USER MOD reduce.3.24.130724 H: found=0, std=0, add=772, rem=0, adj=23 USER MOD reduce.3.24.130724 removed 770 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 117 TYR OH : rot -68:sc= 0.385 USER MOD Set 1.2: A 121 GLN : amide:sc= 0.368 K(o=0.75,f=0) USER MOD Set 2.1: A 33 CYS SG : rot -92:sc= 0.152 USER MOD Set 2.2: A 59 CYS SG : rot -144:sc= -0.191 USER MOD Set 2.3: A 101 HIS : no HE2:sc= -0.765 K(o=-4.2,f=-10!) USER MOD Set 2.4: A 102 CYS SG : rot 10:sc= -3.36 USER MOD Set 3.1: A 61 SER OG : rot -140:sc= 0 USER MOD Set 3.2: A 99 LYS NZ :NH3+ 168:sc=-0.00924 (180deg=-0.132) USER MOD Set 4.1: A 37 MET CE :methyl 143:sc= -1.55 (180deg=-3.34!) USER MOD Set 4.2: A 56 THR OG1 : rot -123:sc= -0.165 USER MOD Set 4.3: A 66 SER OG : rot 81:sc= 0.0717 USER MOD Set 5.1: A 25 THR OG1 : rot 180:sc= 0 USER MOD Set 5.2: A 40 GLN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 22 ASN : amide:sc= -6.32! C(o=-6.3!,f=-17!) USER MOD Single : A 38 LYS NZ :NH3+ -148:sc= -0.396 (180deg=-1.55!) USER MOD Single : A 42 GLN : amide:sc= 0 K(o=0,f=-3.1!) USER MOD Single : A 46 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 48 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 55 LYS NZ :NH3+ -126:sc= -0.0341 (180deg=-0.882) USER MOD Single : A 65 SER OG : rot 180:sc= 0 USER MOD Single : A 67 SER OG : rot 180:sc= 0 USER MOD Single : A 70 THR OG1 : rot -160:sc= -0.105 USER MOD Single : A 74 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 77 THR OG1 : rot 180:sc= -1.01 USER MOD Single : A 83 THR OG1 : rot -87:sc= 1.14 USER MOD Single : A 85 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 86 ASN : amide:sc= -1.39 X(o=-1.4,f=-0.89) USER MOD Single : A 87 THR OG1 : rot 180:sc= 0 USER MOD Single : A 91 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 94 CYS SG : rot -0:sc= 0.941 USER MOD Single : A 103 SER OG : rot -57:sc= 0.79 USER MOD Single : A 104 MET CE :methyl -120:sc= -0.0326 (180deg=-0.731) USER MOD Single : A 111 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 118 LYS NZ :NH3+ -176:sc= 0 (180deg=-0.0245) USER MOD Single : A 120 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD ----------------------------------------------------------------- ATOM 281 N ASN A 22 -9.085 -13.094 -2.609 1.00 0.00 N ATOM 282 CA ASN A 22 -9.568 -12.194 -1.567 1.00 0.00 C ATOM 283 C ASN A 22 -8.540 -11.108 -1.267 1.00 0.00 C ATOM 284 O ASN A 22 -8.895 -9.962 -0.992 1.00 0.00 O ATOM 285 CB ASN A 22 -9.884 -12.980 -0.293 1.00 0.00 C ATOM 286 CG ASN A 22 -8.691 -13.073 0.639 1.00 0.00 C ATOM 287 OD1 ASN A 22 -8.127 -12.058 1.048 1.00 0.00 O ATOM 288 ND2 ASN A 22 -8.300 -14.296 0.979 1.00 0.00 N ATOM 0 HA ASN A 22 -10.479 -11.716 -1.927 1.00 0.00 H new ATOM 0 HB2 ASN A 22 -10.713 -12.503 0.229 1.00 0.00 H new ATOM 0 HB3 ASN A 22 -10.212 -13.984 -0.561 1.00 0.00 H new ATOM 0 HD21 ASN A 22 -7.503 -14.422 1.603 1.00 0.00 H new ATOM 0 HD22 ASN A 22 -8.797 -15.110 0.616 1.00 0.00 H new ATOM 295 N VAL A 23 -7.264 -11.476 -1.323 1.00 0.00 N ATOM 296 CA VAL A 23 -6.184 -10.533 -1.059 1.00 0.00 C ATOM 297 C VAL A 23 -5.456 -10.158 -2.345 1.00 0.00 C ATOM 298 O VAL A 23 -4.872 -11.010 -3.012 1.00 0.00 O ATOM 299 CB VAL A 23 -5.167 -11.111 -0.057 1.00 0.00 C ATOM 300 CG1 VAL A 23 -4.945 -12.593 -0.315 1.00 0.00 C ATOM 301 CG2 VAL A 23 -3.854 -10.346 -0.130 1.00 0.00 C ATOM 0 H VAL A 23 -6.953 -12.421 -1.549 1.00 0.00 H new ATOM 0 HA VAL A 23 -6.640 -9.641 -0.629 1.00 0.00 H new ATOM 0 HB VAL A 23 -5.571 -10.999 0.949 1.00 0.00 H new ATOM 0 HG11 VAL A 23 -4.223 -12.983 0.403 1.00 0.00 H new ATOM 0 HG12 VAL A 23 -5.889 -13.127 -0.207 1.00 0.00 H new ATOM 0 HG13 VAL A 23 -4.563 -12.733 -1.326 1.00 0.00 H new ATOM 0 HG21 VAL A 23 -3.147 -10.768 0.585 1.00 0.00 H new ATOM 0 HG22 VAL A 23 -3.443 -10.424 -1.136 1.00 0.00 H new ATOM 0 HG23 VAL A 23 -4.030 -9.297 0.110 1.00 0.00 H new ATOM 311 N GLY A 24 -5.496 -8.873 -2.688 1.00 0.00 N ATOM 312 CA GLY A 24 -4.836 -8.406 -3.893 1.00 0.00 C ATOM 313 C GLY A 24 -3.350 -8.185 -3.692 1.00 0.00 C ATOM 314 O GLY A 24 -2.849 -8.257 -2.569 1.00 0.00 O ATOM 0 H GLY A 24 -5.974 -8.148 -2.153 1.00 0.00 H new ATOM 0 HA2 GLY A 24 -4.987 -9.133 -4.691 1.00 0.00 H new ATOM 0 HA3 GLY A 24 -5.298 -7.474 -4.219 1.00 0.00 H new ATOM 318 N THR A 25 -2.639 -7.917 -4.783 1.00 0.00 N ATOM 319 CA THR A 25 -1.201 -7.688 -4.722 1.00 0.00 C ATOM 320 C THR A 25 -0.795 -6.508 -5.598 1.00 0.00 C ATOM 321 O THR A 25 -0.830 -6.593 -6.825 1.00 0.00 O ATOM 322 CB THR A 25 -0.414 -8.936 -5.164 1.00 0.00 C ATOM 323 OG1 THR A 25 -0.889 -10.089 -4.460 1.00 0.00 O ATOM 324 CG2 THR A 25 1.074 -8.756 -4.907 1.00 0.00 C ATOM 0 H THR A 25 -3.036 -7.853 -5.720 1.00 0.00 H new ATOM 0 HA THR A 25 -0.960 -7.465 -3.683 1.00 0.00 H new ATOM 0 HB THR A 25 -0.567 -9.075 -6.234 1.00 0.00 H new ATOM 0 HG1 THR A 25 -0.385 -10.879 -4.747 1.00 0.00 H new ATOM 0 HG21 THR A 25 1.609 -9.650 -5.227 1.00 0.00 H new ATOM 0 HG22 THR A 25 1.438 -7.895 -5.467 1.00 0.00 H new ATOM 0 HG23 THR A 25 1.242 -8.594 -3.842 1.00 0.00 H new ATOM 332 N GLY A 26 -0.408 -5.408 -4.960 1.00 0.00 N ATOM 333 CA GLY A 26 0.000 -4.227 -5.697 1.00 0.00 C ATOM 334 C GLY A 26 1.472 -3.910 -5.516 1.00 0.00 C ATOM 335 O GLY A 26 1.894 -3.481 -4.442 1.00 0.00 O ATOM 0 H GLY A 26 -0.370 -5.314 -3.945 1.00 0.00 H new ATOM 0 HA2 GLY A 26 -0.209 -4.373 -6.757 1.00 0.00 H new ATOM 0 HA3 GLY A 26 -0.595 -3.375 -5.369 1.00 0.00 H new ATOM 339 N LEU A 27 2.255 -4.124 -6.568 1.00 0.00 N ATOM 340 CA LEU A 27 3.688 -3.860 -6.520 1.00 0.00 C ATOM 341 C LEU A 27 4.062 -2.710 -7.451 1.00 0.00 C ATOM 342 O LEU A 27 3.900 -2.805 -8.668 1.00 0.00 O ATOM 343 CB LEU A 27 4.472 -5.116 -6.904 1.00 0.00 C ATOM 344 CG LEU A 27 5.982 -4.943 -7.066 1.00 0.00 C ATOM 345 CD1 LEU A 27 6.598 -4.401 -5.786 1.00 0.00 C ATOM 346 CD2 LEU A 27 6.632 -6.262 -7.456 1.00 0.00 C ATOM 0 H LEU A 27 1.921 -4.479 -7.464 1.00 0.00 H new ATOM 0 HA LEU A 27 3.945 -3.576 -5.500 1.00 0.00 H new ATOM 0 HB2 LEU A 27 4.293 -5.877 -6.145 1.00 0.00 H new ATOM 0 HB3 LEU A 27 4.068 -5.499 -7.841 1.00 0.00 H new ATOM 0 HG LEU A 27 6.162 -4.223 -7.864 1.00 0.00 H new ATOM 0 HD11 LEU A 27 7.673 -4.285 -5.921 1.00 0.00 H new ATOM 0 HD12 LEU A 27 6.155 -3.433 -5.550 1.00 0.00 H new ATOM 0 HD13 LEU A 27 6.408 -5.096 -4.968 1.00 0.00 H new ATOM 0 HD21 LEU A 27 7.707 -6.119 -7.567 1.00 0.00 H new ATOM 0 HD22 LEU A 27 6.443 -7.004 -6.681 1.00 0.00 H new ATOM 0 HD23 LEU A 27 6.213 -6.609 -8.400 1.00 0.00 H new ATOM 358 N VAL A 28 4.564 -1.625 -6.871 1.00 0.00 N ATOM 359 CA VAL A 28 4.963 -0.458 -7.648 1.00 0.00 C ATOM 360 C VAL A 28 6.309 0.082 -7.177 1.00 0.00 C ATOM 361 O VAL A 28 6.434 0.575 -6.056 1.00 0.00 O ATOM 362 CB VAL A 28 3.912 0.664 -7.557 1.00 0.00 C ATOM 363 CG1 VAL A 28 2.598 0.217 -8.178 1.00 0.00 C ATOM 364 CG2 VAL A 28 3.711 1.089 -6.110 1.00 0.00 C ATOM 0 H VAL A 28 4.704 -1.530 -5.865 1.00 0.00 H new ATOM 0 HA VAL A 28 5.048 -0.783 -8.685 1.00 0.00 H new ATOM 0 HB VAL A 28 4.276 1.525 -8.117 1.00 0.00 H new ATOM 0 HG11 VAL A 28 1.868 1.023 -8.104 1.00 0.00 H new ATOM 0 HG12 VAL A 28 2.758 -0.033 -9.227 1.00 0.00 H new ATOM 0 HG13 VAL A 28 2.225 -0.660 -7.649 1.00 0.00 H new ATOM 0 HG21 VAL A 28 2.965 1.883 -6.064 1.00 0.00 H new ATOM 0 HG22 VAL A 28 3.369 0.236 -5.524 1.00 0.00 H new ATOM 0 HG23 VAL A 28 4.654 1.454 -5.704 1.00 0.00 H new ATOM 374 N GLY A 29 7.315 -0.014 -8.041 1.00 0.00 N ATOM 375 CA GLY A 29 8.639 0.469 -7.695 1.00 0.00 C ATOM 376 C GLY A 29 9.033 1.699 -8.489 1.00 0.00 C ATOM 377 O GLY A 29 8.288 2.149 -9.359 1.00 0.00 O ATOM 0 H GLY A 29 7.237 -0.418 -8.974 1.00 0.00 H new ATOM 0 HA2 GLY A 29 8.671 0.702 -6.631 1.00 0.00 H new ATOM 0 HA3 GLY A 29 9.368 -0.322 -7.870 1.00 0.00 H new ATOM 381 N ALA A 30 10.207 2.245 -8.187 1.00 0.00 N ATOM 382 CA ALA A 30 10.698 3.430 -8.879 1.00 0.00 C ATOM 383 C ALA A 30 11.797 3.069 -9.873 1.00 0.00 C ATOM 384 O ALA A 30 12.750 2.359 -9.551 1.00 0.00 O ATOM 385 CB ALA A 30 11.207 4.454 -7.876 1.00 0.00 C ATOM 0 H ALA A 30 10.835 1.885 -7.468 1.00 0.00 H new ATOM 0 HA ALA A 30 9.868 3.865 -9.436 1.00 0.00 H new ATOM 0 HB1 ALA A 30 11.571 5.334 -8.407 1.00 0.00 H new ATOM 0 HB2 ALA A 30 10.396 4.743 -7.208 1.00 0.00 H new ATOM 0 HB3 ALA A 30 12.020 4.020 -7.294 1.00 0.00 H new ATOM 391 N PRO A 31 11.663 3.567 -11.111 1.00 0.00 N ATOM 392 CA PRO A 31 12.636 3.310 -12.177 1.00 0.00 C ATOM 393 C PRO A 31 13.966 4.015 -11.931 1.00 0.00 C ATOM 394 O PRO A 31 15.032 3.430 -12.118 1.00 0.00 O ATOM 395 CB PRO A 31 11.953 3.877 -13.425 1.00 0.00 C ATOM 396 CG PRO A 31 11.020 4.916 -12.906 1.00 0.00 C ATOM 397 CD PRO A 31 10.553 4.421 -11.565 1.00 0.00 C ATOM 0 HA PRO A 31 12.886 2.252 -12.254 1.00 0.00 H new ATOM 0 HB2 PRO A 31 12.680 4.306 -14.114 1.00 0.00 H new ATOM 0 HB3 PRO A 31 11.417 3.100 -13.971 1.00 0.00 H new ATOM 0 HG2 PRO A 31 11.521 5.879 -12.813 1.00 0.00 H new ATOM 0 HG3 PRO A 31 10.179 5.059 -13.584 1.00 0.00 H new ATOM 0 HD2 PRO A 31 10.371 5.244 -10.874 1.00 0.00 H new ATOM 0 HD3 PRO A 31 9.622 3.860 -11.646 1.00 0.00 H new ATOM 405 N ALA A 32 13.894 5.273 -11.511 1.00 0.00 N ATOM 406 CA ALA A 32 15.093 6.056 -11.237 1.00 0.00 C ATOM 407 C ALA A 32 15.712 5.663 -9.900 1.00 0.00 C ATOM 408 O ALA A 32 16.801 5.090 -9.853 1.00 0.00 O ATOM 409 CB ALA A 32 14.768 7.543 -11.254 1.00 0.00 C ATOM 0 H ALA A 32 13.019 5.772 -11.353 1.00 0.00 H new ATOM 0 HA ALA A 32 15.821 5.846 -12.020 1.00 0.00 H new ATOM 0 HB1 ALA A 32 15.672 8.115 -11.048 1.00 0.00 H new ATOM 0 HB2 ALA A 32 14.379 7.819 -12.234 1.00 0.00 H new ATOM 0 HB3 ALA A 32 14.019 7.761 -10.492 1.00 0.00 H new ATOM 415 N CYS A 33 15.012 5.975 -8.815 1.00 0.00 N ATOM 416 CA CYS A 33 15.493 5.655 -7.476 1.00 0.00 C ATOM 417 C CYS A 33 15.765 4.160 -7.339 1.00 0.00 C ATOM 418 O CYS A 33 16.676 3.747 -6.622 1.00 0.00 O ATOM 419 CB CYS A 33 14.472 6.097 -6.426 1.00 0.00 C ATOM 420 SG CYS A 33 15.149 6.226 -4.739 1.00 0.00 S ATOM 0 H CYS A 33 14.109 6.449 -8.836 1.00 0.00 H new ATOM 0 HA CYS A 33 16.427 6.193 -7.314 1.00 0.00 H new ATOM 0 HB2 CYS A 33 14.063 7.065 -6.717 1.00 0.00 H new ATOM 0 HB3 CYS A 33 13.643 5.389 -6.420 1.00 0.00 H new ATOM 0 HG CYS A 33 14.980 5.097 -4.116 1.00 0.00 H new ATOM 425 N GLY A 34 14.968 3.352 -8.031 1.00 0.00 N ATOM 426 CA GLY A 34 15.138 1.912 -7.973 1.00 0.00 C ATOM 427 C GLY A 34 14.632 1.320 -6.673 1.00 0.00 C ATOM 428 O GLY A 34 15.411 0.798 -5.876 1.00 0.00 O ATOM 0 H GLY A 34 14.207 3.669 -8.631 1.00 0.00 H new ATOM 0 HA2 GLY A 34 14.609 1.453 -8.808 1.00 0.00 H new ATOM 0 HA3 GLY A 34 16.194 1.669 -8.093 1.00 0.00 H new ATOM 432 N ASP A 35 13.324 1.403 -6.457 1.00 0.00 N ATOM 433 CA ASP A 35 12.714 0.871 -5.244 1.00 0.00 C ATOM 434 C ASP A 35 11.679 -0.197 -5.579 1.00 