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 33 CYS SG : rot -94:sc= 0.189 USER MOD Set 1.2: A 59 CYS SG : rot 164:sc= -1.77 USER MOD Set 1.3: A 101 HIS : no HD1:sc= -1.68 K(o=-7,f=-12!) USER MOD Set 1.4: A 102 CYS SG : rot 67:sc= -3.74 USER MOD Set 2.1: A 56 THR OG1 : rot -136:sc= 0.703 USER MOD Set 2.2: A 66 SER OG : rot -170:sc= -0.52 USER MOD Set 3.1: A 25 THR OG1 : rot -66:sc= 0.427 USER MOD Set 3.2: A 40 GLN : amide:sc= 0.389 K(o=0.82,f=0.0052) USER MOD Single : A 22 ASN : amide:sc= -0.76 K(o=-0.76,f=-2!) USER MOD Single : A 37 MET CE :methyl 144:sc= -1.89 (180deg=-5.52!) USER MOD Single : A 38 LYS NZ :NH3+ 180:sc= 0 (180deg=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+ 143:sc= -0.807 (180deg=-3.02!) USER MOD Single : A 55 LYS NZ :NH3+ -158:sc= -0.0858 (180deg=-0.465) USER MOD Single : A 61 SER OG : rot 40:sc= -1.05 USER MOD Single : A 65 SER OG : rot 90:sc= -0.622 USER MOD Single : A 67 SER OG : rot -73:sc= 1.24 USER MOD Single : A 70 THR OG1 : rot -130:sc= 0 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 -110:sc= -1.07 USER MOD Single : A 83 THR OG1 : rot -47:sc= 1.28 USER MOD Single : A 85 LYS NZ :NH3+ 159:sc= 1.33 (180deg=0.984) USER MOD Single : A 86 ASN : amide:sc= -2.8! C(o=-2.8!,f=-5.9!) USER MOD Single : A 87 THR OG1 : rot 180:sc= -0.184 USER MOD Single : A 91 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 94 CYS SG : rot 180:sc= 0 USER MOD Single : A 99 LYS NZ :NH3+ 170:sc= 0 (180deg=-0.0724) USER MOD Single : A 103 SER OG : rot -63:sc= 0.687 USER MOD Single : A 104 MET CE :methyl -126:sc= -0.0221 (180deg=-0.575) USER MOD Single : A 111 LYS NZ :NH3+ -133:sc= 0 (180deg=-0.0728) USER MOD Single : A 117 TYR OH : rot 180:sc= -0.0979 USER MOD Single : A 118 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 120 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 121 GLN : amide:sc= -0.102 X(o=-0.1,f=-0.1) USER MOD ----------------------------------------------------------------- ATOM 281 N ASN A 22 -8.818 -13.125 -2.503 1.00 0.00 N ATOM 282 CA ASN A 22 -9.345 -12.207 -1.500 1.00 0.00 C ATOM 283 C ASN A 22 -8.321 -11.128 -1.159 1.00 0.00 C ATOM 284 O ASN A 22 -8.681 -10.016 -0.771 1.00 0.00 O ATOM 285 CB ASN A 22 -9.736 -12.972 -0.234 1.00 0.00 C ATOM 286 CG ASN A 22 -8.552 -13.665 0.412 1.00 0.00 C ATOM 287 OD1 ASN A 22 -7.546 -13.939 -0.243 1.00 0.00 O ATOM 288 ND2 ASN A 22 -8.666 -13.952 1.704 1.00 0.00 N ATOM 0 HA ASN A 22 -10.231 -11.725 -1.914 1.00 0.00 H new ATOM 0 HB2 ASN A 22 -10.184 -12.281 0.481 1.00 0.00 H new ATOM 0 HB3 ASN A 22 -10.497 -13.713 -0.481 1.00 0.00 H new ATOM 0 HD21 ASN A 22 -7.901 -14.418 2.192 1.00 0.00 H new ATOM 0 HD22 ASN A 22 -9.518 -13.706 2.208 1.00 0.00 H new ATOM 295 N VAL A 23 -7.044 -11.463 -1.308 1.00 0.00 N ATOM 296 CA VAL A 23 -5.968 -10.523 -1.019 1.00 0.00 C ATOM 297 C VAL A 23 -5.281 -10.062 -2.300 1.00 0.00 C ATOM 298 O VAL A 23 -4.662 -10.857 -3.005 1.00 0.00 O ATOM 299 CB VAL A 23 -4.916 -11.145 -0.081 1.00 0.00 C ATOM 300 CG1 VAL A 23 -4.402 -12.458 -0.652 1.00 0.00 C ATOM 301 CG2 VAL A 23 -3.771 -10.172 0.155 1.00 0.00 C ATOM 0 H VAL A 23 -6.729 -12.379 -1.627 1.00 0.00 H new ATOM 0 HA VAL A 23 -6.423 -9.664 -0.525 1.00 0.00 H new ATOM 0 HB VAL A 23 -5.388 -11.354 0.879 1.00 0.00 H new ATOM 0 HG11 VAL A 23 -3.660 -12.883 0.024 1.00 0.00 H new ATOM 0 HG12 VAL A 23 -5.232 -13.156 -0.764 1.00 0.00 H new ATOM 0 HG13 VAL A 23 -3.945 -12.278 -1.625 1.00 0.00 H new ATOM 0 HG21 VAL A 23 -3.037 -10.628 0.820 1.00 0.00 H new ATOM 0 HG22 VAL A 23 -3.298 -9.930 -0.796 1.00 0.00 H new ATOM 0 HG23 VAL A 23 -4.157 -9.260 0.611 1.00 0.00 H new ATOM 311 N GLY A 24 -5.396 -8.770 -2.594 1.00 0.00 N ATOM 312 CA GLY A 24 -4.781 -8.225 -3.790 1.00 0.00 C ATOM 313 C GLY A 24 -3.299 -7.962 -3.612 1.00 0.00 C ATOM 314 O GLY A 24 -2.813 -7.835 -2.487 1.00 0.00 O ATOM 0 H GLY A 24 -5.904 -8.092 -2.026 1.00 0.00 H new ATOM 0 HA2 GLY A 24 -4.927 -8.919 -4.618 1.00 0.00 H new ATOM 0 HA3 GLY A 24 -5.282 -7.296 -4.061 1.00 0.00 H new ATOM 318 N THR A 25 -2.575 -7.881 -4.724 1.00 0.00 N ATOM 319 CA THR A 25 -1.139 -7.635 -4.686 1.00 0.00 C ATOM 320 C THR A 25 -0.764 -6.434 -5.547 1.00 0.00 C ATOM 321 O THR A 25 -0.752 -6.517 -6.774 1.00 0.00 O ATOM 322 CB THR A 25 -0.346 -8.865 -5.167 1.00 0.00 C ATOM 323 OG1 THR A 25 -0.848 -10.048 -4.537 1.00 0.00 O ATOM 324 CG2 THR A 25 1.135 -8.708 -4.856 1.00 0.00 C ATOM 0 H THR A 25 -2.960 -7.982 -5.663 1.00 0.00 H new ATOM 0 HA THR A 25 -0.881 -7.429 -3.647 1.00 0.00 H new ATOM 0 HB THR A 25 -0.468 -8.950 -6.247 1.00 0.00 H new ATOM 0 HG1 THR A 25 -0.667 -10.008 -3.575 1.00 0.00 H new ATOM 0 HG21 THR A 25 1.675 -9.588 -5.204 1.00 0.00 H new ATOM 0 HG22 THR A 25 1.521 -7.822 -5.360 1.00 0.00 H new ATOM 0 HG23 THR A 25 1.271 -8.601 -3.780 1.00 0.00 H new ATOM 332 N GLY A 26 -0.458 -5.317 -4.895 1.00 0.00 N ATOM 333 CA GLY A 26 -0.086 -4.114 -5.617 1.00 0.00 C ATOM 334 C GLY A 26 1.392 -3.801 -5.499 1.00 0.00 C ATOM 335 O GLY A 26 1.866 -3.396 -4.436 1.00 0.00 O ATOM 0 H GLY A 26 -0.461 -5.223 -3.879 1.00 0.00 H new ATOM 0 HA2 GLY A 26 -0.347 -4.230 -6.669 1.00 0.00 H new ATOM 0 HA3 GLY A 26 -0.664 -3.272 -5.236 1.00 0.00 H new ATOM 339 N LEU A 27 2.124 -3.989 -6.591 1.00 0.00 N ATOM 340 CA LEU A 27 3.559 -3.725 -6.605 1.00 0.00 C ATOM 341 C LEU A 27 3.882 -2.519 -7.482 1.00 0.00 C ATOM 342 O LEU A 27 3.509 -2.473 -8.654 1.00 0.00 O ATOM 343 CB LEU A 27 4.318 -4.954 -7.109 1.00 0.00 C ATOM 344 CG LEU A 27 5.837 -4.808 -7.213 1.00 0.00 C ATOM 345 CD1 LEU A 27 6.396 -4.143 -5.965 1.00 0.00 C ATOM 346 CD2 LEU A 27 6.489 -6.165 -7.433 1.00 0.00 C ATOM 0 H LEU A 27 1.748 -4.323 -7.478 1.00 0.00 H new ATOM 0 HA LEU A 27 3.873 -3.504 -5.585 1.00 0.00 H new ATOM 0 HB2 LEU A 27 4.098 -5.790 -6.445 1.00 0.00 H new ATOM 0 HB3 LEU A 27 3.930 -5.218 -8.093 1.00 0.00 H new ATOM 0 HG LEU A 27 6.064 -4.174 -8.070 1.00 0.00 H new ATOM 0 HD11 LEU A 27 7.478 -4.048 -6.057 1.00 0.00 H new ATOM 0 HD12 LEU A 27 5.953 -3.154 -5.850 1.00 0.00 H new ATOM 0 HD13 LEU A 27 6.158 -4.750 -5.092 1.00 0.00 H new ATOM 0 HD21 LEU A 27 7.570 -6.042 -7.505 1.00 0.00 H new ATOM 0 HD22 LEU A 27 6.253 -6.822 -6.596 1.00 0.00 H new ATOM 0 HD23 LEU A 27 6.112 -6.604 -8.356 1.00 0.00 H new ATOM 358 N VAL A 28 4.580 -1.546 -6.905 1.00 0.00 N ATOM 359 CA VAL A 28 4.957 -0.340 -7.634 1.00 0.00 C ATOM 360 C VAL A 28 6.317 0.175 -7.178 1.00 0.00 C ATOM 361 O VAL A 28 6.478 0.608 -6.038 1.00 0.00 O ATOM 362 CB VAL A 28 3.910 0.775 -7.454 1.00 0.00 C ATOM 363 CG1 VAL A 28 2.632 0.435 -8.204 1.00 0.00 C ATOM 364 CG2 VAL A 28 3.626 1.004 -5.977 1.00 0.00 C ATOM 0 H VAL A 28 4.896 -1.569 -5.935 1.00 0.00 H new ATOM 0 HA VAL A 28 5.010 -0.611 -8.689 1.00 0.00 H new ATOM 0 HB VAL A 28 4.312 1.698 -7.872 1.00 0.00 H new ATOM 0 HG11 VAL A 28 1.905 1.235 -8.065 1.00 0.00 H new ATOM 0 HG12 VAL A 28 2.852 0.325 -9.266 1.00 0.00 H new ATOM 0 HG13 VAL A 28 2.222 -0.499 -7.820 1.00 0.00 H new ATOM 0 HG21 VAL A 28 2.884 1.795 -5.868 1.00 0.00 H new ATOM 0 HG22 VAL A 28 3.244 0.085 -5.533 1.00 0.00 H new ATOM 0 HG23 VAL A 28 4.546 1.297 -5.471 1.00 0.00 H new ATOM 374 N GLY A 29 7.295 0.126 -8.078 1.00 0.00 N ATOM 375 CA GLY A 29 8.629 0.592 -7.749 1.00 0.00 C ATOM 376 C GLY A 29 9.023 1.826 -8.536 1.00 0.00 C ATOM 377 O GLY A 29 8.283 2.275 -9.411 1.00 0.00 O ATOM 0 H GLY A 29 7.187 -0.228 -9.028 1.00 0.00 H new ATOM 0 HA2 GLY A 29 8.681 0.813 -6.683 1.00 0.00 H new ATOM 0 HA3 GLY A 29 9.347 -0.204 -7.944 1.00 0.00 H new ATOM 381 N ALA A 30 10.190 2.378 -8.223 1.00 0.00 N ATOM 382 CA ALA A 30 10.681 3.568 -8.907 1.00 0.00 C ATOM 383 C ALA A 30 11.782 3.216 -9.901 1.00 0.00 C ATOM 384 O ALA A 30 12.707 2.461 -9.598 1.00 0.00 O ATOM 385 CB ALA A 30 11.185 4.588 -7.896 1.00 0.00 C ATOM 0 H ALA A 30 10.814 2.020 -7.500 1.00 0.00 H new ATOM 0 HA ALA A 30 9.852 4.004 -9.464 1.00 0.00 H new ATOM 0 HB1 ALA A 30 11.549 5.471 -8.421 1.00 0.00 H new ATOM 0 HB2 ALA A 30 10.371 4.872 -7.229 1.00 0.00 H new ATOM 0 HB3 ALA A 30 11.997 4.152 -7.313 1.00 0.00 H new ATOM 391 N PRO A 31 11.684 3.773 -11.117 1.00 0.00 N ATOM 392 CA PRO A 31 12.663 3.531 -12.180 1.00 0.00 C ATOM 393 C PRO A 31 14.011 4.179 -11.884 1.00 0.00 C ATOM 394 O PRO A 31 15.056 3.536 -11.986 1.00 0.00 O ATOM 395 CB PRO A 31 12.018 4.175 -13.410 1.00 0.00 C ATOM 396 CG PRO A 31 11.111 5.220 -12.858 1.00 0.00 C ATOM 397 CD PRO A 31 10.608 4.682 -11.547 1.00 0.00 C ATOM 0 HA PRO A 31 12.879 2.470 -12.302 1.00 0.00 H new ATOM 0 HB2 PRO A 31 12.769 4.611 -14.069 1.00 0.00 H new ATOM 0 HB3 PRO A 31 11.466 3.441 -13.997 1.00 0.00 H new ATOM 0 HG2 PRO A 31 11.642 6.161 -12.716 1.00 0.00 H new ATOM 0 HG3 PRO A 31 10.285 5.420 -13.540 1.00 0.00 H new ATOM 0 HD2 PRO A 31 10.442 5.479 -10.823 1.00 0.00 H new ATOM 0 HD3 PRO A 31 9.661 4.156 -11.665 1.00 0.00 H new ATOM 405 N ALA A 32 13.981 5.457 -11.518 1.00 0.00 N ATOM 406 CA ALA A 32 15.200 6.191 -11.206 1.00 0.00 C ATOM 407 C ALA A 32 15.798 5.725 -9.883 1.00 0.00 C ATOM 408 O ALA A 32 16.868 5.116 -9.853 1.00 0.00 O ATOM 409 CB ALA A 32 14.920 7.686 -11.163 1.00 0.00 C ATOM 0 H ALA A 32 13.125 6.005 -11.431 1.00 0.00 H new ATOM 0 HA ALA A 32 15.926 5.991 -11.994 1.00 0.00 H new ATOM 0 HB1 ALA A 32 15.840 8.222 -10.929 1.00 0.00 H new ATOM 0 HB2 ALA A 32 14.546 8.014 -12.133 1.00 0.00 H new ATOM 0 HB3 ALA A 32 14.174 7.894 -10.397 1.00 0.00 H new ATOM 415 N CYS A 33 15.102 6.015 -8.789 1.00 0.00 N ATOM 416 CA CYS A 33 15.564 5.627 -7.462 1.00 0.00 C ATOM 417 C CYS A 33 15.808 4.122 -7.390 1.00 0.00 C ATOM 418 O CYS A 33 16.734 3.665 -6.721 1.00 0.00 O ATOM 419 CB CYS A 33 14.541 6.040 -6.402 1.00 0.00 C ATOM 420 SG CYS A 33 15.215 6.126 -4.712 1.00 0.00 S ATOM 0 H CYS A 33 14.215 6.518 -8.796 1.00 0.00 H new ATOM 0 HA CYS A 33 16.506 6.140 -7.268 1.00 0.00 H new ATOM 0 HB2 CYS A 33 14.131 7.014 -6.668 1.00 0.00 H new ATOM 0 HB3 CYS A 33 13.713 5.331 -6.416 1.00 0.00 H new ATOM 0 HG CYS A 33 15.004 4.997 -4.103 1.00 0.00 H new ATOM 425 N GLY A 34 14.971 3.358 -8.084 1.00 0.00 N ATOM 426 CA GLY A 34 15.112 1.914 -8.086 1.00 0.00 C ATOM 427 C GLY A 34 14.598 1.279 -6.809 1.00 0.00 C ATOM 428 O GLY A 34 15.344 0.608 -6.096 1.00 0.00 O ATOM 0 H GLY A 34 14.197 3.713 -8.645 1.00 0.00 H new ATOM 0 HA2 GLY A 34 14.571 1.500 -8.937 1.00 0.00 H new ATOM 0 HA3 GLY A 34 16.162 1.655 -8.220 1.00 0.00 H new ATOM 432 N ASP A 35 13.319 1.492 -6.519 1.00 0.00 N ATOM 433 CA ASP A 35 12.705 0.936 -5.318 1.00 0.00 C ATOM 434 C ASP A 35 11.670 -0.126 -5.679 1.00 0.00 C ATOM 435 O ASP A 35 11.214 -0.200 -6.820 1.00 0.00 O ATOM 436 CB ASP A 35 12.049 2.046 -4.494 1.00 0.00 C ATOM 437 CG ASP A 35 12.857 3.329 -4.505 1.00 0.00 C ATOM 438 OD1 ASP A 35 14.078 3.260 -4.761 