USER MOD reduce.3.24.130724 H: found=0, std=0, add=712, rem=0, adj=16 USER MOD reduce.3.24.130724 removed 713 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 76 SER OG : rot 76:sc=0.000474 USER MOD Set 1.2: A 81 ASN : amide:sc= -1.45 K(o=-1.5,f=-2.9!) USER MOD Single : A 30 GLN :FLIP amide:sc= -6.01! C(o=-7.2!,f=-6!) USER MOD Single : A 31 THR OG1 : rot -146:sc= 0.0316 USER MOD Single : A 32 LYS NZ :NH3+ 170:sc= 0 (180deg=-0.115) USER MOD Single : A 34 THR OG1 : rot 180:sc= 0 USER MOD Single : A 37 ASN :FLIP amide:sc= -1.69! C(o=-5.3!,f=-1.7!) USER MOD Single : A 46 GLN : amide:sc= -0.144 X(o=-0.14,f=-0.069) USER MOD Single : A 47 ASN : amide:sc= -0.0126 X(o=-0.013,f=-0.23) USER MOD Single : A 50 TYR OH : rot 180:sc= 0 USER MOD Single : A 52 GLN : amide:sc= -1.11 X(o=-1.1,f=-1.4) USER MOD Single : A 54 SER OG : rot -170:sc= -0.61 USER MOD Single : A 55 HIS : no HE2:sc= -8.15! C(o=-8.1!,f=-8.2!) USER MOD Single : A 58 ASN : amide:sc= -0.116 X(o=-0.12,f=0) USER MOD Single : A 59 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 64 SER OG : rot 180:sc= 0 USER MOD Single : A 69 GLN : amide:sc= 0 X(o=0,f=-0.01) USER MOD Single : A 79 HIS : no HD1:sc= 0 X(o=0,f=0) USER MOD Single : A 85 TYR OH : rot 180:sc= 0 USER MOD Single : A 86 THR OG1 : rot 180:sc= 0.249 USER MOD Single : A 92 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 95 GLN : amide:sc= -0.459 K(o=-0.46,f=-3!) USER MOD Single : A 96 ASN :FLIP amide:sc= -1.75 F(o=-4.3!,f=-1.7) USER MOD Single : A 98 THR OG1 : rot 180:sc= 0 USER MOD Single : A 101 THR OG1 : rot 78:sc= 1.07 USER MOD Single : A 104 GLN : amide:sc= -1.06 X(o=-1.1,f=-1.1) USER MOD Single : A 106 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 108 TYR OH : rot 180:sc=-0.00452 USER MOD ----------------------------------------------------------------- ATOM 380 N VAL A 28 -11.155 -0.149 -11.264 1.00 0.00 N ATOM 381 CA VAL A 28 -10.307 -1.095 -10.548 1.00 0.00 C ATOM 382 C VAL A 28 -9.252 -1.695 -11.471 1.00 0.00 C ATOM 383 O VAL A 28 -9.578 -2.292 -12.497 1.00 0.00 O ATOM 384 CB VAL A 28 -11.137 -2.234 -9.926 1.00 0.00 C ATOM 385 CG1 VAL A 28 -10.226 -3.298 -9.334 1.00 0.00 C ATOM 386 CG2 VAL A 28 -12.086 -1.686 -8.871 1.00 0.00 C ATOM 0 HA VAL A 28 -9.814 -0.538 -9.751 1.00 0.00 H new ATOM 0 HB VAL A 28 -11.732 -2.697 -10.713 1.00 0.00 H new ATOM 0 HG11 VAL A 28 -10.831 -4.094 -8.899 1.00 0.00 H new ATOM 0 HG12 VAL A 28 -9.592 -3.711 -10.118 1.00 0.00 H new ATOM 0 HG13 VAL A 28 -9.602 -2.853 -8.559 1.00 0.00 H new ATOM 0 HG21 VAL A 28 -12.665 -2.504 -8.442 1.00 0.00 H new ATOM 0 HG22 VAL A 28 -11.512 -1.196 -8.085 1.00 0.00 H new ATOM 0 HG23 VAL A 28 -12.762 -0.965 -9.330 1.00 0.00 H new ATOM 396 N ILE A 29 -7.987 -1.533 -11.098 1.00 0.00 N ATOM 397 CA ILE A 29 -6.884 -2.060 -11.892 1.00 0.00 C ATOM 398 C ILE A 29 -6.407 -3.402 -11.346 1.00 0.00 C ATOM 399 O ILE A 29 -6.397 -3.622 -10.136 1.00 0.00 O ATOM 400 CB ILE A 29 -5.696 -1.081 -11.925 1.00 0.00 C ATOM 401 CG1 ILE A 29 -6.146 0.282 -12.457 1.00 0.00 C ATOM 402 CG2 ILE A 29 -4.570 -1.643 -12.779 1.00 0.00 C ATOM 403 CD1 ILE A 29 -6.470 0.277 -13.935 1.00 0.00 C ATOM 0 H ILE A 29 -7.701 -1.041 -10.251 1.00 0.00 H new ATOM 0 HA ILE A 29 -7.261 -2.195 -12.906 1.00 0.00 H new ATOM 0 HB ILE A 29 -5.324 -0.949 -10.909 1.00 0.00 H new ATOM 0 HG12 ILE A 29 -7.026 0.607 -11.902 1.00 0.00 H new ATOM 0 HG13 ILE A 29 -5.361 1.014 -12.268 1.00 0.00 H new ATOM 0 HG21 ILE A 29 -3.738 -0.939 -12.792 1.00 0.00 H new ATOM 0 HG22 ILE A 29 -4.236 -2.593 -12.361 1.00 0.00 H new ATOM 0 HG23 ILE A 29 -4.929 -1.800 -13.796 1.00 0.00 H new ATOM 0 HD11 ILE A 29 -6.782 1.275 -14.243 1.00 0.00 H new ATOM 0 HD12 ILE A 29 -5.586 -0.017 -14.500 1.00 0.00 H new ATOM 0 HD13 ILE A 29 -7.276 -0.430 -14.128 1.00 0.00 H new ATOM 415 N GLN A 30 -6.010 -4.294 -12.249 1.00 0.00 N ATOM 416 CA GLN A 30 -5.530 -5.614 -11.857 1.00 0.00 C ATOM 417 C GLN A 30 -4.649 -6.218 -12.946 1.00 0.00 C ATOM 418 O GLN A 30 -5.088 -6.409 -14.080 1.00 0.00 O ATOM 419 CB GLN A 30 -6.710 -6.543 -11.566 1.00 0.00 C ATOM 420 CG GLN A 30 -7.583 -6.817 -12.780 1.00 0.00 C ATOM 421 CD GLN A 30 -7.727 -5.606 -13.680 1.00 0.00 C ATOM 422 OE1 GLN A 30 -8.384 -4.568 -13.175 1.00 0.00 O flip ATOM 423 NE2 GLN A 30 -7.254 -5.603 -14.817 1.00 0.00 N flip ATOM 0 H GLN A 30 -6.011 -4.127 -13.255 1.00 0.00 H new ATOM 0 HA GLN A 30 -4.933 -5.502 -10.952 1.00 0.00 H new ATOM 0 HB2 GLN A 30 -6.330 -7.489 -11.181 1.00 0.00 H new ATOM 0 HB3 GLN A 30 -7.323 -6.102 -10.780 1.00 0.00 H new ATOM 0 HG2 GLN A 30 -7.156 -7.641 -13.352 1.00 0.00 H new ATOM 0 HG3 GLN A 30 -8.570 -7.138 -12.448 1.00 0.00 H new ATOM 0 HE21 GLN A 30 -6.756 -6.423 -15.165 1.00 0.00 H new ATOM 0 HE22 GLN A 30 -7.360 -4.781 -15.411 1.00 0.00 H new ATOM 432 N THR A 31 -3.402 -6.516 -12.594 1.00 0.00 N ATOM 433 CA THR A 31 -2.458 -7.096 -13.541 1.00 0.00 C ATOM 434 C THR A 31 -1.532 -8.092 -12.853 1.00 0.00 C ATOM 435 O THR A 31 -1.301 -8.010 -11.646 1.00 0.00 O ATOM 436 CB THR A 31 -1.608 -6.008 -14.224 1.00 0.00 C ATOM 437 OG1 THR A 31 -1.146 -6.475 -15.496 1.00 0.00 O ATOM 438 CG2 THR A 31 -0.418 -5.627 -13.355 1.00 0.00 C ATOM 0 H THR A 31 -3.022 -6.365 -11.659 1.00 0.00 H new ATOM 0 HA THR A 31 -3.047 -7.615 -14.298 1.00 0.00 H new ATOM 0 HB THR A 31 -2.232 -5.125 -14.366 1.00 0.00 H new ATOM 0 HG1 THR A 31 -0.258 -6.102 -15.679 1.00 0.00 H new ATOM 0 HG21 THR A 31 0.168 -4.857 -13.857 1.00 0.00 H new ATOM 0 HG22 THR A 31 -0.774 -5.245 -12.398 1.00 0.00 H new ATOM 0 HG23 THR A 31 0.205 -6.505 -13.186 1.00 0.00 H new ATOM 446 N LYS A 32 -1.003 -9.033 -13.628 1.00 0.00 N ATOM 447 CA LYS A 32 -0.100 -10.046 -13.094 1.00 0.00 C ATOM 448 C LYS A 32 1.354 -9.676 -13.369 1.00 0.00 C ATOM 449 O LYS A 32 1.772 -9.573 -14.523 1.00 0.00 O ATOM 450 CB LYS A 32 -0.414 -11.413 -13.706 1.00 0.00 C ATOM 451 CG LYS A 32 -1.422 -12.220 -12.906 1.00 0.00 C ATOM 452 CD LYS A 32 -2.746 -11.485 -12.774 1.00 0.00 C ATOM 453 CE LYS A 32 -3.288 -11.065 -14.132 1.00 0.00 C ATOM 454 NZ LYS A 32 -3.447 -12.228 -15.049 1.00 0.00 N ATOM 0 H LYS A 32 -1.184 -9.115 -14.628 1.00 0.00 H new ATOM 0 HA LYS A 32 -0.247 -10.096 -12.015 1.00 0.00 H new ATOM 0 HB2 LYS A 32 -0.796 -11.270 -14.717 1.00 0.00 H new ATOM 0 HB3 LYS A 32 0.510 -11.984 -13.792 1.00 0.00 H new ATOM 0 HG2 LYS A 32 -1.586 -13.182 -13.391 1.00 0.00 H new ATOM 0 HG3 LYS A 32 -1.019 -12.427 -11.915 1.00 0.00 H new ATOM 0 HD2 LYS A 32 -3.471 -12.127 -12.274 1.00 0.00 H new ATOM 0 HD3 LYS A 32 -2.613 -10.604 -12.146 1.00 0.00 H new ATOM 0 HE2 LYS A 32 -4.251 -10.571 -14.002 1.00 0.00 H new ATOM 0 HE3 LYS A 32 -2.614 -10.336 -14.583 1.00 0.00 H new ATOM 0 HZ1 LYS A 32 -3.972 -11.933 -15.897 1.00 0.00 H new ATOM 0 HZ2 LYS A 32 -2.509 -12.581 -15.328 1.00 0.00 H new ATOM 0 HZ3 LYS A 32 -3.971 -12.984 -14.563 1.00 0.00 H new ATOM 468 N LEU A 33 2.122 -9.480 -12.303 1.00 0.00 N ATOM 469 CA LEU A 33 3.531 -9.123 -12.429 1.00 0.00 C ATOM 470 C LEU A 33 4.414 -10.365 -12.367 1.00 0.00 C ATOM 471 O LEU A 33 3.979 -11.429 -11.924 1.00 0.00 O ATOM 472 CB LEU A 33 3.930 -8.143 -11.324 1.00 0.00 C ATOM 473 CG LEU A 33 2.932 -7.024 -11.027 1.00 0.00 C ATOM 474 CD1 LEU A 33 3.081 -6.543 -9.592 1.00 0.00 C ATOM 475 CD2 LEU A 33 3.120 -5.869 -12.000 1.00 0.00 C ATOM 0 H LEU A 33 1.793 -9.562 -11.341 1.00 0.00 H new ATOM 0 HA LEU A 33 3.675 -8.645 -13.398 1.00 0.00 H new ATOM 0 HB2 LEU A 33 4.095 -8.708 -10.407 1.00 0.00 H new ATOM 0 HB3 LEU A 33 4.884 -7.690 -11.595 1.00 0.00 H new ATOM 0 HG LEU A 33 1.924 -7.419 -11.154 1.00 0.00 H new ATOM 0 HD11 LEU A 33 2.363 -5.746 -9.399 1.00 0.00 H new ATOM 0 HD12 LEU A 33 2.896 -7.372 -8.909 1.00 0.00 H new ATOM 0 HD13 LEU A 33 4.092 -6.165 -9.438 1.00 0.00 H new ATOM 0 HD21 LEU A 33 2.401 -5.082 -11.773 1.00 0.00 H new ATOM 0 HD22 LEU A 33 4.132 -5.475 -11.905 1.00 0.00 H new ATOM 0 HD23 LEU A 33 2.962 -6.222 -13.019 1.00 0.00 H new ATOM 487 N THR A 34 5.659 -10.222 -12.811 1.00 0.00 N ATOM 488 CA THR A 34 6.605 -11.331 -12.805 1.00 0.00 C ATOM 489 C THR A 34 7.670 -11.140 -11.732 1.00 0.00 C ATOM 490 O THR A 34 8.656 -10.433 -11.941 1.00 0.00 O ATOM 491 CB THR A 34 7.294 -11.489 -14.174 1.00 0.00 C ATOM 492 OG1 THR A 34 6.310 -11.560 -15.212 1.00 0.00 O ATOM 493 CG2 THR A 34 8.160 -12.739 -14.202 1.00 0.00 C ATOM 0 H THR A 34 6.036 -9.349 -13.179 1.00 0.00 H new ATOM 0 HA THR A 34 6.033 -12.233 -12.588 1.00 0.00 H new ATOM 0 HB THR A 34 7.932 -10.621 -14.338 1.00 0.00 H new ATOM 0 HG1 THR A 34 6.756 -11.659 -16.079 1.00 0.00 H new ATOM 0 HG21 THR A 34 8.636 -12.830 -15.178 1.00 0.00 H new ATOM 0 HG22 THR A 34 8.926 -12.668 -13.430 1.00 0.00 H new ATOM 0 HG23 THR A 34 7.539 -13.616 -14.018 1.00 0.00 H new ATOM 501 N VAL A 35 7.465 -11.774 -10.582 1.00 0.00 N ATOM 502 CA VAL A 35 8.410 -11.675 -9.476 1.00 0.00 C ATOM 503 C VAL A 35 9.831 -11.980 -9.937 1.00 0.00 C ATOM 504 O VAL A 35 10.079 -12.996 -10.585 1.00 0.00 O ATOM 505 CB VAL A 35 8.036 -12.635 -8.331 1.00 0.00 C ATOM 506 CG1 VAL A 35 9.173 -12.736 -7.326 1.00 0.00 C ATOM 507 CG2 VAL A 35 6.753 -12.180 -7.652 1.00 0.00 C ATOM 0 H VAL A 35 6.653 -12.362 -10.392 1.00 0.00 H new ATOM 0 HA VAL A 35 8.363 -10.649 -9.111 1.00 0.00 H new ATOM 0 HB VAL A 35 7.866 -13.626 -8.752 1.00 0.00 H new ATOM 0 HG11 VAL A 35 8.891 -13.418 -6.524 1.00 0.00 H new ATOM 0 HG12 VAL A 35 10.067 -13.112 -7.824 1.00 0.00 H new ATOM 0 HG13 VAL A 35 9.378 -11.750 -6.908 1.00 0.00 H new ATOM 0 HG21 VAL A 35 6.504 -12.870 -6.846 1.00 0.00 H new ATOM 0 HG22 VAL A 35 6.893 -11.179 -7.243 1.00 0.00 H new ATOM 0 HG23 VAL A 35 5.942 -12.165 -8.380 1.00 0.00 H new ATOM 517 N GLY A 36 10.761 -11.092 -9.597 1.00 0.00 N ATOM 518 CA GLY A 36 12.146 -11.285 -9.985 1.00 0.00 C ATOM 519 C GLY A 36 12.983 -11.879 -8.869 1.00 0.00 C ATOM 520 O GLY A 36 12.450 -12.474 -7.933 1.00 0.00 O ATOM 0 H GLY