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 79 ASN :FLIP amide:sc= 0.525 F(o=0.39,f=1.1) USER MOD Set 1.2: A 82 SER OG : rot 100:sc= 0.577 USER MOD Single : A 30 ASN : amide:sc= -0.242 K(o=-0.24,f=-4.8!) USER MOD Single : A 34 TYR OH : rot 61:sc= 2.06 USER MOD Single : A 35 HIS : no HE2:sc= 0.165 K(o=0.16,f=-4!) USER MOD Single : A 38 GLN : amide:sc= 0.576 K(o=0.58,f=-0.02) USER MOD Single : A 43 GLN : amide:sc= 0 X(o=0,f=-0.44) USER MOD Single : A 47 GLN : amide:sc= -0.072 K(o=-0.072,f=-1.2) USER MOD Single : A 48 MET CE :methyl 168:sc= 0 (180deg=-0.138) USER MOD Single : A 50 MET CE :methyl -177:sc= -0.113 (180deg=-0.139) USER MOD Single : A 54 ASN : amide:sc= -0.429 X(o=-0.43,f=0) USER MOD Single : A 57 SER OG : rot 180:sc= 0 USER MOD Single : A 59 LYS NZ :NH3+ -166:sc= -0.0325 (180deg=-0.275) USER MOD Single : A 64 LYS NZ :NH3+ -170:sc=-0.00369 (180deg=-0.0964) USER MOD Single : A 65 GLN : amide:sc= 0.826 K(o=0.83,f=-0.032) USER MOD Single : A 66 THR OG1 : rot 180:sc= 0.0818 USER MOD Single : A 67 ASN : amide:sc= 0 K(o=0,f=-1.1) USER MOD Single : A 69 SER OG : rot 180:sc= 0 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 180:sc= 0 USER MOD Single : A 77 TYR OH : rot -151:sc= 0.427 USER MOD Single : A 84 GLN : amide:sc= -0.235 X(o=-0.24,f=-0.7) USER MOD Single : A 88 GLN : amide:sc= 0 K(o=0,f=-0.85) USER MOD Single : A 90 MET CE :methyl -175:sc= -0.616 (180deg=-0.741) USER MOD Single : A 91 ASN : amide:sc= -0.0422 K(o=-0.042,f=-1.7!) USER MOD Single : A 94 GLN : amide:sc= 0 K(o=0,f=-0.83) USER MOD Single : A 97 MET CE :methyl 164:sc= -0.0405 (180deg=-0.351) USER MOD Single : A 98 LYS NZ :NH3+ -175:sc= 0 (180deg=-0.0323) USER MOD Single : A 101 LYS NZ :NH3+ -173:sc= 0 (180deg=-0.0656) USER MOD Single : A 103 GLN :FLIP amide:sc= -0.033 F(o=-0.82,f=-0.033) USER MOD Single : A 105 LYS NZ :NH3+ -126:sc= 0.444 (180deg=0.112) USER MOD ----------------------------------------------------------------- ATOM 344 N GLU A 24 12.518 10.633 -29.247 1.00 0.00 N ATOM 345 CA GLU A 24 11.159 10.389 -29.707 1.00 0.00 C ATOM 346 C GLU A 24 10.735 11.438 -30.727 1.00 0.00 C ATOM 347 O GLU A 24 11.268 12.549 -30.746 1.00 0.00 O ATOM 348 CB GLU A 24 10.197 10.396 -28.519 1.00 0.00 C ATOM 349 CG GLU A 24 10.575 9.329 -27.496 1.00 0.00 C ATOM 350 CD GLU A 24 9.488 9.133 -26.441 1.00 0.00 C ATOM 351 OE1 GLU A 24 8.531 9.942 -26.428 1.00 0.00 O ATOM 352 OE2 GLU A 24 9.623 8.173 -25.653 1.00 0.00 O ATOM 0 HA GLU A 24 11.129 9.411 -30.188 1.00 0.00 H new ATOM 0 HB2 GLU A 24 10.207 11.378 -28.045 1.00 0.00 H new ATOM 0 HB3 GLU A 24 9.180 10.222 -28.870 1.00 0.00 H new ATOM 0 HG2 GLU A 24 10.757 8.384 -28.009 1.00 0.00 H new ATOM 0 HG3 GLU A 24 11.508 9.611 -27.007 1.00 0.00 H new ATOM 359 N GLY A 25 9.772 11.077 -31.576 1.00 0.00 N ATOM 360 CA GLY A 25 9.243 11.962 -32.603 1.00 0.00 C ATOM 361 C GLY A 25 8.004 12.713 -32.127 1.00 0.00 C ATOM 362 O GLY A 25 7.736 12.780 -30.928 1.00 0.00 O ATOM 0 H GLY A 25 9.337 10.154 -31.567 1.00 0.00 H new ATOM 0 HA2 GLY A 25 10.011 12.678 -32.895 1.00 0.00 H new ATOM 0 HA3 GLY A 25 8.995 11.380 -33.491 1.00 0.00 H new ATOM 366 N PRO A 26 7.245 13.286 -33.072 1.00 0.00 N ATOM 367 CA PRO A 26 6.000 13.986 -32.816 1.00 0.00 C ATOM 368 C PRO A 26 4.919 13.006 -32.366 1.00 0.00 C ATOM 369 O PRO A 26 5.136 11.795 -32.328 1.00 0.00 O ATOM 370 CB PRO A 26 5.641 14.650 -34.150 1.00 0.00 C ATOM 371 CG PRO A 26 6.260 13.708 -35.181 1.00 0.00 C ATOM 372 CD PRO A 26 7.547 13.269 -34.493 1.00 0.00 C ATOM 0 HA PRO A 26 6.090 14.721 -32.016 1.00 0.00 H new ATOM 0 HB2 PRO A 26 4.562 14.737 -34.280 1.00 0.00 H new ATOM 0 HB3 PRO A 26 6.054 15.656 -34.224 1.00 0.00 H new ATOM 0 HG2 PRO A 26 5.608 12.862 -35.401 1.00 0.00 H new ATOM 0 HG3 PRO A 26 6.457 14.213 -36.126 1.00 0.00 H new ATOM 0 HD2 PRO A 26 7.848 12.274 -34.820 1.00 0.00 H new ATOM 0 HD3 PRO A 26 8.370 13.944 -34.729 1.00 0.00 H new ATOM 380 N GLU A 27 3.737 13.524 -32.023 1.00 0.00 N ATOM 381 CA GLU A 27 2.639 12.693 -31.557 1.00 0.00 C ATOM 382 C GLU A 27 2.242 11.660 -32.613 1.00 0.00 C ATOM 383 O GLU A 27 2.110 11.979 -33.793 1.00 0.00 O ATOM 384 CB GLU A 27 1.453 13.587 -31.178 1.00 0.00 C ATOM 385 CG GLU A 27 0.247 12.755 -30.727 1.00 0.00 C ATOM 386 CD GLU A 27 -0.933 13.636 -30.308 1.00 0.00 C ATOM 387 OE1 GLU A 27 -1.997 13.049 -30.006 1.00 0.00 O ATOM 388 OE2 GLU A 27 -0.774 14.879 -30.293 1.00 0.00 O ATOM 0 H GLU A 27 3.522 14.520 -32.062 1.00 0.00 H new ATOM 0 HA GLU A 27 2.960 12.139 -30.675 1.00 0.00 H new ATOM 0 HB2 GLU A 27 1.748 14.266 -30.378 1.00 0.00 H new ATOM 0 HB3 GLU A 27 1.173 14.204 -32.032 1.00 0.00 H new ATOM 0 HG2 GLU A 27 -0.063 12.096 -31.538 1.00 0.00 H new ATOM 0 HG3 GLU A 27 0.538 12.118 -29.892 1.00 0.00 H new ATOM 395 N GLY A 28 2.050 10.412 -32.174 1.00 0.00 N ATOM 396 CA GLY A 28 1.611 9.320 -33.031 1.00 0.00 C ATOM 397 C GLY A 28 2.747 8.722 -33.859 1.00 0.00 C ATOM 398 O GLY A 28 2.514 7.792 -34.628 1.00 0.00 O ATOM 0 H GLY A 28 2.198 10.135 -31.204 1.00 0.00 H new ATOM 0 HA2 GLY A 28 1.166 8.538 -32.416 1.00 0.00 H new ATOM 0 HA3 GLY A 28 0.831 9.681 -33.701 1.00 0.00 H new ATOM 402 N ALA A 29 3.971 9.243 -33.711 1.00 0.00 N ATOM 403 CA ALA A 29 5.128 8.739 -34.438 1.00 0.00 C ATOM 404 C ALA A 29 5.868 7.651 -33.662 1.00 0.00 C ATOM 405 O ALA A 29 6.867 7.128 -34.148 1.00 0.00 O ATOM 406 CB ALA A 29 6.055 9.912 -34.756 1.00 0.00 C ATOM 0 H ALA A 29 4.180 10.021 -33.086 1.00 0.00 H new ATOM 0 HA ALA A 29 4.785 8.275 -35.363 1.00 0.00 H new ATOM 0 HB1 ALA A 29 6.927 9.550 -35.301 1.00 0.00 H new ATOM 0 HB2 ALA A 29 5.523 10.641 -35.367 1.00 0.00 H new ATOM 0 HB3 ALA A 29 6.378 10.383 -33.827 1.00 0.00 H new ATOM 412 N ASN A 30 5.400 7.306 -32.460 1.00 0.00 N ATOM 413 CA ASN A 30 6.060 6.328 -31.603 1.00 0.00 C ATOM 414 C ASN A 30 5.238 5.041 -31.578 1.00 0.00 C ATOM 415 O ASN A 30 4.011 5.102 -31.635 1.00 0.00 O ATOM 416 CB ASN A 30 6.228 6.930 -30.205 1.00 0.00 C ATOM 417 CG ASN A 30 6.897 8.298 -30.273 1.00 0.00 C ATOM 418 OD1 ASN A 30 8.035 8.421 -30.713 1.00 0.00 O ATOM 419 ND2 ASN A 30 6.194 9.337 -29.838 1.00 0.00 N ATOM 0 H ASN A 30 4.550 7.700 -32.056 1.00 0.00 H new ATOM 0 HA ASN A 30 7.050 6.080 -31.987 1.00 0.00 H new ATOM 0 HB2 ASN A 30 5.253 7.022 -29.726 1.00 0.00 H new ATOM 0 HB3 ASN A 30 6.825 6.260 -29.587 1.00 0.00 H new ATOM 0 HD21 ASN A 30 6.598 10.273 -29.864 1.00 0.00 H new ATOM 0 HD22 ASN A 30 5.250 9.199 -29.478 1.00 0.00 H new ATOM 426 N LEU A 31 5.897 3.882 -31.487 1.00 0.00 N ATOM 427 CA LEU A 31 5.217 2.591 -31.573 1.00 0.00 C ATOM 428 C LEU A 31 5.595 1.610 -30.461 1.00 0.00 C ATOM 429 O LEU A 31 6.716 1.613 -29.952 1.00 0.00 O ATOM 430 CB LEU A 31 5.545 1.908 -32.908 1.00 0.00 C ATOM 431 CG LEU A 31 5.207 2.726 -34.155 1.00 0.00 C ATOM 432 CD1 LEU A 31 5.557 1.881 -35.379 1.00 0.00 C ATOM 433 CD2 LEU A 31 3.715 3.043 -34.220 1.00 0.00 C ATOM 0 H LEU A 31 6.906 3.814 -31.353 1.00 0.00 H new ATOM 0 HA LEU A 31 4.156 2.823 -31.477 1.00 0.00 H new ATOM 0 HB2 LEU A 31 6.609 1.671 -32.925 1.00 0.00 H new ATOM 0 HB3 LEU A 31 5.006 0.962 -32.956 1.00 0.00 H new ATOM 0 HG LEU A 31 5.767 3.661 -34.125 1.00 0.00 H new ATOM 0 HD11 LEU A 31 5.326 2.440 -36.285 1.00 0.00 H new ATOM 0 HD12 LEU A 31 6.620 1.640 -35.363 1.00 0.00 H new ATOM 0 HD13 LEU A 31 4.975 0.959 -35.363 1.00 0.00 H new ATOM 0 HD21 LEU A 31 3.506 3.625 -35.117 1.00 0.00 H new ATOM 0 HD22 LEU A 31 3.146 2.113 -34.250 1.00 0.00 H new ATOM 0 HD23 LEU A 31 3.426 3.617 -33.339 1.00 0.00 H new ATOM 445 N PHE A 32 4.624 0.767 -30.110 1.00 0.00 N ATOM 446 CA PHE A 32 4.778 -0.409 -29.270 1.00 0.00 C ATOM 447 C PHE A 32 4.916 -1.696 -30.073 1.00 0.00 C ATOM 448 O PHE A 32 4.252 -1.846 -31.097 1.00 0.00 O ATOM 449 CB PHE A 32 3.629 -0.543 -28.271 1.00 0.00 C ATOM 450 CG PHE A 32 3.735 0.223 -26.972 1.00 0.00 C ATOM 451 CD1 PHE A 32 2.860 1.285 -26.719 1.00 0.00 C ATOM 452 CD2 PHE A 32 4.681 -0.150 -26.006 1.00 0.00 C ATOM 453 CE1 PHE A 32 2.930 1.980 -25.509 1.00 0.00 C ATOM 454 CE2 PHE A 32 4.738 0.533 -24.783 1.00 0.00 C ATOM 455 CZ PHE A 32 3.880 1.613 -24.548 1.00 0.00 C ATOM 0 H PHE A 32 3.662 0.897 -30.423 1.00 0.00 H new ATOM 0 HA PHE A 32 5.708 -0.259 -28.722 1.00 0.00 H new ATOM 0 HB2 PHE A 32 2.712 -0.231 -28.771 1.00 0.00 H new ATOM 0 HB3 PHE A 32 3.516 -1.600 -28.029 1.00 0.00 H new ATOM 0 HD1 PHE A 32 2.128 1.568 -27.461 1.00 0.00 H new ATOM 0 HD2 PHE A 32 5.365 -0.962 -26.204 1.00 0.00 H new ATOM 0 HE1 PHE A 32 2.253 2.799 -25.315 1.00 0.00 H new ATOM 0 HE2 PHE A 32 5.442 0.226 -24.024 1.00 0.00 H new ATOM 0 HZ PHE A 32 3.951 2.165 -23.623 1.00 0.00 H new ATOM 465 N ILE A 33 5.758 -2.629 -29.626 1.00 0.00 N ATOM 466 CA ILE A 33 5.911 -3.915 -30.291 1.00 0.00 C ATOM 467 C ILE A 33 5.991 -5.000 -29.226 1.00 0.00 C ATOM 468 O ILE A 33 6.771 -4.864 -28.288 1.00 0.00 O ATOM 469 CB ILE A 33 7.172 -3.925 -31.166 1.00 0.00 C ATOM 470 CG1 ILE A 33 7.246 -2.744 -32.142 1.00 0.00 C ATOM 471 CG2 ILE A 33 7.210 -5.227 -31.968 1.00 0.00 C ATOM 472 CD1 ILE A 33 7.937 -1.523 -31.529 1.00 0.00 C ATOM 0 H ILE A 33 6.346 -2.513 -28.801 1.00 0.00 H new ATOM 0 HA ILE A 33 5.056 -4.097 -30.942 1.00 0.00 H new ATOM 0 HB ILE A 33 8.025 -3.840 -30.493 1.00 0.00 H new ATOM 0 HG12 ILE A 33 7.784 -3.051 -33.039 1.00 0.00 H new ATOM 0 HG13 ILE A 33 6.238 -2.470 -32.453 1.00 0.00 H new ATOM 0 