USER MOD reduce.3.24.130724 H: found=0, std=0, add=612, rem=0, adj=12 USER MOD reduce.3.24.130724 removed 610 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 86 THR OG1 : rot 180:sc= 0.0522 USER MOD Set 1.2: A 89 GLN : amide:sc= 0 X(o=0.052,f=0.052) USER MOD Set 2.1: A 38 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Set 2.2: A 97 THR OG1 : rot 180:sc= 0 USER MOD Single : A 31 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 34 LYS NZ :NH3+ -148:sc= 0 (180deg=-0.0928) USER MOD Single : A 36 THR OG1 : rot 93:sc= 0.275 USER MOD Single : A 39 THR OG1 : rot -174:sc= 1.18! USER MOD Single : A 41 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 43 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 51 ASN : amide:sc= 0.292 X(o=0.29,f=-0.036) USER MOD Single : A 52 SER OG : rot -109:sc= -0.764 USER MOD Single : A 53 SER OG : rot 180:sc= 0 USER MOD Single : A 55 GLN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 56 GLN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 58 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 62 SER OG : rot 180:sc= -0.0467 USER MOD Single : A 63 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 66 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 67 SER OG : rot 180:sc= 0 USER MOD Single : A 68 GLN : amide:sc= -0.436 X(o=-0.44,f=-0.27) USER MOD Single : A 69 THR OG1 : rot 180:sc= 0 USER MOD Single : A 71 GLN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 79 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 82 LYS NZ :NH3+ -150:sc= 0.318 (180deg=0.164) USER MOD Single : A 84 GLN : amide:sc= -2.07 K(o=-2.1,f=-2.7!) USER MOD Single : A 90 HIS : no HE2:sc= 0.465 K(o=0.47,f=-2.3!) USER MOD Single : A 93 HIS : no HD1:sc= -0.0227 X(o=-0.023,f=-0.31) USER MOD Single : A 99 HIS : no HD1:sc= 0 X(o=0,f=0) USER MOD ----------------------------------------------------------------- ATOM 380 N LYS A 31 5.204 -5.566 -10.304 1.00 0.00 N ATOM 381 CA LYS A 31 6.206 -4.865 -9.443 1.00 0.00 C ATOM 382 C LYS A 31 5.911 -3.368 -9.501 1.00 0.00 C ATOM 383 O LYS A 31 6.786 -2.546 -9.695 1.00 0.00 O ATOM 384 CB LYS A 31 7.567 -5.182 -10.065 1.00 0.00 C ATOM 385 CG LYS A 31 8.138 -6.455 -9.429 1.00 0.00 C ATOM 386 CD LYS A 31 8.310 -7.534 -10.502 1.00 0.00 C ATOM 387 CE LYS A 31 9.548 -7.224 -11.344 1.00 0.00 C ATOM 388 NZ LYS A 31 10.645 -8.014 -10.718 1.00 0.00 N ATOM 0 HA LYS A 31 6.179 -5.177 -8.399 1.00 0.00 H new ATOM 0 HB2 LYS A 31 7.464 -5.316 -11.142 1.00 0.00 H new ATOM 0 HB3 LYS A 31 8.252 -4.348 -9.912 1.00 0.00 H new ATOM 0 HG2 LYS A 31 9.097 -6.240 -8.959 1.00 0.00 H new ATOM 0 HG3 LYS A 31 7.471 -6.812 -8.644 1.00 0.00 H new ATOM 0 HD2 LYS A 31 8.411 -8.514 -10.035 1.00 0.00 H new ATOM 0 HD3 LYS A 31 7.425 -7.574 -11.138 1.00 0.00 H new ATOM 0 HE2 LYS A 31 9.399 -7.510 -12.385 1.00 0.00 H new ATOM 0 HE3 LYS A 31 9.775 -6.158 -11.336 1.00 0.00 H new ATOM 0 HZ1 LYS A 31 11.530 -7.854 -11.241 1.00 0.00 H new ATOM 0 HZ2 LYS A 31 10.768 -7.715 -9.729 1.00 0.00 H new ATOM 0 HZ3 LYS A 31 10.404 -9.025 -10.746 1.00 0.00 H new ATOM 402 N ILE A 32 4.657 -3.029 -9.383 1.00 0.00 N ATOM 403 CA ILE A 32 4.243 -1.605 -9.483 1.00 0.00 C ATOM 404 C ILE A 32 4.963 -0.746 -8.429 1.00 0.00 C ATOM 405 O ILE A 32 4.969 -1.060 -7.255 1.00 0.00 O ATOM 406 CB ILE A 32 2.720 -1.637 -9.251 1.00 0.00 C ATOM 407 CG1 ILE A 32 2.066 -0.456 -9.973 1.00 0.00 C ATOM 408 CG2 ILE A 32 2.397 -1.560 -7.755 1.00 0.00 C ATOM 409 CD1 ILE A 32 1.608 -0.904 -11.364 1.00 0.00 C ATOM 0 H ILE A 32 3.895 -3.687 -9.220 1.00 0.00 H new ATOM 0 HA ILE A 32 4.500 -1.158 -10.443 1.00 0.00 H new ATOM 0 HB ILE A 32 2.330 -2.575 -9.645 1.00 0.00 H new ATOM 0 HG12 ILE A 32 1.216 -0.089 -9.398 1.00 0.00 H new ATOM 0 HG13 ILE A 32 2.773 0.369 -10.059 1.00 0.00 H new ATOM 0 HG21 ILE A 32 1.316 -1.584 -7.614 1.00 0.00 H new ATOM 0 HG22 ILE A 32 2.849 -2.408 -7.241 1.00 0.00 H new ATOM 0 HG23 ILE A 32 2.796 -0.633 -7.344 1.00 0.00 H new ATOM 0 HD11 ILE A 32 1.142 -0.065 -11.881 1.00 0.00 H new ATOM 0 HD12 ILE A 32 2.469 -1.250 -11.936 1.00 0.00 H new ATOM 0 HD13 ILE A 32 0.887 -1.716 -11.266 1.00 0.00 H new ATOM 421 N ILE A 33 5.568 0.338 -8.846 1.00 0.00 N ATOM 422 CA ILE A 33 6.280 1.218 -7.870 1.00 0.00 C ATOM 423 C ILE A 33 5.381 2.399 -7.488 1.00 0.00 C ATOM 424 O ILE A 33 4.442 2.727 -8.189 1.00 0.00 O ATOM 425 CB ILE A 33 7.557 1.693 -8.579 1.00 0.00 C ATOM 426 CG1 ILE A 33 7.205 2.646 -9.730 1.00 0.00 C ATOM 427 CG2 ILE A 33 8.313 0.478 -9.130 1.00 0.00 C ATOM 428 CD1 ILE A 33 8.472 2.995 -10.513 1.00 0.00 C ATOM 0 H ILE A 33 5.600 0.651 -9.816 1.00 0.00 H new ATOM 0 HA ILE A 33 6.527 0.694 -6.947 1.00 0.00 H new ATOM 0 HB ILE A 33 8.184 2.224 -7.863 1.00 0.00 H new ATOM 0 HG12 ILE A 33 6.474 2.180 -10.391 1.00 0.00 H new ATOM 0 HG13 ILE A 33 6.747 3.554 -9.337 1.00 0.00 H new ATOM 0 HG21 ILE A 33 9.220 0.812 -9.634 1.00 0.00 H new ATOM 0 HG22 ILE A 33 8.578 -0.188 -8.309 1.00 0.00 H new ATOM 0 HG23 ILE A 33 7.679 -0.054 -9.839 1.00 0.00 H new ATOM 0 HD11 ILE A 33 8.220 3.672 -11.330 1.00 0.00 H new ATOM 0 HD12 ILE A 33 9.188 3.479 -9.849 1.00 0.00 H new ATOM 0 HD13 ILE A 33 8.911 2.084 -10.919 1.00 0.00 H new ATOM 440 N LYS A 34 5.652 3.031 -6.376 1.00 0.00 N ATOM 441 CA LYS A 34 4.804 4.180 -5.944 1.00 0.00 C ATOM 442 C LYS A 34 5.372 5.497 -6.478 1.00 0.00 C ATOM 443 O LYS A 34 6.570 5.679 -6.563 1.00 0.00 O ATOM 444 CB LYS A 34 4.857 4.158 -4.416 1.00 0.00 C ATOM 445 CG LYS A 34 4.236 2.859 -3.900 1.00 0.00 C ATOM 446 CD LYS A 34 2.712 2.941 -4.011 1.00 0.00 C ATOM 447 CE LYS A 34 2.071 2.162 -2.860 1.00 0.00 C ATOM 448 NZ LYS A 34 2.307 0.727 -3.183 1.00 0.00 N ATOM 0 H LYS A 34 6.423 2.801 -5.749 1.00 0.00 H new ATOM 0 HA LYS A 34 3.785 4.100 -6.322 1.00 0.00 H new ATOM 0 HB2 LYS A 34 5.890 4.239 -4.077 1.00 0.00 H new ATOM 0 HB3 LYS A 34 4.320 5.016 -4.011 1.00 0.00 H new ATOM 0 HG2 LYS A 34 4.608 2.012 -4.476 1.00 0.00 H new ATOM 0 HG3 LYS A 34 4.527 2.691 -2.863 1.00 0.00 H new ATOM 0 HD2 LYS A 34 2.391 3.982 -3.982 1.00 0.00 H new ATOM 0 HD3 LYS A 34 2.384 2.533 -4.967 1.00 0.00 H new ATOM 0 HE2 LYS A 34 2.521 2.430 -1.904 1.00 0.00 H new ATOM 0 HE3 LYS A 34 1.006 2.379 -2.783 1.00 0.00 H new ATOM 0 HZ1 LYS A 34 1.516 0.155 -2.822 1.00 0.00 H new ATOM 0 HZ2 LYS A 34 2.377 0.610 -4.214 1.00 0.00 H new ATOM 0 HZ3 LYS A 34 3.193 0.412 -2.738 1.00 0.00 H new ATOM 462 N VAL A 35 4.516 6.414 -6.836 1.00 0.00 N ATOM 463 CA VAL A 35 4.998 7.724 -7.363 1.00 0.00 C ATOM 464 C VAL A 35 4.179 8.865 -6.754 1.00 0.00 C ATOM 465 O VAL A 35 2.998 8.995 -7.008 1.00 0.00 O ATOM 466 CB VAL A 35 4.773 7.650 -8.875 1.00 0.00 C ATOM 467 CG1 VAL A 35 5.250 8.949 -9.528 1.00 0.00 C ATOM 468 CG2 VAL A 35 5.562 6.472 -9.453 1.00 0.00 C ATOM 0 H VAL A 35 3.502 6.314 -6.787 1.00 0.00 H new ATOM 0 HA VAL A 35 6.043 7.912 -7.117 1.00 0.00 H new ATOM 0 HB VAL A 35 3.711 7.510 -9.075 1.00 0.00 H new ATOM 0 HG11 VAL A 35 5.089 8.895 -10.605 1.00 0.00 H new ATOM 0 HG12 VAL A 35 4.689 9.789 -9.119 1.00 0.00 H new ATOM 0 HG13 VAL A 35 6.312 9.089 -9.326 1.00 0.00 H new ATOM 0 HG21 VAL A 35 5.401 6.420 -10.530 1.00 0.00 H new ATOM 0 HG22 VAL A 35 6.624 6.611 -9.251 1.00 0.00 H new ATOM 0 HG23 VAL A 35 5.223 5.545 -8.990 1.00 0.00 H new ATOM 478 N THR A 36 4.796 9.693 -5.956 1.00 0.00 N ATOM 479 CA THR A 36 4.048 10.824 -5.334 1.00 0.00 C ATOM 480 C THR A 36 4.120 12.061 -6.232 1.00 0.00 C ATOM 481 O THR A 36 5.123 12.746 -6.282 1.00 0.00 O ATOM 482 CB THR A 36 4.749 11.084 -4.000 1.00 0.00 C ATOM 483 OG1 THR A 36 4.957 9.850 -3.328 1.00 0.00 O ATOM 484 CG2 THR A 36 3.878 11.998 -3.135 1.00 0.00 C ATOM 0 H THR A 36 5.784 9.636 -5.708 1.00 0.00 H new ATOM 0 HA THR A 36 2.992 10.593 -5.196 1.00 0.00 H new ATOM 0 HB THR A 36 5.710 11.566 -4.181 1.00 0.00 H new ATOM 0 HG1 THR A 36 5.844 9.500 -3.554 1.00 0.00 H new ATOM 0 HG21 THR A 36 4.378 12.183 -2.184 1.00 0.00 H new ATOM 0 HG22 THR A 36 3.719 12.944 -3.652 1.00 0.00 H new ATOM 0 HG23 THR A 36 2.917 11.518 -2.952 1.00 0.00 H new ATOM 492 N VAL A 37 3.062 12.348 -6.943 1.00 0.00 N ATOM 493 CA VAL A 37 3.065 13.539 -7.842 1.00 0.00 C ATOM 494 C VAL A 37 2.381 14.721 -7.152 1.00 0.00 C ATOM 495 O VAL A 37 1.270 14.612 -6.672 1.00 0.00 O ATOM 496 CB VAL A 37 2.273 13.107 -9.079 1.00 0.00 C ATOM 497 CG1 VAL A 37 2.225 14.258 -10.085 1.00 0.00 C ATOM 498 CG2 VAL A 37 2.952 11.896 -9.726 1.00 0.00 C ATOM 0 H VAL A 37 2.196 11.809 -6.940 1.00 0.00 H new ATOM 0 HA VAL A 37 4.074 13.861 -8.098 1.00 0.00 H new ATOM 0 HB VAL A 37 1.259 12.841 -8.782 1.00 0.00 H