USER MOD reduce.3.24.130724 H: found=0, std=0, add=712, rem=0, adj=14 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 Single : A 30 GLN : amide:sc= 0 X(o=0,f=-0.11) USER MOD Single : A 31 THR OG1 : rot -141:sc= 0.241 USER MOD Single : A 32 LYS NZ :NH3+ 168:sc= -0.0328 (180deg=-0.207) USER MOD Single : A 34 THR OG1 : rot 180:sc= 0 USER MOD Single : A 37 ASN : amide:sc= -0.443 X(o=-0.44,f=-0.21) USER MOD Single : A 46 GLN : amide:sc= -0.0926 K(o=-0.093,f=-1.6) USER MOD Single : A 47 ASN : amide:sc= -0.011 X(o=-0.011,f=-0.27) USER MOD Single : A 50 TYR OH : rot 180:sc= 0 USER MOD Single : A 52 GLN : amide:sc= -0.297 K(o=-0.3,f=-2.7!) USER MOD Single : A 54 SER OG : rot 180:sc= 0 USER MOD Single : A 55 HIS :FLIP no HD1:sc= -7.05! C(o=-7.8!,f=-7!) USER MOD Single : A 58 ASN : amide:sc= 0 X(o=0,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= -0.0788 X(o=-0.079,f=0) USER MOD Single : A 76 SER OG : rot -90:sc= -0.427 USER MOD Single : A 79 HIS : no HD1:sc= 0 X(o=0,f=-0.0092) USER MOD Single : A 81 ASN :FLIP amide:sc= -3.14! C(o=-3.9!,f=-3.1!) USER MOD Single : A 85 TYR OH : rot 180:sc= 0 USER MOD Single : A 86 THR OG1 : rot 180:sc= -0.0107 USER MOD Single : A 92 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 95 GLN : amide:sc= -0.0908 X(o=-0.091,f=-0.51) USER MOD Single : A 96 ASN : amide:sc= 0.107 K(o=0.11,f=-0.97) USER MOD Single : A 98 THR OG1 : rot 180:sc= 0.00639 USER MOD Single : A 101 THR OG1 : rot 114:sc= 1.11 USER MOD Single : A 104 GLN : amide:sc= -1.73 K(o=-1.7,f=-2.9!) USER MOD Single : A 106 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 108 TYR OH : rot 180:sc= 0 USER MOD ----------------------------------------------------------------- ATOM 380 N VAL A 28 -11.369 -0.170 -11.502 1.00 0.00 N ATOM 381 CA VAL A 28 -10.480 -1.068 -10.775 1.00 0.00 C ATOM 382 C VAL A 28 -9.337 -1.548 -11.662 1.00 0.00 C ATOM 383 O VAL A 28 -9.522 -1.783 -12.857 1.00 0.00 O ATOM 384 CB VAL A 28 -11.241 -2.292 -10.230 1.00 0.00 C ATOM 385 CG1 VAL A 28 -10.286 -3.248 -9.532 1.00 0.00 C ATOM 386 CG2 VAL A 28 -12.352 -1.852 -9.289 1.00 0.00 C ATOM 0 HA VAL A 28 -10.073 -0.500 -9.938 1.00 0.00 H new ATOM 0 HB VAL A 28 -11.695 -2.819 -11.069 1.00 0.00 H new ATOM 0 HG11 VAL A 28 -10.842 -4.106 -9.154 1.00 0.00 H new ATOM 0 HG12 VAL A 28 -9.530 -3.589 -10.240 1.00 0.00 H new ATOM 0 HG13 VAL A 28 -9.801 -2.736 -8.701 1.00 0.00 H new ATOM 0 HG21 VAL A 28 -12.879 -2.729 -8.913 1.00 0.00 H new ATOM 0 HG22 VAL A 28 -11.923 -1.300 -8.452 1.00 0.00 H new ATOM 0 HG23 VAL A 28 -13.051 -1.211 -9.826 1.00 0.00 H new ATOM 396 N ILE A 29 -8.156 -1.692 -11.070 1.00 0.00 N ATOM 397 CA ILE A 29 -6.983 -2.146 -11.807 1.00 0.00 C ATOM 398 C ILE A 29 -6.524 -3.516 -11.320 1.00 0.00 C ATOM 399 O ILE A 29 -6.545 -3.798 -10.122 1.00 0.00 O ATOM 400 CB ILE A 29 -5.816 -1.149 -11.677 1.00 0.00 C ATOM 401 CG1 ILE A 29 -6.248 0.240 -12.151 1.00 0.00 C ATOM 402 CG2 ILE A 29 -4.613 -1.636 -12.470 1.00 0.00 C ATOM 403 CD1 ILE A 29 -6.225 0.399 -13.655 1.00 0.00 C ATOM 0 H ILE A 29 -7.986 -1.501 -10.083 1.00 0.00 H new ATOM 0 HA ILE A 29 -7.276 -2.215 -12.855 1.00 0.00 H new ATOM 0 HB ILE A 29 -5.531 -1.081 -10.627 1.00 0.00 H new ATOM 0 HG12 ILE A 29 -7.256 0.442 -11.788 1.00 0.00 H new ATOM 0 HG13 ILE A 29 -5.592 0.988 -11.705 1.00 0.00 H new ATOM 0 HG21 ILE A 29 -3.797 -0.921 -12.368 1.00 0.00 H new ATOM 0 HG22 ILE A 29 -4.295 -2.607 -12.089 1.00 0.00 H new ATOM 0 HG23 ILE A 29 -4.884 -1.730 -13.522 1.00 0.00 H new ATOM 0 HD11 ILE A 29 -6.543 1.408 -13.919 1.00 0.00 H new ATOM 0 HD12 ILE A 29 -5.213 0.229 -14.023 1.00 0.00 H new ATOM 0 HD13 ILE A 29 -6.902 -0.325 -14.108 1.00 0.00 H new ATOM 415 N GLN A 30 -6.109 -4.362 -12.257 1.00 0.00 N ATOM 416 CA GLN A 30 -5.643 -5.703 -11.922 1.00 0.00 C ATOM 417 C GLN A 30 -4.706 -6.239 -13.000 1.00 0.00 C ATOM 418 O GLN A 30 -5.090 -6.370 -14.163 1.00 0.00 O ATOM 419 CB GLN A 30 -6.832 -6.650 -11.747 1.00 0.00 C ATOM 420 CG GLN A 30 -7.890 -6.504 -12.828 1.00 0.00 C ATOM 421 CD GLN A 30 -8.903 -7.632 -12.809 1.00 0.00 C ATOM 422 OE1 GLN A 30 -8.661 -8.708 -13.355 1.00 0.00 O ATOM 423 NE2 GLN A 30 -10.046 -7.391 -12.177 1.00 0.00 N ATOM 0 H GLN A 30 -6.086 -4.143 -13.253 1.00 0.00 H new ATOM 0 HA GLN A 30 -5.092 -5.645 -10.983 1.00 0.00 H new ATOM 0 HB2 GLN A 30 -6.469 -7.678 -11.742 1.00 0.00 H new ATOM 0 HB3 GLN A 30 -7.290 -6.469 -10.775 1.00 0.00 H new ATOM 0 HG2 GLN A 30 -8.408 -5.554 -12.698 1.00 0.00 H new ATOM 0 HG3 GLN A 30 -7.405 -6.472 -13.804 1.00 0.00 H new ATOM 0 HE21 GLN A 30 -10.205 -6.484 -11.738 1.00 0.00 H new ATOM 0 HE22 GLN A 30 -10.765 -8.113 -12.131 1.00 0.00 H new ATOM 432 N THR A 31 -3.474 -6.546 -12.607 1.00 0.00 N ATOM 433 CA THR A 31 -2.481 -7.066 -13.539 1.00 0.00 C ATOM 434 C THR A 31 -1.580 -8.094 -12.865 1.00 0.00 C ATOM 435 O THR A 31 -1.381 -8.060 -11.650 1.00 0.00 O ATOM 436 CB THR A 31 -1.609 -5.936 -14.118 1.00 0.00 C ATOM 437 OG1 THR A 31 -0.949 -6.388 -15.306 1.00 0.00 O ATOM 438 CG2 THR A 31 -0.576 -5.475 -13.102 1.00 0.00 C ATOM 0 H THR A 31 -3.140 -6.443 -11.649 1.00 0.00 H new ATOM 0 HA THR A 31 -3.029 -7.544 -14.351 1.00 0.00 H new ATOM 0 HB THR A 31 -2.257 -5.094 -14.360 1.00 0.00 H new ATOM 0 HG1 THR A 31 -0.039 -6.026 -15.332 1.00 0.00 H new ATOM 0 HG21 THR A 31 0.028 -4.677 -13.534 1.00 0.00 H new ATOM 0 HG22 THR A 31 -1.082 -5.105 -12.210 1.00 0.00 H new ATOM 0 HG23 THR A 31 0.068 -6.312 -12.833 1.00 0.00 H new ATOM 446 N LYS A 32 -1.035 -9.008 -13.661 1.00 0.00 N ATOM 447 CA LYS A 32 -0.152 -10.046 -13.143 1.00 0.00 C ATOM 448 C LYS A 32 1.312 -9.669 -13.351 1.00 0.00 C ATOM 449 O LYS A 32 1.774 -9.538 -14.485 1.00 0.00 O ATOM 450 CB LYS A 32 -0.447 -11.383 -13.825 1.00 0.00 C ATOM 451 CG LYS A 32 -1.539 -12.187 -13.141 1.00 0.00 C ATOM 452 CD LYS A 32 -2.825 -11.387 -13.015 1.00 0.00 C ATOM 453 CE LYS A 32 -3.343 -10.947 -14.376 1.00 0.00 C ATOM 454 NZ LYS A 32 -3.564 -12.106 -15.286 1.00 0.00 N ATOM 0 H LYS A 32 -1.190 -9.051 -14.668 1.00 0.00 H new ATOM 0 HA LYS A 32 -0.336 -10.143 -12.073 1.00 0.00 H new ATOM 0 HB2 LYS A 32 -0.738 -11.197 -14.859 1.00 0.00 H new ATOM 0 HB3 LYS A 32 0.467 -11.977 -13.852 1.00 0.00 H new ATOM 0 HG2 LYS A 32 -1.730 -13.098 -13.708 1.00 0.00 H new ATOM 0 HG3 LYS A 32 -1.201 -12.493 -12.151 1.00 0.00 H new ATOM 0 HD2 LYS A 32 -3.582 -11.990 -12.514 1.00 0.00 H new ATOM 0 HD3 LYS A 32 -2.650 -10.511 -12.390 1.00 0.00 H new ATOM 0 HE2 LYS A 32 -4.278 -10.401 -14.250 1.00 0.00 H new ATOM 0 HE3 LYS A 32 -2.631 -10.259 -14.831 1.00 0.00 H new ATOM 0 HZ1 LYS A 32 -4.102 -11.795 -16.120 1.00 0.00 H new ATOM 0 HZ2 LYS A 32 -2.646 -12.489 -15.589 1.00 0.00 H new ATOM 0 HZ3 LYS A 32 -4.099 -12.844 -14.785 1.00 0.00 H new ATOM 468 N LEU A 33 2.036 -9.498 -12.250 1.00 0.00 N ATOM 469 CA LEU A 33 3.448 -9.137 -12.313 1.00 0.00 C ATOM 470 C LEU A 33 4.332 -10.375 -12.187 1.00 0.00 C ATOM 471 O LEU A 33 3.977 -11.339 -11.508 1.00 0.00 O ATOM 472 CB LEU A 33 3.789 -8.139 -11.205 1.00 0.00 C ATOM 473 CG LEU A 33 2.829 -6.959 -11.046 1.00 0.00 C ATOM 474 CD1 LEU A 33 2.921 -6.382 -9.642 1.00 0.00 C ATOM 475 CD2 LEU A 33 3.124 -5.888 -12.085 1.00 0.00 C ATOM 0 H LEU A 33 1.669 -9.603 -11.304 1.00 0.00 H new ATOM 0 HA LEU A 33 3.637 -8.674 -13.282 1.00 0.00 H new ATOM 0 HB2 LEU A 33 3.831 -8.678 -10.258 1.00 0.00 H new ATOM 0 HB3 LEU A 33 4.788 -7.746 -11.392 1.00 0.00 H new ATOM 0 HG LEU A 33 1.812 -7.319 -11.203 1.00 0.00 H new ATOM 0 HD11 LEU A 33 2.231 -5.543 -9.547 1.00 0.00 H new ATOM 0 HD12 LEU A 33 2.660 -7.151 -8.915 1.00 0.00 H new ATOM 0 HD13 LEU A 33 3.938 -6.038 -9.456 1.00 0.00 H new ATOM 0 HD21 LEU A 33 2.431 -5.056 -11.957 1.00 0.00 H new ATOM 0 HD22 LEU A 33 4.146 -5.531 -11.960 1.00 0.00 H new ATOM 0 HD23 LEU A 33 3.006 -6.308 -13.084 1.00 0.00 H new ATOM 487 N THR A 34 5.486 -10.340 -12.846 1.00 0.00 N ATOM 488 CA THR A 34 6.421 -11.457 -12.807 1.00 0.00 C ATOM 489 C THR A 34 7.475 -11.255 -11.724 1.00 0.00 C ATOM 490 O THR A 34 8.506 -10.623 -11.957 1.00 0.00 O ATOM 491 CB THR A 34 7.126 -11.647 -14.164 1.00 0.00 C ATOM 492 OG1 THR A 34 6.173 -12.033 -15.161 1.00 0.00 O ATOM 493 CG2 THR A 34 8.218 -12.701 -14.064 1.00 0.00 C ATOM 0 H THR A 34 5.795 -9.550 -13.413 1.00 0.00 H new ATOM 0 HA THR A 34 5.838 -12.349 -12.580 1.00 0.00 H new ATOM 0 HB THR A 34 7.584 -10.699 -14.447 1.00 0.00 H new ATOM 0 HG1 THR A 34 6.628 -12.150 -16.021 1.00 0.00 H new ATOM 0 HG21 THR A 34 8.701 -12.817 -15.034 1.00 0.00 H new ATOM 0 HG22 THR A 34 8.957 -12.390 -13.325 1.00 0.00 H new ATOM 0 HG23 THR A 34 7.779 -13.652 -13.761 1.00 0.00 H new ATOM 501 N VAL A 35 7.211 -11.797 -10.540 1.00 0.00 N ATOM 502 CA VAL A 35 8.138 -11.678 -9.421 1.00 0.00 C ATOM 503 C VAL A 35 9.575 -11.916 -9.870 1.00 0.00 C ATOM 504 O VAL A 35 9.884 -12.937 -10.483 1.00 0.00 O ATOM 505 CB VAL A 35 7.792 -12.673 -8.297 1.00 0.00 C ATOM 506 CG1 VAL A 35 8.905 -12.718 -7.262 1.00 0.00 C ATOM 507 CG2 VAL A 35 6.465 -12.303 -7.649 1.00 0.00 C ATOM 0 H VAL A 35 6.363 -12.323 -10.331 1.00 0.00 H new ATOM 0 HA VAL A 35 8.043 -10.662 -9.039 1.00 0.00 H new ATOM 0 HB VAL A 35 7.694 -13.667 -8.733 1.00 0.00 H new ATOM 0 HG11 VAL A 35 8.643 -13.426 -6.476 1.00 0.00 H new ATOM 0 HG12 VAL A 35 9.833 -13.033 -7.739 1.00 0.00 H new ATOM 0 HG13 VAL A 35 9.038 -11.727 -6.828 1.00 0.00 H new ATOM 0 HG21 VAL A 35 6.235 -13.016 -6.857 1.00 0.00 H new ATOM 0 HG22 VAL A 35 6.534 -11.301 -7.226 1.00 0.00 H new ATOM 0 HG23 VAL A 35 5.675 -12.327 -8.399 1.00 0.00 H new ATOM 517 N GLY A 36 10.452 -10.966 -9.560 1.00 0.00 N ATOM 518 CA GLY A 36 11.847 -11.091 -9.939 1.00 0.00 C ATOM 519 C GLY A 36 12.698 -11.681 -8.832 1.00 0.00 C ATOM 520 O GLY A 36 12.205 -11.949 -7.737 1.00 0.00 O ATOM 0 H GLY A 36 10.221 -10.112 -9.053 1.00 0.00 H new ATOM 0 HA2 GLY A 36 11.924 -11.719 -10.826 1.00 0.00 H new ATOM 0 HA3 