HG21 ILE A 33 8.103 -5.243 -32.593 1.00 0.00 H new ATOM 0 HG22 ILE A 33 7.230 -6.075 -31.284 1.00 0.00 H new ATOM 0 HG23 ILE A 33 6.324 -5.291 -32.599 1.00 0.00 H new ATOM 0 HD11 ILE A 33 7.964 -0.715 -32.260 1.00 0.00 H new ATOM 0 HD12 ILE A 33 7.385 -1.197 -30.648 1.00 0.00 H new ATOM 0 HD13 ILE A 33 8.955 -1.787 -31.242 1.00 0.00 H new ATOM 484 N TYR A 34 5.195 -6.067 -29.358 1.00 0.00 N ATOM 485 CA TYR A 34 5.158 -7.140 -28.373 1.00 0.00 C ATOM 486 C TYR A 34 5.198 -8.474 -29.121 1.00 0.00 C ATOM 487 O TYR A 34 5.241 -8.518 -30.350 1.00 0.00 O ATOM 488 CB TYR A 34 3.850 -7.047 -27.582 1.00 0.00 C ATOM 489 CG TYR A 34 3.451 -5.665 -27.105 1.00 0.00 C ATOM 490 CD1 TYR A 34 4.023 -5.123 -25.945 1.00 0.00 C ATOM 491 CD2 TYR A 34 2.486 -4.935 -27.812 1.00 0.00 C ATOM 492 CE1 TYR A 34 3.622 -3.864 -25.478 1.00 0.00 C ATOM 493 CE2 TYR A 34 2.063 -3.682 -27.342 1.00 0.00 C ATOM 494 CZ TYR A 34 2.625 -3.149 -26.165 1.00 0.00 C ATOM 495 OH TYR A 34 2.195 -1.943 -25.695 1.00 0.00 O ATOM 0 H TYR A 34 4.564 -6.206 -30.147 1.00 0.00 H new ATOM 0 HA TYR A 34 6.004 -7.061 -27.690 1.00 0.00 H new ATOM 0 HB2 TYR A 34 3.045 -7.440 -28.204 1.00 0.00 H new ATOM 0 HB3 TYR A 34 3.929 -7.700 -26.713 1.00 0.00 H new ATOM 0 HD1 TYR A 34 4.777 -5.679 -25.408 1.00 0.00 H new ATOM 0 HD2 TYR A 34 2.066 -5.338 -28.722 1.00 0.00 H new ATOM 0 HE1 TYR A 34 4.077 -3.444 -24.593 1.00 0.00 H new ATOM 0 HE2 TYR A 34 1.309 -3.128 -27.881 1.00 0.00 H new ATOM 0 HH TYR A 34 2.945 -1.313 -25.676 1.00 0.00 H new ATOM 505 N HIS A 35 5.176 -9.564 -28.346 1.00 0.00 N ATOM 506 CA HIS A 35 5.212 -10.948 -28.815 1.00 0.00 C ATOM 507 C HIS A 35 6.519 -11.305 -29.528 1.00 0.00 C ATOM 508 O HIS A 35 6.588 -12.322 -30.217 1.00 0.00 O ATOM 509 CB HIS A 35 3.989 -11.275 -29.678 1.00 0.00 C ATOM 510 CG HIS A 35 2.641 -10.946 -29.077 1.00 0.00 C ATOM 511 ND1 HIS A 35 1.420 -11.181 -29.686 1.00 0.00 N ATOM 512 CD2 HIS A 35 2.391 -10.368 -27.865 1.00 0.00 C ATOM 513 CE1 HIS A 35 0.449 -10.764 -28.857 1.00 0.00 C ATOM 514 NE2 HIS A 35 1.022 -10.258 -27.747 1.00 0.00 N ATOM 0 H HIS A 35 5.131 -9.499 -27.329 1.00 0.00 H new ATOM 0 HA HIS A 35 5.173 -11.576 -27.925 1.00 0.00 H new ATOM 0 HB2 HIS A 35 4.083 -10.739 -30.623 1.00 0.00 H new ATOM 0 HB3 HIS A 35 4.009 -12.339 -29.912 1.00 0.00 H new ATOM 0 HD1 HIS A 35 1.282 -11.599 -30.606 1.00 0.00 H new ATOM 0 HD2 HIS A 35 3.126 -10.056 -27.138 1.00 0.00 H new ATOM 0 HE1 HIS A 35 -0.612 -10.824 -29.048 1.00 0.00 H new ATOM 523 N LEU A 36 7.559 -10.482 -29.370 1.00 0.00 N ATOM 524 CA LEU A 36 8.855 -10.735 -29.980 1.00 0.00 C ATOM 525 C LEU A 36 9.531 -11.925 -29.297 1.00 0.00 C ATOM 526 O LEU A 36 9.464 -12.052 -28.076 1.00 0.00 O ATOM 527 CB LEU A 36 9.746 -9.496 -29.837 1.00 0.00 C ATOM 528 CG LEU A 36 9.175 -8.266 -30.558 1.00 0.00 C ATOM 529 CD1 LEU A 36 9.990 -7.033 -30.173 1.00 0.00 C ATOM 530 CD2 LEU A 36 9.250 -8.448 -32.070 1.00 0.00 C ATOM 0 H LEU A 36 7.521 -9.626 -28.817 1.00 0.00 H new ATOM 0 HA LEU A 36 8.709 -10.960 -31.037 1.00 0.00 H new ATOM 0 HB2 LEU A 36 9.873 -9.265 -28.779 1.00 0.00 H new ATOM 0 HB3 LEU A 36 10.736 -9.718 -30.235 1.00 0.00 H new ATOM 0 HG LEU A 36 8.133 -8.143 -30.263 1.00 0.00 H new ATOM 0 HD11 LEU A 36 9.588 -6.157 -30.683 1.00 0.00 H new ATOM 0 HD12 LEU A 36 9.935 -6.882 -29.095 1.00 0.00 H new ATOM 0 HD13 LEU A 36 11.030 -7.178 -30.466 1.00 0.00 H new ATOM 0 HD21 LEU A 36 8.841 -7.566 -32.563 1.00 0.00 H new ATOM 0 HD22 LEU A 36 10.290 -8.582 -32.369 1.00 0.00 H new ATOM 0 HD23 LEU A 36 8.673 -9.326 -32.360 1.00 0.00 H new ATOM 542 N PRO A 37 10.187 -12.803 -30.066 1.00 0.00 N ATOM 543 CA PRO A 37 11.000 -13.883 -29.538 1.00 0.00 C ATOM 544 C PRO A 37 12.317 -13.327 -28.990 1.00 0.00 C ATOM 545 O PRO A 37 12.682 -12.188 -29.276 1.00 0.00 O ATOM 546 CB PRO A 37 11.219 -14.826 -30.716 1.00 0.00 C ATOM 547 CG PRO A 37 11.211 -13.877 -31.911 1.00 0.00 C ATOM 548 CD PRO A 37 10.194 -12.807 -31.516 1.00 0.00 C ATOM 0 HA PRO A 37 10.526 -14.405 -28.707 1.00 0.00 H new ATOM 0 HB2 PRO A 37 12.163 -15.365 -30.633 1.00 0.00 H new ATOM 0 HB3 PRO A 37 10.430 -15.574 -30.788 1.00 0.00 H new ATOM 0 HG2 PRO A 37 12.197 -13.447 -32.088 1.00 0.00 H new ATOM 0 HG3 PRO A 37 10.918 -14.389 -32.827 1.00 0.00 H new ATOM 0 HD2 PRO A 37 10.476 -11.831 -31.911 1.00 0.00 H new ATOM 0 HD3 PRO A 37 9.206 -13.038 -31.914 1.00 0.00 H new ATOM 556 N GLN A 38 13.037 -14.128 -28.202 1.00 0.00 N ATOM 557 CA GLN A 38 14.251 -13.678 -27.531 1.00 0.00 C ATOM 558 C GLN A 38 15.429 -13.499 -28.489 1.00 0.00 C ATOM 559 O GLN A 38 16.476 -12.998 -28.078 1.00 0.00 O ATOM 560 CB GLN A 38 14.620 -14.649 -26.406 1.00 0.00 C ATOM 561 CG GLN A 38 13.679 -14.474 -25.214 1.00 0.00 C ATOM 562 CD GLN A 38 14.148 -15.288 -24.013 1.00 0.00 C ATOM 563 OE1 GLN A 38 14.474 -16.465 -24.135 1.00 0.00 O ATOM 564 NE2 GLN A 38 14.185 -14.668 -22.837 1.00 0.00 N ATOM 0 H GLN A 38 12.794 -15.101 -28.014 1.00 0.00 H new ATOM 0 HA GLN A 38 14.038 -12.695 -27.112 1.00 0.00 H new ATOM 0 HB2 GLN A 38 14.566 -15.675 -26.771 1.00 0.00 H new ATOM 0 HB3 GLN A 38 15.649 -14.476 -26.092 1.00 0.00 H new ATOM 0 HG2 GLN A 38 13.625 -13.420 -24.943 1.00 0.00 H new ATOM 0 HG3 GLN A 38 12.672 -14.783 -25.495 1.00 0.00 H new ATOM 0 HE21 GLN A 38 13.908 -13.689 -22.768 1.00 0.00 H new ATOM 0 HE22 GLN A 38 14.491 -15.172 -22.004 1.00 0.00 H new ATOM 573 N GLU A 39 15.278 -13.898 -29.754 1.00 0.00 N ATOM 574 CA GLU A 39 16.329 -13.702 -30.750 1.00 0.00 C ATOM 575 C GLU A 39 16.379 -12.239 -31.206 1.00 0.00 C ATOM 576 O GLU A 39 17.315 -11.851 -31.901 1.00 0.00 O ATOM 577 CB GLU A 39 16.124 -14.666 -31.920 1.00 0.00 C ATOM 578 CG GLU A 39 14.752 -14.481 -32.573 1.00 0.00 C ATOM 579 CD GLU A 39 14.544 -15.438 -33.750 1.00 0.00 C ATOM 580 OE1 GLU A 39 15.500 -16.169 -34.100 1.00 0.00 O ATOM 581 OE2 GLU A 39 13.421 -15.428 -34.297 1.00 0.00 O ATOM 0 H GLU A 39 14.440 -14.357 -30.110 1.00 0.00 H new ATOM 0 HA GLU A 39 17.297 -13.926 -30.301 1.00 0.00 H new ATOM 0 HB2 GLU A 39 16.905 -14.507 -32.663 1.00 0.00 H new ATOM 0 HB3 GLU A 39 16.224 -15.693 -31.567 1.00 0.00 H new ATOM 0 HG2 GLU A 39 13.972 -14.645 -31.830 1.00 0.00 H new ATOM 0 HG3 GLU A 39 14.651 -13.453 -32.920 1.00 0.00 H new ATOM 588 N PHE A 40 15.385 -11.428 -30.820 1.00 0.00 N ATOM 589 CA PHE A 40 15.401 -9.993 -31.059 1.00 0.00 C ATOM 590 C PHE A 40 16.317 -9.192 -30.139 1.00 0.00 C ATOM 591 O PHE A 40 16.662 -9.643 -29.049 1.00 0.00 O ATOM 592 CB PHE A 40 13.992 -9.389 -31.148 1.00 0.00 C ATOM 593 CG PHE A 40 13.276 -9.603 -32.469 1.00 0.00 C ATOM 594 CD1 PHE A 40 12.835 -8.498 -33.217 1.00 0.00 C ATOM 595 CD2 PHE A 40 13.046 -10.898 -32.946 1.00 0.00 C ATOM 596 CE1 PHE A 40 12.157 -8.693 -34.431 1.00 0.00 C ATOM 597 CE2 PHE A 40 12.380 -11.095 -34.162 1.00 0.00 C ATOM 598 CZ PHE A 40 11.932 -9.994 -34.904 1.00 0.00 C ATOM 0 H PHE A 40 14.550 -11.756 -30.334 1.00 0.00 H new ATOM 0 HA PHE A 40 15.857 -9.899 -32.045 1.00 0.00 H new ATOM 0 HB2 PHE A 40 13.382 -9.813 -30.350 1.00 0.00 H new ATOM 0 HB3 PHE A 40 14.062 -8.317 -30.961 1.00 0.00 H new ATOM 0 HD1 PHE A 40 13.018 -7.496 -32.857 1.00 0.00 H new ATOM 0 HD2 PHE A 40 13.384 -11.750 -32.374 1.00 0.00 H new ATOM 0 HE1 PHE A 40 11.809 -7.843 -34.999 1.00 0.00 H new ATOM 0 HE2 PHE A 40 12.211 -12.097 -34.528 1.00 0.00 H new ATOM 0 HZ PHE A 40 11.414 -10.147 -35.839 1.00 0.00 H new ATOM 608 N GLY A 41 16.705 -8.001 -30.589 1.00 0.00 N ATOM 609 CA GLY A 41 17.548 -7.097 -29.824 1.00 0.00 C ATOM 610 C GLY A 41 17.364 -5.672 -30.325 1.00 0.00 C ATOM 611 O GLY A 41 16.648 -5.442 -31.297 1.00 0.00 O ATOM 0 H GLY A 41 16.439 -7.637 -31.504 1.00 0.00 H new ATOM 0 HA2 GLY A 41 17.293 -7.156 -28.766 1.00 0.00 H new ATOM 0 HA3 GLY A 41 18.593 -7.393 -29.917 1.00 0.00 H new ATOM 615 N ASP A 42 18.006 -4.706 -29.665 1.00 0.00 N ATOM 616 CA ASP A 42 17.853 -3.301 -30.011 1.00 0.00 C ATOM 617 C ASP A 42 18.197 -2.958 -31.463 1.00 0.00 C ATOM 618 O ASP A 42 17.495 -2.179 -32.104 1.00 0.00 O ATOM 619 CB ASP A 42 18.631 -2.410 -29.036 1.00 0.00 C ATOM 620 CG ASP A 42 20.059 -2.872 -28.739 1.00 0.00 C ATOM 621 OD1 ASP A 42 20.658 -2.283 -27.814 1.00 0.00 O ATOM 622 OD2 ASP A 42 20.549 -3.799 -29.423 1.00 0.00 O ATOM 0 H ASP A 42 18.639 -4.878 -28.884 1.00 0.00 H new ATOM 0 HA ASP A 42 16.787 -3.097 -29.916 1.00 0.00 H new ATOM 0 HB2 ASP A 42 18.669 -1.399 -29.442 1.00 0.00 H new ATOM 0 HB3 ASP A 42 18.080 -2.356 -28.097 1.00 0.00 H new ATOM 627 N GLN A 43 19.279 -3.545 -31.978 1.00 0.00 N ATOM 628 CA GLN A 43 19.693 -3.329 -33.356 1.00 0.00 C ATOM 629 C GLN A 43 18.883 -4.203 -34.314 1.00 0.00 C ATOM 630 O GLN A 43 18.709 -3.857 -35.482 1.00 0.00 O ATOM 631 CB GLN A 43 21.182 -3.629 -33.477 1.00 0.00 C ATOM 632 CG GLN A 43 21.704 -3.169 -34.839 1.00 0.00 C ATOM 633 CD GLN A 43 23.226 -3.095 -34.876 1.00 0.00 C ATOM 634 OE1 GLN A 43 23.918 -3.767 -34.114 1.00 0.00 O ATOM 635 NE2 GLN A 43 23.760 -2.273 -35.773 1.00 0.00 N ATOM 0 H GLN A 43 19.884 -4.177 -31.454 1.00 0.00 H new ATOM 0 HA GLN A 43 19.508 -2.290 -33.629 1.00 0.00 H new ATOM 0 HB2 GLN A 43 21.728 -3.124 -32.680 1.00 0.00 H new ATOM 0 HB3 GLN A 43 21.356 -4.698 -33.355 1.00 0.00 H new ATOM 0 HG2 GLN A 43 21.356 -3.856 -35.611 1.00 0.00 H new ATOM 0 HG3 GLN A 43 21.288 -2.189 -35.074 1.00 0.00 H new ATOM 0 HE21 GLN A 43 23.156 -1.730 -36.390 1.00 0.00 H new ATOM 