USER MOD reduce.3.24.130724 H: found=0, std=0, add=1074, rem=0, adj=39 USER MOD reduce.3.24.130724 removed 1074 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 148 MET CE :methyl -177:sc= -0.559 (180deg=-0.583) USER MOD Set 1.2: A 156 CYS SG : rot 14:sc= 0.653 USER MOD Set 2.1: A 91 CYS SG : rot -160:sc= -2.8! USER MOD Set 2.2: A 93 THR OG1 : rot 89:sc= 0.171 USER MOD Set 3.1: A 87 TYR OH : rot 30:sc= 0 USER MOD Set 3.2: A 114 HIS : +bothHN:sc= -1.9 K(o=-1.9,f=-8!) USER MOD Set 4.1: A 67 HIS : no HE2:sc= -1.07 K(o=-2.1,f=-3.9) USER MOD Set 4.2: A 98 CYS SG : rot -38:sc= -0.923! USER MOD Set 4.3: A 101 CYS SG : rot -126:sc= -0.112 USER MOD Set 5.1: A 38 HIS : no HD1:sc= 0.0364 K(o=-2.4,f=-4.2) USER MOD Set 5.2: A 85 GLN : amide:sc= -2.47! C(o=-2.4!,f=-11!) USER MOD Single : A 31 CYS SG : rot 180:sc= -1.38 USER MOD Single : A 32 TYR OH : rot 60:sc= -2.51! USER MOD Single : A 37 MET CE :methyl -158:sc= -2.27 (180deg=-3.06!) USER MOD Single : A 39 ASN : amide:sc= -4.23! C(o=-4.2!,f=-5.1!) USER MOD Single : A 41 THR OG1 : rot 180:sc= 0.0411 USER MOD Single : A 71 CYS SG : rot 180:sc= 0 USER MOD Single : A 80 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 90 THR OG1 : rot 14:sc= 0.0336 USER MOD Single : A 94 SER OG : rot 180:sc= 0 USER MOD Single : A 96 SER OG : rot -158:sc= -3.41! USER MOD Single : A 100 SER OG : rot 110:sc= 0.501 USER MOD Single : A 103 GLN : amide:sc= 0 X(o=0,f=-0.036) USER MOD Single : A 105 MET CE :methyl -129:sc= -6.25! (180deg=-12.9!) USER MOD Single : A 107 LYS NZ :NH3+ 159:sc= -0.0701 (180deg=-0.436) USER MOD Single : A 110 SER OG : rot 180:sc= -0.714 USER MOD Single : A 111 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 112 ASN : amide:sc= -2.52! C(o=-2.5!,f=-11!) USER MOD Single : A 113 LYS NZ :NH3+ -136:sc= 0 (180deg=-0.0541) USER MOD Single : A 116 SER OG : rot 180:sc= 0 USER MOD Single : A 118 CYS SG : rot 180:sc= -0.186 USER MOD Single : A 121 THR OG1 : rot -144:sc= -0.428 USER MOD Single : A 125 TYR OH : rot -148:sc= -0.771 USER MOD Single : A 132 GLN : amide:sc= 0 X(o=0,f=-0.47) USER MOD Single : A 137 THR OG1 : rot 180:sc= 0 USER MOD Single : A 144 LYS NZ :NH3+ 150:sc= -0.153 (180deg=-0.665) USER MOD Single : A 146 SER OG : rot 53:sc= 0.648 USER MOD Single : A 149 THR OG1 : rot 61:sc= 0.497 USER MOD Single : A 150 TYR OH : rot 180:sc= 0 USER MOD Single : A 151 SER OG : rot 180:sc= 0 USER MOD Single : A 154 LYS NZ :NH3+ -136:sc= 0 (180deg=-0.65) USER MOD Single : A 155 HIS : no HD1:sc= 0 X(o=0,f=0) USER MOD Single : A 159 THR OG1 : rot 75:sc= 0.456 USER MOD Single : A 163 HIS : no HD1:sc= -4.98! C(o=-5!,f=-6.7!) USER MOD Single : A 164 GLN : amide:sc= 0 X(o=0,f=-0.033) USER MOD Single : A 166 CYS SG : rot 180:sc= -0.189! USER MOD Single : A 169 GLN : amide:sc= -0.0589 K(o=-0.059,f=-2.1!) USER MOD Single : A 177 HIS : no HD1:sc= -0.0705 X(o=-0.07,f=-0.016) USER MOD Single : A 178 SER OG : rot -140:sc= -2.8! USER MOD Single : A 179 GLN :FLIP amide:sc= -0.0534 F(o=-0.61,f=-0.053) USER MOD Single : A 182 SER OG : rot 180:sc= -0.603! USER MOD Single : A 190 GLN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 191 ASN : amide:sc= -3.27! C(o=-3.3!,f=-7.2!) USER MOD Single : A 192 GLN :FLIP amide:sc= -2.16 F(o=-3!,f=-2.2) USER MOD Single : A 194 ASN : amide:sc=-0.00824 K(o=-0.0082,f=-0.72) USER MOD ----------------------------------------------------------------- ATOM 489 N LEU A 30 5.045 -4.541 -4.687 1.00 0.00 N ATOM 490 CA LEU A 30 4.328 -3.955 -3.556 1.00 0.00 C ATOM 491 C LEU A 30 4.060 -4.996 -2.482 1.00 0.00 C ATOM 492 O LEU A 30 4.119 -6.200 -2.734 1.00 0.00 O ATOM 493 CB LEU A 30 3.005 -3.321 -4.021 1.00 0.00 C ATOM 494 CG LEU A 30 1.914 -4.395 -4.189 1.00 0.00 C ATOM 495 CD1 LEU A 30 1.022 -4.465 -2.938 1.00 0.00 C ATOM 496 CD2 LEU A 30 1.032 -4.038 -5.387 1.00 0.00 C ATOM 0 HA LEU A 30 4.959 -3.175 -3.129 1.00 0.00 H new ATOM 0 HB2 LEU A 30 2.679 -2.575 -3.296 1.00 0.00 H new ATOM 0 HB3 LEU A 30 3.158 -2.801 -4.966 1.00 0.00 H new ATOM 0 HG LEU A 30 2.401 -5.358 -4.341 1.00 0.00 H new ATOM 0 HD11 LEU A 30 0.258 -5.230 -3.078 1.00 0.00 H new ATOM 0 HD12 LEU A 30 1.632 -4.716 -2.070 1.00 0.00 H new ATOM 0 HD13 LEU A 30 0.543 -3.499 -2.778 1.00 0.00 H new ATOM 0 HD21 LEU A 30 0.259 -4.797 -5.508 1.00 0.00 H new ATOM 0 HD22 LEU A 30 0.565 -3.068 -5.219 1.00 0.00 H new ATOM 0 HD23 LEU A 30 1.643 -3.995 -6.289 1.00 0.00 H new ATOM 508 N CYS A 31 3.767 -4.514 -1.280 1.00 0.00 N ATOM 509 CA CYS A 31 3.481 -5.387 -0.149 1.00 0.00 C ATOM 510 C CYS A 31 2.160 -4.963 0.476 1.00 0.00 C ATOM 511 O CYS A 31 1.810 -3.783 0.445 1.00 0.00 O ATOM 512 CB CYS A 31 4.621 -5.287 0.880 1.00 0.00 C ATOM 513 SG CYS A 31 3.980 -5.457 2.569 1.00 0.00 S ATOM 0 H CYS A 31 3.721 -3.518 -1.063 1.00 0.00 H new ATOM 0 HA CYS A 31 3.405 -6.422 -0.482 1.00 0.00 H new ATOM 0 HB2 CYS A 31 5.361 -6.064 0.687 1.00 0.00 H new ATOM 0 HB3 CYS A 31 5.130 -4.329 0.774 1.00 0.00 H new ATOM 0 HG CYS A 31 4.962 -5.371 3.417 1.00 0.00 H new ATOM 519 N TYR A 32 1.423 -5.909 1.048 1.00 0.00 N ATOM 520 CA TYR A 32 0.153 -5.565 1.668 1.00 0.00 C ATOM 521 C TYR A 32 -0.010 -6.352 2.958 1.00 0.00 C ATOM 522 O TYR A 32 0.163 -7.571 2.985 1.00 0.00 O ATOM 523 CB TYR A 32 -0.999 -5.832 0.672 1.00 0.00 C ATOM 524 CG TYR A 32 -1.938 -6.893 1.193 1.00 0.00 C ATOM 525 CD1 TYR A 32 -1.654 -8.241 0.972 1.00 0.00 C ATOM 526 CD2 TYR A 32 -3.085 -6.523 1.895 1.00 0.00 C ATOM 527 CE1 TYR A 32 -2.519 -9.225 1.454 1.00 0.00 C ATOM 528 CE2 TYR A 32 -3.953 -7.505 2.376 1.00 0.00 C ATOM 529 CZ TYR A 32 -3.669 -8.857 2.155 1.00 0.00 C ATOM 530 OH TYR A 32 -4.519 -9.825 2.632 1.00 0.00 O ATOM 0 H TYR A 32 1.676 -6.896 1.095 1.00 0.00 H new ATOM 0 HA TYR A 32 0.129 -4.505 1.921 1.00 0.00 H new ATOM 0 HB2 TYR A 32 -1.551 -4.909 0.495 1.00 0.00 H new ATOM 0 HB3 TYR A 32 -0.588 -6.146 -0.287 1.00 0.00 H new ATOM 0 HD1 TYR A 32 -0.765 -8.523 0.428 1.00 0.00 H new ATOM 0 HD2 TYR A 32 -3.301 -5.479 2.066 1.00 0.00 H new ATOM 0 HE1 TYR A 32 -2.299 -10.269 1.285 1.00 0.00 H new ATOM 0 HE2 TYR A 32 -4.843 -7.221 2.918 1.00 0.00 H new ATOM 0 HH TYR A 32 -4.036 -10.406 3.256 1.00 0.00 H new ATOM 540 N GLU A 33 -0.317 -5.637 4.024 1.00 0.00 N ATOM 541 CA GLU A 33 -0.477 -6.245 5.328 1.00 0.00 C ATOM 542 C GLU A 33 -1.856 -5.952 5.890 1.00 0.00 C ATOM 543 O GLU A 33 -2.295 -4.802 5.923 1.00 0.00 O ATOM 544 CB GLU A 33 0.601 -5.676 6.242 1.00 0.00 C ATOM 545 CG GLU A 33 1.965 -6.233 5.821 1.00 0.00 C ATOM 546 CD GLU A 33 2.942 -6.161 6.990 1.00 0.00 C ATOM 547 OE1 GLU A 33 2.524 -6.436 8.103 1.00 0.00 O ATOM 548 OE2 GLU A 33 4.093 -5.833 6.755 1.00 0.00 O ATOM 0 H GLU A 33 -0.461 -4.627 4.010 1.00 0.00 H new ATOM 0 HA GLU A 33 -0.378 -7.328 5.252 1.00 0.00 H new ATOM 0 HB2 GLU A 33 0.606 -4.588 6.184 1.00 0.00 H new ATOM 0 HB3 GLU A 33 0.392 -5.939 7.279 1.00 0.00 H new ATOM 0 HG2 GLU A 33 1.858 -7.266 5.489 1.00 0.00 H new ATOM 0 HG3 GLU A 33 2.354 -5.665 4.976 1.00 0.00 H new ATOM 555 N VAL A 34 -2.544 -7.000 6.322 1.00 0.00 N ATOM 556 CA VAL A 34 -3.879 -6.839 6.872 1.00 0.00 C ATOM 557 C VAL A 34 -4.106 -7.757 8.055 1.00 0.00 C ATOM 558 O VAL A 34 -3.516 -8.831 8.156 1.00 0.00 O ATOM 559 CB VAL A 34 -4.928 -7.148 5.810 1.00 0.00 C ATOM 560 CG1 VAL A 34 -4.686 -8.546 5.234 1.00 0.00 C ATOM 561 CG2 VAL A 34 -6.322 -7.079 6.446 1.00 0.00 C ATOM 0 H VAL A 34 -2.203 -7.961 6.302 1.00 0.00 H new ATOM 0 HA VAL A 34 -3.970 -5.804 7.203 1.00 0.00 H new ATOM 0 HB VAL A 34 -4.859 -6.418 5.003 1.00 0.00 H new ATOM 0 HG11 VAL A 34 -5.438 -8.762 4.475 1.00 0.00 H new ATOM 0 HG12 VAL A 34 -3.694 -8.587 4.784 1.00 0.00 H new ATOM 0 HG13 VAL A 34 -4.753 -9.285 6.032 1.00 0.00 H new ATOM 0 HG21 VAL A 34 -7.077 -7.299 5.692 1.00 0.00 H new ATOM 0 HG22 VAL A 34 -6.391 -7.809 7.252 1.00 0.00 H new ATOM 0 HG23 VAL A 34 -6.490 -6.079 6.847 1.00 0.00 H new ATOM 571 N GLU A 35 -4.995 -7.325 8.932 1.00 0.00 N ATOM 572 CA GLU A 35 -5.348 -8.100 10.103 1.00 0.00 C ATOM 573 C GLU A 35 -6.847 -7.987 10.330 1.00 0.00 C ATOM 574 O GLU A 35 -7.475 -7.028 9.884 1.00 0.00 O ATOM 575 CB GLU A 35 -4.587 -7.599 11.333 1.00 0.00 C ATOM 576 CG GLU A 35 -4.780 -6.089 11.473 1.00 0.00 C ATOM 577 CD GLU A 35 -3.761 -5.348 10.610 1.00 0.00 C ATOM 578 OE1 GLU A 35 -2.986 -6.010 9.940 1.00 0.00 O ATOM 579 OE2 GLU A 35 -3.774 -4.129 10.626 1.00 0.00 O ATOM 0 H GLU A 35 -5.487 -6.435 8.852 1.00 0.00 H new ATOM 0 HA GLU A 35 -5.075 -9.143 9.943 1.00 0.00 H new ATOM 0 HB2 GLU A 35 -4.947 -8.107 12.228 1.00 0.00 H new ATOM 0 HB3 GLU A 35 -3.527 -7.833 11.238 1.00 0.00 H new ATOM 0 HG2 GLU A 35 -5.791 -5.814 11.172 1.00 0.00 H new ATOM 0 HG3 GLU A 35 -4.667 -5.795 12.517 1.00 0.00 H new ATOM 586 N ARG A 36 -7.425 -8.972 10.999 1.00 0.00 N ATOM 587 CA ARG A 36 -8.864 -8.966 11.245 1.00 0.00 C ATOM 588 C ARG A 36 -9.187 -8.639 12.699 1.00 0.00 C ATOM 589 O ARG A 36 -8.395 -8.906 13.605 1.00 0.00 O ATOM 590 CB ARG A 36 -9.443 -10.337 10.881 1.00 0.00 C ATOM 591 CG ARG A 36 -8.381 -11.414 11.120 1.00 0.00 C ATOM 592 CD ARG A 36 -8.997 -12.812 10.956 1.00 0.00 C ATOM 593 NE ARG A 36 -9.217 -13.409 12.267 1.00 0.00 N ATOM 594 CZ ARG A 36 -9.040 -14.710 12.477 1.00 0.00 C ATOM 595 NH1 ARG A 36 -8.698 -15.498 11.496 1.00 0.00 N ATOM 596 NH2 ARG A 36 -9.218 -15.202 13.670 1.00 0.00 N ATOM 0 H ARG A 36 -6.929 -9.779 11.379 1.00 0.00 H new ATOM 0 HA ARG A 36 -9.313 -8.190 10.625 1.00 0.00 H new ATOM 0 HB2 ARG A 36 -10.328 -10.542 11.483 1.00 0.00 H new ATOM 0 HB3 ARG A 36 -9.758 -10.346 9.838 1.00 0.00 H new ATOM 0 HG2 ARG A 36 -7.558 -11.286 10.416 1.00 0.00 H new ATOM 0 HG3 ARG A 36 -7.964 -11.308 12.121 1.00 0.00 H new ATOM 0 HD2 ARG A 36 -9.940 -12.743 10.414 1.00 0.00 H new ATOM 0 HD3 ARG A 36 -8.335 -13.444 10.364 1.00 0.00 H new ATOM 0 HE ARG A 36 -9.514 -12.815 13.041 1.00 0.00 H new ATOM 0 HH11 ARG A 36 -8.564 -15.118 10.559 1.00 0.00 H new ATOM 0 HH12 ARG A 36 -8.564 -16.495 11.666 1.00 0.00 H new ATOM 0 HH21 ARG A 36 -9.492 -14.590 14.438 1.00 0.00 H new ATOM 0 HH22 ARG A 36 -9.083 -16.199 13.836 1.00 0.00 H new ATOM 610 N MET A 37 -10.376 -8.080 12.906 1.00 0.00 N ATOM 611 CA MET A 37 -10.839 -7.739 14.244 1.00 0.00 C ATOM 612 C MET A 37 -11.803 -8.811 14.721 1.00 0.00 C ATOM 613 O MET A 37 -12.853 -9.015 14.112 1.00 0.00 O ATOM 614 CB MET A 37 -11.538 -6.379 14.246 1.00 0.00 C ATOM 615 CG MET A 37 -10.574 -5.290 13.748 1.00 0.00 C ATOM 616 SD MET A 37 -9.650 -4.577 15.137 1.00 0.00 S ATOM 617 CE MET A 37 -11.067 -4.007 16.104 1.00 0.00 C ATOM 0 H MET A 37 -11.036 -7.854 12.162 1.00 0.00 H new ATOM 0 HA MET A 37 -9.980 -7.683 14.913 1.00 0.00 H new ATOM 0 HB2 MET A 37 -12.421 -6.414 13.608 1.00 0.00 H new ATOM 0 HB3 MET A 37 -11.882 -6.139 15.252 1.00 0.00 H new ATOM 0 HG2 MET A 37 -9.881 -5.714 13.022 1.00 0.00 H new ATOM 0 HG3 MET A 37 -11.133 -4.507 13.235 1.00 0.00 H new ATOM 0 HE1 MET A 37 -10.749 -3.216 16.784 1.00 0.00 H new ATOM 0 HE2 MET A 37 -11.834 -3.622 15.433 1.00 0.00 H new ATOM 0 HE3 MET A 37 -11.473 -4.839 16.680 1.00 0.00 H new ATOM 627 N HIS A 38 -11.453 -9.483 15.812 1.00 0.00 N ATOM 628 CA HIS A 38 -12.310 -10.526 16.353 1.00 0.00 C ATOM 629 C HIS A 38 -13.284 -9.895 17.310 1.00 0.00 C ATOM 630 O HIS A 38 -12.938 -9.588 18.446 1.00 0.00 O ATOM 631 CB HIS A 38 -11.484 -11.585 17.089 1.00 0.00 C ATOM 632 CG HIS A 38 -12.363 -12.757 17.433 1.00 0.00 C ATOM 633 ND1 HIS A 38 -13.081 -13.450 16.471 1.00 0.00 N ATOM 634 CD2 HIS A 38 -12.644 -13.374 18.628 1.00 0.00 C ATOM 635 CE1 HIS A 38 -13.754 -14.433 17.095 1.00 0.00 C ATOM 636 NE2 HIS A 38 -13.524 -14.433 18.411 1.00 0.00 N ATOM 0 H HIS A 38 -10.591 -9.325 16.333 1.00 0.00 H new ATOM 0 HA HIS A 38 -12.839 -11.015 15.535 1.00 0.00 H new ATOM 0 HB2 HIS A 38 -10.652 -11.911 16.465 1.00 0.00 H new ATOM 0 HB3 HIS A 38 -11.054 -11.160 17.996 1.00 0.00 H new ATOM 0 HD2 HIS A 38 -12.244 -13.083 19.588 1.00 0.00 H new ATOM 0 HE1 HIS A 38 -14.402 -15.137 16.593 1.00 0.00 H new ATOM 0 HE2 HIS A 38 -13.910 -15.071 19.107 1.00 0.00 H new ATOM 645 N ASN A 39 -14.490 -9.657 16.847 1.00 0.00 N ATOM 646 CA ASN A 39 -15.447 -9.016 17.702 1.00 0.00 C ATOM 647 C ASN A 39 -14.931 -7.623 18.010 1.00 0.00 C ATOM 648 O ASN A 39 -14.083 -7.089 17.296 1.00 0.00 O ATOM 649 CB ASN A 39 -15.586 -9.811 19.006 1.00 0.00 C ATOM 650 CG ASN A 39 -16.934 -9.551 19.649 1.00 0.00 C ATOM 651 OD1 ASN A 39 -17.816 -8.948 19.038 1.00 0.00 O ATOM 652 ND2 ASN A 39 -17.146 -9.984 20.857 1.00 0.00 N ATOM 0 H ASN A 39 -14.820 -9.891 15.911 1.00 0.00 H new ATOM 0 HA ASN A 39 -16.421 -8.966 17.216 1.00 0.00 H new ATOM 0 HB2 ASN A 39 -15.474 -10.876 18.803 1.00 0.00 H new ATOM 0 HB3 ASN A 39 -14.789 -9.532 19.695 1.00 0.00 H new ATOM 0 HD21 ASN A 39 -18.048 -9.825 21.305 1.00 0.00 H new ATOM 0 HD22 ASN A 39 -16.410 -10.483 21.356 1.00 0.00 H new ATOM 659 N ASP A 40 -15.434 -7.052 19.073 1.00 0.00 N ATOM 660 CA ASP A 40 -15.024 -5.726 19.495 1.00 0.00 C ATOM 661 C ASP A 40 -13.512 -5.616 19.711 1.00 0.00 C ATOM 662 O ASP A 40 -13.074 -4.692 20.399 1.00 0.00 O ATOM 663 CB ASP A 40 -15.707 -5.389 20.813 1.00 0.00 C ATOM 664 CG ASP A 40 -17.174 -5.044 20.577 1.00 0.00 C ATOM 665 OD1 ASP A 40 -17.461 -3.878 20.356 1.00 0.00 O ATOM 666 OD2 ASP A 40 -17.991 -5.949 20.626 1.00 0.00 O ATOM 0 H ASP A 40 -16.136 -7.485 19.672 1.00 0.00 H new ATOM 0 HA ASP A 40 -15.308 -5.037 18.700 1.00 0.00 H new ATOM 0 HB2 ASP A 40 -15.631 -6.235 21.496 1.00 0.00 H new ATOM 0 HB3 ASP A 40 -15.201 -4.549 21.288 1.00 0.00 H new ATOM 671 N THR A 41 -12.695 -6.545 19.182 1.00 0.00 N ATOM 672 CA THR A 41 -11.262 -6.456 19.426 1.00 0.00 C ATOM 673 C THR A 41 -10.421 -6.683 18.185 1.00 0.00 C ATOM 674 O THR A 41 -10.931 -6.978 17.108 1.00 0.00 O ATOM 675 CB THR A 41 -10.886 -7.415 20.542 1.00 0.00 C ATOM 676 OG1 THR A 41 -9.688 -6.967 21.160 1.00 0.00 O ATOM 677 CG2 THR A 41 -10.683 -8.839 20.010 1.00 0.00 C ATOM 0 H THR A 41 -12.995 -7.332 18.607 1.00 0.00 H new ATOM 0 HA THR A 41 -11.041 -5.433 19.731 1.00 0.00 H new ATOM 0 HB THR A 41 -11.701 -7.435 21.266 1.00 0.00 H new ATOM 0 HG1 THR A 41 -9.443 -7.582 21.882 1.00 0.00 H new ATOM 0 HG21 THR A 41 -10.415 -9.500 20.834 1.00 0.00 H new ATOM 0 HG22 THR A 41 -11.606 -9.190 19.548 1.00 0.00 H new ATOM 0 HG23 THR A 41 -9.884 -8.840 19.269 1.00 0.00 H new ATOM 685 N TRP A 42 -9.119 -6.493 18.354 1.00 0.00 N ATOM 686 CA TRP A 42 -8.179 -6.616 17.239 1.00 0.00 C ATOM 687 C TRP A 42 -7.316 -7.870 17.309 1.00 0.00 C ATOM 688 O TRP A 42 -6.988 -8.374 18.383 1.00 0.00 O ATOM 689 CB TRP A 42 -7.303 -5.353 17.163 1.00 0.00 C ATOM 690 CG TRP A 42 -6.083 -5.492 18.021 1.00 0.00 C ATOM 691 CD1 TRP A 42 -6.038 -6.092 19.234 1.00 0.00 C ATOM 692 CD2 TRP A 42 -4.731 -5.019 17.749 1.00 0.00 C ATOM 693 NE1 TRP A 42 -4.741 -6.027 19.714 1.00 0.00 N ATOM 694 CE2 TRP A 42 -3.904 -5.375 18.837 1.00 0.00 C ATOM 695 CE3 TRP A 42 -4.147 -4.327 16.671 1.00 0.00 C ATOM 696 CZ2 TRP A 42 -2.550 -5.056 18.862 1.00 0.00 C ATOM 697 CZ3 TRP A 42 -2.780 -4.003 16.691 1.00 0.00 C ATOM 698 CH2 TRP A 42 -1.982 -4.367 17.786 1.00 0.00 C ATOM 0 H TRP A 42 -8.688 -6.254 19.247 1.00 0.00 H new ATOM 0 HA TRP A 42 -8.771 -6.714 16.329 1.00 0.00 H new ATOM 0 HB2 TRP A 42 -7.006 -5.174 16.130 1.00 0.00 H new ATOM 0 HB3 TRP A 42 -7.880 -4.486 17.484 1.00 0.00 H new ATOM 0 HD1 TRP A 42 -6.875 -6.546 19.743 1.00 0.00 H new ATOM 0 HE1 TRP A 42 -4.442 -6.415 20.609 1.00 0.00 H new ATOM 0 HE3 TRP A 42 -4.753 -4.043 15.824 1.00 0.00 H new ATOM 0 HZ2 TRP A 42 -1.941 -5.339 19.708 1.00 0.00 H new ATOM 0 HZ3 TRP A 42 -2.341 -3.471 15.860 1.00 0.00 H new ATOM 0 HH2 TRP A 42 -0.932 -4.116 17.798 1.00 0.00 H new ATOM 709 N VAL A 43 -6.959 -8.360 16.121 1.00 0.00 N ATOM 710 CA VAL A 43 -6.134 -9.551 15.979 1.00 0.00 C ATOM 711 C VAL A 43 -4.893 -9.211 15.164 1.00 0.00 C ATOM 712 O VAL A 43 -4.867 -8.206 14.459 1.00 0.00 O ATOM 713 CB VAL A 43 -6.914 -10.665 15.272 1.00 0.00 C ATOM 714 CG1 VAL A 43 -6.253 -12.019 15.551 1.00 0.00 C ATOM 715 CG2 VAL A 43 -8.358 -10.696 15.778 1.00 0.00 C ATOM 0 