new ATOM 0 HG11 VAL A 37 1.661 13.949 -10.965 1.00 0.00 H new ATOM 0 HG12 VAL A 37 1.740 15.121 -9.628 1.00 0.00 H new ATOM 0 HG13 VAL A 37 3.240 14.526 -10.380 1.00 0.00 H new ATOM 0 HG21 VAL A 37 2.387 11.589 -10.606 1.00 0.00 H new ATOM 0 HG22 VAL A 37 3.967 12.162 -10.021 1.00 0.00 H new ATOM 0 HG23 VAL A 37 2.986 11.073 -9.012 1.00 0.00 H new ATOM 508 N LYS A 38 3.034 15.850 -7.105 1.00 0.00 N ATOM 509 CA LYS A 38 2.420 17.041 -6.449 1.00 0.00 C ATOM 510 C LYS A 38 1.977 18.051 -7.510 1.00 0.00 C ATOM 511 O LYS A 38 2.768 18.512 -8.309 1.00 0.00 O ATOM 512 CB LYS A 38 3.528 17.630 -5.572 1.00 0.00 C ATOM 513 CG LYS A 38 3.077 17.636 -4.109 1.00 0.00 C ATOM 514 CD LYS A 38 4.292 17.436 -3.199 1.00 0.00 C ATOM 515 CE LYS A 38 3.833 16.890 -1.843 1.00 0.00 C ATOM 516 NZ LYS A 38 4.385 15.507 -1.779 1.00 0.00 N ATOM 0 H LYS A 38 3.966 16.000 -7.492 1.00 0.00 H new ATOM 0 HA LYS A 38 1.537 16.784 -5.864 1.00 0.00 H new ATOM 0 HB2 LYS A 38 4.441 17.044 -5.679 1.00 0.00 H new ATOM 0 HB3 LYS A 38 3.761 18.645 -5.895 1.00 0.00 H new ATOM 0 HG2 LYS A 38 2.584 18.579 -3.873 1.00 0.00 H new ATOM 0 HG3 LYS A 38 2.348 16.844 -3.939 1.00 0.00 H new ATOM 0 HD2 LYS A 38 4.996 16.744 -3.662 1.00 0.00 H new ATOM 0 HD3 LYS A 38 4.817 18.382 -3.063 1.00 0.00 H new ATOM 0 HE2 LYS A 38 4.207 17.503 -1.023 1.00 0.00 H new ATOM 0 HE3 LYS A 38 2.746 16.885 -1.767 1.00 0.00 H new ATOM 0 HZ1 LYS A 38 4.113 15.066 -0.877 1.00 0.00 H new ATOM 0 HZ2 LYS A 38 4.006 14.945 -2.568 1.00 0.00 H new ATOM 0 HZ3 LYS A 38 5.422 15.544 -1.847 1.00 0.00 H new ATOM 530 N THR A 39 0.718 18.398 -7.522 1.00 0.00 N ATOM 531 CA THR A 39 0.222 19.379 -8.530 1.00 0.00 C ATOM 532 C THR A 39 -0.299 20.635 -7.820 1.00 0.00 C ATOM 533 O THR A 39 -0.538 20.612 -6.630 1.00 0.00 O ATOM 534 CB THR A 39 -0.915 18.655 -9.256 1.00 0.00 C ATOM 535 OG1 THR A 39 -1.919 18.295 -8.318 1.00 0.00 O ATOM 536 CG2 THR A 39 -0.372 17.396 -9.937 1.00 0.00 C ATOM 0 H THR A 39 0.011 18.044 -6.877 1.00 0.00 H new ATOM 0 HA THR A 39 1.001 19.703 -9.220 1.00 0.00 H new ATOM 0 HB THR A 39 -1.342 19.315 -10.011 1.00 0.00 H new ATOM 0 HG1 THR A 39 -2.599 17.745 -8.761 1.00 0.00 H new ATOM 0 HG21 THR A 39 -1.183 16.883 -10.453 1.00 0.00 H new ATOM 0 HG22 THR A 39 0.397 17.675 -10.657 1.00 0.00 H new ATOM 0 HG23 THR A 39 0.058 16.733 -9.186 1.00 0.00 H new ATOM 544 N PRO A 40 -0.456 21.695 -8.571 1.00 0.00 N ATOM 545 CA PRO A 40 -0.954 22.967 -7.987 1.00 0.00 C ATOM 546 C PRO A 40 -2.441 22.852 -7.634 1.00 0.00 C ATOM 547 O PRO A 40 -3.266 23.592 -8.131 1.00 0.00 O ATOM 548 CB PRO A 40 -0.732 23.985 -9.103 1.00 0.00 C ATOM 549 CG PRO A 40 -0.727 23.182 -10.364 1.00 0.00 C ATOM 550 CD PRO A 40 -0.194 21.817 -10.012 1.00 0.00 C ATOM 0 HA PRO A 40 -0.447 23.241 -7.062 1.00 0.00 H new ATOM 0 HB2 PRO A 40 -1.523 24.735 -9.116 1.00 0.00 H new ATOM 0 HB3 PRO A 40 0.210 24.517 -8.970 1.00 0.00 H new ATOM 0 HG2 PRO A 40 -1.732 23.109 -10.779 1.00 0.00 H new ATOM 0 HG3 PRO A 40 -0.103 23.657 -11.121 1.00 0.00 H new ATOM 0 HD2 PRO A 40 -0.698 21.033 -10.577 1.00 0.00 H new ATOM 0 HD3 PRO A 40 0.870 21.735 -10.233 1.00 0.00 H new ATOM 558 N LYS A 41 -2.784 21.929 -6.773 1.00 0.00 N ATOM 559 CA LYS A 41 -4.213 21.756 -6.374 1.00 0.00 C ATOM 560 C LYS A 41 -4.320 20.688 -5.283 1.00 0.00 C ATOM 561 O LYS A 41 -5.086 20.815 -4.349 1.00 0.00 O ATOM 562 CB LYS A 41 -4.936 21.296 -7.643 1.00 0.00 C ATOM 563 CG LYS A 41 -6.436 21.176 -7.363 1.00 0.00 C ATOM 564 CD LYS A 41 -7.010 22.561 -7.050 1.00 0.00 C ATOM 565 CE LYS A 41 -8.437 22.661 -7.595 1.00 0.00 C ATOM 566 NZ LYS A 41 -8.321 23.489 -8.828 1.00 0.00 N ATOM 0 H LYS A 41 -2.132 21.284 -6.327 1.00 0.00 H new ATOM 0 HA LYS A 41 -4.644 22.674 -5.975 1.00 0.00 H new ATOM 0 HB2 LYS A 41 -4.762 22.007 -8.451 1.00 0.00 H new ATOM 0 HB3 LYS A 41 -4.539 20.336 -7.972 1.00 0.00 H new ATOM 0 HG2 LYS A 41 -6.945 20.747 -8.226 1.00 0.00 H new ATOM 0 HG3 LYS A 41 -6.607 20.502 -6.524 1.00 0.00 H new ATOM 0 HD2 LYS A 41 -7.008 22.732 -5.973 1.00 0.00 H new ATOM 0 HD3 LYS A 41 -6.385 23.334 -7.496 1.00 0.00 H new ATOM 0 HE2 LYS A 41 -8.844 21.675 -7.819 1.00 0.00 H new ATOM 0 HE3 LYS A 41 -9.105 23.125 -6.869 1.00 0.00 H new ATOM 0 HZ1 LYS A 41 -9.260 23.603 -9.260 1.00 0.00 H new ATOM 0 HZ2 LYS A 41 -7.937 24.424 -8.583 1.00 0.00 H new ATOM 0 HZ3 LYS A 41 -7.684 23.019 -9.503 1.00 0.00 H new ATOM 580 N GLU A 42 -3.552 19.635 -5.398 1.00 0.00 N ATOM 581 CA GLU A 42 -3.602 18.552 -4.370 1.00 0.00 C ATOM 582 C GLU A 42 -2.471 17.546 -4.607 1.00 0.00 C ATOM 583 O GLU A 42 -1.761 17.616 -5.591 1.00 0.00 O ATOM 584 CB GLU A 42 -4.965 17.882 -4.557 1.00 0.00 C ATOM 585 CG GLU A 42 -5.089 17.340 -5.985 1.00 0.00 C ATOM 586 CD GLU A 42 -6.538 17.468 -6.458 1.00 0.00 C ATOM 587 OE1 GLU A 42 -7.419 17.052 -5.724 1.00 0.00 O ATOM 588 OE2 GLU A 42 -6.742 17.978 -7.547 1.00 0.00 O ATOM 0 H GLU A 42 -2.892 19.478 -6.160 1.00 0.00 H new ATOM 0 HA GLU A 42 -3.477 18.939 -3.359 1.00 0.00 H new ATOM 0 HB2 GLU A 42 -5.082 17.070 -3.839 1.00 0.00 H new ATOM 0 HB3 GLU A 42 -5.762 18.599 -4.360 1.00 0.00 H new ATOM 0 HG2 GLU A 42 -4.428 17.892 -6.653 1.00 0.00 H new ATOM 0 HG3 GLU A 42 -4.776 16.296 -6.017 1.00 0.00 H new ATOM 595 N LYS A 43 -2.303 16.609 -3.713 1.00 0.00 N ATOM 596 CA LYS A 43 -1.222 15.595 -3.886 1.00 0.00 C ATOM 597 C LYS A 43 -1.831 14.226 -4.200 1.00 0.00 C ATOM 598 O LYS A 43 -2.592 13.684 -3.423 1.00 0.00 O ATOM 599 CB LYS A 43 -0.491 15.562 -2.543 1.00 0.00 C ATOM 600 CG LYS A 43 0.778 14.714 -2.668 1.00 0.00 C ATOM 601 CD LYS A 43 0.651 13.465 -1.793 1.00 0.00 C ATOM 602 CE LYS A 43 1.128 13.784 -0.373 1.00 0.00 C ATOM 603 NZ LYS A 43 0.049 13.278 0.520 1.00 0.00 N ATOM 0 H LYS A 43 -2.867 16.502 -2.870 1.00 0.00 H new ATOM 0 HA LYS A 43 -0.550 15.841 -4.708 1.00 0.00 H new ATOM 0 HB2 LYS A 43 -0.234 16.575 -2.233 1.00 0.00 H new ATOM 0 HB3 LYS A 43 -1.142 15.148 -1.773 1.00 0.00 H new ATOM 0 HG2 LYS A 43 0.934 14.427 -3.708 1.00 0.00 H new ATOM 0 HG3 LYS A 43 1.648 15.296 -2.364 1.00 0.00 H new ATOM 0 HD2 LYS A 43 -0.385 13.127 -1.772 1.00 0.00 H new ATOM 0 HD3 LYS A 43 1.244 12.652 -2.213 1.00 0.00 H new ATOM 0 HE2 LYS A 43 2.079 13.297 -0.158 1.00 0.00 H new ATOM 0 HE3 LYS A 43 1.281 14.855 -0.239 1.00 0.00 H new ATOM 0 HZ1 LYS A 43 0.305 13.461 1.511 1.00 0.00 H new ATOM 0 HZ2 LYS A 43 -0.843 13.764 0.297 1.00 0.00 H new ATOM 0 HZ3 LYS A 43 -0.069 12.255 0.376 1.00 0.00 H new ATOM 617 N GLU A 44 -1.505 13.666 -5.335 1.00 0.00 N ATOM 618 CA GLU A 44 -2.069 12.334 -5.699 1.00 0.00 C ATOM 619 C GLU A 44 -0.949 11.373 -6.107 1.00 0.00 C ATOM 620 O GLU A 44 -0.168 11.656 -6.995 1.00 0.00 O ATOM 621 CB GLU A 44 -2.995 12.608 -6.887 1.00 0.00 C ATOM 622 CG GLU A 44 -4.449 12.639 -6.409 1.00 0.00 C ATOM 623 CD GLU A 44 -5.384 12.669 -7.619 1.00 0.00 C ATOM 624 OE1 GLU A 44 -5.154 13.482 -8.500 1.00 0.00 O ATOM 625 OE2 GLU A 44 -6.314 11.881 -7.644 1.00 0.00 O ATOM 0 H GLU A 44 -0.873 14.073 -6.025 1.00 0.00 H new ATOM 0 HA GLU A 44 -2.596 11.870 -4.865 1.00 0.00 H new ATOM 0 HB2 GLU A 44 -2.734 13.559 -7.352 1.00 0.00 H new ATOM 0 HB3 GLU A 44 -2.868 11.836 -7.646 1.00 0.00 H new ATOM 0 HG2 GLU A 44 -4.660 11.763 -5.795 1.00 0.00 H new ATOM 0 HG3 GLU A 44 -4.619 13.515 -5.783 1.00 0.00 H new ATOM 632 N GLU A 45 -0.872 10.235 -5.470 1.00 0.00 N ATOM 633 CA GLU A 45 0.190 9.250 -5.824 1.00 0.00 C ATOM 634 C GLU A 45 -0.275 8.393 -7.005 1.00 0.00 C ATOM 635 O GLU A 45 -1.453 8.148 -7.174 1.00 0.00 O ATOM 636 CB GLU A 45 0.368 8.389 -4.573 1.00 0.00 C ATOM 637 CG GLU A 45 1.480 8.976 -3.702 1.00 0.00 C ATOM 638 CD GLU A 45 1.332 8.463 -2.269 1.00 0.00 C ATOM 639 OE1 GLU A 45 0.228 8.518 -1.753 1.00 0.00 O ATOM 640 OE2 GLU A 45 2.324 8.024 -1.712 1.00 0.00 O ATOM 0 H GLU A 45 -1.499 9.945 -4.720 1.00 0.00 H new ATOM 0 HA GLU A 45 1.123 9.730 -6.119 1.00 0.00 H new ATOM 0 HB2 GLU A 45 -0.565 8.348 -4.011 1.00 0.00 H new ATOM 0 HB3 GLU A 45 0.615 7.366 -4.855 1.00 0.00 H new ATOM 0 HG2 GLU A 45 2.455 8.696 -4.101 1.00 0.00 H new ATOM 0 HG3 GLU A 45 1.431 10.065 -3.716 1.00 0.00 H new ATOM 647 N PHE A 46 0.637 7.939 -7.824 1.00 0.00 N ATOM 648 CA PHE A 46 0.236 7.105 -8.989 1.00 0.00 C ATOM 649 C PHE A 46 0.960 5.760 -8.954 1.00 0.00 C ATOM 650 O PHE A 46 2.131 5.681 -8.638 1.00 0.00 O ATOM 651 CB PHE A 46 0.664 7.910 -10.217 1.00 0.00 C ATOM 652 CG PHE A 46 -0.513 8.695 -10.743 1.00 0.00 C ATOM 653 CD1 PHE A 46 -0.778 9.977 -10.247 1.00 0.00 C ATOM 654 CD2 PHE A 46 -1.341 8.141 -11.726 1.00 0.00 C ATOM 655 CE1 PHE A 46 -1.869 10.706 -10.735 1.00 