0.00 C ATOM 435 O ASP A 35 11.220 -0.297 -6.717 1.00 0.00 O ATOM 436 CB ASP A 35 12.061 1.997 -4.440 1.00 0.00 C ATOM 437 CG ASP A 35 12.871 3.279 -4.476 1.00 0.00 C ATOM 438 OD1 ASP A 35 14.103 3.198 -4.665 1.00 0.00 O ATOM 439 OD2 ASP A 35 12.272 4.363 -4.317 1.00 0.00 O ATOM 0 H ASP A 35 12.666 1.834 -7.106 1.00 0.00 H new ATOM 0 HA ASP A 35 13.500 0.414 -4.643 1.00 0.00 H new ATOM 0 HB2 ASP A 35 11.063 2.190 -4.834 1.00 0.00 H new ATOM 0 HB3 ASP A 35 11.938 1.677 -3.405 1.00 0.00 H new ATOM 444 N VAL A 36 11.314 -0.996 -4.581 1.00 0.00 N ATOM 445 CA VAL A 36 10.333 -2.057 -4.769 1.00 0.00 C ATOM 446 C VAL A 36 9.309 -2.066 -3.640 1.00 0.00 C ATOM 447 O VAL A 36 9.553 -2.626 -2.572 1.00 0.00 O ATOM 448 CB VAL A 36 11.009 -3.439 -4.845 1.00 0.00 C ATOM 449 CG1 VAL A 36 9.966 -4.537 -4.992 1.00 0.00 C ATOM 450 CG2 VAL A 36 12.005 -3.482 -5.995 1.00 0.00 C ATOM 0 H VAL A 36 11.684 -0.928 -3.633 1.00 0.00 H new ATOM 0 HA VAL A 36 9.826 -1.856 -5.713 1.00 0.00 H new ATOM 0 HB VAL A 36 11.553 -3.609 -3.916 1.00 0.00 H new ATOM 0 HG11 VAL A 36 10.463 -5.506 -5.044 1.00 0.00 H new ATOM 0 HG12 VAL A 36 9.295 -4.519 -4.133 1.00 0.00 H new ATOM 0 HG13 VAL A 36 9.392 -4.374 -5.904 1.00 0.00 H new ATOM 0 HG21 VAL A 36 12.473 -4.465 -6.034 1.00 0.00 H new ATOM 0 HG22 VAL A 36 11.485 -3.290 -6.934 1.00 0.00 H new ATOM 0 HG23 VAL A 36 12.771 -2.721 -5.842 1.00 0.00 H new ATOM 460 N MET A 37 8.162 -1.442 -3.885 1.00 0.00 N ATOM 461 CA MET A 37 7.099 -1.380 -2.888 1.00 0.00 C ATOM 462 C MET A 37 6.047 -2.454 -3.146 1.00 0.00 C ATOM 463 O MET A 37 5.216 -2.321 -4.044 1.00 0.00 O ATOM 464 CB MET A 37 6.444 0.003 -2.895 1.00 0.00 C ATOM 465 CG MET A 37 5.763 0.360 -1.584 1.00 0.00 C ATOM 466 SD MET A 37 4.858 1.917 -1.673 1.00 0.00 S ATOM 467 CE MET A 37 3.587 1.640 -0.441 1.00 0.00 C ATOM 0 H MET A 37 7.944 -0.973 -4.764 1.00 0.00 H new ATOM 0 HA MET A 37 7.543 -1.559 -1.909 1.00 0.00 H new ATOM 0 HB2 MET A 37 7.202 0.754 -3.117 1.00 0.00 H new ATOM 0 HB3 MET A 37 5.710 0.044 -3.699 1.00 0.00 H new ATOM 0 HG2 MET A 37 5.076 -0.440 -1.306 1.00 0.00 H new ATOM 0 HG3 MET A 37 6.513 0.425 -0.795 1.00 0.00 H new ATOM 0 HE1 MET A 37 3.390 2.569 0.094 1.00 0.00 H new ATOM 0 HE2 MET A 37 2.673 1.303 -0.930 1.00 0.00 H new ATOM 0 HE3 MET A 37 3.923 0.879 0.264 1.00 0.00 H new ATOM 477 N LYS A 38 6.090 -3.520 -2.354 1.00 0.00 N ATOM 478 CA LYS A 38 5.141 -4.618 -2.496 1.00 0.00 C ATOM 479 C LYS A 38 4.008 -4.492 -1.483 1.00 0.00 C ATOM 480 O LYS A 38 4.192 -4.754 -0.294 1.00 0.00 O ATOM 481 CB LYS A 38 5.853 -5.961 -2.316 1.00 0.00 C ATOM 482 CG LYS A 38 4.960 -7.162 -2.576 1.00 0.00 C ATOM 483 CD LYS A 38 5.058 -7.626 -4.020 1.00 0.00 C ATOM 484 CE LYS A 38 4.859 -9.130 -4.136 1.00 0.00 C ATOM 485 NZ LYS A 38 5.725 -9.879 -3.184 1.00 0.00 N ATOM 0 H LYS A 38 6.772 -3.647 -1.607 1.00 0.00 H new ATOM 0 HA LYS A 38 4.716 -4.570 -3.498 1.00 0.00 H new ATOM 0 HB2 LYS A 38 6.709 -6.002 -2.990 1.00 0.00 H new ATOM 0 HB3 LYS A 38 6.244 -6.022 -1.300 1.00 0.00 H new ATOM 0 HG2 LYS A 38 5.242 -7.978 -1.911 1.00 0.00 H new ATOM 0 HG3 LYS A 38 3.926 -6.905 -2.344 1.00 0.00 H new ATOM 0 HD2 LYS A 38 4.308 -7.111 -4.621 1.00 0.00 H new ATOM 0 HD3 LYS A 38 6.033 -7.354 -4.425 1.00 0.00 H new ATOM 0 HE2 LYS A 38 3.814 -9.374 -3.945 1.00 0.00 H new ATOM 0 HE3 LYS A 38 5.080 -9.448 -5.155 1.00 0.00 H new ATOM 0 HZ1 LYS A 38 5.991 -10.793 -3.602 1.00 0.00 H new ATOM 0 HZ2 LYS A 38 6.583 -9.326 -2.986 1.00 0.00 H new ATOM 0 HZ3 LYS A 38 5.206 -10.042 -2.297 1.00 0.00 H new ATOM 499 N LEU A 39 2.836 -4.089 -1.961 1.00 0.00 N ATOM 500 CA LEU A 39 1.671 -3.929 -1.098 1.00 0.00 C ATOM 501 C LEU A 39 0.746 -5.138 -1.201 1.00 0.00 C ATOM 502 O LEU A 39 0.664 -5.780 -2.247 1.00 0.00 O ATOM 503 CB LEU A 39 0.908 -2.656 -1.468 1.00 0.00 C ATOM 504 CG LEU A 39 0.036 -2.053 -0.366 1.00 0.00 C ATOM 505 CD1 LEU A 39 0.896 -1.344 0.668 1.00 0.00 C ATOM 506 CD2 LEU A 39 -0.986 -1.094 -0.960 1.00 0.00 C ATOM 0 H LEU A 39 2.667 -3.867 -2.942 1.00 0.00 H new ATOM 0 HA LEU A 39 2.021 -3.849 -0.069 1.00 0.00 H new ATOM 0 HB2 LEU A 39 1.629 -1.903 -1.786 1.00 0.00 H new ATOM 0 HB3 LEU A 39 0.274 -2.873 -2.328 1.00 0.00 H new ATOM 0 HG LEU A 39 -0.499 -2.862 0.131 1.00 0.00 H new ATOM 0 HD11 LEU A 39 0.258 -0.921 1.444 1.00 0.00 H new ATOM 0 HD12 LEU A 39 1.588 -2.057 1.116 1.00 0.00 H new ATOM 0 HD13 LEU A 39 1.459 -0.545 0.186 1.00 0.00 H new ATOM 0 HD21 LEU A 39 -1.598 -0.674 -0.162 1.00 0.00 H new ATOM 0 HD22 LEU A 39 -0.469 -0.289 -1.482 1.00 0.00 H new ATOM 0 HD23 LEU A 39 -1.624 -1.631 -1.662 1.00 0.00 H new ATOM 518 N GLN A 40 0.052 -5.441 -0.109 1.00 0.00 N ATOM 519 CA GLN A 40 -0.868 -6.571 -0.078 1.00 0.00 C ATOM 520 C GLN A 40 -1.934 -6.377 0.995 1.00 0.00 C ATOM 521 O GLN A 40 -1.619 -6.220 2.175 1.00 0.00 O ATOM 522 CB GLN A 40 -0.103 -7.871 0.177 1.00 0.00 C ATOM 523 CG GLN A 40 0.404 -8.537 -1.093 1.00 0.00 C ATOM 524 CD GLN A 40 1.013 -9.901 -0.833 1.00 0.00 C ATOM 525 OE1 GLN A 40 2.078 -10.013 -0.226 1.00 0.00 O ATOM 526 NE2 GLN A 40 0.337 -10.948 -1.292 1.00 0.00 N ATOM 0 H GLN A 40 0.109 -4.920 0.766 1.00 0.00 H new ATOM 0 HA GLN A 40 -1.362 -6.631 -1.048 1.00 0.00 H new ATOM 0 HB2 GLN A 40 0.744 -7.662 0.831 1.00 0.00 H new ATOM 0 HB3 GLN A 40 -0.752 -8.567 0.708 1.00 0.00 H new ATOM 0 HG2 GLN A 40 -0.420 -8.640 -1.799 1.00 0.00 H new ATOM 0 HG3 GLN A 40 1.148 -7.895 -1.563 1.00 0.00 H new ATOM 0 HE21 GLN A 40 -0.542 -10.809 -1.790 1.00 0.00 H new ATOM 0 HE22 GLN A 40 0.697 -11.891 -1.146 1.00 0.00 H new ATOM 535 N ILE A 41 -3.196 -6.388 0.578 1.00 0.00 N ATOM 536 CA ILE A 41 -4.308 -6.213 1.504 1.00 0.00 C ATOM 537 C ILE A 41 -5.325 -7.340 1.360 1.00 0.00 C ATOM 538 O ILE A 41 -5.700 -7.711 0.248 1.00 0.00 O ATOM 539 CB ILE A 41 -5.017 -4.864 1.284 1.00 0.00 C ATOM 540 CG1 ILE A 41 -5.711 -4.844 -0.080 1.00 0.00 C ATOM 541 CG2 ILE A 41 -4.022 -3.718 1.395 1.00 0.00 C ATOM 542 CD1 ILE A 41 -7.136 -5.349 -0.040 1.00 0.00 C ATOM 0 H ILE A 41 -3.474 -6.516 -0.395 1.00 0.00 H new ATOM 0 HA ILE A 41 -3.888 -6.233 2.510 1.00 0.00 H new ATOM 0 HB ILE A 41 -5.774 -4.738 2.058 1.00 0.00 H new ATOM 0 HG12 ILE A 41 -5.706 -3.825 -0.466 1.00 0.00 H new ATOM 0 HG13 ILE A 41 -5.138 -5.453 -0.779 1.00 0.00 H new ATOM 0 HG21 ILE A 41 -4.538 -2.771 1.237 1.00 0.00 H new ATOM 0 HG22 ILE A 41 -3.570 -3.724 2.387 1.00 0.00 H new ATOM 0 HG23 ILE A 41 -3.244 -3.837 0.641 1.00 0.00 H new ATOM 0 HD11 ILE A 41 -7.565 -5.306 -1.041 1.00 0.00 H new ATOM 0 HD12 ILE A 41 -7.147 -6.379 0.316 1.00 0.00 H new ATOM 0 HD13 ILE A 41 -7.724 -4.726 0.634 1.00 0.00 H new ATOM 554 N GLN A 42 -5.770 -7.877 2.491 1.00 0.00 N ATOM 555 CA GLN A 42 -6.745 -8.961 2.490 1.00 0.00 C ATOM 556 C GLN A 42 -8.159 -8.421 2.683 1.00 0.00 C ATOM 557 O GLN A 42 -8.465 -7.805 3.705 1.00 0.00 O ATOM 558 CB GLN A 42 -6.418 -9.971 3.590 1.00 0.00 C ATOM 559 CG GLN A 42 -7.037 -11.341 3.362 1.00 0.00 C ATOM 560 CD GLN A 42 -6.990 -12.216 4.599 1.00 0.00 C ATOM 561 OE1 GLN A 42 -7.372 -11.790 5.690 1.00 0.00 O ATOM 562 NE2 GLN A 42 -6.520 -13.447 4.436 1.00 0.00 N ATOM 0 H GLN A 42 -5.471 -7.579 3.420 1.00 0.00 H new ATOM 0 HA GLN A 42 -6.695 -9.460 1.522 1.00 0.00 H new ATOM 0 HB2 GLN A 42 -5.336 -10.078 3.663 1.00 0.00 H new ATOM 0 HB3 GLN A 42 -6.765 -9.579 4.546 1.00 0.00 H new ATOM 0 HG2 GLN A 42 -8.073 -11.219 3.047 1.00 0.00 H new ATOM 0 HG3 GLN A 42 -6.513 -11.841 2.548 1.00 0.00 H new ATOM 0 HE21 GLN A 42 -6.214 -13.758 3.514 1.00 0.00 H new ATOM 0 HE22 GLN A 42 -6.465 -14.081 5.233 1.00 0.00 H new ATOM 571 N VAL A 43 -9.017 -8.655 1.696 1.00 0.00 N ATOM 572 CA VAL A 43 -10.398 -8.193 1.757 1.00 0.00 C ATOM 573 C VAL A 43 -11.334 -9.315 2.191 1.00 0.00 C ATOM 574 O VAL A 43 -11.207 -10.453 1.738 1.00 0.00 O ATOM 575 CB VAL A 43 -10.868 -7.644 0.397 1.00 0.00 C ATOM 576 CG1 VAL A 43 -12.315 -7.181 0.478 1.00 0.00 C ATOM 577 CG2 VAL A 43 -9.962 -6.512 -0.062 1.00 0.00 C ATOM 0 H VAL A 43 -8.780 -9.162 0.844 1.00 0.00 H new ATOM 0 HA VAL A 43 -10.431 -7.391 2.494 1.00 0.00 H new ATOM 0 HB VAL A 43 -10.810 -8.446 -0.338 1.00 0.00 H new ATOM 0 HG11 VAL A 43 -12.629 -6.796 -0.492 1.00 0.00 H new ATOM 0 HG12 VAL A 43 -12.951 -8.021 0.758 1.00 0.00 H new ATOM 0 HG13 VAL A 43 -12.404 -6.393 1.226 1.00 0.00 H new ATOM 0 HG21 VAL A 43 -10.309 -6.136 -1.025 1.00 0.00 H new ATOM 0 HG22 VAL A 43 -9.986 -5.707 0.672 1.00 0.00 H new ATOM 0 HG23 VAL A 43 -8.941 -6.881 -0.163 1.00 0.00 H new ATOM 587 N ASP A 44 -12.275 -8.987 3.070 1.00 0.00 N ATOM 588 CA ASP A 44 -13.235 -9.967 3.565 1.00 0.00 C ATOM 589 C ASP A 44 -14.510 -9.949 2.728 1.00 0.00 C ATOM 590 O ASP A 44 -14.593 -9.244 1.723 1.00 0.00 O ATOM 591 CB ASP A 44 -13.569 -9.691 5.031 1.00 0.00 C ATOM 592 CG ASP A 44 -13.958 -10.948 5.784 1.00 0.00 C ATOM 593 OD1 ASP A 44 -13.147 -11.898 5.812 1.00 0.00 O ATOM 594 OD2 ASP A 44 -15.073 -10.982 6.345 1.00 0.00 O ATOM 0 H ASP A 44 -12.393 -8.050 3.454 1.00 0.00 H new ATOM 0 HA ASP A 44 -12.782 -10.955 3.484 1.00 0.00 H new ATOM 0 HB2 ASP A 44 -12.708 -9.232 5.516 1.00 0.00 H new ATOM 0 HB3 ASP A 44 -14.386 -8.971 5.085 1.00 0.00 H new ATOM 599 N GLU A 45 -15.499 -10.731 3.149 1.00 0.00 N ATOM 600 CA GLU A 45 -16.769 -10.805 2.436 1.00 0.00 C ATOM 601 C GLU A 45 -17.443 -9.437 2.380 1.00 0.00 C ATOM 602 O GLU A 45 -18.041 -9.068 1.369 1.00 0.00 O ATOM 603 CB GLU A 45 -17.699 -11.816 3.110 1.00 0.00 C ATOM 604 CG GLU A 45 -17.986 -11.502 4.568 1.00 0.00 C ATOM 605 CD GLU A 45 -18.470 -12.713 5.342 1.00 0.00 C ATOM 606 OE1 GLU A 45 -19.250 -13.506 4.776 1.00 0.00 O ATOM 607 OE2 GLU A 45 -18.068 -12.867 6.514 1.00 0.00 O ATOM 0 H GLU A 45 -15.446 -11.321 3.979 1.00 0.00 H new ATOM 0 HA GLU A 45 -16.565 -11.132 1.416 1.00 0.00 H new ATOM 0 HB2 GLU A 45 -18.641 -11.851 2.563 1.00 0.00 H new ATOM 0 HB3 GLU A 45 -17.253 -12.808 3.042 1.00 0.00 H new ATOM 0 HG2 GLU A 45 -17.082 -11.114 5.037 1.00 0.00 H new ATOM 0 HG3 GLU A 45 -18.738 -10.715 4.625 1.00 0.00 H new ATOM 614 N LYS A 46 -17.341 -8.689 3.473 1.00 0.00 N ATOM 615 CA LYS A 46 -17.939 -7.361 3.550 1.00 0.00 C ATOM 616 C LYS A 46 -17.220 -6.386 2.624 1.00 0.00 C ATOM 617 O LYS A 46 -17.780 -5.367 2.224 1.00 0.00 O ATOM 618 CB LYS A 46 -17.893 -6.842 4.989 1.00 0.00 C ATOM 619 CG LYS A 46 -18.614 -7.738 5.982 1.00 0.00 C ATOM 620 CD LYS A 46 -19.169 -6.941 7.151 1.00 0.00 C ATOM 621 CE LYS A 46 -19.909 -7.836 8.134 1.00 0.00 C ATOM 622 NZ LYS A 46 -19.003 -8.367 9.190 1.00 0.00 N ATOM 0 H LYS A 46 -16.850 -8.980 4.318 1.00 0.00 H new ATOM 0 HA LYS A 46 -18.978 -7.439 3.231 1.00 0.00 H new ATOM 0 HB2 LYS A 46 -16.852 -6.738 5.296 1.00 0.00 H new ATOM 0 HB3 LYS A 46 -18.336 -5.847 5.022 1.00 0.00 H new ATOM 0 HG2 LYS A 46 -19.427 -8.261 5.478 1.00 0.00 H new ATOM 0 HG3 LYS