1.00 0.00 O ATOM 439 OD2 ASP A 35 12.268 4.402 -4.258 1.00 0.00 O ATOM 0 H ASP A 35 12.688 2.045 -7.098 1.00 0.00 H new ATOM 0 HA ASP A 35 13.488 0.467 -4.723 1.00 0.00 H new ATOM 0 HB2 ASP A 35 11.052 2.245 -4.886 1.00 0.00 H new ATOM 0 HB3 ASP A 35 11.925 1.707 -3.466 1.00 0.00 H new ATOM 444 N VAL A 36 11.306 -0.946 -4.699 1.00 0.00 N ATOM 445 CA VAL A 36 10.326 -2.004 -4.913 1.00 0.00 C ATOM 446 C VAL A 36 9.310 -2.050 -3.776 1.00 0.00 C ATOM 447 O VAL A 36 9.559 -2.653 -2.733 1.00 0.00 O ATOM 448 CB VAL A 36 11.004 -3.381 -5.036 1.00 0.00 C ATOM 449 CG1 VAL A 36 9.978 -4.454 -5.369 1.00 0.00 C ATOM 450 CG2 VAL A 36 12.104 -3.341 -6.086 1.00 0.00 C ATOM 0 H VAL A 36 11.675 -0.898 -3.749 1.00 0.00 H new ATOM 0 HA VAL A 36 9.813 -1.775 -5.847 1.00 0.00 H new ATOM 0 HB VAL A 36 11.457 -3.630 -4.076 1.00 0.00 H new ATOM 0 HG11 VAL A 36 10.476 -5.420 -5.452 1.00 0.00 H new ATOM 0 HG12 VAL A 36 9.229 -4.499 -4.579 1.00 0.00 H new ATOM 0 HG13 VAL A 36 9.494 -4.213 -6.315 1.00 0.00 H new ATOM 0 HG21 VAL A 36 12.572 -4.322 -6.160 1.00 0.00 H new ATOM 0 HG22 VAL A 36 11.676 -3.070 -7.051 1.00 0.00 H new ATOM 0 HG23 VAL A 36 12.853 -2.602 -5.801 1.00 0.00 H new ATOM 460 N MET A 37 8.165 -1.409 -3.987 1.00 0.00 N ATOM 461 CA MET A 37 7.110 -1.379 -2.981 1.00 0.00 C ATOM 462 C MET A 37 6.031 -2.410 -3.293 1.00 0.00 C ATOM 463 O MET A 37 5.285 -2.270 -4.262 1.00 0.00 O ATOM 464 CB MET A 37 6.490 0.018 -2.903 1.00 0.00 C ATOM 465 CG MET A 37 5.726 0.272 -1.614 1.00 0.00 C ATOM 466 SD MET A 37 4.813 1.827 -1.644 1.00 0.00 S ATOM 467 CE MET A 37 3.469 1.452 -0.521 1.00 0.00 C ATOM 0 H MET A 37 7.944 -0.904 -4.845 1.00 0.00 H new ATOM 0 HA MET A 37 7.555 -1.626 -2.017 1.00 0.00 H new ATOM 0 HB2 MET A 37 7.280 0.763 -3.001 1.00 0.00 H new ATOM 0 HB3 MET A 37 5.816 0.155 -3.748 1.00 0.00 H new ATOM 0 HG2 MET A 37 5.031 -0.550 -1.440 1.00 0.00 H new ATOM 0 HG3 MET A 37 6.425 0.281 -0.778 1.00 0.00 H new ATOM 0 HE1 MET A 37 3.218 2.342 0.056 1.00 0.00 H new ATOM 0 HE2 MET A 37 2.597 1.131 -1.091 1.00 0.00 H new ATOM 0 HE3 MET A 37 3.773 0.654 0.157 1.00 0.00 H new ATOM 477 N LYS A 38 5.953 -3.447 -2.466 1.00 0.00 N ATOM 478 CA LYS A 38 4.964 -4.503 -2.652 1.00 0.00 C ATOM 479 C LYS A 38 3.912 -4.464 -1.548 1.00 0.00 C ATOM 480 O LYS A 38 4.179 -4.846 -0.408 1.00 0.00 O ATOM 481 CB LYS A 38 5.647 -5.872 -2.672 1.00 0.00 C ATOM 482 CG LYS A 38 4.864 -6.932 -3.426 1.00 0.00 C ATOM 483 CD LYS A 38 5.684 -8.196 -3.626 1.00 0.00 C ATOM 484 CE LYS A 38 5.237 -8.960 -4.862 1.00 0.00 C ATOM 485 NZ LYS A 38 6.294 -9.888 -5.352 1.00 0.00 N ATOM 0 H LYS A 38 6.563 -3.579 -1.660 1.00 0.00 H new ATOM 0 HA LYS A 38 4.468 -4.337 -3.608 1.00 0.00 H new ATOM 0 HB2 LYS A 38 6.633 -5.770 -3.125 1.00 0.00 H new ATOM 0 HB3 LYS A 38 5.801 -6.207 -1.646 1.00 0.00 H new ATOM 0 HG2 LYS A 38 3.953 -7.171 -2.877 1.00 0.00 H new ATOM 0 HG3 LYS A 38 4.558 -6.539 -4.395 1.00 0.00 H new ATOM 0 HD2 LYS A 38 6.738 -7.936 -3.719 1.00 0.00 H new ATOM 0 HD3 LYS A 38 5.590 -8.835 -2.748 1.00 0.00 H new ATOM 0 HE2 LYS A 38 4.334 -9.526 -4.632 1.00 0.00 H new ATOM 0 HE3 LYS A 38 4.978 -8.254 -5.652 1.00 0.00 H new ATOM 0 HZ1 LYS A 38 5.951 -10.390 -6.196 1.00 0.00 H new ATOM 0 HZ2 LYS A 38 7.147 -9.345 -5.595 1.00 0.00 H new ATOM 0 HZ3 LYS A 38 6.523 -10.577 -4.608 1.00 0.00 H new ATOM 499 N LEU A 39 2.716 -4.001 -1.894 1.00 0.00 N ATOM 500 CA LEU A 39 1.622 -3.914 -0.932 1.00 0.00 C ATOM 501 C LEU A 39 0.649 -5.076 -1.107 1.00 0.00 C ATOM 502 O LEU A 39 0.438 -5.558 -2.220 1.00 0.00 O ATOM 503 CB LEU A 39 0.881 -2.585 -1.092 1.00 0.00 C ATOM 504 CG LEU A 39 0.242 -2.017 0.175 1.00 0.00 C ATOM 505 CD1 LEU A 39 1.306 -1.453 1.104 1.00 0.00 C ATOM 506 CD2 LEU A 39 -0.782 -0.948 -0.177 1.00 0.00 C ATOM 0 H LEU A 39 2.479 -3.680 -2.833 1.00 0.00 H new ATOM 0 HA LEU A 39 2.047 -3.968 0.070 1.00 0.00 H new ATOM 0 HB2 LEU A 39 1.580 -1.847 -1.485 1.00 0.00 H new ATOM 0 HB3 LEU A 39 0.101 -2.715 -1.842 1.00 0.00 H new ATOM 0 HG LEU A 39 -0.271 -2.827 0.694 1.00 0.00 H new ATOM 0 HD11 LEU A 39 0.832 -1.053 2.000 1.00 0.00 H new ATOM 0 HD12 LEU A 39 2.001 -2.244 1.384 1.00 0.00 H new ATOM 0 HD13 LEU A 39 1.849 -0.657 0.595 1.00 0.00 H new ATOM 0 HD21 LEU A 39 -1.227 -0.555 0.737 1.00 0.00 H new ATOM 0 HD22 LEU A 39 -0.292 -0.139 -0.719 1.00 0.00 H new ATOM 0 HD23 LEU A 39 -1.562 -1.383 -0.802 1.00 0.00 H new ATOM 518 N GLN A 40 0.059 -5.518 -0.001 1.00 0.00 N ATOM 519 CA GLN A 40 -0.893 -6.622 -0.034 1.00 0.00 C ATOM 520 C GLN A 40 -1.966 -6.447 1.035 1.00 0.00 C ATOM 521 O GLN A 40 -1.661 -6.354 2.225 1.00 0.00 O ATOM 522 CB GLN A 40 -0.168 -7.954 0.168 1.00 0.00 C ATOM 523 CG GLN A 40 0.254 -8.620 -1.132 1.00 0.00 C ATOM 524 CD GLN A 40 0.183 -10.133 -1.062 1.00 0.00 C ATOM 525 OE1 GLN A 40 -0.690 -10.753 -1.671 1.00 0.00 O ATOM 526 NE2 GLN A 40 1.103 -10.736 -0.319 1.00 0.00 N ATOM 0 H GLN A 40 0.223 -5.129 0.928 1.00 0.00 H new ATOM 0 HA GLN A 40 -1.376 -6.623 -1.011 1.00 0.00 H new ATOM 0 HB2 GLN A 40 0.715 -7.788 0.785 1.00 0.00 H new ATOM 0 HB3 GLN A 40 -0.819 -8.632 0.720 1.00 0.00 H new ATOM 0 HG2 GLN A 40 -0.386 -8.267 -1.941 1.00 0.00 H new ATOM 0 HG3 GLN A 40 1.273 -8.319 -1.376 1.00 0.00 H new ATOM 0 HE21 GLN A 40 1.808 -10.183 0.168 1.00 0.00 H new ATOM 0 HE22 GLN A 40 1.105 -11.753 -0.236 1.00 0.00 H new ATOM 535 N ILE A 41 -3.222 -6.402 0.604 1.00 0.00 N ATOM 536 CA ILE A 41 -4.340 -6.239 1.525 1.00 0.00 C ATOM 537 C ILE A 41 -5.341 -7.380 1.382 1.00 0.00 C ATOM 538 O ILE A 41 -5.787 -7.693 0.278 1.00 0.00 O ATOM 539 CB ILE A 41 -5.068 -4.901 1.295 1.00 0.00 C ATOM 540 CG1 ILE A 41 -5.655 -4.851 -0.117 1.00 0.00 C ATOM 541 CG2 ILE A 41 -4.117 -3.735 1.520 1.00 0.00 C ATOM 542 CD1 ILE A 41 -7.091 -5.319 -0.191 1.00 0.00 C ATOM 0 H ILE A 41 -3.491 -6.476 -0.377 1.00 0.00 H new ATOM 0 HA ILE A 41 -3.923 -6.249 2.532 1.00 0.00 H new ATOM 0 HB ILE A 41 -5.886 -4.821 2.011 1.00 0.00 H new ATOM 0 HG12 ILE A 41 -5.595 -3.829 -0.491 1.00 0.00 H new ATOM 0 HG13 ILE A 41 -5.046 -5.468 -0.777 1.00 0.00 H new ATOM 0 HG21 ILE A 41 -4.646 -2.797 1.354 1.00 0.00 H new ATOM 0 HG22 ILE A 41 -3.742 -3.764 2.543 1.00 0.00 H new ATOM 0 HG23 ILE A 41 -3.281 -3.808 0.825 1.00 0.00 H new ATOM 0 HD11 ILE A 41 -7.441 -5.256 -1.221 1.00 0.00 H new ATOM 0 HD12 ILE A 41 -7.155 -6.352 0.152 1.00 0.00 H new ATOM 0 HD13 ILE A 41 -7.713 -4.687 0.443 1.00 0.00 H new ATOM 554 N GLN A 42 -5.691 -7.997 2.506 1.00 0.00 N ATOM 555 CA GLN A 42 -6.641 -9.103 2.506 1.00 0.00 C ATOM 556 C GLN A 42 -8.070 -8.594 2.662 1.00 0.00 C ATOM 557 O GLN A 42 -8.443 -8.076 3.715 1.00 0.00 O ATOM 558 CB GLN A 42 -6.311 -10.086 3.631 1.00 0.00 C ATOM 559 CG GLN A 42 -6.822 -11.495 3.377 1.00 0.00 C ATOM 560 CD GLN A 42 -6.741 -12.376 4.608 1.00 0.00 C ATOM 561 OE1 GLN A 42 -7.641 -12.372 5.448 1.00 0.00 O ATOM 562 NE2 GLN A 42 -5.659 -13.138 4.720 1.00 0.00 N ATOM 0 H GLN A 42 -5.331 -7.750 3.428 1.00 0.00 H new ATOM 0 HA GLN A 42 -6.561 -9.617 1.548 1.00 0.00 H new ATOM 0 HB2 GLN A 42 -5.230 -10.120 3.767 1.00 0.00 H new ATOM 0 HB3 GLN A 42 -6.739 -9.716 4.563 1.00 0.00 H new ATOM 0 HG2 GLN A 42 -7.857 -11.446 3.037 1.00 0.00 H new ATOM 0 HG3 GLN A 42 -6.243 -11.948 2.572 1.00 0.00 H new ATOM 0 HE21 GLN A 42 -4.938 -13.109 3.999 1.00 0.00 H new ATOM 0 HE22 GLN A 42 -5.549 -13.752 5.527 1.00 0.00 H new ATOM 571 N VAL A 43 -8.865 -8.744 1.608 1.00 0.00 N ATOM 572 CA VAL A 43 -10.254 -8.300 1.628 1.00 0.00 C ATOM 573 C VAL A 43 -11.183 -9.423 2.074 1.00 0.00 C ATOM 574 O VAL A 43 -11.080 -10.554 1.598 1.00 0.00 O ATOM 575 CB VAL A 43 -10.702 -7.797 0.243 1.00 0.00 C ATOM 576 CG1 VAL A 43 -12.165 -7.381 0.274 1.00 0.00 C ATOM 577 CG2 VAL A 43 -9.821 -6.645 -0.215 1.00 0.00 C ATOM 0 H VAL A 43 -8.571 -9.170 0.729 1.00 0.00 H new ATOM 0 HA VAL A 43 -10.314 -7.478 2.341 1.00 0.00 H new ATOM 0 HB VAL A 43 -10.596 -8.612 -0.473 1.00 0.00 H new ATOM 0 HG11 VAL A 43 -12.464 -7.028 -0.713 1.00 0.00 H new ATOM 0 HG12 VAL A 43 -12.780 -8.235 0.556 1.00 0.00 H new ATOM 0 HG13 VAL A 43 -12.300 -6.581 1.002 1.00 0.00 H new ATOM 0 HG21 VAL A 43 -10.151 -6.302 -1.195 1.00 0.00 H new ATOM 0 HG22 VAL A 43 -9.893 -5.825 0.500 1.00 0.00 H new ATOM 0 HG23 VAL A 43 -8.786 -6.981 -0.278 1.00 0.00 H new ATOM 587 N ASP A 44 -12.091 -9.104 2.990 1.00 0.00 N ATOM 588 CA ASP A 44 -13.041 -10.085 3.500 1.00 0.00 C ATOM 589 C ASP A 44 -14.297 -10.127 2.635 1.00 0.00 C ATOM 590 O ASP A 44 -14.370 -9.465 1.600 1.00 0.00 O ATOM 591 CB ASP A 44 -13.414 -9.761 4.947 1.00 0.00 C ATOM 592 CG ASP A 44 -13.770 -11.001 5.745 1.00 0.00 C ATOM 593 OD1 ASP A 44 -12.843 -11.736 6.143 1.00 0.00 O ATOM 594 OD2 ASP A 44 -14.975 -11.234 5.971 1.00 0.00 O ATOM 0 H ASP A 44 -12.189 -8.173 3.395 1.00 0.00 H new ATOM 0 HA ASP A 44 -12.566 -11.065 3.466 1.00 0.00 H new ATOM 0 HB2 ASP A 44 -12.580 -9.250 5.428 1.00 0.00 H new ATOM 0 HB3 ASP A 44 -14.258 -9.072 4.956 1.00 0.00 H new ATOM 599 N GLU A 45 -15.281 -10.909 3.066 1.00 0.00 N ATOM 600 CA GLU A 45 -16.533 -11.038 2.329 1.00 0.00 C ATOM 601 C GLU A 45 -17.250 -9.694 2.236 1.00 0.00 C ATOM 602 O GLU A 45 -17.844 -9.363 1.209 1.00 0.00 O ATOM 603 CB GLU A 45 -17.443 -12.068 3.000 1.00 0.00 C ATOM 604 CG GLU A 45 -17.922 -11.649 4.380 1.00 0.00 C ATOM 605 CD GLU A 45 -18.808 -12.693 5.031 1.00 0.00 C ATOM 606 OE1 GLU A 45 -18.315 -13.811 5.291 1.00 0.00 O ATOM 607 OE2 GLU A 45 -19.994 -12.393 5.281 1.00 0.00 O ATOM 0 H GLU A 45 -15.236 -11.463 3.921 1.00 0.00 H new ATOM 0 HA GLU A 45 -16.297 -11.376 1.320 1.00 0.00 H new ATOM 0 HB2 GLU A 45 -18.309 -12.245 2.362 1.00 0.00 H new ATOM 0 HB3 GLU A 45 -16.908 -13.014 3.082 1.00 0.00 H new ATOM 0 HG2 GLU A 45 -17.059 -11.461 5.019 1.00 0.00 H new ATOM 0 HG3 GLU A 45 -18.471 -10.710 4.301 1.00 0.00 H new ATOM 614 N LYS A 46 -17.190 -8.922 3.316 1.00 0.00 N ATOM 615 CA LYS A 46 -17.832 -7.614 3.359 1.00 0.00 C ATOM 616 C LYS A 46 -17.122 -6.629 2.436 1.00 0.00 C ATOM 617 O LYS A 46 -17.713 -5.649 1.984 1.00 0.00 O ATOM 618 CB LYS A 46 -17.840 -7.073 4.790 1.00 0.00 C ATOM 619 CG LYS A 46 -18.593 -7.956 5.770 1.00 0.00 C ATOM 620 CD LYS A 46 -19.212 -7.141 6.893 1.00 0.00 C ATOM 621 CE LYS A 46 -20.419 -7.845 7.493 1.00 0.00 C ATOM 622 NZ LYS A 46 -21.325 -6.892 8.194 1.00 0.00 N ATOM 0 H LYS A 46 -16.703 -9.180 4.174 1.00 0.00 H new ATOM 0 HA LYS A 46 -18.860 -7.731 3.016 1.00 0.00 H new ATOM 0 HB2 LYS A 46 -16.811 -6.960 5.132 1.00 0.00 H new ATOM 0 HB3 LYS A 46 -18.288 -6.079 4.791 1.00 0.00 H new ATOM 0 HG2 LYS A 46 -19.375 -8.502 5.242 1.00 0.00 H new ATOM 0 HG3 LYS A 46 -17.913 -8.698 6.189 1.00 0.00 H new ATOM 0 HD2 LYS A 46 -18.468 -6.966 7.670 1.00 0.00 H new ATOM 0 HD3 LYS A 46 -19.511 -6.164 6.513 1.00 0.00 H new ATOM 0 HE2 LYS A 46 -20.970 -8.357 6.704 1.00 0.00 H new ATOM 0 HE3 LYS A 46 -20.083 -8.609 8.194 1.00 0.00 H new ATOM 0 HZ1 LYS A 46 -22.135 -7.410 8.589 1.00 0.00 H new ATOM 0 HZ2 LYS A 46 -20.806 -6.422 8.963 1.00 0.00 H new ATOM 0 HZ3 LYS A 46 -21.666 -6.178 7.520 1.00 0.00 H new ATOM 636 N GLY A 47 -15.849 -6.897 2.158 1.00 0.00 N ATOM 637 CA GLY A 47 -15.080 -6.025 1.289 1.00 0.00 C ATOM 638 C GLY A 47 -14.242 -5.028 2.063 1.00 0.00 C ATOM 639 O GLY A 47 -13.821 -4.006 1.521 1.00 0.00 O ATOM 0 H GLY A 47 -15.337 -7.702 2.519 1.00 0.00 H new ATOM 0 HA2 GLY A 47 -14.429 -6.629 0.657 1.00 0.00 H new ATOM 0 HA3 GLY A 47 -15.758 -5.488 0.626 1.00 0.00 H new ATOM 643 N LYS A 48 -14.000 -5.322 3.336 1.00 0.00 N ATOM 644 CA LYS A 48 -13.207 -4.443 4.188 1.00 0.00 C ATOM 645 C LYS A 48 -11.812 -5.017 4.412 1.00 0.00 C ATOM 646 O LYS A 48 -11.652 -6.219 4.624 1.00 0.00 O ATOM 647 CB LYS A 48 -13.907 -4.236 5.533 1.00 0.00 C ATOM 648 CG LYS A 48 -13.211 -3.228 6.431 1.00 0.00 C ATOM 649 CD LYS A 48 -12.189 -3.898 7.334 1.00 0.00 C ATOM 650 CE LYS A 48 -12.834 -4.442 8.599 1.00 0.00 C ATOM 651 NZ LYS A 48 -13.496 -5.755 8.363 1.00 0.00 N ATOM 0 H LYS A 48 -14.342 -6.163 3.801 1.00 0.00 H new ATOM 0 HA LYS A 48 -13.109 -3.481 3.685 1.00 0.00 H new ATOM 0 HB2 LYS A 48 -14.930 -3.905 5.354 1.00 0.00 H new ATOM 0 HB3 LYS A 48 -13.968 -5.192 6.053 1.00 0.00 H new ATOM 0 HG2 LYS A 48 -12.717 -2.474 5.818 1.00 0.00 H new ATOM 0 HG3 LYS A 48 -13.952 -2.710 7.040 1.00 0.00 H new ATOM 0 HD2 LYS A 48 -11.702 -4.710 6.794 1.00 0.00 H new ATOM 0 HD3 LYS A 48 -11.412 -3.181 7.600 1.00 0.00 H new ATOM 0 HE2 LYS A 48 -12.076 -4.551 9.375 1.00 0.00 H new ATOM 0 HE3 LYS A 48 -13.568 -3.726 8.969 1.00 0.00 H new ATOM 0 HZ1 LYS A 48 -13.366 -6.364 9.196 1.00 0.00 H new ATOM 0 HZ2 LYS A 48 -14.512 -5.607 8.197 1.00 0.00 H new ATOM 0 HZ3 LYS A 48 -13.073 -6.213 7.531 1.00 0.00 H new ATOM 665 N ILE A 49 -10.806 -4.150 4.364 1.00 0.00 N ATOM 666 CA ILE A 49 -9.425 -4.571 4.565 1.00 0.00 C ATOM 667 C ILE A 49 -9.186 -5.004 6.007 1.00 0.00 C ATOM 668 O ILE A 49 -9.121 -4.174 6.914 1.00 0.00 O ATOM 669 CB ILE A 49 -8.436 -3.445 4.209 1.00 0.00 C ATOM 670 CG1 ILE A 49 -8.531 -3.105 2.720 1.00 0.00 C ATOM 671 CG2 ILE A 49 -7.017 -3.852 4.575 1.00 0.00 C ATOM 672 CD1 ILE A 49 -8.217 -1.659 2.409 1.00 0.00 C ATOM 0 H ILE A 49 -10.921 -3.152 4.188 1.00 0.00 H new ATOM 0 HA ILE A 49 -9.254 -5.418 3.901 1.00 0.00 H new ATOM 0 HB ILE A 49 -8.698 -2.556 4.783 1.00 0.00 H new ATOM 0 HG12 ILE A 49 -7.845 -3.745 2.165 1.00 0.00 H new ATOM 0 HG13 ILE A 49 -9.536 -3.334 2.367 1.00 0.00 H new ATOM 0 HG21 ILE A 49 -6.330 -3.046 4.318 1.00 0.00 H new ATOM 0 HG22 ILE A 49 -6.960 -4.050 5.645 1.00 0.00 H new ATOM 0 HG23 ILE A 49 -6.743 -4.752 4.025 1.00 0.00 H new ATOM 0 HD11 ILE A 49 -8.304 -1.490 1.336 1.00 0.00 H new ATOM 0 HD12 ILE A 49 -8.919 -1.013 2.936 1.00 0.00 H new ATOM 0 HD13 ILE A 49 -7.201 -1.430 2.731 1.00 0.00 H new ATOM 684 N VAL A 50 -9.055 -6.311 6.213 1.00 0.00 N ATOM 685 CA VAL A 50 -8.820 -6.856 7.545 1.00 0.00 C ATOM 686 C VAL A 50 -7.328 -6.954 7.843 1.00 0.00 C ATOM 687 O VAL A 50 -6.899 -6.775 8.983 1.00 0.00 O ATOM 688 CB VAL A 50 -9.456 -8.249 7.701 1.00 0.00 C ATOM 689 CG1 VAL A 50 -10.970 -8.162 7.577 1.00 0.00 C ATOM 690 CG2 VAL A 50 -8.884 -9.215 6.675 1.00 0.00 C ATOM 0 H VAL A 50 -9.108 -7.012 5.474 1.00 0.00 H new ATOM 0 HA VAL A 50 -9.285 -6.171 8.254 1.00 0.00 H new ATOM 0 HB VAL A 50 -9.218 -8.628 8.695 1.00 0.00 H new ATOM 0 HG11 VAL A 50 -11.402 -9.156 7.690 1.00 0.00 H new ATOM 0 HG12 VAL A 50 -11.362 -7.506 8.354 1.00 0.00 H new ATOM 0 HG13 VAL A 50 -11.232 -7.761 6.598 1.00 0.00 H new ATOM 0 HG21 VAL A 50 -9.345 -10.194 6.801 1.00 0.00 H new ATOM 0 HG22 VAL A 50 -9.089 -8.843 5.671 1.00 0.00 H new ATOM 0 HG23 VAL A 50 -7.807 -9.301 6.817 1.00 0.00 H new ATOM 700 N ASP A 51 -6.542 -7.239 6.811 1.00 0.00 N ATOM 701 CA ASP A 51 -5.096 -7.360 6.961 1.00 0.00 C ATOM 702 C ASP A 51 -4.369 -6.550 5.892 1.00 0.00 C ATOM 703 O ASP A 51 -4.795 -6.504 4.738 1.00 0.00 O ATOM 704 CB ASP A 51 -4.675 -8.828 6.882 1.00 0.00 C ATOM 705 CG ASP A 51 -5.031 -9.601 8.136 1.00 0.00 C ATOM 706 OD1 ASP A 51 -6.153 -10.147 8.199 1.00 0.00 O ATOM 707 OD2 ASP A 51 -4.188 -9.661 9.056 1.00 0.00 O ATOM 0 H ASP A 51 -6.881 -7.391 5.861 1.00 0.00 H new ATOM 0 HA ASP A 51 -4.822 -6.964 7.939 1.00 0.00 H new ATOM 0 HB2 ASP A 51 -5.156 -9.295 6.022 1.00 0.00 H new ATOM 0 HB3 ASP A 51 -3.599 -8.886 6.716 1.00 0.00 H new ATOM 712 N ALA A 52 -3.270 -5.914 6.284 1.00 0.00 N ATOM 713 CA ALA A 52 -2.484 -5.107 5.359 1.00 0.00 C ATOM 714 C ALA A 52 -0.990 -5.334 5.567 1.00 0.00 C ATOM 715 O ALA A 52 -0.514 -5.396 6.700 1.00 0.00 O ATOM 716 CB ALA A 52 -2.824 -3.633 5.523 1.00 0.00 C ATOM 0 H ALA A 52 -2.904 -5.942 7.236 1.00 0.00 H new ATOM 0 HA ALA A 52 -2.734 -5.415 4.344 1.00 0.00 H new ATOM 0 HB1 ALA A 52 -2.229 -3.043 4.826 1.00 0.00 H new ATOM 0 HB2 ALA A 52 -3.883 -3.479 5.317 1.00 0.00 H new ATOM 0 HB3 ALA A 52 -2.603 -3.320 6.544 1.00 0.00 H new ATOM 722 N ARG A 53 -0.256 -5.456 4.466 1.00 0.00 N ATOM 723 CA ARG A 53 1.184 -5.678 4.528 1.00 0.00 C ATOM 724 C ARG A 53 1.927 -4.672 3.653 1.00 0.00 C ATOM 725 O ARG A 53 1.374 -4.145 2.688 1.00 0.00 O ATOM 726 CB ARG A 53 1.521 -7.103 4.085 1.00 0.00 C ATOM 727 CG ARG A 53 0.620 -8.161 4.700 1.00 0.00 C ATOM 728 CD ARG A 53 0.890 -8.327 6.187 1.00 0.00 C ATOM 729 NE ARG A 53 -0.302 -8.750 6.916 1.00 0.00 N ATOM 730 CZ ARG A 53 -0.464 -8.579 8.223 1.00 0.00 C ATOM 731 NH1 ARG A 53 0.487 -7.997 8.942 1.00 0.00 N ATOM 732 NH2 ARG A 53 -1.578 -8.991 8.815 1.00 0.00 N ATOM 0 H ARG A 53 -0.635 -5.405 3.520 1.00 0.00 H new ATOM 0 HA ARG A 53 1.504 -5.541 5.561 1.00 0.00 H new ATOM 0 HB2 ARG A 53 1.449 -7.163 2.999 1.00 0.00 H new ATOM 0 HB3 ARG A 53 2.556 -7.321 4.349 1.00 0.00 H new ATOM 0 HG2 ARG A 53 -0.423 -7.885 4.547 1.00 0.00 H new ATOM 0 HG3 ARG A 53 0.776 -9.113 4.192 1.00 0.00 H new ATOM 0 HD2 ARG A 53 1.683 -9.061 6.332 1.00 0.00 H new ATOM 0 HD3 ARG A 53 1.250 -7.384 6.597 1.00 0.00 H new ATOM 0 HE ARG A 53 -1.052 -9.202 6.393 1.00 0.00 H new ATOM 0 HH11 ARG A 53 1.345 -7.680 8.491 1.00 0.00 H new ATOM 0 HH12 ARG A 53 0.360 -7.867 9.946 1.00 0.00 H new ATOM 0 HH21 ARG A 53 -2.311 -9.440 8.266 1.00 0.00 H new ATOM 0 HH22 ARG A 53 -1.701 -8.859 9.819 1.00 0.00 H new ATOM 746 N PHE A 54 3.183 -4.410 3.999 1.00 0.00 N ATOM 747 CA PHE A 54 4.002 -3.467 3.246 1.00 0.00 C ATOM 748 C PHE A 54 5.449 -3.944 3.168 1.00 0.00 C ATOM 749 O PHE A 54 6.069 -4.251 4.186 1.00 0.00 O ATOM 750 CB PHE A 54 3.944 -2.081 3.892 1.00 0.00 C ATOM 751 CG PHE A 54 4.993 -1.866 4.946 1.00 0.00 C ATOM 752 CD1 PHE A 54 6.301 -1.578 4.591 1.00 0.00 C ATOM 753 CD2 PHE A 54 4.671 -1.953 6.291 1.00 0.00 C ATOM 754 CE1 PHE A 54 7.268 -1.381 5.558 1.00 0.00 C ATOM 755 CE2 PHE A 54 5.634 -1.756 7.262 1.00 0.00 C ATOM 756 CZ PHE A 54 6.935 -1.469 6.896 1.00 0.00 C ATOM 0 H PHE A 54 3.656 -4.837 4.796 1.00 0.00 H new ATOM 0 HA PHE A 54 3.604 -3.406 2.233 1.00 0.00 H new ATOM 0 HB2 PHE A 54 4.058 -1.323 3.117 1.00 0.00 H new ATOM 0 HB3 PHE A 54 2.959 -1.937 4.336 1.00 0.00 H new ATOM 0 HD1 PHE A 54 6.568 -1.507 3.547 1.00 0.00 H new ATOM 0 HD2 PHE A 54 3.656 -2.177 6.584 1.00 0.00 H new ATOM 0 HE1 PHE A 54 8.284 -1.158 5.268 1.00 0.00 H new ATOM 0 HE2 PHE A 54 5.370 -1.826 8.307 1.00 0.00 H new ATOM 0 HZ PHE A 54 7.689 -1.314 7.653 1.00 0.00 H new ATOM 766 N LYS A 55 5.981 -4.005 1.952 1.00 0.00 N ATOM 767 CA LYS A 55 7.354 -4.444 1.738 1.00 0.00 C ATOM 768 C LYS A 55 8.062 -3.545 0.729 1.00 0.00 C ATOM 769 O LYS A 55 7.857 -3.669 -0.479 1.00 0.00 O ATOM 770 CB LYS A 55 7.378 -5.894 1.251 1.00 0.00 C ATOM 771 CG LYS A 55 8.714 -6.585 1.463 1.00 0.00 C ATOM 772 CD LYS A 55 9.153 -6.517 2.916 1.00 0.00 C ATOM 773 CE LYS A 55 10.010 -7.714 3.296 1.00 0.00 C ATOM 774 NZ LYS A 55 9.233 -8.984 3.270 1.00 0.00 N ATOM 0 H LYS A 55 5.481 -3.755 1.099 1.00 0.00 H new ATOM 0 HA LYS A 55 7.882 -4.379 2.689 1.00 0.00 H new ATOM 0 HB2 LYS A 55 6.602 -6.456 1.770 1.00 0.00 H new ATOM 0 HB3 LYS A 55 7.131 -5.916 0.189 1.00 0.00 H new ATOM 0 HG2 LYS A 55 8.639 -7.627 1.153 1.00 0.00 H new ATOM 0 HG3 LYS A 55 9.470 -6.119 0.831 1.00 0.00 H new ATOM 0 HD2 LYS A 55 9.714 -5.598 3.085 1.00 0.00 H new ATOM 0 HD3 LYS A 55 8.275 -6.477 3.561 1.00 0.00 H new ATOM 0 HE2 LYS A 55 10.853 -7.790 2.609 1.00 0.00 H new ATOM 0 HE3 LYS A 55 10.424 -7.562 4.293 1.00 0.00 H new ATOM 0 HZ1 LYS A 55 9.705 -9.692 3.868 1.00 0.00 H new ATOM 0 HZ2 LYS A 55 8.273 -8.811 3.630 1.00 0.00 H new ATOM 0 HZ3 LYS A 55 9.178 -9.337 2.293 1.00 0.00 H new ATOM 788 N THR A 56 8.897 -2.641 1.231 1.00 0.00 N ATOM 789 CA THR A 56 9.635 -1.723 0.373 1.00 0.00 C ATOM 790 C THR A 56 11.118 -2.076 0.337 1.00 0.00 C ATOM 791 O THR A 56 11.670 -2.580 1.315 1.00 0.00 O ATOM 792 CB THR A 56 9.478 -0.265 0.845 1.00 0.00 C ATOM 793 OG1 THR A 56 8.097 0.023 1.095 1.00 0.00 O ATOM 794 CG2 THR A 56 10.022 0.702 -0.196 1.00 0.00 C ATOM 0 H THR A 56 9.079 -2.525 2.228 1.00 0.00 H new ATOM 0 HA THR A 56 9.216 -1.821 -0.629 1.00 0.00 H new ATOM 0 HB THR A 56 10.047 -0.141 1.766 1.00 0.00 H new ATOM 0 HG1 THR A 56 7.872 0.900 0.719 1.00 0.00 H new ATOM 0 HG21 THR A 56 9.900 1.725 0.159 1.00 0.00 H new ATOM 0 HG22 THR A 56 11.080 0.499 -0.363 1.00 0.00 H new ATOM 0 HG23 THR A 56 9.476 0.575 -1.131 1.00 0.00 H new ATOM 802 N PHE A 57 11.758 -1.807 -0.796 1.00 0.00 N ATOM 803 CA PHE A 57 13.177 -2.096 -0.960 1.00 0.00 C ATOM 804 C PHE A 57 13.889 -0.946 -1.667 1.00 0.00 C ATOM 805 O PHE A 57 13.715 -0.737 -2.866 1.00 0.00 O ATOM 806 CB PHE A 57 13.367 -3.392 -1.751 1.00 0.00 C ATOM 807 CG PHE A 57 12.737 -4.590 -1.101 1.00 0.00 C ATOM 808 CD1 PHE A 57 13.351 -5.216 -0.029 1.00 0.00 C ATOM 809 CD2 PHE A 57 11.529 -5.090 -1.562 1.00 0.00 C ATOM 810 CE1 PHE A 57 12.773 -6.319 0.573 1.00 0.00 C ATOM 811 CE2 PHE A 57 10.947 -6.191 -0.964 1.00 0.00 C ATOM 812 CZ PHE A 57 11.570 -6.807 0.103 1.00 0.00 C ATOM 0 H PHE A 57 11.316 -1.389 -1.615 1.00 0.00 H new ATOM 0 HA PHE A 57 13.614 -2.216 0.031 1.00 0.00 H new ATOM 0 HB2 PHE A 57 12.944 -3.265 -2.748 1.00 0.00 H new ATOM 0 HB3 PHE A 57 14.434 -3.577 -1.879 1.00 0.00 H new ATOM 0 HD1 PHE A 57 14.293 -4.838 0.341 1.00 0.00 H new ATOM 0 HD2 PHE A 57 11.038 -4.614 -2.398 1.00 0.00 H new ATOM 0 HE1 PHE A 57 13.262 -6.797 1.409 1.00 0.00 H new ATOM 0 HE2 PHE A 57 10.005 -6.570 -1.331 1.00 0.00 H new ATOM 0 HZ PHE A 57 11.117 -7.669 0.569 1.00 0.00 H new ATOM 822 N GLY A 58 14.692 -0.202 -0.912 1.00 0.00 N ATOM 823 CA GLY A 58 15.418 0.918 -1.482 1.00 0.00 C ATOM 824 C GLY A 58 15.567 2.069 -0.507 1.00 0.00 C ATOM 825 O GLY A 58 15.929 1.867 0.652 1.00 0.00 O ATOM 0 H