A 36 10.580 -10.244 -9.060 1.00 0.00 H new ATOM 0 HA2 GLY A 36 12.189 -11.940 -10.855 1.00 0.00 H new ATOM 0 HA3 GLY A 36 12.573 -10.328 -10.285 1.00 0.00 H new ATOM 524 N ASN A 37 14.299 -11.718 -8.969 1.00 0.00 N ATOM 525 CA ASN A 37 15.211 -12.245 -7.960 1.00 0.00 C ATOM 526 C ASN A 37 15.203 -11.372 -6.709 1.00 0.00 C ATOM 527 O ASN A 37 15.352 -11.868 -5.592 1.00 0.00 O ATOM 528 CB ASN A 37 16.631 -12.335 -8.524 1.00 0.00 C ATOM 529 CG ASN A 37 17.689 -12.261 -7.441 1.00 0.00 C ATOM 530 OD1 ASN A 37 17.789 -11.108 -6.789 1.00 0.00 O flip ATOM 531 ND2 ASN A 37 18.408 -13.229 -7.192 1.00 0.00 N flip ATOM 0 H ASN A 37 14.757 -11.228 -9.737 1.00 0.00 H new ATOM 0 HA ASN A 37 14.872 -13.244 -7.686 1.00 0.00 H new ATOM 0 HB2 ASN A 37 16.742 -13.270 -9.073 1.00 0.00 H new ATOM 0 HB3 ASN A 37 16.788 -11.526 -9.237 1.00 0.00 H new ATOM 0 HD21 ASN A 37 18.297 -14.096 -7.718 1.00 0.00 H new ATOM 0 HD22 ASN A 37 19.115 -13.164 -6.460 1.00 0.00 H new ATOM 538 N LEU A 38 15.028 -10.070 -6.905 1.00 0.00 N ATOM 539 CA LEU A 38 14.999 -9.126 -5.793 1.00 0.00 C ATOM 540 C LEU A 38 13.570 -8.896 -5.311 1.00 0.00 C ATOM 541 O LEU A 38 13.341 -8.178 -4.338 1.00 0.00 O ATOM 542 CB LEU A 38 15.629 -7.796 -6.210 1.00 0.00 C ATOM 543 CG LEU A 38 16.617 -7.858 -7.376 1.00 0.00 C ATOM 544 CD1 LEU A 38 16.290 -6.792 -8.410 1.00 0.00 C ATOM 545 CD2 LEU A 38 18.045 -7.697 -6.875 1.00 0.00 C ATOM 0 H LEU A 38 14.904 -9.644 -7.823 1.00 0.00 H new ATOM 0 HA LEU A 38 15.576 -9.552 -4.972 1.00 0.00 H new ATOM 0 HB2 LEU A 38 14.829 -7.105 -6.474 1.00 0.00 H new ATOM 0 HB3 LEU A 38 16.143 -7.374 -5.346 1.00 0.00 H new ATOM 0 HG LEU A 38 16.528 -8.835 -7.851 1.00 0.00 H new ATOM 0 HD11 LEU A 38 17.003 -6.851 -9.232 1.00 0.00 H new ATOM 0 HD12 LEU A 38 15.282 -6.953 -8.792 1.00 0.00 H new ATOM 0 HD13 LEU A 38 16.350 -5.807 -7.948 1.00 0.00 H new ATOM 0 HD21 LEU A 38 18.734 -7.744 -7.718 1.00 0.00 H new ATOM 0 HD22 LEU A 38 18.149 -6.734 -6.375 1.00 0.00 H new ATOM 0 HD23 LEU A 38 18.277 -8.498 -6.173 1.00 0.00 H new ATOM 557 N GLY A 39 12.613 -9.512 -5.998 1.00 0.00 N ATOM 558 CA GLY A 39 11.218 -9.363 -5.624 1.00 0.00 C ATOM 559 C GLY A 39 10.753 -7.921 -5.683 1.00 0.00 C ATOM 560 O GLY A 39 11.493 -7.007 -5.318 1.00 0.00 O ATOM 0 H GLY A 39 12.778 -10.111 -6.807 1.00 0.00 H new ATOM 0 HA2 GLY A 39 10.600 -9.968 -6.288 1.00 0.00 H new ATOM 0 HA3 GLY A 39 11.073 -9.747 -4.614 1.00 0.00 H new ATOM 564 N LEU A 40 9.525 -7.717 -6.145 1.00 0.00 N ATOM 565 CA LEU A 40 8.961 -6.375 -6.253 1.00 0.00 C ATOM 566 C LEU A 40 9.221 -5.572 -4.982 1.00 0.00 C ATOM 567 O LEU A 40 8.530 -5.739 -3.978 1.00 0.00 O ATOM 568 CB LEU A 40 7.458 -6.452 -6.523 1.00 0.00 C ATOM 569 CG LEU A 40 6.775 -7.769 -6.149 1.00 0.00 C ATOM 570 CD1 LEU A 40 5.417 -7.505 -5.517 1.00 0.00 C ATOM 571 CD2 LEU A 40 6.632 -8.661 -7.373 1.00 0.00 C ATOM 0 H LEU A 40 8.900 -8.463 -6.451 1.00 0.00 H new ATOM 0 HA LEU A 40 9.448 -5.869 -7.087 1.00 0.00 H new ATOM 0 HB2 LEU A 40 6.969 -5.645 -5.977 1.00 0.00 H new ATOM 0 HB3 LEU A 40 7.290 -6.267 -7.584 1.00 0.00 H new ATOM 0 HG LEU A 40 7.398 -8.285 -5.419 1.00 0.00 H new ATOM 0 HD11 LEU A 40 4.946 -8.453 -5.258 1.00 0.00 H new ATOM 0 HD12 LEU A 40 5.545 -6.905 -4.616 1.00 0.00 H new ATOM 0 HD13 LEU A 40 4.785 -6.967 -6.224 1.00 0.00 H new ATOM 0 HD21 LEU A 40 6.144 -9.593 -7.089 1.00 0.00 H new ATOM 0 HD22 LEU A 40 6.031 -8.152 -8.126 1.00 0.00 H new ATOM 0 HD23 LEU A 40 7.619 -8.878 -7.782 1.00 0.00 H new ATOM 583 N GLY A 41 10.221 -4.697 -5.035 1.00 0.00 N ATOM 584 CA GLY A 41 10.552 -3.879 -3.883 1.00 0.00 C ATOM 585 C GLY A 41 9.786 -2.572 -3.860 1.00 0.00 C ATOM 586 O GLY A 41 10.208 -1.607 -3.222 1.00 0.00 O ATOM 0 H GLY A 41 10.807 -4.540 -5.855 1.00 0.00 H new ATOM 0 HA2 GLY A 41 10.339 -4.437 -2.972 1.00 0.00 H new ATOM 0 HA3 GLY A 41 11.622 -3.669 -3.885 1.00 0.00 H new ATOM 590 N LEU A 42 8.657 -2.538 -4.559 1.00 0.00 N ATOM 591 CA LEU A 42 7.829 -1.338 -4.618 1.00 0.00 C ATOM 592 C LEU A 42 7.993 -0.501 -3.353 1.00 0.00 C ATOM 593 O LEU A 42 7.869 -1.010 -2.239 1.00 0.00 O ATOM 594 CB LEU A 42 6.359 -1.716 -4.806 1.00 0.00 C ATOM 595 CG LEU A 42 5.958 -3.110 -4.322 1.00 0.00 C ATOM 596 CD1 LEU A 42 5.027 -3.010 -3.123 1.00 0.00 C ATOM 597 CD2 LEU A 42 5.301 -3.897 -5.446 1.00 0.00 C ATOM 0 H LEU A 42 8.294 -3.327 -5.093 1.00 0.00 H new ATOM 0 HA LEU A 42 8.156 -0.743 -5.471 1.00 0.00 H new ATOM 0 HB2 LEU A 42 5.746 -0.981 -4.284 1.00 0.00 H new ATOM 0 HB3 LEU A 42 6.117 -1.638 -5.866 1.00 0.00 H new ATOM 0 HG LEU A 42 6.859 -3.640 -4.014 1.00 0.00 H new ATOM 0 HD11 LEU A 42 4.752 -4.011 -2.792 1.00 0.00 H new ATOM 0 HD12 LEU A 42 5.533 -2.486 -2.312 1.00 0.00 H new ATOM 0 HD13 LEU A 42 4.128 -2.461 -3.405 1.00 0.00 H new ATOM 0 HD21 LEU A 42 5.022 -4.886 -5.083 1.00 0.00 H new ATOM 0 HD22 LEU A 42 4.409 -3.371 -5.786 1.00 0.00 H new ATOM 0 HD23 LEU A 42 6.000 -3.999 -6.276 1.00 0.00 H new ATOM 609 N VAL A 43 8.269 0.787 -3.533 1.00 0.00 N ATOM 610 CA VAL A 43 8.445 1.696 -2.407 1.00 0.00 C ATOM 611 C VAL A 43 7.104 2.223 -1.911 1.00 0.00 C ATOM 612 O VAL A 43 6.779 3.396 -2.095 1.00 0.00 O ATOM 613 CB VAL A 43 9.346 2.888 -2.783 1.00 0.00 C ATOM 614 CG1 VAL A 43 9.290 3.960 -1.706 1.00 0.00 C ATOM 615 CG2 VAL A 43 10.776 2.423 -3.011 1.00 0.00 C ATOM 0 H VAL A 43 8.375 1.224 -4.448 1.00 0.00 H new ATOM 0 HA VAL A 43 8.924 1.125 -1.612 1.00 0.00 H new ATOM 0 HB VAL A 43 8.977 3.322 -3.712 1.00 0.00 H new ATOM 0 HG11 VAL A 43 9.932 4.794 -1.989 1.00 0.00 H new ATOM 0 HG12 VAL A 43 8.264 4.313 -1.597 1.00 0.00 H new ATOM 0 HG13 VAL A 43 9.633 3.543 -0.759 1.00 0.00 H new ATOM 0 HG21 VAL A 43 11.399 3.278 -3.276 1.00 0.00 H new ATOM 0 HG22 VAL A 43 11.159 1.963 -2.100 1.00 0.00 H new ATOM 0 HG23 VAL A 43 10.797 1.694 -3.821 1.00 0.00 H new ATOM 625 N VAL A 44 6.327 1.349 -1.279 1.00 0.00 N ATOM 626 CA VAL A 44 5.020 1.726 -0.754 1.00 0.00 C ATOM 627 C VAL A 44 5.150 2.405 0.605 1.00 0.00 C ATOM 628 O VAL A 44 6.050 2.090 1.384 1.00 0.00 O ATOM 629 CB VAL A 44 4.095 0.503 -0.619 1.00 0.00 C ATOM 630 CG1 VAL A 44 4.823 -0.645 0.063 1.00 0.00 C ATOM 631 CG2 VAL A 44 2.832 0.872 0.144 1.00 0.00 C ATOM 0 H VAL A 44 6.580 0.374 -1.118 1.00 0.00 H new ATOM 0 HA VAL A 44 4.582 2.425 -1.466 1.00 0.00 H new ATOM 0 HB VAL A 44 3.806 0.176 -1.618 1.00 0.00 H new ATOM 0 HG11 VAL A 44 4.153 -1.500 0.149 1.00 0.00 H new ATOM 0 HG12 VAL A 44 5.695 -0.925 -0.528 1.00 0.00 H new ATOM 0 HG13 VAL A 44 5.143 -0.333 1.057 1.00 0.00 H new ATOM 0 HG21 VAL A 44 2.190 -0.004 0.230 1.00 0.00 H new ATOM 0 HG22 VAL A 44 3.099 1.225 1.140 1.00 0.00 H new ATOM 0 HG23 VAL A 44 2.301 1.660 -0.390 1.00 0.00 H new ATOM 641 N ILE A 45 4.244 3.336 0.883 1.00 0.00 N ATOM 642 CA ILE A 45 4.256 4.058 2.149 1.00 0.00 C ATOM 643 C ILE A 45 3.020 3.730 2.980 1.00 0.00 C ATOM 644 O ILE A 45 2.037 3.199 2.465 1.00 0.00 O ATOM 645 CB ILE A 45 4.323 5.581 1.928 1.00 0.00 C ATOM 646 CG1 ILE A 45 3.242 6.023 0.940 1.00 0.00 C ATOM 647 CG2 ILE A 45 5.702 5.984 1.428 1.00 0.00 C ATOM 648 CD1 ILE A 45 2.686 7.400 1.228 1.00 0.00 C ATOM 0 H ILE A 45 3.493 3.608 0.249 1.00 0.00 H new ATOM 0 HA ILE A 45 5.148 3.738 2.687 1.00 0.00 H new ATOM 0 HB ILE A 45 4.144 6.079 2.881 1.00 0.00 H new ATOM 0 HG12 ILE A 45 3.656 6.011 -0.068 1.00 0.00 H new ATOM 0 HG13 ILE A 45 2.427 5.300 0.959 1.00 0.00 H new ATOM 0 HG21 ILE A 45 5.733 7.063 1.277 1.00 0.00 H new ATOM 0 HG22 ILE A 45 6.454 5.699 2.164 1.00 0.00 H new ATOM 0 HG23 ILE A 45 5.909 5.479 0.484 1.00 0.00 H new ATOM 0 HD11 ILE A 45 1.925 7.647 0.488 1.00 0.00 H new ATOM 0 HD12 ILE A 45 2.242 7.412 2.223 1.00 0.00 H new ATOM 0 HD13 ILE A 45 3.490 8.134 1.181 1.00 0.00 H new ATOM 660 N GLN A 46 3.078 4.052 4.269 1.00 0.00 N ATOM 661 CA GLN A 46 1.962 3.793 5.171 1.00 0.00 C ATOM 662 C GLN A 46 0.978 4.958 5.170 1.00 0.00 C ATOM 663 O GLN A 46 1.106 5.891 5.962 1.00 0.00 O ATOM 664 CB GLN A 46 2.475 3.544 6.591 1.00 0.00 C ATOM 665 CG GLN A 46 1.812 2.361 7.278 1.00 0.00 C ATOM 666 CD GLN A 46 0.300 2.397 7.174 1.00 0.00 C ATOM 667 OE1 GLN A 46 -0.352 3.272 7.745 1.00 0.00 O ATOM 668 NE2 GLN A 46 -0.267 1.445 6.442 1.00 0.00 N ATOM 0 H GLN A 46 3.885 4.492 4.711 1.00 0.00 H new ATOM 0 HA GLN A 46 1.441 2.903 4.818 1.00 0.00 H new ATOM 0 HB2 GLN A 46 3.551 3.376 6.555 1.00 0.00 H new ATOM 0 HB3 GLN A 46 2.311 4.440 7.190 1.00 0.00 H new ATOM 0 HG2 GLN A 46 2.181 1.436 6.836 1.00 0.00 H new ATOM 0 HG3 GLN A 46 2.100 2.348 8.329 1.00 0.00 H new ATOM 0 HE21 GLN A 46 0.312 0.739 5.986 1.00 0.00 H new ATOM 0 HE22 GLN A 46 -1.281 1.419 6.336 1.00 0.00 H new ATOM 677 N ASN A 47 -0.002 4.898 4.275 1.00 0.00 N ATOM 678 CA ASN A 47 -1.007 5.949 4.170 1.00 0.00 C ATOM 679 C ASN A 47 -2.402 5.398 4.448 1.00 0.00 C ATOM 680 O ASN A 47 -2.889 4.523 3.734 1.00 0.00 O ATOM 681 CB ASN A 47 -0.966 6.586 2.780 1.00 0.00 C ATOM 682 CG ASN A 47 -1.426 8.031 2.792 1.00 0.00 C ATOM 683 OD1 ASN A 47 -0.948 8.840 3.588 1.00 0.00 O ATOM 684 ND2 ASN A 47 -2.360 8.362 1.907 1.00 0.00 N ATOM 0 H ASN A 47 -0.122 4.132 3.612 1.00 0.00 H new ATOM 0 HA ASN A 47 -0.780 6.709 4.918 1.00 0.00 H new ATOM 0 HB2 ASN A 47 0.050 6.534 2.390 1.00 0.00 H new ATOM 0 HB3 ASN A 47 -1.597 6.012 2.102 1.00 0.00 H new ATOM 0 HD21 ASN A 47 -2.709 9.320 1.868 1.00 0.00 H new ATOM 0 HD22 ASN A 47 -2.728 7.659 1.266 1.00 0.00 H new ATOM 691 N GLY A 48 -3.041 5.917 5.493 1.00 0.00 N ATOM 692 CA GLY A 48 -4.374 5.465 5.847 1.00 0.00 C ATOM 693 C GLY A 48 -4.418 3.984 6.167 1.00 0.00 C ATOM 694 O GLY A 48 -3.387 3.321 6.282 1.00 0.00 O ATOM 0 H GLY A 48 -2.659 6.642 6.100 1.00 0.00 H new ATOM 0 HA2 GLY A 48 -4.729 6.030 6.709 1.00 0.00 H new ATOM 0 HA3 GLY A 48 -5.056 5.676 5.024 1.00 0.00 H new ATOM 698 N PRO A 49 -5.636 3.443 6.317 1.00 0.00 N ATOM 699 CA PRO A 49 -5.840 2.025 6.628 1.00 0.00 C ATOM 700 C PRO A 49 -5.472 1.116 