USER MOD reduce.3.24.130724 H: found=0, std=0, add=640, rem=0, adj=20 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 -129:sc= 0.397 USER MOD Set 1.2: A 103 GLN :FLIP amide:sc= 0 F(o=-0.16,f=0.4) USER MOD Set 2.1: A 79 ASN :FLIP amide:sc= 0.53 F(o=0.49,f=1.1) USER MOD Set 2.2: A 82 SER OG : rot 101:sc= 0.609 USER MOD Single : A 30 ASN : amide:sc= 0.379 K(o=0.38,f=-5!) USER MOD Single : A 35 HIS : no HE2:sc= -1.31 K(o=-1.3,f=-7.3!) USER MOD Single : A 38 GLN : amide:sc= 0.567 K(o=0.57,f=0) USER MOD Single : A 43 GLN : amide:sc= 0 X(o=0,f=-0.44) USER MOD Single : A 47 GLN : amide:sc= -0.116 K(o=-0.12,f=-1.5) USER MOD Single : A 48 MET CE :methyl 172:sc= 0 (180deg=-0.0548) USER MOD Single : A 50 MET CE :methyl -178:sc= -0.133 (180deg=-0.139) USER MOD Single : A 54 ASN : amide:sc= -0.0652 K(o=-0.065,f=-0.75) USER MOD Single : A 57 SER OG : rot 180:sc= 0 USER MOD Single : A 59 LYS NZ :NH3+ 176:sc= 1.22 (180deg=1.21) USER MOD Single : A 64 LYS NZ :NH3+ -174:sc= 0 (180deg=-0.0468) USER MOD Single : A 65 GLN :FLIP amide:sc= -0.0735 F(o=-0.91,f=-0.074) USER MOD Single : A 66 THR OG1 : rot 180:sc= 0.134 USER MOD Single : A 67 ASN : amide:sc= 0 K(o=0,f=-1.2) USER MOD Single : A 69 SER OG : rot -170:sc= 0.143 USER MOD Single : A 70 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 71 CYS SG : rot 180:sc= 0.101 USER MOD Single : A 76 SER OG : rot 180:sc= 0 USER MOD Single : A 77 TYR OH : rot -153:sc= 0.526 USER MOD Single : A 84 GLN : amide:sc= -0.459 X(o=-0.46,f=-0.71) USER MOD Single : A 88 GLN : amide:sc= 0 K(o=0,f=-0.98!) USER MOD Single : A 90 MET CE :methyl 155:sc= -0.232 (180deg=-1.02) USER MOD Single : A 91 ASN : amide:sc=-0.00891 K(o=-0.0089,f=-1.3) USER MOD Single : A 94 GLN : amide:sc= 0 K(o=0,f=-0.92) USER MOD Single : A 97 MET CE :methyl -165:sc= -0.0174 (180deg=-0.286) USER MOD Single : A 98 LYS NZ :NH3+ 165:sc= -0.0231 (180deg=-0.23) USER MOD Single : A 101 LYS NZ :NH3+ -176:sc= 0 (180deg=-0.0345) USER MOD Single : A 105 LYS NZ :NH3+ 180:sc=-3.3e-05 (180deg=-3.3e-05) USER MOD ----------------------------------------------------------------- ATOM 344 N GLU A 24 12.647 10.059 -28.939 1.00 0.00 N ATOM 345 CA GLU A 24 11.230 10.009 -29.264 1.00 0.00 C ATOM 346 C GLU A 24 10.894 10.957 -30.413 1.00 0.00 C ATOM 347 O GLU A 24 11.561 11.973 -30.605 1.00 0.00 O ATOM 348 CB GLU A 24 10.402 10.374 -28.034 1.00 0.00 C ATOM 349 CG GLU A 24 10.726 9.462 -26.851 1.00 0.00 C ATOM 350 CD GLU A 24 9.765 9.673 -25.681 1.00 0.00 C ATOM 351 OE1 GLU A 24 8.897 10.570 -25.782 1.00 0.00 O ATOM 352 OE2 GLU A 24 9.903 8.934 -24.683 1.00 0.00 O ATOM 0 HA GLU A 24 10.989 8.993 -29.578 1.00 0.00 H new ATOM 0 HB2 GLU A 24 10.595 11.411 -27.759 1.00 0.00 H new ATOM 0 HB3 GLU A 24 9.341 10.299 -28.273 1.00 0.00 H new ATOM 0 HG2 GLU A 24 10.681 8.422 -27.173 1.00 0.00 H new ATOM 0 HG3 GLU A 24 11.747 9.649 -26.519 1.00 0.00 H new ATOM 359 N GLY A 25 9.854 10.612 -31.172 1.00 0.00 N ATOM 360 CA GLY A 25 9.368 11.427 -32.270 1.00 0.00 C ATOM 361 C GLY A 25 8.195 12.302 -31.830 1.00 0.00 C ATOM 362 O GLY A 25 7.862 12.359 -30.647 1.00 0.00 O ATOM 0 H GLY A 25 9.325 9.751 -31.036 1.00 0.00 H new ATOM 0 HA2 GLY A 25 10.175 12.057 -32.644 1.00 0.00 H new ATOM 0 HA3 GLY A 25 9.057 10.784 -33.094 1.00 0.00 H new ATOM 366 N PRO A 26 7.557 12.992 -32.786 1.00 0.00 N ATOM 367 CA PRO A 26 6.378 13.809 -32.543 1.00 0.00 C ATOM 368 C PRO A 26 5.185 12.928 -32.173 1.00 0.00 C ATOM 369 O PRO A 26 5.274 11.701 -32.206 1.00 0.00 O ATOM 370 CB PRO A 26 6.141 14.563 -33.853 1.00 0.00 C ATOM 371 CG PRO A 26 6.728 13.625 -34.904 1.00 0.00 C ATOM 372 CD PRO A 26 7.929 13.022 -34.185 1.00 0.00 C ATOM 0 HA PRO A 26 6.511 14.498 -31.709 1.00 0.00 H new ATOM 0 HB2 PRO A 26 5.081 14.748 -34.025 1.00 0.00 H new ATOM 0 HB3 PRO A 26 6.638 15.533 -33.855 1.00 0.00 H new ATOM 0 HG2 PRO A 26 6.013 12.861 -35.208 1.00 0.00 H new ATOM 0 HG3 PRO A 26 7.024 14.162 -35.805 1.00 0.00 H new ATOM 0 HD2 PRO A 26 8.148 12.021 -34.556 1.00 0.00 H new ATOM 0 HD3 PRO A 26 8.825 13.623 -34.342 1.00 0.00 H new ATOM 380 N GLU A 27 4.059 13.548 -31.818 1.00 0.00 N ATOM 381 CA GLU A 27 2.864 12.803 -31.448 1.00 0.00 C ATOM 382 C GLU A 27 2.391 11.943 -32.616 1.00 0.00 C ATOM 383 O GLU A 27 2.338 12.408 -33.757 1.00 0.00 O ATOM 384 CB GLU A 27 1.780 13.789 -30.992 1.00 0.00 C ATOM 385 CG GLU A 27 0.447 13.106 -30.679 1.00 0.00 C ATOM 386 CD GLU A 27 0.503 12.189 -29.455 1.00 0.00 C ATOM 387 OE1 GLU A 27 -0.547 11.579 -29.160 1.00 0.00 O ATOM 388 OE2 GLU A 27 1.581 12.099 -28.827 1.00 0.00 O ATOM 0 H GLU A 27 3.953 14.562 -31.780 1.00 0.00 H new ATOM 0 HA GLU A 27 3.088 12.128 -30.622 1.00 0.00 H new ATOM 0 HB2 GLU A 27 2.128 14.319 -30.105 1.00 0.00 H new ATOM 0 HB3 GLU A 27 1.626 14.537 -31.770 1.00 0.00 H new ATOM 0 HG2 GLU A 27 -0.314 13.869 -30.517 1.00 0.00 H new ATOM 0 HG3 GLU A 27 0.134 12.523 -31.545 1.00 0.00 H new ATOM 395 N GLY A 28 2.044 10.686 -32.331 1.00 0.00 N ATOM 396 CA GLY A 28 1.539 9.755 -33.327 1.00 0.00 C ATOM 397 C GLY A 28 2.659 9.065 -34.106 1.00 0.00 C ATOM 398 O GLY A 28 2.377 8.245 -34.978 1.00 0.00 O ATOM 0 H GLY A 28 2.108 10.288 -31.394 1.00 0.00 H new ATOM 0 HA2 GLY A 28 0.925 9.001 -32.836 1.00 0.00 H new ATOM 0 HA3 GLY A 28 0.892 10.289 -34.023 1.00 0.00 H new ATOM 402 N ALA A 29 3.923 9.392 -33.807 1.00 0.00 N ATOM 403 CA ALA A 29 5.071 8.833 -34.517 1.00 0.00 C ATOM 404 C ALA A 29 5.814 7.769 -33.700 1.00 0.00 C ATOM 405 O ALA A 29 6.808 7.221 -34.171 1.00 0.00 O ATOM 406 CB ALA A 29 6.005 9.974 -34.905 1.00 0.00 C ATOM 0 H ALA A 29 4.174 10.049 -33.068 1.00 0.00 H new ATOM 0 HA ALA A 29 4.708 8.323 -35.409 1.00 0.00 H new ATOM 0 HB1 ALA A 29 6.868 9.573 -35.436 1.00 0.00 H new ATOM 0 HB2 ALA A 29 5.475 10.675 -35.550 1.00 0.00 H new ATOM 0 HB3 ALA A 29 6.341 10.491 -34.006 1.00 0.00 H new ATOM 412 N ASN A 30 5.353 7.472 -32.485 1.00 0.00 N ATOM 413 CA ASN A 30 6.003 6.498 -31.619 1.00 0.00 C ATOM 414 C ASN A 30 5.264 5.162 -31.696 1.00 0.00 C ATOM 415 O ASN A 30 4.046 5.143 -31.855 1.00 0.00 O ATOM 416 CB ASN A 30 6.062 7.048 -30.195 1.00 0.00 C ATOM 417 CG ASN A 30 6.887 8.329 -30.140 1.00 0.00 C ATOM 418 OD1 ASN A 30 8.105 8.293 -30.283 1.00 0.00 O ATOM 419 ND2 ASN A 30 6.235 9.466 -29.931 1.00 0.00 N ATOM 0 H ASN A 30 4.521 7.900 -32.078 1.00 0.00 H new ATOM 0 HA ASN A 30 7.027 6.320 -31.949 1.00 0.00 H new ATOM 0 HB2 ASN A 30 5.052 7.245 -29.835 1.00 0.00 H new ATOM 0 HB3 ASN A 30 6.497 6.302 -29.530 1.00 0.00 H new ATOM 0 HD21 ASN A 30 6.747 10.347 -29.885 1.00 0.00 H new ATOM 0 HD22 ASN A 30 5.221 9.459 -29.816 1.00 0.00 H new ATOM 426 N LEU A 31 5.996 4.051 -31.586 1.00 0.00 N ATOM 427 CA LEU A 31 5.446 2.724 -31.816 1.00 0.00 C ATOM 428 C LEU A 31 5.889 1.709 -30.765 1.00 0.00 C ATOM 429 O LEU A 31 6.920 1.855 -30.113 1.00 0.00 O ATOM 430 CB LEU A 31 5.890 2.247 -33.203 1.00 0.00 C ATOM 431 CG LEU A 31 4.714 2.007 -34.149 1.00 0.00 C ATOM 432 CD1 LEU A 31 3.894 3.279 -34.331 1.00 0.00 C ATOM 433 CD2 LEU A 31 5.273 1.582 -35.501 1.00 0.00 C ATOM 0 H LEU A 31 6.985 4.052 -31.335 1.00 0.00 H new ATOM 0 HA LEU A 31 4.360 2.796 -31.750 1.00 0.00 H new ATOM 0 HB2 LEU A 31 6.558 2.989 -33.641 1.00 0.00 H new ATOM 0 HB3 LEU A 31 6.462 1.325 -33.100 1.00 0.00 H new ATOM 0 HG LEU A 31 4.067 1.237 -33.730 1.00 0.00 H new ATOM 0 HD11 LEU A 31 3.063 3.082 -35.008 1.00 0.00 H new ATOM 0 HD12 LEU A 31 3.506 3.603 -33.365 1.00 0.00 H new ATOM 0 HD13 LEU A 31 4.526 4.062 -34.750 1.00 0.00 H new ATOM 0 HD21 LEU A 31 4.451 1.404 -36.195 1.00 0.00 H new ATOM 0 HD22 LEU A 31 5.915 2.370 -35.893 1.00 0.00 H new ATOM 0 HD23 LEU A 31 5.853 0.667 -35.383 1.00 0.00 H new ATOM 445 N PHE A 32 5.068 0.669 -30.634 1.00 0.00 N ATOM 446 CA PHE A 32 5.291 -0.483 -29.783 1.00 0.00 C ATOM 447 C PHE A 32 5.229 -1.816 -30.502 1.00 0.00 C ATOM 448 O PHE A 32 4.475 -1.956 -31.459 1.00 0.00 O ATOM 449 CB PHE A 32 4.389 -0.470 -28.553 1.00 0.00 C ATOM 450 CG PHE A 32 4.913 0.340 -27.400 1.00 0.00 C ATOM 451 CD1 PHE A 32 4.984 1.732 -27.485 1.00 0.00 C ATOM 452 CD2 PHE A 32 5.330 -0.316 -26.233 1.00 0.00 C ATOM 453 CE1 PHE A 32 5.496 2.468 -26.409 1.00 0.00 C ATOM 454 CE2 PHE A 32 5.819 0.418 -25.149 1.00 0.00 C ATOM 455 CZ PHE A 32 5.906 1.814 -25.237 1.00 0.00 C ATOM 0 H PHE A 32 4.188 0.610 -31.146 1.00 0.00 H new ATOM 0 HA PHE A 32 6.323 -0.383 -29.448 1.00 0.00 H new ATOM 0 HB2 PHE A 32 3.412 -0.080 -28.839 1.00 0.00 H new ATOM 0 HB3 PHE A 32 4.237 -1.497 -28.219 1.00 0.00 H new ATOM 0 HD1 PHE A 32 4.646 2.239 -28.377 1.00 0.00 H new ATOM 0 HD2 PHE A 32 5.273 -1.393 -26.172 1.00 0.00 H new ATOM 0 HE1 PHE A 32 5.576 3.543 -26.481 1.00 0.00 H new ATOM 0 HE2 PHE A 32 6.129 -0.089 -24.247 1.00 0.00 H new ATOM 0 HZ PHE A 32 6.288 2.386 -24.404 1.00 0.00 H new ATOM 465 N ILE A 33 6.017 -2.788 -30.043 1.00 0.00 N ATOM 466 CA ILE A 33 6.064 -4.111 -30.634 1.00 0.00 C ATOM 467 C ILE A 33 6.099 -5.129 -29.502 1.00 0.00 C ATOM 468 O ILE A 33 6.881 -4.968 -28.567 1.00 0.00 O ATOM 469 CB ILE A 33 7.296 -4.242 -31.545 1.00 0.00 C ATOM 470 CG1 ILE A 33 7.433 -3.109 -32.576 1.00 0.00 C ATOM 471 CG2 ILE A 33 7.216 -5.577 -32.288 1.00 0.00 C ATOM 472 CD1 ILE A 33 8.155 -1.874 -32.031 1.00 0.00 C ATOM 0 H ILE A 33 6.642 -2.672 -29.245 1.00 0.00 H new ATOM 0 HA ILE A 33 5.185 -4.287 -31.254 1.00 0.00 H new ATOM 0 HB ILE A 33 8.172 -4.184 -30.899 1.00 0.00 H new