0 HE22 GLN A 43 24.774 -2.185 -35.845 1.00 0.00 H new ATOM 644 N ASP A 44 18.380 -5.341 -33.831 1.00 0.00 N ATOM 645 CA ASP A 44 17.571 -6.228 -34.653 1.00 0.00 C ATOM 646 C ASP A 44 16.159 -5.716 -34.915 1.00 0.00 C ATOM 647 O ASP A 44 15.640 -5.880 -36.018 1.00 0.00 O ATOM 648 CB ASP A 44 17.569 -7.644 -34.083 1.00 0.00 C ATOM 649 CG ASP A 44 18.908 -8.363 -34.270 1.00 0.00 C ATOM 650 OD1 ASP A 44 19.003 -9.521 -33.808 1.00 0.00 O ATOM 651 OD2 ASP A 44 19.823 -7.763 -34.873 1.00 0.00 O ATOM 0 H ASP A 44 18.522 -5.665 -32.874 1.00 0.00 H new ATOM 0 HA ASP A 44 18.046 -6.251 -35.634 1.00 0.00 H new ATOM 0 HB2 ASP A 44 17.330 -7.602 -33.020 1.00 0.00 H new ATOM 0 HB3 ASP A 44 16.781 -8.223 -34.564 1.00 0.00 H new ATOM 656 N ILE A 45 15.532 -5.095 -33.909 1.00 0.00 N ATOM 657 CA ILE A 45 14.225 -4.478 -34.096 1.00 0.00 C ATOM 658 C ILE A 45 14.405 -3.180 -34.881 1.00 0.00 C ATOM 659 O ILE A 45 13.481 -2.732 -35.557 1.00 0.00 O ATOM 660 CB ILE A 45 13.551 -4.241 -32.737 1.00 0.00 C ATOM 661 CG1 ILE A 45 12.072 -3.892 -32.950 1.00 0.00 C ATOM 662 CG2 ILE A 45 14.241 -3.116 -31.961 1.00 0.00 C ATOM 663 CD1 ILE A 45 11.318 -3.784 -31.622 1.00 0.00 C ATOM 0 H ILE A 45 15.910 -5.010 -32.965 1.00 0.00 H new ATOM 0 HA ILE A 45 13.570 -5.139 -34.664 1.00 0.00 H new ATOM 0 HB ILE A 45 13.635 -5.156 -32.151 1.00 0.00 H new ATOM 0 HG12 ILE A 45 11.995 -2.948 -33.490 1.00 0.00 H new ATOM 0 HG13 ILE A 45 11.604 -4.655 -33.573 1.00 0.00 H new ATOM 0 HG21 ILE A 45 13.740 -2.974 -31.004 1.00 0.00 H new ATOM 0 HG22 ILE A 45 15.284 -3.380 -31.788 1.00 0.00 H new ATOM 0 HG23 ILE A 45 14.191 -2.192 -32.538 1.00 0.00 H new ATOM 0 HD11 ILE A 45 10.274 -3.536 -31.815 1.00 0.00 H new ATOM 0 HD12 ILE A 45 11.373 -4.736 -31.094 1.00 0.00 H new ATOM 0 HD13 ILE A 45 11.769 -3.003 -31.010 1.00 0.00 H new ATOM 675 N LEU A 46 15.593 -2.569 -34.802 1.00 0.00 N ATOM 676 CA LEU A 46 15.891 -1.376 -35.574 1.00 0.00 C ATOM 677 C LEU A 46 15.908 -1.725 -37.060 1.00 0.00 C ATOM 678 O LEU A 46 15.232 -1.077 -37.855 1.00 0.00 O ATOM 679 CB LEU A 46 17.244 -0.804 -35.130 1.00 0.00 C ATOM 680 CG LEU A 46 17.707 0.369 -35.996 1.00 0.00 C ATOM 681 CD1 LEU A 46 16.795 1.584 -35.831 1.00 0.00 C ATOM 682 CD2 LEU A 46 19.133 0.756 -35.614 1.00 0.00 C ATOM 0 H LEU A 46 16.359 -2.888 -34.208 1.00 0.00 H new ATOM 0 HA LEU A 46 15.124 -0.620 -35.404 1.00 0.00 H new ATOM 0 HB2 LEU A 46 17.172 -0.477 -34.093 1.00 0.00 H new ATOM 0 HB3 LEU A 46 17.995 -1.593 -35.164 1.00 0.00 H new ATOM 0 HG LEU A 46 17.668 0.051 -37.038 1.00 0.00 H new ATOM 0 HD11 LEU A 46 17.155 2.397 -36.461 1.00 0.00 H new ATOM 0 HD12 LEU A 46 15.779 1.319 -36.125 1.00 0.00 H new ATOM 0 HD13 LEU A 46 16.799 1.903 -34.789 1.00 0.00 H new ATOM 0 HD21 LEU A 46 19.461 1.592 -36.232 1.00 0.00 H new ATOM 0 HD22 LEU A 46 19.162 1.048 -34.564 1.00 0.00 H new ATOM 0 HD23 LEU A 46 19.796 -0.095 -35.773 1.00 0.00 H new ATOM 694 N GLN A 47 16.675 -2.749 -37.436 1.00 0.00 N ATOM 695 CA GLN A 47 16.793 -3.173 -38.822 1.00 0.00 C ATOM 696 C GLN A 47 15.464 -3.697 -39.365 1.00 0.00 C ATOM 697 O GLN A 47 15.247 -3.687 -40.578 1.00 0.00 O ATOM 698 CB GLN A 47 17.872 -4.250 -38.931 1.00 0.00 C ATOM 699 CG GLN A 47 19.260 -3.657 -38.682 1.00 0.00 C ATOM 700 CD GLN A 47 19.822 -2.935 -39.903 1.00 0.00 C ATOM 701 OE1 GLN A 47 19.174 -2.842 -40.941 1.00 0.00 O ATOM 702 NE2 GLN A 47 21.040 -2.413 -39.783 1.00 0.00 N ATOM 0 H GLN A 47 17.230 -3.304 -36.785 1.00 0.00 H new ATOM 0 HA GLN A 47 17.073 -2.309 -39.424 1.00 0.00 H new ATOM 0 HB2 GLN A 47 17.675 -5.042 -38.209 1.00 0.00 H new ATOM 0 HB3 GLN A 47 17.839 -4.705 -39.921 1.00 0.00 H new ATOM 0 HG2 GLN A 47 19.208 -2.960 -37.846 1.00 0.00 H new ATOM 0 HG3 GLN A 47 19.944 -4.454 -38.390 1.00 0.00 H new ATOM 0 HE21 GLN A 47 21.552 -2.508 -38.906 1.00 0.00 H new ATOM 0 HE22 GLN A 47 21.462 -1.917 -40.568 1.00 0.00 H new ATOM 711 N MET A 48 14.572 -4.152 -38.481 1.00 0.00 N ATOM 712 CA MET A 48 13.250 -4.609 -38.881 1.00 0.00 C ATOM 713 C MET A 48 12.334 -3.421 -39.183 1.00 0.00 C ATOM 714 O MET A 48 11.411 -3.545 -39.985 1.00 0.00 O ATOM 715 CB MET A 48 12.676 -5.482 -37.759 1.00 0.00 C ATOM 716 CG MET A 48 11.260 -5.966 -38.080 1.00 0.00 C ATOM 717 SD MET A 48 11.142 -7.096 -39.496 1.00 0.00 S ATOM 718 CE MET A 48 11.919 -8.570 -38.778 1.00 0.00 C ATOM 0 H MET A 48 14.749 -4.212 -37.478 1.00 0.00 H new ATOM 0 HA MET A 48 13.323 -5.198 -39.795 1.00 0.00 H new ATOM 0 HB2 MET A 48 13.326 -6.342 -37.600 1.00 0.00 H new ATOM 0 HB3 MET A 48 12.664 -4.915 -36.828 1.00 0.00 H new ATOM 0 HG2 MET A 48 10.854 -6.465 -37.200 1.00 0.00 H new ATOM 0 HG3 MET A 48 10.630 -5.098 -38.273 1.00 0.00 H new ATOM 0 HE1 MET A 48 11.744 -9.427 -39.428 1.00 0.00 H new ATOM 0 HE2 MET A 48 12.992 -8.404 -38.678 1.00 0.00 H new ATOM 0 HE3 MET A 48 11.489 -8.766 -37.796 1.00 0.00 H new ATOM 728 N PHE A 49 12.589 -2.275 -38.539 1.00 0.00 N ATOM 729 CA PHE A 49 11.763 -1.085 -38.689 1.00 0.00 C ATOM 730 C PHE A 49 12.307 0.065 -39.542 1.00 0.00 C ATOM 731 O PHE A 49 11.565 0.989 -39.874 1.00 0.00 O ATOM 732 CB PHE A 49 11.193 -0.636 -37.338 1.00 0.00 C ATOM 733 CG PHE A 49 10.037 -1.468 -36.819 1.00 0.00 C ATOM 734 CD1 PHE A 49 8.750 -0.914 -36.739 1.00 0.00 C ATOM 735 CD2 PHE A 49 10.243 -2.795 -36.419 1.00 0.00 C ATOM 736 CE1 PHE A 49 7.678 -1.682 -36.266 1.00 0.00 C ATOM 737 CE2 PHE A 49 9.172 -3.567 -35.945 1.00 0.00 C ATOM 738 CZ PHE A 49 7.888 -3.009 -35.871 1.00 0.00 C ATOM 0 H PHE A 49 13.375 -2.154 -37.901 1.00 0.00 H new ATOM 0 HA PHE A 49 10.944 -1.422 -39.324 1.00 0.00 H new ATOM 0 HB2 PHE A 49 11.994 -0.654 -36.599 1.00 0.00 H new ATOM 0 HB3 PHE A 49 10.864 0.400 -37.426 1.00 0.00 H new ATOM 0 HD1 PHE A 49 8.585 0.109 -37.043 1.00 0.00 H new ATOM 0 HD2 PHE A 49 11.232 -3.226 -36.476 1.00 0.00 H new ATOM 0 HE1 PHE A 49 6.690 -1.251 -36.206 1.00 0.00 H new ATOM 0 HE2 PHE A 49 9.336 -4.589 -35.638 1.00 0.00 H new ATOM 0 HZ PHE A 49 7.061 -3.602 -35.510 1.00 0.00 H new ATOM 748 N MET A 50 13.590 0.033 -39.909 1.00 0.00 N ATOM 749 CA MET A 50 14.177 1.089 -40.723 1.00 0.00 C ATOM 750 C MET A 50 13.628 1.195 -42.153 1.00 0.00 C ATOM 751 O MET A 50 13.588 2.309 -42.673 1.00 0.00 O ATOM 752 CB MET A 50 15.703 0.965 -40.764 1.00 0.00 C ATOM 753 CG MET A 50 16.332 1.508 -39.479 1.00 0.00 C ATOM 754 SD MET A 50 18.101 1.873 -39.605 1.00 0.00 S ATOM 755 CE MET A 50 18.732 0.206 -39.926 1.00 0.00 C ATOM 0 H MET A 50 14.238 -0.713 -39.654 1.00 0.00 H new ATOM 0 HA MET A 50 13.882 2.011 -40.223 1.00 0.00 H new ATOM 0 HB2 MET A 50 15.983 -0.080 -40.897 1.00 0.00 H new ATOM 0 HB3 MET A 50 16.093 1.511 -41.623 1.00 0.00 H new ATOM 0 HG2 MET A 50 15.806 2.417 -39.188 1.00 0.00 H new ATOM 0 HG3 MET A 50 16.180 0.782 -38.680 1.00 0.00 H new ATOM 0 HE1 MET A 50 19.820 0.233 -39.979 1.00 0.00 H new ATOM 0 HE2 MET A 50 18.424 -0.461 -39.121 1.00 0.00 H new ATOM 0 HE3 MET A 50 18.332 -0.159 -40.872 1.00 0.00 H new ATOM 765 N PRO A 51 13.200 0.116 -42.831 1.00 0.00 N ATOM 766 CA PRO A 51 12.694 0.245 -44.193 1.00 0.00 C ATOM 767 C PRO A 51 11.317 0.910 -44.225 1.00 0.00 C ATOM 768 O PRO A 51 10.829 1.250 -45.301 1.00 0.00 O ATOM 769 CB PRO A 51 12.636 -1.182 -44.730 1.00 0.00 C ATOM 770 CG PRO A 51 12.375 -2.016 -43.476 1.00 0.00 C ATOM 771 CD PRO A 51 13.174 -1.275 -42.407 1.00 0.00 C ATOM 0 HA PRO A 51 13.335 0.883 -44.801 1.00 0.00 H new ATOM 0 HB2 PRO A 51 11.842 -1.303 -45.467 1.00 0.00 H new ATOM 0 HB3 PRO A 51 13.569 -1.467 -45.217 1.00 0.00 H new ATOM 0 HG2 PRO A 51 11.314 -2.058 -43.232 1.00 0.00 H new ATOM 0 HG3 PRO A 51 12.716 -3.044 -43.596 1.00 0.00 H new ATOM 0 HD2 PRO A 51 12.707 -1.377 -41.427 1.00 0.00 H new ATOM 0 HD3 PRO A 51 14.183 -1.678 -42.323 1.00 0.00 H new ATOM 779 N PHE A 52 10.684 1.101 -43.065 1.00 0.00 N ATOM 780 CA PHE A 52 9.372 1.725 -42.978 1.00 0.00 C ATOM 781 C PHE A 52 9.468 3.251 -42.922 1.00 0.00 C ATOM 782 O PHE A 52 8.466 3.933 -43.125 1.00 0.00 O ATOM 783 CB PHE A 52 8.653 1.179 -41.749 1.00 0.00 C ATOM 784 CG PHE A 52 8.483 -0.326 -41.759 1.00 0.00 C ATOM 785 CD1 PHE A 52 8.712 -1.057 -40.587 1.00 0.00 C ATOM 786 CD2 PHE A 52 8.105 -0.991 -42.935 1.00 0.00 C ATOM 787 CE1 PHE A 52 8.579 -2.453 -40.590 1.00 0.00 C ATOM 788 CE2 PHE A 52 7.983 -2.387 -42.943 1.00 0.00 C ATOM 789 CZ PHE A 52 8.220 -3.119 -41.771 1.00 0.00 C ATOM 0 H PHE A 52 11.071 0.826 -42.162 1.00 0.00 H new ATOM 0 HA PHE A 52 8.806 1.483 -43.877 1.00 0.00 H new ATOM 0 HB2 PHE A 52 9.209 1.467 -40.857 1.00 0.00 H new ATOM 0 HB3 PHE A 52 7.671 1.646 -41.677 1.00 0.00 H new ATOM 0 HD1 PHE A 52 8.992 -0.544 -39.678 1.00 0.00 H new ATOM 0 HD2 PHE A 52 7.908 -0.427 -43.835 1.00 0.00 H new ATOM 0 HE1 PHE A 52 8.753 -3.015 -39.684 1.00 0.00 H new ATOM 0 HE2 PHE A 52 7.706 -2.899 -43.853 1.00 0.00 H new ATOM 0 HZ PHE A 52 8.126 -4.195 -41.778 1.00 0.00 H new ATOM 799 N GLY A 53 10.661 3.790 -42.651 1.00 0.00 N ATOM 800 CA GLY A 53 10.878 5.227 -42.584 1.00 0.00 C ATOM 801 C GLY A 53 12.050 5.572 -41.671 1.00 0.00 C ATOM 802 O GLY A 53 12.782 4.687 -41.230 1.00 0.00 O ATOM 0 H GLY A 53 11.499 3.237 -42.473 1.00 0.00 H new ATOM 0 HA2 GLY A 53 11.068 5.615 -43.585 1.00 0.00 H new ATOM 0 HA3 GLY A 53 9.975 5.716 -42.219 1.00 0.00 H new ATOM 806 N ASN A 54 12.231 6.865 -41.388 1.00 0.00 N ATOM 807 CA ASN A 54 13.342 7.321 -40.567 1.00 0.00 C ATOM 808 C ASN A 54 13.066 