USER MOD reduce.3.24.130724 H: found=0, std=0, add=781, rem=0, adj=21 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 111:sc= -0.621 USER MOD Set 1.2: A 74 HIS : no HD1:sc= -2.8! C(o=-3.4!,f=-12!) USER MOD Set 2.1: A 26 HIS : no HE2:sc= -8.64! C(o=-9.2!,f=-9!) USER MOD Set 2.2: A 96 THR OG1 : rot -39:sc= -0.604 USER MOD Single : A 24 SER OG : rot 180:sc= 0 USER MOD Single : A 29 TYR OH : rot 180:sc= -0.173 USER MOD Single : A 33 MET CE :methyl -167:sc= -1.96 (180deg=-2.49) USER MOD Single : A 40 SER OG : rot 180:sc= 0 USER MOD Single : A 44 ASN : amide:sc= -0.127 K(o=-0.13,f=-1.9!) USER MOD Single : A 46 SER OG : rot 180:sc= 0 USER MOD Single : A 49 THR OG1 : rot 84:sc= 0.984 USER MOD Single : A 67 LYS NZ :NH3+ -170:sc= 0.3 (180deg=0.25) USER MOD Single : A 68 TYR OH : rot -108:sc= 0.0602 USER MOD Single : A 69 ASN : amide:sc= 0.854 K(o=0.85,f=-0.012) USER MOD Single : A 73 LYS NZ :NH3+ 180:sc= 0.00166 (180deg=0.00166) USER MOD Single : A 76 LYS NZ :NH3+ 180:sc= 0 (180deg=0) 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= -0.03 USER MOD Single : A 89 LYS NZ :NH3+ 150:sc= -0.317 (180deg=-1.46!) USER MOD Single : A 90 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 102 TYR OH : rot 168:sc= -1.47 USER MOD Single : A 103 GLN : amide:sc= -2.97! K(o=-3!,f=-1.7) USER MOD Single : A 104 GLN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 105 ASN : amide:sc= -1.71! K(o=-1.7!,f=-1.1) USER MOD Single : A 106 SER OG : rot 180:sc= 0 USER MOD Single : A 108 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 110 CYS SG : rot 140:sc= -0.333 USER MOD Single : A 112 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 113 SER OG : rot 180:sc= 0 USER MOD Single : A 116 THR OG1 : rot 92:sc= 1.18 USER MOD Single : A 117 THR OG1 : rot 180:sc= 0 USER MOD Single : A 119 GLN : amide:sc= -2.54! C(o=-2.5!,f=-4.1!) USER MOD Single : A 123 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD ----------------------------------------------------------------- ATOM 296 N LEU A 23 3.230 -11.041 -9.042 1.00 0.00 N ATOM 297 CA LEU A 23 3.187 -9.763 -8.339 1.00 0.00 C ATOM 298 C LEU A 23 4.182 -8.777 -8.942 1.00 0.00 C ATOM 299 O LEU A 23 4.078 -7.568 -8.732 1.00 0.00 O ATOM 300 CB LEU A 23 3.490 -9.966 -6.853 1.00 0.00 C ATOM 301 CG LEU A 23 2.533 -10.885 -6.093 1.00 0.00 C ATOM 302 CD1 LEU A 23 3.043 -11.137 -4.682 1.00 0.00 C ATOM 303 CD2 LEU A 23 1.134 -10.287 -6.057 1.00 0.00 C ATOM 0 HA LEU A 23 2.184 -9.350 -8.446 1.00 0.00 H new ATOM 0 HB2 LEU A 23 4.499 -10.368 -6.760 1.00 0.00 H new ATOM 0 HB3 LEU A 23 3.489 -8.991 -6.366 1.00 0.00 H new ATOM 0 HG LEU A 23 2.485 -11.840 -6.616 1.00 0.00 H new ATOM 0 HD11 LEU A 23 2.349 -11.793 -4.156 1.00 0.00 H new ATOM 0 HD12 LEU A 23 4.024 -11.609 -4.729 1.00 0.00 H new ATOM 0 HD13 LEU A 23 3.121 -10.190 -4.149 1.00 0.00 H new ATOM 0 HD21 LEU A 23 0.467 -10.955 -5.512 1.00 0.00 H new ATOM 0 HD22 LEU A 23 1.165 -9.319 -5.558 1.00 0.00 H new ATOM 0 HD23 LEU A 23 0.767 -10.159 -7.075 1.00 0.00 H new ATOM 315 N SER A 24 5.145 -9.300 -9.694 1.00 0.00 N ATOM 316 CA SER A 24 6.159 -8.465 -10.327 1.00 0.00 C ATOM 317 C SER A 24 5.524 -7.498 -11.322 1.00 0.00 C ATOM 318 O SER A 24 5.976 -6.364 -11.478 1.00 0.00 O ATOM 319 CB SER A 24 7.197 -9.337 -11.037 1.00 0.00 C ATOM 320 OG SER A 24 8.404 -8.625 -11.245 1.00 0.00 O ATOM 0 H SER A 24 5.244 -10.298 -9.880 1.00 0.00 H new ATOM 0 HA SER A 24 6.654 -7.884 -9.548 1.00 0.00 H new ATOM 0 HB2 SER A 24 7.395 -10.229 -10.443 1.00 0.00 H new ATOM 0 HB3 SER A 24 6.800 -9.674 -11.995 1.00 0.00 H new ATOM 0 HG SER A 24 9.051 -9.204 -11.699 1.00 0.00 H new ATOM 326 N VAL A 25 4.472 -7.956 -11.993 1.00 0.00 N ATOM 327 CA VAL A 25 3.772 -7.133 -12.972 1.00 0.00 C ATOM 328 C VAL A 25 3.310 -5.818 -12.355 1.00 0.00 C ATOM 329 O VAL A 25 3.083 -4.834 -13.060 1.00 0.00 O ATOM 330 CB VAL A 25 2.553 -7.870 -13.557 1.00 0.00 C ATOM 331 CG1 VAL A 25 2.967 -9.217 -14.130 1.00 0.00 C ATOM 332 CG2 VAL A 25 1.476 -8.042 -12.496 1.00 0.00 C ATOM 0 H VAL A 25 4.086 -8.893 -11.876 1.00 0.00 H new ATOM 0 HA VAL A 25 4.480 -6.925 -13.774 1.00 0.00 H new ATOM 0 HB VAL A 25 2.141 -7.269 -14.367 1.00 0.00 H new ATOM 0 HG11 VAL A 25 2.092 -9.723 -14.539 1.00 0.00 H new ATOM 0 HG12 VAL A 25 3.701 -9.066 -14.921 1.00 0.00 H new ATOM 0 HG13 VAL A 25 3.405 -9.829 -13.341 1.00 0.00 H new ATOM 0 HG21 VAL A 25 0.622 -8.565 -12.926 1.00 0.00 H new ATOM 0 HG22 VAL A 25 1.875 -8.622 -11.664 1.00 0.00 H new ATOM 0 HG23 VAL A 25 1.159 -7.063 -12.137 1.00 0.00 H new ATOM 342 N HIS A 26 3.172 -5.808 -11.033 1.00 0.00 N ATOM 343 CA HIS A 26 2.737 -4.613 -10.319 1.00 0.00 C ATOM 344 C HIS A 26 3.861 -3.584 -10.245 1.00 0.00 C ATOM 345 O HIS A 26 5.037 -3.924 -10.381 1.00 0.00 O ATOM 346 CB HIS A 26 2.270 -4.976 -8.909 1.00 0.00 C ATOM 347 CG HIS A 26 1.306 -6.123 -8.875 1.00 0.00 C ATOM 348 ND1 HIS A 26 0.211 -6.211 -9.707 1.00 0.00 N ATOM 349 CD2 HIS A 26 1.280 -7.234 -8.102 1.00 0.00 C ATOM 350 CE1 HIS A 26 -0.449 -7.326 -9.447 1.00 0.00 C ATOM 351 NE2 HIS A 26 0.180 -7.965 -8.477 1.00 0.00 N ATOM 0 H HIS A 26 3.355 -6.614 -10.435 1.00 0.00 H new ATOM 0 HA HIS A 26 1.903 -4.176 -10.869 1.00 0.00 H new ATOM 0 HB2 HIS A 26 3.139 -5.224 -8.300 1.00 0.00 H new ATOM 0 HB3 HIS A 26 1.801 -4.104 -8.455 1.00 0.00 H new ATOM 0 HD1 HIS A 26 -0.049 -5.523 -10.413 1.00 0.00 H new ATOM 0 HD2 HIS A 26 1.992 -7.496 -7.333 1.00 0.00 H new ATOM 0 HE1 HIS A 26 -1.349 -7.658 -9.943 1.00 0.00 H new ATOM 359 N LEU A 27 3.493 -2.326 -10.030 1.00 0.00 N ATOM 360 CA LEU A 27 4.471 -1.247 -9.939 1.00 0.00 C ATOM 361 C LEU A 27 4.986 -1.099 -8.511 1.00 0.00 C ATOM 362 O LEU A 27 6.131 -0.703 -8.293 1.00 0.00 O ATOM 363 CB LEU A 27 3.851 0.070 -10.409 1.00 0.00 C ATOM 364 CG LEU A 27 3.659 0.220 -11.919 1.00 0.00 C ATOM 365 CD1 LEU A 27 2.956 1.529 -12.240 1.00 0.00 C ATOM 366 CD2 LEU A 27 4.998 0.142 -12.637 1.00 0.00 C ATOM 0 H LEU A 27 2.524 -2.028 -9.915 1.00 0.00 H new ATOM 0 HA LEU A 27 5.313 -1.496 -10.585 1.00 0.00 H new ATOM 0 HB2 LEU A 27 2.880 0.184 -9.926 1.00 0.00 H new ATOM 0 HB3 LEU A 27 4.479 0.889 -10.060 1.00 0.00 H new ATOM 0 HG LEU A 27 3.033 -0.600 -12.270 1.00 0.00 H new ATOM 0 HD11 LEU A 27 2.828 1.618 -13.319 1.00 0.00 H new ATOM 0 HD12 LEU A 27 1.979 1.546 -11.756 1.00 0.00 H new ATOM 0 HD13 LEU A 27 3.556 2.363 -11.875 1.00 0.00 H new ATOM 0 HD21 LEU A 27 4.842 0.251 -13.710 1.00 0.00 H new ATOM 0 HD22 LEU A 27 5.648 0.941 -12.282 1.00 0.00 H new ATOM 0 HD23 LEU A 27 5.464 -0.822 -12.434 1.00 0.00 H new ATOM 378 N TRP A 28 4.135 -1.421 -7.544 1.00 0.00 N ATOM 379 CA TRP A 28 4.506 -1.325 -6.137 1.00 0.00 C ATOM 380 C TRP A 28 5.218 -2.591 -5.674 1.00 0.00 C ATOM 381 O TRP A 28 5.317 -2.857 -4.476 1.00 0.00 O ATOM 382 CB TRP A 28 3.265 -1.080 -5.277 1.00 0.00 C ATOM 383 CG TRP A 28 2.048 -1.802 -5.771 1.00 0.00 C ATOM 384 CD1 TRP A 28 0.985 -1.258 -6.433 1.00 0.00 C ATOM 385 CD2 TRP A 28 1.769 -3.200 -5.640 1.00 0.00 C ATOM 386 NE1 TRP A 28 0.061 -2.234 -6.722 1.00 0.00 N ATOM 387 CE2 TRP A 28 0.519 -3.434 -6.247 1.00 0.00 C ATOM 388 CE3 TRP A 28 2.453 -4.278 -5.071 1.00 0.00 C ATOM 389 CZ2 TRP A 28 -0.058 -4.700 -6.298 1.00 0.00 C ATOM 390 CZ3 TRP A 28 1.879 -5.534 -5.123 1.00 0.00 C ATOM 391 CH2 TRP A 28 0.634 -5.737 -5.733 1.00 0.00 C ATOM 0 H TRP A 28 3.184 -1.751 -7.708 1.00 0.00 H new ATOM 0 HA TRP A 28 5.190 -0.484 -6.024 1.00 0.00 H new ATOM 0 HB2 TRP A 28 3.473 -1.392 -4.254 1.00 0.00 H new ATOM 0 HB3 TRP A 28 3.057 -0.010 -5.248 1.00 0.00 H new ATOM 0 HD1 TRP A 28 0.885 -0.214 -6.692 1.00 0.00 H new ATOM 0 HE1 TRP A 28 -0.822 -2.088 -7.211 1.00 0.00 H new ATOM 0 HE3 TRP A 28 3.413 -4.132 -4.599 1.00 0.00 H new ATOM 0 HZ2 TRP A 28 -1.018 -4.858 -6.767 1.00 0.00 H new ATOM 0 HZ3 TRP A 28 2.399 -6.374 -4.686 1.00 0.00 H new ATOM 0 HH2 TRP A 28 0.212 -6.731 -5.758 1.00 0.00 H new ATOM 402 N TYR A 29 5.713 -3.370 -6.630 1.00 0.00 N ATOM 403 CA TYR A 29 6.414 -4.610 -6.320 1.00 0.00 C ATOM 404 C TYR A 29 7.899 -4.493 -6.652 1.00 0.00 C ATOM 405 O TYR A 29 8.311 -4.716 -7.790 1.00 0.00 O ATOM 406 CB TYR A 29 5.797 -5.776 -7.093 1.00 0.00 C ATOM 407 CG TYR A 29 6.066 -7.127 -6.468 1.00 0.00 C ATOM 408 CD1 TYR A 29 5.257 -7.615 -5.449 1.00 0.00 C ATOM 409 CD2 TYR A 29 7.128 -7.913 -6.895 1.00 0.00 C ATOM 410 CE1 TYR A 29 5.499 -8.848 -4.874 1.00 0.00 C ATOM 411 CE2 TYR A 29 7.377 -9.148 -6.327 1.00 0.00 C ATOM 412 CZ TYR A 29 6.560 -9.611 -5.317 1.00 0.00 C ATOM 413 OH TYR A 29 6.805 -10.839 -4.748 1.00 0.00 O ATOM 0 H TYR A 29 5.641 -3.164 -7.626 1.00 0.00 H new ATOM 0 HA TYR A 29 6.313 -4.798 -5.251 1.00 0.00 H new ATOM 0 HB2 TYR A 29 4.720 -5.625 -7.163 1.00 0.00 H new ATOM 0 HB3 TYR A 29 6.186 -5.772 -8.111 1.00 0.00 H new ATOM 0 HD1 TYR A 29 4.425 -7.021 -5.101 1.00 0.00 H new ATOM 0 HD2 TYR A 29 7.771 -7.553 -7.685 1.00 0.00 H new ATOM 0 HE1 TYR A 29 4.861 -9.212 -4.082 1.00 0.00 H new ATOM 0 HE2 TYR A 29 8.207 -9.747 -6.672 1.00 0.00 H new ATOM 0 HH TYR A 29 7.587 -11.247 -5.175 1.00 0.00 H new ATOM 423 N ALA A 30 8.697 -4.143 -5.649 1.00 0.00 N ATOM 424 CA ALA A 30 10.136 -4.000 -5.832 1.00 0.00 C ATOM 425 C ALA A 30 10.881 -5.219 -5.299 1.00 0.00 C ATOM 426 O ALA A 30 11.971 -5.097 -4.740 1.00 0.00 O ATOM 427 CB ALA A 30 10.631 -2.735 -5.147 1.00 0.00 C ATOM 0 H ALA A 30 8.371 -3.953 -4.701 1.00 0.00 H new ATOM 0 HA ALA A 30 10.336 -3.924 -6.901 1.00 0.00 H new ATOM 0 HB1 ALA A 30 11.707 -2.640 -5.291 1.00 0.00 H new ATOM 0 HB2 ALA A 30 10.130 -1.868 -5.577 1.00 0.00 H new ATOM 0 HB3 ALA A 30 10.411 -2.789 -4.081 1.00 0.00 H new ATOM 433 N GLY A 31 10.286 -6.395 -5.475 1.00 0.00 N ATOM 434 CA GLY A 31 10.909 -7.618 -5.005 1.00 0.00 C ATOM 435 C GLY A 31 11.700 -7.414 -3.729 1.00 0.00 C ATOM 436 O GLY A 31 11.393 -6.541 -2.916 1.00 0.00 O ATOM 0 H GLY A 31 9.384 -6.522 -5.934 1.00 0.00 H new ATOM 0 HA2 GLY A 31 10.140 -8.371 -4.835 1.00 0.00 H new ATOM 0 HA3 GLY A 31 11.570 -8.006 -5.780 1.00 0.00 H new ATOM 440 N PRO A 32 12.744 -8.233 -3.537 1.00 0.00 N ATOM 441 CA PRO A 32 13.603 -8.158 -2.351 1.00 0.00 C ATOM 442 C PRO A 32 14.463 -6.899 -2.337 1.00 0.00 C ATOM 443 O PRO A 32 15.558 -6.878 -2.898 1.00 0.00 O ATOM 444 CB PRO A 32 14.482 -9.405 -2.470 1.00 0.00 C ATOM 445 CG PRO A 32 14.510 -9.711 -3.928 1.00 0.00 C ATOM 446 CD PRO A 32 13.168 -9.296 -4.464 1.00 0.00 C ATOM 0 HA PRO A 32 13.023 -8.116 -1.429 1.00 0.00 H new ATOM 0 HB2 PRO A 32 15.485 -9.221 -2.085 1.00 0.00 H new ATOM 0 HB3 PRO A 32 14.069 -10.236 -1.899 1.00 0.00 H new ATOM 0 HG2 PRO A 32 15.314 -9.168 -4.425 1.00 0.00 H new ATOM 0 HG3 PRO A 32 14.688 -10.772 -4.101 1.00 0.00 H new ATOM 0 HD2 PRO A 32 13.240 -8.931 -5.488 1.00 0.00 H new ATOM 0 HD3 PRO A 32 12.463 -10.128 -4.471 1.00 0.00 H new ATOM 454 N MET A 33 13.960 -5.851 -1.693 1.00 0.00 N ATOM 455 CA MET A 33 14.684 -4.588 -1.605 1.00 0.00 C ATOM 456 C MET A 33 14.996 -4.241 -0.153 1.00 0.00 C ATOM 457 O MET A 33 14.141 -4.368 0.723 1.00 0.00 O ATOM 458 CB MET A 33 13.870 -3.463 -2.247 1.00 0.00 C ATOM 