A 46 -17.927 -8.499 6.353 1.00 0.00 H new ATOM 0 HD2 LYS A 46 -18.354 -6.430 7.664 1.00 0.00 H new ATOM 0 HD3 LYS A 46 -19.844 -6.170 6.779 1.00 0.00 H new ATOM 0 HE2 LYS A 46 -20.719 -7.273 8.599 1.00 0.00 H new ATOM 0 HE3 LYS A 46 -20.366 -8.667 7.596 1.00 0.00 H new ATOM 0 HZ1 LYS A 46 -19.544 -8.972 9.840 1.00 0.00 H new ATOM 0 HZ2 LYS A 46 -18.245 -8.925 8.748 1.00 0.00 H new ATOM 0 HZ3 LYS A 46 -18.586 -7.575 9.720 1.00 0.00 H new ATOM 636 N GLY A 47 -15.975 -6.707 2.285 1.00 0.00 N ATOM 637 CA GLY A 47 -15.200 -5.850 1.407 1.00 0.00 C ATOM 638 C GLY A 47 -14.316 -4.885 2.171 1.00 0.00 C ATOM 639 O GLY A 47 -13.878 -3.870 1.630 1.00 0.00 O ATOM 0 H GLY A 47 -15.489 -7.546 2.603 1.00 0.00 H new ATOM 0 HA2 GLY A 47 -14.581 -6.467 0.756 1.00 0.00 H new ATOM 0 HA3 GLY A 47 -15.877 -5.287 0.764 1.00 0.00 H new ATOM 643 N LYS A 48 -14.053 -5.200 3.435 1.00 0.00 N ATOM 644 CA LYS A 48 -13.215 -4.354 4.276 1.00 0.00 C ATOM 645 C LYS A 48 -11.838 -4.979 4.477 1.00 0.00 C ATOM 646 O LYS A 48 -11.719 -6.188 4.682 1.00 0.00 O ATOM 647 CB LYS A 48 -13.886 -4.125 5.633 1.00 0.00 C ATOM 648 CG LYS A 48 -13.181 -3.090 6.493 1.00 0.00 C ATOM 649 CD LYS A 48 -12.124 -3.727 7.379 1.00 0.00 C ATOM 650 CE LYS A 48 -12.749 -4.430 8.574 1.00 0.00 C ATOM 651 NZ LYS A 48 -12.908 -3.512 9.737 1.00 0.00 N ATOM 0 H LYS A 48 -14.409 -6.036 3.899 1.00 0.00 H new ATOM 0 HA LYS A 48 -13.089 -3.395 3.773 1.00 0.00 H new ATOM 0 HB2 LYS A 48 -14.917 -3.809 5.471 1.00 0.00 H new ATOM 0 HB3 LYS A 48 -13.924 -5.070 6.174 1.00 0.00 H new ATOM 0 HG2 LYS A 48 -12.717 -2.340 5.853 1.00 0.00 H new ATOM 0 HG3 LYS A 48 -13.912 -2.572 7.113 1.00 0.00 H new ATOM 0 HD2 LYS A 48 -11.543 -4.443 6.797 1.00 0.00 H new ATOM 0 HD3 LYS A 48 -11.430 -2.962 7.727 1.00 0.00 H new ATOM 0 HE2 LYS A 48 -13.723 -4.830 8.291 1.00 0.00 H new ATOM 0 HE3 LYS A 48 -12.127 -5.278 8.863 1.00 0.00 H new ATOM 0 HZ1 LYS A 48 -13.337 -4.029 10.531 1.00 0.00 H new ATOM 0 HZ2 LYS A 48 -11.976 -3.150 10.023 1.00 0.00 H new ATOM 0 HZ3 LYS A 48 -13.522 -2.716 9.470 1.00 0.00 H new ATOM 665 N ILE A 49 -10.802 -4.149 4.418 1.00 0.00 N ATOM 666 CA ILE A 49 -9.435 -4.621 4.596 1.00 0.00 C ATOM 667 C ILE A 49 -9.182 -5.043 6.040 1.00 0.00 C ATOM 668 O ILE A 49 -9.193 -4.215 6.951 1.00 0.00 O ATOM 669 CB ILE A 49 -8.410 -3.541 4.202 1.00 0.00 C ATOM 670 CG1 ILE A 49 -8.465 -3.281 2.695 1.00 0.00 C ATOM 671 CG2 ILE A 49 -7.010 -3.961 4.622 1.00 0.00 C ATOM 672 CD1 ILE A 49 -8.049 -1.879 2.309 1.00 0.00 C ATOM 0 H ILE A 49 -10.884 -3.147 4.248 1.00 0.00 H new ATOM 0 HA ILE A 49 -9.312 -5.483 3.941 1.00 0.00 H new ATOM 0 HB ILE A 49 -8.661 -2.616 4.721 1.00 0.00 H new ATOM 0 HG12 ILE A 49 -7.818 -3.996 2.187 1.00 0.00 H new ATOM 0 HG13 ILE A 49 -9.480 -3.461 2.340 1.00 0.00 H new ATOM 0 HG21 ILE A 49 -6.297 -3.187 4.337 1.00 0.00 H new ATOM 0 HG22 ILE A 49 -6.981 -4.101 5.703 1.00 0.00 H new ATOM 0 HG23 ILE A 49 -6.747 -4.897 4.128 1.00 0.00 H new ATOM 0 HD11 ILE A 49 -8.112 -1.766 1.227 1.00 0.00 H new ATOM 0 HD12 ILE A 49 -8.711 -1.158 2.789 1.00 0.00 H new ATOM 0 HD13 ILE A 49 -7.024 -1.701 2.633 1.00 0.00 H new ATOM 684 N VAL A 50 -8.954 -6.337 6.242 1.00 0.00 N ATOM 685 CA VAL A 50 -8.695 -6.869 7.574 1.00 0.00 C ATOM 686 C VAL A 50 -7.199 -6.957 7.850 1.00 0.00 C ATOM 687 O VAL A 50 -6.749 -6.727 8.972 1.00 0.00 O ATOM 688 CB VAL A 50 -9.323 -8.264 7.753 1.00 0.00 C ATOM 689 CG1 VAL A 50 -10.840 -8.167 7.788 1.00 0.00 C ATOM 690 CG2 VAL A 50 -8.865 -9.199 6.644 1.00 0.00 C ATOM 0 H VAL A 50 -8.943 -7.036 5.499 1.00 0.00 H new ATOM 0 HA VAL A 50 -9.152 -6.180 8.284 1.00 0.00 H new ATOM 0 HB VAL A 50 -8.988 -8.675 8.705 1.00 0.00 H new ATOM 0 HG11 VAL A 50 -11.265 -9.162 7.915 1.00 0.00 H new ATOM 0 HG12 VAL A 50 -11.145 -7.533 8.621 1.00 0.00 H new ATOM 0 HG13 VAL A 50 -11.199 -7.736 6.853 1.00 0.00 H new ATOM 0 HG21 VAL A 50 -9.318 -10.180 6.785 1.00 0.00 H new ATOM 0 HG22 VAL A 50 -9.169 -8.795 5.679 1.00 0.00 H new ATOM 0 HG23 VAL A 50 -7.779 -9.293 6.672 1.00 0.00 H new ATOM 700 N ASP A 51 -6.432 -7.293 6.818 1.00 0.00 N ATOM 701 CA ASP A 51 -4.984 -7.410 6.948 1.00 0.00 C ATOM 702 C ASP A 51 -4.274 -6.570 5.892 1.00 0.00 C ATOM 703 O ASP A 51 -4.794 -6.362 4.796 1.00 0.00 O ATOM 704 CB ASP A 51 -4.557 -8.874 6.825 1.00 0.00 C ATOM 705 CG ASP A 51 -4.574 -9.596 8.157 1.00 0.00 C ATOM 706 OD1 ASP A 51 -4.031 -9.045 9.137 1.00 0.00 O ATOM 707 OD2 ASP A 51 -5.130 -10.713 8.220 1.00 0.00 O ATOM 0 H ASP A 51 -6.789 -7.489 5.883 1.00 0.00 H new ATOM 0 HA ASP A 51 -4.701 -7.038 7.933 1.00 0.00 H new ATOM 0 HB2 ASP A 51 -5.222 -9.386 6.129 1.00 0.00 H new ATOM 0 HB3 ASP A 51 -3.554 -8.922 6.402 1.00 0.00 H new ATOM 712 N ALA A 52 -3.082 -6.087 6.230 1.00 0.00 N ATOM 713 CA ALA A 52 -2.300 -5.270 5.311 1.00 0.00 C ATOM 714 C ALA A 52 -0.805 -5.469 5.536 1.00 0.00 C ATOM 715 O ALA A 52 -0.344 -5.548 6.674 1.00 0.00 O ATOM 716 CB ALA A 52 -2.668 -3.802 5.466 1.00 0.00 C ATOM 0 H ALA A 52 -2.637 -6.248 7.134 1.00 0.00 H new ATOM 0 HA ALA A 52 -2.533 -5.586 4.294 1.00 0.00 H new ATOM 0 HB1 ALA A 52 -2.076 -3.203 4.773 1.00 0.00 H new ATOM 0 HB2 ALA A 52 -3.727 -3.668 5.248 1.00 0.00 H new ATOM 0 HB3 ALA A 52 -2.464 -3.482 6.488 1.00 0.00 H new ATOM 722 N ARG A 53 -0.053 -5.550 4.443 1.00 0.00 N ATOM 723 CA ARG A 53 1.391 -5.742 4.521 1.00 0.00 C ATOM 724 C ARG A 53 2.120 -4.759 3.610 1.00 0.00 C ATOM 725 O ARG A 53 1.658 -4.456 2.510 1.00 0.00 O ATOM 726 CB ARG A 53 1.757 -7.177 4.139 1.00 0.00 C ATOM 727 CG ARG A 53 0.954 -8.230 4.884 1.00 0.00 C ATOM 728 CD ARG A 53 1.456 -8.409 6.308 1.00 0.00 C ATOM 729 NE ARG A 53 0.783 -9.511 6.992 1.00 0.00 N ATOM 730 CZ ARG A 53 0.678 -9.602 8.313 1.00 0.00 C ATOM 731 NH1 ARG A 53 1.199 -8.662 9.089 1.00 0.00 N ATOM 732 NH2 ARG A 53 0.050 -10.635 8.860 1.00 0.00 N ATOM 0 H ARG A 53 -0.419 -5.486 3.493 1.00 0.00 H new ATOM 0 HA ARG A 53 1.702 -5.557 5.549 1.00 0.00 H new ATOM 0 HB2 ARG A 53 1.606 -7.308 3.067 1.00 0.00 H new ATOM 0 HB3 ARG A 53 2.818 -7.336 4.334 1.00 0.00 H new ATOM 0 HG2 ARG A 53 -0.097 -7.943 4.901 1.00 0.00 H new ATOM 0 HG3 ARG A 53 1.016 -9.180 4.353 1.00 0.00 H new ATOM 0 HD2 ARG A 53 2.530 -8.594 6.293 1.00 0.00 H new ATOM 0 HD3 ARG A 53 1.299 -7.486 6.866 1.00 0.00 H new ATOM 0 HE ARG A 53 0.371 -10.251 6.424 1.00 0.00 H new ATOM 0 HH11 ARG A 53 1.682 -7.866 8.672 1.00 0.00 H new ATOM 0 HH12 ARG A 53 1.117 -8.734 10.103 1.00 0.00 H new ATOM 0 HH21 ARG A 53 -0.353 -11.360 8.266 1.00 0.00 H new ATOM 0 HH22 ARG A 53 -0.030 -10.704 9.874 1.00 0.00 H new ATOM 746 N PHE A 54 3.262 -4.264 4.076 1.00 0.00 N ATOM 747 CA PHE A 54 4.055 -3.315 3.304 1.00 0.00 C ATOM 748 C PHE A 54 5.512 -3.760 3.226 1.00 0.00 C ATOM 749 O PHE A 54 6.126 -4.096 4.239 1.00 0.00 O ATOM 750 CB PHE A 54 3.968 -1.920 3.928 1.00 0.00 C ATOM 751 CG PHE A 54 5.035 -1.654 4.951 1.00 0.00 C ATOM 752 CD1 PHE A 54 4.843 -2.005 6.278 1.00 0.00 C ATOM 753 CD2 PHE A 54 6.229 -1.052 4.587 1.00 0.00 C ATOM 754 CE1 PHE A 54 5.823 -1.762 7.223 1.00 0.00 C ATOM 755 CE2 PHE A 54 7.212 -0.807 5.527 1.00 0.00 C ATOM 756 CZ PHE A 54 7.008 -1.161 6.847 1.00 0.00 C ATOM 0 H PHE A 54 3.659 -4.504 4.984 1.00 0.00 H new ATOM 0 HA PHE A 54 3.650 -3.279 2.292 1.00 0.00 H new ATOM 0 HB2 PHE A 54 4.039 -1.172 3.138 1.00 0.00 H new ATOM 0 HB3 PHE A 54 2.990 -1.800 4.395 1.00 0.00 H new ATOM 0 HD1 PHE A 54 3.917 -2.474 6.578 1.00 0.00 H new ATOM 0 HD2 PHE A 54 6.393 -0.771 3.557 1.00 0.00 H new ATOM 0 HE1 PHE A 54 5.662 -2.042 8.254 1.00 0.00 H new ATOM 0 HE2 PHE A 54 8.139 -0.339 5.230 1.00 0.00 H new ATOM 0 HZ PHE A 54 7.774 -0.968 7.583 1.00 0.00 H new ATOM 766 N LYS A 55 6.061 -3.759 2.016 1.00 0.00 N ATOM 767 CA LYS A 55 7.446 -4.162 1.803 1.00 0.00 C ATOM 768 C LYS A 55 8.160 -3.184 0.876 1.00 0.00 C ATOM 769 O LYS A 55 7.892 -3.141 -0.325 1.00 0.00 O ATOM 770 CB LYS A 55 7.504 -5.573 1.215 1.00 0.00 C ATOM 771 CG LYS A 55 7.730 -6.657 2.255 1.00 0.00 C ATOM 772 CD LYS A 55 9.028 -6.438 3.015 1.00 0.00 C ATOM 773 CE LYS A 55 9.434 -7.680 3.793 1.00 0.00 C ATOM 774 NZ LYS A 55 9.860 -8.785 2.891 1.00 0.00 N ATOM 0 H LYS A 55 5.567 -3.483 1.167 1.00 0.00 H new ATOM 0 HA LYS A 55 7.952 -4.157 2.768 1.00 0.00 H new ATOM 0 HB2 LYS A 55 6.572 -5.776 0.687 1.00 0.00 H new ATOM 0 HB3 LYS A 55 8.305 -5.617 0.477 1.00 0.00 H new ATOM 0 HG2 LYS A 55 6.895 -6.670 2.955 1.00 0.00 H new ATOM 0 HG3 LYS A 55 7.753 -7.632 1.767 1.00 0.00 H new ATOM 0 HD2 LYS A 55 9.820 -6.170 2.315 1.00 0.00 H new ATOM 0 HD3 LYS A 55 8.912 -5.599 3.701 1.00 0.00 H new ATOM 0 HE2 LYS A 55 10.249 -7.432 4.473 1.00 0.00 H new ATOM 0 HE3 LYS A 55 8.597 -8.014 4.406 1.00 0.00 H new ATOM 0 HZ1 LYS A 55 9.311 -9.641 3.108 1.00 0.00 H new ATOM 0 HZ2 LYS A 55 9.694 -8.509 1.902 1.00 0.00 H new ATOM 0 HZ3 LYS A 55 10.872 -8.977 3.032 1.00 0.00 H new ATOM 788 N THR A 56 9.073 -2.399 1.440 1.00 0.00 N ATOM 789 CA THR A 56 9.826 -1.422 0.664 1.00 0.00 C ATOM 790 C THR A 56 11.304 -1.792 0.599 1.00 0.00 C ATOM 791 O THR A 56 11.884 -2.248 1.585 1.00 0.00 O ATOM 792 CB THR A 56 9.689 -0.007 1.258 1.00 0.00 C ATOM 793 OG1 THR A 56 8.312 0.281 1.525 1.00 0.00 O ATOM 794 CG2 THR A 56 10.255 1.036 0.306 1.00 0.00 C ATOM 0 H THR A 56 9.309 -2.421 2.432 1.00 0.00 H new ATOM 0 HA THR A 56 9.408 -1.428 -0.343 1.00 0.00 H new ATOM 0 HB THR A 56 10.254 0.029 2.189 1.00 0.00 H new ATOM 0 HG1 THR A 56 8.050 1.096 1.048 1.00 0.00 H new ATOM 0 HG21 THR A 56 10.147 2.027 0.746 1.00 0.00 H new ATOM 0 HG22 THR A 56 11.311 0.831 0.127 1.00 0.00 H new ATOM 0 HG23 THR A 56 9.713 0.998 -0.639 1.00 0.00 H new ATOM 802 N PHE A 57 11.908 -1.593 -0.567 1.00 0.00 N ATOM 803 CA PHE A 57 13.319 -1.907 -0.761 1.00 0.00 C ATOM 804 C PHE A 57 14.006 -0.829 -1.594 1.00 0.00 C ATOM 805 O PHE A 57 13.789 -0.728 -2.800 1.00 0.00 O ATOM 806 CB PHE A 57 13.472 -3.268 -1.442 1.00 0.00 C ATOM 807 CG PHE A 57 12.799 -4.388 -0.701 1.00 0.00 C ATOM 808 CD1 PHE A 57 13.463 -5.064 0.311 1.00 0.00 C ATOM 809 CD2 PHE A 57 11.504 -4.766 -1.016 1.00 0.00 C ATOM 810 CE1 PHE A 57 12.847 -6.095 0.995 1.00 0.00 C ATOM 811 CE2 PHE A 57 10.883 -5.796 -0.335 1.00 0.00 C ATOM 812 CZ PHE A 57 11.555 -6.462 0.671 1.00 0.00 C ATOM 0 H PHE A 57 11.443 -1.216 -1.393 1.00 0.00 H new ATOM 0 HA PHE A 57 13.795 -1.944 0.219 1.00 0.00 H new ATOM 0 HB2 PHE A 57 13.059 -3.210 -2.449 1.00 0.00 H new ATOM 0 HB3 PHE A 57 14.533 -3.497 -1.545 1.00 0.00 H new ATOM 0 HD1 PHE A 57 14.473 -4.782 0.568 1.00 0.00 H new ATOM 0 HD2 PHE A 57 10.974 -4.250 -1.803 1.00 0.00 H new ATOM 0 HE1 PHE A 57 13.375 -6.613 1.782 1.00 0.00 H new ATOM 0 HE2 PHE A 57 9.873 -6.080 -0.590 1.00 0.00 H new ATOM 0 HZ PHE A 57 11.072 -7.268 1.203 1.00 0.00 H new ATOM 822 N GLY A 58 14.837 -0.023 -0.939 1.00 0.00 N ATOM 823 CA GLY A 58 