7.035 -39.096 1.00 0.00 C ATOM 809 O ASN A 54 12.293 7.746 -38.452 1.00 0.00 O ATOM 810 CB ASN A 54 13.572 8.816 -40.793 1.00 0.00 C ATOM 811 CG ASN A 54 14.770 9.304 -39.984 1.00 0.00 C ATOM 812 OD1 ASN A 54 15.900 9.289 -40.462 1.00 0.00 O ATOM 813 ND2 ASN A 54 14.527 9.742 -38.755 1.00 0.00 N ATOM 0 H ASN A 54 11.618 7.611 -41.719 1.00 0.00 H new ATOM 0 HA ASN A 54 14.244 6.780 -40.854 1.00 0.00 H new ATOM 0 HB2 ASN A 54 13.740 9.007 -41.853 1.00 0.00 H new ATOM 0 HB3 ASN A 54 12.681 9.374 -40.506 1.00 0.00 H new ATOM 0 HD21 ASN A 54 15.293 10.081 -38.174 1.00 0.00 H new ATOM 0 HD22 ASN A 54 13.574 9.739 -38.392 1.00 0.00 H new ATOM 820 N VAL A 55 13.704 5.988 -38.573 1.00 0.00 N ATOM 821 CA VAL A 55 13.600 5.625 -37.169 1.00 0.00 C ATOM 822 C VAL A 55 14.512 6.540 -36.352 1.00 0.00 C ATOM 823 O VAL A 55 15.691 6.690 -36.678 1.00 0.00 O ATOM 824 CB VAL A 55 13.995 4.156 -36.989 1.00 0.00 C ATOM 825 CG1 VAL A 55 13.996 3.769 -35.514 1.00 0.00 C ATOM 826 CG2 VAL A 55 13.007 3.263 -37.737 1.00 0.00 C ATOM 0 H VAL A 55 14.307 5.370 -39.116 1.00 0.00 H new ATOM 0 HA VAL A 55 12.574 5.748 -36.822 1.00 0.00 H new ATOM 0 HB VAL A 55 15.000 4.022 -37.389 1.00 0.00 H new ATOM 0 HG11 VAL A 55 14.280 2.721 -35.413 1.00 0.00 H new ATOM 0 HG12 VAL A 55 14.710 4.392 -34.975 1.00 0.00 H new ATOM 0 HG13 VAL A 55 12.999 3.917 -35.098 1.00 0.00 H new ATOM 0 HG21 VAL A 55 13.290 2.219 -37.607 1.00 0.00 H new ATOM 0 HG22 VAL A 55 12.004 3.419 -37.341 1.00 0.00 H new ATOM 0 HG23 VAL A 55 13.021 3.514 -38.798 1.00 0.00 H new ATOM 836 N ILE A 56 13.975 7.150 -35.294 1.00 0.00 N ATOM 837 CA ILE A 56 14.748 8.026 -34.426 1.00 0.00 C ATOM 838 C ILE A 56 15.434 7.223 -33.320 1.00 0.00 C ATOM 839 O ILE A 56 16.539 7.563 -32.898 1.00 0.00 O ATOM 840 CB ILE A 56 13.832 9.118 -33.855 1.00 0.00 C ATOM 841 CG1 ILE A 56 13.509 10.116 -34.972 1.00 0.00 C ATOM 842 CG2 ILE A 56 14.516 9.830 -32.686 1.00 0.00 C ATOM 843 CD1 ILE A 56 12.739 11.341 -34.471 1.00 0.00 C ATOM 0 H ILE A 56 12.998 7.049 -35.020 1.00 0.00 H new ATOM 0 HA ILE A 56 15.536 8.508 -35.005 1.00 0.00 H new ATOM 0 HB ILE A 56 12.911 8.670 -33.482 1.00 0.00 H new ATOM 0 HG12 ILE A 56 14.437 10.443 -35.440 1.00 0.00 H new ATOM 0 HG13 ILE A 56 12.923 9.615 -35.742 1.00 0.00 H new ATOM 0 HG21 ILE A 56 13.854 10.601 -32.292 1.00 0.00 H new ATOM 0 HG22 ILE A 56 14.739 9.108 -31.901 1.00 0.00 H new ATOM 0 HG23 ILE A 56 15.442 10.289 -33.031 1.00 0.00 H new ATOM 0 HD11 ILE A 56 12.539 12.012 -35.307 1.00 0.00 H new ATOM 0 HD12 ILE A 56 11.796 11.022 -34.028 1.00 0.00 H new ATOM 0 HD13 ILE A 56 13.334 11.863 -33.721 1.00 0.00 H new ATOM 855 N SER A 57 14.784 6.155 -32.852 1.00 0.00 N ATOM 856 CA SER A 57 15.332 5.293 -31.813 1.00 0.00 C ATOM 857 C SER A 57 14.676 3.916 -31.869 1.00 0.00 C ATOM 858 O SER A 57 13.555 3.774 -32.354 1.00 0.00 O ATOM 859 CB SER A 57 15.123 5.941 -30.444 1.00 0.00 C ATOM 860 OG SER A 57 15.683 5.132 -29.432 1.00 0.00 O ATOM 0 H SER A 57 13.864 5.867 -33.185 1.00 0.00 H new ATOM 0 HA SER A 57 16.402 5.164 -31.978 1.00 0.00 H new ATOM 0 HB2 SER A 57 15.584 6.929 -30.427 1.00 0.00 H new ATOM 0 HB3 SER A 57 14.058 6.083 -30.259 1.00 0.00 H new ATOM 0 HG SER A 57 15.545 5.557 -28.560 1.00 0.00 H new ATOM 866 N ALA A 58 15.377 2.901 -31.365 1.00 0.00 N ATOM 867 CA ALA A 58 14.899 1.529 -31.352 1.00 0.00 C ATOM 868 C ALA A 58 15.549 0.777 -30.196 1.00 0.00 C ATOM 869 O ALA A 58 16.740 0.941 -29.944 1.00 0.00 O ATOM 870 CB ALA A 58 15.242 0.871 -32.688 1.00 0.00 C ATOM 0 H ALA A 58 16.302 3.015 -30.951 1.00 0.00 H new ATOM 0 HA ALA A 58 13.818 1.506 -31.214 1.00 0.00 H new ATOM 0 HB1 ALA A 58 14.887 -0.160 -32.688 1.00 0.00 H new ATOM 0 HB2 ALA A 58 14.762 1.420 -33.498 1.00 0.00 H new ATOM 0 HB3 ALA A 58 16.322 0.883 -32.833 1.00 0.00 H new ATOM 876 N LYS A 59 14.769 -0.047 -29.486 1.00 0.00 N ATOM 877 CA LYS A 59 15.248 -0.773 -28.316 1.00 0.00 C ATOM 878 C LYS A 59 14.352 -1.971 -28.008 1.00 0.00 C ATOM 879 O LYS A 59 13.138 -1.892 -28.175 1.00 0.00 O ATOM 880 CB LYS A 59 15.313 0.218 -27.142 1.00 0.00 C ATOM 881 CG LYS A 59 15.640 -0.439 -25.797 1.00 0.00 C ATOM 882 CD LYS A 59 14.389 -0.777 -24.981 1.00 0.00 C ATOM 883 CE LYS A 59 13.621 0.481 -24.565 1.00 0.00 C ATOM 884 NZ LYS A 59 14.452 1.367 -23.721 1.00 0.00 N ATOM 0 H LYS A 59 13.790 -0.225 -29.710 1.00 0.00 H new ATOM 0 HA LYS A 59 16.242 -1.181 -28.501 1.00 0.00 H new ATOM 0 HB2 LYS A 59 16.067 0.975 -27.359 1.00 0.00 H new ATOM 0 HB3 LYS A 59 14.356 0.734 -27.061 1.00 0.00 H new ATOM 0 HG2 LYS A 59 16.211 -1.351 -25.973 1.00 0.00 H new ATOM 0 HG3 LYS A 59 16.277 0.229 -25.217 1.00 0.00 H new ATOM 0 HD2 LYS A 59 13.736 -1.423 -25.568 1.00 0.00 H new ATOM 0 HD3 LYS A 59 14.676 -1.338 -24.091 1.00 0.00 H new ATOM 0 HE2 LYS A 59 13.297 1.022 -25.454 1.00 0.00 H new ATOM 0 HE3 LYS A 59 12.721 0.196 -24.020 1.00 0.00 H new ATOM 0 HZ1 LYS A 59 13.847 2.079 -23.264 1.00 0.00 H new ATOM 0 HZ2 LYS A 59 14.932 0.802 -22.992 1.00 0.00 H new ATOM 0 HZ3 LYS A 59 15.162 1.844 -24.313 1.00 0.00 H new ATOM 898 N VAL A 60 14.943 -3.078 -27.559 1.00 0.00 N ATOM 899 CA VAL A 60 14.192 -4.225 -27.063 1.00 0.00 C ATOM 900 C VAL A 60 14.395 -4.268 -25.557 1.00 0.00 C ATOM 901 O VAL A 60 15.497 -4.019 -25.074 1.00 0.00 O ATOM 902 CB VAL A 60 14.688 -5.516 -27.731 1.00 0.00 C ATOM 903 CG1 VAL A 60 14.150 -6.755 -27.012 1.00 0.00 C ATOM 904 CG2 VAL A 60 14.214 -5.546 -29.185 1.00 0.00 C ATOM 0 H VAL A 60 15.955 -3.202 -27.530 1.00 0.00 H new ATOM 0 HA VAL A 60 13.131 -4.135 -27.298 1.00 0.00 H new ATOM 0 HB VAL A 60 15.777 -5.528 -27.680 1.00 0.00 H new ATOM 0 HG11 VAL A 60 14.519 -7.653 -27.508 1.00 0.00 H new ATOM 0 HG12 VAL A 60 14.487 -6.749 -25.975 1.00 0.00 H new ATOM 0 HG13 VAL A 60 13.060 -6.747 -27.039 1.00 0.00 H new ATOM 0 HG21 VAL A 60 14.564 -6.461 -29.663 1.00 0.00 H new ATOM 0 HG22 VAL A 60 13.125 -5.516 -29.213 1.00 0.00 H new ATOM 0 HG23 VAL A 60 14.615 -4.683 -29.716 1.00 0.00 H new ATOM 914 N PHE A 61 13.337 -4.582 -24.806 1.00 0.00 N ATOM 915 CA PHE A 61 13.412 -4.583 -23.358 1.00 0.00 C ATOM 916 C PHE A 61 14.212 -5.742 -22.772 1.00 0.00 C ATOM 917 O PHE A 61 14.252 -6.825 -23.354 1.00 0.00 O ATOM 918 CB PHE A 61 12.021 -4.455 -22.745 1.00 0.00 C ATOM 919 CG PHE A 61 11.385 -3.103 -22.972 1.00 0.00 C ATOM 920 CD1 PHE A 61 10.362 -2.964 -23.918 1.00 0.00 C ATOM 921 CD2 PHE A 61 11.809 -1.989 -22.236 1.00 0.00 C ATOM 922 CE1 PHE A 61 9.764 -1.716 -24.132 1.00 0.00 C ATOM 923 CE2 PHE A 61 11.212 -0.738 -22.446 1.00 0.00 C ATOM 924 CZ PHE A 61 10.190 -0.599 -23.396 1.00 0.00 C ATOM 0 H PHE A 61 12.424 -4.837 -25.183 1.00 0.00 H new ATOM 0 HA PHE A 61 13.987 -3.699 -23.080 1.00 0.00 H new ATOM 0 HB2 PHE A 61 11.375 -5.227 -23.164 1.00 0.00 H new ATOM 0 HB3 PHE A 61 12.086 -4.642 -21.673 1.00 0.00 H new ATOM 0 HD1 PHE A 61 10.033 -3.822 -24.485 1.00 0.00 H new ATOM 0 HD2 PHE A 61 12.597 -2.094 -21.505 1.00 0.00 H new ATOM 0 HE1 PHE A 61 8.976 -1.613 -24.863 1.00 0.00 H new ATOM 0 HE2 PHE A 61 11.539 0.119 -21.876 1.00 0.00 H new ATOM 0 HZ PHE A 61 9.732 0.365 -23.561 1.00 0.00 H new ATOM 934 N ILE A 62 14.849 -5.517 -21.620 1.00 0.00 N ATOM 935 CA ILE A 62 15.671 -6.509 -20.942 1.00 0.00 C ATOM 936 C ILE A 62 15.223 -6.619 -19.486 1.00 0.00 C ATOM 937 O ILE A 62 14.852 -5.617 -18.874 1.00 0.00 O ATOM 938 CB ILE A 62 17.155 -6.113 -21.020 1.00 0.00 C ATOM 939 CG1 ILE A 62 17.626 -5.790 -22.447 1.00 0.00 C ATOM 940 CG2 ILE A 62 18.013 -7.221 -20.406 1.00 0.00 C ATOM 941 CD1 ILE A 62 17.587 -6.989 -23.394 1.00 0.00 C ATOM 0 H ILE A 62 14.804 -4.624 -21.128 1.00 0.00 H new ATOM 0 HA ILE A 62 15.552 -7.477 -21.430 1.00 0.00 H new ATOM 0 HB ILE A 62 17.272 -5.191 -20.451 1.00 0.00 H new ATOM 0 HG12 ILE A 62 17.001 -4.996 -22.855 1.00 0.00 H new ATOM 0 HG13 ILE A 62 18.645 -5.404 -22.405 1.00 0.00 H new ATOM 0 HG21 ILE A 62 19.065 -6.940 -20.462 1.00 0.00 H new ATOM 0 HG22 ILE A 62 17.730 -7.364 -19.363 1.00 0.00 H new ATOM 0 HG23 ILE A 62 17.856 -8.149 -20.955 1.00 0.00 H new ATOM 0 HD11 ILE A 62 17.933 -6.684 -24.382 1.00 0.00 H new ATOM 0 HD12 ILE A 62 18.234 -7.777 -23.010 1.00 0.00 H new ATOM 0 HD13 ILE A 62 16.565 -7.362 -23.467 1.00 0.00 H new ATOM 953 N ASP A 63 15.251 -7.827 -18.918 1.00 0.00 N ATOM 954 CA ASP A 63 14.879 -8.033 -17.525 1.00 0.00 C ATOM 955 C ASP A 63 16.079 -7.700 -16.639 1.00 0.00 C ATOM 956 O ASP A 63 17.171 -8.209 -16.867 1.00 0.00 O ATOM 957 CB ASP A 63 14.448 -9.493 -17.354 1.00 0.00 C ATOM 958 CG ASP A 63 13.880 -9.780 -15.966 1.00 0.00 C ATOM 959 OD1 ASP A 63 13.948 -8.873 -15.104 1.00 0.00 O ATOM 960 OD2 ASP A 63 13.380 -10.908 -15.770 1.00 0.00 O ATOM 0 H ASP A 63 15.529 -8.677 -19.408 1.00 0.00 H new ATOM 0 HA ASP A 63 14.051 -7.386 -17.236 1.00 0.00 H new ATOM 0 HB2 ASP A 63 13.698 -9.737 -18.107 1.00 0.00 H new ATOM 0 HB3 ASP A 63 15.304 -10.144 -17.534 1.00 0.00 H new ATOM 965 N LYS A 64 15.886 -6.849 -15.630 1.00 0.00 N ATOM 966 CA LYS A 64 16.971 -6.450 -14.738 1.00 0.00 C ATOM 967 C LYS A 64 17.310 -7.558 -13.737 1.00 0.00 C ATOM 968 O LYS A 64 18.328 -7.475 -13.052 1.00 0.00 O ATOM 969 CB LYS A 64 16.613 -5.147 -14.013 1.00 0.00 C ATOM 970 CG LYS A 64 15.580 -5.302 -12.883 1.00 0.00 C ATOM 971 CD LYS A 64 14.161 -5.645 -13.355 1.00 0.00 C ATOM 972 CE LYS A 64 13.579 -4.561 -14.263 1.00 0.00 C ATOM 973 NZ LYS A 64 13.406 -3.284 -13.538 1.00 0.00 N ATOM 0 H LYS A 64 14.985 -6.423 -15.411 1.00 0.00 H new ATOM 0 HA LYS A 64 17.860 -6.277 -15.345 1.00 0.00 H new ATOM 0 HB2 LYS A 64 17.524 -4.717 -13.597 1.00 0.00 H new ATOM 0 HB3 LYS A 64 16.228 -4.435 -14.743 1.00 0.00 H new ATOM 0 HG2 LYS A 64 15.920 -6.082 -12.202 1.00 0.00 H new ATOM 0 HG3 LYS A 64 15.544 -4.374 -12.312 1.00 0.00 H new ATOM 0 HD2 LYS A 64 14.177 -6.595 -13.889 1.00 0.00 H new ATOM 0 HD3 LYS A 64 13.513 -5.778 -12.488 1.00 0.00 H new ATOM 0 HE2 LYS A 64 14.237 -4.409 -15.118 1.00 0.00 H new ATOM 0 HE3 LYS A 64 12.617 -4.891 -14.656 1.00 0.00 H new ATOM 0 HZ1 LYS A 64 12.858 -2.623 -14.125 1.00 0.00 H new ATOM 0 HZ2 LYS A 64 12.900 -3.457 -12.646 1.00 0.00 H new ATOM 0 HZ3 LYS A 64 14.339 -2.872 -13.333 1.00 0.00 H new ATOM 987 N GLN A 65 16.468 -8.590 -13.650 1.00 0.00 N ATOM 988 CA GLN A 65 16.634 -9.680 -12.695 1.00 0.00 C ATOM 989 C GLN A 65 17.405 -10.864 -13.276 1.00 0.00 C ATOM 990 O GLN A 65 17.973 -11.660 -12.526 1.00 0.00 O ATOM 991 CB GLN A 65 15.253 -10.164 -12.268 1.00 0.00 C ATOM 992 CG GLN A 65 14.541 -9.087 -11.442 1.00 0.00 C ATOM 993 CD GLN A 65 13.031 -9.252 -11.507 1.00 0.00 C ATOM 994 OE1 GLN A 65 12.361 -9.337 -10.481 1.00 0.00 O ATOM 995 NE2 GLN A 65 12.479 -9.302 -12.715 1.00 0.00 N ATOM 0 H GLN A 65 15.647 -8.690 -14.246 1.00 0.00 H new ATOM 0 HA GLN A 65 17.209 -9.295 -11.853 1.00 0.00 H new ATOM 0 HB2 GLN A 65 14.658 -10.409 -13.148 1.00 0.00 H new ATOM 0 HB3 GLN A 65 15.346 -11.078 -11.682 1.00 0.00 H new ATOM 0 HG2 GLN A 65 14.871 -9.143 -10.405 1.00 0.00 H new ATOM 0 HG3 GLN A 65 14.818 -8.100 -11.812 1.00 0.00 H new ATOM 0 HE21 GLN A 65 13.065 -9.228 -13.547 1.00 0.00 H new ATOM 0 HE22 GLN A 65 11.470 -9.414 -12.810 1.00 0.00 H new ATOM 1004 N THR A 66 17.422 -10.980 -14.604 1.00 0.00 N ATOM 1005 CA THR A 66 18.011 -12.112 -15.311 1.00 0.00 C ATOM 1006 C THR A 66 18.846 -11.730 -16.519 1.00 0.00 C ATOM 1007 O THR A 66 19.555 -12.564 -17.083 1.00 0.00 O ATOM 1008 CB THR A 66 16.949 -13.152 -15.679 1.00 0.00 C ATOM 1009 OG1 THR A 66 16.401 -12.819 -16.935 1.00 0.00 O ATOM 1010 CG2 THR A 66 15.813 -13.210 -14.667 1.00 0.00 C ATOM 0 H THR A 66 17.020 -10.278 -15.226 1.00 0.00 H new ATOM 0 HA THR A 66 18.711 -12.558 -14.605 1.00 0.00 H new ATOM 0 HB THR A 66 17.439 -14.126 -15.695 1.00 0.00 H new ATOM 0 HG1 THR A 66 15.721 -13.480 -17.181 1.00 0.00 H new ATOM 0 HG21 THR A 66 15.088 -13.963 -14.976 1.00 0.00 H new ATOM 0 HG22 THR A 66 16.212 -13.471 -13.687 1.00 0.00 H new ATOM 0 HG23 THR A 66 15.324 -12.237 -14.612 1.00 0.00 H new ATOM 1018 N ASN A 67 18.753 -10.456 -16.909 1.00 0.00 N ATOM 1019 CA ASN A 67 19.443 -9.897 -18.063 1.00 0.00 C ATOM 1020 C ASN A 67 19.032 -10.555 -19.381 1.00 0.00 C ATOM 1021 O ASN A 67 19.656 -10.313 -20.415 1.00 0.00 O ATOM 1022 CB ASN A 67 20.958 -9.903 -17.840 1.00 0.00 C ATOM 1023 CG ASN A 67 21.391 -8.966 -16.721 1.00 0.00 C ATOM 1024 OD1 ASN A 67 20.615 -8.142 -16.243 1.00 0.00 O ATOM 1025 ND2 ASN A 67 22.642 -9.079 -16.290 1.00 0.00 N ATOM 0 H ASN A 67 18.180 -9.772 -16.415 1.00 0.00 H new ATOM 0 HA ASN A 67 19.129 -8.858 -18.160 1.00 0.00 H new ATOM 0 HB2 ASN A 67 21.283 -10.917 -17.605 1.00 0.00 H new ATOM 0 HB3 ASN A 67 21.458 -9.614 -18.764 1.00 0.00 H new ATOM 0 HD21 ASN A 67 22.981 -8.472 -15.543 1.00 0.00 H new ATOM 0 HD22 ASN A 67 23.264 -9.772 -16.706 1.00 0.00 H new ATOM 1032 N LEU A 68 17.988 -11.388 -19.359 1.00 0.00 N ATOM 1033 CA LEU A 68 17.462 -12.013 -20.561 1.00 0.00 C ATOM 1034 C LEU A 68 16.564 -11.037 -21.310 1.00 0.00 C ATOM 1035 O LEU A 68 15.979 -10.133 -20.710 1.00 0.00 O ATOM 1036 CB LEU A 68 16.694 -13.282 -20.188 1.00 0.00 C ATOM 1037 CG LEU A 68 17.602 -14.327 -19.534 1.00 0.00 C ATOM 1038 CD1 LEU A 68 16.764 -15.546 -19.145 1.00 0.00 C ATOM 1039 CD2 LEU A 68 18.695 -14.775 -20.501 1.00 0.00 C ATOM 0 H LEU A 68 17.489 -11.643 -18.507 1.00 0.00 H new ATOM 0 HA LEU A 68 18.289 -12.286 -21.217 1.00 0.00 H new ATOM 0 HB2 LEU A 68 15.883 -13.028 -19.506 1.00 0.00 H new ATOM 0 HB3 LEU A 68 16.238 -13.706 -21.082 1.00 0.00 H new ATOM 0 HG LEU A 68 18.066 -13.882 -18.654 1.00 0.00 H new ATOM 0 HD11 LEU A 68 17.405 -16.294 -18.679 1.00 0.00 H new ATOM 0 HD12 LEU A 68 15.987 -15.244 -18.442 1.00 0.00 H new ATOM 0 HD13 LEU A 68 16.302 -15.969 -20.037 1.00 0.00 H new ATOM 0 HD21 LEU A 68 19.328 -15.517 -20.016 1.00 0.00 H new ATOM 0 HD22 LEU A 68 18.238 -15.212 -21.389 1.00 0.00 H new ATOM 0 HD23 LEU A 68 19.300 -13.915 -20.790 1.00 0.00 H new ATOM 1051 N SER A 69 16.455 -11.222 -22.626 1.00 0.00 N ATOM 1052 CA SER A 69 15.640 -10.363 -23.466 1.00 0.00 C ATOM 1053 C SER A 69 14.157 -10.593 -23.189 1.00 0.00 C ATOM 1054 O SER A 69 13.716 -11.733 -23.046 1.00 0.00 O ATOM 1055 CB SER A 69 15.972 -10.622 -24.934 1.00 0.00 C ATOM 1056 OG SER A 69 15.155 -9.832 -25.773 1.00 0.00 O ATOM 0 H SER A 69 16.929 -11.970 -23.132 1.00 0.00 H new ATOM 0 HA SER A 69 15.861 -9.321 -23.236 1.00 0.00 H new ATOM 0 HB2 SER A 69 17.022 -10.396 -25.121 1.00 0.00 H new ATOM 0 HB3 SER A 69 15.827 -11.677 -25.165 1.00 0.00 H new ATOM 0 HG SER A 69 15.381 -10.008 -26.710 1.00 0.00 H new ATOM 1062 N LYS A 70 13.388 -9.505 -23.112 1.00 0.00 N ATOM 1063 CA LYS A 70 11.947 -9.578 -22.911 1.00 0.00 C ATOM 1064 C LYS A 70 11.230 -9.815 -24.236 1.00 0.00 C ATOM 1065 O LYS A 70 11.820 -9.698 -25.308 1.00 0.00 O ATOM 1066 CB LYS A 70 11.423 -8.312 -22.237 1.00 0.00 C ATOM 1067 CG LYS A 70 12.020 -8.133 -20.841 1.00 0.00 C ATOM 1068 CD LYS A 70 11.189 -7.103 -20.077 1.00 0.00 C ATOM 1069 CE LYS A 70 11.740 -6.886 -18.673 1.00 0.00 C ATOM 1070 NZ LYS A 70 10.961 -5.865 -17.947 1.00 0.00 N ATOM 0 H LYS A 70 13.749 -8.554 -23.187 1.00 0.00 H new ATOM 0 HA LYS A 70 11.742 -10.422 -22.252 1.00 0.00 H new ATOM 0 HB2 LYS A 70 11.665 -7.445 -22.851 1.00 0.00 H new ATOM 0 HB3 LYS A 70 10.336 -8.359 -22.166 1.00 0.00 H new ATOM 0 HG2 LYS A 70 12.025 -9.084 -20.308 1.00 0.00 H new ATOM 0 HG3 LYS A 70 13.056 -7.803 -20.913 1.00 0.00 H new ATOM 0 HD2 LYS A 70 11.187 -6.158 -20.620 1.00 0.00 H new ATOM 0 HD3 LYS A 70 10.154 -7.439 -20.017 1.00 0.00 H new ATOM 0 HE2 LYS A 70 11.717 -7.826 -18.121 1.00 0.00 H new ATOM 0 HE3 LYS A 70 12.784 -6.577 -18.733 1.00 0.00 H new ATOM 0 HZ1 LYS A 70 11.358 -5.738 -16.994 1.00 0.00 H new ATOM 0 HZ2 LYS A 70 11.004 -4.963 -18.463 1.00 0.00 H new ATOM 0 HZ3 LYS A 70 9.971 -6.173 -17.871 1.00 0.00 H new ATOM 1084 N CYS A 71 9.944 -10.156 -24.148 1.00 0.00 N ATOM 1085 CA CYS A 71 9.130 -10.486 -25.306 1.00 0.00 C ATOM 1086 C CYS A 71 8.552 -9.263 -26.024 1.00 0.00 C ATOM 1087 O CYS A 71 7.595 -9.412 -26.783 1.00 0.00 O ATOM 1088 CB CYS A 71 8.026 -11.462 -24.890 1.00 0.00 C ATOM 1089 SG CYS A 71 8.778 -13.032 -24.383 1.00 0.00 S ATOM 0 H CYS A 71 9.440 -10.210 -23.263 1.00 0.00 H new ATOM 0 HA CYS A 71 9.786 -10.959 -26.037 1.00 0.00 H new ATOM 0 HB2 CYS A 71 7.443 -11.043 -24.070 1.00 0.00 H new ATOM 0 HB3 CYS A 71 7.337 -11.626 -25.719 1.00 0.00 H new ATOM 0 HG CYS A 71 7.846 -13.865 -24.026 1.00 0.00 H new ATOM 1095 N PHE A 72 9.091 -8.058 -25.810 1.00 0.00 N ATOM 1096 CA PHE A 72 8.518 -6.878 -26.446 1.00 0.00 C ATOM 1097 C PHE A 72 9.596 -5.788 -26.458 1.00 0.00 C ATOM 1098 O PHE A 72 10.647 -5.929 -25.834 1.00 0.00 O ATOM 1099 CB PHE A 72 7.301 -6.454 -25.613 1.00 0.00 C ATOM 1100 CG PHE A 72 7.556 -5.639 -24.371 1.00 0.00 C ATOM 1101 CD1 PHE A 72 8.263 -6.176 -23.288 1.00 0.00 C ATOM 1102 CD2 PHE A 72 7.047 -4.333 -24.306 1.00 0.00 C ATOM 1103 CE1 PHE A 72 8.448 -5.407 -22.133 1.00 0.00 C ATOM 1104 CE2 PHE A 72 7.219 -3.577 -23.144 1.00 0.00 C ATOM 1105 CZ PHE A 72 7.922 -4.115 -22.056 1.00 0.00 C ATOM 0 H PHE A 72 9.902 -7.880 -25.217 1.00 0.00 H new ATOM 0 HA PHE A 72 8.198 -7.066 -27.471 1.00 0.00 H new ATOM 0 HB2 PHE A 72 6.634 -5.883 -26.259 1.00 0.00 H new ATOM 0 HB3 PHE A 72 6.764 -7.356 -25.319 1.00 0.00 H new ATOM 0 HD1 PHE A 72 8.663 -7.178 -23.344 1.00 0.00 H new ATOM 0 HD2 PHE A 72 6.524 -3.913 -25.152 1.00 0.00 H new ATOM 0 HE1 PHE A 72 8.999 -5.814 -21.298 1.00 0.00 H new ATOM 0 HE2 PHE A 72 6.811 -2.579 -23.083 1.00 0.00 H new ATOM 0 HZ PHE A 72 8.057 -3.530 -21.158 1.00 0.00 H new ATOM 1115 N GLY A 73 9.325 -4.693 -27.180 1.00 0.00 N ATOM 1116 CA GLY A 73 10.282 -3.620 -27.406 1.00 0.00 C ATOM 1117 C GLY A 73 9.616 -2.296 -27.788 1.00 0.00 C ATOM 1118 O GLY A 73 8.401 -2.141 -27.682 1.00 0.00 O ATOM 0 H GLY A 73 8.422 -4.532 -27.626 1.00 0.00 H new ATOM 0 HA2 GLY A 73 10.876 -3.475 -26.504 1.00 0.00 H new ATOM 0 HA3 GLY A 73 10.971 -3.916 -28.197 1.00 0.00 H new ATOM 1122 N PHE A 74 10.436 -1.339 -28.236 1.00 0.00 N ATOM 1123 CA PHE A 74 10.050 0.027 -28.562 1.00 0.00 C ATOM 1124 C PHE A 74 10.776 0.655 -29.757 1.00 0.00 C ATOM 1125 O PHE A 74 11.972 0.431 -29.941 1.00 0.00 O ATOM 1126 CB PHE A 74 10.065 0.878 -27.285 1.00 0.00 C ATOM 1127 CG PHE A 74 10.280 2.360 -27.483 1.00 0.00 C ATOM 1128 CD1 PHE A 74 9.395 3.118 -28.265 1.00 0.00 C ATOM 1129 CD2 PHE A 74 11.383 2.987 -26.877 1.00 0.00 C ATOM 1130 CE1 PHE A 74 9.624 4.486 -28.470 1.00 0.00 C ATOM 1131 CE2 PHE A 74 11.613 4.355 -27.084 1.00 0.00 C ATOM 1132 CZ PHE A 74 10.737 5.101 -27.881 1.00 0.00 C ATOM 0 H PHE A 74 11.430 -1.509 -28.386 1.00 0.00 H new ATOM 0 HA PHE A 74 9.028 -0.009 -28.939 1.00 0.00 H new ATOM 0 HB2 PHE A 74 9.118 0.734 -26.764 1.00 0.00 H new ATOM 0 HB3 PHE