459 CG MET A 33 14.595 -2.128 -2.273 1.00 0.00 C ATOM 460 SD MET A 33 14.065 -1.076 -3.639 1.00 0.00 S ATOM 461 CE MET A 33 12.404 -0.655 -3.117 1.00 0.00 C ATOM 0 H MET A 33 13.054 -5.851 -1.224 1.00 0.00 H new ATOM 0 HA MET A 33 15.625 -4.699 -2.144 1.00 0.00 H new ATOM 0 HB2 MET A 33 13.613 -3.748 -3.267 1.00 0.00 H new ATOM 0 HB3 MET A 33 12.933 -3.348 -1.703 1.00 0.00 H new ATOM 0 HG2 MET A 33 14.423 -1.607 -1.331 1.00 0.00 H new ATOM 0 HG3 MET A 33 15.668 -2.303 -2.350 1.00 0.00 H new ATOM 0 HE1 MET A 33 11.864 -0.206 -3.950 1.00 0.00 H new ATOM 0 HE2 MET A 33 11.885 -1.557 -2.792 1.00 0.00 H new ATOM 0 HE3 MET A 33 12.451 0.054 -2.291 1.00 0.00 H new ATOM 471 N GLU A 34 16.227 -3.803 0.095 1.00 0.00 N ATOM 472 CA GLU A 34 16.651 -3.439 1.442 1.00 0.00 C ATOM 473 C GLU A 34 15.941 -2.173 1.912 1.00 0.00 C ATOM 474 O GLU A 34 15.391 -1.421 1.107 1.00 0.00 O ATOM 475 CB GLU A 34 18.167 -3.232 1.485 1.00 0.00 C ATOM 476 CG GLU A 34 18.959 -4.527 1.427 1.00 0.00 C ATOM 477 CD GLU A 34 19.043 -5.221 2.772 1.00 0.00 C ATOM 478 OE1 GLU A 34 17.998 -5.706 3.255 1.00 0.00 O ATOM 479 OE2 GLU A 34 20.152 -5.279 3.343 1.00 0.00 O ATOM 0 H GLU A 34 16.947 -3.692 -0.619 1.00 0.00 H new ATOM 0 HA GLU A 34 16.384 -4.256 2.113 1.00 0.00 H new ATOM 0 HB2 GLU A 34 18.463 -2.597 0.650 1.00 0.00 H new ATOM 0 HB3 GLU A 34 18.427 -2.698 2.399 1.00 0.00 H new ATOM 0 HG2 GLU A 34 18.497 -5.199 0.704 1.00 0.00 H new ATOM 0 HG3 GLU A 34 19.966 -4.316 1.068 1.00 0.00 H new ATOM 486 N ARG A 35 15.956 -1.945 3.221 1.00 0.00 N ATOM 487 CA ARG A 35 15.312 -0.772 3.800 1.00 0.00 C ATOM 488 C ARG A 35 15.890 0.512 3.210 1.00 0.00 C ATOM 489 O ARG A 35 15.155 1.356 2.697 1.00 0.00 O ATOM 490 CB ARG A 35 15.482 -0.768 5.320 1.00 0.00 C ATOM 491 CG ARG A 35 14.958 0.492 5.989 1.00 0.00 C ATOM 492 CD ARG A 35 15.219 0.478 7.487 1.00 0.00 C ATOM 493 NE ARG A 35 16.593 0.857 7.806 1.00 0.00 N ATOM 494 CZ ARG A 35 16.964 1.357 8.980 1.00 0.00 C ATOM 495 NH1 ARG A 35 16.068 1.536 9.940 1.00 0.00 N ATOM 496 NH2 ARG A 35 18.233 1.677 9.195 1.00 0.00 N ATOM 0 H ARG A 35 16.407 -2.557 3.901 1.00 0.00 H new ATOM 0 HA ARG A 35 14.250 -0.817 3.560 1.00 0.00 H new ATOM 0 HB2 ARG A 35 14.965 -1.632 5.737 1.00 0.00 H new ATOM 0 HB3 ARG A 35 16.539 -0.883 5.559 1.00 0.00 H new ATOM 0 HG2 ARG A 35 15.434 1.366 5.544 1.00 0.00 H new ATOM 0 HG3 ARG A 35 13.887 0.584 5.806 1.00 0.00 H new ATOM 0 HD2 ARG A 35 14.530 1.163 7.982 1.00 0.00 H new ATOM 0 HD3 ARG A 35 15.017 -0.518 7.881 1.00 0.00 H new ATOM 0 HE ARG A 35 17.307 0.731 7.088 1.00 0.00 H new ATOM 0 HH11 ARG A 35 15.091 1.290 9.778 1.00 0.00 H new ATOM 0 HH12 ARG A 35 16.355 1.920 10.840 1.00 0.00 H new ATOM 0 HH21 ARG A 35 18.925 1.539 8.459 1.00 0.00 H new ATOM 0 HH22 ARG A 35 18.517 2.061 10.097 1.00 0.00 H new ATOM 510 N ALA A 36 17.209 0.651 3.287 1.00 0.00 N ATOM 511 CA ALA A 36 17.885 1.830 2.760 1.00 0.00 C ATOM 512 C ALA A 36 17.314 2.230 1.404 1.00 0.00 C ATOM 513 O ALA A 36 17.038 3.403 1.156 1.00 0.00 O ATOM 514 CB ALA A 36 19.381 1.577 2.651 1.00 0.00 C ATOM 0 H ALA A 36 17.831 -0.038 3.709 1.00 0.00 H new ATOM 0 HA ALA A 36 17.717 2.654 3.453 1.00 0.00 H new ATOM 0 HB1 ALA A 36 19.873 2.466 2.256 1.00 0.00 H new ATOM 0 HB2 ALA A 36 19.784 1.348 3.637 1.00 0.00 H new ATOM 0 HB3 ALA A 36 19.560 0.736 1.981 1.00 0.00 H new ATOM 520 N GLY A 37 17.140 1.245 0.527 1.00 0.00 N ATOM 521 CA GLY A 37 16.603 1.515 -0.794 1.00 0.00 C ATOM 522 C GLY A 37 15.286 2.263 -0.744 1.00 0.00 C ATOM 523 O GLY A 37 15.191 3.398 -1.210 1.00 0.00 O ATOM 0 H GLY A 37 17.361 0.266 0.708 1.00 0.00 H new ATOM 0 HA2 GLY A 37 17.326 2.098 -1.364 1.00 0.00 H new ATOM 0 HA3 GLY A 37 16.462 0.573 -1.325 1.00 0.00 H new ATOM 527 N ALA A 38 14.267 1.625 -0.178 1.00 0.00 N ATOM 528 CA ALA A 38 12.949 2.238 -0.068 1.00 0.00 C ATOM 529 C ALA A 38 13.045 3.651 0.497 1.00 0.00 C ATOM 530 O ALA A 38 12.270 4.532 0.126 1.00 0.00 O ATOM 531 CB ALA A 38 12.039 1.382 0.800 1.00 0.00 C ATOM 0 H ALA A 38 14.329 0.684 0.211 1.00 0.00 H new ATOM 0 HA ALA A 38 12.522 2.303 -1.069 1.00 0.00 H new ATOM 0 HB1 ALA A 38 11.058 1.852 0.873 1.00 0.00 H new ATOM 0 HB2 ALA A 38 11.935 0.393 0.353 1.00 0.00 H new ATOM 0 HB3 ALA A 38 12.471 1.287 1.796 1.00 0.00 H new ATOM 537 N GLU A 39 14.002 3.860 1.396 1.00 0.00 N ATOM 538 CA GLU A 39 14.198 5.166 2.013 1.00 0.00 C ATOM 539 C GLU A 39 14.917 6.116 1.059 1.00 0.00 C ATOM 540 O GLU A 39 14.780 7.335 1.160 1.00 0.00 O ATOM 541 CB GLU A 39 14.996 5.028 3.311 1.00 0.00 C ATOM 542 CG GLU A 39 14.336 4.123 4.338 1.00 0.00 C ATOM 543 CD GLU A 39 14.725 4.475 5.761 1.00 0.00 C ATOM 544 OE1 GLU A 39 14.454 5.619 6.183 1.00 0.00 O ATOM 545 OE2 GLU A 39 15.299 3.608 6.452 1.00 0.00 O ATOM 0 H GLU A 39 14.653 3.142 1.713 1.00 0.00 H new ATOM 0 HA GLU A 39 13.217 5.582 2.242 1.00 0.00 H new ATOM 0 HB2 GLU A 39 15.987 4.638 3.079 1.00 0.00 H new ATOM 0 HB3 GLU A 39 15.137 6.017 3.748 1.00 0.00 H new ATOM 0 HG2 GLU A 39 13.253 4.191 4.234 1.00 0.00 H new ATOM 0 HG3 GLU A 39 14.612 3.088 4.135 1.00 0.00 H new ATOM 552 N SER A 40 15.684 5.547 0.134 1.00 0.00 N ATOM 553 CA SER A 40 16.429 6.342 -0.835 1.00 0.00 C ATOM 554 C SER A 40 15.601 6.577 -2.095 1.00 0.00 C ATOM 555 O SER A 40 15.857 7.513 -2.853 1.00 0.00 O ATOM 556 CB SER A 40 17.742 5.646 -1.196 1.00 0.00 C ATOM 557 OG SER A 40 18.468 6.392 -2.158 1.00 0.00 O ATOM 0 H SER A 40 15.806 4.539 0.035 1.00 0.00 H new ATOM 0 HA SER A 40 16.652 7.308 -0.382 1.00 0.00 H new ATOM 0 HB2 SER A 40 18.347 5.517 -0.299 1.00 0.00 H new ATOM 0 HB3 SER A 40 17.534 4.650 -1.586 1.00 0.00 H new ATOM 0 HG SER A 40 19.304 5.926 -2.370 1.00 0.00 H new ATOM 563 N ILE A 41 14.609 5.721 -2.312 1.00 0.00 N ATOM 564 CA ILE A 41 13.743 5.835 -3.479 1.00 0.00 C ATOM 565 C ILE A 41 12.613 6.829 -3.230 1.00 0.00 C ATOM 566 O ILE A 41 12.506 7.848 -3.913 1.00 0.00 O ATOM 567 CB ILE A 41 13.137 4.473 -3.866 1.00 0.00 C ATOM 568 CG1 ILE A 41 14.223 3.545 -4.415 1.00 0.00 C ATOM 569 CG2 ILE A 41 12.026 4.659 -4.888 1.00 0.00 C ATOM 570 CD1 ILE A 41 13.926 2.077 -4.203 1.00 0.00 C ATOM 0 H ILE A 41 14.385 4.940 -1.695 1.00 0.00 H new ATOM 0 HA ILE A 41 14.365 6.193 -4.299 1.00 0.00 H new ATOM 0 HB ILE A 41 12.710 4.015 -2.974 1.00 0.00 H new ATOM 0 HG12 ILE A 41 14.345 3.733 -5.482 1.00 0.00 H new ATOM 0 HG13 ILE A 41 15.173 3.788 -3.938 1.00 0.00 H new ATOM 0 HG21 ILE A 41 11.608 3.688 -5.152 1.00 0.00 H new ATOM 0 HG22 ILE A 41 11.243 5.288 -4.464 1.00 0.00 H new ATOM 0 HG23 ILE A 41 12.430 5.135 -5.782 1.00 0.00 H new ATOM 0 HD11 ILE A 41 14.737 1.478 -4.617 1.00 0.00 H new ATOM 0 HD12 ILE A 41 13.833 1.875 -3.136 1.00 0.00 H new ATOM 0 HD13 ILE A 41 12.993 1.819 -4.704 1.00 0.00 H new ATOM 582 N LEU A 42 11.773 6.527 -2.246 1.00 0.00 N ATOM 583 CA LEU A 42 10.651 7.394 -1.905 1.00 0.00 C ATOM 584 C LEU A 42 11.126 8.619 -1.129 1.00 0.00 C ATOM 585 O LEU A 42 10.325 9.466 -0.736 1.00 0.00 O ATOM 586 CB LEU A 42 9.618 6.624 -1.081 1.00 0.00 C ATOM 587 CG LEU A 42 9.257 5.229 -1.592 1.00 0.00 C ATOM 588 CD1 LEU A 42 8.455 4.469 -0.547 1.00 0.00 C ATOM 589 CD2 LEU A 42 8.481 5.323 -2.898 1.00 0.00 C ATOM 0 H LEU A 42 11.848 5.688 -1.670 1.00 0.00 H new ATOM 0 HA LEU A 42 10.189 7.731 -2.833 1.00 0.00 H new ATOM 0 HB2 LEU A 42 9.993 6.530 -0.062 1.00 0.00 H new ATOM 0 HB3 LEU A 42 8.706 7.218 -1.032 1.00 0.00 H new ATOM 0 HG LEU A 42 10.181 4.682 -1.780 1.00 0.00 H new ATOM 0 HD11 LEU A 42 8.207 3.478 -0.928 1.00 0.00 H new ATOM 0 HD12 LEU A 42 9.046 4.370 0.364 1.00 0.00 H new ATOM 0 HD13 LEU A 42 7.537 5.013 -0.326 1.00 0.00 H new ATOM 0 HD21 LEU A 42 8.233 4.321 -3.247 1.00 0.00 H new ATOM 0 HD22 LEU A 42 7.563 5.889 -2.736 1.00 0.00 H new ATOM 0 HD23 LEU A 42 9.090 5.827 -3.648 1.00 0.00 H new ATOM 601 N ALA A 43 12.435 8.706 -0.915 1.00 0.00 N ATOM 602 CA ALA A 43 13.018 9.829 -0.191 1.00 0.00 C ATOM 603 C ALA A 43 12.283 11.127 -0.508 1.00 0.00 C ATOM 604 O ALA A 43 11.555 11.659 0.329 1.00 0.00 O ATOM 605 CB ALA A 43 14.496 9.962 -0.524 1.00 0.00 C ATOM 0 H ALA A 43 13.112 8.012 -1.233 1.00 0.00 H new ATOM 0 HA ALA A 43 12.914 9.634 0.876 1.00 0.00 H new ATOM 0 HB1 ALA A 43 14.918 10.805 0.024 1.00 0.00 H new ATOM 0 HB2 ALA A 43 15.017 9.047 -0.240 1.00 0.00 H new ATOM 0 HB3 ALA A 43 14.614 10.129 -1.595 1.00 0.00 H new ATOM 611 N ASN A 44 12.480 11.632 -1.721 1.00 0.00 N ATOM 612 CA ASN A 44 11.837 12.869 -2.148 1.00 0.00 C ATOM 613 C ASN A 44 10.880 12.613 -3.308 1.00 0.00 C ATOM 614 O ASN A 44 10.520 13.532 -4.044 1.00 0.00 O ATOM 615 CB ASN A 44 12.890 13.900 -2.559 1.00 0.00 C ATOM 616 CG ASN A 44 13.351 14.752 -1.392 1.00 0.00 C ATOM 617 OD1 ASN A 44 12.613 14.956 -0.428 1.00 0.00 O ATOM 618 ND2 ASN A 44 14.577 15.255 -1.476 1.00 0.00 N ATOM 0 H ASN A 44 13.080 11.204 -2.426 1.00 0.00 H new ATOM 0 HA ASN A 44 11.264 13.260 -1.307 1.00 0.00 H new ATOM 0 HB2 ASN A 44 13.748 13.386 -2.992 1.00 0.00 H new ATOM 0 HB3 ASN A 44 12.480 14.545 -3.336 1.00 0.00 H new ATOM 0 HD21 ASN A 44 14.942 15.837 -0.722 1.00 0.00 H new ATOM 0 HD22 ASN A 44 15.154 15.059 -2.294 1.00 0.00 H new ATOM 625 N ARG A 45 10.471 11.358 -3.464 1.00 0.00 N ATOM 626 CA ARG A 45 9.556 10.980 -4.535 1.00 0.00 C ATOM 627 C ARG A 45 8.294 11.837 -4.499 1.00 0.00 C ATOM 628 O ARG A 45 8.140 12.766 -5.292 1.00 0.00 O ATOM 629 CB ARG A 45 9.184 9.501 -4.418 1.00 0.00 C ATOM 630 CG ARG A 45 10.104 8.578 -5.202 1.00 0.00 C ATOM 631 CD ARG A 45 9.689 8.488 -6.662 1.00 0.00 C ATOM 632 NE ARG A 45 10.068 7.211 -7.261 1.00 0.00 N ATOM 633 CZ ARG A 45 10.200 7.023 -8.569 1.00 0.00 C ATOM 634 NH1 ARG A 45 9.986 8.024 -9.411 1.00 0.00 N ATOM 635 NH2 ARG A 45 10.547 5.831 -9.038 1.00 0.00 N ATOM 0 H ARG A 45 10.759 10.586 -2.863 1.00 0.00 H new ATOM 0 HA ARG A 45 10.061 11.147 -5.486 1.00 0.00 H new ATOM 0 HB2 ARG A 45 9.203 9.212 -3.367 1.00 0.00 H new ATOM 0 HB3 ARG A 45 8.161 9.363 -4.768 1.00 0.00 H new ATOM 0 HG2 ARG A 45 11.129 8.942 -5.136 1.00 0.00 H new ATOM 0 HG3 ARG A 45 10.089 7.583 -4.756 1.00 0.00 H new ATOM 0 HD2 ARG A 45 8.610 8.619 -6.741 1.00 0.00 H new ATOM 0 HD3 ARG A 45 10.151 9.302 -7.221 1.00 0.00 H new ATOM 0 HE ARG A 45 10.241 6.420 -6.641 1.00 0.00 H new ATOM 0 HH11 ARG A 45 9.719 8.942 -9.055 1.00 0.00 H new ATOM 0 HH12 ARG A 45 10.088 7.877 -10.415 1.00 0.00 H new ATOM 0 HH21 ARG A 45 10.713 5.058 -8.394 1.00 0.00 H new ATOM 0 HH22 ARG A 45 10.648 5.688 -10.043 1.00 0.00 H new ATOM 649 N SER A 46 7.394 11.518 -3.575 1.00 0.00 N ATOM 650 CA SER A 46 6.144 12.256 -3.439 1.00 0.00 C ATOM 651 C SER A 46 5.323 11.722 -2.269 1.00 0.00 C ATOM 652 O SER A 46 4.864 10.580 -2.289 1.00 0.00 O ATOM 653 CB SER A 46 5.330 12.165 -4.731 1.00 0.00 C ATOM 654 OG SER A 46 4.539 13.326 -4.919 1.00 0.00 O ATOM 0 H SER A 46 7.507 10.753 -2.909 1.00 0.00 H new ATOM 0 HA SER A 46 6.387 13.301 -3.244 1.00 0.00 H new ATOM 0 HB2 SER A 46 6.002 12.038 -5.580 1.00 0.00 H new ATOM 0 HB3 SER A 46 4.688 11.285 -4.698 1.00 0.00 H new ATOM 0 HG SER A 46 4.030 13.244 -5.752 1.00 0.00 H new