USER MOD reduce.3.24.130724 H: found=0, std=0, add=772, rem=0, adj=25 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 33 CYS SG : rot -93:sc= 0.108 USER MOD Set 1.2: A 59 CYS SG : rot 119:sc= 0.478 USER MOD Set 1.3: A 61 SER OG : rot 99:sc= 2.02 USER MOD Set 1.4: A 101 HIS : no HD1:sc= -2.14! C(o=-2.4!,f=-6.5!) USER MOD Set 1.5: A 102 CYS SG : rot 21:sc= -2.91! USER MOD Set 2.1: A 37 MET CE :methyl 145:sc= -3.26! (180deg=-4.14!) USER MOD Set 2.2: A 56 THR OG1 : rot -131:sc= 0.132 USER MOD Set 2.3: A 66 SER OG : rot 84:sc= 0.221 USER MOD Single : A 22 ASN :FLIP amide:sc= -0.388 F(o=-1.4,f=-0.39) USER MOD Single : A 25 THR OG1 : rot 180:sc= 0 USER MOD Single : A 38 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 40 GLN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 42 GLN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 46 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 48 LYS NZ :NH3+ -173:sc= 0 (180deg=-0.0136) USER MOD Single : A 55 LYS NZ :NH3+ -130:sc= -1.43 (180deg=-3.9!) USER MOD Single : A 65 SER OG : rot 180:sc= 0 USER MOD Single : A 67 SER OG : rot -64:sc= 1.19 USER MOD Single : A 70 THR OG1 : rot -140:sc= 0 USER MOD Single : A 74 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 76 LYS NZ :NH3+ 151:sc= -2.71! (180deg=-4.38!) USER MOD Single : A 77 THR OG1 : rot 180:sc= -0.692 USER MOD Single : A 83 THR OG1 : rot -43:sc= 1.19 USER MOD Single : A 85 LYS NZ :NH3+ -166:sc= 0.992 (180deg=0.855) USER MOD Single : A 86 ASN : amide:sc= -2.18! C(o=-2.2!,f=-4.4!) 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 16:sc= 0.952 USER MOD Single : A 99 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 103 SER OG : rot -28:sc= 0.984 USER MOD Single : A 104 MET CE :methyl 141:sc= -0.163 (180deg=-0.848) USER MOD Single : A 111 LYS NZ :NH3+ 142:sc= 0.275 (180deg=-0.171) USER MOD Single : A 117 TYR OH : rot 180:sc= -0.0225 USER MOD Single : A 118 LYS NZ :NH3+ -175:sc= 0 (180deg=-0.0489) USER MOD Single : A 120 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 121 GLN : amide:sc= -0.0149 X(o=-0.015,f=-0.015) USER MOD ----------------------------------------------------------------- ATOM 281 N ASN A 22 -9.196 -13.169 -2.494 1.00 0.00 N ATOM 282 CA ASN A 22 -9.667 -12.263 -1.452 1.00 0.00 C ATOM 283 C ASN A 22 -8.602 -11.226 -1.111 1.00 0.00 C ATOM 284 O ASN A 22 -8.915 -10.123 -0.663 1.00 0.00 O ATOM 285 CB ASN A 22 -10.048 -13.051 -0.197 1.00 0.00 C ATOM 286 CG ASN A 22 -8.976 -14.044 0.209 1.00 0.00 C ATOM 287 OD1 ASN A 22 -7.974 -13.568 0.938 1.00 0.00 O flip ATOM 288 ND2 ASN A 22 -9.049 -15.226 -0.129 1.00 0.00 N flip ATOM 0 HA ASN A 22 -10.548 -11.743 -1.828 1.00 0.00 H new ATOM 0 HB2 ASN A 22 -10.227 -12.357 0.624 1.00 0.00 H new ATOM 0 HB3 ASN A 22 -10.983 -13.582 -0.375 1.00 0.00 H new ATOM 0 HD21 ASN A 22 -9.838 -15.548 -0.690 1.00 0.00 H new ATOM 0 HD22 ASN A 22 -8.321 -15.883 0.152 1.00 0.00 H new ATOM 295 N VAL A 23 -7.341 -11.587 -1.328 1.00 0.00 N ATOM 296 CA VAL A 23 -6.229 -10.687 -1.045 1.00 0.00 C ATOM 297 C VAL A 23 -5.520 -10.270 -2.329 1.00 0.00 C ATOM 298 O VAL A 23 -4.946 -11.101 -3.032 1.00 0.00 O ATOM 299 CB VAL A 23 -5.207 -11.339 -0.095 1.00 0.00 C ATOM 300 CG1 VAL A 23 -5.032 -12.812 -0.429 1.00 0.00 C ATOM 301 CG2 VAL A 23 -3.875 -10.606 -0.162 1.00 0.00 C ATOM 0 H VAL A 23 -7.064 -12.496 -1.699 1.00 0.00 H new ATOM 0 HA VAL A 23 -6.650 -9.805 -0.563 1.00 0.00 H new ATOM 0 HB VAL A 23 -5.585 -11.265 0.925 1.00 0.00 H new ATOM 0 HG11 VAL A 23 -4.306 -13.256 0.252 1.00 0.00 H new ATOM 0 HG12 VAL A 23 -5.988 -13.325 -0.325 1.00 0.00 H new ATOM 0 HG13 VAL A 23 -4.676 -12.913 -1.454 1.00 0.00 H new ATOM 0 HG21 VAL A 23 -3.165 -11.080 0.515 1.00 0.00 H new ATOM 0 HG22 VAL A 23 -3.488 -10.647 -1.180 1.00 0.00 H new ATOM 0 HG23 VAL A 23 -4.017 -9.566 0.131 1.00 0.00 H new ATOM 311 N GLY A 24 -5.562 -8.976 -2.629 1.00 0.00 N ATOM 312 CA GLY A 24 -4.920 -8.470 -3.828 1.00 0.00 C ATOM 313 C GLY A 24 -3.432 -8.251 -3.639 1.00 0.00 C ATOM 314 O GLY A 24 -2.925 -8.305 -2.518 1.00 0.00 O ATOM 0 H GLY A 24 -6.030 -8.268 -2.063 1.00 0.00 H new ATOM 0 HA2 GLY A 24 -5.080 -9.172 -4.646 1.00 0.00 H new ATOM 0 HA3 GLY A 24 -5.389 -7.530 -4.119 1.00 0.00 H new ATOM 318 N THR A 25 -2.727 -8.004 -4.739 1.00 0.00 N ATOM 319 CA THR A 25 -1.288 -7.778 -4.691 1.00 0.00 C ATOM 320 C THR A 25 -0.884 -6.612 -5.586 1.00 0.00 C ATOM 321 O THR A 25 -0.852 -6.737 -6.809 1.00 0.00 O ATOM 322 CB THR A 25 -0.508 -9.035 -5.121 1.00 0.00 C ATOM 323 OG1 THR A 25 -0.985 -10.177 -4.402 1.00 0.00 O ATOM 324 CG2 THR A 25 0.982 -8.858 -4.870 1.00 0.00 C ATOM 0 H THR A 25 -3.130 -7.955 -5.675 1.00 0.00 H new ATOM 0 HA THR A 25 -1.039 -7.541 -3.657 1.00 0.00 H new ATOM 0 HB THR A 25 -0.666 -9.187 -6.189 1.00 0.00 H new ATOM 0 HG1 THR A 25 -0.485 -10.972 -4.682 1.00 0.00 H new ATOM 0 HG21 THR A 25 1.513 -9.758 -5.181 1.00 0.00 H new ATOM 0 HG22 THR A 25 1.348 -8.005 -5.441 1.00 0.00 H new ATOM 0 HG23 THR A 25 1.154 -8.684 -3.808 1.00 0.00 H new ATOM 332 N GLY A 26 -0.575 -5.476 -4.967 1.00 0.00 N ATOM 333 CA GLY A 26 -0.176 -4.304 -5.723 1.00 0.00 C ATOM 334 C GLY A 26 1.286 -3.955 -5.524 1.00 0.00 C ATOM 335 O GLY A 26 1.682 -3.496 -4.452 1.00 0.00 O ATOM 0 H GLY A 26 -0.594 -5.347 -3.955 1.00 0.00 H new ATOM 0 HA2 GLY A 26 -0.364 -4.478 -6.783 1.00 0.00 H new ATOM 0 HA3 GLY A 26 -0.793 -3.456 -5.425 1.00 0.00 H new ATOM 339 N LEU A 27 2.091 -4.175 -6.558 1.00 0.00 N ATOM 340 CA LEU A 27 3.518 -3.882 -6.492 1.00 0.00 C ATOM 341 C LEU A 27 3.865 -2.667 -7.347 1.00 0.00 C ATOM 342 O LEU A 27 3.488 -2.589 -8.516 1.00 0.00 O ATOM 343 CB LEU A 27 4.329 -5.094 -6.955 1.00 0.00 C ATOM 344 CG LEU A 27 5.806 -4.838 -7.255 1.00 0.00 C ATOM 345 CD1 LEU A 27 6.497 -4.220 -6.049 1.00 0.00 C ATOM 346 CD2 LEU A 27 6.499 -6.130 -7.665 1.00 0.00 C ATOM 0 H LEU A 27 1.780 -4.555 -7.452 1.00 0.00 H new ATOM 0 HA LEU A 27 3.770 -3.658 -5.456 1.00 0.00 H new ATOM 0 HB2 LEU A 27 4.263 -5.865 -6.187 1.00 0.00 H new ATOM 0 HB3 LEU A 27 3.861 -5.498 -7.853 1.00 0.00 H new ATOM 0 HG LEU A 27 5.871 -4.135 -8.085 1.00 0.00 H new ATOM 0 HD11 LEU A 27 7.547 -4.045 -6.282 1.00 0.00 H new ATOM 0 HD12 LEU A 27 6.018 -3.273 -5.801 1.00 0.00 H new ATOM 0 HD13 LEU A 27 6.422 -4.898 -5.199 1.00 0.00 H new ATOM 0 HD21 LEU A 27 7.550 -5.929 -7.875 1.00 0.00 H new ATOM 0 HD22 LEU A 27 6.423 -6.856 -6.856 1.00 0.00 H new ATOM 0 HD23 LEU A 27 6.021 -6.531 -8.559 1.00 0.00 H new ATOM 358 N VAL A 28 4.588 -1.722 -6.756 1.00 0.00 N ATOM 359 CA VAL A 28 4.990 -0.512 -7.463 1.00 0.00 C ATOM 360 C VAL A 28 6.391 -0.073 -7.052 1.00 0.00 C ATOM 361 O VAL A 28 6.708 -0.007 -5.865 1.00 0.00 O ATOM 362 CB VAL A 28 4.005 0.644 -7.203 1.00 0.00 C ATOM 363 CG1 VAL A 28 2.711 0.426 -7.973 1.00 0.00 C ATOM 364 CG2 VAL A 28 3.731 0.784 -5.713 1.00 0.00 C ATOM 0 H VAL A 28 4.908 -1.771 -5.789 1.00 0.00 H new ATOM 0 HA VAL A 28 4.985 -0.752 -8.526 1.00 0.00 H new ATOM 0 HB VAL A 28 4.458 1.571 -7.555 1.00 0.00 H new ATOM 0 HG11 VAL A 28 2.027 1.252 -7.777 1.00 0.00 H new ATOM 0 HG12 VAL A 28 2.926 0.378 -9.040 1.00 0.00 H new ATOM 0 HG13 VAL A 28 2.251 -0.509 -7.654 1.00 0.00 H new ATOM 0 HG21 VAL A 28 3.033 1.605 -5.547 1.00 0.00 H new ATOM 0 HG22 VAL A 28 3.298 -0.142 -5.334 1.00 0.00 H new ATOM 0 HG23 VAL A 28 4.665 0.989 -5.189 1.00 0.00 H new ATOM 374 N GLY A 29 7.226 0.226 -8.042 1.00 0.00 N ATOM 375 CA GLY A 29 8.584 0.655 -7.762 1.00 0.00 C ATOM 376 C GLY A 29 8.953 1.927 -8.499 1.00 0.00 C ATOM 377 O GLY A 29 8.236 2.361 -9.401 1.00 0.00 O ATOM 0 H GLY A 29 6.987 0.179 -9.032 1.00 0.00 H new ATOM 0 HA2 GLY A 29 8.698 0.814 -6.690 1.00 0.00 H new ATOM 0 HA3 GLY A 29 9.277 -0.138 -8.042 1.00 0.00 H new ATOM 381 N ALA A 30 10.075 2.528 -8.115 1.00 0.00 N ATOM 382 CA ALA A 30 10.538 3.758 -8.745 1.00 0.00 C ATOM 383 C ALA A 30 11.595 3.467 -9.805 1.00 0.00 C ATOM 384 O ALA A 30 12.544 2.715 -9.580 1.00 0.00 O ATOM 385 CB ALA A 30 11.087 4.714 -7.697 1.00 0.00 C ATOM 0 H ALA A 30 10.680 2.182 -7.370 1.00 0.00 H new ATOM 0 HA ALA A 30 9.687 4.228 -9.238 1.00 0.00 H new ATOM 0 HB1 ALA A 30 11.429 5.628 -8.182 1.00 0.00 H new ATOM 0 HB2 ALA A 30 10.303 4.956 -6.979 1.00 0.00 H new ATOM 0 HB3 ALA A 30 11.922 4.244 -7.178 1.00 0.00 H new ATOM 391 N PRO A 31 11.430 4.074 -10.989 1.00 0.00 N ATOM 392 CA PRO A 31 12.360 3.895 -12.108 1.00 0.00 C ATOM 393 C PRO A 31 13.712 4.552 -11.849 1.00 0.00 C ATOM 394 O PRO A 31 14.758 3.922 -11.997 1.00 0.00 O ATOM 395 CB PRO A 31 11.647 4.580 -13.276 1.00 0.00 C ATOM 396 CG PRO A 31 10.753 5.585 -12.637 1.00 0.00 C ATOM 397 CD PRO A 31 10.322 4.983 -11.328 1.00 0.00 C ATOM 0 HA PRO A 31 12.585 2.843 -12.287 1.00 0.00 H new ATOM 0 HB2 PRO A 31 12.359 5.056 -13.950 1.00 0.00 H new ATOM 0 HB3 PRO A 31 11.078 3.863 -13.868 1.00 0.00 H new ATOM 0 HG2 PRO A 31 11.276 6.528 -12.479 1.00 0.00 H new ATOM 0 HG3 PRO A 31 9.892 5.800 -13.270 1.00 0.00 H new ATOM 0 HD2 PRO A 31 10.180 5.746 -10.563 1.00 0.00 H new ATOM 0 HD3 PRO A 31 9.378 4.447 -11.424 1.00 0.00 H new ATOM 405 N ALA A 32 13.681 5.823 -11.460 1.00 0.00 N ATOM 406 CA ALA A 32 14.904 6.565 -11.178 1.00 0.00 C ATOM 407 C ALA A 32 15.560 6.073 -9.892 1.00 0.00 C ATOM 408 O ALA A 32 16.639 5.481 -9.921 1.00 0.00 O ATOM 409 CB ALA A 32 14.608 8.055 -11.086 1.00 0.00 C ATOM 0 H ALA A 32 12.823 6.360 -11.333 1.00 0.00 H new ATOM 0 HA ALA A 32 15.601 6.395 -11.999 1.00 0.00 H new ATOM 0 HB1 ALA A 32 15.530 8.597 -10.875 1.00 0.00 H new ATOM 0 HB2 ALA A 32 14.191 8.402 -12.031 1.00 0.00 H new ATOM 0 HB3 ALA A 32 13.890 8.235 -10.285 1.00 0.00 H new ATOM 415 N CYS A 33 14.902 6.323 -8.765 1.00 0.00 N ATOM 416 CA CYS A 33 15.421 5.907 -7.468 1.00 0.00 C ATOM 417 C CYS A 33 15.703 4.407 -7.450 1.00 0.00 C ATOM 418 O CYS A 33 16.685 3.956 -6.863 1.00 0.00 O ATOM 419 CB CYS A 33 14.429 6.263 -6.360 1.00 0.00 C ATOM 420 SG CYS A 33 15.159 6.299 -4.691 1.00 0.00 S ATOM 0 H CYS A 33 14.008 6.812 -8.724 1.00 0.00 H new ATOM 0 HA CYS A 33 16.357 6.437 -7.293 1.00 0.00 H new ATOM 0 HB2 CYS A 33 13.995 7.239 -6.576 1.00 0.00 H new ATOM 0 HB3 CYS A 33 13.613 5.541 -6.372 1.00 0.00 H new ATOM 0 HG CYS A 33 15.001 5.140 -4.123 1.00 0.00 H new ATOM 425 N GLY A 34 14.833 3.639 -8.100 1.00 0.00 N ATOM 426 CA GLY A 34 15.005 2.199 -8.147 1.00 0.00 C ATOM 427 C GLY A 34 14.547 1.518 -6.872 1.00 0.00 C ATOM 428 O GLY A 34 15.344 0.893 -6.173 1.00 0.00 O ATOM 0 H GLY A 34 14.012 3.989 -8.595 1.00 0.00 H new ATOM 0 HA2 GLY A 34 14.445 1.797 -8.991 1.00 0.00 H new ATOM 0 HA3 GLY A 34 16.056 1.967 -8.322 1.00 0.00 H new ATOM 432 N ASP A 35 13.260 1.641 -6.569 1.00 0.00 N ATOM 433 CA ASP A 35 12.696 1.033 -5.369 1.00 0.00 C ATOM 434 C ASP A 35 11.629 0.005 -5.731 1.00 0.00 C ATOM 435 O ASP A 35 11.061 