USER MOD reduce.3.24.130724 H: found=0, std=0, add=822, rem=0, adj=16 USER MOD reduce.3.24.130724 removed 816 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 102 CYS SG : rot -22:sc= -0.45 USER MOD Set 1.2: A 105 CYS SG : rot 84:sc= 0.345 USER MOD Set 1.3: A 123 CYS SG : rot -163:sc= -0.239 USER MOD Set 1.4: A 126 CYS SG : rot 54:sc= -0.777 USER MOD Set 2.1: A 32 SER OG : rot 180:sc= -0.407 USER MOD Set 2.2: A 85 HIS : no HD1:sc= -0.976 K(o=-1.5,f=-8.1!) USER MOD Set 2.3: A 89 ASN : amide:sc= -0.0988 K(o=-1.5,f=-3.6!) USER MOD Single : A 31 TYR OH : rot 180:sc= 0 USER MOD Single : A 35 GLN : amide:sc= -0.762 K(o=-0.76,f=-4.7!) USER MOD Single : A 37 ASN : amide:sc= -0.322 X(o=-0.32,f=-0.56) USER MOD Single : A 39 THR OG1 : rot 142:sc= -0.405 USER MOD Single : A 42 GLN :FLIP amide:sc= 0.974 F(o=-0.46,f=0.97) USER MOD Single : A 43 ASN : amide:sc= -0.117 X(o=-0.12,f=-0.26) USER MOD Single : A 52 ASN : amide:sc= -2.03! C(o=-2!,f=-2!) USER MOD Single : A 56 GLN : amide:sc= -0.0245 X(o=-0.025,f=-0.1) USER MOD Single : A 57 HIS : no HD1:sc= 0 X(o=0,f=-0.044) USER MOD Single : A 60 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 68 THR OG1 : rot -79:sc= 0.248 USER MOD Single : A 71 ASN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 80 GLN : amide:sc= 0 K(o=0,f=-0.87) USER MOD Single : A 82 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 84 THR OG1 : rot -30:sc= 0.23 USER MOD Single : A 95 TYR OH : rot 180:sc= 0 USER MOD Single : A 97 ASN : amide:sc= -0.434 X(o=-0.43,f=-0.12) USER MOD Single : A 98 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 103 HIS : no HD1:sc= 0 X(o=0,f=0) USER MOD Single : A 106 ASN :FLIP amide:sc= -0.578 F(o=-2.1,f=-0.58) USER MOD Single : A 110 THR OG1 : rot -110:sc= -1.14 USER MOD Single : A 119 SER OG : rot 180:sc=-0.00184 USER MOD Single : A 122 LYS NZ :NH3+ -170:sc= -0.0257 (180deg=-0.224) USER MOD Single : A 129 LYS NZ :NH3+ 154:sc= -0.0139 (180deg=-0.854) USER MOD ----------------------------------------------------------------- ATOM 505 N TYR A 31 -7.823 -3.027 0.843 1.00 0.00 N ATOM 506 CA TYR A 31 -7.520 -1.911 1.732 1.00 0.00 C ATOM 507 C TYR A 31 -7.964 -2.218 3.165 1.00 0.00 C ATOM 508 O TYR A 31 -8.304 -3.358 3.485 1.00 0.00 O ATOM 509 CB TYR A 31 -8.195 -0.634 1.220 1.00 0.00 C ATOM 510 CG TYR A 31 -9.623 -0.823 0.741 1.00 0.00 C ATOM 511 CD1 TYR A 31 -10.399 -1.894 1.176 1.00 0.00 C ATOM 512 CD2 TYR A 31 -10.200 0.086 -0.139 1.00 0.00 C ATOM 513 CE1 TYR A 31 -11.702 -2.052 0.748 1.00 0.00 C ATOM 514 CE2 TYR A 31 -11.504 -0.070 -0.572 1.00 0.00 C ATOM 515 CZ TYR A 31 -12.248 -1.140 -0.125 1.00 0.00 C ATOM 516 OH TYR A 31 -13.546 -1.292 -0.552 1.00 0.00 O ATOM 0 HA TYR A 31 -6.441 -1.759 1.741 1.00 0.00 H new ATOM 0 HB2 TYR A 31 -8.188 0.109 2.017 1.00 0.00 H new ATOM 0 HB3 TYR A 31 -7.601 -0.228 0.401 1.00 0.00 H new ATOM 0 HD1 TYR A 31 -9.974 -2.614 1.860 1.00 0.00 H new ATOM 0 HD2 TYR A 31 -9.621 0.927 -0.490 1.00 0.00 H new ATOM 0 HE1 TYR A 31 -12.290 -2.888 1.097 1.00 0.00 H new ATOM 0 HE2 TYR A 31 -11.937 0.644 -1.257 1.00 0.00 H new ATOM 0 HH TYR A 31 -13.777 -0.562 -1.164 1.00 0.00 H new ATOM 526 N SER A 32 -7.958 -1.204 4.029 1.00 0.00 N ATOM 527 CA SER A 32 -8.357 -1.389 5.421 1.00 0.00 C ATOM 528 C SER A 32 -9.872 -1.536 5.548 1.00 0.00 C ATOM 529 O SER A 32 -10.616 -1.217 4.622 1.00 0.00 O ATOM 530 CB SER A 32 -7.872 -0.219 6.280 1.00 0.00 C ATOM 531 OG SER A 32 -8.068 1.020 5.620 1.00 0.00 O ATOM 0 H SER A 32 -7.683 -0.251 3.790 1.00 0.00 H new ATOM 0 HA SER A 32 -7.893 -2.308 5.778 1.00 0.00 H new ATOM 0 HB2 SER A 32 -8.407 -0.216 7.230 1.00 0.00 H new ATOM 0 HB3 SER A 32 -6.814 -0.348 6.510 1.00 0.00 H new ATOM 0 HG SER A 32 -7.751 1.749 6.193 1.00 0.00 H new ATOM 537 N VAL A 33 -10.320 -2.026 6.703 1.00 0.00 N ATOM 538 CA VAL A 33 -11.747 -2.219 6.950 1.00 0.00 C ATOM 539 C VAL A 33 -12.176 -1.549 8.254 1.00 0.00 C ATOM 540 O VAL A 33 -11.719 -1.921 9.334 1.00 0.00 O ATOM 541 CB VAL A 33 -12.143 -3.719 7.007 1.00 0.00 C ATOM 542 CG1 VAL A 33 -13.345 -3.983 6.115 1.00 0.00 C ATOM 543 CG2 VAL A 33 -10.987 -4.628 6.607 1.00 0.00 C ATOM 0 H VAL A 33 -9.717 -2.296 7.480 1.00 0.00 H new ATOM 0 HA VAL A 33 -12.262 -1.757 6.108 1.00 0.00 H new ATOM 0 HB VAL A 33 -12.403 -3.948 8.041 1.00 0.00 H new ATOM 0 HG11 VAL A 33 -13.611 -5.039 6.166 1.00 0.00 H new ATOM 0 HG12 VAL A 33 -14.188 -3.380 6.453 1.00 0.00 H new ATOM 0 HG13 VAL A 33 -13.099 -3.719 5.086 1.00 0.00 H new ATOM 0 HG21 VAL A 33 -11.307 -5.669 6.661 1.00 0.00 H new ATOM 0 HG22 VAL A 33 -10.677 -4.396 5.588 1.00 0.00 H new ATOM 0 HG23 VAL A 33 -10.149 -4.471 7.286 1.00 0.00 H new ATOM 553 N ILE A 34 -13.059 -0.561 8.142 1.00 0.00 N ATOM 554 CA ILE A 34 -13.554 0.161 9.305 1.00 0.00 C ATOM 555 C ILE A 34 -14.425 -0.735 10.182 1.00 0.00 C ATOM 556 O ILE A 34 -15.271 -1.477 9.683 1.00 0.00 O ATOM 557 CB ILE A 34 -14.363 1.405 8.880 1.00 0.00 C ATOM 558 CG1 ILE A 34 -14.891 2.153 10.116 1.00 0.00 C ATOM 559 CG2 ILE A 34 -15.492 1.016 7.926 1.00 0.00 C ATOM 560 CD1 ILE A 34 -16.203 1.627 10.659 1.00 0.00 C ATOM 0 H ILE A 34 -13.446 -0.243 7.254 1.00 0.00 H new ATOM 0 HA ILE A 34 -12.685 0.480 9.881 1.00 0.00 H new ATOM 0 HB ILE A 34 -13.703 2.085 8.342 1.00 0.00 H new ATOM 0 HG12 ILE A 34 -14.140 2.101 10.904 1.00 0.00 H new ATOM 0 HG13 ILE A 34 -15.014 3.206 9.862 1.00 0.00 H new ATOM 0 HG21 ILE A 34 -16.049 1.908 7.639 1.00 0.00 H new ATOM 0 HG22 ILE A 34 -15.071 0.549 7.036 1.00 0.00 H new ATOM 0 HG23 ILE A 34 -16.162 0.314 8.422 1.00 0.00 H new ATOM 0 HD11 ILE A 34 -16.498 2.214 11.529 1.00 0.00 H new ATOM 0 HD12 ILE A 34 -16.972 1.705 9.891 1.00 0.00 H new ATOM 0 HD13 ILE A 34 -16.084 0.583 10.949 1.00 0.00 H new ATOM 572 N GLN A 35 -14.214 -0.656 11.494 1.00 0.00 N ATOM 573 CA GLN A 35 -14.981 -1.453 12.444 1.00 0.00 C ATOM 574 C GLN A 35 -15.090 -0.732 13.784 1.00 0.00 C ATOM 575 O GLN A 35 -14.249 -0.911 14.661 1.00 0.00 O ATOM 576 CB GLN A 35 -14.319 -2.820 12.645 1.00 0.00 C ATOM 577 CG GLN A 35 -14.634 -3.825 11.548 1.00 0.00 C ATOM 578 CD GLN A 35 -16.043 -4.372 11.649 1.00 0.00 C ATOM 579 OE1 GLN A 35 -16.980 -3.646 11.983 1.00 0.00 O ATOM 580 NE2 GLN A 35 -16.201 -5.658 11.360 1.00 0.00 N ATOM 0 H GLN A 35 -13.517 -0.047 11.922 1.00 0.00 H new ATOM 0 HA GLN A 35 -15.983 -1.596 12.039 1.00 0.00 H new ATOM 0 HB2 GLN A 35 -13.239 -2.685 12.701 1.00 0.00 H new ATOM 0 HB3 GLN A 35 -14.639 -3.230 13.603 1.00 0.00 H new ATOM 0 HG2 GLN A 35 -14.501 -3.350 10.576 1.00 0.00 H new ATOM 0 HG3 GLN A 35 -13.923 -4.650 11.600 1.00 0.00 H new ATOM 0 HE21 GLN A 35 -15.396 -6.222 11.088 1.00 0.00 H new ATOM 0 HE22 GLN A 35 -17.127 -6.082 11.410 1.00 0.00 H new ATOM 589 N GLY A 36 -16.131 0.082 13.935 1.00 0.00 N ATOM 590 CA GLY A 36 -16.326 0.817 15.175 1.00 0.00 C ATOM 591 C GLY A 36 -15.263 1.875 15.398 1.00 0.00 C ATOM 592 O GLY A 36 -15.536 3.073 15.307 1.00 0.00 O ATOM 0 H GLY A 36 -16.843 0.246 13.223 1.00 0.00 H new ATOM 0 HA2 GLY A 36 -17.308 1.290 15.162 1.00 0.00 H new ATOM 0 HA3 GLY A 36 -16.320 0.119 16.012 1.00 0.00 H new ATOM 596 N ASN A 37 -14.049 1.427 15.691 1.00 0.00 N ATOM 597 CA ASN A 37 -12.926 2.327 15.930 1.00 0.00 C ATOM 598 C ASN A 37 -11.608 1.567 15.822 1.00 0.00 C ATOM 599 O ASN A 37 -10.622 