ATOM 660 N ASP A 47 5.142 12.557 -1.252 1.00 0.00 N ATOM 661 CA ASP A 47 4.375 12.171 -0.073 1.00 0.00 C ATOM 662 C ASP A 47 3.215 11.257 -0.454 1.00 0.00 C ATOM 663 O ASP A 47 2.229 11.702 -1.040 1.00 0.00 O ATOM 664 CB ASP A 47 3.848 13.413 0.648 1.00 0.00 C ATOM 665 CG ASP A 47 2.739 14.102 -0.123 1.00 0.00 C ATOM 666 OD1 ASP A 47 3.054 14.862 -1.062 1.00 0.00 O ATOM 667 OD2 ASP A 47 1.556 13.882 0.214 1.00 0.00 O ATOM 0 H ASP A 47 5.516 13.505 -1.220 1.00 0.00 H new ATOM 0 HA ASP A 47 5.038 11.625 0.598 1.00 0.00 H new ATOM 0 HB2 ASP A 47 3.479 13.129 1.633 1.00 0.00 H new ATOM 0 HB3 ASP A 47 4.668 14.114 0.805 1.00 0.00 H new ATOM 672 N GLY A 48 3.340 9.977 -0.118 1.00 0.00 N ATOM 673 CA GLY A 48 2.296 9.021 -0.434 1.00 0.00 C ATOM 674 C GLY A 48 2.790 7.893 -1.318 1.00 0.00 C ATOM 675 O GLY A 48 2.099 6.891 -1.504 1.00 0.00 O ATOM 0 H GLY A 48 4.147 9.585 0.368 1.00 0.00 H new ATOM 0 HA2 GLY A 48 1.897 8.605 0.491 1.00 0.00 H new ATOM 0 HA3 GLY A 48 1.475 9.536 -0.933 1.00 0.00 H new ATOM 679 N THR A 49 3.990 8.055 -1.866 1.00 0.00 N ATOM 680 CA THR A 49 4.575 7.044 -2.738 1.00 0.00 C ATOM 681 C THR A 49 4.849 5.753 -1.975 1.00 0.00 C ATOM 682 O THR A 49 5.851 5.638 -1.268 1.00 0.00 O ATOM 683 CB THR A 49 5.888 7.541 -3.371 1.00 0.00 C ATOM 684 OG1 THR A 49 5.730 8.885 -3.838 1.00 0.00 O ATOM 685 CG2 THR A 49 6.304 6.644 -4.527 1.00 0.00 C ATOM 0 H THR A 49 4.576 8.877 -1.721 1.00 0.00 H new ATOM 0 HA THR A 49 3.850 6.849 -3.528 1.00 0.00 H new ATOM 0 HB THR A 49 6.667 7.511 -2.609 1.00 0.00 H new ATOM 0 HG1 THR A 49 5.881 9.509 -3.097 1.00 0.00 H new ATOM 0 HG21 THR A 49 7.234 7.014 -4.959 1.00 0.00 H new ATOM 0 HG22 THR A 49 6.452 5.627 -4.163 1.00 0.00 H new ATOM 0 HG23 THR A 49 5.524 6.647 -5.289 1.00 0.00 H new ATOM 693 N PHE A 50 3.953 4.783 -2.123 1.00 0.00 N ATOM 694 CA PHE A 50 4.098 3.499 -1.447 1.00 0.00 C ATOM 695 C PHE A 50 4.851 2.504 -2.326 1.00 0.00 C ATOM 696 O PHE A 50 4.764 2.552 -3.554 1.00 0.00 O ATOM 697 CB PHE A 50 2.725 2.934 -1.079 1.00 0.00 C ATOM 698 CG PHE A 50 1.977 2.365 -2.251 1.00 0.00 C ATOM 699 CD1 PHE A 50 1.332 3.201 -3.150 1.00 0.00 C ATOM 700 CD2 PHE A 50 1.919 0.996 -2.455 1.00 0.00 C ATOM 701 CE1 PHE A 50 0.643 2.681 -4.228 1.00 0.00 C ATOM 702 CE2 PHE A 50 1.231 0.470 -3.533 1.00 0.00 C ATOM 703 CZ PHE A 50 0.593 1.314 -4.421 1.00 0.00 C ATOM 0 H PHE A 50 3.119 4.862 -2.705 1.00 0.00 H new ATOM 0 HA PHE A 50 4.673 3.660 -0.535 1.00 0.00 H new ATOM 0 HB2 PHE A 50 2.851 2.156 -0.326 1.00 0.00 H new ATOM 0 HB3 PHE A 50 2.126 3.723 -0.624 1.00 0.00 H new ATOM 0 HD1 PHE A 50 1.369 4.271 -3.005 1.00 0.00 H new ATOM 0 HD2 PHE A 50 2.417 0.332 -1.764 1.00 0.00 H new ATOM 0 HE1 PHE A 50 0.143 3.343 -4.920 1.00 0.00 H new ATOM 0 HE2 PHE A 50 1.193 -0.599 -3.680 1.00 0.00 H new ATOM 0 HZ PHE A 50 0.056 0.906 -5.265 1.00 0.00 H new ATOM 713 N LEU A 51 5.591 1.603 -1.689 1.00 0.00 N ATOM 714 CA LEU A 51 6.361 0.596 -2.411 1.00 0.00 C ATOM 715 C LEU A 51 6.508 -0.676 -1.581 1.00 0.00 C ATOM 716 O LEU A 51 6.873 -0.624 -0.407 1.00 0.00 O ATOM 717 CB LEU A 51 7.742 1.144 -2.774 1.00 0.00 C ATOM 718 CG LEU A 51 8.862 0.858 -1.773 1.00 0.00 C ATOM 719 CD1 LEU A 51 9.475 -0.508 -2.035 1.00 0.00 C ATOM 720 CD2 LEU A 51 9.926 1.944 -1.838 1.00 0.00 C ATOM 0 H LEU A 51 5.674 1.549 -0.674 1.00 0.00 H new ATOM 0 HA LEU A 51 5.823 0.350 -3.326 1.00 0.00 H new ATOM 0 HB2 LEU A 51 8.032 0.732 -3.741 1.00 0.00 H new ATOM 0 HB3 LEU A 51 7.661 2.224 -2.899 1.00 0.00 H new ATOM 0 HG LEU A 51 8.435 0.856 -0.770 1.00 0.00 H new ATOM 0 HD11 LEU A 51 10.270 -0.694 -1.313 1.00 0.00 H new ATOM 0 HD12 LEU A 51 8.708 -1.276 -1.936 1.00 0.00 H new ATOM 0 HD13 LEU A 51 9.887 -0.534 -3.044 1.00 0.00 H new ATOM 0 HD21 LEU A 51 10.715 1.724 -1.119 1.00 0.00 H new ATOM 0 HD22 LEU A 51 10.349 1.979 -2.842 1.00 0.00 H new ATOM 0 HD23 LEU A 51 9.477 2.908 -1.600 1.00 0.00 H new ATOM 732 N VAL A 52 6.223 -1.817 -2.201 1.00 0.00 N ATOM 733 CA VAL A 52 6.327 -3.102 -1.521 1.00 0.00 C ATOM 734 C VAL A 52 7.643 -3.795 -1.855 1.00 0.00 C ATOM 735 O VAL A 52 8.103 -3.761 -2.996 1.00 0.00 O ATOM 736 CB VAL A 52 5.159 -4.033 -1.899 1.00 0.00 C ATOM 737 CG1 VAL A 52 5.038 -5.172 -0.898 1.00 0.00 C ATOM 738 CG2 VAL A 52 3.859 -3.248 -1.985 1.00 0.00 C ATOM 0 H VAL A 52 5.918 -1.877 -3.173 1.00 0.00 H new ATOM 0 HA VAL A 52 6.288 -2.898 -0.451 1.00 0.00 H new ATOM 0 HB VAL A 52 5.363 -4.463 -2.880 1.00 0.00 H new ATOM 0 HG11 VAL A 52 4.208 -5.819 -1.181 1.00 0.00 H new ATOM 0 HG12 VAL A 52 5.962 -5.750 -0.891 1.00 0.00 H new ATOM 0 HG13 VAL A 52 4.857 -4.765 0.097 1.00 0.00 H new ATOM 0 HG21 VAL A 52 3.045 -3.921 -2.253 1.00 0.00 H new ATOM 0 HG22 VAL A 52 3.647 -2.788 -1.020 1.00 0.00 H new ATOM 0 HG23 VAL A 52 3.952 -2.471 -2.744 1.00 0.00 H new ATOM 748 N ARG A 53 8.245 -4.425 -0.850 1.00 0.00 N ATOM 749 CA ARG A 53 9.509 -5.126 -1.037 1.00 0.00 C ATOM 750 C ARG A 53 9.564 -6.386 -0.178 1.00 0.00 C ATOM 751 O ARG A 53 8.714 -6.596 0.687 1.00 0.00 O ATOM 752 CB ARG A 53 10.682 -4.208 -0.688 1.00 0.00 C ATOM 753 CG ARG A 53 10.781 -3.882 0.793 1.00 0.00 C ATOM 754 CD ARG A 53 11.295 -2.468 1.019 1.00 0.00 C ATOM 755 NE ARG A 53 11.088 -2.024 2.394 1.00 0.00 N ATOM 756 CZ ARG A 53 9.889 -1.832 2.932 1.00 0.00 C ATOM 757 NH1 ARG A 53 8.795 -2.045 2.214 1.00 0.00 N ATOM 758 NH2 ARG A 53 9.782 -1.427 4.191 1.00 0.00 N ATOM 0 H ARG A 53 7.877 -4.464 0.101 1.00 0.00 H new ATOM 0 HA ARG A 53 9.583 -5.417 -2.085 1.00 0.00 H new ATOM 0 HB2 ARG A 53 11.610 -4.680 -1.010 1.00 0.00 H new ATOM 0 HB3 ARG A 53 10.585 -3.279 -1.250 1.00 0.00 H new ATOM 0 HG2 ARG A 53 9.801 -3.993 1.257 1.00 0.00 H new ATOM 0 HG3 ARG A 53 11.447 -4.595 1.280 1.00 0.00 H new ATOM 0 HD2 ARG A 53 12.358 -2.426 0.781 1.00 0.00 H new ATOM 0 HD3 ARG A 53 10.788 -1.785 0.337 1.00 0.00 H new ATOM 0 HE ARG A 53 11.909 -1.852 2.974 1.00 0.00 H new ATOM 0 HH11 ARG A 53 8.873 -2.357 1.246 1.00 0.00 H new ATOM 0 HH12 ARG A 53 7.875 -1.897 2.630 1.00 0.00 H new ATOM 0 HH21 ARG A 53 10.621 -1.263 4.747 1.00 0.00 H new ATOM 0 HH22 ARG A 53 8.861 -1.280 4.603 1.00 0.00 H new ATOM 898 N PHE A 62 6.786 -9.811 3.057 1.00 0.00 N ATOM 899 CA PHE A 62 6.477 -8.597 2.310 1.00 0.00 C ATOM 900 C PHE A 62 6.367 -7.396 3.245 1.00 0.00 C ATOM 901 O PHE A 62 6.016 -7.538 4.416 1.00 0.00 O ATOM 902 CB PHE A 62 5.172 -8.771 1.530 1.00 0.00 C ATOM 903 CG PHE A 62 5.224 -9.876 0.514 1.00 0.00 C ATOM 904 CD1 PHE A 62 4.975 -11.188 0.884 1.00 0.00 C ATOM 905 CD2 PHE A 62 5.521 -9.602 -0.811 1.00 0.00 C ATOM 906 CE1 PHE A 62 5.023 -12.206 -0.049 1.00 0.00 C ATOM 907 CE2 PHE A 62 5.570 -10.617 -1.749 1.00 0.00 C ATOM 908 CZ PHE A 62 5.319 -11.920 -1.368 1.00 0.00 C ATOM 0 HA PHE A 62 7.291 -8.415 1.608 1.00 0.00 H new ATOM 0 HB2 PHE A 62 4.362 -8.971 2.232 1.00 0.00 H new ATOM 0 HB3 PHE A 62 4.932 -7.835 1.025 1.00 0.00 H new ATOM 0 HD1 PHE A 62 4.741 -11.417 1.913 1.00 0.00 H new ATOM 0 HD2 PHE A 62 5.716 -8.584 -1.115 1.00 0.00 H new ATOM 0 HE1 PHE A 62 4.829 -13.225 0.253 1.00 0.00 H new ATOM 0 HE2 PHE A 62 5.804 -10.391 -2.779 1.00 0.00 H new ATOM 0 HZ PHE A 62 5.354 -12.714 -2.099 1.00 0.00 H new ATOM 918 N ALA A 63 6.671 -6.214 2.719 1.00 0.00 N ATOM 919 CA ALA A 63 6.606 -4.988 3.505 1.00 0.00 C ATOM 920 C ALA A 63 6.265 -3.790 2.625 1.00 0.00 C ATOM 921 O ALA A 63 6.912 -3.554 1.605 1.00 0.00 O ATOM 922 CB ALA A 63 7.923 -4.756 4.230 1.00 0.00 C ATOM 0 H ALA A 63 6.965 -6.080 1.752 1.00 0.00 H new ATOM 0 HA ALA A 63 5.813 -5.100 4.244 1.00 0.00 H new ATOM 0 HB1 ALA A 63 7.860 -3.837 4.813 1.00 0.00 H new ATOM 0 HB2 ALA A 63 8.125 -5.595 4.896 1.00 0.00 H new ATOM 0 HB3 ALA A 63 8.729 -4.669 3.501 1.00 0.00 H new ATOM 928 N ILE A 64 5.246 -3.038 3.027 1.00 0.00 N ATOM 929 CA ILE A 64 4.821 -1.864 2.275 1.00 0.00 C ATOM 930 C ILE A 64 5.368 -0.584 2.898 1.00 0.00 C ATOM 931 O ILE A 64 4.977 -0.202 4.001 1.00 0.00 O ATOM 932 CB ILE A 64 3.285 -1.770 2.200 1.00 0.00 C ATOM 933 CG1 ILE A 64 2.726 -2.886 1.316 1.00 0.00 C ATOM 934 CG2 ILE A 64 2.864 -0.407 1.672 1.00 0.00 C ATOM 935 CD1 ILE A 64 1.357 -3.366 1.743 1.00 0.00 C ATOM 0 H ILE A 64 4.700 -3.221 3.869 1.00 0.00 H new ATOM 0 HA ILE A 64 5.220 -1.973 1.267 1.00 0.00 H new ATOM 0 HB ILE A 64 2.879 -1.891 3.204 1.00 0.00 H new ATOM 0 HG12 ILE A 64 2.673 -2.531 0.287 1.00 0.00 H new ATOM 0 HG13 ILE A 64 3.418 -3.728 1.328 1.00 0.00 H new ATOM 0 HG21 ILE A 64 1.776 -0.355 1.625 1.00 0.00 H new ATOM 0 HG22 ILE A 64 3.236 0.372 2.338 1.00 0.00 H new ATOM 0 HG23 ILE A 64 3.278 -0.259 0.675 1.00 0.00 H new ATOM 0 HD11 ILE A 64 1.023 -4.157 1.072 1.00 0.00 H new ATOM 0 HD12 ILE A 64 1.408 -3.752 2.761 1.00 0.00 H new ATOM 0 HD13 ILE A 64 0.652 -2.536 1.704 1.00 0.00 H new ATOM 947 N SER A 65 6.274 0.075 2.182 1.00 0.00 N ATOM 948 CA SER A 65 6.877 1.312 2.666 1.00 0.00 C ATOM 949 C SER A 65 6.471 2.492 1.788 1.00 0.00 C ATOM 950 O SER A 65 6.584 2.437 0.563 1.00 0.00 O ATOM 951 CB SER A 65 8.401 1.183 2.695 1.00 0.00 C ATOM 952 OG SER A 65 8.970 2.077 3.636 1.00 0.00 O ATOM 0 H SER A 65 6.606 -0.226 1.266 1.00 0.00 H new ATOM 0 HA SER A 65 6.516 1.493 3.678 1.00 0.00 H new ATOM 0 HB2 SER A 65 8.678 0.159 2.947 1.00 0.00 H new ATOM 0 HB3 SER A 65 8.805 1.387 1.704 1.00 0.00 H new ATOM 0 HG SER A 65 9.338 1.569 4.389 1.00 0.00 H new ATOM 958 N ILE A 66 5.999 3.559 2.425 1.00 0.00 N ATOM 959 CA ILE A 66 5.578 4.754 1.703 1.00 0.00 C ATOM 960 C ILE A 66 6.147 6.014 2.346 1.00 0.00 C ATOM 961 O ILE A 66 6.546 6.004 3.511 1.00 0.00 O ATOM 962 CB ILE A 66 4.043 4.867 1.650 1.00 0.00 C ATOM 963 CG1 ILE A 66 3.547 5.872 2.691 1.00 0.00 C ATOM 964 CG2 ILE A 66 3.403 3.505 1.874 1.00 0.00 C ATOM 965 CD1 ILE A 66 3.937 5.515 4.109 1.00 0.00 C ATOM 0 H ILE A 66 5.899 3.620 3.438 1.00 0.00 H new ATOM 0 HA ILE A 66 5.963 4.662 0.688 1.00 0.00 H new ATOM 0 HB ILE A 66 3.754 5.224 0.661 1.00 0.00 H new ATOM 0 HG12 ILE A 66 3.945 6.858 2.451 1.00 0.00 H new ATOM 0 HG13 ILE A 66 2.461 5.942 2.628 1.00 0.00 H new ATOM 0 HG21 ILE A 66 2.318 3.602 1.834 1.00 0.00 H new ATOM 0 HG22 ILE A 66 3.735 2.815 1.098 1.00 0.00 H new ATOM 0 HG23 ILE A 66 3.697 3.121 2.851 1.00 0.00 H new ATOM 0 HD11 ILE A 66 3.552 6.271 4.793 1.00 0.00 H new ATOM 0 HD12 ILE A 66 3.517 4.543 4.368 1.00 0.00 H new ATOM 0 HD13 ILE A 66 5.023 5.473 4.188 1.00 0.00 H new ATOM 977 N LYS A 67 6.181 7.099 1.580 1.00 0.00 N ATOM 978 CA LYS A 67 6.699 8.369 2.075 1.00 0.00 C ATOM 979 C LYS A 67 5.603 9.167 2.775 1.00 0.00 C ATOM 980 O LYS A 67 4.629 9.584 2.149 1.00 0.00 O ATOM 981 CB LYS A 67 7.283 9.188 0.922 1.00 0.00 C ATOM 982 CG LYS A 67 8.043 10.422 1.377 1.00 0.00 C ATOM 983 CD LYS A 67 9.323 10.051 2.106 1.00 0.00 C ATOM 984 CE LYS A 67 9.854 11.215 2.929 1.00 0.00 C ATOM 985 NZ LYS A 67 11.304 11.067 3.230 1.00 0.00 N ATOM 0 H LYS A 67 5.856 7.124 0.614 1.00 0.00 H new ATOM 0 HA LYS A 67 7.487 8.156 2.797 1.00 0.00 H new ATOM 0 HB2 LYS A 67 7.951 8.554 0.339 1.00 0.00 H new ATOM 0 HB3 LYS A 67 6.474 9.494 0.258 1.00 0.00 H new ATOM 0 HG2 LYS A 67 