GLY A 36 12.236 -10.109 -10.208 1.00 0.00 H new ATOM 524 N ASN A 37 13.979 -11.887 -9.118 1.00 0.00 N ATOM 525 CA ASN A 37 14.900 -12.452 -8.139 1.00 0.00 C ATOM 526 C ASN A 37 14.751 -11.758 -6.788 1.00 0.00 C ATOM 527 O ASN A 37 14.611 -12.413 -5.754 1.00 0.00 O ATOM 528 CB ASN A 37 16.343 -12.325 -8.632 1.00 0.00 C ATOM 529 CG ASN A 37 16.497 -12.741 -10.083 1.00 0.00 C ATOM 530 OD1 ASN A 37 16.615 -13.927 -10.391 1.00 0.00 O ATOM 531 ND2 ASN A 37 16.495 -11.763 -10.982 1.00 0.00 N ATOM 0 H ASN A 37 14.403 -11.671 -10.020 1.00 0.00 H new ATOM 0 HA ASN A 37 14.656 -13.507 -8.015 1.00 0.00 H new ATOM 0 HB2 ASN A 37 16.674 -11.293 -8.516 1.00 0.00 H new ATOM 0 HB3 ASN A 37 16.992 -12.941 -8.009 1.00 0.00 H new ATOM 0 HD21 ASN A 37 16.594 -11.981 -11.973 1.00 0.00 H new ATOM 0 HD22 ASN A 37 16.394 -10.794 -10.681 1.00 0.00 H new ATOM 538 N LEU A 38 14.780 -10.430 -6.805 1.00 0.00 N ATOM 539 CA LEU A 38 14.647 -9.647 -5.581 1.00 0.00 C ATOM 540 C LEU A 38 13.179 -9.444 -5.222 1.00 0.00 C ATOM 541 O LEU A 38 12.856 -8.950 -4.142 1.00 0.00 O ATOM 542 CB LEU A 38 15.335 -8.290 -5.744 1.00 0.00 C ATOM 543 CG LEU A 38 16.464 -8.229 -6.774 1.00 0.00 C ATOM 544 CD1 LEU A 38 16.052 -7.379 -7.966 1.00 0.00 C ATOM 545 CD2 LEU A 38 17.735 -7.684 -6.141 1.00 0.00 C ATOM 0 H LEU A 38 14.894 -9.873 -7.652 1.00 0.00 H new ATOM 0 HA LEU A 38 15.128 -10.198 -4.772 1.00 0.00 H new ATOM 0 HB2 LEU A 38 14.580 -7.553 -6.018 1.00 0.00 H new ATOM 0 HB3 LEU A 38 15.737 -7.990 -4.776 1.00 0.00 H new ATOM 0 HG LEU A 38 16.664 -9.241 -7.127 1.00 0.00 H new ATOM 0 HD11 LEU A 38 16.867 -7.347 -8.689 1.00 0.00 H new ATOM 0 HD12 LEU A 38 15.169 -7.813 -8.434 1.00 0.00 H new ATOM 0 HD13 LEU A 38 15.824 -6.367 -7.630 1.00 0.00 H new ATOM 0 HD21 LEU A 38 18.527 -7.648 -6.889 1.00 0.00 H new ATOM 0 HD22 LEU A 38 17.550 -6.680 -5.760 1.00 0.00 H new ATOM 0 HD23 LEU A 38 18.040 -8.333 -5.320 1.00 0.00 H new ATOM 557 N GLY A 39 12.292 -9.833 -6.133 1.00 0.00 N ATOM 558 CA GLY A 39 10.868 -9.688 -5.892 1.00 0.00 C ATOM 559 C GLY A 39 10.427 -8.238 -5.877 1.00 0.00 C ATOM 560 O GLY A 39 11.180 -7.356 -5.462 1.00 0.00 O ATOM 0 H GLY A 39 12.534 -10.246 -7.034 1.00 0.00 H new ATOM 0 HA2 GLY A 39 10.316 -10.224 -6.663 1.00 0.00 H new ATOM 0 HA3 GLY A 39 10.615 -10.151 -4.938 1.00 0.00 H new ATOM 564 N LEU A 40 9.205 -7.988 -6.333 1.00 0.00 N ATOM 565 CA LEU A 40 8.665 -6.633 -6.372 1.00 0.00 C ATOM 566 C LEU A 40 8.930 -5.903 -5.060 1.00 0.00 C ATOM 567 O LEU A 40 8.240 -6.122 -4.065 1.00 0.00 O ATOM 568 CB LEU A 40 7.161 -6.671 -6.653 1.00 0.00 C ATOM 569 CG LEU A 40 6.412 -7.899 -6.136 1.00 0.00 C ATOM 570 CD1 LEU A 40 5.064 -7.497 -5.557 1.00 0.00 C ATOM 571 CD2 LEU A 40 6.234 -8.922 -7.248 1.00 0.00 C ATOM 0 H LEU A 40 8.569 -8.705 -6.681 1.00 0.00 H new ATOM 0 HA LEU A 40 9.166 -6.092 -7.175 1.00 0.00 H new ATOM 0 HB2 LEU A 40 6.707 -5.782 -6.214 1.00 0.00 H new ATOM 0 HB3 LEU A 40 7.011 -6.606 -7.731 1.00 0.00 H new ATOM 0 HG LEU A 40 7.004 -8.355 -5.342 1.00 0.00 H new ATOM 0 HD11 LEU A 40 4.545 -8.384 -5.194 1.00 0.00 H new ATOM 0 HD12 LEU A 40 5.215 -6.802 -4.731 1.00 0.00 H new ATOM 0 HD13 LEU A 40 4.464 -7.017 -6.330 1.00 0.00 H new ATOM 0 HD21 LEU A 40 5.699 -9.790 -6.862 1.00 0.00 H new ATOM 0 HD22 LEU A 40 5.664 -8.477 -8.064 1.00 0.00 H new ATOM 0 HD23 LEU A 40 7.212 -9.233 -7.616 1.00 0.00 H new ATOM 583 N GLY A 41 9.935 -5.033 -5.066 1.00 0.00 N ATOM 584 CA GLY A 41 10.273 -4.282 -3.871 1.00 0.00 C ATOM 585 C GLY A 41 9.613 -2.918 -3.837 1.00 0.00 C ATOM 586 O GLY A 41 10.040 -2.031 -3.097 1.00 0.00 O ATOM 0 H GLY A 41 10.521 -4.835 -5.877 1.00 0.00 H new ATOM 0 HA2 GLY A 41 9.971 -4.850 -2.991 1.00 0.00 H new ATOM 0 HA3 GLY A 41 11.355 -4.160 -3.816 1.00 0.00 H new ATOM 590 N LEU A 42 8.569 -2.748 -4.641 1.00 0.00 N ATOM 591 CA LEU A 42 7.849 -1.481 -4.702 1.00 0.00 C ATOM 592 C LEU A 42 8.000 -0.705 -3.397 1.00 0.00 C ATOM 593 O LEU A 42 7.790 -1.248 -2.312 1.00 0.00 O ATOM 594 CB LEU A 42 6.368 -1.727 -4.994 1.00 0.00 C ATOM 595 CG LEU A 42 5.806 -3.071 -4.529 1.00 0.00 C ATOM 596 CD1 LEU A 42 5.106 -2.922 -3.188 1.00 0.00 C ATOM 597 CD2 LEU A 42 4.853 -3.640 -5.570 1.00 0.00 C ATOM 0 H LEU A 42 8.202 -3.472 -5.259 1.00 0.00 H new ATOM 0 HA LEU A 42 8.278 -0.886 -5.508 1.00 0.00 H new ATOM 0 HB2 LEU A 42 5.789 -0.932 -4.525 1.00 0.00 H new ATOM 0 HB3 LEU A 42 6.212 -1.643 -6.069 1.00 0.00 H new ATOM 0 HG LEU A 42 6.636 -3.767 -4.407 1.00 0.00 H new ATOM 0 HD11 LEU A 42 4.713 -3.889 -2.873 1.00 0.00 H new ATOM 0 HD12 LEU A 42 5.817 -2.560 -2.445 1.00 0.00 H new ATOM 0 HD13 LEU A 42 4.286 -2.210 -3.283 1.00 0.00 H new ATOM 0 HD21 LEU A 42 4.463 -4.596 -5.222 1.00 0.00 H new ATOM 0 HD22 LEU A 42 4.027 -2.946 -5.725 1.00 0.00 H new ATOM 0 HD23 LEU A 42 5.386 -3.786 -6.510 1.00 0.00 H new ATOM 609 N VAL A 43 8.363 0.569 -3.510 1.00 0.00 N ATOM 610 CA VAL A 43 8.538 1.420 -2.340 1.00 0.00 C ATOM 611 C VAL A 43 7.210 2.021 -1.894 1.00 0.00 C ATOM 612 O VAL A 43 6.904 3.174 -2.199 1.00 0.00 O ATOM 613 CB VAL A 43 9.536 2.559 -2.620 1.00 0.00 C ATOM 614 CG1 VAL A 43 9.486 3.598 -1.509 1.00 0.00 C ATOM 615 CG2 VAL A 43 10.944 2.006 -2.780 1.00 0.00 C ATOM 0 H VAL A 43 8.541 1.034 -4.400 1.00 0.00 H new ATOM 0 HA VAL A 43 8.933 0.788 -1.544 1.00 0.00 H new ATOM 0 HB VAL A 43 9.253 3.046 -3.553 1.00 0.00 H new ATOM 0 HG11 VAL A 43 10.198 4.395 -1.724 1.00 0.00 H new ATOM 0 HG12 VAL A 43 8.481 4.016 -1.447 1.00 0.00 H new ATOM 0 HG13 VAL A 43 9.743 3.128 -0.560 1.00 0.00 H new ATOM 0 HG21 VAL A 43 11.636 2.825 -2.977 1.00 0.00 H new ATOM 0 HG22 VAL A 43 11.240 1.493 -1.865 1.00 0.00 H new ATOM 0 HG23 VAL A 43 10.966 1.303 -3.613 1.00 0.00 H new ATOM 625 N VAL A 44 6.423 1.232 -1.169 1.00 0.00 N ATOM 626 CA VAL A 44 5.128 1.686 -0.678 1.00 0.00 C ATOM 627 C VAL A 44 5.282 2.528 0.584 1.00 0.00 C ATOM 628 O VAL A 44 6.380 2.652 1.128 1.00 0.00 O ATOM 629 CB VAL A 44 4.193 0.499 -0.379 1.00 0.00 C ATOM 630 CG1 VAL A 44 2.741 0.895 -0.598 1.00 0.00 C ATOM 631 CG2 VAL A 44 4.563 -0.699 -1.240 1.00 0.00 C ATOM 0 H VAL A 44 6.660 0.275 -0.909 1.00 0.00 H new ATOM 0 HA VAL A 44 4.688 2.296 -1.467 1.00 0.00 H new ATOM 0 HB VAL A 44 4.314 0.217 0.667 1.00 0.00 H new ATOM 0 HG11 VAL A 44 2.095 0.044 -0.382 1.00 0.00 H new ATOM 0 HG12 VAL A 44 2.485 1.722 0.065 1.00 0.00 H new ATOM 0 HG13 VAL A 44 2.600 1.203 -1.634 1.00 0.00 H new ATOM 0 HG21 VAL A 44 3.893 -1.529 -1.016 1.00 0.00 H new ATOM 0 HG22 VAL A 44 4.472 -0.432 -2.293 1.00 0.00 H new ATOM 0 HG23 VAL A 44 5.590 -0.995 -1.029 1.00 0.00 H new ATOM 641 N ILE A 45 4.176 3.103 1.044 1.00 0.00 N ATOM 642 CA ILE A 45 4.189 3.931 2.243 1.00 0.00 C ATOM 643 C ILE A 45 2.962 3.663 3.109 1.00 0.00 C ATOM 644 O ILE A 45 1.935 3.196 2.619 1.00 0.00 O ATOM 645 CB ILE A 45 4.238 5.430 1.892 1.00 0.00 C ATOM 646 CG1 ILE A 45 3.176 5.765 0.843 1.00 0.00 C ATOM 647 CG2 ILE A 45 5.623 5.811 1.392 1.00 0.00 C ATOM 648 CD1 ILE A 45 2.409 7.034 1.143 1.00 0.00 C ATOM 0 H ILE A 45 3.260 3.011 0.605 1.00 0.00 H new ATOM 0 HA ILE A 45 5.089 3.667 2.799 1.00 0.00 H new ATOM 0 HB ILE A 45 4.027 6.007 2.792 1.00 0.00 H new ATOM 0 HG12 ILE A 45 3.657 5.862 -0.131 1.00 0.00 H new ATOM 0 HG13 ILE A 45 2.474 4.934 0.770 1.00 0.00 H new ATOM 0 HG21 ILE A 45 5.642 6.873 1.148 1.00 0.00 H new ATOM 0 HG22 ILE A 45 6.360 5.604 2.168 1.00 0.00 H new ATOM 0 HG23 ILE A 45 5.861 5.230 0.501 1.00 0.00 H new ATOM 0 HD11 ILE A 45 1.674 7.209 0.358 1.00 0.00 H new ATOM 0 HD12 ILE A 45 1.900 6.933 2.101 1.00 0.00 H new ATOM 0 HD13 ILE A 45 3.101 7.875 1.186 1.00 0.00 H new ATOM 660 N GLN A 46 3.078 3.964 4.399 1.00 0.00 N ATOM 661 CA GLN A 46 1.978 3.756 5.333 1.00 0.00 C ATOM 662 C GLN A 46 1.027 4.949 5.327 1.00 0.00 C ATOM 663 O GLN A 46 1.188 5.887 6.107 1.00 0.00 O ATOM 664 CB GLN A 46 2.517 3.525 6.745 1.00 0.00 C ATOM 665 CG GLN A 46 1.647 2.604 7.585 1.00 0.00 C ATOM 666 CD GLN A 46 0.234 3.127 7.752 1.00 0.00 C ATOM 667 OE1 GLN A 46 0.026 4.304 8.048 1.00 0.00 O ATOM 668 NE2 GLN A 46 -0.748 2.253 7.562 1.00 0.00 N ATOM 0 H GLN A 46 3.922 4.352 4.820 1.00 0.00 H new ATOM 0 HA GLN A 46 1.425 2.872 5.014 1.00 0.00 H new ATOM 0 HB2 GLN A 46 3.520 3.103 6.678 1.00 0.00 H new ATOM 0 HB3 GLN A 46 2.609 4.486 7.251 1.00 0.00 H new ATOM 0 HG2 GLN A 46 1.613 1.619 7.120 1.00 0.00 H new ATOM 0 HG3 GLN A 46 2.102 2.477 8.567 1.00 0.00 H new ATOM 0 HE21 GLN A 46 -0.531 1.287 7.318 1.00 0.00 H new ATOM 0 HE22 GLN A 46 -1.719 2.548 7.660 1.00 0.00 H new ATOM 677 N ASN A 47 0.036 4.905 4.443 1.00 0.00 N ATOM 678 CA ASN A 47 -0.941 5.983 4.335 1.00 0.00 C ATOM 679 C ASN A 47 -2.350 5.471 4.618 1.00 0.00 C ATOM 680 O ASN A 47 -3.072 5.073 3.706 1.00 0.00 O ATOM 681 CB ASN A 47 -0.885 6.613 2.942 1.00 0.00 C ATOM 682 CG ASN A 47 -1.376 8.048 2.935 1.00 0.00 C ATOM 683 OD1 ASN A 47 -0.934 8.870 3.738 1.00 0.00 O ATOM 684 ND2 ASN A 47 -2.295 8.354 2.027 1.00 0.00 N ATOM 0 H ASN A 47 -0.112 4.135 3.791 1.00 0.00 H new ATOM 0 HA ASN A 47 -0.693 6.740 5.079 1.00 0.00 H new ATOM 0 HB2 ASN A 47 0.140 6.581 2.573 1.00 0.00 H new ATOM 0 HB3 ASN A 47 -1.490 6.022 2.254 1.00 0.00 H new ATOM 0 HD21 ASN A 47 -2.664 9.303 1.975 1.00 0.00 H new ATOM 0 HD22 ASN A 47 -2.632 7.640 1.382 1.00 0.00 H new ATOM 691 N GLY A 48 -2.734 5.486 5.891 1.00 0.00 N ATOM 692 CA GLY A 48 -4.055 5.021 6.273 1.00 0.00 C ATOM 693 C GLY A 48 -4.127 3.511 6.388 1.00 0.00 C ATOM 694 O GLY A 48 -3.111 2.816 6.368 1.00 0.00 O ATOM 0 H GLY A 48 -2.154 5.812 6.664 1.00 0.00 H new ATOM 0 HA2 GLY A 48 -4.333 5.469 7.227 1.00 0.00 H new ATOM 0 HA3 GLY A 48 -4.784 5.361 5.537 1.00 0.00 H new ATOM 698 N PRO A 49 -5.353 2.982 6.514 1.00 0.00 N ATOM 699 CA PRO A 49 -5.584 1.539 6.638 1.00 0.00 C ATOM 700 C PRO A 49 -5.288 0.792 5.342 1.00 0.00 C ATOM 701 O PRO A 49 -5.484 -0.420 5.254 1.00 0.00 O ATOM 702 CB PRO A 49 -7.073 1.446 