USER MOD reduce.3.24.130724 H: found=0, std=0, add=772, rem=0, adj=24 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 -97:sc= -0.0456 USER MOD Set 1.2: A 59 CYS SG : rot -142:sc= -1.61 USER MOD Set 1.3: A 101 HIS : no HE2:sc= 0.576 K(o=-8.7,f=-15!) USER MOD Set 1.4: A 102 CYS SG : rot 62:sc= -7.62! USER MOD Set 2.1: A 86 ASN : amide:sc= -0.232 X(o=0.22,f=0.13) USER MOD Set 2.2: A 103 SER OG : rot -70:sc= 0.457 USER MOD Set 3.1: A 61 SER OG : rot -90:sc= -0.0322 USER MOD Set 3.2: A 99 LYS NZ :NH3+ -119:sc= 0.036 (180deg=-0.0579) USER MOD Set 4.1: A 37 MET CE :methyl -179:sc= -4.81! (180deg=-4.44!) USER MOD Set 4.2: A 56 THR OG1 : rot -156:sc= -0.549 USER MOD Set 4.3: A 66 SER OG : rot 80:sc= -0.169 USER MOD Set 5.1: A 25 THR OG1 : rot 180:sc= 0 USER MOD Set 5.2: A 38 LYS NZ :NH3+ 180:sc= 0.153 (180deg=-0.00031) USER MOD Set 5.3: A 40 GLN : amide:sc= 0.149 K(o=0.3,f=-0.3) USER MOD Single : A 22 ASN : amide:sc= -0.409 X(o=-0.41,f=-0.047) 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 (180deg=-1.25) USER MOD Single : A 55 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 65 SER OG : rot 88:sc= -0.0197 USER MOD Single : A 67 SER OG : rot 180:sc= 0 USER MOD Single : A 70 THR OG1 : rot -160:sc= -0.0457 USER MOD Single : A 74 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 76 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 77 THR OG1 : rot 180:sc= -1 USER MOD Single : A 83 THR OG1 : rot -31:sc= 1.12 USER MOD Single : A 85 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 87 THR OG1 : rot 180:sc= 0 USER MOD Single : A 91 LYS NZ :NH3+ 161:sc= -0.0486 (180deg=-0.368) USER MOD Single : A 94 CYS SG : rot 32:sc= 0.886 USER MOD Single : A 104 MET CE :methyl -148:sc= -0.366 (180deg=-1.52!) USER MOD Single : A 111 LYS NZ :NH3+ -161:sc= 0.923 (180deg=0.388) USER MOD Single : A 117 TYR OH : rot 180:sc=-0.00048 USER MOD Single : A 118 LYS NZ :NH3+ -168:sc= 0 (180deg=-0.296) USER MOD Single : A 120 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 121 GLN : amide:sc= -0.11 X(o=-0.11,f=-0.11) USER MOD ----------------------------------------------------------------- ATOM 281 N ASN A 22 -9.074 -13.286 -2.424 1.00 0.00 N ATOM 282 CA ASN A 22 -9.634 -12.283 -1.525 1.00 0.00 C ATOM 283 C ASN A 22 -8.590 -11.229 -1.169 1.00 0.00 C ATOM 284 O ASN A 22 -8.924 -10.153 -0.671 1.00 0.00 O ATOM 285 CB ASN A 22 -10.160 -12.947 -0.251 1.00 0.00 C ATOM 286 CG ASN A 22 -9.173 -13.937 0.335 1.00 0.00 C ATOM 287 OD1 ASN A 22 -9.143 -15.105 -0.053 1.00 0.00 O ATOM 288 ND2 ASN A 22 -8.359 -13.474 1.276 1.00 0.00 N ATOM 0 HA ASN A 22 -10.461 -11.792 -2.038 1.00 0.00 H new ATOM 0 HB2 ASN A 22 -10.383 -12.179 0.490 1.00 0.00 H new ATOM 0 HB3 ASN A 22 -11.096 -13.459 -0.472 1.00 0.00 H new ATOM 0 HD21 ASN A 22 -7.674 -14.094 1.708 1.00 0.00 H new ATOM 0 HD22 ASN A 22 -8.419 -12.498 1.567 1.00 0.00 H new ATOM 295 N VAL A 23 -7.326 -11.545 -1.427 1.00 0.00 N ATOM 296 CA VAL A 23 -6.233 -10.625 -1.136 1.00 0.00 C ATOM 297 C VAL A 23 -5.487 -10.237 -2.407 1.00 0.00 C ATOM 298 O VAL A 23 -4.865 -11.077 -3.056 1.00 0.00 O ATOM 299 CB VAL A 23 -5.235 -11.237 -0.135 1.00 0.00 C ATOM 300 CG1 VAL A 23 -4.965 -12.695 -0.474 1.00 0.00 C ATOM 301 CG2 VAL A 23 -3.941 -10.438 -0.116 1.00 0.00 C ATOM 0 H VAL A 23 -7.033 -12.432 -1.837 1.00 0.00 H new ATOM 0 HA VAL A 23 -6.679 -9.734 -0.694 1.00 0.00 H new ATOM 0 HB VAL A 23 -5.675 -11.195 0.861 1.00 0.00 H new ATOM 0 HG11 VAL A 23 -4.258 -13.111 0.244 1.00 0.00 H new ATOM 0 HG12 VAL A 23 -5.898 -13.257 -0.431 1.00 0.00 H new ATOM 0 HG13 VAL A 23 -4.546 -12.764 -1.478 1.00 0.00 H new ATOM 0 HG21 VAL A 23 -3.248 -10.885 0.597 1.00 0.00 H new ATOM 0 HG22 VAL A 23 -3.494 -10.445 -1.110 1.00 0.00 H new ATOM 0 HG23 VAL A 23 -4.152 -9.410 0.179 1.00 0.00 H new ATOM 311 N GLY A 24 -5.553 -8.956 -2.759 1.00 0.00 N ATOM 312 CA GLY A 24 -4.879 -8.479 -3.952 1.00 0.00 C ATOM 313 C GLY A 24 -3.410 -8.189 -3.712 1.00 0.00 C ATOM 314 O GLY A 24 -2.965 -8.107 -2.567 1.00 0.00 O ATOM 0 H GLY A 24 -6.061 -8.241 -2.239 1.00 0.00 H new ATOM 0 HA2 GLY A 24 -4.975 -9.224 -4.742 1.00 0.00 H new ATOM 0 HA3 GLY A 24 -5.372 -7.574 -4.306 1.00 0.00 H new ATOM 318 N THR A 25 -2.654 -8.035 -4.794 1.00 0.00 N ATOM 319 CA THR A 25 -1.227 -7.755 -4.696 1.00 0.00 C ATOM 320 C THR A 25 -0.835 -6.580 -5.584 1.00 0.00 C ATOM 321 O THR A 25 -0.822 -6.692 -6.809 1.00 0.00 O ATOM 322 CB THR A 25 -0.386 -8.984 -5.090 1.00 0.00 C ATOM 323 OG1 THR A 25 -0.753 -10.108 -4.281 1.00 0.00 O ATOM 324 CG2 THR A 25 1.099 -8.699 -4.925 1.00 0.00 C ATOM 0 H THR A 25 -3.006 -8.099 -5.749 1.00 0.00 H new ATOM 0 HA THR A 25 -1.025 -7.503 -3.655 1.00 0.00 H new ATOM 0 HB THR A 25 -0.582 -9.210 -6.138 1.00 0.00 H new ATOM 0 HG1 THR A 25 -0.215 -10.886 -4.538 1.00 0.00 H new ATOM 0 HG21 THR A 25 1.673 -9.581 -5.209 1.00 0.00 H new ATOM 0 HG22 THR A 25 1.382 -7.861 -5.563 1.00 0.00 H new ATOM 0 HG23 THR A 25 1.308 -8.450 -3.885 1.00 0.00 H new ATOM 332 N GLY A 26 -0.514 -5.452 -4.957 1.00 0.00 N ATOM 333 CA GLY A 26 -0.125 -4.272 -5.707 1.00 0.00 C ATOM 334 C GLY A 26 1.332 -3.907 -5.498 1.00 0.00 C ATOM 335 O GLY A 26 1.716 -3.444 -4.424 1.00 0.00 O ATOM 0 H GLY A 26 -0.516 -5.335 -3.944 1.00 0.00 H new ATOM 0 HA2 GLY A 26 -0.305 -4.444 -6.768 1.00 0.00 H new ATOM 0 HA3 GLY A 26 -0.753 -3.432 -5.409 1.00 0.00 H new ATOM 339 N LEU A 27 2.146 -4.117 -6.527 1.00 0.00 N ATOM 340 CA LEU A 27 3.569 -3.809 -6.452 1.00 0.00 C ATOM 341 C LEU A 27 3.919 -2.627 -7.351 1.00 0.00 C ATOM 342 O LEU A 27 3.599 -2.622 -8.540 1.00 0.00 O ATOM 343 CB LEU A 27 4.398 -5.031 -6.851 1.00 0.00 C ATOM 344 CG LEU A 27 5.862 -4.764 -7.202 1.00 0.00 C ATOM 345 CD1 LEU A 27 6.575 -4.088 -6.041 1.00 0.00 C ATOM 346 CD2 LEU A 27 6.565 -6.059 -7.580 1.00 0.00 C ATOM 0 H LEU A 27 1.844 -4.499 -7.423 1.00 0.00 H new ATOM 0 HA LEU A 27 3.803 -3.540 -5.422 1.00 0.00 H new ATOM 0 HB2 LEU A 27 4.367 -5.749 -6.032 1.00 0.00 H new ATOM 0 HB3 LEU A 27 3.920 -5.505 -7.709 1.00 0.00 H new ATOM 0 HG LEU A 27 5.893 -4.093 -8.061 1.00 0.00 H new ATOM 0 HD11 LEU A 27 7.616 -3.906 -6.309 1.00 0.00 H new ATOM 0 HD12 LEU A 27 6.087 -3.140 -5.817 1.00 0.00 H new ATOM 0 HD13 LEU A 27 6.534 -4.733 -5.164 1.00 0.00 H new ATOM 0 HD21 LEU A 27 7.606 -5.849 -7.827 1.00 0.00 H new ATOM 0 HD22 LEU A 27 6.524 -6.754 -6.741 1.00 0.00 H new ATOM 0 HD23 LEU A 27 6.070 -6.503 -8.444 1.00 0.00 H new ATOM 358 N VAL A 28 4.579 -1.627 -6.775 1.00 0.00 N ATOM 359 CA VAL A 28 4.976 -0.441 -7.525 1.00 0.00 C ATOM 360 C VAL A 28 6.337 0.069 -7.067 1.00 0.00 C ATOM 361 O VAL A 28 6.533 0.377 -5.892 1.00 0.00 O ATOM 362 CB VAL A 28 3.940 0.689 -7.377 1.00 0.00 C ATOM 363 CG1 VAL A 28 2.611 0.280 -7.995 1.00 0.00 C ATOM 364 CG2 VAL A 28 3.764 1.061 -5.912 1.00 0.00 C ATOM 0 H VAL A 28 4.850 -1.615 -5.792 1.00 0.00 H new ATOM 0 HA VAL A 28 5.036 -0.734 -8.573 1.00 0.00 H new ATOM 0 HB VAL A 28 4.306 1.566 -7.910 1.00 0.00 H new ATOM 0 HG11 VAL A 28 1.892 1.091 -7.881 1.00 0.00 H new ATOM 0 HG12 VAL A 28 2.753 0.067 -9.055 1.00 0.00 H new ATOM 0 HG13 VAL A 28 2.235 -0.612 -7.493 1.00 0.00 H new ATOM 0 HG21 VAL A 28 3.029 1.861 -5.826 1.00 0.00 H new ATOM 0 HG22 VAL A 28 3.420 0.190 -5.354 1.00 0.00 H new ATOM 0 HG23 VAL A 28 4.717 1.399 -5.505 1.00 0.00 H new ATOM 374 N GLY A 29 7.277 0.156 -8.004 1.00 0.00 N ATOM 375 CA GLY A 29 8.609 0.630 -7.677 1.00 0.00 C ATOM 376 C GLY A 29 8.985 1.879 -8.448 1.00 0.00 C ATOM 377 O GLY A 29 8.237 2.331 -9.315 1.00 0.00 O ATOM 0 H GLY A 29 7.139 -0.093 -8.983 1.00 0.00 H new ATOM 0 HA2 GLY A 29 8.666 0.836 -6.608 1.00 0.00 H new ATOM 0 HA3 GLY A 29 9.333 -0.156 -7.889 1.00 0.00 H new ATOM 381 N ALA A 30 10.147 2.441 -8.132 1.00 0.00 N ATOM 382 CA ALA A 30 10.622 3.645 -8.801 1.00 0.00 C ATOM 383 C ALA A 30 11.722 3.318 -9.805 1.00 0.00 C ATOM 384 O ALA A 30 12.674 2.596 -9.506 1.00 0.00 O ATOM 385 CB ALA A 30 11.120 4.656 -7.779 1.00 0.00 C ATOM 0 H ALA A 30 10.777 2.081 -7.416 1.00 0.00 H new ATOM 0 HA ALA A 30 9.786 4.080 -9.348 1.00 0.00 H new ATOM 0 HB1 ALA A 30 11.472 5.550 -8.293 1.00 0.00 H new ATOM 0 HB2 ALA A 30 10.306 4.922 -7.104 1.00 0.00 H new ATOM 0 HB3 ALA A 30 11.939 4.221 -7.206 1.00 0.00 H new ATOM 391 N PRO A 31 11.592 3.861 -11.025 1.00 0.00 N ATOM 392 CA PRO A 31 12.567 3.641 -12.097 1.00 0.00 C ATOM 393 C PRO A 31 13.897 4.334 -11.823 1.00 0.00 C ATOM 394 O PRO A 31 14.962 3.737 -11.977 1.00 0.00 O ATOM 395 CB PRO A 31 11.888 4.252 -13.325 1.00 0.00 C ATOM 396 CG PRO A 31 10.955 5.274 -12.772 1.00 0.00 C ATOM 397 CD PRO A 31 10.484 4.732 -11.451 1.00 0.00 C ATOM 0 HA PRO A 31 12.816 2.586 -12.211 1.00 0.00 H new ATOM 0 HB2 PRO A 31 12.618 4.704 -13.997 1.00 0.00 H new ATOM 0 HB3 PRO A 31 11.352 3.496 -13.899 1.00 0.00 H new ATOM 0 HG2 PRO A 31 11.458 6.233 -12.644 1.00 0.00 H new ATOM 0 HG3 PRO A 31 10.116 5.442 -13.447 1.00 0.00 H new ATOM 0 HD2 PRO A 31 10.301 5.530 -10.732 1.00 0.00 H new ATOM 0 HD3 PRO A 31 9.552 4.176 -11.554 1.00 0.00 H new ATOM 405 N ALA A 32 13.828 5.597 -11.416 1.00 0.00 N ATOM 406 CA ALA A 32 15.027 6.371 -11.118 1.00 0.00 C ATOM 407 C ALA A 32 15.681 5.893 -9.826 1.00 0.00 C ATOM 408 O ALA A 32 16.774 5.326 -9.844 1.00 0.00 O ATOM 409 CB ALA A 32 14.691 7.851 -11.025 1.00 0.00 C ATOM 0 H ALA A 32 12.954 6.106 -11.285 1.00 0.00 H new ATOM 0 HA ALA A 32 15.737 6.222 -11.931 1.00 0.00 H new ATOM 0 HB1 ALA A 32 15.596 8.416 -10.802 1.00 0.00 H new ATOM 0 HB2 ALA A 32 14.276 8.190 -11.974 1.00 0.00 H new ATOM 0 HB3 ALA A 32 13.960 8.009 -10.232 1.00 0.00 H new ATOM 415 N CYS A 33 15.007 6.127 -8.705 1.00 0.00 N ATOM 416 CA CYS A 33 15.523 5.722 -7.403 1.00 0.00 C ATOM 417 C CYS A 33 15.792 4.220 -7.368 1.00 0.00 C ATOM 418 O CYS A 33 16.743 3.764 -6.734 1.00 0.00 O ATOM 419 CB CYS A 33 14.533 6.099 -6.299 1.00 0.00 C ATOM 420 SG CYS A 33 15.261 6.139 -4.630 1.00 0.00 S ATOM 0 H CYS A 33 14.102 6.595 -8.672 1.00 0.00 H new ATOM 0 HA CYS A 33 16.463 6.246 -7.234 1.00 0.00 H new ATOM 0 HB2 CYS A 33 14.111 7.079 -6.523 1.00 0.00 H new ATOM 0 HB3 CYS A 33 13.708 5.387 -6.307 1.00 0.00 H new ATOM 0 HG CYS A 33 15.027 5.011 -4.028 1.00 0.00 H new ATOM 425 N GLY A 34 14.948 3.456 -8.055 1.00 0.00 N ATOM 426 CA GLY A 34 15.112 2.015 -8.089 1.00 0.00 C ATOM 427 C GLY A 34 14.616 1.344 -6.823 1.00 0.00 C ATOM 428 O GLY A 34 15.363 0.625 -6.160 1.00 0.00 O ATOM 0 H GLY A 34 14.154 3.810 -8.588 1.00 0.00 H new ATOM 0 HA2 GLY A 34 14.572 1.611 -8.946 1.00 0.00 H new ATOM 0 HA3 GLY A 34 16.165 1.776 -8.234 1.00 0.00 H new ATOM 432 N ASP A 35 13.353 1.581 -6.487 1.00 0.00 N ATOM 433 CA ASP A 35 12.758 0.995 -5.291 1.00 0.00 C ATOM 434 C ASP A 35 11.713 -0.053 -5.662 1.00 0.00 C ATOM 435 O ASP A 35 11.212 -0.075 -6.786 1.00 0.00 O ATOM 436 