GLY A 58 14.853 -0.355 0.084 1.00 0.00 H new ATOM 0 HA2 GLY A 58 16.406 0.583 -1.798 1.00 0.00 H new ATOM 0 HA3 GLY A 58 14.899 1.267 -2.375 1.00 0.00 H new ATOM 829 N CYS A 59 15.287 3.280 -0.977 1.00 0.00 N ATOM 830 CA CYS A 59 15.394 4.469 -0.140 1.00 0.00 C ATOM 831 C CYS A 59 14.467 4.368 1.068 1.00 0.00 C ATOM 832 O CYS A 59 13.719 3.402 1.211 1.00 0.00 O ATOM 833 CB CYS A 59 15.057 5.721 -0.952 1.00 0.00 C ATOM 834 SG CYS A 59 13.279 5.935 -1.286 1.00 0.00 S ATOM 0 H CYS A 59 14.984 3.464 -1.934 1.00 0.00 H new ATOM 0 HA CYS A 59 16.421 4.541 0.217 1.00 0.00 H new ATOM 0 HB2 CYS A 59 15.423 6.597 -0.417 1.00 0.00 H new ATOM 0 HB3 CYS A 59 15.592 5.680 -1.901 1.00 0.00 H new ATOM 0 HG CYS A 59 13.052 7.159 -1.659 1.00 0.00 H new ATOM 839 N GLY A 60 14.523 5.374 1.936 1.00 0.00 N ATOM 840 CA GLY A 60 13.684 5.380 3.120 1.00 0.00 C ATOM 841 C GLY A 60 12.291 5.909 2.842 1.00 0.00 C ATOM 842 O GLY A 60 11.300 5.216 3.068 1.00 0.00 O ATOM 0 H GLY A 60 15.134 6.185 1.840 1.00 0.00 H new ATOM 0 HA2 GLY A 60 13.612 4.367 3.515 1.00 0.00 H new ATOM 0 HA3 GLY A 60 14.154 5.991 3.891 1.00 0.00 H new ATOM 846 N SER A 61 12.216 7.142 2.350 1.00 0.00 N ATOM 847 CA SER A 61 10.933 7.766 2.045 1.00 0.00 C ATOM 848 C SER A 61 9.934 6.732 1.533 1.00 0.00 C ATOM 849 O SER A 61 8.735 6.830 1.793 1.00 0.00 O ATOM 850 CB SER A 61 11.115 8.874 1.007 1.00 0.00 C ATOM 851 OG SER A 61 9.868 9.283 0.473 1.00 0.00 O ATOM 0 H SER A 61 13.028 7.728 2.154 1.00 0.00 H new ATOM 0 HA SER A 61 10.540 8.201 2.964 1.00 0.00 H new ATOM 0 HB2 SER A 61 11.615 9.727 1.465 1.00 0.00 H new ATOM 0 HB3 SER A 61 11.760 8.521 0.203 1.00 0.00 H new ATOM 0 HG SER A 61 9.200 9.314 1.189 1.00 0.00 H new ATOM 857 N ALA A 62 10.438 5.742 0.805 1.00 0.00 N ATOM 858 CA ALA A 62 9.592 4.689 0.258 1.00 0.00 C ATOM 859 C ALA A 62 9.098 3.755 1.357 1.00 0.00 C ATOM 860 O ALA A 62 7.906 3.456 1.441 1.00 0.00 O ATOM 861 CB ALA A 62 10.347 3.904 -0.805 1.00 0.00 C ATOM 0 H ALA A 62 11.428 5.647 0.580 1.00 0.00 H new ATOM 0 HA ALA A 62 8.722 5.158 -0.202 1.00 0.00 H new ATOM 0 HB1 ALA A 62 9.703 3.121 -1.205 1.00 0.00 H new ATOM 0 HB2 ALA A 62 10.645 4.575 -1.610 1.00 0.00 H new ATOM 0 HB3 ALA A 62 11.235 3.453 -0.362 1.00 0.00 H new ATOM 867 N ILE A 63 10.020 3.296 2.196 1.00 0.00 N ATOM 868 CA ILE A 63 9.677 2.396 3.290 1.00 0.00 C ATOM 869 C ILE A 63 8.765 3.083 4.301 1.00 0.00 C ATOM 870 O ILE A 63 7.830 2.475 4.822 1.00 0.00 O ATOM 871 CB ILE A 63 10.936 1.886 4.016 1.00 0.00 C ATOM 872 CG1 ILE A 63 11.849 1.144 3.037 1.00 0.00 C ATOM 873 CG2 ILE A 63 10.549 0.982 5.176 1.00 0.00 C ATOM 874 CD1 ILE A 63 13.317 1.242 3.389 1.00 0.00 C ATOM 0 H ILE A 63 11.011 3.533 2.139 1.00 0.00 H new ATOM 0 HA ILE A 63 9.154 1.548 2.848 1.00 0.00 H new ATOM 0 HB ILE A 63 11.480 2.742 4.415 1.00 0.00 H new ATOM 0 HG12 ILE A 63 11.560 0.093 3.008 1.00 0.00 H new ATOM 0 HG13 ILE A 63 11.696 1.545 2.035 1.00 0.00 H new ATOM 0 HG21 ILE A 63 11.450 0.630 5.679 1.00 0.00 H new ATOM 0 HG22 ILE A 63 9.934 1.539 5.882 1.00 0.00 H new ATOM 0 HG23 ILE A 63 9.986 0.128 4.800 1.00 0.00 H new ATOM 0 HD11 ILE A 63 13.905 0.693 2.653 1.00 0.00 H new ATOM 0 HD12 ILE A 63 13.622 2.289 3.390 1.00 0.00 H new ATOM 0 HD13 ILE A 63 13.483 0.815 4.378 1.00 0.00 H new ATOM 886 N ALA A 64 9.042 4.354 4.573 1.00 0.00 N ATOM 887 CA ALA A 64 8.245 5.125 5.518 1.00 0.00 C ATOM 888 C ALA A 64 6.819 5.310 5.011 1.00 0.00 C ATOM 889 O ALA A 64 5.871 4.771 5.582 1.00 0.00 O ATOM 890 CB ALA A 64 8.894 6.476 5.778 1.00 0.00 C ATOM 0 H ALA A 64 9.813 4.872 4.152 1.00 0.00 H new ATOM 0 HA ALA A 64 8.201 4.570 6.455 1.00 0.00 H new ATOM 0 HB1 ALA A 64 8.287 7.041 6.486 1.00 0.00 H new ATOM 0 HB2 ALA A 64 9.891 6.327 6.193 1.00 0.00 H new ATOM 0 HB3 ALA A 64 8.969 7.030 4.842 1.00 0.00 H new ATOM 896 N SER A 65 6.673 6.077 3.935 1.00 0.00 N ATOM 897 CA SER A 65 5.362 6.337 3.353 1.00 0.00 C ATOM 898 C SER A 65 4.513 5.069 3.338 1.00 0.00 C ATOM 899 O SER A 65 3.337 5.092 3.700 1.00 0.00 O ATOM 900 CB SER A 65 5.510 6.882 1.931 1.00 0.00 C ATOM 901 OG SER A 65 6.039 8.197 1.941 1.00 0.00 O ATOM 0 H SER A 65 7.447 6.529 3.449 1.00 0.00 H new ATOM 0 HA SER A 65 4.860 7.083 3.970 1.00 0.00 H new ATOM 0 HB2 SER A 65 6.164 6.228 1.354 1.00 0.00 H new ATOM 0 HB3 SER A 65 4.539 6.881 1.435 1.00 0.00 H new ATOM 0 HG SER A 65 7.017 8.156 1.900 1.00 0.00 H new ATOM 907 N SER A 66 5.119 3.964 2.916 1.00 0.00 N ATOM 908 CA SER A 66 4.419 2.686 2.849 1.00 0.00 C ATOM 909 C SER A 66 3.945 2.254 4.233 1.00 0.00 C ATOM 910 O SER A 66 2.780 1.905 4.421 1.00 0.00 O ATOM 911 CB SER A 66 5.330 1.612 2.251 1.00 0.00 C ATOM 912 OG SER A 66 6.553 1.527 2.963 1.00 0.00 O ATOM 0 H SER A 66 6.093 3.928 2.615 1.00 0.00 H new ATOM 0 HA SER A 66 3.547 2.810 2.207 1.00 0.00 H new ATOM 0 HB2 SER A 66 4.824 0.647 2.275 1.00 0.00 H new ATOM 0 HB3 SER A 66 5.530 1.842 1.204 1.00 0.00 H new ATOM 0 HG SER A 66 7.179 0.955 2.471 1.00 0.00 H new ATOM 918 N SER A 67 4.858 2.279 5.199 1.00 0.00 N ATOM 919 CA SER A 67 4.535 1.887 6.566 1.00 0.00 C ATOM 920 C SER A 67 3.310 2.641 7.073 1.00 0.00 C ATOM 921 O SER A 67 2.469 2.081 7.777 1.00 0.00 O ATOM 922 CB SER A 67 5.727 2.147 7.489 1.00 0.00 C ATOM 923 OG SER A 67 5.799 3.514 7.855 1.00 0.00 O ATOM 0 H SER A 67 5.827 2.566 5.060 1.00 0.00 H new ATOM 0 HA SER A 67 4.309 0.821 6.568 1.00 0.00 H new ATOM 0 HB2 SER A 67 5.639 1.532 8.384 1.00 0.00 H new ATOM 0 HB3 SER A 67 6.649 1.852 6.989 1.00 0.00 H new ATOM 0 HG SER A 67 6.100 4.043 7.087 1.00 0.00 H new ATOM 929 N LEU A 68 3.217 3.916 6.711 1.00 0.00 N ATOM 930 CA LEU A 68 2.095 4.750 7.129 1.00 0.00 C ATOM 931 C LEU A 68 0.857 4.458 6.287 1.00 0.00 C ATOM 932 O LEU A 68 -0.262 4.432 6.799 1.00 0.00 O ATOM 933 CB LEU A 68 2.465 6.230 7.017 1.00 0.00 C ATOM 934 CG LEU A 68 1.303 7.220 7.101 1.00 0.00 C ATOM 935 CD1 LEU A 68 1.763 8.532 7.717 1.00 0.00 C ATOM 936 CD2 LEU A 68 0.703 7.457 5.723 1.00 0.00 C ATOM 0 H LEU A 68 3.905 4.395 6.129 1.00 0.00 H new ATOM 0 HA LEU A 68 1.868 4.517 8.169 1.00 0.00 H new ATOM 0 HB2 LEU A 68 3.176 6.467 7.808 1.00 0.00 H new ATOM 0 HB3 LEU A 68 2.980 6.385 6.069 1.00 0.00 H new ATOM 0 HG LEU A 68 0.532 6.792 7.742 1.00 0.00 H new ATOM 0 HD11 LEU A 68 0.923 9.224 7.769 1.00 0.00 H new ATOM 0 HD12 LEU A 68 2.144 8.348 8.722 1.00 0.00 H new ATOM 0 HD13 LEU A 68 2.553 8.965 7.103 1.00 0.00 H new ATOM 0 HD21 LEU A 68 -0.123 8.164 5.802 1.00 0.00 H new ATOM 0 HD22 LEU A 68 1.466 7.863 5.059 1.00 0.00 H new ATOM 0 HD23 LEU A 68 0.335 6.514 5.319 1.00 0.00 H new ATOM 948 N ALA A 69 1.066 4.238 4.993 1.00 0.00 N ATOM 949 CA ALA A 69 -0.033 3.944 4.081 1.00 0.00 C ATOM 950 C ALA A 69 -0.672 2.598 4.408 1.00 0.00 C ATOM 951 O ALA A 69 -1.855 2.525 4.743 1.00 0.00 O ATOM 952 CB ALA A 69 0.458 3.962 2.641 1.00 0.00 C ATOM 0 H ALA A 69 1.986 4.258 4.553 1.00 0.00 H new ATOM 0 HA ALA A 69 -0.792 4.716 4.204 1.00 0.00 H new ATOM 0 HB1 ALA A 69 -0.373 3.741 1.971 1.00 0.00 H new ATOM 0 HB2 ALA A 69 0.861 4.947 2.406 1.00 0.00 H new ATOM 0 HB3 ALA A 69 1.237 3.211 2.513 1.00 0.00 H new ATOM 958 N THR A 70 0.117 1.533 4.307 1.00 0.00 N ATOM 959 CA THR A 70 -0.372 0.190 4.590 1.00 0.00 C ATOM 960 C THR A 70 -1.142 0.151 5.905 1.00 0.00 C ATOM 961 O THR A 70 -1.956 -0.744 6.131 1.00 0.00 O ATOM 962 CB THR A 70 0.783 -0.827 4.655 1.00 0.00 C ATOM 963 OG1 THR A 70 0.284 -2.151 4.436 1.00 0.00 O ATOM 964 CG2 THR A 70 1.487 -0.761 6.002 1.00 0.00 C ATOM 0 H THR A 70 1.098 1.575 4.031 1.00 0.00 H new ATOM 0 HA THR A 70 -1.040 -0.081 3.772 1.00 0.00 H new ATOM 0 HB THR A 70 1.502 -0.577 3.875 1.00 0.00 H new ATOM 0 HG1 THR A 70 0.615 -2.746 5.141 1.00 0.00 H new ATOM 0 HG21 THR A 70 2.299 -1.488 6.024 1.00 0.00 H new ATOM 0 HG22 THR A 70 1.892 0.240 6.152 1.00 0.00 H new ATOM 0 HG23 THR A 70 0.775 -0.987 6.796 1.00 0.00 H new ATOM 972 N GLU A 71 -0.881 1.127 6.768 1.00 0.00 N ATOM 973 CA GLU A 71 -1.551 1.202 8.061 1.00 0.00 C ATOM 974 C GLU A 71 -2.866 1.969 7.948 1.00 0.00 C ATOM 975 O GLU A 71 -3.808 1.720 8.701 1.00 0.00 O ATOM 976 CB GLU A 71 -0.643 1.875 9.093 1.00 0.00 C ATOM 977 CG GLU A 71 -1.370 2.302 10.357 1.00 0.00 C ATOM 978 CD GLU A 71 -0.476 2.275 11.581 1.00 0.00 C ATOM 979 OE1 GLU A 71 0.669 2.765 11.492 1.00 0.00 O ATOM 980 OE2 GLU A 71 -0.922 1.763 12.629 1.00 0.00 O ATOM 0 H GLU A 71 -0.211 1.876 6.596 1.00 0.00 H new ATOM 0 HA GLU A 71 -1.769 0.185 8.388 1.00 0.00 H new ATOM 0 HB2 GLU A 71 0.160 1.188 9.360 1.00 0.00 H new ATOM 0 HB3 GLU A 71 -0.177 2.750 8.639 1.00 0.00 H new ATOM 0 HG2 GLU A 71 -1.765 3.309 10.222 1.00 0.00 H new ATOM 0 HG3 GLU A 71 -2.224 1.644 10.521 1.00 0.00 H new ATOM 987 N TRP A 72 -2.921 2.900 7.004 1.00 0.00 N ATOM 988 CA TRP A 72 -4.120 3.704 6.792 1.00 0.00 C ATOM 989 C TRP A 72 -5.250 2.855 6.219 1.00 0.00 C ATOM 990 O TRP A 72 -6.403 2.976 6.634 1.00 0.00 O ATOM 991 CB TRP A 72 -3.817 4.873 5.854 1.00 0.00 C ATOM 992 CG TRP A 72 -3.113 6.010 6.530 1.00 0.00 C ATOM 993 CD1 TRP A 72 -2.613 6.025 7.800 1.00 0.00 C ATOM 994 CD2 TRP A 72 -2.832 7.298 5.971 1.00 0.00 C ATOM 995 NE1 TRP A 72 -2.038 7.245 8.065 1.00 0.00 N ATOM 996 CE2 TRP A 72 -2.159 8.043 6.959 1.00 0.00 C ATOM 997 CE3 TRP A 72 -3.082 7.893 4.732 1.00 0.00 C ATOM 998 CZ2 TRP A 72 -1.736 9.352 6.744 1.00 0.00 C ATOM 999 CZ3 TRP A 72 -2.662 9.193 4.520 1.00 0.00 C ATOM 1000 CH2 TRP A 72 -1.994 9.910 5.521 1.00 0.00 C ATOM 0 H TRP A 72 -2.150 3.118 6.373 1.00 0.00 H new ATOM 0 HA TRP A 72 -4.439 4.097 7.757 1.00 0.00 H new ATOM 0 HB2 TRP A 72 -3.204 4.516 5.027 1.00 0.00 H new ATOM 0 HB3 TRP A 72 -4.751 5.237 5.425 1.00 0.00 H new ATOM 0 HD1 TRP A 72 -2.662 5.199 8.495 1.00 0.00 H new ATOM 0 HE1 TRP A 72 -1.593 7.512 8.943 1.00 0.00 H new ATOM 0 HE3 TRP A 72 -3.594 7.347 3.954 1.00 0.00 H new ATOM 0 HZ2 TRP A 72 -1.223 9.907 7.515 1.00 0.00 H new ATOM 0 HZ3 TRP A 72 -2.852 9.664 3.567 1.00 0.00 H new ATOM 0 HH2 TRP A 72 -1.676 10.923 5.324 1.00 0.00 H new ATOM 1011 N VAL A 73 -4.912 1.996 5.263 1.00 0.00 N ATOM 1012 CA VAL A 73 -5.899 1.126 4.633 1.00 0.00 C ATOM 1013 C VAL A 73 -6.561 0.214 5.660 1.00 0.00 C ATOM 1014 O VAL A 73 -7.775 0.007 5.632 1.00 0.00 O ATOM 1015 CB VAL A 73 -5.262 0.261 3.530 1.00 0.00 C ATOM 1016 CG1 VAL A 73 -4.641 1.140 2.454 1.00 0.00 C ATOM 1017 CG2 VAL A 73 -4.226 -0.681 4.123 1.00 0.00 C ATOM 0 H VAL A 73 -3.963 1.884 4.908 1.00 0.00 H new ATOM 0 HA VAL A 73 -6.653 1.774 4.186 1.00 0.00 H new ATOM 0 HB VAL A 73 -6.044 -0.341 3.068 1.00 0.00 H new ATOM 0 HG11 VAL A 73 -4.196 0.511 1.683 1.00 0.00 H new ATOM 0 HG12 VAL A 73 -5.412 1.769 2.009 1.00 0.00 H new ATOM 0 HG13 VAL A 73 -3.870 1.770 2.899 1.00 0.00 H new ATOM 0 HG21 VAL A 73 -3.786 -1.285 3.329 1.00 0.00 H new ATOM 0 