1.914 16.473 1.00 0.00 O ATOM 600 CB ASN A 37 -13.048 2.973 17.314 1.00 0.00 C ATOM 601 CG ASN A 37 -12.620 4.428 17.316 1.00 0.00 C ATOM 602 OD1 ASN A 37 -11.440 4.741 17.154 1.00 0.00 O ATOM 603 ND2 ASN A 37 -13.580 5.326 17.505 1.00 0.00 N ATOM 0 H ASN A 37 -13.815 0.437 15.770 1.00 0.00 H new ATOM 0 HA ASN A 37 -12.943 3.112 15.174 1.00 0.00 H new ATOM 0 HB2 ASN A 37 -14.081 2.901 17.655 1.00 0.00 H new ATOM 0 HB3 ASN A 37 -12.438 2.417 18.026 1.00 0.00 H new ATOM 0 HD21 ASN A 37 -13.353 6.320 17.520 1.00 0.00 H new ATOM 0 HD22 ASN A 37 -14.545 5.021 17.635 1.00 0.00 H new ATOM 610 N ARG A 38 -11.606 0.517 15.005 1.00 0.00 N ATOM 611 CA ARG A 38 -10.419 -0.310 14.818 1.00 0.00 C ATOM 612 C ARG A 38 -10.205 -0.624 13.337 1.00 0.00 C ATOM 613 O ARG A 38 -11.164 -0.692 12.567 1.00 0.00 O ATOM 614 CB ARG A 38 -10.562 -1.616 15.614 1.00 0.00 C ATOM 615 CG ARG A 38 -11.307 -1.460 16.935 1.00 0.00 C ATOM 616 CD ARG A 38 -12.699 -2.069 16.878 1.00 0.00 C ATOM 617 NE ARG A 38 -13.122 -2.586 18.177 1.00 0.00 N ATOM 618 CZ ARG A 38 -13.699 -1.845 19.120 1.00 0.00 C ATOM 619 NH1 ARG A 38 -13.921 -0.549 18.922 1.00 0.00 N ATOM 620 NH2 ARG A 38 -14.051 -2.403 20.272 1.00 0.00 N ATOM 0 H ARG A 38 -12.416 0.219 14.461 1.00 0.00 H new ATOM 0 HA ARG A 38 -9.553 0.242 15.182 1.00 0.00 H new ATOM 0 HB2 ARG A 38 -11.084 -2.349 14.999 1.00 0.00 H new ATOM 0 HB3 ARG A 38 -9.569 -2.018 15.814 1.00 0.00 H new ATOM 0 HG2 ARG A 38 -10.735 -1.935 17.732 1.00 0.00 H new ATOM 0 HG3 ARG A 38 -11.384 -0.402 17.185 1.00 0.00 H new ATOM 0 HD2 ARG A 38 -13.411 -1.317 16.538 1.00 0.00 H new ATOM 0 HD3 ARG A 38 -12.713 -2.875 16.145 1.00 0.00 H new ATOM 0 HE ARG A 38 -12.966 -3.575 18.373 1.00 0.00 H new ATOM 0 HH11 ARG A 38 -13.648 -0.114 18.041 1.00 0.00 H new ATOM 0 HH12 ARG A 38 -14.364 0.010 19.651 1.00 0.00 H new ATOM 0 HH21 ARG A 38 -13.879 -3.396 20.431 1.00 0.00 H new ATOM 0 HH22 ARG A 38 -14.493 -1.839 20.998 1.00 0.00 H new ATOM 634 N THR A 39 -8.947 -0.821 12.940 1.00 0.00 N ATOM 635 CA THR A 39 -8.628 -1.134 11.545 1.00 0.00 C ATOM 636 C THR A 39 -8.319 -2.619 11.371 1.00 0.00 C ATOM 637 O THR A 39 -7.340 -3.137 11.911 1.00 0.00 O ATOM 638 CB THR A 39 -7.456 -0.270 11.036 1.00 0.00 C ATOM 639 OG1 THR A 39 -7.911 0.657 10.065 1.00 0.00 O ATOM 640 CG2 THR A 39 -6.322 -1.058 10.400 1.00 0.00 C ATOM 0 H THR A 39 -8.138 -0.770 13.559 1.00 0.00 H new ATOM 0 HA THR A 39 -9.507 -0.899 10.945 1.00 0.00 H new ATOM 0 HB THR A 39 -7.069 0.220 11.929 1.00 0.00 H new ATOM 0 HG1 THR A 39 -7.446 1.511 10.185 1.00 0.00 H new ATOM 0 HG21 THR A 39 -5.542 -0.372 10.071 1.00 0.00 H new ATOM 0 HG22 THR A 39 -5.909 -1.754 11.130 1.00 0.00 H new ATOM 0 HG23 THR A 39 -6.701 -1.614 9.543 1.00 0.00 H new ATOM 648 N PHE A 40 -9.163 -3.288 10.601 1.00 0.00 N ATOM 649 CA PHE A 40 -8.995 -4.706 10.326 1.00 0.00 C ATOM 650 C PHE A 40 -8.036 -4.900 9.156 1.00 0.00 C ATOM 651 O PHE A 40 -8.417 -5.436 8.113 1.00 0.00 O ATOM 652 CB PHE A 40 -10.351 -5.338 9.999 1.00 0.00 C ATOM 653 CG PHE A 40 -10.427 -6.818 10.255 1.00 0.00 C ATOM 654 CD1 PHE A 40 -9.545 -7.686 9.636 1.00 0.00 C ATOM 655 CD2 PHE A 40 -11.395 -7.341 11.101 1.00 0.00 C ATOM 656 CE1 PHE A 40 -9.623 -9.045 9.856 1.00 0.00 C ATOM 657 CE2 PHE A 40 -11.479 -8.702 11.323 1.00 0.00 C ATOM 658 CZ PHE A 40 -10.591 -9.555 10.699 1.00 0.00 C ATOM 0 H PHE A 40 -9.977 -2.868 10.153 1.00 0.00 H new ATOM 0 HA PHE A 40 -8.580 -5.192 11.209 1.00 0.00 H new ATOM 0 HB2 PHE A 40 -11.121 -4.840 10.588 1.00 0.00 H new ATOM 0 HB3 PHE A 40 -10.581 -5.151 8.950 1.00 0.00 H new ATOM 0 HD1 PHE A 40 -8.787 -7.295 8.973 1.00 0.00 H new ATOM 0 HD2 PHE A 40 -12.091 -6.676 11.591 1.00 0.00 H new ATOM 0 HE1 PHE A 40 -8.927 -9.711 9.369 1.00 0.00 H new ATOM 0 HE2 PHE A 40 -12.237 -9.097 11.983 1.00 0.00 H new ATOM 0 HZ PHE A 40 -10.653 -10.620 10.870 1.00 0.00 H new ATOM 668 N ILE A 41 -6.788 -4.464 9.329 1.00 0.00 N ATOM 669 CA ILE A 41 -5.796 -4.605 8.280 1.00 0.00 C ATOM 670 C ILE A 41 -5.470 -6.080 8.070 1.00 0.00 C ATOM 671 O ILE A 41 -4.805 -6.706 8.891 1.00 0.00 O ATOM 672 CB ILE A 41 -4.502 -3.813 8.589 1.00 0.00 C ATOM 673 CG1 ILE A 41 -3.533 -3.916 7.422 1.00 0.00 C ATOM 674 CG2 ILE A 41 -3.836 -4.311 9.856 1.00 0.00 C ATOM 675 CD1 ILE A 41 -3.996 -3.169 6.200 1.00 0.00 C ATOM 0 H ILE A 41 -6.449 -4.015 10.180 1.00 0.00 H new ATOM 0 HA ILE A 41 -6.221 -4.188 7.367 1.00 0.00 H new ATOM 0 HB ILE A 41 -4.779 -2.770 8.740 1.00 0.00 H new ATOM 0 HG12 ILE A 41 -2.561 -3.530 7.730 1.00 0.00 H new ATOM 0 HG13 ILE A 41 -3.392 -4.966 7.166 1.00 0.00 H new ATOM 0 HG21 ILE A 41 -2.931 -3.733 10.043 1.00 0.00 H new ATOM 0 HG22 ILE A 41 -4.520 -4.195 10.696 1.00 0.00 H new ATOM 0 HG23 ILE A 41 -3.577 -5.364 9.741 1.00 0.00 H new ATOM 0 HD11 ILE A 41 -3.260 -3.282 5.404 1.00 0.00 H new ATOM 0 HD12 ILE A 41 -4.954 -3.571 5.869 1.00 0.00 H new ATOM 0 HD13 ILE A 41 -4.110 -2.112 6.441 1.00 0.00 H new ATOM 687 N GLN A 42 -5.968 -6.636 6.977 1.00 0.00 N ATOM 688 CA GLN A 42 -5.747 -8.042 6.671 1.00 0.00 C ATOM 689 C GLN A 42 -4.469 -8.233 5.871 1.00 0.00 C ATOM 690 O GLN A 42 -3.642 -9.084 6.195 1.00 0.00 O ATOM 691 CB GLN A 42 -6.938 -8.592 5.895 1.00 0.00 C ATOM 692 CG GLN A 42 -8.230 -8.572 6.692 1.00 0.00 C ATOM 693 CD GLN A 42 -9.296 -9.490 6.122 1.00 0.00 C ATOM 694 OE1 GLN A 42 -9.281 -9.687 4.808 1.00 0.00 O flip ATOM 695 NE2 GLN A 42 -10.130 -10.016 6.860 1.00 0.00 N flip ATOM 0 H GLN A 42 -6.528 -6.136 6.287 1.00 0.00 H new ATOM 0 HA GLN A 42 -5.642 -8.587 7.609 1.00 0.00 H new ATOM 0 HB2 GLN A 42 -7.071 -8.008 4.984 1.00 0.00 H new ATOM 0 HB3 GLN A 42 -6.723 -9.616 5.589 1.00 0.00 H new ATOM 0 HG2 GLN A 42 -8.020 -8.864 7.721 1.00 0.00 H new ATOM 0 HG3 GLN A 42 -8.615 -7.553 6.723 1.00 0.00 H new ATOM 0 HE21 GLN A 42 -10.106 -9.839 7.864 1.00 0.00 H new ATOM 0 HE22 GLN A 42 -10.844 -10.629 6.467 1.00 0.00 H new ATOM 704 N ASN A 43 -4.317 -7.433 4.827 1.00 0.00 N ATOM 705 CA ASN A 43 -3.144 -7.504 3.975 1.00 0.00 C ATOM 706 C ASN A 43 -2.241 -6.303 4.223 1.00 0.00 C ATOM 707 O ASN A 43 -1.949 -5.525 3.313 1.00 0.00 O ATOM 708 CB ASN A 43 -3.573 -7.560 2.514 1.00 0.00 C ATOM 709 CG ASN A 43 -4.565 -8.676 2.251 1.00 0.00 C ATOM 710 OD1 ASN A 43 -5.760 -8.535 2.514 1.00 0.00 O ATOM 711 ND2 ASN A 43 -4.074 -9.794 1.731 1.00 0.00 N ATOM 0 H ASN A 43 -4.996 -6.724 4.550 1.00 0.00 H new ATOM 0 HA ASN A 43 -2.583 -8.408 4.211 1.00 0.00 H new ATOM 0 HB2 ASN A 43 -4.018 -6.606 2.231 1.00 0.00 H new ATOM 0 HB3 ASN A 43 -2.695 -7.701 1.884 1.00 0.00 H new ATOM 0 HD21 ASN A 43 -4.694 -10.580 1.534 1.00 0.00 H new ATOM 0 HD22 ASN A 43 -3.077 -9.867 1.529 1.00 0.00 H new ATOM 718 N PHE A 44 -1.812 -6.159 5.473 1.00 0.00 N ATOM 719 CA PHE A 44 -0.947 -5.053 5.872 1.00 0.00 C ATOM 720 C PHE A 44 0.206 -4.876 4.891 1.00 0.00 C ATOM 721 O PHE A 44 0.664 -3.761 4.657 1.00 0.00 O ATOM 722 CB PHE A 44 -0.406 -5.271 7.291 1.00 0.00 C ATOM 723 CG PHE A 44 0.107 -6.666 7.559 1.00 0.00 C ATOM 724 CD1 PHE A 44 -0.767 -7.704 7.853 1.00 0.00 C ATOM 725 CD2 PHE A 44 1.469 -6.937 7.524 1.00 0.00 C ATOM 726 CE1 PHE A 44 -0.296 -8.979 8.106 1.00 0.00 C ATOM 727 CE2 PHE A 44 1.944 -8.212 7.777 1.00 0.00 C ATOM 728 CZ PHE A 44 1.061 -9.233 8.068 1.00 0.00 C ATOM 0 H PHE A 44 -2.051 -6.798 6.231 1.00 