ATOM 0 HG12 ILE A 33 7.974 -3.483 -33.445 1.00 0.00 H new ATOM 0 HG13 ILE A 33 6.440 -2.818 -32.919 1.00 0.00 H new ATOM 0 HG21 ILE A 33 8.084 -5.684 -32.939 1.00 0.00 H new ATOM 0 HG22 ILE A 33 7.200 -6.394 -31.567 1.00 0.00 H new ATOM 0 HG23 ILE A 33 6.307 -5.605 -32.889 1.00 0.00 H new ATOM 0 HD11 ILE A 33 8.216 -1.115 -32.811 1.00 0.00 H new ATOM 0 HD12 ILE A 33 7.603 -1.476 -31.180 1.00 0.00 H new ATOM 0 HD13 ILE A 33 9.161 -2.151 -31.714 1.00 0.00 H new ATOM 484 N TYR A 34 5.267 -6.171 -29.576 1.00 0.00 N ATOM 485 CA TYR A 34 5.179 -7.170 -28.517 1.00 0.00 C ATOM 486 C TYR A 34 5.129 -8.541 -29.189 1.00 0.00 C ATOM 487 O TYR A 34 5.116 -8.654 -30.414 1.00 0.00 O ATOM 488 CB TYR A 34 3.880 -6.958 -27.731 1.00 0.00 C ATOM 489 CG TYR A 34 3.491 -5.521 -27.446 1.00 0.00 C ATOM 490 CD1 TYR A 34 2.637 -4.845 -28.328 1.00 0.00 C ATOM 491 CD2 TYR A 34 3.960 -4.870 -26.296 1.00 0.00 C ATOM 492 CE1 TYR A 34 2.216 -3.541 -28.045 1.00 0.00 C ATOM 493 CE2 TYR A 34 3.558 -3.558 -26.008 1.00 0.00 C ATOM 494 CZ TYR A 34 2.667 -2.897 -26.873 1.00 0.00 C ATOM 495 OH TYR A 34 2.238 -1.634 -26.586 1.00 0.00 O ATOM 0 H TYR A 34 4.643 -6.342 -30.364 1.00 0.00 H new ATOM 0 HA TYR A 34 6.029 -7.093 -27.839 1.00 0.00 H new ATOM 0 HB2 TYR A 34 3.066 -7.429 -28.282 1.00 0.00 H new ATOM 0 HB3 TYR A 34 3.967 -7.483 -26.780 1.00 0.00 H new ATOM 0 HD1 TYR A 34 2.302 -5.333 -29.231 1.00 0.00 H new ATOM 0 HD2 TYR A 34 4.636 -5.383 -25.627 1.00 0.00 H new ATOM 0 HE1 TYR A 34 1.548 -3.029 -28.721 1.00 0.00 H new ATOM 0 HE2 TYR A 34 3.931 -3.057 -25.127 1.00 0.00 H new ATOM 0 HH TYR A 34 3.010 -1.063 -26.391 1.00 0.00 H new ATOM 505 N HIS A 35 5.100 -9.587 -28.356 1.00 0.00 N ATOM 506 CA HIS A 35 5.112 -10.991 -28.750 1.00 0.00 C ATOM 507 C HIS A 35 6.416 -11.395 -29.450 1.00 0.00 C ATOM 508 O HIS A 35 6.468 -12.439 -30.100 1.00 0.00 O ATOM 509 CB HIS A 35 3.882 -11.351 -29.592 1.00 0.00 C ATOM 510 CG HIS A 35 2.547 -10.862 -29.080 1.00 0.00 C ATOM 511 ND1 HIS A 35 1.347 -11.014 -29.743 1.00 0.00 N ATOM 512 CD2 HIS A 35 2.286 -10.203 -27.910 1.00 0.00 C ATOM 513 CE1 HIS A 35 0.375 -10.463 -28.998 1.00 0.00 C ATOM 514 NE2 HIS A 35 0.929 -9.955 -27.880 1.00 0.00 N ATOM 0 H HIS A 35 5.066 -9.467 -27.344 1.00 0.00 H new ATOM 0 HA HIS A 35 5.062 -11.573 -27.830 1.00 0.00 H new ATOM 0 HB2 HIS A 35 4.028 -10.954 -30.596 1.00 0.00 H new ATOM 0 HB3 HIS A 35 3.836 -12.436 -29.682 1.00 0.00 H new ATOM 0 HD1 HIS A 35 1.219 -11.469 -30.647 1.00 0.00 H new ATOM 0 HD2 HIS A 35 3.006 -9.929 -27.153 1.00 0.00 H new ATOM 0 HE1 HIS A 35 -0.674 -10.432 -29.252 1.00 0.00 H new ATOM 523 N LEU A 36 7.465 -10.578 -29.325 1.00 0.00 N ATOM 524 CA LEU A 36 8.761 -10.857 -29.934 1.00 0.00 C ATOM 525 C LEU A 36 9.421 -12.055 -29.247 1.00 0.00 C ATOM 526 O LEU A 36 9.267 -12.232 -28.038 1.00 0.00 O ATOM 527 CB LEU A 36 9.671 -9.634 -29.789 1.00 0.00 C ATOM 528 CG LEU A 36 9.173 -8.424 -30.581 1.00 0.00 C ATOM 529 CD1 LEU A 36 9.995 -7.199 -30.189 1.00 0.00 C ATOM 530 CD2 LEU A 36 9.338 -8.647 -32.082 1.00 0.00 C ATOM 0 H LEU A 36 7.436 -9.705 -28.798 1.00 0.00 H new ATOM 0 HA LEU A 36 8.610 -11.085 -30.989 1.00 0.00 H new ATOM 0 HB2 LEU A 36 9.746 -9.366 -28.735 1.00 0.00 H new ATOM 0 HB3 LEU A 36 10.675 -9.893 -30.124 1.00 0.00 H new ATOM 0 HG LEU A 36 8.117 -8.278 -30.354 1.00 0.00 H new ATOM 0 HD11 LEU A 36 9.646 -6.332 -30.750 1.00 0.00 H new ATOM 0 HD12 LEU A 36 9.881 -7.011 -29.121 1.00 0.00 H new ATOM 0 HD13 LEU A 36 11.046 -7.378 -30.416 1.00 0.00 H new ATOM 0 HD21 LEU A 36 8.976 -7.772 -32.622 1.00 0.00 H new ATOM 0 HD22 LEU A 36 10.391 -8.806 -32.313 1.00 0.00 H new ATOM 0 HD23 LEU A 36 8.764 -9.523 -32.385 1.00 0.00 H new ATOM 542 N PRO A 37 10.160 -12.879 -30.001 1.00 0.00 N ATOM 543 CA PRO A 37 10.981 -13.938 -29.445 1.00 0.00 C ATOM 544 C PRO A 37 12.218 -13.317 -28.792 1.00 0.00 C ATOM 545 O PRO A 37 12.575 -12.179 -29.089 1.00 0.00 O ATOM 546 CB PRO A 37 11.334 -14.830 -30.638 1.00 0.00 C ATOM 547 CG PRO A 37 11.372 -13.835 -31.797 1.00 0.00 C ATOM 548 CD PRO A 37 10.270 -12.840 -31.444 1.00 0.00 C ATOM 0 HA PRO A 37 10.483 -14.520 -28.670 1.00 0.00 H new ATOM 0 HB2 PRO A 37 12.293 -15.330 -30.501 1.00 0.00 H new ATOM 0 HB3 PRO A 37 10.588 -15.609 -30.797 1.00 0.00 H new ATOM 0 HG2 PRO A 37 12.344 -13.347 -31.876 1.00 0.00 H new ATOM 0 HG3 PRO A 37 11.182 -14.324 -32.753 1.00 0.00 H new ATOM 0 HD2 PRO A 37 10.521 -11.838 -31.791 1.00 0.00 H new ATOM 0 HD3 PRO A 37 9.327 -13.115 -31.917 1.00 0.00 H new ATOM 556 N GLN A 38 12.874 -14.062 -27.898 1.00 0.00 N ATOM 557 CA GLN A 38 13.977 -13.527 -27.107 1.00 0.00 C ATOM 558 C GLN A 38 15.255 -13.346 -27.925 1.00 0.00 C ATOM 559 O GLN A 38 16.236 -12.812 -27.415 1.00 0.00 O ATOM 560 CB GLN A 38 14.235 -14.427 -25.896 1.00 0.00 C ATOM 561 CG GLN A 38 13.011 -14.481 -24.984 1.00 0.00 C ATOM 562 CD GLN A 38 13.379 -14.991 -23.599 1.00 0.00 C ATOM 563 OE1 GLN A 38 13.064 -16.123 -23.236 1.00 0.00 O ATOM 564 NE2 GLN A 38 14.062 -14.162 -22.811 1.00 0.00 N ATOM 0 H GLN A 38 12.657 -15.040 -27.706 1.00 0.00 H new ATOM 0 HA GLN A 38 13.682 -12.534 -26.767 1.00 0.00 H new ATOM 0 HB2 GLN A 38 14.487 -15.433 -26.233 1.00 0.00 H new ATOM 0 HB3 GLN A 38 15.093 -14.054 -25.337 1.00 0.00 H new ATOM 0 HG2 GLN A 38 12.570 -13.487 -24.903 1.00 0.00 H new ATOM 0 HG3 GLN A 38 12.254 -15.130 -25.424 1.00 0.00 H new ATOM 0 HE21 GLN A 38 14.308 -13.229 -23.143 1.00 0.00 H new ATOM 0 HE22 GLN A 38 14.339 -14.460 -21.876 1.00 0.00 H new ATOM 573 N GLU A 39 15.259 -13.780 -29.190 1.00 0.00 N ATOM 574 CA GLU A 39 16.413 -13.611 -30.059 1.00 0.00 C ATOM 575 C GLU A 39 16.516 -12.171 -30.581 1.00 0.00 C ATOM 576 O GLU A 39 17.534 -11.809 -31.168 1.00 0.00 O ATOM 577 CB GLU A 39 16.341 -14.621 -31.211 1.00 0.00 C ATOM 578 CG GLU A 39 15.064 -14.455 -32.036 1.00 0.00 C ATOM 579 CD GLU A 39 14.959 -15.487 -33.158 1.00 0.00 C ATOM 580 OE1 GLU A 39 13.902 -15.493 -33.830 1.00 0.00 O ATOM 581 OE2 GLU A 39 15.922 -16.266 -33.340 1.00 0.00 O ATOM 0 H GLU A 39 14.469 -14.252 -29.630 1.00 0.00 H new ATOM 0 HA GLU A 39 17.318 -13.802 -29.482 1.00 0.00 H new ATOM 0 HB2 GLU A 39 17.210 -14.497 -31.858 1.00 0.00 H new ATOM 0 HB3 GLU A 39 16.385 -15.633 -30.809 1.00 0.00 H new ATOM 0 HG2 GLU A 39 14.197 -14.544 -31.381 1.00 0.00 H new ATOM 0 HG3 GLU A 39 15.038 -13.453 -32.464 1.00 0.00 H new ATOM 588 N PHE A 40 15.477 -11.355 -30.372 1.00 0.00 N ATOM 589 CA PHE A 40 15.508 -9.939 -30.710 1.00 0.00 C ATOM 590 C PHE A 40 16.386 -9.071 -29.817 1.00 0.00 C ATOM 591 O PHE A 40 16.693 -9.442 -28.683 1.00 0.00 O ATOM 592 CB PHE A 40 14.103 -9.349 -30.894 1.00 0.00 C ATOM 593 CG PHE A 40 13.441 -9.637 -32.227 1.00 0.00 C ATOM 594 CD1 PHE A 40 13.321 -10.955 -32.688 1.00 0.00 C ATOM 595 CD2 PHE A 40 12.940 -8.581 -33.007 1.00 0.00 C ATOM 596 CE1 PHE A 40 12.712 -11.219 -33.921 1.00 0.00 C ATOM 597 CE2 PHE A 40 12.316 -8.846 -34.236 1.00 0.00 C ATOM 598 CZ PHE A 40 12.208 -10.166 -34.696 1.00 0.00 C ATOM 0 H PHE A 40 14.594 -11.663 -29.964 1.00 0.00 H new ATOM 0 HA PHE A 40 16.008 -9.913 -31.678 1.00 0.00 H new ATOM 0 HB2 PHE A 40 13.461 -9.731 -30.100 1.00 0.00 H new ATOM 0 HB3 PHE A 40 14.162 -8.268 -30.764 1.00 0.00 H new ATOM 0 HD1 PHE A 40 13.700 -11.771 -32.090 1.00 0.00 H new ATOM 0 HD2 PHE A 40 13.035 -7.563 -32.660 1.00 0.00 H new ATOM 0 HE1 PHE A 40 12.631 -12.236 -34.275 1.00 0.00 H new ATOM 0 HE2 PHE A 40 11.919 -8.034 -34.827 1.00 0.00 H new ATOM 0 HZ PHE A 40 11.737 -10.371 -35.646 1.00 0.00 H new ATOM 608 N GLY A 41 16.792 -7.913 -30.334 1.00 0.00 N ATOM 609 CA GLY A 41 17.609 -6.960 -29.607 1.00 0.00 C ATOM 610 C GLY A 41 17.414 -5.560 -30.175 1.00 0.00 C ATOM 611 O GLY A 41 16.680 -5.380 -31.145 1.00 0.00 O ATOM 0 H GLY A 41 16.557 -7.612 -31.280 1.00 0.00 H new ATOM 0 HA2 GLY A 41 17.342 -6.972 -28.550 1.00 0.00 H new ATOM 0 HA3 GLY A 41 18.659 -7.245 -29.674 1.00 0.00 H new ATOM 615 N ASP A 42 18.063 -4.561 -29.574 1.00 0.00 N ATOM 616 CA ASP A 42 17.894 -3.176 -29.977 1.00 0.00 C ATOM 617 C ASP A 42 18.216 -2.894 -31.442 1.00 0.00 C ATOM 618 O ASP A 42 17.485 -2.163 -32.109 1.00 0.00 O ATOM 619 CB ASP A 42 18.665 -2.229 -29.049 1.00 0.00 C ATOM 620 CG ASP A 42 20.101 -2.662 -28.739 1.00 0.00 C ATOM 621 OD1 ASP A 42 20.597 -3.610 -29.388 1.00 0.00 O ATOM 622 OD2 ASP A 42 20.696 -2.030 -27.837 1.00 0.00 O ATOM 0 H ASP A 42 18.714 -4.694 -28.801 1.00 0.00 H new ATOM 0 HA ASP A 42 16.826 -2.981 -29.878 1.00 0.00 H new ATOM 0 HB2 ASP A 42 18.689 -1.238 -29.503 1.00 0.00 H new ATOM 0 HB3 ASP A 42 18.118 -2.137 -28.111 1.00 0.00 H new ATOM 627 N GLN A 43 19.304 -3.474 -31.947 1.00 0.00 N ATOM 628 CA GLN A 43 19.700 -3.286 -33.332 1.00 0.00 C ATOM 629 C GLN A 43 18.888 -4.182 -34.262 1.00 0.00 C ATOM 630 O GLN A 43 18.692 -3.853 -35.432 1.00 0.00 O ATOM 631 CB GLN A 43 21.191 -3.591 -33.465 1.00 0.00 C ATOM 632 CG GLN A 43 21.683 -3.176 -34.854 1.00 0.00 C ATOM 633 CD GLN A 43 23.202 -3.083 -34.922 1.00 0.00 C ATOM 634 OE1 GLN A 43 23.916 -3.731 -34.159 1.00 0.00 O ATOM 635 NE2 GLN A 43 23.705 -2.270 -35.848 1.00 0.00 N ATOM 0 H GLN A 43 19.926 -4.079 -31.411 1.00 0.00 H new ATOM 0 HA GLN A 43 19.507 -2.253 -33.621 1.00 0.00 H new ATOM 0 HB2 GLN A 43 21.751 -3.058 -32.697 1.00 0.00 H new ATOM 0 HB3 GLN A 43 21.369 -4.655 -33.309 1.00 0.00 H new ATOM 0 HG2 GLN A 43 21.331 -3.896 -35.592 1.00 0.00 H new ATOM 0 HG3 GLN A 43 