HG22 VAL A 73 -3.444 -0.100 4.613 1.00 0.00 H new ATOM 0 HG23 VAL A 73 -4.704 -1.334 4.853 1.00 0.00 H new ATOM 1027 N LYS A 74 -5.756 -0.330 6.567 1.00 0.00 N ATOM 1028 CA LYS A 74 -6.263 -1.219 7.605 1.00 0.00 C ATOM 1029 C LYS A 74 -7.554 -0.674 8.207 1.00 0.00 C ATOM 1030 O LYS A 74 -7.645 0.508 8.538 1.00 0.00 O ATOM 1031 CB LYS A 74 -5.214 -1.405 8.703 1.00 0.00 C ATOM 1032 CG LYS A 74 -3.969 -2.140 8.237 1.00 0.00 C ATOM 1033 CD LYS A 74 -2.962 -2.300 9.364 1.00 0.00 C ATOM 1034 CE LYS A 74 -1.620 -2.795 8.846 1.00 0.00 C ATOM 1035 NZ LYS A 74 -0.635 -2.981 9.947 1.00 0.00 N ATOM 0 H LYS A 74 -4.749 -0.170 6.604 1.00 0.00 H new ATOM 0 HA LYS A 74 -6.477 -2.185 7.148 1.00 0.00 H new ATOM 0 HB2 LYS A 74 -4.926 -0.427 9.088 1.00 0.00 H new ATOM 0 HB3 LYS A 74 -5.661 -1.954 9.532 1.00 0.00 H new ATOM 0 HG2 LYS A 74 -4.247 -3.122 7.854 1.00 0.00 H new ATOM 0 HG3 LYS A 74 -3.510 -1.594 7.412 1.00 0.00 H new ATOM 0 HD2 LYS A 74 -2.827 -1.345 9.872 1.00 0.00 H new ATOM 0 HD3 LYS A 74 -3.349 -3.002 10.103 1.00 0.00 H new ATOM 0 HE2 LYS A 74 -1.760 -3.740 8.320 1.00 0.00 H new ATOM 0 HE3 LYS A 74 -1.225 -2.082 8.122 1.00 0.00 H new ATOM 0 HZ1 LYS A 74 0.266 -3.319 9.553 1.00 0.00 H new ATOM 0 HZ2 LYS A 74 -0.482 -2.074 10.433 1.00 0.00 H new ATOM 0 HZ3 LYS A 74 -1.000 -3.680 10.625 1.00 0.00 H new ATOM 1049 N GLY A 75 -8.550 -1.543 8.347 1.00 0.00 N ATOM 1050 CA GLY A 75 -9.822 -1.129 8.911 1.00 0.00 C ATOM 1051 C GLY A 75 -10.752 -0.537 7.870 1.00 0.00 C ATOM 1052 O GLY A 75 -11.964 -0.752 7.915 1.00 0.00 O ATOM 0 H GLY A 75 -8.499 -2.526 8.080 1.00 0.00 H new ATOM 0 HA2 GLY A 75 -10.305 -1.987 9.379 1.00 0.00 H new ATOM 0 HA3 GLY A 75 -9.646 -0.394 9.696 1.00 0.00 H new ATOM 1056 N LYS A 76 -10.186 0.211 6.930 1.00 0.00 N ATOM 1057 CA LYS A 76 -10.971 0.837 5.873 1.00 0.00 C ATOM 1058 C LYS A 76 -11.289 -0.163 4.766 1.00 0.00 C ATOM 1059 O LYS A 76 -10.730 -1.260 4.726 1.00 0.00 O ATOM 1060 CB LYS A 76 -10.218 2.035 5.291 1.00 0.00 C ATOM 1061 CG LYS A 76 -9.742 3.023 6.341 1.00 0.00 C ATOM 1062 CD LYS A 76 -8.902 4.130 5.726 1.00 0.00 C ATOM 1063 CE LYS A 76 -9.762 5.309 5.297 1.00 0.00 C ATOM 1064 NZ LYS A 76 -9.911 6.312 6.388 1.00 0.00 N ATOM 0 H LYS A 76 -9.185 0.399 6.878 1.00 0.00 H new ATOM 0 HA LYS A 76 -11.909 1.182 6.308 1.00 0.00 H new ATOM 0 HB2 LYS A 76 -9.358 1.674 4.728 1.00 0.00 H new ATOM 0 HB3 LYS A 76 -10.867 2.553 4.585 1.00 0.00 H new ATOM 0 HG2 LYS A 76 -10.603 3.458 6.849 1.00 0.00 H new ATOM 0 HG3 LYS A 76 -9.157 2.499 7.097 1.00 0.00 H new ATOM 0 HD2 LYS A 76 -8.156 4.465 6.447 1.00 0.00 H new ATOM 0 HD3 LYS A 76 -8.360 3.741 4.864 1.00 0.00 H new ATOM 0 HE2 LYS A 76 -9.316 5.785 4.424 1.00 0.00 H new ATOM 0 HE3 LYS A 76 -10.746 4.950 4.996 1.00 0.00 H new ATOM 0 HZ1 LYS A 76 -10.504 7.100 6.057 1.00 0.00 H new ATOM 0 HZ2 LYS A 76 -10.360 5.864 7.212 1.00 0.00 H new ATOM 0 HZ3 LYS A 76 -8.974 6.673 6.658 1.00 0.00 H new ATOM 1078 N THR A 77 -12.190 0.221 3.868 1.00 0.00 N ATOM 1079 CA THR A 77 -12.582 -0.642 2.761 1.00 0.00 C ATOM 1080 C THR A 77 -11.813 -0.291 1.492 1.00 0.00 C ATOM 1081 O THR A 77 -11.249 0.797 1.376 1.00 0.00 O ATOM 1082 CB THR A 77 -14.093 -0.540 2.476 1.00 0.00 C ATOM 1083 OG1 THR A 77 -14.432 0.801 2.105 1.00 0.00 O ATOM 1084 CG2 THR A 77 -14.902 -0.954 3.696 1.00 0.00 C ATOM 0 H THR A 77 -12.662 1.125 3.886 1.00 0.00 H new ATOM 0 HA THR A 77 -12.344 -1.664 3.057 1.00 0.00 H new ATOM 0 HB THR A 77 -14.332 -1.215 1.654 1.00 0.00 H new ATOM 0 HG1 THR A 77 -14.958 1.216 2.821 1.00 0.00 H new ATOM 0 HG21 THR A 77 -15.966 -0.874 3.472 1.00 0.00 H new ATOM 0 HG22 THR A 77 -14.663 -1.985 3.958 1.00 0.00 H new ATOM 0 HG23 THR A 77 -14.658 -0.300 4.533 1.00 0.00 H new ATOM 1092 N VAL A 78 -11.795 -1.220 0.541 1.00 0.00 N ATOM 1093 CA VAL A 78 -11.097 -1.008 -0.721 1.00 0.00 C ATOM 1094 C VAL A 78 -11.470 0.335 -1.338 1.00 0.00 C ATOM 1095 O VAL A 78 -10.622 1.031 -1.894 1.00 0.00 O ATOM 1096 CB VAL A 78 -11.410 -2.129 -1.731 1.00 0.00 C ATOM 1097 CG1 VAL A 78 -10.972 -3.479 -1.184 1.00 0.00 C ATOM 1098 CG2 VAL A 78 -12.893 -2.138 -2.072 1.00 0.00 C ATOM 0 H VAL A 78 -12.256 -2.126 0.621 1.00 0.00 H new ATOM 0 HA VAL A 78 -10.030 -1.017 -0.497 1.00 0.00 H new ATOM 0 HB VAL A 78 -10.850 -1.937 -2.646 1.00 0.00 H new ATOM 0 HG11 VAL A 78 -11.201 -4.258 -1.911 1.00 0.00 H new ATOM 0 HG12 VAL A 78 -9.899 -3.464 -0.995 1.00 0.00 H new ATOM 0 HG13 VAL A 78 -11.502 -3.684 -0.254 1.00 0.00 H new ATOM 0 HG21 VAL A 78 -13.097 -2.935 -2.786 1.00 0.00 H new ATOM 0 HG22 VAL A 78 -13.474 -2.306 -1.165 1.00 0.00 H new ATOM 0 HG23 VAL A 78 -13.172 -1.179 -2.509 1.00 0.00 H new ATOM 1108 N GLU A 79 -12.746 0.694 -1.233 1.00 0.00 N ATOM 1109 CA GLU A 79 -13.232 1.955 -1.781 1.00 0.00 C ATOM 1110 C GLU A 79 -12.552 3.140 -1.102 1.00 0.00 C ATOM 1111 O GLU A 79 -12.116 4.081 -1.765 1.00 0.00 O ATOM 1112 CB GLU A 79 -14.749 2.058 -1.614 1.00 0.00 C ATOM 1113 CG GLU A 79 -15.512 0.908 -2.251 1.00 0.00 C ATOM 1114 CD GLU A 79 -16.884 0.708 -1.638 1.00 0.00 C ATOM 1115 OE1 GLU A 79 -17.610 1.709 -1.466 1.00 0.00 O ATOM 1116 OE2 GLU A 79 -17.232 -0.452 -1.330 1.00 0.00 O ATOM 0 H GLU A 79 -13.461 0.130 -0.774 1.00 0.00 H new ATOM 0 HA GLU A 79 -12.989 1.979 -2.843 1.00 0.00 H new ATOM 0 HB2 GLU A 79 -14.987 2.096 -0.551 1.00 0.00 H new ATOM 0 HB3 GLU A 79 -15.091 2.996 -2.051 1.00 0.00 H new ATOM 0 HG2 GLU A 79 -15.619 1.096 -3.319 1.00 0.00 H new ATOM 0 HG3 GLU A 79 -14.934 -0.010 -2.145 1.00 0.00 H new ATOM 1123 N GLU A 80 -12.467 3.087 0.223 1.00 0.00 N ATOM 1124 CA GLU A 80 -11.843 4.157 0.992 1.00 0.00 C ATOM 1125 C GLU A 80 -10.388 4.351 0.572 1.00 0.00 C ATOM 1126 O GLU A 80 -9.954 5.470 0.302 1.00 0.00 O ATOM 1127 CB GLU A 80 -11.916 3.849 2.489 1.00 0.00 C ATOM 1128 CG GLU A 80 -13.333 3.666 3.004 1.00 0.00 C ATOM 1129 CD GLU A 80 -14.127 4.958 2.999 1.00 0.00 C ATOM 1130 OE1 GLU A 80 -13.536 6.020 3.287 1.00 0.00 O ATOM 1131 OE2 GLU A 80 -15.340 4.908 2.707 1.00 0.00 O ATOM 0 H GLU A 80 -12.822 2.315 0.786 1.00 0.00 H new ATOM 0 HA GLU A 80 -12.388 5.079 0.791 1.00 0.00 H new ATOM 0 HB2 GLU A 80 -11.344 2.944 2.693 1.00 0.00 H new ATOM 0 HB3 GLU A 80 -11.439 4.659 3.042 1.00 0.00 H new ATOM 0 HG2 GLU A 80 -13.846 2.926 2.390 1.00 0.00 H new ATOM 0 HG3 GLU A 80 -13.298 3.269 4.019 1.00 0.00 H new ATOM 1138 N ALA A 81 -9.642 3.253 0.520 1.00 0.00 N ATOM 1139 CA ALA A 81 -8.238 3.301 0.132 1.00 0.00 C ATOM 1140 C ALA A 81 -8.061 4.018 -1.202 1.00 0.00 C ATOM 1141 O ALA A 81 -7.126 4.799 -1.380 1.00 0.00 O ATOM 1142 CB ALA A 81 -7.662 1.894 0.058 1.00 0.00 C ATOM 0 H ALA A 81 -9.987 2.319 0.742 1.00 0.00 H new ATOM 0 HA ALA A 81 -7.696 3.864 0.892 1.00 0.00 H new ATOM 0 HB1 ALA A 81 -6.613 1.945 -0.233 1.00 0.00 H new ATOM 0 HB2 ALA A 81 -7.745 1.415 1.034 1.00 0.00 H new ATOM 0 HB3 ALA A 81 -8.215 1.313 -0.680 1.00 0.00 H new ATOM 1148 N LEU A 82 -8.964 3.746 -2.138 1.00 0.00 N ATOM 1149 CA LEU A 82 -8.908 4.365 -3.458 1.00 0.00 C ATOM 1150 C LEU A 82 -8.946 5.886 -3.348 1.00 0.00 C ATOM 1151 O LEU A 82 -8.436 6.596 -4.216 1.00 0.00 O ATOM 1152 CB LEU A 82 -10.071 3.876 -4.322 1.00 0.00 C ATOM 1153 CG LEU A 82 -9.796 2.642 -5.183 1.00 0.00 C ATOM 1154 CD1 LEU A 82 -8.858 2.989 -6.328 1.00 0.00 C ATOM 1155 CD2 LEU A 82 -9.213 1.520 -4.335 1.00 0.00 C ATOM 0 H LEU A 82 -9.743 3.101 -2.007 1.00 0.00 H new ATOM 0 HA LEU A 82 -7.968 4.076 -3.928 1.00 0.00 H new ATOM 0 HB2 LEU A 82 -10.916 3.657 -3.669 1.00 0.00 H new ATOM 0 HB3 LEU A 82 -10.378 4.691 -4.978 1.00 0.00 H new ATOM 0 HG LEU A 82 -10.740 2.299 -5.605 1.00 0.00 H new ATOM 0 HD11 LEU A 82 -8.674 2.099 -6.930 1.00 0.00 H new ATOM 0 HD12 LEU A 82 -9.313 3.760 -6.950 1.00 0.00 H new ATOM 0 HD13 LEU A 82 -7.914 3.357 -5.926 1.00 0.00 H new ATOM 0 HD21 LEU A 82 -9.023 0.650 -4.963 1.00 0.00 H new ATOM 0 HD22 LEU A 82 -8.278 1.853 -3.884 1.00 0.00 H new ATOM 0 HD23 LEU A 82 -9.920 1.253 -3.549 1.00 0.00 H new ATOM 1167 N THR A 83 -9.553 6.382 -2.274 1.00 0.00 N ATOM 1168 CA THR A 83 -9.657 7.818 -2.050 1.00 0.00 C ATOM 1169 C THR A 83 -8.362 8.380 -1.473 1.00 0.00 C ATOM 1170 O THR A 83 -8.116 9.585 -1.534 1.00 0.00 O ATOM 1171 CB THR A 83 -10.818 8.155 -1.096 1.00 0.00 C ATOM 1172 OG1 THR A 83 -10.399 7.993 0.263 1.00 0.00 O ATOM 1173 CG2 THR A 83 -12.020 7.264 -1.371 1.00 0.00 C ATOM 0 H THR A 83 -9.980 5.810 -1.546 1.00 0.00 H new ATOM 0 HA THR A 83 -9.849 8.276 -3.020 1.00 0.00 H new ATOM 0 HB THR A 83 -11.108 9.192 -1.265 1.00 0.00 H new ATOM 0 HG1 THR A 83 -9.925 7.141 0.360 1.00 0.00 H new ATOM 0 HG21 THR A 83 -12.827 7.520 -0.685 1.00 0.00 H new ATOM 0 HG22 THR A 83 -12.355 7.412 -2.398 1.00 0.00 H new ATOM 0 HG23 THR A 83 -11.740 6.220 -1.228 1.00 0.00 H new ATOM 1181 N ILE A 84 -7.538 7.499 -0.915 1.00 0.00 N ATOM 1182 CA ILE A 84 -6.267 7.908 -0.329 1.00 0.00 C ATOM 1183 C ILE A 84 -5.355 8.535 -1.378 1.00 0.00 C ATOM 1184 O ILE A 84 -4.957 7.882 -2.343 1.00 0.00 O ATOM 1185 CB ILE A 84 -5.539 6.718 0.322 1.00 0.00 C ATOM 1186 CG1 ILE A 84 -6.352 6.177 1.500 1.00 0.00 C ATOM 1187 CG2 ILE A 84 -4.148 7.133 0.779 1.00 0.00 C ATOM 1188 CD1 ILE A 84 -5.733 4.962 2.155 1.00 0.00 C ATOM 0 H ILE A 84 -7.727 6.498 -0.856 1.00 0.00 H new ATOM 0 HA ILE A 84 -6.496 8.647 0.439 1.00 0.00 H new ATOM 0 HB ILE A 84 -5.436 5.925 -0.419 1.00 0.00 H new ATOM 0 HG12 ILE A 84 -6.464 6.964 2.246 1.00 0.00 H new ATOM 0 HG13 ILE A 84 -7.353 5.922 1.153 1.00 0.00 H new ATOM 0 HG21 ILE A 84 -3.646 6.281 1.237 1.00 0.00 H new ATOM 0 HG22 ILE A 84 -3.570 7.476 -0.079 1.00 0.00 H new ATOM 0 HG23 ILE A 84 -4.230 7.940 1.507 1.00 0.00 H new ATOM 0 HD11 ILE A 84 -6.363 4.633 2.981 1.00 0.00 H new ATOM 0 HD12 ILE A 84 -5.646 4.159 1.423 1.00 0.00 H new ATOM 0 HD13 ILE A 84 -4.743 5.217 2.533 1.00 0.00 H new ATOM 1200 N LYS A 85 -5.025 9.807 -1.182 1.00 0.00 N ATOM 1201 CA LYS A 85 -4.156 10.524 -2.108 1.00 0.00 C ATOM 1202 C LYS A 85 -2.725 10.575 -1.583 1.00 0.00 C ATOM 1203 O LYS A 85 -2.477 10.324 -0.405 1.00 0.00 O ATOM 1204 CB LYS A 85 -4.679 11.945 -2.334 1.00 0.00 C ATOM 1205 CG LYS A 85 -6.109 11.993 -2.845 1.00 0.00 C ATOM 1206 CD LYS A 85 -6.820 13.257 -2.393 1.00 0.00 C ATOM 1207 CE LYS A 85 -8.330 13.076 -2.389 1.00 0.00 C ATOM 1208 NZ LYS A 85 -8.786 12.241 -1.243 1.00 0.00 N ATOM 0 H LYS A 85 -5.346 10.363 -0.390 1.00 0.00 H new ATOM 0 HA LYS A 85 -4.157 9.988 -3.057 1.00 0.00 H new ATOM 0 HB2 LYS A 85 -4.618 12.499 -1.397 1.00 0.00 H new ATOM 0 HB3 LYS A 85 -4.030 12.453 -3.047 1.00 0.00 H new ATOM 0 HG2 LYS A 85 -6.109 11.944 -3.934 1.00 0.00 H new ATOM 0 HG3 LYS A 85 -6.654 11.120 -2.486 1.00 0.00 H new ATOM 0 HD2 LYS A 85 -6.482 13.528 -1.393 1.00 0.00 H new ATOM 0 HD3 LYS A 85 -6.553 14.082 -3.054 1.00 0.00 H new