H VAL A 43 -7.235 -7.940 15.234 1.00 0.00 H new ATOM 0 HA VAL A 43 -5.846 -9.898 16.971 1.00 0.00 H new ATOM 0 HB VAL A 43 -6.910 -10.470 14.200 1.00 0.00 H new ATOM 0 HG11 VAL A 43 -6.811 -12.807 15.046 1.00 0.00 H new ATOM 0 HG12 VAL A 43 -5.228 -12.007 15.181 1.00 0.00 H new ATOM 0 HG13 VAL A 43 -6.249 -12.208 16.625 1.00 0.00 H new ATOM 0 HG21 VAL A 43 -8.905 -11.491 15.270 1.00 0.00 H new ATOM 0 HG22 VAL A 43 -8.363 -10.881 16.852 1.00 0.00 H new ATOM 0 HG23 VAL A 43 -8.836 -9.738 15.573 1.00 0.00 H new ATOM 1080 N ARG A 66 -5.565 -3.624 -11.124 1.00 0.00 N ATOM 1081 CA ARG A 66 -5.883 -3.608 -9.700 1.00 0.00 C ATOM 1082 C ARG A 66 -4.668 -3.140 -8.902 1.00 0.00 C ATOM 1083 O ARG A 66 -3.570 -3.677 -9.053 1.00 0.00 O ATOM 1084 CB ARG A 66 -6.305 -5.015 -9.241 1.00 0.00 C ATOM 1085 CG ARG A 66 -7.834 -5.128 -9.237 1.00 0.00 C ATOM 1086 CD ARG A 66 -8.241 -6.556 -8.869 1.00 0.00 C ATOM 1087 NE ARG A 66 -7.616 -7.509 -9.779 1.00 0.00 N ATOM 1088 CZ ARG A 66 -7.894 -8.808 -9.713 1.00 0.00 C ATOM 1089 NH1 ARG A 66 -8.735 -9.253 -8.820 1.00 0.00 N ATOM 1090 NH2 ARG A 66 -7.322 -9.640 -10.541 1.00 0.00 N ATOM 0 HA ARG A 66 -6.708 -2.917 -9.527 1.00 0.00 H new ATOM 0 HB2 ARG A 66 -5.878 -5.767 -9.905 1.00 0.00 H new ATOM 0 HB3 ARG A 66 -5.915 -5.213 -8.243 1.00 0.00 H new ATOM 0 HG2 ARG A 66 -8.259 -4.422 -8.523 1.00 0.00 H new ATOM 0 HG3 ARG A 66 -8.231 -4.867 -10.218 1.00 0.00 H new ATOM 0 HD2 ARG A 66 -7.944 -6.773 -7.843 1.00 0.00 H new ATOM 0 HD3 ARG A 66 -9.325 -6.656 -8.915 1.00 0.00 H new ATOM 0 HE ARG A 66 -6.954 -7.173 -10.479 1.00 0.00 H new ATOM 0 HH11 ARG A 66 -9.180 -8.604 -8.171 1.00 0.00 H new ATOM 0 HH12 ARG A 66 -8.947 -10.250 -8.771 1.00 0.00 H new ATOM 0 HH21 ARG A 66 -6.663 -9.294 -11.238 1.00 0.00 H new ATOM 0 HH22 ARG A 66 -7.535 -10.636 -10.491 1.00 0.00 H new ATOM 1104 N HIS A 67 -4.871 -2.135 -8.055 1.00 0.00 N ATOM 1105 CA HIS A 67 -3.788 -1.598 -7.242 1.00 0.00 C ATOM 1106 C HIS A 67 -3.922 -2.080 -5.796 1.00 0.00 C ATOM 1107 O HIS A 67 -5.019 -2.384 -5.331 1.00 0.00 O ATOM 1108 CB HIS A 67 -3.820 -0.067 -7.310 1.00 0.00 C ATOM 1109 CG HIS A 67 -3.456 0.400 -8.695 1.00 0.00 C ATOM 1110 ND1 HIS A 67 -3.932 1.597 -9.211 1.00 0.00 N ATOM 1111 CD2 HIS A 67 -2.682 -0.154 -9.688 1.00 0.00 C ATOM 1112 CE1 HIS A 67 -3.447 1.723 -10.459 1.00 0.00 C ATOM 1113 NE2 HIS A 67 -2.680 0.684 -10.800 1.00 0.00 N ATOM 0 H HIS A 67 -5.772 -1.678 -7.915 1.00 0.00 H new ATOM 0 HA HIS A 67 -2.831 -1.952 -7.627 1.00 0.00 H new ATOM 0 HB2 HIS A 67 -4.813 0.295 -7.046 1.00 0.00 H new ATOM 0 HB3 HIS A 67 -3.124 0.351 -6.583 1.00 0.00 H new ATOM 0 HD1 HIS A 67 -4.540 2.261 -8.731 1.00 0.00 H new ATOM 0 HD2 HIS A 67 -2.156 -1.095 -9.616 1.00 0.00 H new ATOM 0 HE1 HIS A 67 -3.653 2.562 -11.107 1.00 0.00 H new ATOM 1121 N ALA A 68 -2.795 -2.172 -5.100 1.00 0.00 N ATOM 1122 CA ALA A 68 -2.784 -2.640 -3.713 1.00 0.00 C ATOM 1123 C ALA A 68 -4.074 -2.260 -2.976 1.00 0.00 C ATOM 1124 O ALA A 68 -4.580 -3.028 -2.154 1.00 0.00 O ATOM 1125 CB ALA A 68 -1.571 -2.058 -2.989 1.00 0.00 C ATOM 0 H ALA A 68 -1.876 -1.930 -5.470 1.00 0.00 H new ATOM 0 HA ALA A 68 -2.721 -3.728 -3.721 1.00 0.00 H new ATOM 0 HB1 ALA A 68 -1.562 -2.406 -1.956 1.00 0.00 H new ATOM 0 HB2 ALA A 68 -0.658 -2.383 -3.489 1.00 0.00 H new ATOM 0 HB3 ALA A 68 -1.626 -0.969 -3.005 1.00 0.00 H new ATOM 1131 N GLU A 69 -4.607 -1.081 -3.273 1.00 0.00 N ATOM 1132 CA GLU A 69 -5.841 -0.631 -2.628 1.00 0.00 C ATOM 1133 C GLU A 69 -6.970 -1.634 -2.892 1.00 0.00 C ATOM 1134 O GLU A 69 -7.514 -2.234 -1.959 1.00 0.00 O ATOM 1135 CB GLU A 69 -6.241 0.772 -3.137 1.00 0.00 C ATOM 1136 CG GLU A 69 -5.356 1.157 -4.318 1.00 0.00 C ATOM 1137 CD GLU A 69 -3.958 1.524 -3.831 1.00 0.00 C ATOM 1138 OE1 GLU A 69 -3.850 2.452 -3.047 1.00 0.00 O ATOM 1139 OE2 GLU A 69 -3.016 0.870 -4.248 1.00 0.00 O ATOM 0 H GLU A 69 -4.213 -0.425 -3.947 1.00 0.00 H new ATOM 0 HA GLU A 69 -5.668 -0.570 -1.554 1.00 0.00 H new ATOM 0 HB2 GLU A 69 -7.289 0.776 -3.438 1.00 0.00 H new ATOM 0 HB3 GLU A 69 -6.136 1.504 -2.337 1.00 0.00 H new ATOM 0 HG2 GLU A 69 -5.297 0.328 -5.023 1.00 0.00 H new ATOM 0 HG3 GLU A 69 -5.796 1.999 -4.852 1.00 0.00 H new ATOM 1146 N LEU A 70 -7.315 -1.814 -4.165 1.00 0.00 N ATOM 1147 CA LEU A 70 -8.376 -2.745 -4.533 1.00 0.00 C ATOM 1148 C LEU A 70 -7.977 -4.172 -4.171 1.00 0.00 C ATOM 1149 O LEU A 70 -8.827 -5.049 -4.019 1.00 0.00 O ATOM 1150 CB LEU A 70 -8.679 -2.674 -6.032 1.00 0.00 C ATOM 1151 CG LEU A 70 -8.798 -1.208 -6.484 1.00 0.00 C ATOM 1152 CD1 LEU A 70 -9.565 -0.379 -5.430 1.00 0.00 C ATOM 1153 CD2 LEU A 70 -7.397 -0.609 -6.716 1.00 0.00 C ATOM 0 H LEU A 70 -6.879 -1.332 -4.951 1.00 0.00 H new ATOM 0 HA LEU A 70 -9.271 -2.461 -3.979 1.00 0.00 H new ATOM 0 HB2 LEU A 70 -7.889 -3.172 -6.594 1.00 0.00 H new ATOM 0 HB3 LEU A 70 -9.606 -3.205 -6.248 1.00 0.00 H new ATOM 0 HG LEU A 70 -9.354 -1.177 -7.421 1.00 0.00 H new ATOM 0 HD11 LEU A 70 -9.640 0.655 -5.765 1.00 0.00 H new ATOM 0 HD12 LEU A 70 -10.565 -0.792 -5.300 1.00 0.00 H new ATOM 0 HD13 LEU A 70 -9.031 -0.415 -4.480 1.00 0.00 H new ATOM 0 HD21 LEU A 70 -7.493 0.429 -7.036 1.00 0.00 H new ATOM 0 HD22 LEU A 70 -6.825 -0.652 -5.789 1.00 0.00 H new ATOM 0 HD23 LEU A 70 -6.880 -1.180 -7.488 1.00 0.00 H new ATOM 1165 N CYS A 71 -6.671 -4.395 -4.051 1.00 0.00 N ATOM 1166 CA CYS A 71 -6.152 -5.725 -3.723 1.00 0.00 C ATOM 1167 C CYS A 71 -6.731 -6.253 -2.405 1.00 0.00 C ATOM 1168 O CYS A 71 -7.439 -7.269 -2.391 1.00 0.00 O ATOM 1169 CB CYS A 71 -4.622 -5.698 -3.649 1.00 0.00 C ATOM 1170 SG CYS A 71 -4.000 -7.394 -3.583 1.00 0.00 S ATOM 0 H CYS A 71 -5.955 -3.679 -4.174 1.00 0.00 H new ATOM 0 HA CYS A 71 -6.463 -6.402 -4.519 1.00 0.00 H new ATOM 0 HB2 CYS A 71 -4.213 -5.182 -4.517 1.00 0.00 H new ATOM 0 HB3 CYS A 71 -4.298 -5.145 -2.767 1.00 0.00 H new ATOM 0 HG CYS A 71 -2.702 -7.378 -3.522 1.00 0.00 H new ATOM 1176 N PHE A 72 -6.459 -5.581 -1.289 1.00 0.00 N ATOM 1177 CA PHE A 72 -7.014 -6.069 -0.033 1.00 0.00 C ATOM 1178 C PHE A 72 -8.521 -5.955 -0.104 1.00 0.00 C ATOM 1179 O PHE A 72 -9.247 -6.847 0.318 1.00 0.00 O ATOM 1180 CB PHE A 72 -6.460 -5.324 1.183 1.00 0.00 C ATOM 1181 CG PHE A 72 -6.525 -3.832 0.995 1.00 0.00 C ATOM 1182 CD1 PHE A 72 -7.752 -3.160 1.060 1.00 0.00 C ATOM 1183 CD2 PHE A 72 -5.343 -3.108 0.791 1.00 0.00 C ATOM 1184 CE1 PHE A 72 -7.790 -1.779 0.923 1.00 0.00 C ATOM 1185 CE2 PHE A 72 -5.391 -1.728 0.651 1.00 0.00 C ATOM 1186 CZ PHE A 72 -6.611 -1.065 0.719 1.00 0.00 C ATOM 0 H PHE A 72 -5.887 -4.739 -1.227 1.00 0.00 H new ATOM 0 HA PHE A 72 -6.720 -7.110 0.099 1.00 0.00 H new ATOM 0 HB2 PHE A 72 -7.026 -5.604 2.071 1.00 0.00 H new ATOM 0 HB3 PHE A 72 -5.427 -5.625 1.355 1.00 0.00 H new ATOM 0 HD1 PHE A 72 -8.666 -3.714 1.216 1.00 0.00 H new ATOM 0 HD2 PHE A 72 -4.395 -3.623 0.743 1.00 0.00 H new ATOM 0 HE1 PHE A 72 -8.734 -1.258 0.975 1.00 0.00 H new ATOM 0 HE2 PHE A 72 -4.481 -1.169 0.489 1.00 0.00 H new ATOM 0 HZ PHE A 72 -6.645 0.009 0.613 1.00 0.00 H new ATOM 1196 N LEU A 73 -8.989 -4.876 -0.698 1.00 0.00 N ATOM 1197 CA LEU A 73 -10.412 -4.686 -0.881 1.00 0.00 C ATOM 1198 C LEU A 73 -11.034 -6.023 -1.288 1.00 0.00 C ATOM 1199 O LEU A 73 -12.221 -6.273 -1.076 1.00 0.00 O ATOM 1200 CB LEU A 73 -10.580 -3.648 -1.981 1.00 0.00 C ATOM 1201 CG LEU A 73 -11.808 -2.767 -1.737 1.00 0.00 C ATOM 1202 CD1 LEU A 73 -11.624 -1.951 -0.451 1.00 0.00 C ATOM 1203 CD2 LEU A 73 -11.965 -1.809 -2.922 1.00 0.00 C ATOM 0 H LEU A 73 -8.407 -4.121 -1.061 1.00 0.00 H new ATOM 0 HA LEU A 73 -10.904 -4.345 0.030 1.00 0.00 H new ATOM 0 HB2 LEU A 73 -9.688 -3.024 -2.034 1.00 0.00 H new ATOM 0 HB3 LEU A 73 -10.676 -4.149 -2.944 1.00 0.00 H new ATOM 0 HG LEU A 73 -12.693 -3.395 -1.635 1.00 0.00 H new ATOM 0 HD11 LEU A 73 -12.503 -1.328 -0.287 1.00 0.00 H new ATOM 0 HD12 LEU A 73 -11.496 -2.628 0.394 1.00 0.00 H new ATOM 0 HD13 LEU A 73 -10.742 -1.317 -0.545 1.00 0.00 H new ATOM 0 HD21 LEU A 73 -12.836 -1.174 -2.763 1.00 0.00 H new ATOM 0 HD22 LEU A 73 -11.074 -1.187 -3.008 1.00 0.00 H new ATOM 0 HD23 LEU A 73 -12.097 -2.383 -3.839 1.00 0.00 H new ATOM 1215 N ASP A 74 -10.191 -6.874 -1.877 1.00 0.00 N ATOM 1216 CA ASP A 74 -10.605 -8.203 -2.327 1.00 0.00 C ATOM 1217 C ASP A 74 -10.303 -9.278 -1.282 1.00 0.00 C ATOM 1218 O ASP A 74 -10.953 -10.321 -1.272 1.00 0.00 O ATOM 1219 CB ASP A 74 -9.892 -8.547 -3.637 1.00 0.00 C ATOM 1220 CG ASP A 74 -10.580 -9.725 -4.319 1.00 0.00 C ATOM 1221 OD1 ASP A 74 -11.796 -9.791 -4.261 1.00 0.00 O ATOM 1222 OD2 ASP A 74 -9.879 -10.545 -4.890 1.00 0.00 O ATOM 0 H ASP A 74 -9.209 -6.663 -2.054 1.00 0.00 H new ATOM 0 HA ASP A 74 -11.684 -8.181 -2.481 1.00 0.00 H new ATOM 0 HB2 ASP A 74 -9.896 -7.681 -4.299 1.00 0.00 H new ATOM 0 HB3 ASP A 74 -8.849 -8.792 -3.438 1.00 0.00 H new ATOM 1227 N VAL A 75 -9.319 -9.056 -0.408 1.00 0.00 N ATOM 1228 CA VAL A 75 -9.007 -10.069 0.590 1.00 0.00 C ATOM 1229 C VAL A 75 -10.068 -10.128 1.701 1.00 0.00 C ATOM 1230 O VAL A 75 -10.515 -11.193 2.089 1.00 0.00 O ATOM 1231 CB VAL A 75 -7.635 -9.844 1.223 1.00 0.00 C ATOM 1232 CG1 VAL A 75 -7.699 -8.757 2.296 1.00 0.00 C ATOM 1233 CG2 VAL A 75 -7.224 -11.153 1.866 1.00 0.00 C ATOM 0 H VAL A 75 -8.745 -8.214 -0.372 1.00 0.00 H new ATOM 0 HA VAL A 75 -9.000 -11.020 0.057 1.00 0.00 H new ATOM 0 HB VAL A 75 -6.922 -9.524 0.464 1.00 0.00 H new ATOM 0 HG11 VAL A 75 -6.709 -8.616 2.731 1.00 0.00 H new ATOM 0 HG12 VAL A 75 -8.034 -7.822 1.847 1.00 0.00 H new ATOM 0 HG13 VAL A 75 -8.399 -9.057 3.076 1.00 0.00 H new ATOM 0 HG21 VAL A 75 -6.246 -11.038 2.332 1.00 0.00 H new ATOM 0 HG22 VAL A 75 -7.956 -11.432 2.623 1.00 0.00 H new ATOM 0 HG23 VAL A 75 -7.174 -11.932 1.105 1.00 0.00 H new ATOM 1243 N ILE A 76 -10.445 -8.979 2.230 1.00 0.00 N ATOM 1244 CA ILE A 76 -11.437 -8.938 3.317 1.00 0.00 C ATOM 1245 C ILE A 76 -12.537 -10.003 3.125 1.00 0.00 C ATOM 1246 O ILE A 76 -12.783 -10.792 4.037 1.00 0.00 O ATOM 1247 CB ILE A 76 -12.073 -7.535 3.442 1.00 0.00 C ATOM 1248 CG1 ILE A 76 -11.168 -6.482 2.802 1.00 0.00 C ATOM 1249 CG2 ILE A 76 -12.285 -7.176 4.909 1.00 0.00 C ATOM 1250 CD1 ILE A 76 -9.847 -6.386 3.572 1.00 0.00 C ATOM 0 H ILE A 76 -10.092 -8.068 1.938 1.00 0.00 H new ATOM 0 HA ILE A 76 -10.904 -9.162 4.241 1.00 0.00 H new ATOM 0 HB ILE A 76 -13.034 -7.553 2.928 1.00 0.00 H new ATOM 0 HG12 ILE A 76 -10.973 -6.742 1.762 1.00 0.00 H new ATOM 0 HG13 ILE A 76 -11.668 -5.514 2.800 1.00 0.00 H new ATOM 0 HG21 ILE A 76 -12.734 -6.185 4.980 1.00 0.00 H new ATOM 0 HG22 ILE A 76 -12.948 -7.908 5.371 1.00 0.00 H new ATOM 0 HG23 ILE A 76 -11.326 -7.178 5.426 1.00 0.00 H new ATOM 0 HD11 ILE A 76 -9.209 -5.633 3.108 1.00 0.00 H new ATOM 0 HD12 ILE A 76 -10.048 -6.104 4.606 1.00 0.00 H new ATOM 0 HD13 ILE A 76 -9.342 -7.352 3.551 1.00 0.00 H new ATOM 1262 N PRO A 77 -13.196 -10.067 1.981 1.00 0.00 N ATOM 1263 CA PRO A 77 -14.261 -11.090 1.736 1.00 0.00 C ATOM 1264 C PRO A 77 -13.664 -12.490 1.683 1.00 0.00 C ATOM 1265 O PRO A 77 -14.366 -13.495 1.785 1.00 0.00 O ATOM 1266 CB PRO A 77 -14.849 -10.682 0.377 1.00 0.00 C ATOM 1267 CG PRO A 77 -13.786 -9.903 -0.299 1.00 0.00 C ATOM 1268 CD PRO A 77 -13.014 -9.198 0.806 1.00 0.00 C ATOM 0 HA PRO A 77 -15.013 -11.121 2.525 1.00 0.00 H new ATOM 0 HB2 PRO A 77 -15.126 -11.558 -0.209 1.00 0.00 H new ATOM 0 HB3 PRO A 77 -15.752 -10.085 0.504 1.00 0.00 H new ATOM 0 HG2 PRO A 77 -13.132 -10.556 -0.877 1.00 0.00 H new ATOM 0 HG3 PRO A 77 -14.214 -9.183 -0.996 1.00 0.00 H new ATOM 0 HD2 PRO A 77 -11.960 -9.090 0.550 1.00 0.00 H new ATOM 0 HD3 PRO A 77 -13.403 -8.196 0.987 1.00 0.00 H new ATOM 1276 N PHE A 78 -12.351 -12.526 1.521 1.00 0.00 N ATOM 1277 CA PHE A 78 -11.610 -13.786 1.449 1.00 0.00 C ATOM 1278 C PHE A 78 -11.716 -14.571 2.752 1.00 0.00 C ATOM 1279 O PHE A 78 -11.875 -15.790 2.728 1.00 0.00 O ATOM 1280 CB PHE A 78 -10.145 -13.488 1.143 1.00 0.00 C ATOM 1281 CG PHE A 78 -9.460 -14.687 0.567 1.00 0.00 C ATOM 1282 CD1 PHE A 78 -9.773 -15.108 -0.723 1.00 0.00 C ATOM 1283 CD2 PHE A 78 -8.509 -15.371 1.326 1.00 0.00 C ATOM 1284 CE1 PHE A 78 -9.134 -16.231 -1.264 1.00 0.00 C ATOM 1285 CE2 PHE A 78 -7.866 -16.493 0.789 1.00 0.00 C ATOM 1286 CZ PHE A 78 -8.181 -16.925 -0.506 1.00 0.00 C ATOM 0 H PHE A 78 -11.768 -11.693 1.436 1.00 0.00 H new ATOM 0 HA PHE A 78 -12.043 -14.396 0.656 1.00 0.00 H new ATOM 0 HB2 PHE A 78 -10.079 -12.656 0.442 1.00 0.00 H new ATOM 0 HB3 PHE A 78 -9.636 -13.178 2.055 1.00 0.00 H new ATOM 0 HD1 PHE A 78 -10.507 -14.570 -1.305 1.00 0.00 H new ATOM 0 HD2 PHE A 78 -8.270 -15.036 2.324 1.00 0.00 H new ATOM 0 HE1 PHE A 78 -9.375 -16.562 -2.263 1.00 0.00 H new ATOM 0 HE2 PHE A 78 -7.128 -17.024 1.372 1.00 0.00 H new ATOM 0 HZ PHE A 78 -7.689 -17.793 -0.920 1.00 0.00 H new ATOM 1296 N TRP A 79 -11.632 -13.881 3.892 1.00 0.00 N ATOM 1297 CA TRP A 79 -11.731 -14.573 5.173 1.00 0.00 C ATOM 1298 C TRP A 79 -13.194 -14.906 5.481 1.00 0.00 C ATOM 1299 O TRP A 79 -13.490 -15.861 6.198 1.00 0.00 O ATOM 1300 CB TRP A 79 -11.176 -13.710 6.310 1.00 0.00 C ATOM 1301 CG TRP A 79 -10.096 -12.784 5.842 1.00 0.00 C ATOM 1302 CD1 TRP A 79 -9.024 -13.110 5.085 1.00 0.00 C ATOM 1303 CD2 TRP A 79 -9.974 -11.372 6.136 1.00 0.00 C ATOM 1304 NE1 TRP A 79 -8.249 -11.969 4.900 1.00 0.00 N ATOM 1305 CE2 TRP A 79 -8.802 -10.868 5.535 1.00 0.00 C ATOM 1306 CE3 TRP A 79 -10.775 -10.493 6.867 1.00 0.00 C ATOM 1307 CZ2 TRP A 79 -8.441 -9.518 5.667 1.00 0.00 C ATOM 1308 CZ3 TRP A 79 -10.426 -9.147 7.002 1.00 0.00 C ATOM 1309 CH2 TRP A 79 -9.262 -8.660 6.406 1.00 0.00 C ATOM 0 H TRP A 79 -11.499 -12.872 3.953 1.00 0.00 H new ATOM 0 HA TRP A 79 -11.145 -15.489 5.100 1.00 0.00 H new ATOM 0 HB2 TRP A 79 -11.986 -13.128 6.751 1.00 0.00 H new ATOM 0 HB3 TRP A 79 -10.783 -14.356 7.096 1.00 0.00 H new ATOM 0 HD1 TRP A 79 -8.806 -14.091 4.690 1.00 0.00 H new ATOM 0 HE1 TRP A 79 -7.382 -11.946 4.364 1.00 0.00 H new ATOM 0 HE3 TRP A 79 -11.677 -10.859 7.335 1.00 0.00 H new ATOM 0 HZ2 TRP A 79 -7.539 -9.146 5.203 1.00 0.00 H new ATOM 0 HZ3 TRP A 79 -11.059 -8.481 7.570 1.00 0.00 H new ATOM 0 HH2 TRP A 79 -8.995 -7.619 6.515 1.00 0.00 H new ATOM 1320 N LYS A 80 -14.099 -14.112 4.915 1.00 0.00 N ATOM 1321 CA LYS A 80 -15.527 -14.307 5.100 1.00 0.00 C ATOM 1322 C LYS A 80 -15.914 -14.383 6.584 1.00 0.00 C ATOM 1323 O LYS A 80 -16.384 -15.418 7.056 1.00 0.00 O ATOM 1324 CB LYS A 80 -15.995 -15.581 4.388 1.00 0.00 C ATOM 1325 CG LYS A 80 -15.177 -15.862 3.111 1.00 0.00 C ATOM 1326 CD LYS A 80 -15.185 -17.366 2.826 1.00 0.00 C ATOM 1327 CE LYS A 80 -14.068 -18.044 3.626 1.00 0.00 C ATOM 1328 NZ LYS A 80 -14.000 -19.487 3.265 1.00 0.00 N ATOM 0 H LYS A 80 -13.861 -13.320 4.318 1.00 0.00 H new ATOM 0 HA LYS A 80 -16.022 -13.439 4.664 1.00 0.00 H new ATOM 0 HB2 LYS A 80 -15.909 -16.429 5.068 1.00 0.00 H new ATOM 0 HB3 LYS A 80 -17.050 -15.485 4.129 1.00 0.00 H new ATOM 0 HG2 LYS A 80 -15.601 -15.318 2.267 1.00 0.00 H new ATOM 0 HG3 LYS A 80 -14.153 -15.509 3.236 1.00 0.00 H new ATOM 0 HD2 LYS A 80 -16.151 -17.793 3.096 1.00 0.00 H new ATOM 0 HD3 LYS A 80 -15.044 -17.546 1.760 1.00 0.00 H new ATOM 0 HE2 LYS A 80 -13.113 -17.561 3.418 1.00 0.00 H new ATOM 0 HE3 LYS A 80 -14.254 -17.934 4.694 1.00 0.00 H new ATOM 0 HZ1 LYS A 80 -13.241 -19.946 3.809 1.00 0.00 H new ATOM 0 HZ2 LYS A 80 -14.908 -19.943 3.485 1.00 0.00 H new ATOM 0 HZ3 LYS A 80 -13.803 -19.582 2.248 1.00 0.00 H new ATOM 1342 N LEU A 81 -15.740 -13.278 7.314 1.00 0.00 N ATOM 1343 CA LEU A 81 -16.101 -13.249 8.728 1.00 0.00 C ATOM 1344 C LEU A 81 -17.589 -13.032 8.912 1.00 0.00 C ATOM 1345 O LEU A 81 -18.420 -13.441 8.101 1.00 0.00 O ATOM 1346 CB LEU A 81 -15.401 -12.103 9.448 1.00 0.00 C ATOM 1347 CG LEU A 81 -14.048 -11.851 8.814 1.00 0.00 C ATOM 1348 CD1 LEU A 81 -14.201 -10.996 7.540 1.00 0.00 C ATOM 1349 CD2 LEU A 81 -13.200 -11.135 9.851 1.00 0.00 C ATOM 0 H LEU A 81 -15.357 -12.404 6.953 1.00 0.00 H new ATOM 0 HA LEU A 81 -15.798 -14.212 9.140 1.00 0.00 H new ATOM 0 HB2 LEU A 81 -16.011 -11.201 9.396 1.00 0.00 H new ATOM 0 HB3 LEU A 81 -15.279 -12.345 10.504 1.00 0.00 H new ATOM 0 HG LEU A 81 -13.576 -12.787 8.515 1.00 0.00 H new ATOM 0 HD11 LEU A 81 -13.220 -10.824 7.097 1.00 0.00 H new ATOM 0 HD12 LEU A 81 -14.836 -11.519 6.825 1.00 0.00 H new ATOM 0 HD13 LEU A 81 -14.656 -10.039 7.796 1.00 0.00 H new ATOM 0 HD21 LEU A 81 -12.212 -10.932 9.436 1.00 0.00 H new ATOM 0 HD22 LEU A 81 -13.678 -10.195 10.126 1.00 0.00 H new ATOM 0 HD23 LEU A 81 -13.100 -11.763 10.736 1.00 0.00 H new ATOM 1361 N ASP A 82 -17.878 -12.314 9.982 1.00 0.00 N ATOM 1362 CA ASP A 82 -19.222 -11.924 10.325 1.00 0.00 C ATOM 1363 C ASP A 82 -19.315 -10.413 10.191 1.00 0.00 C ATOM 1364 O ASP A 82 -18.432 -9.774 9.617 1.00 0.00 O ATOM 1365 CB ASP A 82 -19.549 -12.331 11.763 1.00 0.00 C ATOM 1366 CG ASP A 82 -20.017 -13.781 11.805 1.00 0.00 C ATOM 1367 OD1 ASP A 82 -20.078 -14.395 10.753 1.00 0.00 O ATOM 1368 OD2 ASP A 82 -20.305 -14.258 12.890 1.00 0.00 O ATOM 0 H ASP A 82 -17.173 -11.984 10.641 1.00 0.00 H new ATOM 0 HA ASP A 82 -19.932 -12.418 9.662 1.00 0.00 H new ATOM 0 HB2 ASP A 82 -18.668 -12.207 12.393 1.00 0.00 H new ATOM 0 HB3 ASP A 82 -20.324 -11.679 12.166 1.00 0.00 H new ATOM 1373 N LEU A 83 -20.371 -9.852 10.727 1.00 0.00 N ATOM 1374 CA LEU A 83 -20.574 -8.415 10.674 1.00 0.00 C ATOM 1375 C LEU A 83 -19.995 -7.744 11.921 1.00 0.00 C ATOM 1376 O LEU A 83 -19.219 -6.792 11.826 1.00 0.00 O ATOM 1377 CB LEU A 83 -22.074 -8.132 10.576 1.00 0.00 C ATOM 1378 CG LEU A 83 -22.331 -6.810 9.856 1.00 0.00 C ATOM 1379 CD1 LEU A 83 -21.519 -5.704 10.519 1.00 0.00 C ATOM 1380 CD2 LEU A 83 -21.932 -6.932 8.381 1.00 0.00 C ATOM 0 H LEU A 83 -21.109 -10.366 11.208 1.00 0.00 H new ATOM 0 HA LEU A 83 -20.062 -8.010 9.801 1.00 0.00 H new ATOM 0 HB2 LEU A 83 -22.568 -8.944 10.042 1.00 0.00 H new ATOM 0 HB3 LEU A 83 -22.508 -8.097 11.575 1.00 0.00 H new ATOM 0 HG LEU A 83 -23.392 -6.568 9.917 1.00 0.00 H new ATOM 0 HD11 LEU A 83 -21.702 -4.760 10.005 1.00 0.00 H new ATOM 0 HD12 LEU A 83 -21.815 -5.612 11.564 1.00 0.00 H new ATOM 0 HD13 LEU A 83 -20.458 -5.948 10.463 1.00 0.00 H new ATOM 0 HD21 LEU A 83 -22.118 -5.985 7.874 1.00 0.00 H new ATOM 0 HD22 LEU A 83 -20.873 -7.179 8.310 1.00 0.00 H new ATOM 0 HD23 LEU A 83 -22.521 -7.718 7.909 1.00 0.00 H new ATOM 1392 N ASP A 84 -20.386 -8.247 13.086 1.00 0.00 N ATOM 1393 CA ASP A 84 -19.919 -7.698 14.358 1.00 0.00 C ATOM 1394 C ASP A 84 -18.397 -7.578 14.381 1.00 0.00 C ATOM 1395 O ASP A 84 -17.828 -6.938 15.266 1.00 0.00 O ATOM 1396 CB ASP A 84 -20.381 -8.595 15.509 1.00 0.00 C ATOM 1397 CG ASP A 84 -19.834 -8.076 16.835 1.00 0.00 C ATOM 1398 OD1 ASP A 84 -18.632 -8.151 17.029 1.00 0.00 O ATOM 1399 OD2 ASP A 84 -20.627 -7.615 17.638 1.00 0.00 O ATOM 0 H ASP A 84 -21.026 -9.036 13.178 1.00 0.00 H new ATOM 0 HA ASP A 84 -20.343 -6.701 14.474 1.00 0.00 H new ATOM 0 HB2 ASP A 84 -21.470 -8.623 15.543 1.00 0.00 H new ATOM 0 HB3 ASP A 84 -20.041 -9.617 15.342 1.00 0.00 H new ATOM 1404 N GLN A 85 -17.745 -8.194 13.407 1.00 0.00 N ATOM 1405 CA GLN A 85 -16.292 -8.149 13.333 1.00 0.00 C ATOM 1406 C GLN A 85 -15.849 -6.929 12.520 1.00 0.00 C ATOM 1407 O GLN A 85 -16.673 -6.270 11.887 1.00 0.00 O ATOM 1408 CB GLN A 85 -15.741 -9.418 12.660 1.00 0.00 C ATOM 1409 CG GLN A 85 -16.533 -10.660 13.091 1.00 0.00 C ATOM 1410 CD GLN A 85 -16.033 -11.162 14.441 1.00 0.00 C ATOM 1411 OE1 GLN A 85 -16.194 -10.483 15.455 1.00 0.00 O ATOM 1412 NE2 GLN A 85 -15.435 -12.321 14.516 1.00 0.00 N ATOM 0 H GLN A 85 -18.194 -8.727 12.662 1.00 0.00 H new ATOM 0 HA GLN A 85 -15.903 -8.083 14.349 1.00 0.00 H new ATOM 0 HB2 GLN A 85 -15.790 -9.309 11.577 1.00 0.00 H new ATOM 0 HB3 GLN A 85 -14.690 -9.544 12.920 1.00 0.00 H new ATOM 0 HG2 GLN A 85 -17.594 -10.419 13.155 1.00 0.00 H new ATOM 0 HG3 GLN A 85 -16.429 -11.445 12.342 1.00 0.00 H new ATOM 0 HE21 GLN A 85 -15.303 -12.882 13.674 1.00 0.00 H new ATOM 0 HE22 GLN A 85 -15.100 -12.665 15.416 1.00 0.00 H new ATOM 1421 N ASP A 86 -14.548 -6.632 12.541 1.00 0.00 N ATOM 1422 CA ASP A 86 -14.026 -5.485 11.796 1.00 0.00 C ATOM 1423 C ASP A 86 -12.664 -5.818 11.175 1.00 0.00 C ATOM 1424 O ASP A 86 -12.125 -6.900 11.398 1.00 0.00 O ATOM 1425 CB ASP A 86 -13.902 -4.275 12.733 1.00 0.00 C ATOM 1426 CG ASP A 86 -15.175 -3.434 12.682 1.00 0.00 C ATOM 1427 OD1 ASP A 86 -16.203 -3.972 12.305 1.00 0.00 O ATOM 1428 OD2 ASP A 86 -15.102 -2.264 13.023 1.00 0.00 O ATOM 0 H ASP A 86 -13.846 -7.161 13.058 1.00 0.00 H new ATOM 0 HA ASP A 86 -14.718 -5.245 10.989 1.00 0.00 H new ATOM 0 HB2 ASP A 86 -13.722 -4.613 13.753 1.00 0.00 H new ATOM 0 HB3 ASP A 86 -13.045 -3.668 12.443 1.00 0.00 H new ATOM 1433 N TYR A 87 -12.118 -4.888 10.386 1.00 0.00 N ATOM 1434 CA TYR A 87 -10.824 -5.111 9.728 1.00 0.00 C ATOM 1435 C TYR A 87 -9.876 -3.928 9.914 1.00 0.00 C ATOM 1436 O TYR A 87 -10.295 -2.770 9.945 1.00 0.00 O ATOM 1437 CB TYR A 87 -11.036 -5.335 8.225 1.00 0.00 C ATOM 1438 CG TYR A 87 -12.439 -5.815 7.978 1.00 0.00 C ATOM 1439 CD1 TYR A 87 -12.897 -6.983 8.590 1.00 0.00 C ATOM 1440 CD2 TYR A 87 -13.278 -5.089 7.132 1.00 0.00 C ATOM 1441 CE1 TYR A 87 -14.201 -7.426 8.355 1.00 0.00 C ATOM 1442 CE2 TYR A 87 -14.581 -5.530 6.894 1.00 0.00 C ATOM 1443 CZ TYR A 87 -15.046 -6.700 7.504 1.00 0.00 C ATOM 1444 OH TYR A 87 -16.332 -7.138 7.271 1.00 0.00 O ATOM 0 H TYR A 87 -12.545 -3.983 10.188 1.00 0.00 H new ATOM 0 HA TYR A 87 -10.375 -5.990 10.190 1.00 0.00 H new ATOM 0 HB2 TYR A 87 -10.857 -4.408 7.680 1.00 0.00 H new ATOM 0 HB3 TYR A 87 -10.320 -6.067 7.852 1.00 0.00 H new ATOM 0 HD1 TYR A 87 -12.245 -7.543 9.244 1.00 0.00 H new ATOM 0 HD2 TYR A 87 -12.919 -4.186 6.661 1.00 0.00 H new ATOM 0 HE1 TYR A 87 -14.558 -8.328 8.829 1.00 0.00 H new ATOM 0 HE2 TYR A 87 -15.230 -4.968 6.239 1.00 0.00 H new ATOM 0 HH TYR A 87 -16.661 -7.621 8.058 1.00 0.00 H new ATOM 1454 N ARG A 88 -8.590 -4.245 9.983 1.00 0.00 N ATOM 1455 CA ARG A 88 -7.545 -3.238 10.102 1.00 0.00 C ATOM 1456 C ARG A 88 -6.524 -3.527 9.008 1.00 0.00 C ATOM 1457 O ARG A 88 -5.593 -4.304 9.205 1.00 0.00 O ATOM 1458 CB ARG A 88 -6.889 -3.307 11.497 1.00 0.00 C ATOM 1459 CG ARG A 88 -6.992 -1.948 12.204 1.00 0.00 C ATOM 1460 CD ARG A 88 -6.502 -2.073 13.653 1.00 0.00 C ATOM 1461 NE ARG A 88 -5.765 -0.873 14.039 1.00 0.00 N ATOM 1462 CZ ARG A 88 -6.371 0.152 14.633 1.00 0.00 C ATOM 1463 NH1 ARG A 88 -7.652 0.105 14.881 1.00 0.00 N ATOM 1464 NH2 ARG A 88 -5.680 1.209 14.972 1.00 0.00 N ATOM 0 H ARG A 88 -8.243 -5.204 9.958 1.00 0.00 H new ATOM 0 HA ARG A 88 -7.954 -2.234 9.989 1.00 0.00 H new ATOM 0 HB2 ARG A 88 -7.377 -4.075 12.098 1.00 0.00 H new ATOM 0 HB3 ARG A 88 -5.842 -3.595 11.400 1.00 0.00 H new ATOM 0 HG2 ARG A 88 -6.396 -1.206 11.672 1.00 0.00 H new ATOM 0 HG3 ARG A 88 -8.024 -1.598 12.189 1.00 0.00 H new ATOM 0 HD2 ARG A 88 -7.351 -2.218 14.321 1.00 0.00 H new ATOM 0 HD3 ARG A 88 -5.863 -2.950 13.755 1.00 0.00 H new ATOM 0 HE ARG A 88 -4.764 -0.819 13.849 1.00 0.00 H new ATOM 0 HH11 ARG A 88 -8.192 -0.720 14.619 1.00 0.00 H new ATOM 0 HH12 ARG A 88 -8.113 0.893 15.337 1.00 0.00 H new ATOM 0 HH21 ARG A 88 -4.679 1.247 14.781 1.00 0.00 H new ATOM 0 HH22 ARG A 88 -6.142 1.996 15.427 1.00 0.00 H new ATOM 1478 N VAL A 89 -6.741 -2.943 7.837 1.00 0.00 N ATOM 1479 CA VAL A 89 -5.864 -3.199 6.701 1.00 0.00 C ATOM 1480 C VAL A 89 -4.701 -2.207 6.628 1.00 0.00 C ATOM 1481 O VAL A 89 -4.807 -1.062 7.069 1.00 0.00 O ATOM 1482 CB VAL A 89 -6.685 -3.164 5.409 1.00 0.00 C ATOM 1483 CG1 VAL A 89 -6.096 -4.134 4.385 1.00 0.00 C ATOM 1484 CG2 VAL A 89 -8.136 -3.568 5.711 1.00 0.00 C ATOM 0 H VAL A 89 -7.507 -2.296 7.649 1.00 0.00 H new ATOM 0 HA VAL A 89 -5.423 -4.187 6.832 1.00 0.00 H new ATOM 0 HB VAL A 89 -6.660 -2.153 5.002 1.00 0.00 H new ATOM 0 HG11 VAL A 89 -6.688 -4.101 3.470 1.00 0.00 H new ATOM 0 HG12 VAL A 89 -5.068 -3.848 4.163 1.00 0.00 H new ATOM 0 HG13 VAL A 89 -6.112 -5.145 4.791 1.00 0.00 H new ATOM 0 HG21 VAL A 89 -8.720 -3.543 4.791 1.00 0.00 H new ATOM 0 HG22 VAL A 89 -8.154 -4.576 6.125 1.00 0.00 H new ATOM 0 HG23 VAL A 89 -8.565 -2.872 6.432 1.00 0.00 H new ATOM 1494 N THR A 90 -3.587 -2.677 6.066 1.00 0.00 N ATOM 1495 CA THR A 90 -2.386 -1.866 5.926 1.00 0.00 C ATOM 1496 C THR A 90 -1.705 -2.180 4.595 1.00 0.00 C ATOM 1497 O THR A 90 -1.540 -3.344 4.232 1.00 0.00 O ATOM 1498 CB THR A 90 -1.431 -2.161 7.100 1.00 0.00 C ATOM 1499 OG1 THR A 90 -1.842 -1.413 8.233 1.00 0.00 O ATOM 1500 CG2 THR A 90 0.013 -1.784 6.739 1.00 0.00 C ATOM 0 H THR A 90 -3.496 -3.624 5.699 1.00 0.00 H new ATOM 0 HA THR A 90 -2.652 -0.809 5.941 1.00 0.00 H new ATOM 0 HB THR A 90 -1.466 -3.228 7.319 1.00 0.00 H new ATOM 0 HG1 THR A 90 -2.744 -1.061 8.083 1.00 0.00 H new ATOM 0 HG21 THR A 90 0.668 -2.001 7.583 1.00 0.00 H new ATOM 0 HG22 THR A 90 0.334 -2.362 5.872 1.00 0.00 H new ATOM 0 HG23 THR A 90 0.064 -0.721 6.505 1.00 0.00 H new ATOM 1508 N CYS A 91 -1.311 -1.139 3.873 1.00 0.00 N ATOM 1509 CA CYS A 91 -0.645 -1.316 2.583 1.00 0.00 C ATOM 1510 C CYS A 91 0.750 -0.695 2.602 1.00 0.00 C ATOM 1511 O CYS A 91 0.956 0.380 3.166 1.00 0.00 O ATOM 1512 CB CYS A 91 -1.476 -0.668 1.474 1.00 0.00 C ATOM 1513 SG CYS A 91 -0.707 -1.003 -0.130 1.00 0.00 S ATOM 0 H CYS A 91 -1.439 -0.167 4.154 1.00 0.00 H new ATOM 0 HA CYS A 91 -0.549 -2.385 2.392 1.00 0.00 H new ATOM 0 HB2 CYS A 91 -2.493 -1.060 1.491 1.00 0.00 H new ATOM 0 HB3 CYS A 91 -1.546 0.407 1.638 1.00 0.00 H new ATOM 0 HG CYS A 91 -1.134 -0.141 -1.004 1.00 0.00 H new ATOM 1519 N PHE A 92 1.707 -1.377 1.972 1.00 0.00 N ATOM 1520 CA PHE A 92 3.082 -0.882 1.910 1.00 0.00 C ATOM 1521 C PHE A 92 3.568 -0.840 0.466 1.00 0.00 C ATOM 1522 O PHE A 92 3.932 -1.869 -0.102 1.00 0.00 O ATOM 1523 CB PHE A 92 4.021 -1.789 2.708 1.00 0.00 C ATOM 1524 CG PHE A 92 3.754 -1.666 4.189 1.00 0.00 C ATOM 1525 CD1 PHE A 92 4.177 -0.533 4.893 1.00 0.00 C ATOM 1526 CD2 PHE A 92 3.105 -2.702 4.864 1.00 0.00 C ATOM 1527 CE1 PHE A 92 3.944 -0.437 6.271 1.00 0.00 C ATOM 1528 CE2 PHE A 92 2.876 -2.608 6.243 1.00 0.00 C ATOM 1529 CZ PHE A 92 3.294 -1.474 6.945 1.00 0.00 C ATOM 0 H PHE A 92 1.557 -2.269 1.500 1.00 0.00 H new ATOM 0 HA PHE A 92 3.090 0.121 2.336 1.00 0.00 H new ATOM 0 HB2 PHE A 92 3.887 -2.824 2.394 1.00 0.00 H new ATOM 0 HB3 PHE A 92 5.057 -1.523 2.497 1.00 0.00 H new ATOM 0 HD1 PHE A 92 4.683 0.267 4.374 1.00 0.00 H new ATOM 0 HD2 PHE A 92 2.779 -3.577 4.322 1.00 0.00 H new ATOM 0 HE1 PHE A 92 4.267 0.440 6.813 1.00 0.00 H new ATOM 0 HE2 PHE A 92 2.377 -3.412 6.764 1.00 0.00 H new ATOM 0 HZ PHE A 92 3.115 -1.399 8.007 1.00 0.00 H new ATOM 1539 N THR A 93 3.586 0.350 -0.123 1.00 0.00 N ATOM 1540 CA THR A 93 4.048 0.492 -1.501 1.00 0.00 C ATOM 1541 C THR A 93 4.785 1.814 -1.678 1.00 0.00 C ATOM 1542 O THR A 93 4.819 2.640 -0.768 1.00 0.00 O ATOM 1543 CB THR A 93 2.866 0.418 -2.473 1.00 0.00 C ATOM 1544 OG1 THR A 93 1.930 -0.542 -2.003 1.00 0.00 O ATOM 1545 CG2 THR A 93 3.364 0.010 -3.866 1.00 0.00 C ATOM 0 H THR A 93 3.291 1.219 0.322 1.00 0.00 H new ATOM 0 HA THR A 93 4.733 -0.327 -1.720 1.00 0.00 H new ATOM 0 HB THR A 93 2.388 1.395 -2.536 1.00 0.00 H new ATOM 0 HG1 THR A 93 1.294 -0.109 -1.396 1.00 0.00 H new ATOM 0 HG21 THR A 93 2.520 -0.041 -4.554 1.00 0.00 H new ATOM 0 HG22 THR A 93 4.081 0.747 -4.226 1.00 0.00 H new ATOM 0 HG23 THR A 93 3.845 -0.966 -3.809 1.00 0.00 H new ATOM 1553 N SER A 94 5.391 1.998 -2.845 1.00 0.00 N ATOM 1554 CA SER A 94 6.141 3.217 -3.119 1.00 0.00 C ATOM 1555 C SER A 94 5.249 4.308 -3.710 1.00 0.00 C ATOM 1556 O SER A 94 5.639 5.475 -3.745 1.00 0.00 O ATOM 1557 CB SER A 94 7.283 2.916 -4.090 1.00 0.00 C ATOM 1558 OG SER A 94 7.962 1.740 -3.667 1.00 0.00 O ATOM 0 H SER A 94 5.378 1.324 -3.611 1.00 0.00 H new ATOM 0 HA SER A 94 6.540 3.580 -2.172 1.00 0.00 H new ATOM 0 HB2 SER A 94 6.892 2.781 -5.099 1.00 0.00 H new ATOM 0 HB3 SER A 94 7.976 3.757 -4.126 1.00 0.00 H new ATOM 0 HG SER A 94 8.694 1.543 -4.288 1.00 0.00 H new ATOM 1564 N TRP A 95 4.054 3.936 -4.179 1.00 0.00 N ATOM 1565 CA TRP A 95 3.141 4.924 -4.766 1.00 0.00 C ATOM 1566 C TRP A 95 1.799 4.959 -4.036 1.00 0.00 C ATOM 1567 O TRP A 95 1.328 3.952 -3.508 1.00 0.00 O ATOM 1568 CB TRP A 95 2.900 4.623 -6.252 1.00 0.00 C ATOM 1569 CG TRP A 95 2.714 3.162 -6.452 1.00 0.00 C ATOM 1570 CD1 TRP A 95 3.696 2.258 -6.352 1.00 0.00 C ATOM 1571 CD2 TRP A 95 1.502 2.421 -6.792 1.00 0.00 C ATOM 1572 NE1 TRP A 95 3.177 0.998 -6.587 1.00 0.00 N ATOM 1573 CE2 TRP A 95 1.830 1.050 -6.867 1.00 0.00 C ATOM 1574 CE3 TRP A 95 0.168 2.793 -7.036 1.00 0.00 C ATOM 1575 CZ2 TRP A 95 0.876 0.085 -7.171 1.00 0.00 C ATOM 1576 CZ3 TRP A 95 -0.797 1.815 -7.344 1.00 0.00 C ATOM 1577 CH2 TRP A 95 -0.440 0.466 -7.410 1.00 0.00 C ATOM 0 H TRP A 95 3.701 2.979 -4.166 1.00 0.00 H new ATOM 0 HA TRP A 95 3.617 5.899 -4.662 1.00 0.00 H new ATOM 0 HB2 TRP A 95 2.019 5.161 -6.602 1.00 0.00 H new ATOM 0 HB3 TRP A 95 3.745 4.975 -6.844 1.00 0.00 H new ATOM 0 HD1 TRP A 95 4.729 2.478 -6.124 1.00 0.00 H new ATOM 0 HE1 TRP A 95 3.724 0.138 -6.557 1.00 0.00 H new ATOM 0 HE3 TRP A 95 -0.118 3.833 -6.987 1.00 0.00 H new ATOM 0 HZ2 TRP A 95 1.156 -0.957 -7.221 1.00 0.00 H new ATOM 0 HZ3 TRP A 95 -1.819 2.109 -7.530 1.00 0.00 H new ATOM 0 HH2 TRP A 95 -1.185 -0.280 -7.646 1.00 0.00 H new ATOM 1588 N SER A 96 1.197 6.141 -4.038 1.00 0.00 N ATOM 1589 CA SER A 96 -0.098 6.368 -3.407 1.00 0.00 C ATOM 1590 C SER A 96 -1.201 5.787 -4.309 1.00 0.00 C ATOM 1591 O SER A 96 -0.886 5.042 -5.232 1.00 0.00 O ATOM 1592 CB SER A 96 -0.257 7.869 -3.160 1.00 0.00 C ATOM 1593 OG SER A 96 -0.983 8.081 -1.957 1.00 0.00 O ATOM 0 H SER A 96 1.593 6.972 -4.478 1.00 0.00 H new ATOM 0 HA SER A 96 -0.174 5.864 -2.443 1.00 0.00 H new ATOM 0 HB2 SER A 96 0.723 8.342 -3.093 1.00 0.00 H new ATOM 0 HB3 SER A 96 -0.779 8.332 -3.998 1.00 0.00 H new ATOM 0 HG SER A 96 -1.383 8.975 -1.970 1.00 0.00 H new ATOM 1599 N PRO A 97 -2.474 6.043 -4.067 1.00 0.00 N ATOM 1600 CA PRO A 97 -3.557 5.444 -4.895 1.00 0.00 C ATOM 1601 C PRO A 97 -3.744 6.214 -6.195 1.00 0.00 C ATOM 1602 O PRO A 97 -2.785 6.784 -6.716 1.00 0.00 O ATOM 1603 CB PRO A 97 -4.775 5.550 -3.990 1.00 0.00 C ATOM 1604 CG PRO A 97 -4.550 6.792 -3.210 1.00 0.00 C ATOM 1605 CD PRO A 97 -3.037 6.932 -3.032 1.00 0.00 C ATOM 0 HA PRO A 97 -3.351 4.420 -5.206 1.00 0.00 H new ATOM 0 HB2 PRO A 97 -5.697 5.606 -4.569 1.00 0.00 H new ATOM 0 HB3 PRO A 97 -4.862 4.681 -3.337 1.00 0.00 H new ATOM 0 HG2 PRO A 97 -4.960 7.656 -3.732 1.00 0.00 H new ATOM 0 HG3 PRO A 97 -5.050 6.737 -2.243 1.00 0.00 H new ATOM 0 HD2 PRO A 97 -2.712 7.963 -3.171 1.00 0.00 H new ATOM 0 HD3 PRO A 97 -2.723 6.631 -2.033 1.00 0.00 H new ATOM 1613 N CYS A 98 -4.962 6.241 -6.730 1.00 0.00 N ATOM 1614 CA CYS A 98 -5.181 6.966 -7.975 1.00 0.00 C ATOM 1615 C CYS A 98 -6.603 7.503 -8.098 1.00 0.00 C ATOM 1616 O CYS A 98 -7.547 6.971 -7.522 1.00 0.00 O ATOM 1617 CB CYS A 98 -4.879 6.066 -9.170 1.00 0.00 C ATOM 1618 SG CYS A 98 -3.426 5.049 -8.810 1.00 0.00 S ATOM 0 H CYS A 98 -5.786 5.786 -6.337 1.00 0.00 H new ATOM 0 HA CYS A 98 -4.503 7.819 -7.964 1.00 0.00 H new ATOM 0 HB2 CYS A 98 -5.737 5.429 -9.385 1.00 0.00 H new ATOM 0 HB3 CYS A 98 -4.701 6.672 -10.059 1.00 0.00 H new ATOM 0 HG CYS A 98 -2.561 5.750 -8.140 1.00 0.00 H new ATOM 1623 N PHE A 99 -6.720 8.569 -8.876 1.00 0.00 N ATOM 1624 CA PHE A 99 -7.994 9.235 -9.128 1.00 0.00 C ATOM 1625 C PHE A 99 -9.184 8.289 -9.042 1.00 0.00 C ATOM 1626 O PHE A 99 -10.073 8.467 -8.216 1.00 0.00 O ATOM 1627 CB PHE A 99 -7.963 9.847 -10.525 1.00 0.00 C ATOM 1628 CG PHE A 99 -7.548 8.794 -11.525 1.00 0.00 C ATOM 1629 CD1 PHE A 99 -6.203 8.420 -11.630 1.00 0.00 C ATOM 1630 CD2 PHE A 99 -8.508 8.190 -12.346 1.00 0.00 C ATOM 1631 CE1 PHE A 99 -5.818 7.442 -12.555 1.00 0.00 C ATOM 1632 CE2 PHE A 99 -8.123 7.212 -13.271 1.00 0.00 C ATOM 1633 CZ PHE A 99 -6.777 6.838 -13.375 1.00 0.00 C ATOM 0 H PHE A 99 -5.929 9.001 -9.354 1.00 0.00 H new ATOM 0 HA PHE A 99 -8.119 9.995 -8.357 1.00 0.00 H new ATOM 0 HB2 PHE A 99 -8.946 10.242 -10.783 1.00 0.00 H new ATOM 0 HB3 PHE A 99 -7.266 10.684 -10.552 1.00 0.00 H new ATOM 0 HD1 