0.042 -6.823 1.00 0.00 O ATOM 436 CB ASP A 35 12.099 2.107 -4.459 1.00 0.00 C ATOM 437 CG ASP A 35 12.873 3.410 -4.516 1.00 0.00 C ATOM 438 OD1 ASP A 35 14.071 3.374 -4.867 1.00 0.00 O ATOM 439 OD2 ASP A 35 12.280 4.466 -4.212 1.00 0.00 O ATOM 0 H ASP A 35 12.587 2.156 -7.137 1.00 0.00 H new ATOM 0 HA ASP A 35 13.500 0.524 -4.838 1.00 0.00 H new ATOM 0 HB2 ASP A 35 11.064 2.290 -4.748 1.00 0.00 H new ATOM 0 HB3 ASP A 35 12.084 1.742 -3.432 1.00 0.00 H new ATOM 444 N VAL A 36 11.360 -0.913 -4.807 1.00 0.00 N ATOM 445 CA VAL A 36 10.361 -1.951 -5.028 1.00 0.00 C ATOM 446 C VAL A 36 9.462 -2.118 -3.808 1.00 0.00 C ATOM 447 O VAL A 36 9.834 -2.775 -2.836 1.00 0.00 O ATOM 448 CB VAL A 36 11.020 -3.304 -5.356 1.00 0.00 C ATOM 449 CG1 VAL A 36 9.962 -4.374 -5.578 1.00 0.00 C ATOM 450 CG2 VAL A 36 11.925 -3.175 -6.572 1.00 0.00 C ATOM 0 H VAL A 36 11.821 -0.958 -3.898 1.00 0.00 H new ATOM 0 HA VAL A 36 9.758 -1.633 -5.879 1.00 0.00 H new ATOM 0 HB VAL A 36 11.633 -3.605 -4.507 1.00 0.00 H new ATOM 0 HG11 VAL A 36 10.447 -5.323 -5.809 1.00 0.00 H new ATOM 0 HG12 VAL A 36 9.361 -4.484 -4.676 1.00 0.00 H new ATOM 0 HG13 VAL A 36 9.319 -4.083 -6.409 1.00 0.00 H new ATOM 0 HG21 VAL A 36 12.382 -4.140 -6.789 1.00 0.00 H new ATOM 0 HG22 VAL A 36 11.337 -2.851 -7.430 1.00 0.00 H new ATOM 0 HG23 VAL A 36 12.705 -2.442 -6.369 1.00 0.00 H new ATOM 460 N MET A 37 8.277 -1.519 -3.867 1.00 0.00 N ATOM 461 CA MET A 37 7.324 -1.603 -2.766 1.00 0.00 C ATOM 462 C MET A 37 6.166 -2.531 -3.120 1.00 0.00 C ATOM 463 O MET A 37 5.298 -2.180 -3.920 1.00 0.00 O ATOM 464 CB MET A 37 6.791 -0.212 -2.418 1.00 0.00 C ATOM 465 CG MET A 37 6.044 -0.161 -1.095 1.00 0.00 C ATOM 466 SD MET A 37 4.280 -0.485 -1.281 1.00 0.00 S ATOM 467 CE MET A 37 3.588 1.058 -0.691 1.00 0.00 C ATOM 0 H MET A 37 7.954 -0.971 -4.664 1.00 0.00 H new ATOM 0 HA MET A 37 7.842 -2.012 -1.899 1.00 0.00 H new ATOM 0 HB2 MET A 37 7.625 0.489 -2.382 1.00 0.00 H new ATOM 0 HB3 MET A 37 6.126 0.123 -3.214 1.00 0.00 H new ATOM 0 HG2 MET A 37 6.474 -0.893 -0.411 1.00 0.00 H new ATOM 0 HG3 MET A 37 6.183 0.820 -0.641 1.00 0.00 H new ATOM 0 HE1 MET A 37 2.689 1.295 -1.260 1.00 0.00 H new ATOM 0 HE2 MET A 37 3.334 0.963 0.365 1.00 0.00 H new ATOM 0 HE3 MET A 37 4.319 1.857 -0.818 1.00 0.00 H new ATOM 477 N LYS A 38 6.159 -3.716 -2.520 1.00 0.00 N ATOM 478 CA LYS A 38 5.107 -4.695 -2.770 1.00 0.00 C ATOM 479 C LYS A 38 4.011 -4.598 -1.713 1.00 0.00 C ATOM 480 O LYS A 38 4.208 -4.992 -0.563 1.00 0.00 O ATOM 481 CB LYS A 38 5.691 -6.109 -2.787 1.00 0.00 C ATOM 482 CG LYS A 38 4.722 -7.162 -3.295 1.00 0.00 C ATOM 483 CD LYS A 38 5.450 -8.306 -3.980 1.00 0.00 C ATOM 484 CE LYS A 38 4.604 -8.923 -5.083 1.00 0.00 C ATOM 485 NZ LYS A 38 5.003 -10.330 -5.367 1.00 0.00 N ATOM 0 H LYS A 38 6.871 -4.022 -1.856 1.00 0.00 H new ATOM 0 HA LYS A 38 4.668 -4.479 -3.744 1.00 0.00 H new ATOM 0 HB2 LYS A 38 6.583 -6.117 -3.413 1.00 0.00 H new ATOM 0 HB3 LYS A 38 6.007 -6.375 -1.778 1.00 0.00 H new ATOM 0 HG2 LYS A 38 4.135 -7.550 -2.462 1.00 0.00 H new ATOM 0 HG3 LYS A 38 4.021 -6.706 -3.994 1.00 0.00 H new ATOM 0 HD2 LYS A 38 6.388 -7.943 -4.400 1.00 0.00 H new ATOM 0 HD3 LYS A 38 5.704 -9.069 -3.245 1.00 0.00 H new ATOM 0 HE2 LYS A 38 3.553 -8.895 -4.794 1.00 0.00 H new ATOM 0 HE3 LYS A 38 4.701 -8.328 -5.991 1.00 0.00 H new ATOM 0 HZ1 LYS A 38 4.403 -10.715 -6.124 1.00 0.00 H new ATOM 0 HZ2 LYS A 38 5.998 -10.355 -5.668 1.00 0.00 H new ATOM 0 HZ3 LYS A 38 4.887 -10.904 -4.508 1.00 0.00 H new ATOM 499 N LEU A 39 2.857 -4.074 -2.110 1.00 0.00 N ATOM 500 CA LEU A 39 1.729 -3.928 -1.197 1.00 0.00 C ATOM 501 C LEU A 39 0.757 -5.095 -1.340 1.00 0.00 C ATOM 502 O LEU A 39 0.554 -5.614 -2.438 1.00 0.00 O ATOM 503 CB LEU A 39 1.001 -2.609 -1.462 1.00 0.00 C ATOM 504 CG LEU A 39 0.213 -2.030 -0.286 1.00 0.00 C ATOM 505 CD1 LEU A 39 1.158 -1.530 0.796 1.00 0.00 C ATOM 506 CD2 LEU A 39 -0.701 -0.908 -0.758 1.00 0.00 C ATOM 0 H LEU A 39 2.678 -3.743 -3.058 1.00 0.00 H new ATOM 0 HA LEU A 39 2.117 -3.925 -0.178 1.00 0.00 H new ATOM 0 HB2 LEU A 39 1.735 -1.869 -1.781 1.00 0.00 H new ATOM 0 HB3 LEU A 39 0.315 -2.757 -2.296 1.00 0.00 H new ATOM 0 HG LEU A 39 -0.405 -2.822 0.138 1.00 0.00 H new ATOM 0 HD11 LEU A 39 0.579 -1.122 1.624 1.00 0.00 H new ATOM 0 HD12 LEU A 39 1.771 -2.357 1.154 1.00 0.00 H new ATOM 0 HD13 LEU A 39 1.802 -0.752 0.386 1.00 0.00 H new ATOM 0 HD21 LEU A 39 -1.254 -0.508 0.092 1.00 0.00 H new ATOM 0 HD22 LEU A 39 -0.102 -0.116 -1.207 1.00 0.00 H new ATOM 0 HD23 LEU A 39 -1.402 -1.296 -1.497 1.00 0.00 H new ATOM 518 N GLN A 40 0.160 -5.501 -0.225 1.00 0.00 N ATOM 519 CA GLN A 40 -0.792 -6.606 -0.227 1.00 0.00 C ATOM 520 C GLN A 40 -1.825 -6.437 0.882 1.00 0.00 C ATOM 521 O GLN A 40 -1.475 -6.324 2.057 1.00 0.00 O ATOM 522 CB GLN A 40 -0.059 -7.938 -0.059 1.00 0.00 C ATOM 523 CG GLN A 40 0.356 -8.575 -1.376 1.00 0.00 C ATOM 524 CD GLN A 40 0.897 -9.980 -1.200 1.00 0.00 C ATOM 525 OE1 GLN A 40 2.109 -10.197 -1.212 1.00 0.00 O ATOM 526 NE2 GLN A 40 -0.001 -10.944 -1.035 1.00 0.00 N ATOM 0 H GLN A 40 0.318 -5.082 0.691 1.00 0.00 H new ATOM 0 HA GLN A 40 -1.311 -6.603 -1.185 1.00 0.00 H new ATOM 0 HB2 GLN A 40 0.828 -7.780 0.554 1.00 0.00 H new ATOM 0 HB3 GLN A 40 -0.702 -8.631 0.483 1.00 0.00 H new ATOM 0 HG2 GLN A 40 -0.501 -8.602 -2.048 1.00 0.00 H new ATOM 0 HG3 GLN A 40 1.115 -7.954 -1.852 1.00 0.00 H new ATOM 0 HE21 GLN A 40 -0.996 -10.719 -1.032 1.00 0.00 H new ATOM 0 HE22 GLN A 40 0.304 -11.909 -0.912 1.00 0.00 H new ATOM 535 N ILE A 41 -3.098 -6.421 0.500 1.00 0.00 N ATOM 536 CA ILE A 41 -4.181 -6.266 1.463 1.00 0.00 C ATOM 537 C ILE A 41 -5.202 -7.391 1.327 1.00 0.00 C ATOM 538 O ILE A 41 -5.489 -7.850 0.222 1.00 0.00 O ATOM 539 CB ILE A 41 -4.898 -4.914 1.292 1.00 0.00 C ATOM 540 CG1 ILE A 41 -5.548 -4.828 -0.090 1.00 0.00 C ATOM 541 CG2 ILE A 41 -3.920 -3.767 1.495 1.00 0.00 C ATOM 542 CD1 ILE A 41 -6.976 -5.328 -0.119 1.00 0.00 C ATOM 0 H ILE A 41 -3.404 -6.513 -0.469 1.00 0.00 H new ATOM 0 HA ILE A 41 -3.730 -6.305 2.454 1.00 0.00 H new ATOM 0 HB ILE A 41 -5.681 -4.837 2.047 1.00 0.00 H new ATOM 0 HG12 ILE A 41 -5.527 -3.792 -0.428 1.00 0.00 H new ATOM 0 HG13 ILE A 41 -4.955 -5.406 -0.798 1.00 0.00 H new ATOM 0 HG21 ILE A 41 -4.441 -2.818 1.371 1.00 0.00 H new ATOM 0 HG22 ILE A 41 -3.499 -3.821 2.499 1.00 0.00 H new ATOM 0 HG23 ILE A 41 -3.118 -3.839 0.761 1.00 0.00 H new ATOM 0 HD11 ILE A 41 -7.373 -5.237 -1.130 1.00 0.00 H new ATOM 0 HD12 ILE A 41 -7.002 -6.373 0.188 1.00 0.00 H new ATOM 0 HD13 ILE A 41 -7.583 -4.734 0.564 1.00 0.00 H new ATOM 554 N GLN A 42 -5.748 -7.827 2.457 1.00 0.00 N ATOM 555 CA GLN A 42 -6.738 -8.897 2.463 1.00 0.00 C ATOM 556 C GLN A 42 -8.143 -8.338 2.663 1.00 0.00 C ATOM 557 O GLN A 42 -8.443 -7.741 3.697 1.00 0.00 O ATOM 558 CB GLN A 42 -6.419 -9.911 3.564 1.00 0.00 C ATOM 559 CG GLN A 42 -7.108 -11.252 3.374 1.00 0.00 C ATOM 560 CD GLN A 42 -6.975 -12.153 4.586 1.00 0.00 C ATOM 561 OE1 GLN A 42 -7.936 -12.360 5.328 1.00 0.00 O ATOM 562 NE2 GLN A 42 -5.781 -12.694 4.794 1.00 0.00 N ATOM 0 H GLN A 42 -5.522 -7.456 3.380 1.00 0.00 H new ATOM 0 HA GLN A 42 -6.700 -9.398 1.496 1.00 0.00 H new ATOM 0 HB2 GLN A 42 -5.341 -10.068 3.601 1.00 0.00 H new ATOM 0 HB3 GLN A 42 -6.713 -9.494 4.527 1.00 0.00 H new ATOM 0 HG2 GLN A 42 -8.165 -11.087 3.163 1.00 0.00 H new ATOM 0 HG3 GLN A 42 -6.684 -11.754 2.504 1.00 0.00 H new ATOM 0 HE21 GLN A 42 -5.012 -12.495 4.154 1.00 0.00 H new ATOM 0 HE22 GLN A 42 -5.632 -13.309 5.594 1.00 0.00 H new ATOM 571 N VAL A 43 -9.001 -8.535 1.667 1.00 0.00 N ATOM 572 CA VAL A 43 -10.375 -8.051 1.734 1.00 0.00 C ATOM 573 C VAL A 43 -11.316 -9.137 2.244 1.00 0.00 C ATOM 574 O VAL A 43 -11.187 -10.306 1.878 1.00 0.00 O ATOM 575 CB VAL A 43 -10.866 -7.565 0.358 1.00 0.00 C ATOM 576 CG1 VAL A 43 -12.323 -7.135 0.432 1.00 0.00 C ATOM 577 CG2 VAL A 43 -9.991 -6.429 -0.149 1.00 0.00 C ATOM 0 H VAL A 43 -8.769 -9.027 0.804 1.00 0.00 H new ATOM 0 HA VAL A 43 -10.382 -7.213 2.430 1.00 0.00 H new ATOM 0 HB VAL A 43 -10.792 -8.392 -0.348 1.00 0.00 H new ATOM 0 HG11 VAL A 43 -12.652 -6.795 -0.550 1.00 0.00 H new ATOM 0 HG12 VAL A 43 -12.936 -7.979 0.748 1.00 0.00 H new ATOM 0 HG13 VAL A 43 -12.426 -6.322 1.151 1.00 0.00 H new ATOM 0 HG21 VAL A 43 -10.352 -6.098 -1.123 1.00 0.00 H new ATOM 0 HG22 VAL A 43 -10.030 -5.597 0.555 1.00 0.00 H new ATOM 0 HG23 VAL A 43 -8.962 -6.776 -0.243 1.00 0.00 H new ATOM 587 N ASP A 44 -12.262 -8.743 3.088 1.00 0.00 N ATOM 588 CA ASP A 44 -13.227 -9.682 3.648 1.00 0.00 C ATOM 589 C ASP A 44 -14.484 -9.748 2.785 1.00 0.00 C ATOM 590 O ASP A 44 -14.574 -9.086 1.752 1.00 0.00 O ATOM 591 CB ASP A 44 -13.594 -9.279 5.077 1.00 0.00 C ATOM 592 CG ASP A 44 -13.955 -10.472 5.940 1.00 0.00 C ATOM 593 OD1 ASP A 44 -14.204 -11.559 5.377 1.00 0.00 O ATOM 594 OD2 ASP A 44 -13.987 -10.320 7.179 1.00 0.00 O ATOM 0 H ASP A 44 -12.382 -7.779 3.400 1.00 0.00 H new ATOM 0 HA ASP A 44 -12.767 -10.670 3.665 1.00 0.00 H new ATOM 0 HB2 ASP A 44 -12.756 -8.748 5.528 1.00 0.00 H new ATOM 0 HB3 ASP A 44 -14.434 -8.585 5.051 1.00 0.00 H new ATOM 599 N GLU A 45 -15.451 -10.551 3.218 1.00 0.00 N ATOM 600 CA GLU A 45 -16.701 -10.704 2.484 1.00 0.00 C ATOM 601 C GLU A 45 -17.424 -9.366 2.355 1.00 0.00 C ATOM 602 O GLU A 45 -18.041 -9.076 1.330 1.00 0.00 O ATOM 603 CB GLU A 45 -17.607 -11.721 3.181 1.00 0.00 C ATOM 604 CG GLU A 45 -18.073 -11.277 4.558 1.00 0.00 C ATOM 605 CD GLU A 45 -18.945 -12.313 5.241 1.00 0.00 C ATOM 606 OE1 GLU A 45 -19.510 -13.172 4.534 1.00 0.00 O ATOM 607 OE2 GLU A 45 -19.060 -12.263 6.484 1.00 0.00 O ATOM 0 H GLU A 45 -15.393 -11.105 4.073 1.00 0.00 H new ATOM 0 HA GLU A 45 -16.463 -11.066 1.484 1.00 0.00 H new ATOM 0 HB2 GLU A 45 -18.479 -11.908 2.554 1.00 0.00 H new ATOM 0 HB3 GLU A 45 -17.073 -12.667 3.275 1.00 0.00 H new ATOM 0 HG2 GLU A 45 -17.204 -11.070 5.182 1.00 0.00 H new ATOM 0 HG3 GLU A 45 -18.628 -10.344 4.466 1.00 0.00 H new ATOM 614 N LYS A 46 -17.344 -8.554 3.404 1.00 0.00 N ATOM 615 CA LYS A 46 -17.988 -7.247 3.411 1.00 0.00 C ATOM 616 C LYS A 46 -17.258 -6.275 2.489 1.00 0.00 C ATOM 617 O LYS A 46 -17.837 -5.297 2.018 1.00 0.00 O ATOM 618 CB LYS A 46 -18.030 -6.683 4.833 1.00 0.00 C ATOM 619 CG LYS A 46 -18.803 -7.553 5.810 1.00 0.00 C ATOM 620 CD LYS A 46 -19.442 -6.723 6.910 1.00 0.00 C ATOM 621 CE LYS A 46 -20.264 -7.588 7.854 1.00 0.00 C ATOM 622 NZ LYS A 46 -21.117 -6.767 8.757 1.00 0.00 N ATOM 0 H LYS A 46 -16.839 -8.779 4.261 1.00 0.00 H new ATOM 0 HA LYS A 46 -19.007 -7.371 3.046 1.00 0.00 H new ATOM 0 HB2 LYS A 46 -17.010 -6.561 5.197 1.00 0.00 H new ATOM 0 HB3 LYS A 46 -18.480 -5.691 4.808 1.00 0.00 H new ATOM 0 HG2 LYS A 46 -19.575 -8.105 5.275 1.00 0.00 H new ATOM 0 HG3 LYS A 46 -18.132 -8.290 