USER MOD reduce.3.24.130724 H: found=0, std=0, add=640, rem=0, adj=19 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 79 ASN :FLIP amide:sc= 0.526 F(o=0.43!,f=1.1) USER MOD Set 1.2: A 82 SER OG : rot 101:sc= 0.587 USER MOD Single : A 30 ASN : amide:sc= -0.39 K(o=-0.39,f=-1.5) USER MOD Single : A 34 TYR OH : rot -140:sc= 0.117 USER MOD Single : A 35 HIS : no HE2:sc= -0.107 K(o=-0.11,f=-4.6!) USER MOD Single : A 38 GLN : amide:sc= 0 X(o=0,f=-0.5) USER MOD Single : A 43 GLN : amide:sc= -0.219 K(o=-0.22,f=-2) USER MOD Single : A 47 GLN : amide:sc= -0.13 K(o=-0.13,f=-1.2) USER MOD Single : A 48 MET CE :methyl 169:sc= 0 (180deg=-0.118) USER MOD Single : A 50 MET CE :methyl -179:sc= -0.131 (180deg=-0.133) USER MOD Single : A 54 ASN : amide:sc= -0.37 X(o=-0.37,f=0) USER MOD Single : A 57 SER OG : rot 180:sc= 0 USER MOD Single : A 59 LYS NZ :NH3+ -169:sc= -0.0415 (180deg=-0.183) USER MOD Single : A 64 LYS NZ :NH3+ -170:sc=-0.00889 (180deg=-0.147) USER MOD Single : A 65 GLN : amide:sc= 0.902 K(o=0.9,f=-0.026) USER MOD Single : A 66 THR OG1 : rot 180:sc= 0.106 USER MOD Single : A 67 ASN : amide:sc= -0.243 K(o=-0.24,f=-1.1) USER MOD Single : A 69 SER OG : rot 180:sc= 0.234 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 76 SER OG : rot 32:sc= 0.636 USER MOD Single : A 77 TYR OH : rot -149:sc= 0.473 USER MOD Single : A 84 GLN :FLIP amide:sc= -0.552 F(o=-1.3,f=-0.55) USER MOD Single : A 88 GLN : amide:sc= 0 K(o=0,f=-0.89) USER MOD Single : A 90 MET CE :methyl -160:sc= -0.0244 (180deg=-1.17) USER MOD Single : A 91 ASN : amide:sc= 0 K(o=0,f=-1.2) USER MOD Single : A 94 GLN : amide:sc= -0.853 K(o=-0.85,f=-2.4) USER MOD Single : A 97 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Single : A 98 LYS NZ :NH3+ -113:sc= 0.211 (180deg=-0.161) USER MOD Single : A 101 LYS NZ :NH3+ -177:sc= 0 (180deg=-0.00998) USER MOD Single : A 103 GLN : amide:sc= 0.91 K(o=0.91,f=0) USER MOD Single : A 105 LYS NZ :NH3+ -173:sc= 1.04 (180deg=0.988) USER MOD ----------------------------------------------------------------- ATOM 344 N GLU A 24 12.667 10.393 -29.170 1.00 0.00 N ATOM 345 CA GLU A 24 11.450 10.294 -29.959 1.00 0.00 C ATOM 346 C GLU A 24 11.243 11.473 -30.900 1.00 0.00 C ATOM 347 O GLU A 24 11.875 12.522 -30.765 1.00 0.00 O ATOM 348 CB GLU A 24 10.245 10.178 -29.030 1.00 0.00 C ATOM 349 CG GLU A 24 10.325 8.907 -28.193 1.00 0.00 C ATOM 350 CD GLU A 24 9.026 8.646 -27.433 1.00 0.00 C ATOM 351 OE1 GLU A 24 8.128 9.515 -27.472 1.00 0.00 O ATOM 352 OE2 GLU A 24 8.937 7.566 -26.809 1.00 0.00 O ATOM 0 HA GLU A 24 11.553 9.403 -30.579 1.00 0.00 H new ATOM 0 HB2 GLU A 24 10.201 11.048 -28.375 1.00 0.00 H new ATOM 0 HB3 GLU A 24 9.327 10.174 -29.617 1.00 0.00 H new ATOM 0 HG2 GLU A 24 10.544 8.058 -28.841 1.00 0.00 H new ATOM 0 HG3 GLU A 24 11.150 8.989 -27.485 1.00 0.00 H new ATOM 359 N GLY A 25 10.336 11.277 -31.861 1.00 0.00 N ATOM 360 CA GLY A 25 9.910 12.308 -32.793 1.00 0.00 C ATOM 361 C GLY A 25 8.710 13.073 -32.236 1.00 0.00 C ATOM 362 O GLY A 25 8.563 13.184 -31.016 1.00 0.00 O ATOM 0 H GLY A 25 9.873 10.380 -32.010 1.00 0.00 H new ATOM 0 HA2 GLY A 25 10.733 12.998 -32.981 1.00 0.00 H new ATOM 0 HA3 GLY A 25 9.648 11.856 -33.749 1.00 0.00 H new ATOM 366 N PRO A 26 7.846 13.606 -33.112 1.00 0.00 N ATOM 367 CA PRO A 26 6.638 14.318 -32.726 1.00 0.00 C ATOM 368 C PRO A 26 5.628 13.350 -32.109 1.00 0.00 C ATOM 369 O PRO A 26 5.803 12.135 -32.172 1.00 0.00 O ATOM 370 CB PRO A 26 6.112 14.941 -34.019 1.00 0.00 C ATOM 371 CG PRO A 26 6.599 13.968 -35.089 1.00 0.00 C ATOM 372 CD PRO A 26 7.965 13.546 -34.556 1.00 0.00 C ATOM 0 HA PRO A 26 6.824 15.081 -31.970 1.00 0.00 H new ATOM 0 HB2 PRO A 26 5.025 15.025 -34.014 1.00 0.00 H new ATOM 0 HB3 PRO A 26 6.509 15.944 -34.175 1.00 0.00 H new ATOM 0 HG2 PRO A 26 5.927 13.117 -35.200 1.00 0.00 H new ATOM 0 HG3 PRO A 26 6.674 14.444 -36.066 1.00 0.00 H new ATOM 0 HD2 PRO A 26 8.224 12.541 -34.888 1.00 0.00 H new ATOM 0 HD3 PRO A 26 8.750 14.212 -34.914 1.00 0.00 H new ATOM 380 N GLU A 27 4.559 13.880 -31.508 1.00 0.00 N ATOM 381 CA GLU A 27 3.564 13.039 -30.872 1.00 0.00 C ATOM 382 C GLU A 27 2.886 12.131 -31.900 1.00 0.00 C ATOM 383 O GLU A 27 2.560 12.564 -33.004 1.00 0.00 O ATOM 384 CB GLU A 27 2.546 13.903 -30.125 1.00 0.00 C ATOM 385 CG GLU A 27 1.490 13.036 -29.434 1.00 0.00 C ATOM 386 CD GLU A 27 0.561 13.854 -28.535 1.00 0.00 C ATOM 387 OE1 GLU A 27 0.776 15.081 -28.414 1.00 0.00 O ATOM 388 OE2 GLU A 27 -0.366 13.234 -27.968 1.00 0.00 O ATOM 0 H GLU A 27 4.369 14.881 -31.453 1.00 0.00 H new ATOM 0 HA GLU A 27 4.057 12.395 -30.145 1.00 0.00 H new ATOM 0 HB2 GLU A 27 3.059 14.517 -29.384 1.00 0.00 H new ATOM 0 HB3 GLU A 27 2.061 14.585 -30.823 1.00 0.00 H new ATOM 0 HG2 GLU A 27 0.898 12.519 -30.189 1.00 0.00 H new ATOM 0 HG3 GLU A 27 1.986 12.270 -28.838 1.00 0.00 H new ATOM 395 N GLY A 28 2.678 10.866 -31.525 1.00 0.00 N ATOM 396 CA GLY A 28 2.035 9.879 -32.377 1.00 0.00 C ATOM 397 C GLY A 28 3.027 9.196 -33.318 1.00 0.00 C ATOM 398 O GLY A 28 2.661 8.245 -34.007 1.00 0.00 O ATOM 0 H GLY A 28 2.956 10.502 -30.614 1.00 0.00 H new ATOM 0 HA2 GLY A 28 1.549 9.127 -31.756 1.00 0.00 H new ATOM 0 HA3 GLY A 28 1.253 10.362 -32.964 1.00 0.00 H new ATOM 402 N ALA A 29 4.276 9.668 -33.349 1.00 0.00 N ATOM 403 CA ALA A 29 5.330 9.089 -34.168 1.00 0.00 C ATOM 404 C ALA A 29 6.129 8.061 -33.362 1.00 0.00 C ATOM 405 O ALA A 29 7.350 7.992 -33.476 1.00 0.00 O ATOM 406 CB ALA A 29 6.229 10.201 -34.706 1.00 0.00 C ATOM 0 H ALA A 29 4.581 10.471 -32.799 1.00 0.00 H new ATOM 0 HA ALA A 29 4.886 8.566 -35.016 1.00 0.00 H new ATOM 0 HB1 ALA A 29 7.018 9.766 -35.319 1.00 0.00 H new ATOM 0 HB2 ALA A 29 5.636 10.888 -35.311 1.00 0.00 H new ATOM 0 HB3 ALA A 29 6.675 10.744 -33.872 1.00 0.00 H new ATOM 412 N ASN A 30 5.448 7.258 -32.539 1.00 0.00 N ATOM 413 CA ASN A 30 6.102 6.302 -31.660 1.00 0.00 C ATOM 414 C ASN A 30 5.286 5.020 -31.538 1.00 0.00 C ATOM 415 O ASN A 30 4.062 5.078 -31.408 1.00 0.00 O ATOM 416 CB ASN A 30 6.398 6.944 -30.297 1.00 0.00 C ATOM 417 CG ASN A 30 5.491 8.133 -29.990 1.00 0.00 C ATOM 418 OD1 ASN A 30 4.277 8.074 -30.173 1.00 0.00 O ATOM 419 ND2 ASN A 30 6.076 9.226 -29.517 1.00 0.00 N ATOM 0 H ASN A 30 4.430 7.257 -32.468 1.00 0.00 H new ATOM 0 HA ASN A 30 7.059 6.019 -32.099 1.00 0.00 H new ATOM 0 HB2 ASN A 30 6.282 6.194 -29.515 1.00 0.00 H new ATOM 0 HB3 ASN A 30 7.438 7.271 -30.273 1.00 0.00 H new ATOM 0 HD21 ASN A 30 5.516 10.049 -29.294 1.00 0.00 H new ATOM 0 HD22 ASN A 30 7.086 9.244 -29.376 1.00 0.00 H new ATOM 426 N LEU A 31 5.958 3.865 -31.580 1.00 0.00 N ATOM 427 CA LEU A 31 5.297 2.569 -31.669 1.00 0.00 C ATOM 428 C LEU A 31 5.721 1.594 -30.576 1.00 0.00 C ATOM 429 O LEU A 31 6.784 1.719 -29.972 1.00 0.00 O ATOM 430 CB LEU A 31 5.595 1.910 -33.020 1.00 0.00 C ATOM 431 CG LEU A 31 5.199 2.751 -34.232 1.00 0.00 C ATOM 432 CD1 LEU A 31 5.457 1.920 -35.486 1.00 0.00 C ATOM 433 CD2 LEU A 31 3.720 3.111 -34.184 1.00 0.00 C ATOM 0 H LEU A 31 6.976 3.808 -31.553 1.00 0.00 H new ATOM 0 HA LEU A 31 4.234 2.776 -31.550 1.00 0.00 H new ATOM 0 HB2 LEU A 31 6.661 1.692 -33.077 1.00 0.00 H new ATOM 0 HB3 LEU A 31 5.071 0.955 -33.068 1.00 0.00 H new ATOM 0 HG LEU A 31 5.781 3.672 -34.236 1.00 0.00 H new ATOM 0 HD11 LEU A 31 5.182 2.498 -36.368 1.00 0.00 H new ATOM 0 HD12 LEU A 31 6.514 1.659 -35.538 1.00 0.00 H new ATOM 0 HD13 LEU A 31 4.859 1.009 -35.448 1.00 0.00 H new ATOM 0 HD21 LEU A 31 3.463 3.710 -35.058 1.00 0.00 H new ATOM 0 HD22 LEU A 31 3.123 2.199 -34.181 1.00 0.00 H new ATOM 0 HD23 LEU A 31 3.514 3.682 -33.279 1.00 0.00 H new ATOM 445 N PHE A 32 4.849 0.614 -30.349 1.00 0.00 N ATOM 446 CA PHE A 32 5.065 -0.535 -29.494 1.00 0.00 C ATOM 447 C PHE A 32 5.021 -1.861 -30.231 1.00 0.00 C ATOM 448 O PHE A 32 4.183 -2.041 -31.106 1.00 0.00 O ATOM 449 CB PHE A 32 4.145 -0.521 -28.275 1.00 0.00 C ATOM 450 CG PHE A 32 4.623 0.352 -27.144 1.00 0.00 C ATOM 451 CD1 PHE A 32 5.052 -0.238 -25.945 1.00 0.00 C ATOM 452 CD2 PHE A 32 4.636 1.745 -27.290 1.00 0.00 C ATOM 453 CE1 PHE A 32 5.497 0.567 -24.891 1.00 0.00 C ATOM 454 CE2 PHE A 32 5.101 2.551 -26.240 1.00 0.00 C ATOM 455 CZ PHE A 32 5.529 1.962 -25.042 1.00 0.00 C ATOM 0 H PHE A 32 3.926 0.606 -30.783 1.00 0.00 H new ATOM 0 HA PHE A 32 6.088 -0.442 -29.130 1.00 0.00 H new ATOM 0 HB2 PHE A 32 3.156 -0.183 -28.585 1.00 0.00 H new ATOM 0 HB3 PHE A 32 4.033 -1.541 -27.908 1.00 0.00 H new ATOM 0 HD1 PHE A 32 5.039 -1.312 -25.836 1.00 0.00 H new ATOM 0 HD2 PHE A 32 4.289 2.197 -28.208 1.00 0.00 H new ATOM 0 HE1 PHE A 32 5.815 0.116 -23.963 1.00 0.00 H new ATOM 0 HE2 PHE A 32 5.129 3.625 -26.355 1.00 0.00 H new ATOM 0 HZ PHE A 32 5.884 2.583 -24.233 1.00 0.00 H new ATOM 465 N ILE A 33 5.916 -2.786 -29.877 1.00 0.00 N ATOM 466 CA ILE A 33 6.005 -4.079 -30.529 1.00 0.00 C ATOM 467 C ILE A 33 6.060 -5.145 -29.447 1.00 0.00 C ATOM 468 O ILE A 33 6.732 -4.943 -28.441 1.00 0.00 O ATOM 469 CB ILE A 33 7.246 -4.133 -31.436 1.00 0.00 C ATOM 470 CG1 ILE A 33 7.312 -2.989 -32.459 1.00 0.00 C ATOM 471 CG2 ILE A 33 7.257 -5.464 -32.186 1.00 0.00 C ATOM 472 CD1 ILE A 33 7.950 -1.714 -31.896 1.00 0.00 C ATOM 0 H ILE A 33 6.596 -2.652 -29.129 1.00 0.00 H new ATOM 0 HA ILE A 33 5.136 -4.251 -31.164 1.00 0.00 H new ATOM 0 HB ILE A 33 8.114 -4.028 -30.785 1.00 0.00 H new ATOM 0 HG12 ILE A 33 7.881 -3.319 -33.328 1.00 