A 74 10.850 0.501 -26.629 1.00 0.00 H new ATOM 0 HD1 PHE A 74 8.533 2.645 -28.711 1.00 0.00 H new ATOM 0 HD2 PHE A 74 12.053 2.415 -26.252 1.00 0.00 H new ATOM 0 HE1 PHE A 74 8.945 5.064 -29.080 1.00 0.00 H new ATOM 0 HE2 PHE A 74 12.467 4.833 -26.628 1.00 0.00 H new ATOM 0 HZ PHE A 74 10.919 6.153 -28.042 1.00 0.00 H new ATOM 1142 N VAL A 75 10.055 1.444 -30.565 1.00 0.00 N ATOM 1143 CA VAL A 75 10.588 2.105 -31.755 1.00 0.00 C ATOM 1144 C VAL A 75 9.903 3.461 -31.937 1.00 0.00 C ATOM 1145 O VAL A 75 8.767 3.641 -31.500 1.00 0.00 O ATOM 1146 CB VAL A 75 10.380 1.216 -32.996 1.00 0.00 C ATOM 1147 CG1 VAL A 75 10.885 1.899 -34.266 1.00 0.00 C ATOM 1148 CG2 VAL A 75 11.115 -0.116 -32.856 1.00 0.00 C ATOM 0 H VAL A 75 9.067 1.642 -30.403 1.00 0.00 H new ATOM 0 HA VAL A 75 11.659 2.267 -31.630 1.00 0.00 H new ATOM 0 HB VAL A 75 9.306 1.043 -33.071 1.00 0.00 H new ATOM 0 HG11 VAL A 75 10.722 1.243 -35.121 1.00 0.00 H new ATOM 0 HG12 VAL A 75 10.344 2.833 -34.417 1.00 0.00 H new ATOM 0 HG13 VAL A 75 11.950 2.109 -34.167 1.00 0.00 H new ATOM 0 HG21 VAL A 75 10.948 -0.719 -33.748 1.00 0.00 H new ATOM 0 HG22 VAL A 75 12.183 0.068 -32.738 1.00 0.00 H new ATOM 0 HG23 VAL A 75 10.740 -0.649 -31.982 1.00 0.00 H new ATOM 1158 N SER A 76 10.583 4.418 -32.579 1.00 0.00 N ATOM 1159 CA SER A 76 10.040 5.749 -32.813 1.00 0.00 C ATOM 1160 C SER A 76 10.438 6.292 -34.185 1.00 0.00 C ATOM 1161 O SER A 76 11.489 5.946 -34.716 1.00 0.00 O ATOM 1162 CB SER A 76 10.505 6.700 -31.712 1.00 0.00 C ATOM 1163 OG SER A 76 11.911 6.854 -31.753 1.00 0.00 O ATOM 0 H SER A 76 11.524 4.285 -32.948 1.00 0.00 H new ATOM 0 HA SER A 76 8.953 5.675 -32.794 1.00 0.00 H new ATOM 0 HB2 SER A 76 10.023 7.670 -31.833 1.00 0.00 H new ATOM 0 HB3 SER A 76 10.204 6.314 -30.738 1.00 0.00 H new ATOM 0 HG SER A 76 12.194 7.467 -31.043 1.00 0.00 H new ATOM 1169 N TYR A 77 9.580 7.149 -34.755 1.00 0.00 N ATOM 1170 CA TYR A 77 9.790 7.770 -36.059 1.00 0.00 C ATOM 1171 C TYR A 77 9.907 9.289 -36.060 1.00 0.00 C ATOM 1172 O TYR A 77 9.504 9.939 -35.100 1.00 0.00 O ATOM 1173 CB TYR A 77 8.730 7.298 -37.052 1.00 0.00 C ATOM 1174 CG TYR A 77 8.898 5.861 -37.466 1.00 0.00 C ATOM 1175 CD1 TYR A 77 8.260 4.855 -36.726 1.00 0.00 C ATOM 1176 CD2 TYR A 77 9.689 5.534 -38.575 1.00 0.00 C ATOM 1177 CE1 TYR A 77 8.412 3.513 -37.088 1.00 0.00 C ATOM 1178 CE2 TYR A 77 9.844 4.191 -38.948 1.00 0.00 C ATOM 1179 CZ TYR A 77 9.205 3.181 -38.201 1.00 0.00 C ATOM 1180 OH TYR A 77 9.355 1.875 -38.548 1.00 0.00 O ATOM 0 H TYR A 77 8.707 7.432 -34.310 1.00 0.00 H new ATOM 0 HA TYR A 77 10.777 7.430 -36.373 1.00 0.00 H new ATOM 0 HB2 TYR A 77 7.743 7.428 -36.608 1.00 0.00 H new ATOM 0 HB3 TYR A 77 8.766 7.931 -37.939 1.00 0.00 H new ATOM 0 HD1 TYR A 77 7.650 5.117 -35.874 1.00 0.00 H new ATOM 0 HD2 TYR A 77 10.178 6.313 -39.141 1.00 0.00 H new ATOM 0 HE1 TYR A 77 7.924 2.737 -36.517 1.00 0.00 H new ATOM 0 HE2 TYR A 77 10.450 3.932 -39.804 1.00 0.00 H new ATOM 0 HH TYR A 77 10.225 1.749 -38.981 1.00 0.00 H new ATOM 1190 N ASP A 78 10.455 9.863 -37.135 1.00 0.00 N ATOM 1191 CA ASP A 78 10.520 11.311 -37.294 1.00 0.00 C ATOM 1192 C ASP A 78 9.175 11.916 -37.716 1.00 0.00 C ATOM 1193 O ASP A 78 8.964 13.124 -37.620 1.00 0.00 O ATOM 1194 CB ASP A 78 11.657 11.664 -38.262 1.00 0.00 C ATOM 1195 CG ASP A 78 11.722 13.148 -38.613 1.00 0.00 C ATOM 1196 OD1 ASP A 78 11.600 13.975 -37.679 1.00 0.00 O ATOM 1197 OD2 ASP A 78 11.896 13.448 -39.814 1.00 0.00 O ATOM 0 H ASP A 78 10.861 9.339 -37.910 1.00 0.00 H new ATOM 0 HA ASP A 78 10.739 11.759 -36.325 1.00 0.00 H new ATOM 0 HB2 ASP A 78 12.606 11.362 -37.820 1.00 0.00 H new ATOM 0 HB3 ASP A 78 11.535 11.087 -39.179 1.00 0.00 H new ATOM 1202 N ASN A 79 8.260 11.065 -38.180 1.00 0.00 N ATOM 1203 CA ASN A 79 6.926 11.473 -38.580 1.00 0.00 C ATOM 1204 C ASN A 79 5.933 10.320 -38.420 1.00 0.00 C ATOM 1205 O ASN A 79 6.315 9.157 -38.533 1.00 0.00 O ATOM 1206 CB ASN A 79 6.934 12.019 -40.014 1.00 0.00 C ATOM 1207 CG ASN A 79 7.788 11.210 -40.982 1.00 0.00 C ATOM 1208 OD1 ASN A 79 7.762 9.886 -40.871 1.00 0.00 O flip ATOM 1209 ND2 ASN A 79 8.478 11.771 -41.827 1.00 0.00 N flip ATOM 0 H ASN A 79 8.432 10.065 -38.287 1.00 0.00 H new ATOM 0 HA ASN A 79 6.599 12.278 -37.922 1.00 0.00 H new ATOM 0 HB2 ASN A 79 5.910 12.048 -40.386 1.00 0.00 H new ATOM 0 HB3 ASN A 79 7.296 13.047 -39.998 1.00 0.00 H new ATOM 0 HD21 ASN A 79 8.479 12.789 -41.890 1.00 0.00 H new ATOM 0 HD22 ASN A 79 9.050 11.219 -42.466 1.00 0.00 H new ATOM 1216 N PRO A 80 4.657 10.626 -38.162 1.00 0.00 N ATOM 1217 CA PRO A 80 3.637 9.621 -37.907 1.00 0.00 C ATOM 1218 C PRO A 80 3.307 8.806 -39.154 1.00 0.00 C ATOM 1219 O PRO A 80 2.821 7.684 -39.035 1.00 0.00 O ATOM 1220 CB PRO A 80 2.417 10.409 -37.429 1.00 0.00 C ATOM 1221 CG PRO A 80 2.587 11.759 -38.125 1.00 0.00 C ATOM 1222 CD PRO A 80 4.096 11.961 -38.083 1.00 0.00 C ATOM 0 HA PRO A 80 3.976 8.893 -37.170 1.00 0.00 H new ATOM 0 HB2 PRO A 80 1.485 9.922 -37.715 1.00 0.00 H new ATOM 0 HB3 PRO A 80 2.403 10.513 -36.344 1.00 0.00 H new ATOM 0 HG2 PRO A 80 2.208 11.740 -39.147 1.00 0.00 H new ATOM 0 HG3 PRO A 80 2.056 12.555 -37.603 1.00 0.00 H new ATOM 0 HD2 PRO A 80 4.434 12.581 -38.913 1.00 0.00 H new ATOM 0 HD3 PRO A 80 4.401 12.464 -37.165 1.00 0.00 H new ATOM 1230 N VAL A 81 3.562 9.341 -40.348 1.00 0.00 N ATOM 1231 CA VAL A 81 3.232 8.633 -41.577 1.00 0.00 C ATOM 1232 C VAL A 81 4.029 7.337 -41.709 1.00 0.00 C ATOM 1233 O VAL A 81 3.503 6.327 -42.170 1.00 0.00 O ATOM 1234 CB VAL A 81 3.426 9.570 -42.772 1.00 0.00 C ATOM 1235 CG1 VAL A 81 4.903 9.885 -43.024 1.00 0.00 C ATOM 1236 CG2 VAL A 81 2.849 8.924 -44.030 1.00 0.00 C ATOM 0 H VAL A 81 3.993 10.255 -40.486 1.00 0.00 H new ATOM 0 HA VAL A 81 2.184 8.334 -41.549 1.00 0.00 H new ATOM 0 HB VAL A 81 2.909 10.501 -42.539 1.00 0.00 H new ATOM 0 HG11 VAL A 81 4.992 10.553 -43.881 1.00 0.00 H new ATOM 0 HG12 VAL A 81 5.328 10.367 -42.143 1.00 0.00 H new ATOM 0 HG13 VAL A 81 5.443 8.960 -43.227 1.00 0.00 H new ATOM 0 HG21 VAL A 81 2.988 9.593 -44.879 1.00 0.00 H new ATOM 0 HG22 VAL A 81 3.361 7.981 -44.223 1.00 0.00 H new ATOM 0 HG23 VAL A 81 1.785 8.736 -43.887 1.00 0.00 H new ATOM 1246 N SER A 82 5.300 7.357 -41.301 1.00 0.00 N ATOM 1247 CA SER A 82 6.137 6.169 -41.323 1.00 0.00 C ATOM 1248 C SER A 82 5.783 5.233 -40.171 1.00 0.00 C ATOM 1249 O SER A 82 5.988 4.025 -40.273 1.00 0.00 O ATOM 1250 CB SER A 82 7.606 6.572 -41.205 1.00 0.00 C ATOM 1251 OG SER A 82 7.988 7.365 -42.309 1.00 0.00 O ATOM 0 H SER A 82 5.769 8.192 -40.950 1.00 0.00 H new ATOM 0 HA SER A 82 5.966 5.649 -42.265 1.00 0.00 H new ATOM 0 HB2 SER A 82 7.765 7.125 -40.279 1.00 0.00 H new ATOM 0 HB3 SER A 82 8.232 5.681 -41.155 1.00 0.00 H new ATOM 0 HG SER A 82 7.983 8.310 -42.050 1.00 0.00 H new ATOM 1257 N ALA A 83 5.248 5.783 -39.075 1.00 0.00 N ATOM 1258 CA ALA A 83 4.897 4.979 -37.917 1.00 0.00 C ATOM 1259 C ALA A 83 3.628 4.183 -38.184 1.00 0.00 C ATOM 1260 O ALA A 83 3.584 2.986 -37.916 1.00 0.00 O ATOM 1261 CB ALA A 83 4.718 5.892 -36.707 1.00 0.00 C ATOM 0 H ALA A 83 5.052 6.779 -38.973 1.00 0.00 H new ATOM 0 HA ALA A 83 5.699 4.269 -37.714 1.00 0.00 H new ATOM 0 HB1 ALA A 83 4.454 5.293 -35.835 1.00 0.00 H new ATOM 0 HB2 ALA A 83 5.648 6.425 -36.513 1.00 0.00 H new ATOM 0 HB3 ALA A 83 3.923 6.610 -36.908 1.00 0.00 H new ATOM 1267 N GLN A 84 2.589 4.833 -38.715 1.00 0.00 N ATOM 1268 CA GLN A 84 1.322 4.159 -38.972 1.00 0.00 C ATOM 1269 C GLN A 84 1.485 3.137 -40.095 1.00 0.00 C ATOM 1270 O GLN A 84 0.748 2.152 -40.143 1.00 0.00 O ATOM 1271 CB GLN A 84 0.249 5.195 -39.309 1.00 0.00 C ATOM 1272 CG GLN A 84 0.038 6.178 -38.154 1.00 0.00 C ATOM 1273 CD GLN A 84 -0.308 5.482 -36.846 1.00 0.00 C ATOM 1274 OE1 GLN A 84 -1.133 4.573 -36.816 1.00 0.00 O ATOM 1275 NE2 GLN A 84 0.321 5.903 -35.750 1.00 0.00 N ATOM 0 H GLN A 84 2.604 5.820 -38.973 1.00 0.00 H new ATOM 0 HA GLN A 84 1.008 3.620 -38.078 1.00 0.00 H new ATOM 0 HB2 GLN A 84 0.539 5.742 -40.206 1.00 0.00 H new ATOM 0 HB3 GLN A 84 -0.690 4.689 -39.534 1.00 0.00 H new ATOM 0 HG2 GLN A 84 0.942 6.771 -38.017 1.00 0.00 H new ATOM 0 HG3 GLN A 84 -0.761 6.872 -38.414 1.00 0.00 H new ATOM 0 HE21 GLN A 84 1.001 6.661 -35.812 1.00 0.00 H new ATOM 0 HE22 GLN A 84 0.123 5.467 -34.849 1.00 0.00 H new ATOM 1284 N ALA A 85 2.444 3.356 -41.003 1.00 0.00 N ATOM 1285 CA ALA A 85 2.761 2.370 -42.022 1.00 0.00 C ATOM 1286 C ALA A 85 3.432 1.165 -41.376 1.00 0.00 C ATOM 1287 O ALA A 85 3.126 0.027 -41.728 1.00 0.00 O ATOM 1288 CB ALA A 85 3.707 2.983 -43.050 1.00 0.00 C ATOM 0 H ALA A 85 3.007 4.206 -41.046 1.00 0.00 H new ATOM 0 HA ALA A 85 1.842 2.054 -42.515 1.00 0.00 H new ATOM 0 HB1 ALA A 85 3.944 2.242 -43.814 1.00 0.00 H new ATOM 0 HB2 ALA A 85 3.229 3.845 -43.516 1.00 0.00 H new ATOM 0 HB3 ALA A 85 4.625 3.301 -42.556 1.00 0.00 H new ATOM 1294 N ALA A 86 4.346 1.406 -40.434 1.00 0.00 N ATOM 1295 CA ALA A 86 5.051 0.333 -39.760 1.00 0.00 C ATOM 1296 C ALA A 86 4.111 -0.511 -38.895 1.00 0.00 C ATOM 1297 O ALA A 86 4.382 -1.693 -38.685 1.00 0.00 O ATOM 1298 CB ALA A 86 6.172 0.930 -38.915 1.00 0.00 C ATOM 0 H ALA A 86 4.611 2.341 -40.125 1.00 0.00 H new ATOM 0 HA ALA A 86 5.471 -0.334 -40.512 1.00 0.00 H new ATOM 0 HB1 ALA A 86 6.708 0.130 -38.404 1.00 0.00 H new ATOM 0 HB2 ALA A 86 6.862 1.476 -39.559 1.00 0.00 H new ATOM 0 HB3 ALA A 86 