6.252 1.00 0.00 H new ATOM 0 HD2 LYS A 46 -18.666 -6.204 7.473 1.00 0.00 H new ATOM 0 HD3 LYS A 46 -20.080 -5.958 6.467 1.00 0.00 H new ATOM 0 HE2 LYS A 46 -20.894 -8.262 7.273 1.00 0.00 H new ATOM 0 HE3 LYS A 46 -19.597 -8.210 8.451 1.00 0.00 H new ATOM 0 HZ1 LYS A 46 -21.661 -7.393 9.384 1.00 0.00 H new ATOM 0 HZ2 LYS A 46 -20.515 -6.141 9.329 1.00 0.00 H new ATOM 0 HZ3 LYS A 46 -21.772 -6.192 8.189 1.00 0.00 H new ATOM 636 N GLY A 47 -15.982 -6.553 2.235 1.00 0.00 N ATOM 637 CA GLY A 47 -15.195 -5.695 1.369 1.00 0.00 C ATOM 638 C GLY A 47 -14.332 -4.721 2.148 1.00 0.00 C ATOM 639 O GLY A 47 -13.929 -3.682 1.625 1.00 0.00 O ATOM 0 H GLY A 47 -15.480 -7.356 2.613 1.00 0.00 H new ATOM 0 HA2 GLY A 47 -14.559 -6.311 0.733 1.00 0.00 H new ATOM 0 HA3 GLY A 47 -15.862 -5.139 0.710 1.00 0.00 H new ATOM 643 N LYS A 48 -14.050 -5.055 3.402 1.00 0.00 N ATOM 644 CA LYS A 48 -13.230 -4.203 4.255 1.00 0.00 C ATOM 645 C LYS A 48 -11.856 -4.825 4.486 1.00 0.00 C ATOM 646 O LYS A 48 -11.744 -6.016 4.776 1.00 0.00 O ATOM 647 CB LYS A 48 -13.927 -3.969 5.598 1.00 0.00 C ATOM 648 CG LYS A 48 -13.273 -2.890 6.442 1.00 0.00 C ATOM 649 CD LYS A 48 -12.196 -3.465 7.347 1.00 0.00 C ATOM 650 CE LYS A 48 -12.797 -4.124 8.579 1.00 0.00 C ATOM 651 NZ LYS A 48 -13.233 -3.119 9.588 1.00 0.00 N ATOM 0 H LYS A 48 -14.377 -5.910 3.851 1.00 0.00 H new ATOM 0 HA LYS A 48 -13.097 -3.247 3.749 1.00 0.00 H new ATOM 0 HB2 LYS A 48 -14.966 -3.696 5.416 1.00 0.00 H new ATOM 0 HB3 LYS A 48 -13.937 -4.903 6.160 1.00 0.00 H new ATOM 0 HG2 LYS A 48 -12.836 -2.133 5.791 1.00 0.00 H new ATOM 0 HG3 LYS A 48 -14.030 -2.392 7.047 1.00 0.00 H new ATOM 0 HD2 LYS A 48 -11.606 -4.196 6.794 1.00 0.00 H new ATOM 0 HD3 LYS A 48 -11.515 -2.671 7.653 1.00 0.00 H new ATOM 0 HE2 LYS A 48 -13.649 -4.736 8.284 1.00 0.00 H new ATOM 0 HE3 LYS A 48 -12.063 -4.794 9.027 1.00 0.00 H new ATOM 0 HZ1 LYS A 48 -13.526 -3.606 10.459 1.00 0.00 H new ATOM 0 HZ2 LYS A 48 -12.444 -2.475 9.800 1.00 0.00 H new ATOM 0 HZ3 LYS A 48 -14.033 -2.573 9.210 1.00 0.00 H new ATOM 665 N ILE A 49 -10.814 -4.010 4.356 1.00 0.00 N ATOM 666 CA ILE A 49 -9.449 -4.480 4.553 1.00 0.00 C ATOM 667 C ILE A 49 -9.211 -4.887 6.003 1.00 0.00 C ATOM 668 O ILE A 49 -9.236 -4.050 6.906 1.00 0.00 O ATOM 669 CB ILE A 49 -8.420 -3.404 4.158 1.00 0.00 C ATOM 670 CG1 ILE A 49 -8.494 -3.124 2.655 1.00 0.00 C ATOM 671 CG2 ILE A 49 -7.017 -3.842 4.552 1.00 0.00 C ATOM 672 CD1 ILE A 49 -8.137 -1.701 2.288 1.00 0.00 C ATOM 0 H ILE A 49 -10.890 -3.022 4.115 1.00 0.00 H new ATOM 0 HA ILE A 49 -9.319 -5.349 3.908 1.00 0.00 H new ATOM 0 HB ILE A 49 -8.656 -2.484 4.692 1.00 0.00 H new ATOM 0 HG12 ILE A 49 -7.822 -3.805 2.133 1.00 0.00 H new ATOM 0 HG13 ILE A 49 -9.503 -3.340 2.303 1.00 0.00 H new ATOM 0 HG21 ILE A 49 -6.301 -3.071 4.266 1.00 0.00 H new ATOM 0 HG22 ILE A 49 -6.973 -3.996 5.630 1.00 0.00 H new ATOM 0 HG23 ILE A 49 -6.770 -4.773 4.042 1.00 0.00 H new ATOM 0 HD11 ILE A 49 -8.211 -1.574 1.208 1.00 0.00 H new ATOM 0 HD12 ILE A 49 -8.825 -1.014 2.782 1.00 0.00 H new ATOM 0 HD13 ILE A 49 -7.118 -1.487 2.610 1.00 0.00 H new ATOM 684 N VAL A 50 -8.978 -6.177 6.220 1.00 0.00 N ATOM 685 CA VAL A 50 -8.732 -6.695 7.561 1.00 0.00 C ATOM 686 C VAL A 50 -7.240 -6.871 7.817 1.00 0.00 C ATOM 687 O VAL A 50 -6.782 -6.799 8.958 1.00 0.00 O ATOM 688 CB VAL A 50 -9.442 -8.045 7.780 1.00 0.00 C ATOM 689 CG1 VAL A 50 -10.951 -7.856 7.810 1.00 0.00 C ATOM 690 CG2 VAL A 50 -9.042 -9.038 6.700 1.00 0.00 C ATOM 0 H VAL A 50 -8.954 -6.883 5.484 1.00 0.00 H new ATOM 0 HA VAL A 50 -9.134 -5.963 8.262 1.00 0.00 H new ATOM 0 HB VAL A 50 -9.131 -8.447 8.744 1.00 0.00 H new ATOM 0 HG11 VAL A 50 -11.435 -8.820 7.966 1.00 0.00 H new ATOM 0 HG12 VAL A 50 -11.217 -7.181 8.623 1.00 0.00 H new ATOM 0 HG13 VAL A 50 -11.283 -7.432 6.863 1.00 0.00 H new ATOM 0 HG21 VAL A 50 -9.553 -9.986 6.870 1.00 0.00 H new ATOM 0 HG22 VAL A 50 -9.322 -8.645 5.723 1.00 0.00 H new ATOM 0 HG23 VAL A 50 -7.964 -9.196 6.732 1.00 0.00 H new ATOM 700 N ASP A 51 -6.485 -7.101 6.748 1.00 0.00 N ATOM 701 CA ASP A 51 -5.042 -7.286 6.856 1.00 0.00 C ATOM 702 C ASP A 51 -4.311 -6.504 5.769 1.00 0.00 C ATOM 703 O ASP A 51 -4.814 -6.351 4.657 1.00 0.00 O ATOM 704 CB ASP A 51 -4.688 -8.770 6.760 1.00 0.00 C ATOM 705 CG ASP A 51 -5.207 -9.568 7.940 1.00 0.00 C ATOM 706 OD1 ASP A 51 -4.609 -9.469 9.031 1.00 0.00 O ATOM 707 OD2 ASP A 51 -6.211 -10.291 7.772 1.00 0.00 O ATOM 0 H ASP A 51 -6.848 -7.164 5.797 1.00 0.00 H new ATOM 0 HA ASP A 51 -4.724 -6.907 7.827 1.00 0.00 H new ATOM 0 HB2 ASP A 51 -5.101 -9.180 5.838 1.00 0.00 H new ATOM 0 HB3 ASP A 51 -3.605 -8.879 6.700 1.00 0.00 H new ATOM 712 N ALA A 52 -3.123 -6.010 6.101 1.00 0.00 N ATOM 713 CA ALA A 52 -2.322 -5.245 5.153 1.00 0.00 C ATOM 714 C ALA A 52 -0.833 -5.401 5.440 1.00 0.00 C ATOM 715 O ALA A 52 -0.418 -5.469 6.597 1.00 0.00 O ATOM 716 CB ALA A 52 -2.718 -3.776 5.193 1.00 0.00 C ATOM 0 H ALA A 52 -2.694 -6.126 7.019 1.00 0.00 H new ATOM 0 HA ALA A 52 -2.515 -5.636 4.154 1.00 0.00 H new ATOM 0 HB1 ALA A 52 -2.112 -3.216 4.480 1.00 0.00 H new ATOM 0 HB2 ALA A 52 -3.771 -3.676 4.931 1.00 0.00 H new ATOM 0 HB3 ALA A 52 -2.554 -3.382 6.196 1.00 0.00 H new ATOM 722 N ARG A 53 -0.033 -5.458 4.380 1.00 0.00 N ATOM 723 CA ARG A 53 1.410 -5.608 4.519 1.00 0.00 C ATOM 724 C ARG A 53 2.148 -4.571 3.678 1.00 0.00 C ATOM 725 O ARG A 53 1.621 -4.075 2.682 1.00 0.00 O ATOM 726 CB ARG A 53 1.840 -7.016 4.104 1.00 0.00 C ATOM 727 CG ARG A 53 1.114 -8.121 4.855 1.00 0.00 C ATOM 728 CD ARG A 53 1.730 -8.361 6.224 1.00 0.00 C ATOM 729 NE ARG A 53 0.803 -9.035 7.130 1.00 0.00 N ATOM 730 CZ ARG A 53 1.041 -9.214 8.425 1.00 0.00 C ATOM 731 NH1 ARG A 53 2.169 -8.772 8.962 1.00 0.00 N ATOM 732 NH2 ARG A 53 0.149 -9.837 9.184 1.00 0.00 N ATOM 0 H ARG A 53 -0.360 -5.403 3.416 1.00 0.00 H new ATOM 0 HA ARG A 53 1.667 -5.451 5.567 1.00 0.00 H new ATOM 0 HB2 ARG A 53 1.666 -7.140 3.035 1.00 0.00 H new ATOM 0 HB3 ARG A 53 2.913 -7.122 4.267 1.00 0.00 H new ATOM 0 HG2 ARG A 53 0.063 -7.855 4.969 1.00 0.00 H new ATOM 0 HG3 ARG A 53 1.149 -9.042 4.273 1.00 0.00 H new ATOM 0 HD2 ARG A 53 2.633 -8.962 6.115 1.00 0.00 H new ATOM 0 HD3 ARG A 53 2.032 -7.408 6.658 1.00 0.00 H new ATOM 0 HE ARG A 53 -0.075 -9.387 6.748 1.00 0.00 H new ATOM 0 HH11 ARG A 53 2.857 -8.293 8.381 1.00 0.00 H new ATOM 0 HH12 ARG A 53 2.349 -8.911 9.956 1.00 0.00 H new ATOM 0 HH21 ARG A 53 -0.720 -10.179 8.774 1.00 0.00 H new ATOM 0 HH22 ARG A 53 0.332 -9.974 10.178 1.00 0.00 H new ATOM 746 N PHE A 54 3.371 -4.247 4.086 1.00 0.00 N ATOM 747 CA PHE A 54 4.181 -3.268 3.371 1.00 0.00 C ATOM 748 C PHE A 54 5.636 -3.721 3.289 1.00 0.00 C ATOM 749 O PHE A 54 6.298 -3.911 4.310 1.00 0.00 O ATOM 750 CB PHE A 54 4.098 -1.905 4.061 1.00 0.00 C ATOM 751 CG PHE A 54 5.152 -1.699 5.111 1.00 0.00 C ATOM 752 CD1 PHE A 54 6.385 -1.162 4.779 1.00 0.00 C ATOM 753 CD2 PHE A 54 4.909 -2.043 6.432 1.00 0.00 C ATOM 754 CE1 PHE A 54 7.356 -0.972 5.743 1.00 0.00 C ATOM 755 CE2 PHE A 54 5.877 -1.856 7.401 1.00 0.00 C ATOM 756 CZ PHE A 54 7.102 -1.319 7.056 1.00 0.00 C ATOM 0 H PHE A 54 3.822 -4.648 4.908 1.00 0.00 H new ATOM 0 HA PHE A 54 3.789 -3.180 2.358 1.00 0.00 H new ATOM 0 HB2 PHE A 54 4.187 -1.120 3.310 1.00 0.00 H new ATOM 0 HB3 PHE A 54 3.115 -1.798 4.519 1.00 0.00 H new ATOM 0 HD1 PHE A 54 6.590 -0.889 3.754 1.00 0.00 H new ATOM 0 HD2 PHE A 54 3.952 -2.462 6.707 1.00 0.00 H new ATOM 0 HE1 PHE A 54 8.313 -0.552 5.470 1.00 0.00 H new ATOM 0 HE2 PHE A 54 5.676 -2.129 8.426 1.00 0.00 H new ATOM 0 HZ PHE A 54 7.860 -1.171 7.811 1.00 0.00 H new ATOM 766 N LYS A 55 6.127 -3.893 2.067 1.00 0.00 N ATOM 767 CA LYS A 55 7.503 -4.324 1.849 1.00 0.00 C ATOM 768 C LYS A 55 8.197 -3.431 0.825 1.00 0.00 C ATOM 769 O LYS A 55 8.041 -3.615 -0.383 1.00 0.00 O ATOM 770 CB LYS A 55 7.536 -5.779 1.377 1.00 0.00 C ATOM 771 CG LYS A 55 8.938 -6.352 1.268 1.00 0.00 C ATOM 772 CD LYS A 55 9.585 -6.507 2.634 1.00 0.00 C ATOM 773 CE LYS A 55 8.983 -7.671 3.408 1.00 0.00 C ATOM 774 NZ LYS A 55 7.706 -7.293 4.073 1.00 0.00 N ATOM 0 H LYS A 55 5.593 -3.741 1.212 1.00 0.00 H new ATOM 0 HA LYS A 55 8.036 -4.244 2.796 1.00 0.00 H new ATOM 0 HB2 LYS A 55 6.956 -6.390 2.069 1.00 0.00 H new ATOM 0 HB3 LYS A 55 7.048 -5.848 0.405 1.00 0.00 H new ATOM 0 HG2 LYS A 55 8.898 -7.321 0.771 1.00 0.00 H new ATOM 0 HG3 LYS A 55 9.551 -5.700 0.646 1.00 0.00 H new ATOM 0 HD2 LYS A 55 10.657 -6.664 2.514 1.00 0.00 H new ATOM 0 HD3 LYS A 55 9.459 -5.586 3.204 1.00 0.00 H new ATOM 0 HE2 LYS A 55 8.806 -8.506 2.730 1.00 0.00 H new ATOM 0 HE3 LYS A 55 9.695 -8.015 4.158 1.00 0.00 H new ATOM 0 HZ1 LYS A 55 7.737 -7.578 5.073 1.00 0.00 H new ATOM 0 HZ2 LYS A 55 7.574 -6.263 4.011 1.00 0.00 H new ATOM 0 HZ3 LYS A 55 6.913 -7.773 3.601 1.00 0.00 H new ATOM 788 N THR A 56 8.966 -2.463 1.314 1.00 0.00 N ATOM 789 CA THR A 56 9.683 -1.542 0.442 1.00 0.00 C ATOM 790 C THR A 56 11.155 -1.924 0.331 1.00 0.00 C ATOM 791 O THR A 56 11.737 -2.470 1.269 1.00 0.00 O ATOM 792 CB THR A 56 9.578 -0.091 0.949 1.00 0.00 C ATOM 793 OG1 THR A 56 8.226 0.202 1.317 1.00 0.00 O ATOM 794 CG2 THR A 56 10.043 0.889 -0.118 1.00 0.00 C ATOM 0 H THR A 56 9.108 -2.297 2.310 1.00 0.00 H new ATOM 0 HA THR A 56 9.217 -1.610 -0.541 1.00 0.00 H new ATOM 0 HB THR A 56 10.222 0.014 1.822 1.00 0.00 H new ATOM 0 HG1 THR A 56 7.953 1.050 0.910 1.00 0.00 H new ATOM 0 HG21 THR A 56 9.960 1.907 0.262 1.00 0.00 H new ATOM 0 HG22 THR A 56 11.082 0.681 -0.375 1.00 0.00 H new ATOM 0 HG23 THR A 56 9.421 0.782 -1.007 1.00 0.00 H new ATOM 802 N PHE A 57 11.752 -1.633 -0.820 1.00 0.00 N ATOM 803 CA PHE A 57 13.156 -1.947 -1.053 1.00 0.00 C ATOM 804 C PHE A 57 13.865 -0.786 -1.745 1.00 0.00 C ATOM 805 O PHE A 57 13.650 -0.529 -2.929 1.00 0.00 O ATOM 806 CB PHE A 57 13.284 -3.214 -1.901 1.00 0.00 C ATOM 807 CG PHE A 57 12.672 -4.427 -1.261 1.00 0.00 C ATOM 808 CD1 PHE A 57 13.161 -4.915 -0.060 1.00 0.00 C ATOM 809 CD2 PHE A 57 11.607 -5.081 -1.861 1.00 0.00 C ATOM 810 CE1 PHE A 57 12.599 -6.031 0.532 1.00 0.00 C ATOM 811 CE2 PHE A 57 11.042 -6.197 -1.274 1.00 0.00 C ATOM 812 CZ PHE A 57 11.539 -6.673 -0.077 1.00 0.00 C ATOM 0 H PHE A 57 11.285 -1.180 -1.606 1.00 0.00 H new ATOM 0 HA PHE A 57 13.630 -2.116 -0.086 1.00 0.00 H new ATOM 0 HB2 PHE A 57 12.809 -3.044 -2.868 1.00 0.00 H new ATOM 0 HB3 PHE A 57 14.339 -3.408 -2.094 1.00 0.00 H new ATOM 0 HD1 PHE A 57 13.991 -4.418 0.420 1.00 0.00 H new ATOM 0 HD2 PHE A 57 11.214 -4.714 -2.798 1.00 0.00 H new ATOM 0 HE1 PHE A 57 12.988 -6.400 1.469 1.00 0.00 H new ATOM 0 HE2 PHE A 57 10.212 -6.697 -1.751 1.00 0.00 H new ATOM 0 HZ PHE A 57 11.099 -7.546 0.382 1.00 0.00 H new ATOM 822 N GLY A 58 14.712 -0.086 -0.995 1.00 0.00 N ATOM 823 CA GLY A 58 15.439 1.040 -1.552 