0.00 H new ATOM 0 HG13 ILE A 33 6.304 -2.761 -32.806 1.00 0.00 H new ATOM 0 HG21 ILE A 33 8.134 -5.511 -32.832 1.00 0.00 H new ATOM 0 HG22 ILE A 33 7.290 -6.285 -31.470 1.00 0.00 H new ATOM 0 HG23 ILE A 33 6.355 -5.547 -32.792 1.00 0.00 H new ATOM 0 HD11 ILE A 33 7.967 -0.944 -32.668 1.00 0.00 H new ATOM 0 HD12 ILE A 33 7.368 -1.361 -31.044 1.00 0.00 H new ATOM 0 HD13 ILE A 33 8.969 -1.928 -31.575 1.00 0.00 H new ATOM 484 N TYR A 34 5.371 -6.273 -29.634 1.00 0.00 N ATOM 485 CA TYR A 34 5.314 -7.313 -28.613 1.00 0.00 C ATOM 486 C TYR A 34 5.362 -8.674 -29.300 1.00 0.00 C ATOM 487 O TYR A 34 5.348 -8.775 -30.522 1.00 0.00 O ATOM 488 CB TYR A 34 3.980 -7.201 -27.866 1.00 0.00 C ATOM 489 CG TYR A 34 3.531 -5.805 -27.498 1.00 0.00 C ATOM 490 CD1 TYR A 34 2.682 -5.093 -28.358 1.00 0.00 C ATOM 491 CD2 TYR A 34 3.945 -5.226 -26.289 1.00 0.00 C ATOM 492 CE1 TYR A 34 2.208 -3.825 -27.989 1.00 0.00 C ATOM 493 CE2 TYR A 34 3.480 -3.957 -25.917 1.00 0.00 C ATOM 494 CZ TYR A 34 2.595 -3.257 -26.760 1.00 0.00 C ATOM 495 OH TYR A 34 2.106 -2.037 -26.394 1.00 0.00 O ATOM 0 H TYR A 34 4.847 -6.486 -30.483 1.00 0.00 H new ATOM 0 HA TYR A 34 6.149 -7.202 -27.921 1.00 0.00 H new ATOM 0 HB2 TYR A 34 3.205 -7.658 -28.481 1.00 0.00 H new ATOM 0 HB3 TYR A 34 4.050 -7.790 -26.951 1.00 0.00 H new ATOM 0 HD1 TYR A 34 2.393 -5.522 -29.306 1.00 0.00 H new ATOM 0 HD2 TYR A 34 4.625 -5.760 -25.642 1.00 0.00 H new ATOM 0 HE1 TYR A 34 1.546 -3.284 -28.648 1.00 0.00 H new ATOM 0 HE2 TYR A 34 3.800 -3.516 -24.984 1.00 0.00 H new ATOM 0 HH TYR A 34 2.817 -1.513 -25.970 1.00 0.00 H new ATOM 505 N HIS A 35 5.420 -9.723 -28.468 1.00 0.00 N ATOM 506 CA HIS A 35 5.470 -11.129 -28.865 1.00 0.00 C ATOM 507 C HIS A 35 6.752 -11.493 -29.614 1.00 0.00 C ATOM 508 O HIS A 35 6.809 -12.537 -30.264 1.00 0.00 O ATOM 509 CB HIS A 35 4.209 -11.524 -29.646 1.00 0.00 C ATOM 510 CG HIS A 35 2.895 -11.101 -29.036 1.00 0.00 C ATOM 511 ND1 HIS A 35 1.659 -11.266 -29.629 1.00 0.00 N ATOM 512 CD2 HIS A 35 2.692 -10.499 -27.825 1.00 0.00 C ATOM 513 CE1 HIS A 35 0.725 -10.773 -28.796 1.00 0.00 C ATOM 514 NE2 HIS A 35 1.335 -10.296 -27.695 1.00 0.00 N ATOM 0 H HIS A 35 5.434 -9.605 -27.455 1.00 0.00 H new ATOM 0 HA HIS A 35 5.492 -11.717 -27.948 1.00 0.00 H new ATOM 0 HB2 HIS A 35 4.277 -11.097 -30.647 1.00 0.00 H new ATOM 0 HB3 HIS A 35 4.201 -12.608 -29.761 1.00 0.00 H new ATOM 0 HD1 HIS A 35 1.484 -11.689 -30.541 1.00 0.00 H new ATOM 0 HD2 HIS A 35 3.452 -10.233 -27.106 1.00 0.00 H new ATOM 0 HE1 HIS A 35 -0.339 -10.762 -28.980 1.00 0.00 H new ATOM 523 N LEU A 36 7.783 -10.647 -29.533 1.00 0.00 N ATOM 524 CA LEU A 36 9.062 -10.901 -30.173 1.00 0.00 C ATOM 525 C LEU A 36 9.759 -12.079 -29.494 1.00 0.00 C ATOM 526 O LEU A 36 9.700 -12.198 -28.271 1.00 0.00 O ATOM 527 CB LEU A 36 9.949 -9.656 -30.066 1.00 0.00 C ATOM 528 CG LEU A 36 9.347 -8.439 -30.770 1.00 0.00 C ATOM 529 CD1 LEU A 36 10.172 -7.202 -30.420 1.00 0.00 C ATOM 530 CD2 LEU A 36 9.361 -8.625 -32.285 1.00 0.00 C ATOM 0 H LEU A 36 7.747 -9.767 -29.019 1.00 0.00 H new ATOM 0 HA LEU A 36 8.892 -11.139 -31.223 1.00 0.00 H new ATOM 0 HB2 LEU A 36 10.110 -9.419 -29.014 1.00 0.00 H new ATOM 0 HB3 LEU A 36 10.926 -9.873 -30.497 1.00 0.00 H new ATOM 0 HG LEU A 36 8.315 -8.321 -30.438 1.00 0.00 H new ATOM 0 HD11 LEU A 36 9.749 -6.330 -30.918 1.00 0.00 H new ATOM 0 HD12 LEU A 36 10.156 -7.047 -29.341 1.00 0.00 H new ATOM 0 HD13 LEU A 36 11.201 -7.345 -30.750 1.00 0.00 H new ATOM 0 HD21 LEU A 36 8.928 -7.747 -32.763 1.00 0.00 H new ATOM 0 HD22 LEU A 36 10.388 -8.755 -32.626 1.00 0.00 H new ATOM 0 HD23 LEU A 36 8.777 -9.507 -32.549 1.00 0.00 H new ATOM 542 N PRO A 37 10.426 -12.954 -30.257 1.00 0.00 N ATOM 543 CA PRO A 37 11.231 -14.026 -29.706 1.00 0.00 C ATOM 544 C PRO A 37 12.506 -13.446 -29.095 1.00 0.00 C ATOM 545 O PRO A 37 12.880 -12.310 -29.382 1.00 0.00 O ATOM 546 CB PRO A 37 11.514 -14.956 -30.885 1.00 0.00 C ATOM 547 CG PRO A 37 11.506 -14.008 -32.083 1.00 0.00 C ATOM 548 CD PRO A 37 10.456 -12.963 -31.709 1.00 0.00 C ATOM 0 HA PRO A 37 10.735 -14.571 -28.903 1.00 0.00 H new ATOM 0 HB2 PRO A 37 12.473 -15.462 -30.778 1.00 0.00 H new ATOM 0 HB3 PRO A 37 10.753 -15.731 -30.979 1.00 0.00 H new ATOM 0 HG2 PRO A 37 12.484 -13.554 -32.241 1.00 0.00 H new ATOM 0 HG3 PRO A 37 11.243 -14.528 -33.004 1.00 0.00 H new ATOM 0 HD2 PRO A 37 10.720 -11.982 -32.103 1.00 0.00 H new ATOM 0 HD3 PRO A 37 9.480 -13.220 -32.121 1.00 0.00 H new ATOM 556 N GLN A 38 13.181 -14.224 -28.249 1.00 0.00 N ATOM 557 CA GLN A 38 14.326 -13.735 -27.493 1.00 0.00 C ATOM 558 C GLN A 38 15.564 -13.502 -28.360 1.00 0.00 C ATOM 559 O GLN A 38 16.559 -12.966 -27.878 1.00 0.00 O ATOM 560 CB GLN A 38 14.640 -14.704 -26.352 1.00 0.00 C ATOM 561 CG GLN A 38 13.524 -14.687 -25.304 1.00 0.00 C ATOM 562 CD GLN A 38 13.922 -15.460 -24.051 1.00 0.00 C ATOM 563 OE1 GLN A 38 14.777 -16.342 -24.088 1.00 0.00 O ATOM 564 NE2 GLN A 38 13.298 -15.134 -22.919 1.00 0.00 N ATOM 0 H GLN A 38 12.950 -15.202 -28.072 1.00 0.00 H new ATOM 0 HA GLN A 38 14.053 -12.761 -27.088 1.00 0.00 H new ATOM 0 HB2 GLN A 38 14.759 -15.713 -26.747 1.00 0.00 H new ATOM 0 HB3 GLN A 38 15.587 -14.431 -25.886 1.00 0.00 H new ATOM 0 HG2 GLN A 38 13.289 -13.656 -25.038 1.00 0.00 H new ATOM 0 HG3 GLN A 38 12.618 -15.121 -25.728 1.00 0.00 H new ATOM 0 HE21 GLN A 38 12.593 -14.397 -22.919 1.00 0.00 H new ATOM 0 HE22 GLN A 38 13.526 -15.621 -22.052 1.00 0.00 H new ATOM 573 N GLU A 39 15.519 -13.897 -29.636 1.00 0.00 N ATOM 574 CA GLU A 39 16.622 -13.667 -30.559 1.00 0.00 C ATOM 575 C GLU A 39 16.660 -12.203 -31.019 1.00 0.00 C ATOM 576 O GLU A 39 17.625 -11.790 -31.657 1.00 0.00 O ATOM 577 CB GLU A 39 16.516 -14.631 -31.747 1.00 0.00 C ATOM 578 CG GLU A 39 15.184 -14.472 -32.487 1.00 0.00 C ATOM 579 CD GLU A 39 15.056 -15.448 -33.656 1.00 0.00 C ATOM 580 OE1 GLU A 39 16.040 -16.171 -33.936 1.00 0.00 O ATOM 581 OE2 GLU A 39 13.966 -15.467 -34.270 1.00 0.00 O ATOM 0 H GLU A 39 14.722 -14.381 -30.050 1.00 0.00 H new ATOM 0 HA GLU A 39 17.562 -13.863 -30.043 1.00 0.00 H new ATOM 0 HB2 GLU A 39 17.340 -14.450 -32.437 1.00 0.00 H new ATOM 0 HB3 GLU A 39 16.616 -15.657 -31.393 1.00 0.00 H new ATOM 0 HG2 GLU A 39 14.361 -14.632 -31.790 1.00 0.00 H new ATOM 0 HG3 GLU A 39 15.095 -13.450 -32.857 1.00 0.00 H new ATOM 588 N PHE A 40 15.626 -11.418 -30.699 1.00 0.00 N ATOM 589 CA PHE A 40 15.598 -9.989 -30.973 1.00 0.00 C ATOM 590 C PHE A 40 16.477 -9.132 -30.067 1.00 0.00 C ATOM 591 O PHE A 40 16.837 -9.539 -28.962 1.00 0.00 O ATOM 592 CB PHE A 40 14.174 -9.439 -31.105 1.00 0.00 C ATOM 593 CG PHE A 40 13.518 -9.689 -32.449 1.00 0.00 C ATOM 594 CD1 PHE A 40 13.095 -8.604 -33.234 1.00 0.00 C ATOM 595 CD2 PHE A 40 13.327 -10.996 -32.913 1.00 0.00 C ATOM 596 CE1 PHE A 40 12.476 -8.829 -34.474 1.00 0.00 C ATOM 597 CE2 PHE A 40 12.716 -11.222 -34.154 1.00 0.00 C ATOM 598 CZ PHE A 40 12.285 -10.140 -34.932 1.00 0.00 C ATOM 0 H PHE A 40 14.783 -11.764 -30.240 1.00 0.00 H new ATOM 0 HA PHE A 40 16.068 -9.903 -31.953 1.00 0.00 H new ATOM 0 HB2 PHE A 40 13.554 -9.883 -30.326 1.00 0.00 H new ATOM 0 HB3 PHE A 40 14.196 -8.365 -30.921 1.00 0.00 H new ATOM 0 HD1 PHE A 40 13.246 -7.594 -32.883 1.00 0.00 H new ATOM 0 HD2 PHE A 40 13.652 -11.833 -32.313 1.00 0.00 H new ATOM 0 HE1 PHE A 40 12.148 -7.993 -35.074 1.00 0.00 H new ATOM 0 HE2 PHE A 40 12.577 -12.232 -34.511 1.00 0.00 H new ATOM 0 HZ PHE A 40 11.806 -10.316 -35.884 1.00 0.00 H new ATOM 608 N GLY A 41 16.824 -7.936 -30.546 1.00 0.00 N ATOM 609 CA GLY A 41 17.619 -6.978 -29.796 1.00 0.00 C ATOM 610 C GLY A 41 17.396 -5.576 -30.347 1.00 0.00 C ATOM 611 O GLY A 41 16.720 -5.411 -31.361 1.00 0.00 O ATOM 0 H GLY A 41 16.556 -7.608 -31.474 1.00 0.00 H new ATOM 0 HA2 GLY A 41 17.345 -7.012 -28.741 1.00 0.00 H new ATOM 0 HA3 GLY A 41 18.675 -7.240 -29.860 1.00 0.00 H new ATOM 615 N ASP A 42 17.958 -4.561 -29.690 1.00 0.00 N ATOM 616 CA ASP A 42 17.763 -3.179 -30.094 1.00 0.00 C ATOM 617 C ASP A 42 18.179 -2.883 -31.532 1.00 0.00 C ATOM 618 O ASP A 42 17.513 -2.132 -32.240 1.00 0.00 O ATOM 619 CB ASP A 42 18.445 -2.224 -29.109 1.00 0.00 C ATOM 620 CG ASP A 42 19.878 -2.609 -28.726 1.00 0.00 C ATOM 621 OD1 ASP A 42 20.399 -1.966 -27.787 1.00 0.00 O ATOM 622 OD2 ASP A 42 20.450 -3.527 -29.356 1.00 0.00 O ATOM 0 H ASP A 42 18.555 -4.677 -28.871 1.00 0.00 H new ATOM 0 HA ASP A 42 16.687 -3.010 -30.067 1.00 0.00 H new ATOM 0 HB2 ASP A 42 18.456 -1.224 -29.543 1.00 0.00 H new ATOM 0 HB3 ASP A 42 17.844 -2.170 -28.202 1.00 0.00 H new ATOM 627 N GLN A 43 19.292 -3.484 -31.956 1.00 0.00 N ATOM 628 CA GLN A 43 19.807 -3.322 -33.307 1.00 0.00 C ATOM 629 C GLN A 43 18.988 -4.137 -34.310 1.00 0.00 C ATOM 630 O GLN A 43 18.878 -3.767 -35.478 1.00 0.00 O ATOM 631 CB GLN A 43 21.267 -3.781 -33.319 1.00 0.00 C ATOM 632 CG GLN A 43 21.950 -3.559 -34.674 1.00 0.00 C ATOM 633 CD GLN A 43 22.146 -2.082 -35.003 1.00 0.00 C ATOM 634 OE1 GLN A 43 21.825 -1.199 -34.212 1.00 0.00 O ATOM 635 NE2 GLN A 43 22.681 -1.798 -36.186 1.00 0.00 N ATOM 0 H GLN A 43 19.858 -4.096 -31.368 1.00 0.00 H new ATOM 0 HA GLN A 43 19.735 -2.275 -33.601 1.00 0.00 H new ATOM 0 HB2 GLN A 43 21.818 -3.243 -32.547 1.00 0.00 H new ATOM 0 HB3 GLN A 43 21.312 -4.840 -33.064 1.00 0.00 H new ATOM 0 HG2 GLN A 43 22.919 -4.058 -34.673 1.00 0.00 H new ATOM 0 HG3 GLN A 43 21.352 -4.025 -35.458 1.00 0.00 H