21.249 -2.211 -35.118 1.00 0.00 H new ATOM 0 HE21 GLN A 43 23.080 -1.749 -36.463 1.00 0.00 H new ATOM 0 HE22 GLN A 43 24.715 -2.168 -35.943 1.00 0.00 H new ATOM 644 N ASP A 44 18.408 -5.318 -33.752 1.00 0.00 N ATOM 645 CA ASP A 44 17.603 -6.233 -34.542 1.00 0.00 C ATOM 646 C ASP A 44 16.194 -5.728 -34.830 1.00 0.00 C ATOM 647 O ASP A 44 15.684 -5.913 -35.935 1.00 0.00 O ATOM 648 CB ASP A 44 17.593 -7.623 -33.906 1.00 0.00 C ATOM 649 CG ASP A 44 18.933 -8.347 -34.044 1.00 0.00 C ATOM 650 OD1 ASP A 44 19.863 -7.769 -34.651 1.00 0.00 O ATOM 651 OD2 ASP A 44 19.017 -9.485 -33.533 1.00 0.00 O ATOM 0 H ASP A 44 18.567 -5.621 -32.791 1.00 0.00 H new ATOM 0 HA ASP A 44 18.081 -6.299 -35.520 1.00 0.00 H new ATOM 0 HB2 ASP A 44 17.341 -7.532 -32.849 1.00 0.00 H new ATOM 0 HB3 ASP A 44 16.811 -8.224 -34.370 1.00 0.00 H new ATOM 656 N ILE A 45 15.561 -5.090 -33.840 1.00 0.00 N ATOM 657 CA ILE A 45 14.249 -4.498 -34.036 1.00 0.00 C ATOM 658 C ILE A 45 14.406 -3.188 -34.813 1.00 0.00 C ATOM 659 O ILE A 45 13.466 -2.745 -35.472 1.00 0.00 O ATOM 660 CB ILE A 45 13.575 -4.288 -32.675 1.00 0.00 C ATOM 661 CG1 ILE A 45 12.077 -4.038 -32.888 1.00 0.00 C ATOM 662 CG2 ILE A 45 14.209 -3.131 -31.898 1.00 0.00 C ATOM 663 CD1 ILE A 45 11.333 -4.014 -31.553 1.00 0.00 C ATOM 0 H ILE A 45 15.941 -4.975 -32.900 1.00 0.00 H new ATOM 0 HA ILE A 45 13.608 -5.160 -34.619 1.00 0.00 H new ATOM 0 HB ILE A 45 13.717 -5.188 -32.077 1.00 0.00 H new ATOM 0 HG12 ILE A 45 11.932 -3.090 -33.407 1.00 0.00 H new ATOM 0 HG13 ILE A 45 11.661 -4.817 -33.527 1.00 0.00 H new ATOM 0 HG21 ILE A 45 13.703 -3.016 -30.940 1.00 0.00 H new ATOM 0 HG22 ILE A 45 15.265 -3.342 -31.727 1.00 0.00 H new ATOM 0 HG23 ILE A 45 14.112 -2.210 -32.473 1.00 0.00 H new ATOM 0 HD11 ILE A 45 10.273 -3.835 -31.731 1.00 0.00 H new ATOM 0 HD12 ILE A 45 11.460 -4.972 -31.048 1.00 0.00 H new ATOM 0 HD13 ILE A 45 11.735 -3.218 -30.927 1.00 0.00 H new ATOM 675 N LEU A 46 15.590 -2.568 -34.746 1.00 0.00 N ATOM 676 CA LEU A 46 15.873 -1.368 -35.514 1.00 0.00 C ATOM 677 C LEU A 46 15.891 -1.709 -37.000 1.00 0.00 C ATOM 678 O LEU A 46 15.192 -1.077 -37.789 1.00 0.00 O ATOM 679 CB LEU A 46 17.223 -0.793 -35.072 1.00 0.00 C ATOM 680 CG LEU A 46 17.642 0.409 -35.924 1.00 0.00 C ATOM 681 CD1 LEU A 46 16.746 1.618 -35.667 1.00 0.00 C ATOM 682 CD2 LEU A 46 19.090 0.777 -35.607 1.00 0.00 C ATOM 0 H LEU A 46 16.365 -2.885 -34.163 1.00 0.00 H new ATOM 0 HA LEU A 46 15.099 -0.620 -35.339 1.00 0.00 H new ATOM 0 HB2 LEU A 46 17.164 -0.493 -34.026 1.00 0.00 H new ATOM 0 HB3 LEU A 46 17.986 -1.568 -35.139 1.00 0.00 H new ATOM 0 HG LEU A 46 17.543 0.130 -36.973 1.00 0.00 H new ATOM 0 HD11 LEU A 46 17.073 2.452 -36.288 1.00 0.00 H new ATOM 0 HD12 LEU A 46 15.714 1.365 -35.912 1.00 0.00 H new ATOM 0 HD13 LEU A 46 16.810 1.902 -34.617 1.00 0.00 H new ATOM 0 HD21 LEU A 46 19.389 1.632 -36.213 1.00 0.00 H new ATOM 0 HD22 LEU A 46 19.178 1.032 -34.551 1.00 0.00 H new ATOM 0 HD23 LEU A 46 19.738 -0.070 -35.831 1.00 0.00 H new ATOM 694 N GLN A 47 16.687 -2.711 -37.380 1.00 0.00 N ATOM 695 CA GLN A 47 16.807 -3.125 -38.772 1.00 0.00 C ATOM 696 C GLN A 47 15.491 -3.683 -39.304 1.00 0.00 C ATOM 697 O GLN A 47 15.271 -3.681 -40.513 1.00 0.00 O ATOM 698 CB GLN A 47 17.913 -4.178 -38.884 1.00 0.00 C ATOM 699 CG GLN A 47 19.290 -3.544 -38.668 1.00 0.00 C ATOM 700 CD GLN A 47 19.789 -2.805 -39.909 1.00 0.00 C ATOM 701 OE1 GLN A 47 19.094 -2.706 -40.918 1.00 0.00 O ATOM 702 NE2 GLN A 47 21.008 -2.277 -39.843 1.00 0.00 N ATOM 0 H GLN A 47 17.261 -3.252 -36.734 1.00 0.00 H new ATOM 0 HA GLN A 47 17.059 -2.253 -39.376 1.00 0.00 H new ATOM 0 HB2 GLN A 47 17.750 -4.964 -38.146 1.00 0.00 H new ATOM 0 HB3 GLN A 47 17.875 -4.650 -39.866 1.00 0.00 H new ATOM 0 HG2 GLN A 47 19.240 -2.849 -37.830 1.00 0.00 H new ATOM 0 HG3 GLN A 47 20.006 -4.320 -38.397 1.00 0.00 H new ATOM 0 HE21 GLN A 47 21.561 -2.376 -38.992 1.00 0.00 H new ATOM 0 HE22 GLN A 47 21.390 -1.773 -40.644 1.00 0.00 H new ATOM 711 N MET A 48 14.617 -4.157 -38.410 1.00 0.00 N ATOM 712 CA MET A 48 13.312 -4.659 -38.800 1.00 0.00 C ATOM 713 C MET A 48 12.366 -3.505 -39.131 1.00 0.00 C ATOM 714 O MET A 48 11.468 -3.662 -39.958 1.00 0.00 O ATOM 715 CB MET A 48 12.767 -5.512 -37.649 1.00 0.00 C ATOM 716 CG MET A 48 11.372 -6.054 -37.952 1.00 0.00 C ATOM 717 SD MET A 48 11.310 -7.278 -39.289 1.00 0.00 S ATOM 718 CE MET A 48 12.022 -8.709 -38.432 1.00 0.00 C ATOM 0 H MET A 48 14.799 -4.200 -37.407 1.00 0.00 H new ATOM 0 HA MET A 48 13.397 -5.269 -39.700 1.00 0.00 H new ATOM 0 HB2 MET A 48 13.446 -6.343 -37.460 1.00 0.00 H new ATOM 0 HB3 MET A 48 12.734 -4.914 -36.738 1.00 0.00 H new ATOM 0 HG2 MET A 48 10.967 -6.505 -37.046 1.00 0.00 H new ATOM 0 HG3 MET A 48 10.721 -5.219 -38.211 1.00 0.00 H new ATOM 0 HE1 MET A 48 11.930 -9.594 -39.062 1.00 0.00 H new ATOM 0 HE2 MET A 48 13.075 -8.521 -38.223 1.00 0.00 H new ATOM 0 HE3 MET A 48 11.490 -8.874 -37.495 1.00 0.00 H new ATOM 728 N PHE A 49 12.564 -2.344 -38.494 1.00 0.00 N ATOM 729 CA PHE A 49 11.709 -1.179 -38.671 1.00 0.00 C ATOM 730 C PHE A 49 12.233 -0.013 -39.510 1.00 0.00 C ATOM 731 O PHE A 49 11.476 0.904 -39.825 1.00 0.00 O ATOM 732 CB PHE A 49 11.059 -0.762 -37.351 1.00 0.00 C ATOM 733 CG PHE A 49 9.906 -1.651 -36.931 1.00 0.00 C ATOM 734 CD1 PHE A 49 10.148 -2.952 -36.468 1.00 0.00 C ATOM 735 CD2 PHE A 49 8.591 -1.172 -37.007 1.00 0.00 C ATOM 736 CE1 PHE A 49 9.074 -3.773 -36.095 1.00 0.00 C ATOM 737 CE2 PHE A 49 7.519 -1.995 -36.635 1.00 0.00 C ATOM 738 CZ PHE A 49 7.759 -3.299 -36.182 1.00 0.00 C ATOM 0 H PHE A 49 13.330 -2.193 -37.838 1.00 0.00 H new ATOM 0 HA PHE A 49 10.931 -1.541 -39.343 1.00 0.00 H new ATOM 0 HB2 PHE A 49 11.815 -0.768 -36.566 1.00 0.00 H new ATOM 0 HB3 PHE A 49 10.701 0.264 -37.441 1.00 0.00 H new ATOM 0 HD1 PHE A 49 11.160 -3.322 -36.399 1.00 0.00 H new ATOM 0 HD2 PHE A 49 8.403 -0.166 -37.353 1.00 0.00 H new ATOM 0 HE1 PHE A 49 9.262 -4.775 -35.739 1.00 0.00 H new ATOM 0 HE2 PHE A 49 6.507 -1.624 -36.698 1.00 0.00 H new ATOM 0 HZ PHE A 49 6.933 -3.936 -35.901 1.00 0.00 H new ATOM 748 N MET A 50 13.514 -0.027 -39.885 1.00 0.00 N ATOM 749 CA MET A 50 14.080 1.029 -40.717 1.00 0.00 C ATOM 750 C MET A 50 13.548 1.090 -42.155 1.00 0.00 C ATOM 751 O MET A 50 13.536 2.185 -42.718 1.00 0.00 O ATOM 752 CB MET A 50 15.604 0.931 -40.743 1.00 0.00 C ATOM 753 CG MET A 50 16.212 1.506 -39.461 1.00 0.00 C ATOM 754 SD MET A 50 17.965 1.939 -39.589 1.00 0.00 S ATOM 755 CE MET A 50 18.658 0.299 -39.906 1.00 0.00 C ATOM 0 H MET A 50 14.176 -0.758 -39.624 1.00 0.00 H new ATOM 0 HA MET A 50 13.755 1.955 -40.242 1.00 0.00 H new ATOM 0 HB2 MET A 50 15.903 -0.111 -40.856 1.00 0.00 H new ATOM 0 HB3 MET A 50 15.992 1.470 -41.607 1.00 0.00 H new ATOM 0 HG2 MET A 50 15.651 2.396 -39.175 1.00 0.00 H new ATOM 0 HG3 MET A 50 16.088 0.780 -38.658 1.00 0.00 H new ATOM 0 HE1 MET A 50 19.743 0.370 -39.978 1.00 0.00 H new ATOM 0 HE2 MET A 50 18.392 -0.373 -39.090 1.00 0.00 H new ATOM 0 HE3 MET A 50 18.257 -0.091 -40.842 1.00 0.00 H new ATOM 765 N PRO A 51 13.103 0.000 -42.805 1.00 0.00 N ATOM 766 CA PRO A 51 12.589 0.097 -44.166 1.00 0.00 C ATOM 767 C PRO A 51 11.221 0.781 -44.209 1.00 0.00 C ATOM 768 O PRO A 51 10.740 1.118 -45.289 1.00 0.00 O ATOM 769 CB PRO A 51 12.505 -1.344 -44.668 1.00 0.00 C ATOM 770 CG PRO A 51 12.231 -2.128 -43.389 1.00 0.00 C ATOM 771 CD PRO A 51 13.060 -1.377 -42.348 1.00 0.00 C ATOM 0 HA PRO A 51 13.238 0.709 -44.793 1.00 0.00 H new ATOM 0 HB2 PRO A 51 11.708 -1.472 -45.400 1.00 0.00 H new ATOM 0 HB3 PRO A 51 13.432 -1.661 -45.147 1.00 0.00 H new ATOM 0 HG2 PRO A 51 11.171 -2.132 -43.136 1.00 0.00 H new ATOM 0 HG3 PRO A 51 12.541 -3.169 -43.478 1.00 0.00 H new ATOM 0 HD2 PRO A 51 12.606 -1.448 -41.359 1.00 0.00 H new ATOM 0 HD3 PRO A 51 14.063 -1.796 -42.269 1.00 0.00 H new ATOM 779 N PHE A 52 10.589 0.991 -43.050 1.00 0.00 N ATOM 780 CA PHE A 52 9.285 1.636 -42.970 1.00 0.00 C ATOM 781 C PHE A 52 9.391 3.157 -42.927 1.00 0.00 C ATOM 782 O PHE A 52 8.397 3.850 -43.131 1.00 0.00 O ATOM 783 CB PHE A 52 8.551 1.097 -41.744 1.00 0.00 C ATOM 784 CG PHE A 52 8.331 -0.398 -41.774 1.00 0.00 C ATOM 785 CD1 PHE A 52 7.848 -1.024 -42.932 1.00 0.00 C ATOM 786 CD2 PHE A 52 8.619 -1.164 -40.637 1.00 0.00 C ATOM 787 CE1 PHE A 52 7.671 -2.414 -42.957 1.00 0.00 C ATOM 788 CE2 PHE A 52 8.436 -2.554 -40.658 1.00 0.00 C ATOM 789 CZ PHE A 52 7.968 -3.181 -41.819 1.00 0.00 C ATOM 0 H PHE A 52 10.971 0.717 -42.145 1.00 0.00 H new ATOM 0 HA PHE A 52 8.722 1.401 -43.873 1.00 0.00 H new ATOM 0 HB2 PHE A 52 9.119 1.353 -40.850 1.00 0.00 H new ATOM 0 HB3 PHE A 52 7.585 1.596 -41.662 1.00 0.00 H new ATOM 0 HD1 PHE A 52 7.612 -0.434 -43.806 1.00 0.00 H new ATOM 0 HD2 PHE A 52 8.983 -0.682 -39.742 1.00 0.00 H new ATOM 0 HE1 PHE A 52 7.306 -2.896 -43.852 1.00 0.00 H new ATOM 0 HE2 PHE A 52 8.656 -3.141 -39.779 1.00 0.00 H new ATOM 0 HZ PHE A 52 7.836 -4.253 -41.839 1.00 0.00 H new ATOM 799 N GLY A 53 10.591 3.685 -42.662 1.00 0.00 N ATOM 800 CA GLY A 53 10.827 5.119 -42.609 1.00 0.00 C ATOM 801 C GLY A 53 12.003 5.456 -41.696 1.00 0.00 C ATOM 802 O GLY A 53 12.715 4.566 -41.236 1.00 0.00 O ATOM 0 H GLY A 53 11.422 3.123 -42.479 1.00 0.00 H new ATOM 0 HA2 GLY A 53 11.025 5.494 -43.613 1.00 0.00 H new ATOM 0 HA3 GLY A 53 9.930 5.624 -42.251 1.00 0.00 H new ATOM 806 N ASN A 54 12.211 6.748 -41.432 1.00 0.00 