0.00 C ATOM 656 CE2 PHE A 46 -2.432 8.869 -12.214 1.00 0.00 C ATOM 657 CZ PHE A 46 -2.696 10.151 -11.719 1.00 0.00 C ATOM 0 H PHE A 46 1.639 8.110 -7.735 1.00 0.00 H new ATOM 0 HA PHE A 46 -0.832 6.889 -8.992 1.00 0.00 H new ATOM 0 HB2 PHE A 46 1.478 8.587 -9.955 1.00 0.00 H new ATOM 0 HB3 PHE A 46 1.042 7.241 -10.990 1.00 0.00 H new ATOM 0 HD1 PHE A 46 -0.140 10.404 -9.487 1.00 0.00 H new ATOM 0 HD2 PHE A 46 -1.138 7.151 -12.108 1.00 0.00 H new ATOM 0 HE1 PHE A 46 -2.072 11.695 -10.353 1.00 0.00 H new ATOM 0 HE2 PHE A 46 -3.070 8.441 -12.973 1.00 0.00 H new ATOM 0 HZ PHE A 46 -3.538 10.712 -12.096 1.00 0.00 H new ATOM 667 N ALA A 47 0.273 4.704 -9.293 1.00 0.00 N ATOM 668 CA ALA A 47 0.915 3.362 -9.300 1.00 0.00 C ATOM 669 C ALA A 47 1.342 3.033 -10.726 1.00 0.00 C ATOM 670 O ALA A 47 0.601 3.251 -11.665 1.00 0.00 O ATOM 671 CB ALA A 47 -0.167 2.395 -8.821 1.00 0.00 C ATOM 0 H ALA A 47 -0.710 4.714 -9.566 1.00 0.00 H new ATOM 0 HA ALA A 47 1.799 3.307 -8.665 1.00 0.00 H new ATOM 0 HB1 ALA A 47 0.234 1.382 -8.800 1.00 0.00 H new ATOM 0 HB2 ALA A 47 -0.490 2.678 -7.819 1.00 0.00 H new ATOM 0 HB3 ALA A 47 -1.018 2.435 -9.502 1.00 0.00 H new ATOM 677 N VAL A 48 2.527 2.523 -10.909 1.00 0.00 N ATOM 678 CA VAL A 48 2.977 2.203 -12.285 1.00 0.00 C ATOM 679 C VAL A 48 3.811 0.925 -12.251 1.00 0.00 C ATOM 680 O VAL A 48 4.543 0.698 -11.309 1.00 0.00 O ATOM 681 CB VAL A 48 3.809 3.417 -12.712 1.00 0.00 C ATOM 682 CG1 VAL A 48 2.939 4.679 -12.640 1.00 0.00 C ATOM 683 CG2 VAL A 48 5.008 3.581 -11.773 1.00 0.00 C ATOM 0 H VAL A 48 3.197 2.316 -10.169 1.00 0.00 H new ATOM 0 HA VAL A 48 2.160 2.025 -12.984 1.00 0.00 H new ATOM 0 HB VAL A 48 4.164 3.268 -13.732 1.00 0.00 H new ATOM 0 HG11 VAL A 48 3.528 5.545 -12.943 1.00 0.00 H new ATOM 0 HG12 VAL A 48 2.084 4.570 -13.307 1.00 0.00 H new ATOM 0 HG13 VAL A 48 2.586 4.820 -11.618 1.00 0.00 H new ATOM 0 HG21 VAL A 48 5.596 4.446 -12.081 1.00 0.00 H new ATOM 0 HG22 VAL A 48 4.654 3.728 -10.753 1.00 0.00 H new ATOM 0 HG23 VAL A 48 5.629 2.686 -11.816 1.00 0.00 H new ATOM 693 N PRO A 49 3.666 0.120 -13.267 1.00 0.00 N ATOM 694 CA PRO A 49 4.409 -1.158 -13.313 1.00 0.00 C ATOM 695 C PRO A 49 5.910 -0.909 -13.427 1.00 0.00 C ATOM 696 O PRO A 49 6.369 -0.172 -14.277 1.00 0.00 O ATOM 697 CB PRO A 49 3.857 -1.854 -14.555 1.00 0.00 C ATOM 698 CG PRO A 49 3.330 -0.746 -15.407 1.00 0.00 C ATOM 699 CD PRO A 49 2.828 0.310 -14.458 1.00 0.00 C ATOM 0 HA PRO A 49 4.283 -1.759 -12.412 1.00 0.00 H new ATOM 0 HB2 PRO A 49 4.634 -2.416 -15.072 1.00 0.00 H new ATOM 0 HB3 PRO A 49 3.070 -2.563 -14.295 1.00 0.00 H new ATOM 0 HG2 PRO A 49 4.111 -0.348 -16.055 1.00 0.00 H new ATOM 0 HG3 PRO A 49 2.528 -1.100 -16.055 1.00 0.00 H new ATOM 0 HD2 PRO A 49 2.941 1.311 -14.874 1.00 0.00 H new ATOM 0 HD3 PRO A 49 1.770 0.177 -14.231 1.00 0.00 H new ATOM 707 N GLU A 50 6.665 -1.524 -12.555 1.00 0.00 N ATOM 708 CA GLU A 50 8.159 -1.366 -12.553 1.00 0.00 C ATOM 709 C GLU A 50 8.733 -1.296 -13.978 1.00 0.00 C ATOM 710 O GLU A 50 9.792 -0.750 -14.194 1.00 0.00 O ATOM 711 CB GLU A 50 8.682 -2.614 -11.835 1.00 0.00 C ATOM 712 CG GLU A 50 9.509 -2.204 -10.610 1.00 0.00 C ATOM 713 CD GLU A 50 10.900 -2.839 -10.692 1.00 0.00 C ATOM 714 OE1 GLU A 50 11.530 -2.705 -11.728 1.00 0.00 O ATOM 715 OE2 GLU A 50 11.311 -3.445 -9.716 1.00 0.00 O ATOM 0 H GLU A 50 6.306 -2.143 -11.828 1.00 0.00 H new ATOM 0 HA GLU A 50 8.456 -0.438 -12.065 1.00 0.00 H new ATOM 0 HB2 GLU A 50 7.847 -3.243 -11.527 1.00 0.00 H new ATOM 0 HB3 GLU A 50 9.293 -3.206 -12.516 1.00 0.00 H new ATOM 0 HG2 GLU A 50 9.596 -1.118 -10.564 1.00 0.00 H new ATOM 0 HG3 GLU A 50 9.006 -2.522 -9.697 1.00 0.00 H new ATOM 722 N ASN A 51 8.054 -1.839 -14.951 1.00 0.00 N ATOM 723 CA ASN A 51 8.586 -1.780 -16.344 1.00 0.00 C ATOM 724 C ASN A 51 7.591 -1.060 -17.260 1.00 0.00 C ATOM 725 O ASN A 51 7.001 -1.655 -18.142 1.00 0.00 O ATOM 726 CB ASN A 51 8.760 -3.238 -16.770 1.00 0.00 C ATOM 727 CG ASN A 51 9.626 -3.303 -18.028 1.00 0.00 C ATOM 728 OD1 ASN A 51 10.817 -3.532 -17.950 1.00 0.00 O ATOM 729 ND2 ASN A 51 9.075 -3.112 -19.196 1.00 0.00 N ATOM 0 H ASN A 51 7.160 -2.318 -14.844 1.00 0.00 H new ATOM 0 HA ASN A 51 9.525 -1.229 -16.404 1.00 0.00 H new ATOM 0 HB2 ASN A 51 9.224 -3.810 -15.966 1.00 0.00 H new ATOM 0 HB3 ASN A 51 7.787 -3.690 -16.962 1.00 0.00 H new ATOM 0 HD21 ASN A 51 9.644 -3.155 -20.041 1.00 0.00 H new ATOM 0 HD22 ASN A 51 8.076 -2.920 -19.263 1.00 0.00 H new ATOM 736 N SER A 52 7.402 0.218 -17.056 1.00 0.00 N ATOM 737 CA SER A 52 6.447 0.983 -17.911 1.00 0.00 C ATOM 738 C SER A 52 7.190 2.094 -18.664 1.00 0.00 C ATOM 739 O SER A 52 8.356 1.964 -18.981 1.00 0.00 O ATOM 740 CB SER A 52 5.430 1.574 -16.933 1.00 0.00 C ATOM 741 OG SER A 52 4.119 1.385 -17.450 1.00 0.00 O ATOM 0 H SER A 52 7.869 0.765 -16.333 1.00 0.00 H new ATOM 0 HA SER A 52 5.967 0.358 -18.664 1.00 0.00 H new ATOM 0 HB2 SER A 52 5.522 1.093 -15.959 1.00 0.00 H new ATOM 0 HB3 SER A 52 5.625 2.636 -16.784 1.00 0.00 H new ATOM 0 HG SER A 52 3.752 2.248 -17.735 1.00 0.00 H new ATOM 747 N SER A 53 6.526 3.184 -18.955 1.00 0.00 N ATOM 748 CA SER A 53 7.197 4.298 -19.687 1.00 0.00 C ATOM 749 C SER A 53 6.434 5.607 -19.466 1.00 0.00 C ATOM 750 O SER A 53 5.247 5.604 -19.205 1.00 0.00 O ATOM 751 CB SER A 53 7.145 3.891 -21.159 1.00 0.00 C ATOM 752 OG SER A 53 8.056 4.694 -21.899 1.00 0.00 O ATOM 0 H SER A 53 5.548 3.350 -18.717 1.00 0.00 H new ATOM 0 HA SER A 53 8.219 4.462 -19.345 1.00 0.00 H new ATOM 0 HB2 SER A 53 7.401 2.837 -21.266 1.00 0.00 H new ATOM 0 HB3 SER A 53 6.134 4.015 -21.547 1.00 0.00 H new ATOM 0 HG SER A 53 8.027 4.435 -22.844 1.00 0.00 H new ATOM 758 N VAL A 54 7.105 6.726 -19.563 1.00 0.00 N ATOM 759 CA VAL A 54 6.411 8.031 -19.351 1.00 0.00 C ATOM 760 C VAL A 54 5.216 8.177 -20.291 1.00 0.00 C ATOM 761 O VAL A 54 4.226 8.762 -19.934 1.00 0.00 O ATOM 762 CB VAL A 54 7.444 9.109 -19.649 1.00 0.00 C ATOM 763 CG1 VAL A 54 6.825 10.491 -19.387 1.00 0.00 C ATOM 764 CG2 VAL A 54 8.661 8.912 -18.740 1.00 0.00 C ATOM 0 H VAL A 54 8.100 6.792 -19.779 1.00 0.00 H new ATOM 0 HA VAL A 54 6.026 8.106 -18.334 1.00 0.00 H new ATOM 0 HB VAL A 54 7.755 9.041 -20.691 1.00 0.00 H new ATOM 0 HG11 VAL A 54 7.562 11.266 -19.599 1.00 0.00 H new ATOM 0 HG12 VAL A 54 5.957 10.629 -20.032 1.00 0.00 H new ATOM 0 HG13 VAL A 54 6.517 10.560 -18.344 1.00 0.00 H new ATOM 0 HG21 VAL A 54 9.402 9.683 -18.952 1.00 0.00 H new ATOM 0 HG22 VAL A 54 8.352 8.983 -17.697 1.00 0.00 H new ATOM 0 HG23 VAL A 54 9.097 7.930 -18.923 1.00 0.00 H new ATOM 774 N GLN A 55 5.302 7.677 -21.494 1.00 0.00 N ATOM 775 CA GLN A 55 4.156 7.827 -22.448 1.00 0.00 C ATOM 776 C GLN A 55 2.835 7.421 -21.777 1.00 0.00 C ATOM 777 O GLN A 55 1.835 8.108 -21.890 1.00 0.00 O ATOM 778 CB GLN A 55 4.479 6.882 -23.607 1.00 0.00 C ATOM 779 CG GLN A 55 3.578 7.211 -24.803 1.00 0.00 C ATOM 780 CD GLN A 55 2.929 5.929 -25.327 1.00 0.00 C ATOM 781 OE1 GLN A 55 3.222 5.489 -26.422 1.00 0.00 O ATOM 782 NE2 GLN A 55 2.052 5.306 -24.587 1.00 0.00 N ATOM 0 H GLN A 55 6.110 7.173 -21.860 1.00 0.00 H new ATOM 0 HA GLN A 55 4.034 8.858 -22.780 1.00 0.00 H new ATOM 0 HB2 GLN A 55 5.527 6.981 -23.890 1.00 0.00 H new ATOM 0 HB3 GLN A 55 4.329 5.847 -23.299 1.00 0.00 H new ATOM 0 HG2 GLN A 55 2.809 7.924 -24.506 1.00 0.00 H new ATOM 0 HG3 GLN A 55 4.163 7.683 -25.592 1.00 0.00 H new ATOM 0 HE21 GLN A 55 1.806 5.675 -23.668 1.00 0.00 H new ATOM 0 HE22 GLN A 55 1.613 4.451 -24.928 1.00 0.00 H new ATOM 791 N GLN A 56 2.822 6.320 -21.075 1.00 0.00 N ATOM 792 CA GLN A 56 1.567 5.880 -20.396 1.00 0.00 C ATOM 793 C GLN A 56 1.254 6.796 -19.207 1.00 0.00 C ATOM 794 O GLN A 56 0.151 7.284 -19.061 1.00 0.00 O ATOM 795 CB GLN A 56 1.852 4.456 -19.917 1.00 0.00 C ATOM 796 CG GLN A 56 0.532 3.706 -19.731 1.00 0.00 C ATOM 797 CD GLN A 56 0.660 2.726 -18.563 1.00 0.00 C ATOM 798 OE1 GLN A 56 1.386 1.756 -18.646 1.00 0.00 O ATOM 799 NE2 GLN A 56 -0.022 2.939 -17.471 1.00 0.00 N ATOM 0 H GLN A 56 3.625 5.706 -20.942 1.00 0.00 H new ATOM 0 HA GLN A 56 0.704 5.921 -21.061 1.00 0.00 H new ATOM 0 HB2 GLN A 56 2.479 3.936 -20.641 1.00 0.00 H new ATOM 0 HB3 GLN A 56 2.404 4.481 -18.977 1.00 0.00 H new ATOM 0 HG2 GLN A 56 -0.276 4.412 -19.540 1.00 0.00 H new ATOM 0 HG3 GLN A 56 0.276 3.168 -20.644 1.00 0.00 H new ATOM 0 HE21 GLN A 56 -0.632 3.754 -17.401 1.00 0.00 H new ATOM 0 HE22 GLN A 56 0.055 2.291 -16.687 1.00 0.00 H new ATOM 808 N PHE A 57 2.219 7.030 -18.357 1.00 0.00 N ATOM 809 CA PHE A 57 1.983 7.913 -17.174 1.00 0.00 C ATOM 810 C PHE A 57 1.633 