PHE A 99 -5.462 8.886 -10.997 1.00 0.00 H new ATOM 0 HD2 PHE A 99 -9.546 8.479 -12.266 1.00 0.00 H new ATOM 0 HE1 PHE A 99 -4.780 7.154 -12.635 1.00 0.00 H new ATOM 0 HE2 PHE A 99 -8.864 6.746 -13.904 1.00 0.00 H new ATOM 0 HZ PHE A 99 -6.480 6.083 -14.088 1.00 0.00 H new ATOM 1643 N SER A 100 -9.219 7.309 -9.928 1.00 0.00 N ATOM 1644 CA SER A 100 -10.335 6.374 -9.964 1.00 0.00 C ATOM 1645 C SER A 100 -10.138 5.227 -8.980 1.00 0.00 C ATOM 1646 O SER A 100 -10.921 5.055 -8.046 1.00 0.00 O ATOM 1647 CB SER A 100 -10.494 5.811 -11.376 1.00 0.00 C ATOM 1648 OG SER A 100 -11.197 6.749 -12.181 1.00 0.00 O ATOM 0 H SER A 100 -8.496 7.139 -10.627 1.00 0.00 H new ATOM 0 HA SER A 100 -11.234 6.918 -9.676 1.00 0.00 H new ATOM 0 HB2 SER A 100 -9.516 5.604 -11.809 1.00 0.00 H new ATOM 0 HB3 SER A 100 -11.035 4.865 -11.344 1.00 0.00 H new ATOM 0 HG SER A 100 -10.584 7.141 -12.837 1.00 0.00 H new ATOM 1654 N CYS A 101 -9.098 4.439 -9.197 1.00 0.00 N ATOM 1655 CA CYS A 101 -8.828 3.308 -8.320 1.00 0.00 C ATOM 1656 C CYS A 101 -9.026 3.709 -6.867 1.00 0.00 C ATOM 1657 O CYS A 101 -9.330 2.873 -6.007 1.00 0.00 O ATOM 1658 CB CYS A 101 -7.390 2.800 -8.557 1.00 0.00 C ATOM 1659 SG CYS A 101 -6.292 3.253 -7.184 1.00 0.00 S ATOM 0 H CYS A 101 -8.434 4.557 -9.962 1.00 0.00 H new ATOM 0 HA CYS A 101 -9.526 2.502 -8.547 1.00 0.00 H new ATOM 0 HB2 CYS A 101 -7.400 1.716 -8.674 1.00 0.00 H new ATOM 0 HB3 CYS A 101 -7.004 3.218 -9.487 1.00 0.00 H new ATOM 0 HG CYS A 101 -5.255 3.886 -7.648 1.00 0.00 H new ATOM 1664 N ALA A 102 -8.862 4.995 -6.597 1.00 0.00 N ATOM 1665 CA ALA A 102 -9.024 5.479 -5.242 1.00 0.00 C ATOM 1666 C ALA A 102 -10.489 5.472 -4.878 1.00 0.00 C ATOM 1667 O ALA A 102 -10.877 5.006 -3.810 1.00 0.00 O ATOM 1668 CB ALA A 102 -8.459 6.896 -5.100 1.00 0.00 C ATOM 0 H ALA A 102 -8.621 5.708 -7.286 1.00 0.00 H new ATOM 0 HA ALA A 102 -8.475 4.822 -4.567 1.00 0.00 H new ATOM 0 HB1 ALA A 102 -8.592 7.239 -4.074 1.00 0.00 H new ATOM 0 HB2 ALA A 102 -7.397 6.891 -5.347 1.00 0.00 H new ATOM 0 HB3 ALA A 102 -8.986 7.567 -5.778 1.00 0.00 H new ATOM 1674 N GLN A 103 -11.303 5.975 -5.787 1.00 0.00 N ATOM 1675 CA GLN A 103 -12.730 6.003 -5.567 1.00 0.00 C ATOM 1676 C GLN A 103 -13.212 4.617 -5.213 1.00 0.00 C ATOM 1677 O GLN A 103 -13.746 4.395 -4.127 1.00 0.00 O ATOM 1678 CB GLN A 103 -13.429 6.471 -6.832 1.00 0.00 C ATOM 1679 CG GLN A 103 -13.331 7.982 -6.918 1.00 0.00 C ATOM 1680 CD GLN A 103 -14.162 8.499 -8.086 1.00 0.00 C ATOM 1681 OE1 GLN A 103 -13.982 8.058 -9.221 1.00 0.00 O ATOM 1682 NE2 GLN A 103 -15.067 9.414 -7.874 1.00 0.00 N ATOM 0 H GLN A 103 -10.999 6.367 -6.679 1.00 0.00 H new ATOM 0 HA GLN A 103 -12.957 6.688 -4.750 1.00 0.00 H new ATOM 0 HB2 GLN A 103 -12.969 6.013 -7.708 1.00 0.00 H new ATOM 0 HB3 GLN A 103 -14.474 6.161 -6.822 1.00 0.00 H new ATOM 0 HG2 GLN A 103 -13.680 8.430 -5.988 1.00 0.00 H new ATOM 0 HG3 GLN A 103 -12.290 8.279 -7.043 1.00 0.00 H new ATOM 0 HE21 GLN A 103 -15.214 9.778 -6.932 1.00 0.00 H new ATOM 0 HE22 GLN A 103 -15.628 9.766 -8.650 1.00 0.00 H new ATOM 1691 N GLU A 104 -12.995 3.681 -6.137 1.00 0.00 N ATOM 1692 CA GLU A 104 -13.396 2.296 -5.914 1.00 0.00 C ATOM 1693 C GLU A 104 -13.192 1.951 -4.449 1.00 0.00 C ATOM 1694 O GLU A 104 -14.143 1.648 -3.718 1.00 0.00 O ATOM 1695 CB GLU A 104 -12.561 1.367 -6.793 1.00 0.00 C ATOM 1696 CG GLU A 104 -13.178 1.295 -8.193 1.00 0.00 C ATOM 1697 CD GLU A 104 -13.637 2.679 -8.647 1.00 0.00 C ATOM 1698 OE1 GLU A 104 -12.783 3.525 -8.858 1.00 0.00 O ATOM 1699 OE2 GLU A 104 -14.834 2.871 -8.777 1.00 0.00 O ATOM 0 H GLU A 104 -12.548 3.856 -7.037 1.00 0.00 H new ATOM 0 HA GLU A 104 -14.447 2.171 -6.174 1.00 0.00 H new ATOM 0 HB2 GLU A 104 -11.536 1.732 -6.854 1.00 0.00 H new ATOM 0 HB3 GLU A 104 -12.519 0.371 -6.351 1.00 0.00 H new ATOM 0 HG2 GLU A 104 -12.448 0.898 -8.898 1.00 0.00 H new ATOM 0 HG3 GLU A 104 -14.024 0.608 -8.189 1.00 0.00 H new ATOM 1706 N MET A 105 -11.942 2.040 -4.020 1.00 0.00 N ATOM 1707 CA MET A 105 -11.611 1.777 -2.645 1.00 0.00 C ATOM 1708 C MET A 105 -12.429 2.699 -1.730 1.00 0.00 C ATOM 1709 O MET A 105 -13.302 2.220 -1.014 1.00 0.00 O ATOM 1710 CB MET A 105 -10.094 1.945 -2.481 1.00 0.00 C ATOM 1711 CG MET A 105 -9.554 1.034 -1.375 1.00 0.00 C ATOM 1712 SD MET A 105 -9.694 1.870 0.217 1.00 0.00 S ATOM 1713 CE MET A 105 -8.471 3.163 -0.097 1.00 0.00 C ATOM 0 H MET A 105 -11.149 2.292 -4.609 1.00 0.00 H new ATOM 0 HA MET A 105 -11.868 0.758 -2.356 1.00 0.00 H new ATOM 0 HB2 MET A 105 -9.596 1.714 -3.422 1.00 0.00 H new ATOM 0 HB3 MET A 105 -9.864 2.984 -2.245 1.00 0.00 H new ATOM 0 HG2 MET A 105 -10.112 0.098 -1.356 1.00 0.00 H new ATOM 0 HG3 MET A 105 -8.513 0.781 -1.574 1.00 0.00 H new ATOM 0 HE1 MET A 105 -7.758 3.197 0.726 1.00 0.00 H new ATOM 0 HE2 MET A 105 -7.943 2.947 -1.026 1.00 0.00 H new ATOM 0 HE3 MET A 105 -8.974 4.127 -0.181 1.00 0.00 H new ATOM 1723 N ALA A 106 -12.180 4.012 -1.766 1.00 0.00 N ATOM 1724 CA ALA A 106 -12.940 4.941 -0.917 1.00 0.00 C ATOM 1725 C ALA A 106 -14.362 4.451 -0.683 1.00 0.00 C ATOM 1726 O ALA A 106 -14.771 4.275 0.450 1.00 0.00 O ATOM 1727 CB ALA A 106 -13.063 6.324 -1.555 1.00 0.00 C ATOM 0 H ALA A 106 -11.475 4.450 -2.359 1.00 0.00 H new ATOM 0 HA ALA A 106 -12.386 4.995 0.020 1.00 0.00 H new ATOM 0 HB1 ALA A 106 -13.631 6.980 -0.895 1.00 0.00 H new ATOM 0 HB2 ALA A 106 -12.069 6.742 -1.713 1.00 0.00 H new ATOM 0 HB3 ALA A 106 -13.577 6.239 -2.512 1.00 0.00 H new ATOM 1733 N LYS A 107 -15.131 4.243 -1.751 1.00 0.00 N ATOM 1734 CA LYS A 107 -16.498 3.783 -1.573 1.00 0.00 C ATOM 1735 C LYS A 107 -16.527 2.701 -0.535 1.00 0.00 C ATOM 1736 O LYS A 107 -17.003 2.888 0.581 1.00 0.00 O ATOM 1737 CB LYS A 107 -17.011 3.188 -2.862 1.00 0.00 C ATOM 1738 CG LYS A 107 -17.312 4.304 -3.877 1.00 0.00 C ATOM 1739 CD LYS A 107 -16.683 3.955 -5.218 1.00 0.00 C ATOM 1740 CE LYS A 107 -17.405 2.749 -5.804 1.00 0.00 C ATOM 1741 NZ LYS A 107 -18.775 3.149 -6.229 1.00 0.00 N ATOM 0 H LYS A 107 -14.839 4.382 -2.718 1.00 0.00 H new ATOM 0 HA LYS A 107 -17.114 4.630 -1.272 1.00 0.00 H new ATOM 0 HB2 LYS A 107 -16.272 2.501 -3.274 1.00 0.00 H new ATOM 0 HB3 LYS A 107 -17.913 2.608 -2.670 1.00 0.00 H new ATOM 0 HG2 LYS A 107 -18.389 4.427 -3.990 1.00 0.00 H new ATOM 0 HG3 LYS A 107 -16.919 5.254 -3.516 1.00 0.00 H new ATOM 0 HD2 LYS A 107 -16.753 4.803 -5.899 1.00 0.00 H new ATOM 0 HD3 LYS A 107 -15.623 3.734 -5.091 1.00 0.00 H new ATOM 0 HE2 LYS A 107 -16.849 2.357 -6.655 1.00 0.00 H new ATOM 0 HE3 LYS A 107 -17.461 1.950 -5.064 1.00 0.00 H new ATOM 0 HZ1 LYS A 107 -19.134 2.468 -6.928 1.00 0.00 H new ATOM 0 HZ2 LYS A 107 -19.405 3.161 -5.402 1.00 0.00 H new ATOM 0 HZ3 LYS A 107 -18.743 4.098 -6.654 1.00 0.00 H new ATOM 1755 N PHE A 108 -15.993 1.566 -0.928 1.00 0.00 N ATOM 1756 CA PHE A 108 -15.932 0.422 -0.038 1.00 0.00 C ATOM 1757 C PHE A 108 -15.655 0.889 1.391 1.00 0.00 C ATOM 1758 O PHE A 108 -16.018 0.226 2.363 1.00 0.00 O ATOM 1759 CB PHE A 108 -14.827 -0.514 -0.511 1.00 0.00 C ATOM 1760 CG PHE A 108 -15.388 -1.398 -1.585 1.00 0.00 C ATOM 1761 CD1 PHE A 108 -15.846 -0.838 -2.782 1.00 0.00 C ATOM 1762 CD2 PHE A 108 -15.482 -2.768 -1.368 1.00 0.00 C ATOM 1763 CE1 PHE A 108 -16.396 -1.657 -3.767 1.00 0.00 C ATOM 1764 CE2 PHE A 108 -16.036 -3.593 -2.348 1.00 0.00 C ATOM 1765 CZ PHE A 108 -16.494 -3.039 -3.552 1.00 0.00 C ATOM 0 H PHE A 108 -15.595 1.408 -1.854 1.00 0.00 H new ATOM 0 HA PHE A 108 -16.885 -0.107 -0.050 1.00 0.00 H new ATOM 0 HB2 PHE A 108 -13.982 0.059 -0.893 1.00 0.00 H new ATOM 0 HB3 PHE A 108 -14.456 -1.114 0.320 1.00 0.00 H new ATOM 0 HD1 PHE A 108 -15.774 0.227 -2.943 1.00 0.00 H new ATOM 0 HD2 PHE A 108 -15.126 -3.194 -0.441 1.00 0.00 H new ATOM 0 HE1 PHE A 108 -16.746 -1.228 -4.694 1.00 0.00 H new ATOM 0 HE2 PHE A 108 -16.112 -4.657 -2.179 1.00 0.00 H new ATOM 0 HZ PHE A 108 -16.921 -3.676 -4.312 1.00 0.00 H new ATOM 1775 N ILE A 109 -14.983 2.035 1.491 1.00 0.00 N ATOM 1776 CA ILE A 109 -14.611 2.615 2.766 1.00 0.00 C ATOM 1777 C ILE A 109 -15.590 3.709 3.221 1.00 0.00 C ATOM 1778 O ILE A 109 -15.742 3.947 4.420 1.00 0.00 O ATOM 1779 CB ILE A 109 -13.210 3.212 2.586 1.00 0.00 C ATOM 1780 CG1 ILE A 109 -12.174 2.144 2.825 1.00 0.00 C ATOM 1781 CG2 ILE A 109 -12.975 4.364 3.537 1.00 0.00 C ATOM 1782 CD1 ILE A 109 -12.232 1.148 1.685 1.00 0.00 C ATOM 0 H ILE A 109 -14.684 2.583 0.684 1.00 0.00 H new ATOM 0 HA ILE A 109 -14.633 1.845 3.537 1.00 0.00 H new ATOM 0 HB ILE A 109 -13.130 3.591 1.567 1.00 0.00 H new ATOM 0 HG12 ILE A 109 -11.181 2.588 2.888 1.00 0.00 H new ATOM 0 HG13 ILE A 109 -12.360 1.643 3.775 1.00 0.00 H new ATOM 0 HG21 ILE A 109 -11.973 4.764 3.383 1.00 0.00 H new ATOM 0 HG22 ILE A 109 -13.711 5.146 3.350 1.00 0.00 H new ATOM 0 HG23 ILE A 109 -13.072 4.013 4.564 1.00 0.00 H new ATOM 0 HD11 ILE A 109 -11.487 0.369 1.845 1.00 0.00 H new ATOM 0 HD12 ILE A 109 -13.224 0.699 1.644 1.00 0.00 H new ATOM 0 HD13 ILE A 109 -12.027 1.659 0.744 1.00 0.00 H new ATOM 1794 N SER A 110 -16.227 4.383 2.273 1.00 0.00 N ATOM 1795 CA SER A 110 -17.152 5.456 2.610 1.00 0.00 C ATOM 1796 C SER A 110 -18.558 4.893 2.772 1.00 0.00 C ATOM 1797 O SER A 110 -19.390 5.445 3.492 1.00 0.00 O ATOM 1798 CB SER A 110 -17.132 6.525 1.514 1.00 0.00 C ATOM 1799 OG SER A 110 -18.358 6.492 0.796 1.00 0.00 O ATOM 0 H SER A 110 -16.122 4.208 1.274 1.00 0.00 H new ATOM 0 HA SER A 110 -16.845 5.913 3.551 1.00 0.00 H new ATOM 0 HB2 SER A 110 -16.983 7.511 1.955 1.00 0.00 H new ATOM 0 HB3 SER A 110 -16.297 6.350 0.836 1.00 0.00 H new ATOM 0 HG SER A 110 -18.346 7.177 0.096 1.00 0.00 H new ATOM 1805 N LYS A 111 -18.797 3.776 2.099 1.00 0.00 N ATOM 1806 CA LYS A 111 -20.080 3.102 2.157 1.00 0.00 C ATOM 1807 C LYS A 111 -20.167 2.267 3.428 1.00 0.00 C ATOM 1808 O LYS A 111 -21.227 2.152 4.043 1.00 0.00 O ATOM 1809 CB LYS A 111 -20.225 2.185 0.950 1.00 0.00 C ATOM 1810 CG LYS A 111 -20.057 2.943 -0.380 1.00 0.00 C ATOM 1811 CD LYS A 111 -20.562 4.399 -0.301 1.00 0.00 C ATOM 1812 CE LYS A 111 -22.066 4.442 0.025 1.00 0.00 C ATOM 1813 NZ LYS A 111 -22.812 4.950 -1.161 1.00 0.00 N ATOM 0 H LYS A 111 -18.110 3.316 1.502 1.00 0.00 H new ATOM 0 HA LYS A 111 -20.876 3.847 2.155 1.00 0.00 H new ATOM 0 HB2 LYS A 111 -19.482 1.389 1.009 1.00 0.00 H new ATOM 0 HB3 LYS A 111 -21.205 1.709 0.973 1.00 0.00 H new ATOM 0 HG2 LYS A 111 -19.005 2.942 -0.664 1.00 0.00 H new ATOM 0 HG3 LYS A 111 -20.599 2.416 -1.165 1.00 0.00 H new ATOM 0 HD2 LYS A 111 -20.005 4.940 0.463 1.00 0.00 H new ATOM 0 HD3 LYS A 111 -20.377 4.904 -1.249 1.00 0.00 H new ATOM 0 HE2 LYS A 111 -22.420 3.447 0.293 1.00 0.00 H new ATOM 0 HE3 LYS A 111 -22.245 5.087 0.885 1.00 0.00 H new ATOM 0 HZ1 LYS A 111 -23.829 4.981 -0.945 1.00 0.00 H new ATOM 0 HZ2 LYS A 111 -22.479 5.907 -1.397 1.00 0.00 H new ATOM 0 HZ3 LYS A 111 -22.649 4.318 -1.970 1.00 0.00 H new ATOM 1827 N ASN A 112 -19.033 1.691 3.810 1.00 0.00 N ATOM 1828 CA ASN A 112 -18.958 0.862 5.007 1.00 0.00 C ATOM 1829 C ASN A 112 -18.029 1.503 6.032 1.00 0.00 C ATOM 1830 O ASN A 112 -16.857 1.147 6.133 1.00 0.00 O ATOM 1831 CB ASN A 112 -18.446 -0.532 4.643 1.00 0.00 C ATOM 1832 CG ASN A 112 -19.139 -1.024 3.377 1.00 0.00 C ATOM 1833 OD1 ASN A 112 -20.023 -0.348 2.849 1.00 0.00 O ATOM 1834 ND2 ASN A 112 -18.788 -2.167 2.853 1.00 0.00 N ATOM 0 H ASN A 112 -18.151 1.783 3.307 1.00 0.00 H new ATOM 0 HA ASN A 112 -19.955 0.776 5.439 1.00 0.00 H new ATOM 0 HB2 ASN A 112 -17.367 -0.504 4.490 1.00 0.00 H new ATOM 0 HB3 ASN A 112 -18.634 -1.224 5.464 1.00 0.00 H new ATOM 0 HD21 ASN A 112 -19.246 -2.501 2.005 1.00 0.00 H new ATOM 0 HD22 ASN A 112 -18.056 -2.726 3.291 1.00 0.00 H new ATOM 1841 N LYS A 113 -18.572 2.460 6.775 1.00 0.00 N ATOM 1842 CA LYS A 113 -17.815 3.177 7.793 1.00 0.00 C ATOM 1843 C LYS A 113 -17.356 2.242 8.908 1.00 0.00 C ATOM 1844 O LYS A 113 -17.683 2.451 10.076 1.00 0.00 O ATOM 1845 CB LYS A 113 -18.679 4.278 8.397 1.00 0.00 C ATOM 1846 CG LYS A 113 -18.978 5.361 7.349 1.00 0.00 C ATOM 1847 CD LYS A 113 -20.254 5.017 6.566 1.00 0.00 C ATOM 1848 CE LYS A 113 -20.768 6.274 5.862 1.00 0.00 C ATOM 1849 NZ LYS A 113 -21.511 7.120 6.840 1.00 0.00 N ATOM 0 H LYS A 113 -19.543 2.759 6.690 1.00 0.00 H new ATOM 0 HA LYS A 113 -16.935 3.605 7.313 1.00 0.00 H new ATOM 0 HB2 LYS A 113 -19.612 3.854 8.768 1.00 0.00 H new ATOM 0 HB3 LYS A 113 -18.169 4.722 9.252 1.00 0.00 H new ATOM 0 HG2 LYS A 113 -19.095 6.327 7.840 1.00 0.00 H new ATOM 0 HG3 LYS A 113 -18.137 5.452 6.662 1.00 0.00 H new ATOM 0 HD2 LYS A 113 -20.047 4.236 5.835 1.00 0.00 H new ATOM 0 HD3 LYS A 113 -21.015 4.627 7.242 1.00 0.00 H new ATOM 0 HE2 LYS A 113 -19.934 6.834 5.439 1.00 0.00 H new ATOM 0 HE3 LYS A 113 -21.420 5.999 5.033 1.00 0.00 H new ATOM 0 HZ1 LYS A 113 -22.389 7.466 6.403 1.00 0.00 H new ATOM 0 HZ2 LYS A 113 -21.742 6.555 7.682 1.00 0.00 H new ATOM 0 HZ3 LYS A 113 -20.920 7.930 7.118 1.00 0.00 H new ATOM 1863 N HIS A 114 -16.594 1.216 8.548 1.00 0.00 N ATOM 1864 CA HIS A 114 -16.097 0.266 9.539 1.00 0.00 C ATOM 1865 C HIS A 114 -14.762 -0.337 9.097 1.00 0.00 C ATOM 1866 O HIS A 114 -14.362 -1.399 9.577 1.00 0.00 O ATOM 1867 CB HIS A 114 -17.130 -0.847 9.762 1.00 0.00 C ATOM 1868 CG HIS A 114 -17.026 -1.878 8.670 1.00 0.00 C ATOM 1869 ND1 HIS A 114 -16.869 -1.533 7.337 1.00 0.00 N ATOM 1870 CD2 HIS A 114 -17.053 -3.251 8.701 1.00 0.00 C ATOM 1871 CE1 HIS A 114 -16.807 -2.676 6.627 1.00 0.00 C ATOM 1872 NE2 HIS A 114 -16.914 -3.751 7.411 1.00 0.00 N ATOM 0 H HIS A 114 -16.309 1.021 7.588 1.00 0.00 H new ATOM 0 HA HIS A 114 -15.936 0.800 10.476 1.00 0.00 H new ATOM 0 HB2 HIS A 114 -16.966 -1.316 10.732 1.00 0.00 H new ATOM 0 HB3 HIS A 114 -18.134 -0.423 9.778 1.00 0.00 H new ATOM 0 HD1 HIS A 114 -16.811 -0.586 6.962 1.00 0.00 H new ATOM 0 HD2 HIS A 114 -17.165 -3.851 9.592 1.00 0.00 H new ATOM 0 HE1 HIS A 114 -16.686 -2.718 5.555 1.00 0.00 H new ATOM 0 HE2 HIS A 114 -16.897 -4.730 7.125 1.00 0.00 H new ATOM 1881 N VAL A 115 -14.080 0.345 8.178 1.00 0.00 N ATOM 1882 CA VAL A 115 -12.796 -0.125 7.669 1.00 0.00 C ATOM 1883 C VAL A 115 -11.674 0.858 8.057 1.00 0.00 C ATOM 1884 O VAL A 115 -11.918 2.054 8.222 1.00 0.00 O ATOM 1885 CB VAL A 115 -12.896 -0.258 6.136 1.00 0.00 C ATOM 1886 CG1 VAL A 115 -11.554 0.038 5.515 1.00 0.00 C ATOM 1887 CG2 VAL A 115 -13.292 -1.683 5.746 1.00 0.00 C ATOM 0 H VAL A 115 -14.397 1.225 7.772 1.00 0.00 H new ATOM 0 HA VAL A 115 -12.555 -1.094 8.106 1.00 0.00 H new ATOM 0 HB VAL A 115 -13.650 0.445 5.781 1.00 0.00 H new ATOM 0 HG11 VAL A 115 -11.626 -0.056 4.431 1.00 0.00 H new ATOM 0 HG12 VAL A 115 -11.250 1.053 5.772 1.00 0.00 H new ATOM 0 HG13 VAL A 115 -10.815 -0.668 5.892 1.00 0.00 H new ATOM 0 HG21 VAL A 115 -13.358 -1.758 4.661 1.00 0.00 H new ATOM 0 HG22 VAL A 115 -12.541 -2.383 6.113 1.00 0.00 H new ATOM 0 HG23 VAL A 115 -14.260 -1.925 6.186 1.00 0.00 H new ATOM 1897 N SER A 116 -10.445 0.344 8.185 1.00 0.00 N ATOM 1898 CA SER A 116 -9.294 1.191 8.537 1.00 0.00 C ATOM 1899 C SER A 116 -8.044 0.840 7.712 1.00 0.00 C ATOM 1900 O SER A 116 -7.401 -0.180 7.961 1.00 0.00 O ATOM 1901 CB SER A 116 -8.968 1.031 10.018 1.00 0.00 C ATOM 1902 OG SER A 116 -9.897 1.782 10.789 1.00 0.00 O ATOM 0 H SER A 116 -10.221 -0.642 8.052 1.00 0.00 H new ATOM 0 HA SER A 116 -9.571 2.222 8.315 1.00 0.00 H new ATOM 0 HB2 SER A 116 -9.011 -0.021 10.300 1.00 0.00 H new ATOM 0 HB3 SER A 116 -7.952 1.373 10.217 1.00 0.00 H new ATOM 0 HG SER A 116 -9.690 1.679 11.741 1.00 0.00 H new ATOM 1908 N LEU A 117 -7.699 1.684 6.734 1.00 0.00 N ATOM 1909 CA LEU A 117 -6.524 1.443 5.892 1.00 0.00 C ATOM 1910 C LEU A 117 -5.400 2.407 6.226 1.00 0.00 C ATOM 1911 O LEU A 117 -5.613 3.615 6.305 1.00 0.00 O ATOM 1912 CB LEU A 117 -6.867 1.665 4.430 1.00 0.00 C ATOM 1913 CG LEU A 117 -7.692 0.511 3.868 1.00 0.00 C ATOM 1914 CD1 LEU A 117 -8.633 -0.053 4.905 1.00 0.00 C ATOM 1915 CD2 LEU A 117 -8.521 1.045 2.730 1.00 0.00 C ATOM 0 H LEU A 117 -8.214 2.535 6.507 1.00 0.00 H new ATOM 0 HA LEU A 117 -6.212 0.415 6.075 1.00 0.00 H new ATOM 