USER MOD reduce.3.24.130724 H: found=0, std=0, add=640, rem=0, adj=18 USER MOD reduce.3.24.130724 removed 641 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 34 TYR OH : rot -140:sc= 0.141 USER MOD Set 1.2: A 103 GLN :FLIP amide:sc= 0.139 F(o=-0.44,f=0.28) USER MOD Set 2.1: A 48 MET CE :methyl -172:sc= -0.0159 (180deg=-0.125) USER MOD Set 2.2: A 90 MET CE :methyl 177:sc= -0.708 (180deg=-0.85) USER MOD Set 3.1: A 79 ASN :FLIP amide:sc= 0.562 F(o=0.51,f=1.2) USER MOD Set 3.2: A 82 SER OG : rot 103:sc= 0.617 USER MOD Set 4.1: A 30 ASN : amide:sc= 0.331 X(o=1.2,f=1) USER MOD Set 4.2: A 76 SER OG : rot 21:sc= 0.863 USER MOD Single : A 35 HIS : no HE2:sc= -1.78! C(o=-1.8!,f=-7.3!) USER MOD Single : A 38 GLN : amide:sc= 0 K(o=0,f=-0.97) USER MOD Single : A 43 GLN : amide:sc= -0.164 K(o=-0.16,f=-1.6) USER MOD Single : A 47 GLN : amide:sc= -0.101 K(o=-0.1,f=-1.4) USER MOD Single : A 50 MET CE :methyl -178:sc= -0.0963 (180deg=-0.118) USER MOD Single : A 54 ASN : amide:sc= -0.0422 K(o=-0.042,f=-0.74) USER MOD Single : A 57 SER OG : rot 180:sc= 0 USER MOD Single : A 59 LYS NZ :NH3+ -164:sc= 0.985 (180deg=0.825) USER MOD Single : A 64 LYS NZ :NH3+ -172:sc=-0.00532 (180deg=-0.102) USER MOD Single : A 65 GLN :FLIP amide:sc= -0.0415 F(o=-0.76,f=-0.042) USER MOD Single : A 66 THR OG1 : rot 180:sc= 0.0944 USER MOD Single : A 67 ASN : amide:sc= 0 K(o=0,f=-0.97) USER MOD Single : A 69 SER OG : rot 31:sc= 0.435 USER MOD Single : A 70 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 71 CYS SG : rot 180:sc= 0 USER MOD Single : A 77 TYR OH : rot 35:sc= 0.219 USER MOD Single : A 84 GLN : amide:sc= -0.689 X(o=-0.69,f=-0.77) USER MOD Single : A 88 GLN : amide:sc= -0.27 K(o=-0.27,f=-1.5) USER MOD Single : A 91 ASN : amide:sc=-0.000243 K(o=-0.00024,f=-1.4) USER MOD Single : A 94 GLN : amide:sc= 0 K(o=0,f=-0.81) USER MOD Single : A 97 MET CE :methyl 162:sc= -0.029 (180deg=-0.397) USER MOD Single : A 98 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 101 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 105 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD ----------------------------------------------------------------- ATOM 344 N GLU A 24 13.593 10.222 -29.084 1.00 0.00 N ATOM 345 CA GLU A 24 12.212 9.945 -29.443 1.00 0.00 C ATOM 346 C GLU A 24 11.671 10.923 -30.484 1.00 0.00 C ATOM 347 O GLU A 24 12.141 12.053 -30.592 1.00 0.00 O ATOM 348 CB GLU A 24 11.350 9.984 -28.180 1.00 0.00 C ATOM 349 CG GLU A 24 11.960 9.134 -27.057 1.00 0.00 C ATOM 350 CD GLU A 24 13.017 9.871 -26.228 1.00 0.00 C ATOM 351 OE1 GLU A 24 13.571 9.223 -25.312 1.00 0.00 O ATOM 352 OE2 GLU A 24 13.271 11.066 -26.504 1.00 0.00 O ATOM 0 HA GLU A 24 12.175 8.954 -29.896 1.00 0.00 H new ATOM 0 HB2 GLU A 24 11.245 11.015 -27.842 1.00 0.00 H new ATOM 0 HB3 GLU A 24 10.349 9.620 -28.410 1.00 0.00 H new ATOM 0 HG2 GLU A 24 11.162 8.797 -26.395 1.00 0.00 H new ATOM 0 HG3 GLU A 24 12.410 8.242 -27.493 1.00 0.00 H new ATOM 359 N GLY A 25 10.675 10.483 -31.253 1.00 0.00 N ATOM 360 CA GLY A 25 10.040 11.292 -32.280 1.00 0.00 C ATOM 361 C GLY A 25 8.906 12.141 -31.717 1.00 0.00 C ATOM 362 O GLY A 25 8.702 12.175 -30.501 1.00 0.00 O ATOM 0 H GLY A 25 10.286 9.543 -31.175 1.00 0.00 H new ATOM 0 HA2 GLY A 25 10.784 11.941 -32.742 1.00 0.00 H new ATOM 0 HA3 GLY A 25 9.652 10.643 -33.065 1.00 0.00 H new ATOM 366 N PRO A 26 8.159 12.833 -32.589 1.00 0.00 N ATOM 367 CA PRO A 26 7.020 13.644 -32.208 1.00 0.00 C ATOM 368 C PRO A 26 5.881 12.747 -31.729 1.00 0.00 C ATOM 369 O PRO A 26 5.898 11.534 -31.946 1.00 0.00 O ATOM 370 CB PRO A 26 6.632 14.412 -33.472 1.00 0.00 C ATOM 371 CG PRO A 26 7.080 13.482 -34.598 1.00 0.00 C ATOM 372 CD PRO A 26 8.351 12.858 -34.027 1.00 0.00 C ATOM 0 HA PRO A 26 7.246 14.326 -31.388 1.00 0.00 H new ATOM 0 HB2 PRO A 26 5.560 14.606 -33.512 1.00 0.00 H new ATOM 0 HB3 PRO A 26 7.133 15.379 -33.525 1.00 0.00 H new ATOM 0 HG2 PRO A 26 6.326 12.729 -34.826 1.00 0.00 H new ATOM 0 HG3 PRO A 26 7.275 14.028 -35.521 1.00 0.00 H new ATOM 0 HD2 PRO A 26 8.505 11.853 -34.420 1.00 0.00 H new ATOM 0 HD3 PRO A 26 9.230 13.444 -34.295 1.00 0.00 H new ATOM 380 N GLU A 27 4.883 13.338 -31.074 1.00 0.00 N ATOM 381 CA GLU A 27 3.746 12.581 -30.568 1.00 0.00 C ATOM 382 C GLU A 27 2.978 11.946 -31.726 1.00 0.00 C ATOM 383 O GLU A 27 2.659 12.613 -32.710 1.00 0.00 O ATOM 384 CB GLU A 27 2.851 13.496 -29.731 1.00 0.00 C ATOM 385 CG GLU A 27 1.611 12.752 -29.230 1.00 0.00 C ATOM 386 CD GLU A 27 0.709 13.644 -28.376 1.00 0.00 C ATOM 387 OE1 GLU A 27 -0.377 13.158 -27.992 1.00 0.00 O ATOM 388 OE2 GLU A 27 1.107 14.802 -28.108 1.00 0.00 O ATOM 0 H GLU A 27 4.841 14.339 -30.883 1.00 0.00 H new ATOM 0 HA GLU A 27 4.099 11.774 -29.927 1.00 0.00 H new ATOM 0 HB2 GLU A 27 3.414 13.882 -28.881 1.00 0.00 H new ATOM 0 HB3 GLU A 27 2.546 14.355 -30.328 1.00 0.00 H new ATOM 0 HG2 GLU A 27 1.045 12.376 -30.083 1.00 0.00 H new ATOM 0 HG3 GLU A 27 1.920 11.885 -28.646 1.00 0.00 H new ATOM 395 N GLY A 28 2.686 10.649 -31.602 1.00 0.00 N ATOM 396 CA GLY A 28 1.927 9.909 -32.600 1.00 0.00 C ATOM 397 C GLY A 28 2.841 9.177 -33.579 1.00 0.00 C ATOM 398 O GLY A 28 2.365 8.364 -34.367 1.00 0.00 O ATOM 0 H GLY A 28 2.973 10.085 -30.802 1.00 0.00 H new ATOM 0 HA2 GLY A 28 1.277 9.189 -32.102 1.00 0.00 H new ATOM 0 HA3 GLY A 28 1.282 10.595 -33.149 1.00 0.00 H new ATOM 402 N ALA A 29 4.146 9.460 -33.536 1.00 0.00 N ATOM 403 CA ALA A 29 5.141 8.778 -34.351 1.00 0.00 C ATOM 404 C ALA A 29 5.788 7.629 -33.577 1.00 0.00 C ATOM 405 O ALA A 29 6.725 6.998 -34.065 1.00 0.00 O ATOM 406 CB ALA A 29 6.186 9.793 -34.812 1.00 0.00 C ATOM 0 H ALA A 29 4.540 10.177 -32.927 1.00 0.00 H new ATOM 0 HA ALA A 29 4.657 8.342 -35.225 1.00 0.00 H new ATOM 0 HB1 ALA A 29 6.936 9.291 -35.423 1.00 0.00 H new ATOM 0 HB2 ALA A 29 5.701 10.573 -35.400 1.00 0.00 H new ATOM 0 HB3 ALA A 29 6.667 10.240 -33.942 1.00 0.00 H new ATOM 412 N ASN A 30 5.290 7.356 -32.367 1.00 0.00 N ATOM 413 CA ASN A 30 5.860 6.361 -31.476 1.00 0.00 C ATOM 414 C ASN A 30 5.108 5.045 -31.652 1.00 0.00 C ATOM 415 O ASN A 30 3.891 5.062 -31.833 1.00 0.00 O ATOM 416 CB ASN A 30 5.724 6.857 -30.031 1.00 0.00 C ATOM 417 CG ASN A 30 5.933 8.361 -29.886 1.00 0.00 C ATOM 418 OD1 ASN A 30 5.091 9.052 -29.318 1.00 0.00 O ATOM 419 ND2 ASN A 30 7.044 8.882 -30.396 1.00 0.00 N ATOM 0 H ASN A 30 4.472 7.828 -31.982 1.00 0.00 H new ATOM 0 HA ASN A 30 6.914 6.203 -31.707 1.00 0.00 H new ATOM 0 HB2 ASN A 30 4.734 6.597 -29.657 1.00 0.00 H new ATOM 0 HB3 ASN A 30 6.448 6.335 -29.406 1.00 0.00 H new ATOM 0 HD21 ASN A 30 7.218 9.884 -30.322 1.00 0.00 H new ATOM 0 HD22 ASN A 30 7.723 8.280 -30.861 1.00 0.00 H new ATOM 426 N LEU A 31 5.821 3.913 -31.600 1.00 0.00 N ATOM 427 CA LEU A 31 5.223 2.599 -31.793 1.00 0.00 C ATOM 428 C LEU A 31 5.609 1.613 -30.697 1.00 0.00 C ATOM 429 O LEU A 31 6.605 1.784 -29.994 1.00 0.00 O ATOM 430 CB LEU A 31 5.649 1.991 -33.136 1.00 0.00 C ATOM 431 CG LEU A 31 5.178 2.755 -34.371 1.00 0.00 C ATOM 432 CD1 LEU A 31 5.542 1.922 -35.597 1.00 0.00 C ATOM 433 CD2 LEU A 31 3.668 2.948 -34.367 1.00 0.00 C ATOM 0 H LEU A 31 6.825 3.889 -31.423 1.00 0.00 H new ATOM 0 HA LEU A 31 4.145 2.760 -31.766 1.00 0.00 H new ATOM 0 HB2 LEU A 31 6.737 1.928 -33.160 1.00 0.00 H new ATOM 0 HB3 LEU A 31 5.269 0.971 -33.192 1.00 0.00 H new ATOM 0 HG LEU A 31 5.653 3.736 -34.380 1.00 0.00 H new ATOM 0 HD11 LEU A 31 5.218 2.441 -36.499 1.00 0.00 H new ATOM 0 HD12 LEU A 31 6.622 1.776 -35.630 1.00 0.00 H new ATOM 0 HD13 LEU A 31 5.046 0.953 -35.539 1.00 0.00 H new ATOM 0 HD21 LEU A 31 3.369 3.496 -35.261 1.00 0.00 H new ATOM 0 HD22 LEU A 31 3.177 1.975 -34.356 1.00 0.00 H new ATOM 0 HD23 LEU A 31 3.376 3.512 -33.481 1.00 0.00 H new ATOM 445 N PHE A 32 4.789 0.574 -30.587 1.00 0.00 N ATOM 446 CA PHE A 32 4.988 -0.576 -29.729 1.00 0.00 C ATOM 447 C PHE A 32 5.006 -1.909 -30.446 1.00 0.00 C ATOM 448 O PHE A 32 4.297 -2.084 -31.432 1.00 0.00 O ATOM 449 CB PHE A 32 4.022 -0.589 -28.549 1.00 0.00 C ATOM 450 CG PHE A 32 4.507 0.190 -27.359 1.00 0.00 C ATOM 451 CD1 PHE A 32 4.543 1.591 -27.388 1.00 0.00 C ATOM 452 CD2 PHE A 32 4.926 -0.508 -26.222 1.00 0.00 C ATOM 453 CE1 PHE A 32 5.012 2.288 -26.267 1.00 0.00 C ATOM 454 CE2 PHE A 32 5.380 0.190 -25.104 1.00 0.00 C ATOM 455 CZ PHE A 32 5.434 1.590 -25.124 1.00 0.00 C ATOM 0 H PHE A 32 3.924 0.513 -31.124 1.00 0.00 H new ATOM 0 HA PHE A 32 5.998 -0.449 -29.340 1.00 0.00 H new ATOM 0 HB2 PHE A 32 3.064 -0.182 -28.872 1.00 0.00 H new ATOM 0 HB3 PHE A 32 3.845 -1.622 -28.248 1.00 0.00 H new ATOM 0 HD1 PHE A 32 4.213 2.127 -28.265 1.00 0.00 H new ATOM 0 HD2 PHE A 32 4.898 -1.588 -26.210 1.00 0.00 H new ATOM 0 HE1 PHE A 32 5.049 3.367 -26.282 1.00 0.00 H new ATOM 0 HE2 PHE A 32 5.691 -0.349 -24.221 1.00 0.00 H new ATOM 0 HZ PHE A 32 5.799 2.130 -24.263 1.00 0.00 H new ATOM 465 N ILE A 33 5.817 -2.843 -29.952 1.00 0.00 N ATOM 466 CA ILE A 33 5.940 -4.167 -30.541 1.00 0.00 C ATOM 467 C ILE A 33 5.969 -5.183 -29.407 1.00 0.00 C ATOM 468 O ILE A 33 6.639 -4.958 -28.404 1.00 0.00 O ATOM 469 CB ILE A 33 7.202 -4.261 -31.411 1.00 0.00 C ATOM 470 CG1 ILE A 33 7.348 -3.101 -32.409 1.00 0.00 C ATOM 471 CG2 ILE A 33 7.165 -5.576 -32.191 1.00 0.00 C ATOM 472 CD1 ILE A 33 8.047 -1.881 -31.811 1.00 0.00 C ATOM 0 H ILE A 33 6.406 -2.699 -29.132 1.00 0.00 H new ATOM 0 HA ILE A 33 5.092 -4.371 -31.195 1.00 0.00 H