9.334 -17.628 1.00 0.00 C ATOM 811 O PHE A 57 0.802 9.999 -17.039 1.00 0.00 O ATOM 812 CB PHE A 57 3.305 7.907 -16.403 1.00 0.00 C ATOM 813 CG PHE A 57 3.182 8.788 -15.183 1.00 0.00 C ATOM 814 CD1 PHE A 57 2.199 8.521 -14.224 1.00 0.00 C ATOM 815 CD2 PHE A 57 4.049 9.874 -15.014 1.00 0.00 C ATOM 816 CE1 PHE A 57 2.081 9.340 -13.095 1.00 0.00 C ATOM 817 CE2 PHE A 57 3.932 10.693 -13.884 1.00 0.00 C ATOM 818 CZ PHE A 57 2.948 10.425 -12.925 1.00 0.00 C ATOM 0 H PHE A 57 3.162 6.648 -18.430 1.00 0.00 H new ATOM 0 HA PHE A 57 1.151 7.564 -16.562 1.00 0.00 H new ATOM 0 HB2 PHE A 57 3.560 6.890 -16.106 1.00 0.00 H new ATOM 0 HB3 PHE A 57 4.112 8.264 -17.042 1.00 0.00 H new ATOM 0 HD1 PHE A 57 1.531 7.683 -14.355 1.00 0.00 H new ATOM 0 HD2 PHE A 57 4.808 10.080 -15.755 1.00 0.00 H new ATOM 0 HE1 PHE A 57 1.321 9.135 -12.356 1.00 0.00 H new ATOM 0 HE2 PHE A 57 4.601 11.531 -13.752 1.00 0.00 H new ATOM 0 HZ PHE A 57 2.858 11.056 -12.053 1.00 0.00 H new ATOM 828 N LYS A 58 2.265 9.803 -18.669 1.00 0.00 N ATOM 829 CA LYS A 58 1.982 11.180 -19.167 1.00 0.00 C ATOM 830 C LYS A 58 0.498 11.306 -19.516 1.00 0.00 C ATOM 831 O LYS A 58 -0.155 12.269 -19.166 1.00 0.00 O ATOM 832 CB LYS A 58 2.840 11.347 -20.424 1.00 0.00 C ATOM 833 CG LYS A 58 4.033 12.254 -20.114 1.00 0.00 C ATOM 834 CD LYS A 58 5.051 12.169 -21.253 1.00 0.00 C ATOM 835 CE LYS A 58 4.493 12.873 -22.492 1.00 0.00 C ATOM 836 NZ LYS A 58 4.822 11.971 -23.630 1.00 0.00 N ATOM 0 H LYS A 58 2.969 9.289 -19.199 1.00 0.00 H new ATOM 0 HA LYS A 58 2.211 11.942 -18.422 1.00 0.00 H new ATOM 0 HB2 LYS A 58 3.190 10.374 -20.770 1.00 0.00 H new ATOM 0 HB3 LYS A 58 2.244 11.776 -21.229 1.00 0.00 H new ATOM 0 HG2 LYS A 58 3.697 13.283 -19.989 1.00 0.00 H new ATOM 0 HG3 LYS A 58 4.497 11.953 -19.175 1.00 0.00 H new ATOM 0 HD2 LYS A 58 5.990 12.633 -20.951 1.00 0.00 H new ATOM 0 HD3 LYS A 58 5.270 11.126 -21.482 1.00 0.00 H new ATOM 0 HE2 LYS A 58 3.417 13.026 -22.408 1.00 0.00 H new ATOM 0 HE3 LYS A 58 4.945 13.856 -22.624 1.00 0.00 H new ATOM 0 HZ1 LYS A 58 4.470 12.387 -24.516 1.00 0.00 H new ATOM 0 HZ2 LYS A 58 5.853 11.850 -23.690 1.00 0.00 H new ATOM 0 HZ3 LYS A 58 4.373 11.045 -23.480 1.00 0.00 H new ATOM 850 N GLU A 59 -0.039 10.330 -20.200 1.00 0.00 N ATOM 851 CA GLU A 59 -1.483 10.379 -20.569 1.00 0.00 C ATOM 852 C GLU A 59 -2.347 9.913 -19.390 1.00 0.00 C ATOM 853 O GLU A 59 -3.533 10.170 -19.340 1.00 0.00 O ATOM 854 CB GLU A 59 -1.624 9.418 -21.750 1.00 0.00 C ATOM 855 CG GLU A 59 -1.455 10.191 -23.060 1.00 0.00 C ATOM 856 CD GLU A 59 -2.772 10.880 -23.420 1.00 0.00 C ATOM 857 OE1 GLU A 59 -3.355 11.494 -22.541 1.00 0.00 O ATOM 858 OE2 GLU A 59 -3.174 10.782 -24.567 1.00 0.00 O ATOM 0 H GLU A 59 0.461 9.500 -20.519 1.00 0.00 H new ATOM 0 HA GLU A 59 -1.810 11.387 -20.823 1.00 0.00 H new ATOM 0 HB2 GLU A 59 -0.875 8.629 -21.682 1.00 0.00 H new ATOM 0 HB3 GLU A 59 -2.600 8.934 -21.724 1.00 0.00 H new ATOM 0 HG2 GLU A 59 -0.661 10.931 -22.958 1.00 0.00 H new ATOM 0 HG3 GLU A 59 -1.157 9.512 -23.859 1.00 0.00 H new ATOM 865 N ALA A 60 -1.760 9.227 -18.443 1.00 0.00 N ATOM 866 CA ALA A 60 -2.546 8.743 -17.269 1.00 0.00 C ATOM 867 C ALA A 60 -3.098 9.930 -16.475 1.00 0.00 C ATOM 868 O ALA A 60 -4.280 10.009 -16.200 1.00 0.00 O ATOM 869 CB ALA A 60 -1.550 7.949 -16.423 1.00 0.00 C ATOM 0 H ALA A 60 -0.770 8.981 -18.432 1.00 0.00 H new ATOM 0 HA ALA A 60 -3.401 8.136 -17.568 1.00 0.00 H new ATOM 0 HB1 ALA A 60 -2.054 7.559 -15.538 1.00 0.00 H new ATOM 0 HB2 ALA A 60 -1.154 7.120 -17.010 1.00 0.00 H new ATOM 0 HB3 ALA A 60 -0.732 8.601 -16.117 1.00 0.00 H new ATOM 875 N ILE A 61 -2.251 10.855 -16.107 1.00 0.00 N ATOM 876 CA ILE A 61 -2.728 12.041 -15.334 1.00 0.00 C ATOM 877 C ILE A 61 -3.720 12.845 -16.182 1.00 0.00 C ATOM 878 O ILE A 61 -4.654 13.430 -15.675 1.00 0.00 O ATOM 879 CB ILE A 61 -1.458 12.853 -15.032 1.00 0.00 C ATOM 880 CG1 ILE A 61 -0.679 12.162 -13.908 1.00 0.00 C ATOM 881 CG2 ILE A 61 -1.822 14.278 -14.590 1.00 0.00 C ATOM 882 CD1 ILE A 61 0.587 12.961 -13.587 1.00 0.00 C ATOM 0 H ILE A 61 -1.251 10.841 -16.308 1.00 0.00 H new ATOM 0 HA ILE A 61 -3.251 11.770 -14.417 1.00 0.00 H new ATOM 0 HB ILE A 61 -0.851 12.909 -15.935 1.00 0.00 H new ATOM 0 HG12 ILE A 61 -1.303 12.079 -13.018 1.00 0.00 H new ATOM 0 HG13 ILE A 61 -0.414 11.148 -14.207 1.00 0.00 H new ATOM 0 HG21 ILE A 61 -0.911 14.838 -14.381 1.00 0.00 H new ATOM 0 HG22 ILE A 61 -2.378 14.775 -15.385 1.00 0.00 H new ATOM 0 HG23 ILE A 61 -2.436 14.234 -13.690 1.00 0.00 H new ATOM 0 HD11 ILE A 61 1.137 12.465 -12.787 1.00 0.00 H new ATOM 0 HD12 ILE A 61 1.215 13.021 -14.476 1.00 0.00 H new ATOM 0 HD13 ILE A 61 0.312 13.967 -13.269 1.00 0.00 H new ATOM 894 N SER A 62 -3.524 12.879 -17.470 1.00 0.00 N ATOM 895 CA SER A 62 -4.453 13.650 -18.347 1.00 0.00 C ATOM 896 C SER A 62 -5.905 13.215 -18.110 1.00 0.00 C ATOM 897 O SER A 62 -6.773 14.028 -17.863 1.00 0.00 O ATOM 898 CB SER A 62 -4.022 13.316 -19.775 1.00 0.00 C ATOM 899 OG SER A 62 -4.220 14.455 -20.603 1.00 0.00 O ATOM 0 H SER A 62 -2.761 12.407 -17.955 1.00 0.00 H new ATOM 0 HA SER A 62 -4.409 14.720 -18.145 1.00 0.00 H new ATOM 0 HB2 SER A 62 -2.974 13.018 -19.791 1.00 0.00 H new ATOM 0 HB3 SER A 62 -4.599 12.472 -20.153 1.00 0.00 H new ATOM 0 HG SER A 62 -3.943 14.245 -21.519 1.00 0.00 H new ATOM 905 N LYS A 63 -6.176 11.940 -18.200 1.00 0.00 N ATOM 906 CA LYS A 63 -7.575 11.456 -17.996 1.00 0.00 C ATOM 907 C LYS A 63 -8.028 11.619 -16.537 1.00 0.00 C ATOM 908 O LYS A 63 -9.057 12.205 -16.264 1.00 0.00 O ATOM 909 CB LYS A 63 -7.535 9.974 -18.376 1.00 0.00 C ATOM 910 CG LYS A 63 -8.964 9.441 -18.501 1.00 0.00 C ATOM 911 CD LYS A 63 -9.537 9.830 -19.865 1.00 0.00 C ATOM 912 CE LYS A 63 -10.728 8.929 -20.195 1.00 0.00 C ATOM 913 NZ LYS A 63 -11.927 9.709 -19.777 1.00 0.00 N ATOM 0 H LYS A 63 -5.491 11.213 -18.406 1.00 0.00 H new ATOM 0 HA LYS A 63 -8.284 12.027 -18.596 1.00 0.00 H new ATOM 0 HB2 LYS A 63 -7.003 9.843 -19.318 1.00 0.00 H new ATOM 0 HB3 LYS A 63 -6.989 9.408 -17.621 1.00 0.00 H new ATOM 0 HG2 LYS A 63 -8.970 8.357 -18.388 1.00 0.00 H new ATOM 0 HG3 LYS A 63 -9.586 9.848 -17.704 1.00 0.00 H new ATOM 0 HD2 LYS A 63 -9.849 10.874 -19.855 1.00 0.00 H new ATOM 0 HD3 LYS A 63 -8.771 9.734 -20.634 1.00 0.00 H new ATOM 0 HE2 LYS A 63 -10.762 8.693 -21.259 1.00 0.00 H new ATOM 0 HE3 LYS A 63 -10.667 7.982 -19.660 1.00 0.00 H new ATOM 0 HZ1 LYS A 63 -12.786 9.156 -19.972 1.00 0.00 H new ATOM 0 HZ2 LYS A 63 -11.870 9.914 -18.759 1.00 0.00 H new ATOM 0 HZ3 LYS A 63 -11.962 10.602 -20.308 1.00 0.00 H new ATOM 927 N ARG A 64 -7.285 11.085 -15.600 1.00 0.00 N ATOM 928 CA ARG A 64 -7.702 11.192 -14.165 1.00 0.00 C ATOM 929 C ARG A 64 -7.513 12.615 -13.626 1.00 0.00 C ATOM 930 O ARG A 64 -8.434 13.216 -13.106 1.00 0.00 O ATOM 931 CB ARG A 64 -6.790 10.216 -13.417 1.00 0.00 C ATOM 932 CG ARG A 64 -7.619 9.393 -12.428 1.00 0.00 C ATOM 933 CD ARG A 64 -7.998 8.054 -13.066 1.00 0.00 C ATOM 934 NE ARG A 64 -9.384 8.249 -13.574 1.00 0.00 N ATOM 935 CZ ARG A 64 -10.195 7.230 -13.666 1.00 0.00 C ATOM 936 NH1 ARG A 64 -10.025 6.345 -14.609 1.00 0.00 N ATOM 937 NH2 ARG A 64 -11.175 7.098 -12.815 1.00 0.00 N ATOM 0 H ARG A 64 -6.413 10.582 -15.763 1.00 0.00 H new ATOM 0 HA ARG A 64 -8.760 10.960 -14.040 1.00 0.00 H new ATOM 0 HB2 ARG A 64 -6.289 9.556 -14.125 1.00 0.00 H new ATOM 0 HB3 ARG A 64 -6.011 10.764 -12.886 1.00 0.00 H new ATOM 0 HG2 ARG A 64 -7.050 9.224 -11.514 1.00 0.00 H new ATOM 0 HG3 ARG A 64 -8.518 9.941 -12.147 1.00 0.00 H new ATOM 0 HD2 ARG A 64 -7.314 7.794 -13.874 1.00 0.00 H new ATOM 0 HD3 ARG A 64 -7.954 7.244 -12.338 1.00 0.00 H new ATOM 0 HE ARG A 64 -9.700 9.179 -13.850 1.00 0.00 H new ATOM 0 HH11 ARG A 64 -9.259 6.449 -15.274 1.00 0.00 H new ATOM 0 HH12 ARG A 64 -10.658 5.549 -14.681 1.00 0.00 H new ATOM 0 HH21 ARG A 64 -11.307 7.791 -12.078 1.00 0.00 H new ATOM 0 HH22 ARG A 64 -11.809 6.302 -12.887 1.00 0.00 H new ATOM 951 N PHE A 65 -6.330 13.157 -13.740 1.00 0.00 N ATOM 952 CA PHE A 65 -6.088 14.540 -13.228 1.00 0.00 C ATOM 953 C PHE A 65 -6.853 15.563 -14.074 1.00 0.00 C ATOM 954 O PHE A 65 -7.339 16.555 -13.569 1.00 0.00 O ATOM 955 CB PHE A 65 -4.576 14.759 -13.335 1.00 0.00 C ATOM 956 CG PHE A 65 -4.026 15.159 -11.985 1.00 0.00 C ATOM 957 CD1 PHE A 65 -4.386 16.386 -11.416 1.00 0.00 C ATOM 958 CD2 PHE A 65 -3.156 14.300 -11.303 1.00 0.00 C ATOM 959 CE1 PHE A 65 -3.876 16.755 -10.165 1.00 0.00 C ATOM 960 CE2 PHE A 65 -2.645 14.667 -10.052 1.00 0.00 C ATOM 961 CZ PHE A 65 -3.006 15.895 -9.483 1.00 0.00 C ATOM 0 