8.282 11.042 0.513 1.00 0.00 H new ATOM 0 HG3 LYS A 67 7.410 11.019 2.033 1.00 0.00 H new ATOM 0 HD2 LYS A 67 9.137 9.198 2.758 1.00 0.00 H new ATOM 0 HD3 LYS A 67 10.078 9.741 1.383 1.00 0.00 H new ATOM 0 HE2 LYS A 67 9.689 12.147 2.388 1.00 0.00 H new ATOM 0 HE3 LYS A 67 9.295 11.285 3.862 1.00 0.00 H new ATOM 0 HZ1 LYS A 67 11.589 11.784 3.928 1.00 0.00 H new ATOM 0 HZ2 LYS A 67 11.483 10.118 3.615 1.00 0.00 H new ATOM 0 HZ3 LYS A 67 11.855 11.196 2.357 1.00 0.00 H new ATOM 999 N TYR A 68 5.771 9.377 4.076 1.00 0.00 N ATOM 1000 CA TYR A 68 4.796 10.124 4.861 1.00 0.00 C ATOM 1001 C TYR A 68 5.485 10.944 5.948 1.00 0.00 C ATOM 1002 O TYR A 68 6.487 10.518 6.521 1.00 0.00 O ATOM 1003 CB TYR A 68 3.780 9.171 5.493 1.00 0.00 C ATOM 1004 CG TYR A 68 2.510 9.854 5.946 1.00 0.00 C ATOM 1005 CD1 TYR A 68 2.411 10.409 7.216 1.00 0.00 C ATOM 1006 CD2 TYR A 68 1.407 9.944 5.105 1.00 0.00 C ATOM 1007 CE1 TYR A 68 1.253 11.034 7.635 1.00 0.00 C ATOM 1008 CE2 TYR A 68 0.245 10.568 5.515 1.00 0.00 C ATOM 1009 CZ TYR A 68 0.172 11.111 6.781 1.00 0.00 C ATOM 1010 OH TYR A 68 -0.984 11.732 7.194 1.00 0.00 O ATOM 0 H TYR A 68 6.573 9.040 4.609 1.00 0.00 H new ATOM 0 HA TYR A 68 4.275 10.807 4.190 1.00 0.00 H new ATOM 0 HB2 TYR A 68 3.527 8.393 4.773 1.00 0.00 H new ATOM 0 HB3 TYR A 68 4.241 8.676 6.348 1.00 0.00 H new ATOM 0 HD1 TYR A 68 3.255 10.351 7.888 1.00 0.00 H new ATOM 0 HD2 TYR A 68 1.459 9.519 4.114 1.00 0.00 H new ATOM 0 HE1 TYR A 68 1.194 11.460 8.626 1.00 0.00 H new ATOM 0 HE2 TYR A 68 -0.602 10.630 4.848 1.00 0.00 H new ATOM 0 HH TYR A 68 -1.677 11.059 7.355 1.00 0.00 H new ATOM 1020 N ASN A 69 4.939 12.123 6.227 1.00 0.00 N ATOM 1021 CA ASN A 69 5.500 13.004 7.245 1.00 0.00 C ATOM 1022 C ASN A 69 6.992 13.222 7.014 1.00 0.00 C ATOM 1023 O ASN A 69 7.757 13.410 7.960 1.00 0.00 O ATOM 1024 CB ASN A 69 5.268 12.418 8.639 1.00 0.00 C ATOM 1025 CG ASN A 69 5.101 13.492 9.697 1.00 0.00 C ATOM 1026 OD1 ASN A 69 4.158 14.282 9.652 1.00 0.00 O ATOM 1027 ND2 ASN A 69 6.019 13.526 10.656 1.00 0.00 N ATOM 0 H ASN A 69 4.109 12.491 5.762 1.00 0.00 H new ATOM 0 HA ASN A 69 4.996 13.968 7.174 1.00 0.00 H new ATOM 0 HB2 ASN A 69 4.379 11.787 8.622 1.00 0.00 H new ATOM 0 HB3 ASN A 69 6.108 11.777 8.905 1.00 0.00 H new ATOM 0 HD21 ASN A 69 5.959 14.227 11.395 1.00 0.00 H new ATOM 0 HD22 ASN A 69 6.784 12.851 10.654 1.00 0.00 H new ATOM 1034 N VAL A 70 7.399 13.195 5.749 1.00 0.00 N ATOM 1035 CA VAL A 70 8.799 13.391 5.392 1.00 0.00 C ATOM 1036 C VAL A 70 9.663 12.246 5.908 1.00 0.00 C ATOM 1037 O VAL A 70 10.863 12.411 6.127 1.00 0.00 O ATOM 1038 CB VAL A 70 9.340 14.720 5.952 1.00 0.00 C ATOM 1039 CG1 VAL A 70 8.221 15.743 6.073 1.00 0.00 C ATOM 1040 CG2 VAL A 70 10.017 14.496 7.295 1.00 0.00 C ATOM 0 H VAL A 70 6.779 13.039 4.954 1.00 0.00 H new ATOM 0 HA VAL A 70 8.847 13.417 4.303 1.00 0.00 H new ATOM 0 HB VAL A 70 10.084 15.111 5.258 1.00 0.00 H new ATOM 0 HG11 VAL A 70 8.622 16.675 6.470 1.00 0.00 H new ATOM 0 HG12 VAL A 70 7.786 15.925 5.090 1.00 0.00 H new ATOM 0 HG13 VAL A 70 7.452 15.363 6.745 1.00 0.00 H new ATOM 0 HG21 VAL A 70 10.393 15.446 7.676 1.00 0.00 H new ATOM 0 HG22 VAL A 70 9.297 14.082 8.001 1.00 0.00 H new ATOM 0 HG23 VAL A 70 10.847 13.800 7.173 1.00 0.00 H new ATOM 1050 N GLU A 71 9.045 11.085 6.100 1.00 0.00 N ATOM 1051 CA GLU A 71 9.759 9.912 6.591 1.00 0.00 C ATOM 1052 C GLU A 71 9.218 8.638 5.949 1.00 0.00 C ATOM 1053 O GLU A 71 8.009 8.405 5.927 1.00 0.00 O ATOM 1054 CB GLU A 71 9.643 9.817 8.114 1.00 0.00 C ATOM 1055 CG GLU A 71 8.308 10.302 8.654 1.00 0.00 C ATOM 1056 CD GLU A 71 8.252 10.287 10.169 1.00 0.00 C ATOM 1057 OE1 GLU A 71 8.967 9.467 10.782 1.00 0.00 O ATOM 1058 OE2 GLU A 71 7.493 11.097 10.742 1.00 0.00 O ATOM 0 H GLU A 71 8.052 10.931 5.923 1.00 0.00 H new ATOM 0 HA GLU A 71 10.809 10.018 6.320 1.00 0.00 H new ATOM 0 HB2 GLU A 71 9.793 8.781 8.418 1.00 0.00 H new ATOM 0 HB3 GLU A 71 10.443 10.402 8.568 1.00 0.00 H new ATOM 0 HG2 GLU A 71 8.122 11.315 8.297 1.00 0.00 H new ATOM 0 HG3 GLU A 71 7.510 9.673 8.258 1.00 0.00 H new ATOM 1065 N VAL A 72 10.122 7.816 5.425 1.00 0.00 N ATOM 1066 CA VAL A 72 9.737 6.565 4.783 1.00 0.00 C ATOM 1067 C VAL A 72 9.338 5.517 5.815 1.00 0.00 C ATOM 1068 O VAL A 72 10.191 4.857 6.409 1.00 0.00 O ATOM 1069 CB VAL A 72 10.879 6.005 3.915 1.00 0.00 C ATOM 1070 CG1 VAL A 72 10.484 4.666 3.310 1.00 0.00 C ATOM 1071 CG2 VAL A 72 11.258 6.999 2.827 1.00 0.00 C ATOM 0 H VAL A 72 11.126 7.994 5.433 1.00 0.00 H new ATOM 0 HA VAL A 72 8.881 6.787 4.146 1.00 0.00 H new ATOM 0 HB VAL A 72 11.750 5.847 4.551 1.00 0.00 H new ATOM 0 HG11 VAL A 72 11.304 4.286 2.700 1.00 0.00 H new ATOM 0 HG12 VAL A 72 10.266 3.956 4.108 1.00 0.00 H new ATOM 0 HG13 VAL A 72 9.598 4.795 2.688 1.00 0.00 H new ATOM 0 HG21 VAL A 72 12.066 6.587 2.223 1.00 0.00 H new ATOM 0 HG22 VAL A 72 10.393 7.191 2.192 1.00 0.00 H new ATOM 0 HG23 VAL A 72 11.587 7.932 3.285 1.00 0.00 H new ATOM 1081 N LYS A 73 8.034 5.368 6.026 1.00 0.00 N ATOM 1082 CA LYS A 73 7.519 4.398 6.986 1.00 0.00 C ATOM 1083 C LYS A 73 7.440 3.007 6.365 1.00 0.00 C ATOM 1084 O LYS A 73 7.256 2.899 5.153 1.00 0.00 O ATOM 1085 CB LYS A 73 6.137 4.827 7.482 1.00 0.00 C ATOM 1086 CG LYS A 73 6.020 6.318 7.746 1.00 0.00 C ATOM 1087 CD LYS A 73 6.537 6.681 9.128 1.00 0.00 C ATOM 1088 CE LYS A 73 5.756 7.841 9.728 1.00 0.00 C ATOM 1089 NZ LYS A 73 6.026 7.997 11.184 1.00 0.00 N ATOM 0 H LYS A 73 7.314 5.907 5.545 1.00 0.00 H new ATOM 0 HA LYS A 73 8.206 4.360 7.831 1.00 0.00 H new ATOM 0 HB2 LYS A 73 5.389 4.538 6.743 1.00 0.00 H new ATOM 0 HB3 LYS A 73 5.905 4.285 8.399 1.00 0.00 H new ATOM 0 HG2 LYS A 73 6.581 6.868 6.990 1.00 0.00 H new ATOM 0 HG3 LYS A 73 4.978 6.624 7.654 1.00 0.00 H new ATOM 0 HD2 LYS A 73 6.464 5.814 9.784 1.00 0.00 H new ATOM 0 HD3 LYS A 73 7.593 6.945 9.065 1.00 0.00 H new ATOM 0 HE2 LYS A 73 6.019 8.763 9.209 1.00 0.00 H new ATOM 0 HE3 LYS A 73 4.689 7.680 9.572 1.00 0.00 H new ATOM 0 HZ1 LYS A 73 5.475 8.797 11.555 1.00 0.00 H new ATOM 0 HZ2 LYS A 73 5.752 7.127 11.683 1.00 0.00 H new ATOM 0 HZ3 LYS A 73 7.040 8.176 11.332 1.00 0.00 H new ATOM 1103 N HIS A 74 7.578 1.986 7.197 1.00 0.00 N ATOM 1104 CA HIS A 74 7.518 0.616 6.717 1.00 0.00 C ATOM 1105 C HIS A 74 6.292 -0.082 7.309 1.00 0.00 C ATOM 1106 O HIS A 74 5.875 0.178 8.438 1.00 0.00 O ATOM 1107 CB HIS A 74 8.824 -0.123 7.018 1.00 0.00 C ATOM 1108 CG HIS A 74 10.067 0.655 6.657 1.00 0.00 C ATOM 1109 ND1 HIS A 74 10.551 0.735 5.363 1.00 0.00 N ATOM 1110 CD2 HIS A 74 10.917 1.387 7.432 1.00 0.00 C ATOM 1111 CE1 HIS A 74 11.645 1.483 5.371 1.00 0.00 C ATOM 1112 NE2 HIS A 74 11.870 1.885 6.655 1.00 0.00 N ATOM 0 H HIS A 74 7.731 2.080 8.201 1.00 0.00 H new ATOM 0 HA HIS A 74 7.407 0.611 5.633 1.00 0.00 H new ATOM 0 HB2 HIS A 74 8.856 -0.366 8.080 1.00 0.00 H new ATOM 0 HB3 HIS A 74 8.828 -1.068 6.475 1.00 0.00 H new ATOM 0 HD2 HIS A 74 10.829 1.536 8.498 1.00 0.00 H new ATOM 0 HE1 HIS A 74 12.251 1.731 4.512 1.00 0.00 H new ATOM 0 HE2 HIS A 74 12.644 2.472 6.966 1.00 0.00 H new ATOM 1120 N ILE A 75 5.720 -0.982 6.516 1.00 0.00 N ATOM 1121 CA ILE A 75 4.544 -1.733 6.936 1.00 0.00 C ATOM 1122 C ILE A 75 4.785 -3.235 6.833 1.00 0.00 C ATOM 1123 O ILE A 75 4.924 -3.779 5.737 1.00 0.00 O ATOM 1124 CB ILE A 75 3.309 -1.363 6.092 1.00 0.00 C ATOM 1125 CG1 ILE A 75 3.193 0.156 5.958 1.00 0.00 C ATOM 1126 CG2 ILE A 75 2.049 -1.944 6.716 1.00 0.00 C ATOM 1127 CD1 ILE A 75 2.482 0.813 7.121 1.00 0.00 C ATOM 0 H ILE A 75 6.052 -1.209 5.579 1.00 0.00 H new ATOM 0 HA ILE A 75 4.356 -1.469 7.977 1.00 0.00 H new ATOM 0 HB ILE A 75 3.427 -1.788 5.095 1.00 0.00 H new ATOM 0 HG12 ILE A 75 4.192 0.582 5.866 1.00 0.00 H new ATOM 0 HG13 ILE A 75 2.660 0.392 5.037 1.00 0.00 H new ATOM 0 HG21 ILE A 75 1.185 -1.674 6.109 1.00 0.00 H new ATOM 0 HG22 ILE A 75 2.134 -3.030 6.764 1.00 0.00 H new ATOM 0 HG23 ILE A 75 1.924 -1.545 7.723 1.00 0.00 H new ATOM 0 HD11 ILE A 75 2.436 1.890 6.958 1.00 0.00 H new ATOM 0 HD12 ILE A 75 1.470 0.415 7.201 1.00 0.00 H new ATOM 0 HD13 ILE A 75 3.026 0.608 8.043 1.00 0.00 H new ATOM 1139 N LYS A 76 4.831 -3.901 7.981 1.00 0.00 N ATOM 1140 CA LYS A 76 5.052 -5.342 8.023 1.00 0.00 C ATOM 1141 C LYS A 76 3.829 -6.095 7.509 1.00 0.00 C ATOM 1142 O LYS A 76 2.722 -5.919 8.017 1.00 0.00 O ATOM 1143 CB LYS A 76 5.376 -5.788 9.450 1.00 0.00 C ATOM 1144 CG LYS A 76 5.104 -7.261 9.703 1.00 0.00 C ATOM 1145 CD LYS A 76 5.592 -7.690 11.077 1.00 0.00 C ATOM 1146 CE LYS A 76 4.576 -7.356 12.159 1.00 0.00 C ATOM 1147 NZ LYS A 76 4.738 -8.223 13.358 1.00 0.00 N ATOM 0 H LYS A 76 4.718 -3.466 8.896 1.00 0.00 H new ATOM 0 HA LYS A 76 5.898 -5.573 7.376 1.00 0.00 H new ATOM 0 HB2 LYS A 76 6.426 -5.580 9.657 1.00 0.00 H new ATOM 0 HB3 LYS A 76 4.789 -5.193 10.150 1.00 0.00 H new ATOM 0 HG2 LYS A 76 4.035 -7.454 9.619 1.00 0.00 H new ATOM 0 HG3 LYS A 76 5.597 -7.860 8.937 1.00 0.00 H new ATOM 0 HD2 LYS A 76 5.786 -8.763 11.077 1.00 0.00 H new ATOM 0 HD3 LYS A 76 6.538 -7.195 11.299 1.00 0.00 H new ATOM 0 HE2 LYS A 76 4.685 -6.311 12.449 1.00 0.00 H new ATOM 0 HE3 LYS A 76 3.569 -7.473 11.760 1.00 0.00 H new ATOM 0 HZ1 LYS A 76 4.028 -7.964 14.072 1.00 0.00 H new ATOM 0 HZ2 LYS A 76 4.609 -9.219 13.086 1.00 0.00 H new ATOM 0 HZ3 LYS A 76 5.691 -8.093 13.754 1.00 0.00 H new ATOM 1161 N ILE A 77 4.037 -6.934 6.500 1.00 0.00 N ATOM 1162 CA ILE A 77 2.952 -7.715 5.920 1.00 0.00 C ATOM 1163 C ILE A 77 2.946 -9.138 6.466 1.00 0.00 C ATOM 1164 O ILE A 77 3.955 -9.841 6.406 1.00 0.00 O ATOM 1165 CB ILE A 77 3.054 -7.766 4.384 1.00 0.00 C ATOM 1166 CG1 ILE A 77 3.067 -6.351 3.804 1.00 0.00 C ATOM 1167 CG2 ILE A 77 1.901 -8.572 3.803 1.00 0.00 C ATOM 1168 CD1 ILE A 77 3.313 -6.311 2.312 1.00 0.00 C ATOM 0 H ILE A 77 4.947 -7.090 6.067 1.00 0.00 H new ATOM 0 HA ILE A 77 2.022 -7.219 6.198 1.00 0.00 H new ATOM 0 HB ILE A 77 3.988 -8.258 4.113 1.00 0.00 H new ATOM 0 HG12 ILE A 77 2.113 -5.870 4.020 1.00 0.00 H new ATOM 0 HG13 ILE A 77 3.839 -5.768 4.307 1.00 0.00 H new ATOM 0 HG21 ILE A 77 1.987 -8.599 2.717 1.00 0.00 H new ATOM 0 HG22 ILE A 77 1.934 -9.589 4.195 1.00 0.00 H new ATOM 0 HG23 ILE A 77 0.955 -8.106 4.081 1.00 0.00 H new ATOM 0 HD11 ILE A 77 3.309 -5.276 1.970 1.00 0.00 H new ATOM 0 HD12 ILE A 77 4.280 -6.762 2.090 1.00 0.00 H new ATOM 0 HD13 ILE A 77 2.528 -6.866 1.799 1.00 0.00 H new ATOM 1180 N MET A 78 1.802 -9.558 6.996 1.00 0.00 N ATOM 1181 CA MET A 78 1.664 -10.900 7.550 1.00 0.00 C ATOM 1182 C MET A 78 0.890 -11.805 6.597 1.00 0.00 C ATOM 1183 O MET A 78 -0.095 -11.385 5.988 1.00 0.00 O ATOM 1184 CB MET A 78 0.958 -10.845 8.906 1.00 0.00 C ATOM 1185 CG MET A 78 1.469 -9.736 9.813 1.00 0.00 C ATOM 1186 SD MET A 78 1.318 -10.145 11.562 1.00 0.00 S ATOM 1187 CE MET A 78 -0.290 -9.448 11.935 1.00 0.00 C ATOM 0 H MET A 78 0.958 -8.989 7.054 1.00 0.00 H new ATOM 0 HA MET A 78 2.663 -11.315 7.685 1.00 0.00 H new ATOM 0 HB2 MET A 78 -0.111 -10.707 8.744 1.00 0.00 H new ATOM 0 HB3 MET A 78 1.083 -11.803 9.411 1.00 0.00 H new ATOM 