N ATOM 807 CA ASN A 54 13.323 7.192 -40.611 1.00 0.00 C ATOM 808 C ASN A 54 13.038 6.938 -39.136 1.00 0.00 C ATOM 809 O ASN A 54 12.280 7.674 -38.501 1.00 0.00 O ATOM 810 CB ASN A 54 13.576 8.679 -40.871 1.00 0.00 C ATOM 811 CG ASN A 54 14.656 9.235 -39.959 1.00 0.00 C ATOM 812 OD1 ASN A 54 15.566 8.520 -39.547 1.00 0.00 O ATOM 813 ND2 ASN A 54 14.566 10.523 -39.644 1.00 0.00 N ATOM 0 H ASN A 54 11.618 7.502 -41.779 1.00 0.00 H new ATOM 0 HA ASN A 54 14.216 6.626 -40.875 1.00 0.00 H new ATOM 0 HB2 ASN A 54 13.870 8.821 -41.911 1.00 0.00 H new ATOM 0 HB3 ASN A 54 12.651 9.237 -40.722 1.00 0.00 H new ATOM 0 HD21 ASN A 54 15.268 10.951 -39.040 1.00 0.00 H new ATOM 0 HD22 ASN A 54 13.795 11.084 -40.006 1.00 0.00 H new ATOM 820 N VAL A 55 13.654 5.885 -38.595 1.00 0.00 N ATOM 821 CA VAL A 55 13.551 5.545 -37.187 1.00 0.00 C ATOM 822 C VAL A 55 14.576 6.371 -36.415 1.00 0.00 C ATOM 823 O VAL A 55 15.770 6.303 -36.708 1.00 0.00 O ATOM 824 CB VAL A 55 13.820 4.048 -37.009 1.00 0.00 C ATOM 825 CG1 VAL A 55 13.850 3.677 -35.525 1.00 0.00 C ATOM 826 CG2 VAL A 55 12.725 3.242 -37.705 1.00 0.00 C ATOM 0 H VAL A 55 14.240 5.245 -39.130 1.00 0.00 H new ATOM 0 HA VAL A 55 12.553 5.765 -36.809 1.00 0.00 H new ATOM 0 HB VAL A 55 14.789 3.818 -37.451 1.00 0.00 H new ATOM 0 HG11 VAL A 55 14.042 2.609 -35.421 1.00 0.00 H new ATOM 0 HG12 VAL A 55 14.640 4.238 -35.025 1.00 0.00 H new ATOM 0 HG13 VAL A 55 12.889 3.919 -35.070 1.00 0.00 H new ATOM 0 HG21 VAL A 55 12.919 2.177 -37.576 1.00 0.00 H new ATOM 0 HG22 VAL A 55 11.758 3.490 -37.268 1.00 0.00 H new ATOM 0 HG23 VAL A 55 12.715 3.483 -38.768 1.00 0.00 H new ATOM 836 N ILE A 56 14.126 7.153 -35.428 1.00 0.00 N ATOM 837 CA ILE A 56 15.035 7.969 -34.632 1.00 0.00 C ATOM 838 C ILE A 56 15.708 7.100 -33.574 1.00 0.00 C ATOM 839 O ILE A 56 16.874 7.315 -33.245 1.00 0.00 O ATOM 840 CB ILE A 56 14.281 9.131 -33.974 1.00 0.00 C ATOM 841 CG1 ILE A 56 13.470 9.913 -35.013 1.00 0.00 C ATOM 842 CG2 ILE A 56 15.293 10.054 -33.286 1.00 0.00 C ATOM 843 CD1 ILE A 56 12.887 11.200 -34.432 1.00 0.00 C ATOM 0 H ILE A 56 13.144 7.235 -35.166 1.00 0.00 H new ATOM 0 HA ILE A 56 15.799 8.390 -35.286 1.00 0.00 H new ATOM 0 HB ILE A 56 13.583 8.734 -33.237 1.00 0.00 H new ATOM 0 HG12 ILE A 56 14.107 10.155 -35.863 1.00 0.00 H new ATOM 0 HG13 ILE A 56 12.662 9.286 -35.389 1.00 0.00 H new ATOM 0 HG21 ILE A 56 14.767 10.884 -32.815 1.00 0.00 H new ATOM 0 HG22 ILE A 56 15.840 9.494 -32.528 1.00 0.00 H new ATOM 0 HG23 ILE A 56 15.993 10.442 -34.026 1.00 0.00 H new ATOM 0 HD11 ILE A 56 12.320 11.723 -35.202 1.00 0.00 H new ATOM 0 HD12 ILE A 56 12.228 10.957 -33.598 1.00 0.00 H new ATOM 0 HD13 ILE A 56 13.696 11.840 -34.080 1.00 0.00 H new ATOM 855 N SER A 57 14.981 6.115 -33.039 1.00 0.00 N ATOM 856 CA SER A 57 15.496 5.240 -32.000 1.00 0.00 C ATOM 857 C SER A 57 14.717 3.927 -31.971 1.00 0.00 C ATOM 858 O SER A 57 13.569 3.860 -32.408 1.00 0.00 O ATOM 859 CB SER A 57 15.389 5.952 -30.656 1.00 0.00 C ATOM 860 OG SER A 57 15.917 5.160 -29.614 1.00 0.00 O ATOM 0 H SER A 57 14.022 5.908 -33.318 1.00 0.00 H new ATOM 0 HA SER A 57 16.540 5.006 -32.207 1.00 0.00 H new ATOM 0 HB2 SER A 57 15.923 6.901 -30.701 1.00 0.00 H new ATOM 0 HB3 SER A 57 14.345 6.184 -30.447 1.00 0.00 H new ATOM 0 HG SER A 57 15.837 5.642 -28.764 1.00 0.00 H new ATOM 866 N ALA A 58 15.360 2.881 -31.447 1.00 0.00 N ATOM 867 CA ALA A 58 14.776 1.558 -31.330 1.00 0.00 C ATOM 868 C ALA A 58 15.471 0.805 -30.199 1.00 0.00 C ATOM 869 O ALA A 58 16.695 0.876 -30.069 1.00 0.00 O ATOM 870 CB ALA A 58 14.940 0.829 -32.662 1.00 0.00 C ATOM 0 H ALA A 58 16.314 2.938 -31.089 1.00 0.00 H new ATOM 0 HA ALA A 58 13.713 1.623 -31.097 1.00 0.00 H new ATOM 0 HB1 ALA A 58 14.505 -0.168 -32.587 1.00 0.00 H new ATOM 0 HB2 ALA A 58 14.433 1.389 -33.448 1.00 0.00 H new ATOM 0 HB3 ALA A 58 16.000 0.745 -32.903 1.00 0.00 H new ATOM 876 N LYS A 59 14.701 0.085 -29.380 1.00 0.00 N ATOM 877 CA LYS A 59 15.244 -0.624 -28.230 1.00 0.00 C ATOM 878 C LYS A 59 14.322 -1.751 -27.782 1.00 0.00 C ATOM 879 O LYS A 59 13.114 -1.561 -27.670 1.00 0.00 O ATOM 880 CB LYS A 59 15.481 0.393 -27.103 1.00 0.00 C ATOM 881 CG LYS A 59 15.878 -0.269 -25.774 1.00 0.00 C ATOM 882 CD LYS A 59 14.715 -0.407 -24.791 1.00 0.00 C ATOM 883 CE LYS A 59 14.186 0.975 -24.401 1.00 0.00 C ATOM 884 NZ LYS A 59 13.287 0.894 -23.235 1.00 0.00 N ATOM 0 H LYS A 59 13.693 -0.020 -29.497 1.00 0.00 H new ATOM 0 HA LYS A 59 16.189 -1.093 -28.503 1.00 0.00 H new ATOM 0 HB2 LYS A 59 16.265 1.087 -27.406 1.00 0.00 H new ATOM 0 HB3 LYS A 59 14.575 0.981 -26.954 1.00 0.00 H new ATOM 0 HG2 LYS A 59 16.290 -1.257 -25.978 1.00 0.00 H new ATOM 0 HG3 LYS A 59 16.670 0.317 -25.308 1.00 0.00 H new ATOM 0 HD2 LYS A 59 13.916 -0.996 -25.242 1.00 0.00 H new ATOM 0 HD3 LYS A 59 15.043 -0.943 -23.901 1.00 0.00 H new ATOM 0 HE2 LYS A 59 15.022 1.636 -24.173 1.00 0.00 H new ATOM 0 HE3 LYS A 59 13.653 1.414 -25.244 1.00 0.00 H new ATOM 0 HZ1 LYS A 59 12.998 1.852 -22.952 1.00 0.00 H new ATOM 0 HZ2 LYS A 59 12.444 0.338 -23.484 1.00 0.00 H new ATOM 0 HZ3 LYS A 59 13.784 0.435 -22.445 1.00 0.00 H new ATOM 898 N VAL A 60 14.901 -2.923 -27.524 1.00 0.00 N ATOM 899 CA VAL A 60 14.172 -4.059 -26.976 1.00 0.00 C ATOM 900 C VAL A 60 14.357 -4.015 -25.463 1.00 0.00 C ATOM 901 O VAL A 60 15.441 -3.701 -24.975 1.00 0.00 O ATOM 902 CB VAL A 60 14.729 -5.363 -27.561 1.00 0.00 C ATOM 903 CG1 VAL A 60 14.279 -6.583 -26.762 1.00 0.00 C ATOM 904 CG2 VAL A 60 14.230 -5.513 -28.997 1.00 0.00 C ATOM 0 H VAL A 60 15.890 -3.109 -27.690 1.00 0.00 H new ATOM 0 HA VAL A 60 13.113 -4.014 -27.228 1.00 0.00 H new ATOM 0 HB VAL A 60 15.817 -5.311 -27.522 1.00 0.00 H new ATOM 0 HG11 VAL A 60 14.696 -7.485 -27.210 1.00 0.00 H new ATOM 0 HG12 VAL A 60 14.629 -6.494 -25.734 1.00 0.00 H new ATOM 0 HG13 VAL A 60 13.191 -6.643 -26.771 1.00 0.00 H new ATOM 0 HG21 VAL A 60 14.620 -6.437 -29.423 1.00 0.00 H new ATOM 0 HG22 VAL A 60 13.140 -5.543 -29.002 1.00 0.00 H new ATOM 0 HG23 VAL A 60 14.573 -4.666 -29.592 1.00 0.00 H new ATOM 914 N PHE A 61 13.296 -4.327 -24.717 1.00 0.00 N ATOM 915 CA PHE A 61 13.340 -4.318 -23.267 1.00 0.00 C ATOM 916 C PHE A 61 14.183 -5.422 -22.636 1.00 0.00 C ATOM 917 O PHE A 61 14.322 -6.497 -23.220 1.00 0.00 O ATOM 918 CB PHE A 61 11.940 -4.218 -22.660 1.00 0.00 C ATOM 919 CG PHE A 61 11.311 -2.839 -22.681 1.00 0.00 C ATOM 920 CD1 PHE A 61 11.266 -2.075 -23.856 1.00 0.00 C ATOM 921 CD2 PHE A 61 10.753 -2.325 -21.503 1.00 0.00 C ATOM 922 CE1 PHE A 61 10.641 -0.821 -23.858 1.00 0.00 C ATOM 923 CE2 PHE A 61 10.132 -1.069 -21.501 1.00 0.00 C ATOM 924 CZ PHE A 61 10.068 -0.319 -22.682 1.00 0.00 C ATOM 0 H PHE A 61 12.390 -4.591 -25.105 1.00 0.00 H new ATOM 0 HA PHE A 61 13.879 -3.407 -23.008 1.00 0.00 H new ATOM 0 HB2 PHE A 61 11.283 -4.905 -23.193 1.00 0.00 H new ATOM 0 HB3 PHE A 61 11.987 -4.560 -21.626 1.00 0.00 H new ATOM 0 HD1 PHE A 61 11.715 -2.454 -24.762 1.00 0.00 H new ATOM 0 HD2 PHE A 61 10.802 -2.901 -20.591 1.00 0.00 H new ATOM 0 HE1 PHE A 61 10.601 -0.240 -24.768 1.00 0.00 H new ATOM 0 HE2 PHE A 61 9.703 -0.680 -20.590 1.00 0.00 H new ATOM 0 HZ PHE A 61 9.578 0.644 -22.686 1.00 0.00 H new ATOM 934 N ILE A 62 14.744 -5.169 -21.454 1.00 0.00 N ATOM 935 CA ILE A 62 15.582 -6.131 -20.756 1.00 0.00 C ATOM 936 C ILE A 62 15.067 -6.336 -19.334 1.00 0.00 C ATOM 937 O ILE A 62 14.606 -5.391 -18.694 1.00 0.00 O ATOM 938 CB ILE A 62 17.039 -5.656 -20.742 1.00 0.00 C ATOM 939 CG1 ILE A 62 17.577 -5.291 -22.134 1.00 0.00 C ATOM 940 CG2 ILE A 62 17.912 -6.738 -20.103 1.00 0.00 C ATOM 941 CD1 ILE A 62 17.671 -6.482 -23.089 1.00 0.00 C ATOM 0 H ILE A 62 14.627 -4.287 -20.956 1.00 0.00 H new ATOM 0 HA ILE A 62 15.540 -7.085 -21.281 1.00 0.00 H new ATOM 0 HB ILE A 62 17.074 -4.738 -20.156 1.00 0.00 H new ATOM 0 HG12 ILE A 62 16.931 -4.532 -22.576 1.00 0.00 H new ATOM 0 HG13 ILE A 62 18.565 -4.844 -22.026 1.00 0.00 H new ATOM 0 HG21 ILE A 62 18.950 -6.407 -20.090 1.00 0.00 H new ATOM 0 HG22 ILE A 62 17.576 -6.921 -19.082 1.00 0.00 H new ATOM 0 HG23 ILE A 62 17.832 -7.658 -20.681 1.00 0.00 H new ATOM 0 HD11 ILE A 62 18.059 -6.147 -24.051 1.00 0.00 H new ATOM 0 HD12 ILE A 62 18.341 -7.233 -22.669 1.00 0.00 H new ATOM 0 HD13 ILE A 62 16.681 -6.916 -23.228 1.00 0.00 H new ATOM 953 N ASP A 63 15.143 -7.573 -18.835 1.00 0.00 N ATOM 954 CA ASP A 63 14.736 -7.904 -17.477 1.00 0.00 C ATOM 955 C ASP A 63 15.953 -7.781 -16.563 1.00 0.00 C ATOM 956 O ASP A 63 17.009 -8.326 -16.872 1.00 0.00 O ATOM 957 CB ASP A 63 14.202 -9.338 -17.473 1.00 0.00 C ATOM 958 CG ASP A 63 13.582 -9.737 -16.138 1.00 0.00 C ATOM 959 OD1 ASP A 63 13.045 -10.862 -16.072 1.00 0.00 O ATOM 960 OD2 ASP A 63 13.650 -8.921 -15.192 1.00 0.00 O ATOM 0 H ASP A 63 15.490 -8.371 -19.367 1.00 0.00 H new ATOM 0 HA ASP A 63 13.957 -7.230 -17.122 1.00 0.00 H new ATOM 0 HB2 ASP A 63 13.456 -9.445 -18.261 1.00 0.00 H new ATOM 0 HB3 ASP A 63 15.015 -10.024 -17.709 1.00 0.00 H new ATOM 965 N LYS A 64 15.820 -7.075 -15.436 1.00 0.00 N ATOM 966 CA LYS A 64 16.928 -6.904 -14.505 1.00 0.00 C ATOM 967 C LYS A 64 17.172 -8.168 -13.675 1.00 0.00 C ATOM 968 O LYS A 64 18.178 -8.260 -12.976 1.00 0.00 O ATOM 969 CB LYS A 64 16.688 -5.688 -13.598 1.00 0.00 C ATOM 970 CG LYS A 64 15.564 -5.857 -12.563 1.00 0.00 C ATOM 971 CD LYS A 64 14.146 -5.838 -13.150 1.00 0.00 C ATOM 972 CE LYS A 64 