CB ASP A 35 12.121 2.084 -4.426 1.00 0.00 C ATOM 437 CG ASP A 35 12.890 3.389 -4.479 1.00 0.00 C ATOM 438 OD1 ASP A 35 14.082 3.361 -4.854 1.00 0.00 O ATOM 439 OD2 ASP A 35 12.302 4.439 -4.145 1.00 0.00 O ATOM 0 H ASP A 35 12.722 2.174 -7.025 1.00 0.00 H new ATOM 0 HA ASP A 35 13.550 0.508 -4.723 1.00 0.00 H new ATOM 0 HB2 ASP A 35 11.097 2.255 -4.758 1.00 0.00 H new ATOM 0 HB3 ASP A 35 12.068 1.739 -3.393 1.00 0.00 H new ATOM 444 N VAL A 36 11.390 -0.922 -4.709 1.00 0.00 N ATOM 445 CA VAL A 36 10.406 -1.973 -4.935 1.00 0.00 C ATOM 446 C VAL A 36 9.435 -2.079 -3.764 1.00 0.00 C ATOM 447 O VAL A 36 9.732 -2.717 -2.754 1.00 0.00 O ATOM 448 CB VAL A 36 11.083 -3.340 -5.150 1.00 0.00 C ATOM 449 CG1 VAL A 36 10.043 -4.413 -5.433 1.00 0.00 C ATOM 450 CG2 VAL A 36 12.098 -3.259 -6.280 1.00 0.00 C ATOM 0 H VAL A 36 11.796 -0.918 -3.773 1.00 0.00 H new ATOM 0 HA VAL A 36 9.856 -1.702 -5.836 1.00 0.00 H new ATOM 0 HB VAL A 36 11.611 -3.612 -4.236 1.00 0.00 H new ATOM 0 HG11 VAL A 36 10.540 -5.371 -5.582 1.00 0.00 H new ATOM 0 HG12 VAL A 36 9.358 -4.487 -4.589 1.00 0.00 H new ATOM 0 HG13 VAL A 36 9.484 -4.150 -6.331 1.00 0.00 H new ATOM 0 HG21 VAL A 36 12.567 -4.233 -6.418 1.00 0.00 H new ATOM 0 HG22 VAL A 36 11.595 -2.964 -7.201 1.00 0.00 H new ATOM 0 HG23 VAL A 36 12.861 -2.521 -6.032 1.00 0.00 H new ATOM 460 N MET A 37 8.274 -1.448 -3.906 1.00 0.00 N ATOM 461 CA MET A 37 7.259 -1.472 -2.860 1.00 0.00 C ATOM 462 C MET A 37 6.127 -2.429 -3.223 1.00 0.00 C ATOM 463 O MET A 37 5.270 -2.109 -4.046 1.00 0.00 O ATOM 464 CB MET A 37 6.700 -0.067 -2.630 1.00 0.00 C ATOM 465 CG MET A 37 5.976 0.089 -1.302 1.00 0.00 C ATOM 466 SD MET A 37 4.221 -0.307 -1.417 1.00 0.00 S ATOM 467 CE MET A 37 3.488 1.255 -0.938 1.00 0.00 C ATOM 0 H MET A 37 8.013 -0.914 -4.735 1.00 0.00 H new ATOM 0 HA MET A 37 7.728 -1.824 -1.941 1.00 0.00 H new ATOM 0 HB2 MET A 37 7.518 0.652 -2.675 1.00 0.00 H new ATOM 0 HB3 MET A 37 6.013 0.179 -3.440 1.00 0.00 H new ATOM 0 HG2 MET A 37 6.443 -0.559 -0.560 1.00 0.00 H new ATOM 0 HG3 MET A 37 6.091 1.114 -0.948 1.00 0.00 H new ATOM 0 HE1 MET A 37 2.402 1.164 -0.943 1.00 0.00 H new ATOM 0 HE2 MET A 37 3.825 1.523 0.063 1.00 0.00 H new ATOM 0 HE3 MET A 37 3.791 2.030 -1.642 1.00 0.00 H new ATOM 477 N LYS A 38 6.131 -3.604 -2.603 1.00 0.00 N ATOM 478 CA LYS A 38 5.105 -4.608 -2.859 1.00 0.00 C ATOM 479 C LYS A 38 4.036 -4.583 -1.772 1.00 0.00 C ATOM 480 O LYS A 38 4.248 -5.084 -0.667 1.00 0.00 O ATOM 481 CB LYS A 38 5.733 -6.001 -2.939 1.00 0.00 C ATOM 482 CG LYS A 38 4.775 -7.074 -3.425 1.00 0.00 C ATOM 483 CD LYS A 38 5.518 -8.268 -4.000 1.00 0.00 C ATOM 484 CE LYS A 38 4.557 -9.338 -4.495 1.00 0.00 C ATOM 485 NZ LYS A 38 3.936 -10.089 -3.370 1.00 0.00 N ATOM 0 H LYS A 38 6.834 -3.885 -1.919 1.00 0.00 H new ATOM 0 HA LYS A 38 4.634 -4.373 -3.813 1.00 0.00 H new ATOM 0 HB2 LYS A 38 6.593 -5.964 -3.607 1.00 0.00 H new ATOM 0 HB3 LYS A 38 6.107 -6.279 -1.953 1.00 0.00 H new ATOM 0 HG2 LYS A 38 4.144 -7.401 -2.598 1.00 0.00 H new ATOM 0 HG3 LYS A 38 4.114 -6.656 -4.184 1.00 0.00 H new ATOM 0 HD2 LYS A 38 6.154 -7.940 -4.822 1.00 0.00 H new ATOM 0 HD3 LYS A 38 6.174 -8.691 -3.239 1.00 0.00 H new ATOM 0 HE2 LYS A 38 3.776 -8.874 -5.097 1.00 0.00 H new ATOM 0 HE3 LYS A 38 5.090 -10.032 -5.145 1.00 0.00 H new ATOM 0 HZ1 LYS A 38 3.288 -10.809 -3.749 1.00 0.00 H new ATOM 0 HZ2 LYS A 38 4.679 -10.553 -2.810 1.00 0.00 H new ATOM 0 HZ3 LYS A 38 3.406 -9.431 -2.764 1.00 0.00 H new ATOM 499 N LEU A 39 2.886 -3.999 -2.092 1.00 0.00 N ATOM 500 CA LEU A 39 1.782 -3.910 -1.142 1.00 0.00 C ATOM 501 C LEU A 39 0.814 -5.075 -1.322 1.00 0.00 C ATOM 502 O LEU A 39 0.668 -5.608 -2.422 1.00 0.00 O ATOM 503 CB LEU A 39 1.040 -2.583 -1.316 1.00 0.00 C ATOM 504 CG LEU A 39 0.312 -2.056 -0.079 1.00 0.00 C ATOM 505 CD1 LEU A 39 1.296 -1.414 0.887 1.00 0.00 C ATOM 506 CD2 LEU A 39 -0.769 -1.062 -0.481 1.00 0.00 C ATOM 0 H LEU A 39 2.694 -3.580 -3.002 1.00 0.00 H new ATOM 0 HA LEU A 39 2.196 -3.958 -0.135 1.00 0.00 H new ATOM 0 HB2 LEU A 39 1.757 -1.829 -1.641 1.00 0.00 H new ATOM 0 HB3 LEU A 39 0.313 -2.699 -2.120 1.00 0.00 H new ATOM 0 HG LEU A 39 -0.164 -2.897 0.425 1.00 0.00 H new ATOM 0 HD11 LEU A 39 0.759 -1.045 1.761 1.00 0.00 H new ATOM 0 HD12 LEU A 39 2.034 -2.153 1.199 1.00 0.00 H new ATOM 0 HD13 LEU A 39 1.801 -0.583 0.394 1.00 0.00 H new ATOM 0 HD21 LEU A 39 -1.277 -0.697 0.411 1.00 0.00 H new ATOM 0 HD22 LEU A 39 -0.314 -0.223 -1.008 1.00 0.00 H new ATOM 0 HD23 LEU A 39 -1.490 -1.553 -1.134 1.00 0.00 H new ATOM 518 N GLN A 40 0.154 -5.462 -0.236 1.00 0.00 N ATOM 519 CA GLN A 40 -0.801 -6.563 -0.275 1.00 0.00 C ATOM 520 C GLN A 40 -1.845 -6.417 0.827 1.00 0.00 C ATOM 521 O GLN A 40 -1.508 -6.359 2.011 1.00 0.00 O ATOM 522 CB GLN A 40 -0.075 -7.902 -0.132 1.00 0.00 C ATOM 523 CG GLN A 40 0.428 -8.465 -1.452 1.00 0.00 C ATOM 524 CD GLN A 40 1.179 -9.770 -1.280 1.00 0.00 C ATOM 525 OE1 GLN A 40 2.346 -9.782 -0.888 1.00 0.00 O ATOM 526 NE2 GLN A 40 0.512 -10.880 -1.574 1.00 0.00 N ATOM 0 H GLN A 40 0.263 -5.030 0.682 1.00 0.00 H new ATOM 0 HA GLN A 40 -1.310 -6.535 -1.239 1.00 0.00 H new ATOM 0 HB2 GLN A 40 0.770 -7.777 0.546 1.00 0.00 H new ATOM 0 HB3 GLN A 40 -0.749 -8.624 0.328 1.00 0.00 H new ATOM 0 HG2 GLN A 40 -0.418 -8.622 -2.122 1.00 0.00 H new ATOM 0 HG3 GLN A 40 1.081 -7.734 -1.929 1.00 0.00 H new ATOM 0 HE21 GLN A 40 -0.454 -10.824 -1.896 1.00 0.00 H new ATOM 0 HE22 GLN A 40 0.966 -11.788 -1.478 1.00 0.00 H new ATOM 535 N ILE A 41 -3.112 -6.358 0.432 1.00 0.00 N ATOM 536 CA ILE A 41 -4.204 -6.220 1.386 1.00 0.00 C ATOM 537 C ILE A 41 -5.211 -7.355 1.238 1.00 0.00 C ATOM 538 O ILE A 41 -5.541 -7.764 0.125 1.00 0.00 O ATOM 539 CB ILE A 41 -4.935 -4.875 1.215 1.00 0.00 C ATOM 540 CG1 ILE A 41 -5.585 -4.796 -0.168 1.00 0.00 C ATOM 541 CG2 ILE A 41 -3.969 -3.717 1.419 1.00 0.00 C ATOM 542 CD1 ILE A 41 -6.999 -5.334 -0.203 1.00 0.00 C ATOM 0 H ILE A 41 -3.407 -6.404 -0.543 1.00 0.00 H new ATOM 0 HA ILE A 41 -3.760 -6.259 2.381 1.00 0.00 H new ATOM 0 HB ILE A 41 -5.719 -4.806 1.969 1.00 0.00 H new ATOM 0 HG12 ILE A 41 -5.592 -3.757 -0.499 1.00 0.00 H new ATOM 0 HG13 ILE A 41 -4.975 -5.353 -0.879 1.00 0.00 H new ATOM 0 HG21 ILE A 41 -4.501 -2.774 1.295 1.00 0.00 H new ATOM 0 HG22 ILE A 41 -3.548 -3.767 2.423 1.00 0.00 H new ATOM 0 HG23 ILE A 41 -3.165 -3.780 0.685 1.00 0.00 H new ATOM 0 HD11 ILE A 41 -7.397 -5.246 -1.214 1.00 0.00 H new ATOM 0 HD12 ILE A 41 -6.997 -6.382 0.097 1.00 0.00 H new ATOM 0 HD13 ILE A 41 -7.623 -4.762 0.483 1.00 0.00 H new ATOM 554 N GLN A 42 -5.698 -7.859 2.368 1.00 0.00 N ATOM 555 CA GLN A 42 -6.668 -8.947 2.363 1.00 0.00 C ATOM 556 C GLN A 42 -8.082 -8.415 2.572 1.00 0.00 C ATOM 557 O GLN A 42 -8.395 -7.849 3.620 1.00 0.00 O ATOM 558 CB GLN A 42 -6.328 -9.967 3.451 1.00 0.00 C ATOM 559 CG GLN A 42 -7.078 -11.282 3.308 1.00 0.00 C ATOM 560 CD GLN A 42 -7.061 -12.104 4.581 1.00 0.00 C ATOM 561 OE1 GLN A 42 -8.012 -12.081 5.362 1.00 0.00 O ATOM 562 NE2 GLN A 42 -5.976 -12.839 4.797 1.00 0.00 N ATOM 0 H GLN A 42 -5.437 -7.531 3.298 1.00 0.00 H new ATOM 0 HA GLN A 42 -6.623 -9.436 1.390 1.00 0.00 H new ATOM 0 HB2 GLN A 42 -5.256 -10.165 3.429 1.00 0.00 H new ATOM 0 HB3 GLN A 42 -6.553 -9.534 4.426 1.00 0.00 H new ATOM 0 HG2 GLN A 42 -8.111 -11.078 3.025 1.00 0.00 H new ATOM 0 HG3 GLN A 42 -6.635 -11.863 2.499 1.00 0.00 H new ATOM 0 HE21 GLN A 42 -5.210 -12.829 4.123 1.00 0.00 H new ATOM 0 HE22 GLN A 42 -5.908 -13.414 5.637 1.00 0.00 H new ATOM 571 N VAL A 43 -8.934 -8.602 1.569 1.00 0.00 N ATOM 572 CA VAL A 43 -10.316 -8.142 1.643 1.00 0.00 C ATOM 573 C VAL A 43 -11.240 -9.255 2.124 1.00 0.00 C ATOM 574 O VAL A 43 -11.139 -10.396 1.675 1.00 0.00 O ATOM 575 CB VAL A 43 -10.811 -7.631 0.277 1.00 0.00 C ATOM 576 CG1 VAL A 43 -12.278 -7.235 0.355 1.00 0.00 C ATOM 577 CG2 VAL A 43 -9.960 -6.463 -0.196 1.00 0.00 C ATOM 0 H VAL A 43 -8.691 -9.069 0.695 1.00 0.00 H new ATOM 0 HA VAL A 43 -10.339 -7.321 2.359 1.00 0.00 H new ATOM 0 HB VAL A 43 -10.715 -8.438 -0.449 1.00 0.00 H new ATOM 0 HG11 VAL A 43 -12.610 -6.876 -0.619 1.00 0.00 H new ATOM 0 HG12 VAL A 43 -12.874 -8.100 0.646 1.00 0.00 H new ATOM 0 HG13 VAL A 43 -12.403 -6.444 1.095 1.00 0.00 H new ATOM 0 HG21 VAL A 43 -10.324 -6.115 -1.163 1.00 0.00 H new ATOM 0 HG22 VAL A 43 -10.022 -5.651 0.529 1.00 0.00 H new ATOM 0 HG23 VAL A 43 -8.923 -6.784 -0.294 1.00 0.00 H new ATOM 587 N ASP A 44 -12.141 -8.914 3.038 1.00 0.00 N ATOM 588 CA ASP A 44 -13.086 -9.884 3.579 1.00 0.00 C ATOM 589 C ASP A 44 -14.378 -9.895 2.768 1.00 0.00 C ATOM 590 O ASP A 44 -14.489 -9.210 1.752 1.00 0.00 O ATOM 591 CB ASP A 44 -13.392 -9.567 5.044 1.00 0.00 C ATOM 592 CG ASP A 44 -14.290 -8.355 5.199 1.00 0.00 C ATOM 593 OD1 ASP A 44 -13.804 -7.225 4.982 1.00 0.00 O ATOM 594 OD2 ASP A 44 -15.478 -8.537 5.537 1.00 0.00 O ATOM 0 H ASP A 44 -12.237 -7.973 3.420 1.00 0.00 H new ATOM 0 HA ASP A 44 -12.630 -10.872 3.516 1.00 0.00 H new ATOM 0 HB2 ASP A 44 -13.869 -10.431 5.508 1.00 0.00 H new ATOM 0 HB3 ASP A 44 -12.458 -9.394 5.578 1.00 0.00 H new ATOM 599 N GLU A 45 -15.350 -10.680 3.223 1.00 0.00 N ATOM 600 CA GLU A 45 -16.632 -10.781 2.537 1.00 0.00 C ATOM 601 C GLU A 45 -17.321 -9.421 2.466 1.00 0.00 C ATOM 602 O GLU A 45 -17.902 -9.059 1.443 1.00 0.00 O ATOM 603 CB GLU A 45 -17.539 -11.787 3.250 1.00 0.00 C ATOM 604 CG GLU A 45 -18.031 -11.309 4.606 1.00 0.00 C ATOM 605 CD GLU A 45 -18.519 -12.446 5.483 1.00 0.00 C ATOM 606 OE1 GLU A 45 -19.351 -13.247 5.009 1.00 0.00 O ATOM 607 OE2 GLU A 45 -18.067 -12.534 6.644 1.00 0.00 O ATOM 0 H GLU A 45 -15.274 -11.254 4.063 1.00 0.00 H new ATOM 0 HA GLU A 45 -16.444 -11.127 1.521 1.00 0.00 H new ATOM 0 HB2 GLU A 45 -18.399 -12.001 2.616 1.00 0.00 H new ATOM 0 HB3 GLU A 45 -16.997 -12.724 3.379 1.00 0.00 H new ATOM 0 HG2 GLU A 45 -17.225 -10.782 5.116 1.00 0.00 H new ATOM 0 HG3 GLU A 45 -18.840 -10.592 4.463 1.00 0.00 H new ATOM 614 N LYS A 46 -17.252 -8.672 3.562 1.00 0.00 N ATOM 615 CA LYS A 46 -17.867 -7.352 3.626 1.00 0.00 C ATOM 616 C LYS A 46 -17.162 -6.377 2.689 1.00 0.00 C ATOM 617 O LYS A 46 -17.734 -5.367 2.282 1.00 0.00 O ATOM 618 CB LYS A 46 -17.827 -6.817 5.059 1.00 0.00 C ATOM 619 CG LYS A 46 -18.517 -7.722 6.065 1.00 0.00 C ATOM 620 CD LYS A 46 -19.098 -6.927 7.223 1.00 0.00 C ATOM 621 CE LYS A 46 -19.799 -7.833 8.225 1.00 0.00 C ATOM 622 NZ LYS A 46 -20.450 -7.055 9.315 1.00 0.00 N ATOM 0 H LYS A 46 -16.776 -8.957 4.418 1.00 0.00 H new ATOM 0 HA LYS A 46 -18.905 -7.447 3.309 1.00 0.00 H new ATOM 0 HB2 LYS A 46 -16.788 -6.681 5.358 1.00 0.00 H new ATOM 0 HB3 LYS A 46 -18.298 -5.834 5.084 1.00 0.00 H new ATOM 0 HG2 LYS A 46 -19.312 -8.279 5.569 1.00 0.00 H new ATOM 0 HG3 LYS A 46 -17.805 -8.454 6.446 1.00 0.00 H new ATOM 0 HD2 LYS