0 HG2 MET A 78 2.514 -9.534 9.580 1.00 0.00 H new ATOM 0 HG3 MET A 78 0.914 -8.820 9.609 1.00 0.00 H new ATOM 0 HE1 MET A 78 -0.527 -9.621 12.985 1.00 0.00 H new ATOM 0 HE2 MET A 78 -0.277 -8.376 11.738 1.00 0.00 H new ATOM 0 HE3 MET A 78 -1.046 -9.923 11.310 1.00 0.00 H new ATOM 1197 N THR A 79 1.341 -13.049 6.471 1.00 0.00 N ATOM 1198 CA THR A 79 0.691 -14.012 5.591 1.00 0.00 C ATOM 1199 C THR A 79 0.087 -15.163 6.387 1.00 0.00 C ATOM 1200 O THR A 79 0.749 -15.759 7.235 1.00 0.00 O ATOM 1201 CB THR A 79 1.679 -14.582 4.555 1.00 0.00 C ATOM 1202 OG1 THR A 79 2.979 -14.717 5.141 1.00 0.00 O ATOM 1203 CG2 THR A 79 1.759 -13.682 3.332 1.00 0.00 C ATOM 0 H THR A 79 2.154 -13.413 6.967 1.00 0.00 H new ATOM 0 HA THR A 79 -0.103 -13.478 5.069 1.00 0.00 H new ATOM 0 HB THR A 79 1.319 -15.562 4.242 1.00 0.00 H new ATOM 0 HG1 THR A 79 3.601 -15.081 4.477 1.00 0.00 H new ATOM 0 HG21 THR A 79 2.462 -14.105 2.615 1.00 0.00 H new ATOM 0 HG22 THR A 79 0.774 -13.605 2.872 1.00 0.00 H new ATOM 0 HG23 THR A 79 2.098 -12.690 3.632 1.00 0.00 H new ATOM 1211 N ALA A 80 -1.175 -15.472 6.107 1.00 0.00 N ATOM 1212 CA ALA A 80 -1.868 -16.554 6.795 1.00 0.00 C ATOM 1213 C ALA A 80 -2.879 -17.230 5.875 1.00 0.00 C ATOM 1214 O ALA A 80 -3.783 -16.582 5.348 1.00 0.00 O ATOM 1215 CB ALA A 80 -2.558 -16.028 8.045 1.00 0.00 C ATOM 0 H ALA A 80 -1.738 -14.988 5.408 1.00 0.00 H new ATOM 0 HA ALA A 80 -1.128 -17.299 7.088 1.00 0.00 H new ATOM 0 HB1 ALA A 80 -3.072 -16.847 8.549 1.00 0.00 H new ATOM 0 HB2 ALA A 80 -1.815 -15.597 8.717 1.00 0.00 H new ATOM 0 HB3 ALA A 80 -3.282 -15.262 7.766 1.00 0.00 H new ATOM 1221 N GLU A 81 -2.720 -18.537 5.688 1.00 0.00 N ATOM 1222 CA GLU A 81 -3.620 -19.300 4.830 1.00 0.00 C ATOM 1223 C GLU A 81 -3.515 -18.834 3.381 1.00 0.00 C ATOM 1224 O GLU A 81 -4.453 -18.985 2.599 1.00 0.00 O ATOM 1225 CB GLU A 81 -5.064 -19.163 5.318 1.00 0.00 C ATOM 1226 CG GLU A 81 -5.200 -19.190 6.831 1.00 0.00 C ATOM 1227 CD GLU A 81 -4.905 -20.557 7.418 1.00 0.00 C ATOM 1228 OE1 GLU A 81 -3.925 -21.193 6.977 1.00 0.00 O ATOM 1229 OE2 GLU A 81 -5.654 -20.990 8.319 1.00 0.00 O ATOM 0 H GLU A 81 -1.978 -19.089 6.118 1.00 0.00 H new ATOM 0 HA GLU A 81 -3.326 -20.348 4.879 1.00 0.00 H new ATOM 0 HB2 GLU A 81 -5.479 -18.228 4.941 1.00 0.00 H new ATOM 0 HB3 GLU A 81 -5.660 -19.971 4.894 1.00 0.00 H new ATOM 0 HG2 GLU A 81 -4.521 -18.457 7.266 1.00 0.00 H new ATOM 0 HG3 GLU A 81 -6.211 -18.891 7.107 1.00 0.00 H new ATOM 1236 N GLY A 82 -2.365 -18.266 3.029 1.00 0.00 N ATOM 1237 CA GLY A 82 -2.158 -17.786 1.676 1.00 0.00 C ATOM 1238 C GLY A 82 -2.593 -16.345 1.498 1.00 0.00 C ATOM 1239 O GLY A 82 -2.301 -15.722 0.477 1.00 0.00 O ATOM 0 H GLY A 82 -1.573 -18.130 3.658 1.00 0.00 H new ATOM 0 HA2 GLY A 82 -1.103 -17.878 1.419 1.00 0.00 H new ATOM 0 HA3 GLY A 82 -2.712 -18.418 0.981 1.00 0.00 H new ATOM 1243 N LEU A 83 -3.294 -15.814 2.493 1.00 0.00 N ATOM 1244 CA LEU A 83 -3.773 -14.437 2.443 1.00 0.00 C ATOM 1245 C LEU A 83 -2.719 -13.474 2.979 1.00 0.00 C ATOM 1246 O LEU A 83 -1.970 -13.807 3.898 1.00 0.00 O ATOM 1247 CB LEU A 83 -5.066 -14.296 3.247 1.00 0.00 C ATOM 1248 CG LEU A 83 -6.208 -15.233 2.853 1.00 0.00 C ATOM 1249 CD1 LEU A 83 -7.035 -15.610 4.072 1.00 0.00 C ATOM 1250 CD2 LEU A 83 -7.086 -14.587 1.790 1.00 0.00 C ATOM 0 H LEU A 83 -3.544 -16.316 3.345 1.00 0.00 H new ATOM 0 HA LEU A 83 -3.972 -14.185 1.401 1.00 0.00 H new ATOM 0 HB2 LEU A 83 -4.835 -14.460 4.300 1.00 0.00 H new ATOM 0 HB3 LEU A 83 -5.418 -13.268 3.154 1.00 0.00 H new ATOM 0 HG LEU A 83 -5.777 -16.143 2.436 1.00 0.00 H new ATOM 0 HD11 LEU A 83 -7.843 -16.277 3.771 1.00 0.00 H new ATOM 0 HD12 LEU A 83 -6.400 -16.114 4.801 1.00 0.00 H new ATOM 0 HD13 LEU A 83 -7.456 -14.709 4.519 1.00 0.00 H new ATOM 0 HD21 LEU A 83 -7.893 -15.268 1.522 1.00 0.00 H new ATOM 0 HD22 LEU A 83 -7.507 -13.660 2.180 1.00 0.00 H new ATOM 0 HD23 LEU A 83 -6.487 -14.369 0.906 1.00 0.00 H new ATOM 1262 N TYR A 84 -2.668 -12.279 2.401 1.00 0.00 N ATOM 1263 CA TYR A 84 -1.705 -11.268 2.821 1.00 0.00 C ATOM 1264 C TYR A 84 -2.404 -10.112 3.531 1.00 0.00 C ATOM 1265 O TYR A 84 -3.382 -9.559 3.026 1.00 0.00 O ATOM 1266 CB TYR A 84 -0.926 -10.743 1.614 1.00 0.00 C ATOM 1267 CG TYR A 84 -0.232 -11.828 0.822 1.00 0.00 C ATOM 1268 CD1 TYR A 84 -0.947 -12.652 -0.039 1.00 0.00 C ATOM 1269 CD2 TYR A 84 1.138 -12.031 0.937 1.00 0.00 C ATOM 1270 CE1 TYR A 84 -0.317 -13.646 -0.763 1.00 0.00 C ATOM 1271 CE2 TYR A 84 1.776 -13.021 0.215 1.00 0.00 C ATOM 1272 CZ TYR A 84 1.044 -13.826 -0.634 1.00 0.00 C ATOM 1273 OH TYR A 84 1.676 -14.814 -1.353 1.00 0.00 O ATOM 0 H TYR A 84 -3.282 -11.987 1.641 1.00 0.00 H new ATOM 0 HA TYR A 84 -1.010 -11.733 3.520 1.00 0.00 H new ATOM 0 HB2 TYR A 84 -1.610 -10.206 0.957 1.00 0.00 H new ATOM 0 HB3 TYR A 84 -0.183 -10.023 1.957 1.00 0.00 H new ATOM 0 HD1 TYR A 84 -2.013 -12.513 -0.144 1.00 0.00 H new ATOM 0 HD2 TYR A 84 1.714 -11.404 1.602 1.00 0.00 H new ATOM 0 HE1 TYR A 84 -0.888 -14.279 -1.427 1.00 0.00 H new ATOM 0 HE2 TYR A 84 2.842 -13.164 0.314 1.00 0.00 H new ATOM 0 HH TYR A 84 2.634 -14.806 -1.148 1.00 0.00 H new ATOM 1283 N ARG A 85 -1.895 -9.752 4.704 1.00 0.00 N ATOM 1284 CA ARG A 85 -2.469 -8.663 5.485 1.00 0.00 C ATOM 1285 C ARG A 85 -1.480 -8.166 6.535 1.00 0.00 C ATOM 1286 O ARG A 85 -0.911 -8.956 7.290 1.00 0.00 O ATOM 1287 CB ARG A 85 -3.762 -9.121 6.163 1.00 0.00 C ATOM 1288 CG ARG A 85 -3.645 -10.471 6.850 1.00 0.00 C ATOM 1289 CD ARG A 85 -4.819 -10.727 7.782 1.00 0.00 C ATOM 1290 NE ARG A 85 -4.451 -11.584 8.905 1.00 0.00 N ATOM 1291 CZ ARG A 85 -5.322 -12.326 9.580 1.00 0.00 C ATOM 1292 NH1 ARG A 85 -6.605 -12.314 9.247 1.00 0.00 N ATOM 1293 NH2 ARG A 85 -4.910 -13.081 10.590 1.00 0.00 N ATOM 0 H ARG A 85 -1.086 -10.199 5.135 1.00 0.00 H new ATOM 0 HA ARG A 85 -2.694 -7.841 4.805 1.00 0.00 H new ATOM 0 HB2 ARG A 85 -4.061 -8.374 6.898 1.00 0.00 H new ATOM 0 HB3 ARG A 85 -4.555 -9.170 5.417 1.00 0.00 H new ATOM 0 HG2 ARG A 85 -3.597 -11.259 6.099 1.00 0.00 H new ATOM 0 HG3 ARG A 85 -2.714 -10.513 7.416 1.00 0.00 H new ATOM 0 HD2 ARG A 85 -5.195 -9.776 8.160 1.00 0.00 H new ATOM 0 HD3 ARG A 85 -5.631 -11.192 7.223 1.00 0.00 H new ATOM 0 HE ARG A 85 -3.471 -11.615 9.187 1.00 0.00 H new ATOM 0 HH11 ARG A 85 -6.925 -11.734 8.471 1.00 0.00 H new ATOM 0 HH12 ARG A 85 -7.272 -12.884 9.767 1.00 0.00 H new ATOM 0 HH21 ARG A 85 -3.924 -13.092 10.849 1.00 0.00 H new ATOM 0 HH22 ARG A 85 -5.580 -13.650 11.108 1.00 0.00 H new ATOM 1307 N ILE A 86 -1.279 -6.853 6.576 1.00 0.00 N ATOM 1308 CA ILE A 86 -0.358 -6.252 7.533 1.00 0.00 C ATOM 1309 C ILE A 86 -0.920 -6.314 8.949 1.00 0.00 C ATOM 1310 O ILE A 86 -0.187 -6.163 9.927 1.00 0.00 O ATOM 1311 CB ILE A 86 -0.056 -4.784 7.177 1.00 0.00 C ATOM 1312 CG1 ILE A 86 -1.305 -3.921 7.371 1.00 0.00 C ATOM 1313 CG2 ILE A 86 0.449 -4.680 5.745 1.00 0.00 C ATOM 1314 CD1 ILE A 86 -0.999 -2.507 7.813 1.00 0.00 C ATOM 0 H ILE A 86 -1.741 -6.186 5.958 1.00 0.00 H new ATOM 0 HA ILE A 86 0.567 -6.827 7.486 1.00 0.00 H new ATOM 0 HB ILE A 86 0.723 -4.417 7.845 1.00 0.00 H new ATOM 0 HG12 ILE A 86 -1.863 -3.888 6.435 1.00 0.00 H new ATOM 0 HG13 ILE A 86 -1.951 -4.393 8.111 1.00 0.00 H new ATOM 0 HG21 ILE A 86 0.658 -3.637 5.508 1.00 0.00 H new ATOM 0 HG22 ILE A 86 1.361 -5.267 5.637 1.00 0.00 H new ATOM 0 HG23 ILE A 86 -0.310 -5.062 5.063 1.00 0.00 H new ATOM 0 HD11 ILE A 86 -1.930 -1.953 7.931 1.00 0.00 H new ATOM 0 HD12 ILE A 86 -0.468 -2.530 8.765 1.00 0.00 H new ATOM 0 HD13 ILE A 86 -0.378 -2.018 7.063 1.00 0.00 H new ATOM 1326 N THR A 87 -2.226 -6.538 9.053 1.00 0.00 N ATOM 1327 CA THR A 87 -2.887 -6.622 10.349 1.00 0.00 C ATOM 1328 C THR A 87 -3.943 -7.721 10.358 1.00 0.00 C ATOM 1329 O THR A 87 -4.510 -8.058 9.319 1.00 0.00 O ATOM 1330 CB THR A 87 -3.551 -5.284 10.728 1.00 0.00 C ATOM 1331 OG1 THR A 87 -4.249 -5.419 11.971 1.00 0.00 O ATOM 1332 CG2 THR A 87 -4.519 -4.834 9.644 1.00 0.00 C ATOM 0 H THR A 87 -2.847 -6.665 8.254 1.00 0.00 H new ATOM 0 HA THR A 87 -2.116 -6.858 11.083 1.00 0.00 H new ATOM 0 HB THR A 87 -2.769 -4.532 10.830 1.00 0.00 H new ATOM 0 HG1 THR A 87 -4.667 -4.564 12.206 1.00 0.00 H new ATOM 0 HG21 THR A 87 -4.975 -3.888 9.934 1.00 0.00 H new ATOM 0 HG22 THR A 87 -3.980 -4.705 8.706 1.00 0.00 H new ATOM 0 HG23 THR A 87 -5.296 -5.587 9.515 1.00 0.00 H new ATOM 1340 N GLU A 88 -4.203 -8.276 11.538 1.00 0.00 N ATOM 1341 CA GLU A 88 -5.192 -9.338 11.681 1.00 0.00 C ATOM 1342 C GLU A 88 -6.607 -8.767 11.689 1.00 0.00 C ATOM 1343 O GLU A 88 -7.436 -9.143 12.517 1.00 0.00 O ATOM 1344 CB GLU A 88 -4.942 -10.128 12.967 1.00 0.00 C ATOM 1345 CG GLU A 88 -5.289 -9.359 14.231 1.00 0.00 C ATOM 1346 CD GLU A 88 -4.547 -9.874 15.449 1.00 0.00 C ATOM 1347 OE1 GLU A 88 -3.323 -10.100 15.346 1.00 0.00 O ATOM 1348 OE2 GLU A 88 -5.189 -10.050 16.505 1.00 0.00 O ATOM 0 H GLU A 88 -3.743 -8.008 12.408 1.00 0.00 H new ATOM 0 HA GLU A 88 -5.094 -10.008 10.827 1.00 0.00 H new ATOM 0 HB2 GLU A 88 -5.528 -11.047 12.939 1.00 0.00 H new ATOM 0 HB3 GLU A 88 -3.893 -10.420 13.006 1.00 0.00 H new ATOM 0 HG2 GLU A 88 -5.054 -8.304 14.086 1.00 0.00 H new ATOM 0 HG3 GLU A 88 -6.362 -9.425 14.409 1.00 0.00 H new ATOM 1355 N LYS A 89 -6.875 -7.855 10.761 1.00 0.00 N ATOM 1356 CA LYS A 89 -8.189 -7.230 10.658 1.00 0.00 C ATOM 1357 C LYS A 89 -8.920 -7.703 9.406 1.00 0.00 C ATOM 1358 O LYS A 89 -10.113 -8.004 9.447 1.00 0.00 O ATOM 1359 CB LYS A 89 -8.052 -5.706 10.636 1.00 0.00 C ATOM 1360 CG LYS A 89 -7.839 -5.095 12.010 1.00 0.00 C ATOM 1361 CD LYS A 89 -9.158 -4.709 12.659 1.00 0.00 C ATOM 1362 CE LYS A 89 -9.616 -3.329 12.213 1.00 0.00 C ATOM 1363 NZ LYS A 89 -10.451 -3.392 10.982 1.00 0.00 N ATOM 0 H LYS A 89 -6.199 -7.532 10.069 1.00 0.00 H new ATOM 0 HA LYS A 89 -8.772 -7.524 11.531 1.00 0.00 H new ATOM 0 HB2 LYS A 89 -7.215 -5.434 9.993 1.00 0.00 H new ATOM 0 HB3 LYS A 89 -8.949 -5.275 10.191 1.00 0.00 H new ATOM 0 HG2 LYS A 89 -7.313 -5.805 12.648 1.00 0.00 H new ATOM 0 HG3 LYS A 89 -7.204 -4.214 11.923 1.00 0.00 H new ATOM 0 HD2 LYS A 89 -9.919 -5.446 12.404 1.00 0.00 H new ATOM 0 HD3 LYS A 89 -9.049 -4.725 13.743 1.00 0.00 H new ATOM 0 HE2 LYS A 89 -10.186 -2.859 13.015 1.00 0.00 H new ATOM 0 HE3 LYS A 89 -8.745 -2.699 12.029 1.00 0.00 H new ATOM 0 HZ1 LYS A 89 -11.133 -2.607 10.984 1.00 0.00 H new ATOM 0 HZ2 LYS A 89 -9.840 -3.317 10.144 1.00 0.00 H new ATOM 0 HZ3 LYS A 89 -10.964 -4.296 10.957 1.00 0.00 H new ATOM 1377 N LYS A 90 -8.197 -7.768 8.293 1.00 0.00 N ATOM 1378 CA LYS A 90 -8.775 -8.208 7.029 1.00 0.00 C ATOM 1379 C LYS A 90 -7.706 -8.805 6.120 1.00 0.00 C ATOM 1380 O LYS A 90 -6.676 -8.181 5.864 1.00 0.00 O ATOM 1381 CB LYS A 90 -9.462 -7.036 6.324 1.00 0.00 C ATOM 1382 CG LYS A 90 -9.931 -7.363 4.917 1.00 0.00 C ATOM 1383 CD LYS A 90 -11.321 -7.977 4.920 1.00 0.00 C ATOM 1384 CE LYS A 90 -12.081 -7.645 3.645 1.00 0.00 C ATOM 1385 NZ LYS A 90 -13.436 -8.261 3.631 1.00 0.00 N ATOM 0 H LYS A 90 -7.209 -7.521 8.241 1.00 0.00 H new ATOM 0 HA LYS A 90 -9.515 -8.979 7.245 1.00 0.00 