new ATOM 0 HE21 GLN A 43 22.938 -2.552 -36.823 1.00 0.00 H new ATOM 0 HE22 GLN A 43 22.834 -0.827 -36.456 1.00 0.00 H new ATOM 644 N ASP A 44 18.410 -5.251 -33.853 1.00 0.00 N ATOM 645 CA ASP A 44 17.616 -6.118 -34.713 1.00 0.00 C ATOM 646 C ASP A 44 16.211 -5.603 -35.005 1.00 0.00 C ATOM 647 O ASP A 44 15.731 -5.729 -36.129 1.00 0.00 O ATOM 648 CB ASP A 44 17.586 -7.542 -34.158 1.00 0.00 C ATOM 649 CG ASP A 44 18.924 -8.271 -34.307 1.00 0.00 C ATOM 650 OD1 ASP A 44 18.979 -9.440 -33.869 1.00 0.00 O ATOM 651 OD2 ASP A 44 19.877 -7.668 -34.849 1.00 0.00 O ATOM 0 H ASP A 44 18.481 -5.571 -32.887 1.00 0.00 H new ATOM 0 HA ASP A 44 18.119 -6.120 -35.680 1.00 0.00 H new ATOM 0 HB2 ASP A 44 17.312 -7.509 -33.104 1.00 0.00 H new ATOM 0 HB3 ASP A 44 16.810 -8.110 -34.671 1.00 0.00 H new ATOM 656 N ILE A 45 15.546 -5.022 -34.002 1.00 0.00 N ATOM 657 CA ILE A 45 14.230 -4.435 -34.206 1.00 0.00 C ATOM 658 C ILE A 45 14.390 -3.127 -34.982 1.00 0.00 C ATOM 659 O ILE A 45 13.459 -2.688 -35.654 1.00 0.00 O ATOM 660 CB ILE A 45 13.534 -4.218 -32.855 1.00 0.00 C ATOM 661 CG1 ILE A 45 12.058 -3.869 -33.085 1.00 0.00 C ATOM 662 CG2 ILE A 45 14.215 -3.109 -32.051 1.00 0.00 C ATOM 663 CD1 ILE A 45 11.287 -3.800 -31.768 1.00 0.00 C ATOM 0 H ILE A 45 15.900 -4.949 -33.048 1.00 0.00 H new ATOM 0 HA ILE A 45 13.600 -5.108 -34.788 1.00 0.00 H new ATOM 0 HB ILE A 45 13.606 -5.142 -32.281 1.00 0.00 H new ATOM 0 HG12 ILE A 45 11.986 -2.911 -33.601 1.00 0.00 H new ATOM 0 HG13 ILE A 45 11.603 -4.616 -33.735 1.00 0.00 H new ATOM 0 HG21 ILE A 45 13.699 -2.980 -31.100 1.00 0.00 H new ATOM 0 HG22 ILE A 45 15.254 -3.380 -31.866 1.00 0.00 H new ATOM 0 HG23 ILE A 45 14.178 -2.176 -32.614 1.00 0.00 H new ATOM 0 HD11 ILE A 45 10.245 -3.551 -31.969 1.00 0.00 H new ATOM 0 HD12 ILE A 45 11.338 -4.766 -31.265 1.00 0.00 H new ATOM 0 HD13 ILE A 45 11.727 -3.034 -31.129 1.00 0.00 H new ATOM 675 N LEU A 46 15.568 -2.499 -34.894 1.00 0.00 N ATOM 676 CA LEU A 46 15.846 -1.298 -35.657 1.00 0.00 C ATOM 677 C LEU A 46 15.853 -1.628 -37.145 1.00 0.00 C ATOM 678 O LEU A 46 15.167 -0.976 -37.928 1.00 0.00 O ATOM 679 CB LEU A 46 17.200 -0.729 -35.217 1.00 0.00 C ATOM 680 CG LEU A 46 17.625 0.479 -36.052 1.00 0.00 C ATOM 681 CD1 LEU A 46 16.705 1.675 -35.809 1.00 0.00 C ATOM 682 CD2 LEU A 46 19.059 0.866 -35.699 1.00 0.00 C ATOM 0 H LEU A 46 16.337 -2.810 -34.300 1.00 0.00 H new ATOM 0 HA LEU A 46 15.074 -0.550 -35.476 1.00 0.00 H new ATOM 0 HB2 LEU A 46 17.146 -0.440 -34.167 1.00 0.00 H new ATOM 0 HB3 LEU A 46 17.960 -1.506 -35.295 1.00 0.00 H new ATOM 0 HG LEU A 46 17.558 0.203 -37.104 1.00 0.00 H new ATOM 0 HD11 LEU A 46 17.035 2.517 -36.418 1.00 0.00 H new ATOM 0 HD12 LEU A 46 15.683 1.409 -36.080 1.00 0.00 H new ATOM 0 HD13 LEU A 46 16.740 1.953 -34.756 1.00 0.00 H new ATOM 0 HD21 LEU A 46 19.361 1.727 -36.295 1.00 0.00 H new ATOM 0 HD22 LEU A 46 19.118 1.119 -34.640 1.00 0.00 H new ATOM 0 HD23 LEU A 46 19.724 0.028 -35.909 1.00 0.00 H new ATOM 694 N GLN A 47 16.626 -2.644 -37.539 1.00 0.00 N ATOM 695 CA GLN A 47 16.744 -3.044 -38.930 1.00 0.00 C ATOM 696 C GLN A 47 15.416 -3.565 -39.478 1.00 0.00 C ATOM 697 O GLN A 47 15.196 -3.534 -40.690 1.00 0.00 O ATOM 698 CB GLN A 47 17.833 -4.115 -39.054 1.00 0.00 C ATOM 699 CG GLN A 47 19.222 -3.520 -38.797 1.00 0.00 C ATOM 700 CD GLN A 47 19.761 -2.757 -40.002 1.00 0.00 C ATOM 701 OE1 GLN A 47 19.124 -2.677 -41.050 1.00 0.00 O ATOM 702 NE2 GLN A 47 20.955 -2.184 -39.863 1.00 0.00 N ATOM 0 H GLN A 47 17.184 -3.207 -36.898 1.00 0.00 H new ATOM 0 HA GLN A 47 17.018 -2.171 -39.522 1.00 0.00 H new ATOM 0 HB2 GLN A 47 17.640 -4.918 -38.343 1.00 0.00 H new ATOM 0 HB3 GLN A 47 17.802 -4.557 -40.050 1.00 0.00 H new ATOM 0 HG2 GLN A 47 19.174 -2.850 -37.938 1.00 0.00 H new ATOM 0 HG3 GLN A 47 19.915 -4.321 -38.538 1.00 0.00 H new ATOM 0 HE21 GLN A 47 21.461 -2.267 -38.981 1.00 0.00 H new ATOM 0 HE22 GLN A 47 21.364 -1.662 -40.638 1.00 0.00 H new ATOM 711 N MET A 48 14.531 -4.039 -38.597 1.00 0.00 N ATOM 712 CA MET A 48 13.212 -4.494 -38.996 1.00 0.00 C ATOM 713 C MET A 48 12.297 -3.304 -39.293 1.00 0.00 C ATOM 714 O MET A 48 11.377 -3.423 -40.099 1.00 0.00 O ATOM 715 CB MET A 48 12.637 -5.369 -37.877 1.00 0.00 C ATOM 716 CG MET A 48 11.200 -5.801 -38.167 1.00 0.00 C ATOM 717 SD MET A 48 11.004 -6.902 -39.593 1.00 0.00 S ATOM 718 CE MET A 48 11.740 -8.411 -38.928 1.00 0.00 C ATOM 0 H MET A 48 14.714 -4.115 -37.596 1.00 0.00 H new ATOM 0 HA MET A 48 13.285 -5.081 -39.911 1.00 0.00 H new ATOM 0 HB2 MET A 48 13.262 -6.253 -37.751 1.00 0.00 H new ATOM 0 HB3 MET A 48 12.667 -4.820 -36.936 1.00 0.00 H new ATOM 0 HG2 MET A 48 10.802 -6.301 -37.284 1.00 0.00 H new ATOM 0 HG3 MET A 48 10.594 -4.909 -38.329 1.00 0.00 H new ATOM 0 HE1 MET A 48 11.530 -9.244 -39.598 1.00 0.00 H new ATOM 0 HE2 MET A 48 12.818 -8.281 -38.838 1.00 0.00 H new ATOM 0 HE3 MET A 48 11.317 -8.620 -37.945 1.00 0.00 H new ATOM 728 N PHE A 49 12.547 -2.157 -38.645 1.00 0.00 N ATOM 729 CA PHE A 49 11.711 -0.971 -38.784 1.00 0.00 C ATOM 730 C PHE A 49 12.237 0.177 -39.644 1.00 0.00 C ATOM 731 O PHE A 49 11.487 1.097 -39.965 1.00 0.00 O ATOM 732 CB PHE A 49 11.151 -0.527 -37.431 1.00 0.00 C ATOM 733 CG PHE A 49 10.002 -1.377 -36.932 1.00 0.00 C ATOM 734 CD1 PHE A 49 8.707 -0.840 -36.855 1.00 0.00 C ATOM 735 CD2 PHE A 49 10.223 -2.704 -36.536 1.00 0.00 C ATOM 736 CE1 PHE A 49 7.637 -1.627 -36.405 1.00 0.00 C ATOM 737 CE2 PHE A 49 9.156 -3.489 -36.086 1.00 0.00 C ATOM 738 CZ PHE A 49 7.860 -2.956 -36.024 1.00 0.00 C ATOM 0 H PHE A 49 13.336 -2.032 -38.011 1.00 0.00 H new ATOM 0 HA PHE A 49 10.885 -1.312 -39.408 1.00 0.00 H new ATOM 0 HB2 PHE A 49 11.953 -0.548 -36.693 1.00 0.00 H new ATOM 0 HB3 PHE A 49 10.817 0.508 -37.509 1.00 0.00 H new ATOM 0 HD1 PHE A 49 8.534 0.186 -37.144 1.00 0.00 H new ATOM 0 HD2 PHE A 49 11.218 -3.121 -36.578 1.00 0.00 H new ATOM 0 HE1 PHE A 49 6.643 -1.209 -36.352 1.00 0.00 H new ATOM 0 HE2 PHE A 49 9.331 -4.511 -35.785 1.00 0.00 H new ATOM 0 HZ PHE A 49 7.038 -3.568 -35.684 1.00 0.00 H new ATOM 748 N MET A 50 13.518 0.143 -40.026 1.00 0.00 N ATOM 749 CA MET A 50 14.089 1.190 -40.863 1.00 0.00 C ATOM 750 C MET A 50 13.530 1.257 -42.292 1.00 0.00 C ATOM 751 O MET A 50 13.480 2.358 -42.836 1.00 0.00 O ATOM 752 CB MET A 50 15.613 1.072 -40.908 1.00 0.00 C ATOM 753 CG MET A 50 16.244 1.602 -39.618 1.00 0.00 C ATOM 754 SD MET A 50 18.003 2.011 -39.758 1.00 0.00 S ATOM 755 CE MET A 50 18.679 0.360 -40.074 1.00 0.00 C ATOM 0 H MET A 50 14.172 -0.596 -39.768 1.00 0.00 H new ATOM 0 HA MET A 50 13.790 2.123 -40.385 1.00 0.00 H new ATOM 0 HB2 MET A 50 15.896 0.030 -41.054 1.00 0.00 H new ATOM 0 HB3 MET A 50 15.999 1.629 -41.761 1.00 0.00 H new ATOM 0 HG2 MET A 50 15.701 2.492 -39.301 1.00 0.00 H new ATOM 0 HG3 MET A 50 16.118 0.856 -38.833 1.00 0.00 H new ATOM 0 HE1 MET A 50 19.763 0.423 -40.169 1.00 0.00 H new ATOM 0 HE2 MET A 50 18.425 -0.302 -39.246 1.00 0.00 H new ATOM 0 HE3 MET A 50 18.256 -0.036 -40.997 1.00 0.00 H new ATOM 765 N PRO A 51 13.104 0.161 -42.944 1.00 0.00 N ATOM 766 CA PRO A 51 12.568 0.252 -44.295 1.00 0.00 C ATOM 767 C PRO A 51 11.171 0.882 -44.314 1.00 0.00 C ATOM 768 O PRO A 51 10.660 1.202 -45.383 1.00 0.00 O ATOM 769 CB PRO A 51 12.535 -1.187 -44.803 1.00 0.00 C ATOM 770 CG PRO A 51 12.312 -2.000 -43.531 1.00 0.00 C ATOM 771 CD PRO A 51 13.109 -1.221 -42.490 1.00 0.00 C ATOM 0 HA PRO A 51 13.180 0.896 -44.926 1.00 0.00 H new ATOM 0 HB2 PRO A 51 11.733 -1.341 -45.525 1.00 0.00 H new ATOM 0 HB3 PRO A 51 13.467 -1.461 -45.298 1.00 0.00 H new ATOM 0 HG2 PRO A 51 11.256 -2.061 -43.270 1.00 0.00 H new ATOM 0 HG3 PRO A 51 12.674 -3.023 -43.636 1.00 0.00 H new ATOM 0 HD2 PRO A 51 12.656 -1.310 -41.503 1.00 0.00 H new ATOM 0 HD3 PRO A 51 14.127 -1.603 -42.410 1.00 0.00 H new ATOM 779 N PHE A 52 10.552 1.067 -43.143 1.00 0.00 N ATOM 780 CA PHE A 52 9.231 1.673 -43.040 1.00 0.00 C ATOM 781 C PHE A 52 9.302 3.201 -42.978 1.00 0.00 C ATOM 782 O PHE A 52 8.281 3.868 -43.146 1.00 0.00 O ATOM 783 CB PHE A 52 8.532 1.121 -41.802 1.00 0.00 C ATOM 784 CG PHE A 52 8.364 -0.383 -41.809 1.00 0.00 C ATOM 785 CD1 PHE A 52 8.571 -1.106 -40.625 1.00 0.00 C ATOM 786 CD2 PHE A 52 8.007 -1.060 -42.983 1.00 0.00 C ATOM 787 CE1 PHE A 52 8.440 -2.503 -40.618 1.00 0.00 C ATOM 788 CE2 PHE A 52 7.881 -2.456 -42.981 1.00 0.00 C ATOM 789 CZ PHE A 52 8.104 -3.178 -41.798 1.00 0.00 C ATOM 0 H PHE A 52 10.956 0.800 -42.245 1.00 0.00 H new ATOM 0 HA PHE A 52 8.664 1.421 -43.936 1.00 0.00 H new ATOM 0 HB2 PHE A 52 9.101 1.409 -40.918 1.00 0.00 H new ATOM 0 HB3 PHE A 52 7.550 1.586 -41.714 1.00 0.00 H new ATOM 0 HD1 PHE A 52 8.832 -0.586 -39.715 1.00 0.00 H new ATOM 0 HD2 PHE A 52 7.828 -0.505 -43.892 1.00 0.00 H new ATOM 0 HE1 PHE A 52 8.598 -3.057 -39.704 1.00 0.00 H new ATOM 0 HE2 PHE A 52 7.613 -2.976 -43.889 1.00 0.00 H new ATOM 0 HZ PHE A 52 8.016 -4.254 -41.798 1.00 0.00 H new ATOM 799 N GLY A 53 10.493 3.755 -42.740 1.00 0.00 N ATOM 800 CA GLY A 53 10.697 5.195 -42.673 1.00 0.00 C ATOM 801 C GLY A 53 11.899 5.547 -41.806 1.00 0.00 C ATOM 802 O GLY A 53 12.631 4.665 -41.363 1.00 0.00 O ATOM 0 H GLY A 53 11.343 3.212 -42.588 1.00 0.00 H new ATOM 0 HA2 GLY A 53 10.843 5.590 -43.678 1.00 0.00 H new ATOM 0 HA3 GLY A 53 9.804 5.672 -42.270 1.00 0.00 H new ATOM 806 N ASN A 54 12.111 6.842 -41.559 1.00 0.00 N ATOM 807 CA ASN A 54 13.249 