6.981 1.00 0.00 C ATOM 703 CG PRO A 49 -7.669 2.691 6.421 1.00 0.00 C ATOM 704 CD PRO A 49 -6.609 3.750 6.546 1.00 0.00 C ATOM 0 HA PRO A 49 -4.932 1.084 7.384 1.00 0.00 H new ATOM 0 HB2 PRO A 49 -7.526 0.558 6.541 1.00 0.00 H new ATOM 0 HB3 PRO A 49 -7.228 1.383 8.058 1.00 0.00 H new ATOM 0 HG2 PRO A 49 -7.959 2.551 5.380 1.00 0.00 H new ATOM 0 HG3 PRO A 49 -8.569 2.973 6.968 1.00 0.00 H new ATOM 0 HD2 PRO A 49 -6.661 4.469 5.728 1.00 0.00 H new ATOM 0 HD3 PRO A 49 -6.712 4.314 7.473 1.00 0.00 H new ATOM 712 N TYR A 50 -4.815 1.523 4.338 1.00 0.00 N ATOM 713 CA TYR A 50 -4.494 0.929 3.046 1.00 0.00 C ATOM 714 C TYR A 50 -3.076 1.294 2.616 1.00 0.00 C ATOM 715 O TYR A 50 -2.584 2.382 2.918 1.00 0.00 O ATOM 716 CB TYR A 50 -5.495 1.391 1.986 1.00 0.00 C ATOM 717 CG TYR A 50 -6.925 1.418 2.475 1.00 0.00 C ATOM 718 CD1 TYR A 50 -7.623 0.240 2.709 1.00 0.00 C ATOM 719 CD2 TYR A 50 -7.579 2.623 2.704 1.00 0.00 C ATOM 720 CE1 TYR A 50 -8.930 0.260 3.156 1.00 0.00 C ATOM 721 CE2 TYR A 50 -8.885 2.653 3.152 1.00 0.00 C ATOM 722 CZ TYR A 50 -9.557 1.469 3.376 1.00 0.00 C ATOM 723 OH TYR A 50 -10.858 1.493 3.822 1.00 0.00 O ATOM 0 H TYR A 50 -4.646 2.527 4.394 1.00 0.00 H new ATOM 0 HA TYR A 50 -4.556 -0.155 3.147 1.00 0.00 H new ATOM 0 HB2 TYR A 50 -5.217 2.389 1.646 1.00 0.00 H new ATOM 0 HB3 TYR A 50 -5.428 0.730 1.122 1.00 0.00 H new ATOM 0 HD1 TYR A 50 -7.135 -0.708 2.538 1.00 0.00 H new ATOM 0 HD2 TYR A 50 -7.057 3.552 2.529 1.00 0.00 H new ATOM 0 HE1 TYR A 50 -9.458 -0.666 3.332 1.00 0.00 H new ATOM 0 HE2 TYR A 50 -9.378 3.598 3.326 1.00 0.00 H new ATOM 0 HH TYR A 50 -11.151 2.422 3.927 1.00 0.00 H new ATOM 733 N LEU A 51 -2.425 0.377 1.908 1.00 0.00 N ATOM 734 CA LEU A 51 -1.064 0.601 1.434 1.00 0.00 C ATOM 735 C LEU A 51 -1.067 1.215 0.038 1.00 0.00 C ATOM 736 O LEU A 51 -1.331 0.530 -0.950 1.00 0.00 O ATOM 737 CB LEU A 51 -0.283 -0.714 1.424 1.00 0.00 C ATOM 738 CG LEU A 51 -0.192 -1.451 2.761 1.00 0.00 C ATOM 739 CD1 LEU A 51 -0.090 -0.461 3.910 1.00 0.00 C ATOM 740 CD2 LEU A 51 -1.394 -2.366 2.948 1.00 0.00 C ATOM 0 H LEU A 51 -2.818 -0.528 1.650 1.00 0.00 H new ATOM 0 HA LEU A 51 -0.579 1.299 2.116 1.00 0.00 H new ATOM 0 HB2 LEU A 51 -0.743 -1.381 0.695 1.00 0.00 H new ATOM 0 HB3 LEU A 51 0.729 -0.510 1.075 1.00 0.00 H new ATOM 0 HG LEU A 51 0.709 -2.064 2.756 1.00 0.00 H new ATOM 0 HD11 LEU A 51 -0.026 -1.004 4.853 1.00 0.00 H new ATOM 0 HD12 LEU A 51 0.802 0.153 3.783 1.00 0.00 H new ATOM 0 HD13 LEU A 51 -0.972 0.179 3.918 1.00 0.00 H new ATOM 0 HD21 LEU A 51 -1.313 -2.882 3.904 1.00 0.00 H new ATOM 0 HD22 LEU A 51 -2.309 -1.773 2.932 1.00 0.00 H new ATOM 0 HD23 LEU A 51 -1.423 -3.099 2.141 1.00 0.00 H new ATOM 752 N GLN A 52 -0.770 2.508 -0.036 1.00 0.00 N ATOM 753 CA GLN A 52 -0.737 3.212 -1.312 1.00 0.00 C ATOM 754 C GLN A 52 0.673 3.219 -1.894 1.00 0.00 C ATOM 755 O GLN A 52 1.596 3.778 -1.302 1.00 0.00 O ATOM 756 CB GLN A 52 -1.237 4.648 -1.139 1.00 0.00 C ATOM 757 CG GLN A 52 -2.647 4.868 -1.661 1.00 0.00 C ATOM 758 CD GLN A 52 -2.788 6.164 -2.434 1.00 0.00 C ATOM 759 OE1 GLN A 52 -2.632 6.193 -3.655 1.00 0.00 O ATOM 760 NE2 GLN A 52 -3.084 7.247 -1.725 1.00 0.00 N ATOM 0 H GLN A 52 -0.549 3.089 0.772 1.00 0.00 H new ATOM 0 HA GLN A 52 -1.394 2.687 -2.005 1.00 0.00 H new ATOM 0 HB2 GLN A 52 -1.205 4.910 -0.081 1.00 0.00 H new ATOM 0 HB3 GLN A 52 -0.557 5.325 -1.656 1.00 0.00 H new ATOM 0 HG2 GLN A 52 -2.926 4.034 -2.304 1.00 0.00 H new ATOM 0 HG3 GLN A 52 -3.344 4.872 -0.823 1.00 0.00 H new ATOM 0 HE21 GLN A 52 -3.205 7.178 -0.715 1.00 0.00 H new ATOM 0 HE22 GLN A 52 -3.191 8.148 -2.191 1.00 0.00 H new ATOM 769 N ILE A 53 0.830 2.595 -3.057 1.00 0.00 N ATOM 770 CA ILE A 53 2.127 2.530 -3.719 1.00 0.00 C ATOM 771 C ILE A 53 2.697 3.926 -3.949 1.00 0.00 C ATOM 772 O ILE A 53 2.070 4.764 -4.597 1.00 0.00 O ATOM 773 CB ILE A 53 2.033 1.797 -5.070 1.00 0.00 C ATOM 774 CG1 ILE A 53 1.449 0.396 -4.875 1.00 0.00 C ATOM 775 CG2 ILE A 53 3.404 1.718 -5.726 1.00 0.00 C ATOM 776 CD1 ILE A 53 0.859 -0.194 -6.136 1.00 0.00 C ATOM 0 H ILE A 53 0.076 2.128 -3.560 1.00 0.00 H new ATOM 0 HA ILE A 53 2.791 1.973 -3.058 1.00 0.00 H new ATOM 0 HB ILE A 53 1.369 2.359 -5.727 1.00 0.00 H new ATOM 0 HG12 ILE A 53 2.232 -0.267 -4.505 1.00 0.00 H new ATOM 0 HG13 ILE A 53 0.677 0.437 -4.107 1.00 0.00 H new ATOM 0 HG21 ILE A 53 3.321 1.197 -6.680 1.00 0.00 H new ATOM 0 HG22 ILE A 53 3.785 2.725 -5.894 1.00 0.00 H new ATOM 0 HG23 ILE A 53 4.088 1.175 -5.074 1.00 0.00 H new ATOM 0 HD11 ILE A 53 0.464 -1.187 -5.923 1.00 0.00 H new ATOM 0 HD12 ILE A 53 0.054 0.447 -6.496 1.00 0.00 H new ATOM 0 HD13 ILE A 53 1.633 -0.268 -6.900 1.00 0.00 H new ATOM 788 N SER A 54 3.890 4.167 -3.416 1.00 0.00 N ATOM 789 CA SER A 54 4.545 5.462 -3.562 1.00 0.00 C ATOM 790 C SER A 54 5.541 5.440 -4.717 1.00 0.00 C ATOM 791 O SER A 54 5.658 6.408 -5.470 1.00 0.00 O ATOM 792 CB SER A 54 5.259 5.845 -2.264 1.00 0.00 C ATOM 793 OG SER A 54 6.533 6.406 -2.530 1.00 0.00 O ATOM 0 H SER A 54 4.423 3.483 -2.879 1.00 0.00 H new ATOM 0 HA SER A 54 3.779 6.206 -3.780 1.00 0.00 H new ATOM 0 HB2 SER A 54 4.652 6.560 -1.709 1.00 0.00 H new ATOM 0 HB3 SER A 54 5.371 4.963 -1.633 1.00 0.00 H new ATOM 0 HG SER A 54 6.969 6.644 -1.685 1.00 0.00 H new ATOM 799 N HIS A 55 6.258 4.329 -4.851 1.00 0.00 N ATOM 800 CA HIS A 55 7.245 4.179 -5.914 1.00 0.00 C ATOM 801 C HIS A 55 7.443 2.708 -6.268 1.00 0.00 C ATOM 802 O HIS A 55 7.319 1.831 -5.413 1.00 0.00 O ATOM 803 CB HIS A 55 8.578 4.798 -5.493 1.00 0.00 C ATOM 804 CG HIS A 55 9.772 4.091 -6.057 1.00 0.00 C ATOM 805 ND1 HIS A 55 10.236 2.836 -5.853 1.00 0.00 N flip ATOM 806 CD2 HIS A 55 10.645 4.681 -6.946 1.00 0.00 C flip ATOM 807 CE1 HIS A 55 11.369 2.692 -6.615 1.00 0.00 C flip ATOM 808 NE2 HIS A 55 11.594 3.819 -7.265 1.00 0.00 N flip ATOM 0 H HIS A 55 6.174 3.519 -4.237 1.00 0.00 H new ATOM 0 HA HIS A 55 6.874 4.700 -6.796 1.00 0.00 H new ATOM 0 HB2 HIS A 55 8.601 5.841 -5.809 1.00 0.00 H new ATOM 0 HB3 HIS A 55 8.644 4.793 -4.405 1.00 0.00 H new ATOM 0 HD2 HIS A 55 10.566 5.690 -7.323 1.00 0.00 H new ATOM 0 HE1 HIS A 55 11.977 1.802 -6.673 1.00 0.00 H new ATOM 0 HE2 HIS A 55 12.369 3.994 -7.905 1.00 0.00 H new ATOM 817 N LEU A 56 7.751 2.446 -7.534 1.00 0.00 N ATOM 818 CA LEU A 56 7.965 1.081 -8.002 1.00 0.00 C ATOM 819 C LEU A 56 9.447 0.818 -8.253 1.00 0.00 C ATOM 820 O LEU A 56 10.127 1.614 -8.901 1.00 0.00 O ATOM 821 CB LEU A 56 7.166 0.828 -9.282 1.00 0.00 C ATOM 822 CG LEU A 56 5.664 1.100 -9.200 1.00 0.00 C ATOM 823 CD1 LEU A 56 5.151 1.662 -10.516 1.00 0.00 C ATOM 824 CD2 LEU A 56 4.912 -0.170 -8.830 1.00 0.00 C ATOM 0 H LEU A 56 7.858 3.160 -8.254 1.00 0.00 H new ATOM 0 HA LEU A 56 7.620 0.398 -7.225 1.00 0.00 H new ATOM 0 HB2 LEU A 56 7.584 1.447 -10.076 1.00 0.00 H new ATOM 0 HB3 LEU A 56 7.311 -0.211 -9.578 1.00 0.00 H new ATOM 0 HG LEU A 56 5.490 1.841 -8.420 1.00 0.00 H new ATOM 0 HD11 LEU A 56 4.080 1.849 -10.439 1.00 0.00 H new ATOM 0 HD12 LEU A 56 5.668 2.596 -10.739 1.00 0.00 H new ATOM 0 HD13 LEU A 56 5.337 0.945 -11.315 1.00 0.00 H new ATOM 0 HD21 LEU A 56 3.844 0.042 -8.776 1.00 0.00 H new ATOM 0 HD22 LEU A 56 5.093 -0.933 -9.587 1.00 0.00 H new ATOM 0 HD23 LEU A 56 5.260 -0.530 -7.862 1.00 0.00 H new ATOM 836 N ILE A 57 9.939 -0.304 -7.738 1.00 0.00 N ATOM 837 CA ILE A 57 11.338 -0.673 -7.910 1.00 0.00 C ATOM 838 C ILE A 57 11.638 -1.032 -9.361 1.00 0.00 C ATOM 839 O ILE A 57 11.156 -2.040 -9.874 1.00 0.00 O ATOM 840 CB ILE A 57 11.721 -1.862 -7.009 1.00 0.00 C ATOM 841 CG1 ILE A 57 12.040 -1.376 -5.594 1.00 0.00 C ATOM 842 CG2 ILE A 57 12.908 -2.611 -7.597 1.00 0.00 C ATOM 843 CD1 ILE A 57 11.091 -0.309 -5.093 1.00 0.00 C ATOM 0 H ILE A 57 9.389 -0.973 -7.198 1.00 0.00 H new ATOM 0 HA ILE A 57 11.931 0.196 -7.624 1.00 0.00 H new ATOM 0 HB ILE A 57 10.874 -2.546 -6.956 1.00 0.00 H new ATOM 0 HG12 ILE A 57 12.011 -2.226 -4.912 1.00 0.00 H new ATOM 0 HG13 ILE A 57 13.057 -0.985 -5.574 1.00 0.00 H new ATOM 0 HG21 ILE A 57 13.167 -3.448 -6.949 1.00 0.00 H new ATOM 0 HG22 ILE A 57 12.648 -2.985 -8.587 1.00 0.00 H new ATOM 0 HG23 ILE A 57 13.761 -1.937 -7.676 1.00 0.00 H new ATOM 0 HD11 ILE A 57 11.377 -0.012 -4.084 1.00 0.00 H new ATOM 0 HD12 ILE A 57 11.137 0.557 -5.753 1.00 0.00 H new ATOM 0 HD13 ILE A 57 10.075 -0.703 -5.081 1.00 0.00 H new ATOM 855 N ASN A 58 12.440 -0.199 -10.017 1.00 0.00 N ATOM 856 CA ASN A 58 12.806 -0.429 -11.410 1.00 0.00 C ATOM 857 C ASN A 58 13.239 -1.876 -11.627 1.00 0.00 C ATOM 858 O ASN A 58 12.781 -2.540 -12.558 1.00 0.00 O ATOM 859 CB ASN A 58 13.932 0.520 -11.827 1.00 0.00 C ATOM 860 CG ASN A 58 14.345 0.327 -13.273 1.00 0.00 C ATOM 861 OD1 ASN A 58 13.537 0.487 -14.188 1.00 0.00 O ATOM 862 ND2 ASN A 58 15.609 -0.019 -13.486 1.00 0.00 N ATOM 0 H ASN A 58 12.848 0.641 -9.607 1.00 0.00 H new ATOM 0 HA ASN A 58 11.929 -0.234 -12.027 1.00 0.00 H new ATOM 0 HB2 ASN A 58 13.609 1.550 -11.679 1.00 0.00 H new ATOM 0 HB3 ASN A 58 14.795 0.361 -11.181 1.00 0.00 H new ATOM 0 HD21 ASN A 58 15.945 -0.163 -14.438 1.00 0.00 H new ATOM 0 HD22 ASN A 58 16.244 -0.141 -12.697 1.00 0.00 H new ATOM 869 N LYS A 59 14.123 -2.359 -10.761 1.00 0.00 N ATOM 870 CA LYS A 59 14.617 -3.728 -10.856 1.00 0.00 C ATOM 871 C LYS A 59 13.629 -4.707 -10.231 1.00 0.00 C ATOM 872 O LYS A 59 14.016 -5.599 -9.478 1.00 0.00 O ATOM 873 CB LYS A 59 15.977 -3.849 -10.164 1.00 0.00 C ATOM 874 CG LYS A 59 17.010 -2.859 -10.675 1.00 0.00 C ATOM 875 CD LYS A 59 17.954 -2.418 -9.569 1.00 0.00 C ATOM 876 CE LYS A 59 18.616 -1.089 -9.898 1.00 0.00 C ATOM 877 NZ LYS A 59 19.913 -0.924 -9.186 1.00 0.00 N ATOM 0 H LYS A 59 14.512 -1.823 -9.985 1.00 0.00 H new ATOM 0 HA LYS A 59 14.729 -3.976 -11.912 1.00 0.00 H new ATOM 0 HB2 LYS A 59 15.844 -3.702 -9.092 1.00 0.00 H new ATOM 0 HB3 LYS A 59 16.357 -4.861 -10.302 1.00 0.00 H new ATOM 0 HG2 LYS