A 46 -18.302 -6.376 7.724 1.00 0.00 H new ATOM 0 HD3 LYS A 46 -19.804 -6.190 6.841 1.00 0.00 H new ATOM 0 HE2 LYS A 46 -20.549 -8.433 7.709 1.00 0.00 H new ATOM 0 HE3 LYS A 46 -19.076 -8.526 8.655 1.00 0.00 H new ATOM 0 HZ1 LYS A 46 -20.916 -7.708 9.977 1.00 0.00 H new ATOM 0 HZ2 LYS A 46 -19.731 -6.502 9.824 1.00 0.00 H new ATOM 0 HZ3 LYS A 46 -21.158 -6.411 8.907 1.00 0.00 H new ATOM 636 N GLY A 47 -15.914 -6.687 2.348 1.00 0.00 N ATOM 637 CA GLY A 47 -15.152 -5.829 1.460 1.00 0.00 C ATOM 638 C GLY A 47 -14.266 -4.856 2.213 1.00 0.00 C ATOM 639 O GLY A 47 -13.800 -3.865 1.650 1.00 0.00 O ATOM 0 H GLY A 47 -15.418 -7.517 2.671 1.00 0.00 H new ATOM 0 HA2 GLY A 47 -14.536 -6.445 0.805 1.00 0.00 H new ATOM 0 HA3 GLY A 47 -15.837 -5.272 0.821 1.00 0.00 H new ATOM 643 N LYS A 48 -14.034 -5.138 3.491 1.00 0.00 N ATOM 644 CA LYS A 48 -13.198 -4.281 4.323 1.00 0.00 C ATOM 645 C LYS A 48 -11.814 -4.892 4.517 1.00 0.00 C ATOM 646 O LYS A 48 -11.687 -6.081 4.811 1.00 0.00 O ATOM 647 CB LYS A 48 -13.862 -4.053 5.683 1.00 0.00 C ATOM 648 CG LYS A 48 -13.148 -3.025 6.544 1.00 0.00 C ATOM 649 CD LYS A 48 -12.081 -3.669 7.413 1.00 0.00 C ATOM 650 CE LYS A 48 -12.645 -4.103 8.757 1.00 0.00 C ATOM 651 NZ LYS A 48 -11.635 -4.832 9.573 1.00 0.00 N ATOM 0 H LYS A 48 -14.413 -5.953 3.973 1.00 0.00 H new ATOM 0 HA LYS A 48 -13.084 -3.323 3.815 1.00 0.00 H new ATOM 0 HB2 LYS A 48 -14.891 -3.731 5.526 1.00 0.00 H new ATOM 0 HB3 LYS A 48 -13.903 -5.000 6.221 1.00 0.00 H new ATOM 0 HG2 LYS A 48 -12.691 -2.269 5.906 1.00 0.00 H new ATOM 0 HG3 LYS A 48 -13.873 -2.512 7.176 1.00 0.00 H new ATOM 0 HD2 LYS A 48 -11.662 -4.533 6.897 1.00 0.00 H new ATOM 0 HD3 LYS A 48 -11.264 -2.965 7.570 1.00 0.00 H new ATOM 0 HE2 LYS A 48 -12.991 -3.227 9.305 1.00 0.00 H new ATOM 0 HE3 LYS A 48 -13.513 -4.743 8.597 1.00 0.00 H new ATOM 0 HZ1 LYS A 48 -12.101 -5.599 10.098 1.00 0.00 H new ATOM 0 HZ2 LYS A 48 -10.907 -5.233 8.948 1.00 0.00 H new ATOM 0 HZ3 LYS A 48 -11.190 -4.174 10.244 1.00 0.00 H new ATOM 665 N ILE A 49 -10.782 -4.072 4.353 1.00 0.00 N ATOM 666 CA ILE A 49 -9.408 -4.533 4.512 1.00 0.00 C ATOM 667 C ILE A 49 -9.135 -4.959 5.951 1.00 0.00 C ATOM 668 O ILE A 49 -9.126 -4.133 6.864 1.00 0.00 O ATOM 669 CB ILE A 49 -8.398 -3.442 4.111 1.00 0.00 C ATOM 670 CG1 ILE A 49 -8.536 -3.110 2.624 1.00 0.00 C ATOM 671 CG2 ILE A 49 -6.980 -3.890 4.430 1.00 0.00 C ATOM 672 CD1 ILE A 49 -8.167 -1.682 2.287 1.00 0.00 C ATOM 0 H ILE A 49 -10.871 -3.085 4.110 1.00 0.00 H new ATOM 0 HA ILE A 49 -9.284 -5.391 3.851 1.00 0.00 H new ATOM 0 HB ILE A 49 -8.611 -2.541 4.686 1.00 0.00 H new ATOM 0 HG12 ILE A 49 -7.903 -3.786 2.049 1.00 0.00 H new ATOM 0 HG13 ILE A 49 -9.564 -3.294 2.313 1.00 0.00 H new ATOM 0 HG21 ILE A 49 -6.278 -3.108 4.141 1.00 0.00 H new ATOM 0 HG22 ILE A 49 -6.891 -4.081 5.499 1.00 0.00 H new ATOM 0 HG23 ILE A 49 -6.754 -4.803 3.879 1.00 0.00 H new ATOM 0 HD11 ILE A 49 -8.288 -1.518 1.216 1.00 0.00 H new ATOM 0 HD12 ILE A 49 -8.817 -0.999 2.835 1.00 0.00 H new ATOM 0 HD13 ILE A 49 -7.130 -1.499 2.567 1.00 0.00 H new ATOM 684 N VAL A 50 -8.910 -6.255 6.146 1.00 0.00 N ATOM 685 CA VAL A 50 -8.634 -6.791 7.473 1.00 0.00 C ATOM 686 C VAL A 50 -7.134 -6.946 7.702 1.00 0.00 C ATOM 687 O VAL A 50 -6.646 -6.783 8.820 1.00 0.00 O ATOM 688 CB VAL A 50 -9.317 -8.156 7.681 1.00 0.00 C ATOM 689 CG1 VAL A 50 -10.830 -8.004 7.661 1.00 0.00 C ATOM 690 CG2 VAL A 50 -8.858 -9.147 6.622 1.00 0.00 C ATOM 0 H VAL A 50 -8.914 -6.952 5.402 1.00 0.00 H new ATOM 0 HA VAL A 50 -9.037 -6.078 8.192 1.00 0.00 H new ATOM 0 HB VAL A 50 -9.028 -8.543 8.658 1.00 0.00 H new ATOM 0 HG11 VAL A 50 -11.296 -8.978 7.809 1.00 0.00 H new ATOM 0 HG12 VAL A 50 -11.138 -7.329 8.459 1.00 0.00 H new ATOM 0 HG13 VAL A 50 -11.142 -7.595 6.700 1.00 0.00 H new ATOM 0 HG21 VAL A 50 -9.350 -10.106 6.784 1.00 0.00 H new ATOM 0 HG22 VAL A 50 -9.117 -8.769 5.633 1.00 0.00 H new ATOM 0 HG23 VAL A 50 -7.778 -9.277 6.690 1.00 0.00 H new ATOM 700 N ASP A 51 -6.408 -7.260 6.635 1.00 0.00 N ATOM 701 CA ASP A 51 -4.963 -7.436 6.718 1.00 0.00 C ATOM 702 C ASP A 51 -4.248 -6.544 5.707 1.00 0.00 C ATOM 703 O ASP A 51 -4.686 -6.409 4.565 1.00 0.00 O ATOM 704 CB ASP A 51 -4.591 -8.899 6.478 1.00 0.00 C ATOM 705 CG ASP A 51 -3.173 -9.215 6.911 1.00 0.00 C ATOM 706 OD1 ASP A 51 -2.320 -8.304 6.857 1.00 0.00 O ATOM 707 OD2 ASP A 51 -2.915 -10.372 7.303 1.00 0.00 O ATOM 0 H ASP A 51 -6.797 -7.398 5.702 1.00 0.00 H new ATOM 0 HA ASP A 51 -4.644 -7.148 7.720 1.00 0.00 H new ATOM 0 HB2 ASP A 51 -5.285 -9.541 7.021 1.00 0.00 H new ATOM 0 HB3 ASP A 51 -4.704 -9.131 5.419 1.00 0.00 H new ATOM 712 N ALA A 52 -3.148 -5.935 6.137 1.00 0.00 N ATOM 713 CA ALA A 52 -2.372 -5.057 5.270 1.00 0.00 C ATOM 714 C ALA A 52 -0.876 -5.257 5.483 1.00 0.00 C ATOM 715 O ALA A 52 -0.392 -5.234 6.615 1.00 0.00 O ATOM 716 CB ALA A 52 -2.753 -3.604 5.514 1.00 0.00 C ATOM 0 H ALA A 52 -2.774 -6.034 7.081 1.00 0.00 H new ATOM 0 HA ALA A 52 -2.602 -5.313 4.236 1.00 0.00 H new ATOM 0 HB1 ALA A 52 -2.166 -2.959 4.860 1.00 0.00 H new ATOM 0 HB2 ALA A 52 -3.813 -3.466 5.303 1.00 0.00 H new ATOM 0 HB3 ALA A 52 -2.553 -3.345 6.554 1.00 0.00 H new ATOM 722 N ARG A 53 -0.148 -5.454 4.388 1.00 0.00 N ATOM 723 CA ARG A 53 1.294 -5.660 4.456 1.00 0.00 C ATOM 724 C ARG A 53 2.016 -4.790 3.432 1.00 0.00 C ATOM 725 O ARG A 53 1.483 -4.501 2.361 1.00 0.00 O ATOM 726 CB ARG A 53 1.632 -7.133 4.219 1.00 0.00 C ATOM 727 CG ARG A 53 1.200 -8.048 5.354 1.00 0.00 C ATOM 728 CD ARG A 53 2.146 -9.229 5.508 1.00 0.00 C ATOM 729 NE ARG A 53 1.473 -10.399 6.065 1.00 0.00 N ATOM 730 CZ ARG A 53 1.194 -10.541 7.356 1.00 0.00 C ATOM 731 NH1 ARG A 53 1.527 -9.590 8.218 1.00 0.00 N ATOM 732 NH2 ARG A 53 0.580 -11.635 7.787 1.00 0.00 N ATOM 0 H ARG A 53 -0.533 -5.475 3.444 1.00 0.00 H new ATOM 0 HA ARG A 53 1.630 -5.373 5.452 1.00 0.00 H new ATOM 0 HB2 ARG A 53 1.154 -7.463 3.296 1.00 0.00 H new ATOM 0 HB3 ARG A 53 2.708 -7.231 4.074 1.00 0.00 H new ATOM 0 HG2 ARG A 53 1.167 -7.483 6.286 1.00 0.00 H new ATOM 0 HG3 ARG A 53 0.190 -8.412 5.165 1.00 0.00 H new ATOM 0 HD2 ARG A 53 2.570 -9.483 4.537 1.00 0.00 H new ATOM 0 HD3 ARG A 53 2.977 -8.946 6.155 1.00 0.00 H new ATOM 0 HE ARG A 53 1.202 -11.148 5.428 1.00 0.00 H new ATOM 0 HH11 ARG A 53 1.998 -8.747 7.890 1.00 0.00 H new ATOM 0 HH12 ARG A 53 1.312 -9.701 9.209 1.00 0.00 H new ATOM 0 HH21 ARG A 53 0.322 -12.368 7.127 1.00 0.00 H new ATOM 0 HH22 ARG A 53 0.366 -11.743 8.779 1.00 0.00 H new ATOM 746 N PHE A 54 3.233 -4.375 3.769 1.00 0.00 N ATOM 747 CA PHE A 54 4.028 -3.537 2.879 1.00 0.00 C ATOM 748 C PHE A 54 5.506 -3.908 2.959 1.00 0.00 C ATOM 749 O PHE A 54 6.072 -4.022 4.046 1.00 0.00 O ATOM 750 CB PHE A 54 3.842 -2.060 3.235 1.00 0.00 C ATOM 751 CG PHE A 54 4.830 -1.559 4.249 1.00 0.00 C ATOM 752 CD1 PHE A 54 4.643 -1.809 5.599 1.00 0.00 C ATOM 753 CD2 PHE A 54 5.944 -0.836 3.853 1.00 0.00 C ATOM 754 CE1 PHE A 54 5.550 -1.350 6.536 1.00 0.00 C ATOM 755 CE2 PHE A 54 6.854 -0.375 4.785 1.00 0.00 C ATOM 756 CZ PHE A 54 6.657 -0.630 6.128 1.00 0.00 C ATOM 0 H PHE A 54 3.690 -4.605 4.651 1.00 0.00 H new ATOM 0 HA PHE A 54 3.684 -3.705 1.858 1.00 0.00 H new ATOM 0 HB2 PHE A 54 3.930 -1.462 2.328 1.00 0.00 H new ATOM 0 HB3 PHE A 54 2.833 -1.911 3.619 1.00 0.00 H new ATOM 0 HD1 PHE A 54 3.778 -2.369 5.923 1.00 0.00 H new ATOM 0 HD2 PHE A 54 6.103 -0.631 2.805 1.00 0.00 H new ATOM 0 HE1 PHE A 54 5.394 -1.554 7.585 1.00 0.00 H new ATOM 0 HE2 PHE A 54 7.720 0.185 4.463 1.00 0.00 H new ATOM 0 HZ PHE A 54 7.366 -0.268 6.858 1.00 0.00 H new ATOM 766 N LYS A 55 6.125 -4.098 1.798 1.00 0.00 N ATOM 767 CA LYS A 55 7.537 -4.456 1.734 1.00 0.00 C ATOM 768 C LYS A 55 8.263 -3.622 0.682 1.00 0.00 C ATOM 769 O LYS A 55 8.198 -3.916 -0.512 1.00 0.00 O ATOM 770 CB LYS A 55 7.693 -5.945 1.416 1.00 0.00 C ATOM 771 CG LYS A 55 9.096 -6.475 1.656 1.00 0.00 C ATOM 772 CD LYS A 55 9.517 -6.301 3.105 1.00 0.00 C ATOM 773 CE LYS A 55 10.493 -7.385 3.536 1.00 0.00 C ATOM 774 NZ LYS A 55 11.271 -6.985 4.741 1.00 0.00 N ATOM 0 H LYS A 55 5.671 -4.010 0.889 1.00 0.00 H new ATOM 0 HA LYS A 55 7.983 -4.250 2.707 1.00 0.00 H new ATOM 0 HB2 LYS A 55 6.990 -6.513 2.025 1.00 0.00 H new ATOM 0 HB3 LYS A 55 7.423 -6.116 0.374 1.00 0.00 H new ATOM 0 HG2 LYS A 55 9.138 -7.531 1.388 1.00 0.00 H new ATOM 0 HG3 LYS A 55 9.799 -5.953 1.007 1.00 0.00 H new ATOM 0 HD2 LYS A 55 9.978 -5.322 3.236 1.00 0.00 H new ATOM 0 HD3 LYS A 55 8.636 -6.327 3.747 1.00 0.00 H new ATOM 0 HE2 LYS A 55 9.945 -8.304 3.746 1.00 0.00 H new ATOM 0 HE3 LYS A 55 11.179 -7.603 2.717 1.00 0.00 H new ATOM 0 HZ1 LYS A 55 11.924 -7.751 5.002 1.00 0.00 H new ATOM 0 HZ2 LYS A 55 11.814 -6.123 4.533 1.00 0.00 H new ATOM 0 HZ3 LYS A 55 10.619 -6.802 5.530 1.00 0.00 H new ATOM 788 N THR A 56 8.955 -2.581 1.134 1.00 0.00 N ATOM 789 CA THR A 56 9.693 -1.705 0.232 1.00 0.00 C ATOM 790 C THR A 56 11.185 -2.016 0.262 1.00 0.00 C ATOM 791 O THR A 56 11.719 -2.448 1.284 1.00 0.00 O ATOM 792 CB THR A 56 9.482 -0.222 0.592 1.00 0.00 C ATOM 793 OG1 THR A 56 8.113 0.007 0.944 1.00 0.00 O ATOM 794 CG2 THR A 56 9.869 0.678 -0.572 1.00 0.00 C ATOM 0 H THR A 56 9.020 -2.324 2.119 1.00 0.00 H new ATOM 0 HA THR A 56 9.307 -1.886 -0.771 1.00 0.00 H new ATOM 0 HB THR A 56 10.120 0.017 1.443 1.00 0.00 H new ATOM 0 HG1 THR A 56 7.891 0.951 0.799 1.00 0.00 H new ATOM 0 HG21 THR A 56 9.711 1.720 -0.294 1.00 0.00 H new ATOM 0 HG22 THR A 56 10.919 0.523 -0.818 1.00 0.00 H new ATOM 0 HG23 THR A 56 9.254 0.437 -1.439 1.00 0.00 H new ATOM 802 N PHE A 57 11.854 -1.793 -0.864 1.00 0.00 N ATOM 803 CA PHE A 57 13.285 -2.050 -0.967 1.00 0.00 C ATOM 804 C PHE A 57 13.999 -0.888 -1.651 1.00 0.00 C ATOM 805 O PHE A 57 13.869 -0.689 -2.858 1.00 0.00 O ATOM 806 CB PHE A 57 13.538 -3.345 -1.742 1.00 0.00 C ATOM 807 CG PHE A 57 12.906 -4.554 -1.112 1.00 0.00 C ATOM 808 CD1 PHE A 57 13.521 -5.201 -0.053 1.00 0.00 C ATOM 809 CD2 PHE A 57 11.697 -5.042 -1.580 1.00 0.00 C ATOM 810 CE1 PHE A 57 12.942 -6.313 0.528 1.00 0.00 C ATOM 811 CE2 PHE A 57 11.113 -6.154 -1.002 1.00 0.00 C ATOM 812 CZ PHE A 57 11.737 -6.791 0.052 1.00 0.00 C ATOM 0 H PHE A 57 11.428 -1.435 -1.718 1.00 0.00 H new ATOM 0 HA PHE A 57 13.683 -2.155 0.042 1.00 0.00 H new ATOM 0 HB2 PHE A 57 13.156 -3.232 -2.757 1.00 0.00 H new ATOM 0 HB3 PHE A 57 14.613 -3.507 -1.822 1.00 0.00 H new ATOM 0 HD1 PHE A 57 14.464 -4.832 0.323 1.00 0.00 H new ATOM 0 HD2 PHE A 57 11.205 -4.549 -2.405 1.00 0.00 H new ATOM 0 HE1 PHE A 57 13.431 -6.808 1.354 1.00 0.00 H new ATOM 0 HE2 PHE A 57 10.169 -6.524 -1.375 1.00 0.00 H new ATOM 0 HZ PHE A 57 11.284 -7.661 0.503 1.00 0.00 H new ATOM 822 N GLY A 58 14.753 -0.122 -0.868 1.00 0.00 N ATOM 823 CA GLY A 58 15.476 1.012 -1.414 1.00 0.00 C ATOM 824 