1.00 0.00 C ATOM 824 C GLY A 58 15.608 2.170 -0.556 1.00 0.00 C ATOM 825 O GLY A 58 15.958 1.940 0.602 1.00 0.00 O ATOM 0 H GLY A 58 14.907 -0.279 -0.013 1.00 0.00 H new ATOM 0 HA2 GLY A 58 16.421 0.705 -1.887 1.00 0.00 H new ATOM 0 HA3 GLY A 58 14.912 1.410 -2.431 1.00 0.00 H new ATOM 829 N CYS A 59 15.361 3.395 -1.006 1.00 0.00 N ATOM 830 CA CYS A 59 15.490 4.566 -0.148 1.00 0.00 C ATOM 831 C CYS A 59 14.543 4.473 1.045 1.00 0.00 C ATOM 832 O CYS A 59 13.656 3.621 1.082 1.00 0.00 O ATOM 833 CB CYS A 59 15.202 5.841 -0.943 1.00 0.00 C ATOM 834 SG CYS A 59 13.429 6.193 -1.169 1.00 0.00 S ATOM 0 H CYS A 59 15.070 3.603 -1.961 1.00 0.00 H new ATOM 0 HA CYS A 59 16.514 4.601 0.225 1.00 0.00 H new ATOM 0 HB2 CYS A 59 15.667 6.686 -0.435 1.00 0.00 H new ATOM 0 HB3 CYS A 59 15.673 5.760 -1.923 1.00 0.00 H new ATOM 0 HG CYS A 59 13.138 7.332 -0.613 1.00 0.00 H new ATOM 839 N GLY A 60 14.738 5.357 2.019 1.00 0.00 N ATOM 840 CA GLY A 60 13.894 5.358 3.200 1.00 0.00 C ATOM 841 C GLY A 60 12.531 5.967 2.938 1.00 0.00 C ATOM 842 O GLY A 60 11.504 5.330 3.171 1.00 0.00 O ATOM 0 H GLY A 60 15.465 6.072 2.011 1.00 0.00 H new ATOM 0 HA2 GLY A 60 13.769 4.335 3.554 1.00 0.00 H new ATOM 0 HA3 GLY A 60 14.390 5.913 3.996 1.00 0.00 H new ATOM 846 N SER A 61 12.520 7.204 2.452 1.00 0.00 N ATOM 847 CA SER A 61 11.272 7.901 2.164 1.00 0.00 C ATOM 848 C SER A 61 10.215 6.931 1.646 1.00 0.00 C ATOM 849 O SER A 61 9.023 7.100 1.901 1.00 0.00 O ATOM 850 CB SER A 61 11.509 9.011 1.137 1.00 0.00 C ATOM 851 OG SER A 61 12.291 8.543 0.052 1.00 0.00 O ATOM 0 H SER A 61 13.361 7.744 2.249 1.00 0.00 H new ATOM 0 HA SER A 61 10.910 8.344 3.091 1.00 0.00 H new ATOM 0 HB2 SER A 61 10.552 9.379 0.767 1.00 0.00 H new ATOM 0 HB3 SER A 61 12.011 9.852 1.615 1.00 0.00 H new ATOM 0 HG SER A 61 11.705 8.323 -0.702 1.00 0.00 H new ATOM 857 N ALA A 62 10.662 5.913 0.917 1.00 0.00 N ATOM 858 CA ALA A 62 9.756 4.914 0.364 1.00 0.00 C ATOM 859 C ALA A 62 9.261 3.963 1.448 1.00 0.00 C ATOM 860 O ALA A 62 8.063 3.696 1.553 1.00 0.00 O ATOM 861 CB ALA A 62 10.443 4.137 -0.749 1.00 0.00 C ATOM 0 H ALA A 62 11.646 5.759 0.696 1.00 0.00 H new ATOM 0 HA ALA A 62 8.892 5.433 -0.050 1.00 0.00 H new ATOM 0 HB1 ALA A 62 9.755 3.394 -1.153 1.00 0.00 H new ATOM 0 HB2 ALA A 62 10.742 4.824 -1.541 1.00 0.00 H new ATOM 0 HB3 ALA A 62 11.325 3.636 -0.352 1.00 0.00 H new ATOM 867 N ILE A 63 10.189 3.454 2.251 1.00 0.00 N ATOM 868 CA ILE A 63 9.846 2.532 3.327 1.00 0.00 C ATOM 869 C ILE A 63 8.859 3.167 4.300 1.00 0.00 C ATOM 870 O ILE A 63 7.898 2.529 4.731 1.00 0.00 O ATOM 871 CB ILE A 63 11.098 2.082 4.103 1.00 0.00 C ATOM 872 CG1 ILE A 63 12.033 1.288 3.189 1.00 0.00 C ATOM 873 CG2 ILE A 63 10.700 1.250 5.313 1.00 0.00 C ATOM 874 CD1 ILE A 63 13.475 1.297 3.646 1.00 0.00 C ATOM 0 H ILE A 63 11.184 3.664 2.177 1.00 0.00 H new ATOM 0 HA ILE A 63 9.385 1.661 2.862 1.00 0.00 H new ATOM 0 HB ILE A 63 11.628 2.968 4.453 1.00 0.00 H new ATOM 0 HG12 ILE A 63 11.684 0.257 3.133 1.00 0.00 H new ATOM 0 HG13 ILE A 63 11.977 1.698 2.181 1.00 0.00 H new ATOM 0 HG21 ILE A 63 11.595 0.939 5.851 1.00 0.00 H new ATOM 0 HG22 ILE A 63 10.069 1.846 5.972 1.00 0.00 H new ATOM 0 HG23 ILE A 63 10.151 0.368 4.983 1.00 0.00 H new ATOM 0 HD11 ILE A 63 14.080 0.715 2.951 1.00 0.00 H new ATOM 0 HD12 ILE A 63 13.841 2.323 3.675 1.00 0.00 H new ATOM 0 HD13 ILE A 63 13.544 0.859 4.642 1.00 0.00 H new ATOM 886 N ALA A 64 9.101 4.428 4.642 1.00 0.00 N ATOM 887 CA ALA A 64 8.232 5.151 5.562 1.00 0.00 C ATOM 888 C ALA A 64 6.840 5.340 4.968 1.00 0.00 C ATOM 889 O ALA A 64 5.867 4.756 5.444 1.00 0.00 O ATOM 890 CB ALA A 64 8.843 6.498 5.917 1.00 0.00 C ATOM 0 H ALA A 64 9.892 4.970 4.295 1.00 0.00 H new ATOM 0 HA ALA A 64 8.134 4.558 6.471 1.00 0.00 H new ATOM 0 HB1 ALA A 64 8.183 7.027 6.605 1.00 0.00 H new ATOM 0 HB2 ALA A 64 9.813 6.344 6.390 1.00 0.00 H new ATOM 0 HB3 ALA A 64 8.972 7.089 5.010 1.00 0.00 H new ATOM 896 N SER A 65 6.753 6.159 3.925 1.00 0.00 N ATOM 897 CA SER A 65 5.479 6.429 3.269 1.00 0.00 C ATOM 898 C SER A 65 4.612 5.174 3.231 1.00 0.00 C ATOM 899 O SER A 65 3.424 5.217 3.553 1.00 0.00 O ATOM 900 CB SER A 65 5.712 6.944 1.847 1.00 0.00 C ATOM 901 OG SER A 65 6.014 8.328 1.849 1.00 0.00 O ATOM 0 H SER A 65 7.550 6.647 3.516 1.00 0.00 H new ATOM 0 HA SER A 65 4.957 7.194 3.844 1.00 0.00 H new ATOM 0 HB2 SER A 65 6.530 6.391 1.386 1.00 0.00 H new ATOM 0 HB3 SER A 65 4.824 6.763 1.241 1.00 0.00 H new ATOM 0 HG SER A 65 6.160 8.632 0.929 1.00 0.00 H new ATOM 907 N SER A 66 5.214 4.057 2.836 1.00 0.00 N ATOM 908 CA SER A 66 4.497 2.790 2.752 1.00 0.00 C ATOM 909 C SER A 66 3.967 2.374 4.121 1.00 0.00 C ATOM 910 O SER A 66 2.772 2.134 4.289 1.00 0.00 O ATOM 911 CB SER A 66 5.411 1.698 2.193 1.00 0.00 C ATOM 912 OG SER A 66 6.187 2.187 1.112 1.00 0.00 O ATOM 0 H SER A 66 6.197 4.004 2.569 1.00 0.00 H new ATOM 0 HA SER A 66 3.650 2.924 2.079 1.00 0.00 H new ATOM 0 HB2 SER A 66 6.069 1.332 2.981 1.00 0.00 H new ATOM 0 HB3 SER A 66 4.810 0.852 1.860 1.00 0.00 H new ATOM 0 HG SER A 66 6.982 2.642 1.460 1.00 0.00 H new ATOM 918 N SER A 67 4.867 2.291 5.096 1.00 0.00 N ATOM 919 CA SER A 67 4.492 1.900 6.450 1.00 0.00 C ATOM 920 C SER A 67 3.259 2.668 6.915 1.00 0.00 C ATOM 921 O SER A 67 2.361 2.104 7.543 1.00 0.00 O ATOM 922 CB SER A 67 5.654 2.146 7.414 1.00 0.00 C ATOM 923 OG SER A 67 5.683 3.496 7.844 1.00 0.00 O ATOM 0 H SER A 67 5.860 2.489 4.974 1.00 0.00 H new ATOM 0 HA SER A 67 4.254 0.836 6.442 1.00 0.00 H new ATOM 0 HB2 SER A 67 5.560 1.488 8.278 1.00 0.00 H new ATOM 0 HB3 SER A 67 6.596 1.897 6.925 1.00 0.00 H new ATOM 0 HG SER A 67 5.863 4.080 7.078 1.00 0.00 H new ATOM 929 N LEU A 68 3.221 3.959 6.604 1.00 0.00 N ATOM 930 CA LEU A 68 2.098 4.807 6.989 1.00 0.00 C ATOM 931 C LEU A 68 0.851 4.459 6.183 1.00 0.00 C ATOM 932 O LEU A 68 -0.256 4.421 6.719 1.00 0.00 O ATOM 933 CB LEU A 68 2.455 6.281 6.789 1.00 0.00 C ATOM 934 CG LEU A 68 1.279 7.259 6.768 1.00 0.00 C ATOM 935 CD1 LEU A 68 1.708 8.620 7.293 1.00 0.00 C ATOM 936 CD2 LEU A 68 0.713 7.382 5.361 1.00 0.00 C ATOM 0 H LEU A 68 3.955 4.442 6.086 1.00 0.00 H new ATOM 0 HA LEU A 68 1.886 4.631 8.044 1.00 0.00 H new ATOM 0 HB2 LEU A 68 3.137 6.580 7.585 1.00 0.00 H new ATOM 0 HB3 LEU A 68 3.000 6.378 5.850 1.00 0.00 H new ATOM 0 HG LEU A 68 0.496 6.871 7.420 1.00 0.00 H new ATOM 0 HD11 LEU A 68 0.859 9.303 7.271 1.00 0.00 H new ATOM 0 HD12 LEU A 68 2.065 8.519 8.318 1.00 0.00 H new ATOM 0 HD13 LEU A 68 2.508 9.016 6.667 1.00 0.00 H new ATOM 0 HD21 LEU A 68 -0.123 8.082 5.365 1.00 0.00 H new ATOM 0 HD22 LEU A 68 1.488 7.747 4.687 1.00 0.00 H new ATOM 0 HD23 LEU A 68 0.367 6.406 5.021 1.00 0.00 H new ATOM 948 N ALA A 69 1.040 4.204 4.892 1.00 0.00 N ATOM 949 CA ALA A 69 -0.069 3.855 4.013 1.00 0.00 C ATOM 950 C ALA A 69 -0.682 2.515 4.407 1.00 0.00 C ATOM 951 O ALA A 69 -1.857 2.439 4.766 1.00 0.00 O ATOM 952 CB ALA A 69 0.396 3.819 2.565 1.00 0.00 C ATOM 0 H ALA A 69 1.950 4.233 4.432 1.00 0.00 H new ATOM 0 HA ALA A 69 -0.837 4.621 4.118 1.00 0.00 H new ATOM 0 HB1 ALA A 69 -0.443 3.557 1.920 1.00 0.00 H new ATOM 0 HB2 ALA A 69 0.779 4.799 2.282 1.00 0.00 H new ATOM 0 HB3 ALA A 69 1.185 3.075 2.455 1.00 0.00 H new ATOM 958 N THR A 70 0.123 1.459 4.338 1.00 0.00 N ATOM 959 CA THR A 70 -0.341 0.121 4.685 1.00 0.00 C ATOM 960 C THR A 70 -1.132 0.135 5.988 1.00 0.00 C ATOM 961 O THR A 70 -1.981 -0.725 6.217 1.00 0.00 O ATOM 962 CB THR A 70 0.836 -0.863 4.822 1.00 0.00 C ATOM 963 OG1 THR A 70 0.377 -2.206 4.633 1.00 0.00 O ATOM 964 CG2 THR A 70 1.492 -0.734 6.189 1.00 0.00 C ATOM 0 H THR A 70 1.099 1.504 4.045 1.00 0.00 H new ATOM 0 HA THR A 70 -0.989 -0.210 3.873 1.00 0.00 H new ATOM 0 HB THR A 70 1.574 -0.621 4.057 1.00 0.00 H new ATOM 0 HG1 THR A 70 0.826 -2.798 5.272 1.00 0.00 H new ATOM 0 HG21 THR A 70 2.320 -1.438 6.263 1.00 0.00 H new ATOM 0 HG22 THR A 70 1.866 0.281 6.319 1.00 0.00 H new ATOM 0 HG23 THR A 70 0.760 -0.952 6.966 1.00 0.00 H new ATOM 972 N GLU A 71 -0.847 1.116 6.838 1.00 0.00 N ATOM 973 CA GLU A 71 -1.533 1.240 8.119 1.00 0.00 C ATOM 974 C GLU A 71 -2.850 1.994 7.960 1.00 0.00 C ATOM 975 O GLU A 71 -3.815 1.736 8.679 1.00 0.00 O ATOM 976 CB GLU A 71 -0.640 1.959 9.133 1.00 0.00 C ATOM 977 CG GLU A 71 -1.354 2.317 10.426 1.00 0.00 C ATOM 978 CD GLU A 71 -0.424 2.325 11.623 1.00 0.00 C ATOM 979 OE1 GLU A 71 0.763 2.672 11.450 1.00 0.00 O ATOM 980 OE2 GLU A 71 -0.884 1.985 12.733 1.00 0.00 O ATOM 0 H GLU A 71 -0.146 1.836 6.663 1.00 0.00 H new ATOM 0 HA GLU A 71 -1.751 0.236 8.484 1.00 0.00 H new ATOM 0 HB2 GLU A 71 0.216 1.325 9.364 1.00 0.00 H new ATOM 0 HB3 GLU A 71 -0.249 2.870 8.679 1.00 0.00 H new ATOM 0 HG2 GLU A 71 -1.815 3.299 10.322 1.00 0.00 H new ATOM 0 HG3 GLU A 71 -2.160 1.604 10.601 1.00 0.00 H new ATOM 987 N TRP A 72 -2.881 2.926 7.014 1.00 0.00 N ATOM 988 CA TRP A 72 -4.079 3.717 6.760 1.00 0.00 C ATOM 989 C TRP A 72 -5.169 2.866 6.119 1.00 0.00 C ATOM 990 O TRP A 72 -6.346 2.986 6.460 1.00 0.00 O ATOM 991 CB TRP A 72 -3.748 4.907 5.858 1.00 0.00 C ATOM 992 CG TRP A 72 -3.184 6.079 6.603 1.00 0.00 C ATOM 993 CD1 TRP A 72 -2.834 6.120 7.922 1.00 0.00 C ATOM 994 CD2 TRP A 72 -2.908 7.380 6.072 1.00 0.00 C ATOM 995 NE1 TRP A 72 -2.357 7.368 8.243 1.00 0.00 N ATOM 996 CE2 TRP A 72 -2.391 8.159 7.125 1.00 0.00 C ATOM 997 CE3 TRP A 72 -3.045 7.961 4.808 1.00 0.00 C ATOM 998 CZ2 TRP A 72 -2.013 9.487 6.952 1.00 0.00 C ATOM 999 CZ3 TRP A 72 -2.670 9.280 4.638 1.00 0.00 C ATOM 1000 CH2 TRP A 72 -2.158 10.032 5.705 1.00 0.00 C ATOM 0 H TRP A 72 -2.090 3.152 6.411 1.00 0.00 H new ATOM 0 HA TRP A 72 -4.449 4.086 7.717 1.00 0.00 H new ATOM 0 HB2 TRP A 72 -3.033 4.590 5.099 1.00 0.00 H new ATOM 0 HB3 TRP A 72 -4.652 5.219 5.334 1.00 0.00 H new ATOM 0 HD1 TRP A 72 -2.919 5.293 8.612 1.00 0.00 H new ATOM 0 HE1 TRP A 72 -2.030 7.658 9.165 1.00 0.00 H new ATOM 0 HE3 TRP A 72 -3.437 7.389 3.980 1.00 0.00 H new ATOM 0 HZ2 TRP A 72 -1.619 10.067 7.773 1.00 0.00 H new ATOM 0 HZ3 TRP A 72 -2.773 9.740 3.666 1.00 0.00 H new ATOM 0 HH2 TRP A 72 -1.873 11.060 5.540 1.00 0.00 H new ATOM 1011 N VAL A 73 -4.771 2.003 5.190 1.00 0.00 N ATOM 1012 CA VAL A 73 -5.714 1.130 4.502 1.00 0.00 C ATOM 1013 C VAL A 73 -6.418 0.200 5.484 1.00 0.00 C ATOM 1014 O VAL A 73 -7.547 -0.230 5.249 1.00 0.00 O ATOM 1015 CB VAL A 73 -5.012 0.284 3.423 1.00 0.00 C ATOM 1016 CG1 VAL A 73 -4.326 1.180 2.404 1.00 0.00 C ATOM 1017 CG2 VAL A 73 -4.015 -0.672 4.062 1.00 0.00 C ATOM 0 H VAL A 73 -3.801 1.890 4.896 1.00 0.00 H new ATOM 0 HA VAL A 73 -6.452 1.775 4.024 1.00 0.00 H new ATOM 0 HB VAL A 73 -5.765 -0.307 2.902 1.00 0.00 H new ATOM 0 HG11 VAL A 73 -3.836 0.564 1.650 1.00 0.00 H new ATOM 0 HG12 VAL A 73 -5.067 1.820 1.925 1.00 0.00 H new ATOM 0 HG13 