5.748 1.612 -38.177 1.00 0.00 H new ATOM 1304 N ILE A 87 3.012 0.064 -38.391 1.00 0.00 N ATOM 1305 CA ILE A 87 2.024 -0.729 -37.665 1.00 0.00 C ATOM 1306 C ILE A 87 1.402 -1.732 -38.626 1.00 0.00 C ATOM 1307 O ILE A 87 1.365 -2.924 -38.340 1.00 0.00 O ATOM 1308 CB ILE A 87 0.933 0.160 -37.058 1.00 0.00 C ATOM 1309 CG1 ILE A 87 1.534 1.094 -36.002 1.00 0.00 C ATOM 1310 CG2 ILE A 87 -0.159 -0.723 -36.441 1.00 0.00 C ATOM 1311 CD1 ILE A 87 0.467 1.853 -35.210 1.00 0.00 C ATOM 0 H ILE A 87 2.791 1.056 -38.472 1.00 0.00 H new ATOM 0 HA ILE A 87 2.521 -1.248 -36.845 1.00 0.00 H new ATOM 0 HB ILE A 87 0.491 0.776 -37.842 1.00 0.00 H new ATOM 0 HG12 ILE A 87 2.146 0.511 -35.313 1.00 0.00 H new ATOM 0 HG13 ILE A 87 2.196 1.809 -36.490 1.00 0.00 H new ATOM 0 HG21 ILE A 87 -0.936 -0.092 -36.009 1.00 0.00 H new ATOM 0 HG22 ILE A 87 -0.594 -1.357 -37.214 1.00 0.00 H new ATOM 0 HG23 ILE A 87 0.276 -1.348 -35.661 1.00 0.00 H new ATOM 0 HD11 ILE A 87 0.949 2.499 -34.477 1.00 0.00 H new ATOM 0 HD12 ILE A 87 -0.129 2.460 -35.892 1.00 0.00 H new ATOM 0 HD13 ILE A 87 -0.180 1.142 -34.697 1.00 0.00 H new ATOM 1323 N GLN A 88 0.910 -1.249 -39.767 1.00 0.00 N ATOM 1324 CA GLN A 88 0.272 -2.107 -40.756 1.00 0.00 C ATOM 1325 C GLN A 88 1.283 -3.065 -41.392 1.00 0.00 C ATOM 1326 O GLN A 88 0.887 -3.997 -42.088 1.00 0.00 O ATOM 1327 CB GLN A 88 -0.387 -1.240 -41.831 1.00 0.00 C ATOM 1328 CG GLN A 88 -1.482 -0.358 -41.228 1.00 0.00 C ATOM 1329 CD GLN A 88 -2.102 0.570 -42.268 1.00 0.00 C ATOM 1330 OE1 GLN A 88 -1.750 0.535 -43.444 1.00 0.00 O ATOM 1331 NE2 GLN A 88 -3.034 1.417 -41.839 1.00 0.00 N ATOM 0 H GLN A 88 0.943 -0.263 -40.027 1.00 0.00 H new ATOM 0 HA GLN A 88 -0.487 -2.710 -40.257 1.00 0.00 H new ATOM 0 HB2 GLN A 88 0.366 -0.615 -42.311 1.00 0.00 H new ATOM 0 HB3 GLN A 88 -0.814 -1.877 -42.606 1.00 0.00 H new ATOM 0 HG2 GLN A 88 -2.259 -0.988 -40.795 1.00 0.00 H new ATOM 0 HG3 GLN A 88 -1.064 0.236 -40.415 1.00 0.00 H new ATOM 0 HE21 GLN A 88 -3.305 1.422 -40.856 1.00 0.00 H new ATOM 0 HE22 GLN A 88 -3.478 2.061 -42.493 1.00 0.00 H new ATOM 1340 N ALA A 89 2.580 -2.839 -41.158 1.00 0.00 N ATOM 1341 CA ALA A 89 3.637 -3.653 -41.731 1.00 0.00 C ATOM 1342 C ALA A 89 4.066 -4.795 -40.814 1.00 0.00 C ATOM 1343 O ALA A 89 4.510 -5.835 -41.303 1.00 0.00 O ATOM 1344 CB ALA A 89 4.827 -2.743 -42.020 1.00 0.00 C ATOM 0 H ALA A 89 2.919 -2.083 -40.563 1.00 0.00 H new ATOM 0 HA ALA A 89 3.260 -4.116 -42.643 1.00 0.00 H new ATOM 0 HB1 ALA A 89 5.637 -3.330 -42.452 1.00 0.00 H new ATOM 0 HB2 ALA A 89 4.528 -1.965 -42.722 1.00 0.00 H new ATOM 0 HB3 ALA A 89 5.167 -2.283 -41.092 1.00 0.00 H new ATOM 1350 N MET A 90 3.945 -4.618 -39.490 1.00 0.00 N ATOM 1351 CA MET A 90 4.415 -5.617 -38.538 1.00 0.00 C ATOM 1352 C MET A 90 3.315 -6.155 -37.626 1.00 0.00 C ATOM 1353 O MET A 90 3.481 -7.214 -37.026 1.00 0.00 O ATOM 1354 CB MET A 90 5.574 -5.042 -37.718 1.00 0.00 C ATOM 1355 CG MET A 90 6.819 -4.849 -38.589 1.00 0.00 C ATOM 1356 SD MET A 90 7.488 -6.358 -39.338 1.00 0.00 S ATOM 1357 CE MET A 90 7.892 -7.301 -37.844 1.00 0.00 C ATOM 0 H MET A 90 3.526 -3.792 -39.062 1.00 0.00 H new ATOM 0 HA MET A 90 4.761 -6.473 -39.118 1.00 0.00 H new ATOM 0 HB2 MET A 90 5.278 -4.087 -37.283 1.00 0.00 H new ATOM 0 HB3 MET A 90 5.805 -5.711 -36.890 1.00 0.00 H new ATOM 0 HG2 MET A 90 6.578 -4.145 -39.385 1.00 0.00 H new ATOM 0 HG3 MET A 90 7.599 -4.389 -37.981 1.00 0.00 H new ATOM 0 HE1 MET A 90 8.398 -8.225 -38.123 1.00 0.00 H new ATOM 0 HE2 MET A 90 8.546 -6.708 -37.205 1.00 0.00 H new ATOM 0 HE3 MET A 90 6.975 -7.538 -37.304 1.00 0.00 H new ATOM 1367 N ASN A 91 2.186 -5.452 -37.505 1.00 0.00 N ATOM 1368 CA ASN A 91 1.062 -5.961 -36.735 1.00 0.00 C ATOM 1369 C ASN A 91 0.516 -7.198 -37.445 1.00 0.00 C ATOM 1370 O ASN A 91 0.345 -7.199 -38.663 1.00 0.00 O ATOM 1371 CB ASN A 91 -0.016 -4.877 -36.618 1.00 0.00 C ATOM 1372 CG ASN A 91 -1.068 -5.225 -35.578 1.00 0.00 C ATOM 1373 OD1 ASN A 91 -0.885 -6.120 -34.758 1.00 0.00 O ATOM 1374 ND2 ASN A 91 -2.189 -4.512 -35.605 1.00 0.00 N ATOM 0 H ASN A 91 2.032 -4.537 -37.929 1.00 0.00 H new ATOM 0 HA ASN A 91 1.378 -6.232 -35.728 1.00 0.00 H new ATOM 0 HB2 ASN A 91 0.452 -3.928 -36.356 1.00 0.00 H new ATOM 0 HB3 ASN A 91 -0.497 -4.739 -37.587 1.00 0.00 H new ATOM 0 HD21 ASN A 91 -2.930 -4.701 -34.930 1.00 0.00 H new ATOM 0 HD22 ASN A 91 -2.308 -3.775 -36.300 1.00 0.00 H new ATOM 1381 N GLY A 92 0.242 -8.258 -36.683 1.00 0.00 N ATOM 1382 CA GLY A 92 -0.272 -9.505 -37.227 1.00 0.00 C ATOM 1383 C GLY A 92 0.816 -10.339 -37.911 1.00 0.00 C ATOM 1384 O GLY A 92 0.510 -11.398 -38.456 1.00 0.00 O ATOM 0 H GLY A 92 0.372 -8.271 -35.671 1.00 0.00 H new ATOM 0 HA2 GLY A 92 -0.723 -10.089 -36.425 1.00 0.00 H new ATOM 0 HA3 GLY A 92 -1.063 -9.286 -37.945 1.00 0.00 H new ATOM 1388 N PHE A 93 2.073 -9.885 -37.896 1.00 0.00 N ATOM 1389 CA PHE A 93 3.169 -10.632 -38.501 1.00 0.00 C ATOM 1390 C PHE A 93 3.386 -11.956 -37.775 1.00 0.00 C ATOM 1391 O PHE A 93 3.702 -11.958 -36.587 1.00 0.00 O ATOM 1392 CB PHE A 93 4.434 -9.770 -38.507 1.00 0.00 C ATOM 1393 CG PHE A 93 5.679 -10.458 -39.029 1.00 0.00 C ATOM 1394 CD1 PHE A 93 6.458 -11.256 -38.178 1.00 0.00 C ATOM 1395 CD2 PHE A 93 6.054 -10.287 -40.368 1.00 0.00 C ATOM 1396 CE1 PHE A 93 7.615 -11.879 -38.670 1.00 0.00 C ATOM 1397 CE2 PHE A 93 7.209 -10.909 -40.859 1.00 0.00 C ATOM 1398 CZ PHE A 93 7.988 -11.705 -40.009 1.00 0.00 C ATOM 0 H PHE A 93 2.352 -9.002 -37.469 1.00 0.00 H new ATOM 0 HA PHE A 93 2.917 -10.874 -39.533 1.00 0.00 H new ATOM 0 HB2 PHE A 93 4.247 -8.883 -39.112 1.00 0.00 H new ATOM 0 HB3 PHE A 93 4.626 -9.428 -37.490 1.00 0.00 H new ATOM 0 HD1 PHE A 93 6.168 -11.391 -37.146 1.00 0.00 H new ATOM 0 HD2 PHE A 93 5.452 -9.675 -41.023 1.00 0.00 H new ATOM 0 HE1 PHE A 93 8.218 -12.492 -38.017 1.00 0.00 H new ATOM 0 HE2 PHE A 93 7.499 -10.775 -41.891 1.00 0.00 H new ATOM 0 HZ PHE A 93 8.878 -12.186 -40.387 1.00 0.00 H new ATOM 1408 N GLN A 94 3.217 -13.086 -38.463 1.00 0.00 N ATOM 1409 CA GLN A 94 3.352 -14.373 -37.805 1.00 0.00 C ATOM 1410 C GLN A 94 4.810 -14.706 -37.526 1.00 0.00 C ATOM 1411 O GLN A 94 5.656 -14.626 -38.416 1.00 0.00 O ATOM 1412 CB GLN A 94 2.681 -15.482 -38.624 1.00 0.00 C ATOM 1413 CG GLN A 94 2.850 -16.816 -37.891 1.00 0.00 C ATOM 1414 CD GLN A 94 2.026 -17.943 -38.509 1.00 0.00 C ATOM 1415 OE1 GLN A 94 1.351 -17.764 -39.520 1.00 0.00 O ATOM 1416 NE2 GLN A 94 2.077 -19.124 -37.897 1.00 0.00 N ATOM 0 H GLN A 94 2.991 -13.131 -39.457 1.00 0.00 H new ATOM 0 HA GLN A 94 2.841 -14.307 -36.844 1.00 0.00 H new ATOM 0 HB2 GLN A 94 1.623 -15.260 -38.762 1.00 0.00 H new ATOM 0 HB3 GLN A 94 3.127 -15.539 -39.617 1.00 0.00 H new ATOM 0 HG2 GLN A 94 3.903 -17.097 -37.897 1.00 0.00 H new ATOM 0 HG3 GLN A 94 2.560 -16.691 -36.848 1.00 0.00 H new ATOM 0 HE21 GLN A 94 2.647 -19.240 -37.059 1.00 0.00 H new ATOM 0 HE22 GLN A 94 1.546 -19.913 -38.266 1.00 0.00 H new ATOM 1425 N ILE A 95 5.095 -15.083 -36.278 1.00 0.00 N ATOM 1426 CA ILE A 95 6.410 -15.532 -35.863 1.00 0.00 C ATOM 1427 C ILE A 95 6.212 -16.589 -34.780 1.00 0.00 C ATOM 1428 O ILE A 95 5.558 -16.342 -33.767 1.00 0.00 O ATOM 1429 CB ILE A 95 7.229 -14.316 -35.410 1.00 0.00 C ATOM 1430 CG1 ILE A 95 8.688 -14.719 -35.182 1.00 0.00 C ATOM 1431 CG2 ILE A 95 6.659 -13.665 -34.146 1.00 0.00 C ATOM 1432 CD1 ILE A 95 9.576 -13.479 -35.093 1.00 0.00 C ATOM 0 H ILE A 95 4.407 -15.082 -35.525 1.00 0.00 H new ATOM 0 HA ILE A 95 6.976 -15.993 -36.672 1.00 0.00 H new ATOM 0 HB ILE A 95 7.173 -13.575 -36.208 1.00 0.00 H new ATOM 0 HG12 ILE A 95 8.772 -15.301 -34.264 1.00 0.00 H new ATOM 0 HG13 ILE A 95 9.027 -15.359 -35.997 1.00 0.00 H new ATOM 0 HG21 ILE A 95 7.275 -12.810 -33.868 1.00 0.00 H new ATOM 0 HG22 ILE A 95 5.639 -13.331 -34.337 1.00 0.00 H new ATOM 0 HG23 ILE A 95 6.657 -14.390 -33.332 1.00 0.00 H new ATOM 0 HD11 ILE A 95 10.610 -13.783 -34.931 1.00 0.00 H new ATOM 0 HD12 ILE A 95 9.505 -12.914 -36.022 1.00 0.00 H new ATOM 0 HD13 ILE A 95 9.247 -12.855 -34.262 1.00 0.00 H new ATOM 1444 N GLY A 96 6.772 -17.783 -34.980 1.00 0.00 N ATOM 1445 CA GLY A 96 6.522 -18.884 -34.064 1.00 0.00 C ATOM 1446 C GLY A 96 5.038 -19.249 -34.070 1.00 0.00 C ATOM 1447 O GLY A 96 4.372 -19.165 -35.104 1.00 0.00 O ATOM 0 H GLY A 96 7.393 -18.006 -35.758 1.00 0.00 H new ATOM 0 HA2 GLY A 96 7.118 -19.750 -34.353 1.00 0.00 H new ATOM 0 HA3 GLY A 96 6.832 -18.606 -33.057 1.00 0.00 H new ATOM 1451 N MET A 97 4.519 -19.655 -32.909 1.00 0.00 N ATOM 1452 CA MET A 97 3.128 -20.064 -32.746 1.00 0.00 C ATOM 1453 C MET A 97 2.185 -18.876 -32.511 1.00 0.00 C ATOM 1454 O MET A 97 1.019 -19.086 -32.175 1.00 0.00 O ATOM 1455 CB MET A 97 3.032 -21.095 -31.619 1.00 0.00 C ATOM 1456 CG MET A 97 3.433 -20.491 -30.273 1.00 0.00 C ATOM 1457 SD MET A 97 3.377 -21.653 -28.885 1.00 0.00 S ATOM 1458 CE MET A 97 4.689 -22.803 -29.382 1.00 0.00 C ATOM 0 H MET A 97 5.062 -19.708 -32.047 1.00 0.00 H new ATOM 0 HA MET A 97 2.797 -20.521 -33.679 1.00 0.00 H new ATOM 0 HB2 MET A 97 2.013 -21.476 -31.559 1.00 0.00 H new ATOM 0 HB3 MET A 97 3.677 -21.944 -31.845 1.00 0.00 H new ATOM 0 HG2 MET A 97 4.443 -20.090 -30.355 1.00 0.00 H new ATOM 0 HG3 MET A 97 2.774 -19.651 -30.055 1.00 0.00 H new ATOM 0 HE1 MET A 97 4.985 -23.409 -28.526 1.00 0.00 H new ATOM 0 HE2 MET A 97 4.322 -23.452 -30.177 1.00 0.00 H new ATOM 0 HE3 MET A 