new ATOM 0 HB ILE A 33 8.057 -4.211 -30.736 1.00 0.00 H new ATOM 0 HG12 ILE A 33 7.910 -3.445 -33.277 1.00 0.00 H new ATOM 0 HG13 ILE A 33 6.360 -2.808 -32.764 1.00 0.00 H new ATOM 0 HG21 ILE A 33 8.056 -5.655 -32.813 1.00 0.00 H new ATOM 0 HG22 ILE A 33 7.134 -6.412 -31.493 1.00 0.00 H new ATOM 0 HG23 ILE A 33 6.278 -5.599 -32.824 1.00 0.00 H new ATOM 0 HD11 ILE A 33 8.119 -1.097 -32.565 1.00 0.00 H new ATOM 0 HD12 ILE A 33 7.474 -1.514 -30.960 1.00 0.00 H new ATOM 0 HD13 ILE A 33 9.048 -2.160 -31.481 1.00 0.00 H new ATOM 484 N TYR A 34 5.256 -6.297 -29.564 1.00 0.00 N ATOM 485 CA TYR A 34 5.168 -7.308 -28.523 1.00 0.00 C ATOM 486 C TYR A 34 5.215 -8.666 -29.226 1.00 0.00 C ATOM 487 O TYR A 34 5.299 -8.747 -30.450 1.00 0.00 O ATOM 488 CB TYR A 34 3.820 -7.159 -27.815 1.00 0.00 C ATOM 489 CG TYR A 34 3.356 -5.742 -27.541 1.00 0.00 C ATOM 490 CD1 TYR A 34 3.795 -5.060 -26.397 1.00 0.00 C ATOM 491 CD2 TYR A 34 2.466 -5.119 -28.427 1.00 0.00 C ATOM 492 CE1 TYR A 34 3.316 -3.770 -26.116 1.00 0.00 C ATOM 493 CE2 TYR A 34 1.964 -3.844 -28.140 1.00 0.00 C ATOM 494 CZ TYR A 34 2.375 -3.168 -26.975 1.00 0.00 C ATOM 495 OH TYR A 34 1.862 -1.937 -26.695 1.00 0.00 O ATOM 0 H TYR A 34 4.730 -6.519 -30.409 1.00 0.00 H new ATOM 0 HA TYR A 34 5.974 -7.211 -27.796 1.00 0.00 H new ATOM 0 HB2 TYR A 34 3.060 -7.657 -28.418 1.00 0.00 H new ATOM 0 HB3 TYR A 34 3.872 -7.691 -26.865 1.00 0.00 H new ATOM 0 HD1 TYR A 34 4.504 -5.528 -25.730 1.00 0.00 H new ATOM 0 HD2 TYR A 34 2.167 -5.624 -29.334 1.00 0.00 H new ATOM 0 HE1 TYR A 34 3.668 -3.240 -25.243 1.00 0.00 H new ATOM 0 HE2 TYR A 34 1.260 -3.378 -28.813 1.00 0.00 H new ATOM 0 HH TYR A 34 0.907 -1.923 -26.915 1.00 0.00 H new ATOM 505 N HIS A 35 5.157 -9.738 -28.427 1.00 0.00 N ATOM 506 CA HIS A 35 5.220 -11.121 -28.892 1.00 0.00 C ATOM 507 C HIS A 35 6.550 -11.462 -29.572 1.00 0.00 C ATOM 508 O HIS A 35 6.634 -12.464 -30.284 1.00 0.00 O ATOM 509 CB HIS A 35 4.024 -11.463 -29.789 1.00 0.00 C ATOM 510 CG HIS A 35 2.661 -11.197 -29.206 1.00 0.00 C ATOM 511 ND1 HIS A 35 1.461 -11.459 -29.841 1.00 0.00 N ATOM 512 CD2 HIS A 35 2.368 -10.671 -27.976 1.00 0.00 C ATOM 513 CE1 HIS A 35 0.462 -11.114 -29.010 1.00 0.00 C ATOM 514 NE2 HIS A 35 0.993 -10.626 -27.873 1.00 0.00 N ATOM 0 H HIS A 35 5.063 -9.661 -27.414 1.00 0.00 H new ATOM 0 HA HIS A 35 5.164 -11.749 -28.003 1.00 0.00 H new ATOM 0 HB2 HIS A 35 4.117 -10.897 -30.716 1.00 0.00 H new ATOM 0 HB3 HIS A 35 4.084 -12.519 -30.053 1.00 0.00 H new ATOM 0 HD1 HIS A 35 1.352 -11.847 -30.778 1.00 0.00 H new ATOM 0 HD2 HIS A 35 3.079 -10.352 -27.228 1.00 0.00 H new ATOM 0 HE1 HIS A 35 -0.593 -11.212 -29.220 1.00 0.00 H new ATOM 523 N LEU A 36 7.589 -10.648 -29.364 1.00 0.00 N ATOM 524 CA LEU A 36 8.895 -10.884 -29.961 1.00 0.00 C ATOM 525 C LEU A 36 9.549 -12.117 -29.330 1.00 0.00 C ATOM 526 O LEU A 36 9.409 -12.338 -28.128 1.00 0.00 O ATOM 527 CB LEU A 36 9.795 -9.661 -29.745 1.00 0.00 C ATOM 528 CG LEU A 36 9.269 -8.412 -30.454 1.00 0.00 C ATOM 529 CD1 LEU A 36 10.050 -7.195 -29.965 1.00 0.00 C ATOM 530 CD2 LEU A 36 9.461 -8.532 -31.965 1.00 0.00 C ATOM 0 H LEU A 36 7.543 -9.813 -28.780 1.00 0.00 H new ATOM 0 HA LEU A 36 8.766 -11.056 -31.030 1.00 0.00 H new ATOM 0 HB2 LEU A 36 9.879 -9.460 -28.677 1.00 0.00 H new ATOM 0 HB3 LEU A 36 10.799 -9.884 -30.107 1.00 0.00 H new ATOM 0 HG LEU A 36 8.207 -8.306 -30.232 1.00 0.00 H new ATOM 0 HD11 LEU A 36 9.681 -6.300 -30.466 1.00 0.00 H new ATOM 0 HD12 LEU A 36 9.920 -7.088 -28.888 1.00 0.00 H new ATOM 0 HD13 LEU A 36 11.108 -7.327 -30.191 1.00 0.00 H new ATOM 0 HD21 LEU A 36 9.081 -7.634 -32.453 1.00 0.00 H new ATOM 0 HD22 LEU A 36 10.522 -8.645 -32.189 1.00 0.00 H new ATOM 0 HD23 LEU A 36 8.918 -9.402 -32.333 1.00 0.00 H new ATOM 542 N PRO A 37 10.263 -12.926 -30.123 1.00 0.00 N ATOM 543 CA PRO A 37 11.025 -14.055 -29.625 1.00 0.00 C ATOM 544 C PRO A 37 12.274 -13.561 -28.898 1.00 0.00 C ATOM 545 O PRO A 37 12.634 -12.386 -28.981 1.00 0.00 O ATOM 546 CB PRO A 37 11.367 -14.882 -30.863 1.00 0.00 C ATOM 547 CG PRO A 37 11.478 -13.820 -31.949 1.00 0.00 C ATOM 548 CD PRO A 37 10.399 -12.809 -31.561 1.00 0.00 C ATOM 0 HA PRO A 37 10.473 -14.654 -28.901 1.00 0.00 H new ATOM 0 HB2 PRO A 37 12.299 -15.433 -30.738 1.00 0.00 H new ATOM 0 HB3 PRO A 37 10.592 -15.614 -31.089 1.00 0.00 H new ATOM 0 HG2 PRO A 37 12.468 -13.365 -31.967 1.00 0.00 H new ATOM 0 HG3 PRO A 37 11.301 -14.238 -32.940 1.00 0.00 H new ATOM 0 HD2 PRO A 37 10.687 -11.797 -31.848 1.00 0.00 H new ATOM 0 HD3 PRO A 37 9.457 -13.027 -32.064 1.00 0.00 H new ATOM 556 N GLN A 38 12.944 -14.466 -28.177 1.00 0.00 N ATOM 557 CA GLN A 38 14.083 -14.119 -27.340 1.00 0.00 C ATOM 558 C GLN A 38 15.323 -13.752 -28.161 1.00 0.00 C ATOM 559 O GLN A 38 16.257 -13.147 -27.638 1.00 0.00 O ATOM 560 CB GLN A 38 14.362 -15.305 -26.412 1.00 0.00 C ATOM 561 CG GLN A 38 15.558 -15.042 -25.493 1.00 0.00 C ATOM 562 CD GLN A 38 15.651 -16.075 -24.375 1.00 0.00 C ATOM 563 OE1 GLN A 38 14.886 -17.035 -24.325 1.00 0.00 O ATOM 564 NE2 GLN A 38 16.603 -15.889 -23.462 1.00 0.00 N ATOM 0 H GLN A 38 12.707 -15.458 -28.161 1.00 0.00 H new ATOM 0 HA GLN A 38 13.842 -13.229 -26.759 1.00 0.00 H new ATOM 0 HB2 GLN A 38 13.478 -15.509 -25.808 1.00 0.00 H new ATOM 0 HB3 GLN A 38 14.552 -16.197 -27.010 1.00 0.00 H new ATOM 0 HG2 GLN A 38 16.477 -15.057 -26.079 1.00 0.00 H new ATOM 0 HG3 GLN A 38 15.472 -14.045 -25.061 1.00 0.00 H new ATOM 0 HE21 GLN A 38 17.224 -15.082 -23.529 1.00 0.00 H new ATOM 0 HE22 GLN A 38 16.711 -16.553 -22.696 1.00 0.00 H new ATOM 573 N GLU A 39 15.345 -14.113 -29.447 1.00 0.00 N ATOM 574 CA GLU A 39 16.491 -13.847 -30.310 1.00 0.00 C ATOM 575 C GLU A 39 16.559 -12.383 -30.760 1.00 0.00 C ATOM 576 O GLU A 39 17.561 -11.969 -31.341 1.00 0.00 O ATOM 577 CB GLU A 39 16.456 -14.802 -31.507 1.00 0.00 C ATOM 578 CG GLU A 39 15.179 -14.622 -32.332 1.00 0.00 C ATOM 579 CD GLU A 39 15.090 -15.620 -33.485 1.00 0.00 C ATOM 580 OE1 GLU A 39 16.059 -16.387 -33.684 1.00 0.00 O ATOM 581 OE2 GLU A 39 14.044 -15.611 -34.170 1.00 0.00 O ATOM 0 H GLU A 39 14.575 -14.593 -29.913 1.00 0.00 H new ATOM 0 HA GLU A 39 17.400 -14.024 -29.735 1.00 0.00 H new ATOM 0 HB2 GLU A 39 17.326 -14.627 -32.139 1.00 0.00 H new ATOM 0 HB3 GLU A 39 16.520 -15.831 -31.154 1.00 0.00 H new ATOM 0 HG2 GLU A 39 14.310 -14.740 -31.684 1.00 0.00 H new ATOM 0 HG3 GLU A 39 15.145 -13.607 -32.729 1.00 0.00 H new ATOM 588 N PHE A 40 15.511 -11.593 -30.502 1.00 0.00 N ATOM 589 CA PHE A 40 15.502 -10.166 -30.803 1.00 0.00 C ATOM 590 C PHE A 40 16.359 -9.283 -29.906 1.00 0.00 C ATOM 591 O PHE A 40 16.690 -9.647 -28.777 1.00 0.00 O ATOM 592 CB PHE A 40 14.091 -9.610 -31.001 1.00 0.00 C ATOM 593 CG PHE A 40 13.498 -9.822 -32.377 1.00 0.00 C ATOM 594 CD1 PHE A 40 12.971 -8.730 -33.085 1.00 0.00 C ATOM 595 CD2 PHE A 40 13.473 -11.099 -32.949 1.00 0.00 C ATOM 596 CE1 PHE A 40 12.413 -8.919 -34.357 1.00 0.00 C ATOM 597 CE2 PHE A 40 12.919 -11.286 -34.225 1.00 0.00 C ATOM 598 CZ PHE A 40 12.386 -10.198 -34.931 1.00 0.00 C ATOM 0 H PHE A 40 14.647 -11.930 -30.078 1.00 0.00 H new ATOM 0 HA PHE A 40 16.013 -10.115 -31.765 1.00 0.00 H new ATOM 0 HB2 PHE A 40 13.431 -10.069 -30.265 1.00 0.00 H new ATOM 0 HB3 PHE A 40 14.107 -8.540 -30.792 1.00 0.00 H new ATOM 0 HD1 PHE A 40 12.996 -7.742 -32.649 1.00 0.00 H new ATOM 0 HD2 PHE A 40 13.880 -11.941 -32.408 1.00 0.00 H new ATOM 0 HE1 PHE A 40 12.003 -8.078 -34.896 1.00 0.00 H new ATOM 0 HE2 PHE A 40 12.903 -12.272 -34.665 1.00 0.00 H new ATOM 0 HZ PHE A 40 11.957 -10.344 -35.911 1.00 0.00 H new ATOM 608 N GLY A 41 16.714 -8.107 -30.426 1.00 0.00 N ATOM 609 CA GLY A 41 17.478 -7.108 -29.703 1.00 0.00 C ATOM 610 C GLY A 41 17.195 -5.727 -30.284 1.00 0.00 C ATOM 611 O GLY A 41 16.537 -5.607 -31.316 1.00 0.00 O ATOM 0 H GLY A 41 16.472 -7.825 -31.376 1.00 0.00 H new ATOM 0 HA2 GLY A 41 17.215 -7.129 -28.646 1.00 0.00 H new ATOM 0 HA3 GLY A 41 18.543 -7.331 -29.771 1.00 0.00 H new ATOM 615 N ASP A 42 17.688 -4.676 -29.624 1.00 0.00 N ATOM 616 CA ASP A 42 17.430 -3.312 -30.058 1.00 0.00 C ATOM 617 C ASP A 42 17.925 -2.994 -31.465 1.00 0.00 C ATOM 618 O ASP A 42 17.284 -2.244 -32.202 1.00 0.00 O ATOM 619 CB ASP A 42 17.956 -2.304 -29.031 1.00 0.00 C ATOM 620 CG ASP A 42 19.353 -2.603 -28.484 1.00 0.00 C ATOM 621 OD1 ASP A 42 19.684 -1.989 -27.446 1.00 0.00 O ATOM 622 OD2 ASP A 42 20.073 -3.425 -29.094 1.00 0.00 O ATOM 0 H ASP A 42 18.267 -4.750 -28.788 1.00 0.00 H new ATOM 0 HA ASP A 42 16.345 -3.220 -30.117 1.00 0.00 H new ATOM 0 HB2 ASP A 42 17.966 -1.315 -29.488 1.00 0.00 H new ATOM 0 HB3 ASP A 42 17.257 -2.262 -28.196 1.00 0.00 H new ATOM 627 N GLN A 43 19.067 -3.573 -31.836 1.00 0.00 N ATOM 628 CA GLN A 43 19.640 -3.410 -33.161 1.00 0.00 C ATOM 629 C GLN A 43 18.860 -4.221 -34.197 1.00 0.00 C ATOM 630 O GLN A 43 18.799 -3.844 -35.366 1.00 0.00 O ATOM 631 CB GLN A 43 21.101 -3.870 -33.107 1.00 0.00 C ATOM 632 CG GLN A 43 21.847 -3.608 -34.418 1.00 0.00 C ATOM 633 CD GLN A 43 22.012 -2.125 -34.729 1.00 0.00 C ATOM 634 OE1 GLN A 43 21.715 -1.258 -33.909 1.00 0.00 O ATOM 635 NE2 GLN A 43 22.493 -1.811 -35.925 1.00 0.00 N ATOM 0 H GLN A 43 19.619 -4.170 -31.219 1.00 0.00 H new ATOM 0 HA GLN A 43 19.586 -2.363 -33.461 1.00 0.00 H new ATOM 0 HB2 GLN A 43 21.611 -3.354 -32.293 1.00 0.00 H new ATOM 0 HB3 GLN A 43 21.135 -4.936 -32.880 1.00 0.00 H new ATOM 0 HG2 GLN A 