0 HB2 LEU A 117 -7.422 2.597 4.323 1.00 0.00 H new ATOM 0 HB3 LEU A 117 -5.949 1.773 3.852 1.00 0.00 H new ATOM 0 HG LEU A 117 -7.013 -0.279 3.547 1.00 0.00 H new ATOM 0 HD11 LEU A 117 -9.205 -0.873 4.470 1.00 0.00 H new ATOM 0 HD12 LEU A 117 -8.059 -0.422 5.755 1.00 0.00 H new ATOM 0 HD13 LEU A 117 -9.316 0.728 5.240 1.00 0.00 H new ATOM 0 HD21 LEU A 117 -9.122 0.239 2.308 1.00 0.00 H new ATOM 0 HD22 LEU A 117 -9.178 1.834 3.097 1.00 0.00 H new ATOM 0 HD23 LEU A 117 -7.864 1.449 1.960 1.00 0.00 H new ATOM 1927 N CYS A 118 -4.194 1.880 6.361 1.00 0.00 N ATOM 1928 CA CYS A 118 -3.035 2.715 6.619 1.00 0.00 C ATOM 1929 C CYS A 118 -2.036 2.517 5.486 1.00 0.00 C ATOM 1930 O CYS A 118 -1.240 1.578 5.507 1.00 0.00 O ATOM 1931 CB CYS A 118 -2.395 2.326 7.950 1.00 0.00 C ATOM 1932 SG CYS A 118 -3.339 3.053 9.312 1.00 0.00 S ATOM 0 H CYS A 118 -3.994 0.882 6.296 1.00 0.00 H new ATOM 0 HA CYS A 118 -3.336 3.761 6.673 1.00 0.00 H new ATOM 0 HB2 CYS A 118 -2.370 1.241 8.050 1.00 0.00 H new ATOM 0 HB3 CYS A 118 -1.362 2.673 7.984 1.00 0.00 H new ATOM 0 HG CYS A 118 -2.794 2.719 10.444 1.00 0.00 H new ATOM 1938 N ILE A 119 -2.109 3.378 4.472 1.00 0.00 N ATOM 1939 CA ILE A 119 -1.241 3.252 3.328 1.00 0.00 C ATOM 1940 C ILE A 119 0.093 3.949 3.520 1.00 0.00 C ATOM 1941 O ILE A 119 0.159 5.118 3.900 1.00 0.00 O ATOM 1942 CB ILE A 119 -1.946 3.855 2.133 1.00 0.00 C ATOM 1943 CG1 ILE A 119 -3.399 3.349 2.131 1.00 0.00 C ATOM 1944 CG2 ILE A 119 -1.207 3.438 0.859 1.00 0.00 C ATOM 1945 CD1 ILE A 119 -3.972 3.399 0.727 1.00 0.00 C ATOM 0 H ILE A 119 -2.760 4.162 4.430 1.00 0.00 H new ATOM 0 HA ILE A 119 -1.029 2.193 3.182 1.00 0.00 H new ATOM 0 HB ILE A 119 -1.951 4.944 2.181 1.00 0.00 H new ATOM 0 HG12 ILE A 119 -3.436 2.328 2.510 1.00 0.00 H new ATOM 0 HG13 ILE A 119 -4.005 3.960 2.800 1.00 0.00 H new ATOM 0 HG21 ILE A 119 -1.707 3.868 -0.009 1.00 0.00 H new ATOM 0 HG22 ILE A 119 -0.179 3.798 0.900 1.00 0.00 H new ATOM 0 HG23 ILE A 119 -1.208 2.351 0.777 1.00 0.00 H new ATOM 0 HD11 ILE A 119 -5.000 3.038 0.741 1.00 0.00 H new ATOM 0 HD12 ILE A 119 -3.953 4.426 0.362 1.00 0.00 H new ATOM 0 HD13 ILE A 119 -3.375 2.769 0.068 1.00 0.00 H new ATOM 1957 N PHE A 120 1.155 3.219 3.205 1.00 0.00 N ATOM 1958 CA PHE A 120 2.503 3.756 3.285 1.00 0.00 C ATOM 1959 C PHE A 120 3.007 3.938 1.864 1.00 0.00 C ATOM 1960 O PHE A 120 3.365 2.972 1.190 1.00 0.00 O ATOM 1961 CB PHE A 120 3.411 2.792 4.051 1.00 0.00 C ATOM 1962 CG PHE A 120 3.389 3.130 5.524 1.00 0.00 C ATOM 1963 CD1 PHE A 120 4.290 4.068 6.041 1.00 0.00 C ATOM 1964 CD2 PHE A 120 2.468 2.503 6.372 1.00 0.00 C ATOM 1965 CE1 PHE A 120 4.270 4.380 7.405 1.00 0.00 C ATOM 1966 CE2 PHE A 120 2.448 2.815 7.737 1.00 0.00 C ATOM 1967 CZ PHE A 120 3.349 3.754 8.253 1.00 0.00 C ATOM 0 H PHE A 120 1.106 2.250 2.891 1.00 0.00 H new ATOM 0 HA PHE A 120 2.505 4.708 3.815 1.00 0.00 H new ATOM 0 HB2 PHE A 120 3.078 1.765 3.899 1.00 0.00 H new ATOM 0 HB3 PHE A 120 4.430 2.856 3.669 1.00 0.00 H new ATOM 0 HD1 PHE A 120 5.001 4.551 5.387 1.00 0.00 H new ATOM 0 HD2 PHE A 120 1.773 1.779 5.973 1.00 0.00 H new ATOM 0 HE1 PHE A 120 4.965 5.104 7.803 1.00 0.00 H new ATOM 0 HE2 PHE A 120 1.738 2.331 8.391 1.00 0.00 H new ATOM 0 HZ PHE A 120 3.333 3.995 9.306 1.00 0.00 H new ATOM 1977 N THR A 121 2.988 5.178 1.403 1.00 0.00 N ATOM 1978 CA THR A 121 3.397 5.491 0.042 1.00 0.00 C ATOM 1979 C THR A 121 4.615 6.415 0.047 1.00 0.00 C ATOM 1980 O THR A 121 4.613 7.465 0.690 1.00 0.00 O ATOM 1981 CB THR A 121 2.213 6.138 -0.703 1.00 0.00 C ATOM 1982 OG1 THR A 121 2.577 7.438 -1.143 1.00 0.00 O ATOM 1983 CG2 THR A 121 0.995 6.231 0.231 1.00 0.00 C ATOM 0 H THR A 121 2.693 5.986 1.952 1.00 0.00 H new ATOM 0 HA THR A 121 3.683 4.574 -0.474 1.00 0.00 H new ATOM 0 HB THR A 121 1.956 5.523 -1.566 1.00 0.00 H new ATOM 0 HG1 THR A 121 1.802 8.034 -1.079 1.00 0.00 H new ATOM 0 HG21 THR A 121 0.162 6.689 -0.302 1.00 0.00 H new ATOM 0 HG22 THR A 121 0.710 5.231 0.558 1.00 0.00 H new ATOM 0 HG23 THR A 121 1.248 6.839 1.100 1.00 0.00 H new ATOM 1991 N ALA A 122 5.667 5.991 -0.653 1.00 0.00 N ATOM 1992 CA ALA A 122 6.911 6.754 -0.709 1.00 0.00 C ATOM 1993 C ALA A 122 6.747 8.076 -1.454 1.00 0.00 C ATOM 1994 O ALA A 122 6.912 9.144 -0.865 1.00 0.00 O ATOM 1995 CB ALA A 122 8.002 5.921 -1.381 1.00 0.00 C ATOM 0 H ALA A 122 5.681 5.123 -1.189 1.00 0.00 H new ATOM 0 HA ALA A 122 7.194 6.986 0.318 1.00 0.00 H new ATOM 0 HB1 ALA A 122 8.927 6.496 -1.419 1.00 0.00 H new ATOM 0 HB2 ALA A 122 8.166 5.007 -0.810 1.00 0.00 H new ATOM 0 HB3 ALA A 122 7.692 5.664 -2.394 1.00 0.00 H new ATOM 2001 N ARG A 123 6.445 8.013 -2.747 1.00 0.00 N ATOM 2002 CA ARG A 123 6.291 9.239 -3.526 1.00 0.00 C ATOM 2003 C ARG A 123 5.469 9.008 -4.789 1.00 0.00 C ATOM 2004 O ARG A 123 5.414 7.898 -5.318 1.00 0.00 O ATOM 2005 CB ARG A 123 7.671 9.791 -3.904 1.00 0.00 C ATOM 2006 CG ARG A 123 8.500 8.708 -4.617 1.00 0.00 C ATOM 2007 CD ARG A 123 8.425 8.904 -6.135 1.00 0.00 C ATOM 2008 NE ARG A 123 9.102 7.809 -6.820 1.00 0.00 N ATOM 2009 CZ ARG A 123 8.503 6.636 -6.998 1.00 0.00 C ATOM 2010 NH1 ARG A 123 7.292 6.448 -6.552 1.00 0.00 N ATOM 2011 NH2 ARG A 123 9.127 5.670 -7.618 1.00 0.00 N ATOM 0 H ARG A 123 6.305 7.148 -3.269 1.00 0.00 H new ATOM 0 HA ARG A 123 5.758 9.960 -2.907 1.00 0.00 H new ATOM 0 HB2 ARG A 123 7.558 10.659 -4.553 1.00 0.00 H new ATOM 0 HB3 ARG A 123 8.193 10.129 -3.009 1.00 0.00 H new ATOM 0 HG2 ARG A 123 9.538 8.757 -4.287 1.00 0.00 H new ATOM 0 HG3 ARG A 123 8.127 7.719 -4.351 1.00 0.00 H new ATOM 0 HD2 ARG A 123 7.383 8.951 -6.452 1.00 0.00 H new ATOM 0 HD3 ARG A 123 8.885 9.853 -6.409 1.00 0.00 H new ATOM 0 HE ARG A 123 10.051 7.946 -7.168 1.00 0.00 H new ATOM 0 HH11 ARG A 123 6.805 7.201 -6.067 1.00 0.00 H new ATOM 0 HH12 ARG A 123 6.832 5.548 -6.689 1.00 0.00 H new ATOM 0 HH21 ARG A 123 10.075 5.816 -7.966 1.00 0.00 H new ATOM 0 HH22 ARG A 123 8.666 4.770 -7.754 1.00 0.00 H new ATOM 2025 N ILE A 124 4.830 10.077 -5.262 1.00 0.00 N ATOM 2026 CA ILE A 124 4.003 10.009 -6.463 1.00 0.00 C ATOM 2027 C ILE A 124 4.294 11.194 -7.378 1.00 0.00 C ATOM 2028 O ILE A 124 4.409 12.330 -6.919 1.00 0.00 O ATOM 2029 CB ILE A 124 2.530 10.027 -6.064 1.00 0.00 C ATOM 2030 CG1 ILE A 124 2.249 11.295 -5.228 1.00 0.00 C ATOM 2031 CG2 ILE A 124 2.222 8.764 -5.256 1.00 0.00 C ATOM 2032 CD1 ILE A 124 1.145 11.036 -4.199 1.00 0.00 C ATOM 0 H ILE A 124 4.870 11.000 -4.831 1.00 0.00 H new ATOM 0 HA ILE A 124 4.232 9.087 -6.997 1.00 0.00 H new ATOM 0 HB ILE A 124 1.893 10.045 -6.948 1.00 0.00 H new ATOM 0 HG12 ILE A 124 3.160 11.609 -4.719 1.00 0.00 H new ATOM 0 HG13 ILE A 124 1.954 12.112 -5.887 1.00 0.00 H new ATOM 0 HG21 ILE A 124 1.172 8.765 -4.965 1.00 0.00 H new ATOM 0 HG22 ILE A 124 2.429 7.883 -5.864 1.00 0.00 H new ATOM 0 HG23 ILE A 124 2.846 8.742 -4.363 1.00 0.00 H new ATOM 0 HD11 ILE A 124 0.965 11.943 -3.622 1.00 0.00 H new ATOM 0 HD12 ILE A 124 0.229 10.745 -4.713 1.00 0.00 H new ATOM 0 HD13 ILE A 124 1.454 10.235 -3.528 1.00 0.00 H new ATOM 2044 N TYR A 125 4.410 10.925 -8.675 1.00 0.00 N ATOM 2045 CA TYR A 125 4.684 11.980 -9.645 1.00 0.00 C ATOM 2046 C TYR A 125 3.815 11.806 -10.886 1.00 0.00 C ATOM 2047 O TYR A 125 4.072 10.938 -11.721 1.00 0.00 O ATOM 2048 CB TYR A 125 6.164 11.954 -10.041 1.00 0.00 C ATOM 2049 CG TYR A 125 6.976 12.724 -9.025 1.00 0.00 C ATOM 2050 CD1 TYR A 125 7.231 12.169 -7.765 1.00 0.00 C ATOM 2051 CD2 TYR A 125 7.470 13.995 -9.343 1.00 0.00 C ATOM 2052 CE1 TYR A 125 7.981 12.885 -6.824 1.00 0.00 C ATOM 2053 CE2 TYR A 125 8.220 14.710 -8.402 1.00 0.00 C ATOM 2054 CZ TYR A 125 8.476 14.155 -7.142 1.00 0.00 C ATOM 2055 OH TYR A 125 9.216 14.859 -6.215 1.00 0.00 O ATOM 0 H TYR A 125 4.319 9.992 -9.077 1.00 0.00 H new ATOM 0 HA TYR A 125 4.450 12.941 -9.187 1.00 0.00 H new ATOM 0 HB2 TYR A 125 6.517 10.924 -10.098 1.00 0.00 H new ATOM 0 HB3 TYR A 125 6.293 12.391 -11.031 1.00 0.00 H new ATOM 0 HD1 TYR A 125 6.849 11.189 -7.519 1.00 0.00 H new ATOM 0 HD2 TYR A 125 7.272 14.424 -10.314 1.00 0.00 H new ATOM 0 HE1 TYR A 125 8.178 12.457 -5.852 1.00 0.00 H new ATOM 0 HE2 TYR A 125 8.601 15.690 -8.648 1.00 0.00 H new ATOM 0 HH TYR A 125 9.059 15.819 -6.332 1.00 0.00 H new ATOM 2065 N ASP A 126 2.783 12.638 -10.998 1.00 0.00 N ATOM 2066 CA ASP A 126 1.876 12.571 -12.141 1.00 0.00 C ATOM 2067 C ASP A 126 1.475 13.973 -12.590 1.00 0.00 C ATOM 2068 O ASP A 126 2.258 14.917 -12.480 1.00 0.00 O ATOM 2069 CB ASP A 126 0.624 11.776 -11.766 1.00 0.00 C ATOM 2070 CG ASP A 126 1.019 10.480 -11.067 1.00 0.00 C ATOM 2071 OD1 ASP A 126 1.491 9.584 -11.747 1.00 0.00 O ATOM 2072 OD2 ASP A 126 0.843 10.402 -9.863 1.00 0.00 O ATOM 0 H ASP A 126 2.555 13.362 -10.317 1.00 0.00 H new ATOM 0 HA ASP A 126 2.391 12.073 -12.962 1.00 0.00 H new ATOM 0 HB2 ASP A 126 -0.013 12.372 -11.112 1.00 0.00 H new ATOM 0 HB3 ASP A 126 0.043 11.554 -12.661 1.00 0.00 H new ATOM 2148 N GLN A 132 -8.211 14.135 -9.300 1.00 0.00 N ATOM 2149 CA GLN A 132 -7.761 13.921 -7.928 1.00 0.00 C ATOM 2150 C GLN A 132 -8.937 13.600 -7.005 1.00 0.00 C ATOM 2151 O GLN A 132 -8.741 13.205 -5.856 1.00 0.00 O ATOM 2152 CB GLN A 132 -7.033 15.167 -7.417 1.00 0.00 C ATOM 2153 CG GLN A 132 -7.974 16.373 -7.479 1.00 0.00 C ATOM 2154 CD GLN A 132 -7.240 17.630 -7.024 1.00 0.00 C ATOM 2155 OE1 GLN A 132 -6.096 17.860 -7.418 1.00 0.00 O ATOM 2156 NE2 GLN A 132 -7.831 18.463 -6.212 1.00 0.00 N ATOM 0 HA GLN A 132 -7.079 13.071 -7.925 1.00 0.00 H new ATOM 0 HB2 GLN A 132 -6.695 15.009 -6.393 1.00 0.00 H new ATOM 0 HB3 GLN A 132 -6.145 15.355 -8.020 1.00 0.00 H new ATOM 0 HG2 GLN A 132 -8.343 16.505 -8.496 1.00 0.00 H new ATOM 0 HG3 GLN A 132 -8.843 16.200 -6.845 1.00 0.00 H new ATOM 0 HE21 GLN A 132 -8.778 18.272 -5.886 1.00 0.00 H new ATOM 0 HE22 GLN A 132 -7.346 19.305 -5.903 1.00 0.00 H new ATOM 2165 N GLU A 133 -10.155 13.787 -7.510 1.00 0.00 N ATOM 2166 CA GLU A 133 -11.353 13.529 -6.717 1.00 0.00 C ATOM 2167 C GLU A 133 -11.141 12.354 -5.760 1.00 0.00 C ATOM 2168 O GLU A 133 -11.097 12.535 -4.544 1.00 0.00 O ATOM 2169 CB GLU A 133 -12.542 13.246 -7.645 1.00 0.00 C ATOM 2170 CG GLU A 133 -12.039 12.691 -8.968 1.00 0.00 C ATOM 2171 CD GLU A 133 -13.194 12.074 -9.751 1.00 0.00 C ATOM 2172 OE1 GLU A 133 -14.077 12.816 -10.149 1.00 0.00 O ATOM 2173 OE2 GLU A 133 -13.177 10.869 -9.942 1.00 0.00 O ATOM 0 H GLU A 133 -10.337 14.114 -8.459 1.00 0.00 H new ATOM 0 HA GLU A 133 -11.564 14.416 -6.119 1.00 0.00 H new ATOM 0 HB2 GLU A 133 -13.221 12.534 -7.175 1.00 0.00 H new ATOM 0 HB3 GLU A 133 -13.109 14.161 -7.816 1.00 0.00 H new ATOM 0 HG2 GLU A 133 -11.577 13.486 -9.553 1.00 0.00 H new ATOM 0 HG3 GLU A 133 -11.270 11.940 -8.787 1.00 0.00 H new ATOM 2180 N GLY A 134 -11.010 11.154 -6.314 1.00 0.00 N ATOM 2181 CA GLY A 134 -10.806 9.964 -5.497 1.00 0.00 C ATOM 2182 C GLY A 134 -9.754 10.208 -4.424 1.00 0.00 C ATOM 2183 O GLY A 134 -10.032 10.102 -3.233 1.00 0.00 O ATOM 0 H GLY A 134 -11.041 10.980 -7.319 1.00 0.00 H new ATOM 0 HA2 GLY A 134 -11.747 9.675 -5.029 1.00 0.00 H new ATOM 0 HA3 GLY A 134 -10.497 9.133 -6.131 1.00 0.00 H new ATOM 2187 N LEU A 135 -8.543 10.529 -4.863 1.00 0.00 N ATOM 2188 CA LEU A 135 -7.437 10.781 -3.946 1.00 0.00 C ATOM 2189 C LEU A 135 -7.943 11.408 -2.646 1.00 0.00 C ATOM 2190 O LEU A 135 -7.786 10.840 -1.566 1.00 0.00 O ATOM 2191 CB LEU A 135 -6.427 11.717 -4.625 1.00 0.00 C ATOM 2192 CG LEU A 135 -4.993 11.287 -4.297 1.00 0.00 C ATOM 2193 CD1 LEU A 135 -4.011 12.289 -4.911 1.00 0.00 C ATOM 2194 CD2 LEU A 135 -4.800 11.240 -2.776 1.00 0.00 C ATOM 0 H LEU A 135 -8.301 10.621 -5.850 1.00 0.00 H new ATOM 0 HA LEU A 135 -6.955 9.835 -3.699 1.00 0.00 H new ATOM 0 HB2 LEU A 135 -6.579 11.704 -5.704 1.00 0.00 H new ATOM 0 HB3 LEU A 135 -6.591 12.742 -4.292 1.00 0.00 H new ATOM 0 HG LEU A 135 -4.808 10.295 -4.710 1.00 0.00 H new ATOM 0 HD11 LEU A 135 -2.990 11.986 -4.680 1.00 0.00 H new ATOM 0 HD12 LEU A 135 -4.146 12.314 -5.992 1.00 0.00 H new ATOM 0 HD13 LEU A 135 -4.198 13.281 -4.499 1.00 0.00 H new ATOM 0 HD21 LEU A 135 -3.779 10.934 -2.548 1.00 0.00 H new ATOM 0 HD22 LEU A 135 -4.985 12.228 -2.355 1.00 0.00 H new ATOM 0 HD23 LEU A 135 -5.499 10.524 -2.343 1.00 0.00 H new ATOM 2206 N ARG A 136 -8.546 12.584 -2.761 1.00 0.00 N ATOM 2207 CA ARG A 136 -9.071 13.288 -1.605 1.00 0.00 C ATOM 2208 C ARG A 136 -10.238 12.527 -0.974 1.00 0.00 C ATOM 2209 O ARG A 136 -10.507 12.659 0.221 1.00 0.00 O ATOM 2210 CB ARG A 136 -9.553 14.674 -2.051 1.00 0.00 C ATOM 2211 CG ARG A 136 -9.882 15.541 -0.823 1.00 0.00 C ATOM 2212 CD ARG A 136 -11.386 15.837 -0.755 1.00 0.00 C ATOM 2213 NE ARG A 136 -12.122 14.644 -0.355 1.00 0.00 N ATOM 2214 CZ ARG A 136 -13.427 14.694 -0.109 1.00 0.00 C ATOM 2215 NH1 ARG A 136 -14.070 15.824 -0.225 1.00 0.00 N ATOM 2216 NH2 ARG A 136 -14.066 13.615 0.252 1.00 0.00 N ATOM 0 H ARG A 136 -8.683 13.069 -3.648 1.00 0.00 H new ATOM 0 HA ARG A 136 -8.280 13.375 -0.860 1.00 0.00 H new ATOM 0 HB2 ARG A 136 -8.784 15.159 -2.652 1.00 0.00 H new ATOM 0 HB3 ARG A 136 -10.436 14.575 -2.683 1.00 0.00 H new ATOM 0 HG2 ARG A 136 -9.566 15.028 0.085 1.00 0.00 H new ATOM 0 HG3 ARG A 136 -9.324 16.476 -0.872 1.00 0.00 H new ATOM 0 HD2 ARG A 136 -11.573 16.642 -0.045 1.00 0.00 H new ATOM 0 HD3 ARG A 136 -11.740 16.181 -1.727 1.00 0.00 H new ATOM 0 HE ARG A 136 -11.627 13.757 -0.262 1.00 0.00 H new ATOM 0 HH11 ARG A 136 -13.571 16.668 -0.504 1.00 0.00 H new ATOM 0 HH12 ARG A 136 -15.072 15.863 -0.036 1.00 0.00 H new ATOM 0 HH21 ARG A 136 -13.564 12.732 0.346 1.00 0.00 H new ATOM 0 HH22 ARG A 136 -15.068 13.654 0.441 1.00 0.00 H new ATOM 2230 N THR A 137 -10.940 11.754 -1.793 1.00 0.00 N ATOM 2231 CA THR A 137 -12.098 11.000 -1.329 1.00 0.00 C ATOM 2232 C THR A 137 -11.696 9.743 -0.552 1.00 0.00 C ATOM 2233 O THR A 137 -12.153 9.560 0.560 1.00 0.00 O ATOM 2234 CB THR A 137 -13.009 10.716 -2.542 1.00 0.00 C ATOM 2235 OG1 THR A 137 -14.230 11.423 -2.378 1.00 0.00 O ATOM 2236 CG2 THR A 137 -13.320 9.230 -2.704 1.00 0.00 C ATOM 0 H THR A 137 -10.727 11.633 -2.783 1.00 0.00 H new ATOM 0 HA THR A 137 -12.663 11.590 -0.607 1.00 0.00 H new ATOM 0 HB THR A 137 -12.478 11.044 -3.436 1.00 0.00 H new ATOM 0 HG1 THR A 137 -14.814 11.249 -3.145 1.00 0.00 H new ATOM 0 HG21 THR A 137 -13.964 9.086 -3.572 1.00 0.00 H new ATOM 0 HG22 THR A 137 -12.391 8.677 -2.845 1.00 0.00 H new ATOM 0 HG23 THR A 137 -13.827 8.865 -1.811 1.00 0.00 H new ATOM 2244 N LEU A 138 -10.846 8.888 -1.101 1.00 0.00 N ATOM 2245 CA LEU A 138 -10.445 7.690 -0.360 1.00 0.00 C ATOM 2246 C LEU A 138 -9.538 8.053 0.819 1.00 0.00 C ATOM 2247 O LEU A 138 -9.482 7.323 1.806 1.00 0.00 O ATOM 2248 CB LEU A 138 -9.800 6.656 -1.319 1.00 0.00 C ATOM 2249 CG LEU A 138 -8.318 6.502 -1.045 1.00 0.00 C ATOM 2250 CD1 LEU A 138 -7.707 5.456 -1.998 1.00 0.00 C ATOM 2251 CD2 LEU A 138 -7.616 7.863 -1.227 1.00 0.00 C ATOM 0 H LEU A 138 -10.429 8.990 -2.026 1.00 0.00 H new ATOM 0 HA LEU A 138 -11.331 7.221 0.068 1.00 0.00 H new ATOM 0 HB2 LEU A 138 -10.295 5.692 -1.204 1.00 0.00 H new ATOM 0 HB3 LEU A 138 -9.950 6.971 -2.352 1.00 0.00 H new ATOM 0 HG LEU A 138 -8.176 6.160 -0.020 1.00 0.00 H new ATOM 0 HD11 LEU A 138 -6.642 5.354 -1.792 1.00 0.00 H new ATOM 0 HD12 LEU A 138 -8.199 4.495 -1.848 1.00 0.00 H new ATOM 0 HD13 LEU A 138 -7.847 5.778 -3.030 1.00 0.00 H new ATOM 0 HD21 LEU A 138 -6.550 7.752 -1.030 1.00 0.00 H new ATOM 0 HD22 LEU A 138 -7.761 8.214 -2.249 1.00 0.00 H new ATOM 0 HD23 LEU A 138 -8.040 8.587 -0.531 1.00 0.00 H new ATOM 2263 N ALA A 139 -8.840 9.176 0.722 1.00 0.00 N ATOM 2264 CA ALA A 139 -7.957 9.593 1.801 1.00 0.00 C ATOM 2265 C ALA A 139 -8.776 10.148 2.959 1.00 0.00 C ATOM 2266 O ALA A 139 -8.428 9.966 4.125 1.00 0.00 O ATOM 2267 CB ALA A 139 -6.971 10.650 1.299 1.00 0.00 C ATOM 0 H ALA A 139 -8.867 9.806 -0.080 1.00 0.00 H new ATOM 0 HA ALA A 139 -7.394 8.727 2.149 1.00 0.00 H new ATOM 0 HB1 ALA A 139 -6.316 10.954 2.116 1.00 0.00 H new ATOM 0 HB2 ALA A 139 -6.372 10.233 0.489 1.00 0.00 H new ATOM 0 HB3 ALA A 139 -7.522 11.517 0.934 1.00 0.00 H new ATOM 2273 N GLU A 140 -9.869 10.827 2.625 1.00 0.00 N ATOM 2274 CA GLU A 140 -10.738 11.408 3.634 1.00 0.00 C ATOM 2275 C GLU A 140 -11.862 10.467 3.999 1.00 0.00 C ATOM 2276 O GLU A 140 -12.252 10.358 5.161 1.00 0.00 O ATOM 2277 CB GLU A 140 -11.351 12.682 3.090 1.00 0.00 C ATOM 2278 CG GLU A 140 -10.252 13.707 2.851 1.00 0.00 C ATOM 2279 CD GLU A 140 -9.855 14.372 4.165 1.00 0.00 C ATOM 2280 OE1 GLU A 140 -9.272 13.695 4.996 1.00 0.00 O ATOM 2281 OE2 GLU A 140 -10.139 15.547 4.321 1.00 0.00 O ATOM 0 H GLU A 140 -10.171 10.987 1.664 1.00 0.00 H new ATOM 0 HA GLU A 140 -10.137 11.607 4.521 1.00 0.00 H new ATOM 0 HB2 GLU A 140 -11.880 12.476 2.160 1.00 0.00 H new ATOM 0 HB3 GLU A 140 -12.084 13.076 3.794 1.00 0.00 H new ATOM 0 HG2 GLU A 140 -9.384 13.222 2.404 1.00 0.00 H new ATOM 0 HG3 GLU A 140 -10.596 14.461 2.143 1.00 0.00 H new ATOM 2288 N ALA A 141 -12.397 9.819 2.990 1.00 0.00 N ATOM 2289 CA ALA A 141 -13.505 8.915 3.193 1.00 0.00 C ATOM 2290 C ALA A 141 -13.168 7.871 4.243 1.00 0.00 C ATOM 2291 O ALA A 141 -14.067 7.329 4.886 1.00 0.00 O ATOM 2292 CB ALA A 141 -13.904 8.256 1.877 1.00 0.00 C ATOM 0 H ALA A 141 -12.084 9.901 2.023 1.00 0.00 H new ATOM 0 HA ALA A 141 -14.355 9.492 3.558 1.00 0.00 H new ATOM 0 HB1 ALA A 141 -14.740 7.578 2.048 1.00 0.00 H new ATOM 0 HB2 ALA A 141 -14.199 9.023 1.161 1.00 0.00 H new ATOM 0 HB3 ALA A 141 -13.058 7.695 1.480 1.00 0.00 H new ATOM 2298 N GLY A 142 -11.880 7.602 4.455 1.00 0.00 N ATOM 2299 CA GLY A 142 -11.526 6.632 5.486 1.00 0.00 C ATOM 2300 C GLY A 142 -10.145 6.010 5.307 1.00 0.00 C ATOM 2301 O GLY A 142 -9.683 5.290 6.191 1.00 0.00 O ATOM 0 H GLY A 142 -11.098 8.021 3.952 1.00 0.00 H new ATOM 0 HA2 GLY A 142 -11.569 7.120 6.460 1.00 0.00 H new ATOM 0 HA3 GLY A 142 -12.272 5.838 5.494 1.00 0.00 H new ATOM 2305 N ALA A 143 -9.473 6.266 4.189 1.00 0.00 N ATOM 2306 CA ALA A 143 -8.150 5.676 4.007 1.00 0.00 C ATOM 2307 C ALA A 143 -7.071 6.581 4.585 1.00 0.00 C ATOM 2308 O ALA A 143 -6.890 7.709 4.128 1.00 0.00 O ATOM 2309 CB ALA A 143 -7.863 5.428 2.525 1.00 0.00 C ATOM 0 H ALA A 143 -9.804 6.853 3.423 1.00 0.00 H new ATOM 0 HA ALA A 143 -8.139 4.723 4.536 1.00 0.00 H new ATOM 0 HB1 ALA A 143 -6.872 4.988 2.415 1.00 0.00 H new ATOM 0 HB2 ALA A 143 -8.610 4.746 2.119 1.00 0.00 H new ATOM 0 HB3 ALA A 143 -7.903 6.373 1.984 1.00 0.00 H new ATOM 2315 N LYS A 144 -6.351 6.084 5.589 1.00 0.00 N ATOM 2316 CA LYS A 144 -5.294 6.860 6.194 1.00 0.00 C ATOM 2317 C LYS A 144 -4.024 6.736 5.378 1.00 0.00 C ATOM 2318 O LYS A 144 -3.386 5.685 5.339 1.00 0.00 O ATOM 2319 CB LYS A 144 -5.047 6.379 7.607 1.00 0.00 C ATOM 2320 CG LYS A 144 -6.292 6.651 8.453 1.00 0.00 C ATOM 2321 CD LYS A 144 -7.223 5.431 8.441 1.00 0.00 C ATOM 2322 CE LYS A 144 -6.926 4.537 9.648 1.00 0.00 C ATOM 2323 NZ LYS A 144 -7.328 5.241 10.899 1.00 0.00 N ATOM 0 H LYS A 144 -6.485 5.156 5.991 1.00 0.00 H new ATOM 0 HA LYS A 144 -5.595 7.907 6.221 1.00 0.00 H new ATOM 0 HB2 LYS A 144 -4.818 5.313 7.607 1.00 0.00 H new ATOM 0 HB3 LYS A 144 -4.184 6.891 8.033 1.00 0.00 H new ATOM 0 HG2 LYS A 144 -6.000 6.884 9.477 1.00 0.00 H new ATOM 0 HG3 LYS A 144 -6.819 7.523 8.066 1.00 0.00 H new ATOM 0 HD2 LYS A 144 -8.263 5.756 8.465 1.00 0.00 H new ATOM 0 HD3 LYS A 144 -7.087 4.868 7.518 1.00 0.00 H new ATOM 0 HE2 LYS A 144 -7.467 3.595 9.558 1.00 0.00 H new ATOM 0 HE3 LYS A 144 -5.864 4.293 9.681 1.00 0.00 H new ATOM 0 HZ1 LYS A 144 -7.614 4.542 11.614 1.00 0.00 H new ATOM 0 HZ2 LYS A 144 -6.525 5.795 11.259 1.00 0.00 H new ATOM 0 HZ3 LYS A 144 -8.126 5.877 10.698 1.00 0.00 H new ATOM 2337 N ILE A 145 -3.681 7.823 4.721 1.00 0.00 N ATOM 2338 CA ILE A 145 -2.496 7.862 3.881 1.00 0.00 C ATOM 2339 C ILE A 145 -1.310 8.405 4.669 1.00 0.00 C ATOM 2340 O ILE A 145 -1.460 9.309 5.490 1.00 0.00 O ATOM 2341 CB ILE A 145 -2.751 8.759 2.667 1.00 0.00 C ATOM 2342 CG1 ILE A 145 -4.213 8.663 2.223 1.00 0.00 C ATOM 2343 CG2 ILE A 145 -1.856 8.329 1.511 1.00 0.00 C ATOM 2344 CD1 ILE A 145 -4.657 7.196 2.149 1.00 0.00 C ATOM 0 H ILE A 145 -4.206 8.697 4.751 1.00 0.00 H new ATOM 0 HA ILE A 145 -2.270 6.849 3.547 1.00 0.00 H new ATOM 0 HB ILE A 145 -2.529 9.788 2.950 1.00 0.00 H new ATOM 0 HG12 ILE A 145 -4.848 9.206 2.923 1.00 0.00 H new ATOM 0 HG13 ILE A 145 -4.335 9.136 1.248 1.00 0.00 H new ATOM 0 HG21 ILE A 145 -2.041 8.970 0.649 1.00 0.00 H new ATOM 0 HG22 ILE A 145 -0.811 8.414 1.809 1.00 0.00 H new ATOM 0 HG23 ILE A 145 -2.075 7.294 1.247 1.00 0.00 H new ATOM 0 HD11 ILE A 145 -5.699 7.147 1.832 1.00 0.00 H new ATOM 0 HD12 ILE A 145 -4.034 6.663 1.431 1.00 0.00 H new ATOM 0 HD13 ILE A 145 -4.555 6.735 3.131 1.00 0.00 H new ATOM 2356 N SER A 146 -0.130 7.847 4.416 1.00 0.00 N ATOM 2357 CA SER A 146 1.072 8.285 5.111 1.00 0.00 C ATOM 2358 C SER A 146 2.220 8.498 4.131 1.00 0.00 C ATOM 2359 O SER A 146 2.465 7.677 3.247 1.00 0.00 O ATOM 2360 CB SER A 146 1.463 7.237 6.160 1.00 0.00 C ATOM 2361 OG SER A 146 0.714 6.051 5.935 1.00 0.00 O ATOM 0 H SER A 146 0.018 7.097 3.741 1.00 0.00 H new ATOM 0 HA SER A 146 0.866 9.236 5.602 1.00 0.00 H new ATOM 0 HB2 SER A 146 2.530 7.025 6.099 1.00 0.00 H new ATOM 0 HB3 SER A 146 1.270 7.619 7.163 1.00 0.00 H new ATOM 0 HG SER A 146 0.817 5.771 5.001 1.00 0.00 H new ATOM 2367 N ILE A 147 2.927 9.604 4.314 1.00 0.00 N ATOM 2368 CA ILE A 147 4.062 9.931 3.471 1.00 0.00 C ATOM 2369 C ILE A 147 5.321 9.344 4.099 1.00 0.00 C ATOM 2370 O ILE A 147 5.824 9.853 5.101 1.00 0.00 O ATOM 2371 CB ILE A 147 4.215 11.458 3.335 1.00 0.00 C ATOM 2372 CG1 ILE A 147 2.965 12.149 2.695 1.00 0.00 C ATOM 2373 CG2 ILE A 147 5.456 11.776 2.478 1.00 0.00 C ATOM 2374 CD1 ILE A 147 1.824 11.179 2.354 1.00 0.00 C ATOM 0 H ILE A 147 2.731 10.291 5.042 1.00 0.00 H new ATOM 0 HA ILE A 147 3.905 9.513 2.477 1.00 0.00 H new ATOM 0 HB ILE A 147 4.322 11.854 4.345 1.00 0.00 H new ATOM 0 HG12 ILE A 147 2.590 12.908 3.382 1.00 0.00 H new ATOM 0 HG13 ILE A 147 3.273 12.666 1.786 1.00 0.00 H new ATOM 0 HG21 ILE A 147 5.564 12.856 2.382 1.00 0.00 H new ATOM 0 HG22 ILE A 147 6.344 11.363 2.957 1.00 0.00 H new ATOM 0 HG23 ILE A 147 5.338 11.333 1.489 1.00 0.00 H new ATOM 0 HD11 ILE A 147 0.994 11.733 1.915 1.00 0.00 H new ATOM 0 HD12 ILE A 147 2.180 10.434 1.642 1.00 0.00 H new ATOM 0 HD13 ILE A 147 1.487 10.680 3.263 1.00 0.00 H new ATOM 2386 N MET A 148 5.809 8.254 3.518 1.00 0.00 N ATOM 2387 CA MET A 148 6.992 7.583 4.040 1.00 0.00 C ATOM 2388 C MET A 148 8.253 8.415 3.819 1.00 0.00 C ATOM 2389 O MET A 148 8.835 8.406 2.734 1.00 0.00 O ATOM 2390 CB MET A 148 7.150 6.214 3.374 1.00 0.00 C ATOM 2391 CG MET A 148 7.988 5.296 4.266 1.00 0.00 C ATOM 2392 SD MET A 148 8.883 4.117 3.225 1.00 0.00 S ATOM 2393 CE MET A 148 7.433 3.259 2.566 1.00 0.00 C ATOM 0 H MET A 148 5.405 7.818 2.689 1.00 0.00 H new ATOM 0 HA MET A 148 6.858 7.456 5.114 1.00 0.00 H new ATOM 0 HB2 MET A 148 6.170 5.770 3.198 1.00 0.00 H new ATOM 0 HB3 MET A 148 7.628 6.326 2.401 1.00 0.00 H new ATOM 0 HG2 MET A 148 8.690 5.884 4.857 1.00 0.00 H new ATOM 0 HG3 MET A 148 7.346 4.765 4.969 1.00 0.00 H new ATOM 0 HE1 MET A 148 7.756 2.438 1.926 1.00 0.00 H new ATOM 0 HE2 MET A 148 6.838 2.865 3.390 1.00 0.00 H new ATOM 0 HE3 MET A 148 6.830 3.957 1.985 1.00 0.00 H new ATOM 2403 N THR A 149 8.673 9.123 4.865 1.00 0.00 N ATOM 2404 CA THR A 149 9.873 9.951 4.792 1.00 0.00 C ATOM 2405 C THR A 149 11.075 9.184 5.345 1.00 0.00 C ATOM 2406 O THR A 149 10.940 8.047 5.794 1.00 0.00 O ATOM 2407 CB THR A 149 9.663 11.244 5.598 1.00 0.00 C ATOM 2408 OG1 THR A 149 8.722 11.002 6.635 1.00 0.00 O ATOM 2409 CG2 THR A 149 9.139 12.357 4.684 1.00 0.00 C ATOM 0 H THR A 149 8.202 9.140 5.770 1.00 0.00 H new ATOM 0 HA THR A 149 10.065 10.205 3.750 1.00 0.00 H new ATOM 0 HB THR A 149 10.615 11.557 6.027 1.00 0.00 H new ATOM 0 HG1 THR A 149 9.067 10.308 7.234 1.00 0.00 H new ATOM 0 HG21 THR A 149 8.994 13.267 5.266 1.00 0.00 H new ATOM 0 HG22 THR A 149 9.861 12.545 3.889 1.00 0.00 H new ATOM 0 HG23 THR A 149 8.189 12.051 4.246 1.00 0.00 H new ATOM 2417 N TYR A 150 12.248 9.810 5.299 1.00 0.00 N ATOM 2418 CA TYR A 150 13.467 9.178 5.790 1.00 0.00 C ATOM 2419 C TYR A 150 13.183 8.280 6.997 1.00 0.00 C ATOM 2420 O TYR A 150 13.425 7.074 6.951 1.00 0.00 O ATOM 2421 CB TYR A 150 14.502 10.254 6.150 1.00 0.00 C ATOM 2422 CG TYR A 150 14.206 10.831 7.512 1.00 0.00 C ATOM 2423 CD1 TYR A 150 13.270 11.862 7.643 1.00 0.00 C ATOM 2424 CD2 TYR A 150 14.869 10.337 8.639 1.00 0.00 C ATOM 2425 CE1 TYR A 150 12.993 12.399 8.906 1.00 0.00 C ATOM 2426 CE2 TYR A 150 14.595 10.873 9.903 1.00 0.00 C ATOM 2427 CZ TYR A 150 13.657 11.905 10.036 1.00 0.00 C ATOM 2428 OH TYR A 150 13.385 12.434 11.281 1.00 0.00 O ATOM 0 H TYR A 150 12.379 10.751 4.928 1.00 0.00 H new ATOM 0 HA TYR A 150 13.868 8.546 4.998 1.00 0.00 H new ATOM 0 HB2 TYR A 150 15.503 9.823 6.140 1.00 0.00 H new ATOM 0 HB3 TYR A 150 14.489 11.046 5.401 1.00 0.00 H new ATOM 0 HD1 TYR A 150 12.761 12.244 6.770 1.00 0.00 H new ATOM 0 HD2 TYR A 150 15.593 9.542 8.535 1.00 0.00 H new ATOM 0 HE1 TYR A 150 12.268 13.193 9.009 1.00 0.00 H new ATOM 0 HE2 TYR A 150 15.106 10.491 10.774 1.00 0.00 H new ATOM 0 HH TYR A 150 13.930 11.978 11.956 1.00 0.00 H new ATOM 2438 N SER A 151 12.674 8.869 8.075 1.00 0.00 N ATOM 2439 CA SER A 151 12.371 8.105 9.278 1.00 0.00 C ATOM 2440 C SER A 151 11.455 6.934 8.951 1.00 0.00 C ATOM 2441 O SER A 151 11.773 5.776 9.232 1.00 0.00 O ATOM 2442 CB SER A 151 11.697 9.005 10.314 1.00 0.00 C ATOM 2443 OG SER A 151 10.804 8.226 11.101 1.00 0.00 O ATOM 0 H SER A 151 12.464 9.865 8.139 1.00 0.00 H new ATOM 0 HA SER A 151 13.306 7.720 9.685 1.00 0.00 H new ATOM 0 HB2 SER A 151 12.448 9.473 10.951 1.00 0.00 H new ATOM 0 HB3 SER A 151 11.155 9.809 9.817 1.00 0.00 H new ATOM 0 HG SER A 151 10.371 8.799 11.768 1.00 0.00 H new ATOM 2449 N GLU A 152 10.319 7.247 8.352 1.00 0.00 N ATOM 2450 CA GLU A 152 9.355 6.224 7.982 1.00 0.00 C ATOM 2451 C GLU A 152 9.964 5.280 6.957 1.00 0.00 C ATOM 2452 O GLU A 152 9.440 4.194 6.708 1.00 0.00 O ATOM 2453 CB GLU A 152 8.098 6.874 7.406 1.00 0.00 C ATOM 2454 CG GLU A 152 7.227 7.401 8.548 1.00 0.00 C ATOM 2455 CD GLU A 152 8.044 8.330 9.440 1.00 0.00 C ATOM 2456 OE1 GLU A 152 8.706 9.203 8.906 1.00 0.00 O ATOM 2457 OE2 GLU A 152 7.995 8.154 10.647 1.00 0.00 O ATOM 0 H GLU A 152 10.042 8.199 8.112 1.00 0.00 H new ATOM 0 HA GLU A 152 9.086 5.656 8.872 1.00 0.00 H new ATOM 0 HB2 GLU A 152 8.372 7.690 6.737 1.00 0.00 H new ATOM 0 HB3 GLU A 152 7.540 6.149 6.813 1.00 0.00 H new ATOM 0 HG2 GLU A 152 6.367 7.935 8.144 1.00 0.00 H new ATOM 0 HG3 GLU A 152 6.839 6.568 9.135 1.00 0.00 H new ATOM 2464 N PHE A 153 11.080 5.698 6.371 1.00 0.00 N ATOM 2465 CA PHE A 153 11.755 4.876 5.384 1.00 0.00 C ATOM 2466 C PHE A 153 12.469 3.724 6.081 1.00 0.00 C ATOM 2467 O PHE A 153 12.005 2.585 6.054 1.00 0.00 O ATOM 2468 CB PHE A 153 12.762 5.733 4.601 1.00 0.00 C ATOM 2469 CG PHE A 153 12.838 5.260 3.169 1.00 0.00 C ATOM 2470 CD1 PHE A 153 11.734 5.410 2.322 1.00 0.00 C ATOM 2471 CD2 PHE A 153 14.010 4.667 2.692 1.00 0.00 C ATOM 2472 CE1 PHE A 153 11.803 4.967 0.997 1.00 0.00 C ATOM 2473 CE2 PHE A 153 14.082 4.224 1.367 1.00 0.00 C ATOM 2474 CZ PHE A 153 12.978 4.373 0.519 1.00 0.00 C ATOM 0 H PHE A 153 11.530 6.593 6.562 1.00 0.00 H new ATOM 0 HA PHE A 153 11.024 4.467 4.687 1.00 0.00 H new ATOM 0 HB2 PHE A 153 12.462 6.780 4.631 1.00 0.00 H new ATOM 0 HB3 PHE A 153 13.746 5.670 5.066 1.00 0.00 H new ATOM 0 HD1 PHE A 153 10.828 5.868 2.692 1.00 0.00 H new ATOM 0 HD2 PHE A 153 14.861 4.551 3.347 1.00 0.00 H new ATOM 0 HE1 PHE A 153 10.951 5.083 0.343 1.00 0.00 H new ATOM 0 HE2 PHE A 153 14.989 3.767 0.998 1.00 0.00 H new ATOM 0 HZ PHE A 153 13.032 4.030 -0.504 1.00 0.00 H new ATOM 2484 N LYS A 154 13.578 4.022 6.743 1.00 0.00 N ATOM 2485 CA LYS A 154 14.300 2.981 7.460 1.00 0.00 C ATOM 2486 C LYS A 154 13.311 2.173 8.288 1.00 0.00 C ATOM 2487 O LYS A 154 13.568 1.019 8.641 1.00 0.00 O ATOM 2488 CB LYS A 154 15.383 3.583 8.366 1.00 0.00 C ATOM 2489 CG LYS A 154 14.848 4.831 9.099 1.00 0.00 C ATOM 2490 CD LYS A 154 15.833 5.997 8.944 1.00 0.00 C ATOM 2491 CE LYS A 154 17.108 5.698 9.736 1.00 0.00 C ATOM 2492 NZ LYS A 154 18.211 6.577 9.252 1.00 0.00 N ATOM 0 H LYS A 154 13.990 4.953 6.799 1.00 0.00 H new ATOM 0 HA LYS A 154 14.795 2.332 6.738 1.00 0.00 H new ATOM 0 HB2 LYS A 154 15.710 2.840 9.093 1.00 0.00 H new ATOM 0 HB3 LYS A 154 16.255 3.851 7.770 1.00 0.00 H new ATOM 0 HG2 LYS A 154 13.875 5.111 8.695 1.00 0.00 H new ATOM 0 HG3 LYS A 154 14.701 4.607 10.156 1.00 0.00 H new ATOM 0 HD2 LYS A 154 16.073 6.147 7.891 1.00 0.00 H new ATOM 0 HD3 LYS A 154 15.378 6.921 9.302 1.00 0.00 H new ATOM 0 HE2 LYS A 154 16.936 5.864 10.799 1.00 0.00 H new ATOM 0 HE3 LYS A 154 17.385 4.650 9.618 1.00 0.00 H new ATOM 0 HZ1 LYS A 154 19.081 6.017 9.148 1.00 0.00 H new ATOM 0 HZ2 LYS A 154 17.951 6.986 8.332 1.00 0.00 H new ATOM 0 HZ3 LYS A 154 18.372 7.342 9.938 1.00 0.00 H new ATOM 2506 N HIS A 155 12.162 2.783 8.569 1.00 0.00 N ATOM 2507 CA HIS A 155 11.119 2.112 9.325 1.00 0.00 C ATOM 2508 C HIS A 155 10.374 1.166 8.401 1.00 0.00 C ATOM 2509 O HIS A 155 10.023 0.048 8.777 1.00 0.00 O ATOM 2510 CB HIS A 155 10.144 3.138 9.899 1.00 0.00 C ATOM 2511 CG HIS A 155 9.418 2.543 11.076 1.00 0.00 C ATOM 2512 ND1 HIS A 155 9.967 2.520 12.349 1.00 0.00 N ATOM 2513 CD2 HIS A 155 8.187 1.946 11.187 1.00 0.00 C ATOM 2514 CE1 HIS A 155 9.076 1.927 13.164 1.00 0.00 C ATOM 2515 NE2 HIS A 155 7.973 1.557 12.507 1.00 0.00 N ATOM 0 H HIS A 155 11.935 3.736 8.284 1.00 0.00 H new ATOM 0 HA HIS A 155 11.568 1.555 10.147 1.00 0.00 H new ATOM 0 HB2 HIS A 155 10.683 4.034 10.207 1.00 0.00 H new ATOM 0 HB3 HIS A 155 9.429 3.443 9.134 1.00 0.00 H new ATOM 0 HD2 HIS A 155 7.491 1.800 10.375 1.00 0.00 H new ATOM 0 HE1 HIS A 155 9.233 1.769 14.221 1.00 0.00 H new ATOM 0 HE2 HIS A 155 7.151 1.090 12.890 1.00 0.00 H new ATOM 2524 N CYS A 156 10.151 1.632 7.178 1.00 0.00 N ATOM 2525 CA CYS A 156 9.461 0.833 6.178 1.00 0.00 C ATOM 2526 C CYS A 156 10.225 -0.466 5.939 1.00 0.00 C ATOM 2527 O CYS A 156 9.649 -1.460 5.499 1.00 0.00 O ATOM 2528 CB CYS A 156 9.322 1.638 4.878 1.00 0.00 C ATOM 2529 SG CYS A 156 9.326 0.531 3.442 1.00 0.00 S ATOM 0 H CYS A 156 10.438 2.557 6.857 1.00 0.00 H new ATOM 0 HA CYS A 156 8.462 0.582 6.534 1.00 0.00 H new ATOM 0 HB2 CYS A 156 8.397 2.215 4.898 1.00 0.00 H new ATOM 0 HB3 CYS A 156 10.141 2.352 4.796 1.00 0.00 H new ATOM 0 HG CYS A 156 9.148 -0.694 3.838 1.00 0.00 H new ATOM 2535 N TRP A 157 11.517 -0.466 6.269 1.00 0.00 N ATOM 2536 CA TRP A 157 12.320 -1.662 6.123 1.00 0.00 C ATOM 2537 C TRP A 157 12.023 -2.547 7.317 1.00 0.00 C ATOM 2538 O TRP A 157 11.494 -3.650 7.199 1.00 0.00 O ATOM 2539 CB TRP A 157 13.815 -1.294 6.129 1.00 0.00 C ATOM 2540 CG TRP A 157 14.351 -1.212 4.736 1.00 0.00 C ATOM 2541 CD1 TRP A 157 15.251 -2.069 4.218 1.00 0.00 C ATOM 2542 CD2 TRP A 157 14.066 -0.238 3.692 1.00 0.00 C ATOM 2543 NE1 TRP A 157 15.528 -1.699 2.915 1.00 0.00 N ATOM 2544 CE2 TRP A 157 14.823 -0.578 2.547 1.00 0.00 C ATOM 2545 CE3 TRP A 157 13.231 0.888 3.623 1.00 0.00 C ATOM 2546 CZ2 TRP A 157 14.758 0.169 1.378 1.00 0.00 C ATOM 2547 CZ3 TRP A 157 13.162 1.647 2.444 1.00 0.00 C ATOM 2548 CH2 TRP A 157 13.925 1.286 1.323 1.00 0.00 C ATOM 0 H TRP A 157 12.018 0.344 6.635 1.00 0.00 H new ATOM 0 HA TRP A 157 12.088 -2.167 5.185 1.00 0.00 H new ATOM 0 HB2 TRP A 157 13.956 -0.338 6.634 1.00 0.00 H new ATOM 0 HB3 TRP A 157 14.375 -2.039 6.695 1.00 0.00 H new ATOM 0 HD1 TRP A 157 15.686 -2.910 4.737 1.00 0.00 H new ATOM 0 HE1 TRP A 157 16.175 -2.196 2.303 1.00 0.00 H new ATOM 0 HE3 TRP A 157 12.639 1.172 4.481 1.00 0.00 H new ATOM 0 HZ2 TRP A 157 15.348 -0.113 0.518 1.00 0.00 H new ATOM 0 HZ3 TRP A 157 12.518 2.513 2.400 1.00 0.00 H new ATOM 0 HH2 TRP A 157 13.867 1.873 0.418 1.00 0.00 H new ATOM 2559 N ASP A 158 12.362 -2.006 8.469 1.00 0.00 N ATOM 2560 CA ASP A 158 12.156 -2.663 9.744 1.00 0.00 C ATOM 2561 