H PHE A 65 -5.521 12.704 -14.165 1.00 0.00 H new ATOM 0 HA PHE A 65 -6.435 14.662 -12.202 1.00 0.00 H new ATOM 0 HB2 PHE A 65 -4.090 13.847 -13.682 1.00 0.00 H new ATOM 0 HB3 PHE A 65 -4.362 15.534 -14.071 1.00 0.00 H new ATOM 0 HD1 PHE A 65 -5.057 17.049 -11.942 1.00 0.00 H new ATOM 0 HD2 PHE A 65 -2.879 13.353 -11.742 1.00 0.00 H new ATOM 0 HE1 PHE A 65 -4.153 17.702 -9.726 1.00 0.00 H new ATOM 0 HE2 PHE A 65 -1.973 14.004 -9.527 1.00 0.00 H new ATOM 0 HZ PHE A 65 -2.613 16.179 -8.518 1.00 0.00 H new ATOM 971 N LYS A 66 -6.948 15.329 -15.361 1.00 0.00 N ATOM 972 CA LYS A 66 -7.669 16.282 -16.268 1.00 0.00 C ATOM 973 C LYS A 66 -6.824 17.539 -16.487 1.00 0.00 C ATOM 974 O LYS A 66 -7.126 18.601 -15.977 1.00 0.00 O ATOM 975 CB LYS A 66 -8.990 16.625 -15.569 1.00 0.00 C ATOM 976 CG LYS A 66 -10.119 16.682 -16.601 1.00 0.00 C ATOM 977 CD LYS A 66 -10.890 15.359 -16.591 1.00 0.00 C ATOM 978 CE LYS A 66 -11.862 15.323 -17.772 1.00 0.00 C ATOM 979 NZ LYS A 66 -11.212 14.440 -18.779 1.00 0.00 N ATOM 0 H LYS A 66 -6.554 14.512 -15.827 1.00 0.00 H new ATOM 0 HA LYS A 66 -7.852 15.844 -17.249 1.00 0.00 H new ATOM 0 HB2 LYS A 66 -9.216 15.877 -14.809 1.00 0.00 H new ATOM 0 HB3 LYS A 66 -8.904 17.583 -15.057 1.00 0.00 H new ATOM 0 HG2 LYS A 66 -10.792 17.509 -16.374 1.00 0.00 H new ATOM 0 HG3 LYS A 66 -9.709 16.868 -17.594 1.00 0.00 H new ATOM 0 HD2 LYS A 66 -10.196 14.521 -16.653 1.00 0.00 H new ATOM 0 HD3 LYS A 66 -11.436 15.252 -15.654 1.00 0.00 H new ATOM 0 HE2 LYS A 66 -12.834 14.931 -17.472 1.00 0.00 H new ATOM 0 HE3 LYS A 66 -12.032 16.322 -18.174 1.00 0.00 H new ATOM 0 HZ1 LYS A 66 -11.820 14.366 -19.620 1.00 0.00 H new ATOM 0 HZ2 LYS A 66 -10.292 14.842 -19.051 1.00 0.00 H new ATOM 0 HZ3 LYS A 66 -11.069 13.494 -18.371 1.00 0.00 H new ATOM 993 N SER A 67 -5.767 17.423 -17.246 1.00 0.00 N ATOM 994 CA SER A 67 -4.894 18.603 -17.510 1.00 0.00 C ATOM 995 C SER A 67 -4.072 18.372 -18.781 1.00 0.00 C ATOM 996 O SER A 67 -4.360 17.487 -19.564 1.00 0.00 O ATOM 997 CB SER A 67 -3.979 18.699 -16.290 1.00 0.00 C ATOM 998 OG SER A 67 -3.309 17.457 -16.106 1.00 0.00 O ATOM 0 H SER A 67 -5.470 16.557 -17.696 1.00 0.00 H new ATOM 0 HA SER A 67 -5.467 19.518 -17.661 1.00 0.00 H new ATOM 0 HB2 SER A 67 -3.253 19.500 -16.428 1.00 0.00 H new ATOM 0 HB3 SER A 67 -4.562 18.946 -15.403 1.00 0.00 H new ATOM 0 HG SER A 67 -2.720 17.516 -15.325 1.00 0.00 H new ATOM 1004 N GLN A 68 -3.053 19.161 -18.995 1.00 0.00 N ATOM 1005 CA GLN A 68 -2.214 18.985 -20.219 1.00 0.00 C ATOM 1006 C GLN A 68 -1.310 17.757 -20.073 1.00 0.00 C ATOM 1007 O GLN A 68 -1.470 16.961 -19.168 1.00 0.00 O ATOM 1008 CB GLN A 68 -1.376 20.264 -20.319 1.00 0.00 C ATOM 1009 CG GLN A 68 -0.529 20.430 -19.053 1.00 0.00 C ATOM 1010 CD GLN A 68 -0.681 21.855 -18.518 1.00 0.00 C ATOM 1011 OE1 GLN A 68 -1.226 22.061 -17.451 1.00 0.00 O ATOM 1012 NE2 GLN A 68 -0.220 22.854 -19.219 1.00 0.00 N ATOM 0 H GLN A 68 -2.765 19.919 -18.377 1.00 0.00 H new ATOM 0 HA GLN A 68 -2.819 18.826 -21.112 1.00 0.00 H new ATOM 0 HB2 GLN A 68 -0.730 20.219 -21.196 1.00 0.00 H new ATOM 0 HB3 GLN A 68 -2.028 21.128 -20.447 1.00 0.00 H new ATOM 0 HG2 GLN A 68 -0.843 19.711 -18.296 1.00 0.00 H new ATOM 0 HG3 GLN A 68 0.518 20.223 -19.274 1.00 0.00 H new ATOM 0 HE21 GLN A 68 0.237 22.681 -20.114 1.00 0.00 H new ATOM 0 HE22 GLN A 68 -0.317 23.808 -18.872 1.00 0.00 H new ATOM 1021 N THR A 69 -0.362 17.598 -20.960 1.00 0.00 N ATOM 1022 CA THR A 69 0.553 16.421 -20.874 1.00 0.00 C ATOM 1023 C THR A 69 1.915 16.760 -21.487 1.00 0.00 C ATOM 1024 O THR A 69 2.947 16.559 -20.876 1.00 0.00 O ATOM 1025 CB THR A 69 -0.134 15.318 -21.684 1.00 0.00 C ATOM 1026 OG1 THR A 69 -0.843 15.896 -22.774 1.00 0.00 O ATOM 1027 CG2 THR A 69 -1.107 14.553 -20.784 1.00 0.00 C ATOM 0 H THR A 69 -0.182 18.231 -21.739 1.00 0.00 H new ATOM 0 HA THR A 69 0.733 16.119 -19.842 1.00 0.00 H new ATOM 0 HB THR A 69 0.618 14.630 -22.069 1.00 0.00 H new ATOM 0 HG1 THR A 69 -1.280 15.188 -23.292 1.00 0.00 H new ATOM 0 HG21 THR A 69 -1.596 13.768 -21.361 1.00 0.00 H new ATOM 0 HG22 THR A 69 -0.560 14.106 -19.954 1.00 0.00 H new ATOM 0 HG23 THR A 69 -1.859 15.239 -20.395 1.00 0.00 H new ATOM 1035 N ASP A 70 1.927 17.270 -22.690 1.00 0.00 N ATOM 1036 CA ASP A 70 3.224 17.622 -23.345 1.00 0.00 C ATOM 1037 C ASP A 70 4.017 18.590 -22.463 1.00 0.00 C ATOM 1038 O ASP A 70 5.174 18.366 -22.164 1.00 0.00 O ATOM 1039 CB ASP A 70 2.835 18.293 -24.663 1.00 0.00 C ATOM 1040 CG ASP A 70 2.916 17.274 -25.802 1.00 0.00 C ATOM 1041 OD1 ASP A 70 3.858 16.499 -25.810 1.00 0.00 O ATOM 1042 OD2 ASP A 70 2.036 17.288 -26.647 1.00 0.00 O ATOM 0 H ASP A 70 1.095 17.459 -23.249 1.00 0.00 H new ATOM 0 HA ASP A 70 3.856 16.748 -23.504 1.00 0.00 H new ATOM 0 HB2 ASP A 70 1.825 18.696 -24.593 1.00 0.00 H new ATOM 0 HB3 ASP A 70 3.500 19.133 -24.865 1.00 0.00 H new ATOM 1047 N GLN A 71 3.402 19.665 -22.046 1.00 0.00 N ATOM 1048 CA GLN A 71 4.117 20.649 -21.181 1.00 0.00 C ATOM 1049 C GLN A 71 4.180 20.137 -19.739 1.00 0.00 C ATOM 1050 O GLN A 71 5.059 20.499 -18.980 1.00 0.00 O ATOM 1051 CB GLN A 71 3.278 21.927 -21.257 1.00 0.00 C ATOM 1052 CG GLN A 71 3.533 22.629 -22.593 1.00 0.00 C ATOM 1053 CD GLN A 71 3.378 24.140 -22.411 1.00 0.00 C ATOM 1054 OE1 GLN A 71 4.238 24.789 -21.851 1.00 0.00 O ATOM 1055 NE2 GLN A 71 2.307 24.732 -22.864 1.00 0.00 N ATOM 0 H GLN A 71 2.435 19.904 -22.267 1.00 0.00 H new ATOM 0 HA GLN A 71 5.144 20.814 -21.506 1.00 0.00 H new ATOM 0 HB2 GLN A 71 2.220 21.686 -21.157 1.00 0.00 H new ATOM 0 HB3 GLN A 71 3.533 22.591 -20.431 1.00 0.00 H new ATOM 0 HG2 GLN A 71 4.535 22.396 -22.953 1.00 0.00 H new ATOM 0 HG3 GLN A 71 2.832 22.268 -23.346 1.00 0.00 H new ATOM 0 HE21 GLN A 71 1.584 24.188 -23.335 1.00 0.00 H new ATOM 0 HE22 GLN A 71 2.193 25.739 -22.748 1.00 0.00 H new ATOM 1064 N LEU A 72 3.253 19.301 -19.357 1.00 0.00 N ATOM 1065 CA LEU A 72 3.249 18.764 -17.962 1.00 0.00 C ATOM 1066 C LEU A 72 4.568 18.047 -17.655 1.00 0.00 C ATOM 1067 O LEU A 72 4.848 16.987 -18.180 1.00 0.00 O ATOM 1068 CB LEU A 72 2.082 17.775 -17.927 1.00 0.00 C ATOM 1069 CG LEU A 72 1.877 17.273 -16.497 1.00 0.00 C ATOM 1070 CD1 LEU A 72 1.232 18.375 -15.650 1.00 0.00 C ATOM 1071 CD2 LEU A 72 0.965 16.043 -16.516 1.00 0.00 C ATOM 0 H LEU A 72 2.495 18.965 -19.951 1.00 0.00 H new ATOM 0 HA LEU A 72 3.144 19.554 -17.219 1.00 0.00 H new ATOM 0 HB2 LEU A 72 1.173 18.257 -18.288 1.00 0.00 H new ATOM 0 HB3 LEU A 72 2.284 16.936 -18.592 1.00 0.00 H new ATOM 0 HG LEU A 72 2.842 17.006 -16.066 1.00 0.00 H new ATOM 0 HD11 LEU A 72 1.087 18.014 -14.632 1.00 0.00 H new ATOM 0 HD12 LEU A 72 1.882 19.250 -15.636 1.00 0.00 H new ATOM 0 HD13 LEU A 72 0.267 18.646 -16.079 1.00 0.00 H new ATOM 0 HD21 LEU A 72 0.818 15.684 -15.498 1.00 0.00 H new ATOM 0 HD22 LEU A 72 0.001 16.311 -16.949 1.00 0.00 H new ATOM 0 HD23 LEU A 72 1.426 15.257 -17.115 1.00 0.00 H new ATOM 1083 N VAL A 73 5.376 18.618 -16.800 1.00 0.00 N ATOM 1084 CA VAL A 73 6.676 17.972 -16.445 1.00 0.00 C ATOM 1085 C VAL A 73 6.821 17.905 -14.922 1.00 0.00 C ATOM 1086 O VAL A 73 6.285 18.730 -14.207 1.00 0.00 O ATOM 1087 CB VAL A 73 7.754 18.879 -17.049 1.00 0.00 C ATOM 1088 CG1 VAL A 73 9.141 18.286 -16.773 1.00 0.00 C ATOM 1089 CG2 VAL A 73 7.539 18.996 -18.564 1.00 0.00 C ATOM 0 H VAL A 73 5.192 19.505 -16.331 1.00 0.00 H new ATOM 0 HA VAL A 73 6.751 16.952 -16.823 1.00 0.00 H new ATOM 0 HB VAL A 73 7.687 19.868 -16.596 1.00 0.00 H new ATOM 0 HG11 VAL A 73 9.905 18.933 -17.204 1.00 0.00 H new ATOM 0 HG12 VAL A 73 9.296 18.208 -15.697 1.00 0.00 H new ATOM 0 HG13 VAL A 73 9.209 17.295 -17.222 1.00 0.00 H new ATOM 0 HG21 VAL A 73 8.306 19.641 -18.992 1.00 0.00 H new ATOM 0 HG22 VAL A 73 7.602 18.007 -19.018 1.00 0.00 H new ATOM 0 HG23 VAL A 73 6.555 19.423 -18.760 1.00 0.00 H new ATOM 1099 N LEU A 74 7.536 16.935 -14.417 1.00 0.00 N ATOM 1100 CA LEU A 74 7.703 16.828 -12.939 1.00 0.00 C ATOM 1101 C LEU A 74 9.150 17.133 -12.550 1.00 0.00 C ATOM 1102 O LEU A 74 10.073 16.489 -13.009 1.00 0.00 O ATOM 1103 CB LEU A 74 7.349 15.379 -12.607 1.00 0.00 C ATOM 1104 CG LEU A 74 5.874 15.128 -12.918 1.00 0.00 C ATOM 1105 CD1 LEU A 74 5.744 14.538 -14.325 1.00 0.00 C ATOM 1106 CD2 LEU A 74 5.301 14.143 -11.898 1.00 0.00 C ATOM 0 H LEU A 74 8.010 16.215 -14.962 1.00 0.00 H new ATOM 0 HA LEU A 74 7.074 17.534 -12.397 1.00 0.00 H new ATOM 0 HB2 LEU A 74 7.974 14.699 -13.186 1.00 0.00 H new ATOM 0 HB3 LEU A 74 7.549 15.177 -11.555 1.00 0.00 H new ATOM 0 HG LEU A 74 5.325 16.068 -12.865 1.00 0.00 H new ATOM 0 HD11 