43 22.831 -4.074 -34.368 1.00 0.00 H new ATOM 0 HG3 GLN A 43 21.309 -4.087 -35.236 1.00 0.00 H new ATOM 0 HE21 GLN A 43 22.732 -2.548 -36.588 1.00 0.00 H new ATOM 0 HE22 GLN A 43 22.624 -0.832 -36.181 1.00 0.00 H new ATOM 644 N ASP A 44 18.261 -5.335 -33.771 1.00 0.00 N ATOM 645 CA ASP A 44 17.492 -6.184 -34.664 1.00 0.00 C ATOM 646 C ASP A 44 16.108 -5.639 -35.010 1.00 0.00 C ATOM 647 O ASP A 44 15.692 -5.704 -36.164 1.00 0.00 O ATOM 648 CB ASP A 44 17.415 -7.613 -34.124 1.00 0.00 C ATOM 649 CG ASP A 44 18.751 -8.354 -34.210 1.00 0.00 C ATOM 650 OD1 ASP A 44 18.777 -9.525 -33.771 1.00 0.00 O ATOM 651 OD2 ASP A 44 19.737 -7.762 -34.707 1.00 0.00 O ATOM 0 H ASP A 44 18.298 -5.666 -32.807 1.00 0.00 H new ATOM 0 HA ASP A 44 18.036 -6.193 -35.608 1.00 0.00 H new ATOM 0 HB2 ASP A 44 17.086 -7.586 -33.085 1.00 0.00 H new ATOM 0 HB3 ASP A 44 16.661 -8.167 -34.683 1.00 0.00 H new ATOM 656 N ILE A 45 15.391 -5.100 -34.016 1.00 0.00 N ATOM 657 CA ILE A 45 14.077 -4.524 -34.254 1.00 0.00 C ATOM 658 C ILE A 45 14.235 -3.215 -35.029 1.00 0.00 C ATOM 659 O ILE A 45 13.312 -2.788 -35.719 1.00 0.00 O ATOM 660 CB ILE A 45 13.362 -4.307 -32.915 1.00 0.00 C ATOM 661 CG1 ILE A 45 11.875 -4.048 -33.166 1.00 0.00 C ATOM 662 CG2 ILE A 45 13.968 -3.144 -32.126 1.00 0.00 C ATOM 663 CD1 ILE A 45 11.091 -4.057 -31.854 1.00 0.00 C ATOM 0 H ILE A 45 15.703 -5.054 -33.046 1.00 0.00 H new ATOM 0 HA ILE A 45 13.468 -5.202 -34.852 1.00 0.00 H new ATOM 0 HB ILE A 45 13.488 -5.210 -32.317 1.00 0.00 H new ATOM 0 HG12 ILE A 45 11.748 -3.087 -33.664 1.00 0.00 H new ATOM 0 HG13 ILE A 45 11.477 -4.809 -33.837 1.00 0.00 H new ATOM 0 HG21 ILE A 45 13.432 -3.025 -31.184 1.00 0.00 H new ATOM 0 HG22 ILE A 45 15.019 -3.351 -31.922 1.00 0.00 H new ATOM 0 HG23 ILE A 45 13.886 -2.227 -32.709 1.00 0.00 H new ATOM 0 HD11 ILE A 45 10.037 -3.871 -32.059 1.00 0.00 H new ATOM 0 HD12 ILE A 45 11.201 -5.028 -31.371 1.00 0.00 H new ATOM 0 HD13 ILE A 45 11.476 -3.279 -31.195 1.00 0.00 H new ATOM 675 N LEU A 46 15.405 -2.568 -34.924 1.00 0.00 N ATOM 676 CA LEU A 46 15.686 -1.367 -35.687 1.00 0.00 C ATOM 677 C LEU A 46 15.672 -1.707 -37.173 1.00 0.00 C ATOM 678 O LEU A 46 15.013 -1.028 -37.958 1.00 0.00 O ATOM 679 CB LEU A 46 17.049 -0.814 -35.259 1.00 0.00 C ATOM 680 CG LEU A 46 17.494 0.375 -36.110 1.00 0.00 C ATOM 681 CD1 LEU A 46 16.604 1.596 -35.881 1.00 0.00 C ATOM 682 CD2 LEU A 46 18.937 0.730 -35.759 1.00 0.00 C ATOM 0 H LEU A 46 16.166 -2.866 -34.314 1.00 0.00 H new ATOM 0 HA LEU A 46 14.928 -0.606 -35.500 1.00 0.00 H new ATOM 0 HB2 LEU A 46 17.002 -0.510 -34.213 1.00 0.00 H new ATOM 0 HB3 LEU A 46 17.796 -1.605 -35.328 1.00 0.00 H new ATOM 0 HG LEU A 46 17.414 0.091 -37.159 1.00 0.00 H new ATOM 0 HD11 LEU A 46 16.951 2.421 -36.503 1.00 0.00 H new ATOM 0 HD12 LEU A 46 15.575 1.351 -36.145 1.00 0.00 H new ATOM 0 HD13 LEU A 46 16.650 1.888 -34.832 1.00 0.00 H new ATOM 0 HD21 LEU A 46 19.260 1.578 -36.363 1.00 0.00 H new ATOM 0 HD22 LEU A 46 19.001 0.992 -34.703 1.00 0.00 H new ATOM 0 HD23 LEU A 46 19.581 -0.126 -35.960 1.00 0.00 H new ATOM 694 N GLN A 47 16.395 -2.762 -37.558 1.00 0.00 N ATOM 695 CA GLN A 47 16.479 -3.185 -38.946 1.00 0.00 C ATOM 696 C GLN A 47 15.127 -3.659 -39.475 1.00 0.00 C ATOM 697 O GLN A 47 14.890 -3.618 -40.681 1.00 0.00 O ATOM 698 CB GLN A 47 17.519 -4.298 -39.068 1.00 0.00 C ATOM 699 CG GLN A 47 18.929 -3.757 -38.810 1.00 0.00 C ATOM 700 CD GLN A 47 19.504 -3.040 -40.026 1.00 0.00 C ATOM 701 OE1 GLN A 47 18.862 -2.935 -41.066 1.00 0.00 O ATOM 702 NE2 GLN A 47 20.728 -2.533 -39.898 1.00 0.00 N ATOM 0 H GLN A 47 16.934 -3.341 -36.914 1.00 0.00 H new ATOM 0 HA GLN A 47 16.779 -2.330 -39.551 1.00 0.00 H new ATOM 0 HB2 GLN A 47 17.294 -5.092 -38.356 1.00 0.00 H new ATOM 0 HB3 GLN A 47 17.471 -4.739 -40.063 1.00 0.00 H new ATOM 0 HG2 GLN A 47 18.903 -3.070 -37.964 1.00 0.00 H new ATOM 0 HG3 GLN A 47 19.587 -4.581 -38.532 1.00 0.00 H new ATOM 0 HE21 GLN A 47 21.234 -2.638 -39.019 1.00 0.00 H new ATOM 0 HE22 GLN A 47 21.160 -2.039 -40.679 1.00 0.00 H new ATOM 711 N MET A 48 14.236 -4.106 -38.585 1.00 0.00 N ATOM 712 CA MET A 48 12.899 -4.514 -38.982 1.00 0.00 C ATOM 713 C MET A 48 12.009 -3.307 -39.261 1.00 0.00 C ATOM 714 O MET A 48 11.039 -3.428 -40.008 1.00 0.00 O ATOM 715 CB MET A 48 12.272 -5.380 -37.883 1.00 0.00 C ATOM 716 CG MET A 48 12.900 -6.772 -37.816 1.00 0.00 C ATOM 717 SD MET A 48 12.883 -7.696 -39.376 1.00 0.00 S ATOM 718 CE MET A 48 11.092 -7.872 -39.613 1.00 0.00 C ATOM 0 H MET A 48 14.423 -4.192 -37.586 1.00 0.00 H new ATOM 0 HA MET A 48 12.981 -5.092 -39.902 1.00 0.00 H new ATOM 0 HB2 MET A 48 12.390 -4.883 -36.920 1.00 0.00 H new ATOM 0 HB3 MET A 48 11.201 -5.475 -38.064 1.00 0.00 H new ATOM 0 HG2 MET A 48 13.933 -6.673 -37.481 1.00 0.00 H new ATOM 0 HG3 MET A 48 12.374 -7.355 -37.060 1.00 0.00 H new ATOM 0 HE1 MET A 48 10.900 -8.540 -40.453 1.00 0.00 H new ATOM 0 HE2 MET A 48 10.645 -8.287 -38.710 1.00 0.00 H new ATOM 0 HE3 MET A 48 10.654 -6.895 -39.819 1.00 0.00 H new ATOM 728 N PHE A 49 12.328 -2.151 -38.670 1.00 0.00 N ATOM 729 CA PHE A 49 11.530 -0.941 -38.831 1.00 0.00 C ATOM 730 C PHE A 49 12.099 0.182 -39.697 1.00 0.00 C ATOM 731 O PHE A 49 11.378 1.113 -40.043 1.00 0.00 O ATOM 732 CB PHE A 49 10.964 -0.462 -37.490 1.00 0.00 C ATOM 733 CG PHE A 49 9.800 -1.280 -36.971 1.00 0.00 C ATOM 734 CD1 PHE A 49 10.011 -2.585 -36.502 1.00 0.00 C ATOM 735 CD2 PHE A 49 8.505 -0.741 -36.952 1.00 0.00 C ATOM 736 CE1 PHE A 49 8.932 -3.348 -36.035 1.00 0.00 C ATOM 737 CE2 PHE A 49 7.426 -1.508 -36.493 1.00 0.00 C ATOM 738 CZ PHE A 49 7.635 -2.816 -36.040 1.00 0.00 C ATOM 0 H PHE A 49 13.144 -2.032 -38.070 1.00 0.00 H new ATOM 0 HA PHE A 49 10.703 -1.269 -39.461 1.00 0.00 H new ATOM 0 HB2 PHE A 49 11.762 -0.477 -36.747 1.00 0.00 H new ATOM 0 HB3 PHE A 49 10.645 0.575 -37.594 1.00 0.00 H new ATOM 0 HD1 PHE A 49 11.007 -3.003 -36.501 1.00 0.00 H new ATOM 0 HD2 PHE A 49 8.339 0.270 -37.293 1.00 0.00 H new ATOM 0 HE1 PHE A 49 9.101 -4.350 -35.670 1.00 0.00 H new ATOM 0 HE2 PHE A 49 6.431 -1.089 -36.489 1.00 0.00 H new ATOM 0 HZ PHE A 49 6.802 -3.412 -35.696 1.00 0.00 H new ATOM 748 N MET A 50 13.384 0.114 -40.059 1.00 0.00 N ATOM 749 CA MET A 50 13.996 1.152 -40.881 1.00 0.00 C ATOM 750 C MET A 50 13.459 1.247 -42.321 1.00 0.00 C ATOM 751 O MET A 50 13.450 2.354 -42.859 1.00 0.00 O ATOM 752 CB MET A 50 15.514 0.982 -40.916 1.00 0.00 C ATOM 753 CG MET A 50 16.158 1.496 -39.627 1.00 0.00 C ATOM 754 SD MET A 50 17.938 1.807 -39.757 1.00 0.00 S ATOM 755 CE MET A 50 18.517 0.125 -40.071 1.00 0.00 C ATOM 0 H MET A 50 14.013 -0.645 -39.796 1.00 0.00 H new ATOM 0 HA MET A 50 13.719 2.088 -40.396 1.00 0.00 H new ATOM 0 HB2 MET A 50 15.762 -0.070 -41.055 1.00 0.00 H new ATOM 0 HB3 MET A 50 15.923 1.521 -41.770 1.00 0.00 H new ATOM 0 HG2 MET A 50 15.660 2.419 -39.329 1.00 0.00 H new ATOM 0 HG3 MET A 50 15.985 0.769 -38.833 1.00 0.00 H new ATOM 0 HE1 MET A 50 19.605 0.122 -40.143 1.00 0.00 H new ATOM 0 HE2 MET A 50 18.206 -0.525 -39.254 1.00 0.00 H new ATOM 0 HE3 MET A 50 18.090 -0.238 -41.006 1.00 0.00 H new ATOM 765 N PRO A 51 13.009 0.167 -42.987 1.00 0.00 N ATOM 766 CA PRO A 51 12.510 0.285 -44.348 1.00 0.00 C ATOM 767 C PRO A 51 11.147 0.977 -44.403 1.00 0.00 C ATOM 768 O PRO A 51 10.680 1.325 -45.485 1.00 0.00 O ATOM 769 CB PRO A 51 12.429 -1.149 -44.869 1.00 0.00 C ATOM 770 CG PRO A 51 12.141 -1.953 -43.605 1.00 0.00 C ATOM 771 CD PRO A 51 12.954 -1.216 -42.544 1.00 0.00 C ATOM 0 HA PRO A 51 13.167 0.905 -44.959 1.00 0.00 H new ATOM 0 HB2 PRO A 51 11.639 -1.266 -45.611 1.00 0.00 H new ATOM 0 HB3 PRO A 51 13.360 -1.460 -45.343 1.00 0.00 H new ATOM 0 HG2 PRO A 51 11.078 -1.963 -43.365 1.00 0.00 H new ATOM 0 HG3 PRO A 51 12.455 -2.992 -43.706 1.00 0.00 H new ATOM 0 HD2 PRO A 51 12.484 -1.296 -41.564 1.00 0.00 H new ATOM 0 HD3 PRO A 51 13.955 -1.639 -42.453 1.00 0.00 H new ATOM 779 N PHE A 52 10.502 1.177 -43.249 1.00 0.00 N ATOM 780 CA PHE A 52 9.197 1.820 -43.177 1.00 0.00 C ATOM 781 C PHE A 52 9.318 3.341 -43.075 1.00 0.00 C ATOM 782 O PHE A 52 8.330 4.048 -43.269 1.00 0.00 O ATOM 783 CB PHE A 52 8.441 1.241 -41.988 1.00 0.00 C ATOM 784 CG PHE A 52 8.229 -0.252 -42.072 1.00 0.00 C ATOM 785 CD1 PHE A 52 8.434 -1.042 -40.934 1.00 0.00 C ATOM 786 CD2 PHE A 52 7.833 -0.849 -43.277 1.00 0.00 C ATOM 787 CE1 PHE A 52 8.263 -2.428 -41.004 1.00 0.00 C ATOM 788 CE2 PHE A 52 7.666 -2.238 -43.348 1.00 0.00 C ATOM 789 CZ PHE A 52 7.883 -3.029 -42.209 1.00 0.00 C ATOM 0 H PHE A 52 10.874 0.896 -42.342 1.00 0.00 H new ATOM 0 HA PHE A 52 8.646 1.621 -44.096 1.00 0.00 H new ATOM 0 HB2 PHE A 52 8.989 1.470 -41.074 1.00 0.00 H new ATOM 0 HB3 PHE A 52 7.471 1.733 -41.911 1.00 0.00 H new ATOM 0 HD1 PHE A 52 8.724 -0.580 -40.002 1.00 0.00 H new ATOM 0 HD2 PHE A 52 7.657 -0.238 -44.150 1.00 0.00 H new ATOM 0 HE1 PHE A 52 8.425 -3.036 -40.126 1.00 0.00 H new ATOM 0 HE2 PHE A 52 7.370 -2.700 -44.278 1.00 0.00 H new ATOM 0 HZ PHE A 52 7.757 -4.100 -42.263 1.00 0.00 H new ATOM 799 N GLY A 53 10.519 3.844 -42.777 1.00 0.00 N ATOM 800 CA GLY A 53 10.774 5.271 -42.669 1.00 0.00 C ATOM 801 C GLY A 53 11.964 5.561 -41.761 1.00 0.00 C ATOM 802 O GLY A 53 12.638 4.641 -41.301 1.00 0.00 O ATOM 0 H GLY A 53 11.341 3.265 -42.604 1.00 0.00 H new ATOM 0 HA2 GLY A 53 10.963 5.684 -43.660 1.00 0.00 H new ATOM 0 HA3 GLY A 53 9.888 5.771 -42.279 1.00 0.00 H new