C ASP A 158 10.792 -3.349 9.817 1.00 0.00 C ATOM 2562 O ASP A 158 10.629 -4.360 10.501 1.00 0.00 O ATOM 2563 CB ASP A 158 12.251 -1.582 10.823 1.00 0.00 C ATOM 2564 CG ASP A 158 11.616 -2.040 12.135 1.00 0.00 C ATOM 2565 OD1 ASP A 158 10.446 -2.385 12.121 1.00 0.00 O ATOM 2566 OD2 ASP A 158 12.307 -2.023 13.137 1.00 0.00 O ATOM 0 H ASP A 158 12.794 -1.085 8.547 1.00 0.00 H new ATOM 0 HA ASP A 158 12.908 -3.440 9.883 1.00 0.00 H new ATOM 0 HB2 ASP A 158 13.297 -1.328 10.994 1.00 0.00 H new ATOM 0 HB3 ASP A 158 11.756 -0.675 10.475 1.00 0.00 H new ATOM 2571 N THR A 159 9.818 -2.772 9.137 1.00 0.00 N ATOM 2572 CA THR A 159 8.456 -3.301 9.152 1.00 0.00 C ATOM 2573 C THR A 159 8.357 -4.664 8.465 1.00 0.00 C ATOM 2574 O THR A 159 7.763 -5.595 9.008 1.00 0.00 O ATOM 2575 CB THR A 159 7.516 -2.306 8.459 1.00 0.00 C ATOM 2576 OG1 THR A 159 7.350 -1.164 9.286 1.00 0.00 O ATOM 2577 CG2 THR A 159 6.152 -2.959 8.209 1.00 0.00 C ATOM 0 H THR A 159 9.940 -1.936 8.565 1.00 0.00 H new ATOM 0 HA THR A 159 8.165 -3.438 10.193 1.00 0.00 H new ATOM 0 HB THR A 159 7.948 -2.010 7.503 1.00 0.00 H new ATOM 0 HG1 THR A 159 8.161 -0.615 9.252 1.00 0.00 H new ATOM 0 HG21 THR A 159 5.492 -2.245 7.717 1.00 0.00 H new ATOM 0 HG22 THR A 159 6.279 -3.835 7.572 1.00 0.00 H new ATOM 0 HG23 THR A 159 5.714 -3.262 9.160 1.00 0.00 H new ATOM 2585 N PHE A 160 8.916 -4.772 7.264 1.00 0.00 N ATOM 2586 CA PHE A 160 8.851 -6.026 6.508 1.00 0.00 C ATOM 2587 C PHE A 160 10.187 -6.777 6.562 1.00 0.00 C ATOM 2588 O PHE A 160 10.219 -8.007 6.540 1.00 0.00 O ATOM 2589 CB PHE A 160 8.450 -5.709 5.049 1.00 0.00 C ATOM 2590 CG PHE A 160 9.242 -6.545 4.065 1.00 0.00 C ATOM 2591 CD1 PHE A 160 9.110 -7.938 4.062 1.00 0.00 C ATOM 2592 CD2 PHE A 160 10.108 -5.920 3.161 1.00 0.00 C ATOM 2593 CE1 PHE A 160 9.845 -8.707 3.152 1.00 0.00 C ATOM 2594 CE2 PHE A 160 10.843 -6.689 2.251 1.00 0.00 C ATOM 2595 CZ PHE A 160 10.712 -8.083 2.246 1.00 0.00 C ATOM 0 H PHE A 160 9.415 -4.017 6.794 1.00 0.00 H new ATOM 0 HA PHE A 160 8.102 -6.678 6.957 1.00 0.00 H new ATOM 0 HB2 PHE A 160 7.385 -5.897 4.914 1.00 0.00 H new ATOM 0 HB3 PHE A 160 8.616 -4.651 4.846 1.00 0.00 H new ATOM 0 HD1 PHE A 160 8.442 -8.419 4.761 1.00 0.00 H new ATOM 0 HD2 PHE A 160 10.209 -4.845 3.165 1.00 0.00 H new ATOM 0 HE1 PHE A 160 9.743 -9.782 3.149 1.00 0.00 H new ATOM 0 HE2 PHE A 160 11.511 -6.207 1.553 1.00 0.00 H new ATOM 0 HZ PHE A 160 11.279 -8.677 1.544 1.00 0.00 H new ATOM 2605 N VAL A 161 11.279 -6.029 6.618 1.00 0.00 N ATOM 2606 CA VAL A 161 12.603 -6.616 6.655 1.00 0.00 C ATOM 2607 C VAL A 161 12.827 -7.401 7.943 1.00 0.00 C ATOM 2608 O VAL A 161 12.400 -6.983 9.020 1.00 0.00 O ATOM 2609 CB VAL A 161 13.622 -5.489 6.539 1.00 0.00 C ATOM 2610 CG1 VAL A 161 15.030 -6.052 6.651 1.00 0.00 C ATOM 2611 CG2 VAL A 161 13.447 -4.787 5.186 1.00 0.00 C ATOM 0 H VAL A 161 11.270 -5.009 6.639 1.00 0.00 H new ATOM 0 HA VAL A 161 12.712 -7.317 5.828 1.00 0.00 H new ATOM 0 HB VAL A 161 13.464 -4.771 7.344 1.00 0.00 H new ATOM 0 HG11 VAL A 161 15.754 -5.241 6.567 1.00 0.00 H new ATOM 0 HG12 VAL A 161 15.149 -6.546 7.615 1.00 0.00 H new ATOM 0 HG13 VAL A 161 15.198 -6.773 5.851 1.00 0.00 H new ATOM 0 HG21 VAL A 161 14.174 -3.980 5.098 1.00 0.00 H new ATOM 0 HG22 VAL A 161 13.603 -5.505 4.381 1.00 0.00 H new ATOM 0 HG23 VAL A 161 12.439 -4.377 5.116 1.00 0.00 H new ATOM 2621 N ASP A 162 13.501 -8.542 7.824 1.00 0.00 N ATOM 2622 CA ASP A 162 13.779 -9.378 8.986 1.00 0.00 C ATOM 2623 C ASP A 162 14.866 -8.747 9.840 1.00 0.00 C ATOM 2624 O ASP A 162 15.641 -9.439 10.502 1.00 0.00 O ATOM 2625 CB ASP A 162 14.217 -10.771 8.540 1.00 0.00 C ATOM 2626 CG ASP A 162 14.488 -11.647 9.758 1.00 0.00 C ATOM 2627 OD1 ASP A 162 13.538 -12.193 10.294 1.00 0.00 O ATOM 2628 OD2 ASP A 162 15.642 -11.758 10.138 1.00 0.00 O ATOM 0 H ASP A 162 13.862 -8.906 6.942 1.00 0.00 H new ATOM 0 HA ASP A 162 12.868 -9.464 9.578 1.00 0.00 H new ATOM 0 HB2 ASP A 162 13.443 -11.224 7.921 1.00 0.00 H new ATOM 0 HB3 ASP A 162 15.115 -10.700 7.926 1.00 0.00 H new ATOM 2633 N HIS A 163 14.904 -7.427 9.819 1.00 0.00 N ATOM 2634 CA HIS A 163 15.883 -6.676 10.592 1.00 0.00 C ATOM 2635 C HIS A 163 15.340 -5.291 10.909 1.00 0.00 C ATOM 2636 O HIS A 163 15.215 -4.441 10.027 1.00 0.00 O ATOM 2637 CB HIS A 163 17.190 -6.542 9.815 1.00 0.00 C ATOM 2638 CG HIS A 163 17.454 -7.807 9.049 1.00 0.00 C ATOM 2639 ND1 HIS A 163 17.804 -8.991 9.679 1.00 0.00 N ATOM 2640 CD2 HIS A 163 17.429 -8.091 7.705 1.00 0.00 C ATOM 2641 CE1 HIS A 163 17.973 -9.924 8.725 1.00 0.00 C ATOM 2642 NE2 HIS A 163 17.757 -9.429 7.503 1.00 0.00 N ATOM 0 H HIS A 163 14.266 -6.848 9.273 1.00 0.00 H new ATOM 0 HA HIS A 163 16.076 -7.214 11.520 1.00 0.00 H new ATOM 0 HB2 HIS A 163 17.132 -5.696 9.130 1.00 0.00 H new ATOM 0 HB3 HIS A 163 18.013 -6.342 10.501 1.00 0.00 H new ATOM 0 HD2 HIS A 163 17.191 -7.384 6.924 1.00 0.00 H new ATOM 0 HE1 HIS A 163 18.250 -10.949 8.923 1.00 0.00 H new ATOM 0 HE2 HIS A 163 17.819 -9.925 6.614 1.00 0.00 H new ATOM 2651 N GLN A 164 15.016 -5.078 12.171 1.00 0.00 N ATOM 2652 CA GLN A 164 14.481 -3.804 12.612 1.00 0.00 C ATOM 2653 C GLN A 164 15.535 -2.707 12.491 1.00 0.00 C ATOM 2654 O GLN A 164 15.353 -1.597 12.993 1.00 0.00 O ATOM 2655 CB GLN A 164 14.019 -3.921 14.066 1.00 0.00 C ATOM 2656 CG GLN A 164 12.687 -4.678 14.126 1.00 0.00 C ATOM 2657 CD GLN A 164 12.072 -4.533 15.513 1.00 0.00 C ATOM 2658 OE1 GLN A 164 11.800 -3.418 15.959 1.00 0.00 O ATOM 2659 NE2 GLN A 164 11.834 -5.599 16.226 1.00 0.00 N ATOM 0 H GLN A 164 15.115 -5.774 12.911 1.00 0.00 H new ATOM 0 HA GLN A 164 13.634 -3.540 11.978 1.00 0.00 H new ATOM 0 HB2 GLN A 164 14.772 -4.443 14.656 1.00 0.00 H new ATOM 0 HB3 GLN A 164 13.904 -2.929 14.502 1.00 0.00 H new ATOM 0 HG2 GLN A 164 12.003 -4.288 13.372 1.00 0.00 H new ATOM 0 HG3 GLN A 164 12.847 -5.732 13.897 1.00 0.00 H new ATOM 0 HE21 GLN A 164 12.060 -6.522 15.855 1.00 0.00 H new ATOM 0 HE22 GLN A 164 11.422 -5.510 17.155 1.00 0.00 H new ATOM 2668 N GLY A 165 16.639 -3.024 11.819 1.00 0.00 N ATOM 2669 CA GLY A 165 17.716 -2.058 11.636 1.00 0.00 C ATOM 2670 C GLY A 165 18.474 -2.326 10.341 1.00 0.00 C ATOM 2671 O GLY A 165 19.705 -2.329 10.317 1.00 0.00 O ATOM 0 H GLY A 165 16.810 -3.936 11.395 1.00 0.00 H new ATOM 0 HA2 GLY A 165 17.305 -1.048 11.619 1.00 0.00 H new ATOM 0 HA3 GLY A 165 18.403 -2.109 12.481 1.00 0.00 H new ATOM 2675 N CYS A 166 17.727 -2.548 9.268 1.00 0.00 N ATOM 2676 CA CYS A 166 18.328 -2.818 7.965 1.00 0.00 C ATOM 2677 C CYS A 166 19.493 -1.857 7.707 1.00 0.00 C ATOM 2678 O CYS A 166 19.494 -0.732 8.207 1.00 0.00 O ATOM 2679 CB CYS A 166 17.268 -2.664 6.872 1.00 0.00 C ATOM 2680 SG CYS A 166 17.089 -0.916 6.437 1.00 0.00 S ATOM 0 H CYS A 166 16.707 -2.547 9.272 1.00 0.00 H new ATOM 0 HA CYS A 166 18.712 -3.838 7.954 1.00 0.00 H new ATOM 0 HB2 CYS A 166 17.553 -3.240 5.992 1.00 0.00 H new ATOM 0 HB3 CYS A 166 16.314 -3.062 7.218 1.00 0.00 H new ATOM 0 HG CYS A 166 16.191 -0.790 5.505 1.00 0.00 H new ATOM 2686 N PRO A 167 20.481 -2.274 6.952 1.00 0.00 N ATOM 2687 CA PRO A 167 21.672 -1.423 6.646 1.00 0.00 C ATOM 2688 C PRO A 167 21.361 -0.276 5.681 1.00 0.00 C ATOM 2689 O PRO A 167 22.250 0.500 5.333 1.00 0.00 O ATOM 2690 CB PRO A 167 22.668 -2.404 6.024 1.00 0.00 C ATOM 2691 CG PRO A 167 21.832 -3.491 5.436 1.00 0.00 C ATOM 2692 CD PRO A 167 20.583 -3.598 6.308 1.00 0.00 C ATOM 0 HA PRO A 167 22.047 -0.927 7.541 1.00 0.00 H new ATOM 0 HB2 PRO A 167 23.275 -1.918 5.261 1.00 0.00 H new ATOM 0 HB3 PRO A 167 23.354 -2.797 6.774 1.00 0.00 H new ATOM 0 HG2 PRO A 167 21.566 -3.261 4.404 1.00 0.00 H new ATOM 0 HG3 PRO A 167 22.377 -4.435 5.422 1.00 0.00 H new ATOM 0 HD2 PRO A 167 19.698 -3.821 5.712 1.00 0.00 H new ATOM 0 HD3 PRO A 167 20.679 -4.394 7.046 1.00 0.00 H new ATOM 2700 N PHE A 168 20.106 -0.165 5.250 1.00 0.00 N ATOM 2701 CA PHE A 168 19.735 0.908 4.330 1.00 0.00 C ATOM 2702 C PHE A 168 19.881 2.261 5.015 1.00 0.00 C ATOM 2703 O PHE A 168 19.812 2.361 6.239 1.00 0.00 O ATOM 2704 CB PHE A 168 18.291 0.736 3.844 1.00 0.00 C ATOM 2705 CG PHE A 168 18.113 1.452 2.527 1.00 0.00 C ATOM 2706 CD1 PHE A 168 17.927 2.838 2.505 1.00 0.00 C ATOM 2707 CD2 PHE A 168 18.136 0.731 1.325 1.00 0.00 C ATOM 2708 CE1 PHE A 168 17.766 3.505 1.287 1.00 0.00 C ATOM 2709 CE2 PHE A 168 17.972 1.398 0.105 1.00 0.00 C ATOM 2710 CZ PHE A 168 17.789 2.787 0.087 1.00 0.00 C ATOM 0 H PHE A 168 19.344 -0.789 5.515 1.00 0.00 H new ATOM 0 HA PHE A 168 20.403 0.861 3.470 1.00 0.00 H new ATOM 0 HB2 PHE A 168 18.059 -0.323 3.728 1.00 0.00 H new ATOM 0 HB3 PHE A 168 17.597 1.136 4.584 1.00 0.00 H new ATOM 0 HD1 PHE A 168 17.908 3.394 3.431 1.00 0.00 H new ATOM 0 HD2 PHE A 168 18.280 -0.339 1.340 1.00 0.00 H new ATOM 0 HE1 PHE A 168 17.624 4.575 1.273 1.00 0.00 H new ATOM 0 HE2 PHE A 168 17.987 0.843 -0.821 1.00 0.00 H new ATOM 0 HZ PHE A 168 17.666 3.303 -0.854 1.00 0.00 H new ATOM 2720 N GLN A 169 20.087 3.299 4.213 1.00 0.00 N ATOM 2721 CA GLN A 169 20.248 4.649 4.743 1.00 0.00 C ATOM 2722 C GLN A 169 19.558 5.675 3.844 1.00 0.00 C ATOM 2723 O GLN A 169 19.296 5.412 2.671 1.00 0.00 O ATOM 2724 CB GLN A 169 21.738 4.973 4.877 1.00 0.00 C ATOM 2725 CG GLN A 169 22.175 4.754 6.324 1.00 0.00 C ATOM 2726 CD GLN A 169 23.689 4.613 6.405 1.00 0.00 C ATOM 2727 OE1 GLN A 169 24.371 4.619 5.381 1.00 0.00 O ATOM 2728 NE2 GLN A 169 24.258 4.486 7.572 1.00 0.00 N ATOM 0 H GLN A 169 20.146 3.233 3.197 1.00 0.00 H new ATOM 0 HA GLN A 169 19.779 4.697 5.726 1.00 0.00 H new ATOM 0 HB2 GLN A 169 22.321 4.339 4.209 1.00 0.00 H new ATOM 0 HB3 GLN A 169 21.925 6.005 4.581 1.00 0.00 H new ATOM 0 HG2 GLN A 169 21.848 5.591 6.940 1.00 0.00 H new ATOM 0 HG3 GLN A 169 21.698 3.859 6.723 1.00 0.00 H new ATOM 0 HE21 GLN A 169 23.689 4.481 8.419 1.00 0.00 H new ATOM 0 HE22 GLN A 169 25.271 4.391 7.638 1.00 0.00 H new ATOM 2737 N PRO A 170 19.251 6.832 4.381 1.00 0.00 N ATOM 2738 CA PRO A 170 18.565 7.920 3.630 1.00 0.00 C ATOM 2739 C PRO A 170 19.525 8.715 2.745 1.00 0.00 C ATOM 2740 O PRO A 170 20.627 9.064 3.169 1.00 0.00 O ATOM 2741 CB PRO A 170 18.009 8.794 4.751 1.00 0.00 C ATOM 2742 CG PRO A 170 19.000 8.665 5.852 1.00 0.00 C ATOM 2743 CD PRO A 170 19.526 7.238 5.773 1.00 0.00 C ATOM 0 HA PRO A 170 17.809 7.542 2.942 1.00 0.00 H new ATOM 0 HB2 PRO A 170 17.904 9.831 4.431 1.00 0.00 H new ATOM 0 HB3 PRO A 170 17.021 8.456 5.065 1.00 0.00 H new ATOM 0 HG2 PRO A 170 19.809 9.387 5.736 1.00 0.00 H new ATOM 0 HG3 PRO A 170 18.537 8.858 6.820 1.00 0.00 H new ATOM 0 HD2 PRO A 170 20.591 7.192 5.999 1.00 0.00 H new ATOM 0 HD3 PRO A 170 19.021 6.586 6.486 1.00 0.00 H new ATOM 2751 N TRP A 171 19.098 8.998 1.518 1.00 0.00 N ATOM 2752 CA TRP A 171 19.923 9.753 0.581 1.00 0.00 C ATOM 2753 C TRP A 171 19.442 11.195 0.480 1.00 0.00 C ATOM 2754 O TRP A 171 18.267 11.484 0.716 1.00 0.00 O ATOM 2755 CB TRP A 171 19.847 9.109 -0.800 1.00 0.00 C ATOM 2756 CG TRP A 171 18.437 9.160 -1.286 1.00 0.00 C ATOM 2757 CD1 TRP A 171 17.960 9.990 -2.243 1.00 0.00 C ATOM 2758 CD2 TRP A 171 17.315 8.360 -0.844 1.00 0.00 C ATOM 2759 NE1 TRP A 171 16.604 9.745 -2.407 1.00 0.00 N ATOM 2760 CE2 TRP A 171 16.166 8.742 -1.571 1.00 0.00 C ATOM 2761 CE3 TRP A 171 17.189 7.348 0.110 1.00 0.00 C ATOM 2762 CZ2 TRP A 171 14.935 8.129 -1.353 1.00 0.00 C ATOM 2763 CZ3 TRP A 171 15.960 6.733 0.334 1.00 0.00 C ATOM 2764 CH2 TRP A 171 14.834 7.119 -0.393 1.00 0.00 C ATOM 0 H TRP A 171 18.189 8.717 1.150 1.00 0.00 H new ATOM 0 HA TRP A 171 20.951 9.745 0.944 1.00 0.00 H new ATOM 0 HB2 TRP A 171 20.503 9.632 -1.495 1.00 0.00 H new ATOM 0 HB3 TRP A 171 20.191 8.076 -0.753 1.00 0.00 H new ATOM 0 HD1 TRP A 171 18.538 10.721 -2.788 1.00 0.00 H new ATOM 0 HE1 TRP A 171 16.006 10.245 -3.065 1.00 0.00 H new ATOM 0 HE3 TRP A 171 18.053 7.039 0.680 1.00 0.00 H new ATOM 0 HZ2 TRP A 171 14.067 8.431 -1.920 1.00 0.00 H new ATOM 0 HZ3 TRP A 171 15.878 5.952 1.075 1.00 0.00 H new ATOM 0 HH2 TRP A 171 13.884 6.637 -0.214 1.00 0.00 H new ATOM 2775 N ASP A 172 20.350 12.095 0.111 1.00 0.00 N ATOM 2776 CA ASP A 172 19.995 13.502 -0.035 1.00 0.00 C ATOM 2777 C ASP A 172 19.059 13.679 -1.219 1.00 0.00 C ATOM 2778 O ASP A 172 19.400 14.307 -2.220 1.00 0.00 O ATOM 2779 CB ASP A 172 21.246 14.347 -0.235 1.00 0.00 C ATOM 2780 CG ASP A 172 22.280 13.572 -1.044 1.00 0.00 C ATOM 2781 OD1 ASP A 172 22.163 13.557 -2.259 1.00 0.00 O ATOM 2782 OD2 ASP A 172 23.174 13.004 -0.438 1.00 0.00 O ATOM 0 H ASP A 172 21.326 11.878 -0.090 1.00 0.00 H new ATOM 0 HA ASP A 172 19.491 13.831 0.874 1.00 0.00 H new ATOM 0 HB2 ASP A 172 20.990 15.273 -0.750 1.00 0.00 H new ATOM 0 HB3 ASP A 172 21.664 14.625 0.732 1.00 0.00 H new ATOM 2787 N GLY A 173 17.879 13.114 -1.076 1.00 0.00 N ATOM 2788 CA GLY A 173 16.857 13.185 -2.110 1.00 0.00 C ATOM 2789 C GLY A 173 15.483 13.019 -1.484 1.00 0.00 C ATOM 2790 O GLY A 173 14.524 13.679 -1.883 1.00 0.00 O ATOM 0 H GLY A 173 17.597 12.594 -0.245 1.00 0.00 H new ATOM 0 HA2 GLY A 173 16.917 14.141 -2.629 1.00 0.00 H new ATOM 0 HA3 GLY A 173 17.025 12.407 -2.854 1.00 0.00 H new ATOM 2794 N LEU A 174 15.397 12.140 -0.485 1.00 0.00 N ATOM 2795 CA LEU A 174 14.148 11.907 0.206 1.00 0.00 C ATOM 2796 C LEU A 174 13.391 13.216 0.356 1.00 0.00 C ATOM 2797 O LEU A 174 12.164 13.246 0.448 1.00 0.00 O ATOM 2798 CB LEU A 174 14.445 11.349 1.584 1.00 0.00 C ATOM 2799 CG LEU A 174 14.751 9.860 1.465 1.00 0.00 C ATOM 2800 CD1 LEU A 174 15.452 9.394 2.729 1.00 0.00 C ATOM 2801 CD2 LEU A 174 13.457 9.064 1.275 1.00 0.00 C ATOM 0 H LEU A 174 16.181 11.583 -0.144 1.00 0.00 H new ATOM 0 HA LEU A 174 13.543 11.202 -0.365 1.00 0.00 H new ATOM 0 HB2 LEU A 174 15.292 11.873 2.027 1.00 0.00 H new ATOM 0 HB3 LEU A 174 13.592 11.506 2.245 1.00 0.00 H new ATOM 0 HG LEU A 174 15.394 9.695 0.600 1.00 0.00 H new ATOM 0 HD11 LEU A 174 15.674 8.330 2.651 1.00 0.00 H new ATOM 0 HD12 LEU A 174 16.381 9.950 2.856 1.00 0.00 H new ATOM 0 HD13 LEU A 174 14.805 9.567 3.589 1.00 0.00 H new ATOM 0 HD21 LEU A 174 13.692 8.003 1.192 1.00 0.00 H new ATOM 0 HD22 LEU A 174 12.802 9.225 2.131 1.00 0.00 H new ATOM 0 HD23 LEU A 174 12.955 9.397 0.367 1.00 0.00 H new ATOM 2813 N ASP A 175 14.159 14.293 0.383 1.00 0.00 N ATOM 2814 CA ASP A 175 13.613 15.631 0.526 1.00 0.00 C ATOM 2815 C ASP A 175 12.688 15.949 -0.632 1.00 0.00 C ATOM 2816 O ASP A 175 11.479 16.101 -0.464 1.00 0.00 O ATOM 2817 CB ASP A 175 14.762 16.637 0.535 1.00 0.00 C ATOM 2818 CG ASP A 175 15.759 16.295 -0.566 1.00 0.00 C ATOM 2819 OD1 ASP A 175 16.479 15.323 -0.405 1.00 0.00 O ATOM 2820 OD2 ASP A 175 15.787 17.009 -1.556 1.00 0.00 O ATOM 0 H ASP A 175 15.176 14.264 0.307 1.00 0.00 H new ATOM 0 HA ASP A 175 13.050 15.688 1.457 1.00 0.00 H new ATOM 0 HB2 ASP A 175 14.375 17.645 0.387 1.00 0.00 H new ATOM 0 HB3 ASP A 175 15.260 16.625 1.505 1.00 0.00 H new ATOM 2825 N GLU A 176 13.280 16.043 -1.809 1.00 0.00 N ATOM 2826 CA GLU A 176 12.529 16.341 -3.016 1.00 0.00 C ATOM 2827 C GLU A 176 11.328 15.416 -3.128 1.00 0.00 C ATOM 2828 O GLU A 176 10.218 15.850 -3.436 1.00 0.00 O ATOM 2829 CB GLU A 176 13.423 16.165 -4.230 1.00 0.00 C ATOM 2830 CG GLU A 176 12.833 16.932 -5.413 1.00 0.00 C ATOM 2831 CD GLU A 176 12.936 18.434 -5.167 1.00 0.00 C ATOM 2832 OE1 GLU A 176 14.048 18.915 -5.023 1.00 0.00 O ATOM 2833 OE2 GLU A 176 11.902 19.079 -5.126 1.00 0.00 O ATOM 0 H GLU A 176 14.282 15.917 -1.955 1.00 0.00 H new ATOM 0 HA GLU A 176 12.179 17.372 -2.969 1.00 0.00 H new ATOM 0 HB2 GLU A 176 14.427 16.529 -4.011 1.00 0.00 H new ATOM 0 HB3 GLU A 176 13.514 15.107 -4.478 1.00 0.00 H new ATOM 0 HG2 GLU A 176 13.363 16.668 -6.328 1.00 0.00 H new ATOM 0 HG3 GLU A 176 11.790 16.650 -5.556 1.00 0.00 H new ATOM 2840 N HIS A 177 11.565 14.139 -2.873 1.00 0.00 N ATOM 2841 CA HIS A 177 10.502 13.144 -2.941 1.00 0.00 C ATOM 2842 C HIS A 177 9.426 13.443 -1.901 1.00 0.00 C ATOM 2843 O HIS A 177 8.327 13.883 -2.237 1.00 0.00 O ATOM 2844 CB HIS A 177 11.076 11.747 -2.700 1.00 0.00 C ATOM 2845 CG HIS A 177 12.076 11.425 -3.776 1.00 