7.291 -40.767 1.00 0.00 C ATOM 808 C ASN A 54 12.997 7.029 -39.287 1.00 0.00 C ATOM 809 O ASN A 54 12.276 7.782 -38.629 1.00 0.00 O ATOM 810 CB ASN A 54 13.494 8.779 -41.025 1.00 0.00 C ATOM 811 CG ASN A 54 14.724 9.269 -40.271 1.00 0.00 C ATOM 812 OD1 ASN A 54 15.828 9.270 -40.806 1.00 0.00 O ATOM 813 ND2 ASN A 54 14.539 9.688 -39.021 1.00 0.00 N ATOM 0 H ASN A 54 11.509 7.593 -41.897 1.00 0.00 H new ATOM 0 HA ASN A 54 14.139 6.734 -41.060 1.00 0.00 H new ATOM 0 HB2 ASN A 54 13.626 8.949 -42.093 1.00 0.00 H new ATOM 0 HB3 ASN A 54 12.621 9.354 -40.716 1.00 0.00 H new ATOM 0 HD21 ASN A 54 15.331 10.025 -38.474 1.00 0.00 H new ATOM 0 HD22 ASN A 54 13.605 9.672 -38.611 1.00 0.00 H new ATOM 820 N VAL A 55 13.599 5.961 -38.767 1.00 0.00 N ATOM 821 CA VAL A 55 13.521 5.630 -37.357 1.00 0.00 C ATOM 822 C VAL A 55 14.500 6.513 -36.590 1.00 0.00 C ATOM 823 O VAL A 55 15.680 6.578 -36.935 1.00 0.00 O ATOM 824 CB VAL A 55 13.849 4.148 -37.161 1.00 0.00 C ATOM 825 CG1 VAL A 55 13.872 3.781 -35.679 1.00 0.00 C ATOM 826 CG2 VAL A 55 12.799 3.285 -37.862 1.00 0.00 C ATOM 0 H VAL A 55 14.153 5.304 -39.317 1.00 0.00 H new ATOM 0 HA VAL A 55 12.514 5.808 -36.979 1.00 0.00 H new ATOM 0 HB VAL A 55 14.835 3.966 -37.589 1.00 0.00 H new ATOM 0 HG11 VAL A 55 14.108 2.722 -35.570 1.00 0.00 H new ATOM 0 HG12 VAL A 55 14.630 4.376 -35.169 1.00 0.00 H new ATOM 0 HG13 VAL A 55 12.895 3.983 -35.239 1.00 0.00 H new ATOM 0 HG21 VAL A 55 13.039 2.232 -37.718 1.00 0.00 H new ATOM 0 HG22 VAL A 55 11.816 3.494 -37.440 1.00 0.00 H new ATOM 0 HG23 VAL A 55 12.793 3.514 -38.928 1.00 0.00 H new ATOM 836 N ILE A 56 14.014 7.190 -35.549 1.00 0.00 N ATOM 837 CA ILE A 56 14.847 8.050 -34.719 1.00 0.00 C ATOM 838 C ILE A 56 15.562 7.227 -33.651 1.00 0.00 C ATOM 839 O ILE A 56 16.686 7.557 -33.269 1.00 0.00 O ATOM 840 CB ILE A 56 13.979 9.154 -34.099 1.00 0.00 C ATOM 841 CG1 ILE A 56 13.614 10.141 -35.213 1.00 0.00 C ATOM 842 CG2 ILE A 56 14.735 9.865 -32.970 1.00 0.00 C ATOM 843 CD1 ILE A 56 12.849 11.352 -34.685 1.00 0.00 C ATOM 0 H ILE A 56 13.036 7.156 -35.261 1.00 0.00 H new ATOM 0 HA ILE A 56 15.615 8.521 -35.332 1.00 0.00 H new ATOM 0 HB ILE A 56 13.076 8.726 -33.664 1.00 0.00 H new ATOM 0 HG12 ILE A 56 14.524 10.477 -35.710 1.00 0.00 H new ATOM 0 HG13 ILE A 56 13.010 9.631 -35.964 1.00 0.00 H new ATOM 0 HG21 ILE A 56 14.103 10.644 -32.543 1.00 0.00 H new ATOM 0 HG22 ILE A 56 14.995 9.144 -32.195 1.00 0.00 H new ATOM 0 HG23 ILE A 56 15.645 10.314 -33.368 1.00 0.00 H new ATOM 0 HD11 ILE A 56 12.613 12.022 -35.512 1.00 0.00 H new ATOM 0 HD12 ILE A 56 11.925 11.020 -34.211 1.00 0.00 H new ATOM 0 HD13 ILE A 56 13.462 11.879 -33.954 1.00 0.00 H new ATOM 855 N SER A 57 14.921 6.162 -33.165 1.00 0.00 N ATOM 856 CA SER A 57 15.513 5.286 -32.170 1.00 0.00 C ATOM 857 C SER A 57 14.728 3.975 -32.083 1.00 0.00 C ATOM 858 O SER A 57 13.567 3.911 -32.489 1.00 0.00 O ATOM 859 CB SER A 57 15.513 5.994 -30.814 1.00 0.00 C ATOM 860 OG SER A 57 16.170 5.197 -29.855 1.00 0.00 O ATOM 0 H SER A 57 13.981 5.889 -33.453 1.00 0.00 H new ATOM 0 HA SER A 57 16.538 5.053 -32.457 1.00 0.00 H new ATOM 0 HB2 SER A 57 16.011 6.960 -30.899 1.00 0.00 H new ATOM 0 HB3 SER A 57 14.489 6.190 -30.496 1.00 0.00 H new ATOM 0 HG SER A 57 16.168 5.657 -28.990 1.00 0.00 H new ATOM 866 N ALA A 58 15.367 2.932 -31.553 1.00 0.00 N ATOM 867 CA ALA A 58 14.778 1.613 -31.430 1.00 0.00 C ATOM 868 C ALA A 58 15.407 0.871 -30.254 1.00 0.00 C ATOM 869 O ALA A 58 16.595 1.049 -29.973 1.00 0.00 O ATOM 870 CB ALA A 58 14.997 0.861 -32.743 1.00 0.00 C ATOM 0 H ALA A 58 16.320 2.988 -31.195 1.00 0.00 H new ATOM 0 HA ALA A 58 13.708 1.689 -31.237 1.00 0.00 H new ATOM 0 HB1 ALA A 58 14.560 -0.135 -32.669 1.00 0.00 H new ATOM 0 HB2 ALA A 58 14.522 1.406 -33.558 1.00 0.00 H new ATOM 0 HB3 ALA A 58 16.066 0.775 -32.939 1.00 0.00 H new ATOM 876 N LYS A 59 14.617 0.042 -29.566 1.00 0.00 N ATOM 877 CA LYS A 59 15.073 -0.683 -28.387 1.00 0.00 C ATOM 878 C LYS A 59 14.200 -1.902 -28.119 1.00 0.00 C ATOM 879 O LYS A 59 12.997 -1.871 -28.363 1.00 0.00 O ATOM 880 CB LYS A 59 15.078 0.300 -27.203 1.00 0.00 C ATOM 881 CG LYS A 59 15.337 -0.351 -25.838 1.00 0.00 C ATOM 882 CD LYS A 59 14.061 -0.765 -25.102 1.00 0.00 C ATOM 883 CE LYS A 59 13.184 0.436 -24.735 1.00 0.00 C ATOM 884 NZ LYS A 59 13.888 1.387 -23.844 1.00 0.00 N ATOM 0 H LYS A 59 13.645 -0.142 -29.814 1.00 0.00 H new ATOM 0 HA LYS A 59 16.081 -1.067 -28.543 1.00 0.00 H new ATOM 0 HB2 LYS A 59 15.840 1.059 -27.380 1.00 0.00 H new ATOM 0 HB3 LYS A 59 14.118 0.814 -27.170 1.00 0.00 H new ATOM 0 HG2 LYS A 59 15.966 -1.230 -25.978 1.00 0.00 H new ATOM 0 HG3 LYS A 59 15.896 0.346 -25.213 1.00 0.00 H new ATOM 0 HD2 LYS A 59 13.490 -1.451 -25.728 1.00 0.00 H new ATOM 0 HD3 LYS A 59 14.328 -1.308 -24.195 1.00 0.00 H new ATOM 0 HE2 LYS A 59 12.877 0.952 -25.645 1.00 0.00 H new ATOM 0 HE3 LYS A 59 12.276 0.085 -24.245 1.00 0.00 H new ATOM 0 HZ1 LYS A 59 13.209 2.081 -23.471 1.00 0.00 H new ATOM 0 HZ2 LYS A 59 14.321 0.867 -23.054 1.00 0.00 H new ATOM 0 HZ3 LYS A 59 14.629 1.881 -24.380 1.00 0.00 H new ATOM 898 N VAL A 60 14.804 -2.980 -27.611 1.00 0.00 N ATOM 899 CA VAL A 60 14.060 -4.147 -27.137 1.00 0.00 C ATOM 900 C VAL A 60 14.190 -4.177 -25.618 1.00 0.00 C ATOM 901 O VAL A 60 15.272 -3.924 -25.087 1.00 0.00 O ATOM 902 CB VAL A 60 14.625 -5.420 -27.774 1.00 0.00 C ATOM 903 CG1 VAL A 60 14.082 -6.671 -27.088 1.00 0.00 C ATOM 904 CG2 VAL A 60 14.238 -5.466 -29.249 1.00 0.00 C ATOM 0 H VAL A 60 15.816 -3.067 -27.518 1.00 0.00 H new ATOM 0 HA VAL A 60 13.008 -4.089 -27.417 1.00 0.00 H new ATOM 0 HB VAL A 60 15.709 -5.400 -27.662 1.00 0.00 H new ATOM 0 HG11 VAL A 60 14.502 -7.558 -27.563 1.00 0.00 H new ATOM 0 HG12 VAL A 60 14.360 -6.658 -26.034 1.00 0.00 H new ATOM 0 HG13 VAL A 60 12.996 -6.692 -27.176 1.00 0.00 H new ATOM 0 HG21 VAL A 60 14.640 -6.372 -29.703 1.00 0.00 H new ATOM 0 HG22 VAL A 60 13.152 -5.466 -29.340 1.00 0.00 H new ATOM 0 HG23 VAL A 60 14.645 -4.593 -29.759 1.00 0.00 H new ATOM 914 N PHE A 61 13.096 -4.478 -24.916 1.00 0.00 N ATOM 915 CA PHE A 61 13.090 -4.485 -23.462 1.00 0.00 C ATOM 916 C PHE A 61 13.820 -5.661 -22.819 1.00 0.00 C ATOM 917 O PHE A 61 13.789 -6.770 -23.349 1.00 0.00 O ATOM 918 CB PHE A 61 11.672 -4.311 -22.921 1.00 0.00 C ATOM 919 CG PHE A 61 11.095 -2.924 -23.114 1.00 0.00 C ATOM 920 CD1 PHE A 61 10.187 -2.688 -24.157 1.00 0.00 C ATOM 921 CD2 PHE A 61 11.452 -1.874 -22.255 1.00 0.00 C ATOM 922 CE1 PHE A 61 9.639 -1.413 -24.347 1.00 0.00 C ATOM 923 CE2 PHE A 61 10.890 -0.605 -22.433 1.00 0.00 C ATOM 924 CZ PHE A 61 9.988 -0.368 -23.477 1.00 0.00 C ATOM 0 H PHE A 61 12.200 -4.721 -25.339 1.00 0.00 H new ATOM 0 HA PHE A 61 13.682 -3.620 -23.164 1.00 0.00 H new ATOM 0 HB2 PHE A 61 11.019 -5.034 -23.409 1.00 0.00 H new ATOM 0 HB3 PHE A 61 11.671 -4.547 -21.857 1.00 0.00 H new ATOM 0 HD1 PHE A 61 9.908 -3.495 -24.818 1.00 0.00 H new ATOM 0 HD2 PHE A 61 12.160 -2.045 -21.457 1.00 0.00 H new ATOM 0 HE1 PHE A 61 8.951 -1.235 -25.160 1.00 0.00 H new ATOM 0 HE2 PHE A 61 11.154 0.197 -21.760 1.00 0.00 H new ATOM 0 HZ PHE A 61 9.562 0.615 -23.613 1.00 0.00 H new ATOM 934 N ILE A 62 14.474 -5.423 -21.676 1.00 0.00 N ATOM 935 CA ILE A 62 15.253 -6.438 -20.975 1.00 0.00 C ATOM 936 C ILE A 62 14.880 -6.459 -19.492 1.00 0.00 C ATOM 937 O ILE A 62 14.601 -5.413 -18.907 1.00 0.00 O ATOM 938 CB ILE A 62 16.753 -6.154 -21.133 1.00 0.00 C ATOM 939 CG1 ILE A 62 17.203 -6.008 -22.594 1.00 0.00 C ATOM 940 CG2 ILE A 62 17.555 -7.258 -20.444 1.00 0.00 C ATOM 941 CD1 ILE A 62 17.097 -7.308 -23.394 1.00 0.00 C ATOM 0 H ILE A 62 14.475 -4.514 -21.213 1.00 0.00 H new ATOM 0 HA ILE A 62 15.029 -7.412 -21.409 1.00 0.00 H new ATOM 0 HB ILE A 62 16.942 -5.190 -20.661 1.00 0.00 H new ATOM 0 HG12 ILE A 62 16.598 -5.241 -23.078 1.00 0.00 H new ATOM 0 HG13 ILE A 62 18.236 -5.660 -22.616 1.00 0.00 H new ATOM 0 HG21 ILE A 62 18.621 -7.057 -20.556 1.00 0.00 H new ATOM 0 HG22 ILE A 62 17.300 -7.286 -19.385 1.00 0.00 H new ATOM 0 HG23 ILE A 62 17.317 -8.219 -20.900 1.00 0.00 H new ATOM 0 HD11 ILE A 62 17.430 -7.134 -24.417 1.00 0.00 H new ATOM 0 HD12 ILE A 62 17.724 -8.071 -22.933 1.00 0.00 H new ATOM 0 HD13 ILE A 62 16.061 -7.646 -23.403 1.00 0.00 H new ATOM 953 N ASP A 63 14.875 -7.649 -18.885 1.00 0.00 N ATOM 954 CA ASP A 63 14.595 -7.803 -17.464 1.00 0.00 C ATOM 955 C ASP A 63 15.906 -7.660 -16.687 1.00 0.00 C ATOM 956 O ASP A 63 16.896 -8.305 -17.024 1.00 0.00 O ATOM 957 CB ASP A 63 13.974 -9.185 -17.239 1.00 0.00 C ATOM 958 CG ASP A 63 13.505 -9.400 -15.803 1.00 0.00 C ATOM 959 OD1 ASP A 63 12.889 -10.458 -15.555 1.00 0.00 O ATOM 960 OD2 ASP A 63 13.763 -8.512 -14.961 1.00 0.00 O ATOM 0 H ASP A 63 15.065 -8.527 -19.367 1.00 0.00 H new ATOM 0 HA ASP A 63 13.898 -7.041 -17.116 1.00 0.00 H new ATOM 0 HB2 ASP A 63 13.128 -9.312 -17.915 1.00 0.00 H new ATOM 0 HB3 ASP A 63 14.705 -9.952 -17.496 1.00 0.00 H new ATOM 965 N LYS A 64 15.925 -6.822 -15.644 1.00 0.00 N ATOM 966 CA LYS A 64 17.133 -6.614 -14.854 1.00 0.00 C ATOM 967 C LYS A 64 17.400 -7.789 -13.909 1.00 0.00 C ATOM 968 O LYS A 64 18.488 -7.887 -13.347 1.00 0.00 O ATOM 969 CB LYS A 64 17.047 -5.297 -14.069 1.00 0.00 C ATOM 970 CG LYS A 64 16.089 -5.326 -12.872 1.00 0.00 C ATOM 971 CD LYS A 64 14.601 -5.344 -13.242 1.00 0.00 C ATOM 972 CE LYS A 64 14.195 -4.099 -14.038 1.00 0.00 