5.460 1.00 0.00 C ATOM 701 O PRO A 49 -5.635 -0.102 5.534 1.00 0.00 O ATOM 702 CB PRO A 49 -7.340 1.938 6.922 1.00 0.00 C ATOM 703 CG PRO A 49 -7.939 3.079 6.173 1.00 0.00 C ATOM 704 CD PRO A 49 -6.908 4.174 6.193 1.00 0.00 C ATOM 0 HA PRO A 49 -5.210 1.695 7.454 1.00 0.00 H new ATOM 0 HB2 PRO A 49 -7.754 0.986 6.590 1.00 0.00 H new ATOM 0 HB3 PRO A 49 -7.539 2.017 7.991 1.00 0.00 H new ATOM 0 HG2 PRO A 49 -8.182 2.790 5.150 1.00 0.00 H new ATOM 0 HG3 PRO A 49 -8.867 3.408 6.640 1.00 0.00 H new ATOM 0 HD2 PRO A 49 -6.940 4.773 5.283 1.00 0.00 H new ATOM 0 HD3 PRO A 49 -7.063 4.856 7.029 1.00 0.00 H new ATOM 712 N TYR A 50 -4.976 1.716 4.384 1.00 0.00 N ATOM 713 CA TYR A 50 -4.588 0.960 3.199 1.00 0.00 C ATOM 714 C TYR A 50 -3.121 1.200 2.856 1.00 0.00 C ATOM 715 O TYR A 50 -2.369 1.765 3.652 1.00 0.00 O ATOM 716 CB TYR A 50 -5.470 1.345 2.010 1.00 0.00 C ATOM 717 CG TYR A 50 -6.925 1.540 2.374 1.00 0.00 C ATOM 718 CD1 TYR A 50 -7.748 0.453 2.638 1.00 0.00 C ATOM 719 CD2 TYR A 50 -7.476 2.814 2.455 1.00 0.00 C ATOM 720 CE1 TYR A 50 -9.077 0.627 2.970 1.00 0.00 C ATOM 721 CE2 TYR A 50 -8.804 2.997 2.788 1.00 0.00 C ATOM 722 CZ TYR A 50 -9.601 1.901 3.044 1.00 0.00 C ATOM 723 OH TYR A 50 -10.924 2.078 3.376 1.00 0.00 O ATOM 0 H TYR A 50 -4.833 2.723 4.308 1.00 0.00 H new ATOM 0 HA TYR A 50 -4.724 -0.100 3.415 1.00 0.00 H new ATOM 0 HB2 TYR A 50 -5.088 2.265 1.568 1.00 0.00 H new ATOM 0 HB3 TYR A 50 -5.396 0.570 1.247 1.00 0.00 H new ATOM 0 HD1 TYR A 50 -7.341 -0.546 2.583 1.00 0.00 H new ATOM 0 HD2 TYR A 50 -6.855 3.675 2.254 1.00 0.00 H new ATOM 0 HE1 TYR A 50 -9.703 -0.230 3.171 1.00 0.00 H new ATOM 0 HE2 TYR A 50 -9.216 3.993 2.848 1.00 0.00 H new ATOM 0 HH TYR A 50 -11.134 3.035 3.385 1.00 0.00 H new ATOM 733 N LEU A 51 -2.720 0.769 1.666 1.00 0.00 N ATOM 734 CA LEU A 51 -1.342 0.937 1.215 1.00 0.00 C ATOM 735 C LEU A 51 -1.298 1.473 -0.212 1.00 0.00 C ATOM 736 O LEU A 51 -1.746 0.810 -1.148 1.00 0.00 O ATOM 737 CB LEU A 51 -0.593 -0.394 1.295 1.00 0.00 C ATOM 738 CG LEU A 51 -0.351 -0.945 2.701 1.00 0.00 C ATOM 739 CD1 LEU A 51 -0.100 -2.444 2.652 1.00 0.00 C ATOM 740 CD2 LEU A 51 0.817 -0.227 3.361 1.00 0.00 C ATOM 0 H LEU A 51 -3.329 0.300 0.995 1.00 0.00 H new ATOM 0 HA LEU A 51 -0.857 1.660 1.870 1.00 0.00 H new ATOM 0 HB2 LEU A 51 -1.152 -1.137 0.727 1.00 0.00 H new ATOM 0 HB3 LEU A 51 0.372 -0.275 0.802 1.00 0.00 H new ATOM 0 HG LEU A 51 -1.245 -0.768 3.299 1.00 0.00 H new ATOM 0 HD11 LEU A 51 0.070 -2.818 3.662 1.00 0.00 H new ATOM 0 HD12 LEU A 51 -0.967 -2.944 2.221 1.00 0.00 H new ATOM 0 HD13 LEU A 51 0.778 -2.646 2.038 1.00 0.00 H new ATOM 0 HD21 LEU A 51 0.975 -0.632 4.361 1.00 0.00 H new ATOM 0 HD22 LEU A 51 1.717 -0.372 2.764 1.00 0.00 H new ATOM 0 HD23 LEU A 51 0.596 0.838 3.432 1.00 0.00 H new ATOM 752 N GLN A 52 -0.753 2.675 -0.371 1.00 0.00 N ATOM 753 CA GLN A 52 -0.649 3.298 -1.685 1.00 0.00 C ATOM 754 C GLN A 52 0.775 3.203 -2.222 1.00 0.00 C ATOM 755 O GLN A 52 1.729 3.597 -1.551 1.00 0.00 O ATOM 756 CB GLN A 52 -1.083 4.764 -1.613 1.00 0.00 C ATOM 757 CG GLN A 52 -2.591 4.953 -1.613 1.00 0.00 C ATOM 758 CD GLN A 52 -3.058 5.913 -2.690 1.00 0.00 C ATOM 759 OE1 GLN A 52 -3.641 5.503 -3.693 1.00 0.00 O ATOM 760 NE2 GLN A 52 -2.804 7.200 -2.486 1.00 0.00 N ATOM 0 H GLN A 52 -0.377 3.236 0.393 1.00 0.00 H new ATOM 0 HA GLN A 52 -1.311 2.763 -2.366 1.00 0.00 H new ATOM 0 HB2 GLN A 52 -0.669 5.213 -0.710 1.00 0.00 H new ATOM 0 HB3 GLN A 52 -0.658 5.302 -2.460 1.00 0.00 H new ATOM 0 HG2 GLN A 52 -3.075 3.987 -1.758 1.00 0.00 H new ATOM 0 HG3 GLN A 52 -2.907 5.325 -0.638 1.00 0.00 H new ATOM 0 HE21 GLN A 52 -2.318 7.496 -1.640 1.00 0.00 H new ATOM 0 HE22 GLN A 52 -3.095 7.893 -3.176 1.00 0.00 H new ATOM 769 N ILE A 53 0.910 2.676 -3.434 1.00 0.00 N ATOM 770 CA ILE A 53 2.218 2.529 -4.061 1.00 0.00 C ATOM 771 C ILE A 53 2.868 3.888 -4.301 1.00 0.00 C ATOM 772 O ILE A 53 2.631 4.528 -5.325 1.00 0.00 O ATOM 773 CB ILE A 53 2.120 1.776 -5.400 1.00 0.00 C ATOM 774 CG1 ILE A 53 1.358 0.461 -5.216 1.00 0.00 C ATOM 775 CG2 ILE A 53 3.508 1.515 -5.965 1.00 0.00 C ATOM 776 CD1 ILE A 53 1.055 -0.249 -6.517 1.00 0.00 C ATOM 0 H ILE A 53 0.130 2.344 -4.001 1.00 0.00 H new ATOM 0 HA ILE A 53 2.834 1.950 -3.373 1.00 0.00 H new ATOM 0 HB ILE A 53 1.572 2.396 -6.109 1.00 0.00 H new ATOM 0 HG12 ILE A 53 1.942 -0.202 -4.577 1.00 0.00 H new ATOM 0 HG13 ILE A 53 0.422 0.663 -4.695 1.00 0.00 H new ATOM 0 HG21 ILE A 53 3.421 0.982 -6.912 1.00 0.00 H new ATOM 0 HG22 ILE A 53 4.019 2.464 -6.128 1.00 0.00 H new ATOM 0 HG23 ILE A 53 4.080 0.912 -5.260 1.00 0.00 H new ATOM 0 HD11 ILE A 53 0.514 -1.172 -6.310 1.00 0.00 H new ATOM 0 HD12 ILE A 53 0.444 0.395 -7.150 1.00 0.00 H new ATOM 0 HD13 ILE A 53 1.988 -0.482 -7.030 1.00 0.00 H new ATOM 788 N SER A 54 3.690 4.321 -3.351 1.00 0.00 N ATOM 789 CA SER A 54 4.374 5.605 -3.458 1.00 0.00 C ATOM 790 C SER A 54 5.341 5.608 -4.638 1.00 0.00 C ATOM 791 O SER A 54 5.529 6.630 -5.298 1.00 0.00 O ATOM 792 CB SER A 54 5.129 5.914 -2.164 1.00 0.00 C ATOM 793 OG SER A 54 4.778 7.192 -1.662 1.00 0.00 O ATOM 0 H SER A 54 3.899 3.802 -2.498 1.00 0.00 H new ATOM 0 HA SER A 54 3.622 6.377 -3.624 1.00 0.00 H new ATOM 0 HB2 SER A 54 4.904 5.152 -1.417 1.00 0.00 H new ATOM 0 HB3 SER A 54 6.203 5.874 -2.347 1.00 0.00 H new ATOM 0 HG SER A 54 5.383 7.433 -0.930 1.00 0.00 H new ATOM 799 N HIS A 55 5.953 4.457 -4.897 1.00 0.00 N ATOM 800 CA HIS A 55 6.901 4.326 -5.997 1.00 0.00 C ATOM 801 C HIS A 55 7.194 2.857 -6.290 1.00 0.00 C ATOM 802 O HIS A 55 7.111 2.008 -5.402 1.00 0.00 O ATOM 803 CB HIS A 55 8.200 5.061 -5.669 1.00 0.00 C ATOM 804 CG HIS A 55 9.419 4.415 -6.254 1.00 0.00 C ATOM 805 ND1 HIS A 55 10.253 5.053 -7.147 1.00 0.00 N ATOM 806 CD2 HIS A 55 9.943 3.181 -6.066 1.00 0.00 C ATOM 807 CE1 HIS A 55 11.237 4.238 -7.486 1.00 0.00 C ATOM 808 NE2 HIS A 55 11.072 3.096 -6.843 1.00 0.00 N ATOM 0 H HIS A 55 5.809 3.602 -4.360 1.00 0.00 H new ATOM 0 HA HIS A 55 6.453 4.773 -6.885 1.00 0.00 H new ATOM 0 HB2 HIS A 55 8.131 6.085 -6.035 1.00 0.00 H new ATOM 0 HB3 HIS A 55 8.313 5.117 -4.586 1.00 0.00 H new ATOM 0 HD1 HIS A 55 10.130 6.005 -7.492 1.00 0.00 H new ATOM 0 HD2 HIS A 55 9.547 2.408 -5.425 1.00 0.00 H new ATOM 0 HE1 HIS A 55 12.039 4.467 -8.172 1.00 0.00 H new ATOM 817 N LEU A 56 7.536 2.565 -7.540 1.00 0.00 N ATOM 818 CA LEU A 56 7.840 1.199 -7.950 1.00 0.00 C ATOM 819 C LEU A 56 9.329 1.036 -8.238 1.00 0.00 C ATOM 820 O LEU A 56 9.942 1.883 -8.887 1.00 0.00 O ATOM 821 CB LEU A 56 7.026 0.824 -9.190 1.00 0.00 C ATOM 822 CG LEU A 56 5.557 1.250 -9.182 1.00 0.00 C ATOM 823 CD1 LEU A 56 5.194 1.938 -10.489 1.00 0.00 C ATOM 824 CD2 LEU A 56 4.655 0.048 -8.941 1.00 0.00 C ATOM 0 H LEU A 56 7.610 3.256 -8.287 1.00 0.00 H new ATOM 0 HA LEU A 56 7.571 0.532 -7.131 1.00 0.00 H new ATOM 0 HB2 LEU A 56 7.507 1.265 -10.063 1.00 0.00 H new ATOM 0 HB3 LEU A 56 7.069 -0.258 -9.315 1.00 0.00 H new ATOM 0 HG LEU A 56 5.408 1.960 -8.368 1.00 0.00 H new ATOM 0 HD11 LEU A 56 4.145 2.234 -10.465 1.00 0.00 H new ATOM 0 HD12 LEU A 56 5.818 2.822 -10.620 1.00 0.00 H new ATOM 0 HD13 LEU A 56 5.358 1.251 -11.319 1.00 0.00 H new ATOM 0 HD21 LEU A 56 3.613 0.369 -8.938 1.00 0.00 H new ATOM 0 HD22 LEU A 56 4.807 -0.685 -9.733 1.00 0.00 H new ATOM 0 HD23 LEU A 56 4.898 -0.402 -7.979 1.00 0.00 H new ATOM 836 N ILE A 57 9.904 -0.059 -7.752 1.00 0.00 N ATOM 837 CA ILE A 57 11.320 -0.335 -7.960 1.00 0.00 C ATOM 838 C ILE A 57 11.621 -0.586 -9.434 1.00 0.00 C ATOM 839 O ILE A 57 11.346 -1.664 -9.959 1.00 0.00 O ATOM 840 CB ILE A 57 11.784 -1.552 -7.139 1.00 0.00 C ATOM 841 CG1 ILE A 57 11.992 -1.158 -5.675 1.00 0.00 C ATOM 842 CG2 ILE A 57 13.063 -2.131 -7.725 1.00 0.00 C ATOM 843 CD1 ILE A 57 11.098 -0.026 -5.221 1.00 0.00 C ATOM 0 H ILE A 57 9.411 -0.770 -7.211 1.00 0.00 H new ATOM 0 HA ILE A 57 11.865 0.548 -7.625 1.00 0.00 H new ATOM 0 HB ILE A 57 11.009 -2.318 -7.183 1.00 0.00 H new ATOM 0 HG12 ILE A 57 11.812 -2.028 -5.044 1.00 0.00 H new ATOM 0 HG13 ILE A 57 13.033 -0.869 -5.529 1.00 0.00 H new ATOM 0 HG21 ILE A 57 13.378 -2.991 -7.133 1.00 0.00 H new ATOM 0 HG22 ILE A 57 12.883 -2.445 -8.753 1.00 0.00 H new ATOM 0 HG23 ILE A 57 13.846 -1.373 -7.709 1.00 0.00 H new ATOM 0 HD11 ILE A 57 11.300 0.200 -4.174 1.00 0.00 H new ATOM 0 HD12 ILE A 57 11.294 0.858 -5.827 1.00 0.00 H new ATOM 0 HD13 ILE A 57 10.054 -0.319 -5.334 1.00 0.00 H new ATOM 855 N ASN A 58 12.189 0.417 -10.096 1.00 0.00 N ATOM 856 CA ASN A 58 12.528 0.305 -11.510 1.00 0.00 C ATOM 857 C ASN A 58 12.993 -1.109 -11.847 1.00 0.00 C ATOM 858 O ASN A 58 12.530 -1.713 -12.814 1.00 0.00 O ATOM 859 CB ASN A 58 13.619 1.313 -11.875 1.00 0.00 C ATOM 860 CG ASN A 58 14.156 1.102 -13.277 1.00 0.00 C ATOM 861 OD1 ASN A 58 13.422 1.217 -14.259 1.00 0.00 O ATOM 862 ND2 ASN A 58 15.443 0.790 -13.377 1.00 0.00 N ATOM 0 H ASN A 58 12.424 1.316 -9.676 1.00 0.00 H new ATOM 0 HA ASN A 58 11.632 0.522 -12.092 1.00 0.00 H new ATOM 0 HB2 ASN A 58 13.219 2.323 -11.790 1.00 0.00 H new ATOM 0 HB3 ASN A 58 14.438 1.233 -11.160 1.00 0.00 H new ATOM 0 HD21 ASN A 58 15.860 0.635 -14.295 1.00 0.00 H new ATOM 0 HD22 ASN A 58 16.014 0.705 -12.536 1.00 0.00 H new ATOM 869 N LYS A 59 13.912 -1.631 -11.042 1.00 0.00 N ATOM 870 CA LYS A 59 14.440 -2.974 -11.252 1.00 0.00 C ATOM 871 C LYS A 59 13.579 -4.014 -10.542 1.00 0.00 C ATOM 872 O LYS A 59 14.093 -4.891 -9.848 1.00 0.00 O ATOM 873 CB LYS A 59 15.883 -3.061 -10.749 1.00 0.00 C ATOM 874 CG LYS A 59 16.798 -2.004 -11.341 1.00 0.00 C ATOM 875 CD LYS A 59 17.766 -1.460 -10.303 1.00 0.00 C ATOM 876 CE LYS A 59 18.272 -0.077 -10.684 1.00 0.00 C ATOM 877 NZ LYS A 59 19.499 0.293 -9.925 1.00 0.00 N ATOM 0 H LYS A 59 14.307 -1.144 -10.237 1.00 0.00 H new ATOM 0 HA LYS A 59 14.421 -3.182 -12.322 1.00 0.00 H new ATOM 0 HB2 LYS A 59 15.887 -2.966 -9.663 1.00 0.00 H new ATOM 0 HB3 LYS A 59 