A 59 17.582 -3.314 -11.483 1.00 0.00 H new ATOM 0 HG3 LYS A 59 16.505 -1.988 -11.093 1.00 0.00 H new ATOM 0 HD2 LYS A 59 17.403 -2.329 -8.633 1.00 0.00 H new ATOM 0 HD3 LYS A 59 18.719 -3.179 -9.417 1.00 0.00 H new ATOM 0 HE2 LYS A 59 18.781 -1.022 -10.973 1.00 0.00 H new ATOM 0 HE3 LYS A 59 17.946 -0.273 -9.627 1.00 0.00 H new ATOM 0 HZ1 LYS A 59 20.332 -0.006 -9.437 1.00 0.00 H new ATOM 0 HZ2 LYS A 59 19.753 -0.962 -8.159 1.00 0.00 H new ATOM 0 HZ3 LYS A 59 20.561 -1.688 -9.464 1.00 0.00 H new ATOM 891 N GLY A 60 12.350 -4.536 -10.552 1.00 0.00 N ATOM 892 CA GLY A 60 11.326 -5.413 -10.015 1.00 0.00 C ATOM 893 C GLY A 60 10.292 -5.801 -11.053 1.00 0.00 C ATOM 894 O GLY A 60 10.541 -5.701 -12.254 1.00 0.00 O ATOM 0 H GLY A 60 12.005 -3.805 -11.175 1.00 0.00 H new ATOM 0 HA2 GLY A 60 11.795 -6.314 -9.619 1.00 0.00 H new ATOM 0 HA3 GLY A 60 10.830 -4.919 -9.180 1.00 0.00 H new ATOM 898 N ALA A 61 9.128 -6.245 -10.590 1.00 0.00 N ATOM 899 CA ALA A 61 8.053 -6.649 -11.487 1.00 0.00 C ATOM 900 C ALA A 61 7.051 -5.517 -11.687 1.00 0.00 C ATOM 901 O ALA A 61 6.696 -5.183 -12.817 1.00 0.00 O ATOM 902 CB ALA A 61 7.352 -7.887 -10.946 1.00 0.00 C ATOM 0 H ALA A 61 8.906 -6.334 -9.598 1.00 0.00 H new ATOM 0 HA ALA A 61 8.491 -6.887 -12.456 1.00 0.00 H new ATOM 0 HB1 ALA A 61 6.551 -8.178 -11.626 1.00 0.00 H new ATOM 0 HB2 ALA A 61 8.069 -8.703 -10.860 1.00 0.00 H new ATOM 0 HB3 ALA A 61 6.933 -7.668 -9.964 1.00 0.00 H new ATOM 908 N ALA A 62 6.599 -4.930 -10.584 1.00 0.00 N ATOM 909 CA ALA A 62 5.639 -3.835 -10.639 1.00 0.00 C ATOM 910 C ALA A 62 6.165 -2.688 -11.496 1.00 0.00 C ATOM 911 O ALA A 62 5.507 -2.255 -12.442 1.00 0.00 O ATOM 912 CB ALA A 62 5.318 -3.343 -9.236 1.00 0.00 C ATOM 0 H ALA A 62 6.883 -5.195 -9.641 1.00 0.00 H new ATOM 0 HA ALA A 62 4.724 -4.209 -11.099 1.00 0.00 H new ATOM 0 HB1 ALA A 62 4.600 -2.525 -9.293 1.00 0.00 H new ATOM 0 HB2 ALA A 62 4.893 -4.160 -8.652 1.00 0.00 H new ATOM 0 HB3 ALA A 62 6.231 -2.991 -8.756 1.00 0.00 H new ATOM 918 N ALA A 63 7.354 -2.200 -11.158 1.00 0.00 N ATOM 919 CA ALA A 63 7.968 -1.104 -11.897 1.00 0.00 C ATOM 920 C ALA A 63 8.120 -1.454 -13.374 1.00 0.00 C ATOM 921 O ALA A 63 8.002 -0.590 -14.242 1.00 0.00 O ATOM 922 CB ALA A 63 9.320 -0.752 -11.295 1.00 0.00 C ATOM 0 H ALA A 63 7.911 -2.546 -10.377 1.00 0.00 H new ATOM 0 HA ALA A 63 7.312 -0.237 -11.821 1.00 0.00 H new ATOM 0 HB1 ALA A 63 9.766 0.068 -11.857 1.00 0.00 H new ATOM 0 HB2 ALA A 63 9.188 -0.450 -10.256 1.00 0.00 H new ATOM 0 HB3 ALA A 63 9.976 -1.622 -11.340 1.00 0.00 H new ATOM 928 N SER A 64 8.383 -2.727 -13.651 1.00 0.00 N ATOM 929 CA SER A 64 8.556 -3.192 -15.022 1.00 0.00 C ATOM 930 C SER A 64 7.204 -3.437 -15.687 1.00 0.00 C ATOM 931 O SER A 64 7.135 -3.923 -16.816 1.00 0.00 O ATOM 932 CB SER A 64 9.390 -4.474 -15.048 1.00 0.00 C ATOM 933 OG SER A 64 10.698 -4.221 -15.529 1.00 0.00 O ATOM 0 H SER A 64 8.481 -3.455 -12.944 1.00 0.00 H new ATOM 0 HA SER A 64 9.080 -2.416 -15.579 1.00 0.00 H new ATOM 0 HB2 SER A 64 9.443 -4.897 -14.045 1.00 0.00 H new ATOM 0 HB3 SER A 64 8.903 -5.216 -15.681 1.00 0.00 H new ATOM 0 HG SER A 64 11.212 -5.056 -15.534 1.00 0.00 H new ATOM 939 N ASP A 65 6.133 -3.097 -14.978 1.00 0.00 N ATOM 940 CA ASP A 65 4.783 -3.279 -15.499 1.00 0.00 C ATOM 941 C ASP A 65 4.127 -1.932 -15.788 1.00 0.00 C ATOM 942 O ASP A 65 3.951 -1.110 -14.890 1.00 0.00 O ATOM 943 CB ASP A 65 3.933 -4.072 -14.505 1.00 0.00 C ATOM 944 CG ASP A 65 2.987 -5.036 -15.193 1.00 0.00 C ATOM 945 OD1 ASP A 65 3.464 -5.860 -16.001 1.00 0.00 O ATOM 946 OD2 ASP A 65 1.769 -4.966 -14.924 1.00 0.00 O ATOM 0 H ASP A 65 6.173 -2.694 -14.042 1.00 0.00 H new ATOM 0 HA ASP A 65 4.852 -3.837 -16.433 1.00 0.00 H new ATOM 0 HB2 ASP A 65 4.588 -4.627 -13.833 1.00 0.00 H new ATOM 0 HB3 ASP A 65 3.358 -3.380 -13.890 1.00 0.00 H new ATOM 951 N GLY A 66 3.766 -1.714 -17.049 1.00 0.00 N ATOM 952 CA GLY A 66 3.134 -0.465 -17.434 1.00 0.00 C ATOM 953 C GLY A 66 1.648 -0.452 -17.138 1.00 0.00 C ATOM 954 O GLY A 66 0.883 0.254 -17.796 1.00 0.00 O ATOM 0 H GLY A 66 3.900 -2.379 -17.810 1.00 0.00 H new ATOM 0 HA2 GLY A 66 3.614 0.359 -16.906 1.00 0.00 H new ATOM 0 HA3 GLY A 66 3.291 -0.295 -18.499 1.00 0.00 H new ATOM 958 N ILE A 67 1.237 -1.237 -16.147 1.00 0.00 N ATOM 959 CA ILE A 67 -0.168 -1.313 -15.767 1.00 0.00 C ATOM 960 C ILE A 67 -0.391 -0.747 -14.368 1.00 0.00 C ATOM 961 O ILE A 67 -1.380 -0.059 -14.115 1.00 0.00 O ATOM 962 CB ILE A 67 -0.686 -2.763 -15.810 1.00 0.00 C ATOM 963 CG1 ILE A 67 -0.434 -3.376 -17.189 1.00 0.00 C ATOM 964 CG2 ILE A 67 -2.167 -2.807 -15.468 1.00 0.00 C ATOM 965 CD1 ILE A 67 0.976 -3.893 -17.372 1.00 0.00 C ATOM 0 H ILE A 67 1.857 -1.829 -15.594 1.00 0.00 H new ATOM 0 HA ILE A 67 -0.723 -0.716 -16.491 1.00 0.00 H new ATOM 0 HB ILE A 67 -0.144 -3.349 -15.067 1.00 0.00 H new ATOM 0 HG12 ILE A 67 -1.136 -4.195 -17.348 1.00 0.00 H new ATOM 0 HG13 ILE A 67 -0.640 -2.627 -17.954 1.00 0.00 H new ATOM 0 HG21 ILE A 67 -2.518 -3.838 -15.503 1.00 0.00 H new ATOM 0 HG22 ILE A 67 -2.321 -2.405 -14.467 1.00 0.00 H new ATOM 0 HG23 ILE A 67 -2.725 -2.209 -16.189 1.00 0.00 H new ATOM 0 HD11 ILE A 67 1.082 -4.313 -18.372 1.00 0.00 H new ATOM 0 HD12 ILE A 67 1.683 -3.073 -17.246 1.00 0.00 H new ATOM 0 HD13 ILE A 67 1.179 -4.665 -16.630 1.00 0.00 H new ATOM 977 N LEU A 68 0.537 -1.041 -13.463 1.00 0.00 N ATOM 978 CA LEU A 68 0.444 -0.560 -12.089 1.00 0.00 C ATOM 979 C LEU A 68 1.226 0.737 -11.912 1.00 0.00 C ATOM 980 O LEU A 68 2.371 0.847 -12.349 1.00 0.00 O ATOM 981 CB LEU A 68 0.969 -1.621 -11.120 1.00 0.00 C ATOM 982 CG LEU A 68 0.181 -2.931 -11.068 1.00 0.00 C ATOM 983 CD1 LEU A 68 0.692 -3.816 -9.942 1.00 0.00 C ATOM 984 CD2 LEU A 68 -1.305 -2.652 -10.897 1.00 0.00 C ATOM 0 H LEU A 68 1.362 -1.610 -13.656 1.00 0.00 H new ATOM 0 HA LEU A 68 -0.605 -0.363 -11.869 1.00 0.00 H new ATOM 0 HB2 LEU A 68 2.000 -1.851 -11.388 1.00 0.00 H new ATOM 0 HB3 LEU A 68 0.988 -1.192 -10.118 1.00 0.00 H new ATOM 0 HG LEU A 68 0.325 -3.458 -12.011 1.00 0.00 H new ATOM 0 HD11 LEU A 68 0.120 -4.744 -9.920 1.00 0.00 H new ATOM 0 HD12 LEU A 68 1.745 -4.043 -10.107 1.00 0.00 H new ATOM 0 HD13 LEU A 68 0.578 -3.297 -8.991 1.00 0.00 H new ATOM 0 HD21 LEU A 68 -1.851 -3.595 -10.862 1.00 0.00 H new ATOM 0 HD22 LEU A 68 -1.468 -2.104 -9.969 1.00 0.00 H new ATOM 0 HD23 LEU A 68 -1.663 -2.057 -11.737 1.00 0.00 H new ATOM 996 N GLN A 69 0.600 1.716 -11.267 1.00 0.00 N ATOM 997 CA GLN A 69 1.238 3.006 -11.031 1.00 0.00 C ATOM 998 C GLN A 69 1.381 3.278 -9.537 1.00 0.00 C ATOM 999 O GLN A 69 0.593 2.805 -8.718 1.00 0.00 O ATOM 1000 CB GLN A 69 0.432 4.126 -11.691 1.00 0.00 C ATOM 1001 CG GLN A 69 0.376 4.024 -13.207 1.00 0.00 C ATOM 1002 CD GLN A 69 -0.873 4.656 -13.788 1.00 0.00 C ATOM 1003 OE1 GLN A 69 -0.797 5.620 -14.551 1.00 0.00 O ATOM 1004 NE2 GLN A 69 -2.032 4.117 -13.430 1.00 0.00 N ATOM 0 H GLN A 69 -0.348 1.641 -10.899 1.00 0.00 H new ATOM 0 HA GLN A 69 2.234 2.976 -11.473 1.00 0.00 H new ATOM 0 HB2 GLN A 69 -0.584 4.112 -11.297 1.00 0.00 H new ATOM 0 HB3 GLN A 69 0.868 5.086 -11.416 1.00 0.00 H new ATOM 0 HG2 GLN A 69 1.255 4.508 -13.633 1.00 0.00 H new ATOM 0 HG3 GLN A 69 0.417 2.975 -13.499 1.00 0.00 H new ATOM 0 HE21 GLN A 69 -2.049 3.319 -12.795 1.00 0.00 H new ATOM 0 HE22 GLN A 69 -2.906 4.501 -13.790 1.00 0.00 H new ATOM 1013 N PRO A 70 2.409 4.058 -9.173 1.00 0.00 N ATOM 1014 CA PRO A 70 2.679 4.410 -7.776 1.00 0.00 C ATOM 1015 C PRO A 70 1.630 5.358 -7.204 1.00 0.00 C ATOM 1016 O PRO A 70 1.845 6.567 -7.134 1.00 0.00 O ATOM 1017 CB PRO A 70 4.044 5.100 -7.841 1.00 0.00 C ATOM 1018 CG PRO A 70 4.133 5.633 -9.229 1.00 0.00 C ATOM 1019 CD PRO A 70 3.387 4.656 -10.096 1.00 0.00 C ATOM 0 HA PRO A 70 2.658 3.536 -7.125 1.00 0.00 H new ATOM 0 HB2 PRO A 70 4.119 5.900 -7.104 1.00 0.00 H new ATOM 0 HB3 PRO A 70 4.852 4.399 -7.634 1.00 0.00 H new ATOM 0 HG2 PRO A 70 3.693 6.628 -9.294 1.00 0.00 H new ATOM 0 HG3 PRO A 70 5.172 5.723 -9.547 1.00 0.00 H new ATOM 0 HD2 PRO A 70 2.897 5.154 -10.933 1.00 0.00 H new ATOM 0 HD3 PRO A 70 4.053 3.904 -10.518 1.00 0.00 H new ATOM 1027 N GLY A 71 0.494 4.800 -6.796 1.00 0.00 N ATOM 1028 CA GLY A 71 -0.571 5.611 -6.236 1.00 0.00 C ATOM 1029 C GLY A 71 -1.908 4.896 -6.241 1.00 0.00 C ATOM 1030 O GLY A 71 -2.954 5.524 -6.402 1.00 0.00 O ATOM 0 H GLY A 71 0.293 3.801 -6.843 1.00 0.00 H new ATOM 0 HA2 GLY A 71 -0.314 5.887 -5.213 1.00 0.00 H new ATOM 0 HA3 GLY A 71 -0.656 6.537 -6.805 1.00 0.00 H new ATOM 1034 N ASP A 72 -1.874 3.580 -6.065 1.00 0.00 N ATOM 1035 CA ASP A 72 -3.092 2.778 -6.051 1.00 0.00 C ATOM 1036 C ASP A 72 -3.251 2.055 -4.717 1.00 0.00 C ATOM 1037 O ASP A 72 -2.292 1.914 -3.957 1.00 0.00 O ATOM 1038 CB ASP A 72 -3.074 1.764 -7.196 1.00 0.00 C ATOM 1039 CG ASP A 72 -2.020 0.692 -7.004 1.00 0.00 C ATOM 1040 OD1 ASP A 72 -1.835 0.241 -5.854 1.00 0.00 O ATOM 1041 OD2 ASP A 72 -1.381 0.303 -8.004 1.00 0.00 O ATOM 0 H ASP A 72 -1.016 3.045 -5.930 1.00 0.00 H new ATOM 0 HA ASP A 72 -3.941 3.449 -6.184 1.00 0.00 H new ATOM 0 HB2 ASP A 72 -4.054 1.295 -7.277 1.00 0.00 H new ATOM 0 HB3 ASP A 72 -2.891 2.285 -8.136 1.00 0.00 H new ATOM 1046 N VAL A 73 -4.468 1.599 -4.439 1.00 0.00 N ATOM 1047 CA VAL A 73 -4.753 0.890 -3.197 1.00 0.00 C ATOM 1048 C VAL A 73 -4.989 -0.594 -3.453 1.00 0.00 C ATOM 1049 O VAL A 73 -6.072 -0.996 -3.881 1.00 0.00 O ATOM 1050 CB VAL A 73 -5.984 1.480 -2.484 1.00 0.00 C ATOM 1051 CG1 VAL A 73 -6.535 0.493 -1.466 1.00 0.00 C ATOM 1052 CG2 VAL A 73 -5.633 2.803 -1.820 1.00 0.00 C ATOM 0 H VAL A 73 -5.272 1.708 -5.057 1.00 0.00 H new ATOM 0 HA VAL A 73 -3.880 1.010 -2.556 1.00 0.00 H new ATOM 0 HB VAL A 73 -6.758 1.668 -3.229 1.00 0.00 H new ATOM 0 HG11 VAL A 73 -7.404 0.927 -0.972 1.00 0.00 H new ATOM 0 HG12 VAL A 73 -6.827 -0.427 -1.972 1.00 0.00 H new ATOM 0 HG13 VAL A 73 -5.769 0.271 -0.723 