ATOM 0 HE2 LYS A 85 -8.813 14.052 -2.342 1.00 0.00 H new ATOM 0 HE3 LYS A 85 -8.642 12.611 -3.324 1.00 0.00 H new ATOM 0 HZ1 LYS A 85 -9.793 12.424 -1.059 1.00 0.00 H new ATOM 0 HZ2 LYS A 85 -8.653 11.235 -1.472 1.00 0.00 H new ATOM 0 HZ3 LYS A 85 -8.231 12.480 -0.397 1.00 0.00 H new ATOM 1222 N ASN A 86 -1.787 10.904 -2.466 1.00 0.00 N ATOM 1223 CA ASN A 86 -0.380 10.990 -2.090 1.00 0.00 C ATOM 1224 C ASN A 86 -0.103 12.268 -1.305 1.00 0.00 C ATOM 1225 O ASN A 86 0.628 12.256 -0.314 1.00 0.00 O ATOM 1226 CB ASN A 86 0.506 10.941 -3.337 1.00 0.00 C ATOM 1227 CG ASN A 86 0.783 12.320 -3.903 1.00 0.00 C ATOM 1228 OD1 ASN A 86 1.370 13.171 -3.234 1.00 0.00 O ATOM 1229 ND2 ASN A 86 0.361 12.548 -5.141 1.00 0.00 N ATOM 0 H ASN A 86 -1.976 11.115 -3.446 1.00 0.00 H new ATOM 0 HA ASN A 86 -0.147 10.137 -1.453 1.00 0.00 H new ATOM 0 HB2 ASN A 86 1.450 10.456 -3.090 1.00 0.00 H new ATOM 0 HB3 ASN A 86 0.023 10.329 -4.099 1.00 0.00 H new ATOM 0 HD21 ASN A 86 0.519 13.458 -5.574 1.00 0.00 H new ATOM 0 HD22 ASN A 86 -0.121 11.813 -5.659 1.00 0.00 H new ATOM 1236 N THR A 87 -0.694 13.371 -1.754 1.00 0.00 N ATOM 1237 CA THR A 87 -0.511 14.658 -1.095 1.00 0.00 C ATOM 1238 C THR A 87 -0.513 14.505 0.422 1.00 0.00 C ATOM 1239 O THR A 87 0.410 14.954 1.102 1.00 0.00 O ATOM 1240 CB THR A 87 -1.611 15.658 -1.499 1.00 0.00 C ATOM 1241 OG1 THR A 87 -2.896 15.151 -1.122 1.00 0.00 O ATOM 1242 CG2 THR A 87 -1.582 15.917 -2.998 1.00 0.00 C ATOM 0 H THR A 87 -1.303 13.399 -2.571 1.00 0.00 H new ATOM 0 HA THR A 87 0.456 15.043 -1.418 1.00 0.00 H new ATOM 0 HB THR A 87 -1.426 16.598 -0.980 1.00 0.00 H new ATOM 0 HG1 THR A 87 -3.590 15.793 -1.381 1.00 0.00 H new ATOM 0 HG21 THR A 87 -2.367 16.626 -3.260 1.00 0.00 H new ATOM 0 HG22 THR A 87 -0.613 16.330 -3.277 1.00 0.00 H new ATOM 0 HG23 THR A 87 -1.745 14.981 -3.532 1.00 0.00 H new ATOM 1250 N ASP A 88 -1.553 13.866 0.946 1.00 0.00 N ATOM 1251 CA ASP A 88 -1.674 13.652 2.383 1.00 0.00 C ATOM 1252 C ASP A 88 -0.393 13.049 2.952 1.00 0.00 C ATOM 1253 O ASP A 88 0.217 13.610 3.862 1.00 0.00 O ATOM 1254 CB ASP A 88 -2.861 12.736 2.686 1.00 0.00 C ATOM 1255 CG ASP A 88 -4.193 13.440 2.514 1.00 0.00 C ATOM 1256 OD1 ASP A 88 -4.308 14.606 2.947 1.00 0.00 O ATOM 1257 OD2 ASP A 88 -5.120 12.825 1.947 1.00 0.00 O ATOM 0 H ASP A 88 -2.325 13.487 0.397 1.00 0.00 H new ATOM 0 HA ASP A 88 -1.841 14.619 2.857 1.00 0.00 H new ATOM 0 HB2 ASP A 88 -2.824 11.868 2.028 1.00 0.00 H new ATOM 0 HB3 ASP A 88 -2.779 12.365 3.708 1.00 0.00 H new ATOM 1262 N ILE A 89 0.007 11.904 2.409 1.00 0.00 N ATOM 1263 CA ILE A 89 1.215 11.225 2.863 1.00 0.00 C ATOM 1264 C ILE A 89 2.420 12.159 2.818 1.00 0.00 C ATOM 1265 O ILE A 89 3.004 12.486 3.851 1.00 0.00 O ATOM 1266 CB ILE A 89 1.515 9.978 2.010 1.00 0.00 C ATOM 1267 CG1 ILE A 89 0.313 9.031 2.013 1.00 0.00 C ATOM 1268 CG2 ILE A 89 2.757 9.269 2.527 1.00 0.00 C ATOM 1269 CD1 ILE A 89 0.417 7.921 0.991 1.00 0.00 C ATOM 0 H ILE A 89 -0.487 11.427 1.655 1.00 0.00 H new ATOM 0 HA ILE A 89 1.035 10.916 3.893 1.00 0.00 H new ATOM 0 HB ILE A 89 1.702 10.294 0.984 1.00 0.00 H new ATOM 0 HG12 ILE A 89 0.209 8.592 3.005 1.00 0.00 H new ATOM 0 HG13 ILE A 89 -0.593 9.606 1.822 1.00 0.00 H new ATOM 0 HG21 ILE A 89 2.956 8.390 1.914 1.00 0.00 H new ATOM 0 HG22 ILE A 89 3.610 9.946 2.478 1.00 0.00 H new ATOM 0 HG23 ILE A 89 2.597 8.962 3.561 1.00 0.00 H new ATOM 0 HD11 ILE A 89 -0.469 7.289 1.049 1.00 0.00 H new ATOM 0 HD12 ILE A 89 0.490 8.352 -0.008 1.00 0.00 H new ATOM 0 HD13 ILE A 89 1.305 7.322 1.194 1.00 0.00 H new ATOM 1281 N ALA A 90 2.785 12.588 1.615 1.00 0.00 N ATOM 1282 CA ALA A 90 3.918 13.487 1.435 1.00 0.00 C ATOM 1283 C ALA A 90 4.011 14.488 2.582 1.00 0.00 C ATOM 1284 O ALA A 90 5.064 14.641 3.202 1.00 0.00 O ATOM 1285 CB ALA A 90 3.807 14.216 0.104 1.00 0.00 C ATOM 0 H ALA A 90 2.312 12.327 0.750 1.00 0.00 H new ATOM 0 HA ALA A 90 4.829 12.888 1.434 1.00 0.00 H new ATOM 0 HB1 ALA A 90 4.660 14.884 -0.017 1.00 0.00 H new ATOM 0 HB2 ALA A 90 3.796 13.490 -0.709 1.00 0.00 H new ATOM 0 HB3 ALA A 90 2.885 14.797 0.083 1.00 0.00 H new ATOM 1291 N LYS A 91 2.904 15.168 2.859 1.00 0.00 N ATOM 1292 CA LYS A 91 2.859 16.154 3.933 1.00 0.00 C ATOM 1293 C LYS A 91 3.069 15.491 5.290 1.00 0.00 C ATOM 1294 O LYS A 91 3.969 15.866 6.041 1.00 0.00 O ATOM 1295 CB LYS A 91 1.521 16.895 3.917 1.00 0.00 C ATOM 1296 CG LYS A 91 1.429 18.007 4.947 1.00 0.00 C ATOM 1297 CD LYS A 91 0.099 18.737 4.863 1.00 0.00 C ATOM 1298 CE LYS A 91 0.171 19.919 3.909 1.00 0.00 C ATOM 1299 NZ LYS A 91 -1.045 20.774 3.992 1.00 0.00 N ATOM 0 H LYS A 91 2.025 15.055 2.354 1.00 0.00 H new ATOM 0 HA LYS A 91 3.665 16.869 3.770 1.00 0.00 H new ATOM 0 HB2 LYS A 91 1.360 17.316 2.925 1.00 0.00 H new ATOM 0 HB3 LYS A 91 0.717 16.180 4.094 1.00 0.00 H new ATOM 0 HG2 LYS A 91 1.553 17.590 5.946 1.00 0.00 H new ATOM 0 HG3 LYS A 91 2.244 18.715 4.793 1.00 0.00 H new ATOM 0 HD2 LYS A 91 -0.676 18.046 4.530 1.00 0.00 H new ATOM 0 HD3 LYS A 91 -0.189 19.086 5.855 1.00 0.00 H new ATOM 0 HE2 LYS A 91 1.052 20.518 4.139 1.00 0.00 H new ATOM 0 HE3 LYS A 91 0.290 19.555 2.888 1.00 0.00 H new ATOM 0 HZ1 LYS A 91 -0.957 21.568 3.327 1.00 0.00 H new ATOM 0 HZ2 LYS A 91 -1.884 20.209 3.748 1.00 0.00 H new ATOM 0 HZ3 LYS A 91 -1.145 21.142 4.959 1.00 0.00 H new ATOM 1313 N GLU A 92 2.234 14.504 5.597 1.00 0.00 N ATOM 1314 CA GLU A 92 2.330 13.789 6.864 1.00 0.00 C ATOM 1315 C GLU A 92 3.787 13.517 7.226 1.00 0.00 C ATOM 1316 O GLU A 92 4.253 13.897 8.302 1.00 0.00 O ATOM 1317 CB GLU A 92 1.556 12.470 6.792 1.00 0.00 C ATOM 1318 CG GLU A 92 1.069 11.975 8.143 1.00 0.00 C ATOM 1319 CD GLU A 92 0.514 13.091 9.007 1.00 0.00 C ATOM 1320 OE1 GLU A 92 1.298 13.704 9.761 1.00 0.00 O ATOM 1321 OE2 GLU A 92 -0.705 13.350 8.929 1.00 0.00 O ATOM 0 H GLU A 92 1.484 14.181 4.986 1.00 0.00 H new ATOM 0 HA GLU A 92 1.892 14.417 7.640 1.00 0.00 H new ATOM 0 HB2 GLU A 92 0.699 12.597 6.131 1.00 0.00 H new ATOM 0 HB3 GLU A 92 2.194 11.708 6.344 1.00 0.00 H new ATOM 0 HG2 GLU A 92 0.298 11.219 7.993 1.00 0.00 H new ATOM 0 HG3 GLU A 92 1.893 11.490 8.667 1.00 0.00 H new ATOM 1328 N LEU A 93 4.502 12.856 6.322 1.00 0.00 N ATOM 1329 CA LEU A 93 5.906 12.532 6.545 1.00 0.00 C ATOM 1330 C LEU A 93 6.791 13.752 6.311 1.00 0.00 C ATOM 1331 O LEU A 93 7.930 13.805 6.777 1.00 0.00 O ATOM 1332 CB LEU A 93 6.339 11.390 5.624 1.00 0.00 C ATOM 1333 CG LEU A 93 5.729 10.020 5.921 1.00 0.00 C ATOM 1334 CD1 LEU A 93 4.214 10.072 5.797 1.00 0.00 C ATOM 1335 CD2 LEU A 93 6.306 8.965 4.988 1.00 0.00 C ATOM 0 H LEU A 93 4.132 12.534 5.428 1.00 0.00 H new ATOM 0 HA LEU A 93 6.020 12.217 7.582 1.00 0.00 H new ATOM 0 HB2 LEU A 93 6.089 11.662 4.599 1.00 0.00 H new ATOM 0 HB3 LEU A 93 7.424 11.301 5.674 1.00 0.00 H new ATOM 0 HG LEU A 93 5.980 9.747 6.946 1.00 0.00 H new ATOM 0 HD11 LEU A 93 3.797 9.088 6.012 1.00 0.00 H new ATOM 0 HD12 LEU A 93 3.816 10.798 6.506 1.00 0.00 H new ATOM 0 HD13 LEU A 93 3.942 10.368 4.784 1.00 0.00 H new ATOM 0 HD21 LEU A 93 5.860 7.996 5.214 1.00 0.00 H new ATOM 0 HD22 LEU A 93 6.086 9.233 3.955 1.00 0.00 H new ATOM 0 HD23 LEU A 93 7.386 8.909 5.126 1.00 0.00 H new ATOM 1347 N CYS A 94 6.259 14.732 5.589 1.00 0.00 N ATOM 1348 CA CYS A 94 6.999 15.953 5.294 1.00 0.00 C ATOM 1349 C CYS A 94 8.301 15.637 4.565 1.00 0.00 C ATOM 1350 O CYS A 94 9.362 16.159 4.911 1.00 0.00 O ATOM 1351 CB CYS A 94 7.296 16.718 6.585 1.00 0.00 C ATOM 1352 SG CYS A 94 7.468 18.504 6.361 1.00 0.00 S ATOM 0 H CYS A 94 5.318 14.704 5.197 1.00 0.00 H new ATOM 0 HA CYS A 94 6.382 16.575 4.645 1.00 0.00 H new ATOM 0 HB2 CYS A 94 6.496 16.528 7.300 1.00 0.00 H new ATOM 0 HB3 CYS A 94 8.214 16.327 7.023 1.00 0.00 H new ATOM 0 HG CYS A 94 7.716 19.063 7.508 1.00 0.00 H new ATOM 1358 N LEU A 95 8.214 14.779 3.555 1.00 0.00 N ATOM 1359 CA LEU A 95 9.386 14.392 2.776 1.00 0.00 C ATOM 1360 C LEU A 95 9.786 15.499 1.806 1.00 0.00 C ATOM 1361 O LEU A 95 8.962 16.303 1.370 1.00 0.00 O ATOM 1362 CB LEU A 95 9.106 13.100 2.007 1.00 0.00 C ATOM 1363 CG LEU A 95 7.961 13.155 0.995 1.00 0.00 C ATOM 1364 CD1 LEU A 95 8.478 13.565 -0.375 1.00 0.00 C ATOM 1365 CD2 LEU A 95 7.251 11.812 0.919 1.00 0.00 C ATOM 0 H LEU A 95 7.344 14.338 3.256 1.00 0.00 H new ATOM 0 HA LEU A 95 10.212 14.225 3.467 1.00 0.00 H new ATOM 0 HB2 LEU A 95 10.015 12.810 1.481 1.00 0.00 H new ATOM 0 HB3 LEU A 95 8.889 12.312 2.728 1.00 0.00 H new ATOM 0 HG LEU A 95 7.243 13.904 1.329 1.00 0.00 H new ATOM 0 HD11 LEU A 95 7.649 13.599 -1.082 1.00 0.00 H new ATOM 0 HD12 LEU A 95 8.939 14.550 -0.310 1.00 0.00 H new ATOM 0 HD13 LEU A 95 9.217 12.840 -0.717 1.00 0.00 H new ATOM 0 HD21 LEU A 95 6.439 11.870 0.194 1.00 0.00 H new ATOM 0 HD22 LEU A 95 7.959 11.043 0.610 1.00 0.00 H new ATOM 0 HD23 LEU A 95 6.845 11.559 1.898 1.00 0.00 H new ATOM 1377 N PRO A 96 11.080 15.541 1.458 1.00 0.00 N ATOM 1378 CA PRO A 96 11.619 16.543 0.534 1.00 0.00 C ATOM 1379 C PRO A 96 11.139 16.328 -0.898 1.00 0.00 C ATOM 1380 O PRO A 96 10.534 15.309 -1.229 1.00 0.00 O ATOM 1381 CB PRO A 96 13.132 16.336 0.628 1.00 0.00 C ATOM 1382 CG PRO A 96 13.294 14.917 1.054 1.00 0.00 C ATOM 1383 CD PRO A 96 12.118 14.614 1.940 1.00 0.00 C ATOM 0 HA PRO A 96 11.297 17.552 0.793 1.00 0.00 H new ATOM 0 HB2 PRO A 96 13.617 16.519 -0.331 1.00 0.00 H new ATOM 0 HB3 PRO A 96 13.581 17.020 1.349 1.00 0.00 H new ATOM 0 HG2 PRO A 96 13.315 14.251 0.192 1.00 0.00 H new ATOM 0 HG3 PRO A 96 14.233 14.775 1.589 1.00 0.00 H new ATOM 0 HD2 PRO A 96 11.803 13.575 1.848 1.00 0.00 H new ATOM 0 HD3 PRO A 96 12.352 14.784 2.991 1.00 0.00 H new ATOM 1391 N PRO A 97 11.416 17.310 -1.769 1.00 0.00 N ATOM 1392 CA PRO A 97 11.022 17.250 -3.180 1.00 0.00 C ATOM 1393 C PRO A 97 11.813 16.204 -3.958 1.00 0.00 C ATOM 1394 O PRO A 97 11.452 15.846 -5.080 1.00 0.00 O ATOM 1395 CB PRO A 97 11.342 18.655 -3.697 1.00 0.00 C ATOM 1396 CG PRO A 97 12.414 19.157 -2.793 1.00 0.00 C ATOM 1397 CD PRO A 97 12.134 18.554 -1.444 1.00 0.00 C ATOM 0 HA PRO A 97 9.977 16.964 -3.300 1.00 0.00 H new ATOM 0 HB2 PRO A 97 11.679 18.628 -4.733 1.00 0.00 H new ATOM 0 HB3 PRO A 97 10.463 19.299 -3.664 1.00 0.00 H new ATOM 0 HG2 PRO A 97 13.399 18.863 -3.155 1.00 0.00 H new ATOM 0 HG3 PRO A 97 12.405 20.246 -2.743 1.00 0.00 H new ATOM 0 HD2 PRO A 97 13.054 18.355 -0.894 1.00 0.00 H new ATOM 0 HD3 PRO A 97 11.529 19.217 -0.825 1.00 0.00 H new ATOM 1405 N VAL A 98 12.892 15.715 -3.356 1.00 0.00 N ATOM 1406 CA VAL A 98 13.733 14.708 -3.992 1.00 0.00 C ATOM 1407 C VAL A 98 13.164 13.308 -3.787 1.00 0.00 C ATOM 1408 O VAL A 98 13.332 12.427 -4.630 1.00 0.00 O ATOM 1409 CB VAL A 98 15.172 14.751 -3.445 1.00 0.00 C ATOM 1410 CG1 VAL A 98 15.191 14.401 -1.965 1.00 0.00 C ATOM 1411 CG2 VAL