C ATOM 973 NZ LYS A 64 14.392 -2.866 -13.250 1.00 0.00 N ATOM 0 H LYS A 64 15.118 -6.281 -15.332 1.00 0.00 H new ATOM 0 HA LYS A 64 17.972 -6.552 -15.547 1.00 0.00 H new ATOM 0 HB2 LYS A 64 18.044 -5.036 -13.713 1.00 0.00 H new ATOM 0 HB3 LYS A 64 16.734 -4.504 -14.749 1.00 0.00 H new ATOM 0 HG2 LYS A 64 16.310 -6.206 -12.269 1.00 0.00 H new ATOM 0 HG3 LYS A 64 16.283 -4.454 -12.247 1.00 0.00 H new ATOM 0 HD2 LYS A 64 14.384 -6.237 -13.828 1.00 0.00 H new ATOM 0 HD3 LYS A 64 14.002 -5.406 -12.334 1.00 0.00 H new ATOM 0 HE2 LYS A 64 14.782 -4.044 -14.955 1.00 0.00 H new ATOM 0 HE3 LYS A 64 13.149 -4.180 -14.334 1.00 0.00 H new ATOM 0 HZ1 LYS A 64 13.954 -2.063 -13.746 1.00 0.00 H new ATOM 0 HZ2 LYS A 64 13.951 -2.978 -12.315 1.00 0.00 H new ATOM 0 HZ3 LYS A 64 15.410 -2.687 -13.134 1.00 0.00 H new ATOM 987 N GLN A 65 16.417 -8.675 -13.731 1.00 0.00 N ATOM 988 CA GLN A 65 16.518 -9.807 -12.820 1.00 0.00 C ATOM 989 C GLN A 65 17.102 -11.050 -13.487 1.00 0.00 C ATOM 990 O GLN A 65 17.647 -11.916 -12.804 1.00 0.00 O ATOM 991 CB GLN A 65 15.126 -10.134 -12.302 1.00 0.00 C ATOM 992 CG GLN A 65 14.602 -9.008 -11.405 1.00 0.00 C ATOM 993 CD GLN A 65 13.085 -9.008 -11.345 1.00 0.00 C ATOM 994 OE1 GLN A 65 12.494 -9.086 -10.271 1.00 0.00 O ATOM 995 NE2 GLN A 65 12.436 -8.928 -12.500 1.00 0.00 N ATOM 0 H GLN A 65 15.524 -8.622 -14.221 1.00 0.00 H new ATOM 0 HA GLN A 65 17.192 -9.525 -12.012 1.00 0.00 H new ATOM 0 HB2 GLN A 65 14.446 -10.283 -13.141 1.00 0.00 H new ATOM 0 HB3 GLN A 65 15.151 -11.069 -11.742 1.00 0.00 H new ATOM 0 HG2 GLN A 65 15.007 -9.123 -10.400 1.00 0.00 H new ATOM 0 HG3 GLN A 65 14.953 -8.047 -11.782 1.00 0.00 H new ATOM 0 HE21 GLN A 65 12.957 -8.864 -13.374 1.00 0.00 H new ATOM 0 HE22 GLN A 65 11.416 -8.930 -12.513 1.00 0.00 H new ATOM 1004 N THR A 66 16.988 -11.140 -14.815 1.00 0.00 N ATOM 1005 CA THR A 66 17.422 -12.306 -15.579 1.00 0.00 C ATOM 1006 C THR A 66 18.244 -11.976 -16.816 1.00 0.00 C ATOM 1007 O THR A 66 18.857 -12.857 -17.417 1.00 0.00 O ATOM 1008 CB THR A 66 16.249 -13.236 -15.906 1.00 0.00 C ATOM 1009 OG1 THR A 66 15.685 -12.845 -17.138 1.00 0.00 O ATOM 1010 CG2 THR A 66 15.151 -13.188 -14.845 1.00 0.00 C ATOM 0 H THR A 66 16.589 -10.399 -15.391 1.00 0.00 H new ATOM 0 HA THR A 66 18.106 -12.841 -14.920 1.00 0.00 H new ATOM 0 HB THR A 66 16.641 -14.252 -15.944 1.00 0.00 H new ATOM 0 HG1 THR A 66 14.934 -13.436 -17.356 1.00 0.00 H new ATOM 0 HG21 THR A 66 14.344 -13.865 -15.126 1.00 0.00 H new ATOM 0 HG22 THR A 66 15.562 -13.492 -13.882 1.00 0.00 H new ATOM 0 HG23 THR A 66 14.763 -12.172 -14.769 1.00 0.00 H new ATOM 1018 N ASN A 67 18.243 -10.698 -17.187 1.00 0.00 N ATOM 1019 CA ASN A 67 18.938 -10.173 -18.356 1.00 0.00 C ATOM 1020 C ASN A 67 18.402 -10.774 -19.662 1.00 0.00 C ATOM 1021 O ASN A 67 18.973 -10.551 -20.729 1.00 0.00 O ATOM 1022 CB ASN A 67 20.451 -10.349 -18.182 1.00 0.00 C ATOM 1023 CG ASN A 67 21.249 -9.525 -19.187 1.00 0.00 C ATOM 1024 OD1 ASN A 67 20.859 -8.417 -19.549 1.00 0.00 O ATOM 1025 ND2 ASN A 67 22.376 -10.060 -19.647 1.00 0.00 N ATOM 0 H ASN A 67 17.743 -9.978 -16.665 1.00 0.00 H new ATOM 0 HA ASN A 67 18.740 -9.104 -18.435 1.00 0.00 H new ATOM 0 HB2 ASN A 67 20.734 -10.058 -17.170 1.00 0.00 H new ATOM 0 HB3 ASN A 67 20.707 -11.402 -18.294 1.00 0.00 H new ATOM 0 HD21 ASN A 67 22.945 -9.548 -20.321 1.00 0.00 H new ATOM 0 HD22 ASN A 67 22.671 -10.982 -19.326 1.00 0.00 H new ATOM 1032 N LEU A 68 17.306 -11.538 -19.587 1.00 0.00 N ATOM 1033 CA LEU A 68 16.635 -12.066 -20.765 1.00 0.00 C ATOM 1034 C LEU A 68 15.714 -11.004 -21.353 1.00 0.00 C ATOM 1035 O LEU A 68 15.342 -10.050 -20.669 1.00 0.00 O ATOM 1036 CB LEU A 68 15.838 -13.324 -20.400 1.00 0.00 C ATOM 1037 CG LEU A 68 16.740 -14.454 -19.887 1.00 0.00 C ATOM 1038 CD1 LEU A 68 15.880 -15.612 -19.389 1.00 0.00 C ATOM 1039 CD2 LEU A 68 17.658 -14.970 -20.996 1.00 0.00 C ATOM 0 H LEU A 68 16.865 -11.803 -18.706 1.00 0.00 H new ATOM 0 HA LEU A 68 17.382 -12.336 -21.511 1.00 0.00 H new ATOM 0 HB2 LEU A 68 15.100 -13.076 -19.637 1.00 0.00 H new ATOM 0 HB3 LEU A 68 15.288 -13.670 -21.275 1.00 0.00 H new ATOM 0 HG LEU A 68 17.350 -14.056 -19.076 1.00 0.00 H new ATOM 0 HD11 LEU A 68 16.524 -16.413 -19.025 1.00 0.00 H new ATOM 0 HD12 LEU A 68 15.238 -15.266 -18.579 1.00 0.00 H new ATOM 0 HD13 LEU A 68 15.263 -15.985 -20.207 1.00 0.00 H new ATOM 0 HD21 LEU A 68 18.286 -15.770 -20.605 1.00 0.00 H new ATOM 0 HD22 LEU A 68 17.055 -15.352 -21.820 1.00 0.00 H new ATOM 0 HD23 LEU A 68 18.288 -14.156 -21.355 1.00 0.00 H new ATOM 1051 N SER A 69 15.344 -11.169 -22.624 1.00 0.00 N ATOM 1052 CA SER A 69 14.446 -10.234 -23.285 1.00 0.00 C ATOM 1053 C SER A 69 13.031 -10.359 -22.731 1.00 0.00 C ATOM 1054 O SER A 69 12.564 -11.464 -22.448 1.00 0.00 O ATOM 1055 CB SER A 69 14.458 -10.472 -24.795 1.00 0.00 C ATOM 1056 OG SER A 69 13.496 -9.643 -25.416 1.00 0.00 O ATOM 0 H SER A 69 15.655 -11.942 -23.212 1.00 0.00 H new ATOM 0 HA SER A 69 14.795 -9.220 -23.089 1.00 0.00 H new ATOM 0 HB2 SER A 69 15.448 -10.261 -25.198 1.00 0.00 H new ATOM 0 HB3 SER A 69 14.243 -11.519 -25.010 1.00 0.00 H new ATOM 0 HG SER A 69 13.508 -9.797 -26.384 1.00 0.00 H new ATOM 1062 N LYS A 70 12.344 -9.225 -22.579 1.00 0.00 N ATOM 1063 CA LYS A 70 10.953 -9.201 -22.148 1.00 0.00 C ATOM 1064 C LYS A 70 10.005 -9.553 -23.301 1.00 0.00 C ATOM 1065 O LYS A 70 8.789 -9.458 -23.146 1.00 0.00 O ATOM 1066 CB LYS A 70 10.603 -7.849 -21.533 1.00 0.00 C ATOM 1067 CG LYS A 70 11.388 -7.610 -20.239 1.00 0.00 C ATOM 1068 CD LYS A 70 10.792 -6.392 -19.533 1.00 0.00 C ATOM 1069 CE LYS A 70 11.463 -6.158 -18.184 1.00 0.00 C ATOM 1070 NZ LYS A 70 10.934 -4.942 -17.538 1.00 0.00 N ATOM 0 H LYS A 70 12.740 -8.301 -22.752 1.00 0.00 H new ATOM 0 HA LYS A 70 10.825 -9.964 -21.380 1.00 0.00 H new ATOM 0 HB2 LYS A 70 10.822 -7.054 -22.246 1.00 0.00 H new ATOM 0 HB3 LYS A 70 9.534 -7.806 -21.326 1.00 0.00 H new ATOM 0 HG2 LYS A 70 11.333 -8.487 -19.594 1.00 0.00 H new ATOM 0 HG3 LYS A 70 12.442 -7.443 -20.460 1.00 0.00 H new ATOM 0 HD2 LYS A 70 10.912 -5.509 -20.161 1.00 0.00 H new ATOM 0 HD3 LYS A 70 9.721 -6.538 -19.390 1.00 0.00 H new ATOM 0 HE2 LYS A 70 11.298 -7.020 -17.537 1.00 0.00 H new ATOM 0 HE3 LYS A 70 12.540 -6.063 -18.321 1.00 0.00 H new ATOM 0 HZ1 LYS A 70 11.405 -4.803 -16.621 1.00 0.00 H new ATOM 0 HZ2 LYS A 70 11.113 -4.119 -18.148 1.00 0.00 H new ATOM 0 HZ3 LYS A 70 9.910 -5.046 -17.389 1.00 0.00 H new ATOM 1084 N CYS A 71 10.562 -9.958 -24.444 1.00 0.00 N ATOM 1085 CA CYS A 71 9.805 -10.364 -25.619 1.00 0.00 C ATOM 1086 C CYS A 71 8.951 -9.250 -26.229 1.00 0.00 C ATOM 1087 O CYS A 71 7.954 -9.531 -26.895 1.00 0.00 O ATOM 1088 CB CYS A 71 9.009 -11.639 -25.314 1.00 0.00 C ATOM 1089 SG CYS A 71 10.166 -12.986 -24.959 1.00 0.00 S ATOM 0 H CYS A 71 11.572 -10.012 -24.576 1.00 0.00 H new ATOM 0 HA CYS A 71 10.525 -10.591 -26.405 1.00 0.00 H new ATOM 0 HB2 CYS A 71 8.349 -11.476 -24.462 1.00 0.00 H new ATOM 0 HB3 CYS A 71 8.376 -11.900 -26.162 1.00 0.00 H new ATOM 0 HG CYS A 71 9.501 -14.072 -24.697 1.00 0.00 H new ATOM 1095 N PHE A 72 9.315 -7.981 -26.017 1.00 0.00 N ATOM 1096 CA PHE A 72 8.600 -6.870 -26.637 1.00 0.00 C ATOM 1097 C PHE A 72 9.597 -5.703 -26.647 1.00 0.00 C ATOM 1098 O PHE A 72 10.641 -5.760 -25.999 1.00 0.00 O ATOM 1099 CB PHE A 72 7.366 -6.557 -25.782 1.00 0.00 C ATOM 1100 CG PHE A 72 7.547 -5.637 -24.602 1.00 0.00 C ATOM 1101 CD1 PHE A 72 7.019 -4.340 -24.658 1.00 0.00 C ATOM 1102 CD2 PHE A 72 8.209 -6.077 -23.450 1.00 0.00 C ATOM 1103 CE1 PHE A 72 7.129 -3.492 -23.545 1.00 0.00 C ATOM 1104 CE2 PHE A 72 8.316 -5.232 -22.339 1.00 0.00 C ATOM 1105 CZ PHE A 72 7.768 -3.945 -22.385 1.00 0.00 C ATOM 0 H PHE A 72 10.097 -7.703 -25.424 1.00 0.00 H new ATOM 0 HA PHE A 72 8.253 -7.081 -27.649 1.00 0.00 H new ATOM 0 HB2 PHE A 72 6.608 -6.122 -26.433 1.00 0.00 H new ATOM 0 HB3 PHE A 72 6.965 -7.501 -25.413 1.00 0.00 H new ATOM 0 HD1 PHE A 72 6.528 -3.994 -25.556 1.00 0.00 H new ATOM 0 HD2 PHE A 72 8.637 -7.068 -23.418 1.00 0.00 H new ATOM 0 HE1 PHE A 72 6.722 -2.493 -23.584 1.00 0.00 H new ATOM 0 HE2 PHE A 72 8.821 -5.573 -21.447 1.00 0.00 H new ATOM 0 HZ PHE A 72 7.838 -3.299 -21.522 1.00 0.00 H new ATOM 1115 N GLY A 73 9.275 -4.641 -27.390 1.00 0.00 N ATOM 1116 CA GLY A 73 10.190 -3.527 -27.606 1.00 0.00 C ATOM 1117 C GLY A 73 9.489 -2.217 -27.965 1.00 0.00 C ATOM 1118 O GLY A 73 8.262 -2.115 -27.939 1.00 0.00 O ATOM 0 H GLY A 73 8.374 -4.533 -27.856 1.00 0.00 H new ATOM 0 HA2 GLY A 73 10.784 -3.376 -26.704 1.00 0.00 H new ATOM 0 HA3 GLY A 73 10.884 -3.788 -28.405 1.00 0.00 H new ATOM 1122 N PHE A 74 10.305 -1.218 -28.302 1.00 0.00 N ATOM 1123 CA PHE A 74 9.913 0.147 -28.618 1.00 0.00 C ATOM 1124 C PHE A 74 10.672 0.784 -29.788 1.00 0.00 C ATOM 1125 O PHE A 74 11.870 0.549 -29.941 1.00 0.00 O ATOM 1126 CB PHE A 74 9.882 1.005 -27.348 1.00 0.00 C ATOM 1127 CG PHE A 74 10.149 2.476 -27.581 1.00 0.00 C ATOM 1128 CD1 PHE A 74 11.347 3.042 -27.121 1.00 0.00 C ATOM 1129 CD2 PHE A 74 9.218 3.273 -28.261 1.00 0.00 C ATOM 1130 CE1 PHE A 74 11.649 4.379 -27.412 1.00 0.00 C ATOM 1131 CE2 PHE A 74 9.514 4.614 -28.541 1.00 0.00 C ATOM 1132 CZ PHE A 74 10.736 5.162 -28.127 1.00 0.00 C ATOM 0 H PHE A 74 11.314 -1.352 -28.364 1.00 0.00 H new ATOM 0 HA PHE A 74 8.895 0.096 -29.004 1.00 0.00 H new ATOM 0 HB2 PHE A 74 8.906 0.896 -26.874 1.00 