1.00 0.00 H new ATOM 0 HG21 VAL A 73 -6.515 3.205 -1.321 1.00 0.00 H new ATOM 0 HG22 VAL A 73 -4.842 2.644 -1.087 1.00 0.00 H new ATOM 0 HG23 VAL A 73 -5.290 3.510 -2.576 1.00 0.00 H new ATOM 1062 N LEU A 74 -3.971 -1.404 -3.187 1.00 0.00 N ATOM 1063 CA LEU A 74 -4.067 -2.846 -3.388 1.00 0.00 C ATOM 1064 C LEU A 74 -5.267 -3.421 -2.642 1.00 0.00 C ATOM 1065 O LEU A 74 -5.737 -2.840 -1.663 1.00 0.00 O ATOM 1066 CB LEU A 74 -2.783 -3.533 -2.920 1.00 0.00 C ATOM 1067 CG LEU A 74 -1.509 -3.164 -3.680 1.00 0.00 C ATOM 1068 CD1 LEU A 74 -1.814 -2.932 -5.152 1.00 0.00 C ATOM 1069 CD2 LEU A 74 -0.860 -1.932 -3.067 1.00 0.00 C ATOM 0 H LEU A 74 -3.069 -1.087 -2.831 1.00 0.00 H new ATOM 0 HA LEU A 74 -4.202 -3.031 -4.454 1.00 0.00 H new ATOM 0 HB2 LEU A 74 -2.634 -3.300 -1.866 1.00 0.00 H new ATOM 0 HB3 LEU A 74 -2.925 -4.611 -2.991 1.00 0.00 H new ATOM 0 HG LEU A 74 -0.809 -3.995 -3.602 1.00 0.00 H new ATOM 0 HD11 LEU A 74 -0.895 -2.670 -5.677 1.00 0.00 H new ATOM 0 HD12 LEU A 74 -2.233 -3.841 -5.584 1.00 0.00 H new ATOM 0 HD13 LEU A 74 -2.533 -2.118 -5.251 1.00 0.00 H new ATOM 0 HD21 LEU A 74 0.045 -1.684 -3.621 1.00 0.00 H new ATOM 0 HD22 LEU A 74 -1.555 -1.093 -3.114 1.00 0.00 H new ATOM 0 HD23 LEU A 74 -0.605 -2.135 -2.027 1.00 0.00 H new ATOM 1081 N ILE A 75 -5.755 -4.565 -3.109 1.00 0.00 N ATOM 1082 CA ILE A 75 -6.897 -5.219 -2.483 1.00 0.00 C ATOM 1083 C ILE A 75 -6.700 -6.730 -2.423 1.00 0.00 C ATOM 1084 O ILE A 75 -7.643 -7.480 -2.168 1.00 0.00 O ATOM 1085 CB ILE A 75 -8.205 -4.913 -3.237 1.00 0.00 C ATOM 1086 CG1 ILE A 75 -8.404 -3.401 -3.364 1.00 0.00 C ATOM 1087 CG2 ILE A 75 -9.389 -5.550 -2.525 1.00 0.00 C ATOM 1088 CD1 ILE A 75 -8.257 -2.889 -4.780 1.00 0.00 C ATOM 0 H ILE A 75 -5.378 -5.058 -3.918 1.00 0.00 H new ATOM 0 HA ILE A 75 -6.970 -4.824 -1.470 1.00 0.00 H new ATOM 0 HB ILE A 75 -8.137 -5.338 -4.239 1.00 0.00 H new ATOM 0 HG12 ILE A 75 -9.395 -3.141 -2.993 1.00 0.00 H new ATOM 0 HG13 ILE A 75 -7.681 -2.893 -2.726 1.00 0.00 H new ATOM 0 HG21 ILE A 75 -10.306 -5.325 -3.070 1.00 0.00 H new ATOM 0 HG22 ILE A 75 -9.249 -6.630 -2.481 1.00 0.00 H new ATOM 0 HG23 ILE A 75 -9.462 -5.152 -1.513 1.00 0.00 H new ATOM 0 HD11 ILE A 75 -8.411 -1.810 -4.795 1.00 0.00 H new ATOM 0 HD12 ILE A 75 -7.257 -3.118 -5.148 1.00 0.00 H new ATOM 0 HD13 ILE A 75 -8.997 -3.370 -5.419 1.00 0.00 H new ATOM 1100 N SER A 76 -5.468 -7.170 -2.658 1.00 0.00 N ATOM 1101 CA SER A 76 -5.147 -8.593 -2.633 1.00 0.00 C ATOM 1102 C SER A 76 -3.855 -8.871 -3.394 1.00 0.00 C ATOM 1103 O SER A 76 -3.878 -9.383 -4.514 1.00 0.00 O ATOM 1104 CB SER A 76 -6.293 -9.407 -3.237 1.00 0.00 C ATOM 1105 OG SER A 76 -6.884 -8.724 -4.329 1.00 0.00 O ATOM 0 H SER A 76 -4.676 -6.562 -2.868 1.00 0.00 H new ATOM 0 HA SER A 76 -5.008 -8.891 -1.594 1.00 0.00 H new ATOM 0 HB2 SER A 76 -5.919 -10.376 -3.569 1.00 0.00 H new ATOM 0 HB3 SER A 76 -7.047 -9.601 -2.474 1.00 0.00 H new ATOM 0 HG SER A 76 -7.617 -8.160 -4.004 1.00 0.00 H new ATOM 1111 N VAL A 77 -2.727 -8.529 -2.779 1.00 0.00 N ATOM 1112 CA VAL A 77 -1.424 -8.743 -3.396 1.00 0.00 C ATOM 1113 C VAL A 77 -0.963 -10.186 -3.223 1.00 0.00 C ATOM 1114 O VAL A 77 -0.330 -10.531 -2.226 1.00 0.00 O ATOM 1115 CB VAL A 77 -0.360 -7.801 -2.802 1.00 0.00 C ATOM 1116 CG1 VAL A 77 1.006 -8.089 -3.405 1.00 0.00 C ATOM 1117 CG2 VAL A 77 -0.753 -6.348 -3.021 1.00 0.00 C ATOM 0 H VAL A 77 -2.690 -8.102 -1.853 1.00 0.00 H new ATOM 0 HA VAL A 77 -1.538 -8.527 -4.458 1.00 0.00 H new ATOM 0 HB VAL A 77 -0.301 -7.980 -1.728 1.00 0.00 H new ATOM 0 HG11 VAL A 77 1.744 -7.413 -2.973 1.00 0.00 H new ATOM 0 HG12 VAL A 77 1.288 -9.120 -3.191 1.00 0.00 H new ATOM 0 HG13 VAL A 77 0.966 -7.940 -4.484 1.00 0.00 H new ATOM 0 HG21 VAL A 77 0.010 -5.697 -2.595 1.00 0.00 H new ATOM 0 HG22 VAL A 77 -0.842 -6.152 -4.090 1.00 0.00 H new ATOM 0 HG23 VAL A 77 -1.709 -6.153 -2.536 1.00 0.00 H new ATOM 1127 N GLY A 78 -1.285 -11.026 -4.202 1.00 0.00 N ATOM 1128 CA GLY A 78 -0.896 -12.422 -4.139 1.00 0.00 C ATOM 1129 C GLY A 78 -1.953 -13.290 -3.486 1.00 0.00 C ATOM 1130 O GLY A 78 -1.638 -14.160 -2.673 1.00 0.00 O ATOM 0 H GLY A 78 -1.808 -10.764 -5.037 1.00 0.00 H new ATOM 0 HA2 GLY A 78 -0.702 -12.788 -5.147 1.00 0.00 H new ATOM 0 HA3 GLY A 78 0.037 -12.511 -3.583 1.00 0.00 H new ATOM 1134 N HIS A 79 -3.212 -13.053 -3.840 1.00 0.00 N ATOM 1135 CA HIS A 79 -4.321 -13.820 -3.282 1.00 0.00 C ATOM 1136 C HIS A 79 -4.475 -13.543 -1.790 1.00 0.00 C ATOM 1137 O HIS A 79 -5.231 -14.224 -1.097 1.00 0.00 O ATOM 1138 CB HIS A 79 -4.104 -15.315 -3.516 1.00 0.00 C ATOM 1139 CG HIS A 79 -5.367 -16.065 -3.807 1.00 0.00 C ATOM 1140 ND1 HIS A 79 -5.968 -16.909 -2.896 1.00 0.00 N ATOM 1141 CD2 HIS A 79 -6.145 -16.094 -4.914 1.00 0.00 C ATOM 1142 CE1 HIS A 79 -7.059 -17.425 -3.431 1.00 0.00 C ATOM 1143 NE2 HIS A 79 -7.190 -16.947 -4.655 1.00 0.00 N ATOM 0 H HIS A 79 -3.490 -12.336 -4.510 1.00 0.00 H new ATOM 0 HA HIS A 79 -5.236 -13.511 -3.788 1.00 0.00 H new ATOM 0 HB2 HIS A 79 -3.413 -15.448 -4.348 1.00 0.00 H new ATOM 0 HB3 HIS A 79 -3.629 -15.747 -2.635 1.00 0.00 H new ATOM 0 HD2 HIS A 79 -5.976 -15.548 -5.830 1.00 0.00 H new ATOM 0 HE1 HIS A 79 -7.731 -18.120 -2.949 1.00 0.00 H new ATOM 0 HE2 HIS A 79 -7.944 -17.174 -5.303 1.00 0.00 H new ATOM 1152 N ALA A 80 -3.753 -12.541 -1.301 1.00 0.00 N ATOM 1153 CA ALA A 80 -3.810 -12.174 0.109 1.00 0.00 C ATOM 1154 C ALA A 80 -4.393 -10.776 0.289 1.00 0.00 C ATOM 1155 O ALA A 80 -3.691 -9.777 0.139 1.00 0.00 O ATOM 1156 CB ALA A 80 -2.425 -12.255 0.732 1.00 0.00 C ATOM 0 H ALA A 80 -3.121 -11.968 -1.860 1.00 0.00 H new ATOM 0 HA ALA A 80 -4.466 -12.881 0.617 1.00 0.00 H new ATOM 0 HB1 ALA A 80 -2.483 -11.978 1.785 1.00 0.00 H new ATOM 0 HB2 ALA A 80 -2.046 -13.273 0.645 1.00 0.00 H new ATOM 0 HB3 ALA A 80 -1.752 -11.572 0.214 1.00 0.00 H new ATOM 1162 N ASN A 81 -5.681 -10.714 0.611 1.00 0.00 N ATOM 1163 CA ASN A 81 -6.358 -9.438 0.811 1.00 0.00 C ATOM 1164 C ASN A 81 -5.557 -8.537 1.745 1.00 0.00 C ATOM 1165 O ASN A 81 -5.643 -8.659 2.967 1.00 0.00 O ATOM 1166 CB ASN A 81 -7.760 -9.664 1.380 1.00 0.00 C ATOM 1167 CG ASN A 81 -8.747 -8.606 0.924 1.00 0.00 C ATOM 1168 OD1 ASN A 81 -9.490 -8.044 1.870 1.00 0.00 O flip ATOM 1169 ND2 ASN A 81 -8.839 -8.298 -0.264 1.00 0.00 N flip ATOM 0 H ASN A 81 -6.277 -11.532 0.739 1.00 0.00 H new ATOM 0 HA ASN A 81 -6.441 -8.944 -0.157 1.00 0.00 H new ATOM 0 HB2 ASN A 81 -8.119 -10.647 1.075 1.00 0.00 H new ATOM 0 HB3 ASN A 81 -7.711 -9.666 2.469 1.00 0.00 H new ATOM 0 HD21 ASN A 81 -8.247 -8.756 -0.957 1.00 0.00 H new ATOM 0 HD22 ASN A 81 -9.507 -7.584 -0.556 1.00 0.00 H new ATOM 1176 N VAL A 82 -4.777 -7.632 1.162 1.00 0.00 N ATOM 1177 CA VAL A 82 -3.962 -6.708 1.942 1.00 0.00 C ATOM 1178 C VAL A 82 -4.804 -5.565 2.496 1.00 0.00 C ATOM 1179 O VAL A 82 -4.271 -4.576 3.003 1.00 0.00 O ATOM 1180 CB VAL A 82 -2.813 -6.124 1.099 1.00 0.00 C ATOM 1181 CG1 VAL A 82 -1.807 -7.208 0.742 1.00 0.00 C ATOM 1182 CG2 VAL A 82 -3.359 -5.458 -0.155 1.00 0.00 C ATOM 0 H VAL A 82 -4.692 -7.519 0.152 1.00 0.00 H new ATOM 0 HA VAL A 82 -3.541 -7.279 2.770 1.00 0.00 H new ATOM 0 HB VAL A 82 -2.299 -5.367 1.691 1.00 0.00 H new ATOM 0 HG11 VAL A 82 -1.003 -6.776 0.146 1.00 0.00 H new ATOM 0 HG12 VAL A 82 -1.393 -7.635 1.655 1.00 0.00 H new ATOM 0 HG13 VAL A 82 -2.304 -7.990 0.168 1.00 0.00 H new ATOM 0 HG21 VAL A 82 -2.534 -5.051 -0.739 1.00 0.00 H new ATOM 0 HG22 VAL A 82 -3.898 -6.193 -0.752 1.00 0.00 H new ATOM 0 HG23 VAL A 82 -4.037 -4.652 0.127 1.00 0.00 H new ATOM 1192 N LEU A 83 -6.121 -5.705 2.397 1.00 0.00 N ATOM 1193 CA LEU A 83 -7.039 -4.683 2.889 1.00 0.00 C ATOM 1194 C LEU A 83 -6.898 -4.505 4.397 1.00 0.00 C ATOM 1195 O LEU A 83 -7.489 -5.250 5.178 1.00 0.00 O ATOM 1196 CB LEU A 83 -8.481 -5.055 2.540 1.00 0.00 C ATOM 1197 CG LEU A 83 -9.138 -4.229 1.434 1.00 0.00 C ATOM 1198 CD1 LEU A 83 -9.803 -2.991 2.015 1.00 0.00 C ATOM 1199 CD2 LEU A 83 -8.113 -3.840 0.378 1.00 0.00 C ATOM 0 H LEU A 83 -6.578 -6.516 1.980 1.00 0.00 H new ATOM 0 HA LEU A 83 -6.787 -3.739 2.406 1.00 0.00 H new ATOM 0 HB2 LEU A 83 -8.503 -6.104 2.244 1.00 0.00 H new ATOM 0 HB3 LEU A 83 -9.087 -4.965 3.442 1.00 0.00 H new ATOM 0 HG LEU A 83 -9.906 -4.840 0.959 1.00 0.00 H new ATOM 0 HD11 LEU A 83 -10.265 -2.416 1.213 1.00 0.00 H new ATOM 0 HD12 LEU A 83 -10.567 -3.291 2.733 1.00 0.00 H new ATOM 0 HD13 LEU A 83 -9.055 -2.378 2.517 1.00 0.00 H new ATOM 0 HD21 LEU A 83 -8.598 -3.253 -0.401 1.00 0.00 H new ATOM 0 HD22 LEU A 83 -7.322 -3.248 0.839 1.00 0.00 H new ATOM 0 HD23 LEU A 83 -7.683 -4.740 -0.061 1.00 0.00 H new ATOM 1211 N GLY A 84 -6.111 -3.512 4.800 1.00 0.00 N ATOM 1212 CA GLY A 84 -5.908 -3.253 6.213 1.00 0.00 C ATOM 1213 C GLY A 84 -4.519 -3.638 6.680 1.00 0.00 C ATOM 1214 O GLY A 84 -4.242 -3.656 7.879 1.00 0.00 O ATOM 0 H GLY A 84 -5.610 -2.882 4.173 1.00 0.00 H new ATOM 0 HA2 GLY A 84 -6.074 -2.194 6.413 1.00 0.00 H new ATOM 0 HA3 GLY A 84 -6.648 -3.807 6.791 1.00 0.00 H new ATOM 1218 N TYR A 85 -3.643 -3.949 5.731 1.00 0.00 N ATOM 1219 CA TYR A 85 -2.275 -4.341 6.051 1.00 0.00 C ATOM 1220 C TYR A 85 -1.390 -3.114 6.250 1.00 0.00 C ATOM 1221 O TYR A 85 -1.506 -2.125 5.526 1.00 0.00 O ATOM 1222 CB TYR A 85 -1.702 -5.223 4.941 1.00 0.00 C ATOM 1223 CG TYR A 85 -1.552 -6.674 5.338 1.00 0.00 C ATOM 1224 CD1 TYR A 85 -2.418 -7.257 6.255 1.00 0.00 C ATOM 1225 CD2 TYR A 85 -0.544 -7.462 4.796 1.00 0.00 C ATOM 1226 CE1 TYR A 85 -2.285 -8.582 6.620 1.00 0.00 C ATOM 1227 CE2 TYR A 85 -0.405 -8.789 5.155 1.00 0.00 C ATOM 1228 CZ TYR A 85 -1.277 -9.344 6.067 1.00 0.00 C ATOM 1229 OH TYR A 85 -1.141 -10.665 6.428 1.00 0.00 O ATOM 0 H TYR A 85 -3.856 -3.937 4.733 1.00 0.00 H new ATOM 0 HA TYR A 85 -2.294 -4.908 6.982 1.00 0.00 H new ATOM 0 HB2 TYR A 85 -2.350 -5.159 4.067 1.00 0.00 H new ATOM 0 HB3 TYR A 85 -0.728 -4.833 4.645 1.00 0.00 H new ATOM 