H new ATOM 0 HB2 LYS A 90 -10.318 -6.717 6.918 1.00 0.00 H new ATOM 0 HB3 LYS A 90 -8.772 -6.194 6.281 1.00 0.00 H new ATOM 0 HG2 LYS A 90 -9.935 -6.455 4.314 1.00 0.00 H new ATOM 0 HG3 LYS A 90 -9.229 -8.053 4.450 1.00 0.00 H new ATOM 0 HD2 LYS A 90 -11.242 -9.059 5.026 1.00 0.00 H new ATOM 0 HD3 LYS A 90 -11.879 -7.612 5.783 1.00 0.00 H new ATOM 0 HE2 LYS A 90 -12.173 -6.563 3.548 1.00 0.00 H new ATOM 0 HE3 LYS A 90 -11.514 -7.995 2.783 1.00 0.00 H new ATOM 0 HZ1 LYS A 90 -13.922 -8.011 2.746 1.00 0.00 H new ATOM 0 HZ2 LYS A 90 -13.348 -9.295 3.698 1.00 0.00 H new ATOM 0 HZ3 LYS A 90 -13.986 -7.908 4.440 1.00 0.00 H new ATOM 1399 N ALA A 91 -7.958 -10.016 5.633 1.00 0.00 N ATOM 1400 CA ALA A 91 -7.018 -10.695 4.749 1.00 0.00 C ATOM 1401 C ALA A 91 -7.516 -10.686 3.308 1.00 0.00 C ATOM 1402 O ALA A 91 -8.718 -10.598 3.056 1.00 0.00 O ATOM 1403 CB ALA A 91 -6.788 -12.123 5.221 1.00 0.00 C ATOM 0 H ALA A 91 -8.805 -10.547 5.836 1.00 0.00 H new ATOM 0 HA ALA A 91 -6.071 -10.156 4.782 1.00 0.00 H new ATOM 0 HB1 ALA A 91 -6.084 -12.618 4.552 1.00 0.00 H new ATOM 0 HB2 ALA A 91 -6.381 -12.111 6.232 1.00 0.00 H new ATOM 0 HB3 ALA A 91 -7.734 -12.664 5.218 1.00 0.00 H new ATOM 1409 N PHE A 92 -6.584 -10.776 2.365 1.00 0.00 N ATOM 1410 CA PHE A 92 -6.928 -10.777 0.948 1.00 0.00 C ATOM 1411 C PHE A 92 -6.165 -11.869 0.203 1.00 0.00 C ATOM 1412 O PHE A 92 -5.079 -12.275 0.617 1.00 0.00 O ATOM 1413 CB PHE A 92 -6.622 -9.412 0.326 1.00 0.00 C ATOM 1414 CG PHE A 92 -7.256 -8.265 1.059 1.00 0.00 C ATOM 1415 CD1 PHE A 92 -6.817 -7.905 2.323 1.00 0.00 C ATOM 1416 CD2 PHE A 92 -8.291 -7.545 0.484 1.00 0.00 C ATOM 1417 CE1 PHE A 92 -7.399 -6.850 3.000 1.00 0.00 C ATOM 1418 CE2 PHE A 92 -8.876 -6.488 1.156 1.00 0.00 C ATOM 1419 CZ PHE A 92 -8.429 -6.140 2.415 1.00 0.00 C ATOM 0 H PHE A 92 -5.585 -10.849 2.556 1.00 0.00 H new ATOM 0 HA PHE A 92 -7.996 -10.979 0.860 1.00 0.00 H new ATOM 0 HB2 PHE A 92 -5.542 -9.266 0.303 1.00 0.00 H new ATOM 0 HB3 PHE A 92 -6.967 -9.407 -0.708 1.00 0.00 H new ATOM 0 HD1 PHE A 92 -6.010 -8.455 2.785 1.00 0.00 H new ATOM 0 HD2 PHE A 92 -8.645 -7.813 -0.501 1.00 0.00 H new ATOM 0 HE1 PHE A 92 -7.049 -6.581 3.986 1.00 0.00 H new ATOM 0 HE2 PHE A 92 -9.682 -5.935 0.697 1.00 0.00 H new ATOM 0 HZ PHE A 92 -8.884 -5.314 2.941 1.00 0.00 H new ATOM 1429 N ARG A 93 -6.743 -12.341 -0.897 1.00 0.00 N ATOM 1430 CA ARG A 93 -6.120 -13.387 -1.698 1.00 0.00 C ATOM 1431 C ARG A 93 -4.651 -13.068 -1.961 1.00 0.00 C ATOM 1432 O ARG A 93 -3.780 -13.922 -1.796 1.00 0.00 O ATOM 1433 CB ARG A 93 -6.862 -13.552 -3.026 1.00 0.00 C ATOM 1434 CG ARG A 93 -8.343 -13.854 -2.862 1.00 0.00 C ATOM 1435 CD ARG A 93 -8.602 -15.351 -2.794 1.00 0.00 C ATOM 1436 NE ARG A 93 -8.076 -15.942 -1.566 1.00 0.00 N ATOM 1437 CZ ARG A 93 -8.015 -17.251 -1.348 1.00 0.00 C ATOM 1438 NH1 ARG A 93 -8.444 -18.101 -2.270 1.00 0.00 N ATOM 1439 NH2 ARG A 93 -7.523 -17.712 -0.205 1.00 0.00 N ATOM 0 H ARG A 93 -7.642 -12.015 -1.253 1.00 0.00 H new ATOM 0 HA ARG A 93 -6.177 -14.321 -1.139 1.00 0.00 H new ATOM 0 HB2 ARG A 93 -6.748 -12.640 -3.612 1.00 0.00 H new ATOM 0 HB3 ARG A 93 -6.396 -14.357 -3.595 1.00 0.00 H new ATOM 0 HG2 ARG A 93 -8.714 -13.378 -1.955 1.00 0.00 H new ATOM 0 HG3 ARG A 93 -8.898 -13.425 -3.697 1.00 0.00 H new ATOM 0 HD2 ARG A 93 -9.674 -15.537 -2.855 1.00 0.00 H new ATOM 0 HD3 ARG A 93 -8.145 -15.838 -3.655 1.00 0.00 H new ATOM 0 HE ARG A 93 -7.737 -15.315 -0.836 1.00 0.00 H new ATOM 0 HH11 ARG A 93 -8.822 -17.751 -3.150 1.00 0.00 H new ATOM 0 HH12 ARG A 93 -8.396 -19.105 -2.100 1.00 0.00 H new ATOM 0 HH21 ARG A 93 -7.191 -17.061 0.507 1.00 0.00 H new ATOM 0 HH22 ARG A 93 -7.477 -18.717 -0.038 1.00 0.00 H new ATOM 1453 N GLY A 94 -4.383 -11.833 -2.372 1.00 0.00 N ATOM 1454 CA GLY A 94 -3.019 -11.423 -2.652 1.00 0.00 C ATOM 1455 C GLY A 94 -2.782 -9.955 -2.358 1.00 0.00 C ATOM 1456 O GLY A 94 -3.682 -9.254 -1.893 1.00 0.00 O ATOM 0 H GLY A 94 -5.086 -11.108 -2.516 1.00 0.00 H new ATOM 0 HA2 GLY A 94 -2.333 -12.025 -2.056 1.00 0.00 H new ATOM 0 HA3 GLY A 94 -2.791 -11.622 -3.699 1.00 0.00 H new ATOM 1460 N LEU A 95 -1.568 -9.488 -2.628 1.00 0.00 N ATOM 1461 CA LEU A 95 -1.215 -8.093 -2.389 1.00 0.00 C ATOM 1462 C LEU A 95 -2.146 -7.156 -3.152 1.00 0.00 C ATOM 1463 O LEU A 95 -2.819 -6.312 -2.558 1.00 0.00 O ATOM 1464 CB LEU A 95 0.235 -7.835 -2.801 1.00 0.00 C ATOM 1465 CG LEU A 95 1.297 -8.129 -1.741 1.00 0.00 C ATOM 1466 CD1 LEU A 95 1.459 -6.942 -0.805 1.00 0.00 C ATOM 1467 CD2 LEU A 95 0.936 -9.383 -0.958 1.00 0.00 C ATOM 0 H LEU A 95 -0.812 -10.055 -3.012 1.00 0.00 H new ATOM 0 HA LEU A 95 -1.324 -7.895 -1.323 1.00 0.00 H new ATOM 0 HB2 LEU A 95 0.454 -8.438 -3.682 1.00 0.00 H new ATOM 0 HB3 LEU A 95 0.327 -6.790 -3.098 1.00 0.00 H new ATOM 0 HG LEU A 95 2.248 -8.301 -2.245 1.00 0.00 H new ATOM 0 HD11 LEU A 95 2.219 -7.169 -0.057 1.00 0.00 H new ATOM 0 HD12 LEU A 95 1.764 -6.066 -1.378 1.00 0.00 H new ATOM 0 HD13 LEU A 95 0.510 -6.738 -0.308 1.00 0.00 H new ATOM 0 HD21 LEU A 95 1.703 -9.577 -0.208 1.00 0.00 H new ATOM 0 HD22 LEU A 95 -0.026 -9.240 -0.465 1.00 0.00 H new ATOM 0 HD23 LEU A 95 0.872 -10.231 -1.639 1.00 0.00 H new ATOM 1479 N THR A 96 -2.183 -7.312 -4.471 1.00 0.00 N ATOM 1480 CA THR A 96 -3.033 -6.482 -5.316 1.00 0.00 C ATOM 1481 C THR A 96 -4.321 -6.101 -4.595 1.00 0.00 C ATOM 1482 O THR A 96 -4.716 -4.936 -4.586 1.00 0.00 O ATOM 1483 CB THR A 96 -3.387 -7.198 -6.633 1.00 0.00 C ATOM 1484 OG1 THR A 96 -2.216 -7.800 -7.194 1.00 0.00 O ATOM 1485 CG2 THR A 96 -3.991 -6.223 -7.633 1.00 0.00 C ATOM 0 H THR A 96 -1.634 -8.006 -4.978 1.00 0.00 H new ATOM 0 HA THR A 96 -2.467 -5.579 -5.543 1.00 0.00 H new ATOM 0 HB THR A 96 -4.123 -7.972 -6.414 1.00 0.00 H new ATOM 0 HG1 THR A 96 -1.448 -7.205 -7.065 1.00 0.00 H new ATOM 0 HG21 THR A 96 -4.233 -6.751 -8.555 1.00 0.00 H new ATOM 0 HG22 THR A 96 -4.899 -5.789 -7.215 1.00 0.00 H new ATOM 0 HG23 THR A 96 -3.274 -5.430 -7.846 1.00 0.00 H new ATOM 1493 N GLU A 97 -4.970 -7.092 -3.991 1.00 0.00 N ATOM 1494 CA GLU A 97 -6.215 -6.859 -3.267 1.00 0.00 C ATOM 1495 C GLU A 97 -5.952 -6.121 -1.957 1.00 0.00 C ATOM 1496 O GLU A 97 -6.490 -5.037 -1.724 1.00 0.00 O ATOM 1497 CB GLU A 97 -6.922 -8.186 -2.984 1.00 0.00 C ATOM 1498 CG GLU A 97 -7.588 -8.793 -4.207 1.00 0.00 C ATOM 1499 CD GLU A 97 -8.848 -8.053 -4.613 1.00 0.00 C ATOM 1500 OE1 GLU A 97 -9.699 -7.806 -3.734 1.00 0.00 O ATOM 1501 OE2 GLU A 97 -8.983 -7.722 -5.810 1.00 0.00 O ATOM 0 H GLU A 97 -4.655 -8.062 -3.989 1.00 0.00 H new ATOM 0 HA GLU A 97 -6.858 -6.239 -3.891 1.00 0.00 H new ATOM 0 HB2 GLU A 97 -6.198 -8.896 -2.585 1.00 0.00 H new ATOM 0 HB3 GLU A 97 -7.674 -8.030 -2.211 1.00 0.00 H new ATOM 0 HG2 GLU A 97 -6.884 -8.788 -5.039 1.00 0.00 H new ATOM 0 HG3 GLU A 97 -7.833 -9.835 -4.003 1.00 0.00 H new ATOM 1508 N LEU A 98 -5.123 -6.715 -1.106 1.00 0.00 N ATOM 1509 CA LEU A 98 -4.789 -6.115 0.181 1.00 0.00 C ATOM 1510 C LEU A 98 -4.515 -4.622 0.031 1.00 0.00 C ATOM 1511 O LEU A 98 -5.128 -3.797 0.709 1.00 0.00 O ATOM 1512 CB LEU A 98 -3.569 -6.810 0.788 1.00 0.00 C ATOM 1513 CG LEU A 98 -3.068 -6.246 2.118 1.00 0.00 C ATOM 1514 CD1 LEU A 98 -2.031 -5.160 1.881 1.00 0.00 C ATOM 1515 CD2 LEU A 98 -4.230 -5.706 2.940 1.00 0.00 C ATOM 0 H LEU A 98 -4.670 -7.611 -1.284 1.00 0.00 H new ATOM 0 HA LEU A 98 -5.642 -6.244 0.847 1.00 0.00 H new ATOM 0 HB2 LEU A 98 -3.810 -7.864 0.931 1.00 0.00 H new ATOM 0 HB3 LEU A 98 -2.753 -6.764 0.066 1.00 0.00 H new ATOM 0 HG LEU A 98 -2.597 -7.054 2.678 1.00 0.00 H new ATOM 0 HD11 LEU A 98 -1.686 -4.771 2.839 1.00 0.00 H new ATOM 0 HD12 LEU A 98 -1.186 -5.577 1.334 1.00 0.00 H new ATOM 0 HD13 LEU A 98 -2.476 -4.352 1.300 1.00 0.00 H new ATOM 0 HD21 LEU A 98 -3.855 -5.309 3.883 1.00 0.00 H new ATOM 0 HD22 LEU A 98 -4.730 -4.912 2.385 1.00 0.00 H new ATOM 0 HD23 LEU A 98 -4.938 -6.510 3.141 1.00 0.00 H new ATOM 1527 N VAL A 99 -3.592 -4.281 -0.863 1.00 0.00 N ATOM 1528 CA VAL A 99 -3.240 -2.887 -1.104 1.00 0.00 C ATOM 1529 C VAL A 99 -4.449 -2.088 -1.576 1.00 0.00 C ATOM 1530 O VAL A 99 -4.696 -0.980 -1.102 1.00 0.00 O ATOM 1531 CB VAL A 99 -2.118 -2.766 -2.153 1.00 0.00 C ATOM 1532 CG1 VAL A 99 -1.759 -1.306 -2.385 1.00 0.00 C ATOM 1533 CG2 VAL A 99 -0.896 -3.561 -1.719 1.00 0.00 C ATOM 0 H VAL A 99 -3.075 -4.951 -1.432 1.00 0.00 H new ATOM 0 HA VAL A 99 -2.888 -2.481 -0.156 1.00 0.00 H new ATOM 0 HB VAL A 99 -2.478 -3.181 -3.094 1.00 0.00 H new ATOM 0 HG11 VAL A 99 -0.965 -1.240 -3.129 1.00 0.00 H new ATOM 0 HG12 VAL A 99 -2.637 -0.768 -2.743 1.00 0.00 H new ATOM 0 HG13 VAL A 99 -1.418 -0.862 -1.450 1.00 0.00 H new ATOM 0 HG21 VAL A 99 -0.113 -3.465 -2.471 1.00 0.00 H new ATOM 0 HG22 VAL A 99 -0.532 -3.178 -0.766 1.00 0.00 H new ATOM 0 HG23 VAL A 99 -1.166 -4.611 -1.609 1.00 0.00 H new ATOM 1543 N GLU A 100 -5.201 -2.659 -2.511 1.00 0.00 N ATOM 1544 CA GLU A 100 -6.386 -1.999 -3.047 1.00 0.00 C ATOM 1545 C GLU A 100 -7.307 -1.537 -1.921 1.00 0.00 C ATOM 1546 O GLU A 100 -7.844 -0.430 -1.958 1.00 0.00 O ATOM 1547 CB GLU A 100 -7.142 -2.942 -3.985 1.00 0.00 C ATOM 1548 CG GLU A 100 -6.748 -2.794 -5.445 1.00 0.00 C ATOM 1549 CD GLU A 100 -7.893 -3.096 -6.392 1.00 0.00 C ATOM 1550 OE1 GLU A 100 -8.550 -4.143 -6.211 1.00 0.00 O ATOM 1551 OE2 GLU A 100 -8.131 -2.288 -7.313 1.00 0.00 O ATOM 0 H GLU A 100 -5.011 -3.577 -2.913 1.00 0.00 H new ATOM 0 HA GLU A 100 -6.060 -1.124 -3.609 1.00 0.00 H new ATOM 0 HB2 GLU A 100 -6.965 -3.971 -3.672 1.00 0.00 H new ATOM 0 HB3 GLU A 100 -8.212 -2.759 -3.886 1.00 0.00 H new ATOM 0 HG2 GLU A 100 -6.394 -1.778 -5.621 1.00 0.00 H new ATOM 0 HG3 GLU A 100 -5.916 -3.463 -5.662 1.00 0.00 H new ATOM 1558 N PHE A 101 -7.485 -2.394 -0.921 1.00 0.00 N ATOM 1559 CA PHE A 101 -8.342 -2.076 0.215 1.00 0.00 C ATOM 1560 C PHE A 101 -7.767 -0.916 1.022 1.00 0.00 C ATOM 1561 O PHE A 101 -8.470 0.044 1.338 1.00 0.00 O ATOM 1562 CB PHE A 101 -8.510 -3.303 1.114 1.00 0.00 C ATOM 1563 CG PHE A 101 -9.546 -3.123 2.187 1.00 0.00 C ATOM 1564 CD1 PHE A 101 -9.229 -2.480 3.372 1.00 0.00 C ATOM 1565 CD2 PHE A 101 -10.836 -3.595 2.009 1.00 0.00 C ATOM 1566 CE1 PHE A 101 -10.180 -2.313 4.361 1.00 0.00 C ATOM 1567 CE2 PHE A 101 -11.791 -3.432 2.995 1.00 0.00 C ATOM 1568 CZ PHE A 101 -11.463 -2.789 4.172 1.00 0.00 C ATOM 0 H PHE A 101 -7.047 -3.314 -0.874 1.00 0.00 H new ATOM 0 HA PHE A 101 -9.318 -1.780 -0.170 1.00 0.00 H new ATOM 0 HB2 PHE A 101 -8.782 -4.160 0.498 1.00 0.00 H new ATOM 0 HB3 PHE A 101 -7.553 -3.536 1.580 1.00 0.00 H new ATOM 0 HD1 PHE A 101 -8.228 -2.105 3.525 1.00 0.00 H new ATOM 0 HD2 PHE A 101 -11.099 -4.096 1.089 1.00 0.00 H new ATOM 0 HE1 PHE A 101 -9.920 -1.811 5.281 1.00 0.00 H new ATOM 0 HE2 PHE A 101 -12.793 -3.807 2.845 1.00 0.00 H new ATOM 0 HZ PHE A 101 -12.208 -2.658 4.943 1.00 0.00 H new ATOM 1578 N TYR A 102 -6.484 -1.012 1.353 1.00 0.00 N ATOM 1579 CA TYR A 102 -5.814 0.027 2.126 1.00 0.00 C ATOM 1580 C TYR A 102 -5.787 1.345 1.358 1.00 0.00 C ATOM 1581 O TYR A 102 -5.630 2.415 1.946 1.00 0.00 O ATOM 1582 CB TYR A 102 -4.387 -0.404 2.470 1.00 0.00 C ATOM 1583 CG TYR A 102 -4.318 -1.464 3.547 1.00 0.00 C ATOM 1584 CD1 TYR A 102 -5.142 -1.402 4.663 1.00 0.00 C ATOM 1585 CD2 TYR A 102 -3.428 -2.526 3.447 1.00 0.00 C ATOM 1586 CE1 TYR A 102 -5.082 -2.367 5.650 1.00 0.00 C ATOM 1587 CE2 TYR A 102 -3.362 -3.497 4.428 1.00 0.00 C ATOM 1588 CZ TYR A 102 -4.190 -3.413 5.527 1.00 0.00 C ATOM 1589 OH TYR A 102 -4.128 -4.377 6.507 1.00 0.00 O ATOM 0 H TYR A 102 -5.887 -1.799 1.098 1.00 0.00 H new ATOM 0 HA TYR A 102 -6.374 0.176 3.049 1.00 0.00 H new ATOM 0 HB2 TYR A 102 -3.903 -0.781 1.569 1.00 0.00 H new ATOM 0 HB3 TYR A 102 -3.821 0.469 2.794 1.00 0.00 H new ATOM 0 HD1 TYR A 102 -5.842 -0.585 4.761 1.00 0.00 H new ATOM 0 HD2 TYR A 102 -2.777 -2.594 2.588 1.00 0.00 H new ATOM 0 HE1 TYR A 102 -5.729 -2.303 6.512 1.00 0.00 H new ATOM 0 HE2 TYR A 102 -2.666 -4.317 4.334 1.00 0.00 H new ATOM 0 HH TYR A 102 -3.598 -5.136 6.186 1.00 0.00 H new ATOM 1599 N GLN A 103 -5.942 1.259 0.041 1.00 0.00 N ATOM 1600 CA GLN A 103 -5.936 2.444 -0.808 1.00 0.00 C ATOM 1601 C GLN A 103 -7.187 3.286 -0.576 1.00 0.00 C ATOM 1602 O GLN A 103 -7.290 4.408 -1.071 1.00 0.00 O ATOM 1603 CB GLN A 103 -5.844 2.042 -2.281 1.00 0.00 C ATOM 1604 CG GLN A 103 -4.436 1.682 -2.726 1.00 0.00 C ATOM 1605 CD GLN A 103 -4.396 1.103 -4.127 1.00 0.00 C ATOM 1606 OE1 GLN A 103 -5.369 1.194 -4.876 1.00 0.00 O ATOM 1607 NE2 GLN A 103 -3.268 0.503 -4.488 1.00 0.00 N ATOM 0 H GLN A 103 -6.073 0.381 -0.461 1.00 0.00 H new ATOM 0 HA GLN A 103 -5.063 3.042 -0.547 1.00 0.00 H new ATOM 0 HB2 GLN A 103 -6.501 1.191 -2.458 1.00 0.00 H new ATOM 0 HB3 GLN A 103 -6.212 2.863 -2.897 1.00 0.00 H new ATOM 0 HG2 GLN A 103 -3.808 2.572 -2.687 1.00 0.00 H new ATOM 0 HG3 GLN A 103 -4.011 0.961 -2.027 1.00 0.00 H new ATOM 0 HE21 GLN A 103 -2.486 0.451 -3.835 1.00 0.00 H new ATOM 0 HE22 GLN A 103 -3.183 0.094 -5.419 1.00 0.00 H new ATOM 1616 N GLN A 104 -8.133 2.736 0.179 1.00 0.00 N ATOM 1617 CA GLN A 104 -9.377 3.437 0.474 1.00 0.00 C ATOM 1618 C GLN A 104 -9.534 3.656 1.976 1.00 0.00 C ATOM 1619 O GLN A 104 -10.336 4.481 2.411 1.00 0.00 O ATOM 1620 CB GLN A 104 -10.571 2.650 -0.067 1.00 0.00 C ATOM 1621 CG GLN A 104 -10.338 1.149 -0.118 1.00 0.00 C ATOM 1622 CD GLN A 104 -11.318 0.437 -1.030 1.00 0.00 C ATOM 1623 OE1 GLN A 104 -11.286 0.609 -2.248 1.00 0.00 O ATOM 1624 NE2 GLN A 104 -12.195 -0.369 -0.443 1.00 0.00 N ATOM 0 H GLN A 104 -8.062 1.808 0.597 1.00 0.00 H new ATOM 0 HA GLN A 104 -9.342 4.410 -0.015 1.00 0.00 H new ATOM 0 HB2 GLN A 104 -11.442 2.853 0.556 1.00 0.00 H new ATOM 0 HB3 GLN A 104 -10.807 3.007 -1.070 1.00 0.00 H new ATOM 0 HG2 GLN A 104 -9.322 0.954 -0.460 1.00 0.00 H new ATOM 0 HG3 GLN A 104 -10.420 0.738 0.888 1.00 0.00 H new ATOM 0 HE21 GLN A 104 -12.185 -0.482 0.571 1.00 0.00 H new ATOM 0 HE22 GLN A 104 -12.878 -0.876 -1.006 1.00 0.00 H new ATOM 1633 N ASN A 105 -8.764 2.911 2.761 1.00 0.00 N ATOM 1634 CA ASN A 105 -8.819 3.023 4.214 1.00 0.00 C ATOM 1635 C ASN A 105 -7.445 3.357 4.787 1.00 0.00 C ATOM 1636 O ASN A 105 -6.420 2.920 4.264 1.00 0.00 O ATOM 1637 CB ASN A 105 -9.336 1.720 4.828 1.00 0.00 C ATOM 1638 CG ASN A 105 -10.676 1.302 4.253 1.00 0.00 C ATOM 1639 OD1 ASN A 105 -11.724 1.551 4.849 1.00 0.00 O ATOM 1640 ND2 ASN A 105 -10.647 0.663 3.089 1.00 0.00 N ATOM 0 H ASN A 105 -8.094 2.223 2.416 1.00 0.00 H new ATOM 0 HA ASN A 105 -9.504 3.833 4.465 1.00 0.00 H new ATOM 0 HB2 ASN A 105 -8.607 0.927 4.658 1.00 0.00 H new ATOM 0 HB3 ASN A 105 -9.429 1.842 5.907 1.00 0.00 H new ATOM 0 HD21 ASN A 105 -11.517 0.357 2.653 1.00 0.00 H new ATOM 0 HD22 ASN A 105 -9.755 0.478 2.631 1.00 0.00 H new ATOM 1647 N SER A 106 -7.432 4.135 5.865 1.00 0.00 N ATOM 1648 CA SER A 106 -6.184 4.531 6.507 1.00 0.00 C ATOM 1649 C SER A 106 -5.477 3.321 7.111 1.00 0.00 C ATOM 1650 O SER A 106 -6.119 2.397 7.611 1.00 0.00 O ATOM 1651 CB SER A 106 -6.454 5.573 7.593 1.00 0.00 C ATOM 1652 OG SER A 106 -6.511 6.879 7.045 1.00 0.00 O ATOM 0 H SER A 106 -8.272 4.503 6.312 1.00 0.00 H new ATOM 0 HA SER A 106 -5.535 4.968 5.748 1.00 0.00 H new ATOM 0 HB2 SER A 106 -7.394 5.345 8.095 1.00 0.00 H new ATOM 0 HB3 SER A 106 -5.670 5.526 8.349 1.00 0.00 H new ATOM 0 HG SER A 106 -6.686 7.526 7.760 1.00 0.00 H new ATOM 1658 N LEU A 107 -4.149 3.335 7.061 1.00 0.00 N ATOM 1659 CA LEU A 107 -3.352 2.240 7.603 1.00 0.00 C ATOM 1660 C LEU A 107 -3.297 2.308 9.126 1.00 0.00 C ATOM 1661 O LEU A 107 -2.866 1.362 9.785 1.00 0.00 O ATOM 1662 CB LEU A 107 -1.935 2.281 7.028 1.00 0.00 C ATOM 1663 CG LEU A 107 -1.767 1.717 5.617 1.00 0.00 C ATOM 1664 CD1 LEU A 107 -1.478 0.225 5.669 1.00 0.00 C ATOM 1665 CD2 LEU A 107 -3.008 1.993 4.780 1.00 0.00 C ATOM 0 H LEU A 107 -3.602 4.092 6.651 1.00 0.00 H new ATOM 0 HA LEU A 107 -3.827 1.302 7.317 1.00 0.00 H new ATOM 0 HB2 LEU A 107 -1.595 3.317 7.027 1.00 0.00 H new ATOM 0 HB3 LEU A 107 -1.276 1.730 7.699 1.00 0.00 H new ATOM 0 HG LEU A 107 -0.919 2.214 5.147 1.00 0.00 H new ATOM 0 HD11 LEU A 107 -1.362 -0.159 4.655 1.00 0.00 H new ATOM 0 HD12 LEU A 107 -0.560 0.052 6.230 1.00 0.00 H new ATOM 0 HD13 LEU A 107 -2.305 -0.289 6.159 1.00 0.00 H new ATOM 0 HD21 LEU A 107 -2.870 1.584 3.779 1.00 0.00 H new ATOM 0 HD22 LEU A 107 -3.874 1.524 5.247 1.00 0.00 H new ATOM 0 HD23 LEU A 107 -3.170 3.069 4.713 1.00 0.00 H new ATOM 1677 N LYS A 108 -3.739 3.432 9.679 1.00 0.00 N ATOM 1678 CA LYS A 108 -3.744 3.624 11.124 1.00 0.00 C ATOM 1679 C LYS A 108 -4.206 2.359 11.839 1.00 0.00 C ATOM 1680 O LYS A 108 -3.723 2.036 12.924 1.00 0.00 O ATOM 1681 CB LYS A 108 -4.654 4.796 11.500 1.00 0.00 C ATOM 1682 CG LYS A 108 -6.134 4.488 11.355 1.00 0.00 C ATOM 1683 CD LYS A 108 -6.968 5.758 11.334 1.00 0.00 C ATOM 1684 CE LYS A 108 -8.457 5.448 11.368 1.00 0.00 C ATOM 1685 NZ LYS A 108 -9.282 6.688 11.380 1.00 0.00 N ATOM 0 H LYS A 108 -4.099 4.225 9.148 1.00 0.00 H new ATOM 0 HA LYS A 108 -2.725 3.847 11.439 1.00 0.00 H new ATOM 0 HB2 LYS A 108 -4.451 5.086 12.531 1.00 0.00 H new ATOM 0 HB3 LYS A 108 -4.407 5.653 10.873 1.00 0.00 H new ATOM 0 HG2 LYS A 108 -6.301 3.926 10.436 1.00 0.00 H new ATOM 0 HG3 LYS A 108 -6.457 3.853 12.180 1.00 0.00 H new ATOM 0 HD2 LYS A 108 -6.705 6.381 12.189 1.00 0.00 H new ATOM 0 HD3 LYS A 108 -6.735 6.333 10.437 1.00 0.00 H new ATOM 0 HE2 LYS A 108 -8.722 4.844 10.500 1.00 0.00 H new ATOM 0 HE3 LYS A 108 -8.684 4.852 12.252 1.00 0.00 H new ATOM 0 HZ1 LYS A 108 -10.290 6.434 11.403 1.00 0.00 H new ATOM 0 HZ2 LYS A 108 -9.048 7.253 12.221 1.00 0.00 H new ATOM 0 HZ3 LYS A 108 -9.085 7.244 10.524 1.00 0.00 H new ATOM 1699 N ASP A 109 -5.143 1.645 11.224 1.00 0.00 N ATOM 1700 CA ASP A 109 -5.668 0.413 11.801 1.00 0.00 C ATOM 1701 C ASP A 109 -4.552 -0.405 12.442 1.00 0.00 C ATOM 1702 O ASP A 109 -4.721 -0.958 13.530 1.00 0.00 O ATOM 1703 CB ASP A 109 -6.374 -0.417 10.727 1.00 0.00 C ATOM 1704 CG ASP A 109 -6.701 -1.819 11.202 1.00 0.00 C ATOM 1705 OD1 ASP A 109 -6.677 -2.051 12.429 1.00 0.00 O ATOM 1706 OD2 ASP A 109 -6.982 -2.684 10.347 1.00 0.00 O ATOM 0 H ASP A 109 -5.554 1.899 10.326 1.00 0.00 H new ATOM 0 HA ASP A 109 -6.388 0.680 12.575 1.00 0.00 H new ATOM 0 HB2 ASP A 109 -7.294 0.086 10.429 1.00 0.00 H new ATOM 0 HB3 ASP A 109 -5.741 -0.475 9.842 1.00 0.00 H new ATOM 1711 N CYS A 110 -3.414 -0.479 11.762 1.00 0.00 N ATOM 1712 CA CYS A 110 -2.270 -1.232 12.265 1.00 0.00 C ATOM 1713 C CYS A 110 -1.307 -0.319 13.017 1.00 0.00 C ATOM 1714 O CYS A 110 -0.629 -0.750 13.951 1.00 0.00 O ATOM 1715 CB CYS A 110 -1.541 -1.923 11.112 1.00 0.00 C ATOM 1716 SG CYS A 110 -0.478 -3.293 11.625 1.00 0.00 S ATOM 0 H CYS A 110 -3.258 -0.027 10.861 1.00 0.00 H new ATOM 0 HA CYS A 110 -2.640 -1.989 12.957 1.00 0.00 H new ATOM 0 HB2 CYS A 110 -2.279 -2.296 10.402 1.00 0.00 H new ATOM 0 HB3 CYS A 110 -0.936 -1.185 10.585 1.00 0.00 H new ATOM 0 HG CYS A 110 -0.579 -4.265 10.768 1.00 0.00 H new ATOM 1722 N PHE A 111 -1.251 0.942 12.604 1.00 0.00 N ATOM 1723 CA PHE A 111 -0.368 1.915 13.238 1.00 0.00 C ATOM 1724 C PHE A 111 -1.099 3.232 13.485 1.00 0.00 C ATOM 1725 O PHE A 111 -0.966 4.184 12.715 1.00 0.00 O ATOM 1726 CB PHE A 111 0.865 2.160 12.366 1.00 0.00 C ATOM 1727 CG PHE A 111 1.669 0.919 12.103 1.00 0.00 C ATOM 1728 CD1 PHE A 111 2.579 0.455 13.039 1.00 0.00 C ATOM 1729 CD2 PHE A 111 1.514 0.215 10.919 1.00 0.00 C ATOM 1730 CE1 PHE A 111 3.320 -0.686 12.799 1.00 0.00 C ATOM 1731 CE2 PHE A 111 2.252 -0.927 10.674 1.00 0.00 C ATOM 1732 CZ PHE A 111 3.156 -1.379 11.615 1.00 0.00 C ATOM 0 H PHE A 111 -1.806 1.315 11.834 1.00 0.00 H new ATOM 0 HA PHE A 111 -0.051 1.509 14.199 1.00 0.00 H new ATOM 0 HB2 PHE A 111 0.548 2.587 11.414 1.00 0.00 H new ATOM 0 HB3 PHE A 111 1.502 2.900 12.851 1.00 0.00 H new ATOM 0 HD1 PHE A 111 2.711 0.992 13.967 1.00 0.00 H new ATOM 0 HD2 PHE A 111 0.808 0.563 10.179 1.00 0.00 H new ATOM 0 HE1 PHE A 111 4.027 -1.036 13.536 1.00 0.00 H new ATOM 0 HE2 PHE A 111 2.122 -1.466 9.747 1.00 0.00 H new ATOM 0 HZ PHE A 111 3.733 -2.272 11.426 1.00 0.00 H new ATOM 1742 N LYS A 112 -1.872 3.279 14.565 1.00 0.00 N ATOM 1743 CA LYS A 112 -2.625 4.477 14.917 1.00 0.00 C ATOM 1744 C LYS A 112 -1.786 5.731 14.692 1.00 0.00 C ATOM 1745 O LYS A 112 -2.310 6.780 14.317 1.00 0.00 O ATOM 1746 CB LYS A 112 -3.079 4.409 16.377 1.00 0.00 C ATOM 1747 CG LYS A 112 -1.956 4.635 17.374 1.00 0.00 C ATOM 1748 CD LYS A 112 -1.111 3.386 17.556 1.00 0.00 C ATOM 1749 CE LYS A 112 0.129 3.668 18.391 1.00 0.00 C ATOM 1750 NZ LYS A 112 -0.188 3.751 19.844 1.00 0.00 N ATOM 0 H LYS A 112 -1.993 2.500 15.212 1.00 0.00 H new ATOM 0 HA LYS A 112 -3.503 4.527 14.273 1.00 0.00 H new ATOM 0 HB2 LYS A 112 -3.856 5.155 16.542 1.00 0.00 H new ATOM 0 HB3 LYS A 112 -3.529 3.434 16.564 1.00 0.00 H new ATOM 0 HG2 LYS A 112 -1.325 5.455 17.032 1.00 0.00 H new ATOM 0 HG3 LYS A 112 -2.376 4.934 18.334 1.00 0.00 H new ATOM 0 HD2 LYS A 112 -1.706 2.610 18.037 1.00 0.00 H new ATOM 0 HD3 LYS A 112 -0.814 3.001 16.580 1.00 0.00 H new ATOM 0 HE2 LYS A 112 0.866 2.882 18.224 1.00 0.00 H new ATOM 0 HE3 LYS A 112 0.582 4.604 18.064 1.00 0.00 H new ATOM 0 HZ1 LYS A 112 0.683 3.944 20.379 1.00 0.00 H new ATOM 0 HZ2 LYS A 112 -0.872 4.518 20.007 1.00 0.00 H new ATOM 0 HZ3 LYS A 112 -0.597 2.849 20.162 1.00 0.00 H new ATOM 1764 N SER A 113 -0.482 5.615 14.923 1.00 0.00 N ATOM 1765 CA SER A 113 0.428 6.741 14.748 1.00 0.00 C ATOM 1766 C SER A 113 0.549 7.118 13.275 1.00 0.00 C ATOM 1767 O SER A 113 0.614 8.297 12.927 1.00 0.00 O ATOM 1768 CB SER A 113 1.808 6.401 15.315 1.00 0.00 C ATOM 1769 OG SER A 113 2.723 7.462 15.101 1.00 0.00 O ATOM 0 H SER A 113 -0.032 4.753 15.232 1.00 0.00 H new ATOM 0 HA SER A 113 0.020 7.594 15.290 1.00 0.00 H new ATOM 0 HB2 SER A 113 1.726 6.197 16.383 1.00 0.00 H new ATOM 0 HB3 SER A 113 2.184 5.492 14.845 1.00 0.00 H new ATOM 0 HG SER A 113 3.597 7.221 15.474 1.00 0.00 H new ATOM 1775 N LEU A 114 0.580 6.107 12.413 1.00 0.00 N ATOM 1776 CA LEU A 114 0.693 6.330 10.976 1.00 0.00 C ATOM 1777 C LEU A 114 -0.679 6.303 10.310 1.00 0.00 C ATOM 1778 O LEU