 1086 CG LYS A 73 6.383 6.377 7.736 1.00 0.00 C ATOM 1087 CD LYS A 73 6.922 6.670 9.126 1.00 0.00 C ATOM 1088 CE LYS A 73 6.152 7.799 9.796 1.00 0.00 C ATOM 1089 NZ LYS A 73 6.379 7.828 11.267 1.00 0.00 N ATOM 0 H LYS A 73 7.541 6.032 5.493 1.00 0.00 H new ATOM 0 HA LYS A 73 8.475 4.296 7.618 1.00 0.00 H new ATOM 0 HB2 LYS A 73 5.609 4.652 6.736 1.00 0.00 H new ATOM 0 HB3 LYS A 73 6.229 4.332 8.343 1.00 0.00 H new ATOM 0 HG2 LYS A 73 6.972 6.918 6.995 1.00 0.00 H new ATOM 0 HG3 LYS A 73 5.359 6.742 7.658 1.00 0.00 H new ATOM 0 HD2 LYS A 73 6.859 5.771 9.739 1.00 0.00 H new ATOM 0 HD3 LYS A 73 7.977 6.937 9.060 1.00 0.00 H new ATOM 0 HE2 LYS A 73 6.455 8.752 9.363 1.00 0.00 H new ATOM 0 HE3 LYS A 73 5.087 7.682 9.595 1.00 0.00 H new ATOM 0 HZ1 LYS A 73 5.838 8.611 11.686 1.00 0.00 H new ATOM 0 HZ2 LYS A 73 6.067 6.928 11.684 1.00 0.00 H new ATOM 0 HZ3 LYS A 73 7.392 7.966 11.459 1.00 0.00 H new ATOM 1103 N HIS A 74 7.638 2.003 6.892 1.00 0.00 N ATOM 1104 CA HIS A 74 7.468 0.671 6.336 1.00 0.00 C ATOM 1105 C HIS A 74 6.308 -0.036 7.041 1.00 0.00 C ATOM 1106 O HIS A 74 5.984 0.237 8.197 1.00 0.00 O ATOM 1107 CB HIS A 74 8.777 -0.119 6.410 1.00 0.00 C ATOM 1108 CG HIS A 74 10.015 0.723 6.215 1.00 0.00 C ATOM 1109 ND1 HIS A 74 10.572 0.958 4.970 1.00 0.00 N ATOM 1110 CD2 HIS A 74 10.796 1.382 7.117 1.00 0.00 C ATOM 1111 CE1 HIS A 74 11.640 1.726 5.128 1.00 0.00 C ATOM 1112 NE2 HIS A 74 11.778 1.987 6.460 1.00 0.00 N ATOM 0 H HIS A 74 7.826 2.026 7.894 1.00 0.00 H new ATOM 0 HA HIS A 74 7.214 0.744 5.279 1.00 0.00 H new ATOM 0 HB2 HIS A 74 8.836 -0.614 7.379 1.00 0.00 H new ATOM 0 HB3 HIS A 74 8.760 -0.902 5.652 1.00 0.00 H new ATOM 0 HD2 HIS A 74 10.642 1.408 8.186 1.00 0.00 H new ATOM 0 HE1 HIS A 74 12.288 2.083 4.341 1.00 0.00 H new ATOM 0 HE2 HIS A 74 12.514 2.553 6.881 1.00 0.00 H new ATOM 1120 N ILE A 75 5.687 -0.957 6.312 1.00 0.00 N ATOM 1121 CA ILE A 75 4.562 -1.718 6.843 1.00 0.00 C ATOM 1122 C ILE A 75 4.819 -3.218 6.746 1.00 0.00 C ATOM 1123 O ILE A 75 5.011 -3.757 5.656 1.00 0.00 O ATOM 1124 CB ILE A 75 3.255 -1.383 6.099 1.00 0.00 C ATOM 1125 CG1 ILE A 75 3.099 0.132 5.954 1.00 0.00 C ATOM 1126 CG2 ILE A 75 2.062 -1.977 6.833 1.00 0.00 C ATOM 1127 CD1 ILE A 75 2.459 0.791 7.156 1.00 0.00 C ATOM 0 H ILE A 75 5.943 -1.194 5.354 1.00 0.00 H new ATOM 0 HA ILE A 75 4.456 -1.437 7.891 1.00 0.00 H new ATOM 0 HB ILE A 75 3.298 -1.821 5.102 1.00 0.00 H new ATOM 0 HG12 ILE A 75 4.080 0.576 5.786 1.00 0.00 H new ATOM 0 HG13 ILE A 75 2.498 0.344 5.070 1.00 0.00 H new ATOM 0 HG21 ILE A 75 1.146 -1.732 6.296 1.00 0.00 H new ATOM 0 HG22 ILE A 75 2.172 -3.060 6.889 1.00 0.00 H new ATOM 0 HG23 ILE A 75 2.013 -1.565 7.841 1.00 0.00 H new ATOM 0 HD11 ILE A 75 2.380 1.864 6.983 1.00 0.00 H new ATOM 0 HD12 ILE A 75 1.464 0.374 7.312 1.00 0.00 H new ATOM 0 HD13 ILE A 75 3.071 0.610 8.039 1.00 0.00 H new ATOM 1139 N LYS A 76 4.820 -3.888 7.893 1.00 0.00 N ATOM 1140 CA LYS A 76 5.050 -5.327 7.940 1.00 0.00 C ATOM 1141 C LYS A 76 3.831 -6.089 7.432 1.00 0.00 C ATOM 1142 O LYS A 76 2.735 -5.959 7.978 1.00 0.00 O ATOM 1143 CB LYS A 76 5.381 -5.765 9.368 1.00 0.00 C ATOM 1144 CG LYS A 76 5.257 -7.263 9.588 1.00 0.00 C ATOM 1145 CD LYS A 76 5.908 -7.690 10.894 1.00 0.00 C ATOM 1146 CE LYS A 76 6.442 -9.112 10.811 1.00 0.00 C ATOM 1147 NZ LYS A 76 7.781 -9.165 10.161 1.00 0.00 N ATOM 0 H LYS A 76 4.664 -3.457 8.804 1.00 0.00 H new ATOM 0 HA LYS A 76 5.896 -5.556 7.292 1.00 0.00 H new ATOM 0 HB2 LYS A 76 6.398 -5.454 9.608 1.00 0.00 H new ATOM 0 HB3 LYS A 76 4.717 -5.248 10.061 1.00 0.00 H new ATOM 0 HG2 LYS A 76 4.204 -7.545 9.596 1.00 0.00 H new ATOM 0 HG3 LYS A 76 5.723 -7.794 8.758 1.00 0.00 H new ATOM 0 HD2 LYS A 76 6.723 -7.008 11.136 1.00 0.00 H new ATOM 0 HD3 LYS A 76 5.182 -7.619 11.704 1.00 0.00 H new ATOM 0 HE2 LYS A 76 6.508 -9.534 11.814 1.00 0.00 H new ATOM 0 HE3 LYS A 76 5.741 -9.731 10.250 1.00 0.00 H new ATOM 0 HZ1 LYS A 76 8.110 -10.151 10.124 1.00 0.00 H new ATOM 0 HZ2 LYS A 76 7.713 -8.786 9.195 1.00 0.00 H new ATOM 0 HZ3 LYS A 76 8.456 -8.595 10.710 1.00 0.00 H new ATOM 1161 N ILE A 77 4.029 -6.885 6.387 1.00 0.00 N ATOM 1162 CA ILE A 77 2.946 -7.670 5.808 1.00 0.00 C ATOM 1163 C ILE A 77 2.959 -9.100 6.338 1.00 0.00 C ATOM 1164 O ILE A 77 3.982 -9.783 6.285 1.00 0.00 O ATOM 1165 CB ILE A 77 3.033 -7.703 4.271 1.00 0.00 C ATOM 1166 CG1 ILE A 77 3.056 -6.280 3.709 1.00 0.00 C ATOM 1167 CG2 ILE A 77 1.867 -8.489 3.691 1.00 0.00 C ATOM 1168 CD1 ILE A 77 3.296 -6.224 2.216 1.00 0.00 C ATOM 0 H ILE A 77 4.930 -7.003 5.924 1.00 0.00 H new ATOM 0 HA ILE A 77 2.014 -7.185 6.100 1.00 0.00 H new ATOM 0 HB ILE A 77 3.959 -8.201 3.985 1.00 0.00 H new ATOM 0 HG12 ILE A 77 2.107 -5.793 3.935 1.00 0.00 H new ATOM 0 HG13 ILE A 77 3.835 -5.710 4.216 1.00 0.00 H new ATOM 0 HG21 ILE A 77 1.943 -8.503 2.604 1.00 0.00 H new ATOM 0 HG22 ILE A 77 1.893 -9.511 4.070 1.00 0.00 H new ATOM 0 HG23 ILE A 77 0.929 -8.017 3.983 1.00 0.00 H new ATOM 0 HD11 ILE A 77 3.300 -5.185 1.887 1.00 0.00 H new ATOM 0 HD12 ILE A 77 4.258 -6.681 1.985 1.00 0.00 H new ATOM 0 HD13 ILE A 77 2.503 -6.765 1.700 1.00 0.00 H new ATOM 1180 N MET A 78 1.816 -9.547 6.848 1.00 0.00 N ATOM 1181 CA MET A 78 1.696 -10.898 7.385 1.00 0.00 C ATOM 1182 C MET A 78 0.968 -11.810 6.403 1.00 0.00 C ATOM 1183 O MET A 78 0.189 -11.347 5.568 1.00 0.00 O ATOM 1184 CB MET A 78 0.955 -10.873 8.723 1.00 0.00 C ATOM 1185 CG MET A 78 1.439 -9.784 9.666 1.00 0.00 C ATOM 1186 SD MET A 78 1.266 -10.241 11.402 1.00 0.00 S ATOM 1187 CE MET A 78 -0.421 -9.730 11.720 1.00 0.00 C ATOM 0 H MET A 78 0.960 -8.994 6.901 1.00 0.00 H new ATOM 0 HA MET A 78 2.700 -11.291 7.542 1.00 0.00 H new ATOM 0 HB2 MET A 78 -0.110 -10.734 8.537 1.00 0.00 H new ATOM 0 HB3 MET A 78 1.069 -11.841 9.210 1.00 0.00 H new ATOM 0 HG2 MET A 78 2.486 -9.565 9.455 1.00 0.00 H new ATOM 0 HG3 MET A 78 0.877 -8.869 9.477 1.00 0.00 H new ATOM 0 HE1 MET A 78 -0.785 -10.220 12.623 1.00 0.00 H new ATOM 0 HE2 MET A 78 -0.454 -8.649 11.855 1.00 0.00 H new ATOM 0 HE3 MET A 78 -1.051 -10.010 10.876 1.00 0.00 H new ATOM 1197 N THR A 79 1.225 -13.110 6.507 1.00 0.00 N ATOM 1198 CA THR A 79 0.595 -14.087 5.628 1.00 0.00 C ATOM 1199 C THR A 79 -0.017 -15.232 6.427 