0.00 H new ATOM 0 HA PHE A 44 -1.547 -4.143 5.863 1.00 0.00 H new ATOM 0 HB2 PHE A 44 0.400 -4.560 7.472 1.00 0.00 H new ATOM 0 HB3 PHE A 44 -1.197 -5.045 8.006 1.00 0.00 H new ATOM 0 HD1 PHE A 44 -1.829 -7.513 7.884 1.00 0.00 H new ATOM 0 HD2 PHE A 44 2.165 -6.143 7.297 1.00 0.00 H new ATOM 0 HE1 PHE A 44 -0.989 -9.776 8.333 1.00 0.00 H new ATOM 0 HE2 PHE A 44 3.006 -8.409 7.747 1.00 0.00 H new ATOM 0 HZ PHE A 44 1.431 -10.228 8.266 1.00 0.00 H new ATOM 738 N ARG A 45 0.659 -5.982 4.310 1.00 0.00 N ATOM 739 CA ARG A 45 1.747 -5.948 3.338 1.00 0.00 C ATOM 740 C ARG A 45 1.332 -5.157 2.102 1.00 0.00 C ATOM 741 O ARG A 45 2.038 -4.251 1.659 1.00 0.00 O ATOM 742 CB ARG A 45 2.125 -7.369 2.928 1.00 0.00 C ATOM 743 CG ARG A 45 3.620 -7.584 2.791 1.00 0.00 C ATOM 744 CD ARG A 45 4.302 -7.615 4.147 1.00 0.00 C ATOM 745 NE ARG A 45 5.039 -6.384 4.414 1.00 0.00 N ATOM 746 CZ ARG A 45 6.072 -5.967 3.685 1.00 0.00 C ATOM 747 NH1 ARG A 45 6.498 -6.683 2.651 1.00 0.00 N ATOM 748 NH2 ARG A 45 6.682 -4.831 3.991 1.00 0.00 N ATOM 0 H ARG A 45 0.289 -6.914 4.495 1.00 0.00 H new ATOM 0 HA ARG A 45 2.607 -5.462 3.799 1.00 0.00 H new ATOM 0 HB2 ARG A 45 1.732 -8.068 3.666 1.00 0.00 H new ATOM 0 HB3 ARG A 45 1.644 -7.604 1.979 1.00 0.00 H new ATOM 0 HG2 ARG A 45 3.808 -8.521 2.266 1.00 0.00 H new ATOM 0 HG3 ARG A 45 4.050 -6.787 2.184 1.00 0.00 H new ATOM 0 HD2 ARG A 45 3.555 -7.767 4.926 1.00 0.00 H new ATOM 0 HD3 ARG A 45 4.985 -8.464 4.191 1.00 0.00 H new ATOM 0 HE ARG A 45 4.746 -5.810 5.205 1.00 0.00 H new ATOM 0 HH11 ARG A 45 6.033 -7.559 2.411 1.00 0.00 H new ATOM 0 HH12 ARG A 45 7.290 -6.357 2.097 1.00 0.00 H new ATOM 0 HH21 ARG A 45 6.360 -4.277 4.785 1.00 0.00 H new ATOM 0 HH22 ARG A 45 7.474 -4.511 3.433 1.00 0.00 H new ATOM 762 N GLU A 46 0.173 -5.518 1.558 1.00 0.00 N ATOM 763 CA GLU A 46 -0.374 -4.869 0.373 1.00 0.00 C ATOM 764 C GLU A 46 -0.796 -3.436 0.693 1.00 0.00 C ATOM 765 O GLU A 46 -0.346 -2.473 0.057 1.00 0.00 O ATOM 766 CB GLU A 46 -1.560 -5.707 -0.162 1.00 0.00 C ATOM 767 CG GLU A 46 -2.905 -4.989 -0.232 1.00 0.00 C ATOM 768 CD GLU A 46 -4.080 -5.900 0.068 1.00 0.00 C ATOM 769 OE1 GLU A 46 -3.990 -7.109 -0.228 1.00 0.00 O ATOM 770 OE2 GLU A 46 -5.093 -5.401 0.606 1.00 0.00 O ATOM 0 H GLU A 46 -0.412 -6.268 1.927 1.00 0.00 H new ATOM 0 HA GLU A 46 0.390 -4.813 -0.402 1.00 0.00 H new ATOM 0 HB2 GLU A 46 -1.307 -6.062 -1.161 1.00 0.00 H new ATOM 0 HB3 GLU A 46 -1.672 -6.587 0.471 1.00 0.00 H new ATOM 0 HG2 GLU A 46 -2.905 -4.160 0.476 1.00 0.00 H new ATOM 0 HG3 GLU A 46 -3.030 -4.560 -1.226 1.00 0.00 H new ATOM 777 N VAL A 47 -1.668 -3.312 1.683 1.00 0.00 N ATOM 778 CA VAL A 47 -2.173 -2.018 2.104 1.00 0.00 C ATOM 779 C VAL A 47 -1.031 -1.076 2.433 1.00 0.00 C ATOM 780 O VAL A 47 -1.144 0.135 2.261 1.00 0.00 O ATOM 781 CB VAL A 47 -3.086 -2.165 3.335 1.00 0.00 C ATOM 782 CG1 VAL A 47 -3.572 -0.813 3.829 1.00 0.00 C ATOM 783 CG2 VAL A 47 -4.264 -3.068 3.014 1.00 0.00 C ATOM 0 H VAL A 47 -2.042 -4.100 2.212 1.00 0.00 H new ATOM 0 HA VAL A 47 -2.750 -1.602 1.278 1.00 0.00 H new ATOM 0 HB VAL A 47 -2.501 -2.620 4.134 1.00 0.00 H new ATOM 0 HG11 VAL A 47 -4.214 -0.953 4.699 1.00 0.00 H new ATOM 0 HG12 VAL A 47 -2.716 -0.197 4.105 1.00 0.00 H new ATOM 0 HG13 VAL A 47 -4.135 -0.318 3.038 1.00 0.00 H new ATOM 0 HG21 VAL A 47 -4.900 -3.162 3.894 1.00 0.00 H new ATOM 0 HG22 VAL A 47 -4.839 -2.638 2.194 1.00 0.00 H new ATOM 0 HG23 VAL A 47 -3.899 -4.053 2.723 1.00 0.00 H new ATOM 793 N ALA A 48 0.073 -1.639 2.908 1.00 0.00 N ATOM 794 CA ALA A 48 1.229 -0.835 3.258 1.00 0.00 C ATOM 795 C ALA A 48 1.880 -0.229 2.020 1.00 0.00 C ATOM 796 O ALA A 48 2.065 0.981 1.932 1.00 0.00 O ATOM 797 CB ALA A 48 2.242 -1.654 4.034 1.00 0.00 C ATOM 0 H ALA A 48 0.189 -2.641 3.058 1.00 0.00 H new ATOM 0 HA ALA A 48 0.880 -0.020 3.892 1.00 0.00 H new ATOM 0 HB1 ALA A 48 3.099 -1.029 4.285 1.00 0.00 H new ATOM 0 HB2 ALA A 48 1.784 -2.026 4.950 1.00 0.00 H new ATOM 0 HB3 ALA A 48 2.572 -2.496 3.425 1.00 0.00 H new ATOM 803 N ASP A 49 2.244 -1.073 1.069 1.00 0.00 N ATOM 804 CA ASP A 49 2.890 -0.602 -0.147 1.00 0.00 C ATOM 805 C ASP A 49 2.135 0.578 -0.765 1.00 0.00 C ATOM 806 O ASP A 49 2.669 1.682 -0.845 1.00 0.00 O ATOM 807 CB ASP A 49 3.002 -1.738 -1.157 1.00 0.00 C ATOM 808 CG ASP A 49 4.249 -1.632 -2.009 1.00 0.00 C ATOM 809 OD1 ASP A 49 4.358 -0.658 -2.782 1.00 0.00 O ATOM 810 OD2 ASP A 49 5.116 -2.526 -1.906 1.00 0.00 O ATOM 0 H ASP A 49 2.105 -2.082 1.114 1.00 0.00 H new ATOM 0 HA ASP A 49 3.889 -0.257 0.120 1.00 0.00 H new ATOM 0 HB2 ASP A 49 3.006 -2.691 -0.628 1.00 0.00 H new ATOM 0 HB3 ASP A 49 2.123 -1.735 -1.802 1.00 0.00 H new ATOM 815 N ALA A 50 0.911 0.345 -1.225 1.00 0.00 N ATOM 816 CA ALA A 50 0.125 1.410 -1.853 1.00 0.00 C ATOM 817 C ALA A 50 0.045 2.677 -0.985 1.00 0.00 C ATOM 818 O ALA A 50 0.315 3.778 -1.467 1.00 0.00 O ATOM 819 CB ALA A 50 -1.266 0.905 -2.192 1.00 0.00 C ATOM 0 H ALA A 50 0.442 -0.560 -1.178 1.00 0.00 H new ATOM 0 HA ALA A 50 0.640 1.691 -2.771 1.00 0.00 H new ATOM 0 HB1 ALA A 50 -1.840 1.706 -2.658 1.00 0.00 H new ATOM 0 HB2 ALA A 50 -1.190 0.064 -2.882 1.00 0.00 H new ATOM 0 HB3 ALA A 50 -1.768 0.582 -1.280 1.00 0.00 H new ATOM 825 N LEU A 51 -0.347 2.530 0.284 1.00 0.00 N ATOM 826 CA LEU A 51 -0.467 3.679 1.171 1.00 0.00 C ATOM 827 C LEU A 51 0.911 4.299 1.438 1.00 0.00 C ATOM 828 O LEU A 51 1.019 5.429 1.917 1.00 0.00 O ATOM 829 CB LEU A 51 -1.163 3.266 2.481 1.00 0.00 C ATOM 830 CG LEU A 51 -0.892 4.166 3.678 1.00 0.00 C ATOM 831 CD1 LEU A 51 -1.279 5.586 3.350 1.00 0.00 C ATOM 832 CD2 LEU A 51 -1.630 3.677 4.915 1.00 0.00 C ATOM 0 H LEU A 51 -0.583 1.635 0.712 1.00 0.00 H new ATOM 0 HA LEU A 51 -1.082 4.438 0.688 1.00 0.00 H new ATOM 0 HB2 LEU A 51 -2.239 3.236 2.307 1.00 0.00 H new ATOM 0 HB3 LEU A 51 -0.853 2.252 2.733 1.00 0.00 H new ATOM 0 HG LEU A 51 0.175 4.132 3.899 1.00 0.00 H new ATOM 0 HD11 LEU A 51 -1.082 6.225 4.211 1.00 0.00 H new ATOM 0 HD12 LEU A 51 -0.695 5.935 2.498 1.00 0.00 H new ATOM 0 HD13 LEU A 51 -2.340 5.626 3.103 1.00 0.00 H new ATOM 0 HD21 LEU A 51 -1.416 4.341 5.753 1.00 0.00 H new ATOM 0 HD22 LEU A 51 -2.703 3.672 4.721 1.00 0.00 H new ATOM 0 HD23 LEU A 51 -1.301 2.667 5.159 1.00 0.00 H new ATOM 844 N ASN A 52 1.962 3.554 1.105 1.00 0.00 N ATOM 845 CA ASN A 52 3.331 4.018 1.285 1.00 0.00 C ATOM 846 C ASN A 52 4.316 2.917 0.913 1.00 0.00 C ATOM 847 O ASN A 52 4.469 1.939 1.644 1.00 0.00 O ATOM 848 CB ASN A 52 3.571 4.460 2.728 1.00 0.00 C ATOM 849 CG ASN A 52 4.341 5.762 2.801 1.00 0.00 C ATOM 850 OD1 ASN A 52 3.974 6.675 3.540 1.00 0.00 O ATOM 851 ND2 ASN A 52 5.417 5.851 2.028 1.00 0.00 N ATOM 0 H ASN A 52 1.888 2.618 0.706 1.00 0.00 H new ATOM 0 HA ASN A 52 3.486 4.874 0.629 1.00 0.00 H new ATOM 0 HB2 ASN A 52 2.614 4.576 3.236 1.00 0.00 H new ATOM 0 HB3 ASN A 52 4.121 3.683 3.259 1.00 0.00 H new ATOM 0 HD21 ASN A 52 5.978 6.703 2.031 1.00 0.00 H new ATOM 0 HD22 ASN A 52 5.683 5.067 1.431 1.00 0.00 H new ATOM 858 N ARG A 53 4.979 3.080 -0.229 1.00 0.00 N ATOM 859 CA ARG A 53 5.951 2.098 -0.702 1.00 0.00 C ATOM 860 C ARG A 53 6.905 1.696 0.417 1.00 0.00 C ATOM 861 O ARG A 53 7.177 0.513 0.623 1.00 0.00 O ATOM 862 CB ARG A 53 6.742 2.662 -1.883 1.00 0.00 C ATOM 863 CG ARG A 53 7.772 1.692 -2.444 1.00 