LEU A 74 4.692 14.358 -14.548 1.00 0.00 H new ATOM 0 HD12 LEU A 74 6.155 15.238 -15.052 1.00 0.00 H new ATOM 0 HD13 LEU A 74 6.292 13.597 -14.377 1.00 0.00 H new ATOM 0 HD21 LEU A 74 4.249 13.962 -12.118 1.00 0.00 H new ATOM 0 HD22 LEU A 74 5.850 13.203 -11.952 1.00 0.00 H new ATOM 0 HD23 LEU A 74 5.396 14.561 -10.896 1.00 0.00 H new ATOM 1118 N ILE A 75 9.358 18.111 -11.711 1.00 0.00 N ATOM 1119 CA ILE A 75 10.749 18.454 -11.299 1.00 0.00 C ATOM 1120 C ILE A 75 11.237 17.485 -10.220 1.00 0.00 C ATOM 1121 O ILE A 75 10.901 17.613 -9.057 1.00 0.00 O ATOM 1122 CB ILE A 75 10.663 19.882 -10.753 1.00 0.00 C ATOM 1123 CG1 ILE A 75 10.388 20.848 -11.911 1.00 0.00 C ATOM 1124 CG2 ILE A 75 11.984 20.260 -10.076 1.00 0.00 C ATOM 1125 CD1 ILE A 75 11.546 20.801 -12.914 1.00 0.00 C ATOM 0 H ILE A 75 8.626 18.686 -11.294 1.00 0.00 H new ATOM 0 HA ILE A 75 11.455 18.381 -12.126 1.00 0.00 H new ATOM 0 HB ILE A 75 9.857 19.943 -10.022 1.00 0.00 H new ATOM 0 HG12 ILE A 75 9.455 20.580 -12.406 1.00 0.00 H new ATOM 0 HG13 ILE A 75 10.266 21.862 -11.530 1.00 0.00 H new ATOM 0 HG21 ILE A 75 11.917 21.277 -9.690 1.00 0.00 H new ATOM 0 HG22 ILE A 75 12.182 19.572 -9.254 1.00 0.00 H new ATOM 0 HG23 ILE A 75 12.795 20.201 -10.802 1.00 0.00 H new ATOM 0 HD11 ILE A 75 11.345 21.490 -13.735 1.00 0.00 H new ATOM 0 HD12 ILE A 75 12.471 21.091 -12.416 1.00 0.00 H new ATOM 0 HD13 ILE A 75 11.647 19.789 -13.306 1.00 0.00 H new ATOM 1137 N PHE A 76 12.029 16.520 -10.597 1.00 0.00 N ATOM 1138 CA PHE A 76 12.546 15.542 -9.596 1.00 0.00 C ATOM 1139 C PHE A 76 14.042 15.772 -9.360 1.00 0.00 C ATOM 1140 O PHE A 76 14.836 15.757 -10.280 1.00 0.00 O ATOM 1141 CB PHE A 76 12.299 14.165 -10.219 1.00 0.00 C ATOM 1142 CG PHE A 76 12.873 13.074 -9.336 1.00 0.00 C ATOM 1143 CD1 PHE A 76 12.954 13.252 -7.947 1.00 0.00 C ATOM 1144 CD2 PHE A 76 13.324 11.880 -9.914 1.00 0.00 C ATOM 1145 CE1 PHE A 76 13.485 12.239 -7.140 1.00 0.00 C ATOM 1146 CE2 PHE A 76 13.856 10.868 -9.106 1.00 0.00 C ATOM 1147 CZ PHE A 76 13.937 11.047 -7.719 1.00 0.00 C ATOM 0 H PHE A 76 12.341 16.365 -11.556 1.00 0.00 H new ATOM 0 HA PHE A 76 12.055 15.640 -8.628 1.00 0.00 H new ATOM 0 HB2 PHE A 76 11.229 14.007 -10.354 1.00 0.00 H new ATOM 0 HB3 PHE A 76 12.755 14.119 -11.208 1.00 0.00 H new ATOM 0 HD1 PHE A 76 12.606 14.172 -7.500 1.00 0.00 H new ATOM 0 HD2 PHE A 76 13.261 11.740 -10.983 1.00 0.00 H new ATOM 0 HE1 PHE A 76 13.546 12.377 -6.071 1.00 0.00 H new ATOM 0 HE2 PHE A 76 14.204 9.948 -9.552 1.00 0.00 H new ATOM 0 HZ PHE A 76 14.348 10.266 -7.097 1.00 0.00 H new ATOM 1157 N ALA A 77 14.431 15.985 -8.129 1.00 0.00 N ATOM 1158 CA ALA A 77 15.875 16.218 -7.819 1.00 0.00 C ATOM 1159 C ALA A 77 16.429 17.358 -8.679 1.00 0.00 C ATOM 1160 O ALA A 77 17.607 17.405 -8.975 1.00 0.00 O ATOM 1161 CB ALA A 77 16.576 14.901 -8.159 1.00 0.00 C ATOM 0 H ALA A 77 13.808 16.008 -7.321 1.00 0.00 H new ATOM 0 HA ALA A 77 16.028 16.504 -6.778 1.00 0.00 H new ATOM 0 HB1 ALA A 77 17.643 14.994 -7.957 1.00 0.00 H new ATOM 0 HB2 ALA A 77 16.160 14.099 -7.549 1.00 0.00 H new ATOM 0 HB3 ALA A 77 16.425 14.670 -9.214 1.00 0.00 H new ATOM 1167 N GLY A 78 15.589 18.275 -9.082 1.00 0.00 N ATOM 1168 CA GLY A 78 16.068 19.408 -9.923 1.00 0.00 C ATOM 1169 C GLY A 78 16.203 18.946 -11.375 1.00 0.00 C ATOM 1170 O GLY A 78 16.947 19.515 -12.150 1.00 0.00 O ATOM 0 H GLY A 78 14.593 18.287 -8.864 1.00 0.00 H new ATOM 0 HA2 GLY A 78 15.369 20.242 -9.859 1.00 0.00 H new ATOM 0 HA3 GLY A 78 17.029 19.768 -9.554 1.00 0.00 H new ATOM 1174 N LYS A 79 15.486 17.920 -11.750 1.00 0.00 N ATOM 1175 CA LYS A 79 15.569 17.420 -13.152 1.00 0.00 C ATOM 1176 C LYS A 79 14.181 17.439 -13.794 1.00 0.00 C ATOM 1177 O LYS A 79 13.253 18.018 -13.265 1.00 0.00 O ATOM 1178 CB LYS A 79 16.091 15.986 -13.033 1.00 0.00 C ATOM 1179 CG LYS A 79 17.246 15.778 -14.015 1.00 0.00 C ATOM 1180 CD LYS A 79 17.777 14.349 -13.880 1.00 0.00 C ATOM 1181 CE LYS A 79 18.494 13.948 -15.171 1.00 0.00 C ATOM 1182 NZ LYS A 79 19.863 14.520 -15.041 1.00 0.00 N ATOM 0 H LYS A 79 14.846 17.406 -11.144 1.00 0.00 H new ATOM 0 HA LYS A 79 16.218 18.034 -13.776 1.00 0.00 H new ATOM 0 HB2 LYS A 79 16.427 15.794 -12.014 1.00 0.00 H new ATOM 0 HB3 LYS A 79 15.290 15.278 -13.243 1.00 0.00 H new ATOM 0 HG2 LYS A 79 16.907 15.957 -15.035 1.00 0.00 H new ATOM 0 HG3 LYS A 79 18.043 16.494 -13.814 1.00 0.00 H new ATOM 0 HD2 LYS A 79 18.462 14.282 -13.035 1.00 0.00 H new ATOM 0 HD3 LYS A 79 16.955 13.662 -13.679 1.00 0.00 H new ATOM 0 HE2 LYS A 79 18.527 12.864 -15.284 1.00 0.00 H new ATOM 0 HE3 LYS A 79 17.981 14.345 -16.047 1.00 0.00 H new ATOM 0 HZ1 LYS A 79 20.418 14.288 -15.889 1.00 0.00 H new ATOM 0 HZ2 LYS A 79 19.799 15.553 -14.941 1.00 0.00 H new ATOM 0 HZ3 LYS A 79 20.329 14.119 -14.202 1.00 0.00 H new ATOM 1196 N ILE A 80 14.026 16.802 -14.923 1.00 0.00 N ATOM 1197 CA ILE A 80 12.689 16.782 -15.590 1.00 0.00 C ATOM 1198 C ILE A 80 12.099 15.374 -15.563 1.00 0.00 C ATOM 1199 O ILE A 80 12.133 14.662 -16.545 1.00 0.00 O ATOM 1200 CB ILE A 80 12.892 17.239 -17.048 1.00 0.00 C ATOM 1201 CG1 ILE A 80 14.309 16.915 -17.547 1.00 0.00 C ATOM 1202 CG2 ILE A 80 12.666 18.748 -17.143 1.00 0.00 C ATOM 1203 CD1 ILE A 80 14.499 15.398 -17.607 1.00 0.00 C ATOM 0 H ILE A 80 14.764 16.296 -15.412 1.00 0.00 H new ATOM 0 HA ILE A 80 11.997 17.444 -15.069 1.00 0.00 H new ATOM 0 HB ILE A 80 12.176 16.704 -17.671 1.00 0.00 H new ATOM 0 HG12 ILE A 80 14.466 17.350 -18.534 1.00 0.00 H new ATOM 0 HG13 ILE A 80 15.050 17.358 -16.881 1.00 0.00 H new ATOM 0 HG21 ILE A 80 12.809 19.073 -18.173 1.00 0.00 H new ATOM 0 HG22 ILE A 80 11.650 18.984 -16.826 1.00 0.00 H new ATOM 0 HG23 ILE A 80 13.377 19.264 -16.498 1.00 0.00 H new ATOM 0 HD11 ILE A 80 15.505 15.171 -17.961 1.00 0.00 H new ATOM 0 HD12 ILE A 80 14.360 14.974 -16.612 1.00 0.00 H new ATOM 0 HD13 ILE A 80 13.768 14.966 -18.290 1.00 0.00 H new ATOM 1215 N LEU A 81 11.537 14.971 -14.453 1.00 0.00 N ATOM 1216 CA LEU A 81 10.925 13.612 -14.391 1.00 0.00 C ATOM 1217 C LEU A 81 9.796 13.540 -15.419 1.00 0.00 C ATOM 1218 O LEU A 81 8.657 13.862 -15.131 1.00 0.00 O ATOM 1219 CB LEU A 81 10.385 13.474 -12.964 1.00 0.00 C ATOM 1220 CG LEU A 81 9.621 12.150 -12.819 1.00 0.00 C ATOM 1221 CD1 LEU A 81 10.332 11.255 -11.803 1.00 0.00 C ATOM 1222 CD2 LEU A 81 8.196 12.428 -12.332 1.00 0.00 C ATOM 0 H LEU A 81 11.476 15.519 -13.595 1.00 0.00 H new ATOM 0 HA LEU A 81 11.629 12.811 -14.616 1.00 0.00 H new ATOM 0 HB2 LEU A 81 11.208 13.509 -12.250 1.00 0.00 H new ATOM 0 HB3 LEU A 81 9.726 14.311 -12.733 1.00 0.00 H new ATOM 0 HG LEU A 81 9.586 11.650 -13.787 1.00 0.00 H new ATOM 0 HD11 LEU A 81 9.788 10.316 -11.702 1.00 0.00 H new ATOM 0 HD12 LEU A 81 11.347 11.051 -12.145 1.00 0.00 H new ATOM 0 HD13 LEU A 81 10.369 11.759 -10.837 1.00 0.00 H new ATOM 0 HD21 LEU A 81 7.656 11.487 -12.230 1.00 0.00 H new ATOM 0 HD22 LEU A 81 8.233 12.931 -11.366 1.00 0.00 H new ATOM 0 HD23 LEU A 81 7.683 13.064 -13.053 1.00 0.00 H new ATOM 1234 N LYS A 82 10.112 13.152 -16.625 1.00 0.00 N ATOM 1235 CA LYS A 82 9.068 13.087 -17.681 1.00 0.00 C ATOM 1236 C LYS A 82 9.463 12.091 -18.780 1.00 0.00 C ATOM 1237 O LYS A 82 10.100 11.093 -18.519 1.00 0.00 O ATOM 1238 CB LYS A 82 8.994 14.510 -18.235 1.00 0.00 C ATOM 1239 CG LYS A 82 7.577 14.776 -18.736 1.00 0.00 C ATOM 1240 CD LYS A 82 7.597 15.918 -19.755 1.00 0.00 C ATOM 1241 CE LYS A 82 7.821 15.348 -21.158 1.00 0.00 C ATOM 1242 NZ LYS A 82 7.245 16.366 -22.082 1.00 0.00 N ATOM 0 H LYS A 82 11.048 12.878 -16.922 1.00 0.00 H new ATOM 0 HA LYS A 82 8.109 12.744 -17.294 1.00 0.00 H new ATOM 0 HB2 LYS A 82 9.261 15.230 -17.461 1.00 0.00 H new ATOM 0 HB3 LYS A 82 9.710 14.635 -19.047 1.00 0.00 H new ATOM 0 HG2 LYS A 82 7.167 13.875 -19.193 1.00 0.00 H new ATOM 0 HG3 LYS A 82 6.927 15.033 -17.899 1.00 0.00 H new ATOM 0 HD2 LYS A 82 6.656 16.467 -19.720 1.00 0.00 H new ATOM 0 HD3 LYS A 82 8.388 16.626 -19.508 1.00 0.00 H new ATOM 0 HE2 LYS A 82 8.881 15.190 -21.356 1.00 0.00 H new ATOM 0 HE3 LYS A 82 7.328 14.383 -21.276 1.00 0.00 H new ATOM 0 HZ1 LYS A 82 6.892 15.896 -22.940 1.00 0.00 H new ATOM 0 HZ2 LYS A 82 6.460 16.859 -21.610 1.00 0.00 H new ATOM 0 HZ3 LYS A 82 7.980 17.054 -22.342 1.00 0.00 H new ATOM 1256 N ASP A 83 9.088 12.360 -20.007 1.00 0.00 N ATOM 1257 CA ASP A 83 9.428 11.428 -21.124 1.00 0.00 C ATOM 1258 C ASP A 83 10.942 11.320 -21.294 1.00 0.00 C ATOM 1259 O ASP A 83 11.440 10.414 -21.935 1.00 0.00 O ATOM 1260 CB ASP A 83 8.779 12.041 -22.365 1.00 0.00 C ATOM 1261 CG ASP A 83 9.072 11.163 -23.584 1.00 0.00 C ATOM 1262 OD1 ASP A 83 9.062 9.953 -23.435 1.00 0.00 O ATOM 1263 OD2 ASP A 83 9.303 11.718 -24.646 1.00 0.00 O ATOM 0 H ASP A 83 8.560 13.188 -20.282 1.00 0.00 H new ATOM 0 HA ASP A 83 9.068 10.416 -20.938 1.00 0.00 H new ATOM 0 HB2 ASP A 83 7.703 12.130 -22.219 1.00 0.00 H new ATOM 0 HB3 ASP A 83 9.163 13.048 -22.529 1.00 0.00 H new ATOM 1268 N GLN A 84 11.680 12.226 -20.715 1.00 0.00 N ATOM 1269 CA GLN A 84 13.163 12.169 -20.828 1.00 0.00 C ATOM 1270 C GLN A 84 13.664 10.784 -20.414 1.00 0.00 C ATOM 1271 O GLN A 84 14.671 10.308 -20.903 1.00 0.00 O ATOM 1272 CB GLN A 84 13.680 13.239 -19.867 1.00 0.00 C ATOM 1273 CG GLN A 84 13.722 14.595 -20.580 1.00 0.00 C ATOM 1274 CD GLN A 84 15.162 15.111 -20.617 1.00 0.00 C ATOM 1275 OE1 GLN A 84 16.097 14.335 -20.633 1.00 0.00 O ATOM 1276 NE2 GLN A 84 15.380 16.397 -20.631 1.00 0.00 N ATOM 0 H GLN A 84 11.318 13.006 -20.167 1.00 0.00 H new ATOM 0 HA GLN A 84 13.508 12.343 -21.847 1.00 0.00 H new ATOM 0 HB2 GLN A 84 13.034 13.298 -18.991 1.00 0.00 H new ATOM 0 HB3 GLN A 84 14.676 12.973 -19.512 1.00 0.00 H new ATOM 0 HG2 GLN A 84 13.334 14.496 -21.594 1.00 0.00 H new ATOM 0 HG3 GLN A 84 13.082 15.310 -20.062 1.00 0.00 H new ATOM 0 HE21 GLN A 84 14.595 17.048 -20.618 1.00 0.00 H new ATOM 0 HE22 GLN A 84 16.336 16.752 -20.655 1.00 0.00 H new ATOM 1285 N ASP A 85 12.974 10.135 -19.509 1.00 0.00 N ATOM 1286 CA ASP A 85 13.426 8.783 -19.067 1.00 0.00 C ATOM 1287 C ASP A 85 12.269 8.019 -18.422 1.00 0.00 C ATOM 1288 O ASP A 85 11.276 8.597 -18.029 1.00 0.00 O ATOM 1289 CB ASP A 85 14.527 9.050 -18.040 1.00 0.00 C ATOM 1290 CG ASP A 85 15.892 8.992 -18.728 1.00 0.00 C ATOM 1291 OD1 ASP A 85 16.171 7.987 -19.362 1.00 0.00 O ATOM 1292 OD2 ASP A 85 16.633 9.953 -18.611 1.00 0.00 O ATOM 0 H ASP A 85 12.125 10.480 -19.061 1.00 0.00 H new ATOM 0 HA ASP A 85 13.781 8.176 -19.900 1.00 0.00 H new ATOM 0 HB2 ASP A 85 14.381 10.028 -17.580 1.00 0.00 H new ATOM 0 HB3 ASP A 85 14.480 8.311 -17.240 1.00 0.00 H new ATOM 1297 N THR A 86 12.394 6.724 -18.303 1.00 0.00 N ATOM 1298 CA THR A 86 11.300 5.929 -17.678 1.00 0.00 C ATOM 1299 C THR A 86 11.343 6.103 -16.161 1.00 0.00 C ATOM 1300 O THR A 86 12.392 6.031 -15.551 1.00 0.00 O ATOM 1301 CB THR A 86 11.586 4.474 -18.062 1.00 0.00 C ATOM 1302 OG1 THR A 86 12.240 4.433 -19.324 1.00 0.00 O ATOM 1303 CG2 THR A 86 10.274 3.696 -18.144 1.00 0.00 C ATOM 0 H THR A 86 13.203 6.185 -18.611 1.00 0.00 H new ATOM 0 HA THR A 86 10.312 6.244 -18.014 1.00 0.00 H new ATOM 0 HB THR A 86 12.228 4.023 -17.305 1.00 0.00 H new ATOM 0 HG1 THR A 86 12.424 3.502 -19.567 1.00 0.00 H new ATOM 0 HG21 THR A 86 10.481 2.661 -18.417 1.00 0.00 H new ATOM 0 HG22 THR A 86 9.774 3.722 -17.176 1.00 0.00 H new ATOM 0 HG23 THR A 86 9.629 4.148 -18.898 1.00 0.00 H new ATOM 1311 N LEU A 87 10.215 6.335 -15.545 1.00 0.00 N ATOM 1312 CA LEU A 87 10.202 6.517 -14.064 1.00 0.00 C ATOM 1313 C LEU A 87 10.834 5.308 -13.380 1.00 0.00 C ATOM 1314 O LEU A 87 11.570 5.444 -12.424 1.00 0.00 O ATOM 1315 CB LEU A 87 8.728 6.667 -13.688 1.00 0.00 C ATOM 1316 CG LEU A 87 8.479 8.110 -13.240 1.00 0.00 C ATOM 1317 CD1 LEU A 87 8.700 9.058 -14.419 1.00 0.00 C ATOM 1318 CD2 LEU A 87 7.046 8.247 -12.724 1.00 0.00 C ATOM 0 H LEU A 87 9.305 6.406 -16.001 1.00 0.00 H new ATOM 0 HA LEU A 87 10.778 7.386 -13.746 1.00 0.00 H new ATOM 0 HB2 LEU A 87 8.094 6.421 -14.540 1.00 0.00 H new ATOM 0 HB3 LEU A 87 8.470 5.973 -12.888 1.00 0.00 H new ATOM 0 HG LEU A 87 9.173 8.366 -12.440 1.00 0.00 H new ATOM 0 HD11 LEU A 87 8.522 10.085 -14.099 1.00 0.00 H new ATOM 0 HD12 LEU A 87 9.725 8.962 -14.776 1.00 0.00 H new ATOM 0 HD13 LEU A 87 8.010 8.805 -15.224 1.00 0.00 H new ATOM 0 HD21 LEU A 87 6.871 9.275 -12.406 1.00 0.00 H new ATOM 0 HD22 LEU A 87 6.347 7.989 -13.519 1.00 0.00 H new ATOM 0 HD23 LEU A 87 6.898 7.575 -11.879 1.00 0.00 H new ATOM 1330 N ILE A 88 10.578 4.130 -13.870 1.00 0.00 N ATOM 1331 CA ILE A 88 11.196 2.930 -13.247 1.00 0.00 C ATOM 1332 C ILE A 88 12.699 2.916 -13.541 1.00 0.00 C ATOM 1333 O ILE A 88 13.465 2.229 -12.893 1.00 0.00 O ATOM 1334 CB ILE A 88 10.509 1.740 -13.909 1.00 0.00 C ATOM 1335 CG1 ILE A 88 10.781 1.759 -15.419 1.00 0.00 C ATOM 1336 CG2 ILE A 88 8.998 1.814 -13.666 1.00 0.00 C ATOM 1337 CD1 ILE A 88 11.920 0.792 -15.748 1.00 0.00 C ATOM 0 H ILE A 88 9.972 3.946 -14.669 1.00 0.00 H new ATOM 0 HA ILE A 88 11.077 2.912 -12.164 1.00 0.00 H new ATOM 0 HB ILE A 88 10.902 0.818 -13.480 1.00 0.00 H new ATOM 0 HG12 ILE A 88 9.881 1.475 -15.964 1.00 0.00 H new ATOM 0 HG13 ILE A 88 11.043 2.768 -15.739 1.00 0.00 H new ATOM 0 HG21 ILE A 88 8.511 0.962 -14.141 1.00 0.00 H new ATOM 0 HG22 ILE A 88 8.800 1.794 -12.594 1.00 0.00 H new ATOM 0 HG23 ILE A 88 8.606 2.738 -14.090 1.00 0.00 H new ATOM 0 HD11 ILE A 88 12.112 0.807 -16.821 1.00 0.00 H new ATOM 0 HD12 ILE A 88 12.821 1.096 -15.214 1.00 0.00 H new ATOM 0 HD13 ILE A 88 11.640 -0.217 -15.443 1.00 0.00 H new ATOM 1349 N GLN A 89 13.121 3.670 -14.523 1.00 0.00 N ATOM 1350 CA GLN A 89 14.566 3.705 -14.876 1.00 0.00 C ATOM 1351 C GLN A 89 15.301 4.780 -14.068 1.00 0.00 C ATOM 1352 O GLN A 89 16.516 4.810 -14.037 1.00 0.00 O ATOM 1353 CB GLN A 89 14.599 4.046 -16.366 1.00 0.00 C ATOM 1354 CG GLN A 89 16.047 4.035 -16.862 1.00 0.00 C ATOM 1355 CD GLN A 89 16.068 3.866 -18.382 1.00 0.00 C ATOM 1356 OE1 GLN A 89 16.492 2.845 -18.886 1.00 0.00 O ATOM 1357 NE2 GLN A 89 15.625 4.833 -19.139 1.00 0.00 N ATOM 0 H GLN A 89 12.522 4.264 -15.096 1.00 0.00 H new ATOM 0 HA GLN A 89 15.060 2.759 -14.655 1.00 0.00 H new ATOM 0 HB2 GLN A 89 14.006 3.325 -16.928 1.00 0.00 H new ATOM 0 HB3 GLN A 89 14.153 5.026 -16.535 1.00 0.00 H new ATOM 0 HG2 GLN A 89 16.545 4.964 -16.582 1.00 0.00 H new ATOM 0 HG3 GLN A 89 16.598 3.223 -16.388 1.00 0.00 H new ATOM 0 HE21 GLN A 89 15.269 5.690 -18.716 1.00 0.00 H new ATOM 0 HE22 GLN A 89 15.635 4.732 -20.154 1.00 0.00 H new ATOM 1366 N HIS A 90 14.589 5.670 -13.416 1.00 0.00 N ATOM 1367 CA HIS A 90 15.285 6.736 -12.626 1.00 0.00 C ATOM 1368 C HIS A 90 14.277 7.670 -11.953 1.00 0.00 C ATOM 1369 O HIS A 90 14.517 8.185 -10.880 1.00 0.00 O ATOM 1370 CB HIS A 90 16.108 7.523 -13.651 1.00 0.00 C ATOM 1371 CG HIS A 90 17.525 7.660 -13.163 1.00 0.00 C ATOM 1372 ND1 HIS A 90 18.389 6.579 -13.091 1.00 0.00 N ATOM 1373 CD2 HIS A 90 18.242 8.745 -12.721 1.00 0.00 C ATOM 1374 CE1 HIS A 90 19.566 7.032 -12.621 1.00 0.00 C ATOM 1375 NE2 HIS A 90 19.531 8.345 -12.379 1.00 0.00 N ATOM 0 H HIS A 90 13.570 5.705 -13.396 1.00 0.00 H new ATOM 0 HA HIS A 90 15.898 6.304 -11.835 1.00 0.00 H new ATOM 0 HB2 HIS A 90 16.092 7.013 -14.614 1.00 0.00 H new ATOM 0 HB3 HIS A 90 15.669 8.509 -13.805 1.00 0.00 H new ATOM 0 HD1 HIS A 90 18.172 5.616 -13.347 1.00 0.00 H new ATOM 0 HD2 HIS A 90 17.864 9.754 -12.650 1.00 0.00 H new ATOM 0 HE1 HIS A 90 20.433 6.409 -12.459 1.00 0.00 H new ATOM 1383 N GLY A 91 13.164 7.910 -12.587 1.00 0.00 N ATOM 1384 CA GLY A 91 12.154 8.832 -12.000 1.00 0.00 C ATOM 1385 C GLY A 91 11.698 8.320 -10.633 1.00 0.00 C ATOM 1386 O GLY A 91 11.546 9.084 -9.700 1.00 0.00 O ATOM 0 H GLY A 91 12.910 7.506 -13.489 1.00 0.00 H new ATOM 0 HA2 GLY A 91 12.579 9.831 -11.898 1.00 0.00 H new ATOM 0 HA3 GLY A 91 11.297 8.917 -12.668 1.00 0.00 H new ATOM 1390 N ILE A 92 11.459 7.042 -10.505 1.00 0.00 N ATOM 1391 CA ILE A 92 10.994 6.507 -9.193 1.00 0.00 C ATOM 1392 C ILE A 92 11.847 5.318 -8.753 1.00 0.00 C ATOM 1393 O ILE A 92 12.350 4.563 -9.564 1.00 0.00 O ATOM 1394 CB ILE A 92 9.554 6.036 -9.421 1.00 0.00 C ATOM 1395 CG1 ILE A 92 8.862 6.934 -10.450 1.00 0.00 C ATOM 1396 CG2 ILE A 92 8.784 6.080 -8.098 1.00 0.00 C ATOM 1397 CD1 ILE A 92 8.821 8.380 -9.944 1.00 0.00 C ATOM 0 H ILE A 92 11.565 6.350 -11.247 1.00 0.00 H new ATOM 0 HA ILE A 92 11.067 7.269 -8.417 1.00 0.00 H new ATOM 0 HB ILE A 92 9.571 5.014 -9.798 1.00 0.00 H new ATOM 0 HG12 ILE A 92 9.394 6.888 -11.400 1.00 0.00 H new ATOM 0 HG13 ILE A 92 7.849 6.576 -10.634 1.00 0.00 H new ATOM 0 HG21 ILE A 92 7.760 5.745 -8.262 1.00 0.00 H new ATOM 0 HG22 ILE A 92 9.268 5.426 -7.373 1.00 0.00 H new ATOM 0 HG23 ILE A 92 8.775 7.101 -7.716 1.00 0.00 H new ATOM 0 HD11 ILE A 92 8.327 9.010 -10.683 1.00 0.00 H new ATOM 0 HD12 ILE A 92 8.269 8.421 -9.005 1.00 0.00 H new ATOM 0 HD13 ILE A 92 9.838 8.738 -9.783 1.00 0.00 H new ATOM 1409 N HIS A 93 11.983 5.132 -7.472 1.00 0.00 N ATOM 1410 CA HIS A 93 12.768 3.978 -6.954 1.00 0.00 C ATOM 1411 C HIS A 93 11.826 3.066 -6.166 1.00 0.00 C ATOM 1412 O HIS A 93 11.911 1.855 -6.227 1.00 0.00 O ATOM 1413 CB HIS