C GLY A 58 15.590 2.157 -0.427 1.00 0.00 C ATOM 825 O GLY A 58 15.884 1.945 0.750 1.00 0.00 O ATOM 0 H GLY A 58 14.876 -0.266 0.134 1.00 0.00 H new ATOM 0 HA2 GLY A 58 16.475 0.693 -1.712 1.00 0.00 H new ATOM 0 HA3 GLY A 58 14.971 1.362 -2.314 1.00 0.00 H new ATOM 829 N CYS A 59 15.360 3.375 -0.906 1.00 0.00 N ATOM 830 CA CYS A 59 15.441 4.558 -0.059 1.00 0.00 C ATOM 831 C CYS A 59 14.398 4.503 1.053 1.00 0.00 C ATOM 832 O CYS A 59 13.328 3.920 0.887 1.00 0.00 O ATOM 833 CB CYS A 59 15.245 5.824 -0.896 1.00 0.00 C ATOM 834 SG CYS A 59 13.501 6.298 -1.129 1.00 0.00 S ATOM 0 H CYS A 59 15.116 3.568 -1.877 1.00 0.00 H new ATOM 0 HA CYS A 59 16.431 4.581 0.397 1.00 0.00 H new ATOM 0 HB2 CYS A 59 15.774 6.648 -0.418 1.00 0.00 H new ATOM 0 HB3 CYS A 59 15.704 5.675 -1.873 1.00 0.00 H new ATOM 0 HG CYS A 59 13.334 6.762 -2.332 1.00 0.00 H new ATOM 839 N GLY A 60 14.718 5.116 2.189 1.00 0.00 N ATOM 840 CA GLY A 60 13.799 5.126 3.312 1.00 0.00 C ATOM 841 C GLY A 60 12.486 5.807 2.980 1.00 0.00 C ATOM 842 O GLY A 60 11.415 5.232 3.173 1.00 0.00 O ATOM 0 H GLY A 60 15.598 5.606 2.351 1.00 0.00 H new ATOM 0 HA2 GLY A 60 13.604 4.101 3.627 1.00 0.00 H new ATOM 0 HA3 GLY A 60 14.266 5.635 4.155 1.00 0.00 H new ATOM 846 N SER A 61 12.568 7.037 2.483 1.00 0.00 N ATOM 847 CA SER A 61 11.377 7.800 2.129 1.00 0.00 C ATOM 848 C SER A 61 10.291 6.884 1.574 1.00 0.00 C ATOM 849 O SER A 61 9.100 7.119 1.779 1.00 0.00 O ATOM 850 CB SER A 61 11.723 8.880 1.103 1.00 0.00 C ATOM 851 OG SER A 61 12.901 9.576 1.473 1.00 0.00 O ATOM 0 H SER A 61 13.447 7.527 2.316 1.00 0.00 H new ATOM 0 HA SER A 61 10.999 8.277 3.033 1.00 0.00 H new ATOM 0 HB2 SER A 61 11.859 8.424 0.122 1.00 0.00 H new ATOM 0 HB3 SER A 61 10.894 9.582 1.016 1.00 0.00 H new ATOM 0 HG SER A 61 12.664 10.348 2.028 1.00 0.00 H new ATOM 857 N ALA A 62 10.710 5.839 0.868 1.00 0.00 N ATOM 858 CA ALA A 62 9.775 4.886 0.284 1.00 0.00 C ATOM 859 C ALA A 62 9.194 3.963 1.350 1.00 0.00 C ATOM 860 O ALA A 62 7.978 3.801 1.448 1.00 0.00 O ATOM 861 CB ALA A 62 10.460 4.074 -0.805 1.00 0.00 C ATOM 0 H ALA A 62 11.692 5.631 0.687 1.00 0.00 H new ATOM 0 HA ALA A 62 8.953 5.447 -0.160 1.00 0.00 H new ATOM 0 HB1 ALA A 62 9.750 3.366 -1.232 1.00 0.00 H new ATOM 0 HB2 ALA A 62 10.820 4.744 -1.586 1.00 0.00 H new ATOM 0 HB3 ALA A 62 11.302 3.530 -0.378 1.00 0.00 H new ATOM 867 N ILE A 63 10.072 3.359 2.145 1.00 0.00 N ATOM 868 CA ILE A 63 9.645 2.453 3.203 1.00 0.00 C ATOM 869 C ILE A 63 8.689 3.145 4.168 1.00 0.00 C ATOM 870 O ILE A 63 7.677 2.574 4.572 1.00 0.00 O ATOM 871 CB ILE A 63 10.848 1.905 3.994 1.00 0.00 C ATOM 872 CG1 ILE A 63 11.715 1.018 3.097 1.00 0.00 C ATOM 873 CG2 ILE A 63 10.372 1.130 5.214 1.00 0.00 C ATOM 874 CD1 ILE A 63 13.153 0.918 3.555 1.00 0.00 C ATOM 0 H ILE A 63 11.082 3.481 2.076 1.00 0.00 H new ATOM 0 HA ILE A 63 9.130 1.623 2.719 1.00 0.00 H new ATOM 0 HB ILE A 63 11.452 2.745 4.335 1.00 0.00 H new ATOM 0 HG12 ILE A 63 11.283 0.018 3.062 1.00 0.00 H new ATOM 0 HG13 ILE A 63 11.692 1.411 2.080 1.00 0.00 H new ATOM 0 HG21 ILE A 63 11.234 0.749 5.762 1.00 0.00 H new ATOM 0 HG22 ILE A 63 9.793 1.789 5.861 1.00 0.00 H new ATOM 0 HG23 ILE A 63 9.748 0.296 4.894 1.00 0.00 H new ATOM 0 HD11 ILE A 63 13.708 0.274 2.873 1.00 0.00 H new ATOM 0 HD12 ILE A 63 13.602 1.911 3.563 1.00 0.00 H new ATOM 0 HD13 ILE A 63 13.186 0.497 4.560 1.00 0.00 H new ATOM 886 N ALA A 64 9.018 4.380 4.534 1.00 0.00 N ATOM 887 CA ALA A 64 8.186 5.153 5.448 1.00 0.00 C ATOM 888 C ALA A 64 6.783 5.345 4.885 1.00 0.00 C ATOM 889 O ALA A 64 5.814 4.787 5.402 1.00 0.00 O ATOM 890 CB ALA A 64 8.831 6.501 5.736 1.00 0.00 C ATOM 0 H ALA A 64 9.855 4.866 4.211 1.00 0.00 H new ATOM 0 HA ALA A 64 8.101 4.596 6.381 1.00 0.00 H new ATOM 0 HB1 ALA A 64 8.199 7.068 6.420 1.00 0.00 H new ATOM 0 HB2 ALA A 64 9.810 6.346 6.190 1.00 0.00 H new ATOM 0 HB3 ALA A 64 8.947 7.055 4.805 1.00 0.00 H new ATOM 896 N SER A 65 6.679 6.137 3.823 1.00 0.00 N ATOM 897 CA SER A 65 5.392 6.406 3.193 1.00 0.00 C ATOM 898 C SER A 65 4.514 5.159 3.196 1.00 0.00 C ATOM 899 O SER A 65 3.318 5.228 3.479 1.00 0.00 O ATOM 900 CB SER A 65 5.596 6.897 1.758 1.00 0.00 C ATOM 901 OG SER A 65 6.167 8.194 1.739 1.00 0.00 O ATOM 0 H SER A 65 7.471 6.604 3.381 1.00 0.00 H new ATOM 0 HA SER A 65 4.889 7.184 3.768 1.00 0.00 H new ATOM 0 HB2 SER A 65 6.243 6.203 1.222 1.00 0.00 H new ATOM 0 HB3 SER A 65 4.640 6.910 1.235 1.00 0.00 H new ATOM 0 HG SER A 65 7.144 8.122 1.765 1.00 0.00 H new ATOM 907 N SER A 66 5.118 4.017 2.879 1.00 0.00 N ATOM 908 CA SER A 66 4.391 2.754 2.841 1.00 0.00 C ATOM 909 C SER A 66 3.962 2.331 4.242 1.00 0.00 C ATOM 910 O SER A 66 2.820 1.926 4.458 1.00 0.00 O ATOM 911 CB SER A 66 5.258 1.662 2.210 1.00 0.00 C ATOM 912 OG SER A 66 5.881 2.126 1.025 1.00 0.00 O ATOM 0 H SER A 66 6.108 3.941 2.645 1.00 0.00 H new ATOM 0 HA SER A 66 3.497 2.896 2.234 1.00 0.00 H new ATOM 0 HB2 SER A 66 6.018 1.340 2.922 1.00 0.00 H new ATOM 0 HB3 SER A 66 4.643 0.791 1.984 1.00 0.00 H new ATOM 0 HG SER A 66 6.671 2.658 1.257 1.00 0.00 H new ATOM 918 N SER A 67 4.886 2.429 5.192 1.00 0.00 N ATOM 919 CA SER A 67 4.606 2.054 6.573 1.00 0.00 C ATOM 920 C SER A 67 3.381 2.795 7.099 1.00 0.00 C ATOM 921 O SER A 67 2.647 2.283 7.946 1.00 0.00 O ATOM 922 CB SER A 67 5.816 2.352 7.461 1.00 0.00 C ATOM 923 OG SER A 67 5.551 2.022 8.813 1.00 0.00 O ATOM 0 H SER A 67 5.835 2.765 5.031 1.00 0.00 H new ATOM 0 HA SER A 67 4.401 0.984 6.598 1.00 0.00 H new ATOM 0 HB2 SER A 67 6.678 1.786 7.108 1.00 0.00 H new ATOM 0 HB3 SER A 67 6.075 3.408 7.385 1.00 0.00 H new ATOM 0 HG SER A 67 6.340 2.220 9.359 1.00 0.00 H new ATOM 929 N LEU A 68 3.165 4.004 6.593 1.00 0.00 N ATOM 930 CA LEU A 68 2.029 4.818 7.010 1.00 0.00 C ATOM 931 C LEU A 68 0.812 4.545 6.132 1.00 0.00 C ATOM 932 O LEU A 68 -0.324 4.558 6.606 1.00 0.00 O ATOM 933 CB LEU A 68 2.391 6.303 6.953 1.00 0.00 C ATOM 934 CG LEU A 68 1.215 7.279 6.915 1.00 0.00 C ATOM 935 CD1 LEU A 68 1.602 8.606 7.551 1.00 0.00 C ATOM 936 CD2 LEU A 68 0.742 7.490 5.484 1.00 0.00 C ATOM 0 H LEU A 68 3.763 4.443 5.892 1.00 0.00 H new ATOM 0 HA LEU A 68 1.780 4.551 8.037 1.00 0.00 H new ATOM 0 HB2 LEU A 68 3.006 6.540 7.821 1.00 0.00 H new ATOM 0 HB3 LEU A 68 3.007 6.473 6.070 1.00 0.00 H new ATOM 0 HG LEU A 68 0.393 6.850 7.488 1.00 0.00 H new ATOM 0 HD11 LEU A 68 0.753 9.288 7.515 1.00 0.00 H new ATOM 0 HD12 LEU A 68 1.891 8.441 8.589 1.00 0.00 H new ATOM 0 HD13 LEU A 68 2.440 9.040 7.005 1.00 0.00 H new ATOM 0 HD21 LEU A 68 -0.096 8.188 5.477 1.00 0.00 H new ATOM 0 HD22 LEU A 68 1.558 7.897 4.887 1.00 0.00 H new ATOM 0 HD23 LEU A 68 0.424 6.537 5.062 1.00 0.00 H new ATOM 948 N ALA A 69 1.058 4.296 4.850 1.00 0.00 N ATOM 949 CA ALA A 69 -0.017 4.016 3.906 1.00 0.00 C ATOM 950 C ALA A 69 -0.708 2.697 4.237 1.00 0.00 C ATOM 951 O ALA A 69 -1.930 2.642 4.377 1.00 0.00 O ATOM 952 CB ALA A 69 0.523 3.988 2.484 1.00 0.00 C ATOM 0 H ALA A 69 1.992 4.282 4.441 1.00 0.00 H new ATOM 0 HA ALA A 69 -0.755 4.814 3.987 1.00 0.00 H new ATOM 0 HB1 ALA A 69 -0.291 3.778 1.790 1.00 0.00 H new ATOM 0 HB2 ALA A 69 0.965 4.955 2.243 1.00 0.00 H new ATOM 0 HB3 ALA A 69 1.283 3.211 2.398 1.00 0.00 H new ATOM 958 N THR A 70 0.082 1.635 4.360 1.00 0.00 N ATOM 959 CA THR A 70 -0.454 0.316 4.673 1.00 0.00 C ATOM 960 C THR A 70 -1.176 0.320 6.015 1.00 0.00 C ATOM 961 O THR A 70 -2.007 -0.546 6.285 1.00 0.00 O ATOM 962 CB THR A 70 0.658 -0.750 4.703 1.00 0.00 C ATOM 963 OG1 THR A 70 0.111 -2.037 4.395 1.00 0.00 O ATOM 964 CG2 THR A 70 1.330 -0.791 6.067 1.00 0.00 C ATOM 0 H THR A 70 1.095 1.663 4.248 1.00 0.00 H new ATOM 0 HA THR A 70 -1.163 0.068 3.883 1.00 0.00 H new ATOM 0 HB THR A 70 1.406 -0.486 3.955 1.00 0.00 H new ATOM 0 HG1 THR A 70 0.718 -2.736 4.716 1.00 0.00 H new ATOM 0 HG21 THR A 70 2.112 -1.551 6.065 1.00 0.00 H new ATOM 0 HG22 THR A 70 1.770 0.182 6.285 1.00 0.00 H new ATOM 0 HG23 THR A 70 0.590 -1.034 6.830 1.00 0.00 H new ATOM 972 N GLU A 71 -0.852 1.300 6.853 1.00 0.00 N ATOM 973 CA GLU A 71 -1.471 1.415 8.169 1.00 0.00 C ATOM 974 C GLU A 71 -2.764 2.221 8.093 1.00 0.00 C ATOM 975 O GLU A 71 -3.566 2.217 9.028 1.00 0.00 O ATOM 976 CB GLU A 71 -0.504 2.073 9.156 1.00 0.00 C ATOM 977 CG GLU A 71 -1.129 2.380 10.506 1.00 0.00 C ATOM 978 CD GLU A 71 -0.093 2.578 11.596 1.00 0.00 C ATOM 979 OE1 GLU A 71 1.044 2.090 11.429 1.00 0.00 O ATOM 980 OE2 GLU A 71 -0.420 3.219 12.617 1.00 0.00 O ATOM 0 H GLU A 71 -0.165 2.025 6.645 1.00 0.00 H new ATOM 0 HA GLU A 71 -1.709 0.411 8.520 1.00 0.00 H new ATOM 0 HB2 GLU A 71 0.354 1.417 9.303 1.00 0.00 H new ATOM 0 HB3 GLU A 71 -0.127 2.998 8.720 1.00 0.00 H new ATOM 0 HG2 GLU A 71 -1.741 3.278 10.423 1.00 0.00 H new ATOM 0 HG3 GLU A 71 -1.796 1.565 10.787 1.00 0.00 H new ATOM 987 N TRP A 72 -2.960 2.910 6.975 1.00 0.00 N ATOM 988 CA TRP A 72 -4.156 3.722 6.777 1.00 0.00 C ATOM 989 C TRP A 72 -5.290 2.886 6.195 1.00 0.00 C ATOM 990 O TRP A 72 -6.457 3.085 6.533 1.00 0.00 O ATOM 991 CB TRP A 72 -3.849 4.902 5.854 1.00 0.00 C ATOM 992 CG TRP A 72 -3.171 6.042 6.552 1.00 0.00 C ATOM 993 CD1 TRP A 72 -2.815 6.101 7.869 1.00 0.00 C ATOM 994 CD2 TRP A 72 -2.769 7.286 5.970 1.00 0.00 C ATOM 995 NE1 TRP A 72 -2.216 7.308 8.141 1.00 0.00 N ATOM 996 CE2 TRP A 72 -2.175 8.052 6.992 1.00 0.00 C ATOM 997 CE3 TRP A 72 -2.851 7.828 4.684 1.00 0.00 C ATOM 998 CZ2 TRP A 72 -1.669 9.329 6.766 1.00 0.00 C ATOM 999 CZ3 TRP A 72 -2.349 9.095 4.461 1.00 0.00 C ATOM 1000 CH2 TRP A 72 -1.763 9.835 5.498 1.00 0.00 C ATOM 0 H TRP A 72 -2.307 2.923 6.192 1.00 0.00 H new ATOM 0 HA TRP A 72 -4.472 4.103 7.748 1.00 0.00 H new ATOM 0 HB2 TRP A 72 -3.216 4.559 5.036 1.00 0.00 H new ATOM 0 HB3 TRP A 72 -4.779 5.258 5.410 1.00 0.00 H new ATOM 0 HD1 TRP A 72 -2.980 5.315 8.591 1.00 0.00 H new ATOM 0 HE1 TRP A 72 -1.860 7.602 9.051 1.00 0.00 H new ATOM 0 HE3 TRP A 72 -3.299 7.265 3.879 1.00 0.00 H new ATOM 0 HZ2 TRP A 72 -1.218 9.901 7.564 1.00 0.00 H new ATOM 0 HZ3 TRP A 72 -2.409 9.523 3.471 1.00 0.00 H new ATOM 0 HH2 TRP A 72 -1.379 10.823 5.292 1.00 0.00 H new ATOM 1011 N VAL A 73 -4.940 1.950 5.319 1.00 0.00 N ATOM 1012 CA VAL A 73 -5.930 1.083 4.691 1.00 0.00 C ATOM 1013 C VAL A 73 -6.557 0.137 5.708 1.00 0.00 C ATOM 1014 O VAL A 73 -7.699 -0.294 5.551 1.00 0.00 O ATOM 1015 CB VAL A 73 -5.308 0.254 3.551 1.00 0.00 C ATOM 1016 CG1 VAL A 73 -4.743 1.167 2.474 1.00 0.00 C ATOM 1017 CG2 VAL A 73 -4.231 -0.673 4.094 1.00 0.00 C ATOM 0 H VAL A 73 -3.979 1.773 5.028 1.00 0.00 H new ATOM 0 HA VAL A 73 -6.702 1.732 4.279 1.00 0.00 H new ATOM 0 HB VAL A 73 -6.090 -0.358 3.101 1.00 0.00 H new ATOM 0 HG11 VAL A 73 -4.308 0.564 1.677 1.00 0.00 H new ATOM 0 HG12 VAL A 73 -5.542 1.786 2.066 1.00 0.00 H new ATOM 0 HG13 VAL A 73 -3.974 1.807 