0.00 H new ATOM 0 HB3 PHE A 74 10.622 0.621 -26.646 1.00 0.00 H new ATOM 0 HD1 PHE A 74 12.037 2.447 -26.542 1.00 0.00 H new ATOM 0 HD2 PHE A 74 8.272 2.853 -28.569 1.00 0.00 H new ATOM 0 HE1 PHE A 74 12.586 4.805 -27.085 1.00 0.00 H new ATOM 0 HE2 PHE A 74 8.801 5.225 -29.075 1.00 0.00 H new ATOM 0 HZ PHE A 74 10.973 6.190 -28.360 1.00 0.00 H new ATOM 1142 N VAL A 75 9.986 1.585 -30.607 1.00 0.00 N ATOM 1143 CA VAL A 75 10.562 2.233 -31.785 1.00 0.00 C ATOM 1144 C VAL A 75 9.901 3.598 -31.998 1.00 0.00 C ATOM 1145 O VAL A 75 8.752 3.789 -31.598 1.00 0.00 O ATOM 1146 CB VAL A 75 10.380 1.336 -33.023 1.00 0.00 C ATOM 1147 CG1 VAL A 75 10.978 1.976 -34.275 1.00 0.00 C ATOM 1148 CG2 VAL A 75 11.036 -0.037 -32.841 1.00 0.00 C ATOM 0 H VAL A 75 9.000 1.804 -30.467 1.00 0.00 H new ATOM 0 HA VAL A 75 11.630 2.385 -31.629 1.00 0.00 H new ATOM 0 HB VAL A 75 9.303 1.215 -33.142 1.00 0.00 H new ATOM 0 HG11 VAL A 75 10.830 1.314 -35.128 1.00 0.00 H new ATOM 0 HG12 VAL A 75 10.486 2.930 -34.466 1.00 0.00 H new ATOM 0 HG13 VAL A 75 12.045 2.142 -34.125 1.00 0.00 H new ATOM 0 HG21 VAL A 75 10.882 -0.636 -33.739 1.00 0.00 H new ATOM 0 HG22 VAL A 75 12.105 0.090 -32.668 1.00 0.00 H new ATOM 0 HG23 VAL A 75 10.588 -0.544 -31.986 1.00 0.00 H new ATOM 1158 N SER A 76 10.606 4.552 -32.620 1.00 0.00 N ATOM 1159 CA SER A 76 10.048 5.876 -32.891 1.00 0.00 C ATOM 1160 C SER A 76 10.474 6.412 -34.254 1.00 0.00 C ATOM 1161 O SER A 76 11.559 6.099 -34.744 1.00 0.00 O ATOM 1162 CB SER A 76 10.449 6.841 -31.777 1.00 0.00 C ATOM 1163 OG SER A 76 9.933 8.132 -32.037 1.00 0.00 O ATOM 0 H SER A 76 11.565 4.428 -32.944 1.00 0.00 H new ATOM 0 HA SER A 76 8.962 5.785 -32.916 1.00 0.00 H new ATOM 0 HB2 SER A 76 10.074 6.478 -30.820 1.00 0.00 H new ATOM 0 HB3 SER A 76 11.535 6.885 -31.698 1.00 0.00 H new ATOM 0 HG SER A 76 9.081 8.054 -32.514 1.00 0.00 H new ATOM 1169 N TYR A 77 9.602 7.224 -34.865 1.00 0.00 N ATOM 1170 CA TYR A 77 9.805 7.832 -36.172 1.00 0.00 C ATOM 1171 C TYR A 77 9.940 9.351 -36.180 1.00 0.00 C ATOM 1172 O TYR A 77 9.562 10.011 -35.211 1.00 0.00 O ATOM 1173 CB TYR A 77 8.717 7.375 -37.143 1.00 0.00 C ATOM 1174 CG TYR A 77 8.851 5.933 -37.559 1.00 0.00 C ATOM 1175 CD1 TYR A 77 8.219 4.936 -36.801 1.00 0.00 C ATOM 1176 CD2 TYR A 77 9.603 5.593 -38.696 1.00 0.00 C ATOM 1177 CE1 TYR A 77 8.341 3.592 -37.175 1.00 0.00 C ATOM 1178 CE2 TYR A 77 9.730 4.248 -39.075 1.00 0.00 C ATOM 1179 CZ TYR A 77 9.102 3.247 -38.310 1.00 0.00 C ATOM 1180 OH TYR A 77 9.223 1.941 -38.659 1.00 0.00 O ATOM 0 H TYR A 77 8.709 7.480 -34.444 1.00 0.00 H new ATOM 0 HA TYR A 77 10.781 7.475 -36.501 1.00 0.00 H new ATOM 0 HB2 TYR A 77 7.742 7.522 -36.679 1.00 0.00 H new ATOM 0 HB3 TYR A 77 8.746 8.006 -38.032 1.00 0.00 H new ATOM 0 HD1 TYR A 77 7.639 5.205 -35.930 1.00 0.00 H new ATOM 0 HD2 TYR A 77 10.083 6.366 -39.278 1.00 0.00 H new ATOM 0 HE1 TYR A 77 7.853 2.822 -36.595 1.00 0.00 H new ATOM 0 HE2 TYR A 77 10.306 3.982 -39.949 1.00 0.00 H new ATOM 0 HH TYR A 77 10.091 1.797 -39.089 1.00 0.00 H new ATOM 1190 N ASP A 78 10.477 9.914 -37.269 1.00 0.00 N ATOM 1191 CA ASP A 78 10.556 11.360 -37.435 1.00 0.00 C ATOM 1192 C ASP A 78 9.198 11.957 -37.827 1.00 0.00 C ATOM 1193 O ASP A 78 9.000 13.170 -37.785 1.00 0.00 O ATOM 1194 CB ASP A 78 11.661 11.685 -38.448 1.00 0.00 C ATOM 1195 CG ASP A 78 11.785 13.174 -38.766 1.00 0.00 C ATOM 1196 OD1 ASP A 78 11.639 13.990 -37.830 1.00 0.00 O ATOM 1197 OD2 ASP A 78 12.028 13.488 -39.951 1.00 0.00 O ATOM 0 H ASP A 78 10.864 9.382 -38.049 1.00 0.00 H new ATOM 0 HA ASP A 78 10.816 11.824 -36.483 1.00 0.00 H new ATOM 0 HB2 ASP A 78 12.614 11.325 -38.061 1.00 0.00 H new ATOM 0 HB3 ASP A 78 11.466 11.140 -39.372 1.00 0.00 H new ATOM 1202 N ASN A 79 8.251 11.094 -38.206 1.00 0.00 N ATOM 1203 CA ASN A 79 6.901 11.495 -38.553 1.00 0.00 C ATOM 1204 C ASN A 79 5.910 10.354 -38.324 1.00 0.00 C ATOM 1205 O ASN A 79 6.282 9.184 -38.430 1.00 0.00 O ATOM 1206 CB ASN A 79 6.839 12.010 -39.999 1.00 0.00 C ATOM 1207 CG ASN A 79 7.578 11.141 -41.014 1.00 0.00 C ATOM 1208 OD1 ASN A 79 7.667 9.836 -40.777 1.00 0.00 O flip ATOM 1209 ND2 ASN A 79 8.069 11.650 -42.017 1.00 0.00 N flip ATOM 0 H ASN A 79 8.410 10.089 -38.279 1.00 0.00 H new ATOM 0 HA ASN A 79 6.612 12.315 -37.895 1.00 0.00 H new ATOM 0 HB2 ASN A 79 5.794 12.088 -40.299 1.00 0.00 H new ATOM 0 HB3 ASN A 79 7.255 13.017 -40.031 1.00 0.00 H new ATOM 0 HD21 ASN A 79 7.985 12.655 -42.172 1.00 0.00 H new ATOM 0 HD22 ASN A 79 8.561 11.068 -42.695 1.00 0.00 H new ATOM 1216 N PRO A 80 4.647 10.671 -38.014 1.00 0.00 N ATOM 1217 CA PRO A 80 3.629 9.675 -37.732 1.00 0.00 C ATOM 1218 C PRO A 80 3.220 8.912 -38.991 1.00 0.00 C ATOM 1219 O PRO A 80 2.646 7.831 -38.890 1.00 0.00 O ATOM 1220 CB PRO A 80 2.455 10.469 -37.156 1.00 0.00 C ATOM 1221 CG PRO A 80 2.593 11.837 -37.826 1.00 0.00 C ATOM 1222 CD PRO A 80 4.110 12.015 -37.901 1.00 0.00 C ATOM 0 HA PRO A 80 3.989 8.914 -37.040 1.00 0.00 H new ATOM 0 HB2 PRO A 80 1.499 10.001 -37.391 1.00 0.00 H new ATOM 0 HB3 PRO A 80 2.515 10.545 -36.070 1.00 0.00 H new ATOM 0 HG2 PRO A 80 2.133 11.854 -38.814 1.00 0.00 H new ATOM 0 HG3 PRO A 80 2.120 12.626 -37.241 1.00 0.00 H new ATOM 0 HD2 PRO A 80 4.393 12.625 -38.759 1.00 0.00 H new ATOM 0 HD3 PRO A 80 4.492 12.518 -37.012 1.00 0.00 H new ATOM 1230 N VAL A 81 3.506 9.453 -40.178 1.00 0.00 N ATOM 1231 CA VAL A 81 3.143 8.796 -41.427 1.00 0.00 C ATOM 1232 C VAL A 81 3.847 7.450 -41.564 1.00 0.00 C ATOM 1233 O VAL A 81 3.229 6.446 -41.917 1.00 0.00 O ATOM 1234 CB VAL A 81 3.482 9.704 -42.614 1.00 0.00 C ATOM 1235 CG1 VAL A 81 2.955 9.092 -43.911 1.00 0.00 C ATOM 1236 CG2 VAL A 81 2.877 11.094 -42.421 1.00 0.00 C ATOM 0 H VAL A 81 3.988 10.344 -40.296 1.00 0.00 H new ATOM 0 HA VAL A 81 2.069 8.611 -41.419 1.00 0.00 H new ATOM 0 HB VAL A 81 4.566 9.798 -42.673 1.00 0.00 H new ATOM 0 HG11 VAL A 81 3.201 9.745 -44.748 1.00 0.00 H new ATOM 0 HG12 VAL A 81 3.414 8.116 -44.065 1.00 0.00 H new ATOM 0 HG13 VAL A 81 1.873 8.978 -43.846 1.00 0.00 H new ATOM 0 HG21 VAL A 81 3.130 11.723 -43.275 1.00 0.00 H new ATOM 0 HG22 VAL A 81 1.793 11.011 -42.340 1.00 0.00 H new ATOM 0 HG23 VAL A 81 3.276 11.541 -41.511 1.00 0.00 H new ATOM 1246 N SER A 82 5.152 7.435 -41.276 1.00 0.00 N ATOM 1247 CA SER A 82 5.947 6.215 -41.325 1.00 0.00 C ATOM 1248 C SER A 82 5.579 5.280 -40.176 1.00 0.00 C ATOM 1249 O SER A 82 5.744 4.069 -40.289 1.00 0.00 O ATOM 1250 CB SER A 82 7.427 6.572 -41.233 1.00 0.00 C ATOM 1251 OG SER A 82 7.804 7.386 -42.322 1.00 0.00 O ATOM 0 H SER A 82 5.680 8.265 -41.005 1.00 0.00 H new ATOM 0 HA SER A 82 5.743 5.705 -42.266 1.00 0.00 H new ATOM 0 HB2 SER A 82 7.625 7.092 -40.296 1.00 0.00 H new ATOM 0 HB3 SER A 82 8.028 5.662 -41.225 1.00 0.00 H new ATOM 0 HG SER A 82 7.846 8.321 -42.032 1.00 0.00 H new ATOM 1257 N ALA A 83 5.080 5.835 -39.068 1.00 0.00 N ATOM 1258 CA ALA A 83 4.730 5.033 -37.912 1.00 0.00 C ATOM 1259 C ALA A 83 3.471 4.216 -38.194 1.00 0.00 C ATOM 1260 O ALA A 83 3.447 3.019 -37.918 1.00 0.00 O ATOM 1261 CB ALA A 83 4.537 5.949 -36.704 1.00 0.00 C ATOM 0 H ALA A 83 4.913 6.835 -38.956 1.00 0.00 H new ATOM 0 HA ALA A 83 5.536 4.332 -37.694 1.00 0.00 H new ATOM 0 HB1 ALA A 83 4.274 5.350 -35.832 1.00 0.00 H new ATOM 0 HB2 ALA A 83 5.462 6.490 -36.506 1.00 0.00 H new ATOM 0 HB3 ALA A 83 3.737 6.660 -36.911 1.00 0.00 H new ATOM 1267 N GLN A 84 2.425 4.840 -38.743 1.00 0.00 N ATOM 1268 CA GLN A 84 1.179 4.135 -39.014 1.00 0.00 C ATOM 1269 C GLN A 84 1.378 3.065 -40.090 1.00 0.00 C ATOM 1270 O GLN A 84 0.694 2.041 -40.077 1.00 0.00 O ATOM 1271 CB GLN A 84 0.097 5.130 -39.439 1.00 0.00 C ATOM 1272 CG GLN A 84 -0.191 6.151 -38.333 1.00 0.00 C ATOM 1273 CD GLN A 84 -0.583 5.489 -37.018 1.00 0.00 C ATOM 1274 OE1 GLN A 84 -0.093 6.020 -35.901 1.00 0.00 O flip ATOM 1275 NE2 GLN A 84 -1.321 4.508 -37.004 1.00 0.00 N flip ATOM 0 H GLN A 84 2.420 5.826 -39.005 1.00 0.00 H new ATOM 0 HA GLN A 84 0.859 3.635 -38.100 1.00 0.00 H new ATOM 0 HB2 GLN A 84 0.414 5.650 -40.343 1.00 0.00 H new ATOM 0 HB3 GLN A 84 -0.818 4.591 -39.686 1.00 0.00 H new ATOM 0 HG2 GLN A 84 0.692 6.770 -38.176 1.00 0.00 H new ATOM 0 HG3 GLN A 84 -0.993 6.815 -38.655 1.00 0.00 H new ATOM 0 HE21 GLN A 84 -1.679 4.127 -37.880 1.00 0.00 H new ATOM 0 HE22 GLN A 84 -1.576 4.074 -36.117 1.00 0.00 H new ATOM 1284 N ALA A 85 2.308 3.291 -41.022 1.00 0.00 N ATOM 1285 CA ALA A 85 2.628 2.289 -42.026 1.00 0.00 C ATOM 1286 C ALA A 85 3.299 1.086 -41.372 1.00 0.00 C ATOM 1287 O ALA A 85 2.996 -0.057 -41.704 1.00 0.00 O ATOM 1288 CB ALA A 85 3.565 2.894 -43.066 1.00 0.00 C ATOM 0 H ALA A 85 2.846 4.154 -41.097 1.00 0.00 H new ATOM 0 HA ALA A 85 1.707 1.961 -42.509 1.00 0.00 H new ATOM 0 HB1 ALA A 85 3.806 2.144 -43.819 1.00 0.00 H new ATOM 0 HB2 ALA A 85 3.078 3.744 -43.543 1.00 0.00 H new ATOM 0 HB3 ALA A 85 4.482 3.227 -42.580 1.00 0.00 H new ATOM 1294 N ALA A 86 4.219 1.346 -40.438 1.00 0.00 N ATOM 1295 CA ALA A 86 4.951 0.292 -39.763 1.00 0.00 C ATOM 1296 C ALA A 86 4.049 -0.562 -38.863 1.00 0.00 C ATOM 1297 O ALA A 86 4.346 -1.733 -38.644 1.00 0.00 O ATOM 1298 CB ALA A 86 6.081 0.925 -38.954 1.00 0.00 C ATOM 0 H ALA A 86 4.469 2.288 -40.137 1.00 0.00 H new ATOM 0 HA ALA A 86 5.359 -0.383 -40.515 1.00 0.00 H new ATOM 0 HB1 ALA A 86 6.642 0.144 -38.440 1.00 0.00 H new ATOM 0 HB2 ALA A 86 6.747 1.469 -39.623 1.00 