15.543 1.037 -1.633 1.00 0.00 C ATOM 824 C GLY A 58 15.861 2.211 -0.729 1.00 0.00 C ATOM 825 O GLY A 58 16.742 2.124 0.127 1.00 0.00 O ATOM 0 H GLY A 58 15.033 -0.086 0.060 1.00 0.00 H new ATOM 0 HA2 GLY A 58 16.470 0.641 -2.048 1.00 0.00 H new ATOM 0 HA3 GLY A 58 14.940 1.382 -2.473 1.00 0.00 H new ATOM 829 N CYS A 59 15.145 3.314 -0.919 1.00 0.00 N ATOM 830 CA CYS A 59 15.356 4.512 -0.115 1.00 0.00 C ATOM 831 C CYS A 59 14.415 4.533 1.087 1.00 0.00 C ATOM 832 O CYS A 59 13.396 3.845 1.103 1.00 0.00 O ATOM 833 CB CYS A 59 15.143 5.766 -0.965 1.00 0.00 C ATOM 834 SG CYS A 59 13.393 6.189 -1.242 1.00 0.00 S ATOM 0 H CYS A 59 14.413 3.403 -1.624 1.00 0.00 H new ATOM 0 HA CYS A 59 16.383 4.498 0.250 1.00 0.00 H new ATOM 0 HB2 CYS A 59 15.637 6.608 -0.481 1.00 0.00 H new ATOM 0 HB3 CYS A 59 15.629 5.624 -1.931 1.00 0.00 H new ATOM 0 HG CYS A 59 13.249 6.680 -2.437 1.00 0.00 H new ATOM 839 N GLY A 60 14.766 5.330 2.092 1.00 0.00 N ATOM 840 CA GLY A 60 13.943 5.428 3.283 1.00 0.00 C ATOM 841 C GLY A 60 12.572 6.006 2.995 1.00 0.00 C ATOM 842 O GLY A 60 11.553 5.368 3.262 1.00 0.00 O ATOM 0 H GLY A 60 15.605 5.909 2.102 1.00 0.00 H new ATOM 0 HA2 GLY A 60 13.831 4.438 3.726 1.00 0.00 H new ATOM 0 HA3 GLY A 60 14.449 6.051 4.020 1.00 0.00 H new ATOM 846 N SER A 61 12.544 7.218 2.451 1.00 0.00 N ATOM 847 CA SER A 61 11.287 7.884 2.132 1.00 0.00 C ATOM 848 C SER A 61 10.241 6.876 1.666 1.00 0.00 C ATOM 849 O SER A 61 9.050 7.036 1.929 1.00 0.00 O ATOM 850 CB SER A 61 11.508 8.944 1.050 1.00 0.00 C ATOM 851 OG SER A 61 12.298 10.014 1.539 1.00 0.00 O ATOM 0 H SER A 61 13.378 7.759 2.222 1.00 0.00 H new ATOM 0 HA SER A 61 10.921 8.369 3.037 1.00 0.00 H new ATOM 0 HB2 SER A 61 11.997 8.491 0.187 1.00 0.00 H new ATOM 0 HB3 SER A 61 10.546 9.325 0.708 1.00 0.00 H new ATOM 0 HG SER A 61 11.947 10.863 1.197 1.00 0.00 H new ATOM 857 N ALA A 62 10.696 5.838 0.972 1.00 0.00 N ATOM 858 CA ALA A 62 9.801 4.803 0.471 1.00 0.00 C ATOM 859 C ALA A 62 9.285 3.926 1.607 1.00 0.00 C ATOM 860 O ALA A 62 8.082 3.692 1.726 1.00 0.00 O ATOM 861 CB ALA A 62 10.509 3.953 -0.574 1.00 0.00 C ATOM 0 H ALA A 62 11.679 5.692 0.744 1.00 0.00 H new ATOM 0 HA ALA A 62 8.945 5.292 0.007 1.00 0.00 H new ATOM 0 HB1 ALA A 62 9.828 3.184 -0.939 1.00 0.00 H new ATOM 0 HB2 ALA A 62 10.823 4.585 -1.405 1.00 0.00 H new ATOM 0 HB3 ALA A 62 11.384 3.481 -0.127 1.00 0.00 H new ATOM 867 N ILE A 63 10.202 3.444 2.439 1.00 0.00 N ATOM 868 CA ILE A 63 9.839 2.593 3.566 1.00 0.00 C ATOM 869 C ILE A 63 8.839 3.291 4.481 1.00 0.00 C ATOM 870 O ILE A 63 7.905 2.668 4.987 1.00 0.00 O ATOM 871 CB ILE A 63 11.077 2.190 4.389 1.00 0.00 C ATOM 872 CG1 ILE A 63 12.072 1.426 3.513 1.00 0.00 C ATOM 873 CG2 ILE A 63 10.665 1.350 5.588 1.00 0.00 C ATOM 874 CD1 ILE A 63 13.496 1.489 4.021 1.00 0.00 C ATOM 0 H ILE A 63 11.202 3.628 2.354 1.00 0.00 H new ATOM 0 HA ILE A 63 9.382 1.695 3.150 1.00 0.00 H new ATOM 0 HB ILE A 63 11.563 3.095 4.754 1.00 0.00 H new ATOM 0 HG12 ILE A 63 11.763 0.383 3.451 1.00 0.00 H new ATOM 0 HG13 ILE A 63 12.037 1.830 2.501 1.00 0.00 H new ATOM 0 HG21 ILE A 63 11.551 1.073 6.160 1.00 0.00 H new ATOM 0 HG22 ILE A 63 9.990 1.926 6.221 1.00 0.00 H new ATOM 0 HG23 ILE A 63 10.159 0.448 5.244 1.00 0.00 H new ATOM 0 HD11 ILE A 63 14.146 0.926 3.352 1.00 0.00 H new ATOM 0 HD12 ILE A 63 13.824 2.528 4.057 1.00 0.00 H new ATOM 0 HD13 ILE A 63 13.545 1.059 5.021 1.00 0.00 H new ATOM 886 N ALA A 64 9.040 4.588 4.689 1.00 0.00 N ATOM 887 CA ALA A 64 8.154 5.372 5.541 1.00 0.00 C ATOM 888 C ALA A 64 6.782 5.540 4.897 1.00 0.00 C ATOM 889 O ALA A 64 5.792 4.980 5.367 1.00 0.00 O ATOM 890 CB ALA A 64 8.771 6.731 5.836 1.00 0.00 C ATOM 0 H ALA A 64 9.809 5.118 4.279 1.00 0.00 H new ATOM 0 HA ALA A 64 8.023 4.834 6.480 1.00 0.00 H new ATOM 0 HB1 ALA A 64 8.098 7.305 6.473 1.00 0.00 H new ATOM 0 HB2 ALA A 64 9.725 6.595 6.345 1.00 0.00 H new ATOM 0 HB3 ALA A 64 8.932 7.268 4.901 1.00 0.00 H new ATOM 896 N SER A 65 6.730 6.317 3.819 1.00 0.00 N ATOM 897 CA SER A 65 5.478 6.563 3.114 1.00 0.00 C ATOM 898 C SER A 65 4.625 5.298 3.063 1.00 0.00 C ATOM 899 O SER A 65 3.396 5.364 3.082 1.00 0.00 O ATOM 900 CB SER A 65 5.757 7.060 1.694 1.00 0.00 C ATOM 901 OG SER A 65 5.860 8.473 1.660 1.00 0.00 O ATOM 0 H SER A 65 7.541 6.787 3.415 1.00 0.00 H new ATOM 0 HA SER A 65 4.928 7.330 3.659 1.00 0.00 H new ATOM 0 HB2 SER A 65 6.681 6.616 1.325 1.00 0.00 H new ATOM 0 HB3 SER A 65 4.958 6.734 1.028 1.00 0.00 H new ATOM 0 HG SER A 65 6.040 8.766 0.742 1.00 0.00 H new ATOM 907 N SER A 66 5.287 4.148 3.000 1.00 0.00 N ATOM 908 CA SER A 66 4.592 2.868 2.943 1.00 0.00 C ATOM 909 C SER A 66 4.088 2.461 4.325 1.00 0.00 C ATOM 910 O SER A 66 2.882 2.384 4.560 1.00 0.00 O ATOM 911 CB SER A 66 5.518 1.784 2.387 1.00 0.00 C ATOM 912 OG SER A 66 5.963 2.114 1.082 1.00 0.00 O ATOM 0 H SER A 66 6.304 4.076 2.987 1.00 0.00 H new ATOM 0 HA SER A 66 3.734 2.979 2.280 1.00 0.00 H new ATOM 0 HB2 SER A 66 6.377 1.661 3.047 1.00 0.00 H new ATOM 0 HB3 SER A 66 4.993 0.829 2.365 1.00 0.00 H new ATOM 0 HG SER A 66 6.707 2.750 1.141 1.00 0.00 H new ATOM 918 N SER A 67 5.021 2.203 5.235 1.00 0.00 N ATOM 919 CA SER A 67 4.673 1.800 6.593 1.00 0.00 C ATOM 920 C SER A 67 3.467 2.586 7.101 1.00 0.00 C ATOM 921 O SER A 67 2.694 2.096 7.925 1.00 0.00 O ATOM 922 CB SER A 67 5.863 2.009 7.531 1.00 0.00 C ATOM 923 OG SER A 67 5.522 1.689 8.868 1.00 0.00 O ATOM 0 H SER A 67 6.023 2.266 5.057 1.00 0.00 H new ATOM 0 HA SER A 67 4.414 0.741 6.576 1.00 0.00 H new ATOM 0 HB2 SER A 67 6.698 1.388 7.207 1.00 0.00 H new ATOM 0 HB3 SER A 67 6.196 3.045 7.476 1.00 0.00 H new ATOM 0 HG SER A 67 6.300 1.830 9.447 1.00 0.00 H new ATOM 929 N LEU A 68 3.313 3.808 6.602 1.00 0.00 N ATOM 930 CA LEU A 68 2.202 4.664 7.004 1.00 0.00 C ATOM 931 C LEU A 68 0.986 4.430 6.114 1.00 0.00 C ATOM 932 O LEU A 68 -0.153 4.477 6.578 1.00 0.00 O ATOM 933 CB LEU A 68 2.618 6.135 6.943 1.00 0.00 C ATOM 934 CG LEU A 68 1.487 7.157 7.056 1.00 0.00 C ATOM 935 CD1 LEU A 68 2.007 8.469 7.623 1.00 0.00 C ATOM 936 CD2 LEU A 68 0.834 7.382 5.700 1.00 0.00 C ATOM 0 H LEU A 68 3.943 4.228 5.919 1.00 0.00 H new ATOM 0 HA LEU A 68 1.933 4.411 8.030 1.00 0.00 H new ATOM 0 HB2 LEU A 68 3.332 6.323 7.744 1.00 0.00 H new ATOM 0 HB3 LEU A 68 3.142 6.305 6.002 1.00 0.00 H new ATOM 0 HG LEU A 68 0.734 6.763 7.739 1.00 0.00 H new ATOM 0 HD11 LEU A 68 1.188 9.184 7.696 1.00 0.00 H new ATOM 0 HD12 LEU A 68 2.427 8.296 8.614 1.00 0.00 H new ATOM 0 HD13 LEU A 68 2.780 8.868 6.966 1.00 0.00 H new ATOM 0 HD21 LEU A 68 0.031 8.112 5.800 1.00 0.00 H new ATOM 0 HD22 LEU A 68 1.578 7.754 4.995 1.00 0.00 H new ATOM 0 HD23 LEU A 68 0.425 6.441 5.333 1.00 0.00 H new ATOM 948 N ALA A 69 1.236 4.177 4.833 1.00 0.00 N ATOM 949 CA ALA A 69 0.161 3.932 3.879 1.00 0.00 C ATOM 950 C ALA A 69 -0.562 2.626 4.191 1.00 0.00 C ATOM 951 O ALA A 69 -1.790 2.589 4.279 1.00 0.00 O ATOM 952 CB ALA A 69 0.710 3.907 2.461 1.00 0.00 C ATOM 0 H ALA A 69 2.173 4.136 4.432 1.00 0.00 H new ATOM 0 HA ALA A 69 -0.560 4.745 3.964 1.00 0.00 H new ATOM 0 HB1 ALA A 69 -0.103 3.723 1.759 1.00 0.00 H new ATOM 0 HB2 ALA A 69 1.175 4.866 2.234 1.00 0.00 H new ATOM 0 HB3 ALA A 69 1.452 3.114 2.372 1.00 0.00 H new ATOM 958 N THR A 70 0.206 1.554 4.358 1.00 0.00 N ATOM 959 CA THR A 70 -0.362 0.246 4.658 1.00 0.00 C ATOM 960 C THR A 70 -1.134 0.270 5.972 1.00 0.00 C ATOM 961 O THR A 70 -1.983 -0.586 6.218 1.00 0.00 O ATOM 962 CB THR A 70 0.732 -0.836 4.739 1.00 0.00 C ATOM 963 OG1 THR A 70 0.141 -2.138 4.655 1.00 0.00 O ATOM 964 CG2 THR A 70 1.519 -0.714 6.035 1.00 0.00 C ATOM 0 H THR A 70 1.224 1.566 4.290 1.00 0.00 H new ATOM 0 HA THR A 70 -1.044 0.003 3.843 1.00 0.00 H new ATOM 0 HB THR A 70 1.416 -0.693 3.902 1.00 0.00 H new ATOM 0 HG1 THR A 70 0.763 -2.804 5.016 1.00 0.00 H new ATOM 0 HG21 THR A 70 2.285 -1.488 6.070 1.00 0.00 H new ATOM 0 HG22 THR A 70 1.992 0.267 6.083 1.00 0.00 H new ATOM 0 HG23 THR A 70 0.844 -0.833 6.883 1.00 0.00 H new ATOM 972 N GLU A 71 -0.835 1.256 6.811 1.00 0.00 N ATOM 973 CA GLU A 71 -1.503 1.391 8.100 1.00 0.00 C ATOM 974 C GLU A 71 -2.843 2.105 7.947 1.00 0.00 C ATOM 975 O GLU A 71 -3.734 1.961 8.784 1.00 0.00 O ATOM 976 CB GLU A 71 -0.615 2.156 9.083 1.00 0.00 C ATOM 977 CG GLU A 71 -1.335 2.580 10.352 1.00 0.00 C ATOM 978 CD GLU A 71 -0.409 2.655 11.551 1.00 0.00 C ATOM 979 OE1 GLU A 71 0.346 1.686 11.777 1.00 0.00 O ATOM 980 OE2 GLU A 71 -0.441 3.680 12.262 1.00 0.00 O ATOM 0 H GLU A 71 -0.135 1.973 6.622 1.00 0.00 H new ATOM 0 HA GLU A 71 -1.687 0.390 8.491 1.00 0.00 H new ATOM 0 HB2 GLU A 71 0.238 1.532 9.351 1.00 0.00 H new ATOM 0 HB3 GLU A 71 -0.218 3.042 8.587 1.00 0.00 H new ATOM 0 HG2 GLU A 71 -1.799 3.554 10.194 1.00 0.00 H new ATOM 0 HG3 GLU A 71 -2.139 1.875 10.562 1.00 0.00 H new ATOM 987 N TRP A 72 -2.977 2.874 6.873 1.00 0.00 N ATOM 988 CA TRP A 72 -4.207 3.612 6.610 1.00 0.00 C ATOM 989 C TRP A 72 -5.261 2.706 5.981 1.00 0.00 C ATOM 990 O TRP A 72 -6.458 2.881 6.207 1.00 0.00 O ATOM 991 CB TRP A 72 -3.926 4.802 5.691 1.00 0.00 C ATOM 992 CG TRP A 72 -3.260 5.948 6.390 1.00 0.00 C ATOM 993 CD1 TRP A 72 -2.876 5.998 7.700 1.00 0.00 C ATOM 994 CD2 TRP A 72 -2.900 7.209 5.816 1.00 0.00 C ATOM 995 NE1 TRP A 72 -2.300 7.214 7.975 1.00 0.00 N ATOM 996 CE2 TRP A 72 -2.302 7.975 6.836 1.00 0.00 C ATOM 997 CE3 TRP A 72 -3.023 7.766 4.540 1.00 0.00 C ATOM 998 CZ2 TRP A 72 -1.830 9.267 6.617 1.00 0.00 C ATOM 999 CZ3 TRP A 72 -2.555 9.048 4.325 1.00 0.00 C ATOM 1000 CH2 TRP A 72 -1.964 9.787 5.358 1.00 0.00 C ATOM 0 H TRP A 72 -2.249 3.003 6.170 1.00 0.00 H new ATOM 0 HA TRP A 72 -4.591 3.980 7.561 1.00 0.00 H new ATOM 0 HB2 TRP A 72 -3.295 4.473 4.865 1.00 0.00 H new ATOM 0 HB3 TRP A 72 -4.865 5.146 5.257 1.00 0.00 H new ATOM 0 HD1 TRP A 72 -3.006 5.199 8.414 1.00 0.00 H new ATOM 0 HE1 TRP A 72 -1.931 7.504 8.881 1.00 0.00 H new ATOM 0 HE3 TRP A 72 -3.476 7.204 3.736 1.00 0.00 H new ATOM 0 HZ2 TRP A 72 -1.374 9.838 7.412 1.00 0.00 H new ATOM 0 HZ3 TRP A 72 -2.646 9.488 3.343 1.00 0.00 H new ATOM 0 HH2 TRP A 72 -1.607 10.786 5.157 1.00 0.00 H new ATOM 1011 N VAL A 73 -4.808 1.738 5.192 1.00 0.00 N ATOM 1012 CA VAL A 73 -5.712 0.803 4.532 1.00 0.00 C ATOM 1013 C VAL A 73 -6.374 -0.127 5.542 1.00 0.00 C ATOM 1014 O VAL A 73 -7.510 -0.561 5.351 1.00 0.00 O ATOM 1015 CB VAL A 73 -4.973 -0.043 3.478 1.00 0.00 C ATOM 1016 CG1 VAL A 73 -4.150 0.846 2.560 1.00 0.00 C ATOM 1017 CG2 VAL A 73 -4.094 -1.085 4.154 1.00 0.00 C ATOM 0 H VAL A 73 -3.820 1.580 4.994 1.00 0.00 H new ATOM 0 HA VAL A 73 -6.478 1.400 4.036 1.00 0.00 H new ATOM 0 HB VAL A 73 -5.713 -0.563 2.870 1.00 0.00 H new ATOM 0 HG11 VAL A 73 -3.635 0.230 1.822 1.00 0.00 H new ATOM 0 HG12 VAL A 73 -4.807 1.550 2.050 1.00 0.00 H new ATOM 