13.867 -4.556 -13.941 1.00 0.00 C ATOM 973 NZ LYS A 64 13.952 -3.357 -13.084 1.00 0.00 N ATOM 0 H LYS A 64 14.955 -6.615 -15.151 1.00 0.00 H new ATOM 0 HA LYS A 64 17.829 -6.725 -15.092 1.00 0.00 H new ATOM 0 HB2 LYS A 64 17.614 -5.459 -13.071 1.00 0.00 H new ATOM 0 HB3 LYS A 64 16.457 -4.827 -14.225 1.00 0.00 H new ATOM 0 HG2 LYS A 64 15.712 -6.800 -12.036 1.00 0.00 H new ATOM 0 HG3 LYS A 64 15.647 -5.061 -11.823 1.00 0.00 H new ATOM 0 HD2 LYS A 64 14.012 -6.702 -13.801 1.00 0.00 H new ATOM 0 HD3 LYS A 64 13.419 -5.931 -12.343 1.00 0.00 H new ATOM 0 HE2 LYS A 64 14.582 -4.470 -14.759 1.00 0.00 H new ATOM 0 HE3 LYS A 64 12.875 -4.613 -14.389 1.00 0.00 H new ATOM 0 HZ1 LYS A 64 13.659 -2.520 -13.628 1.00 0.00 H new ATOM 0 HZ2 LYS A 64 13.326 -3.473 -12.262 1.00 0.00 H new ATOM 0 HZ3 LYS A 64 14.932 -3.232 -12.758 1.00 0.00 H new ATOM 987 N GLN A 65 16.258 -9.143 -13.744 1.00 0.00 N ATOM 988 CA GLN A 65 16.356 -10.383 -12.989 1.00 0.00 C ATOM 989 C GLN A 65 17.150 -11.455 -13.732 1.00 0.00 C ATOM 990 O GLN A 65 17.672 -12.378 -13.105 1.00 0.00 O ATOM 991 CB GLN A 65 14.945 -10.916 -12.744 1.00 0.00 C ATOM 992 CG GLN A 65 14.115 -9.982 -11.863 1.00 0.00 C ATOM 993 CD GLN A 65 14.667 -9.894 -10.445 1.00 0.00 C ATOM 994 OE1 GLN A 65 15.597 -8.970 -10.210 1.00 0.00 O flip ATOM 995 NE2 GLN A 65 14.267 -10.652 -9.567 1.00 0.00 N flip ATOM 0 H GLN A 65 15.426 -9.087 -14.332 1.00 0.00 H new ATOM 0 HA GLN A 65 16.876 -10.164 -12.056 1.00 0.00 H new ATOM 0 HB2 GLN A 65 14.440 -11.053 -13.700 1.00 0.00 H new ATOM 0 HB3 GLN A 65 15.007 -11.897 -12.272 1.00 0.00 H new ATOM 0 HG2 GLN A 65 14.096 -8.987 -12.307 1.00 0.00 H new ATOM 0 HG3 GLN A 65 13.085 -10.336 -11.830 1.00 0.00 H new ATOM 0 HE21 GLN A 65 13.553 -11.349 -9.781 1.00 0.00 H new ATOM 0 HE22 GLN A 65 14.648 -10.585 -8.623 1.00 0.00 H new ATOM 1004 N THR A 66 17.241 -11.342 -15.058 1.00 0.00 N ATOM 1005 CA THR A 66 17.869 -12.349 -15.906 1.00 0.00 C ATOM 1006 C THR A 66 18.761 -11.787 -17.001 1.00 0.00 C ATOM 1007 O THR A 66 19.541 -12.517 -17.607 1.00 0.00 O ATOM 1008 CB THR A 66 16.838 -13.329 -16.476 1.00 0.00 C ATOM 1009 OG1 THR A 66 16.383 -12.834 -17.715 1.00 0.00 O ATOM 1010 CG2 THR A 66 15.628 -13.509 -15.568 1.00 0.00 C ATOM 0 H THR A 66 16.877 -10.542 -15.575 1.00 0.00 H new ATOM 0 HA THR A 66 18.540 -12.895 -15.243 1.00 0.00 H new ATOM 0 HB THR A 66 17.331 -14.296 -16.575 1.00 0.00 H new ATOM 0 HG1 THR A 66 15.723 -13.453 -18.092 1.00 0.00 H new ATOM 0 HG21 THR A 66 14.933 -14.214 -16.024 1.00 0.00 H new ATOM 0 HG22 THR A 66 15.953 -13.893 -14.601 1.00 0.00 H new ATOM 0 HG23 THR A 66 15.132 -12.549 -15.428 1.00 0.00 H new ATOM 1018 N ASN A 67 18.634 -10.480 -17.240 1.00 0.00 N ATOM 1019 CA ASN A 67 19.359 -9.748 -18.266 1.00 0.00 C ATOM 1020 C ASN A 67 19.061 -10.245 -19.682 1.00 0.00 C ATOM 1021 O ASN A 67 19.717 -9.822 -20.636 1.00 0.00 O ATOM 1022 CB ASN A 67 20.858 -9.714 -17.940 1.00 0.00 C ATOM 1023 CG ASN A 67 21.149 -8.945 -16.657 1.00 0.00 C ATOM 1024 OD1 ASN A 67 20.315 -8.190 -16.166 1.00 0.00 O ATOM 1025 ND2 ASN A 67 22.345 -9.132 -16.104 1.00 0.00 N ATOM 0 H ASN A 67 18.001 -9.887 -16.703 1.00 0.00 H new ATOM 0 HA ASN A 67 18.997 -8.720 -18.257 1.00 0.00 H new ATOM 0 HB2 ASN A 67 21.231 -10.734 -17.843 1.00 0.00 H new ATOM 0 HB3 ASN A 67 21.398 -9.255 -18.768 1.00 0.00 H new ATOM 0 HD21 ASN A 67 22.592 -8.640 -15.245 1.00 0.00 H new ATOM 0 HD22 ASN A 67 23.014 -9.767 -16.539 1.00 0.00 H new ATOM 1032 N LEU A 68 18.081 -11.139 -19.829 1.00 0.00 N ATOM 1033 CA LEU A 68 17.645 -11.621 -21.129 1.00 0.00 C ATOM 1034 C LEU A 68 16.679 -10.619 -21.757 1.00 0.00 C ATOM 1035 O LEU A 68 16.091 -9.790 -21.061 1.00 0.00 O ATOM 1036 CB LEU A 68 16.972 -12.990 -20.983 1.00 0.00 C ATOM 1037 CG LEU A 68 17.916 -14.047 -20.401 1.00 0.00 C ATOM 1038 CD1 LEU A 68 17.167 -15.366 -20.257 1.00 0.00 C ATOM 1039 CD2 LEU A 68 19.123 -14.259 -21.313 1.00 0.00 C ATOM 0 H LEU A 68 17.571 -11.546 -19.045 1.00 0.00 H new ATOM 0 HA LEU A 68 18.513 -11.727 -21.780 1.00 0.00 H new ATOM 0 HB2 LEU A 68 16.097 -12.895 -20.340 1.00 0.00 H new ATOM 0 HB3 LEU A 68 16.616 -13.322 -21.958 1.00 0.00 H new ATOM 0 HG LEU A 68 18.266 -13.700 -19.429 1.00 0.00 H new ATOM 0 HD11 LEU A 68 17.836 -16.121 -19.843 1.00 0.00 H new ATOM 0 HD12 LEU A 68 16.316 -15.230 -19.590 1.00 0.00 H new ATOM 0 HD13 LEU A 68 16.813 -15.692 -21.235 1.00 0.00 H new ATOM 0 HD21 LEU A 68 19.779 -15.014 -20.879 1.00 0.00 H new ATOM 0 HD22 LEU A 68 18.784 -14.593 -22.293 1.00 0.00 H new ATOM 0 HD23 LEU A 68 19.669 -13.321 -21.418 1.00 0.00 H new ATOM 1051 N SER A 69 16.516 -10.696 -23.078 1.00 0.00 N ATOM 1052 CA SER A 69 15.613 -9.810 -23.796 1.00 0.00 C ATOM 1053 C SER A 69 14.160 -10.163 -23.489 1.00 0.00 C ATOM 1054 O SER A 69 13.793 -11.341 -23.493 1.00 0.00 O ATOM 1055 CB SER A 69 15.871 -9.901 -25.299 1.00 0.00 C ATOM 1056 OG SER A 69 17.169 -9.433 -25.599 1.00 0.00 O ATOM 0 H SER A 69 17.003 -11.368 -23.671 1.00 0.00 H new ATOM 0 HA SER A 69 15.797 -8.787 -23.467 1.00 0.00 H new ATOM 0 HB2 SER A 69 15.762 -10.933 -25.632 1.00 0.00 H new ATOM 0 HB3 SER A 69 15.130 -9.312 -25.839 1.00 0.00 H new ATOM 0 HG SER A 69 17.270 -9.350 -26.570 1.00 0.00 H new ATOM 1062 N LYS A 70 13.338 -9.146 -23.226 1.00 0.00 N ATOM 1063 CA LYS A 70 11.916 -9.331 -22.987 1.00 0.00 C ATOM 1064 C LYS A 70 11.184 -9.588 -24.297 1.00 0.00 C ATOM 1065 O LYS A 70 11.730 -9.382 -25.378 1.00 0.00 O ATOM 1066 CB LYS A 70 11.333 -8.126 -22.247 1.00 0.00 C ATOM 1067 CG LYS A 70 11.923 -7.993 -20.840 1.00 0.00 C ATOM 1068 CD LYS A 70 11.066 -7.013 -20.036 1.00 0.00 C ATOM 1069 CE LYS A 70 11.589 -6.892 -18.608 1.00 0.00 C ATOM 1070 NZ LYS A 70 10.802 -5.907 -17.838 1.00 0.00 N ATOM 0 H LYS A 70 13.644 -8.174 -23.174 1.00 0.00 H new ATOM 0 HA LYS A 70 11.780 -10.207 -22.352 1.00 0.00 H new ATOM 0 HB2 LYS A 70 11.534 -7.217 -22.814 1.00 0.00 H new ATOM 0 HB3 LYS A 70 10.250 -8.228 -22.180 1.00 0.00 H new ATOM 0 HG2 LYS A 70 11.947 -8.965 -20.348 1.00 0.00 H new ATOM 0 HG3 LYS A 70 12.952 -7.638 -20.894 1.00 0.00 H new ATOM 0 HD2 LYS A 70 11.074 -6.035 -20.517 1.00 0.00 H new ATOM 0 HD3 LYS A 70 10.030 -7.353 -20.023 1.00 0.00 H new ATOM 0 HE2 LYS A 70 11.543 -7.864 -18.116 1.00 0.00 H new ATOM 0 HE3 LYS A 70 12.637 -6.592 -18.625 1.00 0.00 H new ATOM 0 HZ1 LYS A 70 11.177 -5.843 -16.870 1.00 0.00 H new ATOM 0 HZ2 LYS A 70 10.867 -4.976 -18.297 1.00 0.00 H new ATOM 0 HZ3 LYS A 70 9.807 -6.208 -17.804 1.00 0.00 H new ATOM 1084 N CYS A 71 9.934 -10.038 -24.194 1.00 0.00 N ATOM 1085 CA CYS A 71 9.114 -10.395 -25.339 1.00 0.00 C ATOM 1086 C CYS A 71 8.495 -9.194 -26.057 1.00 0.00 C ATOM 1087 O CYS A 71 7.525 -9.360 -26.792 1.00 0.00 O ATOM 1088 CB CYS A 71 8.038 -11.393 -24.910 1.00 0.00 C ATOM 1089 SG CYS A 71 7.051 -10.678 -23.570 1.00 0.00 S ATOM 0 H CYS A 71 9.461 -10.165 -23.299 1.00 0.00 H new ATOM 0 HA CYS A 71 9.778 -10.856 -26.070 1.00 0.00 H new ATOM 0 HB2 CYS A 71 7.397 -11.639 -25.757 1.00 0.00 H new ATOM 0 HB3 CYS A 71 8.501 -12.323 -24.579 1.00 0.00 H new ATOM 0 HG CYS A 71 6.134 -11.525 -23.206 1.00 0.00 H new ATOM 1095 N PHE A 72 9.025 -7.981 -25.872 1.00 0.00 N ATOM 1096 CA PHE A 72 8.457 -6.819 -26.540 1.00 0.00 C ATOM 1097 C PHE A 72 9.544 -5.734 -26.533 1.00 0.00 C ATOM 1098 O PHE A 72 10.591 -5.883 -25.902 1.00 0.00 O ATOM 1099 CB PHE A 72 7.242 -6.363 -25.729 1.00 0.00 C ATOM 1100 CG PHE A 72 7.539 -5.450 -24.568 1.00 0.00 C ATOM 1101 CD1 PHE A 72 7.284 -4.078 -24.701 1.00 0.00 C ATOM 1102 CD2 PHE A 72 8.053 -5.961 -23.368 1.00 0.00 C ATOM 1103 CE1 PHE A 72 7.536 -3.213 -23.629 1.00 0.00 C ATOM 1104 CE2 PHE A 72 8.305 -5.096 -22.295 1.00 0.00 C ATOM 1105 CZ PHE A 72 8.044 -3.724 -22.427 1.00 0.00 C ATOM 0 H PHE A 72 9.830 -7.785 -25.277 1.00 0.00 H new ATOM 0 HA PHE A 72 8.144 -7.031 -27.562 1.00 0.00 H new ATOM 0 HB2 PHE A 72 6.550 -5.854 -26.400 1.00 0.00 H new ATOM 0 HB3 PHE A 72 6.728 -7.247 -25.351 1.00 0.00 H new ATOM 0 HD1 PHE A 72 6.893 -3.688 -25.630 1.00 0.00 H new ATOM 0 HD2 PHE A 72 8.254 -7.018 -23.271 1.00 0.00 H new ATOM 0 HE1 PHE A 72 7.340 -2.156 -23.728 1.00 0.00 H new ATOM 0 HE2 PHE A 72 8.700 -5.485 -21.368 1.00 0.00 H new ATOM 0 HZ PHE A 72 8.235 -3.058 -21.598 1.00 0.00 H new ATOM 1115 N GLY A 73 9.283 -4.636 -27.246 1.00 0.00 N ATOM 1116 CA GLY A 73 10.232 -3.546 -27.404 1.00 0.00 C ATOM 1117 C GLY A 73 9.561 -2.244 -27.845 1.00 0.00 C ATOM 1118 O GLY A 73 8.337 -2.144 -27.892 1.00 0.00 O ATOM 0 H GLY A 73 8.399 -4.483 -27.731 1.00 0.00 H new ATOM 0 HA2 GLY A 73 10.752 -3.381 -26.460 1.00 0.00 H new ATOM 0 HA3 GLY A 73 10.986 -3.829 -28.138 1.00 0.00 H new ATOM 1122 N PHE A 74 10.397 -1.257 -28.169 1.00 0.00 N ATOM 1123 CA PHE A 74 10.008 0.103 -28.519 1.00 0.00 C ATOM 1124 C PHE A 74 10.740 0.700 -29.721 1.00 0.00 C ATOM 1125 O PHE A 74 11.924 0.424 -29.919 1.00 0.00 O ATOM 1126 CB PHE A 74 10.004 0.985 -27.265 1.00 0.00 C ATOM 1127 CG PHE A 74 10.228 2.460 -27.511 1.00 0.00 C ATOM 1128 CD1 PHE A 74 9.267 3.229 -28.185 1.00 0.00 C ATOM 1129 CD2 PHE A 74 11.418 3.055 -27.067 1.00 0.00 C ATOM 1130 CE1 PHE A 74 9.522 4.579 -28.464 1.00 0.00 C ATOM 1131 CE2 PHE A 74 11.678 4.398 -27.366 1.00 0.00 C ATOM 1132 CZ PHE A 74 10.733 5.162 -28.066 1.00 0.00 C ATOM 0 H PHE A 74 11.408 -1.393 -28.195 1.00 0.00 H new ATOM 0 HA PHE A 74 8.985 0.058 -28.893 1.00 0.00 H new ATOM 0 HB2 PHE A 74 