VAL A 73 -3.583 1.799 2.906 1.00 0.00 H new ATOM 0 HG21 VAL A 73 -3.528 -1.262 3.286 1.00 0.00 H new ATOM 0 HG22 VAL A 73 -3.264 -0.102 4.610 1.00 0.00 H new ATOM 0 HG23 VAL A 73 -4.538 -1.337 4.749 1.00 0.00 H new ATOM 1027 N LYS A 74 -5.743 -0.107 6.587 1.00 0.00 N ATOM 1028 CA LYS A 74 -6.303 -0.985 7.607 1.00 0.00 C ATOM 1029 C LYS A 74 -7.520 -0.345 8.268 1.00 0.00 C ATOM 1030 O LYS A 74 -7.496 0.832 8.626 1.00 0.00 O ATOM 1031 CB LYS A 74 -5.246 -1.309 8.666 1.00 0.00 C ATOM 1032 CG LYS A 74 -4.117 -2.184 8.149 1.00 0.00 C ATOM 1033 CD LYS A 74 -3.114 -2.504 9.245 1.00 0.00 C ATOM 1034 CE LYS A 74 -1.747 -2.840 8.669 1.00 0.00 C ATOM 1035 NZ LYS A 74 -0.659 -2.626 9.663 1.00 0.00 N ATOM 0 H LYS A 74 -4.807 0.240 6.797 1.00 0.00 H new ATOM 0 HA LYS A 74 -6.619 -1.909 7.122 1.00 0.00 H new ATOM 0 HB2 LYS A 74 -4.828 -0.377 9.047 1.00 0.00 H new ATOM 0 HB3 LYS A 74 -5.727 -1.809 9.506 1.00 0.00 H new ATOM 0 HG2 LYS A 74 -4.528 -3.111 7.748 1.00 0.00 H new ATOM 0 HG3 LYS A 74 -3.610 -1.678 7.327 1.00 0.00 H new ATOM 0 HD2 LYS A 74 -3.026 -1.652 9.919 1.00 0.00 H new ATOM 0 HD3 LYS A 74 -3.477 -3.344 9.838 1.00 0.00 H new ATOM 0 HE2 LYS A 74 -1.738 -3.878 8.338 1.00 0.00 H new ATOM 0 HE3 LYS A 74 -1.562 -2.223 7.789 1.00 0.00 H new ATOM 0 HZ1 LYS A 74 0.257 -2.866 9.232 1.00 0.00 H new ATOM 0 HZ2 LYS A 74 -0.651 -1.629 9.960 1.00 0.00 H new ATOM 0 HZ3 LYS A 74 -0.822 -3.233 10.492 1.00 0.00 H new ATOM 1049 N GLY A 75 -8.582 -1.128 8.427 1.00 0.00 N ATOM 1050 CA GLY A 75 -9.793 -0.620 9.046 1.00 0.00 C ATOM 1051 C GLY A 75 -10.763 -0.044 8.034 1.00 0.00 C ATOM 1052 O GLY A 75 -11.978 -0.094 8.228 1.00 0.00 O ATOM 0 H GLY A 75 -8.626 -2.105 8.138 1.00 0.00 H new ATOM 0 HA2 GLY A 75 -10.281 -1.425 9.596 1.00 0.00 H new ATOM 0 HA3 GLY A 75 -9.531 0.149 9.772 1.00 0.00 H new ATOM 1056 N LYS A 76 -10.227 0.509 6.951 1.00 0.00 N ATOM 1057 CA LYS A 76 -11.053 1.099 5.904 1.00 0.00 C ATOM 1058 C LYS A 76 -11.367 0.075 4.818 1.00 0.00 C ATOM 1059 O LYS A 76 -10.783 -1.009 4.782 1.00 0.00 O ATOM 1060 CB LYS A 76 -10.346 2.309 5.290 1.00 0.00 C ATOM 1061 CG LYS A 76 -9.818 3.293 6.320 1.00 0.00 C ATOM 1062 CD LYS A 76 -8.635 4.081 5.783 1.00 0.00 C ATOM 1063 CE LYS A 76 -9.089 5.294 4.985 1.00 0.00 C ATOM 1064 NZ LYS A 76 -9.206 4.990 3.532 1.00 0.00 N ATOM 0 H LYS A 76 -9.224 0.561 6.775 1.00 0.00 H new ATOM 0 HA LYS A 76 -11.991 1.424 6.355 1.00 0.00 H new ATOM 0 HB2 LYS A 76 -9.517 1.961 4.674 1.00 0.00 H new ATOM 0 HB3 LYS A 76 -11.040 2.827 4.627 1.00 0.00 H new ATOM 0 HG2 LYS A 76 -10.613 3.980 6.609 1.00 0.00 H new ATOM 0 HG3 LYS A 76 -9.520 2.755 7.219 1.00 0.00 H new ATOM 0 HD2 LYS A 76 -8.005 4.404 6.612 1.00 0.00 H new ATOM 0 HD3 LYS A 76 -8.024 3.436 5.151 1.00 0.00 H new ATOM 0 HE2 LYS A 76 -10.052 5.638 5.363 1.00 0.00 H new ATOM 0 HE3 LYS A 76 -8.381 6.110 5.129 1.00 0.00 H new ATOM 0 HZ1 LYS A 76 -9.935 5.598 3.108 1.00 0.00 H new ATOM 0 HZ2 LYS A 76 -8.293 5.167 3.066 1.00 0.00 H new ATOM 0 HZ3 LYS A 76 -9.471 3.992 3.406 1.00 0.00 H new ATOM 1078 N THR A 77 -12.294 0.425 3.931 1.00 0.00 N ATOM 1079 CA THR A 77 -12.685 -0.462 2.843 1.00 0.00 C ATOM 1080 C THR A 77 -11.952 -0.110 1.554 1.00 0.00 C ATOM 1081 O THR A 77 -11.478 1.014 1.385 1.00 0.00 O ATOM 1082 CB THR A 77 -14.203 -0.403 2.589 1.00 0.00 C ATOM 1083 OG1 THR A 77 -14.567 0.889 2.091 1.00 0.00 O ATOM 1084 CG2 THR A 77 -14.978 -0.697 3.865 1.00 0.00 C ATOM 0 H THR A 77 -12.788 1.317 3.945 1.00 0.00 H new ATOM 0 HA THR A 77 -12.413 -1.473 3.147 1.00 0.00 H new ATOM 0 HB THR A 77 -14.454 -1.162 1.848 1.00 0.00 H new ATOM 0 HG1 THR A 77 -15.533 0.917 1.931 1.00 0.00 H new ATOM 0 HG21 THR A 77 -16.048 -0.649 3.660 1.00 0.00 H new ATOM 0 HG22 THR A 77 -14.721 -1.693 4.225 1.00 0.00 H new ATOM 0 HG23 THR A 77 -14.721 0.041 4.625 1.00 0.00 H new ATOM 1092 N VAL A 78 -11.862 -1.077 0.647 1.00 0.00 N ATOM 1093 CA VAL A 78 -11.187 -0.868 -0.629 1.00 0.00 C ATOM 1094 C VAL A 78 -11.572 0.474 -1.241 1.00 0.00 C ATOM 1095 O VAL A 78 -10.725 1.191 -1.771 1.00 0.00 O ATOM 1096 CB VAL A 78 -11.520 -1.990 -1.630 1.00 0.00 C ATOM 1097 CG1 VAL A 78 -10.993 -3.326 -1.129 1.00 0.00 C ATOM 1098 CG2 VAL A 78 -13.019 -2.057 -1.877 1.00 0.00 C ATOM 0 H VAL A 78 -12.248 -2.013 0.772 1.00 0.00 H new ATOM 0 HA VAL A 78 -10.116 -0.878 -0.426 1.00 0.00 H new ATOM 0 HB VAL A 78 -11.030 -1.765 -2.577 1.00 0.00 H new ATOM 0 HG11 VAL A 78 -11.238 -4.107 -1.849 1.00 0.00 H new ATOM 0 HG12 VAL A 78 -9.911 -3.269 -1.009 1.00 0.00 H new ATOM 0 HG13 VAL A 78 -11.452 -3.561 -0.169 1.00 0.00 H new ATOM 0 HG21 VAL A 78 -13.235 -2.855 -2.587 1.00 0.00 H new ATOM 0 HG22 VAL A 78 -13.534 -2.257 -0.937 1.00 0.00 H new ATOM 0 HG23 VAL A 78 -13.364 -1.106 -2.284 1.00 0.00 H new ATOM 1108 N GLU A 79 -12.857 0.808 -1.163 1.00 0.00 N ATOM 1109 CA GLU A 79 -13.354 2.065 -1.710 1.00 0.00 C ATOM 1110 C GLU A 79 -12.668 3.255 -1.047 1.00 0.00 C ATOM 1111 O GLU A 79 -12.301 4.223 -1.713 1.00 0.00 O ATOM 1112 CB GLU A 79 -14.869 2.165 -1.521 1.00 0.00 C ATOM 1113 CG GLU A 79 -15.635 0.993 -2.110 1.00 0.00 C ATOM 1114 CD GLU A 79 -17.085 0.961 -1.666 1.00 0.00 C ATOM 1115 OE1 GLU A 79 -17.336 0.644 -0.485 1.00 0.00 O ATOM 1116 OE2 GLU A 79 -17.968 1.252 -2.500 1.00 0.00 O ATOM 0 H GLU A 79 -13.572 0.226 -0.727 1.00 0.00 H new ATOM 0 HA GLU A 79 -13.126 2.084 -2.776 1.00 0.00 H new ATOM 0 HB2 GLU A 79 -15.090 2.234 -0.456 1.00 0.00 H new ATOM 0 HB3 GLU A 79 -15.224 3.088 -1.980 1.00 0.00 H new ATOM 0 HG2 GLU A 79 -15.593 1.046 -3.198 1.00 0.00 H new ATOM 0 HG3 GLU A 79 -15.149 0.062 -1.818 1.00 0.00 H new ATOM 1123 N GLU A 80 -12.499 3.176 0.269 1.00 0.00 N ATOM 1124 CA GLU A 80 -11.858 4.248 1.022 1.00 0.00 C ATOM 1125 C GLU A 80 -10.420 4.456 0.556 1.00 0.00 C ATOM 1126 O GLU A 80 -10.022 5.570 0.215 1.00 0.00 O ATOM 1127 CB GLU A 80 -11.880 3.934 2.520 1.00 0.00 C ATOM 1128 CG GLU A 80 -13.277 3.717 3.076 1.00 0.00 C ATOM 1129 CD GLU A 80 -14.062 5.009 3.203 1.00 0.00 C ATOM 1130 OE1 GLU A 80 -14.509 5.535 2.162 1.00 0.00 O ATOM 1131 OE2 GLU A 80 -14.227 5.493 4.341 1.00 0.00 O ATOM 0 H GLU A 80 -12.797 2.382 0.835 1.00 0.00 H new ATOM 0 HA GLU A 80 -12.416 5.167 0.843 1.00 0.00 H new ATOM 0 HB2 GLU A 80 -11.282 3.041 2.704 1.00 0.00 H new ATOM 0 HB3 GLU A 80 -11.406 4.753 3.061 1.00 0.00 H new ATOM 0 HG2 GLU A 80 -13.819 3.029 2.427 1.00 0.00 H new ATOM 0 HG3 GLU A 80 -13.205 3.242 4.055 1.00 0.00 H new ATOM 1138 N ALA A 81 -9.646 3.376 0.546 1.00 0.00 N ATOM 1139 CA ALA A 81 -8.253 3.439 0.121 1.00 0.00 C ATOM 1140 C ALA A 81 -8.123 4.128 -1.234 1.00 0.00 C ATOM 1141 O ALA A 81 -7.192 4.901 -1.462 1.00 0.00 O ATOM 1142 CB ALA A 81 -7.655 2.041 0.064 1.00 0.00 C ATOM 0 H ALA A 81 -9.960 2.447 0.827 1.00 0.00 H new ATOM 0 HA ALA A 81 -7.702 4.029 0.853 1.00 0.00 H new ATOM 0 HB1 ALA A 81 -6.615 2.103 -0.255 1.00 0.00 H new ATOM 0 HB2 ALA A 81 -7.705 1.583 1.052 1.00 0.00 H new ATOM 0 HB3 ALA A 81 -8.216 1.434 -0.646 1.00 0.00 H new ATOM 1148 N LEU A 82 -9.060 3.842 -2.130 1.00 0.00 N ATOM 1149 CA LEU A 82 -9.050 4.433 -3.463 1.00 0.00 C ATOM 1150 C LEU A 82 -9.045 5.957 -3.383 1.00 0.00 C ATOM 1151 O LEU A 82 -8.622 6.638 -4.318 1.00 0.00 O ATOM 1152 CB LEU A 82 -10.264 3.958 -4.263 1.00 0.00 C ATOM 1153 CG LEU A 82 -10.051 2.718 -5.133 1.00 0.00 C ATOM 1154 CD1 LEU A 82 -8.974 2.976 -6.175 1.00 0.00 C ATOM 1155 CD2 LEU A 82 -9.686 1.518 -4.272 1.00 0.00 C ATOM 0 H LEU A 82 -9.837 3.204 -1.958 1.00 0.00 H new ATOM 0 HA LEU A 82 -8.140 4.110 -3.969 1.00 0.00 H new ATOM 0 HB2 LEU A 82 -11.076 3.753 -3.565 1.00 0.00 H new ATOM 0 HB3 LEU A 82 -10.594 4.775 -4.905 1.00 0.00 H new ATOM 0 HG LEU A 82 -10.984 2.497 -5.651 1.00 0.00 H new ATOM 0 HD11 LEU A 82 -8.836 2.083 -6.785 1.00 0.00 H new ATOM 0 HD12 LEU A 82 -9.276 3.807 -6.812 1.00 0.00 H new ATOM 0 HD13 LEU A 82 -8.037 3.223 -5.676 1.00 0.00 H new ATOM 0 HD21 LEU A 82 -9.538 0.645 -4.908 1.00 0.00 H new ATOM 0 HD22 LEU A 82 -8.767 1.728 -3.725 1.00 0.00 H new ATOM 0 HD23 LEU A 82 -10.491 1.319 -3.565 1.00 0.00 H new ATOM 1167 N THR A 83 -9.516 6.487 -2.259 1.00 0.00 N ATOM 1168 CA THR A 83 -9.565 7.929 -2.055 1.00 0.00 C ATOM 1169 C THR A 83 -8.226 8.460 -1.559 1.00 0.00 C ATOM 1170 O THR A 83 -7.897 9.629 -1.762 1.00 0.00 O ATOM 1171 CB THR A 83 -10.664 8.317 -1.048 1.00 0.00 C ATOM 1172 OG1 THR A 83 -10.240 8.007 0.284 1.00 0.00 O ATOM 1173 CG2 THR A 83 -11.963 7.587 -1.355 1.00 0.00 C ATOM 0 H THR A 83 -9.869 5.938 -1.475 1.00 0.00 H new ATOM 0 HA THR A 83 -9.794 8.377 -3.022 1.00 0.00 H new ATOM 0 HB THR A 83 -10.840 9.389 -1.132 1.00 0.00 H new ATOM 0 HG1 THR A 83 -9.806 7.129 0.293 1.00 0.00 H new ATOM 0 HG21 THR A 83 -12.724 7.877 -0.630 1.00 0.00 H new ATOM 0 HG22 THR A 83 -12.299 7.849 -2.358 1.00 0.00 H new ATOM 0 HG23 THR A 83 -11.798 6.511 -1.297 1.00 0.00 H new ATOM 1181 N ILE A 84 -7.456 7.594 -0.908 1.00 0.00 N ATOM 1182 CA ILE A 84 -6.151 7.977 -0.384 1.00 0.00 C ATOM 1183 C ILE A 84 -5.260 8.540 -1.486 1.00 0.00 C ATOM 1184 O ILE A 84 -4.847 7.820 -2.395 1.00 0.00 O ATOM 1185 CB ILE A 84 -5.437 6.782 0.277 1.00 0.00 C ATOM 1186 CG1 ILE A 84 -6.258 6.259 1.457 1.00 0.00 C ATOM 1187 CG2 ILE A 84 -4.042 7.184 0.732 1.00 0.00 C ATOM 1188 CD1 ILE A 84 -5.670 5.024 2.102 1.00 0.00 C ATOM 0 H ILE A 84 -7.713 6.623 -0.731 1.00 0.00 H new ATOM 0 HA ILE A 84 -6.326 8.747 0.368 1.00 0.00 H new ATOM 0 HB ILE A 84 -5.342 5.983 -0.458 1.00 0.00 H new ATOM 0 HG12 ILE A 84 -6.343 7.045 2.207 1.00 0.00 H new ATOM 0 HG13 ILE A 84 -7.268 6.034 1.115 1.00 0.00 H new ATOM 0 HG21 ILE A 84 -3.551 6.329 1.197 1.00 0.00 H new ATOM 0 HG22 ILE A 84 -3.460 7.514 -0.128 1.00 0.00 H new ATOM 0 HG23 ILE A 84 -4.115 7.997 1.454 1.00 0.00 H new ATOM 0 HD11 ILE A 84 -6.304 4.709 2.931 1.00 0.00 H new ATOM 0 HD12 ILE A 84 -5.611 4.222 1.366 1.00 0.00 H new ATOM 0 HD13 ILE A 84 -4.671 5.249 2.475 1.00 0.00 H new ATOM 1200 N LYS A 85 -4.965 9.833 -1.397 1.00 0.00 N ATOM 1201 CA LYS A 85 -4.121 10.495 -2.384 1.00 0.00 C ATOM 1202 C LYS A 85 -2.659 10.479 -1.948 1.00 0.00 C ATOM 1203 O LYS A 85 -2.331 10.003 -0.862 1.00 0.00 O ATOM 1204 CB LYS A 85 -4.584 11.938 -2.597 1.00 0.00 C ATOM 1205 CG LYS A 85 -6.043 12.054 -3.002 1.00 0.00 C ATOM 1206 CD LYS A 85 -6.657 13.354 -2.510 1.00 0.00 C ATOM 1207 CE LYS A 85 -7.217 13.209 -1.103 1.00 0.00 C ATOM 1208 NZ LYS A 85 -8.413 12.322 -1.072 1.00 0.00 N ATOM 0 H LYS A 85 -5.298 10.443 -0.651 1.00 0.00 H new ATOM 0 HA LYS A 85 -4.208 9.949 -3.324 1.00 0.00 H new ATOM 0 HB2 LYS A 85 -4.425 12.501 -1.678 1.00 0.00 H new ATOM 0 HB3 LYS A 85 -3.964 12.400 -3.365 1.00 0.00 H new ATOM 0 HG2 LYS A 85 -6.126 12.000 -4.088 1.00 0.00 H new ATOM 0 HG3 LYS A 85 -6.602 11.210 -2.597 1.00 0.00 H new ATOM 0 HD2 LYS A 85 -5.903 14.141 -2.523 