0 HG13 VAL A 73 -3.416 1.396 3.149 1.00 0.00 H new ATOM 0 HG21 VAL A 73 -3.579 -1.674 3.395 1.00 0.00 H new ATOM 0 HG22 VAL A 73 -3.360 -0.586 4.787 1.00 0.00 H new ATOM 0 HG23 VAL A 73 -4.713 -1.742 4.765 1.00 0.00 H new ATOM 1027 N LYS A 74 -5.657 -0.429 6.619 1.00 0.00 N ATOM 1028 CA LYS A 74 -6.174 -1.306 7.662 1.00 0.00 C ATOM 1029 C LYS A 74 -7.426 -0.713 8.301 1.00 0.00 C ATOM 1030 O LYS A 74 -7.448 0.458 8.676 1.00 0.00 O ATOM 1031 CB LYS A 74 -5.107 -1.545 8.732 1.00 0.00 C ATOM 1032 CG LYS A 74 -3.876 -2.268 8.214 1.00 0.00 C ATOM 1033 CD LYS A 74 -2.819 -2.416 9.295 1.00 0.00 C ATOM 1034 CE LYS A 74 -1.442 -2.662 8.698 1.00 0.00 C ATOM 1035 NZ LYS A 74 -0.356 -2.148 9.578 1.00 0.00 N ATOM 0 H LYS A 74 -4.715 -0.079 6.792 1.00 0.00 H new ATOM 0 HA LYS A 74 -6.438 -2.258 7.202 1.00 0.00 H new ATOM 0 HB2 LYS A 74 -4.805 -0.586 9.152 1.00 0.00 H new ATOM 0 HB3 LYS A 74 -5.543 -2.125 9.545 1.00 0.00 H new ATOM 0 HG2 LYS A 74 -4.160 -3.253 7.845 1.00 0.00 H new ATOM 0 HG3 LYS A 74 -3.459 -1.719 7.369 1.00 0.00 H new ATOM 0 HD2 LYS A 74 -2.795 -1.515 9.908 1.00 0.00 H new ATOM 0 HD3 LYS A 74 -3.084 -3.243 9.954 1.00 0.00 H new ATOM 0 HE2 LYS A 74 -1.302 -3.731 8.535 1.00 0.00 H new ATOM 0 HE3 LYS A 74 -1.378 -2.180 7.722 1.00 0.00 H new ATOM 0 HZ1 LYS A 74 0.567 -2.335 9.136 1.00 0.00 H new ATOM 0 HZ2 LYS A 74 -0.474 -1.124 9.713 1.00 0.00 H new ATOM 0 HZ3 LYS A 74 -0.401 -2.626 10.500 1.00 0.00 H new ATOM 1049 N GLY A 75 -8.468 -1.530 8.422 1.00 0.00 N ATOM 1050 CA GLY A 75 -9.708 -1.068 9.017 1.00 0.00 C ATOM 1051 C GLY A 75 -10.648 -0.457 7.997 1.00 0.00 C ATOM 1052 O GLY A 75 -11.866 -0.609 8.094 1.00 0.00 O ATOM 0 H GLY A 75 -8.475 -2.504 8.118 1.00 0.00 H new ATOM 0 HA2 GLY A 75 -10.205 -1.904 9.509 1.00 0.00 H new ATOM 0 HA3 GLY A 75 -9.485 -0.331 9.788 1.00 0.00 H new ATOM 1056 N LYS A 76 -10.083 0.237 7.015 1.00 0.00 N ATOM 1057 CA LYS A 76 -10.878 0.874 5.972 1.00 0.00 C ATOM 1058 C LYS A 76 -11.260 -0.131 4.889 1.00 0.00 C ATOM 1059 O LYS A 76 -10.784 -1.266 4.885 1.00 0.00 O ATOM 1060 CB LYS A 76 -10.103 2.038 5.351 1.00 0.00 C ATOM 1061 CG LYS A 76 -9.603 3.048 6.370 1.00 0.00 C ATOM 1062 CD LYS A 76 -8.829 4.174 5.705 1.00 0.00 C ATOM 1063 CE LYS A 76 -9.755 5.280 5.225 1.00 0.00 C ATOM 1064 NZ LYS A 76 -9.213 5.975 4.025 1.00 0.00 N ATOM 0 H LYS A 76 -9.077 0.373 6.920 1.00 0.00 H new ATOM 0 HA LYS A 76 -11.792 1.256 6.428 1.00 0.00 H new ATOM 0 HB2 LYS A 76 -9.252 1.642 4.796 1.00 0.00 H new ATOM 0 HB3 LYS A 76 -10.744 2.547 4.631 1.00 0.00 H new ATOM 0 HG2 LYS A 76 -10.449 3.461 6.919 1.00 0.00 H new ATOM 0 HG3 LYS A 76 -8.965 2.547 7.098 1.00 0.00 H new ATOM 0 HD2 LYS A 76 -8.105 4.584 6.409 1.00 0.00 H new ATOM 0 HD3 LYS A 76 -8.264 3.779 4.861 1.00 0.00 H new ATOM 0 HE2 LYS A 76 -10.733 4.859 4.990 1.00 0.00 H new ATOM 0 HE3 LYS A 76 -9.904 6.003 6.027 1.00 0.00 H new ATOM 0 HZ1 LYS A 76 -9.873 6.722 3.729 1.00 0.00 H new ATOM 0 HZ2 LYS A 76 -8.292 6.399 4.256 1.00 0.00 H new ATOM 0 HZ3 LYS A 76 -9.095 5.290 3.251 1.00 0.00 H new ATOM 1078 N THR A 77 -12.122 0.295 3.971 1.00 0.00 N ATOM 1079 CA THR A 77 -12.568 -0.566 2.883 1.00 0.00 C ATOM 1080 C THR A 77 -11.870 -0.208 1.576 1.00 0.00 C ATOM 1081 O THR A 77 -11.350 0.897 1.421 1.00 0.00 O ATOM 1082 CB THR A 77 -14.092 -0.473 2.680 1.00 0.00 C ATOM 1083 OG1 THR A 77 -14.459 0.869 2.339 1.00 0.00 O ATOM 1084 CG2 THR A 77 -14.832 -0.901 3.938 1.00 0.00 C ATOM 0 H THR A 77 -12.525 1.232 3.960 1.00 0.00 H new ATOM 0 HA THR A 77 -12.308 -1.587 3.163 1.00 0.00 H new ATOM 0 HB THR A 77 -14.370 -1.144 1.867 1.00 0.00 H new ATOM 0 HG1 THR A 77 -15.429 0.920 2.210 1.00 0.00 H new ATOM 0 HG21 THR A 77 -15.907 -0.827 3.771 1.00 0.00 H new ATOM 0 HG22 THR A 77 -14.572 -1.932 4.180 1.00 0.00 H new ATOM 0 HG23 THR A 77 -14.548 -0.251 4.766 1.00 0.00 H new ATOM 1092 N VAL A 78 -11.862 -1.148 0.637 1.00 0.00 N ATOM 1093 CA VAL A 78 -11.230 -0.931 -0.658 1.00 0.00 C ATOM 1094 C VAL A 78 -11.645 0.410 -1.254 1.00 0.00 C ATOM 1095 O VAL A 78 -10.823 1.129 -1.821 1.00 0.00 O ATOM 1096 CB VAL A 78 -11.584 -2.053 -1.652 1.00 0.00 C ATOM 1097 CG1 VAL A 78 -11.053 -3.390 -1.158 1.00 0.00 C ATOM 1098 CG2 VAL A 78 -13.088 -2.115 -1.871 1.00 0.00 C ATOM 0 H VAL A 78 -12.287 -2.068 0.749 1.00 0.00 H new ATOM 0 HA VAL A 78 -10.153 -0.933 -0.488 1.00 0.00 H new ATOM 0 HB VAL A 78 -11.110 -1.832 -2.608 1.00 0.00 H new ATOM 0 HG11 VAL A 78 -11.312 -4.171 -1.873 1.00 0.00 H new ATOM 0 HG12 VAL A 78 -9.969 -3.336 -1.057 1.00 0.00 H new ATOM 0 HG13 VAL A 78 -11.497 -3.622 -0.190 1.00 0.00 H new ATOM 0 HG21 VAL A 78 -13.320 -2.913 -2.576 1.00 0.00 H new ATOM 0 HG22 VAL A 78 -13.586 -2.313 -0.922 1.00 0.00 H new ATOM 0 HG23 VAL A 78 -13.437 -1.163 -2.272 1.00 0.00 H new ATOM 1108 N GLU A 79 -12.925 0.740 -1.120 1.00 0.00 N ATOM 1109 CA GLU A 79 -13.449 1.995 -1.646 1.00 0.00 C ATOM 1110 C GLU A 79 -12.747 3.189 -1.006 1.00 0.00 C ATOM 1111 O GLU A 79 -12.370 4.140 -1.689 1.00 0.00 O ATOM 1112 CB GLU A 79 -14.957 2.086 -1.403 1.00 0.00 C ATOM 1113 CG GLU A 79 -15.733 0.896 -1.940 1.00 0.00 C ATOM 1114 CD GLU A 79 -17.128 0.795 -1.353 1.00 0.00 C ATOM 1115 OE1 GLU A 79 -17.245 0.424 -0.166 1.00 0.00 O ATOM 1116 OE2 GLU A 79 -18.101 1.086 -2.079 1.00 0.00 O ATOM 0 H GLU A 79 -13.618 0.156 -0.652 1.00 0.00 H new ATOM 0 HA GLU A 79 -13.259 2.016 -2.719 1.00 0.00 H new ATOM 0 HB2 GLU A 79 -15.139 2.174 -0.332 1.00 0.00 H new ATOM 0 HB3 GLU A 79 -15.337 2.996 -1.867 1.00 0.00 H new ATOM 0 HG2 GLU A 79 -15.804 0.973 -3.025 1.00 0.00 H new ATOM 0 HG3 GLU A 79 -15.184 -0.020 -1.721 1.00 0.00 H new ATOM 1123 N GLU A 80 -12.574 3.130 0.311 1.00 0.00 N ATOM 1124 CA GLU A 80 -11.919 4.207 1.044 1.00 0.00 C ATOM 1125 C GLU A 80 -10.477 4.385 0.575 1.00 0.00 C ATOM 1126 O GLU A 80 -10.020 5.505 0.353 1.00 0.00 O ATOM 1127 CB GLU A 80 -11.946 3.921 2.547 1.00 0.00 C ATOM 1128 CG GLU A 80 -13.344 3.696 3.099 1.00 0.00 C ATOM 1129 CD GLU A 80 -14.126 4.986 3.249 1.00 0.00 C ATOM 1130 OE1 GLU A 80 -14.456 5.603 2.214 1.00 0.00 O ATOM 1131 OE2 GLU A 80 -14.408 5.379 4.400 1.00 0.00 O ATOM 0 H GLU A 80 -12.878 2.348 0.892 1.00 0.00 H new ATOM 0 HA GLU A 80 -12.464 5.130 0.847 1.00 0.00 H new ATOM 0 HB2 GLU A 80 -11.338 3.040 2.752 1.00 0.00 H new ATOM 0 HB3 GLU A 80 -11.486 4.756 3.075 1.00 0.00 H new ATOM 0 HG2 GLU A 80 -13.887 3.021 2.438 1.00 0.00 H new ATOM 0 HG3 GLU A 80 -13.273 3.204 4.069 1.00 0.00 H new ATOM 1138 N ALA A 81 -9.767 3.271 0.428 1.00 0.00 N ATOM 1139 CA ALA A 81 -8.379 3.303 -0.016 1.00 0.00 C ATOM 1140 C ALA A 81 -8.245 4.032 -1.349 1.00 0.00 C ATOM 1141 O ALA A 81 -7.342 4.849 -1.533 1.00 0.00 O ATOM 1142 CB ALA A 81 -7.828 1.889 -0.128 1.00 0.00 C ATOM 0 H ALA A 81 -10.130 2.335 0.610 1.00 0.00 H new ATOM 0 HA ALA A 81 -7.799 3.850 0.727 1.00 0.00 H new ATOM 0 HB1 ALA A 81 -6.791 1.928 -0.461 1.00 0.00 H new ATOM 0 HB2 ALA A 81 -7.879 1.400 0.845 1.00 0.00 H new ATOM 0 HB3 ALA A 81 -8.419 1.324 -0.849 1.00 0.00 H new ATOM 1148 N LEU A 82 -9.149 3.732 -2.275 1.00 0.00 N ATOM 1149 CA LEU A 82 -9.131 4.359 -3.592 1.00 0.00 C ATOM 1150 C LEU A 82 -9.101 5.879 -3.472 1.00 0.00 C ATOM 1151 O LEU A 82 -8.619 6.575 -4.366 1.00 0.00 O ATOM 1152 CB LEU A 82 -10.354 3.924 -4.402 1.00 0.00 C ATOM 1153 CG LEU A 82 -10.168 2.693 -5.290 1.00 0.00 C ATOM 1154 CD1 LEU A 82 -9.011 2.901 -6.255 1.00 0.00 C ATOM 1155 CD2 LEU A 82 -9.940 1.452 -4.440 1.00 0.00 C ATOM 0 H LEU A 82 -9.903 3.059 -2.138 1.00 0.00 H new ATOM 0 HA LEU A 82 -8.227 4.036 -4.108 1.00 0.00 H new ATOM 0 HB2 LEU A 82 -11.172 3.727 -3.709 1.00 0.00 H new ATOM 0 HB3 LEU A 82 -10.663 4.758 -5.032 1.00 0.00 H new ATOM 0 HG LEU A 82 -11.078 2.548 -5.872 1.00 0.00 H new ATOM 0 HD11 LEU A 82 -8.894 2.015 -6.879 1.00 0.00 H new ATOM 0 HD12 LEU A 82 -9.215 3.765 -6.887 1.00 0.00 H new ATOM 0 HD13 LEU A 82 -8.094 3.072 -5.692 1.00 0.00 H new ATOM 0 HD21 LEU A 82 -9.810 0.586 -5.089 1.00 0.00 H new ATOM 0 HD22 LEU A 82 -9.046 1.587 -3.831 1.00 0.00 H new ATOM 0 HD23 LEU A 82 -10.801 1.293 -3.790 1.00 0.00 H new ATOM 1167 N THR A 83 -9.617 6.389 -2.358 1.00 0.00 N ATOM 1168 CA THR A 83 -9.648 7.827 -2.119 1.00 0.00 C ATOM 1169 C THR A 83 -8.315 8.322 -1.571 1.00 0.00 C ATOM 1170 O THR A 83 -7.917 9.461 -1.818 1.00 0.00 O ATOM 1171 CB THR A 83 -10.769 8.208 -1.133 1.00 0.00 C ATOM 1172 OG1 THR A 83 -10.356 7.927 0.209 1.00 0.00 O ATOM 1173 CG2 THR A 83 -12.047 7.446 -1.446 1.00 0.00 C ATOM 0 H THR A 83 -10.019 5.828 -1.607 1.00 0.00 H new ATOM 0 HA THR A 83 -9.842 8.303 -3.080 1.00 0.00 H new ATOM 0 HB THR A 83 -10.967 9.275 -1.236 1.00 0.00 H new ATOM 0 HG1 THR A 83 -10.574 6.998 0.431 1.00 0.00 H new ATOM 0 HG21 THR A 83 -12.824 7.732 -0.737 1.00 0.00 H new ATOM 0 HG22 THR A 83 -12.374 7.684 -2.458 1.00 0.00 H new ATOM 0 HG23 THR A 83 -11.860 6.375 -1.368 1.00 0.00 H new ATOM 1181 N ILE A 84 -7.628 7.460 -0.829 1.00 0.00 N ATOM 1182 CA ILE A 84 -6.338 7.811 -0.248 1.00 0.00 C ATOM 1183 C ILE A 84 -5.425 8.454 -1.286 1.00 0.00 C ATOM 1184 O ILE A 84 -4.957 7.793 -2.214 1.00 0.00 O ATOM 1185 CB ILE A 84 -5.633 6.577 0.345 1.00 0.00 C ATOM 1186 CG1 ILE A 84 -6.353 6.111 1.612 1.00 0.00 C ATOM 1187 CG2 ILE A 84 -4.175 6.892 0.642 1.00 0.00 C ATOM 1188 CD1 ILE A 84 -5.720 4.897 2.255 1.00 0.00 C ATOM 0 H ILE A 84 -7.943 6.514 -0.616 1.00 0.00 H new ATOM 0 HA ILE A 84 -6.536 8.525 0.551 1.00 0.00 H new ATOM 0 HB ILE A 84 -5.668 5.770 -0.387 1.00 0.00 H new ATOM 0 HG12 ILE A 84 -6.367 6.928 2.333 1.00 0.00 H new ATOM 0 HG13 ILE A 84 -7.391 5.883 1.368 1.00 0.00 H new ATOM 0 HG21 ILE A 84 -3.690 6.010 1.061 1.00 0.00 H new ATOM 0 HG22 ILE A 84 -3.670 7.181 -0.280 1.00 0.00 H new ATOM 0 HG23 ILE A 84 -4.118 7.712 1.358 1.00 0.00 H new ATOM 0 HD11 ILE A 84 -6.283 4.623 3.147 1.00 0.00 H new ATOM 0 HD12 ILE A 84 -5.730 4.065 1.550 1.00 0.00 H new ATOM 0 HD13 ILE A 84 -4.691 5.127 2.531 1.00 0.00 H new ATOM 1200 N LYS A 85 -5.173 9.749 -1.124 1.00 0.00 N ATOM 1201 CA LYS A 85 -4.313 10.483 -2.044 1.00 0.00 C ATOM 1202 C LYS A 85 -2.864 10.463 -1.568 1.00 0.00 C ATOM 1203 O LYS A 85 -2.577 10.058 -0.443 1.00 0.00 O ATOM 1204 CB LYS A 85 -4.796 11.929 -2.183 1.00 0.00 C ATOM 1205 CG LYS A 85 -6.251 12.046 -2.602 1.00 0.00 C ATOM 1206 CD LYS A 85 -6.440 11.691 -4.067 1.00 0.00 C ATOM 1207 CE LYS A 85 -7.823 12.085 -4.562 1.00 0.00 C ATOM 1208 NZ LYS A 85 -8.176 11.391 -5.832 1.00 0.00 N ATOM 0 H LYS A 85 -5.553 10.312 -0.363 1.00 0.00 H new ATOM 0 HA LYS A 85 -4.364 9.995 -3.017 1.00 0.00 H new ATOM 0 HB2 LYS A 85 -4.658 12.442 -1.231 1.00 0.00 H new ATOM 0 HB3 LYS A 85 -4.173 12.443 -2.915 1.00 0.00 H new ATOM 0 HG2 LYS A 85 -6.862 11.387 -1.985 1.00 0.00 H new ATOM 0 HG3 LYS A 85 -6.601 13.063 -2.425 1.00 0.00 H new ATOM 0 HD2 LYS A 85 -5.681 