ATOM 806 N ASN A 54 12.230 6.843 -41.497 1.00 0.00 N ATOM 807 CA ASN A 54 13.362 7.240 -40.677 1.00 0.00 C ATOM 808 C ASN A 54 13.069 6.976 -39.203 1.00 0.00 C ATOM 809 O ASN A 54 12.289 7.693 -38.580 1.00 0.00 O ATOM 810 CB ASN A 54 13.659 8.723 -40.918 1.00 0.00 C ATOM 811 CG ASN A 54 14.810 9.214 -40.052 1.00 0.00 C ATOM 812 OD1 ASN A 54 15.692 8.447 -39.675 1.00 0.00 O ATOM 813 ND2 ASN A 54 14.802 10.503 -39.729 1.00 0.00 N ATOM 0 H ASN A 54 11.670 7.622 -41.844 1.00 0.00 H new ATOM 0 HA ASN A 54 14.237 6.652 -40.952 1.00 0.00 H new ATOM 0 HB2 ASN A 54 13.902 8.879 -41.969 1.00 0.00 H new ATOM 0 HB3 ASN A 54 12.767 9.312 -40.706 1.00 0.00 H new ATOM 0 HD21 ASN A 54 15.547 10.888 -39.148 1.00 0.00 H new ATOM 0 HD22 ASN A 54 14.051 11.108 -40.062 1.00 0.00 H new ATOM 820 N VAL A 55 13.708 5.940 -38.656 1.00 0.00 N ATOM 821 CA VAL A 55 13.595 5.587 -37.253 1.00 0.00 C ATOM 822 C VAL A 55 14.689 6.317 -36.479 1.00 0.00 C ATOM 823 O VAL A 55 15.872 6.151 -36.777 1.00 0.00 O ATOM 824 CB VAL A 55 13.741 4.070 -37.103 1.00 0.00 C ATOM 825 CG1 VAL A 55 13.749 3.660 -35.633 1.00 0.00 C ATOM 826 CG2 VAL A 55 12.590 3.361 -37.809 1.00 0.00 C ATOM 0 H VAL A 55 14.322 5.321 -39.185 1.00 0.00 H new ATOM 0 HA VAL A 55 12.623 5.881 -36.858 1.00 0.00 H new ATOM 0 HB VAL A 55 14.690 3.781 -37.555 1.00 0.00 H new ATOM 0 HG11 VAL A 55 13.854 2.578 -35.558 1.00 0.00 H new ATOM 0 HG12 VAL A 55 14.585 4.142 -35.125 1.00 0.00 H new ATOM 0 HG13 VAL A 55 12.814 3.967 -35.164 1.00 0.00 H new ATOM 0 HG21 VAL A 55 12.703 2.283 -37.696 1.00 0.00 H new ATOM 0 HG22 VAL A 55 11.644 3.675 -37.368 1.00 0.00 H new ATOM 0 HG23 VAL A 55 12.599 3.618 -38.868 1.00 0.00 H new ATOM 836 N ILE A 56 14.308 7.121 -35.483 1.00 0.00 N ATOM 837 CA ILE A 56 15.277 7.838 -34.665 1.00 0.00 C ATOM 838 C ILE A 56 15.722 6.963 -33.494 1.00 0.00 C ATOM 839 O ILE A 56 16.837 7.105 -32.992 1.00 0.00 O ATOM 840 CB ILE A 56 14.661 9.135 -34.123 1.00 0.00 C ATOM 841 CG1 ILE A 56 13.957 9.945 -35.219 1.00 0.00 C ATOM 842 CG2 ILE A 56 15.751 9.980 -33.455 1.00 0.00 C ATOM 843 CD1 ILE A 56 13.166 11.102 -34.607 1.00 0.00 C ATOM 0 H ILE A 56 13.335 7.289 -35.227 1.00 0.00 H new ATOM 0 HA ILE A 56 16.139 8.082 -35.286 1.00 0.00 H new ATOM 0 HB ILE A 56 13.902 8.863 -33.390 1.00 0.00 H new ATOM 0 HG12 ILE A 56 14.694 10.333 -35.923 1.00 0.00 H new ATOM 0 HG13 ILE A 56 13.287 9.297 -35.784 1.00 0.00 H new ATOM 0 HG21 ILE A 56 15.313 10.901 -33.070 1.00 0.00 H new ATOM 0 HG22 ILE A 56 16.194 9.418 -32.633 1.00 0.00 H new ATOM 0 HG23 ILE A 56 16.522 10.223 -34.186 1.00 0.00 H new ATOM 0 HD11 ILE A 56 12.673 11.665 -35.400 1.00 0.00 H new ATOM 0 HD12 ILE A 56 12.416 10.708 -33.922 1.00 0.00 H new ATOM 0 HD13 ILE A 56 13.844 11.759 -34.063 1.00 0.00 H new ATOM 855 N SER A 57 14.850 6.052 -33.058 1.00 0.00 N ATOM 856 CA SER A 57 15.107 5.217 -31.897 1.00 0.00 C ATOM 857 C SER A 57 14.422 3.861 -32.016 1.00 0.00 C ATOM 858 O SER A 57 13.341 3.747 -32.594 1.00 0.00 O ATOM 859 CB SER A 57 14.640 5.950 -30.638 1.00 0.00 C ATOM 860 OG SER A 57 14.699 5.096 -29.517 1.00 0.00 O ATOM 0 H SER A 57 13.949 5.877 -33.503 1.00 0.00 H new ATOM 0 HA SER A 57 16.179 5.028 -31.835 1.00 0.00 H new ATOM 0 HB2 SER A 57 15.265 6.827 -30.468 1.00 0.00 H new ATOM 0 HB3 SER A 57 13.620 6.308 -30.776 1.00 0.00 H new ATOM 0 HG SER A 57 14.399 5.581 -28.720 1.00 0.00 H new ATOM 866 N ALA A 58 15.068 2.833 -31.461 1.00 0.00 N ATOM 867 CA ALA A 58 14.591 1.464 -31.483 1.00 0.00 C ATOM 868 C ALA A 58 15.116 0.747 -30.241 1.00 0.00 C ATOM 869 O ALA A 58 16.243 0.995 -29.806 1.00 0.00 O ATOM 870 CB ALA A 58 15.074 0.788 -32.766 1.00 0.00 C ATOM 0 H ALA A 58 15.958 2.941 -30.974 1.00 0.00 H new ATOM 0 HA ALA A 58 13.502 1.428 -31.471 1.00 0.00 H new ATOM 0 HB1 ALA A 58 14.719 -0.242 -32.790 1.00 0.00 H new ATOM 0 HB2 ALA A 58 14.684 1.326 -33.630 1.00 0.00 H new ATOM 0 HB3 ALA A 58 16.164 0.797 -32.794 1.00 0.00 H new ATOM 876 N LYS A 59 14.306 -0.142 -29.663 1.00 0.00 N ATOM 877 CA LYS A 59 14.641 -0.803 -28.411 1.00 0.00 C ATOM 878 C LYS A 59 13.860 -2.101 -28.236 1.00 0.00 C ATOM 879 O LYS A 59 12.692 -2.178 -28.603 1.00 0.00 O ATOM 880 CB LYS A 59 14.326 0.180 -27.273 1.00 0.00 C ATOM 881 CG LYS A 59 14.544 -0.386 -25.862 1.00 0.00 C ATOM 882 CD LYS A 59 15.985 -0.834 -25.603 1.00 0.00 C ATOM 883 CE LYS A 59 16.990 0.268 -25.947 1.00 0.00 C ATOM 884 NZ LYS A 59 18.374 -0.163 -25.674 1.00 0.00 N ATOM 0 H LYS A 59 13.405 -0.420 -30.051 1.00 0.00 H new ATOM 0 HA LYS A 59 15.697 -1.074 -28.405 1.00 0.00 H new ATOM 0 HB2 LYS A 59 14.947 1.067 -27.394 1.00 0.00 H new ATOM 0 HB3 LYS A 59 13.289 0.502 -27.365 1.00 0.00 H new ATOM 0 HG2 LYS A 59 14.269 0.372 -25.128 1.00 0.00 H new ATOM 0 HG3 LYS A 59 13.875 -1.233 -25.711 1.00 0.00 H new ATOM 0 HD2 LYS A 59 16.096 -1.114 -24.556 1.00 0.00 H new ATOM 0 HD3 LYS A 59 16.202 -1.723 -26.196 1.00 0.00 H new ATOM 0 HE2 LYS A 59 16.892 0.537 -26.999 1.00 0.00 H new ATOM 0 HE3 LYS A 59 16.764 1.163 -25.367 1.00 0.00 H new ATOM 0 HZ1 LYS A 59 18.999 0.668 -25.654 1.00 0.00 H new ATOM 0 HZ2 LYS A 59 18.412 -0.647 -24.754 1.00 0.00 H new ATOM 0 HZ3 LYS A 59 18.689 -0.814 -26.421 1.00 0.00 H new ATOM 898 N VAL A 60 14.515 -3.117 -27.668 1.00 0.00 N ATOM 899 CA VAL A 60 13.858 -4.336 -27.224 1.00 0.00 C ATOM 900 C VAL A 60 14.110 -4.385 -25.725 1.00 0.00 C ATOM 901 O VAL A 60 15.247 -4.210 -25.285 1.00 0.00 O ATOM 902 CB VAL A 60 14.440 -5.563 -27.930 1.00 0.00 C ATOM 903 CG1 VAL A 60 14.004 -6.855 -27.236 1.00 0.00 C ATOM 904 CG2 VAL A 60 13.952 -5.592 -29.376 1.00 0.00 C ATOM 0 H VAL A 60 15.522 -3.111 -27.505 1.00 0.00 H new ATOM 0 HA VAL A 60 12.793 -4.341 -27.458 1.00 0.00 H new ATOM 0 HB VAL A 60 15.527 -5.495 -27.894 1.00 0.00 H new ATOM 0 HG11 VAL A 60 14.432 -7.711 -27.758 1.00 0.00 H new ATOM 0 HG12 VAL A 60 14.353 -6.849 -26.203 1.00 0.00 H new ATOM 0 HG13 VAL A 60 12.916 -6.927 -27.251 1.00 0.00 H new ATOM 0 HG21 VAL A 60 14.365 -6.465 -29.882 1.00 0.00 H new ATOM 0 HG22 VAL A 60 12.863 -5.645 -29.392 1.00 0.00 H new ATOM 0 HG23 VAL A 60 14.279 -4.687 -29.889 1.00 0.00 H new ATOM 914 N PHE A 61 13.060 -4.618 -24.941 1.00 0.00 N ATOM 915 CA PHE A 61 13.164 -4.531 -23.499 1.00 0.00 C ATOM 916 C PHE A 61 13.875 -5.692 -22.810 1.00 0.00 C ATOM 917 O PHE A 61 13.782 -6.832 -23.266 1.00 0.00 O ATOM 918 CB PHE A 61 11.811 -4.167 -22.890 1.00 0.00 C ATOM 919 CG PHE A 61 11.403 -2.741 -23.201 1.00 0.00 C ATOM 920 CD1 PHE A 61 12.231 -1.674 -22.832 1.00 0.00 C ATOM 921 CD2 PHE A 61 10.199 -2.486 -23.871 1.00 0.00 C ATOM 922 CE1 PHE A 61 11.848 -0.355 -23.110 1.00 0.00 C ATOM 923 CE2 PHE A 61 9.814 -1.171 -24.156 1.00 0.00 C ATOM 924 CZ PHE A 61 10.640 -0.103 -23.774 1.00 0.00 C ATOM 0 H PHE A 61 12.133 -4.867 -25.285 1.00 0.00 H new ATOM 0 HA PHE A 61 13.854 -3.713 -23.295 1.00 0.00 H new ATOM 0 HB2 PHE A 61 11.050 -4.850 -23.267 1.00 0.00 H new ATOM 0 HB3 PHE A 61 11.854 -4.302 -21.809 1.00 0.00 H new ATOM 0 HD1 PHE A 61 13.168 -1.868 -22.331 1.00 0.00 H new ATOM 0 HD2 PHE A 61 9.565 -3.308 -24.169 1.00 0.00 H new ATOM 0 HE1 PHE A 61 12.483 0.466 -22.813 1.00 0.00 H new ATOM 0 HE2 PHE A 61 8.883 -0.979 -24.669 1.00 0.00 H new ATOM 0 HZ PHE A 61 10.345 0.913 -23.992 1.00 0.00 H new ATOM 934 N ILE A 62 14.583 -5.401 -21.713 1.00 0.00 N ATOM 935 CA ILE A 62 15.389 -6.383 -21.001 1.00 0.00 C ATOM 936 C ILE A 62 15.132 -6.283 -19.499 1.00 0.00 C ATOM 937 O ILE A 62 14.898 -5.194 -18.979 1.00 0.00 O ATOM 938 CB ILE A 62 16.878 -6.153 -21.307 1.00 0.00 C ATOM 939 CG1 ILE A 62 17.209 -6.194 -22.804 1.00 0.00 C ATOM 940 CG2 ILE A 62 17.725 -7.182 -20.555 1.00 0.00 C ATOM 941 CD1 ILE A 62 17.018 -7.573 -23.435 1.00 0.00 C ATOM 0 H ILE A 62 14.609 -4.470 -21.297 1.00 0.00 H new ATOM 0 HA ILE A 62 15.111 -7.383 -21.333 1.00 0.00 H new ATOM 0 HB ILE A 62 17.115 -5.145 -20.968 1.00 0.00 H new ATOM 0 HG12 ILE A 62 16.579 -5.474 -23.327 1.00 0.00 H new ATOM 0 HG13 ILE A 62 18.242 -5.878 -22.948 1.00 0.00 H new ATOM 0 HG21 ILE A 62 18.780 -7.016 -20.775 1.00 0.00 H new ATOM 0 HG22 ILE A 62 17.557 -7.078 -19.483 1.00 0.00 H new ATOM 0 HG23 ILE A 62 17.443 -8.186 -20.871 1.00 0.00 H new ATOM 0 HD11 ILE A 62 17.271 -7.527 -24.494 1.00 0.00 H new ATOM 0 HD12 ILE A 62 17.668 -8.294 -22.938 1.00 0.00 H new ATOM 0 HD13 ILE A 62 15.979 -7.884 -23.323 1.00 0.00 H new ATOM 953 N ASP A 63 15.172 -7.417 -18.795 1.00 0.00 N ATOM 954 CA ASP A 63 14.994 -7.444 -17.350 1.00 0.00 C ATOM 955 C ASP A 63 16.350 -7.177 -16.699 1.00 0.00 C ATOM 956 O ASP A 63 17.337 -7.827 -17.038 1.00 0.00 O ATOM 957 CB ASP A 63 14.464 -8.823 -16.947 1.00 0.00 C ATOM 958 CG ASP A 63 14.076 -8.887 -15.472 1.00 0.00 C ATOM 959 OD1 ASP A 63 14.344 -7.900 -14.753 1.00 0.00 O ATOM 960 OD2 ASP A 63 13.509 -9.928 -15.074 1.00 0.00 O ATOM 0 H ASP A 63 15.328 -8.335 -19.212 1.00 0.00 H new ATOM 0 HA ASP A 63 14.282 -6.685 -17.025 1.00 0.00 H new ATOM 0 HB2 ASP A 63 13.597 -9.069 -17.559 1.00 0.00 H new ATOM 0 HB3 ASP A 63 15.224 -9.576 -17.153 1.00 0.00 H new ATOM 965 N LYS A 64 16.420 -6.225 -15.763 1.00 0.00 N ATOM 966 CA LYS A 64 17.673 -5.902 -15.090 1.00 0.00 C ATOM 967 C LYS A 64 18.045 -6.950 -14.042 1.00 0.00 C ATOM 968 O LYS A 64 19.164 -6.942 -13.533 1.00 0.00 O ATOM 969 CB LYS A 64 17.601 -4.503 -14.458 1.00 0.00 C ATOM 970 CG LYS A 64 16.689 -4.391 -13.228 1.00 0.00 C ATOM 971 CD LYS A 64 15.190 -4.444 -13.543 1.00 0.00 C ATOM 972 CE LYS A 64 14.765 -3.328 -14.501 1.00 0.00 C ATOM 973 NZ LYS A 64 15.000 -1.994 -13.919 1.00 0.00 N ATOM 0 H LYS A 64 15.622 -5.668 -15.458 1.00 0.00 H new ATOM 0 HA LYS A 64 18.460 -5.906 -15.845 1.00 0.00 H new ATOM 0 HB2 LYS A 64 18.608 -4.197 -14.174 1.00 0.00 H new ATOM 0 HB3 LYS A 64 17.255 -3.797 -15.213 1.00 0.00 H new ATOM 0 HG2 LYS A 64 16.931 -5.198 -12.537 1.00 0.00 H new ATOM 0 HG3 LYS A 64 16.907 -3.455 -12.714 1.00 0.00 H new ATOM 0 HD2 LYS A 64 14.946 -5.411 -13.982 1.00 0.00 H new ATOM 0 HD3 LYS A 64 14.622 -4.362 -12.616 1.00 0.00 H new ATOM 0 HE2 LYS A 64 15.318 -3.420 -15.436 1.00 0.00 H new ATOM 0 HE3 LYS A 64 13.708 -3.439 -14.743 1.00 0.00 H new ATOM 0 HZ1 LYS A 64 14.579 -1.268 -14.533 1.00 0.00 H new ATOM 0 HZ2 LYS A 64 14.564 -1.945 -12.976 1.00 0.00 H new ATOM 0 HZ3 LYS A 64 16.023 -1.827 -13.837 1.00 0.00 H new ATOM 987 N GLN A 65 17.118 -7.856 -13.711 1.00 0.00 N ATOM 988 CA GLN A 65 17.337 -8.890 -12.707 1.00 0.00 C ATOM 989 C GLN A 65 17.900 -10.181 -13.295 1.00 0.00 C ATOM 990 O GLN A 65 18.500 -10.978 -12.578 1.00 0.00 O ATOM 991 CB GLN A 65 15.996 -9.215 -12.051 1.00 0.00 C ATOM 992 CG GLN A 65 15.427 -8.031 -11.263 1.00 0.00 C ATOM 993 CD GLN A 65 16.284 -7.694 -10.049 1.00 0.00 C ATOM 994 OE1 GLN A 65 17.262 -6.809 -10.218 1.00 0.00 O flip ATOM 995 NE2 GLN A 65 16.075 -8.226 -8.964 1.00 0.00 N flip ATOM 0 H GLN A 65 16.192 -7.888 -14.137 1.00 0.00 H new ATOM 0 HA GLN A 65 18.066 -8.504 -11.994 1.00 0.00 H new ATOM 0 HB2 GLN A 65 15.282 -9.513 -12.819 1.00 0.00 H new ATOM 0 HB3 GLN A 65 16.119 -10.067 -11.382 1.00 0.00 H new ATOM 0 HG2 GLN A 65 15.361 -7.159 -11.914 1.00 0.00 H new ATOM 0 HG3 GLN A 65 14.413 -8.264 -10.938 1.00 0.00 H new ATOM 0 HE21 GLN A 65 15.317 -8.901 -8.865 1.00 0.00 H new ATOM 0 HE22 GLN A 65 16.659 -7.993 -8.161 1.00 0.00 H new ATOM 1004 N THR A 66 17.706 -10.390 -14.600 1.00 0.00 N ATOM 1005 CA THR A 66 18.067 -11.635 -15.268 1.00 0.00 C ATOM 1006 C THR A 66 18.718 -11.456 -16.630 1.00 0.00 C ATOM 1007 O THR A 66 19.257 -12.404 -17.197 1.00 0.00 O ATOM 1008 CB THR A 66 16.871 -12.588 -15.347 1.00 0.00 C ATOM 1009 OG1 THR A 66 16.160 -12.327 -16.537 1.00 0.00 O ATOM 1010 CG2 THR A 66 15.894 -12.411 -14.185 1.00 0.00 C ATOM 0 H THR A 66 17.292 -9.695 -15.222 1.00 0.00 H new ATOM 0 HA THR A 66 18.837 -12.083 -14.640 1.00 0.00 H new ATOM 0 HB THR A 66 17.269 -13.602 -15.312 1.00 0.00 H new ATOM 0 HG1 THR A 66 15.392 -12.933 -16.599 1.00 0.00 H new ATOM 0 HG21 THR A 66 15.067 -13.113 -14.295 1.00 0.00 H new ATOM 0 HG22 THR A 66 16.410 -12.602 -13.244 1.00 0.00 H new ATOM 0 HG23 THR A 66 15.508 -11.392 -14.187 1.00 0.00 H new ATOM 1018 N ASN A 67 18.662 -10.224 -17.142 1.00 0.00 N ATOM 1019 CA ASN A 67 19.184 -9.847 -18.450 1.00 0.00 C ATOM 1020 C ASN A 67 18.509 -10.600 -19.601 1.00 0.00 C ATOM 1021 O ASN A 67 18.972 -10.534 -20.737 1.00 0.00 O ATOM 1022 CB ASN A 67 20.711 -9.958 -18.465 1.00 0.00 C ATOM 1023 CG ASN A 67 21.377 -8.996 -17.489 1.00 0.00 C ATOM 1024 OD1 ASN A 67 20.776 -8.029 -17.032 1.00 0.00 O ATOM 1025 ND2 ASN A 67 22.640 -9.258 -17.163 1.00 0.00 N ATOM 0 H ASN A 67 18.240 -9.442 -16.641 1.00 0.00 H new ATOM 0 HA ASN A 67 18.931 -8.801 -18.623 1.00 0.00 H new ATOM 0 HB2 ASN A 67 21.000 -10.979 -18.217 1.00 0.00 H new ATOM 0 HB3 ASN A 67 21.076 -9.759 -19.472 1.00 0.00 H new ATOM 0 HD21 ASN A 67 23.137 -8.646 -16.515 1.00 0.00 H new ATOM 0 HD22 ASN A 67 23.111 -10.070 -17.561 1.00 0.00 H new ATOM 1032 N LEU A 68 17.417 -11.318 -19.319 1.00 0.00 N ATOM 1033 CA LEU A 68 16.650 -12.016 -20.339 1.00 0.00 C ATOM 1034 C LEU A 68 15.694 -11.045 -21.030 1.00 0.00 C ATOM 1035 O LEU A 68 15.372 -9.982 -20.498 1.00 0.00 O ATOM 1036 CB LEU A 68 15.886 -13.190 -19.715 1.00 0.00 C ATOM 1037 CG LEU A 68 16.823 -14.213 -19.063 1.00 0.00 C ATOM 1038 CD1 LEU A 68 15.991 -15.343 -18.464 1.00 0.00 C ATOM 1039 CD2 LEU A 68 17.797 -14.809 -20.078 1.00 0.00 C ATOM 0 H LEU A 68 17.045 -11.428 -18.375 1.00 0.00 H new ATOM 0 HA LEU A 68 17.332 -12.416 -21.089 1.00 0.00 H new ATOM 0 HB2 LEU A 68 15.189 -12.811 -18.968 1.00 0.00 H new ATOM 0 HB3 LEU A 68 15.291 -13.683 -20.484 1.00 0.00 H new ATOM 0 HG LEU A 68 17.397 -13.700 -18.292 1.00 0.00 H new ATOM 0 HD11 LEU A 68 16.652 -16.074 -17.999 1.00 0.00 H new ATOM 0 HD12 LEU A 68 15.313 -14.937 -17.713 1.00 0.00 H new ATOM 0 HD13 LEU A 68 15.413 -15.826 -19.252 1.00 0.00 H new ATOM 0 HD21 LEU A 68 18.445 -15.530 -19.580 1.00 0.00 H new ATOM 0 HD22 LEU A 68 17.238 -15.309 -20.868 1.00 0.00 H new ATOM 0 HD23 LEU A 68 18.404 -14.013 -20.511 1.00 0.00 H new ATOM 1051 N SER A 69 15.239 -11.418 -22.229 1.00 0.00 N ATOM 1052 CA SER A 69 14.363 -10.573 -23.029 1.00 0.00 C ATOM 1053 C SER A 69 12.968 -10.463 -22.418 1.00 0.00 C ATOM 1054 O SER A 69 12.438 -11.430 -21.871 1.00 0.00 O ATOM 1055 CB SER A 69 14.281 -11.122 -24.451 1.00 0.00 C ATOM 1056 OG SER A 69 13.348 -10.376 -25.204 1.00 0.00 O ATOM 0 H SER A 69 15.469 -12.310 -22.666 1.00 0.00 H new ATOM 0 HA SER A 69 14.786 -9.569 -23.050 1.00 0.00 H new ATOM 0 HB2 SER A 69 15.262 -11.077 -24.924 1.00 0.00 H new ATOM 0 HB3 SER A 69 13.986 -12.171 -24.428 1.00 0.00 H new ATOM 0 HG SER A 69 13.332 -9.451 -24.881 1.00 0.00 H new ATOM 1062 N LYS A 70 12.375 -9.269 -22.520 1.00 0.00 N ATOM 1063 CA LYS A 70 11.007 -9.007 -22.092 1.00 0.00 C ATOM 1064 C LYS A 70 10.004 -9.387 -23.182 1.00 0.00 C ATOM 1065 O LYS A 70 8.797 -9.246 -22.985 1.00 0.00 O ATOM 1066 CB LYS A 70 10.855 -7.532 -21.713 1.00 0.00 C ATOM 1067 CG LYS A 70 11.626 -7.168 -20.440 1.00 0.00 C ATOM 1068 CD LYS A 70 10.971 -7.818 -19.221 1.00 0.00 C ATOM 1069 CE LYS A 70 11.507 -7.178 -17.942 1.00 0.00 C ATOM 1070 NZ LYS A 70 10.877 -7.754 -16.740 1.00 0.00 N ATOM 0 H LYS A 70 12.843 -8.450 -22.908 1.00 0.00 H new ATOM 0 HA LYS A 70 10.796 -9.623 -21.218 1.00 0.00 H new ATOM 0 HB2 LYS A 70 11.207 -6.911 -22.537 1.00 0.00 H new ATOM 0 HB3 LYS A 70 9.799 -7.304 -21.571 1.00 0.00 H new ATOM 0 HG2 LYS A 70 12.661 -7.499 -20.526 1.00 0.00 H new ATOM 0 HG3 LYS A 70 11.647 -6.085 -20.316 1.00 0.00 H new ATOM 0 HD2 LYS A 70 9.889 -7.699 -19.272 1.00 0.00 H new ATOM 0 HD3 LYS A 70 11.174 -8.889 -19.215 1.00 0.00 H new ATOM 0 HE2 LYS A 70 12.587 -7.318 -17.890 1.00 0.00 H new ATOM 0 HE3 LYS A 70 11.326 -6.104 -17.969 1.00 0.00 H new ATOM 0 HZ1 LYS A 70 11.265 -7.296 -15.891 1.00 0.00 H new ATOM 0 HZ2 LYS A 70 9.849 -7.598 -16.778 1.00 0.00 H new ATOM 0 HZ3 LYS A 70 11.071 -8.775 -16.702 1.00 0.00 H new ATOM 1084 N CYS A 71 10.496 -9.868 -24.329 1.00 0.00 N ATOM 1085 CA CYS A 71 9.673 -10.278 -25.456 1.00 0.00 C ATOM 1086 C CYS A 71 8.814 -9.163 -26.064 1.00 0.00 C ATOM 1087 O CYS A 71 7.840 -9.453 -26.762 1.00 0.00 O ATOM 1088 CB CYS A 71 8.867 -11.533 -25.103 1.00 0.00 C ATOM 1089 SG CYS A 71 10.001 -12.931 -24.908 1.00 0.00 S ATOM 0 H CYS A 71 11.496 -9.983 -24.496 1.00 0.00 H new ATOM 0 HA CYS A 71 10.362 -10.530 -26.262 1.00 0.00 H new ATOM 0 HB2 CYS A 71 8.306 -11.373 -24.182 1.00 0.00 H new ATOM 0 HB3 CYS A 71 8.140 -11.745 -25.887 1.00 0.00 H new ATOM 0 HG CYS A 71 9.325 -13.999 -24.606 1.00 0.00 H new ATOM 1095 N PHE A 72 9.152 -7.894 -25.819 1.00 0.00 N ATOM 1096 CA PHE A 72 8.430 -6.785 -26.434 1.00 0.00 C ATOM 1097 C PHE A 72 9.419 -5.615 -26.434 1.00 0.00 C ATOM 1098 O PHE A 72 10.485 -5.690 -25.822 1.00 0.00 O ATOM 1099 CB PHE A 72 7.193 -6.471 -25.587 1.00 0.00 C ATOM 1100 CG PHE A 72 7.372 -5.486 -24.457 1.00 0.00 C ATOM 1101 CD1 PHE A 72 8.053 -5.850 -23.290 1.00 0.00 C ATOM 1102 CD2 PHE A 72 6.834 -4.197 -24.584 1.00 0.00 C ATOM 1103 CE1 PHE A 72 8.195 -4.927 -22.243 1.00 0.00 C ATOM 1104 CE2 PHE A 72 6.965 -3.279 -23.535 1.00 0.00 C ATOM 1105 CZ PHE A 72 7.645 -3.645 -22.363 1.00 0.00 C ATOM 0 H PHE A 72 9.916 -7.614 -25.203 1.00 0.00 H new ATOM 0 HA PHE A 72 8.085 -7.002 -27.445 1.00 0.00 H new ATOM 0 HB2 PHE A 72 6.416 -6.090 -26.250 1.00 0.00 H new ATOM 0 HB3 PHE A 72 6.823 -7.406 -25.167 1.00 0.00 H new ATOM 0 HD1 PHE A 72 8.469 -6.842 -23.195 1.00 0.00 H new ATOM 0 HD2 PHE A 72 6.319 -3.913 -25.490 1.00 0.00 H new ATOM 0 HE1 PHE A 72 8.728 -5.205 -21.346 1.00 0.00 H new ATOM 0 HE2 PHE A 72 6.543 -2.289 -23.628 1.00 0.00 H new ATOM 0 HZ PHE A 72 7.744 -2.937 -21.553 1.00 0.00 H new ATOM 1115 N GLY A 73 9.070 -4.526 -27.125 1.00 0.00 N ATOM 1116 CA GLY A 73 9.979 -3.402 -27.300 1.00 0.00 C ATOM 1117 C GLY A 73 9.285 -2.121 -27.755 1.00 0.00 C ATOM 1118 O GLY A 73 8.060 -2.016 -27.738 1.00 0.00 O ATOM 0 H GLY A 73 8.161 -4.404 -27.571 1.00 0.00 H new ATOM 0 HA2 GLY A 73 10.494 -3.212 -26.358 1.00 0.00 H new ATOM 0 HA3 GLY A 73 10.741 -3.672 -28.031 1.00 0.00 H new ATOM 1122 N PHE A 74 10.111 -1.153 -28.161 1.00 0.00 N ATOM 1123 CA PHE A 74 9.724 0.201 -28.536 1.00 0.00 C ATOM 1124 C PHE A 74 10.479 0.780 -29.734 1.00 0.00 C ATOM 1125 O PHE A 74 11.665 0.510 -29.904 1.00 0.00 O ATOM 1126 CB PHE A 74 9.716 1.108 -27.296 1.00 0.00 C ATOM 1127 CG PHE A 74 9.985 2.571 -27.583 1.00 0.00 C ATOM 1128 CD1 PHE A 74 9.042 3.348 -28.271 1.00 0.00 C ATOM 1129 CD2 PHE A 74 11.195 3.143 -27.166 1.00 0.00 C ATOM 1130 CE1 PHE A 74 9.334 4.681 -28.587 1.00 0.00 C ATOM 1131 CE2 PHE A 74 11.492 4.474 -27.497 1.00 0.00 C ATOM 1132 CZ PHE A 74 10.563 5.242 -28.211 1.00 0.00 C ATOM 0 H PHE A 74 11.117 -1.304 -28.239 1.00 0.00 H new ATOM 0 HA PHE A 74 8.704 0.147 -28.917 1.00 0.00 