0.00 C ATOM 864 CD ARG A 53 7.725 1.640 -3.962 1.00 0.00 C ATOM 865 NE ARG A 53 7.937 0.290 -4.476 1.00 0.00 N ATOM 866 CZ ARG A 53 9.135 -0.284 -4.584 1.00 0.00 C ATOM 867 NH1 ARG A 53 10.228 0.367 -4.202 1.00 0.00 N ATOM 868 NH2 ARG A 53 9.243 -1.512 -5.071 1.00 0.00 N ATOM 0 H ARG A 53 4.861 3.884 -0.845 1.00 0.00 H new ATOM 0 HA ARG A 53 5.407 1.212 -1.028 1.00 0.00 H new ATOM 0 HB2 ARG A 53 6.047 2.940 -2.676 1.00 0.00 H new ATOM 0 HB3 ARG A 53 7.248 3.575 -1.568 1.00 0.00 H new ATOM 0 HG2 ARG A 53 8.769 1.992 -2.121 1.00 0.00 H new ATOM 0 HG3 ARG A 53 7.592 0.696 -2.040 1.00 0.00 H new ATOM 0 HD2 ARG A 53 6.759 2.010 -4.306 1.00 0.00 H new ATOM 0 HD3 ARG A 53 8.486 2.306 -4.370 1.00 0.00 H new ATOM 0 HE ARG A 53 7.120 -0.245 -4.770 1.00 0.00 H new ATOM 0 HH11 ARG A 53 10.153 1.311 -3.824 1.00 0.00 H new ATOM 0 HH12 ARG A 53 11.142 -0.077 -4.287 1.00 0.00 H new ATOM 0 HH21 ARG A 53 8.408 -2.020 -5.364 1.00 0.00 H new ATOM 0 HH22 ARG A 53 10.161 -1.949 -5.153 1.00 0.00 H new ATOM 882 N ASP A 54 7.399 2.692 1.144 1.00 0.00 N ATOM 883 CA ASP A 54 8.313 2.451 2.251 1.00 0.00 C ATOM 884 C ASP A 54 7.539 2.011 3.490 1.00 0.00 C ATOM 885 O ASP A 54 6.528 2.617 3.846 1.00 0.00 O ATOM 886 CB ASP A 54 9.116 3.717 2.559 1.00 0.00 C ATOM 887 CG ASP A 54 10.473 3.722 1.882 1.00 0.00 C ATOM 888 OD1 ASP A 54 10.564 4.217 0.740 1.00 0.00 O ATOM 889 OD2 ASP A 54 11.445 3.234 2.497 1.00 0.00 O ATOM 0 H ASP A 54 7.180 3.676 0.985 1.00 0.00 H new ATOM 0 HA ASP A 54 9.002 1.656 1.966 1.00 0.00 H new ATOM 0 HB2 ASP A 54 8.549 4.590 2.237 1.00 0.00 H new ATOM 0 HB3 ASP A 54 9.251 3.805 3.637 1.00 0.00 H new ATOM 894 N PRO A 55 7.999 0.949 4.170 1.00 0.00 N ATOM 895 CA PRO A 55 7.337 0.440 5.373 1.00 0.00 C ATOM 896 C PRO A 55 7.519 1.373 6.564 1.00 0.00 C ATOM 897 O PRO A 55 6.605 1.560 7.367 1.00 0.00 O ATOM 898 CB PRO A 55 8.036 -0.895 5.628 1.00 0.00 C ATOM 899 CG PRO A 55 9.382 -0.744 5.008 1.00 0.00 C ATOM 900 CD PRO A 55 9.200 0.163 3.823 1.00 0.00 C ATOM 0 HA PRO A 55 6.259 0.350 5.240 1.00 0.00 H new ATOM 0 HB2 PRO A 55 8.113 -1.104 6.695 1.00 0.00 H new ATOM 0 HB3 PRO A 55 7.485 -1.722 5.180 1.00 0.00 H new ATOM 0 HG2 PRO A 55 10.092 -0.319 5.718 1.00 0.00 H new ATOM 0 HG3 PRO A 55 9.779 -1.711 4.700 1.00 0.00 H new ATOM 0 HD2 PRO A 55 10.069 0.804 3.671 1.00 0.00 H new ATOM 0 HD3 PRO A 55 9.057 -0.403 2.903 1.00 0.00 H new ATOM 908 N GLN A 56 8.711 1.949 6.670 1.00 0.00 N ATOM 909 CA GLN A 56 9.032 2.862 7.761 1.00 0.00 C ATOM 910 C GLN A 56 8.126 4.088 7.750 1.00 0.00 C ATOM 911 O GLN A 56 7.702 4.572 8.802 1.00 0.00 O ATOM 912 CB GLN A 56 10.490 3.305 7.657 1.00 0.00 C ATOM 913 CG GLN A 56 11.477 2.266 8.161 1.00 0.00 C ATOM 914 CD GLN A 56 11.491 2.162 9.674 1.00 0.00 C ATOM 915 OE1 GLN A 56 11.654 3.160 10.376 1.00 0.00 O ATOM 916 NE2 GLN A 56 11.318 0.948 10.184 1.00 0.00 N ATOM 0 H GLN A 56 9.474 1.799 6.010 1.00 0.00 H new ATOM 0 HA GLN A 56 8.872 2.329 8.698 1.00 0.00 H new ATOM 0 HB2 GLN A 56 10.718 3.536 6.616 1.00 0.00 H new ATOM 0 HB3 GLN A 56 10.623 4.226 8.225 1.00 0.00 H new ATOM 0 HG2 GLN A 56 11.225 1.294 7.736 1.00 0.00 H new ATOM 0 HG3 GLN A 56 12.477 2.519 7.808 1.00 0.00 H new ATOM 0 HE21 GLN A 56 11.186 0.149 9.564 1.00 0.00 H new ATOM 0 HE22 GLN A 56 11.317 0.815 11.195 1.00 0.00 H new ATOM 925 N HIS A 57 7.832 4.586 6.556 1.00 0.00 N ATOM 926 CA HIS A 57 6.981 5.764 6.414 1.00 0.00 C ATOM 927 C HIS A 57 5.550 5.452 6.814 1.00 0.00 C ATOM 928 O HIS A 57 5.007 6.055 7.738 1.00 0.00 O ATOM 929 CB HIS A 57 7.027 6.292 4.978 1.00 0.00 C ATOM 930 CG HIS A 57 7.329 7.755 4.878 1.00 0.00 C ATOM 931 ND1 HIS A 57 6.629 8.722 5.570 1.00 0.00 N ATOM 932 CD2 HIS A 57 8.257 8.418 4.148 1.00 0.00 C ATOM 933 CE1 HIS A 57 7.112 9.914 5.269 1.00 0.00 C ATOM 934 NE2 HIS A 57 8.101 9.757 4.408 1.00 0.00 N ATOM 0 H HIS A 57 8.167 4.196 5.675 1.00 0.00 H new ATOM 0 HA HIS A 57 7.362 6.536 7.082 1.00 0.00 H new ATOM 0 HB2 HIS A 57 7.782 5.737 4.421 1.00 0.00 H new ATOM 0 HB3 HIS A 57 6.068 6.095 4.498 1.00 0.00 H new ATOM 0 HD2 HIS A 57 8.985 7.975 3.484 1.00 0.00 H new ATOM 0 HE1 HIS A 57 6.758 10.856 5.660 1.00 0.00 H new ATOM 0 HE2 HIS A 57 8.658 10.509 4.002 1.00 0.00 H new ATOM 942 N LEU A 58 4.942 4.508 6.115 1.00 0.00 N ATOM 943 CA LEU A 58 3.572 4.117 6.407 1.00 0.00 C ATOM 944 C LEU A 58 3.372 3.932 7.901 1.00 0.00 C ATOM 945 O LEU A 58 2.414 4.435 8.487 1.00 0.00 O ATOM 946 CB LEU A 58 3.241 2.808 5.711 1.00 0.00 C ATOM 947 CG LEU A 58 1.753 2.482 5.634 1.00 0.00 C ATOM 948 CD1 LEU A 58 1.370 2.201 4.200 1.00 0.00 C ATOM 949 CD2 LEU A 58 1.413 1.289 6.520 1.00 0.00 C ATOM 0 H LEU A 58 5.373 3.999 5.343 1.00 0.00 H new ATOM 0 HA LEU A 58 2.915 4.909 6.047 1.00 0.00 H new ATOM 0 HB2 LEU A 58 3.644 2.839 4.699 1.00 0.00 H new ATOM 0 HB3 LEU A 58 3.750 1.997 6.232 1.00 0.00 H new ATOM 0 HG LEU A 58 1.186 3.340 5.995 1.00 0.00 H new ATOM 0 HD11 LEU A 58 0.307 1.968 4.146 1.00 0.00 H new ATOM 0 HD12 LEU A 58 1.581 3.078 3.589 1.00 0.00 H new ATOM 0 HD13 LEU A 58 1.946 1.353 3.829 1.00 0.00 H new ATOM 0 HD21 LEU A 58 0.347 1.075 6.449 1.00 0.00 H new ATOM 0 HD22 LEU A 58 1.980 0.418 6.191 1.00 0.00 H new ATOM 0 HD23 LEU A 58 1.669 1.519 7.554 1.00 0.00 H new ATOM 961 N LEU A 59 4.290 3.188 8.501 1.00 0.00 N ATOM 962 CA LEU A 59 4.231 2.900 9.924 1.00 0.00 C ATOM 963 C LEU A 59 4.080 4.178 10.730 1.00 0.00 C ATOM 964 O LEU A 59 3.222 4.275 11.606 1.00 0.00 O ATOM 965 CB LEU A 59 5.485 2.148 10.354 1.00 0.00 C ATOM 966 CG LEU A 59 5.314 1.262 11.585 1.00 0.00 C ATOM 967 CD1 LEU A 59 6.509 0.336 11.742 1.00 0.00 C ATOM 968 CD2 LEU A 59 5.126 2.116 12.831 1.00 0.00 C ATOM 0 H LEU A 59 5.088 2.772 8.020 1.00 0.00 H new ATOM 0 HA LEU A 59 3.358 2.276 10.114 1.00 0.00 H new ATOM 0 HB2 LEU A 59 5.822 1.529 9.523 1.00 0.00 H new ATOM 0 HB3 LEU A 59 6.275 2.872 10.553 1.00 0.00 H new ATOM 0 HG LEU A 59 4.422 0.649 11.452 1.00 0.00 H new ATOM 0 HD11 LEU A 59 6.372 -0.289 12.624 1.00 0.00 H new ATOM 0 HD12 LEU A 59 6.597 -0.297 10.859 1.00 0.00 H new ATOM 0 HD13 LEU A 59 7.416 0.929 11.855 1.00 0.00 H new ATOM 0 HD21 LEU A 59 5.005 1.470 13.700 1.00 0.00 H new ATOM 0 HD22 LEU A 59 5.999 2.753 12.971 1.00 0.00 H new ATOM 0 HD23 LEU A 59 4.238 2.738 12.715 1.00 0.00 H new ATOM 980 N LYS A 60 4.914 5.160 10.420 1.00 0.00 N ATOM 981 CA LYS A 60 4.865 6.438 11.109 1.00 0.00 C ATOM 982 C LYS A 60 3.476 7.064 11.001 1.00 0.00 C ATOM 983 O LYS A 60 2.951 7.597 11.977 1.00 0.00 O ATOM 984 CB LYS A 60 5.917 7.386 10.535 1.00 0.00 C ATOM 985 CG LYS A 60 7.117 7.581 11.448 1.00 0.00 C ATOM 986 CD LYS A 60 7.297 9.042 11.831 1.00 0.00 C ATOM 987 CE LYS A 60 7.636 9.194 13.304 1.00 0.00 C ATOM 988 NZ LYS A 60 9.081 9.482 13.517 1.00 0.00 N ATOM 0 H LYS A 60 5.631 5.095 9.697 1.00 0.00 H new ATOM 0 HA LYS A 60 5.079 6.266 12.164 1.00 0.00 H new ATOM 0 HB2 LYS A 60 6.259 6.999 9.575 1.00 0.00 H new ATOM 0 HB3 LYS A 60 5.456 8.355 10.342 1.00 0.00 H new ATOM 0 HG2 LYS A 60 6.991 6.981 12.349 1.00 0.00 H new ATOM 0 HG3 LYS A 60 8.017 7.221 10.949 1.00 0.00 H new ATOM 0 HD2 LYS A 60 8.090 9.483 11.227 1.00 0.00 H new ATOM 0 HD3 LYS A 60 6.383 9.593 11.608 1.00 0.00 H new ATOM 0 HE2 LYS A 60 7.039 9.999 13.732 1.00 0.00 H new ATOM 0 HE3 LYS A 60 7.366 8.281 13.834 1.00 0.00 