A 98 16.070 13.811 -4.236 1.00 0.00 C ATOM 0 H VAL A 98 13.205 16.000 -2.428 1.00 0.00 H new ATOM 0 HA VAL A 98 13.751 14.937 -5.057 1.00 0.00 H new ATOM 0 HB VAL A 98 15.556 15.765 -3.559 1.00 0.00 H new ATOM 0 HG11 VAL A 98 16.216 14.436 -1.596 1.00 0.00 H new ATOM 0 HG12 VAL A 98 14.582 15.117 -1.414 1.00 0.00 H new ATOM 0 HG13 VAL A 98 14.789 13.398 -1.823 1.00 0.00 H new ATOM 0 HG21 VAL A 98 17.083 13.854 -3.836 1.00 0.00 H new ATOM 0 HG22 VAL A 98 15.691 12.792 -4.156 1.00 0.00 H new ATOM 0 HG23 VAL A 98 16.080 14.113 -5.283 1.00 0.00 H new ATOM 1421 N LYS A 99 12.490 13.109 -2.659 1.00 0.00 N ATOM 1422 CA LYS A 99 11.893 11.817 -2.342 1.00 0.00 C ATOM 1423 C LYS A 99 10.400 11.816 -2.653 1.00 0.00 C ATOM 1424 O LYS A 99 9.626 11.087 -2.030 1.00 0.00 O ATOM 1425 CB LYS A 99 12.118 11.477 -0.867 1.00 0.00 C ATOM 1426 CG LYS A 99 13.583 11.445 -0.466 1.00 0.00 C ATOM 1427 CD LYS A 99 14.355 10.402 -1.258 1.00 0.00 C ATOM 1428 CE LYS A 99 15.785 10.268 -0.757 1.00 0.00 C ATOM 1429 NZ LYS A 99 15.847 9.594 0.569 1.00 0.00 N ATOM 0 H LYS A 99 12.344 13.826 -1.949 1.00 0.00 H new ATOM 0 HA LYS A 99 12.375 11.060 -2.961 1.00 0.00 H new ATOM 0 HB2 LYS A 99 11.597 12.210 -0.251 1.00 0.00 H new ATOM 0 HB3 LYS A 99 11.671 10.506 -0.654 1.00 0.00 H new ATOM 0 HG2 LYS A 99 14.027 12.427 -0.627 1.00 0.00 H new ATOM 0 HG3 LYS A 99 13.665 11.229 0.599 1.00 0.00 H new ATOM 0 HD2 LYS A 99 13.850 9.439 -1.182 1.00 0.00 H new ATOM 0 HD3 LYS A 99 14.362 10.676 -2.313 1.00 0.00 H new ATOM 0 HE2 LYS A 99 16.372 9.701 -1.480 1.00 0.00 H new ATOM 0 HE3 LYS A 99 16.238 11.257 -0.683 1.00 0.00 H new ATOM 0 HZ1 LYS A 99 16.836 9.370 0.798 1.00 0.00 H new ATOM 0 HZ2 LYS A 99 15.457 10.225 1.298 1.00 0.00 H new ATOM 0 HZ3 LYS A 99 15.291 8.716 0.538 1.00 0.00 H new ATOM 1443 N LEU A 100 10.001 12.634 -3.620 1.00 0.00 N ATOM 1444 CA LEU A 100 8.600 12.726 -4.015 1.00 0.00 C ATOM 1445 C LEU A 100 8.128 11.425 -4.656 1.00 0.00 C ATOM 1446 O LEU A 100 7.065 10.903 -4.316 1.00 0.00 O ATOM 1447 CB LEU A 100 8.399 13.889 -4.988 1.00 0.00 C ATOM 1448 CG LEU A 100 8.063 15.241 -4.358 1.00 0.00 C ATOM 1449 CD1 LEU A 100 8.140 16.348 -5.398 1.00 0.00 C ATOM 1450 CD2 LEU A 100 6.683 15.203 -3.718 1.00 0.00 C ATOM 0 H LEU A 100 10.628 13.243 -4.145 1.00 0.00 H new ATOM 0 HA LEU A 100 8.007 12.904 -3.118 1.00 0.00 H new ATOM 0 HB2 LEU A 100 9.307 14.002 -5.580 1.00 0.00 H new ATOM 0 HB3 LEU A 100 7.599 13.624 -5.679 1.00 0.00 H new ATOM 0 HG LEU A 100 8.797 15.450 -3.580 1.00 0.00 H new ATOM 0 HD11 LEU A 100 7.898 17.303 -4.932 1.00 0.00 H new ATOM 0 HD12 LEU A 100 9.148 16.391 -5.810 1.00 0.00 H new ATOM 0 HD13 LEU A 100 7.429 16.145 -6.199 1.00 0.00 H new ATOM 0 HD21 LEU A 100 6.461 16.174 -3.275 1.00 0.00 H new ATOM 0 HD22 LEU A 100 5.936 14.971 -4.477 1.00 0.00 H new ATOM 0 HD23 LEU A 100 6.662 14.437 -2.943 1.00 0.00 H new ATOM 1462 N HIS A 101 8.926 10.904 -5.582 1.00 0.00 N ATOM 1463 CA HIS A 101 8.591 9.661 -6.269 1.00 0.00 C ATOM 1464 C HIS A 101 7.932 8.673 -5.312 1.00 0.00 C ATOM 1465 O HIS A 101 7.015 7.944 -5.692 1.00 0.00 O ATOM 1466 CB HIS A 101 9.847 9.038 -6.880 1.00 0.00 C ATOM 1467 CG HIS A 101 10.887 8.671 -5.867 1.00 0.00 C ATOM 1468 ND1 HIS A 101 11.883 9.535 -5.464 1.00 0.00 N ATOM 1469 CD2 HIS A 101 11.082 7.525 -5.173 1.00 0.00 C ATOM 1470 CE1 HIS A 101 12.646 8.937 -4.567 1.00 0.00 C ATOM 1471 NE2 HIS A 101 12.181 7.716 -4.372 1.00 0.00 N ATOM 0 H HIS A 101 9.809 11.323 -5.874 1.00 0.00 H new ATOM 0 HA HIS A 101 7.885 9.893 -7.066 1.00 0.00 H new ATOM 0 HB2 HIS A 101 9.565 8.146 -7.439 1.00 0.00 H new ATOM 0 HB3 HIS A 101 10.279 9.738 -7.595 1.00 0.00 H new ATOM 0 HD2 HIS A 101 10.484 6.628 -5.237 1.00 0.00 H new ATOM 0 HE1 HIS A 101 13.504 9.372 -4.076 1.00 0.00 H new ATOM 0 HE2 HIS A 101 12.574 7.027 -3.731 1.00 0.00 H new ATOM 1479 N CYS A 102 8.405 8.653 -4.071 1.00 0.00 N ATOM 1480 CA CYS A 102 7.863 7.752 -3.060 1.00 0.00 C ATOM 1481 C CYS A 102 6.427 8.131 -2.709 1.00 0.00 C ATOM 1482 O CYS A 102 5.511 7.320 -2.843 1.00 0.00 O ATOM 1483 CB CYS A 102 8.732 7.780 -1.802 1.00 0.00 C ATOM 1484 SG CYS A 102 10.413 7.164 -2.053 1.00 0.00 S ATOM 0 H CYS A 102 9.163 9.250 -3.741 1.00 0.00 H new ATOM 0 HA CYS A 102 7.864 6.742 -3.471 1.00 0.00 H new ATOM 0 HB2 CYS A 102 8.783 8.804 -1.431 1.00 0.00 H new ATOM 0 HB3 CYS A 102 8.250 7.184 -1.027 1.00 0.00 H new ATOM 0 HG CYS A 102 11.062 7.979 -2.831 1.00 0.00 H new ATOM 1490 N SER A 103 6.240 9.367 -2.258 1.00 0.00 N ATOM 1491 CA SER A 103 4.917 9.851 -1.882 1.00 0.00 C ATOM 1492 C SER A 103 3.842 9.250 -2.782 1.00 0.00 C ATOM 1493 O SER A 103 2.896 8.624 -2.305 1.00 0.00 O ATOM 1494 CB SER A 103 4.869 11.378 -1.961 1.00 0.00 C ATOM 1495 OG SER A 103 4.852 11.819 -3.308 1.00 0.00 O ATOM 0 H SER A 103 6.988 10.051 -2.144 1.00 0.00 H new ATOM 0 HA SER A 103 4.722 9.540 -0.856 1.00 0.00 H new ATOM 0 HB2 SER A 103 3.982 11.744 -1.444 1.00 0.00 H new ATOM 0 HB3 SER A 103 5.734 11.799 -1.448 1.00 0.00 H new ATOM 0 HG SER A 103 5.685 11.553 -3.750 1.00 0.00 H new ATOM 1501 N MET A 104 3.996 9.444 -4.088 1.00 0.00 N ATOM 1502 CA MET A 104 3.040 8.920 -5.056 1.00 0.00 C ATOM 1503 C MET A 104 3.111 7.398 -5.121 1.00 0.00 C ATOM 1504 O MET A 104 2.094 6.726 -5.298 1.00 0.00 O ATOM 1505 CB MET A 104 3.306 9.514 -6.441 1.00 0.00 C ATOM 1506 CG MET A 104 4.724 9.282 -6.939 1.00 0.00 C ATOM 1507 SD MET A 104 5.204 10.444 -8.232 1.00 0.00 S ATOM 1508 CE MET A 104 5.436 11.940 -7.274 1.00 0.00 C ATOM 0 H MET A 104 4.774 9.960 -4.500 1.00 0.00 H new ATOM 0 HA MET A 104 2.039 9.206 -4.732 1.00 0.00 H new ATOM 0 HB2 MET A 104 2.604 9.082 -7.154 1.00 0.00 H new ATOM 0 HB3 MET A 104 3.111 10.586 -6.411 1.00 0.00 H new ATOM 0 HG2 MET A 104 5.418 9.368 -6.103 1.00 0.00 H new ATOM 0 HG3 MET A 104 4.809 8.264 -7.320 1.00 0.00 H new ATOM 0 HE1 MET A 104 4.833 12.742 -7.700 1.00 0.00 H new ATOM 0 HE2 MET A 104 5.129 11.763 -6.243 1.00 0.00 H new ATOM 0 HE3 MET A 104 6.488 12.226 -7.295 1.00 0.00 H new ATOM 1518 N LEU A 105 4.317 6.859 -4.977 1.00 0.00 N ATOM 1519 CA LEU A 105 4.520 5.415 -5.020 1.00 0.00 C ATOM 1520 C LEU A 105 3.557 4.702 -4.076 1.00 0.00 C ATOM 1521 O LEU A 105 2.973 3.677 -4.427 1.00 0.00 O ATOM 1522 CB LEU A 105 5.964 5.073 -4.649 1.00 0.00 C ATOM 1523 CG LEU A 105 6.444 3.676 -5.043 1.00 0.00 C ATOM 1524 CD1 LEU A 105 6.780 3.625 -6.525 1.00 0.00 C ATOM 1525 CD2 LEU A 105 7.650 3.271 -4.207 1.00 0.00 C ATOM 0 H LEU A 105 5.169 7.400 -4.829 1.00 0.00 H new ATOM 0 HA LEU A 105 4.322 5.074 -6.036 1.00 0.00 H new ATOM 0 HB2 LEU A 105 6.622 5.807 -5.116 1.00 0.00 H new ATOM 0 HB3 LEU A 105 6.077 5.184 -3.571 1.00 0.00 H new ATOM 0 HG LEU A 105 5.638 2.968 -4.850 1.00 0.00 H new ATOM 0 HD11 LEU A 105 7.120 2.623 -6.787 1.00 0.00 H new ATOM 0 HD12 LEU A 105 5.892 3.871 -7.108 1.00 0.00 H new ATOM 0 HD13 LEU A 105 7.569 4.344 -6.744 1.00 0.00 H new ATOM 0 HD21 LEU A 105 7.978 2.274 -4.501 1.00 0.00 H new ATOM 0 HD22 LEU A 105 8.460 3.982 -4.369 1.00 0.00 H new ATOM 0 HD23 LEU A 105 7.376 3.267 -3.152 1.00 0.00 H new ATOM 1537 N ALA A 106 3.395 5.253 -2.877 1.00 0.00 N ATOM 1538 CA ALA A 106 2.500 4.672 -1.884 1.00 0.00 C ATOM 1539 C ALA A 106 1.064 4.631 -2.396 1.00 0.00 C ATOM 1540 O ALA A 106 0.344 3.659 -2.173 1.00 0.00 O ATOM 1541 CB ALA A 106 2.576 5.456 -0.582 1.00 0.00 C ATOM 0 H ALA A 106 3.872 6.101 -2.570 1.00 0.00 H new ATOM 0 HA ALA A 106 2.821 3.647 -1.698 1.00 0.00 H new ATOM 0 HB1 ALA A 106 1.903 5.011 0.150 1.00 0.00 H new ATOM 0 HB2 ALA A 106 3.597 5.429 -0.200 1.00 0.00 H new ATOM 0 HB3 ALA A 106 2.283 6.490 -0.763 1.00 0.00 H new ATOM 1547 N GLU A 107 0.655 5.693 -3.083 1.00 0.00 N ATOM 1548 CA GLU A 107 -0.696 5.778 -3.625 1.00 0.00 C ATOM 1549 C GLU A 107 -0.917 4.720 -4.702 1.00 0.00 C ATOM 1550 O GLU A 107 -1.847 3.918 -4.617 1.00 0.00 O ATOM 1551 CB GLU A 107 -0.951 7.172 -4.203 1.00 0.00 C ATOM 1552 CG GLU A 107 -2.307 7.313 -4.874 1.00 0.00 C ATOM 1553 CD GLU A 107 -2.378 8.515 -5.797 1.00 0.00 C ATOM 1554 OE1 GLU A 107 -2.433 9.653 -5.287 1.00 0.00 O ATOM 1555 OE2 GLU A 107 -2.380 8.315 -7.030 1.00 0.00 O ATOM 0 H GLU A 107 1.240 6.506 -3.277 1.00 0.00 H new ATOM 0 HA GLU A 107 -1.399 5.596 -2.812 1.00 0.00 H new ATOM 0 HB2 GLU A 107 -0.873 7.908 -3.403 1.00 0.00 H new ATOM 0 HB3 GLU A 107 -0.170 7.404 -4.927 1.00 0.00 H new ATOM 0 HG2 GLU A 107 -2.522 6.409 -5.443 1.00 0.00 H new ATOM 0 HG3 GLU A 107 -3.079 7.400 -4.110 1.00 0.00 H new ATOM 1562 N ASP A 108 -0.057 4.726 -5.714 1.00 0.00 N ATOM 1563 CA ASP A 108 -0.157 3.767 -6.809 1.00 0.00 C ATOM 1564 C ASP A 108 -0.234 2.340 -6.275 1.00 0.00 C ATOM 1565 O ASP A 108 -1.032 1.532 -6.749 1.00 0.00 O ATOM 1566 CB ASP A 108 1.040 3.909 -7.750 1.00 0.00 C ATOM 1567 CG ASP A 108 1.011 5.209 -8.531 1.00 0.00 C ATOM 1568 OD1 ASP A 108 -0.097 5.667 -8.881 1.00 0.00 O ATOM 1569 OD2 ASP A 108 2.097 5.768 -8.792 1.00 0.00 O ATOM 0 H ASP A 108 0.718 5.384 -5.799 1.00 0.00 H new ATOM 0 HA ASP A 108 -1.072 3.979 -7.363 1.00 0.00 H new ATOM 0 HB2 ASP A 108 1.962 3.857 -7.171 1.00 0.00 H new ATOM 0 HB3 ASP A 108 1.053 3.070 -8.446 1.00 0.00 H new ATOM 1574 N ALA A 109 0.602 2.037 -5.288 1.00 0.00 N ATOM 1575 CA ALA A 109 0.628 0.708 -4.690 1.00 0.00 C ATOM 1576 C ALA A 109 -0.740 0.330 -4.134 1.00 0.00 C ATOM 1577 O ALA A 109 -1.249 -0.759 -4.401 1.00 0.00 O ATOM 1578 CB ALA A 109 1.682 0.643 -3.594 1.00 0.00 C ATOM 0 H ALA A 109 1.270 2.694 -4.885 1.00 0.00 H new ATOM 0 HA ALA A 109 0.885 -0.009 -5.469 1.00 0.00 H new ATOM 0 HB1 ALA A 109 1.690 -0.355 -3.156 1.00 0.00 H new ATOM 0 HB2 ALA A 109 2.662 0.861 -4.018 1.00 0.00 H new ATOM 0 HB3 ALA A 109 1.449 1.376 -2.822 1.00 0.00 H new ATOM 1584 N ILE A 110 -1.330 1.234 -3.359 1.00 0.00 N ATOM 1585 CA ILE A 110 -2.640 0.994 -2.766 1.00 0.00 C ATOM 1586 C ILE A 110 -3.660 0.599 -3.829 1.00 0.00 C ATOM 1587 O ILE A 110 -4.180 -0.517 -3.822 1.00 0.00 O ATOM 1588 CB ILE A 110 -3.153 2.236 -2.014 1.00 0.00 C ATOM 1589 CG1 ILE A 110 -2.263 2.530 -0.805 1.00 0.00 C ATOM 1590 CG2 ILE A 110 -4.596 2.032 -1.579 1.00 0.00 C ATOM 1591 CD1 ILE A 110 -2.449 3.922 -0.242 1.00 0.00 C ATOM 0 H ILE A 110 -0.922 2.139 -3.127 1.00 0.00 H new ATOM 0 HA ILE A 110 -2.521 0.174 -2.058 1.00 0.00 H new ATOM 0 HB ILE A 110 -3.114 3.093 -2.687 1.00 0.00 H new ATOM 0 HG12 ILE A 110 -2.473 1.800 -0.023 1.00 0.00 H new ATOM 0 HG13 ILE A 110 -1.220 2.399 -1.092 1.00 0.00 H new ATOM 0 HG21 ILE A 110 -4.945 2.918 -1.049 1.00 0.00 H new ATOM 0 HG22 ILE A 110 -5.220 1.865 -2.457 1.00 0.00 H new ATOM 0 HG23 ILE A 110 -4.658 1.166 -0.919 1.00 0.00 H new ATOM 0 HD11 ILE A 110 -1.787 4.060 0.613 1.00 0.00 H new ATOM 0 HD12 ILE A 110 -2.211 4.659 -1.009 1.00 0.00 H new ATOM 0 HD13 ILE A 