H new ATOM 0 HB2 PHE A 74 8.747 1.020 -26.804 1.00 0.00 H new ATOM 0 HB3 PHE A 74 10.465 0.746 -26.592 1.00 0.00 H new ATOM 0 HD1 PHE A 74 8.093 2.920 -28.557 1.00 0.00 H new ATOM 0 HD2 PHE A 74 11.898 2.560 -26.590 1.00 0.00 H new ATOM 0 HE1 PHE A 74 8.611 5.278 -29.122 1.00 0.00 H new ATOM 0 HE2 PHE A 74 12.437 4.906 -27.201 1.00 0.00 H new ATOM 0 HZ PHE A 74 10.793 6.265 -28.471 1.00 0.00 H new ATOM 1142 N VAL A 75 9.800 1.576 -30.572 1.00 0.00 N ATOM 1143 CA VAL A 75 10.385 2.174 -31.770 1.00 0.00 C ATOM 1144 C VAL A 75 9.722 3.536 -31.994 1.00 0.00 C ATOM 1145 O VAL A 75 8.590 3.742 -31.558 1.00 0.00 O ATOM 1146 CB VAL A 75 10.145 1.246 -32.974 1.00 0.00 C ATOM 1147 CG1 VAL A 75 10.556 1.906 -34.291 1.00 0.00 C ATOM 1148 CG2 VAL A 75 10.921 -0.068 -32.840 1.00 0.00 C ATOM 0 H VAL A 75 8.820 1.822 -30.432 1.00 0.00 H new ATOM 0 HA VAL A 75 11.460 2.307 -31.652 1.00 0.00 H new ATOM 0 HB VAL A 75 9.074 1.043 -32.984 1.00 0.00 H new ATOM 0 HG11 VAL A 75 10.371 1.218 -35.116 1.00 0.00 H new ATOM 0 HG12 VAL A 75 9.974 2.816 -34.439 1.00 0.00 H new ATOM 0 HG13 VAL A 75 11.617 2.155 -34.258 1.00 0.00 H new ATOM 0 HG21 VAL A 75 10.726 -0.696 -33.709 1.00 0.00 H new ATOM 0 HG22 VAL A 75 11.988 0.144 -32.778 1.00 0.00 H new ATOM 0 HG23 VAL A 75 10.602 -0.589 -31.937 1.00 0.00 H new ATOM 1158 N SER A 76 10.404 4.471 -32.663 1.00 0.00 N ATOM 1159 CA SER A 76 9.826 5.783 -32.939 1.00 0.00 C ATOM 1160 C SER A 76 10.339 6.372 -34.248 1.00 0.00 C ATOM 1161 O SER A 76 11.492 6.165 -34.625 1.00 0.00 O ATOM 1162 CB SER A 76 10.123 6.735 -31.782 1.00 0.00 C ATOM 1163 OG SER A 76 9.448 7.958 -31.988 1.00 0.00 O ATOM 0 H SER A 76 11.351 4.342 -33.020 1.00 0.00 H new ATOM 0 HA SER A 76 8.748 5.654 -33.041 1.00 0.00 H new ATOM 0 HB2 SER A 76 9.806 6.288 -30.840 1.00 0.00 H new ATOM 0 HB3 SER A 76 11.196 6.909 -31.708 1.00 0.00 H new ATOM 0 HG SER A 76 8.705 7.820 -32.612 1.00 0.00 H new ATOM 1169 N TYR A 77 9.465 7.111 -34.940 1.00 0.00 N ATOM 1170 CA TYR A 77 9.764 7.744 -36.216 1.00 0.00 C ATOM 1171 C TYR A 77 9.989 9.251 -36.179 1.00 0.00 C ATOM 1172 O TYR A 77 9.606 9.911 -35.216 1.00 0.00 O ATOM 1173 CB TYR A 77 8.713 7.365 -37.256 1.00 0.00 C ATOM 1174 CG TYR A 77 8.819 5.930 -37.697 1.00 0.00 C ATOM 1175 CD1 TYR A 77 9.578 5.588 -38.825 1.00 0.00 C ATOM 1176 CD2 TYR A 77 8.154 4.940 -36.958 1.00 0.00 C ATOM 1177 CE1 TYR A 77 9.684 4.246 -39.213 1.00 0.00 C ATOM 1178 CE2 TYR A 77 8.250 3.599 -37.349 1.00 0.00 C ATOM 1179 CZ TYR A 77 9.020 3.249 -38.472 1.00 0.00 C ATOM 1180 OH TYR A 77 9.119 1.947 -38.835 1.00 0.00 O ATOM 0 H TYR A 77 8.513 7.285 -34.617 1.00 0.00 H new ATOM 0 HA TYR A 77 10.737 7.346 -36.502 1.00 0.00 H new ATOM 0 HB2 TYR A 77 7.720 7.541 -36.843 1.00 0.00 H new ATOM 0 HB3 TYR A 77 8.817 8.016 -38.124 1.00 0.00 H new ATOM 0 HD1 TYR A 77 10.080 6.357 -39.393 1.00 0.00 H new ATOM 0 HD2 TYR A 77 7.570 5.211 -36.091 1.00 0.00 H new ATOM 0 HE1 TYR A 77 10.273 3.977 -40.077 1.00 0.00 H new ATOM 0 HE2 TYR A 77 7.733 2.834 -36.788 1.00 0.00 H new ATOM 0 HH TYR A 77 10.017 1.773 -39.187 1.00 0.00 H new ATOM 1190 N ASP A 78 10.613 9.798 -37.225 1.00 0.00 N ATOM 1191 CA ASP A 78 10.784 11.236 -37.361 1.00 0.00 C ATOM 1192 C ASP A 78 9.472 11.882 -37.820 1.00 0.00 C ATOM 1193 O ASP A 78 9.332 13.103 -37.796 1.00 0.00 O ATOM 1194 CB ASP A 78 11.917 11.488 -38.355 1.00 0.00 C ATOM 1195 CG ASP A 78 12.272 12.966 -38.515 1.00 0.00 C ATOM 1196 OD1 ASP A 78 12.756 13.320 -39.613 1.00 0.00 O ATOM 1197 OD2 ASP A 78 12.065 13.733 -37.547 1.00 0.00 O ATOM 0 H ASP A 78 11.009 9.256 -37.993 1.00 0.00 H new ATOM 0 HA ASP A 78 11.044 11.686 -36.403 1.00 0.00 H new ATOM 0 HB2 ASP A 78 12.803 10.943 -38.029 1.00 0.00 H new ATOM 0 HB3 ASP A 78 11.634 11.084 -39.327 1.00 0.00 H new ATOM 1202 N ASN A 79 8.502 11.061 -38.233 1.00 0.00 N ATOM 1203 CA ASN A 79 7.173 11.523 -38.602 1.00 0.00 C ATOM 1204 C ASN A 79 6.146 10.407 -38.420 1.00 0.00 C ATOM 1205 O ASN A 79 6.467 9.235 -38.616 1.00 0.00 O ATOM 1206 CB ASN A 79 7.160 12.080 -40.030 1.00 0.00 C ATOM 1207 CG ASN A 79 7.965 11.249 -41.026 1.00 0.00 C ATOM 1208 OD1 ASN A 79 7.863 9.925 -40.959 1.00 0.00 O flip ATOM 1209 ND2 ASN A 79 8.684 11.800 -41.857 1.00 0.00 N flip ATOM 0 H ASN A 79 8.624 10.052 -38.319 1.00 0.00 H new ATOM 0 HA ASN A 79 6.895 12.340 -37.936 1.00 0.00 H new ATOM 0 HB2 ASN A 79 6.128 12.143 -40.375 1.00 0.00 H new ATOM 0 HB3 ASN A 79 7.555 13.096 -40.017 1.00 0.00 H new ATOM 0 HD21 ASN A 79 8.743 12.818 -41.885 1.00 0.00 H new ATOM 0 HD22 ASN A 79 9.222 11.239 -42.518 1.00 0.00 H new ATOM 1216 N PRO A 80 4.908 10.758 -38.048 1.00 0.00 N ATOM 1217 CA PRO A 80 3.863 9.798 -37.748 1.00 0.00 C ATOM 1218 C PRO A 80 3.399 9.032 -38.981 1.00 0.00 C ATOM 1219 O PRO A 80 2.840 7.945 -38.851 1.00 0.00 O ATOM 1220 CB PRO A 80 2.720 10.628 -37.156 1.00 0.00 C ATOM 1221 CG PRO A 80 2.915 11.999 -37.800 1.00 0.00 C ATOM 1222 CD PRO A 80 4.433 12.116 -37.876 1.00 0.00 C ATOM 0 HA PRO A 80 4.224 9.033 -37.061 1.00 0.00 H new ATOM 0 HB2 PRO A 80 1.746 10.204 -37.399 1.00 0.00 H new ATOM 0 HB3 PRO A 80 2.782 10.681 -36.069 1.00 0.00 H new ATOM 0 HG2 PRO A 80 2.454 12.053 -38.786 1.00 0.00 H new ATOM 0 HG3 PRO A 80 2.476 12.796 -37.199 1.00 0.00 H new ATOM 0 HD2 PRO A 80 4.738 12.749 -38.709 1.00 0.00 H new ATOM 0 HD3 PRO A 80 4.840 12.564 -36.969 1.00 0.00 H new ATOM 1230 N VAL A 81 3.617 9.574 -40.182 1.00 0.00 N ATOM 1231 CA VAL A 81 3.179 8.906 -41.398 1.00 0.00 C ATOM 1232 C VAL A 81 3.893 7.569 -41.591 1.00 0.00 C ATOM 1233 O VAL A 81 3.280 6.592 -42.018 1.00 0.00 O ATOM 1234 CB VAL A 81 3.368 9.842 -42.597 1.00 0.00 C ATOM 1235 CG1 VAL A 81 4.840 10.129 -42.891 1.00 0.00 C ATOM 1236 CG2 VAL A 81 2.732 9.235 -43.846 1.00 0.00 C ATOM 0 H VAL A 81 4.090 10.465 -40.332 1.00 0.00 H new ATOM 0 HA VAL A 81 2.117 8.674 -41.311 1.00 0.00 H new ATOM 0 HB VAL A 81 2.883 10.782 -42.336 1.00 0.00 H new ATOM 0 HG11 VAL A 81 4.916 10.797 -43.749 1.00 0.00 H new ATOM 0 HG12 VAL A 81 5.299 10.601 -42.022 1.00 0.00 H new ATOM 0 HG13 VAL A 81 5.356 9.194 -43.111 1.00 0.00 H new ATOM 0 HG21 VAL A 81 2.873 9.909 -44.691 1.00 0.00 H new ATOM 0 HG22 VAL A 81 3.202 8.276 -44.065 1.00 0.00 H new ATOM 0 HG23 VAL A 81 1.666 9.085 -43.675 1.00 0.00 H new ATOM 1246 N SER A 82 5.189 7.522 -41.271 1.00 0.00 N ATOM 1247 CA SER A 82 5.966 6.295 -41.369 1.00 0.00 C ATOM 1248 C SER A 82 5.611 5.333 -40.238 1.00 0.00 C ATOM 1249 O SER A 82 5.790 4.127 -40.376 1.00 0.00 O ATOM 1250 CB SER A 82 7.456 6.626 -41.311 1.00 0.00 C ATOM 1251 OG SER A 82 7.820 7.420 -42.422 1.00 0.00 O ATOM 0 H SER A 82 5.720 8.328 -40.940 1.00 0.00 H new ATOM 0 HA SER A 82 5.731 5.813 -42.318 1.00 0.00 H new ATOM 0 HB2 SER A 82 7.683 7.155 -40.386 1.00 0.00 H new ATOM 0 HB3 SER A 82 8.041 5.706 -41.304 1.00 0.00 H new ATOM 0 HG SER A 82 7.910 8.355 -42.141 1.00 0.00 H new ATOM 1257 N ALA A 83 5.108 5.865 -39.121 1.00 0.00 N ATOM 1258 CA ALA A 83 4.758 5.037 -37.979 1.00 0.00 C ATOM 1259 C ALA A 83 3.481 4.253 -38.254 1.00 0.00 C ATOM 1260 O ALA A 83 3.437 3.049 -38.020 1.00 0.00 O ATOM 1261 CB ALA A 83 4.592 5.919 -36.741 1.00 0.00 C ATOM 0 H ALA A 83 4.937 6.862 -38.990 1.00 0.00 H new ATOM 0 HA ALA A 83 5.559 4.320 -37.801 1.00 0.00 H new ATOM 0 HB1 ALA A 83 4.329 5.298 -35.884 1.00 0.00 H new ATOM 0 HB2 ALA A 83 5.527 6.441 -36.538 1.00 0.00 H new ATOM 0 HB3 ALA A 83 3.801 6.648 -36.917 1.00 0.00 H new ATOM 1267 N GLN A 84 2.437 4.923 -38.753 1.00 0.00 N ATOM 1268 CA GLN A 84 1.169 4.254 -38.992 1.00 0.00 C ATOM 1269 C GLN A 84 1.311 3.229 -40.116 1.00 0.00 C ATOM 1270 O GLN A 84 0.607 2.221 -40.124 1.00 0.00 O ATOM 1271 CB GLN A 84 0.093 5.292 -39.331 1.00 0.00 C ATOM 1272 CG GLN A 84 -0.061 6.323 -38.209 1.00 0.00 C ATOM 1273 CD GLN A 84 -0.299 5.689 -36.844 1.00 0.00 C ATOM 1274 OE1 GLN A 84 -1.035 4.715 -36.717 1.00 0.00 O ATOM 1275 NE2 GLN A 84 0.326 6.238 -35.806 1.00 0.00 N ATOM 0 H GLN A 84 2.450 5.914 -38.994 1.00 0.00 H new ATOM 0 HA GLN A 84 0.869 3.722 -38.089 1.00 0.00 H new ATOM 0 HB2 GLN A 84 0.354 5.799 -40.260 1.00 0.00 H new ATOM 0 HB3 GLN A 84 -0.860 4.790 -39.499 1.00 0.00 H new ATOM 0 HG2 GLN A 84 0.836 6.940 -38.165 1.00 0.00 H new ATOM 0 HG3 GLN A 84 -0.893 6.987 -38.445 1.00 0.00 H new ATOM 0 HE21 GLN A 84 0.931 7.047 -35.945 1.00 0.00 H new ATOM 0 HE22 GLN A 84 0.200 5.850 -34.871 1.00 0.00 H new ATOM 1284 N ALA A 85 2.221 3.474 -41.065 1.00 0.00 N ATOM 1285 CA ALA A 85 2.499 2.508 -42.109 1.00 0.00 C ATOM 1286 C ALA A 85 3.162 1.270 -41.512 1.00 0.00 C ATOM 1287 O ALA A 85 2.813 0.148 -41.869 1.00 0.00 O ATOM 1288 CB ALA A 85 3.426 3.135 -43.144 1.00 0.00 C ATOM 0 H ALA A 85 2.770 4.332 -41.123 1.00 0.00 H new ATOM 0 HA ALA A 85 1.563 2.215 -42.585 1.00 0.00 H new ATOM 0 HB1 ALA A 85 3.637 2.410 -43.930 1.00 0.00 H new ATOM 0 HB2 ALA A 85 2.946 4.012 -43.578 1.00 0.00 H new ATOM 0 HB3 ALA A 85 4.359 3.432 -42.665 1.00 0.00 H new ATOM 1294 N ALA A 86 4.117 1.473 -40.598 1.00 0.00 N ATOM 1295 CA ALA A 86 4.834 0.378 -39.969 1.00 0.00 C ATOM 1296 C ALA A 86 3.934 -0.478 -39.076 1.00 0.00 C ATOM 1297 O ALA A 86 4.219 -1.658 -38.885 1.00 0.00 O ATOM 1298 CB ALA A 86 5.992 0.951 -39.162 1.00 0.00 C ATOM 0 H ALA A 86 4.407 2.398 -40.281 1.00 0.00 H new ATOM 0 HA ALA A 86 5.205 -0.281 -40.754 1.00 0.00 H new ATOM 0 HB1 ALA A 86 6.539 0.139 -38.684 1.00 0.00 H new ATOM 0 HB2 ALA A 86 6.662 