H new ATOM 0 HZ1 LYS A 60 9.269 9.578 14.535 1.00 0.00 H new ATOM 0 HZ2 LYS A 60 9.651 8.702 13.132 1.00 0.00 H new ATOM 0 HZ3 LYS A 60 9.334 10.367 13.033 1.00 0.00 H new ATOM 1002 N PHE A 61 2.880 6.993 9.812 1.00 0.00 N ATOM 1003 CA PHE A 61 1.549 7.553 9.598 1.00 0.00 C ATOM 1004 C PHE A 61 0.548 6.929 10.562 1.00 0.00 C ATOM 1005 O PHE A 61 -0.309 7.617 11.120 1.00 0.00 O ATOM 1006 CB PHE A 61 1.104 7.344 8.149 1.00 0.00 C ATOM 1007 CG PHE A 61 0.865 8.631 7.414 1.00 0.00 C ATOM 1008 CD1 PHE A 61 1.775 9.674 7.503 1.00 0.00 C ATOM 1009 CD2 PHE A 61 -0.270 8.802 6.640 1.00 0.00 C ATOM 1010 CE1 PHE A 61 1.556 10.862 6.834 1.00 0.00 C ATOM 1011 CE2 PHE A 61 -0.494 9.987 5.968 1.00 0.00 C ATOM 1012 CZ PHE A 61 0.419 11.019 6.066 1.00 0.00 C ATOM 0 H PHE A 61 3.295 6.557 8.989 1.00 0.00 H new ATOM 0 HA PHE A 61 1.591 8.625 9.791 1.00 0.00 H new ATOM 0 HB2 PHE A 61 1.864 6.767 7.622 1.00 0.00 H new ATOM 0 HB3 PHE A 61 0.189 6.751 8.138 1.00 0.00 H new ATOM 0 HD1 PHE A 61 2.665 9.556 8.103 1.00 0.00 H new ATOM 0 HD2 PHE A 61 -0.988 7.999 6.561 1.00 0.00 H new ATOM 0 HE1 PHE A 61 2.272 11.667 6.911 1.00 0.00 H new ATOM 0 HE2 PHE A 61 -1.383 10.107 5.366 1.00 0.00 H new ATOM 0 HZ PHE A 61 0.244 11.947 5.543 1.00 0.00 H new ATOM 1022 N LEU A 62 0.668 5.621 10.766 1.00 0.00 N ATOM 1023 CA LEU A 62 -0.215 4.910 11.677 1.00 0.00 C ATOM 1024 C LEU A 62 -0.123 5.508 13.085 1.00 0.00 C ATOM 1025 O LEU A 62 -1.091 6.069 13.593 1.00 0.00 O ATOM 1026 CB LEU A 62 0.149 3.420 11.709 1.00 0.00 C ATOM 1027 CG LEU A 62 -0.676 2.526 10.778 1.00 0.00 C ATOM 1028 CD1 LEU A 62 0.043 2.324 9.453 1.00 0.00 C ATOM 1029 CD2 LEU A 62 -0.961 1.184 11.437 1.00 0.00 C ATOM 0 H LEU A 62 1.368 5.034 10.312 1.00 0.00 H new ATOM 0 HA LEU A 62 -1.240 5.014 11.322 1.00 0.00 H new ATOM 0 HB2 LEU A 62 1.202 3.314 11.449 1.00 0.00 H new ATOM 0 HB3 LEU A 62 0.035 3.057 12.730 1.00 0.00 H new ATOM 0 HG LEU A 62 -1.626 3.023 10.582 1.00 0.00 H new ATOM 0 HD11 LEU A 62 -0.559 1.686 8.806 1.00 0.00 H new ATOM 0 HD12 LEU A 62 0.195 3.290 8.971 1.00 0.00 H new ATOM 0 HD13 LEU A 62 1.009 1.851 9.631 1.00 0.00 H new ATOM 0 HD21 LEU A 62 -1.548 0.564 10.760 1.00 0.00 H new ATOM 0 HD22 LEU A 62 -0.020 0.683 11.664 1.00 0.00 H new ATOM 0 HD23 LEU A 62 -1.519 1.343 12.359 1.00 0.00 H new ATOM 1041 N LEU A 63 1.051 5.404 13.709 1.00 0.00 N ATOM 1042 CA LEU A 63 1.248 5.946 15.055 1.00 0.00 C ATOM 1043 C LEU A 63 0.869 7.430 15.135 1.00 0.00 C ATOM 1044 O LEU A 63 0.643 7.958 16.225 1.00 0.00 O ATOM 1045 CB LEU A 63 2.697 5.747 15.508 1.00 0.00 C ATOM 1046 CG LEU A 63 3.766 6.260 14.543 1.00 0.00 C ATOM 1047 CD1 LEU A 63 4.082 7.723 14.826 1.00 0.00 C ATOM 1048 CD2 LEU A 63 5.022 5.406 14.646 1.00 0.00 C ATOM 0 H LEU A 63 1.874 4.954 13.309 1.00 0.00 H new ATOM 0 HA LEU A 63 0.586 5.398 15.725 1.00 0.00 H new ATOM 0 HB2 LEU A 63 2.830 6.245 16.468 1.00 0.00 H new ATOM 0 HB3 LEU A 63 2.864 4.683 15.675 1.00 0.00 H new ATOM 0 HG LEU A 63 3.383 6.186 13.525 1.00 0.00 H new ATOM 0 HD11 LEU A 63 4.845 8.072 14.130 1.00 0.00 H new ATOM 0 HD12 LEU A 63 3.179 8.321 14.704 1.00 0.00 H new ATOM 0 HD13 LEU A 63 4.449 7.825 15.847 1.00 0.00 H new ATOM 0 HD21 LEU A 63 5.775 5.782 13.954 1.00 0.00 H new ATOM 0 HD22 LEU A 63 5.410 5.451 15.664 1.00 0.00 H new ATOM 0 HD23 LEU A 63 4.781 4.373 14.394 1.00 0.00 H new ATOM 1060 N ARG A 64 0.793 8.097 13.984 1.00 0.00 N ATOM 1061 CA ARG A 64 0.433 9.515 13.952 1.00 0.00 C ATOM 1062 C ARG A 64 -1.059 9.705 14.216 1.00 0.00 C ATOM 1063 O ARG A 64 -1.458 10.606 14.957 1.00 0.00 O ATOM 1064 CB ARG A 64 0.812 10.150 12.611 1.00 0.00 C ATOM 1065 CG ARG A 64 2.313 10.278 12.407 1.00 0.00 C ATOM 1066 CD ARG A 64 2.843 11.606 12.929 1.00 0.00 C ATOM 1067 NE ARG A 64 4.167 11.466 13.537 1.00 0.00 N ATOM 1068 CZ ARG A 64 4.910 12.493 13.949 1.00 0.00 C ATOM 1069 NH1 ARG A 64 4.477 13.739 13.792 1.00 0.00 N ATOM 1070 NH2 ARG A 64 6.090 12.276 14.516 1.00 0.00 N ATOM 0 H ARG A 64 0.974 7.684 13.069 1.00 0.00 H new ATOM 0 HA ARG A 64 0.994 10.014 14.742 1.00 0.00 H new ATOM 0 HB2 ARG A 64 0.393 9.551 11.802 1.00 0.00 H new ATOM 0 HB3 ARG A 64 0.358 11.139 12.544 1.00 0.00 H new ATOM 0 HG2 ARG A 64 2.820 9.459 12.916 1.00 0.00 H new ATOM 0 HG3 ARG A 64 2.545 10.186 11.346 1.00 0.00 H new ATOM 0 HD2 ARG A 64 2.894 12.323 12.110 1.00 0.00 H new ATOM 0 HD3 ARG A 64 2.147 12.011 13.664 1.00 0.00 H new ATOM 0 HE ARG A 64 4.544 10.525 13.652 1.00 0.00 H new ATOM 0 HH11 ARG A 64 3.572 13.913 13.355 1.00 0.00 H new ATOM 0 HH12 ARG A 64 5.049 14.522 14.109 1.00 0.00 H new ATOM 0 HH21 ARG A 64 6.430 11.322 14.637 1.00 0.00 H new ATOM 0 HH22 ARG A 64 6.657 13.063 14.831 1.00 0.00 H new ATOM 1084 N GLU A 65 -1.880 8.855 13.609 1.00 0.00 N ATOM 1085 CA GLU A 65 -3.326 8.934 13.782 1.00 0.00 C ATOM 1086 C GLU A 65 -3.794 7.992 14.883 1.00 0.00 C ATOM 1087 O GLU A 65 -4.214 8.436 15.954 1.00 0.00 O ATOM 1088 CB GLU A 65 -4.038 8.605 12.469 1.00 0.00 C ATOM 1089 CG GLU A 65 -5.270 9.459 12.220 1.00 0.00 C ATOM 1090 CD GLU A 65 -4.919 10.901 11.905 1.00 0.00 C ATOM 1091 OE1 GLU A 65 -4.439 11.605 12.817 1.00 0.00 O ATOM 1092 OE2 GLU A 65 -5.121 11.324 10.748 1.00 0.00 O ATOM 0 H GLU A 65 -1.569 8.104 12.993 1.00 0.00 H new ATOM 0 HA GLU A 65 -3.577 9.954 14.074 1.00 0.00 H new ATOM 0 HB2 GLU A 65 -3.340 8.738 11.643 1.00 0.00 H new ATOM 0 HB3 GLU A 65 -4.328 7.554 12.475 1.00 0.00 H new ATOM 0 HG2 GLU A 65 -5.840 9.037 11.392 1.00 0.00 H new ATOM 0 HG3 GLU A 65 -5.914 9.428 13.099 1.00 0.00 H new ATOM 1099 N LEU A 66 -3.714 6.692 14.620 1.00 0.00 N ATOM 1100 CA LEU A 66 -4.127 5.696 15.603 1.00 0.00 C ATOM 1101 C LEU A 66 -3.250 5.775 16.846 1.00 0.00 C ATOM 1102 O LEU A 66 -2.308 5.001 17.004 1.00 0.00 O ATOM 1103 CB LEU A 66 -4.092 4.273 15.021 1.00 0.00 C ATOM 1104 CG LEU A 66 -2.971 3.969 14.028 1.00 0.00 C ATOM 1105 CD1 LEU A 66 -1.925 3.072 14.667 1.00 0.00 C ATOM 1106 CD2 LEU A 66 -3.538 3.324 12.770 1.00 0.00 C ATOM 0 H LEU A 66 -3.370 6.305 13.741 1.00 0.00 H new ATOM 0 HA LEU A 66 -5.158 5.919 15.879 1.00 0.00 H new ATOM 0 HB2 LEU A 66 -4.015 3.568 15.849 1.00 0.00 H new ATOM 0 HB3 LEU A 66 -5.045 4.083 14.528 1.00 0.00 H new ATOM 0 HG LEU A 66 -2.491 4.906 13.747 1.00 0.00 H new ATOM 0 HD11 LEU A 66 -1.134 2.865 13.946 1.00 0.00 H new ATOM 0 HD12 LEU A 66 -1.501 3.571 15.538 1.00 0.00 H new ATOM 0 HD13 LEU A 66 -2.389 2.135 14.976 1.00 0.00 H new ATOM 0 HD21 LEU A 66 -2.728 3.113 12.072 1.00 0.00 H new ATOM 0 HD22 LEU A 66 -4.041 2.394 13.033 1.00 0.00 H new ATOM 0 HD23 LEU A 66 -4.252 4.003 12.303 1.00 0.00 H new ATOM 1118 N GLY A 67 -3.568 6.716 17.730 1.00 0.00 N ATOM 1119 CA GLY A 67 -2.801 6.877 18.952 1.00 0.00 C ATOM 1120 C GLY A 67 -3.238 5.913 20.042 1.00 0.00 C ATOM 1121 O GLY A 67 -3.429 6.309 21.193 1.00 0.00 O ATOM 0 H GLY A 67 -4.343 7.370 17.622 1.00 0.00 H new ATOM 0 HA2 GLY A 67 -1.744 6.723 18.737 1.00 0.00 H new ATOM 0 HA3 GLY A 67 -2.907 7.900 19.312 1.00 0.00 H new ATOM 1125 N THR A 68 -3.395 4.644 19.674 1.00 0.00 N ATOM 1126 CA THR A 68 -3.810 3.608 20.611 1.00 0.00 C ATOM 1127 C THR A 68 -2.802 2.467 20.611 1.00 0.00 C ATOM 1128 O THR A 68 -1.917 2.418 19.757 1.00 0.00 O ATOM 1129 CB THR A 68 -5.200 3.083 20.250 1.00 0.00 C ATOM 1130 OG1 THR A 68 -5.121 2.134 