9.048 0.860 -26.756 1.00 0.00 H new ATOM 0 HB3 PHE A 74 10.777 0.625 -26.586 1.00 0.00 H new ATOM 0 HD1 PHE A 74 8.332 2.781 -28.488 1.00 0.00 H new ATOM 0 HD2 PHE A 74 12.132 2.479 -26.496 1.00 0.00 H new ATOM 0 HE1 PHE A 74 8.785 5.170 -28.986 1.00 0.00 H new ATOM 0 HE2 PHE A 74 12.610 4.847 -27.056 1.00 0.00 H new ATOM 0 HZ PHE A 74 10.938 6.197 -28.298 1.00 0.00 H new ATOM 1142 N VAL A 75 10.047 1.520 -30.522 1.00 0.00 N ATOM 1143 CA VAL A 75 10.589 2.133 -31.735 1.00 0.00 C ATOM 1144 C VAL A 75 9.940 3.508 -31.914 1.00 0.00 C ATOM 1145 O VAL A 75 8.816 3.720 -31.464 1.00 0.00 O ATOM 1146 CB VAL A 75 10.287 1.224 -32.940 1.00 0.00 C ATOM 1147 CG1 VAL A 75 10.666 1.886 -34.264 1.00 0.00 C ATOM 1148 CG2 VAL A 75 11.043 -0.107 -32.853 1.00 0.00 C ATOM 0 H VAL A 75 9.077 1.779 -30.339 1.00 0.00 H new ATOM 0 HA VAL A 75 11.669 2.254 -31.658 1.00 0.00 H new ATOM 0 HB VAL A 75 9.212 1.046 -32.909 1.00 0.00 H new ATOM 0 HG11 VAL A 75 10.436 1.210 -35.088 1.00 0.00 H new ATOM 0 HG12 VAL A 75 10.100 2.810 -34.384 1.00 0.00 H new ATOM 0 HG13 VAL A 75 11.733 2.111 -34.266 1.00 0.00 H new ATOM 0 HG21 VAL A 75 10.803 -0.719 -33.722 1.00 0.00 H new ATOM 0 HG22 VAL A 75 12.116 0.085 -32.830 1.00 0.00 H new ATOM 0 HG23 VAL A 75 10.749 -0.634 -31.945 1.00 0.00 H new ATOM 1158 N SER A 76 10.628 4.450 -32.569 1.00 0.00 N ATOM 1159 CA SER A 76 10.081 5.785 -32.797 1.00 0.00 C ATOM 1160 C SER A 76 10.485 6.345 -34.162 1.00 0.00 C ATOM 1161 O SER A 76 11.574 6.058 -34.657 1.00 0.00 O ATOM 1162 CB SER A 76 10.528 6.724 -31.679 1.00 0.00 C ATOM 1163 OG SER A 76 11.932 6.877 -31.689 1.00 0.00 O ATOM 0 H SER A 76 11.564 4.309 -32.949 1.00 0.00 H new ATOM 0 HA SER A 76 8.994 5.707 -32.792 1.00 0.00 H new ATOM 0 HB2 SER A 76 10.050 7.696 -31.801 1.00 0.00 H new ATOM 0 HB3 SER A 76 10.207 6.329 -30.715 1.00 0.00 H new ATOM 0 HG SER A 76 12.200 7.483 -30.967 1.00 0.00 H new ATOM 1169 N TYR A 77 9.601 7.147 -34.767 1.00 0.00 N ATOM 1170 CA TYR A 77 9.802 7.739 -36.082 1.00 0.00 C ATOM 1171 C TYR A 77 9.943 9.257 -36.119 1.00 0.00 C ATOM 1172 O TYR A 77 9.527 9.941 -35.187 1.00 0.00 O ATOM 1173 CB TYR A 77 8.723 7.268 -37.053 1.00 0.00 C ATOM 1174 CG TYR A 77 8.860 5.824 -37.457 1.00 0.00 C ATOM 1175 CD1 TYR A 77 8.259 4.825 -36.678 1.00 0.00 C ATOM 1176 CD2 TYR A 77 9.589 5.482 -38.604 1.00 0.00 C ATOM 1177 CE1 TYR A 77 8.389 3.480 -37.043 1.00 0.00 C ATOM 1178 CE2 TYR A 77 9.723 4.141 -38.981 1.00 0.00 C ATOM 1179 CZ TYR A 77 9.124 3.136 -38.194 1.00 0.00 C ATOM 1180 OH TYR A 77 9.249 1.829 -38.539 1.00 0.00 O ATOM 0 H TYR A 77 8.710 7.404 -34.342 1.00 0.00 H new ATOM 0 HA TYR A 77 10.780 7.375 -36.397 1.00 0.00 H new ATOM 0 HB2 TYR A 77 7.745 7.417 -36.595 1.00 0.00 H new ATOM 0 HB3 TYR A 77 8.755 7.891 -37.947 1.00 0.00 H new ATOM 0 HD1 TYR A 77 7.696 5.093 -35.796 1.00 0.00 H new ATOM 0 HD2 TYR A 77 10.049 6.257 -39.199 1.00 0.00 H new ATOM 0 HE1 TYR A 77 7.927 2.709 -36.444 1.00 0.00 H new ATOM 0 HE2 TYR A 77 10.281 3.878 -39.868 1.00 0.00 H new ATOM 0 HH TYR A 77 10.079 1.702 -39.045 1.00 0.00 H new ATOM 1190 N ASP A 78 10.524 9.788 -37.198 1.00 0.00 N ATOM 1191 CA ASP A 78 10.624 11.228 -37.393 1.00 0.00 C ATOM 1192 C ASP A 78 9.319 11.862 -37.881 1.00 0.00 C ATOM 1193 O ASP A 78 9.161 13.078 -37.875 1.00 0.00 O ATOM 1194 CB ASP A 78 11.841 11.532 -38.274 1.00 0.00 C ATOM 1195 CG ASP A 78 11.935 12.985 -38.736 1.00 0.00 C ATOM 1196 OD1 ASP A 78 12.141 13.187 -39.957 1.00 0.00 O ATOM 1197 OD2 ASP A 78 11.806 13.880 -37.873 1.00 0.00 O ATOM 0 H ASP A 78 10.933 9.235 -37.951 1.00 0.00 H new ATOM 0 HA ASP A 78 10.786 11.706 -36.427 1.00 0.00 H new ATOM 0 HB2 ASP A 78 12.746 11.279 -37.722 1.00 0.00 H new ATOM 0 HB3 ASP A 78 11.811 10.885 -39.151 1.00 0.00 H new ATOM 1202 N ASN A 79 8.371 11.018 -38.304 1.00 0.00 N ATOM 1203 CA ASN A 79 7.048 11.456 -38.715 1.00 0.00 C ATOM 1204 C ASN A 79 6.021 10.337 -38.530 1.00 0.00 C ATOM 1205 O ASN A 79 6.367 9.162 -38.635 1.00 0.00 O ATOM 1206 CB ASN A 79 7.070 11.979 -40.158 1.00 0.00 C ATOM 1207 CG ASN A 79 7.886 11.112 -41.113 1.00 0.00 C ATOM 1208 OD1 ASN A 79 7.804 9.794 -40.975 1.00 0.00 O flip ATOM 1209 ND2 ASN A 79 8.586 11.632 -41.977 1.00 0.00 N flip ATOM 0 H ASN A 79 8.508 10.009 -38.368 1.00 0.00 H new ATOM 0 HA ASN A 79 6.745 12.284 -38.074 1.00 0.00 H new ATOM 0 HB2 ASN A 79 6.046 12.045 -40.527 1.00 0.00 H new ATOM 0 HB3 ASN A 79 7.477 12.990 -40.162 1.00 0.00 H new ATOM 0 HD21 ASN A 79 8.627 12.648 -42.057 1.00 0.00 H new ATOM 0 HD22 ASN A 79 9.126 11.048 -42.615 1.00 0.00 H new ATOM 1216 N PRO A 80 4.758 10.685 -38.264 1.00 0.00 N ATOM 1217 CA PRO A 80 3.703 9.726 -38.002 1.00 0.00 C ATOM 1218 C PRO A 80 3.327 8.924 -39.246 1.00 0.00 C ATOM 1219 O PRO A 80 2.764 7.839 -39.122 1.00 0.00 O ATOM 1220 CB PRO A 80 2.525 10.568 -37.506 1.00 0.00 C ATOM 1221 CG PRO A 80 2.741 11.913 -38.203 1.00 0.00 C ATOM 1222 CD PRO A 80 4.258 12.044 -38.185 1.00 0.00 C ATOM 0 HA PRO A 80 4.016 8.980 -37.272 1.00 0.00 H new ATOM 0 HB2 PRO A 80 1.568 10.122 -37.778 1.00 0.00 H new ATOM 0 HB3 PRO A 80 2.532 10.671 -36.421 1.00 0.00 H new ATOM 0 HG2 PRO A 80 2.344 11.914 -39.218 1.00 0.00 H new ATOM 0 HG3 PRO A 80 2.255 12.730 -37.670 1.00 0.00 H new ATOM 0 HD2 PRO A 80 4.611 12.643 -39.024 1.00 0.00 H new ATOM 0 HD3 PRO A 80 4.600 12.537 -37.275 1.00 0.00 H new ATOM 1230 N VAL A 81 3.626 9.425 -40.447 1.00 0.00 N ATOM 1231 CA VAL A 81 3.258 8.720 -41.670 1.00 0.00 C ATOM 1232 C VAL A 81 4.000 7.394 -41.796 1.00 0.00 C ATOM 1233 O VAL A 81 3.423 6.400 -42.240 1.00 0.00 O ATOM 1234 CB VAL A 81 3.481 9.639 -42.877 1.00 0.00 C ATOM 1235 CG1 VAL A 81 4.960 9.945 -43.114 1.00 0.00 C ATOM 1236 CG2 VAL A 81 2.904 8.996 -44.139 1.00 0.00 C ATOM 0 H VAL A 81 4.117 10.307 -40.595 1.00 0.00 H new ATOM 0 HA VAL A 81 2.199 8.465 -41.632 1.00 0.00 H new ATOM 0 HB VAL A 81 2.972 10.577 -42.656 1.00 0.00 H new ATOM 0 HG11 VAL A 81 5.062 10.599 -43.980 1.00 0.00 H new ATOM 0 HG12 VAL A 81 5.375 10.439 -42.235 1.00 0.00 H new ATOM 0 HG13 VAL A 81 5.499 9.015 -43.296 1.00 0.00 H new ATOM 0 HG21 VAL A 81 3.067 9.656 -44.991 1.00 0.00 H new ATOM 0 HG22 VAL A 81 3.398 8.042 -44.320 1.00 0.00 H new ATOM 0 HG23 VAL A 81 1.835 8.831 -44.007 1.00 0.00 H new ATOM 1246 N SER A 82 5.276 7.373 -41.401 1.00 0.00 N ATOM 1247 CA SER A 82 6.074 6.156 -41.408 1.00 0.00 C ATOM 1248 C SER A 82 5.683 5.249 -40.246 1.00 0.00 C ATOM 1249 O SER A 82 5.858 4.034 -40.320 1.00 0.00 O ATOM 1250 CB SER A 82 7.551 6.514 -41.280 1.00 0.00 C ATOM 1251 OG SER A 82 7.962 7.276 -42.394 1.00 0.00 O ATOM 0 H SER A 82 5.778 8.197 -41.070 1.00 0.00 H new ATOM 0 HA SER A 82 5.893 5.631 -42.346 1.00 0.00 H new ATOM 0 HB2 SER A 82 7.719 7.077 -40.362 1.00 0.00 H new ATOM 0 HB3 SER A 82 8.149 5.605 -41.210 1.00 0.00 H new ATOM 0 HG SER A 82 8.002 8.223 -42.146 1.00 0.00 H new ATOM 1257 N ALA A 83 5.152 5.836 -39.169 1.00 0.00 N ATOM 1258 CA ALA A 83 4.772 5.076 -37.991 1.00 0.00 C ATOM 1259 C ALA A 83 3.513 4.264 -38.258 1.00 0.00 C ATOM 1260 O ALA A 83 3.487 3.066 -37.986 1.00 0.00 O ATOM 1261 CB ALA A 83 4.545 6.038 -36.828 1.00 0.00 C ATOM 0 H ALA A 83 4.978 6.838 -39.096 1.00 0.00 H new ATOM 0 HA ALA A 83 5.573 4.381 -37.739 1.00 0.00 H new ATOM 0 HB1 ALA A 83 4.259 5.474 -35.940 1.00 0.00 H new ATOM 0 HB2 ALA A 83 5.463 6.590 -36.628 1.00 0.00 H new ATOM 0 HB3 ALA A 83 3.750 6.738 -37.085 1.00 0.00 H new ATOM 1267 N GLN A 84 2.466 4.898 -38.794 1.00 0.00 N ATOM 1268 CA GLN A 84 1.208 4.211 -39.029 1.00 0.00 C ATOM 1269 C GLN A 84 1.363 3.178 -40.145 1.00 0.00 C ATOM 1270 O GLN A 84 0.629 2.189 -40.170 1.00 0.00 O ATOM 1271 CB GLN A 84 0.117 5.234 -39.369 1.00 0.00 C ATOM 1272 CG GLN A 84 -0.051 6.264 -38.244 1.00 0.00 C ATOM 1273 CD GLN A 84 -0.274 5.620 -36.880 1.00 0.00 C ATOM 1274 OE1 GLN A 84 -1.021 4.654 -36.755 1.00 0.00 O ATOM 1275 NE2 GLN A 84 0.367 6.150 -35.842 1.00 0.00 N ATOM 0 H GLN A 84 2.471 5.880 -39.070 1.00 0.00 H new ATOM 0 HA GLN A 84 0.915 3.679 -38.124 1.00 0.00 H new ATOM 0 HB2 GLN A 84 0.371 5.745 -40.298 1.00 0.00 H new ATOM 0 HB3 GLN A 84 -0.828 4.718 -39.537 1.00 0.00 H new ATOM 0 HG2 GLN A 84 0.836 6.896 -38.201 1.00 0.00 H new ATOM 0 HG3 GLN A 84 -0.895 6.914 -38.476 1.00 0.00 H new ATOM 0 HE21 GLN A 84 0.981 6.953 -35.978 1.00 0.00 H new ATOM 0 HE22 GLN A 84 0.244 5.753 -34.910 1.00 0.00 H new ATOM 1284 N ALA A 85 2.311 3.391 -41.065 1.00 0.00 N ATOM 1285 CA ALA A 85 2.602 2.401 -42.089 1.00 0.00 C ATOM 1286 C ALA A 85 3.245 1.171 -41.454 1.00 0.00 C ATOM 1287 O ALA A 85 2.916 0.044 -41.813 1.00 0.00 O ATOM 1288 CB ALA A 85 3.557 3.000 -43.119 1.00 0.00 C ATOM 0 H ALA A 85 2.881 4.235 -41.115 1.00 0.00 H new ATOM 0 HA ALA A 85 1.673 2.108 -42.578 1.00 0.00 H new ATOM 0 HB1 ALA A 85 3.776 2.258 -43.887 1.00 0.00 H new ATOM 0 HB2 ALA A 85 3.095 3.873 -43.579 1.00 0.00 H new ATOM 0 HB3 ALA A 85 4.483 3.297 -42.627 1.00 0.00 H new ATOM 1294 N ALA A 86 4.165 1.392 -40.508 1.00 0.00 N ATOM 1295 CA ALA A 86 4.869 0.313 -39.846 1.00 0.00 C ATOM 1296 C ALA A 86 3.939 -0.523 -38.960 1.00 0.00 C ATOM 1297 O ALA A 86 4.209 -1.705 -38.745 1.00 0.00 O ATOM 1298 CB ALA A 86 5.996 0.910 -39.009 1.00 0.00 C ATOM 0 H ALA A 86 4.434 2.323 -40.188 1.00 0.00 H new ATOM 0 HA ALA A 86 5.271 -0.357 -40.606 1.00 0.00 H new ATOM 0 HB1 ALA A 86 6.537 0.110 -38.503 1.00 0.00 H new ATOM 0 HB2 ALA A 86 6.680 1.457 -39.657 1.00 