2.906 1.00 0.00 H new ATOM 0 HG21 VAL A 73 -3.802 -1.251 3.276 1.00 0.00 H new ATOM 0 HG22 VAL A 73 -3.448 -0.082 4.570 1.00 0.00 H new ATOM 0 HG23 VAL A 73 -4.670 -1.351 4.826 1.00 0.00 H new ATOM 1027 N LYS A 74 -5.802 -0.183 6.754 1.00 0.00 N ATOM 1028 CA LYS A 74 -6.283 -1.077 7.801 1.00 0.00 C ATOM 1029 C LYS A 74 -7.581 -0.555 8.408 1.00 0.00 C ATOM 1030 O LYS A 74 -7.674 0.610 8.790 1.00 0.00 O ATOM 1031 CB LYS A 74 -5.223 -1.233 8.893 1.00 0.00 C ATOM 1032 CG LYS A 74 -3.993 -2.002 8.442 1.00 0.00 C ATOM 1033 CD LYS A 74 -2.971 -2.125 9.560 1.00 0.00 C ATOM 1034 CE LYS A 74 -1.607 -2.535 9.026 1.00 0.00 C ATOM 1035 NZ LYS A 74 -0.514 -2.198 9.980 1.00 0.00 N ATOM 0 H LYS A 74 -4.854 0.164 6.899 1.00 0.00 H new ATOM 0 HA LYS A 74 -6.479 -2.051 7.352 1.00 0.00 H new ATOM 0 HB2 LYS A 74 -4.918 -0.244 9.235 1.00 0.00 H new ATOM 0 HB3 LYS A 74 -5.667 -1.743 9.748 1.00 0.00 H new ATOM 0 HG2 LYS A 74 -4.287 -2.996 8.106 1.00 0.00 H new ATOM 0 HG3 LYS A 74 -3.541 -1.498 7.588 1.00 0.00 H new ATOM 0 HD2 LYS A 74 -2.887 -1.173 10.084 1.00 0.00 H new ATOM 0 HD3 LYS A 74 -3.314 -2.860 10.288 1.00 0.00 H new ATOM 0 HE2 LYS A 74 -1.601 -3.607 8.831 1.00 0.00 H new ATOM 0 HE3 LYS A 74 -1.425 -2.036 8.074 1.00 0.00 H new ATOM 0 HZ1 LYS A 74 0.399 -2.493 9.580 1.00 0.00 H new ATOM 0 HZ2 LYS A 74 -0.503 -1.172 10.147 1.00 0.00 H new ATOM 0 HZ3 LYS A 74 -0.674 -2.694 10.880 1.00 0.00 H new ATOM 1049 N GLY A 75 -8.581 -1.428 8.495 1.00 0.00 N ATOM 1050 CA GLY A 75 -9.860 -1.036 9.058 1.00 0.00 C ATOM 1051 C GLY A 75 -10.761 -0.365 8.040 1.00 0.00 C ATOM 1052 O GLY A 75 -11.982 -0.350 8.195 1.00 0.00 O ATOM 0 H GLY A 75 -8.528 -2.399 8.186 1.00 0.00 H new ATOM 0 HA2 GLY A 75 -10.362 -1.917 9.458 1.00 0.00 H new ATOM 0 HA3 GLY A 75 -9.693 -0.357 9.894 1.00 0.00 H new ATOM 1056 N LYS A 76 -10.158 0.194 6.997 1.00 0.00 N ATOM 1057 CA LYS A 76 -10.912 0.871 5.948 1.00 0.00 C ATOM 1058 C LYS A 76 -11.342 -0.114 4.865 1.00 0.00 C ATOM 1059 O LYS A 76 -10.955 -1.282 4.884 1.00 0.00 O ATOM 1060 CB LYS A 76 -10.073 1.992 5.330 1.00 0.00 C ATOM 1061 CG LYS A 76 -9.801 3.143 6.282 1.00 0.00 C ATOM 1062 CD LYS A 76 -8.763 4.100 5.718 1.00 0.00 C ATOM 1063 CE LYS A 76 -9.410 5.190 4.877 1.00 0.00 C ATOM 1064 NZ LYS A 76 -8.466 6.307 4.597 1.00 0.00 N ATOM 0 H LYS A 76 -9.148 0.192 6.855 1.00 0.00 H new ATOM 0 HA LYS A 76 -11.806 1.302 6.398 1.00 0.00 H new ATOM 0 HB2 LYS A 76 -9.123 1.579 4.992 1.00 0.00 H new ATOM 0 HB3 LYS A 76 -10.586 2.375 4.448 1.00 0.00 H new ATOM 0 HG2 LYS A 76 -10.728 3.683 6.476 1.00 0.00 H new ATOM 0 HG3 LYS A 76 -9.454 2.751 7.238 1.00 0.00 H new ATOM 0 HD2 LYS A 76 -8.203 4.554 6.535 1.00 0.00 H new ATOM 0 HD3 LYS A 76 -8.048 3.546 5.110 1.00 0.00 H new ATOM 0 HE2 LYS A 76 -9.758 4.764 3.936 1.00 0.00 H new ATOM 0 HE3 LYS A 76 -10.287 5.577 5.396 1.00 0.00 H new ATOM 0 HZ1 LYS A 76 -8.944 7.030 4.022 1.00 0.00 H new ATOM 0 HZ2 LYS A 76 -8.153 6.730 5.494 1.00 0.00 H new ATOM 0 HZ3 LYS A 76 -7.641 5.943 4.079 1.00 0.00 H new ATOM 1078 N THR A 77 -12.144 0.367 3.920 1.00 0.00 N ATOM 1079 CA THR A 77 -12.626 -0.471 2.829 1.00 0.00 C ATOM 1080 C THR A 77 -11.952 -0.100 1.513 1.00 0.00 C ATOM 1081 O THR A 77 -11.585 1.055 1.295 1.00 0.00 O ATOM 1082 CB THR A 77 -14.153 -0.352 2.662 1.00 0.00 C ATOM 1083 OG1 THR A 77 -14.524 1.022 2.510 1.00 0.00 O ATOM 1084 CG2 THR A 77 -14.876 -0.949 3.860 1.00 0.00 C ATOM 0 H THR A 77 -12.473 1.332 3.888 1.00 0.00 H new ATOM 0 HA THR A 77 -12.375 -1.500 3.086 1.00 0.00 H new ATOM 0 HB THR A 77 -14.443 -0.906 1.769 1.00 0.00 H new ATOM 0 HG1 THR A 77 -15.496 1.088 2.403 1.00 0.00 H new ATOM 0 HG21 THR A 77 -15.953 -0.854 3.720 1.00 0.00 H new ATOM 0 HG22 THR A 77 -14.614 -2.003 3.955 1.00 0.00 H new ATOM 0 HG23 THR A 77 -14.580 -0.419 4.765 1.00 0.00 H new ATOM 1092 N VAL A 78 -11.792 -1.087 0.637 1.00 0.00 N ATOM 1093 CA VAL A 78 -11.164 -0.864 -0.660 1.00 0.00 C ATOM 1094 C VAL A 78 -11.571 0.484 -1.244 1.00 0.00 C ATOM 1095 O VAL A 78 -10.735 1.229 -1.753 1.00 0.00 O ATOM 1096 CB VAL A 78 -11.530 -1.976 -1.660 1.00 0.00 C ATOM 1097 CG1 VAL A 78 -11.056 -3.329 -1.152 1.00 0.00 C ATOM 1098 CG2 VAL A 78 -13.030 -1.989 -1.916 1.00 0.00 C ATOM 0 H VAL A 78 -12.089 -2.049 0.802 1.00 0.00 H new ATOM 0 HA VAL A 78 -10.087 -0.874 -0.495 1.00 0.00 H new ATOM 0 HB VAL A 78 -11.025 -1.772 -2.604 1.00 0.00 H new ATOM 0 HG11 VAL A 78 -11.324 -4.102 -1.872 1.00 0.00 H new ATOM 0 HG12 VAL A 78 -9.974 -3.311 -1.025 1.00 0.00 H new ATOM 0 HG13 VAL A 78 -11.530 -3.545 -0.195 1.00 0.00 H new ATOM 0 HG21 VAL A 78 -13.271 -2.781 -2.625 1.00 0.00 H new ATOM 0 HG22 VAL A 78 -13.557 -2.168 -0.979 1.00 0.00 H new ATOM 0 HG23 VAL A 78 -13.337 -1.028 -2.328 1.00 0.00 H new ATOM 1108 N GLU A 79 -12.863 0.791 -1.165 1.00 0.00 N ATOM 1109 CA GLU A 79 -13.381 2.050 -1.686 1.00 0.00 C ATOM 1110 C GLU A 79 -12.690 3.239 -1.024 1.00 0.00 C ATOM 1111 O GLU A 79 -12.309 4.199 -1.693 1.00 0.00 O ATOM 1112 CB GLU A 79 -14.892 2.136 -1.463 1.00 0.00 C ATOM 1113 CG GLU A 79 -15.661 0.959 -2.040 1.00 0.00 C ATOM 1114 CD GLU A 79 -17.111 0.935 -1.598 1.00 0.00 C ATOM 1115 OE1 GLU A 79 -17.382 1.307 -0.437 1.00 0.00 O ATOM 1116 OE2 GLU A 79 -17.974 0.545 -2.412 1.00 0.00 O ATOM 0 H GLU A 79 -13.569 0.185 -0.746 1.00 0.00 H new ATOM 0 HA GLU A 79 -13.176 2.082 -2.756 1.00 0.00 H new ATOM 0 HB2 GLU A 79 -15.090 2.199 -0.393 1.00 0.00 H new ATOM 0 HB3 GLU A 79 -15.265 3.057 -1.911 1.00 0.00 H new ATOM 0 HG2 GLU A 79 -15.618 1.000 -3.128 1.00 0.00 H new ATOM 0 HG3 GLU A 79 -15.177 0.030 -1.737 1.00 0.00 H new ATOM 1123 N GLU A 80 -12.533 3.166 0.294 1.00 0.00 N ATOM 1124 CA GLU A 80 -11.889 4.236 1.046 1.00 0.00 C ATOM 1125 C GLU A 80 -10.435 4.406 0.615 1.00 0.00 C ATOM 1126 O GLU A 80 -10.005 5.504 0.264 1.00 0.00 O ATOM 1127 CB GLU A 80 -11.957 3.947 2.547 1.00 0.00 C ATOM 1128 CG GLU A 80 -13.370 3.725 3.061 1.00 0.00 C ATOM 1129 CD GLU A 80 -14.085 5.023 3.381 1.00 0.00 C ATOM 1130 OE1 GLU A 80 -13.406 5.995 3.772 1.00 0.00 O ATOM 1131 OE2 GLU A 80 -15.326 5.066 3.242 1.00 0.00 O ATOM 0 H GLU A 80 -12.843 2.378 0.862 1.00 0.00 H new ATOM 0 HA GLU A 80 -12.422 5.163 0.837 1.00 0.00 H new ATOM 0 HB2 GLU A 80 -11.357 3.064 2.766 1.00 0.00 H new ATOM 0 HB3 GLU A 80 -11.509 4.779 3.089 1.00 0.00 H new ATOM 0 HG2 GLU A 80 -13.942 3.174 2.314 1.00 0.00 H new ATOM 0 HG3 GLU A 80 -13.334 3.104 3.956 1.00 0.00 H new ATOM 1138 N ALA A 81 -9.683 3.310 0.647 1.00 0.00 N ATOM 1139 CA ALA A 81 -8.278 3.336 0.259 1.00 0.00 C ATOM 1140 C ALA A 81 -8.092 4.040 -1.081 1.00 0.00 C ATOM 1141 O ALA A 81 -7.135 4.793 -1.271 1.00 0.00 O ATOM 1142 CB ALA A 81 -7.722 1.922 0.195 1.00 0.00 C ATOM 0 H ALA A 81 -10.024 2.393 0.938 1.00 0.00 H new ATOM 0 HA ALA A 81 -7.728 3.897 1.015 1.00 0.00 H new ATOM 0 HB1 ALA A 81 -6.672 1.957 -0.096 1.00 0.00 H new ATOM 0 HB2 ALA A 81 -7.812 1.451 1.174 1.00 0.00 H new ATOM 0 HB3 ALA A 81 -8.283 1.343 -0.539 1.00 0.00 H new ATOM 1148 N LEU A 82 -9.011 3.792 -2.008 1.00 0.00 N ATOM 1149 CA LEU A 82 -8.947 4.402 -3.331 1.00 0.00 C ATOM 1150 C LEU A 82 -8.936 5.924 -3.229 1.00 0.00 C ATOM 1151 O LEU A 82 -8.325 6.608 -4.051 1.00 0.00 O ATOM 1152 CB LEU A 82 -10.133 3.945 -4.182 1.00 0.00 C ATOM 1153 CG LEU A 82 -9.911 2.687 -5.023 1.00 0.00 C ATOM 1154 CD1 LEU A 82 -8.848 2.935 -6.083 1.00 0.00 C ATOM 1155 CD2 LEU A 82 -9.519 1.515 -4.136 1.00 0.00 C ATOM 0 H LEU A 82 -9.809 3.173 -1.868 1.00 0.00 H new ATOM 0 HA LEU A 82 -8.021 4.082 -3.808 1.00 0.00 H new ATOM 0 HB2 LEU A 82 -10.983 3.771 -3.522 1.00 0.00 H new ATOM 0 HB3 LEU A 82 -10.410 4.760 -4.850 1.00 0.00 H new ATOM 0 HG LEU A 82 -10.846 2.439 -5.526 1.00 0.00 H new ATOM 0 HD11 LEU A 82 -8.703 2.029 -6.672 1.00 0.00 H new ATOM 0 HD12 LEU A 82 -9.169 3.746 -6.737 1.00 0.00 H new ATOM 0 HD13 LEU A 82 -7.910 3.208 -5.600 1.00 0.00 H new ATOM 0 HD21 LEU A 82 -9.365 0.629 -4.751 1.00 0.00 H new ATOM 0 HD22 LEU A 82 -8.597 1.753 -3.605 1.00 0.00 H new ATOM 0 HD23 LEU A 82 -10.314 1.323 -3.415 1.00 0.00 H new ATOM 1167 N THR A 83 -9.615 6.449 -2.214 1.00 0.00 N ATOM 1168 CA THR A 83 -9.683 7.889 -2.003 1.00 0.00 C ATOM 1169 C THR A 83 -8.353 8.434 -1.495 1.00 0.00 C ATOM 1170 O THR A 83 -8.037 9.607 -1.693 1.00 0.00 O ATOM 1171 CB THR A 83 -10.793 8.259 -1.001 1.00 0.00 C ATOM 1172 OG1 THR A 83 -10.363 7.970 0.334 1.00 0.00 O ATOM 1173 CG2 THR A 83 -12.072 7.494 -1.303 1.00 0.00 C ATOM 0 H THR A 83 -10.126 5.897 -1.525 1.00 0.00 H new ATOM 0 HA THR A 83 -9.912 8.339 -2.969 1.00 0.00 H new ATOM 0 HB THR A 83 -10.996 9.326 -1.095 1.00 0.00 H new ATOM 0 HG1 THR A 83 -9.750 7.206 0.322 1.00 0.00 H new ATOM 0 HG21 THR A 83 -12.841 7.772 -0.582 1.00 0.00 H new ATOM 0 HG22 THR A 83 -12.413 7.738 -2.309 1.00 0.00 H new ATOM 0 HG23 THR A 83 -11.880 6.423 -1.234 1.00 0.00 H new ATOM 1181 N ILE A 84 -7.578 7.575 -0.842 1.00 0.00 N ATOM 1182 CA ILE A 84 -6.281 7.971 -0.308 1.00 0.00 C ATOM 1183 C ILE A 84 -5.429 8.645 -1.377 1.00 0.00 C ATOM 1184 O ILE A 84 -5.156 8.064 -2.428 1.00 0.00 O ATOM 1185 CB ILE A 84 -5.513 6.762 0.258 1.00 0.00 C ATOM 1186 CG1 ILE A 84 -6.277 6.149 1.433 1.00 0.00 C ATOM 1187 CG2 ILE A 84 -4.114 7.178 0.688 1.00 0.00 C ATOM 1188 CD1 ILE A 84 -5.626 4.903 1.993 1.00 0.00 C ATOM 0 H ILE A 84 -7.826 6.601 -0.670 1.00 0.00 H new ATOM 0 HA ILE A 84 -6.474 8.679 0.498 1.00 0.00 H new ATOM 0 HB ILE A 84 -5.423 6.009 -0.525 1.00 0.00 H new ATOM 0 HG12 ILE A 84 -6.364 6.891 2.226 1.00 0.00 H new ATOM 0 HG13 ILE A 84 -7.290 5.907 1.111 1.00 0.00 H new ATOM 0 HG21 ILE A 84 -3.583 6.313 1.086 1.00 0.00 H new ATOM 0 HG22 ILE A 84 -3.572 7.573 -0.171 1.00 0.00 H new ATOM 0 HG23 ILE A 84 -4.183 7.947 1.458 1.00 0.00 H new ATOM 0 HD11 ILE A 84 -6.222 4.523 2.823 1.00 0.00 H new ATOM 0 HD12 ILE A 84 -5.563 4.144 1.214 1.00 0.00 H new ATOM 0 HD13 ILE A 84 -4.623 5.144 2.346 1.00 0.00 H new ATOM 1200 N LYS A 85 -5.009 9.876 -1.102 1.00 0.00 N ATOM 1201 CA LYS A 85 -4.184 10.630 -2.038 1.00 0.00 C ATOM 1202 C LYS A 85 -2.721 10.615 -1.609 1.00 0.00 C ATOM 1203 O LYS A 85 -2.411 10.416 -0.435 1.00 0.00 O ATOM 1204 CB LYS A 85 -4.682 12.074 -2.139 1.00 0.00 C ATOM 1205 CG LYS A 85 -5.009 12.700 -0.795 1.00 0.00 C ATOM 1206 CD LYS A 85 -6.472 12.508 -0.431 1.00 0.00 C ATOM 1207 CE LYS A 85 -6.993 13.663 0.411 1.00 0.00 C ATOM 1208 NZ LYS A 85 -8.131 13.248 1.277 1.00 0.00 N ATOM 0 H LYS A 85 -5.227 10.372 -0.238 1.00 0.00 H new ATOM 0 HA LYS A 85 -4.262 10.155 -3.016 1.00 0.00 H new ATOM 0 HB2 LYS A 85 -3.923 12.677 -2.636 1.00 0.00 H new ATOM 0 HB3 LYS A 85 -5.572 12.099 -2.768 1.00 0.00 H new ATOM 0 HG2 LYS A 85 -4.380 12.256 -0.023 1.00 0.00 H new ATOM 0 HG3 LYS A 85 -4.777 13.765 -0.822 1.00 0.00 H new ATOM 0 HD2 LYS A 85 -7.066 12.423 -1.341 1.00 