0 HD1 TYR A 85 -3.209 -6.664 6.690 1.00 0.00 H new ATOM 0 HD2 TYR A 85 0.142 -7.030 4.082 1.00 0.00 H new ATOM 0 HE1 TYR A 85 -2.967 -9.019 7.335 1.00 0.00 H new ATOM 0 HE2 TYR A 85 0.383 -9.388 4.723 1.00 0.00 H new ATOM 0 HH TYR A 85 -0.384 -11.059 5.947 1.00 0.00 H new ATOM 1239 N THR A 86 -0.505 -3.186 7.239 1.00 0.00 N ATOM 1240 CA THR A 86 0.401 -2.083 7.536 1.00 0.00 C ATOM 1241 C THR A 86 1.686 -2.193 6.724 1.00 0.00 C ATOM 1242 O THR A 86 2.193 -3.291 6.490 1.00 0.00 O ATOM 1243 CB THR A 86 0.756 -2.035 9.034 1.00 0.00 C ATOM 1244 OG1 THR A 86 1.870 -2.894 9.301 1.00 0.00 O ATOM 1245 CG2 THR A 86 -0.432 -2.456 9.886 1.00 0.00 C ATOM 0 H THR A 86 -0.396 -3.997 7.848 1.00 0.00 H new ATOM 0 HA THR A 86 -0.120 -1.165 7.264 1.00 0.00 H new ATOM 0 HB THR A 86 1.020 -1.009 9.290 1.00 0.00 H new ATOM 0 HG1 THR A 86 2.091 -2.857 10.255 1.00 0.00 H new ATOM 0 HG21 THR A 86 -0.157 -2.414 10.940 1.00 0.00 H new ATOM 0 HG22 THR A 86 -1.269 -1.782 9.702 1.00 0.00 H new ATOM 0 HG23 THR A 86 -0.723 -3.474 9.627 1.00 0.00 H new ATOM 1253 N LEU A 87 2.210 -1.050 6.297 1.00 0.00 N ATOM 1254 CA LEU A 87 3.439 -1.018 5.510 1.00 0.00 C ATOM 1255 C LEU A 87 4.369 -2.159 5.907 1.00 0.00 C ATOM 1256 O LEU A 87 4.900 -2.867 5.051 1.00 0.00 O ATOM 1257 CB LEU A 87 4.151 0.323 5.695 1.00 0.00 C ATOM 1258 CG LEU A 87 5.269 0.632 4.699 1.00 0.00 C ATOM 1259 CD1 LEU A 87 4.719 0.698 3.283 1.00 0.00 C ATOM 1260 CD2 LEU A 87 5.964 1.936 5.065 1.00 0.00 C ATOM 0 H LEU A 87 1.804 -0.133 6.482 1.00 0.00 H new ATOM 0 HA LEU A 87 3.173 -1.139 4.460 1.00 0.00 H new ATOM 0 HB2 LEU A 87 3.408 1.118 5.634 1.00 0.00 H new ATOM 0 HB3 LEU A 87 4.569 0.354 6.701 1.00 0.00 H new ATOM 0 HG LEU A 87 6.003 -0.173 4.744 1.00 0.00 H new ATOM 0 HD11 LEU A 87 5.529 0.919 2.588 1.00 0.00 H new ATOM 0 HD12 LEU A 87 4.268 -0.260 3.023 1.00 0.00 H new ATOM 0 HD13 LEU A 87 3.965 1.482 3.222 1.00 0.00 H new ATOM 0 HD21 LEU A 87 6.757 2.140 4.345 1.00 0.00 H new ATOM 0 HD22 LEU A 87 5.240 2.751 5.049 1.00 0.00 H new ATOM 0 HD23 LEU A 87 6.393 1.852 6.063 1.00 0.00 H new ATOM 1272 N ARG A 88 4.560 -2.334 7.211 1.00 0.00 N ATOM 1273 CA ARG A 88 5.426 -3.391 7.721 1.00 0.00 C ATOM 1274 C ARG A 88 4.823 -4.766 7.449 1.00 0.00 C ATOM 1275 O ARG A 88 5.501 -5.663 6.950 1.00 0.00 O ATOM 1276 CB ARG A 88 5.655 -3.210 9.223 1.00 0.00 C ATOM 1277 CG ARG A 88 6.889 -2.387 9.556 1.00 0.00 C ATOM 1278 CD ARG A 88 7.195 -2.421 11.045 1.00 0.00 C ATOM 1279 NE ARG A 88 8.535 -1.918 11.340 1.00 0.00 N ATOM 1280 CZ ARG A 88 9.649 -2.575 11.036 1.00 0.00 C ATOM 1281 NH1 ARG A 88 9.585 -3.753 10.433 1.00 0.00 N ATOM 1282 NH2 ARG A 88 10.831 -2.052 11.337 1.00 0.00 N ATOM 0 H ARG A 88 4.127 -1.758 7.933 1.00 0.00 H new ATOM 0 HA ARG A 88 6.383 -3.325 7.204 1.00 0.00 H new ATOM 0 HB2 ARG A 88 4.780 -2.730 9.660 1.00 0.00 H new ATOM 0 HB3 ARG A 88 5.746 -4.191 9.689 1.00 0.00 H new ATOM 0 HG2 ARG A 88 7.744 -2.769 8.999 1.00 0.00 H new ATOM 0 HG3 ARG A 88 6.737 -1.356 9.238 1.00 0.00 H new ATOM 0 HD2 ARG A 88 6.457 -1.823 11.580 1.00 0.00 H new ATOM 0 HD3 ARG A 88 7.103 -3.444 11.411 1.00 0.00 H new ATOM 0 HE ARG A 88 8.620 -1.014 11.804 1.00 0.00 H new ATOM 0 HH11 ARG A 88 8.678 -4.158 10.201 1.00 0.00 H new ATOM 0 HH12 ARG A 88 10.442 -4.254 10.201 1.00 0.00 H new ATOM 0 HH21 ARG A 88 10.884 -1.146 11.802 1.00 0.00 H new ATOM 0 HH22 ARG A 88 11.686 -2.556 11.104 1.00 0.00 H new ATOM 1296 N GLU A 89 3.546 -4.923 7.783 1.00 0.00 N ATOM 1297 CA GLU A 89 2.853 -6.189 7.575 1.00 0.00 C ATOM 1298 C GLU A 89 2.672 -6.473 6.087 1.00 0.00 C ATOM 1299 O GLU A 89 2.368 -7.599 5.691 1.00 0.00 O ATOM 1300 CB GLU A 89 1.490 -6.170 8.271 1.00 0.00 C ATOM 1301 CG GLU A 89 1.569 -5.858 9.756 1.00 0.00 C ATOM 1302 CD GLU A 89 1.094 -7.009 10.621 1.00 0.00 C ATOM 1303 OE1 GLU A 89 1.561 -8.147 10.402 1.00 0.00 O ATOM 1304 OE2 GLU A 89 0.255 -6.774 11.515 1.00 0.00 O ATOM 0 H GLU A 89 2.971 -4.190 8.198 1.00 0.00 H new ATOM 0 HA GLU A 89 3.463 -6.982 8.007 1.00 0.00 H new ATOM 0 HB2 GLU A 89 0.854 -5.429 7.786 1.00 0.00 H new ATOM 0 HB3 GLU A 89 1.010 -7.139 8.137 1.00 0.00 H new ATOM 0 HG2 GLU A 89 2.598 -5.613 10.017 1.00 0.00 H new ATOM 0 HG3 GLU A 89 0.967 -4.975 9.970 1.00 0.00 H new ATOM 1311 N PHE A 90 2.862 -5.445 5.267 1.00 0.00 N ATOM 1312 CA PHE A 90 2.719 -5.583 3.822 1.00 0.00 C ATOM 1313 C PHE A 90 3.993 -6.147 3.201 1.00 0.00 C ATOM 1314 O PHE A 90 4.019 -7.289 2.739 1.00 0.00 O ATOM 1315 CB PHE A 90 2.386 -4.229 3.190 1.00 0.00 C ATOM 1316 CG PHE A 90 2.492 -4.225 1.692 1.00 0.00 C ATOM 1317 CD1 PHE A 90 1.438 -4.669 0.909 1.00 0.00 C ATOM 1318 CD2 PHE A 90 3.644 -3.778 1.067 1.00 0.00 C ATOM 1319 CE1 PHE A 90 1.533 -4.667 -0.470 1.00 0.00 C ATOM 1320 CE2 PHE A 90 3.744 -3.773 -0.312 1.00 0.00 C ATOM 1321 CZ PHE A 90 2.687 -4.218 -1.081 1.00 0.00 C ATOM 0 H PHE A 90 3.115 -4.507 5.578 1.00 0.00 H new ATOM 0 HA PHE A 90 1.902 -6.278 3.627 1.00 0.00 H new ATOM 0 HB2 PHE A 90 1.374 -3.943 3.475 1.00 0.00 H new ATOM 0 HB3 PHE A 90 3.058 -3.472 3.596 1.00 0.00 H new ATOM 0 HD1 PHE A 90 0.533 -5.020 1.381 1.00 0.00 H new ATOM 0 HD2 PHE A 90 4.474 -3.429 1.664 1.00 0.00 H new ATOM 0 HE1 PHE A 90 0.705 -5.016 -1.069 1.00 0.00 H new ATOM 0 HE2 PHE A 90 4.648 -3.421 -0.787 1.00 0.00 H new ATOM 0 HZ PHE A 90 2.763 -4.215 -2.158 1.00 0.00 H new ATOM 1331 N LEU A 91 5.048 -5.340 3.193 1.00 0.00 N ATOM 1332 CA LEU A 91 6.327 -5.758 2.628 1.00 0.00 C ATOM 1333 C LEU A 91 6.702 -7.158 3.105 1.00 0.00 C ATOM 1334 O LEU A 91 7.176 -7.985 2.327 1.00 0.00 O ATOM 1335 CB LEU A 91 7.425 -4.765 3.012 1.00 0.00 C ATOM 1336 CG LEU A 91 7.370 -3.403 2.320 1.00 0.00 C ATOM 1337 CD1 LEU A 91 7.096 -2.300 3.331 1.00 0.00 C ATOM 1338 CD2 LEU A 91 8.667 -3.132 1.571 1.00 0.00 C ATOM 0 H LEU A 91 5.044 -4.393 3.571 1.00 0.00 H new ATOM 0 HA LEU A 91 6.227 -5.779 1.543 1.00 0.00 H new ATOM 0 HB2 LEU A 91 7.382 -4.605 4.089 1.00 0.00 H new ATOM 0 HB3 LEU A 91 8.391 -5.221 2.796 1.00 0.00 H new ATOM 0 HG LEU A 91 6.553 -3.417 1.599 1.00 0.00 H new ATOM 0 HD11 LEU A 91 7.061 -1.338 2.819 1.00 0.00 H new ATOM 0 HD12 LEU A 91 6.141 -2.485 3.822 1.00 0.00 H new ATOM 0 HD13 LEU A 91 7.890 -2.285 4.077 1.00 0.00 H new ATOM 0 HD21 LEU A 91 8.610 -2.158 1.085 1.00 0.00 H new ATOM 0 HD22 LEU A 91 9.501 -3.138 2.273 1.00 0.00 H new ATOM 0 HD23 LEU A 91 8.821 -3.905 0.818 1.00 0.00 H new ATOM 1350 N LYS A 92 6.484 -7.417 4.390 1.00 0.00 N ATOM 1351 CA LYS A 92 6.795 -8.717 4.972 1.00 0.00 C ATOM 1352 C LYS A 92 6.056 -9.832 4.238 1.00 0.00 C ATOM 1353 O LYS A 92 6.544 -10.960 4.148 1.00 0.00 O ATOM 1354 CB LYS A 92 6.424 -8.737 6.457 1.00 0.00 C ATOM 1355 CG LYS A 92 5.016 -9.237 6.726 1.00 0.00 C ATOM 1356 CD LYS A 92 4.999 -10.730 7.007 1.00 0.00 C ATOM 1357 CE LYS A 92 3.580 -11.280 7.015 1.00 0.00 C ATOM 1358 NZ LYS A 92 3.258 -11.967 8.296 1.00 0.00 N ATOM 0 H LYS A 92 6.093 -6.743 5.048 1.00 0.00 H new ATOM 0 HA LYS A 92 7.867 -8.886 4.870 1.00 0.00 H new ATOM 0 HB2 LYS A 92 7.133 -9.369 6.991 1.00 0.00 H new ATOM 0 HB3 LYS A 92 6.526 -7.730 6.862 1.00 0.00 H new ATOM 0 HG2 LYS A 92 4.595 -8.701 7.576 1.00 0.00 H new ATOM 0 HG3 LYS A 92 4.382 -9.020 5.867 1.00 0.00 H new ATOM 0 HD2 LYS A 92 5.588 -11.250 6.251 1.00 0.00 H new ATOM 0 HD3 LYS A 92 5.472 -10.926 7.970 1.00 0.00 H new ATOM 0 HE2 LYS A 92 2.874 -10.466 6.852 1.00 0.00 H new ATOM 0 HE3 LYS A 92 3.457 -11.979 6.187 1.00 0.00 H new ATOM 0 HZ1 LYS A 92 2.283 -12.327 8.261 1.00 0.00 H new ATOM 0 HZ2 LYS A 92 3.915 -12.760 8.439 1.00 0.00 H new ATOM 0 HZ3 LYS A 92 3.351 -11.294 9.084 1.00 0.00 H new ATOM 1372 N LEU A 93 4.879 -9.511 3.715 1.00 0.00 N ATOM 1373 CA LEU A 93 4.073 -10.485 2.987 1.00 0.00 C ATOM 1374 C LEU A 93 4.684 -10.786 1.622 1.00 0.00 C ATOM 1375 O LEU A 93 5.051 -11.925 1.331 1.00 0.00 O ATOM 1376 CB LEU A 93 2.643 -9.969 2.816 1.00 0.00 C ATOM 1377 CG LEU A 93 1.722 -10.819 1.941 1.00 0.00 C ATOM 1378 CD1 LEU A 93 0.747 -11.608 2.801 1.00 0.00 C ATOM 1379 CD2 LEU A 93 0.972 -9.944 0.948 1.00 0.00 C ATOM 0 H LEU A 93 4.461 -8.583 3.781 1.00 0.00 H new ATOM 0 HA LEU A 93 4.052 -11.408 3.567 1.00 0.00 H new ATOM 0 HB2 LEU A 93 2.191 -9.878 3.803 1.00 0.00 H new ATOM 0 HB3 LEU A 93 2.689 -8.966 2.393 1.00 0.00 H new ATOM 0 HG LEU A 93 2.335 -11.525 1.381 1.00 0.00 H new ATOM 0 HD11 LEU A 93 0.100 -12.207 2.161 1.00 0.00 H new ATOM 0 HD12 LEU A 93 1.302 -12.264 3.472 1.00 0.00 H new ATOM 0 HD13 LEU A 93 0.140 -10.919 3.388 1.00 0.00 H new ATOM 0 HD21 LEU A 93 0.321 -10.566 0.334 1.00 0.00 H new ATOM 0 HD22 LEU A 93 0.371 -9.213 1.489 1.00 0.00 H new ATOM 0 HD23 LEU A 93 1.686 -9.424 0.309 1.00 0.00 H new ATOM 1391 N LEU A 94 4.791 -9.757 0.788 1.00 0.00 N ATOM 1392 CA LEU A 94 5.359 -9.910 -0.547 1.00 0.00 C ATOM 1393 C LEU A 94 6.728 -10.581 -0.482 1.00 0.00 C ATOM 1394 O LEU A 94 7.085 -11.368 -1.357 1.00 0.00 O ATOM 1395 CB LEU A 94 5.479 -8.547 -1.231 1.00 0.00 C ATOM 1396 CG LEU A 94 4.250 -7.641 -1.142 1.00 0.00 C ATOM 1397 CD1 LEU A 94 2.992 -8.468 -0.923 1.00 0.00 C ATOM 1398 CD2 LEU A 94 4.420 -6.620 -0.027 1.00 0.00 C ATOM 0 H LEU A 94 4.492 -8.808 1.013 1.00 0.00 H new ATOM 0 HA LEU A 94 4.691 -10.544 -1.129 1.00 0.00 H new ATOM 0 HB2 LEU A 94 6.328 -8.018 -0.797 1.00 0.00 H new ATOM 0 HB3 LEU A 94 5.710 -8.710 -2.284 1.00 0.00 H new ATOM 0 HG LEU A 94 4.148 -7.105 -2.086 1.00 0.00 H new ATOM 0 HD11 LEU A 94 2.128 -7.807 -0.862 1.00 0.00 H new ATOM 0 HD12 LEU A 94 2.862 -9.160 -1.755 1.00 0.00 H new ATOM 0 HD13 LEU A 94 3.084 -9.031 0.006 1.00 0.00 H new ATOM 0 HD21 LEU A 94 3.536 -5.984 0.022 1.00 0.00 H new ATOM 0 HD22 LEU A 94 4.548 -7.137 0.924 1.00 0.00 H new ATOM 0 HD23 LEU A 94 5.298 -6.006 -0.227 1.00 0.00 H new ATOM 1410 N GLN A 95 7.487 -10.264 0.562 1.00 0.00 N ATOM 1411 CA GLN A 95 8.816 -10.838 0.741 1.00 0.00 C ATOM 1412 C GLN A 95 8.750 -12.361 0.782 