16.282 -4.048 -10.984 1.00 0.00 H new ATOM 0 HG2 LYS A 59 17.358 -2.431 -12.173 1.00 0.00 H new ATOM 0 HG3 LYS A 59 16.199 -1.188 -11.745 1.00 0.00 H new ATOM 0 HD2 LYS A 59 17.272 -1.413 -9.332 1.00 0.00 H new ATOM 0 HD3 LYS A 59 18.610 -2.142 -10.199 1.00 0.00 H new ATOM 0 HE2 LYS A 59 18.484 -0.050 -11.753 1.00 0.00 H new ATOM 0 HE3 LYS A 59 17.492 0.660 -10.495 1.00 0.00 H new ATOM 0 HZ1 LYS A 59 19.812 1.242 -10.213 1.00 0.00 H new ATOM 0 HZ2 LYS A 59 19.291 0.292 -8.906 1.00 0.00 H new ATOM 0 HZ3 LYS A 59 20.252 -0.396 -10.125 1.00 0.00 H new ATOM 891 N GLY A 60 12.266 -3.911 -10.720 1.00 0.00 N ATOM 892 CA GLY A 60 11.355 -4.849 -10.091 1.00 0.00 C ATOM 893 C GLY A 60 10.341 -5.415 -11.066 1.00 0.00 C ATOM 894 O GLY A 60 10.575 -5.436 -12.273 1.00 0.00 O ATOM 0 H GLY A 60 11.816 -3.194 -11.289 1.00 0.00 H new ATOM 0 HA2 GLY A 60 11.927 -5.666 -9.651 1.00 0.00 H new ATOM 0 HA3 GLY A 60 10.831 -4.351 -9.275 1.00 0.00 H new ATOM 898 N ALA A 61 9.211 -5.875 -10.540 1.00 0.00 N ATOM 899 CA ALA A 61 8.157 -6.443 -11.371 1.00 0.00 C ATOM 900 C ALA A 61 7.111 -5.391 -11.726 1.00 0.00 C ATOM 901 O ALA A 61 6.795 -5.187 -12.898 1.00 0.00 O ATOM 902 CB ALA A 61 7.504 -7.622 -10.665 1.00 0.00 C ATOM 0 H ALA A 61 9.002 -5.865 -9.542 1.00 0.00 H new ATOM 0 HA ALA A 61 8.610 -6.795 -12.298 1.00 0.00 H new ATOM 0 HB1 ALA A 61 6.719 -8.036 -11.298 1.00 0.00 H new ATOM 0 HB2 ALA A 61 8.253 -8.389 -10.468 1.00 0.00 H new ATOM 0 HB3 ALA A 61 7.071 -7.287 -9.722 1.00 0.00 H new ATOM 908 N ALA A 62 6.576 -4.728 -10.706 1.00 0.00 N ATOM 909 CA ALA A 62 5.566 -3.697 -10.911 1.00 0.00 C ATOM 910 C ALA A 62 6.090 -2.589 -11.818 1.00 0.00 C ATOM 911 O ALA A 62 5.412 -2.170 -12.757 1.00 0.00 O ATOM 912 CB ALA A 62 5.121 -3.121 -9.575 1.00 0.00 C ATOM 0 H ALA A 62 6.825 -4.886 -9.730 1.00 0.00 H new ATOM 0 HA ALA A 62 4.707 -4.156 -11.400 1.00 0.00 H new ATOM 0 HB1 ALA A 62 4.367 -2.352 -9.743 1.00 0.00 H new ATOM 0 HB2 ALA A 62 4.699 -3.915 -8.959 1.00 0.00 H new ATOM 0 HB3 ALA A 62 5.978 -2.682 -9.064 1.00 0.00 H new ATOM 918 N ALA A 63 7.299 -2.117 -11.532 1.00 0.00 N ATOM 919 CA ALA A 63 7.913 -1.058 -12.323 1.00 0.00 C ATOM 920 C ALA A 63 8.039 -1.469 -13.786 1.00 0.00 C ATOM 921 O ALA A 63 7.974 -0.630 -14.684 1.00 0.00 O ATOM 922 CB ALA A 63 9.278 -0.698 -11.754 1.00 0.00 C ATOM 0 H ALA A 63 7.873 -2.452 -10.758 1.00 0.00 H new ATOM 0 HA ALA A 63 7.268 -0.181 -12.273 1.00 0.00 H new ATOM 0 HB1 ALA A 63 9.725 0.094 -12.355 1.00 0.00 H new ATOM 0 HB2 ALA A 63 9.164 -0.354 -10.726 1.00 0.00 H new ATOM 0 HB3 ALA A 63 9.923 -1.576 -11.773 1.00 0.00 H new ATOM 928 N SER A 64 8.221 -2.765 -14.019 1.00 0.00 N ATOM 929 CA SER A 64 8.361 -3.287 -15.373 1.00 0.00 C ATOM 930 C SER A 64 6.995 -3.570 -15.990 1.00 0.00 C ATOM 931 O SER A 64 6.899 -4.048 -17.121 1.00 0.00 O ATOM 932 CB SER A 64 9.204 -4.564 -15.366 1.00 0.00 C ATOM 933 OG SER A 64 10.511 -4.314 -15.855 1.00 0.00 O ATOM 0 H SER A 64 8.275 -3.473 -13.287 1.00 0.00 H new ATOM 0 HA SER A 64 8.864 -2.531 -15.977 1.00 0.00 H new ATOM 0 HB2 SER A 64 9.261 -4.961 -14.352 1.00 0.00 H new ATOM 0 HB3 SER A 64 8.722 -5.325 -15.979 1.00 0.00 H new ATOM 0 HG SER A 64 11.031 -5.145 -15.839 1.00 0.00 H new ATOM 939 N ASP A 65 5.940 -3.271 -15.239 1.00 0.00 N ATOM 940 CA ASP A 65 4.578 -3.492 -15.712 1.00 0.00 C ATOM 941 C ASP A 65 3.894 -2.167 -16.034 1.00 0.00 C ATOM 942 O ASP A 65 3.691 -1.331 -15.154 1.00 0.00 O ATOM 943 CB ASP A 65 3.770 -4.256 -14.662 1.00 0.00 C ATOM 944 CG ASP A 65 2.912 -5.346 -15.274 1.00 0.00 C ATOM 945 OD1 ASP A 65 1.785 -5.037 -15.716 1.00 0.00 O ATOM 946 OD2 ASP A 65 3.367 -6.508 -15.311 1.00 0.00 O ATOM 0 H ASP A 65 6.002 -2.875 -14.301 1.00 0.00 H new ATOM 0 HA ASP A 65 4.627 -4.086 -16.625 1.00 0.00 H new ATOM 0 HB2 ASP A 65 4.451 -4.698 -13.935 1.00 0.00 H new ATOM 0 HB3 ASP A 65 3.133 -3.558 -14.119 1.00 0.00 H new ATOM 951 N GLY A 66 3.541 -1.982 -17.302 1.00 0.00 N ATOM 952 CA GLY A 66 2.884 -0.757 -17.719 1.00 0.00 C ATOM 953 C GLY A 66 1.399 -0.763 -17.416 1.00 0.00 C ATOM 954 O GLY A 66 0.591 -0.309 -18.227 1.00 0.00 O ATOM 0 H GLY A 66 3.698 -2.659 -18.049 1.00 0.00 H new ATOM 0 HA2 GLY A 66 3.351 0.091 -17.217 1.00 0.00 H new ATOM 0 HA3 GLY A 66 3.033 -0.615 -18.789 1.00 0.00 H new ATOM 958 N ILE A 67 1.037 -1.282 -16.247 1.00 0.00 N ATOM 959 CA ILE A 67 -0.361 -1.346 -15.840 1.00 0.00 C ATOM 960 C ILE A 67 -0.556 -0.757 -14.447 1.00 0.00 C ATOM 961 O ILE A 67 -1.445 0.068 -14.229 1.00 0.00 O ATOM 962 CB ILE A 67 -0.885 -2.794 -15.851 1.00 0.00 C ATOM 963 CG1 ILE A 67 -0.602 -3.452 -17.203 1.00 0.00 C ATOM 964 CG2 ILE A 67 -2.374 -2.821 -15.543 1.00 0.00 C ATOM 965 CD1 ILE A 67 -1.450 -2.905 -18.330 1.00 0.00 C ATOM 0 H ILE A 67 1.693 -1.664 -15.565 1.00 0.00 H new ATOM 0 HA ILE A 67 -0.927 -0.758 -16.563 1.00 0.00 H new ATOM 0 HB ILE A 67 -0.364 -3.359 -15.078 1.00 0.00 H new ATOM 0 HG12 ILE A 67 0.450 -3.315 -17.451 1.00 0.00 H new ATOM 0 HG13 ILE A 67 -0.773 -4.525 -17.119 1.00 0.00 H new ATOM 0 HG21 ILE A 67 -2.729 -3.851 -15.555 1.00 0.00 H new ATOM 0 HG22 ILE A 67 -2.550 -2.388 -14.558 1.00 0.00 H new ATOM 0 HG23 ILE A 67 -2.912 -2.243 -16.295 1.00 0.00 H new ATOM 0 HD11 ILE A 67 -1.196 -3.417 -19.258 1.00 0.00 H new ATOM 0 HD12 ILE A 67 -2.504 -3.066 -18.103 1.00 0.00 H new ATOM 0 HD13 ILE A 67 -1.262 -1.837 -18.442 1.00 0.00 H new ATOM 977 N LEU A 68 0.280 -1.184 -13.508 1.00 0.00 N ATOM 978 CA LEU A 68 0.202 -0.697 -12.135 1.00 0.00 C ATOM 979 C LEU A 68 0.994 0.596 -11.969 1.00 0.00 C ATOM 980 O LEU A 68 2.193 0.639 -12.244 1.00 0.00 O ATOM 981 CB LEU A 68 0.728 -1.758 -11.167 1.00 0.00 C ATOM 982 CG LEU A 68 0.039 -3.122 -11.226 1.00 0.00 C ATOM 983 CD1 LEU A 68 0.648 -4.073 -10.208 1.00 0.00 C ATOM 984 CD2 LEU A 68 -1.458 -2.974 -10.991 1.00 0.00 C ATOM 0 H LEU A 68 1.020 -1.867 -13.672 1.00 0.00 H new ATOM 0 HA LEU A 68 -0.844 -0.492 -11.907 1.00 0.00 H new ATOM 0 HB2 LEU A 68 1.791 -1.902 -11.360 1.00 0.00 H new ATOM 0 HB3 LEU A 68 0.638 -1.371 -10.152 1.00 0.00 H new ATOM 0 HG LEU A 68 0.191 -3.541 -12.221 1.00 0.00 H new ATOM 0 HD11 LEU A 68 0.145 -5.038 -10.265 1.00 0.00 H new ATOM 0 HD12 LEU A 68 1.709 -4.204 -10.421 1.00 0.00 H new ATOM 0 HD13 LEU A 68 0.528 -3.660 -9.207 1.00 0.00 H new ATOM 0 HD21 LEU A 68 -1.932 -3.954 -11.037 1.00 0.00 H new ATOM 0 HD22 LEU A 68 -1.630 -2.533 -10.009 1.00 0.00 H new ATOM 0 HD23 LEU A 68 -1.885 -2.329 -11.759 1.00 0.00 H new ATOM 996 N GLN A 69 0.315 1.645 -11.517 1.00 0.00 N ATOM 997 CA GLN A 69 0.957 2.939 -11.313 1.00 0.00 C ATOM 998 C GLN A 69 1.186 3.205 -9.829 1.00 0.00 C ATOM 999 O GLN A 69 0.459 2.714 -8.966 1.00 0.00 O ATOM 1000 CB GLN A 69 0.103 4.055 -11.918 1.00 0.00 C ATOM 1001 CG GLN A 69 -0.127 3.904 -13.412 1.00 0.00 C ATOM 1002 CD GLN A 69 -0.653 5.173 -14.053 1.00 0.00 C ATOM 1003 OE1 GLN A 69 -0.002 6.217 -14.016 1.00 0.00 O ATOM 1004 NE2 GLN A 69 -1.838 5.089 -14.647 1.00 0.00 N ATOM 0 H GLN A 69 -0.678 1.625 -11.285 1.00 0.00 H new ATOM 0 HA GLN A 69 1.925 2.920 -11.813 1.00 0.00 H new ATOM 0 HB2 GLN A 69 -0.862 4.078 -11.411 1.00 0.00 H new ATOM 0 HB3 GLN A 69 0.586 5.014 -11.728 1.00 0.00 H new ATOM 0 HG2 GLN A 69 0.809 3.620 -13.893 1.00 0.00 H new ATOM 0 HG3 GLN A 69 -0.834 3.093 -13.587 1.00 0.00 H new ATOM 0 HE21 GLN A 69 -2.343 4.203 -14.654 1.00 0.00 H new ATOM 0 HE22 GLN A 69 -2.243 5.910 -15.096 1.00 0.00 H new ATOM 1013 N PRO A 70 2.223 4.000 -9.524 1.00 0.00 N ATOM 1014 CA PRO A 70 2.572 4.349 -8.144 1.00 0.00 C ATOM 1015 C PRO A 70 1.545 5.276 -7.502 1.00 0.00 C ATOM 1016 O PRO A 70 1.719 6.494 -7.485 1.00 0.00 O ATOM 1017 CB PRO A 70 3.919 5.062 -8.289 1.00 0.00 C ATOM 1018 CG PRO A 70 3.913 5.604 -9.677 1.00 0.00 C ATOM 1019 CD PRO A 70 3.132 4.620 -10.502 1.00 0.00 C ATOM 0 HA PRO A 70 2.605 3.472 -7.498 1.00 0.00 H new ATOM 0 HB2 PRO A 70 4.026 5.859 -7.553 1.00 0.00 H new ATOM 0 HB3 PRO A 70 4.750 4.373 -8.136 1.00 0.00 H new ATOM 0 HG2 PRO A 70 3.453 6.592 -9.708 1.00 0.00 H new ATOM 0 HG3 PRO A 70 4.928 5.713 -10.058 1.00 0.00 H new ATOM 0 HD2 PRO A 70 2.583 5.114 -11.304 1.00 0.00 H new ATOM 0 HD3 PRO A 70 3.783 3.882 -10.970 1.00 0.00 H new ATOM 1027 N GLY A 71 0.474 4.691 -6.975 1.00 0.00 N ATOM 1028 CA GLY A 71 -0.565 5.480 -6.339 1.00 0.00 C ATOM 1029 C GLY A 71 -1.904 4.769 -6.323 1.00 0.00 C ATOM 1030 O GLY A 71 -2.953 5.406 -6.416 1.00 0.00 O ATOM 0 H GLY A 71 0.307 3.685 -6.977 1.00 0.00 H new ATOM 0 HA2 GLY A 71 -0.267 5.711 -5.316 1.00 0.00 H new ATOM 0 HA3 GLY A 71 -0.668 6.430 -6.863 1.00 0.00 H new ATOM 1034 N ASP A 72 -1.868 3.447 -6.206 1.00 0.00 N ATOM 1035 CA ASP A 72 -3.089 2.649 -6.178 1.00 0.00 C ATOM 1036 C ASP A 72 -3.273 1.984 -4.817 1.00 0.00 C ATOM 1037 O ASP A 72 -2.307 1.766 -4.085 1.00 0.00 O ATOM 1038 CB ASP A 72 -3.054 1.586 -7.277 1.00 0.00 C ATOM 1039 CG ASP A 72 -1.990 0.534 -7.032 1.00 0.00 C ATOM 1040 OD1 ASP A 72 -1.801 0.143 -5.861 1.00 0.00 O ATOM 1041 OD2 ASP A 72 -1.348 0.100 -8.011 1.00 0.00 O ATOM 0 H ASP A 72 -1.008 2.905 -6.129 1.00 0.00 H new ATOM 0 HA ASP A 72 -3.933 3.316 -6.354 1.00 0.00 H new ATOM 0 HB2 ASP A 72 -4.029 1.104 -7.343 1.00 0.00 H new ATOM 0 HB3 ASP A 72 -2.871 2.067 -8.238 1.00 0.00 H new ATOM 1046 N VAL A 73 -4.519 1.666 -4.483 1.00 0.00 N ATOM 1047 CA VAL A 73 -4.831 1.027 -3.211 1.00 0.00 C ATOM 1048 C VAL A 73 -5.060 -0.470 -3.389 1.00 0.00 C ATOM 1049 O VAL A 73 -6.120 -0.896 -3.850 1.00 0.00 O ATOM 1050 CB VAL A 73 -6.078 1.652 -2.558 1.00 0.00 C ATOM 1051 CG1 VAL A 73 -6.477 0.874 -1.314 1.00 0.00 C ATOM 1052 CG2 VAL A 73 -5.828 3.115 -2.225 1.00 0.00 C ATOM 0 H VAL A 73 -5.330 1.841 -5.077 1.00 0.00 H new ATOM 0 HA VAL A 73 -3.972 1.185 -2.559 1.00 0.00 H new ATOM 0 HB VAL A 73 -6.903 1.601 -3.269 1.00 0.00 H new ATOM 0 HG11 VAL A 73 -7.360 1.331 -0.867 1.00 0.00 H new ATOM 0 HG12 VAL A 73 -6.701 -0.158 -1.586 1.00 0.00 