0.00 H new ATOM 0 HD3 LYS A 85 -6.592 11.574 0.117 1.00 0.00 H new ATOM 0 HE2 LYS A 85 -6.187 14.052 1.033 1.00 0.00 H new ATOM 0 HE3 LYS A 85 -7.311 14.475 -0.243 1.00 0.00 H new ATOM 0 HZ1 LYS A 85 -8.458 14.063 1.835 1.00 0.00 H new ATOM 0 HZ2 LYS A 85 -8.911 12.900 0.683 1.00 0.00 H new ATOM 0 HZ3 LYS A 85 -7.821 12.491 1.919 1.00 0.00 H new ATOM 1222 N ASN A 86 -1.825 10.828 -2.567 1.00 0.00 N ATOM 1223 CA ASN A 86 -0.394 10.840 -2.287 1.00 0.00 C ATOM 1224 C ASN A 86 0.022 12.155 -1.635 1.00 0.00 C ATOM 1225 O ASN A 86 0.948 12.194 -0.824 1.00 0.00 O ATOM 1226 CB ASN A 86 0.401 10.623 -3.576 1.00 0.00 C ATOM 1227 CG ASN A 86 0.651 11.917 -4.326 1.00 0.00 C ATOM 1228 OD1 ASN A 86 1.666 12.582 -4.119 1.00 0.00 O ATOM 1229 ND2 ASN A 86 -0.278 12.281 -5.204 1.00 0.00 N ATOM 0 H ASN A 86 -2.065 10.995 -3.544 1.00 0.00 H new ATOM 0 HA ASN A 86 -0.178 10.027 -1.594 1.00 0.00 H new ATOM 0 HB2 ASN A 86 1.356 10.155 -3.336 1.00 0.00 H new ATOM 0 HB3 ASN A 86 -0.140 9.931 -4.221 1.00 0.00 H new ATOM 0 HD21 ASN A 86 -0.165 13.142 -5.738 1.00 0.00 H new ATOM 0 HD22 ASN A 86 -1.104 11.699 -5.343 1.00 0.00 H new ATOM 1236 N THR A 87 -0.669 13.232 -1.995 1.00 0.00 N ATOM 1237 CA THR A 87 -0.372 14.550 -1.446 1.00 0.00 C ATOM 1238 C THR A 87 -0.488 14.551 0.074 1.00 0.00 C ATOM 1239 O THR A 87 0.362 15.106 0.770 1.00 0.00 O ATOM 1240 CB THR A 87 -1.314 15.624 -2.022 1.00 0.00 C ATOM 1241 OG1 THR A 87 -1.147 16.855 -1.310 1.00 0.00 O ATOM 1242 CG2 THR A 87 -2.765 15.174 -1.935 1.00 0.00 C ATOM 0 H THR A 87 -1.438 13.218 -2.664 1.00 0.00 H new ATOM 0 HA THR A 87 0.653 14.787 -1.730 1.00 0.00 H new ATOM 0 HB THR A 87 -1.059 15.775 -3.071 1.00 0.00 H new ATOM 0 HG1 THR A 87 -1.748 17.533 -1.683 1.00 0.00 H new ATOM 0 HG21 THR A 87 -3.412 15.949 -2.348 1.00 0.00 H new ATOM 0 HG22 THR A 87 -2.895 14.253 -2.503 1.00 0.00 H new ATOM 0 HG23 THR A 87 -3.030 14.998 -0.892 1.00 0.00 H new ATOM 1250 N ASP A 88 -1.544 13.926 0.582 1.00 0.00 N ATOM 1251 CA ASP A 88 -1.769 13.853 2.021 1.00 0.00 C ATOM 1252 C ASP A 88 -0.572 13.226 2.728 1.00 0.00 C ATOM 1253 O ASP A 88 -0.074 13.760 3.720 1.00 0.00 O ATOM 1254 CB ASP A 88 -3.034 13.047 2.321 1.00 0.00 C ATOM 1255 CG ASP A 88 -4.273 13.918 2.392 1.00 0.00 C ATOM 1256 OD1 ASP A 88 -4.256 15.021 1.807 1.00 0.00 O ATOM 1257 OD2 ASP A 88 -5.258 13.497 3.034 1.00 0.00 O ATOM 0 H ASP A 88 -2.258 13.463 0.019 1.00 0.00 H new ATOM 0 HA ASP A 88 -1.897 14.869 2.395 1.00 0.00 H new ATOM 0 HB2 ASP A 88 -3.170 12.289 1.549 1.00 0.00 H new ATOM 0 HB3 ASP A 88 -2.909 12.520 3.267 1.00 0.00 H new ATOM 1262 N ILE A 89 -0.115 12.089 2.212 1.00 0.00 N ATOM 1263 CA ILE A 89 1.023 11.390 2.794 1.00 0.00 C ATOM 1264 C ILE A 89 2.258 12.284 2.830 1.00 0.00 C ATOM 1265 O ILE A 89 2.766 12.616 3.901 1.00 0.00 O ATOM 1266 CB ILE A 89 1.355 10.106 2.012 1.00 0.00 C ATOM 1267 CG1 ILE A 89 0.162 9.149 2.030 1.00 0.00 C ATOM 1268 CG2 ILE A 89 2.589 9.434 2.595 1.00 0.00 C ATOM 1269 CD1 ILE A 89 0.318 7.971 1.093 1.00 0.00 C ATOM 0 H ILE A 89 -0.516 11.633 1.392 1.00 0.00 H new ATOM 0 HA ILE A 89 0.741 11.123 3.812 1.00 0.00 H new ATOM 0 HB ILE A 89 1.566 10.374 0.977 1.00 0.00 H new ATOM 0 HG12 ILE A 89 0.019 8.779 3.045 1.00 0.00 H new ATOM 0 HG13 ILE A 89 -0.739 9.700 1.761 1.00 0.00 H new ATOM 0 HG21 ILE A 89 2.810 8.528 2.031 1.00 0.00 H new ATOM 0 HG22 ILE A 89 3.437 10.116 2.534 1.00 0.00 H new ATOM 0 HG23 ILE A 89 2.405 9.176 3.638 1.00 0.00 H new ATOM 0 HD11 ILE A 89 -0.565 7.335 1.158 1.00 0.00 H new ATOM 0 HD12 ILE A 89 0.431 8.332 0.071 1.00 0.00 H new ATOM 0 HD13 ILE A 89 1.201 7.397 1.374 1.00 0.00 H new ATOM 1281 N ALA A 90 2.735 12.672 1.652 1.00 0.00 N ATOM 1282 CA ALA A 90 3.908 13.531 1.548 1.00 0.00 C ATOM 1283 C ALA A 90 3.942 14.553 2.678 1.00 0.00 C ATOM 1284 O ALA A 90 5.006 14.873 3.209 1.00 0.00 O ATOM 1285 CB ALA A 90 3.930 14.233 0.198 1.00 0.00 C ATOM 0 H ALA A 90 2.327 12.405 0.756 1.00 0.00 H new ATOM 0 HA ALA A 90 4.795 12.904 1.634 1.00 0.00 H new ATOM 0 HB1 ALA A 90 4.811 14.871 0.134 1.00 0.00 H new ATOM 0 HB2 ALA A 90 3.962 13.489 -0.598 1.00 0.00 H new ATOM 0 HB3 ALA A 90 3.032 14.842 0.090 1.00 0.00 H new ATOM 1291 N LYS A 91 2.771 15.064 3.043 1.00 0.00 N ATOM 1292 CA LYS A 91 2.665 16.051 4.111 1.00 0.00 C ATOM 1293 C LYS A 91 2.919 15.409 5.472 1.00 0.00 C ATOM 1294 O LYS A 91 3.823 15.816 6.200 1.00 0.00 O ATOM 1295 CB LYS A 91 1.282 16.705 4.095 1.00 0.00 C ATOM 1296 CG LYS A 91 1.250 18.078 4.742 1.00 0.00 C ATOM 1297 CD LYS A 91 -0.158 18.647 4.775 1.00 0.00 C ATOM 1298 CE LYS A 91 -0.150 20.139 5.074 1.00 0.00 C ATOM 1299 NZ LYS A 91 0.464 20.923 3.967 1.00 0.00 N ATOM 0 H LYS A 91 1.881 14.810 2.614 1.00 0.00 H new ATOM 0 HA LYS A 91 3.423 16.815 3.941 1.00 0.00 H new ATOM 0 HB2 LYS A 91 0.942 16.791 3.063 1.00 0.00 H new ATOM 0 HB3 LYS A 91 0.576 16.054 4.610 1.00 0.00 H new ATOM 0 HG2 LYS A 91 1.640 18.012 5.758 1.00 0.00 H new ATOM 0 HG3 LYS A 91 1.904 18.755 4.193 1.00 0.00 H new ATOM 0 HD2 LYS A 91 -0.646 18.470 3.816 1.00 0.00 H new ATOM 0 HD3 LYS A 91 -0.744 18.126 5.532 1.00 0.00 H new ATOM 0 HE2 LYS A 91 -1.171 20.482 5.239 1.00 0.00 H new ATOM 0 HE3 LYS A 91 0.400 20.322 5.997 1.00 0.00 H new ATOM 0 HZ1 LYS A 91 0.173 21.918 4.044 1.00 0.00 H new ATOM 0 HZ2 LYS A 91 1.500 20.860 4.030 1.00 0.00 H new ATOM 0 HZ3 LYS A 91 0.148 20.539 3.053 1.00 0.00 H new ATOM 1313 N GLU A 92 2.117 14.403 5.806 1.00 0.00 N ATOM 1314 CA GLU A 92 2.257 13.705 7.078 1.00 0.00 C ATOM 1315 C GLU A 92 3.723 13.405 7.376 1.00 0.00 C ATOM 1316 O GLU A 92 4.186 13.570 8.505 1.00 0.00 O ATOM 1317 CB GLU A 92 1.451 12.405 7.064 1.00 0.00 C ATOM 1318 CG GLU A 92 0.030 12.575 6.551 1.00 0.00 C ATOM 1319 CD GLU A 92 -0.551 13.935 6.883 1.00 0.00 C ATOM 1320 OE1 GLU A 92 -0.396 14.381 8.039 1.00 0.00 O ATOM 1321 OE2 GLU A 92 -1.161 14.554 5.986 1.00 0.00 O ATOM 0 H GLU A 92 1.364 14.053 5.213 1.00 0.00 H new ATOM 0 HA GLU A 92 1.870 14.354 7.863 1.00 0.00 H new ATOM 0 HB2 GLU A 92 1.968 11.674 6.442 1.00 0.00 H new ATOM 0 HB3 GLU A 92 1.417 11.997 8.074 1.00 0.00 H new ATOM 0 HG2 GLU A 92 0.018 12.433 5.470 1.00 0.00 H new ATOM 0 HG3 GLU A 92 -0.603 11.799 6.981 1.00 0.00 H new ATOM 1328 N LEU A 93 4.448 12.962 6.355 1.00 0.00 N ATOM 1329 CA LEU A 93 5.863 12.637 6.505 1.00 0.00 C ATOM 1330 C LEU A 93 6.731 13.872 6.288 1.00 0.00 C ATOM 1331 O LEU A 93 7.896 13.902 6.686 1.00 0.00 O ATOM 1332 CB LEU A 93 6.262 11.539 5.518 1.00 0.00 C ATOM 1333 CG LEU A 93 5.694 10.147 5.796 1.00 0.00 C ATOM 1334 CD1 LEU A 93 4.177 10.199 5.892 1.00 0.00 C ATOM 1335 CD2 LEU A 93 6.129 9.168 4.716 1.00 0.00 C ATOM 0 H LEU A 93 4.080 12.819 5.414 1.00 0.00 H new ATOM 0 HA LEU A 93 6.022 12.278 7.522 1.00 0.00 H new ATOM 0 HB2 LEU A 93 5.949 11.844 4.520 1.00 0.00 H new ATOM 0 HB3 LEU A 93 7.350 11.469 5.503 1.00 0.00 H new ATOM 0 HG LEU A 93 6.086 9.800 6.752 1.00 0.00 H new ATOM 0 HD11 LEU A 93 3.790 9.199 6.090 1.00 0.00 H new ATOM 0 HD12 LEU A 93 3.886 10.868 6.702 1.00 0.00 H new ATOM 0 HD13 LEU A 93 3.765 10.567 4.952 1.00 0.00 H new ATOM 0 HD21 LEU A 93 5.715 8.183 4.930 1.00 0.00 H new ATOM 0 HD22 LEU A 93 5.767 9.511 3.747 1.00 0.00 H new ATOM 0 HD23 LEU A 93 7.217 9.108 4.696 1.00 0.00 H new ATOM 1347 N CYS A 94 6.156 14.890 5.658 1.00 0.00 N ATOM 1348 CA CYS A 94 6.877 16.129 5.389 1.00 0.00 C ATOM 1349 C CYS A 94 8.162 15.853 4.616 1.00 0.00 C ATOM 1350 O CYS A 94 9.210 16.435 4.902 1.00 0.00 O ATOM 1351 CB CYS A 94 7.200 16.850 6.699 1.00 0.00 C ATOM 1352 SG CYS A 94 5.826 17.814 7.370 1.00 0.00 S ATOM 0 H CYS A 94 5.192 14.882 5.324 1.00 0.00 H new ATOM 0 HA CYS A 94 6.238 16.768 4.779 1.00 0.00 H new ATOM 0 HB2 CYS A 94 7.509 16.113 7.440 1.00 0.00 H new ATOM 0 HB3 CYS A 94 8.050 17.513 6.536 1.00 0.00 H new ATOM 0 HG CYS A 94 4.701 17.242 7.057 1.00 0.00 H new ATOM 1358 N LEU A 95 8.077 14.962 3.635 1.00 0.00 N ATOM 1359 CA LEU A 95 9.234 14.607 2.820 1.00 0.00 C ATOM 1360 C LEU A 95 9.560 15.716 1.826 1.00 0.00 C ATOM 1361 O LEU A 95 8.692 16.479 1.401 1.00 0.00 O ATOM 1362 CB LEU A 95 8.974 13.297 2.073 1.00 0.00 C ATOM 1363 CG LEU A 95 7.819 13.314 1.070 1.00 0.00 C ATOM 1364 CD1 LEU A 95 8.306 13.769 -0.297 1.00 0.00 C ATOM 1365 CD2 LEU A 95 7.173 11.940 0.978 1.00 0.00 C ATOM 0 H LEU A 95 7.219 14.472 3.384 1.00 0.00 H new ATOM 0 HA LEU A 95 10.089 14.476 3.484 1.00 0.00 H new ATOM 0 HB2 LEU A 95 9.885 13.017 1.543 1.00 0.00 H new ATOM 0 HB3 LEU A 95 8.779 12.516 2.808 1.00 0.00 H new ATOM 0 HG LEU A 95 7.069 14.023 1.420 1.00 0.00 H new ATOM 0 HD11 LEU A 95 7.471 13.775 -0.997 1.00 0.00 H new ATOM 0 HD12 LEU A 95 8.722 14.774 -0.219 1.00 0.00 H new ATOM 0 HD13 LEU A 95 9.075 13.085 -0.655 1.00 0.00 H new ATOM 0 HD21 LEU A 95 6.353 11.971 0.260 1.00 0.00 H new ATOM 0 HD22 LEU A 95 7.914 11.211 0.652 1.00 0.00 H new ATOM 0 HD23 LEU A 95 6.788 11.653 1.956 1.00 0.00 H new ATOM 1377 N PRO A 96 10.842 15.809 1.443 1.00 0.00 N ATOM 1378 CA PRO A 96 11.313 16.821 0.492 1.00 0.00 C ATOM 1379 C PRO A 96 10.807 16.565 -0.924 1.00 0.00 C ATOM 1380 O PRO A 96 10.239 15.516 -1.226 1.00 0.00 O ATOM 1381 CB PRO A 96 12.836 16.679 0.548 1.00 0.00 C ATOM 1382 CG PRO A 96 13.070 15.275 0.987 1.00 0.00 C ATOM 1383 CD PRO A 96 11.931 14.934 1.908 1.00 0.00 C ATOM 0 HA PRO A 96 10.954 17.818 0.747 1.00 0.00 H new ATOM 0 HB2 PRO A 96 13.287 16.870 -0.426 1.00 0.00 H new ATOM 0 HB3 PRO A 96 13.274 17.391 1.248 1.00 0.00 H new ATOM 0 HG2 PRO A 96 13.097 14.598 0.133 1.00 0.00 H new ATOM 0 HG3 PRO A 96 14.028 15.181 1.499 1.00 0.00 H new ATOM 0 HD2 PRO A 96 11.658 13.881 1.837 1.00 0.00 H new ATOM 0 HD3 PRO A 96 12.185 15.128 2.950 1.00 0.00 H new ATOM 1391 N PRO A 97 11.016 17.547 -1.814 1.00 0.00 N ATOM 1392 CA PRO A 97 10.589 17.451 -3.213 1.00 0.00 C ATOM 1393 C PRO A 97 11.404 16.430 -3.999 1.00 0.00 C ATOM 1394 O PRO A 97 11.029 16.040 -5.105 1.00 0.00 O ATOM 1395 CB PRO A 97 10.832 18.861 -3.755 1.00 0.00 C ATOM 1396 CG PRO A 97 11.904 19.422 -2.886 1.00 0.00 C ATOM 1397 CD PRO A 97 11.686 18.825 -1.523 1.00 0.00 C ATOM 0 HA PRO A 97 9.555 17.118 -3.302 1.00 0.00 H new ATOM 0 HB2 PRO A 97 11.142 18.835 -4.800 1.00 0.00 H new ATOM 0 HB3 PRO A 97 9.926 19.465 -3.706 1.00 0.00 H new ATOM 0 HG2 PRO A 97 12.892 19.167 -3.270 1.00 0.00 H new ATOM 0 HG3 PRO A 97 11.847 20.510 -2.849 1.00 0.00 H new ATOM 0 HD2 PRO A 97 12.628 18.674 -0.995 1.00 0.00 H new ATOM 0 HD3 PRO A 97 11.069 19.469 -0.896 1.00 0.00 H new ATOM 1405 N VAL A 98 12.522 16.000 -3.422 1.00 0.00 N ATOM 1406 CA VAL A 98 13.389 15.023 -4.068 1.00 0.00 C ATOM 1407 C VAL A 98 12.913 13.600 -3.797 1.00 0.00 C ATOM 1408 O VAL A 98 13.092 12.705 -4.623 1.00 0.00 O ATOM 1409 CB VAL A 98 14.847 15.165 -3.591 1.00 0.00 C ATOM 1410 CG1 VAL A 98 14.956 