1.00 0.00 C ATOM 1413 O GLN A 95 9.730 -13.043 0.483 1.00 0.00 O ATOM 1414 CB GLN A 95 9.454 -10.309 2.026 1.00 0.00 C ATOM 1415 CG GLN A 95 10.242 -9.024 1.830 1.00 0.00 C ATOM 1416 CD GLN A 95 11.659 -9.121 2.361 1.00 0.00 C ATOM 1417 OE1 GLN A 95 12.325 -10.143 2.200 1.00 0.00 O ATOM 1418 NE2 GLN A 95 12.127 -8.054 2.998 1.00 0.00 N ATOM 0 H GLN A 95 7.205 -9.614 1.296 1.00 0.00 H new ATOM 0 HA GLN A 95 9.430 -10.542 -0.110 1.00 0.00 H new ATOM 0 HB2 GLN A 95 8.672 -10.137 2.766 1.00 0.00 H new ATOM 0 HB3 GLN A 95 10.116 -11.073 2.434 1.00 0.00 H new ATOM 0 HG2 GLN A 95 10.272 -8.779 0.768 1.00 0.00 H new ATOM 0 HG3 GLN A 95 9.725 -8.206 2.331 1.00 0.00 H new ATOM 0 HE21 GLN A 95 11.539 -7.228 3.108 1.00 0.00 H new ATOM 0 HE22 GLN A 95 13.074 -8.061 3.377 1.00 0.00 H new ATOM 1427 N ASN A 96 7.588 -12.889 1.154 1.00 0.00 N ATOM 1428 CA ASN A 96 7.395 -14.332 1.235 1.00 0.00 C ATOM 1429 C ASN A 96 7.034 -14.910 -0.130 1.00 0.00 C ATOM 1430 O ASN A 96 6.769 -16.105 -0.259 1.00 0.00 O ATOM 1431 CB ASN A 96 6.298 -14.665 2.248 1.00 0.00 C ATOM 1432 CG ASN A 96 6.794 -14.602 3.679 1.00 0.00 C ATOM 1433 OD1 ASN A 96 7.302 -15.587 4.216 1.00 0.00 O ATOM 1434 ND2 ASN A 96 6.649 -13.440 4.306 1.00 0.00 N ATOM 0 H ASN A 96 6.766 -12.339 1.404 1.00 0.00 H new ATOM 0 HA ASN A 96 8.332 -14.781 1.564 1.00 0.00 H new ATOM 0 HB2 ASN A 96 5.468 -13.969 2.123 1.00 0.00 H new ATOM 0 HB3 ASN A 96 5.910 -15.663 2.044 1.00 0.00 H new ATOM 0 HD21 ASN A 96 6.964 -13.338 5.271 1.00 0.00 H new ATOM 0 HD22 ASN A 96 6.222 -12.649 3.823 1.00 0.00 H new ATOM 1441 N ILE A 97 7.027 -14.053 -1.146 1.00 0.00 N ATOM 1442 CA ILE A 97 6.701 -14.479 -2.501 1.00 0.00 C ATOM 1443 C ILE A 97 7.910 -15.105 -3.187 1.00 0.00 C ATOM 1444 O ILE A 97 9.037 -14.631 -3.039 1.00 0.00 O ATOM 1445 CB ILE A 97 6.193 -13.301 -3.355 1.00 0.00 C ATOM 1446 CG1 ILE A 97 5.050 -12.579 -2.638 1.00 0.00 C ATOM 1447 CG2 ILE A 97 5.742 -13.793 -4.722 1.00 0.00 C ATOM 1448 CD1 ILE A 97 3.701 -13.233 -2.842 1.00 0.00 C ATOM 0 H ILE A 97 7.243 -13.060 -1.056 1.00 0.00 H new ATOM 0 HA ILE A 97 5.909 -15.223 -2.415 1.00 0.00 H new ATOM 0 HB ILE A 97 7.011 -12.595 -3.497 1.00 0.00 H new ATOM 0 HG12 ILE A 97 5.268 -12.540 -1.571 1.00 0.00 H new ATOM 0 HG13 ILE A 97 5.003 -11.549 -2.992 1.00 0.00 H new ATOM 0 HG21 ILE A 97 5.386 -12.949 -5.313 1.00 0.00 H new ATOM 0 HG22 ILE A 97 6.580 -14.266 -5.233 1.00 0.00 H new ATOM 0 HG23 ILE A 97 4.936 -14.517 -4.601 1.00 0.00 H new ATOM 0 HD11 ILE A 97 2.938 -12.668 -2.306 1.00 0.00 H new ATOM 0 HD12 ILE A 97 3.461 -13.248 -3.905 1.00 0.00 H new ATOM 0 HD13 ILE A 97 3.731 -14.254 -2.462 1.00 0.00 H new ATOM 1460 N THR A 98 7.670 -16.173 -3.941 1.00 0.00 N ATOM 1461 CA THR A 98 8.738 -16.864 -4.651 1.00 0.00 C ATOM 1462 C THR A 98 8.972 -16.250 -6.026 1.00 0.00 C ATOM 1463 O THR A 98 8.078 -15.624 -6.596 1.00 0.00 O ATOM 1464 CB THR A 98 8.425 -18.363 -4.817 1.00 0.00 C ATOM 1465 OG1 THR A 98 7.439 -18.766 -3.859 1.00 0.00 O ATOM 1466 CG2 THR A 98 9.682 -19.202 -4.641 1.00 0.00 C ATOM 0 H THR A 98 6.744 -16.578 -4.076 1.00 0.00 H new ATOM 0 HA THR A 98 9.640 -16.753 -4.049 1.00 0.00 H new ATOM 0 HB THR A 98 8.040 -18.522 -5.824 1.00 0.00 H new ATOM 0 HG1 THR A 98 7.244 -19.720 -3.972 1.00 0.00 H new ATOM 0 HG21 THR A 98 9.435 -20.257 -4.763 1.00 0.00 H new ATOM 0 HG22 THR A 98 10.420 -18.913 -5.389 1.00 0.00 H new ATOM 0 HG23 THR A 98 10.092 -19.038 -3.645 1.00 0.00 H new ATOM 1474 N ILE A 99 10.177 -16.434 -6.555 1.00 0.00 N ATOM 1475 CA ILE A 99 10.526 -15.899 -7.865 1.00 0.00 C ATOM 1476 C ILE A 99 9.706 -16.564 -8.966 1.00 0.00 C ATOM 1477 O ILE A 99 9.394 -17.751 -8.891 1.00 0.00 O ATOM 1478 CB ILE A 99 12.023 -16.089 -8.170 1.00 0.00 C ATOM 1479 CG1 ILE A 99 12.874 -15.332 -7.148 1.00 0.00 C ATOM 1480 CG2 ILE A 99 12.340 -15.621 -9.582 1.00 0.00 C ATOM 1481 CD1 ILE A 99 14.290 -15.852 -7.037 1.00 0.00 C ATOM 0 H ILE A 99 10.928 -16.950 -6.096 1.00 0.00 H new ATOM 0 HA ILE A 99 10.301 -14.833 -7.841 1.00 0.00 H new ATOM 0 HB ILE A 99 12.261 -17.150 -8.098 1.00 0.00 H new ATOM 0 HG12 ILE A 99 12.903 -14.277 -7.422 1.00 0.00 H new ATOM 0 HG13 ILE A 99 12.395 -15.395 -6.171 1.00 0.00 H new ATOM 0 HG21 ILE A 99 13.402 -15.762 -9.782 1.00 0.00 H new ATOM 0 HG22 ILE A 99 11.756 -16.200 -10.297 1.00 0.00 H new ATOM 0 HG23 ILE A 99 12.089 -14.565 -9.680 1.00 0.00 H new ATOM 0 HD11 ILE A 99 14.835 -15.269 -6.295 1.00 0.00 H new ATOM 0 HD12 ILE A 99 14.270 -16.899 -6.733 1.00 0.00 H new ATOM 0 HD13 ILE A 99 14.787 -15.764 -8.003 1.00 0.00 H new ATOM 1493 N GLY A 100 9.362 -15.789 -9.990 1.00 0.00 N ATOM 1494 CA GLY A 100 8.583 -16.320 -11.093 1.00 0.00 C ATOM 1495 C GLY A 100 7.218 -16.812 -10.655 1.00 0.00 C ATOM 1496 O GLY A 100 6.840 -17.950 -10.938 1.00 0.00 O ATOM 0 H GLY A 100 9.609 -14.803 -10.075 1.00 0.00 H new ATOM 0 HA2 GLY A 100 8.461 -15.548 -11.852 1.00 0.00 H new ATOM 0 HA3 GLY A 100 9.130 -17.141 -11.558 1.00 0.00 H new ATOM 1500 N THR A 101 6.476 -15.955 -9.961 1.00 0.00 N ATOM 1501 CA THR A 101 5.147 -16.310 -9.480 1.00 0.00 C ATOM 1502 C THR A 101 4.088 -15.374 -10.051 1.00 0.00 C ATOM 1503 O THR A 101 4.200 -14.153 -9.942 1.00 0.00 O ATOM 1504 CB THR A 101 5.076 -16.270 -7.942 1.00 0.00 C ATOM 1505 OG1 THR A 101 6.192 -16.971 -7.382 1.00 0.00 O ATOM 1506 CG2 THR A 101 3.780 -16.890 -7.444 1.00 0.00 C ATOM 0 H THR A 101 6.773 -15.010 -9.719 1.00 0.00 H new ATOM 0 HA THR A 101 4.950 -17.327 -9.818 1.00 0.00 H new ATOM 0 HB THR A 101 5.106 -15.227 -7.626 1.00 0.00 H new ATOM 0 HG1 THR A 101 6.772 -16.338 -6.909 1.00 0.00 H new ATOM 0 HG21 THR A 101 3.753 -16.850 -6.355 1.00 0.00 H new ATOM 0 HG22 THR A 101 2.933 -16.336 -7.849 1.00 0.00 H new ATOM 0 HG23 THR A 101 3.724 -17.928 -7.771 1.00 0.00 H new ATOM 1514 N VAL A 102 3.058 -15.954 -10.660 1.00 0.00 N ATOM 1515 CA VAL A 102 1.977 -15.170 -11.246 1.00 0.00 C ATOM 1516 C VAL A 102 0.938 -14.794 -10.196 1.00 0.00 C ATOM 1517 O VAL A 102 0.087 -15.606 -9.829 1.00 0.00 O ATOM 1518 CB VAL A 102 1.282 -15.938 -12.387 1.00 0.00 C ATOM 1519 CG1 VAL A 102 0.043 -15.192 -12.856 1.00 0.00 C ATOM 1520 CG2 VAL A 102 2.247 -16.164 -13.541 1.00 0.00 C ATOM 0 H VAL A 102 2.950 -16.963 -10.760 1.00 0.00 H new ATOM 0 HA VAL A 102 2.427 -14.263 -11.649 1.00 0.00 H new ATOM 0 HB VAL A 102 0.969 -16.911 -12.009 1.00 0.00 H new ATOM 0 HG11 VAL A 102 -0.434 -15.750 -13.662 1.00 0.00 H new ATOM 0 HG12 VAL A 102 -0.655 -15.087 -12.025 1.00 0.00 H new ATOM 0 HG13 VAL A 102 0.328 -14.204 -13.218 1.00 0.00 H new ATOM 0 HG21 VAL A 102 1.740 -16.708 -14.338 1.00 0.00 H new ATOM 0 HG22 VAL A 102 2.592 -15.202 -13.920 1.00 0.00 H new ATOM 0 HG23 VAL A 102 3.101 -16.744 -13.193 1.00 0.00 H new ATOM 1530 N LEU A 103 1.013 -13.558 -9.714 1.00 0.00 N ATOM 1531 CA LEU A 103 0.079 -13.072 -8.705 1.00 0.00 C ATOM 1532 C LEU A 103 -0.815 -11.975 -9.273 1.00 0.00 C ATOM 1533 O LEU A 103 -0.416 -11.245 -10.180 1.00 0.00 O ATOM 1534 CB LEU A 103 0.840 -12.546 -7.487 1.00 0.00 C ATOM 1535 CG LEU A 103 1.637 -13.583 -6.694 1.00 0.00 C ATOM 1536 CD1 LEU A 103 0.947 -14.937 -6.744 1.00 0.00 C ATOM 1537 CD2 LEU A 103 3.058 -13.685 -7.227 1.00 0.00 C ATOM 0 H LEU A 103 1.711 -12.874 -10.006 1.00 0.00 H new ATOM 0 HA LEU A 103 -0.552 -13.907 -8.399 1.00 0.00 H new ATOM 0 HB2 LEU A 103 1.526 -11.767 -7.821 1.00 0.00 H new ATOM 0 HB3 LEU A 103 0.125 -12.074 -6.813 1.00 0.00 H new ATOM 0 HG LEU A 103 1.684 -13.261 -5.654 1.00 0.00 H new ATOM 0 HD11 LEU A 103 1.528 -15.663 -6.175 1.00 0.00 H new ATOM 0 HD12 LEU A 103 -0.051 -14.853 -6.314 1.00 0.00 H new ATOM 0 HD13 LEU A 103 0.869 -15.267 -7.780 1.00 0.00 H new ATOM 0 HD21 LEU A 103 3.610 -14.427 -6.651 1.00 0.00 H new ATOM 0 HD22 LEU A 103 3.033 -13.984 -8.275 1.00 0.00 H new ATOM 0 HD23 LEU A 103 3.550 -12.717 -7.138 1.00 0.00 H new ATOM 1549 N GLN A 104 -2.024 -11.864 -8.732 1.00 0.00 N ATOM 1550 CA GLN A 104 -2.973 -10.854 -9.185 1.00 0.00 C ATOM 1551 C GLN A 104 -2.984 -9.655 -8.242 1.00 0.00 C ATOM 1552 O GLN A 104 -3.451 -9.751 -7.107 1.00 0.00 O ATOM 1553 CB GLN A 104 -4.378 -11.452 -9.286 1.00 0.00 C ATOM 1554 CG GLN A 104 -5.194 -10.897 -10.442 1.00 0.00 C ATOM 1555 CD GLN A 104 -6.577 -10.445 -10.015 1.00 0.00 C ATOM 1556 OE1 GLN A 104 -7.024 -10.738 -8.906 1.00 0.00 O ATOM 1557 NE2 GLN A 104 -7.262 -9.726 -10.896 1.00 0.00 N ATOM 0 H GLN A 104 -2.369 -12.461 -7.980 1.00 0.00 H new ATOM 0 HA GLN A 104 -2.659 -10.514 -10.172 1.00 0.00 H new ATOM 0 HB2 GLN A 104 -4.296 -12.533 -9.396 1.00 0.00 H new ATOM 0 HB3 GLN A 104 -4.911 -11.266 -8.354 1.00 0.00 H new ATOM 0 HG2 GLN A 104 -4.662 -10.056 -10.887 1.00 0.00 H new ATOM 0 HG3 GLN A 104 -5.288 -11.660 -11.215 1.00 0.00 H new ATOM 0 HE21 GLN A 104 -6.852 -9.507 -11.804 1.00 0.00 H new ATOM 0 HE22 GLN A 104 -8.198 -9.393 -10.665 1.00 0.00 H new ATOM 1566 N ILE A 105 -2.467 -8.528 -8.720 1.00 0.00 N ATOM 1567 CA ILE A 105 -2.419 -7.311 -7.919 1.00 0.00 C ATOM 1568 C ILE A 105 -3.590 -6.390 -8.247 1.00 0.00 C ATOM 1569 O ILE A 105 -3.545 -5.632 -9.215 1.00 0.00 O ATOM 1570 CB ILE A 105 -1.101 -6.545 -8.138 1.00 0.00 C ATOM 1571 CG1 ILE A 105 0.088 -7.507 -8.090 1.00 0.00 C ATOM 1572 CG2 ILE A 105 -0.945 -5.450 -7.094 1.00 0.00 C ATOM 1573 CD1 ILE A 105 -0.089 -8.637 -7.099 1.00 0.00 C ATOM 0 H ILE A 105 -2.076 -8.432 -9.657 1.00 0.00 H new ATOM 0 HA ILE A 105 -2.483 -7.618 -6.875 1.00 0.00 H new ATOM 0 HB ILE A 105 -1.128 -6.080 -9.123 1.00 0.00 H new ATOM 0 HG12 ILE A 105 0.246 -7.927 -9.083 1.00 0.00 H new ATOM 0 HG13 ILE A 105 0.988 -6.947 -7.834 1.00 0.00 H new ATOM 0 HG21 ILE A 105 -0.009 -4.918 -7.262 1.00 0.00 H new ATOM 0 HG22 ILE A 105 -1.778 -4.752 -7.172 1.00 0.00 H new ATOM 0 HG23 ILE A 105 -0.936 -5.895 -6.099 1.00 0.00 H new ATOM 0 HD11 ILE A 105 0.791 -9.279 -7.118 1.00 0.00 H new ATOM 0 HD12 ILE A 105 -0.216 -8.226 -6.098 1.00 