0.00 H new ATOM 0 HB3 ALA A 86 5.577 1.590 -38.267 1.00 0.00 H new ATOM 1304 N ILE A 87 2.849 0.062 -38.446 1.00 0.00 N ATOM 1305 CA ILE A 87 1.884 -0.711 -37.674 1.00 0.00 C ATOM 1306 C ILE A 87 1.196 -1.700 -38.602 1.00 0.00 C ATOM 1307 O ILE A 87 1.150 -2.893 -38.315 1.00 0.00 O ATOM 1308 CB ILE A 87 0.839 0.190 -37.005 1.00 0.00 C ATOM 1309 CG1 ILE A 87 1.511 1.145 -36.010 1.00 0.00 C ATOM 1310 CG2 ILE A 87 -0.204 -0.685 -36.298 1.00 0.00 C ATOM 1311 CD1 ILE A 87 0.506 1.898 -35.138 1.00 0.00 C ATOM 0 H ILE A 87 2.621 1.051 -38.551 1.00 0.00 H new ATOM 0 HA ILE A 87 2.416 -1.238 -36.881 1.00 0.00 H new ATOM 0 HB ILE A 87 0.343 0.794 -37.765 1.00 0.00 H new ATOM 0 HG12 ILE A 87 2.187 0.578 -35.370 1.00 0.00 H new ATOM 0 HG13 ILE A 87 2.119 1.864 -36.558 1.00 0.00 H new ATOM 0 HG21 ILE A 87 -0.949 -0.049 -35.821 1.00 0.00 H new ATOM 0 HG22 ILE A 87 -0.692 -1.331 -37.028 1.00 0.00 H new ATOM 0 HG23 ILE A 87 0.287 -1.298 -35.542 1.00 0.00 H new ATOM 0 HD11 ILE A 87 1.040 2.558 -34.454 1.00 0.00 H new ATOM 0 HD12 ILE A 87 -0.154 2.490 -35.772 1.00 0.00 H new ATOM 0 HD13 ILE A 87 -0.085 1.184 -34.565 1.00 0.00 H new ATOM 1323 N GLN A 88 0.660 -1.208 -39.719 1.00 0.00 N ATOM 1324 CA GLN A 88 -0.048 -2.044 -40.674 1.00 0.00 C ATOM 1325 C GLN A 88 0.906 -3.010 -41.380 1.00 0.00 C ATOM 1326 O GLN A 88 0.454 -3.939 -42.045 1.00 0.00 O ATOM 1327 CB GLN A 88 -0.755 -1.152 -41.698 1.00 0.00 C ATOM 1328 CG GLN A 88 -1.779 -0.239 -41.016 1.00 0.00 C ATOM 1329 CD GLN A 88 -2.418 0.732 -41.999 1.00 0.00 C ATOM 1330 OE1 GLN A 88 -2.126 0.707 -43.194 1.00 0.00 O ATOM 1331 NE2 GLN A 88 -3.296 1.601 -41.507 1.00 0.00 N ATOM 0 H GLN A 88 0.707 -0.223 -39.982 1.00 0.00 H new ATOM 0 HA GLN A 88 -0.784 -2.642 -40.137 1.00 0.00 H new ATOM 0 HB2 GLN A 88 -0.019 -0.547 -42.228 1.00 0.00 H new ATOM 0 HB3 GLN A 88 -1.254 -1.772 -42.443 1.00 0.00 H new ATOM 0 HG2 GLN A 88 -2.555 -0.847 -40.551 1.00 0.00 H new ATOM 0 HG3 GLN A 88 -1.291 0.321 -40.218 1.00 0.00 H new ATOM 0 HE21 GLN A 88 -3.516 1.595 -40.511 1.00 0.00 H new ATOM 0 HE22 GLN A 88 -3.750 2.273 -42.126 1.00 0.00 H new ATOM 1340 N ALA A 89 2.219 -2.794 -41.240 1.00 0.00 N ATOM 1341 CA ALA A 89 3.222 -3.620 -41.890 1.00 0.00 C ATOM 1342 C ALA A 89 3.608 -4.837 -41.048 1.00 0.00 C ATOM 1343 O ALA A 89 3.944 -5.876 -41.615 1.00 0.00 O ATOM 1344 CB ALA A 89 4.460 -2.763 -42.152 1.00 0.00 C ATOM 0 H ALA A 89 2.607 -2.041 -40.672 1.00 0.00 H new ATOM 0 HA ALA A 89 2.802 -3.996 -42.823 1.00 0.00 H new ATOM 0 HB1 ALA A 89 5.224 -3.368 -42.640 1.00 0.00 H new ATOM 0 HB2 ALA A 89 4.193 -1.926 -42.797 1.00 0.00 H new ATOM 0 HB3 ALA A 89 4.847 -2.384 -41.206 1.00 0.00 H new ATOM 1350 N MET A 90 3.568 -4.734 -39.712 1.00 0.00 N ATOM 1351 CA MET A 90 3.978 -5.840 -38.855 1.00 0.00 C ATOM 1352 C MET A 90 2.949 -6.274 -37.820 1.00 0.00 C ATOM 1353 O MET A 90 3.133 -7.308 -37.181 1.00 0.00 O ATOM 1354 CB MET A 90 5.327 -5.535 -38.203 1.00 0.00 C ATOM 1355 CG MET A 90 6.430 -5.638 -39.256 1.00 0.00 C ATOM 1356 SD MET A 90 8.099 -5.765 -38.573 1.00 0.00 S ATOM 1357 CE MET A 90 7.939 -7.326 -37.655 1.00 0.00 C ATOM 0 H MET A 90 3.258 -3.901 -39.211 1.00 0.00 H new ATOM 0 HA MET A 90 4.074 -6.700 -39.518 1.00 0.00 H new ATOM 0 HB2 MET A 90 5.316 -4.536 -37.767 1.00 0.00 H new ATOM 0 HB3 MET A 90 5.518 -6.235 -37.390 1.00 0.00 H new ATOM 0 HG2 MET A 90 6.239 -6.510 -39.882 1.00 0.00 H new ATOM 0 HG3 MET A 90 6.381 -4.763 -39.904 1.00 0.00 H new ATOM 0 HE1 MET A 90 8.921 -7.787 -37.547 1.00 0.00 H new ATOM 0 HE2 MET A 90 7.522 -7.127 -36.668 1.00 0.00 H new ATOM 0 HE3 MET A 90 7.279 -8.002 -38.198 1.00 0.00 H new ATOM 1367 N ASN A 91 1.864 -5.523 -37.632 1.00 0.00 N ATOM 1368 CA ASN A 91 0.792 -5.980 -36.764 1.00 0.00 C ATOM 1369 C ASN A 91 0.204 -7.256 -37.372 1.00 0.00 C ATOM 1370 O ASN A 91 -0.197 -7.262 -38.534 1.00 0.00 O ATOM 1371 CB ASN A 91 -0.264 -4.877 -36.625 1.00 0.00 C ATOM 1372 CG ASN A 91 -1.324 -5.212 -35.584 1.00 0.00 C ATOM 1373 OD1 ASN A 91 -1.153 -6.124 -34.778 1.00 0.00 O ATOM 1374 ND2 ASN A 91 -2.426 -4.469 -35.595 1.00 0.00 N ATOM 0 H ASN A 91 1.710 -4.612 -38.063 1.00 0.00 H new ATOM 0 HA ASN A 91 1.163 -6.202 -35.763 1.00 0.00 H new ATOM 0 HB2 ASN A 91 0.226 -3.942 -36.352 1.00 0.00 H new ATOM 0 HB3 ASN A 91 -0.745 -4.715 -37.590 1.00 0.00 H new ATOM 0 HD21 ASN A 91 -3.168 -4.647 -34.918 1.00 0.00 H new ATOM 0 HD22 ASN A 91 -2.530 -3.721 -36.281 1.00 0.00 H new ATOM 1381 N GLY A 92 0.155 -8.331 -36.580 1.00 0.00 N ATOM 1382 CA GLY A 92 -0.330 -9.623 -37.041 1.00 0.00 C ATOM 1383 C GLY A 92 0.753 -10.451 -37.735 1.00 0.00 C ATOM 1384 O GLY A 92 0.455 -11.533 -38.241 1.00 0.00 O ATOM 0 H GLY A 92 0.451 -8.324 -35.604 1.00 0.00 H new ATOM 0 HA2 GLY A 92 -0.720 -10.183 -36.191 1.00 0.00 H new ATOM 0 HA3 GLY A 92 -1.160 -9.469 -37.730 1.00 0.00 H new ATOM 1388 N PHE A 93 2.001 -9.970 -37.775 1.00 0.00 N ATOM 1389 CA PHE A 93 3.095 -10.698 -38.410 1.00 0.00 C ATOM 1390 C PHE A 93 3.376 -12.017 -37.699 1.00 0.00 C ATOM 1391 O PHE A 93 3.713 -12.015 -36.515 1.00 0.00 O ATOM 1392 CB PHE A 93 4.346 -9.815 -38.474 1.00 0.00 C ATOM 1393 CG PHE A 93 5.588 -10.489 -39.013 1.00 0.00 C ATOM 1394 CD1 PHE A 93 5.907 -10.351 -40.371 1.00 0.00 C ATOM 1395 CD2 PHE A 93 6.429 -11.232 -38.170 1.00 0.00 C ATOM 1396 CE1 PHE A 93 7.069 -10.942 -40.888 1.00 0.00 C ATOM 1397 CE2 PHE A 93 7.594 -11.819 -38.689 1.00 0.00 C ATOM 1398 CZ PHE A 93 7.912 -11.677 -40.047 1.00 0.00 C ATOM 0 H PHE A 93 2.275 -9.074 -37.371 1.00 0.00 H new ATOM 0 HA PHE A 93 2.798 -10.947 -39.429 1.00 0.00 H new ATOM 0 HB2 PHE A 93 4.126 -8.947 -39.095 1.00 0.00 H new ATOM 0 HB3 PHE A 93 4.560 -9.444 -37.472 1.00 0.00 H new ATOM 0 HD1 PHE A 93 5.255 -9.787 -41.022 1.00 0.00 H new ATOM 0 HD2 PHE A 93 6.181 -11.352 -37.126 1.00 0.00 H new ATOM 0 HE1 PHE A 93 7.313 -10.830 -41.934 1.00 0.00 H new ATOM 0 HE2 PHE A 93 8.248 -12.382 -38.040 1.00 0.00 H new ATOM 0 HZ PHE A 93 8.806 -12.134 -40.444 1.00 0.00 H new ATOM 1408 N GLN A 94 3.244 -13.147 -38.399 1.00 0.00 N ATOM 1409 CA GLN A 94 3.439 -14.440 -37.758 1.00 0.00 C ATOM 1410 C GLN A 94 4.920 -14.730 -37.536 1.00 0.00 C ATOM 1411 O GLN A 94 5.731 -14.616 -38.455 1.00 0.00 O ATOM 1412 CB GLN A 94 2.774 -15.550 -38.572 1.00 0.00 C ATOM 1413 CG GLN A 94 2.989 -16.897 -37.881 1.00 0.00 C ATOM 1414 CD GLN A 94 2.205 -18.027 -38.537 1.00 0.00 C ATOM 1415 OE1 GLN A 94 1.476 -17.823 -39.502 1.00 0.00 O ATOM 1416 NE2 GLN A 94 2.353 -19.239 -38.005 1.00 0.00 N ATOM 0 H GLN A 94 3.007 -13.189 -39.390 1.00 0.00 H new ATOM 0 HA GLN A 94 2.963 -14.406 -36.778 1.00 0.00 H new ATOM 0 HB2 GLN A 94 1.708 -15.349 -38.675 1.00 0.00 H new ATOM 0 HB3 GLN A 94 3.192 -15.576 -39.578 1.00 0.00 H new ATOM 0 HG2 GLN A 94 4.051 -17.142 -37.894 1.00 0.00 H new ATOM 0 HG3 GLN A 94 2.694 -16.815 -36.835 1.00 0.00 H new ATOM 0 HE21 GLN A 94 2.968 -19.372 -37.202 1.00 0.00 H new ATOM 0 HE22 GLN A 94 1.851 -20.034 -38.400 1.00 0.00 H new ATOM 1425 N ILE A 95 5.264 -15.109 -36.303 1.00 0.00 N ATOM 1426 CA ILE A 95 6.613 -15.518 -35.944 1.00 0.00 C ATOM 1427 C ILE A 95 6.497 -16.630 -34.904 1.00 0.00 C ATOM 1428 O ILE A 95 5.927 -16.438 -33.832 1.00 0.00 O ATOM 1429 CB ILE A 95 7.403 -14.295 -35.462 1.00 0.00 C ATOM 1430 CG1 ILE A 95 8.872 -14.667 -35.231 1.00 0.00 C ATOM 1431 CG2 ILE A 95 6.805 -13.689 -34.191 1.00 0.00 C ATOM 1432 CD1 ILE A 95 9.718 -13.407 -35.051 1.00 0.00 C ATOM 0 H ILE A 95 4.606 -15.139 -35.524 1.00 0.00 H new ATOM 0 HA ILE A 95 7.167 -15.916 -36.794 1.00 0.00 H new ATOM 0 HB ILE A 95 7.342 -13.539 -36.245 1.00 0.00 H new ATOM 0 HG12 ILE A 95 8.959 -15.300 -34.348 1.00 0.00 H new ATOM 0 HG13 ILE A 95 9.245 -15.245 -36.076 1.00 0.00 H new ATOM 0 HG21 ILE A 95 7.397 -12.826 -33.886 1.00 0.00 H new ATOM 0 HG22 ILE A 95 5.779 -13.376 -34.385 1.00 0.00 H new ATOM 0 HG23 ILE A 95 6.812 -14.433 -33.395 1.00 0.00 H new ATOM 0 HD11 ILE A 95 10.759 -13.688 -34.888 1.00 0.00 H new ATOM 0 HD12 ILE A 95 9.645 -12.789 -35.946 1.00 0.00 H new ATOM 0 HD13 ILE A 95 9.355 -12.845 -34.191 1.00 0.00 H new ATOM 1444 N GLY A 96 7.034 -17.811 -35.211 1.00 0.00 N ATOM 1445 CA GLY A 96 6.839 -18.960 -34.345 1.00 0.00 C ATOM 1446 C GLY A 96 5.354 -19.320 -34.271 1.00 0.00 C ATOM 1447 O GLY A 96 4.638 -19.236 -35.270 1.00 0.00 O ATOM 0 H GLY A 96 7.598 -17.990 -36.042 1.00 0.00 H new ATOM 0 HA2 GLY A 96 7.408 -19.810 -34.722 1.00 0.00 H new ATOM 0 HA3 GLY A 96 7.218 -18.741 -33.347 1.00 0.00 H new ATOM 1451 N MET A 97 4.895 -19.722 -33.084 1.00 0.00 N ATOM 1452 CA MET A 97 3.519 -20.145 -32.856 1.00 0.00 C ATOM 1453 C MET A 97 2.579 -18.985 -32.507 1.00 0.00 C ATOM 1454 O MET A 97 1.453 -19.229 -32.067 1.00 0.00 O ATOM 1455 CB MET A 97 3.495 -21.214 -31.761 1.00 0.00 C ATOM 1456 CG MET A 97 4.305 -22.440 -32.187 1.00 0.00 C ATOM 1457 SD MET A 97 4.339 -23.783 -30.970 1.00 0.00 S ATOM 1458 CE MET A 97 5.288 -22.970 -29.658 1.00 0.00 C ATOM 0 H MET A 97 5.477 -19.762 -32.248 1.00 0.00 H new ATOM 0 HA MET A 97 3.144 -20.559 -33.792 1.00 0.00 H new ATOM 0 HB2 MET A 97 3.903 -20.805 -30.837 1.00 0.00 H new ATOM 0 HB3 MET A 97 2.466 -21.506 -31.553 1.00 0.00 H new ATOM 0 HG2 MET A 97 3.894 -22.824 -33.121 1.00 0.00 H new ATOM 0 HG3 MET A 97 5.329 -22.129 -32.394 1.00 0.00 H new ATOM 0 HE1 MET A 97 5.637 -23.717 -28.945 1.00 0.00 H new ATOM 0 HE2 MET A 97 6.145 -22.456 -30.094 1.00 0.00 H new