A 93 13.826 4.591 -6.035 1.00 0.00 C ATOM 1414 CG HIS A 93 15.143 4.664 -6.759 1.00 0.00 C ATOM 1415 ND1 HIS A 93 15.235 5.043 -8.089 1.00 0.00 N ATOM 1416 CD2 HIS A 93 16.429 4.411 -6.352 1.00 0.00 C ATOM 1417 CE1 HIS A 93 16.536 5.007 -8.432 1.00 0.00 C ATOM 1418 NE2 HIS A 93 17.307 4.628 -7.409 1.00 0.00 N ATOM 0 H HIS A 93 11.581 5.735 -6.754 1.00 0.00 H new ATOM 0 HA HIS A 93 13.231 3.383 -7.742 1.00 0.00 H new ATOM 0 HB2 HIS A 93 13.516 5.588 -5.722 1.00 0.00 H new ATOM 0 HB3 HIS A 93 13.929 3.990 -5.131 1.00 0.00 H new ATOM 0 HD2 HIS A 93 16.716 4.092 -5.361 1.00 0.00 H new ATOM 0 HE1 HIS A 93 16.911 5.254 -9.414 1.00 0.00 H new ATOM 0 HE2 HIS A 93 18.321 4.521 -7.404 1.00 0.00 H new ATOM 1426 N ASP A 94 10.919 3.657 -5.434 1.00 0.00 N ATOM 1427 CA ASP A 94 9.936 2.868 -4.633 1.00 0.00 C ATOM 1428 C ASP A 94 9.008 3.828 -3.882 1.00 0.00 C ATOM 1429 O ASP A 94 8.597 3.570 -2.767 1.00 0.00 O ATOM 1430 CB ASP A 94 10.767 2.045 -3.644 1.00 0.00 C ATOM 1431 CG ASP A 94 11.684 2.972 -2.841 1.00 0.00 C ATOM 1432 OD1 ASP A 94 11.182 3.654 -1.964 1.00 0.00 O ATOM 1433 OD2 ASP A 94 12.871 2.983 -3.118 1.00 0.00 O ATOM 0 H ASP A 94 10.816 4.669 -5.356 1.00 0.00 H new ATOM 0 HA ASP A 94 9.316 2.225 -5.258 1.00 0.00 H new ATOM 0 HB2 ASP A 94 10.109 1.496 -2.970 1.00 0.00 H new ATOM 0 HB3 ASP A 94 11.362 1.306 -4.181 1.00 0.00 H new ATOM 1438 N GLY A 95 8.681 4.942 -4.487 1.00 0.00 N ATOM 1439 CA GLY A 95 7.790 5.931 -3.817 1.00 0.00 C ATOM 1440 C GLY A 95 8.555 7.239 -3.598 1.00 0.00 C ATOM 1441 O GLY A 95 8.884 7.594 -2.483 1.00 0.00 O ATOM 0 H GLY A 95 8.995 5.208 -5.420 1.00 0.00 H new ATOM 0 HA2 GLY A 95 6.905 6.112 -4.428 1.00 0.00 H new ATOM 0 HA3 GLY A 95 7.443 5.536 -2.862 1.00 0.00 H new ATOM 1445 N LEU A 96 8.847 7.957 -4.653 1.00 0.00 N ATOM 1446 CA LEU A 96 9.595 9.240 -4.501 1.00 0.00 C ATOM 1447 C LEU A 96 8.636 10.431 -4.586 1.00 0.00 C ATOM 1448 O LEU A 96 7.438 10.267 -4.705 1.00 0.00 O ATOM 1449 CB LEU A 96 10.582 9.263 -5.669 1.00 0.00 C ATOM 1450 CG LEU A 96 11.953 8.783 -5.189 1.00 0.00 C ATOM 1451 CD1 LEU A 96 12.818 8.416 -6.396 1.00 0.00 C ATOM 1452 CD2 LEU A 96 12.633 9.901 -4.397 1.00 0.00 C ATOM 0 H LEU A 96 8.600 7.710 -5.611 1.00 0.00 H new ATOM 0 HA LEU A 96 10.099 9.310 -3.537 1.00 0.00 H new ATOM 0 HB2 LEU A 96 10.223 8.623 -6.475 1.00 0.00 H new ATOM 0 HB3 LEU A 96 10.659 10.272 -6.074 1.00 0.00 H new ATOM 0 HG LEU A 96 11.829 7.907 -4.552 1.00 0.00 H new ATOM 0 HD11 LEU A 96 13.795 8.074 -6.053 1.00 0.00 H new ATOM 0 HD12 LEU A 96 12.333 7.621 -6.963 1.00 0.00 H new ATOM 0 HD13 LEU A 96 12.943 9.291 -7.034 1.00 0.00 H new ATOM 0 HD21 LEU A 96 13.610 9.561 -4.054 1.00 0.00 H new ATOM 0 HD22 LEU A 96 12.757 10.776 -5.035 1.00 0.00 H new ATOM 0 HD23 LEU A 96 12.017 10.164 -3.537 1.00 0.00 H new ATOM 1464 N THR A 97 9.157 11.629 -4.526 1.00 0.00 N ATOM 1465 CA THR A 97 8.278 12.833 -4.602 1.00 0.00 C ATOM 1466 C THR A 97 8.792 13.799 -5.676 1.00 0.00 C ATOM 1467 O THR A 97 9.983 13.963 -5.856 1.00 0.00 O ATOM 1468 CB THR A 97 8.361 13.475 -3.213 1.00 0.00 C ATOM 1469 OG1 THR A 97 7.562 14.650 -3.189 1.00 0.00 O ATOM 1470 CG2 THR A 97 9.814 13.836 -2.895 1.00 0.00 C ATOM 0 H THR A 97 10.153 11.825 -4.428 1.00 0.00 H new ATOM 0 HA THR A 97 7.253 12.579 -4.871 1.00 0.00 H new ATOM 0 HB THR A 97 7.996 12.770 -2.466 1.00 0.00 H new ATOM 0 HG1 THR A 97 7.612 15.062 -2.301 1.00 0.00 H new ATOM 0 HG21 THR A 97 9.868 14.292 -1.906 1.00 0.00 H new ATOM 0 HG22 THR A 97 10.425 12.934 -2.912 1.00 0.00 H new ATOM 0 HG23 THR A 97 10.185 14.540 -3.640 1.00 0.00 H new ATOM 1478 N VAL A 98 7.901 14.436 -6.389 1.00 0.00 N ATOM 1479 CA VAL A 98 8.339 15.391 -7.452 1.00 0.00 C ATOM 1480 C VAL A 98 7.336 16.541 -7.583 1.00 0.00 C ATOM 1481 O VAL A 98 6.147 16.364 -7.402 1.00 0.00 O ATOM 1482 CB VAL A 98 8.379 14.563 -8.739 1.00 0.00 C ATOM 1483 CG1 VAL A 98 9.396 13.430 -8.584 1.00 0.00 C ATOM 1484 CG2 VAL A 98 6.995 13.969 -9.018 1.00 0.00 C ATOM 0 H VAL A 98 6.891 14.338 -6.283 1.00 0.00 H new ATOM 0 HA VAL A 98 9.306 15.841 -7.226 1.00 0.00 H new ATOM 0 HB VAL A 98 8.669 15.206 -9.570 1.00 0.00 H new ATOM 0 HG11 VAL A 98 9.425 12.840 -9.500 1.00 0.00 H new ATOM 0 HG12 VAL A 98 10.383 13.851 -8.392 1.00 0.00 H new ATOM 0 HG13 VAL A 98 9.105 12.791 -7.750 1.00 0.00 H new ATOM 0 HG21 VAL A 98 7.030 13.381 -9.935 1.00 0.00 H new ATOM 0 HG22 VAL A 98 6.700 13.328 -8.187 1.00 0.00 H new ATOM 0 HG23 VAL A 98 6.269 14.774 -9.131 1.00 0.00 H new ATOM 1494 N HIS A 99 7.809 17.718 -7.896 1.00 0.00 N ATOM 1495 CA HIS A 99 6.887 18.883 -8.038 1.00 0.00 C ATOM 1496 C HIS A 99 6.400 18.999 -9.486 1.00 0.00 C ATOM 1497 O HIS A 99 7.181 19.174 -10.401 1.00 0.00 O ATOM 1498 CB HIS A 99 7.730 20.102 -7.659 1.00 0.00 C ATOM 1499 CG HIS A 99 8.100 20.023 -6.204 1.00 0.00 C ATOM 1500 ND1 HIS A 99 7.175 20.233 -5.193 1.00 0.00 N ATOM 1501 CD2 HIS A 99 9.290 19.758 -5.573 1.00 0.00 C ATOM 1502 CE1 HIS A 99 7.817 20.092 -4.019 1.00 0.00 C ATOM 1503 NE2 HIS A 99 9.109 19.803 -4.194 1.00 0.00 N ATOM 0 H HIS A 99 8.795 17.923 -8.060 1.00 0.00 H new ATOM 0 HA HIS A 99 6.001 18.787 -7.411 1.00 0.00 H new ATOM 0 HB2 HIS A 99 8.630 20.140 -8.273 1.00 0.00 H new ATOM 0 HB3 HIS A 99 7.172 21.018 -7.854 1.00 0.00 H new ATOM 0 HD2 HIS A 99 10.225 19.547 -6.071 1.00 0.00 H new ATOM 0 HE1 HIS A 99 7.345 20.199 -3.053 1.00 0.00 H new ATOM 0 HE2 HIS A 99 9.812 19.648 -3.472 1.00 0.00 H new ATOM 1511 N LEU A 100 5.115 18.906 -9.700 1.00 0.00 N ATOM 1512 CA LEU A 100 4.579 19.013 -11.090 1.00 0.00 C ATOM 1513 C LEU A 100 4.582 20.476 -11.543 1.00 0.00 C ATOM 1514 O LEU A 100 4.236 21.368 -10.793 1.00 0.00 O ATOM 1515 CB LEU A 100 3.148 18.480 -11.009 1.00 0.00 C ATOM 1516 CG LEU A 100 2.573 18.335 -12.422 1.00 0.00 C ATOM 1517 CD1 LEU A 100 2.418 16.852 -12.764 1.00 0.00 C ATOM 1518 CD2 LEU A 100 1.204 19.017 -12.490 1.00 0.00 C ATOM 0 H LEU A 100 4.413 18.761 -8.974 1.00 0.00 H new ATOM 0 HA LEU A 100 5.179 18.454 -11.808 1.00 0.00 H new ATOM 0 HB2 LEU A 100 3.136 17.516 -10.500 1.00 0.00 H new ATOM 0 HB3 LEU A 100 2.529 19.158 -10.421 1.00 0.00 H new ATOM 0 HG LEU A 100 3.250 18.804 -13.136 1.00 0.00 H new ATOM 0 HD11 LEU A 100 2.009 16.751 -13.769 1.00 0.00 H new ATOM 0 HD12 LEU A 100 3.392 16.364 -12.718 1.00 0.00 H new ATOM 0 HD13 LEU A 100 1.743 16.382 -12.049 1.00 0.00 H new ATOM 0 HD21 LEU A 100 0.796 18.914 -13.495 1.00 0.00 H new ATOM 0 HD22 LEU A 100 0.528 18.549 -11.774 1.00 0.00 H new ATOM 0 HD23 LEU A 100 1.312 20.075 -12.249 1.00 0.00 H new ATOM 1530 N VAL A 101 4.971 20.728 -12.765 1.00 0.00 N ATOM 1531 CA VAL A 101 4.997 22.133 -13.268 1.00 0.00 C ATOM 1532 C VAL A 101 5.162 22.145 -14.791 1.00 0.00 C ATOM 1533 O VAL A 101 6.002 21.458 -15.338 1.00 0.00 O ATOM 1534 CB VAL A 101 6.206 22.778 -12.582 1.00 0.00 C ATOM 1535 CG1 VAL A 101 7.481 22.022 -12.965 1.00 0.00 C ATOM 1536 CG2 VAL A 101 6.329 24.237 -13.028 1.00 0.00 C ATOM 0 H VAL A 101 5.272 20.022 -13.437 1.00 0.00 H new ATOM 0 HA VAL A 101 4.075 22.671 -13.048 1.00 0.00 H new ATOM 0 HB VAL A 101 6.070 22.736 -11.501 1.00 0.00 H new ATOM 0 HG11 VAL A 101 8.339 22.483 -12.475 1.00 0.00 H new ATOM 0 HG12 VAL A 101 7.397 20.983 -12.647 1.00 0.00 H new ATOM 0 HG13 VAL A 101 7.616 22.061 -14.046 1.00 0.00 H new ATOM 0 HG21 VAL A 101 7.189 24.695 -12.540 1.00 0.00 H new ATOM 0 HG22 VAL A 101 6.461 24.277 -14.109 1.00 0.00 H new ATOM 0 HG23 VAL A 101 5.424 24.779 -12.753 1.00 0.00 H new ATOM 1546 N ILE A 102 4.365 22.921 -15.477 1.00 0.00 N ATOM 1547 CA ILE A 102 4.475 22.972 -16.967 1.00 0.00 C ATOM 1548 C ILE A 102 5.659 23.854 -17.382 1.00 0.00 C ATOM 1549 O ILE A 102 5.880 24.915 -16.830 1.00 0.00 O ATOM 1550 CB ILE A 102 3.139 23.552 -17.486 1.00 0.00 C ATOM 1551 CG1 ILE A 102 3.124 25.091 -17.385 1.00 0.00 C ATOM 1552 CG2 ILE A 102 1.965 22.973 -16.687 1.00 0.00 C ATOM 1553 CD1 ILE A 102 3.199 25.538 -15.922 1.00 0.00 C ATOM 0 H ILE A 102 3.645 23.520 -15.073 1.00 0.00 H new ATOM 0 HA ILE A 102 4.654 21.983 -17.389 1.00 0.00 H new ATOM 0 HB ILE A 102 3.038 23.273 -18.535 1.00 0.00 H new ATOM 0 HG12 ILE A 102 3.965 25.505 -17.941 1.00 0.00 H new ATOM 0 HG13 ILE A 102 2.216 25.482 -17.844 1.00 0.00 H new ATOM 0 HG21 ILE A 102 1.030 23.389 -17.062 1.00 0.00 H new ATOM 0 HG22 ILE A 102 1.950 21.889 -16.797 1.00 0.00 H new ATOM 0 HG23 ILE A 102 2.080 23.229 -15.634 1.00 0.00 H new ATOM 0 HD11 ILE A 102 3.187 26.627 -15.873 1.00 0.00 H new ATOM 0 HD12 ILE A 102 2.343 25.141 -15.376 1.00 0.00 H new ATOM 0 HD13 ILE A 102 4.120 25.165 -15.474 1.00 0.00 H new