0.00 H new ATOM 0 HD13 ILE A 105 -0.970 -9.221 -7.366 1.00 0.00 H new ATOM 1585 N LYS A 106 -4.637 -6.461 -7.432 1.00 0.00 N ATOM 1586 CA LYS A 106 -5.819 -5.632 -7.631 1.00 0.00 C ATOM 1587 C LYS A 106 -5.719 -4.339 -6.828 1.00 0.00 C ATOM 1588 O LYS A 106 -5.527 -4.365 -5.613 1.00 0.00 O ATOM 1589 CB LYS A 106 -7.080 -6.400 -7.227 1.00 0.00 C ATOM 1590 CG LYS A 106 -8.250 -6.188 -8.171 1.00 0.00 C ATOM 1591 CD LYS A 106 -9.579 -6.437 -7.477 1.00 0.00 C ATOM 1592 CE LYS A 106 -10.613 -7.002 -8.439 1.00 0.00 C ATOM 1593 NZ LYS A 106 -10.810 -8.465 -8.245 1.00 0.00 N ATOM 0 H LYS A 106 -4.691 -7.085 -6.627 1.00 0.00 H new ATOM 0 HA LYS A 106 -5.879 -5.378 -8.689 1.00 0.00 H new ATOM 0 HB2 LYS A 106 -6.848 -7.464 -7.182 1.00 0.00 H new ATOM 0 HB3 LYS A 106 -7.375 -6.095 -6.223 1.00 0.00 H new ATOM 0 HG2 LYS A 106 -8.226 -5.169 -8.558 1.00 0.00 H new ATOM 0 HG3 LYS A 106 -8.154 -6.857 -9.026 1.00 0.00 H new ATOM 0 HD2 LYS A 106 -9.434 -7.131 -6.649 1.00 0.00 H new ATOM 0 HD3 LYS A 106 -9.948 -5.504 -7.051 1.00 0.00 H new ATOM 0 HE2 LYS A 106 -11.562 -6.486 -8.296 1.00 0.00 H new ATOM 0 HE3 LYS A 106 -10.297 -6.811 -9.465 1.00 0.00 H new ATOM 0 HZ1 LYS A 106 -11.522 -8.812 -8.919 1.00 0.00 H new ATOM 0 HZ2 LYS A 106 -9.910 -8.961 -8.406 1.00 0.00 H new ATOM 0 HZ3 LYS A 106 -11.136 -8.646 -7.274 1.00 0.00 H new ATOM 1607 N ALA A 107 -5.853 -3.209 -7.515 1.00 0.00 N ATOM 1608 CA ALA A 107 -5.782 -1.907 -6.865 1.00 0.00 C ATOM 1609 C ALA A 107 -6.815 -0.947 -7.444 1.00 0.00 C ATOM 1610 O ALA A 107 -7.147 -1.016 -8.627 1.00 0.00 O ATOM 1611 CB ALA A 107 -4.383 -1.324 -7.003 1.00 0.00 C ATOM 0 H ALA A 107 -6.011 -3.170 -8.522 1.00 0.00 H new ATOM 0 HA ALA A 107 -6.005 -2.045 -5.807 1.00 0.00 H new ATOM 0 HB1 ALA A 107 -4.344 -0.351 -6.513 1.00 0.00 H new ATOM 0 HB2 ALA A 107 -3.662 -1.995 -6.536 1.00 0.00 H new ATOM 0 HB3 ALA A 107 -4.140 -1.208 -8.059 1.00 0.00 H new ATOM 1617 N TYR A 108 -7.321 -0.052 -6.602 1.00 0.00 N ATOM 1618 CA TYR A 108 -8.320 0.920 -7.029 1.00 0.00 C ATOM 1619 C TYR A 108 -7.657 2.144 -7.655 1.00 0.00 C ATOM 1620 O TYR A 108 -6.533 2.502 -7.304 1.00 0.00 O ATOM 1621 CB TYR A 108 -9.188 1.346 -5.844 1.00 0.00 C ATOM 1622 CG TYR A 108 -9.963 0.208 -5.220 1.00 0.00 C ATOM 1623 CD1 TYR A 108 -10.587 -0.749 -6.011 1.00 0.00 C ATOM 1624 CD2 TYR A 108 -10.070 0.088 -3.840 1.00 0.00 C ATOM 1625 CE1 TYR A 108 -11.297 -1.791 -5.445 1.00 0.00 C ATOM 1626 CE2 TYR A 108 -10.776 -0.951 -3.265 1.00 0.00 C ATOM 1627 CZ TYR A 108 -11.388 -1.887 -4.072 1.00 0.00 C ATOM 1628 OH TYR A 108 -12.093 -2.924 -3.505 1.00 0.00 O ATOM 0 H TYR A 108 -7.055 0.020 -5.620 1.00 0.00 H new ATOM 0 HA TYR A 108 -8.951 0.447 -7.781 1.00 0.00 H new ATOM 0 HB2 TYR A 108 -8.553 1.801 -5.084 1.00 0.00 H new ATOM 0 HB3 TYR A 108 -9.888 2.113 -6.175 1.00 0.00 H new ATOM 0 HD1 TYR A 108 -10.516 -0.677 -7.086 1.00 0.00 H new ATOM 0 HD2 TYR A 108 -9.593 0.820 -3.205 1.00 0.00 H new ATOM 0 HE1 TYR A 108 -11.778 -2.526 -6.074 1.00 0.00 H new ATOM 0 HE2 TYR A 108 -10.848 -1.030 -2.190 1.00 0.00 H new ATOM 0 HH TYR A 108 -12.059 -2.847 -2.529 1.00 0.00 H new ATOM 1638 N ARG A 109 -8.363 2.781 -8.583 1.00 0.00 N ATOM 1639 CA ARG A 109 -7.844 3.964 -9.259 1.00 0.00 C ATOM 1640 C ARG A 109 -8.500 5.231 -8.717 1.00 0.00 C ATOM 1641 O ARG A 109 -7.999 6.336 -8.919 1.00 0.00 O ATOM 1642 CB ARG A 109 -8.079 3.860 -10.767 1.00 0.00 C ATOM 1643 CG ARG A 109 -6.984 3.105 -11.503 1.00 0.00 C ATOM 1644 CD ARG A 109 -6.053 4.054 -12.242 1.00 0.00 C ATOM 1645 NE ARG A 109 -6.505 4.313 -13.606 1.00 0.00 N ATOM 1646 CZ ARG A 109 -6.139 5.377 -14.312 1.00 0.00 C ATOM 1647 NH1 ARG A 109 -5.319 6.276 -13.785 1.00 0.00 N ATOM 1648 NH2 ARG A 109 -6.592 5.544 -15.548 1.00 0.00 N ATOM 0 H ARG A 109 -9.296 2.498 -8.884 1.00 0.00 H new ATOM 0 HA ARG A 109 -6.772 4.020 -9.068 1.00 0.00 H new ATOM 0 HB2 ARG A 109 -9.033 3.364 -10.944 1.00 0.00 H new ATOM 0 HB3 ARG A 109 -8.160 4.864 -11.184 1.00 0.00 H new ATOM 0 HG2 ARG A 109 -6.410 2.510 -10.793 1.00 0.00 H new ATOM 0 HG3 ARG A 109 -7.433 2.409 -12.212 1.00 0.00 H new ATOM 0 HD2 ARG A 109 -5.988 4.996 -11.697 1.00 0.00 H new ATOM 0 HD3 ARG A 109 -5.049 3.630 -12.267 1.00 0.00 H new ATOM 0 HE ARG A 109 -7.136 3.640 -14.041 1.00 0.00 H new ATOM 0 HH11 ARG A 109 -4.968 6.151 -12.836 1.00 0.00 H new ATOM 0 HH12 ARG A 109 -5.039 7.092 -14.329 1.00 0.00 H new ATOM 0 HH21 ARG A 109 -7.222 4.855 -15.958 1.00 0.00 H new ATOM 0 HH22 ARG A 109 -6.310 6.362 -16.088 1.00 0.00 H new ATOM 1662 N GLY A 110 -9.624 5.061 -8.028 1.00 0.00 N ATOM 1663 CA GLY A 110 -10.330 6.199 -7.468 1.00 0.00 C ATOM 1664 C GLY A 110 -10.745 5.972 -6.028 1.00 0.00 C ATOM 1665 O GLY A 110 -11.796 6.447 -5.596 1.00 0.00 O ATOM 0 H GLY A 110 -10.058 4.156 -7.848 1.00 0.00 H new ATOM 0 HA2 GLY A 110 -9.693 7.082 -7.524 1.00 0.00 H new ATOM 0 HA3 GLY A 110 -11.215 6.406 -8.070 1.00 0.00 H new ATOM 1669 N PHE A 111 -9.920 5.244 -5.283 1.00 0.00 N ATOM 1670 CA PHE A 111 -10.209 4.953 -3.884 1.00 0.00 C ATOM 1671 C PHE A 111 -9.474 5.923 -2.964 1.00 0.00 C ATOM 1672 O PHE A 111 -10.090 6.774 -2.320 1.00 0.00 O ATOM 1673 CB PHE A 111 -9.813 3.514 -3.548 1.00 0.00 C ATOM 1674 CG PHE A 111 -10.185 3.099 -2.153 1.00 0.00 C ATOM 1675 CD1 PHE A 111 -11.513 3.060 -1.759 1.00 0.00 C ATOM 1676 CD2 PHE A 111 -9.207 2.749 -1.236 1.00 0.00 C ATOM 1677 CE1 PHE A 111 -11.859 2.679 -0.476 1.00 0.00 C ATOM 1678 CE2 PHE A 111 -9.548 2.366 0.048 1.00 0.00 C ATOM 1679 CZ PHE A 111 -10.875 2.333 0.429 1.00 0.00 C ATOM 0 H PHE A 111 -9.046 4.845 -5.625 1.00 0.00 H new ATOM 0 HA PHE A 111 -11.281 5.073 -3.728 1.00 0.00 H new ATOM 0 HB2 PHE A 111 -10.290 2.839 -4.259 1.00 0.00 H new ATOM 0 HB3 PHE A 111 -8.736 3.403 -3.677 1.00 0.00 H new ATOM 0 HD1 PHE A 111 -12.287 3.330 -2.462 1.00 0.00 H new ATOM 0 HD2 PHE A 111 -8.167 2.776 -1.527 1.00 0.00 H new ATOM 0 HE1 PHE A 111 -12.898 2.652 -0.182 1.00 0.00 H new ATOM 0 HE2 PHE A 111 -8.777 2.093 0.753 1.00 0.00 H new ATOM 0 HZ PHE A 111 -11.143 2.037 1.433 1.00 0.00 H new ATOM 1689 N LEU A 112 -8.154 5.788 -2.906 1.00 0.00 N ATOM 1690 CA LEU A 112 -7.333 6.652 -2.064 1.00 0.00 C ATOM 1691 C LEU A 112 -6.483 7.592 -2.913 1.00 0.00 C ATOM 1692 O LEU A 112 -5.522 7.166 -3.553 1.00 0.00 O ATOM 1693 CB LEU A 112 -6.433 5.809 -1.159 1.00 0.00 C ATOM 1694 CG LEU A 112 -6.336 6.260 0.299 1.00 0.00 C ATOM 1695 CD1 LEU A 112 -7.598 5.882 1.059 1.00 0.00 C ATOM 1696 CD2 LEU A 112 -5.109 5.654 0.964 1.00 0.00 C ATOM 0 H LEU A 112 -7.629 5.089 -3.432 1.00 0.00 H new ATOM 0 HA LEU A 112 -7.999 7.254 -1.445 1.00 0.00 H new ATOM 0 HB2 LEU A 112 -6.794 4.781 -1.177 1.00 0.00 H new ATOM 0 HB3 LEU A 112 -5.429 5.802 -1.584 1.00 0.00 H new ATOM 0 HG LEU A 112 -6.236 7.345 0.318 1.00 0.00 H new ATOM 0 HD11 LEU A 112 -7.511 6.211 2.095 1.00 0.00 H new ATOM 0 HD12 LEU A 112 -8.459 6.364 0.596 1.00 0.00 H new ATOM 0 HD13 LEU A 112 -7.729 4.800 1.031 1.00 0.00 H new ATOM 0 HD21 LEU A 112 -5.056 5.986 2.001 1.00 0.00 H new ATOM 0 HD22 LEU A 112 -5.179 4.567 0.934 1.00 0.00 H new ATOM 0 HD23 LEU A 112 -4.212 5.975 0.434 1.00 0.00 H new ATOM 1708 N GLU A 113 -6.844 8.871 -2.912 1.00 0.00 N ATOM 1709 CA GLU A 113 -6.112 9.871 -3.682 1.00 0.00 C ATOM 1710 C GLU A 113 -4.680 10.007 -3.174 1.00 0.00 C ATOM 1711 O GLU A 113 -4.404 9.780 -1.996 1.00 0.00 O ATOM 1712 CB GLU A 113 -6.823 11.224 -3.608 1.00 0.00 C ATOM 1713 CG GLU A 113 -7.608 11.568 -4.862 1.00 0.00 C ATOM 1714 CD GLU A 113 -9.031 11.045 -4.822 1.00 0.00 C ATOM 1715 OE1 GLU A 113 -9.811 11.511 -3.966 1.00 0.00 O ATOM 1716 OE2 GLU A 113 -9.363 10.168 -5.647 1.00 0.00 O ATOM 0 H GLU A 113 -7.638 9.239 -2.388 1.00 0.00 H new ATOM 0 HA GLU A 113 -6.080 9.542 -4.721 1.00 0.00 H new ATOM 0 HB2 GLU A 113 -7.501 11.223 -2.754 1.00 0.00 H new ATOM 0 HB3 GLU A 113 -6.084 12.004 -3.427 1.00 0.00 H new ATOM 0 HG2 GLU A 113 -7.626 12.650 -4.989 1.00 0.00 H new ATOM 0 HG3 GLU A 113 -7.097 11.154 -5.731 1.00 0.00 H new ATOM 1723 N ILE A 114 -3.773 10.380 -4.071 1.00 0.00 N ATOM 1724 CA ILE A 114 -2.370 10.547 -3.715 1.00 0.00 C ATOM 1725 C ILE A 114 -2.154 11.832 -2.922 1.00 0.00 C ATOM 1726 O ILE A 114 -2.657 12.899 -3.273 1.00 0.00 O ATOM 1727 CB ILE A 114 -1.471 10.571 -4.965 1.00 0.00 C ATOM 1728 CG1 ILE A 114 -1.621 9.268 -5.752 1.00 0.00 C ATOM 1729 CG2 ILE A 114 -0.018 10.791 -4.568 1.00 0.00 C ATOM 1730 CD1 ILE A 114 -0.746 9.202 -6.985 1.00 0.00 C ATOM 0 H ILE A 114 -3.985 10.572 -5.050 1.00 0.00 H new ATOM 0 HA ILE A 114 -2.097 9.691 -3.098 1.00 0.00 H new ATOM 0 HB ILE A 114 -1.783 11.398 -5.603 1.00 0.00 H new ATOM 0 HG12 ILE A 114 -1.379 8.429 -5.099 1.00 0.00 H new ATOM 0 HG13 ILE A 114 -2.663 9.150 -6.049 1.00 0.00 H new ATOM 0 HG21 ILE A 114 0.605 10.806 -5.462 1.00 0.00 H new ATOM 0 HG22 ILE A 114 0.076 11.742 -4.045 1.00 0.00 H new ATOM 0 HG23 ILE A 114 0.307 9.983 -3.913 1.00 0.00 H new ATOM 0 HD11 ILE A 114 -0.905 8.251 -7.493 1.00 0.00 H new ATOM 0 HD12 ILE A 114 -1.003 10.020 -7.658 1.00 0.00 H new ATOM 0 HD13 ILE A 114 0.301 9.287 -6.693 1.00 0.00 H new ATOM 1742 N PRO A 115 -1.385 11.730 -1.828 1.00 0.00 N ATOM 1743 CA PRO A 115 -1.082 12.875 -0.964 1.00 0.00 C ATOM 1744 C PRO A 115 -0.158 13.882 -1.639 1.00 0.00 C ATOM 1745 O PRO A 115 0.964 13.549 -2.019 1.00 0.00 O ATOM 1746 CB PRO A 115 -0.388 12.235 0.241 1.00 0.00 C ATOM 1747 CG PRO A 115 0.194 10.969 -0.284 1.00 0.00 C ATOM 1748 CD PRO A 115 -0.753 10.489 -1.350 1.00 0.00 C ATOM 0 HA PRO A 115 -1.978 13.440 -0.707 1.00 0.00 H new ATOM 0 HB2 PRO A 115 0.385 12.888 0.645 1.00 0.00 H new ATOM 0 HB3 PRO A 115 -1.095 12.041 1.048 1.00 0.00 H new ATOM 0 HG2 PRO A 115 1.190 11.138 -0.694 1.00 0.00 H new ATOM 0 HG3 PRO A 115 0.297 10.228 0.509 1.00 0.00 H new ATOM 0 HD2 PRO A 115 -0.227 9.971 -2.152 1.00 0.00 H new ATOM 0 HD3 PRO A 115 -1.489 9.792 -0.950 1.00 0.00 H new