97 5.550 -22.239 -29.742 1.00 0.00 H new ATOM 1468 N LYS A 98 2.661 -17.635 -32.677 1.00 0.00 N ATOM 1469 CA LYS A 98 1.855 -16.435 -32.456 1.00 0.00 C ATOM 1470 C LYS A 98 2.124 -15.375 -33.523 1.00 0.00 C ATOM 1471 O LYS A 98 2.947 -15.571 -34.412 1.00 0.00 O ATOM 1472 CB LYS A 98 2.107 -15.860 -31.053 1.00 0.00 C ATOM 1473 CG LYS A 98 1.598 -16.788 -29.951 1.00 0.00 C ATOM 1474 CD LYS A 98 1.479 -16.050 -28.617 1.00 0.00 C ATOM 1475 CE LYS A 98 2.807 -15.453 -28.146 1.00 0.00 C ATOM 1476 NZ LYS A 98 3.816 -16.497 -27.895 1.00 0.00 N ATOM 0 H LYS A 98 3.618 -17.438 -32.969 1.00 0.00 H new ATOM 0 HA LYS A 98 0.807 -16.726 -32.530 1.00 0.00 H new ATOM 0 HB2 LYS A 98 3.175 -15.690 -30.918 1.00 0.00 H new ATOM 0 HB3 LYS A 98 1.616 -14.891 -30.965 1.00 0.00 H new ATOM 0 HG2 LYS A 98 0.626 -17.193 -30.233 1.00 0.00 H new ATOM 0 HG3 LYS A 98 2.277 -17.634 -29.842 1.00 0.00 H new ATOM 0 HD2 LYS A 98 0.742 -15.253 -28.713 1.00 0.00 H new ATOM 0 HD3 LYS A 98 1.107 -16.739 -27.859 1.00 0.00 H new ATOM 0 HE2 LYS A 98 3.181 -14.759 -28.899 1.00 0.00 H new ATOM 0 HE3 LYS A 98 2.644 -14.878 -27.235 1.00 0.00 H new ATOM 0 HZ1 LYS A 98 4.673 -16.063 -27.497 1.00 0.00 H new ATOM 0 HZ2 LYS A 98 3.436 -17.192 -27.222 1.00 0.00 H new ATOM 0 HZ3 LYS A 98 4.052 -16.974 -28.789 1.00 0.00 H new ATOM 1490 N ARG A 99 1.418 -14.244 -33.422 1.00 0.00 N ATOM 1491 CA ARG A 99 1.603 -13.098 -34.300 1.00 0.00 C ATOM 1492 C ARG A 99 2.032 -11.884 -33.487 1.00 0.00 C ATOM 1493 O ARG A 99 1.592 -11.718 -32.349 1.00 0.00 O ATOM 1494 CB ARG A 99 0.311 -12.815 -35.069 1.00 0.00 C ATOM 1495 CG ARG A 99 -0.066 -13.984 -35.981 1.00 0.00 C ATOM 1496 CD ARG A 99 -1.373 -13.675 -36.710 1.00 0.00 C ATOM 1497 NE ARG A 99 -1.727 -14.759 -37.630 1.00 0.00 N ATOM 1498 CZ ARG A 99 -1.409 -14.787 -38.929 1.00 0.00 C ATOM 1499 NH1 ARG A 99 -0.708 -13.805 -39.488 1.00 0.00 N ATOM 1500 NH2 ARG A 99 -1.798 -15.814 -39.678 1.00 0.00 N ATOM 0 H ARG A 99 0.694 -14.103 -32.717 1.00 0.00 H new ATOM 0 HA ARG A 99 2.388 -13.320 -35.022 1.00 0.00 H new ATOM 0 HB2 ARG A 99 -0.499 -12.626 -34.365 1.00 0.00 H new ATOM 0 HB3 ARG A 99 0.432 -11.911 -35.666 1.00 0.00 H new ATOM 0 HG2 ARG A 99 0.730 -14.164 -36.704 1.00 0.00 H new ATOM 0 HG3 ARG A 99 -0.174 -14.895 -35.393 1.00 0.00 H new ATOM 0 HD2 ARG A 99 -2.174 -13.532 -35.984 1.00 0.00 H new ATOM 0 HD3 ARG A 99 -1.274 -12.741 -37.263 1.00 0.00 H new ATOM 0 HE ARG A 99 -2.253 -15.548 -37.253 1.00 0.00 H new ATOM 0 HH11 ARG A 99 -0.403 -13.012 -38.924 1.00 0.00 H new ATOM 0 HH12 ARG A 99 -0.476 -13.845 -40.480 1.00 0.00 H new ATOM 0 HH21 ARG A 99 -2.336 -16.574 -39.262 1.00 0.00 H new ATOM 0 HH22 ARG A 99 -1.559 -15.842 -40.669 1.00 0.00 H new ATOM 1514 N LEU A 100 2.886 -11.034 -34.056 1.00 0.00 N ATOM 1515 CA LEU A 100 3.353 -9.828 -33.386 1.00 0.00 C ATOM 1516 C LEU A 100 2.215 -8.833 -33.199 1.00 0.00 C ATOM 1517 O LEU A 100 1.449 -8.574 -34.127 1.00 0.00 O ATOM 1518 CB LEU A 100 4.483 -9.180 -34.189 1.00 0.00 C ATOM 1519 CG LEU A 100 5.729 -10.071 -34.277 1.00 0.00 C ATOM 1520 CD1 LEU A 100 6.795 -9.354 -35.099 1.00 0.00 C ATOM 1521 CD2 LEU A 100 6.290 -10.354 -32.890 1.00 0.00 C ATOM 0 H LEU A 100 3.271 -11.164 -34.992 1.00 0.00 H new ATOM 0 HA LEU A 100 3.729 -10.112 -32.403 1.00 0.00 H new ATOM 0 HB2 LEU A 100 4.128 -8.958 -35.195 1.00 0.00 H new ATOM 0 HB3 LEU A 100 4.752 -8.229 -33.729 1.00 0.00 H new ATOM 0 HG LEU A 100 5.450 -11.015 -34.745 1.00 0.00 H new ATOM 0 HD11 LEU A 100 7.685 -9.980 -35.167 1.00 0.00 H new ATOM 0 HD12 LEU A 100 6.412 -9.158 -36.100 1.00 0.00 H new ATOM 0 HD13 LEU A 100 7.052 -8.410 -34.618 1.00 0.00 H new ATOM 0 HD21 LEU A 100 7.173 -10.987 -32.977 1.00 0.00 H new ATOM 0 HD22 LEU A 100 6.563 -9.415 -32.409 1.00 0.00 H new ATOM 0 HD23 LEU A 100 5.536 -10.863 -32.289 1.00 0.00 H new ATOM 1533 N LYS A 101 2.110 -8.271 -31.991 1.00 0.00 N ATOM 1534 CA LYS A 101 1.173 -7.196 -31.700 1.00 0.00 C ATOM 1535 C LYS A 101 1.914 -5.866 -31.813 1.00 0.00 C ATOM 1536 O LYS A 101 3.013 -5.722 -31.276 1.00 0.00 O ATOM 1537 CB LYS A 101 0.571 -7.403 -30.308 1.00 0.00 C ATOM 1538 CG LYS A 101 -0.362 -6.253 -29.918 1.00 0.00 C ATOM 1539 CD LYS A 101 -0.763 -6.360 -28.445 1.00 0.00 C ATOM 1540 CE LYS A 101 -1.560 -7.627 -28.135 1.00 0.00 C ATOM 1541 NZ LYS A 101 -2.869 -7.623 -28.816 1.00 0.00 N ATOM 0 H LYS A 101 2.676 -8.553 -31.190 1.00 0.00 H new ATOM 0 HA LYS A 101 0.348 -7.193 -32.412 1.00 0.00 H new ATOM 0 HB2 LYS A 101 0.019 -8.343 -30.286 1.00 0.00 H new ATOM 0 HB3 LYS A 101 1.372 -7.487 -29.574 1.00 0.00 H new ATOM 0 HG2 LYS A 101 0.134 -5.299 -30.097 1.00 0.00 H new ATOM 0 HG3 LYS A 101 -1.253 -6.272 -30.545 1.00 0.00 H new ATOM 0 HD2 LYS A 101 0.135 -6.342 -27.827 1.00 0.00 H new ATOM 0 HD3 LYS A 101 -1.356 -5.488 -28.171 1.00 0.00 H new ATOM 0 HE2 LYS A 101 -0.990 -8.502 -28.446 1.00 0.00 H new ATOM 0 HE3 LYS A 101 -1.709 -7.710 -27.058 1.00 0.00 H new ATOM 0 HZ1 LYS A 101 -3.431 -8.436 -28.492 1.00 0.00 H new ATOM 0 HZ2 LYS A 101 -3.374 -6.742 -28.592 1.00 0.00 H new ATOM 0 HZ3 LYS A 101 -2.726 -7.688 -29.844 1.00 0.00 H new ATOM 1555 N VAL A 102 1.312 -4.899 -32.509 1.00 0.00 N ATOM 1556 CA VAL A 102 1.883 -3.567 -32.662 1.00 0.00 C ATOM 1557 C VAL A 102 0.796 -2.522 -32.441 1.00 0.00 C ATOM 1558 O VAL A 102 -0.335 -2.712 -32.888 1.00 0.00 O ATOM 1559 CB VAL A 102 2.557 -3.425 -34.030 1.00 0.00 C ATOM 1560 CG1 VAL A 102 3.211 -2.054 -34.195 1.00 0.00 C ATOM 1561 CG2 VAL A 102 3.633 -4.492 -34.230 1.00 0.00 C ATOM 0 H VAL A 102 0.416 -5.021 -32.981 1.00 0.00 H new ATOM 0 HA VAL A 102 2.658 -3.409 -31.912 1.00 0.00 H new ATOM 0 HB VAL A 102 1.770 -3.546 -34.774 1.00 0.00 H new ATOM 0 HG11 VAL A 102 3.679 -1.990 -35.177 1.00 0.00 H new ATOM 0 HG12 VAL A 102 2.453 -1.276 -34.103 1.00 0.00 H new ATOM 0 HG13 VAL A 102 3.968 -1.917 -33.423 1.00 0.00 H new ATOM 0 HG21 VAL A 102 4.093 -4.365 -35.210 1.00 0.00 H new ATOM 0 HG22 VAL A 102 4.394 -4.391 -33.456 1.00 0.00 H new ATOM 0 HG23 VAL A 102 3.180 -5.482 -34.167 1.00 0.00 H new ATOM 1571 N GLN A 103 1.130 -1.425 -31.756 1.00 0.00 N ATOM 1572 CA GLN A 103 0.161 -0.390 -31.410 1.00 0.00 C ATOM 1573 C GLN A 103 0.852 0.967 -31.252 1.00 0.00 C ATOM 1574 O GLN A 103 2.059 1.031 -31.036 1.00 0.00 O ATOM 1575 CB GLN A 103 -0.568 -0.822 -30.129 1.00 0.00 C ATOM 1576 CG GLN A 103 -1.595 0.215 -29.654 1.00 0.00 C ATOM 1577 CD GLN A 103 -2.498 -0.313 -28.541 1.00 0.00 C ATOM 1578 OE1 GLN A 103 -2.895 -1.581 -28.614 1.00 0.00 O flip ATOM 1579 NE2 GLN A 103 -2.838 0.420 -27.617 1.00 0.00 N flip ATOM 0 H GLN A 103 2.077 -1.233 -31.428 1.00 0.00 H new ATOM 0 HA GLN A 103 -0.570 -0.271 -32.209 1.00 0.00 H new ATOM 0 HB2 GLN A 103 -1.072 -1.772 -30.306 1.00 0.00 H new ATOM 0 HB3 GLN A 103 0.164 -0.991 -29.339 1.00 0.00 H new ATOM 0 HG2 GLN A 103 -1.071 1.103 -29.300 1.00 0.00 H new ATOM 0 HG3 GLN A 103 -2.210 0.524 -30.499 1.00 0.00 H new ATOM 0 HE21 GLN A 103 -2.517 1.388 -27.589 1.00 0.00 H new ATOM 0 HE22 GLN A 103 -3.441 0.061 -26.877 1.00 0.00 H new ATOM 1588 N LEU A 104 0.091 2.058 -31.355 1.00 0.00 N ATOM 1589 CA LEU A 104 0.606 3.408 -31.192 1.00 0.00 C ATOM 1590 C LEU A 104 1.063 3.623 -29.745 1.00 0.00 C ATOM 1591 O LEU A 104 0.318 3.327 -28.808 1.00 0.00 O ATOM 1592 CB LEU A 104 -0.499 4.387 -31.626 1.00 0.00 C ATOM 1593 CG LEU A 104 -0.075 5.859 -31.702 1.00 0.00 C ATOM 1594 CD1 LEU A 104 -1.147 6.617 -32.482 1.00 0.00 C ATOM 1595 CD2 LEU A 104 0.035 6.506 -30.325 1.00 0.00 C ATOM 0 H LEU A 104 -0.908 2.023 -31.556 1.00 0.00 H new ATOM 0 HA LEU A 104 1.483 3.580 -31.815 1.00 0.00 H new ATOM 0 HB2 LEU A 104 -0.869 4.081 -32.605 1.00 0.00 H new ATOM 0 HB3 LEU A 104 -1.332 4.301 -30.929 1.00 0.00 H new ATOM 0 HG LEU A 104 0.904 5.901 -32.179 1.00 0.00 H new ATOM 0 HD11 LEU A 104 -0.871 7.669 -32.552 1.00 0.00 H new ATOM 0 HD12 LEU A 104 -1.233 6.197 -33.484 1.00 0.00 H new ATOM 0 HD13 LEU A 104 -2.104 6.526 -31.968 1.00 0.00 H new ATOM 0 HD21 LEU A 104 0.338 7.547 -30.435 1.00 0.00 H new ATOM 0 HD22 LEU A 104 -0.932 6.461 -29.823 1.00 0.00 H new ATOM 0 HD23 LEU A 104 0.777 5.973 -29.731 1.00 0.00 H new ATOM 1607 N LYS A 105 2.286 4.135 -29.557 1.00 0.00 N ATOM 1608 CA LYS A 105 2.860 4.357 -28.236 1.00 0.00 C ATOM 1609 C LYS A 105 2.479 5.719 -27.667 1.00 0.00 C ATOM 1610 O LYS A 105 2.717 6.751 -28.296 1.00 0.00 O ATOM 1611 CB LYS A 105 4.374 4.184 -28.315 1.00 0.00 C ATOM 1612 CG LYS A 105 5.038 4.406 -26.961 1.00 0.00 C ATOM 1613 CD LYS A 105 6.525 4.094 -27.080 1.00 0.00 C ATOM 1614 CE LYS A 105 7.211 4.238 -25.725 1.00 0.00 C ATOM 1615 NZ LYS A 105 6.781 3.185 -24.783 1.00 0.00 N ATOM 0 H LYS A 105 2.902 4.406 -30.323 1.00 0.00 H new ATOM 0 HA LYS A 105 2.450 3.618 -27.547 1.00 0.00 H new ATOM 0 HB2 LYS A 105 4.608 3.182 -28.675 1.00 0.00 H new ATOM 0 HB3 LYS A 105 4.783 4.887 -29.041 1.00 0.00 H new ATOM 0 HG2 LYS A 105 4.894 5.436 -26.636 1.00 0.00 H new ATOM 0 HG3 LYS A 105 4.578 3.767 -26.207 1.00 0.00 H new ATOM 0 HD2 LYS A 105 6.661 3.080 -27.457 1.00 0.00 H new ATOM 0 HD3 LYS A 105 6.987 4.767 -27.802 1.00 0.00 H new ATOM 0 HE2 LYS A 105 8.292 4.190 -25.857 1.00 0.00 H new ATOM 0 HE3 LYS A 105 6.985 5.218 -25.304 1.00 0.00 H new ATOM 0 HZ1 LYS A 105 6.433 3.624 -23.907 1.00 0.00 H new ATOM 0 HZ2 LYS A 105 6.020 2.623 -25.214 1.00 0.00 H new ATOM 0 HZ3 LYS A 105 7.587 2.565 -24.564 1.00 0.00 H new