1.499 -39.825 1.00 0.00 H new ATOM 0 HB3 ALA A 86 5.605 1.626 -38.399 1.00 0.00 H new ATOM 1304 N ILE A 87 2.851 0.083 -38.525 1.00 0.00 N ATOM 1305 CA ILE A 87 1.902 -0.722 -37.765 1.00 0.00 C ATOM 1306 C ILE A 87 1.245 -1.726 -38.698 1.00 0.00 C ATOM 1307 O ILE A 87 1.243 -2.922 -38.422 1.00 0.00 O ATOM 1308 CB ILE A 87 0.827 0.145 -37.097 1.00 0.00 C ATOM 1309 CG1 ILE A 87 1.463 1.098 -36.082 1.00 0.00 C ATOM 1310 CG2 ILE A 87 -0.205 -0.751 -36.403 1.00 0.00 C ATOM 1311 CD1 ILE A 87 0.422 1.890 -35.286 1.00 0.00 C ATOM 0 H ILE A 87 2.617 1.074 -38.592 1.00 0.00 H new ATOM 0 HA ILE A 87 2.447 -1.238 -36.974 1.00 0.00 H new ATOM 0 HB ILE A 87 0.328 0.739 -37.863 1.00 0.00 H new ATOM 0 HG12 ILE A 87 2.085 0.527 -35.393 1.00 0.00 H new ATOM 0 HG13 ILE A 87 2.121 1.792 -36.604 1.00 0.00 H new ATOM 0 HG21 ILE A 87 -0.966 -0.130 -35.930 1.00 0.00 H new ATOM 0 HG22 ILE A 87 -0.674 -1.403 -37.139 1.00 0.00 H new ATOM 0 HG23 ILE A 87 0.291 -1.358 -35.645 1.00 0.00 H new ATOM 0 HD11 ILE A 87 0.928 2.550 -34.581 1.00 0.00 H new ATOM 0 HD12 ILE A 87 -0.183 2.485 -35.970 1.00 0.00 H new ATOM 0 HD13 ILE A 87 -0.221 1.200 -34.740 1.00 0.00 H new ATOM 1323 N GLN A 88 0.690 -1.237 -39.806 1.00 0.00 N ATOM 1324 CA GLN A 88 0.019 -2.094 -40.770 1.00 0.00 C ATOM 1325 C GLN A 88 1.012 -3.009 -41.489 1.00 0.00 C ATOM 1326 O GLN A 88 0.598 -3.934 -42.185 1.00 0.00 O ATOM 1327 CB GLN A 88 -0.737 -1.227 -41.780 1.00 0.00 C ATOM 1328 CG GLN A 88 -1.779 -0.333 -41.102 1.00 0.00 C ATOM 1329 CD GLN A 88 -2.880 -1.123 -40.400 1.00 0.00 C ATOM 1330 OE1 GLN A 88 -3.048 -2.321 -40.619 1.00 0.00 O ATOM 1331 NE2 GLN A 88 -3.647 -0.452 -39.545 1.00 0.00 N ATOM 0 H GLN A 88 0.694 -0.248 -40.055 1.00 0.00 H new ATOM 0 HA GLN A 88 -0.686 -2.731 -40.236 1.00 0.00 H new ATOM 0 HB2 GLN A 88 -0.028 -0.606 -42.327 1.00 0.00 H new ATOM 0 HB3 GLN A 88 -1.230 -1.868 -42.511 1.00 0.00 H new ATOM 0 HG2 GLN A 88 -1.281 0.309 -40.375 1.00 0.00 H new ATOM 0 HG3 GLN A 88 -2.229 0.321 -41.849 1.00 0.00 H new ATOM 0 HE21 GLN A 88 -3.483 0.542 -39.384 1.00 0.00 H new ATOM 0 HE22 GLN A 88 -4.399 -0.931 -39.050 1.00 0.00 H new ATOM 1340 N ALA A 89 2.311 -2.753 -41.322 1.00 0.00 N ATOM 1341 CA ALA A 89 3.349 -3.534 -41.970 1.00 0.00 C ATOM 1342 C ALA A 89 3.784 -4.741 -41.139 1.00 0.00 C ATOM 1343 O ALA A 89 4.161 -5.760 -41.716 1.00 0.00 O ATOM 1344 CB ALA A 89 4.547 -2.621 -42.222 1.00 0.00 C ATOM 0 H ALA A 89 2.665 -1.999 -40.734 1.00 0.00 H new ATOM 0 HA ALA A 89 2.948 -3.926 -42.905 1.00 0.00 H new ATOM 0 HB1 ALA A 89 5.340 -3.188 -42.709 1.00 0.00 H new ATOM 0 HB2 ALA A 89 4.245 -1.794 -42.864 1.00 0.00 H new ATOM 0 HB3 ALA A 89 4.912 -2.229 -41.273 1.00 0.00 H new ATOM 1350 N MET A 90 3.739 -4.649 -39.803 1.00 0.00 N ATOM 1351 CA MET A 90 4.195 -5.745 -38.948 1.00 0.00 C ATOM 1352 C MET A 90 3.155 -6.252 -37.954 1.00 0.00 C ATOM 1353 O MET A 90 3.353 -7.309 -37.357 1.00 0.00 O ATOM 1354 CB MET A 90 5.497 -5.371 -38.243 1.00 0.00 C ATOM 1355 CG MET A 90 6.649 -5.378 -39.248 1.00 0.00 C ATOM 1356 SD MET A 90 8.297 -5.465 -38.501 1.00 0.00 S ATOM 1357 CE MET A 90 8.184 -7.099 -37.719 1.00 0.00 C ATOM 0 H MET A 90 3.394 -3.833 -39.298 1.00 0.00 H new ATOM 0 HA MET A 90 4.374 -6.585 -39.619 1.00 0.00 H new ATOM 0 HB2 MET A 90 5.405 -4.385 -37.788 1.00 0.00 H new ATOM 0 HB3 MET A 90 5.701 -6.076 -37.437 1.00 0.00 H new ATOM 0 HG2 MET A 90 6.523 -6.227 -39.920 1.00 0.00 H new ATOM 0 HG3 MET A 90 6.588 -4.477 -39.858 1.00 0.00 H new ATOM 0 HE1 MET A 90 9.137 -7.345 -37.252 1.00 0.00 H new ATOM 0 HE2 MET A 90 7.401 -7.086 -36.961 1.00 0.00 H new ATOM 0 HE3 MET A 90 7.946 -7.848 -38.474 1.00 0.00 H new ATOM 1367 N ASN A 91 2.047 -5.533 -37.759 1.00 0.00 N ATOM 1368 CA ASN A 91 0.972 -6.048 -36.929 1.00 0.00 C ATOM 1369 C ASN A 91 0.442 -7.326 -37.580 1.00 0.00 C ATOM 1370 O ASN A 91 0.086 -7.324 -38.758 1.00 0.00 O ATOM 1371 CB ASN A 91 -0.125 -4.989 -36.797 1.00 0.00 C ATOM 1372 CG ASN A 91 -1.181 -5.375 -35.766 1.00 0.00 C ATOM 1373 OD1 ASN A 91 -0.997 -6.299 -34.982 1.00 0.00 O ATOM 1374 ND2 ASN A 91 -2.297 -4.656 -35.769 1.00 0.00 N ATOM 0 H ASN A 91 1.878 -4.610 -38.159 1.00 0.00 H new ATOM 0 HA ASN A 91 1.328 -6.280 -35.925 1.00 0.00 H new ATOM 0 HB2 ASN A 91 0.324 -4.037 -36.515 1.00 0.00 H new ATOM 0 HB3 ASN A 91 -0.603 -4.841 -37.765 1.00 0.00 H new ATOM 0 HD21 ASN A 91 -3.040 -4.865 -35.102 1.00 0.00 H new ATOM 0 HD22 ASN A 91 -2.411 -3.895 -36.438 1.00 0.00 H new ATOM 1381 N GLY A 92 0.389 -8.416 -36.815 1.00 0.00 N ATOM 1382 CA GLY A 92 -0.062 -9.704 -37.322 1.00 0.00 C ATOM 1383 C GLY A 92 1.054 -10.493 -38.013 1.00 0.00 C ATOM 1384 O GLY A 92 0.786 -11.558 -38.571 1.00 0.00 O ATOM 0 H GLY A 92 0.657 -8.428 -35.831 1.00 0.00 H new ATOM 0 HA2 GLY A 92 -0.461 -10.294 -36.497 1.00 0.00 H new ATOM 0 HA3 GLY A 92 -0.879 -9.546 -38.026 1.00 0.00 H new ATOM 1388 N PHE A 93 2.300 -10.002 -37.992 1.00 0.00 N ATOM 1389 CA PHE A 93 3.417 -10.710 -38.608 1.00 0.00 C ATOM 1390 C PHE A 93 3.684 -12.014 -37.863 1.00 0.00 C ATOM 1391 O PHE A 93 4.033 -11.985 -36.685 1.00 0.00 O ATOM 1392 CB PHE A 93 4.652 -9.808 -38.614 1.00 0.00 C ATOM 1393 CG PHE A 93 5.896 -10.457 -39.184 1.00 0.00 C ATOM 1394 CD1 PHE A 93 6.704 -11.273 -38.380 1.00 0.00 C ATOM 1395 CD2 PHE A 93 6.240 -10.235 -40.523 1.00 0.00 C ATOM 1396 CE1 PHE A 93 7.856 -11.867 -38.920 1.00 0.00 C ATOM 1397 CE2 PHE A 93 7.392 -10.829 -41.064 1.00 0.00 C ATOM 1398 CZ PHE A 93 8.200 -11.644 -40.259 1.00 0.00 C ATOM 0 H PHE A 93 2.554 -9.117 -37.554 1.00 0.00 H new ATOM 0 HA PHE A 93 3.170 -10.961 -39.640 1.00 0.00 H new ATOM 0 HB2 PHE A 93 4.429 -8.910 -39.190 1.00 0.00 H new ATOM 0 HB3 PHE A 93 4.859 -9.488 -37.593 1.00 0.00 H new ATOM 0 HD1 PHE A 93 6.441 -11.445 -37.347 1.00 0.00 H new ATOM 0 HD2 PHE A 93 5.618 -9.605 -41.142 1.00 0.00 H new ATOM 0 HE1 PHE A 93 8.478 -12.497 -38.301 1.00 0.00 H new ATOM 0 HE2 PHE A 93 7.655 -10.658 -42.098 1.00 0.00 H new ATOM 0 HZ PHE A 93 9.088 -12.100 -40.672 1.00 0.00 H new ATOM 1408 N GLN A 94 3.525 -13.166 -38.518 1.00 0.00 N ATOM 1409 CA GLN A 94 3.714 -14.440 -37.840 1.00 0.00 C ATOM 1410 C GLN A 94 5.190 -14.737 -37.605 1.00 0.00 C ATOM 1411 O GLN A 94 6.006 -14.630 -38.520 1.00 0.00 O ATOM 1412 CB GLN A 94 3.045 -15.569 -38.624 1.00 0.00 C ATOM 1413 CG GLN A 94 3.253 -16.894 -37.882 1.00 0.00 C ATOM 1414 CD GLN A 94 2.430 -18.035 -38.465 1.00 0.00 C ATOM 1415 OE1 GLN A 94 1.717 -17.870 -39.453 1.00 0.00 O ATOM 1416 NE2 GLN A 94 2.528 -19.208 -37.850 1.00 0.00 N ATOM 0 H GLN A 94 3.270 -13.239 -39.503 1.00 0.00 H new ATOM 0 HA GLN A 94 3.238 -14.371 -36.862 1.00 0.00 H new ATOM 0 HB2 GLN A 94 1.980 -15.366 -38.738 1.00 0.00 H new ATOM 0 HB3 GLN A 94 3.467 -15.631 -39.627 1.00 0.00 H new ATOM 0 HG2 GLN A 94 4.309 -17.161 -37.915 1.00 0.00 H new ATOM 0 HG3 GLN A 94 2.990 -16.762 -36.832 1.00 0.00 H new ATOM 0 HE21 GLN A 94 3.130 -19.307 -37.033 1.00 0.00 H new ATOM 0 HE22 GLN A 94 2.001 -20.010 -38.195 1.00 0.00 H new ATOM 1425 N ILE A 95 5.526 -15.114 -36.370 1.00 0.00 N ATOM 1426 CA ILE A 95 6.872 -15.521 -36.009 1.00 0.00 C ATOM 1427 C ILE A 95 6.768 -16.629 -34.967 1.00 0.00 C ATOM 1428 O ILE A 95 6.186 -16.447 -33.899 1.00 0.00 O ATOM 1429 CB ILE A 95 7.656 -14.296 -35.527 1.00 0.00 C ATOM 1430 CG1 ILE A 95 9.137 -14.644 -35.364 1.00 0.00 C ATOM 1431 CG2 ILE A 95 7.096 -13.723 -34.218 1.00 0.00 C ATOM 1432 CD1 ILE A 95 9.980 -13.372 -35.277 1.00 0.00 C ATOM 0 H ILE A 95 4.865 -15.143 -35.594 1.00 0.00 H new ATOM 0 HA ILE A 95 7.422 -15.922 -36.861 1.00 0.00 H new ATOM 0 HB ILE A 95 7.548 -13.524 -36.289 1.00 0.00 H new ATOM 0 HG12 ILE A 95 9.279 -15.243 -34.465 1.00 0.00 H new ATOM 0 HG13 ILE A 95 9.469 -15.250 -36.207 1.00 0.00 H new ATOM 0 HG21 ILE A 95 7.686 -12.857 -33.918 1.00 0.00 H new ATOM 0 HG22 ILE A 95 6.059 -13.422 -34.367 1.00 0.00 H new ATOM 0 HG23 ILE A 95 7.145 -14.483 -33.438 1.00 0.00 H new ATOM 0 HD11 ILE A 95 11.030 -13.639 -35.161 1.00 0.00 H new ATOM 0 HD12 ILE A 95 9.852 -12.788 -36.188 1.00 0.00 H new ATOM 0 HD13 ILE A 95 9.659 -12.781 -34.419 1.00 0.00 H new ATOM 1444 N GLY A 96 7.332 -17.800 -35.256 1.00 0.00 N ATOM 1445 CA GLY A 96 7.165 -18.930 -34.356 1.00 0.00 C ATOM 1446 C GLY A 96 5.685 -19.291 -34.221 1.00 0.00 C ATOM 1447 O GLY A 96 4.949 -19.311 -35.206 1.00 0.00 O ATOM 0 H GLY A 96 7.895 -17.986 -36.086 1.00 0.00 H new ATOM 0 HA2 GLY A 96 7.722 -19.788 -34.732 1.00 0.00 H new ATOM 0 HA3 GLY A 96 7.577 -18.687 -33.377 1.00 0.00 H new ATOM 1451 N MET A 97 5.251 -19.578 -32.991 1.00 0.00 N ATOM 1452 CA MET A 97 3.892 -20.021 -32.702 1.00 0.00 C ATOM 1453 C MET A 97 2.898 -18.874 -32.480 1.00 0.00 C ATOM 1454 O MET A 97 1.745 -19.136 -32.143 1.00 0.00 O ATOM 1455 CB MET A 97 3.909 -20.955 -31.486 1.00 0.00 C ATOM 1456 CG MET A 97 4.730 -22.222 -31.753 1.00 0.00 C ATOM 1457 SD MET A 97 6.533 -22.018 -31.748 1.00 0.00 S ATOM 1458 CE MET A 97 6.788 -21.612 -29.999 1.00 0.00 C ATOM 0 H MET A 97 5.842 -19.507 -32.162 1.00 0.00 H new ATOM 0 HA MET A 97 3.539 -20.550 -33.587 1.00 0.00 H new ATOM 0 HB2 MET A 97 4.324 -20.427 -30.628 1.00 0.00 H new ATOM 0 HB3 MET A 97 2.887 -21.232 -31.226 1.00 0.00 H new ATOM 0 HG2 MET A 97 4.467 -22.967 -31.002 1.00 0.00 H new ATOM 0 HG3 MET A 97 4.433 -22.626 -32.721 1.00 0.00 H new ATOM 0 HE1 MET A 97 7.835 -21.765 -29.739 1.00 0.00 H new ATOM 0 HE2 MET A 97 6.519 -20.570 -29.824 1.00 0.00 