ATOM 0 HE3 MET A 97 4.654 -22.247 -29.145 1.00 0.00 H new ATOM 1468 N LYS A 98 3.006 -17.730 -32.689 1.00 0.00 N ATOM 1469 CA LYS A 98 2.195 -16.569 -32.328 1.00 0.00 C ATOM 1470 C LYS A 98 2.420 -15.423 -33.319 1.00 0.00 C ATOM 1471 O LYS A 98 3.382 -15.439 -34.080 1.00 0.00 O ATOM 1472 CB LYS A 98 2.536 -16.173 -30.882 1.00 0.00 C ATOM 1473 CG LYS A 98 1.523 -15.192 -30.285 1.00 0.00 C ATOM 1474 CD LYS A 98 1.794 -15.027 -28.785 1.00 0.00 C ATOM 1475 CE LYS A 98 0.761 -14.114 -28.121 1.00 0.00 C ATOM 1476 NZ LYS A 98 -0.598 -14.690 -28.207 1.00 0.00 N ATOM 0 H LYS A 98 3.915 -17.495 -33.087 1.00 0.00 H new ATOM 0 HA LYS A 98 1.134 -16.812 -32.381 1.00 0.00 H new ATOM 0 HB2 LYS A 98 2.576 -17.070 -30.264 1.00 0.00 H new ATOM 0 HB3 LYS A 98 3.529 -15.724 -30.857 1.00 0.00 H new ATOM 0 HG2 LYS A 98 1.596 -14.227 -30.787 1.00 0.00 H new ATOM 0 HG3 LYS A 98 0.509 -15.558 -30.444 1.00 0.00 H new ATOM 0 HD2 LYS A 98 1.779 -16.004 -28.303 1.00 0.00 H new ATOM 0 HD3 LYS A 98 2.792 -14.614 -28.639 1.00 0.00 H new ATOM 0 HE2 LYS A 98 1.028 -13.960 -27.075 1.00 0.00 H new ATOM 0 HE3 LYS A 98 0.775 -13.136 -28.601 1.00 0.00 H new ATOM 0 HZ1 LYS A 98 -1.228 -14.195 -27.544 1.00 0.00 H new ATOM 0 HZ2 LYS A 98 -0.961 -14.581 -29.176 1.00 0.00 H new ATOM 0 HZ3 LYS A 98 -0.563 -15.700 -27.962 1.00 0.00 H new ATOM 1490 N ARG A 99 1.531 -14.425 -33.313 1.00 0.00 N ATOM 1491 CA ARG A 99 1.643 -13.259 -34.185 1.00 0.00 C ATOM 1492 C ARG A 99 2.060 -12.029 -33.392 1.00 0.00 C ATOM 1493 O ARG A 99 1.605 -11.850 -32.265 1.00 0.00 O ATOM 1494 CB ARG A 99 0.321 -13.025 -34.913 1.00 0.00 C ATOM 1495 CG ARG A 99 0.002 -14.185 -35.858 1.00 0.00 C ATOM 1496 CD ARG A 99 -1.328 -13.921 -36.567 1.00 0.00 C ATOM 1497 NE ARG A 99 -1.632 -14.988 -37.524 1.00 0.00 N ATOM 1498 CZ ARG A 99 -1.307 -14.965 -38.821 1.00 0.00 C ATOM 1499 NH1 ARG A 99 -0.651 -13.931 -39.342 1.00 0.00 N ATOM 1500 NH2 ARG A 99 -1.639 -15.983 -39.605 1.00 0.00 N ATOM 0 H ARG A 99 0.714 -14.406 -32.702 1.00 0.00 H new ATOM 0 HA ARG A 99 2.417 -13.448 -34.928 1.00 0.00 H new ATOM 0 HB2 ARG A 99 -0.483 -12.912 -34.186 1.00 0.00 H new ATOM 0 HB3 ARG A 99 0.373 -12.095 -35.478 1.00 0.00 H new ATOM 0 HG2 ARG A 99 0.800 -14.299 -36.592 1.00 0.00 H new ATOM 0 HG3 ARG A 99 -0.052 -15.119 -35.298 1.00 0.00 H new ATOM 0 HD2 ARG A 99 -2.129 -13.848 -35.831 1.00 0.00 H new ATOM 0 HD3 ARG A 99 -1.284 -12.963 -37.086 1.00 0.00 H new ATOM 0 HE ARG A 99 -2.128 -15.808 -37.175 1.00 0.00 H new ATOM 0 HH11 ARG A 99 -0.390 -13.142 -38.750 1.00 0.00 H new ATOM 0 HH12 ARG A 99 -0.410 -13.927 -40.333 1.00 0.00 H new ATOM 0 HH21 ARG A 99 -2.142 -16.782 -39.218 1.00 0.00 H new ATOM 0 HH22 ARG A 99 -1.392 -15.967 -40.594 1.00 0.00 H new ATOM 1514 N LEU A 100 2.914 -11.184 -33.970 1.00 0.00 N ATOM 1515 CA LEU A 100 3.353 -9.948 -33.338 1.00 0.00 C ATOM 1516 C LEU A 100 2.202 -8.958 -33.190 1.00 0.00 C ATOM 1517 O LEU A 100 1.364 -8.832 -34.082 1.00 0.00 O ATOM 1518 CB LEU A 100 4.470 -9.301 -34.162 1.00 0.00 C ATOM 1519 CG LEU A 100 5.729 -10.170 -34.248 1.00 0.00 C ATOM 1520 CD1 LEU A 100 6.786 -9.441 -35.073 1.00 0.00 C ATOM 1521 CD2 LEU A 100 6.299 -10.429 -32.855 1.00 0.00 C ATOM 0 H LEU A 100 3.320 -11.342 -34.892 1.00 0.00 H new ATOM 0 HA LEU A 100 3.724 -10.201 -32.345 1.00 0.00 H new ATOM 0 HB2 LEU A 100 4.103 -9.102 -35.169 1.00 0.00 H new ATOM 0 HB3 LEU A 100 4.729 -8.338 -33.721 1.00 0.00 H new ATOM 0 HG LEU A 100 5.464 -11.120 -34.712 1.00 0.00 H new ATOM 0 HD11 LEU A 100 7.684 -10.055 -35.138 1.00 0.00 H new ATOM 0 HD12 LEU A 100 6.401 -9.255 -36.076 1.00 0.00 H new ATOM 0 HD13 LEU A 100 7.029 -8.492 -34.596 1.00 0.00 H new ATOM 0 HD21 LEU A 100 7.193 -11.048 -32.937 1.00 0.00 H new ATOM 0 HD22 LEU A 100 6.557 -9.480 -32.385 1.00 0.00 H new ATOM 0 HD23 LEU A 100 5.555 -10.945 -32.248 1.00 0.00 H new ATOM 1533 N LYS A 101 2.175 -8.256 -32.053 1.00 0.00 N ATOM 1534 CA LYS A 101 1.266 -7.140 -31.840 1.00 0.00 C ATOM 1535 C LYS A 101 2.051 -5.847 -32.022 1.00 0.00 C ATOM 1536 O LYS A 101 3.202 -5.762 -31.601 1.00 0.00 O ATOM 1537 CB LYS A 101 0.639 -7.252 -30.448 1.00 0.00 C ATOM 1538 CG LYS A 101 -0.269 -6.059 -30.124 1.00 0.00 C ATOM 1539 CD LYS A 101 -0.658 -6.042 -28.641 1.00 0.00 C ATOM 1540 CE LYS A 101 -1.406 -7.304 -28.211 1.00 0.00 C ATOM 1541 NZ LYS A 101 -2.700 -7.438 -28.904 1.00 0.00 N ATOM 0 H LYS A 101 2.785 -8.450 -31.259 1.00 0.00 H new ATOM 0 HA LYS A 101 0.448 -7.150 -32.561 1.00 0.00 H new ATOM 0 HB2 LYS A 101 0.061 -8.174 -30.385 1.00 0.00 H new ATOM 0 HB3 LYS A 101 1.429 -7.319 -29.700 1.00 0.00 H new ATOM 0 HG2 LYS A 101 0.242 -5.131 -30.379 1.00 0.00 H new ATOM 0 HG3 LYS A 101 -1.169 -6.107 -30.738 1.00 0.00 H new ATOM 0 HD2 LYS A 101 0.242 -5.934 -28.035 1.00 0.00 H new ATOM 0 HD3 LYS A 101 -1.282 -5.170 -28.444 1.00 0.00 H new ATOM 0 HE2 LYS A 101 -0.791 -8.179 -28.418 1.00 0.00 H new ATOM 0 HE3 LYS A 101 -1.572 -7.279 -27.134 1.00 0.00 H new ATOM 0 HZ1 LYS A 101 -3.206 -8.269 -28.536 1.00 0.00 H new ATOM 0 HZ2 LYS A 101 -3.271 -6.584 -28.741 1.00 0.00 H new ATOM 0 HZ3 LYS A 101 -2.537 -7.556 -29.924 1.00 0.00 H new ATOM 1555 N VAL A 102 1.437 -4.839 -32.639 1.00 0.00 N ATOM 1556 CA VAL A 102 2.043 -3.523 -32.810 1.00 0.00 C ATOM 1557 C VAL A 102 1.027 -2.445 -32.442 1.00 0.00 C ATOM 1558 O VAL A 102 -0.137 -2.555 -32.822 1.00 0.00 O ATOM 1559 CB VAL A 102 2.592 -3.352 -34.237 1.00 0.00 C ATOM 1560 CG1 VAL A 102 3.350 -2.037 -34.399 1.00 0.00 C ATOM 1561 CG2 VAL A 102 3.540 -4.497 -34.606 1.00 0.00 C ATOM 0 H VAL A 102 0.500 -4.914 -33.036 1.00 0.00 H new ATOM 0 HA VAL A 102 2.896 -3.423 -32.139 1.00 0.00 H new ATOM 0 HB VAL A 102 1.726 -3.355 -34.899 1.00 0.00 H new ATOM 0 HG11 VAL A 102 3.722 -1.955 -35.420 1.00 0.00 H new ATOM 0 HG12 VAL A 102 2.681 -1.203 -34.188 1.00 0.00 H new ATOM 0 HG13 VAL A 102 4.190 -2.013 -33.704 1.00 0.00 H new ATOM 0 HG21 VAL A 102 3.912 -4.349 -35.620 1.00 0.00 H new ATOM 0 HG22 VAL A 102 4.379 -4.513 -33.910 1.00 0.00 H new ATOM 0 HG23 VAL A 102 3.005 -5.445 -34.551 1.00 0.00 H new ATOM 1571 N GLN A 103 1.449 -1.408 -31.709 1.00 0.00 N ATOM 1572 CA GLN A 103 0.515 -0.413 -31.199 1.00 0.00 C ATOM 1573 C GLN A 103 1.184 0.949 -31.027 1.00 0.00 C ATOM 1574 O GLN A 103 2.405 1.047 -30.961 1.00 0.00 O ATOM 1575 CB GLN A 103 -0.057 -0.928 -29.874 1.00 0.00 C ATOM 1576 CG GLN A 103 -1.203 -0.055 -29.357 1.00 0.00 C ATOM 1577 CD GLN A 103 -2.019 -0.773 -28.287 1.00 0.00 C ATOM 1578 OE1 GLN A 103 -1.399 -1.690 -27.550 1.00 0.00 O flip ATOM 1579 NE2 GLN A 103 -3.204 -0.502 -28.121 1.00 0.00 N flip ATOM 0 H GLN A 103 2.424 -1.242 -31.460 1.00 0.00 H new ATOM 0 HA GLN A 103 -0.292 -0.267 -31.917 1.00 0.00 H new ATOM 0 HB2 GLN A 103 -0.413 -1.950 -30.007 1.00 0.00 H new ATOM 0 HB3 GLN A 103 0.736 -0.962 -29.127 1.00 0.00 H new ATOM 0 HG2 GLN A 103 -0.799 0.871 -28.947 1.00 0.00 H new ATOM 0 HG3 GLN A 103 -1.853 0.221 -30.187 1.00 0.00 H new ATOM 0 HE21 GLN A 103 -3.651 0.207 -28.703 1.00 0.00 H new ATOM 0 HE22 GLN A 103 -3.742 -0.985 -27.401 1.00 0.00 H new ATOM 1588 N LEU A 104 0.375 2.012 -30.956 1.00 0.00 N ATOM 1589 CA LEU A 104 0.865 3.361 -30.719 1.00 0.00 C ATOM 1590 C LEU A 104 1.139 3.577 -29.227 1.00 0.00 C ATOM 1591 O LEU A 104 0.431 3.034 -28.379 1.00 0.00 O ATOM 1592 CB LEU A 104 -0.192 4.351 -31.227 1.00 0.00 C ATOM 1593 CG LEU A 104 0.400 5.494 -32.060 1.00 0.00 C ATOM 1594 CD1 LEU A 104 -0.744 6.268 -32.712 1.00 0.00 C ATOM 1595 CD2 LEU A 104 1.202 6.464 -31.195 1.00 0.00 C ATOM 0 H LEU A 104 -0.638 1.954 -31.062 1.00 0.00 H new ATOM 0 HA LEU A 104 1.803 3.518 -31.251 1.00 0.00 H new ATOM 0 HB2 LEU A 104 -0.924 3.813 -31.829 1.00 0.00 H new ATOM 0 HB3 LEU A 104 -0.727 4.771 -30.375 1.00 0.00 H new ATOM 0 HG LEU A 104 1.066 5.061 -32.806 1.00 0.00 H new ATOM 0 HD11 LEU A 104 -0.337 7.085 -33.308 1.00 0.00 H new ATOM 0 HD12 LEU A 104 -1.316 5.599 -33.355 1.00 0.00 H new ATOM 0 HD13 LEU A 104 -1.396 6.673 -31.939 1.00 0.00 H new ATOM 0 HD21 LEU A 104 1.606 7.260 -31.820 1.00 0.00 H new ATOM 0 HD22 LEU A 104 0.552 6.895 -30.433 1.00 0.00 H new ATOM 0 HD23 LEU A 104 2.021 5.930 -30.713 1.00 0.00 H new ATOM 1607 N LYS A 105 2.166 4.370 -28.903 1.00 0.00 N ATOM 1608 CA LYS A 105 2.461 4.765 -27.532 1.00 0.00 C ATOM 1609 C LYS A 105 1.335 5.656 -27.000 1.00 0.00 C ATOM 1610 O LYS A 105 0.587 6.244 -27.783 1.00 0.00 O ATOM 1611 CB LYS A 105 3.797 5.516 -27.506 1.00 0.00 C ATOM 1612 CG LYS A 105 4.236 5.865 -26.077 1.00 0.00 C ATOM 1613 CD LYS A 105 5.596 6.559 -26.056 1.00 0.00 C ATOM 1614 CE LYS A 105 5.488 7.964 -26.653 1.00 0.00 C ATOM 1615 NZ LYS A 105 6.777 8.677 -26.565 1.00 0.00 N ATOM 0 H LYS A 105 2.815 4.754 -29.590 1.00 0.00 H new ATOM 0 HA LYS A 105 2.534 3.882 -26.896 1.00 0.00 H new ATOM 0 HB2 LYS A 105 4.565 4.906 -27.982 1.00 0.00 H new ATOM 0 HB3 LYS A 105 3.709 6.431 -28.091 1.00 0.00 H new ATOM 0 HG2 LYS A 105 3.490 6.512 -25.615 1.00 0.00 H new ATOM 0 HG3 LYS A 105 4.283 4.955 -25.479 1.00 0.00 H new ATOM 0 HD2 LYS A 105 5.965 6.620 -25.032 1.00 0.00 H new ATOM 0 HD3 LYS A 105 6.320 5.972 -26.621 1.00 0.00 H new ATOM 0 HE2 LYS A 105 5.176 7.897 -27.695 1.00 0.00 H new ATOM 0 HE3 LYS A 105 4.719 8.529 -26.126 1.00 0.00 H new ATOM 0 HZ1 LYS A 105 6.677 9.627 -26.976 1.00 0.00 H new ATOM 0 HZ2 LYS A 105 7.061 8.760 -25.568 1.00 0.00 H new ATOM 0 HZ3 LYS A 105 7.503 8.148 -27.089 1.00 0.00 H new