1.00 0.00 H new ATOM 0 HD3 LYS A 85 -7.452 13.662 -3.189 1.00 0.00 H new ATOM 0 HE2 LYS A 85 -6.447 12.805 -0.445 1.00 0.00 H new ATOM 0 HE3 LYS A 85 -7.483 14.192 -0.715 1.00 0.00 H new ATOM 0 HZ1 LYS A 85 -8.903 12.432 -0.162 1.00 0.00 H new ATOM 0 HZ2 LYS A 85 -9.057 12.581 -1.846 1.00 0.00 H new ATOM 0 HZ3 LYS A 85 -8.114 11.332 -1.187 1.00 0.00 H new ATOM 1222 N ASN A 86 -1.785 11.003 -2.801 1.00 0.00 N ATOM 1223 CA ASN A 86 -0.359 11.049 -2.503 1.00 0.00 C ATOM 1224 C ASN A 86 0.005 12.345 -1.785 1.00 0.00 C ATOM 1225 O ASN A 86 0.716 12.333 -0.779 1.00 0.00 O ATOM 1226 CB ASN A 86 0.458 10.919 -3.790 1.00 0.00 C ATOM 1227 CG ASN A 86 0.757 12.265 -4.423 1.00 0.00 C ATOM 1228 OD1 ASN A 86 1.536 13.054 -3.890 1.00 0.00 O ATOM 1229 ND2 ASN A 86 0.136 12.532 -5.566 1.00 0.00 N ATOM 0 H ASN A 86 -2.040 11.402 -3.705 1.00 0.00 H new ATOM 0 HA ASN A 86 -0.124 10.212 -1.846 1.00 0.00 H new ATOM 0 HB2 ASN A 86 1.395 10.407 -3.572 1.00 0.00 H new ATOM 0 HB3 ASN A 86 -0.086 10.299 -4.502 1.00 0.00 H new ATOM 0 HD21 ASN A 86 0.297 13.422 -6.038 1.00 0.00 H new ATOM 0 HD22 ASN A 86 -0.502 11.847 -5.972 1.00 0.00 H new ATOM 1236 N THR A 87 -0.487 13.464 -2.309 1.00 0.00 N ATOM 1237 CA THR A 87 -0.214 14.768 -1.719 1.00 0.00 C ATOM 1238 C THR A 87 -0.352 14.726 -0.202 1.00 0.00 C ATOM 1239 O THR A 87 0.430 15.345 0.520 1.00 0.00 O ATOM 1240 CB THR A 87 -1.161 15.847 -2.280 1.00 0.00 C ATOM 1241 OG1 THR A 87 -1.167 16.990 -1.417 1.00 0.00 O ATOM 1242 CG2 THR A 87 -2.575 15.305 -2.422 1.00 0.00 C ATOM 0 H THR A 87 -1.077 13.493 -3.141 1.00 0.00 H new ATOM 0 HA THR A 87 0.813 15.024 -1.980 1.00 0.00 H new ATOM 0 HB THR A 87 -0.800 16.139 -3.266 1.00 0.00 H new ATOM 0 HG1 THR A 87 -1.770 17.672 -1.781 1.00 0.00 H new ATOM 0 HG21 THR A 87 -3.225 16.084 -2.820 1.00 0.00 H new ATOM 0 HG22 THR A 87 -2.572 14.453 -3.102 1.00 0.00 H new ATOM 0 HG23 THR A 87 -2.943 14.988 -1.446 1.00 0.00 H new ATOM 1250 N ASP A 88 -1.351 13.991 0.276 1.00 0.00 N ATOM 1251 CA ASP A 88 -1.590 13.867 1.709 1.00 0.00 C ATOM 1252 C ASP A 88 -0.444 13.124 2.389 1.00 0.00 C ATOM 1253 O ASP A 88 0.195 13.649 3.301 1.00 0.00 O ATOM 1254 CB ASP A 88 -2.910 13.138 1.966 1.00 0.00 C ATOM 1255 CG ASP A 88 -3.581 13.591 3.249 1.00 0.00 C ATOM 1256 OD1 ASP A 88 -3.922 14.787 3.349 1.00 0.00 O ATOM 1257 OD2 ASP A 88 -3.763 12.748 4.152 1.00 0.00 O ATOM 0 H ASP A 88 -2.007 13.473 -0.308 1.00 0.00 H new ATOM 0 HA ASP A 88 -1.650 14.870 2.131 1.00 0.00 H new ATOM 0 HB2 ASP A 88 -3.585 13.308 1.127 1.00 0.00 H new ATOM 0 HB3 ASP A 88 -2.726 12.065 2.015 1.00 0.00 H new ATOM 1262 N ILE A 89 -0.191 11.899 1.940 1.00 0.00 N ATOM 1263 CA ILE A 89 0.878 11.085 2.505 1.00 0.00 C ATOM 1264 C ILE A 89 2.152 11.902 2.692 1.00 0.00 C ATOM 1265 O ILE A 89 2.676 12.007 3.801 1.00 0.00 O ATOM 1266 CB ILE A 89 1.189 9.868 1.613 1.00 0.00 C ATOM 1267 CG1 ILE A 89 -0.069 9.020 1.412 1.00 0.00 C ATOM 1268 CG2 ILE A 89 2.303 9.033 2.227 1.00 0.00 C ATOM 1269 CD1 ILE A 89 0.116 7.889 0.425 1.00 0.00 C ATOM 0 H ILE A 89 -0.711 11.449 1.187 1.00 0.00 H new ATOM 0 HA ILE A 89 0.528 10.735 3.476 1.00 0.00 H new ATOM 0 HB ILE A 89 1.523 10.226 0.639 1.00 0.00 H new ATOM 0 HG12 ILE A 89 -0.376 8.606 2.373 1.00 0.00 H new ATOM 0 HG13 ILE A 89 -0.879 9.663 1.068 1.00 0.00 H new ATOM 0 HG21 ILE A 89 2.512 8.177 1.586 1.00 0.00 H new ATOM 0 HG22 ILE A 89 3.202 9.641 2.324 1.00 0.00 H new ATOM 0 HG23 ILE A 89 1.994 8.682 3.212 1.00 0.00 H new ATOM 0 HD11 ILE A 89 -0.816 7.331 0.333 1.00 0.00 H new ATOM 0 HD12 ILE A 89 0.393 8.296 -0.547 1.00 0.00 H new ATOM 0 HD13 ILE A 89 0.904 7.224 0.778 1.00 0.00 H new ATOM 1281 N ALA A 90 2.643 12.480 1.602 1.00 0.00 N ATOM 1282 CA ALA A 90 3.853 13.292 1.647 1.00 0.00 C ATOM 1283 C ALA A 90 3.882 14.166 2.896 1.00 0.00 C ATOM 1284 O ALA A 90 4.890 14.229 3.600 1.00 0.00 O ATOM 1285 CB ALA A 90 3.959 14.152 0.396 1.00 0.00 C ATOM 0 H ALA A 90 2.222 12.401 0.676 1.00 0.00 H new ATOM 0 HA ALA A 90 4.710 12.620 1.686 1.00 0.00 H new ATOM 0 HB1 ALA A 90 4.867 14.753 0.443 1.00 0.00 H new ATOM 0 HB2 ALA A 90 3.994 13.511 -0.485 1.00 0.00 H new ATOM 0 HB3 ALA A 90 3.092 14.809 0.332 1.00 0.00 H new ATOM 1291 N LYS A 91 2.769 14.841 3.165 1.00 0.00 N ATOM 1292 CA LYS A 91 2.665 15.712 4.330 1.00 0.00 C ATOM 1293 C LYS A 91 2.962 14.942 5.613 1.00 0.00 C ATOM 1294 O LYS A 91 3.910 15.258 6.331 1.00 0.00 O ATOM 1295 CB LYS A 91 1.269 16.332 4.406 1.00 0.00 C ATOM 1296 CG LYS A 91 1.221 17.631 5.193 1.00 0.00 C ATOM 1297 CD LYS A 91 -0.208 18.045 5.500 1.00 0.00 C ATOM 1298 CE LYS A 91 -0.295 19.518 5.867 1.00 0.00 C ATOM 1299 NZ LYS A 91 -1.518 19.821 6.660 1.00 0.00 N ATOM 0 H LYS A 91 1.926 14.801 2.592 1.00 0.00 H new ATOM 0 HA LYS A 91 3.403 16.507 4.225 1.00 0.00 H new ATOM 0 HB2 LYS A 91 0.907 16.516 3.394 1.00 0.00 H new ATOM 0 HB3 LYS A 91 0.587 15.615 4.863 1.00 0.00 H new ATOM 0 HG2 LYS A 91 1.775 17.514 6.125 1.00 0.00 H new ATOM 0 HG3 LYS A 91 1.715 18.420 4.626 1.00 0.00 H new ATOM 0 HD2 LYS A 91 -0.839 17.847 4.634 1.00 0.00 H new ATOM 0 HD3 LYS A 91 -0.594 17.441 6.321 1.00 0.00 H new ATOM 0 HE2 LYS A 91 0.588 19.802 6.439 1.00 0.00 H new ATOM 0 HE3 LYS A 91 -0.293 20.119 4.958 1.00 0.00 H new ATOM 0 HZ1 LYS A 91 -1.540 20.835 6.890 1.00 0.00 H new ATOM 0 HZ2 LYS A 91 -2.362 19.573 6.105 1.00 0.00 H new ATOM 0 HZ3 LYS A 91 -1.508 19.266 7.540 1.00 0.00 H new ATOM 1313 N GLU A 92 2.146 13.931 5.894 1.00 0.00 N ATOM 1314 CA GLU A 92 2.323 13.117 7.091 1.00 0.00 C ATOM 1315 C GLU A 92 3.804 12.930 7.407 1.00 0.00 C ATOM 1316 O GLU A 92 4.247 13.178 8.529 1.00 0.00 O ATOM 1317 CB GLU A 92 1.652 11.754 6.911 1.00 0.00 C ATOM 1318 CG GLU A 92 0.462 11.781 5.966 1.00 0.00 C ATOM 1319 CD GLU A 92 -0.574 12.815 6.362 1.00 0.00 C ATOM 1320 OE1 GLU A 92 -1.382 12.528 7.270 1.00 0.00 O ATOM 1321 OE2 GLU A 92 -0.576 13.911 5.765 1.00 0.00 O ATOM 0 H GLU A 92 1.356 13.656 5.310 1.00 0.00 H new ATOM 0 HA GLU A 92 1.854 13.637 7.926 1.00 0.00 H new ATOM 0 HB2 GLU A 92 2.388 11.043 6.535 1.00 0.00 H new ATOM 0 HB3 GLU A 92 1.324 11.389 7.884 1.00 0.00 H new ATOM 0 HG2 GLU A 92 0.811 11.990 4.955 1.00 0.00 H new ATOM 0 HG3 GLU A 92 -0.003 10.795 5.945 1.00 0.00 H new ATOM 1328 N LEU A 93 4.564 12.490 6.411 1.00 0.00 N ATOM 1329 CA LEU A 93 5.996 12.268 6.582 1.00 0.00 C ATOM 1330 C LEU A 93 6.773 13.569 6.411 1.00 0.00 C ATOM 1331 O LEU A 93 7.897 13.701 6.897 1.00 0.00 O ATOM 1332 CB LEU A 93 6.494 11.228 5.577 1.00 0.00 C ATOM 1333 CG LEU A 93 5.744 9.895 5.563 1.00 0.00 C ATOM 1334 CD1 LEU A 93 5.263 9.538 6.961 1.00 0.00 C ATOM 1335 CD2 LEU A 93 4.574 9.953 4.592 1.00 0.00 C ATOM 0 H LEU A 93 4.213 12.280 5.477 1.00 0.00 H new ATOM 0 HA LEU A 93 6.163 11.897 7.593 1.00 0.00 H new ATOM 0 HB2 LEU A 93 6.441 11.662 4.579 1.00 0.00 H new ATOM 0 HB3 LEU A 93 7.546 11.028 5.782 1.00 0.00 H new ATOM 0 HG LEU A 93 6.430 9.117 5.228 1.00 0.00 H new ATOM 0 HD11 LEU A 93 4.732 8.587 6.931 1.00 0.00 H new ATOM 0 HD12 LEU A 93 6.119 9.455 7.630 1.00 0.00 H new ATOM 0 HD13 LEU A 93 4.593 10.317 7.325 1.00 0.00 H new ATOM 0 HD21 LEU A 93 4.051 8.996 4.594 1.00 0.00 H new ATOM 0 HD22 LEU A 93 3.887 10.743 4.897 1.00 0.00 H new ATOM 0 HD23 LEU A 93 4.944 10.162 3.588 1.00 0.00 H new ATOM 1347 N CYS A 94 6.166 14.528 5.721 1.00 0.00 N ATOM 1348 CA CYS A 94 6.800 15.821 5.487 1.00 0.00 C ATOM 1349 C CYS A 94 8.079 15.659 4.672 1.00 0.00 C ATOM 1350 O CYS A 94 9.126 16.203 5.026 1.00 0.00 O ATOM 1351 CB CYS A 94 7.112 16.507 6.818 1.00 0.00 C ATOM 1352 SG CYS A 94 5.653 16.866 7.823 1.00 0.00 S ATOM 0 H CYS A 94 5.236 14.435 5.314 1.00 0.00 H new ATOM 0 HA CYS A 94 6.106 16.442 4.921 1.00 0.00 H new ATOM 0 HB2 CYS A 94 7.788 15.873 7.392 1.00 0.00 H new ATOM 0 HB3 CYS A 94 7.641 17.439 6.619 1.00 0.00 H new ATOM 0 HG CYS A 94 4.643 16.176 7.383 1.00 0.00 H new ATOM 1358 N LEU A 95 7.988 14.908 3.580 1.00 0.00 N ATOM 1359 CA LEU A 95 9.138 14.673 2.715 1.00 0.00 C ATOM 1360 C LEU A 95 9.304 15.808 1.709 1.00 0.00 C ATOM 1361 O LEU A 95 8.346 16.488 1.340 1.00 0.00 O ATOM 1362 CB LEU A 95 8.983 13.342 1.978 1.00 0.00 C ATOM 1363 CG LEU A 95 7.760 13.216 1.070 1.00 0.00 C ATOM 1364 CD1 LEU A 95 8.071 13.744 -0.322 1.00 0.00 C ATOM 1365 CD2 LEU A 95 7.293 11.769 1.001 1.00 0.00 C ATOM 0 H LEU A 95 7.129 14.451 3.273 1.00 0.00 H new ATOM 0 HA LEU A 95 10.030 14.633 3.341 1.00 0.00 H new ATOM 0 HB2 LEU A 95 9.876 13.177 1.376 1.00 0.00 H new ATOM 0 HB3 LEU A 95 8.945 12.542 2.718 1.00 0.00 H new ATOM 0 HG LEU A 95 6.955 13.817 1.493 1.00 0.00 H new ATOM 0 HD11 LEU A 95 7.188 13.646 -0.954 1.00 0.00 H new ATOM 0 HD12 LEU A 95 8.356 14.794 -0.258 1.00 0.00 H new ATOM 0 HD13 LEU A 95 8.892 13.171 -0.754 1.00 0.00 H new ATOM 0 HD21 LEU A 95 6.421 11.699 0.350 1.00 0.00 H new ATOM 0 HD22 LEU A 95 8.094 11.147 0.603 1.00 0.00 H new ATOM 0 HD23 LEU A 95 7.028 11.424 2.001 1.00 0.00 H new ATOM 1377 N PRO A 96 10.547 16.018 1.252 1.00 0.00 N ATOM 1378 CA PRO A 96 10.867 17.068 0.280 1.00 0.00 C ATOM 1379 C PRO A 96 10.304 16.767 -1.104 1.00 0.00 C ATOM 1380 O PRO A 96 9.813 15.671 -1.377 1.00 0.00 O ATOM 1381 CB PRO A 96 12.398 17.066 0.247 1.00 0.00 C ATOM 1382 CG PRO A 96 12.784 15.689 0.665 1.00 0.00 C ATOM 1383 CD PRO A 96 11.737 15.246 1.649 1.00 0.00 C ATOM 0 HA PRO A 96 10.434 18.028 0.560 1.00 0.00 H new ATOM 0 HB2 PRO A 96 12.773 17.297 -0.750 1.00 0.00 H new ATOM 0 HB3 PRO A 96 12.810 17.815 0.923 1.00 0.00 H new ATOM 0 HG2 PRO A 96 12.823 15.017 -0.193 1.00 0.00 H new ATOM 0 HG3 PRO A 96 13.775 15.683 1.120 1.00 0.00 H new ATOM 0 HD2 PRO A 96 11.558 14.172 1.589 1.00 0.00 H new ATOM 0 HD3 PRO A 96 12.033 15.463 2.675 1.00 0.00 H new ATOM 1391 N PRO A 97 10.375 17.762 -2.002 1.00 0.00 N ATOM 1392 CA PRO A 97 9.878 17.627 -3.374 1.00 0.00 C ATOM 1393 C PRO A 97 10.733 16.680 -4.210 1.00 0.00 C ATOM 1394 O PRO A 97 10.325 16.248 -5.288 1.00 0.00 O ATOM 1395 CB PRO A 97 9.965 19.052 -3.925 1.00 0.00 C ATOM 1396 CG PRO A 97 11.032 19.706 -3.117 1.00 0.00 C ATOM 1397 CD PRO A 97 10.947 19.094 -1.746 1.00 0.00 C ATOM 0 HA PRO A 97 8.874 17.204 -3.403 1.00 0.00 H new ATOM 0 HB2 PRO A 97 10.216 19.052 -4.986 1.00 0.00 H new ATOM 0 HB3 PRO A 97 9.014 19.575 -3.822 1.00 0.00 H new ATOM 0 HG2 PRO A 97 12.014 19.538 -3.559 1.00 0.00 H new ATOM 0 HG3 PRO A 97 10.882 20.785 -3.073 1.00 0.00 H new ATOM 0 HD2 PRO A 97 11.927 19.026 -1.275 1.00 0.00 H new ATOM 0 HD3 PRO A 97 10.314 19.682 -1.082 1.00 0.00 H new ATOM 1405 N VAL A 98 11.920 16.359 -3.704 1.00 0.00 N ATOM 1406 CA VAL A 98 12.831 15.462 -4.404 1.00 0.00 C ATOM 1407 C VAL A 98 12.464 14.003 -4.156 1.00 0.00 C ATOM 1408 O VAL A 98 12.647 13.149 -5.023 1.00 0.00 O ATOM 1409 CB VAL A 98 14.291 15.694 -3.969 1.00 0.00 C ATOM 1410 CG1 VAL A 