0.00 H new ATOM 0 HB3 ALA A 86 5.662 1.614 -38.221 1.00 0.00 H new ATOM 1304 N ILE A 87 2.949 0.000 -38.341 1.00 0.00 N ATOM 1305 CA ILE A 87 2.012 -0.792 -37.552 1.00 0.00 C ATOM 1306 C ILE A 87 1.362 -1.825 -38.457 1.00 0.00 C ATOM 1307 O ILE A 87 1.347 -3.012 -38.142 1.00 0.00 O ATOM 1308 CB ILE A 87 0.935 0.093 -36.909 1.00 0.00 C ATOM 1309 CG1 ILE A 87 1.564 1.070 -35.914 1.00 0.00 C ATOM 1310 CG2 ILE A 87 -0.108 -0.782 -36.201 1.00 0.00 C ATOM 1311 CD1 ILE A 87 0.508 1.915 -35.195 1.00 0.00 C ATOM 0 H ILE A 87 2.695 0.982 -38.451 1.00 0.00 H new ATOM 0 HA ILE A 87 2.558 -1.285 -36.747 1.00 0.00 H new ATOM 0 HB ILE A 87 0.444 0.669 -37.694 1.00 0.00 H new ATOM 0 HG12 ILE A 87 2.146 0.514 -35.179 1.00 0.00 H new ATOM 0 HG13 ILE A 87 2.258 1.726 -36.439 1.00 0.00 H new ATOM 0 HG21 ILE A 87 -0.869 -0.146 -35.747 1.00 0.00 H new ATOM 0 HG22 ILE A 87 -0.577 -1.448 -36.926 1.00 0.00 H new ATOM 0 HG23 ILE A 87 0.379 -1.374 -35.426 1.00 0.00 H new ATOM 0 HD11 ILE A 87 0.999 2.595 -34.498 1.00 0.00 H new ATOM 0 HD12 ILE A 87 -0.057 2.492 -35.927 1.00 0.00 H new ATOM 0 HD13 ILE A 87 -0.170 1.261 -34.647 1.00 0.00 H new ATOM 1323 N GLN A 88 0.827 -1.372 -39.593 1.00 0.00 N ATOM 1324 CA GLN A 88 0.163 -2.256 -40.542 1.00 0.00 C ATOM 1325 C GLN A 88 1.163 -3.197 -41.217 1.00 0.00 C ATOM 1326 O GLN A 88 0.762 -4.156 -41.875 1.00 0.00 O ATOM 1327 CB GLN A 88 -0.565 -1.407 -41.588 1.00 0.00 C ATOM 1328 CG GLN A 88 -1.639 -0.530 -40.931 1.00 0.00 C ATOM 1329 CD GLN A 88 -2.331 0.377 -41.949 1.00 0.00 C ATOM 1330 OE1 GLN A 88 -2.051 0.328 -43.142 1.00 0.00 O ATOM 1331 NE2 GLN A 88 -3.250 1.220 -41.474 1.00 0.00 N ATOM 0 H GLN A 88 0.843 -0.392 -39.875 1.00 0.00 H new ATOM 0 HA GLN A 88 -0.556 -2.875 -40.006 1.00 0.00 H new ATOM 0 HB2 GLN A 88 0.152 -0.777 -42.114 1.00 0.00 H new ATOM 0 HB3 GLN A 88 -1.026 -2.056 -42.333 1.00 0.00 H new ATOM 0 HG2 GLN A 88 -2.381 -1.165 -40.446 1.00 0.00 H new ATOM 0 HG3 GLN A 88 -1.183 0.080 -40.151 1.00 0.00 H new ATOM 0 HE21 GLN A 88 -3.460 1.236 -40.476 1.00 0.00 H new ATOM 0 HE22 GLN A 88 -3.743 1.848 -42.109 1.00 0.00 H new ATOM 1340 N ALA A 89 2.464 -2.930 -41.060 1.00 0.00 N ATOM 1341 CA ALA A 89 3.507 -3.725 -41.678 1.00 0.00 C ATOM 1342 C ALA A 89 3.941 -4.907 -40.808 1.00 0.00 C ATOM 1343 O ALA A 89 4.385 -5.918 -41.349 1.00 0.00 O ATOM 1344 CB ALA A 89 4.704 -2.815 -41.947 1.00 0.00 C ATOM 0 H ALA A 89 2.814 -2.154 -40.498 1.00 0.00 H new ATOM 0 HA ALA A 89 3.114 -4.145 -42.604 1.00 0.00 H new ATOM 0 HB1 ALA A 89 5.503 -3.392 -42.413 1.00 0.00 H new ATOM 0 HB2 ALA A 89 4.404 -2.007 -42.614 1.00 0.00 H new ATOM 0 HB3 ALA A 89 5.061 -2.395 -41.006 1.00 0.00 H new ATOM 1350 N MET A 90 3.820 -4.802 -39.476 1.00 0.00 N ATOM 1351 CA MET A 90 4.242 -5.880 -38.583 1.00 0.00 C ATOM 1352 C MET A 90 3.116 -6.424 -37.710 1.00 0.00 C ATOM 1353 O MET A 90 3.205 -7.552 -37.224 1.00 0.00 O ATOM 1354 CB MET A 90 5.445 -5.421 -37.758 1.00 0.00 C ATOM 1355 CG MET A 90 5.762 -6.438 -36.660 1.00 0.00 C ATOM 1356 SD MET A 90 7.496 -6.506 -36.155 1.00 0.00 S ATOM 1357 CE MET A 90 8.117 -7.401 -37.602 1.00 0.00 C ATOM 0 H MET A 90 3.436 -3.986 -39.001 1.00 0.00 H new ATOM 0 HA MET A 90 4.540 -6.724 -39.205 1.00 0.00 H new ATOM 0 HB2 MET A 90 6.312 -5.296 -38.407 1.00 0.00 H new ATOM 0 HB3 MET A 90 5.238 -4.448 -37.312 1.00 0.00 H new ATOM 0 HG2 MET A 90 5.154 -6.207 -35.786 1.00 0.00 H new ATOM 0 HG3 MET A 90 5.461 -7.427 -37.005 1.00 0.00 H new ATOM 0 HE1 MET A 90 9.074 -7.863 -37.361 1.00 0.00 H new ATOM 0 HE2 MET A 90 7.402 -8.174 -37.886 1.00 0.00 H new ATOM 0 HE3 MET A 90 8.248 -6.706 -38.431 1.00 0.00 H new ATOM 1367 N ASN A 91 2.055 -5.651 -37.496 1.00 0.00 N ATOM 1368 CA ASN A 91 0.919 -6.139 -36.731 1.00 0.00 C ATOM 1369 C ASN A 91 0.375 -7.401 -37.401 1.00 0.00 C ATOM 1370 O ASN A 91 0.036 -7.382 -38.584 1.00 0.00 O ATOM 1371 CB ASN A 91 -0.145 -5.043 -36.634 1.00 0.00 C ATOM 1372 CG ASN A 91 -1.298 -5.431 -35.724 1.00 0.00 C ATOM 1373 OD1 ASN A 91 -1.209 -6.379 -34.952 1.00 0.00 O ATOM 1374 ND2 ASN A 91 -2.396 -4.691 -35.809 1.00 0.00 N ATOM 0 H ASN A 91 1.961 -4.695 -37.839 1.00 0.00 H new ATOM 0 HA ASN A 91 1.223 -6.394 -35.716 1.00 0.00 H new ATOM 0 HB2 ASN A 91 0.314 -4.127 -36.263 1.00 0.00 H new ATOM 0 HB3 ASN A 91 -0.530 -4.825 -37.630 1.00 0.00 H new ATOM 0 HD21 ASN A 91 -3.201 -4.904 -35.220 1.00 0.00 H new ATOM 0 HD22 ASN A 91 -2.435 -3.909 -36.463 1.00 0.00 H new ATOM 1381 N GLY A 92 0.293 -8.495 -36.642 1.00 0.00 N ATOM 1382 CA GLY A 92 -0.196 -9.771 -37.139 1.00 0.00 C ATOM 1383 C GLY A 92 0.894 -10.616 -37.807 1.00 0.00 C ATOM 1384 O GLY A 92 0.584 -11.683 -38.330 1.00 0.00 O ATOM 0 H GLY A 92 0.567 -8.515 -35.660 1.00 0.00 H new ATOM 0 HA2 GLY A 92 -0.628 -10.334 -36.312 1.00 0.00 H new ATOM 0 HA3 GLY A 92 -0.998 -9.592 -37.855 1.00 0.00 H new ATOM 1388 N PHE A 93 2.157 -10.170 -37.802 1.00 0.00 N ATOM 1389 CA PHE A 93 3.246 -10.921 -38.414 1.00 0.00 C ATOM 1390 C PHE A 93 3.466 -12.241 -37.677 1.00 0.00 C ATOM 1391 O PHE A 93 3.790 -12.235 -36.490 1.00 0.00 O ATOM 1392 CB PHE A 93 4.509 -10.055 -38.426 1.00 0.00 C ATOM 1393 CG PHE A 93 5.744 -10.717 -38.995 1.00 0.00 C ATOM 1394 CD1 PHE A 93 6.118 -10.455 -40.321 1.00 0.00 C ATOM 1395 CD2 PHE A 93 6.531 -11.572 -38.205 1.00 0.00 C ATOM 1396 CE1 PHE A 93 7.271 -11.046 -40.857 1.00 0.00 C ATOM 1397 CE2 PHE A 93 7.683 -12.165 -38.742 1.00 0.00 C ATOM 1398 CZ PHE A 93 8.050 -11.902 -40.069 1.00 0.00 C ATOM 0 H PHE A 93 2.444 -9.288 -37.377 1.00 0.00 H new ATOM 0 HA PHE A 93 2.991 -11.171 -39.444 1.00 0.00 H new ATOM 0 HB2 PHE A 93 4.304 -9.152 -39.001 1.00 0.00 H new ATOM 0 HB3 PHE A 93 4.724 -9.741 -37.404 1.00 0.00 H new ATOM 0 HD1 PHE A 93 5.517 -9.797 -40.931 1.00 0.00 H new ATOM 0 HD2 PHE A 93 6.248 -11.773 -37.182 1.00 0.00 H new ATOM 0 HE1 PHE A 93 7.558 -10.841 -41.878 1.00 0.00 H new ATOM 0 HE2 PHE A 93 8.286 -12.823 -38.134 1.00 0.00 H new ATOM 0 HZ PHE A 93 8.935 -12.360 -40.484 1.00 0.00 H new ATOM 1408 N GLN A 94 3.292 -13.373 -38.360 1.00 0.00 N ATOM 1409 CA GLN A 94 3.409 -14.669 -37.710 1.00 0.00 C ATOM 1410 C GLN A 94 4.875 -15.027 -37.502 1.00 0.00 C ATOM 1411 O GLN A 94 5.672 -14.952 -38.437 1.00 0.00 O ATOM 1412 CB GLN A 94 2.668 -15.726 -38.539 1.00 0.00 C ATOM 1413 CG GLN A 94 2.427 -17.012 -37.744 1.00 0.00 C ATOM 1414 CD GLN A 94 3.671 -17.873 -37.561 1.00 0.00 C ATOM 1415 OE1 GLN A 94 4.596 -17.839 -38.368 1.00 0.00 O ATOM 1416 NE2 GLN A 94 3.698 -18.658 -36.488 1.00 0.00 N ATOM 0 H GLN A 94 3.071 -13.414 -39.355 1.00 0.00 H new ATOM 0 HA GLN A 94 2.947 -14.631 -36.724 1.00 0.00 H new ATOM 0 HB2 GLN A 94 1.712 -15.321 -38.872 1.00 0.00 H new ATOM 0 HB3 GLN A 94 3.246 -15.956 -39.434 1.00 0.00 H new ATOM 0 HG2 GLN A 94 2.031 -16.751 -36.762 1.00 0.00 H new ATOM 0 HG3 GLN A 94 1.662 -17.601 -38.250 1.00 0.00 H new ATOM 0 HE21 GLN A 94 2.912 -18.661 -35.838 1.00 0.00 H new ATOM 0 HE22 GLN A 94 4.505 -19.257 -36.315 1.00 0.00 H new ATOM 1425 N ILE A 95 5.227 -15.415 -36.274 1.00 0.00 N ATOM 1426 CA ILE A 95 6.575 -15.840 -35.934 1.00 0.00 C ATOM 1427 C ILE A 95 6.517 -16.855 -34.795 1.00 0.00 C ATOM 1428 O ILE A 95 5.779 -16.668 -33.826 1.00 0.00 O ATOM 1429 CB ILE A 95 7.411 -14.601 -35.580 1.00 0.00 C ATOM 1430 CG1 ILE A 95 8.872 -14.984 -35.331 1.00 0.00 C ATOM 1431 CG2 ILE A 95 6.850 -13.878 -34.355 1.00 0.00 C ATOM 1432 CD1 ILE A 95 9.758 -13.736 -35.289 1.00 0.00 C ATOM 0 H ILE A 95 4.577 -15.441 -35.488 1.00 0.00 H new ATOM 0 HA ILE A 95 7.054 -16.334 -36.779 1.00 0.00 H new ATOM 0 HB ILE A 95 7.361 -13.923 -36.432 1.00 0.00 H new ATOM 0 HG12 ILE A 95 8.956 -15.527 -34.390 1.00 0.00 H new ATOM 0 HG13 ILE A 95 9.217 -15.655 -36.118 1.00 0.00 H new ATOM 0 HG21 ILE A 95 7.466 -13.007 -34.133 1.00 0.00 H new ATOM 0 HG22 ILE A 95 5.828 -13.558 -34.558 1.00 0.00 H new ATOM 0 HG23 ILE A 95 6.856 -14.554 -33.500 1.00 0.00 H new ATOM 0 HD11 ILE A 95 10.792 -14.030 -35.111 1.00 0.00 H new ATOM 0 HD12 ILE A 95 9.689 -13.209 -36.241 1.00 0.00 H new ATOM 0 HD13 ILE A 95 9.424 -13.080 -34.485 1.00 0.00 H new ATOM 1444 N GLY A 96 7.288 -17.939 -34.893 1.00 0.00 N ATOM 1445 CA GLY A 96 7.267 -18.971 -33.871 1.00 0.00 C ATOM 1446 C GLY A 96 5.880 -19.604 -33.785 1.00 0.00 C ATOM 1447 O GLY A 96 5.445 -20.287 -34.710 1.00 0.00 O ATOM 0 H GLY A 96 7.928 -18.119 -35.666 1.00 0.00 H new ATOM 0 HA2 GLY A 96 8.009 -19.735 -34.101 1.00 0.00 H new ATOM 0 HA3 GLY A 96 7.539 -18.543 -32.906 1.00 0.00 H new ATOM 1451 N MET A 97 5.189 -19.375 -32.662 1.00 0.00 N ATOM 1452 CA MET A 97 3.867 -19.929 -32.400 1.00 0.00 C ATOM 1453 C MET A 97 2.830 -18.852 -32.061 1.00 0.00 C ATOM 1454 O MET A 97 1.753 -19.169 -31.554 1.00 0.00 O ATOM 1455 CB MET A 97 3.960 -21.051 -31.356 1.00 0.00 C ATOM 1456 CG MET A 97 4.833 -20.669 -30.161 1.00 0.00 C ATOM 1457 SD MET A 97 4.166 -19.346 -29.123 1.00 0.00 S ATOM 1458 CE MET A 97 5.699 -18.433 -28.818 1.00 0.00 C ATOM 0 H MET A 97 5.542 -18.791 -31.904 1.00 0.00 H new ATOM 0 HA MET A 97 3.495 -20.378 -33.321 1.00 0.00 H new ATOM 0 HB2 MET A 97 2.959 -21.300 -31.005 1.00 0.00 H new ATOM 0 HB3 MET A 97 4.365 -21.947 -31.826 1.00 0.00 H new ATOM 0 HG2 MET A 97 4.985 -21.554 -29.543 1.00 0.00 H new ATOM 0 HG3 MET A 97 5.813 -20.364 -30.528 1.00 0.00 H new ATOM 0 HE1 MET A 97 5.489 -17.569 -28.187 1.00 0.00 H new ATOM 0 HE2 MET A 97 6.416 -19.083 -28.316 1.00 0.00 H