1.00 0.00 C ATOM 1200 O THR A 79 0.571 -15.708 7.397 1.00 0.00 O ATOM 1201 CB THR A 79 1.603 -14.664 4.616 1.00 0.00 C ATOM 1202 OG1 THR A 79 2.907 -14.724 5.203 1.00 0.00 O ATOM 1203 CG2 THR A 79 1.648 -13.815 3.354 1.00 0.00 C ATOM 0 H THR A 79 1.866 -13.511 7.192 1.00 0.00 H new ATOM 0 HA THR A 79 -0.193 -13.563 5.087 1.00 0.00 H new ATOM 0 HB THR A 79 1.280 -15.670 4.348 1.00 0.00 H new ATOM 0 HG1 THR A 79 3.541 -15.093 4.554 1.00 0.00 H new ATOM 0 HG21 THR A 79 2.366 -14.242 2.654 1.00 0.00 H new ATOM 0 HG22 THR A 79 0.660 -13.795 2.893 1.00 0.00 H new ATOM 0 HG23 THR A 79 1.950 -12.799 3.609 1.00 0.00 H new ATOM 1211 N ALA A 80 -1.202 -15.669 6.013 1.00 0.00 N ATOM 1212 CA ALA A 80 -1.892 -16.761 6.689 1.00 0.00 C ATOM 1213 C ALA A 80 -2.961 -17.374 5.791 1.00 0.00 C ATOM 1214 O ALA A 80 -3.821 -16.669 5.265 1.00 0.00 O ATOM 1215 CB ALA A 80 -2.511 -16.269 7.989 1.00 0.00 C ATOM 0 H ALA A 80 -1.704 -15.284 5.213 1.00 0.00 H new ATOM 0 HA ALA A 80 -1.159 -17.535 6.918 1.00 0.00 H new ATOM 0 HB1 ALA A 80 -3.023 -17.094 8.483 1.00 0.00 H new ATOM 0 HB2 ALA A 80 -1.728 -15.884 8.642 1.00 0.00 H new ATOM 0 HB3 ALA A 80 -3.226 -15.475 7.774 1.00 0.00 H new ATOM 1221 N GLU A 81 -2.900 -18.691 5.620 1.00 0.00 N ATOM 1222 CA GLU A 81 -3.863 -19.398 4.784 1.00 0.00 C ATOM 1223 C GLU A 81 -3.709 -18.997 3.320 1.00 0.00 C ATOM 1224 O GLU A 81 -4.653 -19.091 2.536 1.00 0.00 O ATOM 1225 CB GLU A 81 -5.289 -19.110 5.256 1.00 0.00 C ATOM 1226 CG GLU A 81 -5.433 -19.065 6.768 1.00 0.00 C ATOM 1227 CD GLU A 81 -6.879 -18.983 7.215 1.00 0.00 C ATOM 1228 OE1 GLU A 81 -7.724 -19.683 6.618 1.00 0.00 O ATOM 1229 OE2 GLU A 81 -7.167 -18.219 8.159 1.00 0.00 O ATOM 0 H GLU A 81 -2.194 -19.289 6.049 1.00 0.00 H new ATOM 0 HA GLU A 81 -3.668 -20.467 4.873 1.00 0.00 H new ATOM 0 HB2 GLU A 81 -5.615 -18.157 4.840 1.00 0.00 H new ATOM 0 HB3 GLU A 81 -5.956 -19.875 4.859 1.00 0.00 H new ATOM 0 HG2 GLU A 81 -4.973 -19.954 7.199 1.00 0.00 H new ATOM 0 HG3 GLU A 81 -4.888 -18.204 7.155 1.00 0.00 H new ATOM 1236 N GLY A 82 -2.511 -18.548 2.957 1.00 0.00 N ATOM 1237 CA GLY A 82 -2.255 -18.138 1.589 1.00 0.00 C ATOM 1238 C GLY A 82 -2.742 -16.731 1.304 1.00 0.00 C ATOM 1239 O GLY A 82 -2.869 -16.333 0.145 1.00 0.00 O ATOM 0 H GLY A 82 -1.713 -18.461 3.587 1.00 0.00 H new ATOM 0 HA2 GLY A 82 -1.185 -18.196 1.390 1.00 0.00 H new ATOM 0 HA3 GLY A 82 -2.744 -18.833 0.907 1.00 0.00 H new ATOM 1243 N LEU A 83 -3.018 -15.977 2.362 1.00 0.00 N ATOM 1244 CA LEU A 83 -3.496 -14.606 2.220 1.00 0.00 C ATOM 1245 C LEU A 83 -2.437 -13.609 2.680 1.00 0.00 C ATOM 1246 O LEU A 83 -1.466 -13.980 3.340 1.00 0.00 O ATOM 1247 CB LEU A 83 -4.782 -14.408 3.025 1.00 0.00 C ATOM 1248 CG LEU A 83 -5.906 -15.408 2.751 1.00 0.00 C ATOM 1249 CD1 LEU A 83 -6.793 -15.564 3.976 1.00 0.00 C ATOM 1250 CD2 LEU A 83 -6.728 -14.970 1.547 1.00 0.00 C ATOM 0 H LEU A 83 -2.919 -16.291 3.327 1.00 0.00 H new ATOM 0 HA LEU A 83 -3.703 -14.427 1.165 1.00 0.00 H new ATOM 0 HB2 LEU A 83 -4.534 -14.453 4.085 1.00 0.00 H new ATOM 0 HB3 LEU A 83 -5.159 -13.405 2.828 1.00 0.00 H new ATOM 0 HG LEU A 83 -5.458 -16.376 2.527 1.00 0.00 H new ATOM 0 HD11 LEU A 83 -7.587 -16.279 3.762 1.00 0.00 H new ATOM 0 HD12 LEU A 83 -6.196 -15.924 4.814 1.00 0.00 H new ATOM 0 HD13 LEU A 83 -7.233 -14.600 4.232 1.00 0.00 H new ATOM 0 HD21 LEU A 83 -7.523 -15.693 1.367 1.00 0.00 H new ATOM 0 HD22 LEU A 83 -7.165 -13.991 1.742 1.00 0.00 H new ATOM 0 HD23 LEU A 83 -6.085 -14.912 0.669 1.00 0.00 H new ATOM 1262 N TYR A 84 -2.632 -12.343 2.329 1.00 0.00 N ATOM 1263 CA TYR A 84 -1.693 -11.293 2.706 1.00 0.00 C ATOM 1264 C TYR A 84 -2.407 -10.161 3.439 1.00 0.00 C ATOM 1265 O TYR A 84 -3.402 -9.622 2.953 1.00 0.00 O ATOM 1266 CB TYR A 84 -0.985 -10.745 1.466 1.00 0.00 C ATOM 1267 CG TYR A 84 -0.107 -11.761 0.771 1.00 0.00 C ATOM 1268 CD1 TYR A 84 -0.657 -12.732 -0.058 1.00 0.00 C ATOM 1269 CD2 TYR A 84 1.272 -11.752 0.944 1.00 0.00 C ATOM 1270 CE1 TYR A 84 0.141 -13.663 -0.694 1.00 0.00 C ATOM 1271 CE2 TYR A 84 2.077 -12.678 0.311 1.00 0.00 C ATOM 1272 CZ TYR A 84 1.507 -13.632 -0.507 1.00 0.00 C ATOM 1273 OH TYR A 84 2.306 -14.557 -1.139 1.00 0.00 O ATOM 0 H TYR A 84 -3.431 -12.019 1.784 1.00 0.00 H new ATOM 0 HA TYR A 84 -0.952 -11.727 3.378 1.00 0.00 H new ATOM 0 HB2 TYR A 84 -1.733 -10.382 0.762 1.00 0.00 H new ATOM 0 HB3 TYR A 84 -0.376 -9.888 1.755 1.00 0.00 H new ATOM 0 HD1 TYR A 84 -1.726 -12.759 -0.207 1.00 0.00 H new ATOM 0 HD2 TYR A 84 1.722 -11.008 1.585 1.00 0.00 H new ATOM 0 HE1 TYR A 84 -0.302 -14.411 -1.334 1.00 0.00 H new ATOM 0 HE2 TYR A 84 3.147 -12.656 0.455 1.00 0.00 H new ATOM 0 HH TYR A 84 3.243 -14.396 -0.902 1.00 0.00 H new ATOM 1283 N ARG A 85 -1.891 -9.806 4.611 1.00 0.00 N ATOM 1284 CA ARG A 85 -2.478 -8.740 5.413 1.00 0.00 C ATOM 1285 C ARG A 85 -1.488 -8.238 6.459 1.00 0.00 C ATOM 1286 O ARG A 85 -0.903 -9.026 7.203 1.00 0.00 O ATOM 1287 CB ARG A 85 -3.755 -9.231 6.098 1.00 0.00 C ATOM 1288 CG ARG A 85 -3.643 -10.641 6.656 1.00 0.00 C ATOM 1289 CD ARG A 85 -4.761 -10.940 7.642 1.00 0.00 C ATOM 1290 NE ARG A 85 -4.623 -12.265 8.241 1.00 0.00 N ATOM 1291 CZ ARG A 85 -5.640 -12.952 8.747 1.00 0.00 C ATOM 1292 NH1 ARG A 85 -6.864 -12.443 8.727 1.00 0.00 N ATOM 1293 NH2 ARG A 85 -5.434 -14.152 9.275 1.00 0.00 N ATOM 0 H ARG A 85 -1.067 -10.241 5.026 1.00 0.00 H new ATOM 0 HA ARG A 85 -2.726 -7.914 4.747 1.00 0.00 H new ATOM 0 HB2 ARG A 85 -4.008 -8.548 6.908 1.00 0.00 H new ATOM 0 HB3 ARG A 85 -4.577 -9.196 5.383 1.00 0.00 H new ATOM 0 HG2 ARG A 85 -3.675 -11.361 5.838 1.00 0.00 H new ATOM 0 HG3 ARG A 85 -2.679 -10.763 7.150 1.00 0.00 H new ATOM 0 HD2 ARG A 85 -4.762 -10.185 8.428 1.00 0.00 H new ATOM 0 HD3 ARG A 85 -5.722 -10.871 7.132 1.00 0.00 H new ATOM 0 HE ARG A 85 -3.694 -12.686 8.272 1.00 0.00 H new ATOM 0 HH11 ARG A 85 -7.026 -11.521 8.322 1.00 0.00 H new ATOM 0 HH12 ARG A 85 -7.643 -12.973 9.117 1.00 0.00 H new ATOM 0 HH21 ARG A 85 -4.494 -14.547 9.292 1.00 0.00 H new ATOM 0 HH22 ARG A 85 -6.216 -14.679 9.664 1.00 0.00 H new ATOM 1307 N ILE A 86 -1.305 -6.923 6.510 1.00 0.00 N ATOM 1308 CA ILE A 86 -0.386 -6.317 7.466 1.00 0.00 C ATOM 1309 C ILE A 86 -0.909 -6.449 8.892 1.00 0.00 C ATOM 1310 O ILE A 86 -0.153 -6.328 9.857 1.00 0.00 O ATOM 1311 CB ILE A 86 -0.151 -4.827 7.153 1.00 0.00 C ATOM 1312 CG1 ILE A 86 -1.430 -4.024 7.398 1.00 0.00 C ATOM 1313 CG2 ILE A 86 0.322 -4.655 5.718 1.00 0.00 C ATOM 1314 CD1 ILE A 86 -1.175 -2.604 7.852 1.00 0.00 C ATOM 0 H ILE A 86 -1.780 -6.257 5.901 1.00 0.00 H new ATOM 0 HA ILE A 86 0.559 -6.852 7.378 1.00 0.00 H new ATOM 0 HB ILE A 86 0.626 -4.450 7.818 1.00 0.00 H new ATOM 0 HG12 ILE A 86 -2.018 -4.003 6.480 1.00 0.00 H new ATOM 0 HG13 ILE A 86 -2.031 -4.535 8.150 1.00 0.00 H new ATOM 0 HG21 ILE A 86 0.484 -3.597 5.513 1.00 0.00 H new ATOM 0 HG22 ILE A 86 1.256 -5.199 5.575 1.00 0.00 H new ATOM 0 HG23 ILE A 86 -0.434 -5.046 5.037 1.00 0.00 H new ATOM 0 HD11 ILE A 86 -2.126 -2.095 8.006 1.00 0.00 H new ATOM 0 HD12 ILE A 86 -0.614 -2.616 8.787 1.00 0.00 H new ATOM 0 HD13 ILE A 86 -0.600 -2.076 7.091 1.00 0.00 H new ATOM 1326 N THR A 87 -2.208 -6.700 9.019 1.00 0.00 N ATOM 1327 CA THR A 87 -2.833 -6.850 10.327 1.00 0.00 C ATOM 1328 C THR A 87 -3.911 -7.928 10.301 1.00 0.00 C ATOM 1329 O THR A 87 -4.518 -8.186 9.262 1.00 0.00 O ATOM 1330 CB THR A 87 -3.459 -5.526 10.806 1.00 0.00 C ATOM 1331 OG1 THR A 87 -4.127 -5.724 12.057 1.00 0.00 O ATOM 1332 CG2 THR A 87 -4.444 -4.990 9.778 1.00 0.00 C ATOM 0 H THR A 87 -2.848 -6.804 8.232 1.00 0.00 H new ATOM 0 HA THR A 87 -2.046 -7.144 11.021 1.00 0.00 H new ATOM 0 HB THR A 87 -2.659 -4.797 10.934 1.00 0.00 H new ATOM 0 HG1 THR A 87 -4.521 -4.878 12.355 1.00 0.00 H new ATOM 0 HG21 THR A 87 -4.873 -4.055 10.138 1.00 0.00 H new ATOM 0 HG22 THR A 87 -3.926 -4.812 8.836 1.00 0.00 H new ATOM 0 HG23 THR A 87 -5.240 -5.718 9.623 1.00 0.00 H new ATOM 1340 N GLU A 88 -4.144 -8.553 11.451 1.00 0.00 N ATOM 1341 CA GLU A 88 -5.150 -9.603 11.558 1.00 0.00 C ATOM 1342 C GLU A 88 -6.555 -9.009 11.605 1.00 0.00 C ATOM 1343 O GLU A 88 -7.371 -9.380 12.449 1.00 0.00 O ATOM 1344 CB GLU A 88 -4.901 -10.453 12.806 1.00 0.00 C ATOM 1345 CG GLU A 88 -5.029 -9.676 14.106 1.00 0.00 C ATOM 1346 CD GLU A 88 -5.453 -10.551 15.269 1.00 0.00 C ATOM 1347 OE1 GLU A 88 -6.670 -10.781 15.427 1.00 0.00 O ATOM 1348 OE2 GLU A 88 -4.566 -11.007 16.021 1.00 0.00 O ATOM 0 H GLU A 88 -3.650 -8.351 12.320 1.00 0.00 H new ATOM 0 HA GLU A 88 -5.072 -10.236 10.674 1.00 0.00 H new ATOM 0 HB2 GLU A 88 -5.608 -11.283 12.817 1.00 0.00 H new ATOM 0 HB3 GLU A 88 -3.902 -10.886 12.748 1.00 0.00 H new ATOM 0 HG2 GLU A 88 -4.074 -9.206 14.339 1.00 0.00 H new ATOM 0 HG3 GLU A 88 -5.756 -8.874 13.976 1.00 0.00 H new ATOM 1355 N LYS A 89 -6.830 -8.083 10.693 1.00 0.00 N ATOM 1356 CA LYS A 89 -8.135 -7.436 10.628 1.00 0.00 C ATOM 1357 C LYS A 89 -8.889 -7.858 9.371 1.00 0.00 C ATOM 1358 O LYS A 89 -10.113 -7.989 9.383 1.00 0.00 O ATOM 1359 CB LYS A 89 -7.975 -5.915 10.653 1.00 0.00 C ATOM 1360 CG LYS A 89 -7.686 -5.356 12.036 1.00 0.00 C ATOM 1361 CD LYS A 89 -8.965 -4.982 12.764 1.00 0.00 C ATOM 1362 CE LYS A 89 -8.727 -3.869 13.773 1.00 0.00 C ATOM 1363 NZ LYS A 89 -8.893 -2.521 13.162 1.00 0.00 N ATOM 0 H LYS A 89 -6.166 -7.763 9.988 1.00 0.00 H new ATOM 0 HA LYS A 89 -8.712 -7.749 11.499 1.00 0.00 H new ATOM 0 HB2 LYS A 89 -7.166 -5.632 9.980 1.00 0.00 H new ATOM 0 HB3 LYS A 89 -8.885 -5.456 10.268 1.00 0.00 H new ATOM 0 HG2 LYS A 89 -7.136 -6.094 12.620 1.00 0.00 H new ATOM 0 HG3 LYS A 89 -7.046 -4.478 11.948 1.00 0.00 H new ATOM 0 HD2 LYS A 89 -9.717 -4.665 12.041 1.00 0.00 H new ATOM 0 HD3 LYS A 89 -9.364 -5.858 13.275 1.00 0.00 H new ATOM 0 HE2 LYS A 89 -9.422 -3.979 14.605 1.00 0.00 H new ATOM 0 HE3 LYS A 89 -7.721 -3.960 14.184 1.00 0.00 H new ATOM 0 HZ1 LYS A 89 -8.529 -1.797 13.814 1.00 0.00 H new ATOM 0 HZ2 LYS A 89 -8.365 -2.478 12.267 1.00 0.00 H new ATOM 0 HZ3 LYS A 89 -9.901 -2.345 12.977 1.00 0.00 H new ATOM 1377 N LYS A 90 -8.151 -8.070 8.286 1.00 0.00 N ATOM 1378 CA LYS A 90 -8.749 -8.479 7.021 1.00 0.00 C ATOM 1379 C LYS A 90 -7.691 -9.038 6.075 1.00 0.00 C ATOM 1380 O LYS A 90 -6.703 -8.371 5.770 1.00 0.00 O ATOM 1381 CB LYS A 90 -9.462 -7.296 6.364 1.00 0.00 C ATOM 1382 CG LYS A 90 -9.894 -7.565 4.932 1.00 0.00 C ATOM 1383 CD LYS A 90 -11.264 -8.220 4.877 1.00 0.00 C ATOM 1384 CE LYS A 90 -12.010 -7.845 3.605 1.00 0.00 C ATOM 1385 NZ LYS A 90 -12.967 -8.907 3.191 1.00 0.00 N ATOM 0 H LYS A 90 -7.137 -7.965 8.258 1.00 0.00 H new ATOM 0 HA LYS A 90 -9.477 -9.264 7.229 1.00 0.00 H new ATOM 0 HB2 LYS A 90 -10.339 -7.037 6.957 1.00 0.00 H new ATOM 0 HB3 LYS A 90 -8.800 -6.430 6.378 1.00 0.00 H new ATOM 0 HG2 LYS A 90 -9.915 -6.628 4.375 1.00 0.00 H new ATOM 0 HG3 LYS A 90 -9.162 -8.209 4.445 1.00 0.00 H new ATOM 0 HD2 LYS A 90 -11.153 -9.303 4.929 1.00 0.00 H new ATOM 0 HD3 LYS A 90 -11.849 -7.917 5.746 1.00 0.00 H new ATOM 0 HE2 LYS A 90 -12.549 -6.911 3.762 1.00 0.00 H new ATOM 0 HE3 LYS A 90 -11.294 -7.668 2.802 1.00 0.00 H new ATOM 0 HZ1 LYS A 90 -13.455 -8.614 2.321 1.00 0.00 H new ATOM 0 HZ2 LYS A 90 -12.449 -9.792 3.016 1.00 0.00 H new ATOM 0 HZ3 LYS A 90 -13.666 -9.058 3.946 1.00 0.00 H new ATOM 1399 N ALA A 91 -7.905 -10.266 5.614 1.00 0.00 N ATOM 1400 CA ALA A 91 -6.972 -10.913 4.700 1.00 0.00 C ATOM 1401 C ALA A 91 -7.510 -10.909 3.273 1.00 0.00 C ATOM 1402 O ALA A 91 -8.721 -10.905 3.055 1.00 0.00 O ATOM 1403 CB ALA A 91 -6.688 -12.337 5.155 1.00 0.00 C ATOM 0 H ALA A 91 -8.717 -10.833 5.859 1.00 0.00 H new ATOM 0 HA ALA A 91 -6.040 -10.348 4.711 1.00 0.00 H new ATOM 0 HB1 ALA A 91 -5.990 -12.808 4.463 1.00 0.00 H new ATOM 0 HB2 ALA A 91 -6.253 -12.320 6.154 1.00 0.00 H new ATOM 0 HB3 ALA A 91 -7.618 -12.905 5.174 1.00 0.00 H new ATOM 1409 N PHE A 92 -6.601 -10.909 2.303 1.00 0.00 N ATOM 1410 CA PHE A 92 -6.984 -10.904 0.896 1.00 0.00 C ATOM 1411 C PHE A 92 -6.245 -11.995 0.127 1.00 0.00 C ATOM 1412 O PHE A 92 -5.289 -12.585 0.630 1.00 0.00 O ATOM 1413 CB PHE A 92 -6.692 -9.538 0.271 1.00 0.00 C ATOM 1414 CG PHE A 92 -7.303 -8.391 1.025 1.00 0.00 C ATOM 1415 CD1 PHE A 92 -6.868 -8.074 2.302 1.00 0.00 C ATOM 1416 CD2 PHE A 92 -8.312 -7.630 0.457 1.00 0.00 C ATOM 1417 CE1 PHE A 92 -7.429 -7.020 2.998 1.00 0.00 C ATOM 1418 CE2 PHE A 92 -8.876 -6.574 1.148 1.00 0.00 C ATOM 1419 CZ PHE A 92 -8.433 -6.268 2.420 1.00 0.00 C ATOM 0 H PHE A 92 -5.594 -10.912 2.466 1.00 0.00 H new ATOM 0 HA PHE A 92 -8.054 -11.103 0.836 1.00 0.00 H new ATOM 0 HB2 PHE A 92 -5.613 -9.394 0.219 1.00 0.00 H new ATOM 0 HB3 PHE A 92 -7.065 -9.529 -0.753 1.00 0.00 H new ATOM 0 HD1 PHE A 92 -6.082 -8.657 2.758 1.00 0.00 H new ATOM 0 HD2 PHE A 92 -8.662 -7.865 -0.537 1.00 0.00 H new ATOM 0 HE1 PHE A 92 -7.082 -6.784 3.993 1.00 0.00 H new ATOM 0 HE2 PHE A 92 -9.662 -5.989 0.694 1.00 0.00 H new ATOM 0 HZ PHE A 92 -8.871 -5.442 2.961 1.00 0.00 H new ATOM 1429 N ARG A 93 -6.697 -12.259 -1.094 1.00 0.00 N ATOM 1430 CA ARG A 93 -6.082 -13.281 -1.932 1.00 0.00 C ATOM 1431 C ARG A 93 -4.599 -12.989 -2.145 1.00 0.00 C ATOM 1432 O ARG A 93 -3.762 -13.888 -2.073 1.00 0.00 O ATOM 1433 CB ARG A 93 -6.795 -13.361 -3.283 1.00 0.00 C ATOM 1434 CG ARG A 93 -8.283 -13.648 -3.170 1.00 0.00 C ATOM 1435 CD ARG A 93 -8.564 -15.143 -3.172 1.00 0.00 C ATOM 1436 NE ARG A 93 -9.976 -15.434 -3.405 1.00 0.00 N ATOM 1437 CZ ARG A 93 -10.893 -15.442 -2.443 1.00 0.00 C ATOM 1438 NH1 ARG A 93 -10.548 -15.176 -1.191 1.00 0.00 N ATOM 1439 NH2 ARG A 93 -12.158 -15.716 -2.734 1.00 0.00 N ATOM 0 H ARG A 93 -7.487 -11.779 -1.525 1.00 0.00 H new ATOM 0 HA ARG A 93 -6.177 -14.239 -1.421 1.00 0.00 H new ATOM 0 HB2 ARG A 93 -6.654 -12.420 -3.815 1.00 0.00 H new ATOM 0 HB3 ARG A 93 -6.328 -14.140 -3.885 1.00 0.00 H new ATOM 0 HG2 ARG A 93 -8.671 -13.205 -2.253 1.00 0.00 H new ATOM 0 HG3 ARG A 93 -8.810 -13.177 -4.000 1.00 0.00 H new ATOM 0 HD2 ARG A 93 -7.963 -15.624 -3.944 1.00 0.00 H new ATOM 0 HD3 ARG A 93 -8.258 -15.571 -2.217 1.00 0.00 H new ATOM 0 HE ARG A 93 -10.275 -15.642 -4.358 1.00 0.00 H new ATOM 0 HH11 ARG A 93 -9.576 -14.964 -0.964 1.00 0.00 H new ATOM 0 HH12 ARG A 93 -11.254 -15.183 -0.455 1.00 0.00 H new ATOM 0 HH21 ARG A 93 -12.427 -15.921 -3.696 1.00 0.00 H new ATOM 0 HH22 ARG A 93 -12.861 -15.722 -1.995 1.00 0.00 H new ATOM 1453 N GLY A 94 -4.281 -11.725 -2.407 1.00 0.00 N ATOM 1454 CA GLY A 94 -2.900 -11.337 -2.626 1.00 0.00 C ATOM 1455 C GLY A 94 -2.672 -9.855 -2.405 1.00 0.00 C ATOM 1456 O GLY A 94 -3.603 -9.117 -2.078 1.00 0.00 O ATOM 0 H GLY A 94 -4.955 -10.963 -2.471 1.00 0.00 H new ATOM 0 HA2 GLY A 94 -2.256 -11.905 -1.955 1.00 0.00 H new ATOM 0 HA3 GLY A 94 -2.609 -11.598 -3.644 1.00 0.00 H new ATOM 1460 N LEU A 95 -1.431 -9.416 -2.583 1.00 0.00 N ATOM 1461 CA LEU A 95 -1.083 -8.011 -2.399 1.00 0.00 C ATOM 1462 C LEU A 95 -2.103 -7.104 -3.079 1.00 0.00 C ATOM 1463 O LEU A 95 -2.817 -6.349 -2.418 1.00 0.00 O ATOM 1464 CB LEU A 95 0.315 -7.735 -2.957 1.00 0.00 C ATOM 1465 CG LEU A 95 1.480 -7.975 -1.997 1.00 0.00 C ATOM 1466 CD1 LEU A 95 1.688 -6.767 -1.097 1.00 0.00 C ATOM 1467 CD2 LEU A 95 1.238 -9.226 -1.166 1.00 0.00 C ATOM 0 H LEU A 95 -0.649 -10.012 -2.854 1.00 0.00 H new ATOM 0 HA LEU A 95 -1.090 -7.797 -1.330 1.00 0.00 H new ATOM 0 HB2 LEU A 95 0.462 -8.359 -3.838 1.00 0.00 H new ATOM 0 HB3 LEU A 95 0.353 -6.698 -3.291 1.00 0.00 H new ATOM 0 HG LEU A 95 2.385 -8.124 -2.586 1.00 0.00 H new ATOM 0 HD11 LEU A 95 2.521 -6.956 -0.421 1.00 0.00 H new ATOM 0 HD12 LEU A 95 1.908 -5.892 -1.708 1.00 0.00 H new ATOM 0 HD13 LEU A 95 0.783 -6.586 -0.516 1.00 0.00 H new ATOM 0 HD21 LEU A 95 2.078 -9.381 -0.488 1.00 0.00 H new ATOM 0 HD22 LEU A 95 0.322 -9.107 -0.587 1.00 0.00 H new ATOM 0 HD23 LEU A 95 1.141 -10.088 -1.826 1.00 0.00 H new ATOM 1479 N THR A 96 -2.167 -7.183 -4.404 1.00 0.00 N ATOM 1480 CA THR A 96 -3.100 -6.370 -5.174 1.00 0.00 C ATOM 1481 C THR A 96 -4.381 -6.112 -4.390 1.00 0.00 C ATOM 1482 O THR A 96 -4.770 -4.963 -4.179 1.00 0.00 O ATOM 1483 CB THR A 96 -3.458 -7.042 -6.513 1.00 0.00 C ATOM 1484 OG1 THR A 96 -2.282 -7.595 -7.114 1.00 0.00 O ATOM 1485 CG2 THR A 96 -4.099 -6.043 -7.465 1.00 0.00 C ATOM 0 H THR A 96 -1.583 -7.802 -4.967 1.00 0.00 H new ATOM 0 HA THR A 96 -2.602 -5.421 -5.374 1.00 0.00 H new ATOM 0 HB THR A 96 -4.173 -7.840 -6.314 1.00 0.00 H new ATOM 0 HG1 THR A 96 -1.663 -6.872 -7.348 1.00 0.00 H new ATOM 0 HG21 THR A 96 -4.343 -6.540 -8.404 1.00 0.00 H new ATOM 0 HG22 THR A 96 -5.010 -5.646 -7.017 1.00 0.00 H new ATOM 0 HG23 THR A 96 -3.404 -5.226 -7.657 1.00 0.00 H new ATOM 1493 N GLU A 97 -5.033 -7.187 -3.958 1.00 0.00 N ATOM 1494 CA GLU A 97 -6.271 -7.075 -3.196 1.00 0.00 C ATOM 1495 C GLU A 97 -6.033 -6.351 -1.875 1.00 0.00 C ATOM 1496 O GLU A 97 -6.696 -5.359 -1.568 1.00 0.00 O ATOM 1497 CB GLU A 97 -6.861 -8.462 -2.932 1.00 0.00 C ATOM 1498 CG GLU A 97 -7.328 -9.175 -4.190 1.00 0.00 C ATOM 1499 CD GLU A 97 -8.651 -8.643 -4.705 1.00 0.00 C ATOM 1500 OE1 GLU A 97 -8.645 -7.595 -5.384 1.00 0.00 O ATOM 1501 OE2 GLU A 97 -9.692 -9.275 -4.428 1.00 0.00 O ATOM 0 H GLU A 97 -4.724 -8.145 -4.123 1.00 0.00 H new ATOM 0 HA GLU A 97 -6.979 -6.494 -3.786 1.00 0.00 H new ATOM 0 HB2 GLU A 97 -6.112 -9.077 -2.433 1.00 0.00 H new ATOM 0 HB3 GLU A 97 -7.702 -8.365 -2.246 1.00 0.00 H new ATOM 0 HG2 GLU A 97 -6.571 -9.068 -4.966 1.00 0.00 H new ATOM 0 HG3 GLU A 97 -7.425 -10.241 -3.984 1.00 0.00 H new ATOM 1508 N LEU A 98 -5.082 -6.853 -1.095 1.00 0.00 N ATOM 1509 CA LEU A 98 -4.755 -6.255 0.195 1.00 0.00 C ATOM 1510 C LEU A 98 -4.546 -4.750 0.061 1.00 0.00 C ATOM 1511 O LEU A 98 -5.263 -3.957 0.670 1.00 0.00 O ATOM 1512 CB LEU A 98 -3.499 -6.906 0.777 1.00 0.00 C ATOM 1513 CG LEU A 98 -3.024 -6.362 2.125 1.00 0.00 C ATOM 1514 CD1 LEU A 98 -2.003 -5.253 1.923 1.00 0.00 C ATOM 1515 CD2 LEU A 98 -4.205 -5.859 2.943 1.00 0.00 C ATOM 0 H LEU A 98 -4.524 -7.673 -1.333 1.00 0.00 H new ATOM 0 HA LEU A 98 -5.593 -6.428 0.870 1.00 0.00 H new ATOM 0 HB2 LEU A 98 -3.684 -7.975 0.884 1.00 0.00 H new ATOM 0 HB3 LEU A 98 -2.689 -6.794 0.057 1.00 0.00 H new ATOM 0 HG LEU A 98 -2.546 -7.173 2.674 1.00 0.00 H new ATOM 0 HD11 LEU A 98 -1.676 -4.878 2.893 1.00 0.00 H new ATOM 0 HD12 LEU A 98 -1.144 -5.644 1.377 1.00 0.00 H new ATOM 0 HD13 LEU A 98 -2.456 -4.441 1.354 1.00 0.00 H new ATOM 0 HD21 LEU A 98 -3.848 -5.476 3.899 1.00 0.00 H new ATOM 0 HD22 LEU A 98 -4.712 -5.062 2.399 1.00 0.00 H new ATOM 0 HD23 LEU A 98 -4.902 -6.679 3.118 1.00 0.00 H new ATOM 1527 N VAL A 99 -3.561 -4.364 -0.743 1.00 0.00 N ATOM 1528 CA VAL A 99 -3.260 -2.954 -0.961 1.00 0.00 C ATOM 1529 C VAL A 99 -4.494 -2.196 -1.435 1.00 0.00 C ATOM 1530 O VAL A 99 -4.802 -1.116 -0.932 1.00 0.00 O ATOM 1531 CB VAL A 99 -2.132 -2.774 -1.994 1.00 0.00 C ATOM 1532 CG1 VAL A 99 -1.771 -1.304 -2.140 1.00 0.00 C ATOM 1533 CG2 VAL A 99 -0.913 -3.594 -1.600 1.00 0.00 C ATOM 0 H VAL A 99 -2.958 -5.008 -1.254 1.00 0.00 H new ATOM 0 HA VAL A 99 -2.933 -2.548 -0.003 1.00 0.00 H new ATOM 0 HB VAL A 99 -2.487 -3.134 -2.960 1.00 0.00 H new ATOM 0 HG11 VAL A 99 -0.972 -1.197 -2.874 1.00 0.00 H new ATOM 0 HG12 VAL A 99 -2.646 -0.746 -2.472 1.00 0.00 H new ATOM 0 HG13 VAL A 99 -1.435 -0.915 -1.179 1.00 0.00 H new ATOM 0 HG21 VAL A 99 -0.126 -3.455 -2.341 1.00 0.00 H new ATOM 0 HG22 VAL A 99 -0.554 -3.267 -0.624 1.00 0.00 H new ATOM 0 HG23 VAL A 99 -1.184 -4.649 -1.552 1.00 0.00 H new ATOM 1543 N GLU A 100 -5.197 -2.769 -2.407 1.00 0.00 N ATOM 1544 CA GLU A 100 -6.399 -2.145 -2.949 1.00 0.00 C ATOM 1545 C GLU A 100 -7.319 -1.670 -1.828 1.00 0.00 C ATOM 1546 O GLU A 100 -7.948 -0.617 -1.931 1.00 0.00 O ATOM 1547 CB GLU A 100 -7.146 -3.127 -3.855 1.00 0.00 C ATOM 1548 CG GLU A 100 -6.766 -3.012 -5.321 1.00 0.00 C ATOM 1549 CD GLU A 100 -7.909 -3.375 -6.250 1.00 0.00 C ATOM 1550 OE1 GLU A 100 -9.018 -2.833 -6.067 1.00 0.00 O ATOM 1551 OE2 GLU A 100 -7.692 -4.202 -7.160 1.00 0.00 O ATOM 0 H GLU A 100 -4.956 -3.663 -2.835 1.00 0.00 H new ATOM 0 HA GLU A 100 -6.094 -1.279 -3.537 1.00 0.00 H new ATOM 0 HB2 GLU A 100 -6.948 -4.144 -3.516 1.00 0.00 H new ATOM 0 HB3 GLU A 100 -8.218 -2.960 -3.752 1.00 0.00 H new ATOM 0 HG2 GLU A 100 -6.443 -1.992 -5.530 1.00 0.00 H new ATOM 0 HG3 GLU A 100 -5.916 -3.664 -5.525 1.00 0.00 H new ATOM 1558 N PHE A 101 -7.392 -2.455 -0.758 1.00 0.00 N ATOM 1559 CA PHE A 101 -8.235 -2.116 0.382 1.00 0.00 C ATOM 1560 C PHE A 101 -7.649 -0.943 1.163 1.00 0.00 C ATOM 1561 O PHE A 101 -8.314 0.072 1.371 1.00 0.00 O ATOM 1562 CB PHE A 101 -8.394 -3.327 1.303 1.00 0.00 C ATOM 1563 CG PHE A 101 -9.350 -3.095 2.439 1.00 0.00 C ATOM 1564 CD1 PHE A 101 -10.700 -3.371 2.294 1.00 0.00 C ATOM 1565 CD2 PHE A 101 -8.897 -2.600 3.652 1.00 0.00 C ATOM 1566 CE1 PHE A 101 -11.581 -3.159 3.337 1.00 0.00 C ATOM 1567 CE2 PHE A 101 -9.774 -2.387 4.699 1.00 0.00 C ATOM 1568 CZ PHE A 101 -11.118 -2.665 4.541 1.00 0.00 C ATOM 0 H PHE A 101 -6.878 -3.330 -0.657 1.00 0.00 H new ATOM 0 HA PHE A 101 -9.215 -1.824 0.003 1.00 0.00 H new ATOM 0 HB2 PHE A 101 -8.740 -4.177 0.715 1.00 0.00 H new ATOM 0 HB3 PHE A 101 -7.419 -3.596 1.709 1.00 0.00 H new ATOM 0 HD1 PHE A 101 -11.068 -3.756 1.355 1.00 0.00 H new ATOM 0 HD2 PHE A 101 -7.848 -2.378 3.780 1.00 0.00 H new ATOM 0 HE1 PHE A 101 -12.631 -3.379 3.211 1.00 0.00 H new ATOM 0 HE2 PHE A 101 -9.409 -2.003 5.640 1.00 0.00 H new ATOM 0 HZ PHE A 101 -11.805 -2.496 5.357 1.00 0.00 H new ATOM 1578 N TYR A 102 -6.401 -1.090 1.592 1.00 0.00 N ATOM 1579 CA TYR A 102 -5.726 -0.045 2.351 1.00 0.00 C ATOM 1580 C TYR A 102 -5.714 1.270 1.578 1.00 0.00 C ATOM 1581 O TYR A 102 -5.473 2.334 2.147 1.00 0.00 O ATOM 1582 CB TYR A 102 -4.293 -0.469 2.681 1.00 0.00 C ATOM 1583 CG TYR A 102 -4.212 -1.666 3.601 1.00 0.00 C ATOM 1584 CD1 TYR A 102 -5.154 -1.860 4.604 1.00 0.00 C ATOM 1585 CD2 TYR A 102 -3.195 -2.603 3.466 1.00 0.00 C ATOM 1586 CE1 TYR A 102 -5.083 -2.952 5.448 1.00 0.00 C ATOM 1587 CE2 TYR A 102 -3.118 -3.698 4.305 1.00 0.00 C ATOM 1588 CZ TYR A 102 -4.063 -3.868 5.294 1.00 0.00 C ATOM 1589 OH TYR A 102 -3.990 -4.958 6.131 1.00 0.00 O ATOM 0 H TYR A 102 -5.836 -1.923 1.427 1.00 0.00 H new ATOM 0 HA TYR A 102 -6.276 0.106 3.280 1.00 0.00 H new ATOM 0 HB2 TYR A 102 -3.768 -0.698 1.754 1.00 0.00 H new ATOM 0 HB3 TYR A 102 -3.772 0.370 3.143 1.00 0.00 H new ATOM 0 HD1 TYR A 102 -5.955 -1.146 4.726 1.00 0.00 H new ATOM 0 HD2 TYR A 102 -2.452 -2.473 2.693 1.00 0.00 H new ATOM 0 HE1 TYR A 102 -5.822 -3.088 6.224 1.00 0.00 H new ATOM 0 HE2 TYR A 102 -2.321 -4.417 4.187 1.00 0.00 H new ATOM 0 HH TYR A 102 -4.725 -5.574 5.931 1.00 0.00 H new ATOM 1599 N GLN A 103 -5.976 1.186 0.278 1.00 0.00 N ATOM 1600 CA GLN A 103 -5.995 2.369 -0.575 1.00 0.00 C ATOM 1601 C GLN A 103 -7.229 3.221 -0.296 1.00 0.00 C ATOM 1602 O GLN A 103 -7.265 4.405 -0.629 1.00 0.00 O ATOM 1603 CB GLN A 103 -5.964 1.962 -2.049 1.00 0.00 C ATOM 1604 CG GLN A 103 -4.568 1.657 -2.567 1.00 0.00 C ATOM 1605 CD GLN A 103 -4.576 1.119 -3.984 1.00 0.00 C ATOM 1606 OE1 GLN A 103 -5.179 1.709 -4.881 1.00 0.00 O ATOM 1607 NE2 GLN A 103 -3.904 -0.006 -4.195 1.00 0.00 N ATOM 0 H GLN A 103 -6.178 0.312 -0.208 1.00 0.00 H new ATOM 0 HA GLN A 103 -5.108 2.962 -0.351 1.00 0.00 H new ATOM 0 HB2 GLN A 103 -6.594 1.083 -2.188 1.00 0.00 H new ATOM 0 HB3 GLN A 103 -6.398 2.763 -2.648 1.00 0.00 H new ATOM 0 HG2 GLN A 103 -3.965 2.564 -2.530 1.00 0.00 H new ATOM 0 HG3 GLN A 103 -4.091 0.930 -1.909 1.00 0.00 H new ATOM 0 HE21 GLN A 103 -3.418 -0.462 -3.423 1.00 0.00 H new ATOM 0 HE22 GLN A 103 -3.873 -0.414 -5.129 1.00 0.00 H new ATOM 1616 N GLN A 104 -8.238 2.609 0.316 1.00 0.00 N ATOM 1617 CA GLN A 104 -9.475 3.312 0.638 1.00 0.00 C ATOM 1618 C GLN A 104 -9.616 3.503 2.144 1.00 0.00 C ATOM 1619 O GLN A 104 -10.428 4.304 2.605 1.00 0.00 O ATOM 1620 CB GLN A 104 -10.680 2.543 0.094 1.00 0.00 C ATOM 1621 CG GLN A 104 -10.474 1.037 0.056 1.00 0.00 C ATOM 1622 CD GLN A 104 -11.622 0.308 -0.614 1.00 0.00 C ATOM 1623 OE1 GLN A 104 -12.425 0.912 -1.326 1.00 0.00 O ATOM 1624 NE2 GLN A 104 -11.706 -0.998 -0.390 1.00 0.00 N ATOM 0 H GLN A 104 -8.223 1.629 0.599 1.00 0.00 H new ATOM 0 HA GLN A 104 -9.438 4.295 0.168 1.00 0.00 H new ATOM 0 HB2 GLN A 104 -11.551 2.767 0.710 1.00 0.00 H new ATOM 0 HB3 GLN A 104 -10.902 2.897 -0.913 1.00 0.00 H new ATOM 0 HG2 GLN A 104 -9.548 0.814 -0.474 1.00 0.00 H new ATOM 0 HG3 GLN A 104 -10.356 0.664 1.074 1.00 0.00 H new ATOM 0 HE21 GLN A 104 -11.019 -1.458 0.207 1.00 0.00 H new ATOM 0 HE22 GLN A 104 -12.458 -1.541 -0.815 1.00 0.00 H new ATOM 1633 N ASN A 105 -8.820 2.760 2.907 1.00 0.00 N ATOM 1634 CA ASN A 105 -8.857 2.847 4.362 1.00 0.00 C ATOM 1635 C ASN A 105 -7.486 3.213 4.921 1.00 0.00 C ATOM 1636 O ASN A 105 -6.456 2.858 4.347 1.00 0.00 O ATOM 1637 CB ASN A 105 -9.327 1.519 4.961 1.00 0.00 C ATOM 1638 CG ASN A 105 -10.681 1.092 4.430 1.00 0.00 C ATOM 1639 OD1 ASN A 105 -11.711 1.335 5.059 1.00 0.00 O ATOM 1640 ND2 ASN A 105 -10.686 0.452 3.267 1.00 0.00 N ATOM 0 H ASN A 105 -8.142 