H new ATOM 0 HG13 VAL A 73 -5.657 0.890 -0.596 1.00 0.00 H new ATOM 0 HG21 VAL A 73 -6.719 3.541 -1.764 1.00 0.00 H new ATOM 0 HG22 VAL A 73 -4.990 3.192 -1.533 1.00 0.00 H new ATOM 0 HG23 VAL A 73 -5.596 3.662 -3.139 1.00 0.00 H new ATOM 1062 N LEU A 74 -4.061 -1.264 -3.021 1.00 0.00 N ATOM 1063 CA LEU A 74 -4.153 -2.715 -3.139 1.00 0.00 C ATOM 1064 C LEU A 74 -5.317 -3.256 -2.314 1.00 0.00 C ATOM 1065 O LEU A 74 -5.707 -2.661 -1.309 1.00 0.00 O ATOM 1066 CB LEU A 74 -2.846 -3.368 -2.687 1.00 0.00 C ATOM 1067 CG LEU A 74 -1.562 -2.763 -3.256 1.00 0.00 C ATOM 1068 CD1 LEU A 74 -0.343 -3.338 -2.551 1.00 0.00 C ATOM 1069 CD2 LEU A 74 -1.477 -3.008 -4.756 1.00 0.00 C ATOM 0 H LEU A 74 -3.177 -0.928 -2.638 1.00 0.00 H new ATOM 0 HA LEU A 74 -4.330 -2.959 -4.187 1.00 0.00 H new ATOM 0 HB2 LEU A 74 -2.796 -3.319 -1.599 1.00 0.00 H new ATOM 0 HB3 LEU A 74 -2.878 -4.423 -2.958 1.00 0.00 H new ATOM 0 HG LEU A 74 -1.582 -1.687 -3.084 1.00 0.00 H new ATOM 0 HD11 LEU A 74 0.561 -2.896 -2.969 1.00 0.00 H new ATOM 0 HD12 LEU A 74 -0.398 -3.112 -1.486 1.00 0.00 H new ATOM 0 HD13 LEU A 74 -0.317 -4.419 -2.692 1.00 0.00 H new ATOM 0 HD21 LEU A 74 -0.557 -2.571 -5.145 1.00 0.00 H new ATOM 0 HD22 LEU A 74 -1.479 -4.081 -4.950 1.00 0.00 H new ATOM 0 HD23 LEU A 74 -2.334 -2.548 -5.249 1.00 0.00 H new ATOM 1081 N ILE A 75 -5.865 -4.387 -2.745 1.00 0.00 N ATOM 1082 CA ILE A 75 -6.981 -5.009 -2.044 1.00 0.00 C ATOM 1083 C ILE A 75 -6.827 -6.526 -2.001 1.00 0.00 C ATOM 1084 O ILE A 75 -7.767 -7.247 -1.667 1.00 0.00 O ATOM 1085 CB ILE A 75 -8.327 -4.661 -2.707 1.00 0.00 C ATOM 1086 CG1 ILE A 75 -8.497 -3.143 -2.800 1.00 0.00 C ATOM 1087 CG2 ILE A 75 -9.478 -5.281 -1.929 1.00 0.00 C ATOM 1088 CD1 ILE A 75 -8.174 -2.582 -4.168 1.00 0.00 C ATOM 0 H ILE A 75 -5.555 -4.891 -3.576 1.00 0.00 H new ATOM 0 HA ILE A 75 -6.973 -4.616 -1.027 1.00 0.00 H new ATOM 0 HB ILE A 75 -8.334 -5.072 -3.717 1.00 0.00 H new ATOM 0 HG12 ILE A 75 -9.524 -2.884 -2.543 1.00 0.00 H new ATOM 0 HG13 ILE A 75 -7.854 -2.667 -2.060 1.00 0.00 H new ATOM 0 HG21 ILE A 75 -10.422 -5.026 -2.411 1.00 0.00 H new ATOM 0 HG22 ILE A 75 -9.362 -6.365 -1.910 1.00 0.00 H new ATOM 0 HG23 ILE A 75 -9.476 -4.898 -0.909 1.00 0.00 H new ATOM 0 HD11 ILE A 75 -8.316 -1.501 -4.161 1.00 0.00 H new ATOM 0 HD12 ILE A 75 -7.138 -2.810 -4.419 1.00 0.00 H new ATOM 0 HD13 ILE A 75 -8.835 -3.030 -4.910 1.00 0.00 H new ATOM 1100 N SER A 76 -5.633 -7.003 -2.339 1.00 0.00 N ATOM 1101 CA SER A 76 -5.355 -8.435 -2.341 1.00 0.00 C ATOM 1102 C SER A 76 -4.135 -8.750 -3.201 1.00 0.00 C ATOM 1103 O SER A 76 -4.262 -9.262 -4.314 1.00 0.00 O ATOM 1104 CB SER A 76 -6.570 -9.211 -2.853 1.00 0.00 C ATOM 1105 OG SER A 76 -7.283 -9.806 -1.783 1.00 0.00 O ATOM 0 H SER A 76 -4.843 -6.419 -2.615 1.00 0.00 H new ATOM 0 HA SER A 76 -5.144 -8.741 -1.316 1.00 0.00 H new ATOM 0 HB2 SER A 76 -7.228 -8.540 -3.404 1.00 0.00 H new ATOM 0 HB3 SER A 76 -6.245 -9.982 -3.551 1.00 0.00 H new ATOM 0 HG SER A 76 -7.801 -9.120 -1.314 1.00 0.00 H new ATOM 1111 N VAL A 77 -2.953 -8.439 -2.678 1.00 0.00 N ATOM 1112 CA VAL A 77 -1.710 -8.690 -3.397 1.00 0.00 C ATOM 1113 C VAL A 77 -1.206 -10.107 -3.146 1.00 0.00 C ATOM 1114 O VAL A 77 -0.684 -10.411 -2.074 1.00 0.00 O ATOM 1115 CB VAL A 77 -0.614 -7.688 -2.988 1.00 0.00 C ATOM 1116 CG1 VAL A 77 0.749 -8.159 -3.473 1.00 0.00 C ATOM 1117 CG2 VAL A 77 -0.932 -6.302 -3.529 1.00 0.00 C ATOM 0 H VAL A 77 -2.830 -8.013 -1.759 1.00 0.00 H new ATOM 0 HA VAL A 77 -1.928 -8.567 -4.458 1.00 0.00 H new ATOM 0 HB VAL A 77 -0.585 -7.631 -1.900 1.00 0.00 H new ATOM 0 HG11 VAL A 77 1.510 -7.438 -3.175 1.00 0.00 H new ATOM 0 HG12 VAL A 77 0.976 -9.130 -3.033 1.00 0.00 H new ATOM 0 HG13 VAL A 77 0.738 -8.247 -4.559 1.00 0.00 H new ATOM 0 HG21 VAL A 77 -0.148 -5.606 -3.231 1.00 0.00 H new ATOM 0 HG22 VAL A 77 -0.989 -6.340 -4.617 1.00 0.00 H new ATOM 0 HG23 VAL A 77 -1.888 -5.965 -3.127 1.00 0.00 H new ATOM 1127 N GLY A 78 -1.367 -10.971 -4.143 1.00 0.00 N ATOM 1128 CA GLY A 78 -0.923 -12.347 -4.012 1.00 0.00 C ATOM 1129 C GLY A 78 -1.912 -13.205 -3.248 1.00 0.00 C ATOM 1130 O GLY A 78 -1.529 -13.959 -2.353 1.00 0.00 O ATOM 0 H GLY A 78 -1.797 -10.743 -5.039 1.00 0.00 H new ATOM 0 HA2 GLY A 78 -0.769 -12.772 -5.004 1.00 0.00 H new ATOM 0 HA3 GLY A 78 0.041 -12.368 -3.503 1.00 0.00 H new ATOM 1134 N HIS A 79 -3.189 -13.089 -3.600 1.00 0.00 N ATOM 1135 CA HIS A 79 -4.236 -13.860 -2.940 1.00 0.00 C ATOM 1136 C HIS A 79 -4.264 -13.569 -1.443 1.00 0.00 C ATOM 1137 O HIS A 79 -4.820 -14.340 -0.661 1.00 0.00 O ATOM 1138 CB HIS A 79 -4.024 -15.356 -3.177 1.00 0.00 C ATOM 1139 CG HIS A 79 -5.296 -16.112 -3.406 1.00 0.00 C ATOM 1140 ND1 HIS A 79 -5.792 -17.039 -2.513 1.00 0.00 N ATOM 1141 CD2 HIS A 79 -6.176 -16.075 -4.434 1.00 0.00 C ATOM 1142 CE1 HIS A 79 -6.921 -17.539 -2.982 1.00 0.00 C ATOM 1143 NE2 HIS A 79 -7.176 -16.970 -4.147 1.00 0.00 N ATOM 0 H HIS A 79 -3.523 -12.469 -4.338 1.00 0.00 H new ATOM 0 HA HIS A 79 -5.194 -13.564 -3.367 1.00 0.00 H new ATOM 0 HB2 HIS A 79 -3.371 -15.490 -4.039 1.00 0.00 H new ATOM 0 HB3 HIS A 79 -3.507 -15.782 -2.317 1.00 0.00 H new ATOM 0 HD2 HIS A 79 -6.104 -15.456 -5.316 1.00 0.00 H new ATOM 0 HE1 HIS A 79 -7.532 -18.286 -2.496 1.00 0.00 H new ATOM 0 HE2 HIS A 79 -7.985 -17.164 -4.737 1.00 0.00 H new ATOM 1152 N ALA A 80 -3.660 -12.452 -1.051 1.00 0.00 N ATOM 1153 CA ALA A 80 -3.617 -12.058 0.352 1.00 0.00 C ATOM 1154 C ALA A 80 -4.258 -10.690 0.558 1.00 0.00 C ATOM 1155 O ALA A 80 -3.611 -9.658 0.382 1.00 0.00 O ATOM 1156 CB ALA A 80 -2.181 -12.052 0.854 1.00 0.00 C ATOM 0 H ALA A 80 -3.194 -11.804 -1.685 1.00 0.00 H new ATOM 0 HA ALA A 80 -4.188 -12.787 0.927 1.00 0.00 H new ATOM 0 HB1 ALA A 80 -2.163 -11.756 1.903 1.00 0.00 H new ATOM 0 HB2 ALA A 80 -1.756 -13.050 0.751 1.00 0.00 H new ATOM 0 HB3 ALA A 80 -1.594 -11.345 0.268 1.00 0.00 H new ATOM 1162 N ASN A 81 -5.533 -10.689 0.931 1.00 0.00 N ATOM 1163 CA ASN A 81 -6.262 -9.446 1.160 1.00 0.00 C ATOM 1164 C ASN A 81 -5.435 -8.478 2.002 1.00 0.00 C ATOM 1165 O ASN A 81 -5.439 -8.548 3.231 1.00 0.00 O ATOM 1166 CB ASN A 81 -7.595 -9.733 1.854 1.00 0.00 C ATOM 1167 CG ASN A 81 -8.492 -8.511 1.911 1.00 0.00 C ATOM 1168 OD1 ASN A 81 -8.497 -7.776 2.898 1.00 0.00 O ATOM 1169 ND2 ASN A 81 -9.256 -8.289 0.848 1.00 0.00 N ATOM 0 H ASN A 81 -6.083 -11.535 1.081 1.00 0.00 H new ATOM 0 HA ASN A 81 -6.456 -8.984 0.192 1.00 0.00 H new ATOM 0 HB2 ASN A 81 -8.111 -10.535 1.326 1.00 0.00 H new ATOM 0 HB3 ASN A 81 -7.405 -10.089 2.867 1.00 0.00 H new ATOM 0 HD21 ASN A 81 -9.880 -7.482 0.828 1.00 0.00 H new ATOM 0 HD22 ASN A 81 -9.219 -8.925 0.052 1.00 0.00 H new ATOM 1176 N VAL A 82 -4.727 -7.575 1.331 1.00 0.00 N ATOM 1177 CA VAL A 82 -3.897 -6.592 2.016 1.00 0.00 C ATOM 1178 C VAL A 82 -4.678 -5.313 2.295 1.00 0.00 C ATOM 1179 O VAL A 82 -4.100 -4.282 2.642 1.00 0.00 O ATOM 1180 CB VAL A 82 -2.643 -6.245 1.192 1.00 0.00 C ATOM 1181 CG1 VAL A 82 -1.799 -7.487 0.955 1.00 0.00 C ATOM 1182 CG2 VAL A 82 -3.035 -5.597 -0.128 1.00 0.00 C ATOM 0 H VAL A 82 -4.712 -7.504 0.314 1.00 0.00 H new ATOM 0 HA VAL A 82 -3.589 -7.040 2.961 1.00 0.00 H new ATOM 0 HB VAL A 82 -2.045 -5.531 1.758 1.00 0.00 H new ATOM 0 HG11 VAL A 82 -0.918 -7.222 0.371 1.00 0.00 H new ATOM 0 HG12 VAL A 82 -1.488 -7.904 1.913 1.00 0.00 H new ATOM 0 HG13 VAL A 82 -2.386 -8.227 0.411 1.00 0.00 H new ATOM 0 HG21 VAL A 82 -2.137 -5.359 -0.697 1.00 0.00 H new ATOM 0 HG22 VAL A 82 -3.656 -6.286 -0.701 1.00 0.00 H new ATOM 0 HG23 VAL A 82 -3.594 -4.682 0.068 1.00 0.00 H new ATOM 1192 N LEU A 83 -5.996 -5.385 2.143 1.00 0.00 N ATOM 1193 CA LEU A 83 -6.858 -4.233 2.380 1.00 0.00 C ATOM 1194 C LEU A 83 -6.450 -3.500 3.653 1.00 0.00 C ATOM 1195 O LEU A 83 -6.122 -2.314 3.621 1.00 0.00 O ATOM 1196 CB LEU A 83 -8.319 -4.676 2.478 1.00 0.00 C ATOM 1197 CG LEU A 83 -9.324 -3.863 1.662 1.00 0.00 C ATOM 1198 CD1 LEU A 83 -10.642 -4.611 1.540 1.00 0.00 C ATOM 1199 CD2 LEU A 83 -9.541 -2.495 2.293 1.00 0.00 C ATOM 0 H LEU A 83 -6.491 -6.230 1.857 1.00 0.00 H new ATOM 0 HA LEU A 83 -6.748 -3.549 1.539 1.00 0.00 H new ATOM 0 HB2 LEU A 83 -8.384 -5.717 2.163 1.00 0.00 H new ATOM 0 HB3 LEU A 83 -8.619 -4.641 3.525 1.00 0.00 H new ATOM 0 HG LEU A 83 -8.918 -3.719 0.661 1.00 0.00 H new ATOM 0 HD11 LEU A 83 -11.345 -4.017 0.956 1.00 0.00 H new ATOM 0 HD12 LEU A 83 -10.474 -5.566 1.043 1.00 0.00 H new ATOM 0 HD13 LEU A 83 -11.054 -4.787 2.534 1.00 0.00 H new ATOM 0 HD21 LEU A 83 -10.259 -1.930 1.699 1.00 0.00 H new ATOM 0 HD22 LEU A 83 -9.925 -2.618 3.306 1.00 0.00 H new ATOM 0 HD23 LEU A 83 -8.594 -1.956 2.327 1.00 0.00 H new ATOM 1211 N GLY A 84 -6.470 -4.215 4.774 1.00 0.00 N ATOM 1212 CA GLY A 84 -6.098 -3.616 6.043 1.00 0.00 C ATOM 1213 C GLY A 84 -4.663 -3.917 6.427 1.00 0.00 C ATOM 1214 O GLY A 84 -4.310 -3.889 7.606 1.00 0.00 O ATOM 0 H GLY A 84 -6.737 -5.198 4.826 1.00 0.00 H new ATOM 0 HA2 GLY A 84 -6.237 -2.536 5.986 1.00 0.00 H new ATOM 0 HA3 GLY A 84 -6.764 -3.983 6.824 1.00 0.00 H new ATOM 1218 N TYR A 85 -3.834 -4.206 5.430 1.00 0.00 N ATOM 1219 CA TYR A 85 -2.429 -4.517 5.670 1.00 0.00 C ATOM 1220 C TYR A 85 -1.593 -3.243 5.741 1.00 0.00 C ATOM 1221 O TYR A 85 -1.838 -2.283 5.010 1.00 0.00 O ATOM 1222 CB TYR A 85 -1.893 -5.432 4.568 1.00 0.00 C ATOM 1223 CG TYR A 85 -1.642 -6.851 5.026 1.00 0.00 C ATOM 1224 CD1 TYR A 85 -2.491 -7.467 5.937 1.00 0.00 C ATOM 1225 CD2 TYR A 85 -0.556 -7.575 4.550 1.00 0.00 C ATOM 1226 CE1 TYR A 85 -2.266 -8.763 6.360 1.00 0.00 C ATOM 1227 CE2 TYR A 85 -0.324 -8.871 4.966 1.00 0.00 C ATOM 1228 CZ TYR A 85 -1.182 -9.461 5.871 1.00 0.00 C ATOM 1229 OH TYR A 85 -0.953 -10.752 6.289 1.00 0.00 O ATOM 0 H TYR A 85 -4.110 -4.231 4.448 1.00 0.00 H new ATOM 0 HA TYR A 85 -2.355 -5.031 6.628 1.00 0.00 H new ATOM 0 HB2 TYR A 85 -2.604 -5.446 3.742 1.00 0.00 H new ATOM 0 HB3 TYR A 85 -0.963 -5.014 4.181 