14.850 -2.107 1.00 0.00 C ATOM 1411 CG2 VAL A 98 15.763 14.263 -4.404 1.00 0.00 C ATOM 0 H VAL A 98 12.848 16.314 -2.508 1.00 0.00 H new ATOM 0 HA VAL A 98 13.344 15.219 -5.139 1.00 0.00 H new ATOM 0 HB VAL A 98 15.162 16.197 -3.743 1.00 0.00 H new ATOM 0 HG11 VAL A 98 15.993 14.955 -1.788 1.00 0.00 H new ATOM 0 HG12 VAL A 98 14.330 15.541 -1.542 1.00 0.00 H new ATOM 0 HG13 VAL A 98 14.623 13.828 -1.927 1.00 0.00 H new ATOM 0 HG21 VAL A 98 16.789 14.376 -4.054 1.00 0.00 H new ATOM 0 HG22 VAL A 98 15.451 13.225 -4.285 1.00 0.00 H new ATOM 0 HG23 VAL A 98 15.706 14.541 -5.457 1.00 0.00 H new ATOM 1421 N LYS A 99 12.305 13.398 -2.633 1.00 0.00 N ATOM 1422 CA LYS A 99 11.800 12.085 -2.251 1.00 0.00 C ATOM 1423 C LYS A 99 10.304 11.975 -2.529 1.00 0.00 C ATOM 1424 O LYS A 99 9.594 11.213 -1.871 1.00 0.00 O ATOM 1425 CB LYS A 99 12.075 11.821 -0.769 1.00 0.00 C ATOM 1426 CG LYS A 99 13.544 11.920 -0.396 1.00 0.00 C ATOM 1427 CD LYS A 99 14.372 10.861 -1.105 1.00 0.00 C ATOM 1428 CE LYS A 99 15.830 10.916 -0.678 1.00 0.00 C ATOM 1429 NZ LYS A 99 16.018 10.436 0.720 1.00 0.00 N ATOM 0 H LYS A 99 12.150 14.128 -1.937 1.00 0.00 H new ATOM 0 HA LYS A 99 12.319 11.336 -2.849 1.00 0.00 H new ATOM 0 HB2 LYS A 99 11.508 12.534 -0.170 1.00 0.00 H new ATOM 0 HB3 LYS A 99 11.710 10.827 -0.512 1.00 0.00 H new ATOM 0 HG2 LYS A 99 13.920 12.910 -0.654 1.00 0.00 H new ATOM 0 HG3 LYS A 99 13.655 11.808 0.683 1.00 0.00 H new ATOM 0 HD2 LYS A 99 13.965 9.873 -0.888 1.00 0.00 H new ATOM 0 HD3 LYS A 99 14.302 11.004 -2.183 1.00 0.00 H new ATOM 0 HE2 LYS A 99 16.430 10.307 -1.355 1.00 0.00 H new ATOM 0 HE3 LYS A 99 16.195 11.940 -0.763 1.00 0.00 H new ATOM 0 HZ1 LYS A 99 16.414 11.203 1.300 1.00 0.00 H new ATOM 0 HZ2 LYS A 99 15.101 10.143 1.113 1.00 0.00 H new ATOM 0 HZ3 LYS A 99 16.671 9.626 0.724 1.00 0.00 H new ATOM 1443 N LEU A 100 9.831 12.739 -3.507 1.00 0.00 N ATOM 1444 CA LEU A 100 8.419 12.727 -3.873 1.00 0.00 C ATOM 1445 C LEU A 100 8.026 11.385 -4.484 1.00 0.00 C ATOM 1446 O LEU A 100 7.002 10.804 -4.125 1.00 0.00 O ATOM 1447 CB LEU A 100 8.117 13.856 -4.859 1.00 0.00 C ATOM 1448 CG LEU A 100 7.749 15.206 -4.242 1.00 0.00 C ATOM 1449 CD1 LEU A 100 7.720 16.290 -5.308 1.00 0.00 C ATOM 1450 CD2 LEU A 100 6.407 15.118 -3.531 1.00 0.00 C ATOM 0 H LEU A 100 10.405 13.375 -4.061 1.00 0.00 H new ATOM 0 HA LEU A 100 7.833 12.879 -2.966 1.00 0.00 H new ATOM 0 HB2 LEU A 100 8.989 13.997 -5.497 1.00 0.00 H new ATOM 0 HB3 LEU A 100 7.298 13.539 -5.504 1.00 0.00 H new ATOM 0 HG LEU A 100 8.510 15.469 -3.508 1.00 0.00 H new ATOM 0 HD11 LEU A 100 7.456 17.243 -4.850 1.00 0.00 H new ATOM 0 HD12 LEU A 100 8.703 16.370 -5.772 1.00 0.00 H new ATOM 0 HD13 LEU A 100 6.980 16.035 -6.066 1.00 0.00 H new ATOM 0 HD21 LEU A 100 6.161 16.087 -3.098 1.00 0.00 H new ATOM 0 HD22 LEU A 100 5.635 14.833 -4.245 1.00 0.00 H new ATOM 0 HD23 LEU A 100 6.463 14.371 -2.740 1.00 0.00 H new ATOM 1462 N HIS A 101 8.849 10.898 -5.407 1.00 0.00 N ATOM 1463 CA HIS A 101 8.589 9.622 -6.066 1.00 0.00 C ATOM 1464 C HIS A 101 8.010 8.610 -5.081 1.00 0.00 C ATOM 1465 O HIS A 101 7.214 7.750 -5.458 1.00 0.00 O ATOM 1466 CB HIS A 101 9.875 9.072 -6.683 1.00 0.00 C ATOM 1467 CG HIS A 101 10.911 8.692 -5.670 1.00 0.00 C ATOM 1468 ND1 HIS A 101 11.858 9.574 -5.195 1.00 0.00 N ATOM 1469 CD2 HIS A 101 11.144 7.517 -5.040 1.00 0.00 C ATOM 1470 CE1 HIS A 101 12.630 8.958 -4.318 1.00 0.00 C ATOM 1471 NE2 HIS A 101 12.218 7.708 -4.206 1.00 0.00 N ATOM 0 H HIS A 101 9.701 11.367 -5.716 1.00 0.00 H new ATOM 0 HA HIS A 101 7.859 9.791 -6.857 1.00 0.00 H new ATOM 0 HB2 HIS A 101 9.633 8.198 -7.288 1.00 0.00 H new ATOM 0 HB3 HIS A 101 10.294 9.820 -7.356 1.00 0.00 H new ATOM 0 HD1 HIS A 101 11.948 10.550 -5.477 1.00 0.00 H new ATOM 0 HD2 HIS A 101 10.589 6.600 -5.169 1.00 0.00 H new ATOM 0 HE1 HIS A 101 13.457 9.401 -3.783 1.00 0.00 H new ATOM 1479 N CYS A 102 8.416 8.720 -3.821 1.00 0.00 N ATOM 1480 CA CYS A 102 7.938 7.813 -2.783 1.00 0.00 C ATOM 1481 C CYS A 102 6.480 8.101 -2.438 1.00 0.00 C ATOM 1482 O CYS A 102 5.660 7.187 -2.351 1.00 0.00 O ATOM 1483 CB CYS A 102 8.805 7.937 -1.530 1.00 0.00 C ATOM 1484 SG CYS A 102 10.465 7.242 -1.709 1.00 0.00 S ATOM 0 H CYS A 102 9.074 9.427 -3.494 1.00 0.00 H new ATOM 0 HA CYS A 102 8.008 6.794 -3.165 1.00 0.00 H new ATOM 0 HB2 CYS A 102 8.891 8.990 -1.263 1.00 0.00 H new ATOM 0 HB3 CYS A 102 8.301 7.438 -0.702 1.00 0.00 H new ATOM 0 HG CYS A 102 11.107 7.886 -2.638 1.00 0.00 H new ATOM 1490 N SER A 103 6.165 9.377 -2.241 1.00 0.00 N ATOM 1491 CA SER A 103 4.808 9.786 -1.900 1.00 0.00 C ATOM 1492 C SER A 103 3.789 9.087 -2.796 1.00 0.00 C ATOM 1493 O SER A 103 2.912 8.370 -2.314 1.00 0.00 O ATOM 1494 CB SER A 103 4.661 11.303 -2.029 1.00 0.00 C ATOM 1495 OG SER A 103 4.520 11.688 -3.386 1.00 0.00 O ATOM 0 H SER A 103 6.832 10.146 -2.312 1.00 0.00 H new ATOM 0 HA SER A 103 4.617 9.497 -0.867 1.00 0.00 H new ATOM 0 HB2 SER A 103 3.793 11.637 -1.461 1.00 0.00 H new ATOM 0 HB3 SER A 103 5.533 11.794 -1.597 1.00 0.00 H new ATOM 0 HG SER A 103 5.368 11.547 -3.856 1.00 0.00 H new ATOM 1501 N MET A 104 3.913 9.302 -4.101 1.00 0.00 N ATOM 1502 CA MET A 104 3.004 8.692 -5.065 1.00 0.00 C ATOM 1503 C MET A 104 3.120 7.171 -5.035 1.00 0.00 C ATOM 1504 O MET A 104 2.124 6.459 -5.173 1.00 0.00 O ATOM 1505 CB MET A 104 3.298 9.210 -6.474 1.00 0.00 C ATOM 1506 CG MET A 104 4.780 9.242 -6.813 1.00 0.00 C ATOM 1507 SD MET A 104 5.526 10.856 -6.515 1.00 0.00 S ATOM 1508 CE MET A 104 4.545 11.888 -7.603 1.00 0.00 C ATOM 0 H MET A 104 4.633 9.893 -4.516 1.00 0.00 H new ATOM 0 HA MET A 104 1.986 8.966 -4.790 1.00 0.00 H new ATOM 0 HB2 MET A 104 2.781 8.581 -7.199 1.00 0.00 H new ATOM 0 HB3 MET A 104 2.889 10.215 -6.576 1.00 0.00 H new ATOM 0 HG2 MET A 104 5.301 8.490 -6.220 1.00 0.00 H new ATOM 0 HG3 MET A 104 4.915 8.971 -7.860 1.00 0.00 H new ATOM 0 HE1 MET A 104 5.159 12.706 -7.980 1.00 0.00 H new ATOM 0 HE2 MET A 104 4.182 11.292 -8.440 1.00 0.00 H new ATOM 0 HE3 MET A 104 3.697 12.294 -7.052 1.00 0.00 H new ATOM 1518 N LEU A 105 4.341 6.679 -4.855 1.00 0.00 N ATOM 1519 CA LEU A 105 4.587 5.242 -4.807 1.00 0.00 C ATOM 1520 C LEU A 105 3.691 4.570 -3.771 1.00 0.00 C ATOM 1521 O LEU A 105 3.229 3.447 -3.971 1.00 0.00 O ATOM 1522 CB LEU A 105 6.056 4.967 -4.482 1.00 0.00 C ATOM 1523 CG LEU A 105 6.562 3.559 -4.799 1.00 0.00 C ATOM 1524 CD1 LEU A 105 6.768 3.390 -6.296 1.00 0.00 C ATOM 1525 CD2 LEU A 105 7.852 3.273 -4.045 1.00 0.00 C ATOM 0 H LEU A 105 5.176 7.254 -4.740 1.00 0.00 H new ATOM 0 HA LEU A 105 4.354 4.826 -5.787 1.00 0.00 H new ATOM 0 HB2 LEU A 105 6.669 5.683 -5.029 1.00 0.00 H new ATOM 0 HB3 LEU A 105 6.214 5.158 -3.421 1.00 0.00 H new ATOM 0 HG LEU A 105 5.809 2.841 -4.474 1.00 0.00 H new ATOM 0 HD11 LEU A 105 7.128 2.382 -6.502 1.00 0.00 H new ATOM 0 HD12 LEU A 105 5.822 3.550 -6.814 1.00 0.00 H new ATOM 0 HD13 LEU A 105 7.501 4.116 -6.647 1.00 0.00 H new ATOM 0 HD21 LEU A 105 8.197 2.267 -4.283 1.00 0.00 H new ATOM 0 HD22 LEU A 105 8.613 3.996 -4.338 1.00 0.00 H new ATOM 0 HD23 LEU A 105 7.672 3.351 -2.973 1.00 0.00 H new ATOM 1537 N ALA A 106 3.449 5.266 -2.665 1.00 0.00 N ATOM 1538 CA ALA A 106 2.606 4.739 -1.600 1.00 0.00 C ATOM 1539 C ALA A 106 1.166 4.570 -2.073 1.00 0.00 C ATOM 1540 O ALA A 106 0.524 3.561 -1.786 1.00 0.00 O ATOM 1541 CB ALA A 106 2.660 5.651 -0.383 1.00 0.00 C ATOM 0 H ALA A 106 3.825 6.197 -2.484 1.00 0.00 H new ATOM 0 HA ALA A 106 2.987 3.757 -1.321 1.00 0.00 H new ATOM 0 HB1 ALA A 106 2.025 5.245 0.405 1.00 0.00 H new ATOM 0 HB2 ALA A 106 3.687 5.718 -0.023 1.00 0.00 H new ATOM 0 HB3 ALA A 106 2.306 6.645 -0.657 1.00 0.00 H new ATOM 1547 N GLU A 107 0.665 5.565 -2.798 1.00 0.00 N ATOM 1548 CA GLU A 107 -0.700 5.526 -3.309 1.00 0.00 C ATOM 1549 C GLU A 107 -0.827 4.514 -4.444 1.00 0.00 C ATOM 1550 O GLU A 107 -1.667 3.615 -4.398 1.00 0.00 O ATOM 1551 CB GLU A 107 -1.126 6.912 -3.797 1.00 0.00 C ATOM 1552 CG GLU A 107 -2.495 6.931 -4.457 1.00 0.00 C ATOM 1553 CD GLU A 107 -2.630 8.035 -5.487 1.00 0.00 C ATOM 1554 OE1 GLU A 107 -2.305 9.196 -5.161 1.00 0.00 O ATOM 1555 OE2 GLU A 107 -3.061 7.738 -6.621 1.00 0.00 O ATOM 0 H GLU A 107 1.184 6.408 -3.045 1.00 0.00 H new ATOM 0 HA GLU A 107 -1.356 5.218 -2.495 1.00 0.00 H new ATOM 0 HB2 GLU A 107 -1.130 7.600 -2.952 1.00 0.00 H new ATOM 0 HB3 GLU A 107 -0.385 7.282 -4.506 1.00 0.00 H new ATOM 0 HG2 GLU A 107 -2.677 5.969 -4.935 1.00 0.00 H new ATOM 0 HG3 GLU A 107 -3.261 7.057 -3.692 1.00 0.00 H new ATOM 1562 N ASP A 108 0.012 4.667 -5.462 1.00 0.00 N ATOM 1563 CA ASP A 108 -0.005 3.768 -6.610 1.00 0.00 C ATOM 1564 C ASP A 108 -0.064 2.312 -6.158 1.00 0.00 C ATOM 1565 O ASP A 108 -0.697 1.477 -6.803 1.00 0.00 O ATOM 1566 CB ASP A 108 1.231 3.994 -7.481 1.00 0.00 C ATOM 1567 CG ASP A 108 1.152 5.284 -8.274 1.00 0.00 C ATOM 1568 OD1 ASP A 108 0.583 5.263 -9.386 1.00 0.00 O ATOM 1569 OD2 ASP A 108 1.659 6.314 -7.783 1.00 0.00 O ATOM 0 H ASP A 108 0.713 5.406 -5.516 1.00 0.00 H new ATOM 0 HA ASP A 108 -0.898 3.985 -7.197 1.00 0.00 H new ATOM 0 HB2 ASP A 108 2.119 4.013 -6.849 1.00 0.00 H new ATOM 0 HB3 ASP A 108 1.347 3.155 -8.168 1.00 0.00 H new ATOM 1574 N ALA A 109 0.600 2.015 -5.046 1.00 0.00 N ATOM 1575 CA ALA A 109 0.623 0.661 -4.507 1.00 0.00 C ATOM 1576 C ALA A 109 -0.751 0.256 -3.983 1.00 0.00 C ATOM 1577 O ALA A 109 -1.220 -0.854 -4.236 1.00 0.00 O ATOM 1578 CB ALA A 109 1.665 0.548 -3.404 1.00 0.00 C ATOM 0 H ALA A 109 1.130 2.695 -4.500 1.00 0.00 H new ATOM 0 HA ALA A 109 0.891 -0.020 -5.315 1.00 0.00 H new ATOM 0 HB1 ALA A 109 1.670 -0.469 -3.011 1.00 0.00 H new ATOM 0 HB2 ALA A 109 2.649 0.786 -3.807 1.00 0.00 H new ATOM 0 HB3 ALA A 109 1.423 1.245 -2.602 1.00 0.00 H new ATOM 1584 N ILE A 110 -1.391 1.162 -3.251 1.00 0.00 N ATOM 1585 CA ILE A 110 -2.711 0.899 -2.692 1.00 0.00 C ATOM 1586 C ILE A 110 -3.716 0.567 -3.789 1.00 0.00 C ATOM 1587 O ILE A 110 -4.256 -0.538 -3.839 1.00 0.00 O ATOM 1588 CB ILE A 110 -3.229 2.102 -1.882 1.00 0.00 C ATOM 1589 CG1 ILE A 110 -2.333 2.352 -0.668 1.00 0.00 C ATOM 1590 CG2 ILE A 110 -4.668 1.866 -1.446 1.00 0.00 C ATOM 1591 CD1 ILE A 110 -2.308 3.797 -0.223 1.00 0.00 C ATOM 0 H ILE A 110 -1.016 2.085 -3.031 1.00 0.00 H new ATOM 0 HA ILE A 110 -2.607 0.042 -2.027 1.00 0.00 H new ATOM 0 HB ILE A 110 -3.202 2.987 -2.517 1.00 0.00 H new ATOM 0 HG12 ILE A 110 -2.675 1.731 0.160 1.00 0.00 H new ATOM 0 HG13 ILE A 110 -1.317 2.036 -0.905 1.00 0.00 H new ATOM 0 HG21 ILE A 110 -5.020 2.725 -0.874 1.00 0.00 H new ATOM 0 HG22 ILE A 110 -5.297 1.732 -2.326 1.00 0.00 H new ATOM 0 HG23 ILE A 110 -4.718 0.972 -0.825 1.00 0.00 H new ATOM 0 HD11 ILE A 110 -1.653 3.900 0.642 1.00 0.00 H new ATOM 0 HD12 ILE A 110 -1.937 4.422 -1.036 1.00 0.00 H