2.091 2.542 1.00 0.00 H new ATOM 0 HA ASN A 105 -9.562 3.632 4.636 1.00 0.00 H new ATOM 0 HB2 ASN A 105 -8.593 0.744 4.741 1.00 0.00 H new ATOM 0 HB3 ASN A 105 -9.378 1.611 6.046 1.00 0.00 H new ATOM 0 HD21 ASN A 105 -11.568 0.140 2.860 1.00 0.00 H new ATOM 0 HD22 ASN A 105 -9.808 0.272 2.780 1.00 0.00 H new ATOM 1647 N SER A 106 -7.480 3.924 6.044 1.00 0.00 N ATOM 1648 CA SER A 106 -6.236 4.342 6.678 1.00 0.00 C ATOM 1649 C SER A 106 -5.494 3.142 7.260 1.00 0.00 C ATOM 1650 O SER A 106 -6.110 2.177 7.715 1.00 0.00 O ATOM 1651 CB SER A 106 -6.518 5.364 7.781 1.00 0.00 C ATOM 1652 OG SER A 106 -6.559 6.680 7.257 1.00 0.00 O ATOM 0 H SER A 106 -8.324 4.223 6.534 1.00 0.00 H new ATOM 0 HA SER A 106 -5.607 4.804 5.917 1.00 0.00 H new ATOM 0 HB2 SER A 106 -7.468 5.131 8.263 1.00 0.00 H new ATOM 0 HB3 SER A 106 -5.747 5.298 8.548 1.00 0.00 H new ATOM 0 HG SER A 106 -6.742 7.315 7.981 1.00 0.00 H new ATOM 1658 N LEU A 107 -4.167 3.209 7.242 1.00 0.00 N ATOM 1659 CA LEU A 107 -3.339 2.129 7.767 1.00 0.00 C ATOM 1660 C LEU A 107 -3.268 2.189 9.290 1.00 0.00 C ATOM 1661 O LEU A 107 -2.841 1.235 9.940 1.00 0.00 O ATOM 1662 CB LEU A 107 -1.931 2.206 7.176 1.00 0.00 C ATOM 1663 CG LEU A 107 -1.771 1.674 5.751 1.00 0.00 C ATOM 1664 CD1 LEU A 107 -1.613 0.162 5.760 1.00 0.00 C ATOM 1665 CD2 LEU A 107 -2.959 2.083 4.893 1.00 0.00 C ATOM 0 H LEU A 107 -3.642 4.000 6.869 1.00 0.00 H new ATOM 0 HA LEU A 107 -3.795 1.182 7.480 1.00 0.00 H new ATOM 0 HB2 LEU A 107 -1.608 3.247 7.192 1.00 0.00 H new ATOM 0 HB3 LEU A 107 -1.255 1.652 7.827 1.00 0.00 H new ATOM 0 HG LEU A 107 -0.870 2.110 5.320 1.00 0.00 H new ATOM 0 HD11 LEU A 107 -1.500 -0.198 4.737 1.00 0.00 H new ATOM 0 HD12 LEU A 107 -0.730 -0.108 6.339 1.00 0.00 H new ATOM 0 HD13 LEU A 107 -2.495 -0.293 6.210 1.00 0.00 H new ATOM 0 HD21 LEU A 107 -2.828 1.696 3.882 1.00 0.00 H new ATOM 0 HD22 LEU A 107 -3.875 1.676 5.322 1.00 0.00 H new ATOM 0 HD23 LEU A 107 -3.026 3.170 4.859 1.00 0.00 H new ATOM 1677 N LYS A 108 -3.689 3.317 9.853 1.00 0.00 N ATOM 1678 CA LYS A 108 -3.677 3.501 11.299 1.00 0.00 C ATOM 1679 C LYS A 108 -4.160 2.243 12.012 1.00 0.00 C ATOM 1680 O LYS A 108 -3.670 1.902 13.090 1.00 0.00 O ATOM 1681 CB LYS A 108 -4.557 4.691 11.689 1.00 0.00 C ATOM 1682 CG LYS A 108 -6.044 4.428 11.522 1.00 0.00 C ATOM 1683 CD LYS A 108 -6.844 5.720 11.544 1.00 0.00 C ATOM 1684 CE LYS A 108 -8.222 5.532 10.928 1.00 0.00 C ATOM 1685 NZ LYS A 108 -8.733 6.790 10.318 1.00 0.00 N ATOM 0 H LYS A 108 -4.043 4.118 9.329 1.00 0.00 H new ATOM 0 HA LYS A 108 -2.650 3.699 11.606 1.00 0.00 H new ATOM 0 HB2 LYS A 108 -4.358 4.955 12.728 1.00 0.00 H new ATOM 0 HB3 LYS A 108 -4.278 5.553 11.082 1.00 0.00 H new ATOM 0 HG2 LYS A 108 -6.219 3.907 10.581 1.00 0.00 H new ATOM 0 HG3 LYS A 108 -6.390 3.771 12.320 1.00 0.00 H new ATOM 0 HD2 LYS A 108 -6.948 6.068 12.572 1.00 0.00 H new ATOM 0 HD3 LYS A 108 -6.303 6.494 10.999 1.00 0.00 H new ATOM 0 HE2 LYS A 108 -8.177 4.752 10.168 1.00 0.00 H new ATOM 0 HE3 LYS A 108 -8.919 5.191 11.694 1.00 0.00 H new ATOM 0 HZ1 LYS A 108 -9.674 6.620 9.909 1.00 0.00 H new ATOM 0 HZ2 LYS A 108 -8.801 7.527 11.048 1.00 0.00 H new ATOM 0 HZ3 LYS A 108 -8.082 7.102 9.570 1.00 0.00 H new ATOM 1699 N ASP A 109 -5.120 1.555 11.405 1.00 0.00 N ATOM 1700 CA ASP A 109 -5.667 0.332 11.981 1.00 0.00 C ATOM 1701 C ASP A 109 -4.561 -0.520 12.597 1.00 0.00 C ATOM 1702 O ASP A 109 -4.733 -1.094 13.673 1.00 0.00 O ATOM 1703 CB ASP A 109 -6.412 -0.471 10.914 1.00 0.00 C ATOM 1704 CG ASP A 109 -7.638 0.255 10.394 1.00 0.00 C ATOM 1705 OD1 ASP A 109 -8.476 0.671 11.221 1.00 0.00 O ATOM 1706 OD2 ASP A 109 -7.759 0.406 9.160 1.00 0.00 O ATOM 0 H ASP A 109 -5.536 1.823 10.513 1.00 0.00 H new ATOM 0 HA ASP A 109 -6.367 0.612 12.768 1.00 0.00 H new ATOM 0 HB2 ASP A 109 -5.738 -0.680 10.084 1.00 0.00 H new ATOM 0 HB3 ASP A 109 -6.712 -1.433 11.331 1.00 0.00 H new ATOM 1711 N CYS A 110 -3.429 -0.599 11.907 1.00 0.00 N ATOM 1712 CA CYS A 110 -2.296 -1.383 12.385 1.00 0.00 C ATOM 1713 C CYS A 110 -1.287 -0.496 13.108 1.00 0.00 C ATOM 1714 O CYS A 110 -0.638 -0.926 14.061 1.00 0.00 O ATOM 1715 CB CYS A 110 -1.617 -2.101 11.217 1.00 0.00 C ATOM 1716 SG CYS A 110 -0.553 -3.475 11.715 1.00 0.00 S ATOM 0 H CYS A 110 -3.271 -0.130 11.015 1.00 0.00 H new ATOM 0 HA CYS A 110 -2.671 -2.125 13.090 1.00 0.00 H new ATOM 0 HB2 CYS A 110 -2.384 -2.476 10.540 1.00 0.00 H new ATOM 0 HB3 CYS A 110 -1.022 -1.379 10.657 1.00 0.00 H new ATOM 0 HG CYS A 110 0.693 -3.138 11.559 1.00 0.00 H new ATOM 1722 N PHE A 111 -1.160 0.744 12.647 1.00 0.00 N ATOM 1723 CA PHE A 111 -0.228 1.692 13.247 1.00 0.00 C ATOM 1724 C PHE A 111 -0.892 3.050 13.454 1.00 0.00 C ATOM 1725 O PHE A 111 -0.736 3.961 12.641 1.00 0.00 O ATOM 1726 CB PHE A 111 1.013 1.847 12.367 1.00 0.00 C ATOM 1727 CG PHE A 111 1.758 0.561 12.149 1.00 0.00 C ATOM 1728 CD1 PHE A 111 2.646 0.089 13.103 1.00 0.00 C ATOM 1729 CD2 PHE A 111 1.571 -0.176 10.991 1.00 0.00 C ATOM 1730 CE1 PHE A 111 3.333 -1.093 12.904 1.00 0.00 C ATOM 1731 CE2 PHE A 111 2.255 -1.359 10.787 1.00 0.00 C ATOM 1732 CZ PHE A 111 3.137 -1.819 11.746 1.00 0.00 C ATOM 0 H PHE A 111 -1.691 1.116 11.860 1.00 0.00 H new ATOM 0 HA PHE A 111 0.072 1.302 14.220 1.00 0.00 H new ATOM 0 HB2 PHE A 111 0.715 2.253 11.400 1.00 0.00 H new ATOM 0 HB3 PHE A 111 1.685 2.574 12.824 1.00 0.00 H new ATOM 0 HD1 PHE A 111 2.803 0.651 14.012 1.00 0.00 H new ATOM 0 HD2 PHE A 111 0.882 0.178 10.239 1.00 0.00 H new ATOM 0 HE1 PHE A 111 4.023 -1.449 13.654 1.00 0.00 H new ATOM 0 HE2 PHE A 111 2.100 -1.923 9.879 1.00 0.00 H new ATOM 0 HZ PHE A 111 3.672 -2.744 11.590 1.00 0.00 H new ATOM 1742 N LYS A 112 -1.635 3.178 14.549 1.00 0.00 N ATOM 1743 CA LYS A 112 -2.323 4.424 14.866 1.00 0.00 C ATOM 1744 C LYS A 112 -1.466 5.629 14.490 1.00 0.00 C ATOM 1745 O LYS A 112 -1.849 6.434 13.641 1.00 0.00 O ATOM 1746 CB LYS A 112 -2.668 4.475 16.356 1.00 0.00 C ATOM 1747 CG LYS A 112 -3.888 5.325 16.668 1.00 0.00 C ATOM 1748 CD LYS A 112 -3.789 5.956 18.047 1.00 0.00 C ATOM 1749 CE LYS A 112 -4.396 5.059 19.115 1.00 0.00 C ATOM 1750 NZ LYS A 112 -5.850 4.832 18.888 1.00 0.00 N ATOM 0 H LYS A 112 -1.776 2.433 15.232 1.00 0.00 H new ATOM 0 HA LYS A 112 -3.244 