H new ATOM 0 HE3 MET A 97 6.163 -22.257 -29.381 1.00 0.00 H new ATOM 1468 N LYS A 98 3.303 -17.607 -32.658 1.00 0.00 N ATOM 1469 CA LYS A 98 2.404 -16.475 -32.426 1.00 0.00 C ATOM 1470 C LYS A 98 2.714 -15.315 -33.373 1.00 0.00 C ATOM 1471 O LYS A 98 3.795 -15.249 -33.954 1.00 0.00 O ATOM 1472 CB LYS A 98 2.484 -16.070 -30.945 1.00 0.00 C ATOM 1473 CG LYS A 98 1.366 -15.087 -30.575 1.00 0.00 C ATOM 1474 CD LYS A 98 1.054 -15.116 -29.073 1.00 0.00 C ATOM 1475 CE LYS A 98 2.191 -14.564 -28.215 1.00 0.00 C ATOM 1476 NZ LYS A 98 1.928 -14.796 -26.783 1.00 0.00 N ATOM 0 H LYS A 98 4.242 -17.346 -32.960 1.00 0.00 H new ATOM 0 HA LYS A 98 1.378 -16.769 -32.645 1.00 0.00 H new ATOM 0 HB2 LYS A 98 2.412 -16.959 -30.318 1.00 0.00 H new ATOM 0 HB3 LYS A 98 3.453 -15.615 -30.742 1.00 0.00 H new ATOM 0 HG2 LYS A 98 1.659 -14.078 -30.866 1.00 0.00 H new ATOM 0 HG3 LYS A 98 0.465 -15.333 -31.138 1.00 0.00 H new ATOM 0 HD2 LYS A 98 0.150 -14.537 -28.884 1.00 0.00 H new ATOM 0 HD3 LYS A 98 0.844 -16.142 -28.771 1.00 0.00 H new ATOM 0 HE2 LYS A 98 3.130 -15.040 -28.498 1.00 0.00 H new ATOM 0 HE3 LYS A 98 2.306 -13.496 -28.400 1.00 0.00 H new ATOM 0 HZ1 LYS A 98 2.713 -14.413 -26.219 1.00 0.00 H new ATOM 0 HZ2 LYS A 98 1.043 -14.322 -26.511 1.00 0.00 H new ATOM 0 HZ3 LYS A 98 1.842 -15.817 -26.607 1.00 0.00 H new ATOM 1490 N ARG A 99 1.764 -14.392 -33.532 1.00 0.00 N ATOM 1491 CA ARG A 99 1.928 -13.234 -34.401 1.00 0.00 C ATOM 1492 C ARG A 99 2.354 -12.014 -33.596 1.00 0.00 C ATOM 1493 O ARG A 99 1.921 -11.845 -32.457 1.00 0.00 O ATOM 1494 CB ARG A 99 0.626 -12.956 -35.156 1.00 0.00 C ATOM 1495 CG ARG A 99 0.274 -14.122 -36.079 1.00 0.00 C ATOM 1496 CD ARG A 99 -1.025 -13.830 -36.825 1.00 0.00 C ATOM 1497 NE ARG A 99 -1.361 -14.920 -37.752 1.00 0.00 N ATOM 1498 CZ ARG A 99 -1.050 -14.943 -39.052 1.00 0.00 C ATOM 1499 NH1 ARG A 99 -0.387 -13.938 -39.616 1.00 0.00 N ATOM 1500 NH2 ARG A 99 -1.404 -15.988 -39.797 1.00 0.00 N ATOM 0 H ARG A 99 0.860 -14.430 -33.060 1.00 0.00 H new ATOM 0 HA ARG A 99 2.712 -13.450 -35.126 1.00 0.00 H new ATOM 0 HB2 ARG A 99 -0.184 -12.792 -34.445 1.00 0.00 H new ATOM 0 HB3 ARG A 99 0.727 -12.042 -35.740 1.00 0.00 H new ATOM 0 HG2 ARG A 99 1.082 -14.288 -36.792 1.00 0.00 H new ATOM 0 HG3 ARG A 99 0.170 -15.038 -35.497 1.00 0.00 H new ATOM 0 HD2 ARG A 99 -1.836 -13.694 -36.109 1.00 0.00 H new ATOM 0 HD3 ARG A 99 -0.928 -12.896 -37.378 1.00 0.00 H new ATOM 0 HE ARG A 99 -1.870 -15.719 -37.375 1.00 0.00 H new ATOM 0 HH11 ARG A 99 -0.107 -13.133 -39.055 1.00 0.00 H new ATOM 0 HH12 ARG A 99 -0.158 -13.972 -40.609 1.00 0.00 H new ATOM 0 HH21 ARG A 99 -1.910 -16.767 -39.376 1.00 0.00 H new ATOM 0 HH22 ARG A 99 -1.169 -16.010 -40.789 1.00 0.00 H new ATOM 1514 N LEU A 100 3.200 -11.164 -34.183 1.00 0.00 N ATOM 1515 CA LEU A 100 3.636 -9.934 -33.543 1.00 0.00 C ATOM 1516 C LEU A 100 2.476 -8.954 -33.404 1.00 0.00 C ATOM 1517 O LEU A 100 1.801 -8.642 -34.388 1.00 0.00 O ATOM 1518 CB LEU A 100 4.754 -9.282 -34.358 1.00 0.00 C ATOM 1519 CG LEU A 100 6.023 -10.131 -34.411 1.00 0.00 C ATOM 1520 CD1 LEU A 100 7.068 -9.404 -35.247 1.00 0.00 C ATOM 1521 CD2 LEU A 100 6.573 -10.365 -33.009 1.00 0.00 C ATOM 0 H LEU A 100 3.597 -11.313 -35.111 1.00 0.00 H new ATOM 0 HA LEU A 100 4.007 -10.185 -32.549 1.00 0.00 H new ATOM 0 HB2 LEU A 100 4.400 -9.103 -35.373 1.00 0.00 H new ATOM 0 HB3 LEU A 100 4.991 -8.309 -33.927 1.00 0.00 H new ATOM 0 HG LEU A 100 5.785 -11.097 -34.857 1.00 0.00 H new ATOM 0 HD11 LEU A 100 7.978 -10.002 -35.291 1.00 0.00 H new ATOM 0 HD12 LEU A 100 6.685 -9.251 -36.256 1.00 0.00 H new ATOM 0 HD13 LEU A 100 7.290 -8.438 -34.793 1.00 0.00 H new ATOM 0 HD21 LEU A 100 7.477 -10.972 -33.069 1.00 0.00 H new ATOM 0 HD22 LEU A 100 6.809 -9.407 -32.546 1.00 0.00 H new ATOM 0 HD23 LEU A 100 5.827 -10.884 -32.407 1.00 0.00 H new ATOM 1533 N LYS A 101 2.247 -8.471 -32.184 1.00 0.00 N ATOM 1534 CA LYS A 101 1.290 -7.407 -31.943 1.00 0.00 C ATOM 1535 C LYS A 101 2.019 -6.075 -32.068 1.00 0.00 C ATOM 1536 O LYS A 101 3.151 -5.951 -31.597 1.00 0.00 O ATOM 1537 CB LYS A 101 0.663 -7.602 -30.563 1.00 0.00 C ATOM 1538 CG LYS A 101 -0.345 -6.503 -30.219 1.00 0.00 C ATOM 1539 CD LYS A 101 -0.673 -6.531 -28.723 1.00 0.00 C ATOM 1540 CE LYS A 101 -1.126 -7.910 -28.238 1.00 0.00 C ATOM 1541 NZ LYS A 101 -2.439 -8.283 -28.800 1.00 0.00 N ATOM 0 H LYS A 101 2.719 -8.807 -31.344 1.00 0.00 H new ATOM 0 HA LYS A 101 0.480 -7.422 -32.672 1.00 0.00 H new ATOM 0 HB2 LYS A 101 0.166 -8.571 -30.527 1.00 0.00 H new ATOM 0 HB3 LYS A 101 1.450 -7.619 -29.809 1.00 0.00 H new ATOM 0 HG2 LYS A 101 0.062 -5.529 -30.491 1.00 0.00 H new ATOM 0 HG3 LYS A 101 -1.256 -6.641 -30.801 1.00 0.00 H new ATOM 0 HD2 LYS A 101 0.207 -6.224 -28.158 1.00 0.00 H new ATOM 0 HD3 LYS A 101 -1.457 -5.803 -28.514 1.00 0.00 H new ATOM 0 HE2 LYS A 101 -0.384 -8.657 -28.520 1.00 0.00 H new ATOM 0 HE3 LYS A 101 -1.182 -7.912 -27.149 1.00 0.00 H new ATOM 0 HZ1 LYS A 101 -2.713 -9.223 -28.449 1.00 0.00 H new ATOM 0 HZ2 LYS A 101 -3.152 -7.584 -28.510 1.00 0.00 H new ATOM 0 HZ3 LYS A 101 -2.379 -8.305 -29.838 1.00 0.00 H new ATOM 1555 N VAL A 102 1.384 -5.080 -32.694 1.00 0.00 N ATOM 1556 CA VAL A 102 1.950 -3.742 -32.827 1.00 0.00 C ATOM 1557 C VAL A 102 0.883 -2.715 -32.464 1.00 0.00 C ATOM 1558 O VAL A 102 -0.277 -2.872 -32.848 1.00 0.00 O ATOM 1559 CB VAL A 102 2.503 -3.532 -34.241 1.00 0.00 C ATOM 1560 CG1 VAL A 102 3.124 -2.145 -34.413 1.00 0.00 C ATOM 1561 CG2 VAL A 102 3.568 -4.579 -34.576 1.00 0.00 C ATOM 0 H VAL A 102 0.464 -5.183 -33.121 1.00 0.00 H new ATOM 0 HA VAL A 102 2.789 -3.619 -32.142 1.00 0.00 H new ATOM 0 HB VAL A 102 1.654 -3.630 -34.918 1.00 0.00 H new ATOM 0 HG11 VAL A 102 3.503 -2.040 -35.430 1.00 0.00 H new ATOM 0 HG12 VAL A 102 2.368 -1.382 -34.227 1.00 0.00 H new ATOM 0 HG13 VAL A 102 3.944 -2.023 -33.706 1.00 0.00 H new ATOM 0 HG21 VAL A 102 3.943 -4.407 -35.585 1.00 0.00 H new ATOM 0 HG22 VAL A 102 4.390 -4.502 -33.865 1.00 0.00 H new ATOM 0 HG23 VAL A 102 3.130 -5.575 -34.517 1.00 0.00 H new ATOM 1571 N GLN A 103 1.264 -1.665 -31.727 1.00 0.00 N ATOM 1572 CA GLN A 103 0.302 -0.686 -31.235 1.00 0.00 C ATOM 1573 C GLN A 103 0.942 0.694 -31.080 1.00 0.00 C ATOM 1574 O GLN A 103 2.164 0.811 -31.043 1.00 0.00 O ATOM 1575 CB GLN A 103 -0.242 -1.208 -29.905 1.00 0.00 C ATOM 1576 CG GLN A 103 -1.407 -0.372 -29.366 1.00 0.00 C ATOM 1577 CD GLN A 103 -2.036 -1.033 -28.145 1.00 0.00 C ATOM 1578 OE1 GLN A 103 -1.236 -1.749 -27.360 1.00 0.00 O flip ATOM 1579 NE2 GLN A 103 -3.235 -0.898 -27.910 1.00 0.00 N flip ATOM 0 H GLN A 103 2.231 -1.476 -31.461 1.00 0.00 H new ATOM 0 HA GLN A 103 -0.512 -0.562 -31.949 1.00 0.00 H new ATOM 0 HB2 GLN A 103 -0.571 -2.239 -30.033 1.00 0.00 H new ATOM 0 HB3 GLN A 103 0.562 -1.218 -29.169 1.00 0.00 H new ATOM 0 HG2 GLN A 103 -1.053 0.624 -29.102 1.00 0.00 H new ATOM 0 HG3 GLN A 103 -2.160 -0.247 -30.144 1.00 0.00 H new ATOM 0 HE21 GLN A 103 -3.818 -0.341 -28.535 1.00 0.00 H new ATOM 0 HE22 GLN A 103 -3.647 -1.343 -27.090 1.00 0.00 H new ATOM 1588 N LEU A 104 0.126 1.750 -30.990 1.00 0.00 N ATOM 1589 CA LEU A 104 0.612 3.104 -30.744 1.00 0.00 C ATOM 1590 C LEU A 104 0.859 3.317 -29.247 1.00 0.00 C ATOM 1591 O LEU A 104 0.162 2.744 -28.410 1.00 0.00 O ATOM 1592 CB LEU A 104 -0.421 4.098 -31.295 1.00 0.00 C ATOM 1593 CG LEU A 104 0.198 5.317 -31.989 1.00 0.00 C ATOM 1594 CD1 LEU A 104 -0.922 6.085 -32.686 1.00 0.00 C ATOM 1595 CD2 LEU A 104 0.883 6.272 -31.018 1.00 0.00 C ATOM 0 H LEU A 104 -0.887 1.686 -31.086 1.00 0.00 H new ATOM 0 HA LEU A 104 1.564 3.263 -31.251 1.00 0.00 H new ATOM 0 HB2 LEU A 104 -1.068 3.579 -32.002 1.00 0.00 H new ATOM 0 HB3 LEU A 104 -1.054 4.441 -30.476 1.00 0.00 H new ATOM 0 HG LEU A 104 0.953 4.950 -32.684 1.00 0.00 H new ATOM 0 HD11 LEU A 104 -0.506 6.959 -33.188 1.00 0.00 H new ATOM 0 HD12 LEU A 104 -1.404 5.439 -33.420 1.00 0.00 H new ATOM 0 HD13 LEU A 104 -1.657 6.406 -31.948 1.00 0.00 H new ATOM 0 HD21 LEU A 104 1.301 7.114 -31.570 1.00 0.00 H new ATOM 0 HD22 LEU A 104 0.155 6.638 -30.294 1.00 0.00 H new ATOM 0 HD23 LEU A 104 1.683 5.748 -30.495 1.00 0.00 H new ATOM 1607 N LYS A 105 1.850 4.146 -28.906 1.00 0.00 N ATOM 1608 CA LYS A 105 2.158 4.534 -27.530 1.00 0.00 C ATOM 1609 C LYS A 105 0.962 5.239 -26.884 1.00 0.00 C ATOM 1610 O LYS A 105 0.235 5.965 -27.562 1.00 0.00 O ATOM 1611 CB LYS A 105 3.387 5.444 -27.567 1.00 0.00 C ATOM 1612 CG LYS A 105 3.759 6.027 -26.205 1.00 0.00 C ATOM 1613 CD LYS A 105 4.995 6.916 -26.364 1.00 0.00 C ATOM 1614 CE LYS A 105 5.344 7.570 -25.030 1.00 0.00 C ATOM 1615 NZ LYS A 105 6.497 8.480 -25.162 1.00 0.00 N ATOM 0 H LYS A 105 2.471 4.573 -29.593 1.00 0.00 H new ATOM 0 HA LYS A 105 2.368 3.653 -26.924 1.00 0.00 H new ATOM 0 HB2 LYS A 105 4.235 4.879 -27.955 1.00 0.00 H new ATOM 0 HB3 LYS A 105 3.202 6.261 -28.264 1.00 0.00 H new ATOM 0 HG2 LYS A 105 2.928 6.607 -25.804 1.00 0.00 H new ATOM 0 HG3 LYS A 105 3.961 5.225 -25.495 1.00 0.00 H new ATOM 0 HD2 LYS A 105 5.837 6.322 -26.718 1.00 0.00 H new ATOM 0 HD3 LYS A 105 4.807 7.683 -27.116 1.00 0.00 H new ATOM 0 HE2 LYS A 105 4.482 8.124 -24.658 1.00 0.00 H new ATOM 0 HE3 LYS A 105 5.569 6.799 -24.293 1.00 0.00 H new ATOM 0 HZ1 LYS A 105 6.709 8.908 -24.238 1.00 0.00 H new ATOM 0 HZ2 LYS A 105 7.325 7.945 -25.494 1.00 0.00 H new ATOM 0 HZ3 LYS A 105 6.271 9.229 -25.847 1.00 0.00 H new