12.195 -4.665 1.00 0.00 H new ATOM 0 HD3 LYS A 85 -6.295 10.620 -4.204 1.00 0.00 H new ATOM 0 HE2 LYS A 85 -8.564 11.845 -3.799 1.00 0.00 H new ATOM 0 HE3 LYS A 85 -7.860 13.164 -4.715 1.00 0.00 H new ATOM 0 HZ1 LYS A 85 -9.126 11.686 -6.137 1.00 0.00 H new ATOM 0 HZ2 LYS A 85 -7.484 11.639 -6.567 1.00 0.00 H new ATOM 0 HZ3 LYS A 85 -8.165 10.362 -5.680 1.00 0.00 H new ATOM 1222 N ASN A 86 -1.956 10.905 -2.432 1.00 0.00 N ATOM 1223 CA ASN A 86 -0.536 10.939 -2.098 1.00 0.00 C ATOM 1224 C ASN A 86 -0.181 12.227 -1.362 1.00 0.00 C ATOM 1225 O ASN A 86 0.477 12.200 -0.322 1.00 0.00 O ATOM 1226 CB ASN A 86 0.310 10.812 -3.367 1.00 0.00 C ATOM 1227 CG ASN A 86 -0.083 11.823 -4.427 1.00 0.00 C ATOM 1228 OD1 ASN A 86 -1.063 11.634 -5.148 1.00 0.00 O ATOM 1229 ND2 ASN A 86 0.682 12.904 -4.527 1.00 0.00 N ATOM 0 H ASN A 86 -2.178 11.244 -3.368 1.00 0.00 H new ATOM 0 HA ASN A 86 -0.322 10.096 -1.441 1.00 0.00 H new ATOM 0 HB2 ASN A 86 1.362 10.945 -3.114 1.00 0.00 H new ATOM 0 HB3 ASN A 86 0.204 9.805 -3.772 1.00 0.00 H new ATOM 0 HD21 ASN A 86 0.467 13.619 -5.222 1.00 0.00 H new ATOM 0 HD22 ASN A 86 1.485 13.020 -3.909 1.00 0.00 H new ATOM 1236 N THR A 87 -0.622 13.356 -1.910 1.00 0.00 N ATOM 1237 CA THR A 87 -0.350 14.654 -1.306 1.00 0.00 C ATOM 1238 C THR A 87 -0.518 14.603 0.208 1.00 0.00 C ATOM 1239 O THR A 87 0.209 15.270 0.945 1.00 0.00 O ATOM 1240 CB THR A 87 -1.278 15.744 -1.877 1.00 0.00 C ATOM 1241 OG1 THR A 87 -1.250 16.901 -1.035 1.00 0.00 O ATOM 1242 CG2 THR A 87 -2.705 15.231 -1.997 1.00 0.00 C ATOM 0 H THR A 87 -1.169 13.397 -2.770 1.00 0.00 H new ATOM 0 HA THR A 87 0.684 14.903 -1.546 1.00 0.00 H new ATOM 0 HB THR A 87 -0.920 16.011 -2.871 1.00 0.00 H new ATOM 0 HG1 THR A 87 -1.841 17.590 -1.405 1.00 0.00 H new ATOM 0 HG21 THR A 87 -3.342 16.018 -2.402 1.00 0.00 H new ATOM 0 HG22 THR A 87 -2.727 14.368 -2.662 1.00 0.00 H new ATOM 0 HG23 THR A 87 -3.071 14.939 -1.013 1.00 0.00 H new ATOM 1250 N ASP A 88 -1.478 13.808 0.666 1.00 0.00 N ATOM 1251 CA ASP A 88 -1.739 13.668 2.093 1.00 0.00 C ATOM 1252 C ASP A 88 -0.589 12.946 2.788 1.00 0.00 C ATOM 1253 O ASP A 88 -0.109 13.386 3.834 1.00 0.00 O ATOM 1254 CB ASP A 88 -3.047 12.908 2.322 1.00 0.00 C ATOM 1255 CG ASP A 88 -3.558 13.050 3.743 1.00 0.00 C ATOM 1256 OD1 ASP A 88 -3.480 14.169 4.292 1.00 0.00 O ATOM 1257 OD2 ASP A 88 -4.036 12.043 4.305 1.00 0.00 O ATOM 0 H ASP A 88 -2.089 13.250 0.069 1.00 0.00 H new ATOM 0 HA ASP A 88 -1.828 14.667 2.520 1.00 0.00 H new ATOM 0 HB2 ASP A 88 -3.803 13.275 1.629 1.00 0.00 H new ATOM 0 HB3 ASP A 88 -2.895 11.852 2.098 1.00 0.00 H new ATOM 1262 N ILE A 89 -0.153 11.837 2.202 1.00 0.00 N ATOM 1263 CA ILE A 89 0.941 11.055 2.765 1.00 0.00 C ATOM 1264 C ILE A 89 2.223 11.877 2.839 1.00 0.00 C ATOM 1265 O ILE A 89 2.755 12.120 3.922 1.00 0.00 O ATOM 1266 CB ILE A 89 1.208 9.783 1.938 1.00 0.00 C ATOM 1267 CG1 ILE A 89 -0.055 8.923 1.864 1.00 0.00 C ATOM 1268 CG2 ILE A 89 2.359 8.992 2.539 1.00 0.00 C ATOM 1269 CD1 ILE A 89 0.041 7.792 0.863 1.00 0.00 C ATOM 0 H ILE A 89 -0.540 11.459 1.337 1.00 0.00 H new ATOM 0 HA ILE A 89 0.637 10.767 3.772 1.00 0.00 H new ATOM 0 HB ILE A 89 1.485 10.077 0.926 1.00 0.00 H new ATOM 0 HG12 ILE A 89 -0.260 8.508 2.851 1.00 0.00 H new ATOM 0 HG13 ILE A 89 -0.902 9.557 1.603 1.00 0.00 H new ATOM 0 HG21 ILE A 89 2.535 8.096 1.943 1.00 0.00 H new ATOM 0 HG22 ILE A 89 3.259 9.607 2.545 1.00 0.00 H new ATOM 0 HG23 ILE A 89 2.109 8.705 3.560 1.00 0.00 H new ATOM 0 HD11 ILE A 89 -0.890 7.225 0.865 1.00 0.00 H new ATOM 0 HD12 ILE A 89 0.215 8.201 -0.132 1.00 0.00 H new ATOM 0 HD13 ILE A 89 0.867 7.135 1.135 1.00 0.00 H new ATOM 1281 N ALA A 90 2.714 12.304 1.680 1.00 0.00 N ATOM 1282 CA ALA A 90 3.931 13.103 1.614 1.00 0.00 C ATOM 1283 C ALA A 90 3.971 14.137 2.734 1.00 0.00 C ATOM 1284 O ALA A 90 5.011 14.357 3.355 1.00 0.00 O ATOM 1285 CB ALA A 90 4.042 13.785 0.259 1.00 0.00 C ATOM 0 H ALA A 90 2.287 12.110 0.774 1.00 0.00 H new ATOM 0 HA ALA A 90 4.782 12.434 1.742 1.00 0.00 H new ATOM 0 HB1 ALA A 90 4.956 14.378 0.224 1.00 0.00 H new ATOM 0 HB2 ALA A 90 4.069 13.030 -0.527 1.00 0.00 H new ATOM 0 HB3 ALA A 90 3.181 14.436 0.108 1.00 0.00 H new ATOM 1291 N LYS A 91 2.831 14.771 2.988 1.00 0.00 N ATOM 1292 CA LYS A 91 2.734 15.783 4.034 1.00 0.00 C ATOM 1293 C LYS A 91 2.938 15.162 5.412 1.00 0.00 C ATOM 1294 O LYS A 91 3.626 15.727 6.261 1.00 0.00 O ATOM 1295 CB LYS A 91 1.373 16.480 3.973 1.00 0.00 C ATOM 1296 CG LYS A 91 1.218 17.601 4.987 1.00 0.00 C ATOM 1297 CD LYS A 91 -0.123 18.300 4.844 1.00 0.00 C ATOM 1298 CE LYS A 91 -0.304 19.380 5.900 1.00 0.00 C ATOM 1299 NZ LYS A 91 -1.457 20.270 5.591 1.00 0.00 N ATOM 0 H LYS A 91 1.961 14.602 2.484 1.00 0.00 H new ATOM 0 HA LYS A 91 3.520 16.519 3.867 1.00 0.00 H new ATOM 0 HB2 LYS A 91 1.226 16.884 2.972 1.00 0.00 H new ATOM 0 HB3 LYS A 91 0.588 15.742 4.137 1.00 0.00 H new ATOM 0 HG2 LYS A 91 1.313 17.197 5.995 1.00 0.00 H new ATOM 0 HG3 LYS A 91 2.022 18.325 4.856 1.00 0.00 H new ATOM 0 HD2 LYS A 91 -0.199 18.744 3.851 1.00 0.00 H new ATOM 0 HD3 LYS A 91 -0.927 17.569 4.929 1.00 0.00 H new ATOM 0 HE2 LYS A 91 -0.456 18.914 6.874 1.00 0.00 H new ATOM 0 HE3 LYS A 91 0.606 19.976 5.970 1.00 0.00 H new ATOM 0 HZ1 LYS A 91 -1.547 20.992 6.334 1.00 0.00 H new ATOM 0 HZ2 LYS A 91 -1.301 20.734 4.674 1.00 0.00 H new ATOM 0 HZ3 LYS A 91 -2.330 19.706 5.549 1.00 0.00 H new ATOM 1313 N GLU A 92 2.337 13.996 5.626 1.00 0.00 N ATOM 1314 CA GLU A 92 2.454 13.299 6.901 1.00 0.00 C ATOM 1315 C GLU A 92 3.911 12.961 7.205 1.00 0.00 C ATOM 1316 O GLU A 92 4.381 13.142 8.329 1.00 0.00 O ATOM 1317 CB GLU A 92 1.614 12.020 6.888 1.00 0.00 C ATOM 1318 CG GLU A 92 1.265 11.507 8.275 1.00 0.00 C ATOM 1319 CD GLU A 92 0.852 12.618 9.221 1.00 0.00 C ATOM 1320 OE1 GLU A 92 -0.070 13.384 8.870 1.00 0.00 O ATOM 1321 OE2 GLU A 92 1.451 12.722 10.312 1.00 0.00 O ATOM 0 H GLU A 92 1.764 13.514 4.933 1.00 0.00 H new ATOM 0 HA GLU A 92 2.082 13.961 7.683 1.00 0.00 H new ATOM 0 HB2 GLU A 92 0.693 12.206 6.336 1.00 0.00 H new ATOM 0 HB3 GLU A 92 2.157 11.244 6.349 1.00 0.00 H new ATOM 0 HG2 GLU A 92 0.455 10.782 8.197 1.00 0.00 H new ATOM 0 HG3 GLU A 92 2.125 10.982 8.691 1.00 0.00 H new ATOM 1328 N LEU A 93 4.620 12.469 6.195 1.00 0.00 N ATOM 1329 CA LEU A 93 6.024 12.104 6.352 1.00 0.00 C ATOM 1330 C LEU A 93 6.919 13.336 6.266 1.00 0.00 C ATOM 1331 O LEU A 93 8.050 13.329 6.754 1.00 0.00 O ATOM 1332 CB LEU A 93 6.430 11.088 5.283 1.00 0.00 C ATOM 1333 CG LEU A 93 5.765 9.714 5.375 1.00 0.00 C ATOM 1334 CD1 LEU A 93 5.579 9.307 6.829 1.00 0.00 C ATOM 1335 CD2 LEU A 93 4.429 9.719 4.646 1.00 0.00 C ATOM 0 H LEU A 93 4.246 12.314 5.259 1.00 0.00 H new ATOM 0 HA LEU A 93 6.150 11.655 7.337 1.00 0.00 H new ATOM 0 HB2 LEU A 93 6.207 11.512 4.304 1.00 0.00 H new ATOM 0 HB3 LEU A 93 7.510 10.951 5.333 1.00 0.00 H new ATOM 0 HG LEU A 93 6.416 8.983 4.895 1.00 0.00 H new ATOM 0 HD11 LEU A 93 5.104 8.327 6.875 1.00 0.00 H new ATOM 0 HD12 LEU A 93 6.550 9.263 7.322 1.00 0.00 H new ATOM 0 HD13 LEU A 93 4.949 10.039 7.334 1.00 0.00 H new ATOM 0 HD21 LEU A 93 3.970 8.733 4.722 1.00 0.00 H new ATOM 0 HD22 LEU A 93 3.771 10.462 5.097 1.00 0.00 H new ATOM 0 HD23 LEU A 93 4.588 9.966 3.596 1.00 0.00 H new ATOM 1347 N CYS A 94 6.406 14.391 5.645 1.00 0.00 N ATOM 1348 CA CYS A 94 7.159 15.632 5.496 1.00 0.00 C ATOM 1349 C CYS A 94 8.401 15.414 4.639 1.00 0.00 C ATOM 1350 O CYS A 94 9.492 15.873 4.980 1.00 0.00 O ATOM 1351 CB CYS A 94 7.559 16.178 6.867 1.00 0.00 C ATOM 1352 SG CYS A 94 6.162 16.518 7.963 1.00 0.00 S ATOM 0 H CYS A 94 5.472 14.413 5.236 1.00 0.00 H new ATOM 0 HA CYS A 94 6.519 16.359 4.997 1.00 0.00 H new ATOM 0 HB2 CYS A 94 8.222 15.461 7.352 1.00 0.00 H new ATOM 0 HB3 CYS A 94 8.130 17.096 6.728 1.00 0.00 H new ATOM 0 HG CYS A 94 5.051 16.226 7.354 1.00 0.00 H new ATOM 1358 N LEU A 95 8.230 14.709 3.526 1.00 0.00 N ATOM 1359 CA LEU A 95 9.338 14.429 2.620 1.00 0.00 C ATOM 1360 C LEU A 95 9.567 15.593 1.662 1.00 0.00 C ATOM 1361 O LEU A 95 8.654 16.354 1.341 1.00 0.00 O ATOM 1362 CB LEU A 95 9.064 13.149 1.828 1.00 0.00 C ATOM 1363 CG LEU A 95 7.821 13.164 0.937 1.00 0.00 C ATOM 1364 CD1 LEU A 95 8.174 13.641 -0.463 1.00 0.00 C ATOM 1365 CD2 LEU A 95 7.183 11.784 0.887 1.00 0.00 C ATOM 0 H LEU A 95 7.335 14.321 3.229 1.00 0.00 H new ATOM 0 HA LEU A 95 10.238 14.293 3.219 1.00 0.00 H new ATOM 0 HB2 LEU A 95 9.932 12.940 1.203 1.00 0.00 H new ATOM 0 HB3 LEU A 95 8.972 12.322 2.532 1.00 0.00 H new ATOM 0 HG LEU A 95 7.099 13.860 1.365 1.00 0.00 H new ATOM 0 HD11 LEU A 95 7.277 13.645 -1.083 1.00 0.00 H new ATOM 0 HD12 LEU A 95 8.584 14.650 -0.411 1.00 0.00 H new ATOM 0 HD13 LEU A 95 8.914 12.971 -0.900 1.00 0.00 H new ATOM 0 HD21 LEU A 95 6.300 11.814 0.248 1.00 0.00 H new ATOM 0 HD22 LEU A 95 7.898 11.067 0.484 1.00 0.00 H new ATOM 0 HD23 LEU A 95 6.893 11.481 1.893 1.00 0.00 H new ATOM 1377 N PRO A 96 10.815 15.737 1.192 1.00 0.00 N ATOM 1378 CA PRO A 96 11.193 16.805 0.262 1.00 0.00 C ATOM 1379 C PRO A 96 10.589 16.607 -1.124 1.00 0.00 C ATOM 1380 O PRO A 96 10.020 15.561 -1.436 1.00 0.00 O ATOM 1381 CB PRO A 96 12.719 16.699 0.200 1.00 0.00 C ATOM 1382 CG PRO A 96 13.014 15.281 0.549 1.00 0.00 C ATOM 1383 CD PRO A 96 11.954 14.867 1.532 1.00 0.00 C ATOM 0 HA PRO A 96 10.833 17.779 0.593 1.00 0.00 H new ATOM 0 HB2 PRO A 96 13.093 16.949 -0.793 1.00 0.00 H new ATOM 0 HB3 PRO A 96 13.193 17.386 0.901 1.00 0.00 H new ATOM 0 HG2 PRO A 96 12.992 14.648 -0.338 1.00 0.00 H new ATOM 0 HG3 PRO A 96 14.009 15.185 0.984 1.00 0.00 H new ATOM 0 HD2 PRO A 96 11.699 13.812 1.428 1.00 0.00 H new ATOM 0 HD3 PRO A 96 12.280 15.016 2.561 1.00 0.00 H new ATOM 1391 N PRO A 97 10.714 17.635 -1.977 1.00 0.00 N ATOM 1392 CA PRO A 97 10.187 17.597 -3.345 1.00 0.00 C ATOM 1393 C PRO A 97 10.962 16.634 -4.238 1.00 0.00 C ATOM 1394 O PRO A 97 10.477 16.223 -5.292 1.00 0.00 O ATOM 1395 CB PRO A 97 10.363 19.037 -3.832 1.00 0.00 C ATOM 1396 CG PRO A 97 11.485 19.579 -3.016 1.00 0.00 C ATOM 1397 CD PRO A 97 11.380 18.912 -1.673 1.00 0.00 C ATOM 0 HA PRO A 97 9.156 17.245 -3.375 1.00 0.00 H new ATOM 0 HB2 PRO A 97 10.596 19.069 -4.896 1.00 0.00 H new ATOM 0 HB3 PRO A 97 9.452 19.618 -3.688 1.00 0.00 H new ATOM 0 HG2 PRO A 97 12.446 19.366 -3.484 1.00 0.00 H new ATOM 0 HG3 PRO A 97 11.410 20.662 -2.921 1.00 0.00 H new ATOM 0 HD2 PRO A 97 12.361 18.757 -1.224 1.00 0.00 H new ATOM 0 HD3 PRO A 97 10.799 19.511 -0.971 1.00 0.00 H new ATOM 1405 N VAL A 98 12.168 16.277 -3.810 1.00 0.00 N ATOM 1406 CA VAL A 98 13.010 15.361 -4.570 1.00 0.00 C ATOM 1407 C VAL A 98 12.624 13.910 -4.302 1.00 0.00 C ATOM 1408 O VAL A 98 12.806 13.040 -5.154 1.00 0.00 O ATOM 1409 CB VAL A 98 14.500 15.555 -4.232 1.00 0.00 C ATOM 1410 CG1 