4.460 14.285 1.00 0.00 H new ATOM 0 HB2 LYS A 112 -2.840 3.461 16.716 1.00 0.00 H new ATOM 0 HB3 LYS A 112 -1.812 4.867 16.906 1.00 0.00 H new ATOM 0 HG2 LYS A 112 -3.990 6.107 15.915 1.00 0.00 H new ATOM 0 HG3 LYS A 112 -4.786 4.709 16.612 1.00 0.00 H new ATOM 0 HD2 LYS A 112 -2.743 6.151 18.285 1.00 0.00 H new ATOM 0 HD3 LYS A 112 -4.300 6.919 18.045 1.00 0.00 H new ATOM 0 HE2 LYS A 112 -3.876 4.101 19.123 1.00 0.00 H new ATOM 0 HE3 LYS A 112 -4.248 5.511 20.096 1.00 0.00 H new ATOM 0 HZ1 LYS A 112 -6.320 4.652 19.798 1.00 0.00 H new ATOM 0 HZ2 LYS A 112 -6.268 5.674 18.443 1.00 0.00 H new ATOM 0 HZ3 LYS A 112 -5.980 4.011 18.263 1.00 0.00 H new ATOM 1764 N SER A 113 -0.305 5.746 15.126 1.00 0.00 N ATOM 1765 CA SER A 113 0.604 6.854 14.860 1.00 0.00 C ATOM 1766 C SER A 113 0.672 7.154 13.366 1.00 0.00 C ATOM 1767 O SER A 113 0.701 8.315 12.954 1.00 0.00 O ATOM 1768 CB SER A 113 2.002 6.533 15.392 1.00 0.00 C ATOM 1769 OG SER A 113 2.888 7.620 15.187 1.00 0.00 O ATOM 0 H SER A 113 0.028 5.087 15.829 1.00 0.00 H new ATOM 0 HA SER A 113 0.222 7.737 15.373 1.00 0.00 H new ATOM 0 HB2 SER A 113 1.945 6.302 16.456 1.00 0.00 H new ATOM 0 HB3 SER A 113 2.389 5.645 14.893 1.00 0.00 H new ATOM 0 HG SER A 113 3.774 7.390 15.537 1.00 0.00 H new ATOM 1775 N LEU A 114 0.698 6.100 12.558 1.00 0.00 N ATOM 1776 CA LEU A 114 0.762 6.249 11.108 1.00 0.00 C ATOM 1777 C LEU A 114 -0.634 6.223 10.495 1.00 0.00 C ATOM 1778 O LEU A 114 -1.194 5.154 10.247 1.00 0.00 O ATOM 1779 CB LEU A 114 1.620 5.138 10.499 1.00 0.00 C ATOM 1780 CG LEU A 114 1.805 5.188 8.983 1.00 0.00 C ATOM 1781 CD1 LEU A 114 2.273 6.568 8.547 1.00 0.00 C ATOM 1782 CD2 LEU A 114 2.791 4.121 8.530 1.00 0.00 C ATOM 0 H LEU A 114 0.676 5.133 12.882 1.00 0.00 H new ATOM 0 HA LEU A 114 1.217 7.214 10.887 1.00 0.00 H new ATOM 0 HB2 LEU A 114 2.604 5.169 10.966 1.00 0.00 H new ATOM 0 HB3 LEU A 114 1.174 4.178 10.759 1.00 0.00 H new ATOM 0 HG LEU A 114 0.842 4.988 8.513 1.00 0.00 H new ATOM 0 HD11 LEU A 114 2.399 6.584 7.464 1.00 0.00 H new ATOM 0 HD12 LEU A 114 1.531 7.312 8.837 1.00 0.00 H new ATOM 0 HD13 LEU A 114 3.224 6.798 9.027 1.00 0.00 H new ATOM 0 HD21 LEU A 114 2.910 4.172 7.448 1.00 0.00 H new ATOM 0 HD22 LEU A 114 3.755 4.290 9.010 1.00 0.00 H new ATOM 0 HD23 LEU A 114 2.415 3.136 8.808 1.00 0.00 H new ATOM 1794 N ASP A 115 -1.191 7.404 10.252 1.00 0.00 N ATOM 1795 CA ASP A 115 -2.521 7.517 9.665 1.00 0.00 C ATOM 1796 C ASP A 115 -2.433 7.901 8.191 1.00 0.00 C ATOM 1797 O ASP A 115 -2.851 8.990 7.796 1.00 0.00 O ATOM 1798 CB ASP A 115 -3.351 8.552 10.426 1.00 0.00 C ATOM 1799 CG ASP A 115 -3.165 8.453 11.927 1.00 0.00 C ATOM 1800 OD1 ASP A 115 -2.115 8.908 12.426 1.00 0.00 O ATOM 1801 OD2 ASP A 115 -4.070 7.921 12.603 1.00 0.00 O ATOM 0 H ASP A 115 -0.742 8.297 10.453 1.00 0.00 H new ATOM 0 HA ASP A 115 -3.009 6.545 9.740 1.00 0.00 H new ATOM 0 HB2 ASP A 115 -3.073 9.552 10.094 1.00 0.00 H new ATOM 0 HB3 ASP A 115 -4.405 8.417 10.184 1.00 0.00 H new ATOM 1806 N THR A 116 -1.886 7.000 7.382 1.00 0.00 N ATOM 1807 CA THR A 116 -1.741 7.244 5.952 1.00 0.00 C ATOM 1808 C THR A 116 -2.410 6.145 5.136 1.00 0.00 C ATOM 1809 O THR A 116 -3.065 5.258 5.686 1.00 0.00 O ATOM 1810 CB THR A 116 -0.258 7.339 5.546 1.00 0.00 C ATOM 1811 OG1 THR A 116 -0.147 7.845 4.211 1.00 0.00 O ATOM 1812 CG2 THR A 116 0.416 5.979 5.636 1.00 0.00 C ATOM 0 H THR A 116 -1.536 6.094 7.693 1.00 0.00 H new ATOM 0 HA THR A 116 -2.229 8.196 5.743 1.00 0.00 H new ATOM 0 HB THR A 116 0.241 8.020 6.235 1.00 0.00 H new ATOM 0 HG1 THR A 116 -0.041 8.819 4.238 1.00 0.00 H new ATOM 0 HG21 THR A 116 1.462 6.071 5.345 1.00 0.00 H new ATOM 0 HG22 THR A 116 0.356 5.610 6.660 1.00 0.00 H new ATOM 0 HG23 THR A 116 -0.086 5.279 4.968 1.00 0.00 H new ATOM 1820 N THR A 117 -2.242 6.206 3.819 1.00 0.00 N ATOM 1821 CA THR A 117 -2.830 5.216 2.926 1.00 0.00 C ATOM 1822 C THR A 117 -2.006 5.066 1.652 1.00 0.00 C ATOM 1823 O THR A 117 -1.147 5.896 1.355 1.00 0.00 O ATOM 1824 CB THR A 117 -4.276 5.589 2.548 1.00 0.00 C ATOM 1825 OG1 THR A 117 -4.393 7.008 2.399 1.00 0.00 O ATOM 1826 CG2 THR A 117 -5.255 5.103 3.606 1.00 0.00 C ATOM 0 H THR A 117 -1.703 6.932 3.347 1.00 0.00 H new ATOM 0 HA THR A 117 -2.836 4.269 3.465 1.00 0.00 H new ATOM 0 HB THR A 117 -4.517 5.104 1.602 1.00 0.00 H new ATOM 0 HG1 THR A 117 -5.315 7.237 2.157 1.00 0.00 H new ATOM 0 HG21 THR A 117 -6.269 5.378 3.317 1.00 0.00 H new ATOM 0 HG22 THR A 117 -5.185 4.019 3.696 1.00 0.00 H new ATOM 0 HG23 THR A 117 -5.013 5.563 4.564 1.00 0.00 H new ATOM 1834 N LEU A 118 -2.274 4.002 0.902 1.00 0.00 N ATOM 1835 CA LEU A 118 -1.557 3.744 -0.342 1.00 0.00 C ATOM 1836 C LEU A 118 -2.001 4.708 -1.437 1.00 0.00 C ATOM 1837 O LEU A 118 -2.998 4.471 -2.119 1.00 0.00 O ATOM 1838 CB LEU A 118 -1.785 2.300 -0.794 1.00 0.00 C ATOM 1839 CG LEU A 118 -1.327 1.212 0.177 1.00 0.00 C ATOM 1840 CD1 LEU A 118 0.170 1.314 0.425 1.00 0.00 C ATOM 1841 CD2 LEU A 118 -2.094 1.309 1.487 1.00 0.00 C ATOM 0 H LEU A 118 -2.982 3.305 1.134 1.00 0.00 H new ATOM 0 HA LEU A 118 -0.494 3.898 -0.159 1.00 0.00 H new ATOM 0 HB2 LEU A 118 -2.850 2.164 -0.985 1.00 0.00 H new ATOM 0 HB3 LEU A 118 -1.270 2.152 -1.743 1.00 0.00 H new ATOM 0 HG LEU A 118 -1.535 0.241 -0.271 1.00 0.00 H new ATOM 0 HD11 LEU A 118 0.478 0.532 1.119 1.00 0.00 H new ATOM 0 HD12 LEU A 118 0.704 1.194 -0.518 1.00 0.00 H new ATOM 0 HD13 LEU A 118 0.402 2.290 0.852 1.00 0.00 H new ATOM 0 HD21 LEU A 118 -1.755 0.527 2.166 1.00 0.00 H new ATOM 0 HD22 LEU A 118 -1.918 2.284 1.940 1.00 0.00 H new ATOM 0 HD23 LEU A 118 -3.160 1.185 1.295 1.00 0.00 H new ATOM 1853 N GLN A 119 -1.253 5.794 -1.601 1.00 0.00 N ATOM 1854 CA GLN A 119 -1.570 6.794 -2.614 1.00 0.00 C ATOM 1855 C GLN A 119 -1.170 6.306 -4.003 1.00 0.00 C ATOM 1856 O GLN A 119 -2.023 5.964 -4.822 1.00 0.00 O ATOM 1857 CB GLN A 119 -0.861 8.112 -2.300 1.00 0.00 C ATOM 1858 CG GLN A 119 -0.993 8.543 -0.848 1.00 0.00 C ATOM 1859 CD GLN A 119 -1.062 10.049 -0.691 1.00 0.00 C ATOM 1860 OE1 GLN A 119 -0.650 10.797 -1.577 1.00 0.00 O ATOM 1861 NE2 GLN A 119 -1.587 10.502 0.442 1.00 0.00 N ATOM 0 H GLN A 119 -0.424 6.004 -1.046 1.00 0.00 H new ATOM 0 HA GLN A 119 -2.648 6.958 -2.602 1.00 0.00 H new ATOM 0 