98 14.431 15.537 -2.463 1.00 0.00 C ATOM 1411 CG2 VAL A 98 15.222 14.740 -4.702 1.00 0.00 C ATOM 0 H VAL A 98 12.273 16.707 -2.812 1.00 0.00 H new ATOM 0 HA VAL A 98 12.737 15.681 -5.468 1.00 0.00 H new ATOM 0 HB VAL A 98 14.573 16.714 -4.231 1.00 0.00 H new ATOM 0 HG11 VAL A 98 15.469 15.704 -2.175 1.00 0.00 H new ATOM 0 HG12 VAL A 98 13.793 16.264 -1.961 1.00 0.00 H new ATOM 0 HG13 VAL A 98 14.132 14.530 -2.173 1.00 0.00 H new ATOM 0 HG21 VAL A 98 16.249 14.917 -4.383 1.00 0.00 H new ATOM 0 HG22 VAL A 98 14.943 13.712 -4.473 1.00 0.00 H new ATOM 0 HG23 VAL A 98 15.142 14.907 -5.776 1.00 0.00 H new ATOM 1421 N LYS A 99 11.945 13.724 -2.965 1.00 0.00 N ATOM 1422 CA LYS A 99 11.549 12.369 -2.601 1.00 0.00 C ATOM 1423 C LYS A 99 10.058 12.155 -2.838 1.00 0.00 C ATOM 1424 O LYS A 99 9.436 11.294 -2.213 1.00 0.00 O ATOM 1425 CB LYS A 99 11.888 12.093 -1.135 1.00 0.00 C ATOM 1426 CG LYS A 99 13.352 12.313 -0.797 1.00 0.00 C ATOM 1427 CD LYS A 99 14.237 11.255 -1.433 1.00 0.00 C ATOM 1428 CE LYS A 99 15.678 11.728 -1.547 1.00 0.00 C ATOM 1429 NZ LYS A 99 16.332 11.838 -0.213 1.00 0.00 N ATOM 0 H LYS A 99 11.789 14.419 -2.235 1.00 0.00 H new ATOM 0 HA LYS A 99 12.102 11.674 -3.233 1.00 0.00 H new ATOM 0 HB2 LYS A 99 11.277 12.737 -0.502 1.00 0.00 H new ATOM 0 HB3 LYS A 99 11.619 11.064 -0.896 1.00 0.00 H new ATOM 0 HG2 LYS A 99 13.661 13.301 -1.140 1.00 0.00 H new ATOM 0 HG3 LYS A 99 13.483 12.296 0.285 1.00 0.00 H new ATOM 0 HD2 LYS A 99 14.199 10.342 -0.839 1.00 0.00 H new ATOM 0 HD3 LYS A 99 13.855 11.007 -2.423 1.00 0.00 H new ATOM 0 HE2 LYS A 99 16.240 11.033 -2.171 1.00 0.00 H new ATOM 0 HE3 LYS A 99 15.704 12.697 -2.045 1.00 0.00 H new ATOM 0 HZ1 LYS A 99 17.313 12.163 -0.333 1.00 0.00 H new ATOM 0 HZ2 LYS A 99 15.811 12.520 0.374 1.00 0.00 H new ATOM 0 HZ3 LYS A 99 16.330 10.908 0.252 1.00 0.00 H new ATOM 1443 N LEU A 100 9.489 12.941 -3.746 1.00 0.00 N ATOM 1444 CA LEU A 100 8.070 12.836 -4.067 1.00 0.00 C ATOM 1445 C LEU A 100 7.736 11.453 -4.615 1.00 0.00 C ATOM 1446 O LEU A 100 6.727 10.852 -4.243 1.00 0.00 O ATOM 1447 CB LEU A 100 7.676 13.909 -5.083 1.00 0.00 C ATOM 1448 CG LEU A 100 7.185 15.236 -4.503 1.00 0.00 C ATOM 1449 CD1 LEU A 100 7.159 16.312 -5.578 1.00 0.00 C ATOM 1450 CD2 LEU A 100 5.806 15.068 -3.881 1.00 0.00 C ATOM 0 H LEU A 100 9.989 13.658 -4.273 1.00 0.00 H new ATOM 0 HA LEU A 100 7.503 12.989 -3.149 1.00 0.00 H new ATOM 0 HB2 LEU A 100 8.537 14.111 -5.720 1.00 0.00 H new ATOM 0 HB3 LEU A 100 6.893 13.504 -5.724 1.00 0.00 H new ATOM 0 HG LEU A 100 7.879 15.548 -3.722 1.00 0.00 H new ATOM 0 HD11 LEU A 100 6.807 17.249 -5.146 1.00 0.00 H new ATOM 0 HD12 LEU A 100 8.163 16.451 -5.978 1.00 0.00 H new ATOM 0 HD13 LEU A 100 6.488 16.008 -6.381 1.00 0.00 H new ATOM 0 HD21 LEU A 100 5.472 16.022 -3.473 1.00 0.00 H new ATOM 0 HD22 LEU A 100 5.102 14.732 -4.642 1.00 0.00 H new ATOM 0 HD23 LEU A 100 5.855 14.329 -3.081 1.00 0.00 H new ATOM 1462 N HIS A 101 8.591 10.951 -5.501 1.00 0.00 N ATOM 1463 CA HIS A 101 8.388 9.636 -6.100 1.00 0.00 C ATOM 1464 C HIS A 101 7.827 8.654 -5.076 1.00 0.00 C ATOM 1465 O HIS A 101 7.019 7.787 -5.411 1.00 0.00 O ATOM 1466 CB HIS A 101 9.704 9.103 -6.667 1.00 0.00 C ATOM 1467 CG HIS A 101 10.702 8.728 -5.615 1.00 0.00 C ATOM 1468 ND1 HIS A 101 11.345 9.655 -4.823 1.00 0.00 N ATOM 1469 CD2 HIS A 101 11.165 7.517 -5.226 1.00 0.00 C ATOM 1470 CE1 HIS A 101 12.161 9.031 -3.993 1.00 0.00 C ATOM 1471 NE2 HIS A 101 12.071 7.733 -4.217 1.00 0.00 N ATOM 0 H HIS A 101 9.431 11.435 -5.820 1.00 0.00 H new ATOM 0 HA HIS A 101 7.667 9.740 -6.911 1.00 0.00 H new ATOM 0 HB2 HIS A 101 9.496 8.230 -7.286 1.00 0.00 H new ATOM 0 HB3 HIS A 101 10.142 9.859 -7.318 1.00 0.00 H new ATOM 0 HD2 HIS A 101 10.876 6.559 -5.633 1.00 0.00 H new ATOM 0 HE1 HIS A 101 12.794 9.502 -3.256 1.00 0.00 H new ATOM 0 HE2 HIS A 101 12.590 7.008 -3.721 1.00 0.00 H new ATOM 1479 N CYS A 102 8.260 8.796 -3.828 1.00 0.00 N ATOM 1480 CA CYS A 102 7.802 7.920 -2.756 1.00 0.00 C ATOM 1481 C CYS A 102 6.359 8.236 -2.374 1.00 0.00 C ATOM 1482 O CYS A 102 5.527 7.337 -2.254 1.00 0.00 O ATOM 1483 CB CYS A 102 8.708 8.061 -1.532 1.00 0.00 C ATOM 1484 SG CYS A 102 10.402 7.488 -1.798 1.00 0.00 S ATOM 0 H CYS A 102 8.927 9.509 -3.534 1.00 0.00 H new ATOM 0 HA CYS A 102 7.847 6.892 -3.116 1.00 0.00 H new ATOM 0 HB2 CYS A 102 8.733 9.108 -1.231 1.00 0.00 H new ATOM 0 HB3 CYS A 102 8.272 7.501 -0.704 1.00 0.00 H new ATOM 0 HG CYS A 102 10.663 7.482 -3.071 1.00 0.00 H new ATOM 1490 N SER A 103 6.071 9.520 -2.184 1.00 0.00 N ATOM 1491 CA SER A 103 4.730 9.955 -1.810 1.00 0.00 C ATOM 1492 C SER A 103 3.684 9.354 -2.745 1.00 0.00 C ATOM 1493 O SER A 103 2.589 8.992 -2.317 1.00 0.00 O ATOM 1494 CB SER A 103 4.640 11.481 -1.839 1.00 0.00 C ATOM 1495 OG SER A 103 4.826 11.979 -3.153 1.00 0.00 O ATOM 0 H SER A 103 6.748 10.277 -2.283 1.00 0.00 H new ATOM 0 HA SER A 103 4.530 9.606 -0.797 1.00 0.00 H new ATOM 0 HB2 SER A 103 3.668 11.798 -1.461 1.00 0.00 H new ATOM 0 HB3 SER A 103 5.394 11.905 -1.176 1.00 0.00 H new ATOM 0 HG SER A 103 5.387 11.357 -3.662 1.00 0.00 H new ATOM 1501 N MET A 104 4.031 9.253 -4.024 1.00 0.00 N ATOM 1502 CA MET A 104 3.124 8.696 -5.020 1.00 0.00 C ATOM 1503 C MET A 104 3.212 7.174 -5.045 1.00 0.00 C ATOM 1504 O MET A 104 2.224 6.488 -5.314 1.00 0.00 O ATOM 1505 CB MET A 104 3.444 9.260 -6.406 1.00 0.00 C ATOM 1506 CG MET A 104 4.862 8.965 -6.868 1.00 0.00 C ATOM 1507 SD MET A 104 5.247 9.728 -8.456 1.00 0.00 S ATOM 1508 CE MET A 104 5.059 11.463 -8.053 1.00 0.00 C ATOM 0 H MET A 104 4.934 9.550 -4.395 1.00 0.00 H new ATOM 0 HA MET A 104 2.107 8.979 -4.747 1.00 0.00 H new ATOM 0 HB2 MET A 104 2.741 8.846 -7.129 1.00 0.00 H new ATOM 0 HB3 MET A 104 3.291 10.339 -6.395 1.00 0.00 H new ATOM 0 HG2 MET A 104 5.567 9.322 -6.117 1.00 0.00 H new ATOM 0 HG3 MET A 104 4.998 7.886 -6.945 1.00 0.00 H new ATOM 0 HE1 MET A 104 5.835 12.040 -8.556 1.00 0.00 H new ATOM 0 HE2 MET A 104 4.079 11.809 -8.382 1.00 0.00 H new ATOM 0 HE3 MET A 104 5.148 11.598 -6.975 1.00 0.00 H new ATOM 1518 N LEU A 105 4.400 6.650 -4.763 1.00 0.00 N ATOM 1519 CA LEU A 105 4.617 5.207 -4.753 1.00 0.00 C ATOM 1520 C LEU A 105 3.654 4.518 -3.792 1.00 0.00 C ATOM 1521 O LEU A 105 3.152 3.431 -4.074 1.00 0.00 O ATOM 1522 CB LEU A 105 6.061 4.892 -4.360 1.00 0.00 C ATOM 1523 CG LEU A 105 6.613 3.553 -4.850 1.00 0.00 C ATOM 1524 CD1 LEU A 105 7.025 3.647 -6.311 1.00 0.00 C ATOM 1525 CD2 LEU A 105 7.790 3.114 -3.990 1.00 0.00 C ATOM 0 H LEU A 105 5.228 7.202 -4.538 1.00 0.00 H new ATOM 0 HA LEU A 105 4.430 4.829 -5.758 1.00 0.00 H new ATOM 0 HB2 LEU A 105 6.702 5.687 -4.740 1.00 0.00 H new ATOM 0 HB3 LEU A 105 6.134 4.916 -3.273 1.00 0.00 H new ATOM 0 HG LEU A 105 5.825 2.804 -4.763 1.00 0.00 H new ATOM 0 HD11 LEU A 105 7.415 2.684 -6.642 1.00 0.00 H new ATOM 0 HD12 LEU A 105 6.159 3.915 -6.917 1.00 0.00 H new ATOM 0 HD13 LEU A 105 7.796 4.409 -6.423 1.00 0.00 H new ATOM 0 HD21 LEU A 105 8.170 2.159 -4.353 1.00 0.00 H new ATOM 0 HD22 LEU A 105 8.580 3.863 -4.044 1.00 0.00 H new ATOM 0 HD23 LEU A 105 7.464 3.005 -2.956 1.00 0.00 H new ATOM 1537 N ALA A 106 3.399 5.160 -2.656 1.00 0.00 N ATOM 1538 CA ALA A 106 2.493 4.610 -1.655 1.00 0.00 C ATOM 1539 C ALA A 106 1.060 4.569 -2.176 1.00 0.00 C ATOM 1540 O ALA A 106 0.346 3.588 -1.975 1.00 0.00 O ATOM 1541 CB ALA A 106 2.568 5.425 -0.373 1.00 0.00 C ATOM 0 H ALA A 106 3.807 6.061 -2.406 1.00 0.00 H new ATOM 0 HA ALA A 106 2.803 3.587 -1.441 1.00 0.00 H new ATOM 0 HB1 ALA A 106 1.887 5.004 0.366 1.00 0.00 H new ATOM 0 HB2 ALA A 106 3.586 5.399 0.016 1.00 0.00 H new ATOM 0 HB3 ALA A 106 2.285 6.457 -0.581 1.00 0.00 H new ATOM 1547 N GLU A 107 0.647 5.641 -2.845 1.00 0.00 N ATOM 1548 CA GLU A 107 -0.701 5.727 -3.392 1.00 0.00 C ATOM 1549 C GLU A 107 -0.905 4.698 -4.501 1.00 0.00 C ATOM 1550 O GLU A 107 -1.876 3.941 -4.489 1.00 0.00 O ATOM 1551 CB GLU A 107 -0.969 7.134 -3.932 1.00 0.00 C ATOM 1552 CG GLU A 107 -2.397 7.342 -4.407 1.00 0.00 C ATOM 1553 CD GLU A 107 -2.495 8.353 -5.533 1.00 0.00 C ATOM 1554 OE1 GLU A 107 -1.571 8.398 -6.372 1.00 0.00 O ATOM 1555 OE2 GLU A 107 -3.495 9.100 -5.574 1.00 0.00 O ATOM 0 H GLU A 107 1.227 6.462 -3.021 1.00 0.00 H new ATOM 0 HA GLU A 107 -1.405 5.514 -2.588 1.00 0.00 H new ATOM 0 HB2 GLU A 107 -0.745 7.862 -3.152 1.00 0.00 H new ATOM 0 HB3 GLU A 107 -0.287 7.333 -4.759 1.00 0.00 H new ATOM 0 HG2 GLU A 107 -2.807 6.389 -4.742 1.00 0.00 H new ATOM 0 HG3 GLU A 107 -3.010 7.676 -3.570 1.00 0.00 H new ATOM 1562 N ASP A 108 0.017 4.677 -5.457 1.00 0.00 N ATOM 1563 CA ASP A 108 -0.059 3.742 -6.573 1.00 0.00 C ATOM 1564 C ASP A 108 -0.174 2.306 -6.071 1.00 0.00 C ATOM 1565 O ASP A 108 -0.994 1.530 -6.561 1.00 0.00 O ATOM 1566 CB ASP A 108 1.170 3.885 -7.471 1.00 0.00 C ATOM 1567 CG ASP A 108 0.871 3.551 -8.920 1.00 0.00 C ATOM 1568 OD1 ASP A 108 -0.318 3.578 -9.301 1.00 0.00 O ATOM 1569 OD2 ASP A 108 1.825 3.265 -9.672 1.00 0.00 O ATOM 0 H ASP A 108 0.826 5.297 -5.481 1.00 0.00 H new ATOM 0 HA ASP A 108 -0.951 3.978 -7.153 1.00 0.00 H new ATOM 0 HB2 ASP A 108 1.546 4.906 -7.407 1.00 0.00 H new ATOM 0 HB3 ASP A 108 1.961 3.230 -7.106 1.00 0.00 H new ATOM 1574 N ALA A 109 0.655 1.958 -5.092 1.00 0.00 N ATOM 1575 CA ALA A 109 0.646 0.616 -4.524 1.00 0.00 C ATOM 1576 C ALA A 109 -0.742 0.247 -4.010 1.00 0.00 C ATOM 1577 O ALA A 109 -1.266 -0.822 -4.323 1.00 0.00 O ATOM 1578 CB ALA A 109 1.671 0.510 -3.405 1.00 0.00 C ATOM 0 H ALA A 109 1.341 2.587 -4.676 1.00 0.00 H new ATOM 0 HA ALA A 109 0.912 -0.088 -5.313 1.00 0.00 H new ATOM 0 HB1 ALA A 109 1.653 -0.498 -2.990 1.00 0.00 H new ATOM 0 HB2 ALA A 109 2.664 0.722 -3.800 1.00 0.00 H new ATOM 0 HB3 ALA A 109 1.431 1.229 -2.622 1.00 0.00 H new ATOM 1584 N ILE A 110 -1.331 1.138 -3.218 1.00 0.00 N ATOM 1585 CA ILE A 110 -2.657 0.905 -2.662 1.00 0.00 C ATOM 1586 C ILE A 110 -3.662 0.565 -3.758 1.00 0.00 C ATOM 1587 O ILE A 110 -4.198 -0.542 -3.803 1.00 0.00 O ATOM 1588 CB ILE A 110 -3.163 2.131 -1.880 1.00 0.00 C ATOM 1589 CG1 ILE A 110 -2.245 2.418 -0.689 1.00 0.00 C ATOM 1590 CG2 ILE A 110 -4.593 1.908 -1.411 1.00 0.00 C ATOM 1591 CD1 ILE A 110 -2.456 3.787 -0.080 1.00 0.00 C ATOM 0 H ILE A 110 -0.910 2.027 -2.948 1.00 0.00 H new ATOM 0 HA ILE A 110 -2.568 0.060 -1.979 1.00 0.00 H new ATOM 0 HB ILE A 110 -3.150 2.996 -2.543 1.00 0.00 H new ATOM 0 HG12 ILE A 110 -2.408 1.659 0.077 1.00 0.00 H new ATOM 0 HG13 ILE A 110 -1.207 2.328 -1.010 1.00 0.00 H new ATOM 0 HG21 ILE A 110 -4.936 2.784 -0.860 1.00 0.00 H new ATOM 0 HG22 ILE A 110 -5.238 1.747 -2.275 1.00 0.00 H new ATOM 0 HG23 ILE A 110 -4.631 1.033 -0.762 1.00 0.00 H new ATOM 0 HD11 ILE A 110 -1.772 3.922 0.758 1.00 0.00 H new ATOM 0 HD12 ILE A 110 -2.264 4.553 -0.831 1.00 