110 -3.484 4.051 0.076 1.00 0.00 H new ATOM 1603 N LYS A 111 -3.942 1.522 -4.742 1.00 0.00 N ATOM 1604 CA LYS A 111 -4.898 1.271 -5.814 1.00 0.00 C ATOM 1605 C LYS A 111 -4.666 -0.100 -6.440 1.00 0.00 C ATOM 1606 O LYS A 111 -5.571 -0.933 -6.486 1.00 0.00 O ATOM 1607 CB LYS A 111 -4.789 2.358 -6.887 1.00 0.00 C ATOM 1608 CG LYS A 111 -5.570 3.618 -6.557 1.00 0.00 C ATOM 1609 CD LYS A 111 -4.726 4.609 -5.773 1.00 0.00 C ATOM 1610 CE LYS A 111 -5.546 5.809 -5.326 1.00 0.00 C ATOM 1611 NZ LYS A 111 -5.520 6.905 -6.333 1.00 0.00 N ATOM 0 H LYS A 111 -3.522 2.451 -4.761 1.00 0.00 H new ATOM 0 HA LYS A 111 -5.900 1.290 -5.385 1.00 0.00 H new ATOM 0 HB2 LYS A 111 -3.739 2.617 -7.025 1.00 0.00 H new ATOM 0 HB3 LYS A 111 -5.146 1.957 -7.836 1.00 0.00 H new ATOM 0 HG2 LYS A 111 -5.917 4.084 -7.479 1.00 0.00 H new ATOM 0 HG3 LYS A 111 -6.456 3.357 -5.979 1.00 0.00 H new ATOM 0 HD2 LYS A 111 -4.298 4.114 -4.901 1.00 0.00 H new ATOM 0 HD3 LYS A 111 -3.892 4.946 -6.389 1.00 0.00 H new ATOM 0 HE2 LYS A 111 -6.577 5.500 -5.152 1.00 0.00 H new ATOM 0 HE3 LYS A 111 -5.160 6.179 -4.376 1.00 0.00 H new ATOM 0 HZ1 LYS A 111 -5.327 7.809 -5.857 1.00 0.00 H new ATOM 0 HZ2 LYS A 111 -4.774 6.716 -7.032 1.00 0.00 H new ATOM 0 HZ3 LYS A 111 -6.441 6.956 -6.814 1.00 0.00 H new ATOM 1625 N ALA A 112 -3.448 -0.329 -6.919 1.00 0.00 N ATOM 1626 CA ALA A 112 -3.096 -1.601 -7.539 1.00 0.00 C ATOM 1627 C ALA A 112 -3.642 -2.774 -6.731 1.00 0.00 C ATOM 1628 O ALA A 112 -4.258 -3.686 -7.282 1.00 0.00 O ATOM 1629 CB ALA A 112 -1.587 -1.716 -7.688 1.00 0.00 C ATOM 0 H ALA A 112 -2.688 0.350 -6.890 1.00 0.00 H new ATOM 0 HA ALA A 112 -3.550 -1.633 -8.529 1.00 0.00 H new ATOM 0 HB1 ALA A 112 -1.339 -2.670 -8.152 1.00 0.00 H new ATOM 0 HB2 ALA A 112 -1.220 -0.902 -8.313 1.00 0.00 H new ATOM 0 HB3 ALA A 112 -1.119 -1.658 -6.705 1.00 0.00 H new ATOM 1635 N ALA A 113 -3.410 -2.744 -5.423 1.00 0.00 N ATOM 1636 CA ALA A 113 -3.880 -3.804 -4.540 1.00 0.00 C ATOM 1637 C ALA A 113 -5.376 -4.042 -4.714 1.00 0.00 C ATOM 1638 O ALA A 113 -5.793 -5.070 -5.249 1.00 0.00 O ATOM 1639 CB ALA A 113 -3.563 -3.463 -3.091 1.00 0.00 C ATOM 0 H ALA A 113 -2.900 -1.997 -4.952 1.00 0.00 H new ATOM 0 HA ALA A 113 -3.359 -4.723 -4.808 1.00 0.00 H new ATOM 0 HB1 ALA A 113 -3.920 -4.263 -2.442 1.00 0.00 H new ATOM 0 HB2 ALA A 113 -2.485 -3.352 -2.971 1.00 0.00 H new ATOM 0 HB3 ALA A 113 -4.057 -2.530 -2.820 1.00 0.00 H new ATOM 1645 N LEU A 114 -6.179 -3.086 -4.259 1.00 0.00 N ATOM 1646 CA LEU A 114 -7.630 -3.192 -4.365 1.00 0.00 C ATOM 1647 C LEU A 114 -8.044 -3.620 -5.769 1.00 0.00 C ATOM 1648 O LEU A 114 -8.728 -4.628 -5.944 1.00 0.00 O ATOM 1649 CB LEU A 114 -8.285 -1.855 -4.013 1.00 0.00 C ATOM 1650 CG LEU A 114 -7.858 -1.227 -2.686 1.00 0.00 C ATOM 1651 CD1 LEU A 114 -7.528 -2.306 -1.666 1.00 0.00 C ATOM 1652 CD2 LEU A 114 -6.667 -0.303 -2.892 1.00 0.00 C ATOM 0 H LEU A 114 -5.850 -2.229 -3.814 1.00 0.00 H new ATOM 0 HA LEU A 114 -7.967 -3.952 -3.660 1.00 0.00 H new ATOM 0 HB2 LEU A 114 -8.070 -1.146 -4.813 1.00 0.00 H new ATOM 0 HB3 LEU A 114 -9.366 -1.997 -3.994 1.00 0.00 H new ATOM 0 HG LEU A 114 -8.689 -0.635 -2.302 1.00 0.00 H new ATOM 0 HD11 LEU A 114 -7.226 -1.840 -0.728 1.00 0.00 H new ATOM 0 HD12 LEU A 114 -8.407 -2.927 -1.496 1.00 0.00 H new ATOM 0 HD13 LEU A 114 -6.714 -2.925 -2.042 1.00 0.00 H new ATOM 0 HD21 LEU A 114 -6.377 0.135 -1.937 1.00 0.00 H new ATOM 0 HD22 LEU A 114 -5.831 -0.872 -3.299 1.00 0.00 H new ATOM 0 HD23 LEU A 114 -6.939 0.491 -3.588 1.00 0.00 H new ATOM 1664 N ALA A 115 -7.624 -2.848 -6.766 1.00 0.00 N ATOM 1665 CA ALA A 115 -7.948 -3.150 -8.154 1.00 0.00 C ATOM 1666 C ALA A 115 -7.725 -4.627 -8.461 1.00 0.00 C ATOM 1667 O ALA A 115 -8.678 -5.380 -8.663 1.00 0.00 O ATOM 1668 CB ALA A 115 -7.118 -2.284 -9.090 1.00 0.00 C ATOM 0 H ALA A 115 -7.059 -2.009 -6.638 1.00 0.00 H new ATOM 0 HA ALA A 115 -9.004 -2.928 -8.311 1.00 0.00 H new ATOM 0 HB1 ALA A 115 -7.370 -2.520 -10.124 1.00 0.00 H new ATOM 0 HB2 ALA A 115 -7.329 -1.232 -8.896 1.00 0.00 H new ATOM 0 HB3 ALA A 115 -6.059 -2.478 -8.922 1.00 0.00 H new ATOM 1674 N ASP A 116 -6.461 -5.035 -8.496 1.00 0.00 N ATOM 1675 CA ASP A 116 -6.113 -6.423 -8.778 1.00 0.00 C ATOM 1676 C ASP A 116 -7.108 -7.377 -8.124 1.00 0.00 C ATOM 1677 O ASP A 116 -7.594 -8.313 -8.758 1.00 0.00 O ATOM 1678 CB ASP A 116 -4.697 -6.726 -8.285 1.00 0.00 C ATOM 1679 CG ASP A 116 -4.301 -8.172 -8.515 1.00 0.00 C ATOM 1680 OD1 ASP A 116 -4.997 -9.068 -7.991 1.00 0.00 O ATOM 1681 OD2 ASP A 116 -3.297 -8.407 -9.219 1.00 0.00 O ATOM 0 H ASP A 116 -5.660 -4.424 -8.333 1.00 0.00 H new ATOM 0 HA ASP A 116 -6.153 -6.570 -9.857 1.00 0.00 H new ATOM 0 HB2 ASP A 116 -3.990 -6.073 -8.796 1.00 0.00 H new ATOM 0 HB3 ASP A 116 -4.629 -6.499 -7.221 1.00 0.00 H new ATOM 1686 N TYR A 117 -7.405 -7.133 -6.852 1.00 0.00 N ATOM 1687 CA TYR A 117 -8.339 -7.972 -6.111 1.00 0.00 C ATOM 1688 C TYR A 117 -9.713 -7.974 -6.774 1.00 0.00 C ATOM 1689 O TYR A 117 -10.309 -9.029 -6.991 1.00 0.00 O ATOM 1690 CB TYR A 117 -8.458 -7.485 -4.666 1.00 0.00 C ATOM 1691 CG TYR A 117 -9.817 -7.734 -4.053 1.00 0.00 C ATOM 1692 CD1 TYR A 117 -10.127 -8.959 -3.476 1.00 0.00 C ATOM 1693 CD2 TYR A 117 -10.792 -6.744 -4.051 1.00 0.00 C ATOM 1694 CE1 TYR A 117 -11.368 -9.191 -2.915 1.00 0.00 C ATOM 1695 CE2 TYR A 117 -12.036 -6.967 -3.492 1.00 0.00 C ATOM 1696 CZ TYR A 117 -12.319 -8.192 -2.926 1.00 0.00 C ATOM 1697 OH TYR A 117 -13.556 -8.419 -2.367 1.00 0.00 O ATOM 0 H TYR A 117 -7.012 -6.361 -6.313 1.00 0.00 H new ATOM 0 HA TYR A 117 -7.953 -8.991 -6.113 1.00 0.00 H new ATOM 0 HB2 TYR A 117 -7.699 -7.981 -4.061 1.00 0.00 H new ATOM 0 HB3 TYR A 117 -8.244 -6.417 -4.633 1.00 0.00 H new ATOM 0 HD1 TYR A 117 -9.385 -9.744 -3.466 1.00 0.00 H new ATOM 0 HD2 TYR A 117 -10.574 -5.784 -4.494 1.00 0.00 H new ATOM 0 HE1 TYR A 117 -11.592 -10.149 -2.470 1.00 0.00 H new ATOM 0 HE2 TYR A 117 -12.782 -6.186 -3.498 1.00 0.00 H new ATOM 0 HH TYR A 117 -14.108 -7.614 -2.456 1.00 0.00 H new ATOM 1707 N LYS A 118 -10.210 -6.784 -7.094 1.00 0.00 N ATOM 1708 CA LYS A 118 -11.513 -6.646 -7.734 1.00 0.00 C ATOM 1709 C LYS A 118 -11.533 -7.352 -9.086 1.00 0.00 C ATOM 1710 O LYS A 118 -12.491 -8.051 -9.418 1.00 0.00 O ATOM 1711 CB LYS A 118 -11.861 -5.166 -7.914 1.00 0.00 C ATOM 1712 CG LYS A 118 -11.932 -4.395 -6.608 1.00 0.00 C ATOM 1713 CD LYS A 118 -12.044 -2.899 -6.849 1.00 0.00 C ATOM 1714 CE LYS A 118 -11.566 -2.102 -5.645 1.00 0.00 C ATOM 1715 NZ LYS A 118 -12.181 -0.747 -5.596 1.00 0.00 N ATOM 0 H LYS A 118 -9.730 -5.901 -6.921 1.00 0.00 H new ATOM 0 HA LYS A 118 -12.258 -7.113 -7.090 1.00 0.00 H new ATOM 0 HB2 LYS A 118 -11.116 -4.702 -8.560 1.00 0.00 H new ATOM 0 HB3 LYS A 118 -12.820 -5.087 -8.426 1.00 0.00 H new ATOM 0 HG2 LYS A 118 -12.790 -4.736 -6.029 1.00 0.00 H new ATOM 0 HG3 LYS A 118 -11.043 -4.603 -6.013 1.00 0.00 H new ATOM 0 HD2 LYS A 118 -11.455 -2.626 -7.724 1.00 0.00 H new ATOM 0 HD3 LYS A 118 -13.080 -2.642 -7.069 1.00 0.00 H new ATOM 0 HE2 LYS A 118 -11.809 -2.644 -4.731 1.00 0.00 H new ATOM 0 HE3 LYS A 118 -10.481 -2.007 -5.680 1.00 0.00 H new ATOM 0 HZ1 LYS A 118 -11.829 -0.236 -4.761 1.00 0.00 H new ATOM 0 HZ2 LYS A 118 -11.928 -0.220 -6.456 1.00 0.00 H new ATOM 0 HZ3 LYS A 118 -13.215 -0.837 -5.536 1.00 0.00 H new ATOM 1729 N LEU A 119 -10.470 -7.166 -9.861 1.00 0.00 N ATOM 1730 CA LEU A 119 -10.364 -7.787 -11.177 1.00 0.00 C ATOM 1731 C LEU A 119 -10.669 -9.279 -11.100 1.00 0.00 C ATOM 1732 O LEU A 119 -11.335 -9.834 -11.975 1.00 0.00 O ATOM 1733 CB LEU A 119 -8.965 -7.570 -11.754 1.00 0.00 C ATOM 1734 CG LEU A 119 -8.446 -6.131 -11.733 1.00 0.00 C ATOM 1735 CD1 LEU A 119 -7.233 -5.988 -12.640 1.00 0.00 C ATOM 1736 CD2 LEU A 119 -9.543 -5.162 -12.148 1.00 0.00 C ATOM 0 H LEU A 119 -9.669 -6.590 -9.601 1.00 0.00 H new ATOM 0 HA LEU A 119 -11.097 -7.318 -11.833 1.00 0.00 H new ATOM 0 HB2 LEU A 119 -8.265 -8.196 -11.201 1.00 0.00 H new ATOM 0 HB3 LEU A 119 -8.961 -7.922 -12.786 1.00 0.00 H new ATOM 0 HG LEU A 119 -8.143 -5.889 -10.714 1.00 0.00 H new ATOM 0 HD11 LEU A 119 -6.878 -4.958 -12.612 1.00 0.00 H new ATOM 0 HD12 LEU A 119 -6.442 -6.654 -12.297 1.00 0.00 H new ATOM 0 HD13 LEU A 119 -7.510 -6.249 -13.661 1.00 0.00 H new ATOM 0 HD21 LEU A 119 -9.156 -4.143 -12.127 1.00 0.00 H new ATOM 0 HD22 LEU A 119 -9.878 -5.402 -13.157 1.00 0.00 H new ATOM 0 HD23 LEU A 119 -10.382 -5.245 -11.458 1.00 0.00 H new ATOM 1748 N LYS A 120 -10.180 -9.925 -10.048 1.00 0.00 N ATOM 1749 CA LYS A 120 -10.402 -11.353 -9.854 1.00 0.00 C ATOM 1750 C LYS A 120 -11.844 -11.628 -9.440 1.00 0.00 C ATOM 1751 O LYS A 120 -12.393 -12.688 -9.740 1.00 0.00 O ATOM 1752 CB LYS A 120 -9.443 -11.900 -8.794 1.00 0.00 C ATOM 1753 CG LYS A 120 -8.058 -11.280 -8.849 1.00 0.00 C ATOM 1754 CD LYS A 120 -6.993 -12.249 -8.362 1.00 0.00 C ATOM 1755 CE LYS A 120 -6.555 -13.198 -9.467 1.00 0.00 C ATOM 1756 NZ LYS A 120 -5.600 -14.226 -8.970 1.00 0.00 N ATOM 0 H LYS A 120 -9.626 -9.482 -9.315 1.00 0.00 H new ATOM 0 HA LYS A 120 -10.212 -11.857 -10.802 1.00 0.00 H new ATOM 0 HB2 LYS A 120 -9.870 -11.728 -7.806 1.00 0.00 H new ATOM 0 HB3 LYS A 120 -9.354 -12.979 -8.919 1.00 0.00 H new ATOM 0 HG2 LYS A 120 -7.835 -10.977 -9.872 1.00 0.00 H new ATOM 0 HG3 LYS A 120 -8.038 -10.378 -8.237 1.00 0.00 H new ATOM 0 HD2 LYS A 120 -6.131 -11.690 -7.998 1.00 0.00 H new ATOM 0 HD3 LYS A 120 -7.380 -12.823 -7.520 1.00 0.00 H new ATOM 0 HE2 LYS A 120 -7.430 -13.690 -9.891 1.00 0.00 H new ATOM 0 HE3 LYS A 120 -6.089 -12.628 -10.271 1.00 0.00 H new ATOM 0 HZ1 LYS A 120 -5.326 -14.853 -9.753 1.00 0.00 H new ATOM 0 HZ2 LYS A 120 -4.753 -13.758 -8.589 1.00 0.00 H new ATOM 0 HZ3 LYS A 120 -6.053 -14.787 -8.220 1.00 0.00 H new ATOM 1770 N GLN A 121 -12.451 -10.667 -8.752 1.00 0.00 N ATOM 1771 CA GLN A 121 -13.830 -10.806 -8.298 1.00 0.00 C ATOM 1772 C GLN A 121 -14.806 -10.604 -9.453 1.00 0.00 C ATOM 1773 O GLN A 121 -15.900 -11.167 -9.458 1.00 0.00 O ATOM 1774 CB GLN A 121 -14.126 -9.802 -7.183 1.00 0.00 C ATOM 1775 CG GLN A 121 -13.255 -9.986 -5.951 1.00 0.00 C ATOM 1776 CD GLN A 121 -13.342 -11.388 -5.379 1.00 0.00 C ATOM 1777 OE1 GLN A 121 -14.326 -11.747 -4.734 1.00 0.00 O ATOM 1778 NE2 GLN A 121 -12.308 -12.188 -5.614 1.00 0.00 N ATOM 0 H GLN A 121 -12.010 -9.783 -8.497 1.00 0.00 H new ATOM 0 HA GLN A 121 -13.958 -11.817 -7.910 1.00 0.00 H new ATOM 0 HB2 GLN A 121 -13.987 -8.792 -7.569 1.00 0.00 H new ATOM 0 HB3 GLN A 121 -15.173 -9.891 -6.894 1.00 0.00 H new ATOM 0 HG2 GLN A 121 -12.219 -9.766 -6.207 1.00 0.00 H new ATOM 0 HG3 GLN A 121 -13.554 -9.267 -5.188 1.00 0.00 H new ATOM 0 HE21 GLN A 121 -11.512 -11.848 -6.154 1.00 0.00 H new ATOM 0 HE22 GLN A 121 -12.310 -13.142 -5.254 1.00 0.00 H new