HB2 GLN A 119 0.196 8.014 -2.547 1.00 0.00 H new ATOM 0 HB3 GLN A 119 -1.267 8.895 -2.941 1.00 0.00 H new ATOM 0 HG2 GLN A 119 -1.890 8.095 -0.420 1.00 0.00 H new ATOM 0 HG3 GLN A 119 -0.144 8.161 -0.281 1.00 0.00 H new ATOM 0 HE21 GLN A 119 -1.916 9.846 1.150 1.00 0.00 H new ATOM 0 HE22 GLN A 119 -1.661 11.506 0.604 1.00 0.00 H new ATOM 1870 N PHE A 120 0.133 6.277 -4.262 1.00 0.00 N ATOM 1871 CA PHE A 120 0.647 5.832 -5.552 1.00 0.00 C ATOM 1872 C PHE A 120 1.937 5.036 -5.379 1.00 0.00 C ATOM 1873 O PHE A 120 2.675 5.206 -4.409 1.00 0.00 O ATOM 1874 CB PHE A 120 0.893 7.033 -6.468 1.00 0.00 C ATOM 1875 CG PHE A 120 0.029 8.219 -6.147 1.00 0.00 C ATOM 1876 CD1 PHE A 120 -1.335 8.184 -6.387 1.00 0.00 C ATOM 1877 CD2 PHE A 120 0.582 9.369 -5.606 1.00 0.00 C ATOM 1878 CE1 PHE A 120 -2.133 9.273 -6.092 1.00 0.00 C ATOM 1879 CE2 PHE A 120 -0.211 10.461 -5.309 1.00 0.00 C ATOM 1880 CZ PHE A 120 -1.570 10.414 -5.554 1.00 0.00 C ATOM 0 H PHE A 120 0.853 6.557 -3.595 1.00 0.00 H new ATOM 0 HA PHE A 120 -0.100 5.183 -6.008 1.00 0.00 H new ATOM 0 HB2 PHE A 120 1.940 7.326 -6.396 1.00 0.00 H new ATOM 0 HB3 PHE A 120 0.716 6.734 -7.501 1.00 0.00 H new ATOM 0 HD1 PHE A 120 -1.780 7.295 -6.810 1.00 0.00 H new ATOM 0 HD2 PHE A 120 1.644 9.412 -5.415 1.00 0.00 H new ATOM 0 HE1 PHE A 120 -3.195 9.232 -6.282 1.00 0.00 H new ATOM 0 HE2 PHE A 120 0.231 11.351 -4.886 1.00 0.00 H new ATOM 0 HZ PHE A 120 -2.191 11.268 -5.325 1.00 0.00 H new ATOM 1890 N PRO A 121 2.216 4.146 -6.343 1.00 0.00 N ATOM 1891 CA PRO A 121 3.418 3.306 -6.321 1.00 0.00 C ATOM 1892 C PRO A 121 4.692 4.110 -6.558 1.00 0.00 C ATOM 1893 O PRO A 121 4.638 5.276 -6.952 1.00 0.00 O ATOM 1894 CB PRO A 121 3.184 2.323 -7.470 1.00 0.00 C ATOM 1895 CG PRO A 121 2.261 3.036 -8.397 1.00 0.00 C ATOM 1896 CD PRO A 121 1.381 3.892 -7.529 1.00 0.00 C ATOM 0 HA PRO A 121 3.562 2.825 -5.353 1.00 0.00 H new ATOM 0 HB2 PRO A 121 4.120 2.063 -7.965 1.00 0.00 H new ATOM 0 HB3 PRO A 121 2.744 1.392 -7.111 1.00 0.00 H new ATOM 0 HG2 PRO A 121 2.817 3.645 -9.109 1.00 0.00 H new ATOM 0 HG3 PRO A 121 1.668 2.329 -8.977 1.00 0.00 H new ATOM 0 HD2 PRO A 121 1.102 4.819 -8.030 1.00 0.00 H new ATOM 0 HD3 PRO A 121 0.455 3.380 -7.267 1.00 0.00 H new ATOM 1904 N PHE A 122 5.837 3.480 -6.318 1.00 0.00 N ATOM 1905 CA PHE A 122 7.125 4.138 -6.505 1.00 0.00 C ATOM 1906 C PHE A 122 7.529 4.132 -7.976 1.00 0.00 C ATOM 1907 O PHE A 122 8.133 5.084 -8.470 1.00 0.00 O ATOM 1908 CB PHE A 122 8.201 3.446 -5.666 1.00 0.00 C ATOM 1909 CG PHE A 122 8.717 2.177 -6.281 1.00 0.00 C ATOM 1910 CD1 PHE A 122 7.945 1.026 -6.279 1.00 0.00 C ATOM 1911 CD2 PHE A 122 9.975 2.134 -6.861 1.00 0.00 C ATOM 1912 CE1 PHE A 122 8.418 -0.143 -6.844 1.00 0.00 C ATOM 1913 CE2 PHE A 122 10.453 0.967 -7.427 1.00 0.00 C ATOM 1914 CZ PHE A 122 9.673 -0.172 -7.419 1.00 0.00 C ATOM 0 H PHE A 122 5.899 2.515 -5.994 1.00 0.00 H new ATOM 0 HA PHE A 122 7.028 5.173 -6.177 1.00 0.00 H new ATOM 0 HB2 PHE A 122 9.034 4.134 -5.519 1.00 0.00 H new ATOM 0 HB3 PHE A 122 7.794 3.223 -4.680 1.00 0.00 H new ATOM 0 HD1 PHE A 122 6.963 1.043 -5.831 1.00 0.00 H new ATOM 0 HD2 PHE A 122 10.589 3.022 -6.871 1.00 0.00 H new ATOM 0 HE1 PHE A 122 7.807 -1.033 -6.836 1.00 0.00 H new ATOM 0 HE2 PHE A 122 11.436 0.946 -7.875 1.00 0.00 H new ATOM 0 HZ PHE A 122 10.044 -1.085 -7.862 1.00 0.00 H new ATOM 1924 N LYS A 123 7.193 3.051 -8.672 1.00 0.00 N ATOM 1925 CA LYS A 123 7.520 2.918 -10.087 1.00 0.00 C ATOM 1926 C LYS A 123 6.673 3.865 -10.931 1.00 0.00 C ATOM 1927 O LYS A 123 7.053 4.225 -12.045 1.00 0.00 O ATOM 1928 CB LYS A 123 7.305 1.475 -10.548 1.00 0.00 C ATOM 1929 CG LYS A 123 8.489 0.565 -10.272 1.00 0.00 C ATOM 1930 CD LYS A 123 8.621 -0.515 -11.333 1.00 0.00 C ATOM 1931 CE LYS A 123 7.896 -1.788 -10.925 1.00 0.00 C ATOM 1932 NZ LYS A 123 8.290 -2.947 -11.773 1.00 0.00 N ATOM 0 H LYS A 123 6.694 2.253 -8.279 1.00 0.00 H new ATOM 0 HA LYS A 123 8.569 3.182 -10.219 1.00 0.00 H new ATOM 0 HB2 LYS A 123 6.423 1.071 -10.050 1.00 0.00 H new ATOM 0 HB3 LYS A 123 7.097 1.472 -11.618 1.00 0.00 H new ATOM 0 HG2 LYS A 123 9.404 1.157 -10.238 1.00 0.00 H new ATOM 0 HG3 LYS A 123 8.372 0.102 -9.292 1.00 0.00 H new ATOM 0 HD2 LYS A 123 8.216 -0.151 -12.277 1.00 0.00 H new ATOM 0 HD3 LYS A 123 9.675 -0.734 -11.502 1.00 0.00 H new ATOM 0 HE2 LYS A 123 8.114 -2.011 -9.881 1.00 0.00 H new ATOM 0 HE3 LYS A 123 6.820 -1.633 -11.000 1.00 0.00 H new ATOM 0 HZ1 LYS A 123 7.774 -3.795 -11.463 1.00 0.00 H new ATOM 0 HZ2 LYS A 123 8.059 -2.745 -12.767 1.00 0.00 H new ATOM 0 HZ3 LYS A 123 9.313 -3.112 -11.682 1.00 0.00 H new ATOM 1946 N GLU A 124 5.525 4.265 -10.393 1.00 0.00 N ATOM 1947 CA GLU A 124 4.626 5.170 -11.098 1.00 0.00 C ATOM 1948 C GLU A 124 5.409 6.135 -11.983 1.00 0.00 C ATOM 1949 O GLU A 124 6.398 6.738 -11.564 1.00 0.00 O ATOM 1950 CB GLU A 124 3.771 5.955 -10.101 1.00 0.00 C ATOM 1951 CG GLU A 124 2.341 6.174 -10.565 1.00 0.00 C ATOM 1952 CD GLU A 124 2.176 7.451 -11.365 1.00 0.00 C ATOM 1953 OE1 GLU A 124 2.727 8.490 -10.945 1.00 0.00 O ATOM 1954 OE2 GLU A 124 1.496 7.412 -12.412 1.00 0.00 O ATOM 0 H GLU A 124 5.196 3.976 -9.472 1.00 0.00 H new ATOM 0 HA GLU A 124 3.973 4.570 -11.732 1.00 0.00 H new ATOM 0 HB2 GLU A 124 3.758 5.424 -9.149 1.00 0.00 H new ATOM 0 HB3 GLU A 124 4.237 6.923 -9.919 1.00 0.00 H new ATOM 0 HG2 GLU A 124 2.026 5.326 -11.173 1.00 0.00 H new ATOM 0 HG3 GLU A 124 1.682 6.206 -9.697 1.00 0.00 H new ATOM 1961 N PRO A 125 4.959 6.286 -13.237 1.00 0.00 N ATOM 1962 CA PRO A 125 5.602 7.176 -14.208 1.00 0.00 C ATOM 1963 C PRO A 125 5.413 8.649 -13.859 1.00 0.00 C ATOM 1964 O PRO A 125 4.413 9.027 -13.250 1.00 0.00 O ATOM 1965 CB PRO A 125 4.891 6.843 -15.521 1.00 0.00 C ATOM 1966 CG PRO A 125 3.561 6.314 -15.108 1.00 0.00 C ATOM 1967 CD PRO A 125 3.786 5.599 -13.804 1.00 0.00 C ATOM 0 HA PRO A 125 6.681 7.028 -14.243 1.00 0.00 H new ATOM 0 HB2 PRO A 125 4.787 7.727 -16.150 1.00 0.00 H new ATOM 0 HB3 PRO A 125 5.449 6.105 -16.097 1.00 0.00 H new ATOM 0 HG2 PRO A 125 2.839 7.122 -14.990 1.00 0.00 H new ATOM 0 HG3 PRO A 125 3.160 5.635 -15.861 1.00 0.00 H new ATOM 0 HD2 PRO A 125 2.919 5.677 -13.148 1.00 0.00 H new ATOM 0 HD3 PRO A 125 3.977 4.537 -13.956 1.00 0.00 H new