0.00 H new ATOM 0 HD13 ILE A 110 -3.484 3.874 0.272 1.00 0.00 H new ATOM 1603 N LYS A 111 -3.911 1.525 -4.642 1.00 0.00 N ATOM 1604 CA LYS A 111 -4.848 1.328 -5.741 1.00 0.00 C ATOM 1605 C LYS A 111 -4.625 -0.023 -6.412 1.00 0.00 C ATOM 1606 O LYS A 111 -5.551 -0.822 -6.544 1.00 0.00 O ATOM 1607 CB LYS A 111 -4.702 2.451 -6.771 1.00 0.00 C ATOM 1608 CG LYS A 111 -5.520 3.688 -6.442 1.00 0.00 C ATOM 1609 CD LYS A 111 -4.749 4.647 -5.551 1.00 0.00 C ATOM 1610 CE LYS A 111 -5.650 5.740 -4.996 1.00 0.00 C ATOM 1611 NZ LYS A 111 -5.692 6.930 -5.890 1.00 0.00 N ATOM 0 H LYS A 111 -3.477 2.448 -4.619 1.00 0.00 H new ATOM 0 HA LYS A 111 -5.858 1.348 -5.331 1.00 0.00 H new ATOM 0 HB2 LYS A 111 -3.651 2.730 -6.846 1.00 0.00 H new ATOM 0 HB3 LYS A 111 -5.003 2.077 -7.750 1.00 0.00 H new ATOM 0 HG2 LYS A 111 -5.802 4.195 -7.365 1.00 0.00 H new ATOM 0 HG3 LYS A 111 -6.444 3.392 -5.946 1.00 0.00 H new ATOM 0 HD2 LYS A 111 -4.295 4.095 -4.728 1.00 0.00 H new ATOM 0 HD3 LYS A 111 -3.935 5.098 -6.119 1.00 0.00 H new ATOM 0 HE2 LYS A 111 -6.659 5.348 -4.865 1.00 0.00 H new ATOM 0 HE3 LYS A 111 -5.294 6.039 -4.010 1.00 0.00 H new ATOM 0 HZ1 LYS A 111 -6.656 7.320 -5.904 1.00 0.00 H new ATOM 0 HZ2 LYS A 111 -5.031 7.652 -5.538 1.00 0.00 H new ATOM 0 HZ3 LYS A 111 -5.418 6.650 -6.854 1.00 0.00 H new ATOM 1625 N ALA A 112 -3.389 -0.272 -6.834 1.00 0.00 N ATOM 1626 CA ALA A 112 -3.044 -1.528 -7.487 1.00 0.00 C ATOM 1627 C ALA A 112 -3.585 -2.721 -6.706 1.00 0.00 C ATOM 1628 O ALA A 112 -4.082 -3.683 -7.290 1.00 0.00 O ATOM 1629 CB ALA A 112 -1.535 -1.641 -7.649 1.00 0.00 C ATOM 0 H ALA A 112 -2.611 0.380 -6.735 1.00 0.00 H new ATOM 0 HA ALA A 112 -3.506 -1.534 -8.474 1.00 0.00 H new ATOM 0 HB1 ALA A 112 -1.291 -2.584 -8.138 1.00 0.00 H new ATOM 0 HB2 ALA A 112 -1.171 -0.812 -8.257 1.00 0.00 H new ATOM 0 HB3 ALA A 112 -1.060 -1.608 -6.668 1.00 0.00 H new ATOM 1635 N ALA A 113 -3.484 -2.650 -5.383 1.00 0.00 N ATOM 1636 CA ALA A 113 -3.964 -3.724 -4.522 1.00 0.00 C ATOM 1637 C ALA A 113 -5.456 -3.965 -4.726 1.00 0.00 C ATOM 1638 O ALA A 113 -5.859 -4.987 -5.283 1.00 0.00 O ATOM 1639 CB ALA A 113 -3.675 -3.400 -3.064 1.00 0.00 C ATOM 0 H ALA A 113 -3.074 -1.860 -4.884 1.00 0.00 H new ATOM 0 HA ALA A 113 -3.434 -4.638 -4.792 1.00 0.00 H new ATOM 0 HB1 ALA A 113 -4.039 -4.210 -2.432 1.00 0.00 H new ATOM 0 HB2 ALA A 113 -2.600 -3.284 -2.923 1.00 0.00 H new ATOM 0 HB3 ALA A 113 -4.179 -2.473 -2.791 1.00 0.00 H new ATOM 1645 N LEU A 114 -6.271 -3.020 -4.272 1.00 0.00 N ATOM 1646 CA LEU A 114 -7.720 -3.131 -4.405 1.00 0.00 C ATOM 1647 C LEU A 114 -8.107 -3.537 -5.823 1.00 0.00 C ATOM 1648 O LEU A 114 -8.822 -4.518 -6.025 1.00 0.00 O ATOM 1649 CB LEU A 114 -8.388 -1.803 -4.042 1.00 0.00 C ATOM 1650 CG LEU A 114 -8.004 -1.207 -2.688 1.00 0.00 C ATOM 1651 CD1 LEU A 114 -7.662 -2.309 -1.697 1.00 0.00 C ATOM 1652 CD2 LEU A 114 -6.836 -0.243 -2.841 1.00 0.00 C ATOM 0 H LEU A 114 -5.954 -2.168 -3.809 1.00 0.00 H new ATOM 0 HA LEU A 114 -8.065 -3.904 -3.719 1.00 0.00 H new ATOM 0 HB2 LEU A 114 -8.149 -1.075 -4.818 1.00 0.00 H new ATOM 0 HB3 LEU A 114 -9.468 -1.946 -4.060 1.00 0.00 H new ATOM 0 HG LEU A 114 -8.859 -0.652 -2.302 1.00 0.00 H new ATOM 0 HD11 LEU A 114 -7.391 -1.865 -0.739 1.00 0.00 H new ATOM 0 HD12 LEU A 114 -8.526 -2.960 -1.564 1.00 0.00 H new ATOM 0 HD13 LEU A 114 -6.823 -2.892 -2.077 1.00 0.00 H new ATOM 0 HD21 LEU A 114 -6.576 0.172 -1.867 1.00 0.00 H new ATOM 0 HD22 LEU A 114 -5.977 -0.775 -3.250 1.00 0.00 H new ATOM 0 HD23 LEU A 114 -7.117 0.565 -3.516 1.00 0.00 H new ATOM 1664 N ALA A 115 -7.628 -2.778 -6.803 1.00 0.00 N ATOM 1665 CA ALA A 115 -7.921 -3.061 -8.202 1.00 0.00 C ATOM 1666 C ALA A 115 -7.724 -4.541 -8.515 1.00 0.00 C ATOM 1667 O ALA A 115 -8.686 -5.262 -8.781 1.00 0.00 O ATOM 1668 CB ALA A 115 -7.045 -2.208 -9.108 1.00 0.00 C ATOM 0 H ALA A 115 -7.035 -1.962 -6.653 1.00 0.00 H new ATOM 0 HA ALA A 115 -8.966 -2.812 -8.386 1.00 0.00 H new ATOM 0 HB1 ALA A 115 -7.275 -2.430 -10.150 1.00 0.00 H new ATOM 0 HB2 ALA A 115 -7.236 -1.153 -8.911 1.00 0.00 H new ATOM 0 HB3 ALA A 115 -5.996 -2.429 -8.913 1.00 0.00 H new ATOM 1674 N ASP A 116 -6.474 -4.987 -8.482 1.00 0.00 N ATOM 1675 CA ASP A 116 -6.151 -6.381 -8.762 1.00 0.00 C ATOM 1676 C ASP A 116 -7.157 -7.316 -8.097 1.00 0.00 C ATOM 1677 O ASP A 116 -7.645 -8.261 -8.717 1.00 0.00 O ATOM 1678 CB ASP A 116 -4.737 -6.707 -8.279 1.00 0.00 C ATOM 1679 CG ASP A 116 -4.243 -8.045 -8.793 1.00 0.00 C ATOM 1680 OD1 ASP A 116 -3.901 -8.130 -9.991 1.00 0.00 O ATOM 1681 OD2 ASP A 116 -4.200 -9.007 -7.998 1.00 0.00 O ATOM 0 H ASP A 116 -5.667 -4.403 -8.264 1.00 0.00 H new ATOM 0 HA ASP A 116 -6.201 -6.530 -9.841 1.00 0.00 H new ATOM 0 HB2 ASP A 116 -4.055 -5.922 -8.605 1.00 0.00 H new ATOM 0 HB3 ASP A 116 -4.721 -6.711 -7.189 1.00 0.00 H new ATOM 1686 N TYR A 117 -7.462 -7.045 -6.833 1.00 0.00 N ATOM 1687 CA TYR A 117 -8.407 -7.864 -6.082 1.00 0.00 C ATOM 1688 C TYR A 117 -9.780 -7.859 -6.748 1.00 0.00 C ATOM 1689 O TYR A 117 -10.439 -8.894 -6.847 1.00 0.00 O ATOM 1690 CB TYR A 117 -8.523 -7.356 -4.644 1.00 0.00 C ATOM 1691 CG TYR A 117 -9.870 -7.626 -4.014 1.00 0.00 C ATOM 1692 CD1 TYR A 117 -10.134 -8.834 -3.380 1.00 0.00 C ATOM 1693 CD2 TYR A 117 -10.880 -6.672 -4.051 1.00 0.00 C ATOM 1694 CE1 TYR A 117 -11.364 -9.085 -2.804 1.00 0.00 C ATOM 1695 CE2 TYR A 117 -12.113 -6.914 -3.476 1.00 0.00 C ATOM 1696 CZ TYR A 117 -12.350 -8.122 -2.854 1.00 0.00 C ATOM 1697 OH TYR A 117 -13.576 -8.368 -2.280 1.00 0.00 O ATOM 0 H TYR A 117 -7.069 -6.265 -6.307 1.00 0.00 H new ATOM 0 HA TYR A 117 -8.033 -8.888 -6.069 1.00 0.00 H new ATOM 0 HB2 TYR A 117 -7.747 -7.825 -4.038 1.00 0.00 H new ATOM 0 HB3 TYR A 117 -8.333 -6.283 -4.630 1.00 0.00 H new ATOM 0 HD1 TYR A 117 -9.364 -9.590 -3.337 1.00 0.00 H new ATOM 0 HD2 TYR A 117 -10.698 -5.725 -4.538 1.00 0.00 H new ATOM 0 HE1 TYR A 117 -11.553 -10.030 -2.317 1.00 0.00 H new ATOM 0 HE2 TYR A 117 -12.887 -6.161 -3.513 1.00 0.00 H new ATOM 0 HH TYR A 117 -14.157 -7.588 -2.402 1.00 0.00 H new ATOM 1707 N LYS A 118 -10.205 -6.685 -7.203 1.00 0.00 N ATOM 1708 CA LYS A 118 -11.498 -6.542 -7.861 1.00 0.00 C ATOM 1709 C LYS A 118 -11.535 -7.332 -9.165 1.00 0.00 C ATOM 1710 O LYS A 118 -12.506 -8.035 -9.451 1.00 0.00 O ATOM 1711 CB LYS A 118 -11.793 -5.066 -8.137 1.00 0.00 C ATOM 1712 CG LYS A 118 -12.079 -4.258 -6.884 1.00 0.00 C ATOM 1713 CD LYS A 118 -11.708 -2.796 -7.067 1.00 0.00 C ATOM 1714 CE LYS A 118 -11.422 -2.122 -5.733 1.00 0.00 C ATOM 1715 NZ LYS A 118 -12.649 -1.519 -5.142 1.00 0.00 N ATOM 0 H LYS A 118 -9.672 -5.818 -7.128 1.00 0.00 H new ATOM 0 HA LYS A 118 -12.263 -6.940 -7.194 1.00 0.00 H new ATOM 0 HB2 LYS A 118 -10.942 -4.625 -8.657 1.00 0.00 H new ATOM 0 HB3 LYS A 118 -12.649 -4.995 -8.808 1.00 0.00 H new ATOM 0 HG2 LYS A 118 -13.137 -4.337 -6.632 1.00 0.00 H new ATOM 0 HG3 LYS A 118 -11.520 -4.674 -6.046 1.00 0.00 H new ATOM 0 HD2 LYS A 118 -10.831 -2.720 -7.710 1.00 0.00 H new ATOM 0 HD3 LYS A 118 -12.520 -2.274 -7.573 1.00 0.00 H new ATOM 0 HE2 LYS A 118 -11.006 -2.852 -5.039 1.00 0.00 H new ATOM 0 HE3 LYS A 118 -10.667 -1.348 -5.872 1.00 0.00 H new ATOM 0 HZ1 LYS A 118 -12.398 -0.998 -4.278 1.00 0.00 H new ATOM 0 HZ2 LYS A 118 -13.080 -0.866 -5.827 1.00 0.00 H new ATOM 0 HZ3 LYS A 118 -13.327 -2.272 -4.907 1.00 0.00 H new ATOM 1729 N LEU A 119 -10.472 -7.213 -9.953 1.00 0.00 N ATOM 1730 CA LEU A 119 -10.382 -7.918 -11.228 1.00 0.00 C ATOM 1731 C LEU A 119 -10.798 -9.377 -11.074 1.00 0.00 C ATOM 1732 O LEU A 119 -11.613 -9.886 -11.843 1.00 0.00 O ATOM 1733 CB LEU A 119 -8.957 -7.837 -11.778 1.00 0.00 C ATOM 1734 CG LEU A 119 -8.286 -6.465 -11.705 1.00 0.00 C ATOM 1735 CD1 LEU A 119 -6.969 -6.474 -12.466 1.00 0.00 C ATOM 1736 CD2 LEU A 119 -9.213 -5.389 -12.250 1.00 0.00 C ATOM 0 H LEU A 119 -9.661 -6.636 -9.732 1.00 0.00 H new ATOM 0 HA LEU A 119 -11.064 -7.438 -11.930 1.00 0.00 H new ATOM 0 HB2 LEU A 119 -8.338 -8.551 -11.235 1.00 0.00 H new ATOM 0 HB3 LEU A 119 -8.972 -8.157 -12.820 1.00 0.00 H new ATOM 0 HG LEU A 119 -8.076 -6.239 -10.660 1.00 0.00 H new ATOM 0 HD11 LEU A 119 -6.506 -5.489 -12.403 1.00 0.00 H new ATOM 0 HD12 LEU A 119 -6.302 -7.217 -12.030 1.00 0.00 H new ATOM 0 HD13 LEU A 119 -7.154 -6.722 -13.511 1.00 0.00 H new ATOM 0 HD21 LEU A 119 -8.719 -4.419 -12.190 1.00 0.00 H new ATOM 0 HD22 LEU A 119 -9.455 -5.610 -13.290 1.00 0.00 H new ATOM 0 HD23 LEU A 119 -10.130 -5.366 -11.661 1.00 0.00 H new ATOM 1748 N LYS A 120 -10.234 -10.045 -10.073 1.00 0.00 N ATOM 1749 CA LYS A 120 -10.549 -11.446 -9.815 1.00 0.00 C ATOM 1750 C LYS A 120 -12.033 -11.624 -9.515 1.00 0.00 C ATOM 1751 O LYS A 120 -12.654 -12.588 -9.962 1.00 0.00 O ATOM 1752 CB LYS A 120 -9.714 -11.969 -8.643 1.00 0.00 C ATOM 1753 CG LYS A 120 -8.270 -11.501 -8.668 1.00 0.00 C ATOM 1754 CD LYS A 120 -7.347 -12.503 -7.995 1.00 0.00 C ATOM 1755 CE LYS A 120 -6.833 -13.539 -8.982 1.00 0.00 C ATOM 1756 NZ LYS A 120 -6.010 -14.584 -8.312 1.00 0.00 N ATOM 0 H LYS A 120 -9.557 -9.639 -9.427 1.00 0.00 H new ATOM 0 HA LYS A 120 -10.307 -12.018 -10.711 1.00 0.00 H new ATOM 0 HB2 LYS A 120 -10.175 -11.649 -7.708 1.00 0.00 H new ATOM 0 HB3 LYS A 120 -9.734 -13.059 -8.651 1.00 0.00 H new ATOM 0 HG2 LYS A 120 -7.954 -11.350 -9.700 1.00 0.00 H new ATOM 0 HG3 LYS A 120 -8.190 -10.537 -8.165 1.00 0.00 H new ATOM 0 HD2 LYS A 120 -6.504 -11.978 -7.546 1.00 0.00 H new ATOM 0 HD3 LYS A 120 -7.879 -13.003 -7.186 1.00 0.00 H new ATOM 0 HE2 LYS A 120 -7.677 -14.010 -9.487 1.00 0.00 H new ATOM 0 HE3 LYS A 120 -6.238 -13.045 -9.750 1.00 0.00 H new ATOM 0 HZ1 LYS A 120 -5.679 -15.271 -9.019 1.00 0.00 H new ATOM 0 HZ2 LYS A 120 -5.191 -14.138 -7.852 1.00 0.00 H new ATOM 0 HZ3 LYS A 120 -6.585 -15.073 -7.597 1.00 0.00 H new ATOM 1770 N GLN A 121 -12.596 -10.688 -8.757 1.00 0.00 N ATOM 1771 CA GLN A 121 -14.008 -10.742 -8.399 1.00 0.00 C ATOM 1772 C GLN A 121 -14.889 -10.659 -9.642 1.00 0.00 C ATOM 1773 O GLN A 121 -15.939 -11.295 -9.712 1.00 0.00 O ATOM 1774 CB GLN A 121 -14.356 -9.605 -7.436 1.00 0.00 C ATOM 1775 CG GLN A 121 -13.520 -9.606 -6.167 1.00 0.00 C ATOM 1776 CD GLN A 121 -13.803 -10.802 -5.281 1.00 0.00 C ATOM 1777 OE1 GLN A 121 -14.730 -10.784 -4.471 1.00 0.00 O ATOM 1778 NE2 GLN A 121 -13.005 -11.853 -5.431 1.00 0.00 N ATOM 0 H GLN A 121 -12.096 -9.883 -8.379 1.00 0.00 H new ATOM 0 HA GLN A 121 -14.195 -11.696 -7.906 1.00 0.00 H new ATOM 0 HB2 GLN A 121 -14.223 -8.652 -7.948 1.00 0.00 H new ATOM 0 HB3 GLN A 121 -15.410 -9.677 -7.167 1.00 0.00 H new ATOM 0 HG2 GLN A 121 -12.463 -9.598 -6.433 1.00 0.00 H new ATOM 0 HG3 GLN A 121 -13.715 -8.691 -5.608 1.00 0.00 H new ATOM 0 HE21 GLN A 121 -12.248 -11.825 -6.114 1.00 0.00 H new ATOM 0 HE22 GLN A 121 -13.149 -12.688 -4.863 1.00 0.00 H new