1.00 0.00 H new ATOM 0 HD1 TYR A 85 -3.342 -6.923 6.321 1.00 0.00 H new ATOM 0 HD2 TYR A 85 0.118 -7.116 3.842 1.00 0.00 H new ATOM 0 HE1 TYR A 85 -2.935 -9.227 7.070 1.00 0.00 H new ATOM 0 HE2 TYR A 85 0.525 -9.420 4.585 1.00 0.00 H new ATOM 0 HH TYR A 85 -0.150 -11.101 5.849 1.00 0.00 H new ATOM 1239 N THR A 86 -0.603 -3.242 6.628 1.00 0.00 N ATOM 1240 CA THR A 86 0.270 -2.087 6.797 1.00 0.00 C ATOM 1241 C THR A 86 1.618 -2.314 6.122 1.00 0.00 C ATOM 1242 O THR A 86 1.948 -3.434 5.731 1.00 0.00 O ATOM 1243 CB THR A 86 0.502 -1.771 8.287 1.00 0.00 C ATOM 1244 OG1 THR A 86 1.757 -2.314 8.713 1.00 0.00 O ATOM 1245 CG2 THR A 86 -0.620 -2.342 9.142 1.00 0.00 C ATOM 0 H THR A 86 -0.386 -4.028 7.240 1.00 0.00 H new ATOM 0 HA THR A 86 -0.231 -1.241 6.327 1.00 0.00 H new ATOM 0 HB THR A 86 0.515 -0.688 8.409 1.00 0.00 H new ATOM 0 HG1 THR A 86 1.898 -2.108 9.661 1.00 0.00 H new ATOM 0 HG21 THR A 86 -0.435 -2.107 10.190 1.00 0.00 H new ATOM 0 HG22 THR A 86 -1.570 -1.905 8.834 1.00 0.00 H new ATOM 0 HG23 THR A 86 -0.660 -3.424 9.015 1.00 0.00 H new ATOM 1253 N LEU A 87 2.394 -1.244 5.987 1.00 0.00 N ATOM 1254 CA LEU A 87 3.708 -1.326 5.359 1.00 0.00 C ATOM 1255 C LEU A 87 4.532 -2.457 5.966 1.00 0.00 C ATOM 1256 O LEU A 87 5.514 -2.908 5.377 1.00 0.00 O ATOM 1257 CB LEU A 87 4.452 0.002 5.512 1.00 0.00 C ATOM 1258 CG LEU A 87 4.978 0.629 4.220 1.00 0.00 C ATOM 1259 CD1 LEU A 87 5.603 1.986 4.502 1.00 0.00 C ATOM 1260 CD2 LEU A 87 5.984 -0.295 3.550 1.00 0.00 C ATOM 0 H LEU A 87 2.136 -0.310 6.304 1.00 0.00 H new ATOM 0 HA LEU A 87 3.564 -1.535 4.299 1.00 0.00 H new ATOM 0 HB2 LEU A 87 3.784 0.716 5.993 1.00 0.00 H new ATOM 0 HB3 LEU A 87 5.294 -0.152 6.187 1.00 0.00 H new ATOM 0 HG LEU A 87 4.138 0.773 3.540 1.00 0.00 H new ATOM 0 HD11 LEU A 87 5.972 2.417 3.571 1.00 0.00 H new ATOM 0 HD12 LEU A 87 4.854 2.648 4.937 1.00 0.00 H new ATOM 0 HD13 LEU A 87 6.432 1.867 5.200 1.00 0.00 H new ATOM 0 HD21 LEU A 87 6.348 0.167 2.632 1.00 0.00 H new ATOM 0 HD22 LEU A 87 6.822 -0.471 4.225 1.00 0.00 H new ATOM 0 HD23 LEU A 87 5.504 -1.244 3.312 1.00 0.00 H new ATOM 1272 N ARG A 88 4.124 -2.912 7.146 1.00 0.00 N ATOM 1273 CA ARG A 88 4.824 -3.991 7.833 1.00 0.00 C ATOM 1274 C ARG A 88 4.340 -5.352 7.341 1.00 0.00 C ATOM 1275 O ARG A 88 5.093 -6.101 6.720 1.00 0.00 O ATOM 1276 CB ARG A 88 4.618 -3.880 9.345 1.00 0.00 C ATOM 1277 CG ARG A 88 5.815 -3.302 10.081 1.00 0.00 C ATOM 1278 CD ARG A 88 6.740 -4.398 10.589 1.00 0.00 C ATOM 1279 NE ARG A 88 7.951 -3.854 11.196 1.00 0.00 N ATOM 1280 CZ ARG A 88 8.889 -4.604 11.764 1.00 0.00 C ATOM 1281 NH1 ARG A 88 8.756 -5.923 11.801 1.00 0.00 N ATOM 1282 NH2 ARG A 88 9.964 -4.036 12.295 1.00 0.00 N ATOM 0 H ARG A 88 3.312 -2.550 7.646 1.00 0.00 H new ATOM 0 HA ARG A 88 5.887 -3.900 7.611 1.00 0.00 H new ATOM 0 HB2 ARG A 88 3.746 -3.255 9.540 1.00 0.00 H new ATOM 0 HB3 ARG A 88 4.398 -4.869 9.747 1.00 0.00 H new ATOM 0 HG2 ARG A 88 6.367 -2.638 9.415 1.00 0.00 H new ATOM 0 HG3 ARG A 88 5.470 -2.698 10.920 1.00 0.00 H new ATOM 0 HD2 ARG A 88 6.211 -5.009 11.320 1.00 0.00 H new ATOM 0 HD3 ARG A 88 7.012 -5.055 9.763 1.00 0.00 H new ATOM 0 HE ARG A 88 8.084 -2.843 11.183 1.00 0.00 H new ATOM 0 HH11 ARG A 88 7.932 -6.364 11.393 1.00 0.00 H new ATOM 0 HH12 ARG A 88 9.478 -6.496 12.238 1.00 0.00 H new ATOM 0 HH21 ARG A 88 10.071 -3.022 12.268 1.00 0.00 H new ATOM 0 HH22 ARG A 88 10.683 -4.613 12.731 1.00 0.00 H new ATOM 1296 N GLU A 89 3.079 -5.664 7.625 1.00 0.00 N ATOM 1297 CA GLU A 89 2.497 -6.935 7.213 1.00 0.00 C ATOM 1298 C GLU A 89 2.517 -7.076 5.693 1.00 0.00 C ATOM 1299 O GLU A 89 2.416 -8.181 5.159 1.00 0.00 O ATOM 1300 CB GLU A 89 1.061 -7.055 7.728 1.00 0.00 C ATOM 1301 CG GLU A 89 0.914 -6.723 9.203 1.00 0.00 C ATOM 1302 CD GLU A 89 -0.432 -7.138 9.764 1.00 0.00 C ATOM 1303 OE1 GLU A 89 -1.459 -6.857 9.112 1.00 0.00 O ATOM 1304 OE2 GLU A 89 -0.458 -7.746 10.855 1.00 0.00 O ATOM 0 H GLU A 89 2.442 -5.054 8.138 1.00 0.00 H new ATOM 0 HA GLU A 89 3.098 -7.736 7.643 1.00 0.00 H new ATOM 0 HB2 GLU A 89 0.420 -6.391 7.149 1.00 0.00 H new ATOM 0 HB3 GLU A 89 0.706 -8.071 7.556 1.00 0.00 H new ATOM 0 HG2 GLU A 89 1.706 -7.220 9.764 1.00 0.00 H new ATOM 0 HG3 GLU A 89 1.047 -5.651 9.345 1.00 0.00 H new ATOM 1311 N PHE A 90 2.646 -5.948 5.002 1.00 0.00 N ATOM 1312 CA PHE A 90 2.678 -5.944 3.545 1.00 0.00 C ATOM 1313 C PHE A 90 4.063 -6.325 3.029 1.00 0.00 C ATOM 1314 O PHE A 90 4.228 -7.342 2.353 1.00 0.00 O ATOM 1315 CB PHE A 90 2.284 -4.566 3.009 1.00 0.00 C ATOM 1316 CG PHE A 90 2.244 -4.495 1.509 1.00 0.00 C ATOM 1317 CD1 PHE A 90 1.504 -5.411 0.778 1.00 0.00 C ATOM 1318 CD2 PHE A 90 2.945 -3.512 0.829 1.00 0.00 C ATOM 1319 CE1 PHE A 90 1.466 -5.349 -0.602 1.00 0.00 C ATOM 1320 CE2 PHE A 90 2.910 -3.445 -0.551 1.00 0.00 C ATOM 1321 CZ PHE A 90 2.169 -4.364 -1.267 1.00 0.00 C ATOM 0 H PHE A 90 2.730 -5.025 5.428 1.00 0.00 H new ATOM 0 HA PHE A 90 1.961 -6.684 3.189 1.00 0.00 H new ATOM 0 HB2 PHE A 90 1.304 -4.298 3.404 1.00 0.00 H new ATOM 0 HB3 PHE A 90 2.991 -3.825 3.381 1.00 0.00 H new ATOM 0 HD1 PHE A 90 0.951 -6.182 1.293 1.00 0.00 H new ATOM 0 HD2 PHE A 90 3.525 -2.790 1.384 1.00 0.00 H new ATOM 0 HE1 PHE A 90 0.887 -6.070 -1.160 1.00 0.00 H new ATOM 0 HE2 PHE A 90 3.462 -2.674 -1.069 1.00 0.00 H new ATOM 0 HZ PHE A 90 2.139 -4.313 -2.345 1.00 0.00 H new ATOM 1331 N LEU A 91 5.055 -5.503 3.353 1.00 0.00 N ATOM 1332 CA LEU A 91 6.426 -5.753 2.924 1.00 0.00 C ATOM 1333 C LEU A 91 6.923 -7.099 3.443 1.00 0.00 C ATOM 1334 O LEU A 91 7.654 -7.811 2.754 1.00 0.00 O ATOM 1335 CB LEU A 91 7.347 -4.633 3.413 1.00 0.00 C ATOM 1336 CG LEU A 91 7.143 -3.265 2.762 1.00 0.00 C ATOM 1337 CD1 LEU A 91 8.040 -3.115 1.544 1.00 0.00 C ATOM 1338 CD2 LEU A 91 5.684 -3.068 2.380 1.00 0.00 C ATOM 0 H LEU A 91 4.935 -4.658 3.911 1.00 0.00 H new ATOM 0 HA LEU A 91 6.440 -5.777 1.834 1.00 0.00 H new ATOM 0 HB2 LEU A 91 7.214 -4.524 4.489 1.00 0.00 H new ATOM 0 HB3 LEU A 91 8.380 -4.941 3.249 1.00 0.00 H new ATOM 0 HG LEU A 91 7.415 -2.496 3.485 1.00 0.00 H new ATOM 0 HD11 LEU A 91 7.881 -2.135 1.094 1.00 0.00 H new ATOM 0 HD12 LEU A 91 9.083 -3.211 1.846 1.00 0.00 H new ATOM 0 HD13 LEU A 91 7.800 -3.891 0.818 1.00 0.00 H new ATOM 0 HD21 LEU A 91 5.558 -2.089 1.918 1.00 0.00 H new ATOM 0 HD22 LEU A 91 5.385 -3.843 1.675 1.00 0.00 H new ATOM 0 HD23 LEU A 91 5.062 -3.131 3.273 1.00 0.00 H new ATOM 1350 N LYS A 92 6.521 -7.442 4.662 1.00 0.00 N ATOM 1351 CA LYS A 92 6.921 -8.703 5.273 1.00 0.00 C ATOM 1352 C LYS A 92 6.263 -9.884 4.567 1.00 0.00 C ATOM 1353 O LYS A 92 6.811 -10.987 4.537 1.00 0.00 O ATOM 1354 CB LYS A 92 6.552 -8.714 6.758 1.00 0.00 C ATOM 1355 CG LYS A 92 5.199 -9.343 7.044 1.00 0.00 C ATOM 1356 CD LYS A 92 5.314 -10.844 7.246 1.00 0.00 C ATOM 1357 CE LYS A 92 5.633 -11.190 8.693 1.00 0.00 C ATOM 1358 NZ LYS A 92 4.413 -11.578 9.452 1.00 0.00 N ATOM 0 H LYS A 92 5.918 -6.863 5.246 1.00 0.00 H new ATOM 0 HA LYS A 92 8.002 -8.799 5.172 1.00 0.00 H new ATOM 0 HB2 LYS A 92 7.319 -9.256 7.310 1.00 0.00 H new ATOM 0 HB3 LYS A 92 6.554 -7.690 7.132 1.00 0.00 H new ATOM 0 HG2 LYS A 92 4.766 -8.887 7.934 1.00 0.00 H new ATOM 0 HG3 LYS A 92 4.519 -9.137 6.217 1.00 0.00 H new ATOM 0 HD2 LYS A 92 4.380 -11.324 6.954 1.00 0.00 H new ATOM 0 HD3 LYS A 92 6.094 -11.241 6.596 1.00 0.00 H new ATOM 0 HE2 LYS A 92 6.353 -12.008 8.721 1.00 0.00 H new ATOM 0 HE3 LYS A 92 6.104 -10.334 9.176 1.00 0.00 H new ATOM 0 HZ1 LYS A 92 4.672 -11.806 10.433 1.00 0.00 H new ATOM 0 HZ2 LYS A 92 3.736 -10.789 9.448 1.00 0.00 H new ATOM 0 HZ3 LYS A 92 3.977 -12.411 9.007 1.00 0.00 H new ATOM 1372 N LEU A 93 5.087 -9.645 3.998 1.00 0.00 N ATOM 1373 CA LEU A 93 4.354 -10.689 3.289 1.00 0.00 C ATOM 1374 C LEU A 93 4.977 -10.961 1.924 1.00 0.00 C ATOM 1375 O LEU A 93 5.389 -12.084 1.629 1.00 0.00 O ATOM 1376 CB LEU A 93 2.888 -10.287 3.122 1.00 0.00 C ATOM 1377 CG LEU A 93 2.106 -11.034 2.041 1.00 0.00 C ATOM 1378 CD1 LEU A 93 1.050 -11.930 2.669 1.00 0.00 C ATOM 1379 CD2 LEU A 93 1.465 -10.052 1.071 1.00 0.00 C ATOM 0 H LEU A 93 4.620 -8.738 4.013 1.00 0.00 H new ATOM 0 HA LEU A 93 4.409 -11.602 3.881 1.00 0.00 H new ATOM 0 HB2 LEU A 93 2.381 -10.434 4.076 1.00 0.00 H new ATOM 0 HB3 LEU A 93 2.848 -9.221 2.900 1.00 0.00 H new ATOM 0 HG LEU A 93 2.802 -11.662 1.485 1.00 0.00 H new ATOM 0 HD11 LEU A 93 0.504 -12.453 1.884 1.00 0.00 H new ATOM 0 HD12 LEU A 93 1.532 -12.657 3.323 1.00 0.00 H new ATOM 0 HD13 LEU A 93 0.357 -11.323 3.251 1.00 0.00 H new ATOM 0 HD21 LEU A 93 0.913 -10.602 0.309 1.00 0.00 H new ATOM 0 HD22 LEU A 93 0.782 -9.398 1.613 1.00 0.00 H new ATOM 0 HD23 LEU A 93 2.241 -9.452 0.595 1.00 0.00 H new ATOM 1391 N LEU A 94 5.046 -9.926 1.094 1.00 0.00 N ATOM 1392 CA LEU A 94 5.622 -10.051 -0.240 1.00 0.00 C ATOM 1393 C LEU A 94 7.018 -10.664 -0.176 1.00 0.00 C ATOM 1394 O LEU A 94 7.447 -11.351 -1.102 1.00 0.00 O ATOM 1395 CB LEU A 94 5.684 -8.683 -0.922 1.00 0.00 C ATOM 1396 CG LEU A 94 4.392 -7.866 -0.905 1.00 0.00 C ATOM 1397 CD1 LEU A 94 4.622 -6.492 -1.516 1.00 0.00 C ATOM 1398 CD2 LEU A 94 3.285 -8.602 -1.645 1.00 0.00 C ATOM 0 H LEU A 94 4.710 -8.990 1.322 1.00 0.00 H new ATOM 0 HA LEU A 94 4.981 -10.712 -0.824 1.00 0.00 H new ATOM 0 HB2 LEU A 94 6.468 -8.096 -0.444 1.00 0.00 H new ATOM 0 HB3 LEU A 94 5.984 -8.830 -1.960 1.00 0.00 H new ATOM 0 HG LEU A 94 4.082 -7.733 0.132 1.00 0.00 H new ATOM 0 HD11 LEU A 94 3.692 -5.924 -1.496 1.00 0.00 H new ATOM 0 HD12 LEU A 94 5.383 -5.962 -0.943 1.00 0.00 H new ATOM 0 HD13 LEU A 94 4.956 -6.604 -2.547 1.00 0.00 H new ATOM 0 HD21 LEU A 94 2.373 -8.005 -1.622 1.00 0.00 H new ATOM 0 HD22 LEU A 94 3.586 -8.766 -2.680 1.00 0.00 H new ATOM 0 HD23 LEU A 94 3.102 -9.563 -1.164 1.00 0.00 H new ATOM 1410 N GLN A 95 7.719 -10.411 0.925 1.00 0.00 N ATOM 1411 CA GLN A 95 9.065 -10.940 1.110 1.00 0.00 C ATOM 1412 C GLN A 95 9.057 -12.465 1.105 1.00 0.00 C ATOM 1413 O GLN A 95 10.110 -13.100 1.098 1.00 0.00 O ATOM 1414 CB GLN A 95 9.661 -10.425 2.422 1.00 0.00 C ATOM 1415 CG GLN A 95 10.457 -9.140 2.265 1.00 0.00 C ATOM 1416 CD GLN A 95 11.804 -9.199 2.958 1.00 0.00 C ATOM 1417 OE1 GLN A 95 12.168 -10.218 3.547 1.00 0.00 O ATOM 1418 NE2 GLN A 95 12.554 -8.105 2.891 1.00 0.00 N ATOM 0 H GLN A 95 7.378 -9.844 1.701 1.00 0.00 H new ATOM 0 HA GLN A 95 9.681 -10.596 0.279 1.00 0.00 H new ATOM 0 HB2 GLN A 95 8.855 -10.258 3.137 1.00 0.00 H new ATOM 0 HB3 GLN A 95 10.308 -11.194 2.844 1.00 0.00 H new ATOM 0 HG2 GLN A 95 10.607 -8.937 1.205 1.00 0.00 H new ATOM 0 HG3 GLN A 95 9.881 -8.308 2.670 1.00 0.00 H new ATOM 0 HE21 GLN A 95 12.213 -7.283 2.393 1.00 0.00 H new ATOM 0 HE22 GLN A 95 13.471 -8.087 3.338 1.00 0.00 H new ATOM 1427 N ASN A 96 7.861 -13.045 1.109 1.00 0.00 N ATOM 1428 CA ASN A 96 7.716 -14.496 1.106 1.00 0.00 C ATOM 1429 C ASN A 96 7.449 -15.013 -0.305 1.00 0.00 C ATOM 1430 O ASN A 96 7.328 -16.219 -0.522 1.00 0.00 O ATOM 1431 CB ASN A 96 6.580 -14.918 2.039 1.00 0.00 C ATOM 1432 CG ASN A 96 6.846 -14.537 3.483 1.00 0.00 C ATOM 1433 OD1 ASN A 96 7.130 -13.261 3.715 1.00 0.00 O flip ATOM 1434 ND2 ASN A 96 6.795 -15.380 4.379 1.00 0.00 N flip ATOM 0 H ASN A 96 6.979 -12.533 1.114 1.00 0.00 H new ATOM 0 HA ASN A 96 8.650 -14.930 1.463 1.00 0.00 H new ATOM 0 HB2 ASN A 96 5.651 -14.454 1.709 1.00 0.00 H new ATOM 0 HB3 ASN A 96 6.439 -15.997 1.971 1.00 0.00 H new ATOM 0 HD21 ASN A 96 6.573 -16.350 4.155 1.00 0.00 H new ATOM 0 HD22 ASN A 96 6.975 -15.108 5.346 1.00 0.00 H new ATOM 1441 N ILE A 97 7.359 -14.093 -1.259 1.00 0.00 N ATOM 1442 CA ILE A 97 7.108 -14.456 -2.648 1.00 0.00 C ATOM 1443 C ILE A 97 8.355 -15.051 -3.294 1.00 0.00 C ATOM 1444 O ILE A 97 9.467 -14.562 -3.093 1.00 0.00 O ATOM 1445 CB ILE A 97 6.647 -13.240 -3.473 1.00 0.00 C ATOM 1446 CG1 ILE A 97 5.480 -12.537 -2.777 1.00 0.00 C ATOM 1447 CG2 ILE A 97 6.251 -13.672 -4.877 1.00 0.00 C ATOM 1448 CD1 ILE A 97 4.150 -13.230 -2.979 1.00 0.00 C ATOM 0 H ILE A 97 7.456 -13.091 -1.096 1.00 0.00 H new ATOM 0 HA ILE A 97 6.314 -15.202 -2.641 1.00 0.00 H new ATOM 0 HB ILE A 97 7.476 -12.537 -3.551 1.00 0.00 H new ATOM 0 HG12 ILE A 97 5.689 -12.474 -1.709 1.00 0.00 H new ATOM 0 HG13 ILE A 97 5.408 -11.515 -3.149 1.00 0.00 H new ATOM 0 HG21 ILE A 97 5.927 -12.802 -5.448 1.00 0.00 H new ATOM 0 HG22 ILE A 97 7.107 -14.132 -5.371 1.00 0.00 H new ATOM 0 HG23 ILE A 97 5.435 -14.392 -4.819 1.00 0.00 H new ATOM 0 HD11 ILE A 97 3.369 -12.677 -2.458 1.00 0.00 H new ATOM 0 HD12 ILE A 97 3.918 -13.270 -4.043 1.00 0.00 H new ATOM 0 HD13 ILE A 97 4.204 -14.243 -2.581 1.00 0.00 H new ATOM 1460 N THR A 98 8.162 -16.111 -4.074 1.00 0.00 N ATOM 1461 CA THR A 98 9.269 -16.773 -4.751 1.00 0.00 C ATOM 1462 C THR A 98 9.452 -16.232 -6.165 1.00 0.00 C ATOM 1463 O THR A 98 8.560 -15.582 -6.711 1.00 0.00 O ATOM 1464 CB THR A 98 9.054 -18.297 -4.821 1.00 0.00 C ATOM 1465 OG1 THR A 98 8.376 -18.750 -3.644 1.00 0.00 O ATOM 1466 CG2 THR A 98 10.383 -19.025 -4.958 1.00 0.00 C ATOM 0 H THR A 98 7.249 -16.529 -4.252 1.00 0.00 H new ATOM 0 HA THR A 98 10.166 -16.566 -4.167 1.00 0.00 H new ATOM 0 HB THR A 98 8.445 -18.516 -5.698 1.00 0.00 H new ATOM 0 HG1 THR A 98 8.241 -19.719 -3.697 1.00 0.00 H new ATOM 0 HG21 THR A 98 10.206 -20.099 -5.005 1.00 0.00 H new ATOM 0 HG22 THR A 98 10.884 -18.699 -5.869 1.00 0.00 H new ATOM 0 HG23 THR A 98 11.012 -18.799 -4.097 1.00 0.00 H new ATOM 1474 N ILE A 99 10.612 -16.505 -6.752 1.00 0.00 N ATOM 1475 CA ILE A 99 10.911 -16.047 -8.103 1.00 0.00 C ATOM 1476 C ILE A 99 10.000 -16.719 -9.125 1.00 0.00 C ATOM 1477 O ILE A 99 9.679 -17.900 -9.003 1.00 0.00 O ATOM 1478 CB ILE A 99 12.378 -16.322 -8.480 1.00 0.00 C ATOM 1479 CG1 ILE A 99 13.317 -15.494 -7.600 1.00 0.00 C ATOM 1480 CG2 ILE A 99 12.614 -16.014 -9.951 1.00 0.00 C ATOM 1481 CD1 ILE A 99 14.742 -16.002 -7.592 1.00 0.00 C ATOM 0 H ILE A 99 11.360 -17.041 -6.313 1.00 0.00 H new ATOM 0 HA ILE A 99 10.738 -14.971 -8.117 1.00 0.00 H new ATOM 0 HB ILE A 99 12.589 -17.378 -8.312 1.00 0.00 H new ATOM 0 HG12 ILE A 99 13.310 -14.461 -7.947 1.00 0.00 H new ATOM 0 HG13 ILE A 99 12.936 -15.490 -6.579 1.00 0.00 H new ATOM 0 HG21 ILE A 99 13.656 -16.213 -10.202 1.00 0.00 H new ATOM 0 HG22 ILE A 99 11.967 -16.642 -10.563 1.00 0.00 H new ATOM 0 HG23 ILE A 99 12.389 -14.965 -10.144 1.00 0.00 H new ATOM 0 HD11 ILE A 99 15.351 -15.367 -6.948 1.00 0.00 H new ATOM 0 HD12 ILE A 99 14.761 -17.025 -7.217 1.00 0.00 H new ATOM 0 HD13 ILE A 99 15.142 -15.980 -8.606 1.00 0.00 H new ATOM 1493 N GLY A 100 9.589 -15.958 -10.135 1.00 0.00 N ATOM 1494 CA GLY A 100 8.721 -16.498 -11.165 1.00 0.00 C ATOM 1495 C GLY A 100 7.363 -16.901 -10.626 1.00 0.00 C ATOM 1496 O GLY A 100 6.916 -18.030 -10.830 1.00 0.00 O ATOM 0 H GLY A 100 9.842 -14.977 -10.258 1.00 0.00 H new ATOM 0 HA2 GLY A 100 8.590 -15.755 -11.952 1.00 0.00 H new ATOM 0 HA3 GLY A 100 9.199 -17.365 -11.621 1.00 0.00 H new ATOM 1500 N THR A 101 6.704 -15.977 -9.934 1.00 0.00 N ATOM 1501 CA THR A 101 5.391 -16.243 -9.361 1.00 0.00 C ATOM 1502 C THR A 101 4.336 -15.312 -9.949 1.00 0.00 C ATOM 1503 O THR A 101 4.509 -14.093 -9.966 1.00 0.00 O ATOM 1504 CB THR A 101 5.403 -16.083 -7.829 1.00 0.00 C ATOM 1505 OG1 THR A 101 6.496 -16.819 -7.269 1.00 0.00 O ATOM 1506 CG2 THR A 101 4.095 -16.570 -7.224 1.00 0.00 C ATOM 0 H THR A 101 7.059 -15.037 -9.757 1.00 0.00 H new ATOM 0 HA THR A 101 5.141 -17.275 -9.609 1.00 0.00 H new ATOM 0 HB THR A 101 5.521 -15.025 -7.597 1.00 0.00 H new ATOM 0 HG1 THR A 101 7.329 -16.322 -7.405 1.00 0.00 H new ATOM 0 HG21 THR A 101 4.127 -16.447 -6.141 1.00 0.00 H new ATOM 0 HG22 THR A 101 3.267 -15.989 -7.631 1.00 0.00 H new ATOM 0 HG23 THR A 101 3.952 -17.623 -7.466 1.00 0.00 H new ATOM 1514 N VAL A 102 3.242 -15.894 -10.430 1.00 0.00 N ATOM 1515 CA VAL A 102 2.158 -15.116 -11.017 1.00 0.00 C ATOM 1516 C VAL A 102 1.111 -14.753 -9.969 1.00 0.00 C ATOM 1517 O VAL A 102 0.340 -15.605 -9.525 1.00 0.00 O ATOM 1518 CB VAL A 102 1.474 -15.882 -12.165 1.00 0.00 C ATOM 1519 CG1 VAL A 102 0.355 -15.050 -12.771 1.00 0.00 C ATOM 1520 CG2 VAL A 102 2.493 -16.273 -13.225 1.00 0.00 C ATOM 0 H VAL A 102 3.083 -16.902 -10.425 1.00 0.00 H new ATOM 0 HA VAL A 102 2.603 -14.203 -11.413 1.00 0.00 H new ATOM 0 HB VAL A 102 1.036 -16.794 -11.760 1.00 0.00 H new ATOM 0 HG11 VAL A 102 -0.116 -15.608 -13.580 1.00 0.00 H new ATOM 0 HG12 VAL A 102 -0.387 -14.825 -12.005 1.00 0.00 H new ATOM 0 HG13 VAL A 102 0.765 -14.119 -13.163 1.00 0.00 H new ATOM 0 HG21 VAL A 102 1.993 -16.813 -14.029 1.00 0.00 H new ATOM 0 HG22 VAL A 102 2.961 -15.375 -13.628 1.00 0.00 H new ATOM 0 HG23 VAL A 102 3.256 -16.911 -12.779 1.00 0.00 H new ATOM 1530 N LEU A 103 1.089 -13.484 -9.578 1.00 0.00 N ATOM 1531 CA LEU A 103 0.137 -13.007 -8.581 1.00 0.00 C ATOM 1532 C LEU A 103 -0.797 -11.958 -9.178 1.00 0.00 C ATOM 1533 O LEU A 103 -0.427 -11.245 -10.110 1.00 0.00 O ATOM 1534 CB LEU A 103 0.877 -12.421 -7.378 1.00 0.00 C ATOM 1535 CG LEU A 103 1.775 -13.388 -6.606 1.00 0.00 C ATOM 1536 CD1 LEU A 103 1.210 -14.799 -6.660 1.00 0.00 C ATOM 1537 CD2 LEU A 103 3.192 -13.358 -7.160 1.00 0.00 C ATOM 0 H LEU A 103 1.719 -12.767 -9.936 1.00 0.00 H new ATOM 0 HA LEU A 103 -0.462 -13.856 -8.252 1.00 0.00 H new ATOM 0 HB2 LEU A 103 1.488 -11.587 -7.724 1.00 0.00 H new ATOM 0 HB3 LEU A 103 0.140 -12.012 -6.687 1.00 0.00 H new ATOM 0 HG LEU A 103 1.807 -13.070 -5.564 1.00 0.00 H new ATOM 0 HD11 LEU A 103 1.862 -15.474 -6.105 1.00 0.00 H new ATOM 0 HD12 LEU A 103 0.215 -14.810 -6.216 1.00 0.00 H new ATOM 0 HD13 LEU A 103 1.148 -15.126 -7.698 1.00 0.00 H new ATOM 0 HD21 LEU A 103 3.817 -14.052 -6.598 1.00 0.00 H new ATOM 0 HD22 LEU A 103 3.178 -13.650 -8.210 1.00 0.00 H new ATOM 0 HD23 LEU A 103 3.597 -12.350 -7.069 1.00 0.00 H new ATOM 1549 N GLN A 104 -2.006 -11.871 -8.634 1.00 0.00 N ATOM 1550 CA GLN A 104 -2.991 -10.908 -9.112 1.00 0.00 C ATOM 1551 C GLN A 104 -3.045 -9.687 -8.201 1.00 0.00 C ATOM 1552 O GLN A 104 -3.641 -9.730 -7.124 1.00 0.00 O ATOM 1553 CB GLN A 104 -4.372 -11.559 -9.195 1.00 0.00 C ATOM 1554 CG GLN A 104 -5.233 -11.018 -10.325 1.00 0.00 C ATOM 1555 CD GLN A 104 -6.627 -10.637 -9.867 1.00 0.00 C ATOM 1556 OE1 GLN A 104 -7.135 -11.169 -8.879 1.00 0.00 O ATOM 1557 NE2 GLN A 104 -7.254 -9.711 -10.582 1.00 0.00 N ATOM 0 H GLN A 104 -2.327 -12.455 -7.862 1.00 0.00 H new ATOM 0 HA GLN A 104 -2.690 -10.582 -10.108 1.00 0.00 H new ATOM 0 HB2 GLN A 104 -4.250 -12.634 -9.325 1.00 0.00 H new ATOM 0 HB3 GLN A 104 -4.893 -11.409 -8.249 1.00 0.00 H new ATOM 0 HG2 GLN A 104 -4.747 -10.145 -10.761 1.00 0.00 H new ATOM 0 HG3 GLN A 104 -5.306 -11.768 -11.112 1.00 0.00 H new ATOM 0 HE21 GLN A 104 -6.796 -9.296 -11.393 1.00 0.00 H new ATOM 0 HE22 GLN A 104 -8.194 -9.414 -10.320 1.00 0.00 H new ATOM 1566 N ILE A 105 -2.421 -8.599 -8.639 1.00 0.00 N ATOM 1567 CA ILE A 105 -2.399 -7.365 -7.863 1.00 0.00 C ATOM 1568 C ILE A 105 -3.584 -6.473 -8.216 1.00 0.00 C ATOM 1569 O ILE A 105 -3.591 -5.812 -9.255 1.00 0.00 O ATOM 1570 CB ILE A 105 -1.094 -6.580 -8.090 1.00 0.00 C ATOM 1571 CG1 ILE A 105 0.107 -7.528 -8.073 1.00 0.00 C ATOM 1572 CG2 ILE A 105 -0.936 -5.498 -7.032 1.00 0.00 C ATOM 1573 CD1 ILE A 105 0.002 -8.617 -7.029 1.00 0.00 C ATOM 0 H ILE A 105 -1.923 -8.547 -9.528 1.00 0.00 H new ATOM 0 HA ILE A 105 -2.463 -7.651 -6.813 1.00 0.00 H new ATOM 0 HB ILE A 105 -1.141 -6.101 -9.068 1.00 0.00 H new ATOM 0 HG12 ILE A 105 0.211 -7.987 -9.056 1.00 0.00 H new ATOM 0 HG13 ILE A 105 1.013 -6.950 -7.894 1.00 0.00 H new ATOM 0 HG21 ILE A 105 -0.009 -4.952 -7.206 1.00 0.00 H new ATOM 0 HG22 ILE A 105 -1.779 -4.809 -7.087 1.00 0.00 H new ATOM 0 HG23 ILE A 105 -0.907 -5.957 -6.044 1.00 0.00 H new ATOM 0 HD11 ILE A 105 0.887 -9.251 -7.074 1.00 0.00 H new ATOM 0 HD12 ILE A 105 -0.071 -8.166 -6.039 1.00 0.00 H new ATOM 0 HD13 ILE A 105 -0.886 -9.220 -7.220 1.00 0.00 H new ATOM 1585 N LYS A 106 -4.586 -6.457 -7.344 1.00 0.00 N ATOM 1586 CA LYS A 106 -5.777 -5.644 -7.560 1.00 0.00 C ATOM 1587 C LYS A 106 -5.724 -4.369 -6.725 1.00 0.00 C ATOM 1588 O LYS A 106 -5.834 -4.413 -5.500 1.00 0.00 O ATOM 1589 CB LYS A 106 -7.035 -6.442 -7.212 1.00 0.00 C ATOM 1590 CG LYS A 106 -8.188 -6.209 -8.173 1.00 0.00 C ATOM 1591 CD LYS A 106 -9.521 -6.587 -7.547 1.00 0.00 C ATOM 1592 CE LYS A 106 -10.657 -6.491 -8.554 1.00 0.00 C ATOM 1593 NZ LYS A 106 -11.303 -7.811 -8.789 1.00 0.00 N ATOM 0 H LYS A 106 -4.597 -6.999 -6.480 1.00 0.00 H new ATOM 0 HA LYS A 106 -5.810 -5.367 -8.614 1.00 0.00 H new ATOM 0 HB2 LYS A 106 -6.790 -7.504 -7.202 1.00 0.00 H new ATOM 0 HB3 LYS A 106 -7.355 -6.179 -6.204 1.00 0.00 H new ATOM 0 HG2 LYS A 106 -8.209 -5.161 -8.470 1.00 0.00 H new ATOM 0 HG3 LYS A 106 -8.032 -6.794 -9.079 1.00 0.00 H new ATOM 0 HD2 LYS A 106 -9.465 -7.603 -7.156 1.00 0.00 H new ATOM 0 HD3 LYS A 106 -9.726 -5.930 -6.702 1.00 0.00 H new ATOM 0 HE2 LYS A 106 -11.402 -5.781 -8.194 1.00 0.00 H new ATOM 0 HE3 LYS A 106 -10.274 -6.101 -9.497 1.00 0.00 H new ATOM 0 HZ1 LYS A 106 -12.072 -7.703 -9.481 1.00 0.00 H new ATOM 0 HZ2 LYS A 106 -10.598 -8.482 -9.156 1.00 0.00 H new ATOM 0 HZ3 LYS A 106 -11.691 -8.172 -7.894 1.00 0.00 H new ATOM 1607 N ALA A 107 -5.556 -3.234 -7.395 1.00 0.00 N ATOM 1608 CA ALA A 107 -5.492 -1.946 -6.715 1.00 0.00 C ATOM 1609 C ALA A 107 -6.440 -0.939 -7.356 1.00 0.00 C ATOM 1610 O ALA A 107 -6.765 -1.043 -8.539 1.00 0.00 O ATOM 1611 CB ALA A 107 -4.066 -1.414 -6.725 1.00 0.00 C ATOM 0 H ALA A 107 -5.462 -3.180 -8.409 1.00 0.00 H new ATOM 0 HA ALA A 107 -5.806 -2.093 -5.681 1.00 0.00 H new ATOM 0 HB1 ALA A 107 -4.033 -0.452 -6.214 1.00 0.00 H new ATOM 0 HB2 ALA A 107 -3.411 -2.119 -6.213 1.00 0.00 H new ATOM 0 HB3 ALA A 107 -3.731 -1.289 -7.755 1.00 0.00 H new ATOM 1617 N TYR A 108 -6.880 0.036 -6.568 1.00 0.00 N ATOM 1618 CA TYR A 108 -7.794 1.061 -7.059 1.00 0.00 C ATOM 1619 C TYR A 108 -7.025 2.244 -7.639 1.00 0.00 C ATOM 1620 O TYR A 108 -5.966 2.618 -7.134 1.00 0.00 O ATOM 1621 CB TYR A 108 -8.711 1.538 -5.931 1.00 0.00 C ATOM 1622 CG TYR A 108 -9.538 0.433 -5.315 1.00 0.00 C ATOM 1623 CD1 TYR A 108 -10.103 -0.562 -6.104 1.00 0.00 C ATOM 1624 CD2 TYR A 108 -9.754 0.382 -3.943 1.00 0.00 C ATOM 1625 CE1 TYR A 108 -10.861 -1.573 -5.545 1.00 0.00 C ATOM 1626 CE2 TYR A 108 -10.509 -0.626 -3.375 1.00 0.00 C ATOM 1627 CZ TYR A 108 -11.060 -1.601 -4.180 1.00 0.00 C ATOM 1628 OH TYR A 108 -11.812 -2.608 -3.619 1.00 0.00 O ATOM 0 H TYR A 108 -6.619 0.138 -5.587 1.00 0.00 H new ATOM 0 HA TYR A 108 -8.401 0.622 -7.851 1.00 0.00 H new ATOM 0 HB2 TYR A 108 -8.105 2.003 -5.154 1.00 0.00 H new ATOM 0 HB3 TYR A 108 -9.379 2.308 -6.318 1.00 0.00 H new ATOM 0 HD1 TYR A 108 -9.947 -0.545 -7.173 1.00 0.00 H new ATOM 0 HD2 TYR A 108 -9.324 1.144 -3.310 1.00 0.00 H new ATOM 0 HE1 TYR A 108 -11.295 -2.337 -6.173 1.00 0.00 H new ATOM 0 HE2 TYR A 108 -10.667 -0.650 -2.307 1.00 0.00 H new ATOM 0 HH TYR A 108 -11.854 -2.483 -2.648 1.00 0.00 H new ATOM 1638 N ARG A 109 -7.566 2.829 -8.702 1.00 0.00 N ATOM 1639 CA ARG A 109 -6.932 3.969 -9.352 1.00 0.00 C ATOM 1640 C ARG A 109 -7.789 5.224 -9.207 1.00 0.00 C ATOM 1641 O ARG A 109 -7.841 6.060 -10.108 1.00 0.00 O ATOM 1642 CB ARG A 109 -6.693 3.671 -10.834 1.00 0.00 C ATOM 1643 CG ARG A 109 -5.258 3.904 -11.278 1.00 0.00 C ATOM 1644 CD ARG A 109 -5.177 4.197 -12.768 1.00 0.00 C ATOM 1645 NE ARG A 109 -6.388 3.786 -13.474 1.00 0.00 N ATOM 1646 CZ ARG A 109 -6.768 4.296 -14.639 1.00 0.00 C ATOM 1647 NH1 ARG A 109 -6.036 5.232 -15.228 1.00 0.00 N ATOM 1648 NH2 ARG A 109 -7.883 3.870 -15.220 1.00 0.00 N ATOM 0 H ARG A 109 -8.442 2.532 -9.132 1.00 0.00 H new ATOM 0 HA ARG A 109 -5.973 4.146 -8.864 1.00 0.00 H new ATOM 0 HB2 ARG A 109 -6.963 2.634 -11.036 1.00 0.00 H new ATOM 0 HB3 ARG A 109 -7.356 4.295 -11.433 1.00 0.00 H new ATOM 0 HG2 ARG A 109 -4.834 4.738 -10.718 1.00 0.00 H new ATOM 0 HG3 ARG A 109 -4.657 3.025 -11.046 1.00 0.00 H new ATOM 0 HD2 ARG A 109 -5.014 5.264 -12.919 1.00 0.00 H new ATOM 0 HD3 ARG A 109 -4.317 3.680 -13.193 1.00 0.00 H new ATOM 0 HE ARG A 109 -6.974 3.068 -13.048 1.00 0.00 H new ATOM 0 HH11 ARG A 109 -5.178 5.562 -14.786 1.00 0.00 H new ATOM 0 HH12 ARG A 109 -6.331 5.622 -16.123 1.00 0.00 H new ATOM 0 HH21 ARG A 109 -8.449 3.150 -14.771 1.00 0.00 H new ATOM 0 HH22 ARG A 109 -8.174 4.263 -16.115 1.00 0.00 H new ATOM 1662 N GLY A 110 -8.460 5.347 -8.066 1.00 0.00 N ATOM 1663 CA GLY A 110 -9.305 6.502 -7.823 1.00 0.00 C ATOM 1664 C GLY A 110 -10.047 6.410 -6.505 1.00 0.00 C ATOM 1665 O GLY A 110 -11.210 6.803 -6.409 1.00 0.00 O ATOM 0 H GLY A 110 -8.434 4.668 -7.306 1.00 0.00 H new ATOM 0 HA2 GLY A 110 -8.693 7.404 -7.830 1.00 0.00 H new ATOM 0 HA3 GLY A 110 -10.025 6.599 -8.636 1.00 0.00 H new ATOM 1669 N PHE A 111 -9.374 5.889 -5.484 1.00 0.00 N ATOM 1670 CA PHE A 111 -9.978 5.744 -4.164 1.00 0.00 C ATOM 1671 C PHE A 111 -9.281 6.643 -3.147 1.00 0.00 C ATOM 1672 O PHE A 111 -9.908 7.508 -2.534 1.00 0.00 O ATOM 1673 CB PHE A 111 -9.909 4.286 -3.706 1.00 0.00 C ATOM 1674 CG PHE A 111 -10.609 4.035 -2.401 1.00 0.00 C ATOM 1675 CD1 PHE A 111 -9.937 4.185 -1.199 1.00 0.00 C ATOM 1676 CD2 PHE A 111 -11.940 3.649 -2.377 1.00 0.00 C ATOM 1677 CE1 PHE A 111 -10.579 3.953 0.003 1.00 0.00 C ATOM 1678 CE2 PHE A 111 -12.587 3.416 -1.178 1.00 0.00 C ATOM 1679 CZ PHE A 111 -11.906 3.570 0.014 1.00 0.00 C ATOM 0 H PHE A 111 -8.410 5.560 -5.545 1.00 0.00 H new ATOM 0 HA PHE A 111 -11.023 6.046 -4.234 1.00 0.00 H new ATOM 0 HB2 PHE A 111 -10.350 3.651 -4.474 1.00 0.00 H new ATOM 0 HB3 PHE A 111 -8.864 3.992 -3.611 1.00 0.00 H new ATOM 0 HD1 PHE A 111 -8.900 4.487 -1.201 1.00 0.00 H new ATOM 0 HD2 PHE A 111 -12.478 3.529 -3.306 1.00 0.00 H new ATOM 0 HE1 PHE A 111 -10.043 4.071 0.933 1.00 0.00 H new ATOM 0 HE2 PHE A 111 -13.624 3.114 -1.173 1.00 0.00 H new ATOM 0 HZ PHE A 111 -12.410 3.391 0.952 1.00 0.00 H new ATOM 1689 N LEU A 112 -7.982 6.431 -2.971 1.00 0.00 N ATOM 1690 CA LEU A 112 -7.199 7.221 -2.027 1.00 0.00 C ATOM 1691 C LEU A 112 -6.383 8.286 -2.753 1.00 0.00 C ATOM 1692 O LEU A 112 -5.546 7.971 -3.598 1.00 0.00 O ATOM 1693 CB LEU A 112 -6.269 6.313 -1.220 1.00 0.00 C ATOM 1694 CG LEU A 112 -6.303 6.496 0.298 1.00 0.00 C ATOM 1695 CD1 LEU A 112 -7.623 5.997 0.866 1.00 0.00 C ATOM 1696 CD2 LEU A 112 -5.133 5.773 0.949 1.00 0.00 C ATOM 0 H LEU A 112 -7.448 5.719 -3.469 1.00 0.00 H new ATOM 0 HA LEU A 112 -7.890 7.719 -1.348 1.00 0.00 H new ATOM 0 HB2 LEU A 112 -6.519 5.277 -1.447 1.00 0.00 H new ATOM 0 HB3 LEU A 112 -5.247 6.476 -1.563 1.00 0.00 H new ATOM 0 HG LEU A 112 -6.215 7.560 0.519 1.00 0.00 H new ATOM 0 HD11 LEU A 112 -7.629 6.135 1.947 1.00 0.00 H new ATOM 0 HD12 LEU A 112 -8.445 6.559 0.424 1.00 0.00 H new ATOM 0 HD13 LEU A 112 -7.742 4.938 0.635 1.00 0.00 H new ATOM 0 HD21 LEU A 112 -5.173 5.914 2.029 1.00 0.00 H new ATOM 0 HD22 LEU A 112 -5.190 4.709 0.720 1.00 0.00 H new ATOM 0 HD23 LEU A 112 -4.196 6.177 0.565 1.00 0.00 H new ATOM 1708 N GLU A 113 -6.633 9.548 -2.416 1.00 0.00 N ATOM 1709 CA GLU A 113 -5.921 10.659 -3.036 1.00 0.00 C ATOM 1710 C GLU A 113 -4.433 10.606 -2.700 1.00 0.00 C ATOM 1711 O GLU A 113 -4.048 10.210 -1.599 1.00 0.00 O ATOM 1712 CB GLU A 113 -6.512 11.993 -2.575 1.00 0.00 C ATOM 1713 CG GLU A 113 -7.501 12.593 -3.560 1.00 0.00 C ATOM 1714 CD GLU A 113 -8.861 11.926 -3.500 1.00 0.00 C ATOM 1715 OE1 GLU A 113 -9.437 11.849 -2.394 1.00 0.00 O ATOM 1716 OE2 GLU A 113 -9.350 11.480 -4.559 1.00 0.00 O ATOM 0 H GLU A 113 -7.323 9.826 -1.718 1.00 0.00 H new ATOM 0 HA GLU A 113 -6.035 10.573 -4.117 1.00 0.00 H new ATOM 0 HB2 GLU A 113 -7.010 11.848 -1.616 1.00 0.00 H new ATOM 0 HB3 GLU A 113 -5.701 12.702 -2.410 1.00 0.00 H new ATOM 0 HG2 GLU A 113 -7.613 13.657 -3.354 1.00 0.00 H new ATOM 0 HG3 GLU A 113 -7.101 12.504 -4.570 1.00 0.00 H new ATOM 1723 N ILE A 114 -3.602 11.008 -3.656 1.00 0.00 N ATOM 1724 CA ILE A 114 -2.158 11.007 -3.462 1.00 0.00 C ATOM 1725 C ILE A 114 -1.691 12.298 -2.799 1.00 0.00 C ATOM 1726 O ILE A 114 -2.080 13.400 -3.186 1.00 0.00 O ATOM 1727 CB ILE A 114 -1.410 10.830 -4.797 1.00 0.00 C ATOM 1728 CG1 ILE A 114 -1.403 9.357 -5.211 1.00 0.00 C ATOM 1729 CG2 ILE A 114 0.011 11.360 -4.683 1.00 0.00 C ATOM 1730 CD1 ILE A 114 -0.768 9.112 -6.562 1.00 0.00 C ATOM 0 H ILE A 114 -3.904 11.338 -4.572 1.00 0.00 H new ATOM 0 HA ILE A 114 -1.929 10.163 -2.811 1.00 0.00 H new ATOM 0 HB ILE A 114 -1.929 11.402 -5.566 1.00 0.00 H new ATOM 0 HG12 ILE A 114 -0.869 8.779 -4.457 1.00 0.00 H new ATOM 0 HG13 ILE A 114 -2.428 8.988 -5.228 1.00 0.00 H new ATOM 0 HG21 ILE A 114 0.526 11.228 -5.634 1.00 0.00 H new ATOM 0 HG22 ILE A 114 -0.015 12.420 -4.429 1.00 0.00 H new ATOM 0 HG23 ILE A 114 0.542 10.813 -3.904 1.00 0.00 H new ATOM 0 HD11 ILE A 114 -0.798 8.047 -6.790 1.00 0.00 H new ATOM 0 HD12 ILE A 114 -1.316 9.663 -7.327 1.00 0.00 H new ATOM 0 HD13 ILE A 114 0.268 9.450 -6.544 1.00 0.00 H new ATOM 1742 N PRO A 115 -0.836 12.161 -1.774 1.00 0.00 N ATOM 1743 CA PRO A 115 -0.295 13.307 -1.036 1.00 0.00 C ATOM 1744 C PRO A 115 0.683 14.126 -1.872 1.00 0.00 C ATOM 1745 O PRO A 115 1.829 13.725 -2.071 1.00 0.00 O ATOM 1746 CB PRO A 115 0.426 12.658 0.148 1.00 0.00 C ATOM 1747 CG PRO A 115 0.776 11.289 -0.326 1.00 0.00 C ATOM 1748 CD PRO A 115 -0.330 10.878 -1.258 1.00 0.00 C ATOM 0 HA PRO A 115 -1.076 14.009 -0.744 1.00 0.00 H new ATOM 0 HB2 PRO A 115 1.317 13.221 0.426 1.00 0.00 H new ATOM 0 HB3 PRO A 115 -0.214 12.620 1.029 1.00 0.00 H new ATOM 0 HG2 PRO A 115 1.738 11.287 -0.838 1.00 0.00 H new ATOM 0 HG3 PRO A 115 0.859 10.596 0.511 1.00 0.00 H new ATOM 0 HD2 PRO A 115 0.038 10.239 -2.061 1.00 0.00 H new ATOM 0 HD3 PRO A 115 -1.108 10.320 -0.737 1.00 0.00 H new