VAL A 98 14.719 15.494 -2.728 1.00 0.00 C ATOM 1411 CG2 VAL A 98 15.348 14.513 -4.945 1.00 0.00 C ATOM 0 H VAL A 98 12.585 16.608 -2.940 1.00 0.00 H new ATOM 0 HA VAL A 98 12.853 15.588 -5.624 1.00 0.00 H new ATOM 0 HB VAL A 98 14.808 16.541 -4.580 1.00 0.00 H new ATOM 0 HG11 VAL A 98 15.778 15.633 -2.509 1.00 0.00 H new ATOM 0 HG12 VAL A 98 14.142 16.282 -2.244 1.00 0.00 H new ATOM 0 HG13 VAL A 98 14.395 14.523 -2.352 1.00 0.00 H new ATOM 0 HG21 VAL A 98 16.398 14.665 -4.695 1.00 0.00 H new ATOM 0 HG22 VAL A 98 15.041 13.516 -4.630 1.00 0.00 H new ATOM 0 HG23 VAL A 98 15.214 14.610 -6.022 1.00 0.00 H new ATOM 1421 N LYS A 99 12.090 13.656 -3.113 1.00 0.00 N ATOM 1422 CA LYS A 99 11.676 12.311 -2.731 1.00 0.00 C ATOM 1423 C LYS A 99 10.185 12.109 -2.982 1.00 0.00 C ATOM 1424 O LYS A 99 9.560 11.224 -2.394 1.00 0.00 O ATOM 1425 CB LYS A 99 11.995 12.056 -1.256 1.00 0.00 C ATOM 1426 CG LYS A 99 13.482 12.057 -0.947 1.00 0.00 C ATOM 1427 CD LYS A 99 14.229 11.042 -1.796 1.00 0.00 C ATOM 1428 CE LYS A 99 15.702 10.979 -1.422 1.00 0.00 C ATOM 1429 NZ LYS A 99 15.905 10.408 -0.062 1.00 0.00 N ATOM 0 H LYS A 99 11.933 14.365 -2.396 1.00 0.00 H new ATOM 0 HA LYS A 99 12.230 11.600 -3.344 1.00 0.00 H new ATOM 0 HB2 LYS A 99 11.506 12.819 -0.650 1.00 0.00 H new ATOM 0 HB3 LYS A 99 11.572 11.095 -0.962 1.00 0.00 H new ATOM 0 HG2 LYS A 99 13.891 13.052 -1.124 1.00 0.00 H new ATOM 0 HG3 LYS A 99 13.635 11.833 0.109 1.00 0.00 H new ATOM 0 HD2 LYS A 99 13.778 10.058 -1.669 1.00 0.00 H new ATOM 0 HD3 LYS A 99 14.131 11.304 -2.849 1.00 0.00 H new ATOM 0 HE2 LYS A 99 16.237 10.373 -2.154 1.00 0.00 H new ATOM 0 HE3 LYS A 99 16.130 11.981 -1.463 1.00 0.00 H new ATOM 0 HZ1 LYS A 99 16.913 10.193 0.077 1.00 0.00 H new ATOM 0 HZ2 LYS A 99 15.596 11.097 0.653 1.00 0.00 H new ATOM 0 HZ3 LYS A 99 15.348 9.535 0.035 1.00 0.00 H new ATOM 1443 N LEU A 100 9.620 12.932 -3.858 1.00 0.00 N ATOM 1444 CA LEU A 100 8.202 12.843 -4.187 1.00 0.00 C ATOM 1445 C LEU A 100 7.855 11.460 -4.730 1.00 0.00 C ATOM 1446 O LEU A 100 6.829 10.881 -4.373 1.00 0.00 O ATOM 1447 CB LEU A 100 7.828 13.915 -5.213 1.00 0.00 C ATOM 1448 CG LEU A 100 7.436 15.279 -4.646 1.00 0.00 C ATOM 1449 CD1 LEU A 100 7.378 16.321 -5.752 1.00 0.00 C ATOM 1450 CD2 LEU A 100 6.099 15.192 -3.923 1.00 0.00 C ATOM 0 H LEU A 100 10.122 13.669 -4.353 1.00 0.00 H new ATOM 0 HA LEU A 100 7.631 13.008 -3.273 1.00 0.00 H new ATOM 0 HB2 LEU A 100 8.673 14.054 -5.888 1.00 0.00 H new ATOM 0 HB3 LEU A 100 6.998 13.541 -5.813 1.00 0.00 H new ATOM 0 HG LEU A 100 8.197 15.584 -3.927 1.00 0.00 H new ATOM 0 HD11 LEU A 100 7.097 17.285 -5.329 1.00 0.00 H new ATOM 0 HD12 LEU A 100 8.356 16.403 -6.226 1.00 0.00 H new ATOM 0 HD13 LEU A 100 6.639 16.022 -6.495 1.00 0.00 H new ATOM 0 HD21 LEU A 100 5.836 16.172 -3.526 1.00 0.00 H new ATOM 0 HD22 LEU A 100 5.329 14.864 -4.621 1.00 0.00 H new ATOM 0 HD23 LEU A 100 6.174 14.477 -3.104 1.00 0.00 H new ATOM 1462 N HIS A 101 8.719 10.935 -5.594 1.00 0.00 N ATOM 1463 CA HIS A 101 8.505 9.619 -6.184 1.00 0.00 C ATOM 1464 C HIS A 101 7.903 8.657 -5.164 1.00 0.00 C ATOM 1465 O HIS A 101 7.067 7.819 -5.504 1.00 0.00 O ATOM 1466 CB HIS A 101 9.823 9.056 -6.716 1.00 0.00 C ATOM 1467 CG HIS A 101 10.781 8.651 -5.638 1.00 0.00 C ATOM 1468 ND1 HIS A 101 11.547 9.556 -4.934 1.00 0.00 N ATOM 1469 CD2 HIS A 101 11.094 7.431 -5.144 1.00 0.00 C ATOM 1470 CE1 HIS A 101 12.291 8.910 -4.054 1.00 0.00 C ATOM 1471 NE2 HIS A 101 12.034 7.619 -4.161 1.00 0.00 N ATOM 0 H HIS A 101 9.573 11.401 -5.900 1.00 0.00 H new ATOM 0 HA HIS A 101 7.804 9.729 -7.011 1.00 0.00 H new ATOM 0 HB2 HIS A 101 9.611 8.192 -7.346 1.00 0.00 H new ATOM 0 HB3 HIS A 101 10.298 9.804 -7.350 1.00 0.00 H new ATOM 0 HD1 HIS A 101 11.540 10.567 -5.071 1.00 0.00 H new ATOM 0 HD2 HIS A 101 10.681 6.485 -5.463 1.00 0.00 H new ATOM 0 HE1 HIS A 101 12.990 9.361 -3.365 1.00 0.00 H new ATOM 1479 N CYS A 102 8.333 8.784 -3.913 1.00 0.00 N ATOM 1480 CA CYS A 102 7.837 7.925 -2.843 1.00 0.00 C ATOM 1481 C CYS A 102 6.350 8.163 -2.601 1.00 0.00 C ATOM 1482 O CYS A 102 5.538 7.245 -2.715 1.00 0.00 O ATOM 1483 CB CYS A 102 8.622 8.175 -1.555 1.00 0.00 C ATOM 1484 SG CYS A 102 10.369 7.718 -1.655 1.00 0.00 S ATOM 0 H CYS A 102 9.024 9.473 -3.615 1.00 0.00 H new ATOM 0 HA CYS A 102 7.976 6.888 -3.149 1.00 0.00 H new ATOM 0 HB2 CYS A 102 8.548 9.231 -1.296 1.00 0.00 H new ATOM 0 HB3 CYS A 102 8.157 7.615 -0.744 1.00 0.00 H new ATOM 0 HG CYS A 102 10.678 7.452 -2.889 1.00 0.00 H new ATOM 1490 N SER A 103 6.001 9.400 -2.263 1.00 0.00 N ATOM 1491 CA SER A 103 4.612 9.757 -1.999 1.00 0.00 C ATOM 1492 C SER A 103 3.677 9.080 -2.996 1.00 0.00 C ATOM 1493 O SER A 103 2.781 8.329 -2.612 1.00 0.00 O ATOM 1494 CB SER A 103 4.432 11.275 -2.064 1.00 0.00 C ATOM 1495 OG SER A 103 4.544 11.745 -3.396 1.00 0.00 O ATOM 0 H SER A 103 6.661 10.172 -2.165 1.00 0.00 H new ATOM 0 HA SER A 103 4.359 9.410 -0.997 1.00 0.00 H new ATOM 0 HB2 SER A 103 3.457 11.546 -1.660 1.00 0.00 H new ATOM 0 HB3 SER A 103 5.182 11.760 -1.439 1.00 0.00 H new ATOM 0 HG SER A 103 5.411 11.477 -3.766 1.00 0.00 H new ATOM 1501 N MET A 104 3.894 9.351 -4.279 1.00 0.00 N ATOM 1502 CA MET A 104 3.072 8.767 -5.333 1.00 0.00 C ATOM 1503 C MET A 104 3.149 7.244 -5.301 1.00 0.00 C ATOM 1504 O MET A 104 2.133 6.558 -5.423 1.00 0.00 O ATOM 1505 CB MET A 104 3.518 9.283 -6.702 1.00 0.00 C ATOM 1506 CG MET A 104 4.998 9.074 -6.978 1.00 0.00 C ATOM 1507 SD MET A 104 5.579 10.013 -8.403 1.00 0.00 S ATOM 1508 CE MET A 104 5.574 11.676 -7.737 1.00 0.00 C ATOM 0 H MET A 104 4.632 9.971 -4.614 1.00 0.00 H new ATOM 0 HA MET A 104 2.038 9.065 -5.160 1.00 0.00 H new ATOM 0 HB2 MET A 104 2.938 8.781 -7.477 1.00 0.00 H new ATOM 0 HB3 MET A 104 3.290 10.347 -6.772 1.00 0.00 H new ATOM 0 HG2 MET A 104 5.572 9.364 -6.098 1.00 0.00 H new ATOM 0 HG3 MET A 104 5.186 8.013 -7.146 1.00 0.00 H new ATOM 0 HE1 MET A 104 4.901 12.301 -8.324 1.00 0.00 H new ATOM 0 HE2 MET A 104 5.235 11.652 -6.701 1.00 0.00 H new ATOM 0 HE3 MET A 104 6.582 12.088 -7.780 1.00 0.00 H new ATOM 1518 N LEU A 105 4.359 6.720 -5.138 1.00 0.00 N ATOM 1519 CA LEU A 105 4.569 5.277 -5.090 1.00 0.00 C ATOM 1520 C LEU A 105 3.576 4.614 -4.142 1.00 0.00 C ATOM 1521 O LEU A 105 3.033 3.551 -4.440 1.00 0.00 O ATOM 1522 CB LEU A 105 6.000 4.964 -4.650 1.00 0.00 C ATOM 1523 CG LEU A 105 6.533 3.583 -5.033 1.00 0.00 C ATOM 1524 CD1 LEU A 105 6.803 3.510 -6.527 1.00 0.00 C ATOM 1525 CD2 LEU A 105 7.794 3.261 -4.244 1.00 0.00 C ATOM 0 H LEU A 105 5.210 7.273 -5.037 1.00 0.00 H new ATOM 0 HA LEU A 105 4.409 4.878 -6.091 1.00 0.00 H new ATOM 0 HB2 LEU A 105 6.663 5.718 -5.075 1.00 0.00 H new ATOM 0 HB3 LEU A 105 6.056 5.065 -3.566 1.00 0.00 H new ATOM 0 HG LEU A 105 5.774 2.840 -4.786 1.00 0.00 H new ATOM 0 HD11 LEU A 105 7.182 2.520 -6.780 1.00 0.00 H new ATOM 0 HD12 LEU A 105 5.878 3.696 -7.073 1.00 0.00 H new ATOM 0 HD13 LEU A 105 7.543 4.262 -6.800 1.00 0.00 H new ATOM 0 HD21 LEU A 105 8.160 2.275 -4.529 1.00 0.00 H new ATOM 0 HD22 LEU A 105 8.558 4.008 -4.459 1.00 0.00 H new ATOM 0 HD23 LEU A 105 7.568 3.270 -3.178 1.00 0.00 H new ATOM 1537 N ALA A 106 3.342 5.250 -2.998 1.00 0.00 N ATOM 1538 CA ALA A 106 2.411 4.724 -2.008 1.00 0.00 C ATOM 1539 C ALA A 106 0.990 4.681 -2.558 1.00 0.00 C ATOM 1540 O ALA A 106 0.340 3.637 -2.541 1.00 0.00 O ATOM 1541 CB ALA A 106 2.463 5.560 -0.738 1.00 0.00 C ATOM 0 H ALA A 106 3.785 6.130 -2.735 1.00 0.00 H new ATOM 0 HA ALA A 106 2.711 3.703 -1.770 1.00 0.00 H new ATOM 0 HB1 ALA A 106 1.763 5.156 -0.007 1.00 0.00 H new ATOM 0 HB2 ALA A 106 3.472 5.534 -0.326 1.00 0.00 H new ATOM 0 HB3 ALA A 106 2.192 6.590 -0.969 1.00 0.00 H new ATOM 1547 N GLU A 107 0.514 5.823 -3.045 1.00 0.00 N ATOM 1548 CA GLU A 107 -0.831 5.915 -3.599 1.00 0.00 C ATOM 1549 C GLU A 107 -1.048 4.861 -4.680 1.00 0.00 C ATOM 1550 O GLU A 107 -2.025 4.112 -4.646 1.00 0.00 O ATOM 1551 CB GLU A 107 -1.075 7.311 -4.176 1.00 0.00 C ATOM 1552 CG GLU A 107 -2.504 7.537 -4.641 1.00 0.00 C ATOM 1553 CD GLU A 107 -2.614 8.640 -5.675 1.00 0.00 C ATOM 1554 OE1 GLU A 107 -2.799 9.810 -5.278 1.00 0.00 O ATOM 1555 OE2 GLU A 107 -2.514 8.334 -6.881 1.00 0.00 O ATOM 0 H GLU A 107 1.040 6.697 -3.067 1.00 0.00 H new ATOM 0 HA GLU A 107 -1.541 5.734 -2.792 1.00 0.00 H new ATOM 0 HB2 GLU A 107 -0.826 8.056 -3.420 1.00 0.00 H new ATOM 0 HB3 GLU A 107 -0.399 7.471 -5.016 1.00 0.00 H new ATOM 0 HG2 GLU A 107 -2.896 6.611 -5.061 1.00 0.00 H new ATOM 0 HG3 GLU A 107 -3.126 7.786 -3.782 1.00 0.00 H new ATOM 1562 N ASP A 108 -0.130 4.809 -5.639 1.00 0.00 N ATOM 1563 CA ASP A 108 -0.219 3.846 -6.731 1.00 0.00 C ATOM 1564 C ASP A 108 -0.282 2.420 -6.194 1.00 0.00 C ATOM 1565 O ASP A 108 -1.043 1.591 -6.693 1.00 0.00 O ATOM 1566 CB ASP A 108 0.977 3.998 -7.672 1.00 0.00 C ATOM 1567 CG ASP A 108 0.781 5.112 -8.682 1.00 0.00 C ATOM 1568 OD1 ASP A 108 -0.347 5.252 -9.200 1.00 0.00 O ATOM 1569 OD2 ASP A 108 1.756 5.843 -8.954 1.00 0.00 O ATOM 0 H ASP A 108 0.684 5.422 -5.683 1.00 0.00 H new ATOM 0 HA ASP A 108 -1.135 4.047 -7.286 1.00 0.00 H new ATOM 0 HB2 ASP A 108 1.874 4.197 -7.086 1.00 0.00 H new ATOM 0 HB3 ASP A 108 1.143 3.058 -8.199 1.00 0.00 H new ATOM 1574 N ALA A 109 0.524 2.140 -5.176 1.00 0.00 N ATOM 1575 CA ALA A 109 0.560 0.814 -4.571 1.00 0.00 C ATOM 1576 C ALA A 109 -0.812 0.419 -4.034 1.00 0.00 C ATOM 1577 O ALA A 109 -1.292 -0.687 -4.286 1.00 0.00 O ATOM 1578 CB ALA A 109 1.596 0.769 -3.458 1.00 0.00 C ATOM 0 H ALA A 109 1.162 2.814 -4.752 1.00 0.00 H new ATOM 0 HA ALA A 109 0.841 0.097 -5.343 1.00 0.00 H new ATOM 0 HB1 ALA A 109 1.612 -0.227 -3.016 1.00 0.00 H new ATOM 0 HB2 ALA A 109 2.580 1.000 -3.867 1.00 0.00 H new ATOM 0 HB3 ALA A 109 1.340 1.502 -2.693 1.00 0.00 H new ATOM 1584 N ILE A 110 -1.438 1.328 -3.295 1.00 0.00 N ATOM 1585 CA ILE A 110 -2.754 1.074 -2.724 1.00 0.00 C ATOM 1586 C ILE A 110 -3.758 0.691 -3.806 1.00 0.00 C ATOM 1587 O ILE A 110 -4.291 -0.419 -3.811 1.00 0.00 O ATOM 1588 CB ILE A 110 -3.284 2.301 -1.959 1.00 0.00 C ATOM 1589 CG1 ILE A 110 -2.409 2.583 -0.736 1.00 0.00 C ATOM 1590 CG2 ILE A 110 -4.731 2.083 -1.544 1.00 0.00 C ATOM 1591 CD1 ILE A 110 -2.581 3.980 -0.180 1.00 0.00 C ATOM 0 H ILE A 110 -1.054 2.248 -3.078 1.00 0.00 H new ATOM 0 HA ILE A 110 -2.640 0.244 -2.027 1.00 0.00 H new ATOM 0 HB ILE A 110 -3.244 3.168 -2.619 1.00 0.00 H new ATOM 0 HG12 ILE A 110 -2.644 1.859 0.044 1.00 0.00 H new ATOM 0 HG13 ILE A 110 -1.363 2.434 -1.005 1.00 0.00 H new ATOM 0 HG21 ILE A 110 -5.091 2.959 -1.004 1.00 0.00 H new ATOM 0 HG22 ILE A 110 -5.344 1.926 -2.431 1.00 0.00 H new ATOM 0 HG23 ILE A 110 -4.796 1.207 -0.898 1.00 0.00 H new ATOM 0 HD11 ILE A 110 -1.931 4.110 0.685 1.00 0.00 H new ATOM 0 HD12 ILE A 110 -2.318 4.711 -0.945 1.00 