new ATOM 0 HD13 ILE A 110 -3.316 4.112 0.046 1.00 0.00 H new ATOM 1603 N LYS A 111 -3.963 1.531 -4.670 1.00 0.00 N ATOM 1604 CA LYS A 111 -4.901 1.342 -5.769 1.00 0.00 C ATOM 1605 C LYS A 111 -4.663 0.005 -6.464 1.00 0.00 C ATOM 1606 O LYS A 111 -5.589 -0.787 -6.639 1.00 0.00 O ATOM 1607 CB LYS A 111 -4.770 2.484 -6.780 1.00 0.00 C ATOM 1608 CG LYS A 111 -5.579 3.716 -6.414 1.00 0.00 C ATOM 1609 CD LYS A 111 -4.768 4.685 -5.569 1.00 0.00 C ATOM 1610 CE LYS A 111 -5.635 5.807 -5.020 1.00 0.00 C ATOM 1611 NZ LYS A 111 -5.743 6.943 -5.977 1.00 0.00 N ATOM 0 H LYS A 111 -3.526 2.452 -4.643 1.00 0.00 H new ATOM 0 HA LYS A 111 -5.910 1.343 -5.357 1.00 0.00 H new ATOM 0 HB2 LYS A 111 -3.720 2.762 -6.867 1.00 0.00 H new ATOM 0 HB3 LYS A 111 -5.088 2.129 -7.760 1.00 0.00 H new ATOM 0 HG2 LYS A 111 -5.913 4.216 -7.323 1.00 0.00 H new ATOM 0 HG3 LYS A 111 -6.473 3.416 -5.868 1.00 0.00 H new ATOM 0 HD2 LYS A 111 -4.302 4.147 -4.744 1.00 0.00 H new ATOM 0 HD3 LYS A 111 -3.963 5.107 -6.170 1.00 0.00 H new ATOM 0 HE2 LYS A 111 -6.631 5.422 -4.799 1.00 0.00 H new ATOM 0 HE3 LYS A 111 -5.215 6.163 -4.079 1.00 0.00 H new ATOM 0 HZ1 LYS A 111 -6.053 7.796 -5.469 1.00 0.00 H new ATOM 0 HZ2 LYS A 111 -4.816 7.118 -6.414 1.00 0.00 H new ATOM 0 HZ3 LYS A 111 -6.436 6.709 -6.716 1.00 0.00 H new ATOM 1625 N ALA A 112 -3.417 -0.240 -6.855 1.00 0.00 N ATOM 1626 CA ALA A 112 -3.058 -1.483 -7.527 1.00 0.00 C ATOM 1627 C ALA A 112 -3.592 -2.692 -6.767 1.00 0.00 C ATOM 1628 O ALA A 112 -4.049 -3.663 -7.369 1.00 0.00 O ATOM 1629 CB ALA A 112 -1.548 -1.581 -7.683 1.00 0.00 C ATOM 0 H ALA A 112 -2.639 0.406 -6.718 1.00 0.00 H new ATOM 0 HA ALA A 112 -3.515 -1.477 -8.516 1.00 0.00 H new ATOM 0 HB1 ALA A 112 -1.294 -2.514 -8.186 1.00 0.00 H new ATOM 0 HB2 ALA A 112 -1.188 -0.740 -8.275 1.00 0.00 H new ATOM 0 HB3 ALA A 112 -1.078 -1.560 -6.700 1.00 0.00 H new ATOM 1635 N ALA A 113 -3.531 -2.626 -5.441 1.00 0.00 N ATOM 1636 CA ALA A 113 -4.010 -3.715 -4.599 1.00 0.00 C ATOM 1637 C ALA A 113 -5.506 -3.940 -4.791 1.00 0.00 C ATOM 1638 O ALA A 113 -5.924 -4.955 -5.350 1.00 0.00 O ATOM 1639 CB ALA A 113 -3.702 -3.426 -3.137 1.00 0.00 C ATOM 0 H ALA A 113 -3.154 -1.830 -4.927 1.00 0.00 H new ATOM 0 HA ALA A 113 -3.491 -4.626 -4.896 1.00 0.00 H new ATOM 0 HB1 ALA A 113 -4.065 -4.247 -2.519 1.00 0.00 H new ATOM 0 HB2 ALA A 113 -2.625 -3.322 -3.006 1.00 0.00 H new ATOM 0 HB3 ALA A 113 -4.195 -2.501 -2.837 1.00 0.00 H new ATOM 1645 N LEU A 114 -6.308 -2.989 -4.324 1.00 0.00 N ATOM 1646 CA LEU A 114 -7.758 -3.085 -4.445 1.00 0.00 C ATOM 1647 C LEU A 114 -8.160 -3.532 -5.847 1.00 0.00 C ATOM 1648 O LEU A 114 -8.894 -4.506 -6.012 1.00 0.00 O ATOM 1649 CB LEU A 114 -8.406 -1.737 -4.122 1.00 0.00 C ATOM 1650 CG LEU A 114 -8.095 -1.157 -2.742 1.00 0.00 C ATOM 1651 CD1 LEU A 114 -7.855 -2.271 -1.735 1.00 0.00 C ATOM 1652 CD2 LEU A 114 -6.889 -0.231 -2.813 1.00 0.00 C ATOM 0 H LEU A 114 -5.979 -2.143 -3.858 1.00 0.00 H new ATOM 0 HA LEU A 114 -8.109 -3.831 -3.732 1.00 0.00 H new ATOM 0 HB2 LEU A 114 -8.092 -1.016 -4.876 1.00 0.00 H new ATOM 0 HB3 LEU A 114 -9.487 -1.845 -4.214 1.00 0.00 H new ATOM 0 HG LEU A 114 -8.956 -0.576 -2.411 1.00 0.00 H new ATOM 0 HD11 LEU A 114 -7.635 -1.838 -0.759 1.00 0.00 H new ATOM 0 HD12 LEU A 114 -8.746 -2.895 -1.663 1.00 0.00 H new ATOM 0 HD13 LEU A 114 -7.011 -2.880 -2.060 1.00 0.00 H new ATOM 0 HD21 LEU A 114 -6.682 0.173 -1.822 1.00 0.00 H new ATOM 0 HD22 LEU A 114 -6.022 -0.789 -3.166 1.00 0.00 H new ATOM 0 HD23 LEU A 114 -7.099 0.587 -3.502 1.00 0.00 H new ATOM 1664 N ALA A 115 -7.673 -2.814 -6.854 1.00 0.00 N ATOM 1665 CA ALA A 115 -7.978 -3.140 -8.241 1.00 0.00 C ATOM 1666 C ALA A 115 -7.768 -4.625 -8.516 1.00 0.00 C ATOM 1667 O ALA A 115 -8.717 -5.351 -8.813 1.00 0.00 O ATOM 1668 CB ALA A 115 -7.122 -2.302 -9.180 1.00 0.00 C ATOM 0 H ALA A 115 -7.066 -2.003 -6.735 1.00 0.00 H new ATOM 0 HA ALA A 115 -9.028 -2.909 -8.420 1.00 0.00 H new ATOM 0 HB1 ALA A 115 -7.360 -2.556 -10.213 1.00 0.00 H new ATOM 0 HB2 ALA A 115 -7.324 -1.244 -9.010 1.00 0.00 H new ATOM 0 HB3 ALA A 115 -6.068 -2.505 -8.990 1.00 0.00 H new ATOM 1674 N ASP A 116 -6.521 -5.070 -8.415 1.00 0.00 N ATOM 1675 CA ASP A 116 -6.187 -6.470 -8.652 1.00 0.00 C ATOM 1676 C ASP A 116 -7.210 -7.391 -7.994 1.00 0.00 C ATOM 1677 O ASP A 116 -7.725 -8.314 -8.625 1.00 0.00 O ATOM 1678 CB ASP A 116 -4.787 -6.780 -8.121 1.00 0.00 C ATOM 1679 CG ASP A 116 -4.169 -7.992 -8.789 1.00 0.00 C ATOM 1680 OD1 ASP A 116 -4.926 -8.807 -9.358 1.00 0.00 O ATOM 1681 OD2 ASP A 116 -2.929 -8.127 -8.743 1.00 0.00 O ATOM 0 H ASP A 116 -5.724 -4.482 -8.171 1.00 0.00 H new ATOM 0 HA ASP A 116 -6.205 -6.645 -9.728 1.00 0.00 H new ATOM 0 HB2 ASP A 116 -4.143 -5.915 -8.277 1.00 0.00 H new ATOM 0 HB3 ASP A 116 -4.839 -6.949 -7.045 1.00 0.00 H new ATOM 1686 N TYR A 117 -7.497 -7.136 -6.723 1.00 0.00 N ATOM 1687 CA TYR A 117 -8.455 -7.944 -5.978 1.00 0.00 C ATOM 1688 C TYR A 117 -9.811 -7.965 -6.678 1.00 0.00 C ATOM 1689 O TYR A 117 -10.421 -9.021 -6.845 1.00 0.00 O ATOM 1690 CB TYR A 117 -8.611 -7.405 -4.555 1.00 0.00 C ATOM 1691 CG TYR A 117 -9.956 -7.712 -3.936 1.00 0.00 C ATOM 1692 CD1 TYR A 117 -10.202 -8.939 -3.332 1.00 0.00 C ATOM 1693 CD2 TYR A 117 -10.981 -6.774 -3.954 1.00 0.00 C ATOM 1694 CE1 TYR A 117 -11.430 -9.223 -2.766 1.00 0.00 C ATOM 1695 CE2 TYR A 117 -12.212 -7.049 -3.389 1.00 0.00 C ATOM 1696 CZ TYR A 117 -12.431 -8.275 -2.797 1.00 0.00 C ATOM 1697 OH TYR A 117 -13.655 -8.554 -2.233 1.00 0.00 O ATOM 0 H TYR A 117 -7.080 -6.376 -6.186 1.00 0.00 H new ATOM 0 HA TYR A 117 -8.074 -8.964 -5.933 1.00 0.00 H new ATOM 0 HB2 TYR A 117 -7.826 -7.828 -3.927 1.00 0.00 H new ATOM 0 HB3 TYR A 117 -8.463 -6.325 -4.566 1.00 0.00 H new ATOM 0 HD1 TYR A 117 -9.420 -9.683 -3.305 1.00 0.00 H new ATOM 0 HD2 TYR A 117 -10.813 -5.813 -4.418 1.00 0.00 H new ATOM 0 HE1 TYR A 117 -11.605 -10.182 -2.302 1.00 0.00 H new ATOM 0 HE2 TYR A 117 -12.998 -6.308 -3.411 1.00 0.00 H new ATOM 0 HH TYR A 117 -14.248 -7.781 -2.339 1.00 0.00 H new ATOM 1707 N LYS A 118 -10.276 -6.789 -7.086 1.00 0.00 N ATOM 1708 CA LYS A 118 -11.559 -6.669 -7.770 1.00 0.00 C ATOM 1709 C LYS A 118 -11.564 -7.481 -9.061 1.00 0.00 C ATOM 1710 O LYS A 118 -12.510 -8.221 -9.337 1.00 0.00 O ATOM 1711 CB LYS A 118 -11.861 -5.201 -8.076 1.00 0.00 C ATOM 1712 CG LYS A 118 -12.148 -4.368 -6.839 1.00 0.00 C ATOM 1713 CD LYS A 118 -11.809 -2.904 -7.061 1.00 0.00 C ATOM 1714 CE LYS A 118 -11.559 -2.183 -5.745 1.00 0.00 C ATOM 1715 NZ LYS A 118 -12.817 -1.638 -5.164 1.00 0.00 N ATOM 0 H LYS A 118 -9.784 -5.905 -6.955 1.00 0.00 H new ATOM 0 HA LYS A 118 -12.333 -7.062 -7.111 1.00 0.00 H new ATOM 0 HB2 LYS A 118 -11.013 -4.768 -8.607 1.00 0.00 H new ATOM 0 HB3 LYS A 118 -12.719 -5.147 -8.747 1.00 0.00 H new ATOM 0 HG2 LYS A 118 -13.201 -4.462 -6.572 1.00 0.00 H new ATOM 0 HG3 LYS A 118 -11.570 -4.753 -5.998 1.00 0.00 H new ATOM 0 HD2 LYS A 118 -10.924 -2.826 -7.693 1.00 0.00 H new ATOM 0 HD3 LYS A 118 -12.626 -2.417 -7.594 1.00 0.00 H new ATOM 0 HE2 LYS A 118 -11.099 -2.871 -5.035 1.00 0.00 H new ATOM 0 HE3 LYS A 118 -10.851 -1.370 -5.905 1.00 0.00 H new ATOM 0 HZ1 LYS A 118 -12.587 -0.987 -4.386 1.00 0.00 H new ATOM 0 HZ2 LYS A 118 -13.345 -1.126 -5.899 1.00 0.00 H new ATOM 0 HZ3 LYS A 118 -13.399 -2.420 -4.801 1.00 0.00 H new ATOM 1729 N LEU A 119 -10.504 -7.338 -9.849 1.00 0.00 N ATOM 1730 CA LEU A 119 -10.386 -8.060 -11.111 1.00 0.00 C ATOM 1731 C LEU A 119 -10.790 -9.521 -10.943 1.00 0.00 C ATOM 1732 O LEU A 119 -11.528 -10.070 -11.762 1.00 0.00 O ATOM 1733 CB LEU A 119 -8.953 -7.973 -11.639 1.00 0.00 C ATOM 1734 CG LEU A 119 -8.348 -6.570 -11.711 1.00 0.00 C ATOM 1735 CD1 LEU A 119 -7.086 -6.576 -12.560 1.00 0.00 C ATOM 1736 CD2 LEU A 119 -9.362 -5.580 -12.265 1.00 0.00 C ATOM 0 H LEU A 119 -9.714 -6.729 -9.636 1.00 0.00 H new ATOM 0 HA LEU A 119 -11.061 -7.596 -11.830 1.00 0.00 H new ATOM 0 HB2 LEU A 119 -8.316 -8.590 -11.005 1.00 0.00 H new ATOM 0 HB3 LEU A 119 -8.928 -8.409 -12.637 1.00 0.00 H new ATOM 0 HG LEU A 119 -8.080 -6.258 -10.702 1.00 0.00 H new ATOM 0 HD11 LEU A 119 -6.670 -5.569 -12.600 1.00 0.00 H new ATOM 0 HD12 LEU A 119 -6.355 -7.254 -12.120 1.00 0.00 H new ATOM 0 HD13 LEU A 119 -7.328 -6.909 -13.569 1.00 0.00 H new ATOM 0 HD21 LEU A 119 -8.914 -4.587 -12.309 1.00 0.00 H new ATOM 0 HD22 LEU A 119 -9.661 -5.888 -13.267 1.00 0.00 H new ATOM 0 HD23 LEU A 119 -10.238 -5.555 -11.616 1.00 0.00 H new ATOM 1748 N LYS A 120 -10.304 -10.145 -9.876 1.00 0.00 N ATOM 1749 CA LYS A 120 -10.617 -11.541 -9.597 1.00 0.00 C ATOM 1750 C LYS A 120 -12.094 -11.711 -9.257 1.00 0.00 C ATOM 1751 O LYS A 120 -12.671 -12.776 -9.471 1.00 0.00 O ATOM 1752 CB LYS A 120 -9.755 -12.058 -8.443 1.00 0.00 C ATOM 1753 CG LYS A 120 -8.393 -11.390 -8.354 1.00 0.00 C ATOM 1754 CD LYS A 120 -7.345 -12.333 -7.787 1.00 0.00 C ATOM 1755 CE LYS A 120 -6.877 -13.337 -8.829 1.00 0.00 C ATOM 1756 NZ LYS A 120 -5.956 -14.352 -8.246 1.00 0.00 N ATOM 0 H LYS A 120 -9.691 -9.705 -9.189 1.00 0.00 H new ATOM 0 HA LYS A 120 -10.400 -12.121 -10.494 1.00 0.00 H new ATOM 0 HB2 LYS A 120 -10.288 -11.904 -7.505 1.00 0.00 H new ATOM 0 HB3 LYS A 120 -9.616 -13.133 -8.558 1.00 0.00 H new ATOM 0 HG2 LYS A 120 -8.085 -11.056 -9.345 1.00 0.00 H new ATOM 0 HG3 LYS A 120 -8.463 -10.502 -7.726 1.00 0.00 H new ATOM 0 HD2 LYS A 120 -6.493 -11.757 -7.426 1.00 0.00 H new ATOM 0 HD3 LYS A 120 -7.757 -12.863 -6.929 1.00 0.00 H new ATOM 0 HE2 LYS A 120 -7.741 -13.838 -9.264 1.00 0.00 H new ATOM 0 HE3 LYS A 120 -6.372 -12.811 -9.639 1.00 0.00 H new ATOM 0 HZ1 LYS A 120 -5.659 -15.018 -8.988 1.00 0.00 H new ATOM 0 HZ2 LYS A 120 -5.119 -13.876 -7.853 1.00 0.00 H new ATOM 0 HZ3 LYS A 120 -6.446 -14.872 -7.490 1.00 0.00 H new ATOM 1770 N GLN A 121 -12.700 -10.653 -8.727 1.00 0.00 N ATOM 1771 CA GLN A 121 -14.111 -10.686 -8.359 1.00 0.00 C ATOM 1772 C GLN A 121 -14.998 -10.593 -9.595 1.00 0.00 C ATOM 1773 O GLN A 121 -16.098 -11.143 -9.623 1.00 0.00 O ATOM 1774 CB GLN A 121 -14.435 -9.542 -7.397 1.00 0.00 C ATOM 1775 CG GLN A 121 -13.620 -9.576 -6.114 1.00 0.00 C ATOM 1776 CD GLN A 121 -13.724 -10.905 -5.391 1.00 0.00 C ATOM 1777 OE1 GLN A 121 -14.726 -11.190 -4.735 1.00 0.00 O ATOM 1778 NE2 GLN A 121 -12.687 -11.726 -5.509 1.00 0.00 N ATOM 0 H GLN A 121 -12.236 -9.763 -8.543 1.00 0.00 H new ATOM 0 HA GLN A 121 -14.309 -11.636 -7.863 1.00 0.00 H new ATOM 0 HB2 GLN A 121 -14.261 -8.593 -7.903 1.00 0.00 H new ATOM 0 HB3 GLN A 121 -15.495 -9.579 -7.145 1.00 0.00 H new ATOM 0 HG2 GLN A 121 -12.574 -9.374 -6.347 1.00 0.00 H new ATOM 0 HG3 GLN A 121 -13.959 -8.779 -5.452 1.00 0.00 H new ATOM 0 HE21 GLN A 121 -11.877 -11.448 -6.063 1.00 0.00 H new ATOM 0 HE22 GLN A 121 -12.700 -12.635 -5.045 1.00 0.00 H new