A 114 -1.206 5.236 9.995 1.00 0.00 O ATOM 1779 CB LEU A 114 1.599 5.271 10.345 1.00 0.00 C ATOM 1780 CG LEU A 114 1.715 5.308 8.821 1.00 0.00 C ATOM 1781 CD1 LEU A 114 2.099 6.702 8.348 1.00 0.00 C ATOM 1782 CD2 LEU A 114 2.729 4.281 8.338 1.00 0.00 C ATOM 0 H LEU A 114 0.528 5.125 12.684 1.00 0.00 H new ATOM 0 HA LEU A 114 1.132 7.315 10.821 1.00 0.00 H new ATOM 0 HB2 LEU A 114 2.598 5.378 10.768 1.00 0.00 H new ATOM 0 HB3 LEU A 114 1.232 4.287 10.638 1.00 0.00 H new ATOM 0 HG LEU A 114 0.743 5.057 8.396 1.00 0.00 H new ATOM 0 HD11 LEU A 114 2.177 6.709 7.261 1.00 0.00 H new ATOM 0 HD12 LEU A 114 1.337 7.415 8.662 1.00 0.00 H new ATOM 0 HD13 LEU A 114 3.059 6.982 8.782 1.00 0.00 H new ATOM 0 HD21 LEU A 114 2.798 4.322 7.251 1.00 0.00 H new ATOM 0 HD22 LEU A 114 3.704 4.501 8.772 1.00 0.00 H new ATOM 0 HD23 LEU A 114 2.412 3.284 8.644 1.00 0.00 H new ATOM 1794 N ASP A 115 -1.252 7.483 10.098 1.00 0.00 N ATOM 1795 CA ASP A 115 -2.561 7.594 9.467 1.00 0.00 C ATOM 1796 C ASP A 115 -2.425 7.974 7.996 1.00 0.00 C ATOM 1797 O ASP A 115 -2.769 9.086 7.595 1.00 0.00 O ATOM 1798 CB ASP A 115 -3.416 8.632 10.197 1.00 0.00 C ATOM 1799 CG ASP A 115 -3.285 8.534 11.704 1.00 0.00 C ATOM 1800 OD1 ASP A 115 -2.286 9.050 12.248 1.00 0.00 O ATOM 1801 OD2 ASP A 115 -4.181 7.941 12.340 1.00 0.00 O ATOM 0 H ASP A 115 -0.830 8.376 10.354 1.00 0.00 H new ATOM 0 HA ASP A 115 -3.050 6.622 9.529 1.00 0.00 H new ATOM 0 HB2 ASP A 115 -3.124 9.631 9.874 1.00 0.00 H new ATOM 0 HB3 ASP A 115 -4.461 8.500 9.917 1.00 0.00 H new ATOM 1806 N THR A 116 -1.919 7.041 7.194 1.00 0.00 N ATOM 1807 CA THR A 116 -1.735 7.278 5.768 1.00 0.00 C ATOM 1808 C THR A 116 -2.425 6.202 4.938 1.00 0.00 C ATOM 1809 O THR A 116 -3.119 5.338 5.476 1.00 0.00 O ATOM 1810 CB THR A 116 -0.241 7.319 5.394 1.00 0.00 C ATOM 1811 OG1 THR A 116 -0.082 7.837 4.068 1.00 0.00 O ATOM 1812 CG2 THR A 116 0.376 5.932 5.479 1.00 0.00 C ATOM 0 H THR A 116 -1.630 6.115 7.509 1.00 0.00 H new ATOM 0 HA THR A 116 -2.184 8.246 5.548 1.00 0.00 H new ATOM 0 HB THR A 116 0.271 7.971 6.102 1.00 0.00 H new ATOM 0 HG1 THR A 116 0.045 8.808 4.109 1.00 0.00 H new ATOM 0 HG21 THR A 116 1.431 5.986 5.211 1.00 0.00 H new ATOM 0 HG22 THR A 116 0.279 5.552 6.496 1.00 0.00 H new ATOM 0 HG23 THR A 116 -0.139 5.262 4.791 1.00 0.00 H new ATOM 1820 N THR A 117 -2.231 6.258 3.624 1.00 0.00 N ATOM 1821 CA THR A 117 -2.835 5.288 2.720 1.00 0.00 C ATOM 1822 C THR A 117 -2.004 5.126 1.452 1.00 0.00 C ATOM 1823 O THR A 117 -1.213 6.002 1.100 1.00 0.00 O ATOM 1824 CB THR A 117 -4.268 5.699 2.332 1.00 0.00 C ATOM 1825 OG1 THR A 117 -4.334 7.114 2.128 1.00 0.00 O ATOM 1826 CG2 THR A 117 -5.259 5.290 3.411 1.00 0.00 C ATOM 0 H THR A 117 -1.660 6.966 3.162 1.00 0.00 H new ATOM 0 HA THR A 117 -2.869 4.338 3.253 1.00 0.00 H new ATOM 0 HB THR A 117 -4.531 5.187 1.406 1.00 0.00 H new ATOM 0 HG1 THR A 117 -5.248 7.366 1.880 1.00 0.00 H new ATOM 0 HG21 THR A 117 -6.264 5.591 3.115 1.00 0.00 H new ATOM 0 HG22 THR A 117 -5.228 4.208 3.543 1.00 0.00 H new ATOM 0 HG23 THR A 117 -4.996 5.777 4.350 1.00 0.00 H new ATOM 1834 N LEU A 118 -2.188 4.001 0.769 1.00 0.00 N ATOM 1835 CA LEU A 118 -1.455 3.725 -0.461 1.00 0.00 C ATOM 1836 C LEU A 118 -1.854 4.701 -1.563 1.00 0.00 C ATOM 1837 O LEU A 118 -2.882 4.527 -2.216 1.00 0.00 O ATOM 1838 CB LEU A 118 -1.712 2.288 -0.919 1.00 0.00 C ATOM 1839 CG LEU A 118 -1.280 1.187 0.050 1.00 0.00 C ATOM 1840 CD1 LEU A 118 0.180 1.361 0.439 1.00 0.00 C ATOM 1841 CD2 LEU A 118 -2.167 1.187 1.287 1.00 0.00 C ATOM 0 H LEU A 118 -2.838 3.266 1.046 1.00 0.00 H new ATOM 0 HA LEU A 118 -0.392 3.851 -0.258 1.00 0.00 H new ATOM 0 HB2 LEU A 118 -2.779 2.175 -1.113 1.00 0.00 H new ATOM 0 HB3 LEU A 118 -1.197 2.133 -1.867 1.00 0.00 H new ATOM 0 HG LEU A 118 -1.389 0.225 -0.451 1.00 0.00 H new ATOM 0 HD11 LEU A 118 0.470 0.568 1.129 1.00 0.00 H new ATOM 0 HD12 LEU A 118 0.803 1.310 -0.454 1.00 0.00 H new ATOM 0 HD13 LEU A 118 0.315 2.329 0.921 1.00 0.00 H new ATOM 0 HD21 LEU A 118 -1.845 0.397 1.966 1.00 0.00 H new ATOM 0 HD22 LEU A 118 -2.090 2.151 1.790 1.00 0.00 H new ATOM 0 HD23 LEU A 118 -3.202 1.013 0.993 1.00 0.00 H new ATOM 1853 N GLN A 119 -1.032 5.725 -1.766 1.00 0.00 N ATOM 1854 CA GLN A 119 -1.298 6.727 -2.790 1.00 0.00 C ATOM 1855 C GLN A 119 -0.875 6.225 -4.166 1.00 0.00 C ATOM 1856 O GLN A 119 -1.715 5.913 -5.011 1.00 0.00 O ATOM 1857 CB GLN A 119 -0.566 8.030 -2.462 1.00 0.00 C ATOM 1858 CG GLN A 119 -0.739 8.478 -1.020 1.00 0.00 C ATOM 1859 CD GLN A 119 -0.777 9.987 -0.878 1.00 0.00 C ATOM 1860 OE1 GLN A 119 -0.281 10.716 -1.738 1.00 0.00 O ATOM 1861 NE2 GLN A 119 -1.369 10.465 0.211 1.00 0.00 N ATOM 0 H GLN A 119 -0.176 5.882 -1.234 1.00 0.00 H new ATOM 0 HA GLN A 119 -2.371 6.916 -2.807 1.00 0.00 H new ATOM 0 HB2 GLN A 119 0.496 7.902 -2.669 1.00 0.00 H new ATOM 0 HB3 GLN A 119 -0.927 8.817 -3.124 1.00 0.00 H new ATOM 0 HG2 GLN A 119 -1.661 8.056 -0.621 1.00 0.00 H new ATOM 0 HG3 GLN A 119 0.079 8.081 -0.420 1.00 0.00 H new ATOM 0 HE21 GLN A 119 -1.767 9.825 0.898 1.00 0.00 H new ATOM 0 HE22 GLN A 119 -1.426 11.472 0.360 1.00 0.00 H new ATOM 1870 N PHE A 120 0.434 6.150 -4.386 1.00 0.00 N ATOM 1871 CA PHE A 120 0.969 5.686 -5.661 1.00 0.00 C ATOM 1872 C PHE A 120 2.206 4.819 -5.449 1.00 0.00 C ATOM 1873 O PHE A 120 2.919 4.943 -4.452 1.00 0.00 O ATOM 1874 CB PHE A 120 1.316 6.878 -6.556 1.00 0.00 C ATOM 1875 CG PHE A 120 0.504 8.107 -6.259 1.00 0.00 C ATOM 1876 CD1 PHE A 120 -0.854 8.139 -6.531 1.00 0.00 C ATOM 1877 CD2 PHE A 120 1.100 9.230 -5.709 1.00 0.00 C ATOM 1878 CE1 PHE A 120 -1.603 9.267 -6.259 1.00 0.00 C ATOM 1879 CE2 PHE A 120 0.356 10.362 -5.434 1.00 0.00 C ATOM 1880 CZ PHE A 120 -0.998 10.381 -5.711 1.00 0.00 C ATOM 0 H PHE A 120 1.143 6.404 -3.698 1.00 0.00 H new ATOM 0 HA PHE A 120 0.204 5.083 -6.150 1.00 0.00 H new ATOM 0 HB2 PHE A 120 2.374 7.114 -6.439 1.00 0.00 H new ATOM 0 HB3 PHE A 120 1.165 6.596 -7.598 1.00 0.00 H new ATOM 0 HD1 PHE A 120 -1.333 7.272 -6.961 1.00 0.00 H new ATOM 0 HD2 PHE A 120 2.158 9.221 -5.493 1.00 0.00 H new ATOM 0 HE1 PHE A 120 -2.661 9.278 -6.475 1.00 0.00 H new ATOM 0 HE2 PHE A 120 0.832 11.230 -5.003 1.00 0.00 H new ATOM 0 HZ PHE A 120 -1.581 11.265 -5.499 1.00 0.00 H new ATOM 1890 N PRO A 121 2.469 3.918 -6.407 1.00 0.00 N ATOM 1891 CA PRO A 121 3.619 3.012 -6.348 1.00 0.00 C ATOM 1892 C PRO A 121 4.944 3.743 -6.537 1.00 0.00 C ATOM 1893 O PRO A 121 4.969 4.954 -6.758 1.00 0.00 O ATOM 1894 CB PRO A 121 3.371 2.047 -7.510 1.00 0.00 C ATOM 1895 CG PRO A 121 2.522 2.814 -8.465 1.00 0.00 C ATOM 1896 CD PRO A 121 1.662 3.715 -7.622 1.00 0.00 C ATOM 0 HA PRO A 121 3.701 2.521 -5.378 1.00 0.00 H new ATOM 0 HB2 PRO A 121 4.307 1.737 -7.974 1.00 0.00 H new ATOM 0 HB3 PRO A 121 2.867 1.141 -7.172 1.00 0.00 H new ATOM 0 HG2 PRO A 121 3.136 3.393 -9.155 1.00 0.00 H new ATOM 0 HG3 PRO A 121 1.910 2.144 -9.069 1.00 0.00 H new ATOM 0 HD2 PRO A 121 1.452 4.658 -8.127 1.00 0.00 H new ATOM 0 HD3 PRO A 121 0.701 3.255 -7.394 1.00 0.00 H new ATOM 1904 N PHE A 122 6.042 3.001 -6.450 1.00 0.00 N ATOM 1905 CA PHE A 122 7.371 3.580 -6.611 1.00 0.00 C ATOM 1906 C PHE A 122 7.829 3.494 -8.064 1.00 0.00 C ATOM 1907 O PHE A 122 8.437 4.426 -8.592 1.00 0.00 O ATOM 1908 CB PHE A 122 8.375 2.865 -5.704 1.00 0.00 C ATOM 1909 CG PHE A 122 8.976 1.636 -6.326 1.00 0.00 C ATOM 1910 CD1 PHE A 122 8.331 0.413 -6.237 1.00 0.00 C ATOM 1911 CD2 PHE A 122 10.184 1.705 -7.001 1.00 0.00 C ATOM 1912 CE1 PHE A 122 8.882 -0.719 -6.808 1.00 0.00 C ATOM 1913 CE2 PHE A 122 10.739 0.577 -7.574 1.00 0.00 C ATOM 1914 CZ PHE A 122 10.087 -0.637 -7.478 1.00 0.00 C ATOM 0 H PHE A 122 6.038 1.997 -6.269 1.00 0.00 H new ATOM 0 HA PHE A 122 7.320 4.631 -6.327 1.00 0.00 H new ATOM 0 HB2 PHE A 122 9.175 3.558 -5.443 1.00 0.00 H new ATOM 0 HB3 PHE A 122 7.879 2.586 -4.775 1.00 0.00 H new ATOM 0 HD1 PHE A 122 7.388 0.343 -5.716 1.00 0.00 H new ATOM 0 HD2 PHE A 122 10.698 2.652 -7.080 1.00 0.00 H new ATOM 0 HE1 PHE A 122 8.370 -1.667 -6.730 1.00 0.00 H new ATOM 0 HE2 PHE A 122 11.682 0.644 -8.097 1.00 0.00 H new ATOM 0 HZ PHE A 122 10.518 -1.520 -7.926 1.00 0.00 H new ATOM 1924 N LYS A 123 7.534 2.368 -8.705 1.00 0.00 N ATOM 1925 CA LYS A 123 7.914 2.158 -10.097 1.00 0.00 C ATOM 1926 C LYS A 123 7.175 3.127 -11.015 1.00 0.00 C ATOM 1927 O LYS A 123 7.618 3.398 -12.131 1.00 0.00 O ATOM 1928 CB LYS A 123 7.619 0.716 -10.516 1.00 0.00 C ATOM 1929 CG LYS A 123 8.668 -0.279 -10.052 1.00 0.00 C ATOM 1930 CD LYS A 123 8.810 -1.435 -11.028 1.00 0.00 C ATOM 1931 CE LYS A 123 9.356 -2.679 -10.343 1.00 0.00 C ATOM 1932 NZ LYS A 123 9.813 -3.699 -11.327 1.00 0.00 N ATOM 0 H LYS A 123 7.033 1.587 -8.282 1.00 0.00 H new ATOM 0 HA LYS A 123 8.984 2.344 -10.187 1.00 0.00 H new ATOM 0 HB2 LYS A 123 6.649 0.422 -10.116 1.00 0.00 H new ATOM 0 HB3 LYS A 123 7.543 0.671 -11.602 1.00 0.00 H new ATOM 0 HG2 LYS A 123 9.628 0.227 -9.943 1.00 0.00 H new ATOM 0 HG3 LYS A 123 8.397 -0.663 -9.069 1.00 0.00 H new ATOM 0 HD2 LYS A 123 7.840 -1.659 -11.472 1.00 0.00 H new ATOM 0 HD3 LYS A 123 9.474 -1.146 -11.842 1.00 0.00 H new ATOM 0 HE2 LYS A 123 10.187 -2.401 -9.695 1.00 0.00 H new ATOM 0 HE3 LYS A 123 8.585 -3.110 -9.705 1.00 0.00 H new ATOM 0 HZ1 LYS A 123 10.178 -4.531 -10.821 1.00 0.00 H new ATOM 0 HZ2 LYS A 123 9.014 -3.983 -11.929 1.00 0.00 H new ATOM 0 HZ3 LYS A 123 10.567 -3.296 -11.920 1.00 0.00 H new ATOM 1946 N GLU A 124 6.049 3.645 -10.536 1.00 0.00 N ATOM 1947 CA GLU A 124 5.250 4.585 -11.315 1.00 0.00 C ATOM 1948 C GLU A 124 6.139 5.449 -12.204 1.00 0.00 C ATOM 1949 O GLU A 124 7.110 6.057 -11.751 1.00 0.00 O ATOM 1950 CB GLU A 124 4.419 5.474 -10.387 1.00 0.00 C ATOM 1951 CG GLU A 124 3.025 5.769 -10.914 1.00 0.00 C ATOM 1952 CD GLU A 124 2.364 6.929 -10.196 1.00 0.00 C ATOM 1953 OE1 GLU A 124 3.044 7.951 -9.969 1.00 0.00 O ATOM 1954 OE2 GLU A 124 1.166 6.815 -9.861 1.00 0.00 O ATOM 0 H GLU A 124 5.669 3.431 -9.614 1.00 0.00 H new ATOM 0 HA GLU A 124 4.578 4.010 -11.952 1.00 0.00 H new ATOM 0 HB2 GLU A 124 4.335 4.991 -9.414 1.00 0.00 H new ATOM 0 HB3 GLU A 124 4.946 6.415 -10.231 1.00 0.00 H new ATOM 0 HG2 GLU A 124 3.083 5.991 -11.979 1.00 0.00 H new ATOM 0 HG3 GLU A 124 2.404 4.879 -10.807 1.00 0.00 H new ATOM 1961 N PRO A 125 5.803 5.505 -13.501 1.00 0.00 N ATOM 1962 CA PRO A 125 6.557 6.292 -14.481 1.00 0.00 C ATOM 1963 C PRO A 125 6.391 7.793 -14.272 1.00 0.00 C ATOM 1964 O PRO A 125 5.353 8.251 -13.796 1.00 0.00 O ATOM 1965 CB PRO A 125 5.949 5.868 -15.820 1.00 0.00 C ATOM 1966 CG PRO A 125 4.571 5.414 -15.483 1.00 0.00 C ATOM 1967 CD PRO A 125 4.659 4.806 -14.110 1.00 0.00 C ATOM 0 HA PRO A 125 7.630 6.113 -14.408 1.00 0.00 H new ATOM 0 HB2 PRO A 125 5.931 6.697 -16.527 1.00 0.00 H new ATOM 0 HB3 PRO A 125 6.528 5.068 -16.282 1.00 0.00 H new ATOM 0 HG2 PRO A 125 3.871 6.249 -15.496 1.00 0.00 H new ATOM 0 HG3 PRO A 125 4.211 4.686 -16.210 1.00 0.00 H new ATOM 0 HD2 PRO A 125 3.743 4.963 -13.541 1.00 0.00 H new ATOM 0 HD3 PRO A 125 4.824 3.730 -14.157 1.00 0.00 H new