0.00 C ATOM 2846 ND1 HIS A 177 13.397 11.116 -3.491 1.00 0.00 N ATOM 2847 CD2 HIS A 177 11.962 11.359 -5.142 1.00 0.00 C ATOM 2848 CE1 HIS A 177 14.020 10.882 -4.660 1.00 0.00 C ATOM 2849 NE2 HIS A 177 13.191 11.017 -5.699 1.00 0.00 N ATOM 0 H HIS A 177 12.480 13.766 -2.618 1.00 0.00 H new ATOM 0 HA HIS A 177 10.054 13.183 -3.934 1.00 0.00 H new ATOM 0 HB2 HIS A 177 11.552 11.702 -1.720 1.00 0.00 H new ATOM 0 HB3 HIS A 177 10.275 11.008 -2.700 1.00 0.00 H new ATOM 0 HD2 HIS A 177 11.056 11.544 -5.700 1.00 0.00 H new ATOM 0 HE1 HIS A 177 15.063 10.617 -4.748 1.00 0.00 H new ATOM 0 HE2 HIS A 177 13.411 10.896 -6.688 1.00 0.00 H new ATOM 2858 N SER A 178 9.754 13.206 -0.634 1.00 0.00 N ATOM 2859 CA SER A 178 8.812 13.457 0.450 1.00 0.00 C ATOM 2860 C SER A 178 8.081 14.775 0.230 1.00 0.00 C ATOM 2861 O SER A 178 6.860 14.804 0.081 1.00 0.00 O ATOM 2862 CB SER A 178 9.558 13.510 1.780 1.00 0.00 C ATOM 2863 OG SER A 178 8.695 14.042 2.777 1.00 0.00 O ATOM 0 H SER A 178 10.659 12.843 -0.335 1.00 0.00 H new ATOM 0 HA SER A 178 8.083 12.647 0.468 1.00 0.00 H new ATOM 0 HB2 SER A 178 9.891 12.512 2.064 1.00 0.00 H new ATOM 0 HB3 SER A 178 10.450 14.129 1.686 1.00 0.00 H new ATOM 0 HG SER A 178 9.201 14.645 3.360 1.00 0.00 H new ATOM 2869 N GLN A 179 8.839 15.864 0.208 1.00 0.00 N ATOM 2870 CA GLN A 179 8.263 17.188 0.004 1.00 0.00 C ATOM 2871 C GLN A 179 7.125 17.128 -1.001 1.00 0.00 C ATOM 2872 O GLN A 179 6.002 17.547 -0.722 1.00 0.00 O ATOM 2873 CB GLN A 179 9.336 18.137 -0.527 1.00 0.00 C ATOM 2874 CG GLN A 179 8.877 19.584 -0.343 1.00 0.00 C ATOM 2875 CD GLN A 179 9.725 20.514 -1.204 1.00 0.00 C ATOM 2876 OE1 GLN A 179 9.990 20.183 -2.439 1.00 0.00 O flip ATOM 2877 NE2 GLN A 179 10.158 21.569 -0.740 1.00 0.00 N flip ATOM 0 H GLN A 179 9.852 15.857 0.329 1.00 0.00 H new ATOM 0 HA GLN A 179 7.880 17.547 0.959 1.00 0.00 H new ATOM 0 HB2 GLN A 179 10.275 17.973 0.001 1.00 0.00 H new ATOM 0 HB3 GLN A 179 9.524 17.936 -1.582 1.00 0.00 H new ATOM 0 HG2 GLN A 179 7.826 19.678 -0.617 1.00 0.00 H new ATOM 0 HG3 GLN A 179 8.960 19.870 0.706 1.00 0.00 H new ATOM 0 HE21 GLN A 179 9.950 21.825 0.225 1.00 0.00 H new ATOM 0 HE22 GLN A 179 10.725 22.187 -1.321 1.00 0.00 H new ATOM 2886 N ASP A 180 7.443 16.618 -2.180 1.00 0.00 N ATOM 2887 CA ASP A 180 6.478 16.509 -3.256 1.00 0.00 C ATOM 2888 C ASP A 180 5.214 15.772 -2.812 1.00 0.00 C ATOM 2889 O ASP A 180 4.116 16.331 -2.863 1.00 0.00 O ATOM 2890 CB ASP A 180 7.135 15.779 -4.419 1.00 0.00 C ATOM 2891 CG ASP A 180 6.446 16.149 -5.729 1.00 0.00 C ATOM 2892 OD1 ASP A 180 5.344 15.674 -5.950 1.00 0.00 O ATOM 2893 OD2 ASP A 180 7.031 16.901 -6.491 1.00 0.00 O ATOM 0 H ASP A 180 8.373 16.270 -2.415 1.00 0.00 H new ATOM 0 HA ASP A 180 6.172 17.510 -3.560 1.00 0.00 H new ATOM 0 HB2 ASP A 180 8.193 16.038 -4.470 1.00 0.00 H new ATOM 0 HB3 ASP A 180 7.078 14.702 -4.261 1.00 0.00 H new ATOM 2898 N LEU A 181 5.364 14.521 -2.387 1.00 0.00 N ATOM 2899 CA LEU A 181 4.219 13.743 -1.956 1.00 0.00 C ATOM 2900 C LEU A 181 3.461 14.473 -0.858 1.00 0.00 C ATOM 2901 O LEU A 181 2.256 14.677 -0.950 1.00 0.00 O ATOM 2902 CB LEU A 181 4.697 12.396 -1.420 1.00 0.00 C ATOM 2903 CG LEU A 181 3.574 11.337 -1.411 1.00 0.00 C ATOM 2904 CD1 LEU A 181 3.857 10.324 -0.302 1.00 0.00 C ATOM 2905 CD2 LEU A 181 2.185 11.944 -1.136 1.00 0.00 C ATOM 0 H LEU A 181 6.258 14.033 -2.334 1.00 0.00 H new ATOM 0 HA LEU A 181 3.555 13.596 -2.808 1.00 0.00 H new ATOM 0 HB2 LEU A 181 5.526 12.038 -2.031 1.00 0.00 H new ATOM 0 HB3 LEU A 181 5.079 12.525 -0.408 1.00 0.00 H new ATOM 0 HG LEU A 181 3.562 10.878 -2.399 1.00 0.00 H new ATOM 0 HD11 LEU A 181 3.069 9.571 -0.287 1.00 0.00 H new ATOM 0 HD12 LEU A 181 4.817 9.841 -0.486 1.00 0.00 H new ATOM 0 HD13 LEU A 181 3.887 10.836 0.660 1.00 0.00 H new ATOM 0 HD21 LEU A 181 1.435 11.153 -1.141 1.00 0.00 H new ATOM 0 HD22 LEU A 181 2.188 12.434 -0.162 1.00 0.00 H new ATOM 0 HD23 LEU A 181 1.948 12.675 -1.909 1.00 0.00 H new ATOM 2917 N SER A 182 4.172 14.838 0.200 1.00 0.00 N ATOM 2918 CA SER A 182 3.544 15.518 1.318 1.00 0.00 C ATOM 2919 C SER A 182 2.830 16.784 0.860 1.00 0.00 C ATOM 2920 O SER A 182 1.607 16.847 0.855 1.00 0.00 O ATOM 2921 CB SER A 182 4.594 15.875 2.370 1.00 0.00 C ATOM 2922 OG SER A 182 5.221 17.100 2.015 1.00 0.00 O ATOM 0 H SER A 182 5.173 14.676 0.305 1.00 0.00 H new ATOM 0 HA SER A 182 2.806 14.843 1.752 1.00 0.00 H new ATOM 0 HB2 SER A 182 4.127 15.964 3.351 1.00 0.00 H new ATOM 0 HB3 SER A 182 5.337 15.081 2.442 1.00 0.00 H new ATOM 0 HG SER A 182 5.893 17.331 2.690 1.00 0.00 H new ATOM 2928 N GLY A 183 3.590 17.789 0.458 1.00 0.00 N ATOM 2929 CA GLY A 183 2.985 19.035 0.011 1.00 0.00 C ATOM 2930 C GLY A 183 1.725 18.753 -0.782 1.00 0.00 C ATOM 2931 O GLY A 183 0.770 19.526 -0.747 1.00 0.00 O ATOM 0 H GLY A 183 4.609 17.770 0.431 1.00 0.00 H new ATOM 0 HA2 GLY A 183 2.749 19.662 0.871 1.00 0.00 H new ATOM 0 HA3 GLY A 183 3.693 19.591 -0.604 1.00 0.00 H new ATOM 2935 N ARG A 184 1.724 17.628 -1.487 1.00 0.00 N ATOM 2936 CA ARG A 184 0.568 17.251 -2.268 1.00 0.00 C ATOM 2937 C ARG A 184 -0.521 16.666 -1.383 1.00 0.00 C ATOM 2938 O ARG A 184 -1.584 17.262 -1.245 1.00 0.00 O ATOM 2939 CB ARG A 184 0.945 16.239 -3.340 1.00 0.00 C ATOM 2940 CG ARG A 184 1.581 16.968 -4.527 1.00 0.00 C ATOM 2941 CD ARG A 184 0.500 17.350 -5.538 1.00 0.00 C ATOM 2942 NE ARG A 184 1.099 17.980 -6.709 1.00 0.00 N ATOM 2943 CZ ARG A 184 1.387 19.278 -6.718 1.00 0.00 C ATOM 2944 NH1 ARG A 184 1.140 20.009 -5.665 1.00 0.00 N ATOM 2945 NH2 ARG A 184 1.917 19.821 -7.779 1.00 0.00 N ATOM 0 H ARG A 184 2.504 16.972 -1.530 1.00 0.00 H new ATOM 0 HA ARG A 184 0.189 18.154 -2.746 1.00 0.00 H new ATOM 0 HB2 ARG A 184 1.642 15.505 -2.934 1.00 0.00 H new ATOM 0 HB3 ARG A 184 0.060 15.692 -3.667 1.00 0.00 H new ATOM 0 HG2 ARG A 184 2.101 17.862 -4.181 1.00 0.00 H new ATOM 0 HG3 ARG A 184 2.326 16.329 -5.001 1.00 0.00 H new ATOM 0 HD2 ARG A 184 -0.055 16.462 -5.839 1.00 0.00 H new ATOM 0 HD3 ARG A 184 -0.214 18.031 -5.076 1.00 0.00 H new ATOM 0 HE ARG A 184 1.300 17.416 -7.534 1.00 0.00 H new ATOM 0 HH11 ARG A 184 0.726 19.584 -4.835 1.00 0.00 H new ATOM 0 HH12 ARG A 184 1.361 21.005 -5.672 1.00 0.00 H new ATOM 0 HH21 ARG A 184 2.110 19.250 -8.602 1.00 0.00 H new ATOM 0 HH22 ARG A 184 2.138 20.817 -7.786 1.00 0.00 H new ATOM 2959 N LEU A 185 -0.248 15.500 -0.781 1.00 0.00 N ATOM 2960 CA LEU A 185 -1.232 14.856 0.087 1.00 0.00 C ATOM 2961 C LEU A 185 -1.970 15.922 0.863 1.00 0.00 C ATOM 2962 O LEU A 185 -3.195 15.938 0.938 1.00 0.00 O ATOM 2963 CB LEU A 185 -0.571 13.882 1.047 1.00 0.00 C ATOM 2964 CG LEU A 185 -1.665 13.051 1.753 1.00 0.00 C ATOM 2965 CD1 LEU A 185 -1.697 11.628 1.184 1.00 0.00 C ATOM 2966 CD2 LEU A 185 -1.388 13.000 3.260 1.00 0.00 C ATOM 0 H LEU A 185 0.632 14.994 -0.879 1.00 0.00 H new ATOM 0 HA LEU A 185 -1.928 14.290 -0.532 1.00 0.00 H new ATOM 0 HB2 LEU A 185 0.111 13.225 0.507 1.00 0.00 H new ATOM 0 HB3 LEU A 185 0.024 14.424 1.783 1.00 0.00 H new ATOM 0 HG LEU A 185 -2.632 13.523 1.581 1.00 0.00 H new ATOM 0 HD11 LEU A 185 -2.472 11.051 1.689 1.00 0.00 H new ATOM 0 HD12 LEU A 185 -1.912 11.668 0.116 1.00 0.00 H new ATOM 0 HD13 LEU A 185 -0.729 11.151 1.341 1.00 0.00 H new ATOM 0 HD21 LEU A 185 -2.163 12.413 3.753 1.00 0.00 H new ATOM 0 HD22 LEU A 185 -0.416 12.539 3.436 1.00 0.00 H new ATOM 0 HD23 LEU A 185 -1.388 14.012 3.664 1.00 0.00 H new ATOM 2978 N ARG A 186 -1.200 16.852 1.376 1.00 0.00 N ATOM 2979 CA ARG A 186 -1.750 17.984 2.072 1.00 0.00 C ATOM 2980 C ARG A 186 -2.707 18.664 1.151 1.00 0.00 C ATOM 2981 O ARG A 186 -3.906 18.710 1.367 1.00 0.00 O ATOM 2982 CB ARG A 186 -0.599 18.919 2.343 1.00 0.00 C ATOM 2983 CG ARG A 186 0.400 18.303 3.338 1.00 0.00 C ATOM 2984 CD ARG A 186 0.287 16.770 3.504 1.00 0.00 C ATOM 2985 NE ARG A 186 1.050 16.347 4.674 1.00 0.00 N ATOM 2986 CZ ARG A 186 0.529 16.415 5.893 1.00 0.00 C ATOM 2987 NH1 ARG A 186 -0.687 16.861 6.058 1.00 0.00 N ATOM 2988 NH2 ARG A 186 1.230 16.035 6.926 1.00 0.00 N ATOM 0 H ARG A 186 -0.181 16.843 1.322 1.00 0.00 H new ATOM 0 HA ARG A 186 -2.255 17.695 2.994 1.00 0.00 H new ATOM 0 HB2 ARG A 186 -0.088 19.151 1.408 1.00 0.00 H new ATOM 0 HB3 ARG A 186 -0.978 19.860 2.741 1.00 0.00 H new ATOM 0 HG2 ARG A 186 1.412 18.546 3.013 1.00 0.00 H new ATOM 0 HG3 ARG A 186 0.257 18.771 4.312 1.00 0.00 H new ATOM 0 HD2 ARG A 186 -0.758 16.482 3.615 1.00 0.00 H new ATOM 0 HD3 ARG A 186 0.662 16.269 2.612 1.00 0.00 H new ATOM 0 HE ARG A 186 1.999 15.993 4.553 1.00 0.00 H new ATOM 0 HH11 ARG A 186 -1.236 17.157 5.251 1.00 0.00 H new ATOM 0 HH12 ARG A 186 -1.088 16.914 6.994 1.00 0.00 H new ATOM 0 HH21 ARG A 186 2.179 15.685 6.797 1.00 0.00 H new ATOM 0 HH22 ARG A 186 0.828 16.088 7.862 1.00 0.00 H new ATOM 3002 N ALA A 187 -2.119 19.175 0.114 1.00 0.00 N ATOM 3003 CA ALA A 187 -2.849 19.891 -0.922 1.00 0.00 C ATOM 3004 C ALA A 187 -4.136 19.185 -1.327 1.00 0.00 C ATOM 3005 O ALA A 187 -5.229 19.716 -1.128 1.00 0.00 O ATOM 3006 CB ALA A 187 -1.982 20.024 -2.161 1.00 0.00 C ATOM 0 H ALA A 187 -1.114 19.114 -0.052 1.00 0.00 H new ATOM 0 HA ALA A 187 -3.104 20.866 -0.506 1.00 0.00 H new ATOM 0 HB1 ALA A 187 -2.532 20.560 -2.934 1.00 0.00 H new ATOM 0 HB2 ALA A 187 -1.075 20.575 -1.913 1.00 0.00 H new ATOM 0 HB3 ALA A 187 -1.716 19.032 -2.527 1.00 0.00 H new ATOM 3012 N ILE A 188 -4.009 18.011 -1.943 1.00 0.00 N ATOM 3013 CA ILE A 188 -5.185 17.301 -2.411 1.00 0.00 C ATOM 3014 C ILE A 188 -6.286 17.308 -1.351 1.00 0.00 C ATOM 3015 O ILE A 188 -7.459 17.492 -1.671 1.00 0.00 O ATOM 3016 CB ILE A 188 -4.863 15.851 -2.839 1.00 0.00 C ATOM 3017 CG1 ILE A 188 -3.903 15.183 -1.831 1.00 0.00 C ATOM 3018 CG2 ILE A 188 -4.221 15.842 -4.243 1.00 0.00 C ATOM 3019 CD1 ILE A 188 -4.683 14.362 -0.797 1.00 0.00 C ATOM 0 H ILE A 188 -3.121 17.544 -2.124 1.00 0.00 H new ATOM 0 HA ILE A 188 -5.541 17.832 -3.294 1.00 0.00 H new ATOM 0 HB ILE A 188 -5.796 15.289 -2.862 1.00 0.00 H new ATOM 0 HG12 ILE A 188 -3.203 14.537 -2.362 1.00 0.00 H new ATOM 0 HG13 ILE A 188 -3.312 15.946 -1.325 1.00 0.00 H new ATOM 0 HG21 ILE A 188 -3.998 14.816 -4.535 1.00 0.00 H new ATOM 0 HG22 ILE A 188 -4.912 16.282 -4.962 1.00 0.00 H new ATOM 0 HG23 ILE A 188 -3.299 16.422 -4.225 1.00 0.00 H new ATOM 0 HD11 ILE A 188 -3.986 13.901 -0.098 1.00 0.00 H new ATOM 0 HD12 ILE A 188 -5.364 15.016 -0.252 1.00 0.00 H new ATOM 0 HD13 ILE A 188 -5.254 13.585 -1.305 1.00 0.00 H new ATOM 3031 N LEU A 189 -5.905 17.117 -0.089 1.00 0.00 N ATOM 3032 CA LEU A 189 -6.875 17.114 1.003 1.00 0.00 C ATOM 3033 C LEU A 189 -7.303 18.549 1.310 1.00 0.00 C ATOM 3034 O LEU A 189 -8.482 18.896 1.245 1.00 0.00 O ATOM 3035 CB LEU A 189 -6.227 16.473 2.245 1.00 0.00 C ATOM 3036 CG LEU A 189 -7.015 15.241 2.704 1.00 0.00 C ATOM 3037 CD1 LEU A 189 -6.673 14.052 1.813 1.00 0.00 C ATOM 3038 CD2 LEU A 189 -6.622 14.902 4.139 1.00 0.00 C ATOM 0 H LEU A 189 -4.939 16.963 0.201 1.00 0.00 H new ATOM 0 HA LEU A 189 -7.756 16.539 0.719 1.00 0.00 H new ATOM 0 HB2 LEU A 189 -5.200 16.188 2.017 1.00 0.00 H new ATOM 0 HB3 LEU A 189 -6.183 17.203 3.054 1.00 0.00 H new ATOM 0 HG LEU A 189 -8.082 15.453 2.643 1.00 0.00 H new ATOM 0 HD11 LEU A 189 -7.235 13.178 2.142 1.00 0.00 H new ATOM 0 HD12 LEU A 189 -6.934 14.284 0.781 1.00 0.00 H new ATOM 0 HD13 LEU A 189 -5.605 13.843 1.879 1.00 0.00 H new ATOM 0 HD21 LEU A 189 -7.179 14.026 4.472 1.00 0.00 H new ATOM 0 HD22 LEU A 189 -5.554 14.691 4.183 1.00 0.00 H new ATOM 0 HD23 LEU A 189 -6.852 15.747 4.788 1.00 0.00 H new ATOM 3050 N GLN A 190 -6.313 19.369 1.635 1.00 0.00 N ATOM 3051 CA GLN A 190 -6.523 20.765 1.949 1.00 0.00 C ATOM 3052 C GLN A 190 -6.923 21.544 0.703 1.00 0.00 C ATOM 3053 O GLN A 190 -6.867 22.773 0.682 1.00 0.00 O ATOM 3054 CB GLN A 190 -5.230 21.334 2.547 1.00 0.00 C ATOM 3055 CG GLN A 190 -5.320 21.348 4.074 1.00 0.00 C ATOM 3056 CD GLN A 190 -4.132 22.098 4.663 1.00 0.00 C ATOM 3057 OE1 GLN A 190 -4.221 23.298 4.925 1.00 0.00 O ATOM 3058 NE2 GLN A 190 -3.017 21.460 4.890 1.00 0.00 N ATOM 0 H GLN A 190 -5.337 19.077 1.687 1.00 0.00 H new ATOM 0 HA GLN A 190 -7.334 20.858 2.671 1.00 0.00 H new ATOM 0 HB2 GLN A 190 -4.378 20.732 2.230 1.00 0.00 H new ATOM 0 HB3 GLN A 190 -5.062 22.345 2.175 1.00 0.00 H new ATOM 0 HG2 GLN A 190 -6.250 21.822 4.387 1.00 0.00 H new ATOM 0 HG3 GLN A 190 -5.340 20.327 4.454 1.00 0.00 H new ATOM 0 HE21 GLN A 190 -2.945 20.466 4.673 1.00 0.00 H new ATOM 0 HE22 GLN A 190 -2.217 21.955 5.285 1.00 0.00 H new ATOM 3067 N ASN A 191 -7.329 20.805 -0.318 1.00 0.00 N ATOM 3068 CA ASN A 191 -7.754 21.387 -1.588 1.00 0.00 C ATOM 3069 C ASN A 191 -7.114 22.759 -1.803 1.00 0.00 C ATOM 3070 O ASN A 191 -7.766 23.794 -1.659 1.00 0.00 O ATOM 3071 CB ASN A 191 -9.276 21.482 -1.596 1.00 0.00 C ATOM 3072 CG ASN A 191 -9.769 22.531 -2.579 1.00 0.00 C ATOM 3073 OD1 ASN A 191 -9.026 22.968 -3.459 1.00 0.00 O ATOM 3074 ND2 ASN A 191 -10.993 22.955 -2.484 1.00 0.00 N ATOM 0 H ASN A 191 -7.374 19.786 -0.293 1.00 0.00 H new ATOM 0 HA ASN A 191 -7.427 20.750 -2.410 1.00 0.00 H new ATOM 0 HB2 ASN A 191 -9.700 20.512 -1.856 1.00 0.00 H new ATOM 0 HB3 ASN A 191 -9.631 21.727 -0.595 1.00 0.00 H new ATOM 0 HD21 ASN A 191 -11.343 23.653 -3.140 1.00 0.00 H new ATOM 0 HD22 ASN A 191 -11.604 22.590 -1.753 1.00 0.00 H new ATOM 3081 N GLN A 192 -5.829 22.752 -2.138 1.00 0.00 N ATOM 3082 CA GLN A 192 -5.096 23.982 -2.361 1.00 0.00 C ATOM 3083 C GLN A 192 -5.691 24.763 -3.531 1.00 0.00 C ATOM 3084 O GLN A 192 -5.370 24.502 -4.690 1.00 0.00 O ATOM 3085 CB GLN A 192 -3.637 23.630 -2.651 1.00 0.00 C ATOM 3086 CG GLN A 192 -2.722 24.743 -2.146 1.00 0.00 C ATOM 3087 CD GLN A 192 -2.979 26.029 -2.925 1.00 0.00 C ATOM 3088 OE1 GLN A 192 -2.820 26.040 -4.220 1.00 0.00 O flip ATOM 3089 NE2 GLN A 192 -3.337 27.050 -2.338 1.00 0.00 N flip ATOM 0 H GLN A 192 -5.276 21.903 -2.260 1.00 0.00 H new ATOM 0 HA GLN A 192 -5.161 24.611 -1.473 1.00 0.00 H new ATOM 0 HB2 GLN A 192 -3.378 22.688 -2.168 1.00 0.00 H new ATOM 0 HB3 GLN A 192 -3.494 23.488 -3.722 1.00 0.00 H new ATOM 0 HG2 GLN A 192 -2.895 24.912 -1.083 1.00 0.00 H new ATOM 0 HG3 GLN A 192 -1.679 24.445 -2.256 1.00 0.00 H new ATOM 0 HE21 GLN A 192 -3.461 27.039 -1.326 1.00 0.00 H new ATOM 0 HE22 GLN A 192 -3.510 27.907 -2.864 1.00 0.00 H new ATOM 3098 N GLU A 193 -6.556 25.721 -3.217 1.00 0.00 N ATOM 3099 CA GLU A 193 -7.188 26.533 -4.248 1.00 0.00 C ATOM 3100 C GLU A 193 -6.147 27.059 -5.229 1.00 0.00 C ATOM 3101 O GLU A 193 -4.965 26.730 -5.132 1.00 0.00 O ATOM 3102 CB GLU A 193 -7.923 27.711 -3.606 1.00 0.00 C ATOM 3103 CG GLU A 193 -9.273 27.239 -3.067 1.00 0.00 C ATOM 3104 CD GLU A 193 -10.081 28.431 -2.566 1.00 0.00 C ATOM 3105 OE1 GLU A 193 -9.728 28.967 -1.529 1.00 0.00 O ATOM 3106 OE2 GLU A 193 -11.042 28.791 -3.227 1.00 0.00 O ATOM 0 H GLU A 193 -6.834 25.953 -2.263 1.00 0.00 H new ATOM 0 HA GLU A 193 -7.900 25.909 -4.789 1.00 0.00 H new ATOM 0 HB2 GLU A 193 -7.324 28.130 -2.798 1.00 0.00 H new ATOM 0 HB3 GLU A 193 -8.070 28.504 -4.339 1.00 0.00 H new ATOM 0 HG2 GLU A 193 -9.825 26.719 -3.850 1.00 0.00 H new ATOM 0 HG3 GLU A 193 -9.121 26.526 -2.257 1.00 0.00 H new ATOM 3113 N ASN A 194 -6.596 27.879 -6.173 1.00 0.00 N ATOM 3114 CA ASN A 194 -5.694 28.445 -7.168 1.00 0.00 C ATOM 3115 C ASN A 194 -4.380 28.873 -6.524 1.00 0.00 C ATOM 3116 O ASN A 194 -3.365 28.274 -6.838 1.00 0.00 O ATOM 3117 CB ASN A 194 -6.348 29.645 -7.841 1.00 0.00 C ATOM 3118 CG ASN A 194 -5.380 30.281 -8.832 1.00 0.00 C ATOM 3119 OD1 ASN A 194 -4.592 29.581 -9.468 1.00 0.00 O ATOM 3120 ND2 ASN A 194 -5.393 31.575 -9.004 1.00 0.00 N ATOM 3121 OXT ASN A 194 -4.408 29.795 -5.724 1.00 0.00 O ATOM 0 H ASN A 194 -7.570 28.164 -6.270 1.00 0.00 H new ATOM 0 HA ASN A 194 -5.484 27.679 -7.915 1.00 0.00 H new ATOM 0 HB2 ASN A 194 -7.256 29.332 -8.357 1.00 0.00 H new ATOM 0 HB3 ASN A 194 -6.644 30.377 -7.089 1.00 0.00 H new ATOM 0 HD21 ASN A 194 -4.749 32.008 -9.666 1.00 0.00 H new ATOM 0 HD22 ASN A 194 -6.047 32.153 -8.476 1.00 0.00 H new