new ATOM 0 HE3 MET A 97 6.117 -18.096 -29.767 1.00 0.00 H new ATOM 1468 N LYS A 98 3.147 -17.582 -32.340 1.00 0.00 N ATOM 1469 CA LYS A 98 2.247 -16.445 -32.130 1.00 0.00 C ATOM 1470 C LYS A 98 2.424 -15.392 -33.225 1.00 0.00 C ATOM 1471 O LYS A 98 3.329 -15.496 -34.051 1.00 0.00 O ATOM 1472 CB LYS A 98 2.476 -15.821 -30.749 1.00 0.00 C ATOM 1473 CG LYS A 98 1.775 -16.615 -29.647 1.00 0.00 C ATOM 1474 CD LYS A 98 1.941 -15.899 -28.305 1.00 0.00 C ATOM 1475 CE LYS A 98 1.189 -16.629 -27.192 1.00 0.00 C ATOM 1476 NZ LYS A 98 1.694 -17.999 -26.994 1.00 0.00 N ATOM 0 H LYS A 98 4.052 -17.312 -32.725 1.00 0.00 H new ATOM 0 HA LYS A 98 1.224 -16.817 -32.179 1.00 0.00 H new ATOM 0 HB2 LYS A 98 3.545 -15.777 -30.542 1.00 0.00 H new ATOM 0 HB3 LYS A 98 2.109 -14.795 -30.748 1.00 0.00 H new ATOM 0 HG2 LYS A 98 0.716 -16.724 -29.882 1.00 0.00 H new ATOM 0 HG3 LYS A 98 2.194 -17.620 -29.588 1.00 0.00 H new ATOM 0 HD2 LYS A 98 2.999 -15.836 -28.052 1.00 0.00 H new ATOM 0 HD3 LYS A 98 1.572 -14.877 -28.387 1.00 0.00 H new ATOM 0 HE2 LYS A 98 1.284 -16.069 -26.262 1.00 0.00 H new ATOM 0 HE3 LYS A 98 0.127 -16.665 -27.435 1.00 0.00 H new ATOM 0 HZ1 LYS A 98 0.961 -18.683 -27.272 1.00 0.00 H new ATOM 0 HZ2 LYS A 98 2.542 -18.144 -27.578 1.00 0.00 H new ATOM 0 HZ3 LYS A 98 1.936 -18.138 -25.992 1.00 0.00 H new ATOM 1490 N ARG A 99 1.561 -14.376 -33.238 1.00 0.00 N ATOM 1491 CA ARG A 99 1.686 -13.251 -34.154 1.00 0.00 C ATOM 1492 C ARG A 99 2.142 -12.012 -33.392 1.00 0.00 C ATOM 1493 O ARG A 99 1.680 -11.771 -32.278 1.00 0.00 O ATOM 1494 CB ARG A 99 0.356 -13.003 -34.870 1.00 0.00 C ATOM 1495 CG ARG A 99 -0.007 -14.184 -35.769 1.00 0.00 C ATOM 1496 CD ARG A 99 -1.311 -13.889 -36.508 1.00 0.00 C ATOM 1497 NE ARG A 99 -1.669 -14.989 -37.413 1.00 0.00 N ATOM 1498 CZ ARG A 99 -1.384 -15.019 -38.721 1.00 0.00 C ATOM 1499 NH1 ARG A 99 -0.721 -14.025 -39.308 1.00 0.00 N ATOM 1500 NH2 ARG A 99 -1.769 -16.062 -39.455 1.00 0.00 N ATOM 0 H ARG A 99 0.757 -14.313 -32.613 1.00 0.00 H new ATOM 0 HA ARG A 99 2.436 -13.482 -34.910 1.00 0.00 H new ATOM 0 HB2 ARG A 99 -0.433 -12.844 -34.135 1.00 0.00 H new ATOM 0 HB3 ARG A 99 0.424 -12.094 -35.467 1.00 0.00 H new ATOM 0 HG2 ARG A 99 0.794 -14.368 -36.485 1.00 0.00 H new ATOM 0 HG3 ARG A 99 -0.114 -15.089 -35.171 1.00 0.00 H new ATOM 0 HD2 ARG A 99 -2.113 -13.732 -35.787 1.00 0.00 H new ATOM 0 HD3 ARG A 99 -1.209 -12.965 -37.077 1.00 0.00 H new ATOM 0 HE ARG A 99 -2.169 -15.785 -37.018 1.00 0.00 H new ATOM 0 HH11 ARG A 99 -0.419 -13.219 -38.760 1.00 0.00 H new ATOM 0 HH12 ARG A 99 -0.515 -14.069 -40.306 1.00 0.00 H new ATOM 0 HH21 ARG A 99 -2.278 -16.832 -39.020 1.00 0.00 H new ATOM 0 HH22 ARG A 99 -1.555 -16.091 -40.452 1.00 0.00 H new ATOM 1514 N LEU A 100 3.042 -11.226 -33.985 1.00 0.00 N ATOM 1515 CA LEU A 100 3.534 -10.005 -33.370 1.00 0.00 C ATOM 1516 C LEU A 100 2.422 -8.970 -33.246 1.00 0.00 C ATOM 1517 O LEU A 100 1.777 -8.619 -34.233 1.00 0.00 O ATOM 1518 CB LEU A 100 4.689 -9.431 -34.192 1.00 0.00 C ATOM 1519 CG LEU A 100 5.868 -10.402 -34.282 1.00 0.00 C ATOM 1520 CD1 LEU A 100 6.971 -9.776 -35.129 1.00 0.00 C ATOM 1521 CD2 LEU A 100 6.425 -10.702 -32.893 1.00 0.00 C ATOM 0 H LEU A 100 3.445 -11.422 -34.901 1.00 0.00 H new ATOM 0 HA LEU A 100 3.890 -10.249 -32.369 1.00 0.00 H new ATOM 0 HB2 LEU A 100 4.337 -9.195 -35.196 1.00 0.00 H new ATOM 0 HB3 LEU A 100 5.023 -8.496 -33.743 1.00 0.00 H new ATOM 0 HG LEU A 100 5.520 -11.331 -34.735 1.00 0.00 H new ATOM 0 HD11 LEU A 100 7.813 -10.464 -35.196 1.00 0.00 H new ATOM 0 HD12 LEU A 100 6.590 -9.571 -36.129 1.00 0.00 H new ATOM 0 HD13 LEU A 100 7.299 -8.845 -34.668 1.00 0.00 H new ATOM 0 HD21 LEU A 100 7.263 -11.394 -32.979 1.00 0.00 H new ATOM 0 HD22 LEU A 100 6.765 -9.776 -32.430 1.00 0.00 H new ATOM 0 HD23 LEU A 100 5.645 -11.150 -32.277 1.00 0.00 H new ATOM 1533 N LYS A 101 2.198 -8.477 -32.023 1.00 0.00 N ATOM 1534 CA LYS A 101 1.272 -7.382 -31.784 1.00 0.00 C ATOM 1535 C LYS A 101 2.028 -6.066 -31.959 1.00 0.00 C ATOM 1536 O LYS A 101 3.195 -5.974 -31.580 1.00 0.00 O ATOM 1537 CB LYS A 101 0.676 -7.525 -30.378 1.00 0.00 C ATOM 1538 CG LYS A 101 -0.278 -6.375 -30.030 1.00 0.00 C ATOM 1539 CD LYS A 101 -0.598 -6.360 -28.534 1.00 0.00 C ATOM 1540 CE LYS A 101 -1.238 -7.661 -28.042 1.00 0.00 C ATOM 1541 NZ LYS A 101 -2.562 -7.882 -28.656 1.00 0.00 N ATOM 0 H LYS A 101 2.654 -8.828 -31.181 1.00 0.00 H new ATOM 0 HA LYS A 101 0.445 -7.399 -32.494 1.00 0.00 H new ATOM 0 HB2 LYS A 101 0.141 -8.472 -30.307 1.00 0.00 H new ATOM 0 HB3 LYS A 101 1.483 -7.559 -29.646 1.00 0.00 H new ATOM 0 HG2 LYS A 101 0.172 -5.425 -30.319 1.00 0.00 H new ATOM 0 HG3 LYS A 101 -1.200 -6.478 -30.602 1.00 0.00 H new ATOM 0 HD2 LYS A 101 0.320 -6.180 -27.974 1.00 0.00 H new ATOM 0 HD3 LYS A 101 -1.270 -5.529 -28.321 1.00 0.00 H new ATOM 0 HE2 LYS A 101 -0.583 -8.500 -28.276 1.00 0.00 H new ATOM 0 HE3 LYS A 101 -1.340 -7.629 -26.957 1.00 0.00 H new ATOM 0 HZ1 LYS A 101 -2.988 -8.745 -28.262 1.00 0.00 H new ATOM 0 HZ2 LYS A 101 -3.178 -7.069 -28.454 1.00 0.00 H new ATOM 0 HZ3 LYS A 101 -2.454 -7.988 -29.685 1.00 0.00 H new ATOM 1555 N VAL A 102 1.369 -5.054 -32.525 1.00 0.00 N ATOM 1556 CA VAL A 102 1.931 -3.712 -32.636 1.00 0.00 C ATOM 1557 C VAL A 102 0.884 -2.673 -32.236 1.00 0.00 C ATOM 1558 O VAL A 102 -0.286 -2.824 -32.584 1.00 0.00 O ATOM 1559 CB VAL A 102 2.489 -3.460 -34.045 1.00 0.00 C ATOM 1560 CG1 VAL A 102 3.216 -2.119 -34.128 1.00 0.00 C ATOM 1561 CG2 VAL A 102 3.473 -4.553 -34.456 1.00 0.00 C ATOM 0 H VAL A 102 0.432 -5.144 -32.918 1.00 0.00 H new ATOM 0 HA VAL A 102 2.771 -3.622 -31.948 1.00 0.00 H new ATOM 0 HB VAL A 102 1.631 -3.458 -34.718 1.00 0.00 H new ATOM 0 HG11 VAL A 102 3.598 -1.974 -35.139 1.00 0.00 H new ATOM 0 HG12 VAL A 102 2.523 -1.314 -33.883 1.00 0.00 H new ATOM 0 HG13 VAL A 102 4.046 -2.111 -33.422 1.00 0.00 H new ATOM 0 HG21 VAL A 102 3.850 -4.346 -35.458 1.00 0.00 H new ATOM 0 HG22 VAL A 102 4.306 -4.576 -33.753 1.00 0.00 H new ATOM 0 HG23 VAL A 102 2.967 -5.518 -34.451 1.00 0.00 H new ATOM 1571 N GLN A 103 1.287 -1.622 -31.514 1.00 0.00 N ATOM 1572 CA GLN A 103 0.342 -0.641 -31.003 1.00 0.00 C ATOM 1573 C GLN A 103 0.985 0.744 -30.914 1.00 0.00 C ATOM 1574 O GLN A 103 2.195 0.861 -30.749 1.00 0.00 O ATOM 1575 CB GLN A 103 -0.139 -1.124 -29.633 1.00 0.00 C ATOM 1576 CG GLN A 103 -1.307 -0.310 -29.079 1.00 0.00 C ATOM 1577 CD GLN A 103 -1.298 -0.326 -27.557 1.00 0.00 C ATOM 1578 OE1 GLN A 103 -1.870 -1.211 -26.924 1.00 0.00 O ATOM 1579 NE2 GLN A 103 -0.635 0.654 -26.958 1.00 0.00 N ATOM 0 H GLN A 103 2.261 -1.435 -31.274 1.00 0.00 H new ATOM 0 HA GLN A 103 -0.507 -0.546 -31.680 1.00 0.00 H new ATOM 0 HB2 GLN A 103 -0.438 -2.169 -29.709 1.00 0.00 H new ATOM 0 HB3 GLN A 103 0.691 -1.080 -28.928 1.00 0.00 H new ATOM 0 HG2 GLN A 103 -1.243 0.717 -29.437 1.00 0.00 H new ATOM 0 HG3 GLN A 103 -2.248 -0.718 -29.447 1.00 0.00 H new ATOM 0 HE21 GLN A 103 -0.172 1.372 -27.516 1.00 0.00 H new ATOM 0 HE22 GLN A 103 -0.588 0.690 -25.940 1.00 0.00 H new ATOM 1588 N LEU A 104 0.175 1.798 -31.027 1.00 0.00 N ATOM 1589 CA LEU A 104 0.636 3.169 -30.882 1.00 0.00 C ATOM 1590 C LEU A 104 0.954 3.444 -29.407 1.00 0.00 C ATOM 1591 O LEU A 104 0.319 2.876 -28.517 1.00 0.00 O ATOM 1592 CB LEU A 104 -0.477 4.098 -31.382 1.00 0.00 C ATOM 1593 CG LEU A 104 0.032 5.241 -32.263 1.00 0.00 C ATOM 1594 CD1 LEU A 104 -1.172 6.000 -32.818 1.00 0.00 C ATOM 1595 CD2 LEU A 104 0.888 6.226 -31.478 1.00 0.00 C ATOM 0 H LEU A 104 -0.823 1.718 -31.223 1.00 0.00 H new ATOM 0 HA LEU A 104 1.542 3.340 -31.463 1.00 0.00 H new ATOM 0 HB2 LEU A 104 -1.203 3.512 -31.945 1.00 0.00 H new ATOM 0 HB3 LEU A 104 -1.002 4.517 -30.524 1.00 0.00 H new ATOM 0 HG LEU A 104 0.641 4.808 -33.057 1.00 0.00 H new ATOM 0 HD11 LEU A 104 -0.827 6.819 -33.449 1.00 0.00 H new ATOM 0 HD12 LEU A 104 -1.789 5.322 -33.408 1.00 0.00 H new ATOM 0 HD13 LEU A 104 -1.761 6.401 -31.993 1.00 0.00 H new ATOM 0 HD21 LEU A 104 1.229 7.021 -32.141 1.00 0.00 H new ATOM 0 HD22 LEU A 104 0.298 6.656 -30.669 1.00 0.00 H new ATOM 0 HD23 LEU A 104 1.751 5.707 -31.061 1.00 0.00 H new ATOM 1607 N LYS A 105 1.930 4.313 -29.144 1.00 0.00 N ATOM 1608 CA LYS A 105 2.245 4.782 -27.797 1.00 0.00 C ATOM 1609 C LYS A 105 1.075 5.612 -27.261 1.00 0.00 C ATOM 1610 O LYS A 105 0.231 6.068 -28.034 1.00 0.00 O ATOM 1611 CB LYS A 105 3.546 5.598 -27.850 1.00 0.00 C ATOM 1612 CG LYS A 105 3.927 6.198 -26.490 1.00 0.00 C ATOM 1613 CD LYS A 105 5.266 6.925 -26.573 1.00 0.00 C ATOM 1614 CE LYS A 105 5.583 7.549 -25.211 1.00 0.00 C ATOM 1615 NZ LYS A 105 6.828 8.334 -25.264 1.00 0.00 N ATOM 0 H LYS A 105 2.528 4.714 -29.866 1.00 0.00 H new ATOM 0 HA LYS A 105 2.394 3.942 -27.119 1.00 0.00 H new ATOM 0 HB2 LYS A 105 4.357 4.959 -28.200 1.00 0.00 H new ATOM 0 HB3 LYS A 105 3.436 6.401 -28.579 1.00 0.00 H new ATOM 0 HG2 LYS A 105 3.152 6.891 -26.163 1.00 0.00 H new ATOM 0 HG3 LYS A 105 3.983 5.407 -25.742 1.00 0.00 H new ATOM 0 HD2 LYS A 105 6.054 6.229 -26.860 1.00 0.00 H new ATOM 0 HD3 LYS A 105 5.227 7.698 -27.341 1.00 0.00 H new ATOM 0 HE2 LYS A 105 4.758 8.190 -24.901 1.00 0.00 H new ATOM 0 HE3 LYS A 105 5.676 6.764 -24.461 1.00 0.00 H new ATOM 0 HZ1 LYS A 105 7.082 8.646 -24.305 1.00 0.00 H new ATOM 0 HZ2 LYS A 105 7.593 7.746 -25.651 1.00 0.00 H new ATOM 0 HZ3 LYS A 105 6.689 9.165 -25.873 1.00 0.00 H new