0.00 H new ATOM 0 HD13 ILE A 110 -3.618 4.127 0.121 1.00 0.00 H new ATOM 1603 N LYS A 111 -4.012 1.617 -4.724 1.00 0.00 N ATOM 1604 CA LYS A 111 -4.949 1.378 -5.815 1.00 0.00 C ATOM 1605 C LYS A 111 -4.696 0.020 -6.462 1.00 0.00 C ATOM 1606 O LYS A 111 -5.606 -0.800 -6.581 1.00 0.00 O ATOM 1607 CB LYS A 111 -4.834 2.485 -6.866 1.00 0.00 C ATOM 1608 CG LYS A 111 -5.697 3.698 -6.568 1.00 0.00 C ATOM 1609 CD LYS A 111 -4.948 4.724 -5.734 1.00 0.00 C ATOM 1610 CE LYS A 111 -5.824 5.924 -5.408 1.00 0.00 C ATOM 1611 NZ LYS A 111 -5.761 6.963 -6.473 1.00 0.00 N ATOM 0 H LYS A 111 -3.581 2.542 -4.734 1.00 0.00 H new ATOM 0 HA LYS A 111 -5.957 1.382 -5.401 1.00 0.00 H new ATOM 0 HB2 LYS A 111 -3.793 2.799 -6.938 1.00 0.00 H new ATOM 0 HB3 LYS A 111 -5.113 2.081 -7.839 1.00 0.00 H new ATOM 0 HG2 LYS A 111 -6.020 4.154 -7.504 1.00 0.00 H new ATOM 0 HG3 LYS A 111 -6.597 3.384 -6.039 1.00 0.00 H new ATOM 0 HD2 LYS A 111 -4.604 4.261 -4.809 1.00 0.00 H new ATOM 0 HD3 LYS A 111 -4.061 5.056 -6.274 1.00 0.00 H new ATOM 0 HE2 LYS A 111 -6.856 5.596 -5.281 1.00 0.00 H new ATOM 0 HE3 LYS A 111 -5.508 6.357 -4.459 1.00 0.00 H new ATOM 0 HZ1 LYS A 111 -6.371 7.764 -6.213 1.00 0.00 H new ATOM 0 HZ2 LYS A 111 -4.781 7.294 -6.577 1.00 0.00 H new ATOM 0 HZ3 LYS A 111 -6.087 6.557 -7.373 1.00 0.00 H new ATOM 1625 N ALA A 112 -3.454 -0.211 -6.876 1.00 0.00 N ATOM 1626 CA ALA A 112 -3.082 -1.471 -7.507 1.00 0.00 C ATOM 1627 C ALA A 112 -3.633 -2.660 -6.728 1.00 0.00 C ATOM 1628 O ALA A 112 -4.132 -3.620 -7.314 1.00 0.00 O ATOM 1629 CB ALA A 112 -1.568 -1.573 -7.628 1.00 0.00 C ATOM 0 H ALA A 112 -2.689 0.458 -6.786 1.00 0.00 H new ATOM 0 HA ALA A 112 -3.519 -1.491 -8.506 1.00 0.00 H new ATOM 0 HB1 ALA A 112 -1.304 -2.519 -8.101 1.00 0.00 H new ATOM 0 HB2 ALA A 112 -1.195 -0.747 -8.234 1.00 0.00 H new ATOM 0 HB3 ALA A 112 -1.120 -1.526 -6.636 1.00 0.00 H new ATOM 1635 N ALA A 113 -3.540 -2.588 -5.404 1.00 0.00 N ATOM 1636 CA ALA A 113 -4.032 -3.658 -4.545 1.00 0.00 C ATOM 1637 C ALA A 113 -5.518 -3.909 -4.776 1.00 0.00 C ATOM 1638 O ALA A 113 -5.904 -4.924 -5.357 1.00 0.00 O ATOM 1639 CB ALA A 113 -3.772 -3.323 -3.084 1.00 0.00 C ATOM 0 H ALA A 113 -3.129 -1.800 -4.903 1.00 0.00 H new ATOM 0 HA ALA A 113 -3.493 -4.571 -4.799 1.00 0.00 H new ATOM 0 HB1 ALA A 113 -4.144 -4.131 -2.454 1.00 0.00 H new ATOM 0 HB2 ALA A 113 -2.701 -3.202 -2.924 1.00 0.00 H new ATOM 0 HB3 ALA A 113 -4.284 -2.396 -2.827 1.00 0.00 H new ATOM 1645 N LEU A 114 -6.348 -2.979 -4.317 1.00 0.00 N ATOM 1646 CA LEU A 114 -7.794 -3.100 -4.473 1.00 0.00 C ATOM 1647 C LEU A 114 -8.155 -3.517 -5.895 1.00 0.00 C ATOM 1648 O LEU A 114 -8.820 -4.531 -6.104 1.00 0.00 O ATOM 1649 CB LEU A 114 -8.476 -1.775 -4.129 1.00 0.00 C ATOM 1650 CG LEU A 114 -8.067 -1.134 -2.802 1.00 0.00 C ATOM 1651 CD1 LEU A 114 -7.740 -2.203 -1.771 1.00 0.00 C ATOM 1652 CD2 LEU A 114 -6.881 -0.203 -3.003 1.00 0.00 C ATOM 0 H LEU A 114 -6.045 -2.133 -3.834 1.00 0.00 H new ATOM 0 HA LEU A 114 -8.146 -3.871 -3.788 1.00 0.00 H new ATOM 0 HB2 LEU A 114 -8.271 -1.065 -4.931 1.00 0.00 H new ATOM 0 HB3 LEU A 114 -9.554 -1.937 -4.114 1.00 0.00 H new ATOM 0 HG LEU A 114 -8.906 -0.546 -2.431 1.00 0.00 H new ATOM 0 HD11 LEU A 114 -7.451 -1.728 -0.833 1.00 0.00 H new ATOM 0 HD12 LEU A 114 -8.617 -2.829 -1.606 1.00 0.00 H new ATOM 0 HD13 LEU A 114 -6.917 -2.819 -2.134 1.00 0.00 H new ATOM 0 HD21 LEU A 114 -6.604 0.244 -2.048 1.00 0.00 H new ATOM 0 HD22 LEU A 114 -6.037 -0.769 -3.397 1.00 0.00 H new ATOM 0 HD23 LEU A 114 -7.151 0.584 -3.707 1.00 0.00 H new ATOM 1664 N ALA A 115 -7.709 -2.730 -6.868 1.00 0.00 N ATOM 1665 CA ALA A 115 -7.982 -3.020 -8.270 1.00 0.00 C ATOM 1666 C ALA A 115 -7.755 -4.496 -8.580 1.00 0.00 C ATOM 1667 O ALA A 115 -8.692 -5.220 -8.916 1.00 0.00 O ATOM 1668 CB ALA A 115 -7.113 -2.151 -9.168 1.00 0.00 C ATOM 0 H ALA A 115 -7.157 -1.887 -6.711 1.00 0.00 H new ATOM 0 HA ALA A 115 -9.030 -2.791 -8.465 1.00 0.00 H new ATOM 0 HB1 ALA A 115 -7.327 -2.378 -10.212 1.00 0.00 H new ATOM 0 HB2 ALA A 115 -7.327 -1.100 -8.974 1.00 0.00 H new ATOM 0 HB3 ALA A 115 -6.062 -2.352 -8.962 1.00 0.00 H new ATOM 1674 N ASP A 116 -6.507 -4.935 -8.465 1.00 0.00 N ATOM 1675 CA ASP A 116 -6.157 -6.325 -8.732 1.00 0.00 C ATOM 1676 C ASP A 116 -7.158 -7.272 -8.077 1.00 0.00 C ATOM 1677 O ASP A 116 -7.656 -8.201 -8.713 1.00 0.00 O ATOM 1678 CB ASP A 116 -4.745 -6.625 -8.226 1.00 0.00 C ATOM 1679 CG ASP A 116 -3.684 -6.347 -9.272 1.00 0.00 C ATOM 1680 OD1 ASP A 116 -3.995 -6.457 -10.477 1.00 0.00 O ATOM 1681 OD2 ASP A 116 -2.543 -6.020 -8.886 1.00 0.00 O ATOM 0 H ASP A 116 -5.720 -4.348 -8.188 1.00 0.00 H new ATOM 0 HA ASP A 116 -6.188 -6.481 -9.810 1.00 0.00 H new ATOM 0 HB2 ASP A 116 -4.544 -6.023 -7.340 1.00 0.00 H new ATOM 0 HB3 ASP A 116 -4.686 -7.670 -7.921 1.00 0.00 H new ATOM 1686 N TYR A 117 -7.446 -7.032 -6.803 1.00 0.00 N ATOM 1687 CA TYR A 117 -8.384 -7.865 -6.061 1.00 0.00 C ATOM 1688 C TYR A 117 -9.745 -7.898 -6.748 1.00 0.00 C ATOM 1689 O TYR A 117 -10.387 -8.945 -6.832 1.00 0.00 O ATOM 1690 CB TYR A 117 -8.535 -7.349 -4.629 1.00 0.00 C ATOM 1691 CG TYR A 117 -9.897 -7.616 -4.029 1.00 0.00 C ATOM 1692 CD1 TYR A 117 -10.175 -8.821 -3.397 1.00 0.00 C ATOM 1693 CD2 TYR A 117 -10.905 -6.662 -4.094 1.00 0.00 C ATOM 1694 CE1 TYR A 117 -11.419 -9.070 -2.849 1.00 0.00 C ATOM 1695 CE2 TYR A 117 -12.151 -6.902 -3.547 1.00 0.00 C ATOM 1696 CZ TYR A 117 -12.403 -8.107 -2.926 1.00 0.00 C ATOM 1697 OH TYR A 117 -13.642 -8.350 -2.380 1.00 0.00 O ATOM 0 H TYR A 117 -7.043 -6.267 -6.262 1.00 0.00 H new ATOM 0 HA TYR A 117 -7.986 -8.880 -6.034 1.00 0.00 H new ATOM 0 HB2 TYR A 117 -7.774 -7.814 -4.002 1.00 0.00 H new ATOM 0 HB3 TYR A 117 -8.346 -6.276 -4.617 1.00 0.00 H new ATOM 0 HD1 TYR A 117 -9.406 -9.576 -3.333 1.00 0.00 H new ATOM 0 HD2 TYR A 117 -10.711 -5.717 -4.580 1.00 0.00 H new ATOM 0 HE1 TYR A 117 -11.619 -10.014 -2.363 1.00 0.00 H new ATOM 0 HE2 TYR A 117 -12.924 -6.150 -3.606 1.00 0.00 H new ATOM 0 HH TYR A 117 -14.097 -9.046 -2.898 1.00 0.00 H new ATOM 1707 N LYS A 118 -10.180 -6.743 -7.239 1.00 0.00 N ATOM 1708 CA LYS A 118 -11.465 -6.636 -7.922 1.00 0.00 C ATOM 1709 C LYS A 118 -11.452 -7.420 -9.230 1.00 0.00 C ATOM 1710 O LYS A 118 -12.403 -8.136 -9.546 1.00 0.00 O ATOM 1711 CB LYS A 118 -11.799 -5.168 -8.197 1.00 0.00 C ATOM 1712 CG LYS A 118 -12.129 -4.374 -6.945 1.00 0.00 C ATOM 1713 CD LYS A 118 -11.777 -2.905 -7.108 1.00 0.00 C ATOM 1714 CE LYS A 118 -11.582 -2.226 -5.760 1.00 0.00 C ATOM 1715 NZ LYS A 118 -12.854 -1.654 -5.239 1.00 0.00 N ATOM 0 H LYS A 118 -9.662 -5.867 -7.177 1.00 0.00 H new ATOM 0 HA LYS A 118 -12.231 -7.060 -7.272 1.00 0.00 H new ATOM 0 HB2 LYS A 118 -10.954 -4.700 -8.701 1.00 0.00 H new ATOM 0 HB3 LYS A 118 -12.646 -5.119 -8.882 1.00 0.00 H new ATOM 0 HG2 LYS A 118 -13.191 -4.472 -6.720 1.00 0.00 H new ATOM 0 HG3 LYS A 118 -11.584 -4.788 -6.096 1.00 0.00 H new ATOM 0 HD2 LYS A 118 -10.866 -2.811 -7.699 1.00 0.00 H new ATOM 0 HD3 LYS A 118 -12.569 -2.399 -7.660 1.00 0.00 H new ATOM 0 HE2 LYS A 118 -11.188 -2.947 -5.044 1.00 0.00 H new ATOM 0 HE3 LYS A 118 -10.840 -1.434 -5.856 1.00 0.00 H new ATOM 0 HZ1 LYS A 118 -12.667 -1.142 -4.353 1.00 0.00 H new ATOM 0 HZ2 LYS A 118 -13.253 -0.998 -5.941 1.00 0.00 H new ATOM 0 HZ3 LYS A 118 -13.532 -2.422 -5.059 1.00 0.00 H new ATOM 1729 N LEU A 119 -10.369 -7.281 -9.987 1.00 0.00 N ATOM 1730 CA LEU A 119 -10.232 -7.978 -11.261 1.00 0.00 C ATOM 1731 C LEU A 119 -10.696 -9.426 -11.143 1.00 0.00 C ATOM 1732 O LEU A 119 -11.390 -9.941 -12.020 1.00 0.00 O ATOM 1733 CB LEU A 119 -8.778 -7.933 -11.736 1.00 0.00 C ATOM 1734 CG LEU A 119 -8.143 -6.545 -11.823 1.00 0.00 C ATOM 1735 CD1 LEU A 119 -6.869 -6.592 -12.651 1.00 0.00 C ATOM 1736 CD2 LEU A 119 -9.127 -5.544 -12.412 1.00 0.00 C ATOM 0 H LEU A 119 -9.573 -6.692 -9.741 1.00 0.00 H new ATOM 0 HA LEU A 119 -10.863 -7.473 -11.993 1.00 0.00 H new ATOM 0 HB2 LEU A 119 -8.177 -8.544 -11.062 1.00 0.00 H new ATOM 0 HB3 LEU A 119 -8.724 -8.398 -12.720 1.00 0.00 H new ATOM 0 HG LEU A 119 -7.885 -6.221 -10.815 1.00 0.00 H new ATOM 0 HD11 LEU A 119 -6.431 -5.595 -12.702 1.00 0.00 H new ATOM 0 HD12 LEU A 119 -6.159 -7.277 -12.188 1.00 0.00 H new ATOM 0 HD13 LEU A 119 -7.102 -6.938 -13.658 1.00 0.00 H new ATOM 0 HD21 LEU A 119 -8.658 -4.562 -12.466 1.00 0.00 H new ATOM 0 HD22 LEU A 119 -9.416 -5.864 -13.413 1.00 0.00 H new ATOM 0 HD23 LEU A 119 -10.013 -5.489 -11.779 1.00 0.00 H new ATOM 1748 N LYS A 120 -10.309 -10.078 -10.051 1.00 0.00 N ATOM 1749 CA LYS A 120 -10.687 -11.467 -9.815 1.00 0.00 C ATOM 1750 C LYS A 120 -12.176 -11.579 -9.500 1.00 0.00 C ATOM 1751 O LYS A 120 -12.859 -12.470 -10.003 1.00 0.00 O ATOM 1752 CB LYS A 120 -9.866 -12.051 -8.663 1.00 0.00 C ATOM 1753 CG LYS A 120 -8.452 -11.502 -8.584 1.00 0.00 C ATOM 1754 CD LYS A 120 -7.480 -12.539 -8.047 1.00 0.00 C ATOM 1755 CE LYS A 120 -6.977 -13.456 -9.151 1.00 0.00 C ATOM 1756 NZ LYS A 120 -6.078 -14.519 -8.622 1.00 0.00 N ATOM 0 H LYS A 120 -9.734 -9.667 -9.316 1.00 0.00 H new ATOM 0 HA LYS A 120 -10.482 -12.033 -10.723 1.00 0.00 H new ATOM 0 HB2 LYS A 120 -10.379 -11.847 -7.723 1.00 0.00 H new ATOM 0 HB3 LYS A 120 -9.820 -13.134 -8.773 1.00 0.00 H new ATOM 0 HG2 LYS A 120 -8.130 -11.179 -9.574 1.00 0.00 H new ATOM 0 HG3 LYS A 120 -8.438 -10.622 -7.941 1.00 0.00 H new ATOM 0 HD2 LYS A 120 -6.635 -12.037 -7.576 1.00 0.00 H new ATOM 0 HD3 LYS A 120 -7.969 -13.132 -7.275 1.00 0.00 H new ATOM 0 HE2 LYS A 120 -7.826 -13.917 -9.656 1.00 0.00 H new ATOM 0 HE3 LYS A 120 -6.444 -12.867 -9.897 1.00 0.00 H new ATOM 0 HZ1 LYS A 120 -5.756 -15.123 -9.405 1.00 0.00 H new ATOM 0 HZ2 LYS A 120 -5.255 -14.080 -8.162 1.00 0.00 H new ATOM 0 HZ3 LYS A 120 -6.594 -15.097 -7.929 1.00 0.00 H new ATOM 1770 N GLN A 121 -12.670 -10.669 -8.667 1.00 0.00 N ATOM 1771 CA GLN A 121 -14.078 -10.667 -8.287 1.00 0.00 C ATOM 1772 C GLN A 121 -14.971 -10.471 -9.508 1.00 0.00 C ATOM 1773 O GLN A 121 -16.059 -11.040 -9.590 1.00 0.00 O ATOM 1774 CB GLN A 121 -14.349 -9.566 -7.260 1.00 0.00 C ATOM 1775 CG GLN A 121 -13.387 -9.582 -6.083 1.00 0.00 C ATOM 1776 CD GLN A 121 -13.722 -10.658 -5.070 1.00 0.00 C ATOM 1777 OE1 GLN A 121 -14.630 -10.498 -4.254 1.00 0.00 O ATOM 1778 NE2 GLN A 121 -12.988 -11.764 -5.116 1.00 0.00 N ATOM 0 H GLN A 121 -12.117 -9.924 -8.243 1.00 0.00 H new ATOM 0 HA GLN A 121 -14.310 -11.635 -7.842 1.00 0.00 H new ATOM 0 HB2 GLN A 121 -14.289 -8.597 -7.755 1.00 0.00 H new ATOM 0 HB3 GLN A 121 -15.368 -9.671 -6.887 1.00 0.00 H new ATOM 0 HG2 GLN A 121 -12.372 -9.737 -6.450 1.00 0.00 H new ATOM 0 HG3 GLN A 121 -13.403 -8.609 -5.592 1.00 0.00 H new ATOM 0 HE21 GLN A 121 -12.245 -11.855 -5.809 1.00 0.00 H new ATOM 0 HE22 GLN A 121 -13.167 -12.523 -4.458 1.00 0.00 H new