19.200 1.00 0.00 O ATOM 1131 CG2 THR A 68 -6.154 4.177 19.818 1.00 0.00 C ATOM 0 H THR A 68 -3.239 4.308 18.724 1.00 0.00 H new ATOM 0 HA THR A 68 -3.853 4.042 21.610 1.00 0.00 H new ATOM 0 HB THR A 68 -5.586 2.626 21.161 1.00 0.00 H new ATOM 0 HG1 THR A 68 -5.023 2.601 18.344 1.00 0.00 H new ATOM 0 HG21 THR A 68 -7.123 3.740 19.575 1.00 0.00 H new ATOM 0 HG22 THR A 68 -6.273 4.897 20.628 1.00 0.00 H new ATOM 0 HG23 THR A 68 -5.754 4.683 18.939 1.00 0.00 H new ATOM 1139 N ALA A 69 -2.937 1.561 21.576 1.00 0.00 N ATOM 1140 CA ALA A 69 -2.035 0.415 21.703 1.00 0.00 C ATOM 1141 C ALA A 69 -1.574 -0.103 20.342 1.00 0.00 C ATOM 1142 O ALA A 69 -0.378 -0.271 20.103 1.00 0.00 O ATOM 1143 CB ALA A 69 -2.713 -0.695 22.487 1.00 0.00 C ATOM 0 H ALA A 69 -3.667 1.598 22.287 1.00 0.00 H new ATOM 0 HA ALA A 69 -1.148 0.750 22.241 1.00 0.00 H new ATOM 0 HB1 ALA A 69 -2.035 -1.544 22.577 1.00 0.00 H new ATOM 0 HB2 ALA A 69 -2.973 -0.332 23.481 1.00 0.00 H new ATOM 0 HB3 ALA A 69 -3.618 -1.007 21.967 1.00 0.00 H new ATOM 1149 N GLY A 70 -2.531 -0.350 19.453 1.00 0.00 N ATOM 1150 CA GLY A 70 -2.201 -0.843 18.129 1.00 0.00 C ATOM 1151 C GLY A 70 -1.577 -2.221 18.168 1.00 0.00 C ATOM 1152 O GLY A 70 -0.445 -2.383 18.623 1.00 0.00 O ATOM 0 H GLY A 70 -3.528 -0.218 19.626 1.00 0.00 H new ATOM 0 HA2 GLY A 70 -3.104 -0.873 17.519 1.00 0.00 H new ATOM 0 HA3 GLY A 70 -1.513 -0.149 17.646 1.00 0.00 H new ATOM 1156 N ASN A 71 -2.315 -3.220 17.695 1.00 0.00 N ATOM 1157 CA ASN A 71 -1.815 -4.589 17.688 1.00 0.00 C ATOM 1158 C ASN A 71 -2.637 -5.480 16.766 1.00 0.00 C ATOM 1159 O ASN A 71 -3.722 -5.108 16.321 1.00 0.00 O ATOM 1160 CB ASN A 71 -1.821 -5.161 19.106 1.00 0.00 C ATOM 1161 CG ASN A 71 -0.621 -6.047 19.375 1.00 0.00 C ATOM 1162 OD1 ASN A 71 0.514 -5.572 19.443 1.00 0.00 O ATOM 1163 ND2 ASN A 71 -0.864 -7.343 19.530 1.00 0.00 N ATOM 0 H ASN A 71 -3.255 -3.108 17.314 1.00 0.00 H new ATOM 0 HA ASN A 71 -0.792 -4.566 17.311 1.00 0.00 H new ATOM 0 HB2 ASN A 71 -1.834 -4.342 19.825 1.00 0.00 H new ATOM 0 HB3 ASN A 71 -2.735 -5.735 19.260 1.00 0.00 H new ATOM 0 HD21 ASN A 71 -0.095 -7.988 19.713 1.00 0.00 H new ATOM 0 HD22 ASN A 71 -1.820 -7.694 19.466 1.00 0.00 H new ATOM 1170 N LEU A 72 -2.110 -6.664 16.486 1.00 0.00 N ATOM 1171 CA LEU A 72 -2.785 -7.622 15.621 1.00 0.00 C ATOM 1172 C LEU A 72 -3.818 -8.426 16.409 1.00 0.00 C ATOM 1173 O LEU A 72 -3.460 -9.288 17.209 1.00 0.00 O ATOM 1174 CB LEU A 72 -1.760 -8.565 14.976 1.00 0.00 C ATOM 1175 CG LEU A 72 -1.438 -8.257 13.511 1.00 0.00 C ATOM 1176 CD1 LEU A 72 -0.035 -7.683 13.371 1.00 0.00 C ATOM 1177 CD2 LEU A 72 -1.590 -9.504 12.654 1.00 0.00 C ATOM 0 H LEU A 72 -1.212 -6.985 16.848 1.00 0.00 H new ATOM 0 HA LEU A 72 -3.303 -7.072 14.836 1.00 0.00 H new ATOM 0 HB2 LEU A 72 -0.836 -8.524 15.553 1.00 0.00 H new ATOM 0 HB3 LEU A 72 -2.134 -9.587 15.044 1.00 0.00 H new ATOM 0 HG LEU A 72 -2.149 -7.508 13.161 1.00 0.00 H new ATOM 0 HD11 LEU A 72 0.169 -7.473 12.321 1.00 0.00 H new ATOM 0 HD12 LEU A 72 0.040 -6.761 13.947 1.00 0.00 H new ATOM 0 HD13 LEU A 72 0.692 -8.404 13.745 1.00 0.00 H new ATOM 0 HD21 LEU A 72 -1.357 -9.263 11.617 1.00 0.00 H new ATOM 0 HD22 LEU A 72 -0.907 -10.276 13.010 1.00 0.00 H new ATOM 0 HD23 LEU A 72 -2.615 -9.868 12.720 1.00 0.00 H new ATOM 1189 N GLU A 73 -5.100 -8.161 16.163 1.00 0.00 N ATOM 1190 CA GLU A 73 -6.170 -8.887 16.837 1.00 0.00 C ATOM 1191 C GLU A 73 -6.793 -9.900 15.879 1.00 0.00 C ATOM 1192 O GLU A 73 -6.721 -9.735 14.660 1.00 0.00 O ATOM 1193 CB GLU A 73 -7.237 -7.911 17.344 1.00 0.00 C ATOM 1194 CG GLU A 73 -7.934 -8.350 18.616 1.00 0.00 C ATOM 1195 CD GLU A 73 -8.998 -7.359 19.050 1.00 0.00 C ATOM 1196 OE1 GLU A 73 -9.304 -6.434 18.264 1.00 0.00 O ATOM 1197 OE2 GLU A 73 -9.525 -7.504 20.171 1.00 0.00 O ATOM 0 H GLU A 73 -5.420 -7.451 15.504 1.00 0.00 H new ATOM 0 HA GLU A 73 -5.752 -9.418 17.692 1.00 0.00 H new ATOM 0 HB2 GLU A 73 -6.772 -6.940 17.516 1.00 0.00 H new ATOM 0 HB3 GLU A 73 -7.985 -7.772 16.564 1.00 0.00 H new ATOM 0 HG2 GLU A 73 -8.390 -9.328 18.461 1.00 0.00 H new ATOM 0 HG3 GLU A 73 -7.198 -8.464 19.412 1.00 0.00 H new ATOM 1204 N GLY A 74 -7.398 -10.945 16.435 1.00 0.00 N ATOM 1205 CA GLY A 74 -8.023 -11.969 15.613 1.00 0.00 C ATOM 1206 C GLY A 74 -7.035 -12.654 14.686 1.00 0.00 C ATOM 1207 O GLY A 74 -5.824 -12.501 14.838 1.00 0.00 O ATOM 0 H GLY A 74 -7.467 -11.102 17.440 1.00 0.00 H new ATOM 0 HA2 GLY A 74 -8.488 -12.715 16.258 1.00 0.00 H new ATOM 0 HA3 GLY A 74 -8.820 -11.519 15.021 1.00 0.00 H new ATOM 1211 N GLY A 75 -7.553 -13.416 13.725 1.00 0.00 N ATOM 1212 CA GLY A 75 -6.697 -14.119 12.784 1.00 0.00 C ATOM 1213 C GLY A 75 -5.788 -13.190 11.995 1.00 0.00 C ATOM 1214 O GLY A 75 -4.590 -13.442 11.869 1.00 0.00 O ATOM 0 H GLY A 75 -8.553 -13.559 13.581 1.00 0.00 H new ATOM 0 HA2 GLY A 75 -6.086 -14.840 13.327 1.00 0.00 H new ATOM 0 HA3 GLY A 75 -7.318 -14.685 12.090 1.00 0.00 H new ATOM 1218 N ARG A 76 -6.361 -12.119 11.454 1.00 0.00 N ATOM 1219 CA ARG A 76 -5.600 -11.155 10.665 1.00 0.00 C ATOM 1220 C ARG A 76 -5.058 -10.042 11.558 1.00 0.00 C ATOM 1221 O ARG A 76 -4.923 -10.225 12.768 1.00 0.00 O ATOM 1222 CB ARG A 76 -6.481 -10.580 9.549 1.00 0.00 C ATOM 1223 CG ARG A 76 -7.352 -11.632 8.865 1.00 0.00 C ATOM 1224 CD ARG A 76 -6.914 -11.887 7.432 1.00 0.00 C ATOM 1225 NE ARG A 76 -7.608 -13.033 6.843 1.00 0.00 N ATOM 1226 CZ ARG A 76 -7.087 -14.257 6.737 1.00 0.00 C ATOM 1227 NH1 ARG A 76 -5.862 -14.513 7.182 1.00 0.00 N ATOM 1228 NH2 ARG A 76 -7.801 -15.231 6.189 1.00 0.00 N ATOM 0 H ARG A 76 -7.352 -11.896 11.548 1.00 0.00 H new ATOM 0 HA ARG A 76 -4.751 -11.664 10.209 1.00 0.00 H new ATOM 0 HB2 ARG A 76 -7.122 -9.803 9.965 1.00 0.00 H new ATOM 0 HB3 ARG A 76 -5.845 -10.103 8.803 1.00 0.00 H new ATOM 0 HG2 ARG A 76 -7.307 -12.563 9.429 1.00 0.00 H new ATOM 0 HG3 ARG A 76 -8.391 -11.304 8.874 1.00 0.00 H new ATOM 0 HD2 ARG A 76 -7.106 -10.998 6.831 1.00 0.00 H new ATOM 0 HD3 ARG A 76 -5.838 -12.062 7.407 1.00 0.00 H new ATOM 0 HE ARG A 76 -8.554 -12.886 6.490 1.00 0.00 H new ATOM 0 HH11 ARG A 76 -5.309 -13.770 7.610 1.00 0.00 H new ATOM 0 HH12 ARG A 76 -5.474 -15.452 7.096 1.00 0.00 H new ATOM 0 HH21 ARG A 76 -8.745 -15.043 5.850 1.00 0.00 H new ATOM 0 HH22 ARG A 76 -7.406 -16.168 6.106 1.00 0.00 H new ATOM 1242 N ALA A 77 -4.740 -8.892 10.967 1.00 0.00 N ATOM 1243 CA ALA A 77 -4.209 -7.778 11.742 1.00 0.00 C ATOM 1244 C ALA A 77 -5.297 -6.774 12.094 1.00 0.00 C ATOM 1245 O ALA A 77 -5.511 -5.794 11.390 1.00 0.00 O ATOM 1246 CB ALA A 77 -3.060 -7.095 11.006 1.00 0.00 C ATOM 0 H ALA A 77 -4.840 -8.710 9.968 1.00 0.00 H new ATOM 0 HA ALA A 77 -3.820 -8.187 12.675 1.00 0.00 H new ATOM 0 HB1 ALA A 77 -2.683 -6.268 11.607 1.00 0.00 H new ATOM 0 HB2 ALA A 77 -2.259 -7.814 10.835 1.00 0.00 H new ATOM 0 HB3 ALA A 77 -3.416 -6.715 10.049 1.00 0.00 H new ATOM 1252 N ILE A 78 -5.979 -7.022 13.196 1.00 0.00 N ATOM 1253 CA ILE A 78 -7.032 -6.130 13.645 1.00 0.00 C ATOM 1254 C ILE A 78 -6.511 -5.195 14.734 1.00 0.00 C ATOM 1255 O ILE A 78 -6.581 -5.520 15.918 1.00 0.00 O ATOM 1256 CB ILE A 78 -8.235 -6.921 14.189 1.00 0.00 C ATOM 1257 CG1 ILE A 78 -8.778 -7.866 13.122 1.00 0.00 C ATOM 1258 CG2 ILE A 78 -9.331 -5.980 14.670 1.00 0.00 C ATOM 1259 CD1 ILE A 78 -9.504 -9.068 13.690 1.00 0.00 C ATOM 0 H ILE A 78 -5.824 -7.832 13.796 1.00 0.00 H new ATOM 0 HA ILE A 78 -7.356 -5.544 12.785 1.00 0.00 H new ATOM 0 HB ILE A 78 -7.895 -7.512 15.039 1.00 0.00 H new ATOM 0 HG12 ILE A 78 -9.458 -7.315 12.472 1.00 0.00 H new ATOM 0 HG13 ILE A 78 -7.952 -8.211 12.500 1.00 0.00 H new ATOM 0 HG21 ILE A 78 -10.170 -6.563 15.050 1.00 0.00 H new ATOM 0 HG22 ILE A 78 -8.942 -5.344 15.465 1.00 0.00 H new ATOM 0 HG23 ILE A 78 -9.667 -5.358 13.840 1.00 0.00 H new ATOM 0 HD11 ILE A 78 -9.863 -9.695 12.874 1.00 0.00 H new ATOM 0 HD12 ILE A 78 -8.822 -9.642 14.317 1.00 0.00 H new ATOM 0 HD13 ILE A 78 -10.351 -8.732 14.289 1.00 0.00 H new ATOM 1271 N LEU A 79 -5.990 -4.033 14.329 1.00 0.00 N ATOM 1272 CA LEU A 79 -5.465 -3.056 15.286 1.00 0.00 C ATOM 1273 C LEU A 79 -6.533 -2.028 15.639 1.00 0.00 C ATOM 1274 O LEU A 79 -7.691 -2.187 15.260 1.00 0.00 O ATOM 1275 CB LEU A 79 -4.199 -2.379 14.740 1.00 0.00 C ATOM 1276 CG LEU A 79 -4.407 -1.363 13.610 1.00 0.00 C ATOM 1277 CD1 LEU A 79 -4.146 0.055 14.106 1.00 0.00 C ATOM 1278 CD2 LEU A 79 -3.495 -1.690 12.436 1.00 0.00 C ATOM 0 H LEU A 79 -5.921 -3.748 13.352 1.00 0.00 H new ATOM 0 HA LEU A 79 -5.189 -3.583 16.199 1.00 0.00 H new ATOM 0 HB2 LEU A 79 -3.697 -1.875 15.566 1.00 0.00 H new ATOM 0 HB3 LEU A 79 -3.523 -3.155 14.382 1.00 0.00 H new ATOM 0 HG LEU A 79 -5.443 -1.423 13.277 1.00 0.00 H new ATOM 0 HD11 LEU A 79 -4.299 0.760 13.289 1.00 0.00 H new ATOM 0 HD12 LEU A 79 -4.833 0.288 14.920 1.00 0.00 H new ATOM 0 HD13 LEU A 79 -3.119 0.132 14.464 1.00 0.00 H new ATOM 0 HD21 LEU A 79 -3.652 -0.962 11.640 1.00 0.00 H new ATOM 0 HD22 LEU A 79 -2.455 -1.654 12.762 1.00 0.00 H new ATOM 0 HD23 LEU A 79 -3.724 -2.689 12.064 1.00 0.00 H new ATOM 1290 N GLN A 80 -6.155 -0.989 16.384 1.00 0.00 N ATOM 1291 CA GLN A 80 -7.117 0.032 16.798 1.00 0.00 C ATOM 1292 C GLN A 80 -6.532 1.432 16.703 1.00 0.00 C ATOM 1293 O GLN A 80 -5.315 1.614 16.736 1.00 0.00 O ATOM 1294 CB GLN A 80 -7.565 -0.221 18.241 1.00 0.00 C ATOM 1295 CG GLN A 80 -8.892 0.437 18.585 1.00 0.00 C ATOM 1296 CD GLN A 80 -9.282 0.267 20.041 1.00 0.00 C ATOM 1297 OE1 GLN A 80 -8.438 0.001 20.898 1.00 0.00 O ATOM 1298 NE2 GLN A 80 -10.571 0.420 20.330 1.00 0.00 N ATOM 0 H GLN A 80 -5.201 -0.833 16.710 1.00 0.00 H new ATOM 0 HA GLN A 80 -7.969 -0.033 16.121 1.00 0.00 H new ATOM 0 HB2 GLN A 80 -7.647 -1.295 18.405 1.00 0.00 H new ATOM 0 HB3 GLN A 80 -6.798 0.148 18.922 1.00 0.00 H new ATOM 0 HG2 GLN A 80 -8.834 1.500 18.353 1.00 0.00 H new ATOM 0 HG3 GLN A 80 -9.674 0.015 17.954 1.00 0.00 H new ATOM 0 HE21 GLN A 80 -11.237 0.640 19.590 1.00 0.00 H new ATOM 0 HE22 GLN A 80 -10.894 0.317 21.292 1.00 0.00 H new ATOM 1307 N GLY A 81 -7.415 2.424 16.601 1.00 0.00 N ATOM 1308 CA GLY A 81 -6.968 3.796 16.523 1.00 0.00 C ATOM 1309 C GLY A 81 -7.901 4.699 15.745 1.00 0.00 C ATOM 1310 O GLY A 81 -9.012 4.988 16.187 1.00 0.00 O ATOM 0 H GLY A 81 -8.427 2.298 16.571 1.00 0.00 H new ATOM 0 HA2 GLY A 81 -6.855 4.190 17.533 1.00 0.00 H new ATOM 0 HA3 GLY A 81 -5.982 3.821 16.059 1.00 0.00 H new ATOM 1314 N LYS A 82 -7.437 5.168 14.592 1.00 0.00 N ATOM 1315 CA LYS A 82 -8.224 6.069 13.767 1.00 0.00 C ATOM 1316 C LYS A 82 -7.860 5.947 12.291 1.00 0.00 C ATOM 1317 O LYS A 82 -7.854 6.940 11.566 1.00 0.00 O ATOM 1318 CB LYS A 82 -7.999 7.503 14.238 1.00 0.00 C ATOM 1319 CG LYS A 82 -9.081 8.474 13.801 1.00 0.00 C ATOM 1320 CD LYS A 82 -9.323 9.536 14.861 1.00 0.00 C ATOM 1321 CE LYS A 82 -10.320 9.060 15.904 1.00 0.00 C ATOM 1322 NZ LYS A 82 -10.798 10.176 16.766 1.00 0.00 N ATOM 0 H LYS A 82 -6.520 4.938 14.210 1.00 0.00 H new ATOM 0 HA LYS A 82 -9.275 5.798 13.871 1.00 0.00 H new ATOM 0 HB2 LYS A 82 -7.936 7.511 15.326 1.00 0.00 H new ATOM 0 HB3 LYS A 82 -7.038 7.852 13.860 1.00 0.00 H new ATOM 0 HG2 LYS A 82 -8.790 8.950 12.865 1.00 0.00 H new ATOM 0 HG3 LYS A 82 -10.006 7.930 13.609 1.00 0.00 H new ATOM 0 HD2 LYS A 82 -8.380 9.790 15.346 1.00 0.00 H new ATOM 0 HD3 LYS A 82 -9.694 10.446 14.389 1.00 0.00 H new ATOM 0 HE2 LYS A 82 -11.171 8.595 15.407 1.00 0.00 H new ATOM 0 HE3 LYS A 82 -9.857 8.294 16.526 1.00 0.00 H new ATOM 0 HZ1 LYS A 82 -11.476 9.809 17.464 1.00 0.00 H new ATOM 0 HZ2 LYS A 82 -9.989 10.604 17.261 1.00 0.00 H new ATOM 0 HZ3 LYS A 82 -11.263 10.896 16.176 1.00 0.00 H new ATOM 1336 N PHE A 83 -7.575 4.730 11.844 1.00 0.00 N ATOM 1337 CA PHE A 83 -7.239 4.496 10.446 1.00 0.00 C ATOM 1338 C PHE A 83 -8.384 3.756 9.768 1.00 0.00 C ATOM 1339 O PHE A 83 -8.173 2.810 9.010 1.00 0.00 O ATOM 1340 CB PHE A 83 -5.933 3.707 10.329 1.00 0.00 C ATOM 1341 CG PHE A 83 -4.739 4.555 9.969 1.00 0.00 C ATOM 1342 CD1 PHE A 83 -4.715 5.915 10.250 1.00 0.00 C ATOM 1343 CD2 PHE A 83 -3.643 3.989 9.344 1.00 0.00 C ATOM 1344 CE1 PHE A 83 -3.619 6.687 9.913 1.00 0.00 C ATOM 1345 CE2 PHE A 83 -2.545 4.756 9.005 1.00 0.00 C ATOM 1346 CZ PHE A 83 -2.533 6.106 9.289 1.00 0.00 C ATOM 0 H PHE A 83 -7.570 3.893 12.427 1.00 0.00 H new ATOM 0 HA PHE A 83 -7.092 5.454 9.947 1.00 0.00 H new ATOM 0 HB2 PHE A 83 -5.737 3.204 11.276 1.00 0.00 H new ATOM 0 HB3 PHE A 83 -6.055 2.930 9.575 1.00 0.00 H new ATOM 0 HD1 PHE A 83 -5.562 6.375 10.737 1.00 0.00 H new ATOM 0 HD2 PHE A 83 -3.645 2.933 9.118 1.00 0.00 H new ATOM 0 HE1 PHE A 83 -3.612 7.743 10.138 1.00 0.00 H new ATOM 0 HE2 PHE A 83 -1.696 4.299 8.518 1.00 0.00 H new ATOM 0 HZ PHE A 83 -1.676 6.707 9.024 1.00 0.00 H new ATOM 1356 N THR A 84 -9.600 4.210 10.055 1.00 0.00 N ATOM 1357 CA THR A 84 -10.803 3.617 9.489 1.00 0.00 C ATOM 1358 C THR A 84 -11.017 4.124 8.071 1.00 0.00 C ATOM 1359 O THR A 84 -11.836 5.009 7.828 1.00 0.00 O ATOM 1360 CB THR A 84 -12.011 3.944 10.366 1.00 0.00 C ATOM 1361 OG1 THR A 84 -12.420 5.288 10.192 1.00 0.00 O ATOM 1362 CG2 THR A 84 -11.749 3.729 11.842 1.00 0.00 C ATOM 0 H THR A 84 -9.777 4.994 10.683 1.00 0.00 H new ATOM 0 HA THR A 84 -10.684 2.534 9.454 1.00 0.00 H new ATOM 0 HB THR A 84 -12.793 3.256 10.044 1.00 0.00 H new ATOM 0 HG1 THR A 84 -11.642 5.840 9.968 1.00 0.00 H new ATOM 0 HG21 THR A 84 -12.645 3.979 12.411 1.00 0.00 H new ATOM 0 HG22 THR A 84 -11.487 2.685 12.017 1.00 0.00 H new ATOM 0 HG23 THR A 84 -10.926 4.368 12.162 1.00 0.00 H new ATOM 1370 N HIS A 85 -10.249 3.567 7.145 1.00 0.00 N ATOM 1371 CA HIS A 85 -10.312 3.958 5.741 1.00 0.00 C ATOM 1372 C HIS A 85 -10.116 5.464 5.599 1.00 0.00 C ATOM 1373 O HIS A 85 -10.716 6.106 4.737 1.00 0.00 O ATOM 1374 CB HIS A 85 -11.679 3.566 5.166 1.00 0.00 C ATOM 1375 CG HIS A 85 -11.628 2.469 4.157 1.00 0.00 C ATOM 1376 ND1 HIS A 85 -12.698 2.136 3.358 1.00 0.00 N ATOM 1377 CD2 HIS A 85 -10.635 1.619 3.825 1.00 0.00 C ATOM 1378 CE1 HIS A 85 -12.366 1.125 2.579 1.00 0.00 C ATOM 1379 NE2 HIS A 85 -11.116 0.790 2.845 1.00 0.00 N ATOM 0 H HIS A 85 -9.567 2.835 7.343 1.00 0.00 H new ATOM 0 HA HIS A 85 -9.519 3.447 5.196 1.00 0.00 H new ATOM 0 HB2 HIS A 85 -12.331 3.261 5.985 1.00 0.00 H new ATOM 0 HB3 HIS A 85 -12.133 4.445 4.708 1.00 0.00 H new ATOM 0 HD2 HIS A 85 -9.643 1.596 4.252 1.00 0.00 H new ATOM 0 HE1 HIS A 85 -13.006 0.652 1.849 1.00 0.00 H new ATOM 0 HE2 HIS A 85 -10.594 0.038 2.395 1.00 0.00 H new ATOM 1387 N PHE A 86 -9.253 6.015 6.442 1.00 0.00 N ATOM 1388 CA PHE A 86 -8.952 7.438 6.405 1.00 0.00 C ATOM 1389 C PHE A 86 -7.721 7.733 5.557 1.00 0.00 C ATOM 1390 O PHE A 86 -7.820 8.004 4.360 1.00 0.00 O ATOM 1391 CB PHE A 86 -8.789 7.991 7.820 1.00 0.00 C ATOM 1392 CG PHE A 86 -10.098 8.173 8.533 1.00 0.00 C ATOM 1393 CD1 PHE A 86 -11.152 8.838 7.922 1.00 0.00 C ATOM 1394 CD2 PHE A 86 -10.278 7.679 9.812 1.00 0.00 C ATOM 1395 CE1 PHE A 86 -12.358 9.003 8.578 1.00 0.00 C ATOM 1396 CE2 PHE A 86 -11.479 7.842 10.473 1.00 0.00 C ATOM 1397 CZ PHE A 86 -12.520 8.504 9.856 1.00 0.00 C ATOM 0 H PHE A 86 -8.749 5.496 7.161 1.00 0.00 H new ATOM 0 HA PHE A 86 -9.796 7.942 5.934 1.00 0.00 H new ATOM 0 HB2 PHE A 86 -8.158 7.316 8.398 1.00 0.00 H new ATOM 0 HB3 PHE A 86 -8.271 8.949 7.772 1.00 0.00 H new ATOM 0 HD1 PHE A 86 -11.029 9.231 6.924 1.00 0.00 H new ATOM 0 HD2 PHE A 86 -9.468 7.158 10.301 1.00 0.00 H new ATOM 0 HE1 PHE A 86 -13.172 9.521 8.092 1.00 0.00 H new ATOM 0 HE2 PHE A 86 -11.603 7.452 11.472 1.00 0.00 H new ATOM 0 HZ PHE A 86 -13.460 8.632 10.371 1.00 0.00 H new ATOM 1407 N LEU A 87 -6.559 7.690 6.210 1.00 0.00 N ATOM 1408 CA LEU A 87 -5.289 7.964 5.560 1.00 0.00 C ATOM 1409 C LEU A 87 -4.889 6.812 4.657 1.00 0.00 C ATOM 1410 O LEU A 87 -4.250 7.013 3.623 1.00 0.00 O ATOM 1411 CB LEU A 87 -4.205 8.220 6.614 1.00 0.00 C ATOM 1412 CG LEU A 87 -4.500 9.375 7.580 1.00 0.00 C ATOM 1413 CD1 LEU A 87 -5.487 8.950 8.652 1.00 0.00 C ATOM 1414 CD2 LEU A 87 -3.219 9.886 8.222 1.00 0.00 C ATOM 0 H LEU A 87 -6.478 7.464 7.201 1.00 0.00 H new ATOM 0 HA LEU A 87 -5.399 8.856 4.943 1.00 0.00 H new ATOM 0 HB2 LEU A 87 -4.061 7.309 7.194 1.00 0.00 H new ATOM 0 HB3 LEU A 87 -3.264 8.425 6.103 1.00 0.00 H new ATOM 0 HG LEU A 87 -4.946 10.184 7.001 1.00 0.00 H new ATOM 0 HD11 LEU A 87 -5.678 9.787 9.323 1.00 0.00 H new ATOM 0 HD12 LEU A 87 -6.421 8.639 8.184 1.00 0.00 H new ATOM 0 HD13 LEU A 87 -5.071 8.118 9.220 1.00 0.00 H new ATOM 0 HD21 LEU A 87 -3.454 10.704 8.902 1.00 0.00 H new ATOM 0 HD22 LEU A 87 -2.743 9.078 8.777 1.00 0.00 H new ATOM 0 HD23 LEU A 87 -2.541 10.242 7.447 1.00 0.00 H new ATOM 1426 N ILE A 88 -5.269 5.603 5.047 1.00 0.00 N ATOM 1427 CA ILE A 88 -4.949 4.434 4.252 1.00 0.00 C ATOM 1428 C ILE A 88 -5.751 4.441 2.956 1.00 0.00 C ATOM 1429 O ILE A 88 -5.186 4.501 1.872 1.00 0.00 O ATOM 1430 CB ILE A 88 -5.239 3.120 5.014 1.00 0.00 C ATOM 1431 CG1 ILE A 88 -4.577 3.139 6.413 1.00 0.00 C ATOM 1432 CG2 ILE A 88 -4.763 1.935 4.180 1.00 0.00 C ATOM 1433 CD1 ILE A 88 -4.440 1.775 7.070 1.00 0.00 C ATOM 0 H ILE A 88 -5.794 5.411 5.900 1.00 0.00 H new ATOM 0 HA ILE A 88 -3.882 4.478 4.034 1.00 0.00 H new ATOM 0 HB ILE A 88 -6.313 3.021 5.171 1.00 0.00 H new ATOM 0 HG12 ILE A 88 -3.587 3.586 6.325 1.00 0.00 H new ATOM 0 HG13 ILE A 88 -5.162 3.785 7.068 1.00 0.00 H new ATOM 0 HG21 ILE A 88 -4.967 1.008 4.716 1.00 0.00 H new ATOM 0 HG22 ILE A 88 -5.290 1.926 3.226 1.00 0.00 H new ATOM 0 HG23 ILE A 88 -3.691 2.023 4.001 1.00 0.00 H new ATOM 0 HD11 ILE A 88 -3.966 1.887 8.045 1.00 0.00 H new ATOM 0 HD12 ILE A 88 -5.427 1.331 7.195 1.00 0.00 H new ATOM 0 HD13 ILE A 88 -3.828 1.128 6.441 1.00 0.00 H new ATOM 1445 N ASN A 89 -7.075 4.394 3.081 1.00 0.00 N ATOM 1446 CA ASN A 89 -7.963 4.392 1.921 1.00 0.00 C ATOM 1447 C ASN A 89 -7.677 5.543 0.954 1.00 0.00 C ATOM 1448 O ASN A 89 -7.672 5.346 -0.261 1.00 0.00 O ATOM 1449 CB ASN A 89 -9.422 4.454 2.376 1.00 0.00 C ATOM 1450 CG ASN A 89 -10.375 3.899 1.336 1.00 0.00 C ATOM 1451 OD1 ASN A 89 -9.981 3.126 0.465 1.00 0.00 O ATOM 1452 ND2 ASN A 89 -11.639 4.296 1.424 1.00 0.00 N ATOM 0 H ASN A 89 -7.559 4.357 3.978 1.00 0.00 H new ATOM 0 HA ASN A 89 -7.777 3.462 1.383 1.00 0.00 H new ATOM 0 HB2 ASN A 89 -9.535 3.894 3.304 1.00 0.00 H new ATOM 0 HB3 ASN A 89 -9.688 5.488 2.594 1.00 0.00 H new ATOM 0 HD21 ASN A 89 -12.328 3.958 0.752 1.00 0.00 H new ATOM 0 HD22 ASN A 89 -11.921 4.939 2.164 1.00 0.00 H new ATOM 1459 N GLU A 90 -7.460 6.747 1.483 1.00 0.00 N ATOM 1460 CA GLU A 90 -7.202 7.905 0.631 1.00 0.00 C ATOM 1461 C GLU A 90 -5.898 7.743 -0.146 1.00 0.00 C ATOM 1462 O GLU A 90 -5.822 8.097 -1.323 1.00 0.00 O ATOM 1463 CB GLU A 90 -7.184 9.200 1.456 1.00 0.00 C ATOM 1464 CG GLU A 90 -6.063 9.267 2.478 1.00 0.00 C ATOM 1465 CD GLU A 90 -5.034 10.335 2.155 1.00 0.00 C ATOM 1466 OE1 GLU A 90 -5.423 11.515 2.027 1.00 0.00 O ATOM 1467 OE2 GLU A 90 -3.840 9.990 2.033 1.00 0.00 O ATOM 0 H GLU A 90 -7.458 6.944 2.484 1.00 0.00 H new ATOM 0 HA GLU A 90 -8.016 7.971 -0.091 1.00 0.00 H new ATOM 0 HB2 GLU A 90 -7.095 10.049 0.778 1.00 0.00 H new ATOM 0 HB3 GLU A 90 -8.139 9.303 1.972 1.00 0.00 H new ATOM 0 HG2 GLU A 90 -6.487 9.464 3.463 1.00 0.00 H new ATOM 0 HG3 GLU A 90 -5.568 8.297 2.532 1.00 0.00 H new ATOM 1474 N ARG A 91 -4.874 7.202 0.502 1.00 0.00 N ATOM 1475 CA ARG A 91 -3.590 6.999 -0.156 1.00 0.00 C ATOM 1476 C ARG A 91 -3.661 5.836 -1.139 1.00 0.00 C ATOM 1477 O ARG A 91 -3.199 5.945 -2.275 1.00 0.00 O ATOM 1478 CB ARG A 91 -2.496 6.744 0.875 1.00 0.00 C ATOM 1479 CG ARG A 91 -1.422 7.821 0.915 1.00 0.00 C ATOM 1480 CD ARG A 91 -0.370 7.606 -0.165 1.00 0.00 C ATOM 1481 NE ARG A 91 0.008 8.861 -0.817 1.00 0.00 N ATOM 1482 CZ ARG A 91 1.135 9.533 -0.568 1.00 0.00 C ATOM 1483 NH1 ARG A 91 2.017 9.080 0.317 1.00 0.00 N ATOM 1484 NH2 ARG A 91 1.378 10.667 -1.212 1.00 0.00 N ATOM 0 H ARG A 91 -4.907 6.898 1.475 1.00 0.00 H new ATOM 0 HA ARG A 91 -3.349 7.906 -0.710 1.00 0.00 H new ATOM 0 HB2 ARG A 91 -2.952 6.663 1.862 1.00 0.00 H new ATOM 0 HB3 ARG A 91 -2.026 5.784 0.661 1.00 0.00 H new ATOM 0 HG2 ARG A 91 -1.883 8.800 0.784 1.00 0.00 H new ATOM 0 HG3 ARG A 91 -0.944 7.822 1.894 1.00 0.00 H new ATOM 0 HD2 ARG A 91 0.514 7.145 0.276 1.00 0.00 H new ATOM 0 HD3 ARG A 91 -0.753 6.910 -0.911 1.00 0.00 H new ATOM 0 HE ARG A 91 -0.633 9.249 -1.509 1.00 0.00 H new ATOM 0 HH11 ARG A 91 1.837 8.209 0.816 1.00 0.00 H new ATOM 0 HH12 ARG A 91 2.874 9.604 0.497 1.00 0.00 H new ATOM 0 HH21 ARG A 91 0.706 11.021 -1.893 1.00 0.00 H new ATOM 0 HH22 ARG A 91 2.237 11.185 -1.026 1.00 0.00 H new ATOM 1498 N ILE A 92 -4.245 4.721 -0.699 1.00 0.00 N ATOM 1499 CA ILE A 92 -4.377 3.545 -1.552 1.00 0.00 C ATOM 1500 C ILE A 92 -5.079 3.921 -2.853 1.00 0.00 C ATOM 1501 O ILE A 92 -4.560 3.695 -3.943 1.00 0.00 O ATOM 1502 CB ILE A 92 -5.196 2.416 -0.884 1.00 0.00 C ATOM 1503 CG1 ILE A 92 -4.689 2.106 0.522 1.00 0.00 C ATOM 1504 CG2 ILE A 92 -5.155 1.165 -1.743 1.00 0.00 C ATOM 1505 CD1 ILE A 92 -3.318 1.497 0.543 1.00 0.00 C ATOM 0 H ILE A 92 -4.632 4.610 0.238 1.00 0.00 H new ATOM 0 HA ILE A 92 -3.366 3.182 -1.736 1.00 0.00 H new ATOM 0 HB ILE A 92 -6.226 2.760 -0.795 1.00 0.00 H new ATOM 0 HG12 ILE A 92 -4.678 3.026 1.107 1.00 0.00 H new ATOM 0 HG13 ILE A 92 -5.387 1.426 1.010 1.00 0.00 H new ATOM 0 HG21 ILE A 92 -5.735 0.376 -1.264 1.00 0.00 H new ATOM 0 HG22 ILE A 92 -5.579 1.383 -2.723 1.00 0.00 H new ATOM 0 HG23 ILE A 92 -4.122 0.837 -1.859 1.00 0.00 H new ATOM 0 HD11 ILE A 92 -3.022 1.303 1.574 1.00 0.00 H new ATOM 0 HD12 ILE A 92 -3.327 0.560 -0.014 1.00 0.00 H new ATOM 0 HD13 ILE A 92 -2.607 2.185 0.084 1.00 0.00 H new ATOM 1517 N GLU A 93 -6.278 4.485 -2.711 1.00 0.00 N ATOM 1518 CA GLU A 93 -7.087 4.896 -3.856 1.00 0.00 C ATOM 1519 C GLU A 93 -6.336 5.893 -4.731 1.00 0.00 C ATOM 1520 O GLU A 93 -6.505 5.912 -5.951 1.00 0.00 O ATOM 1521 CB GLU A 93 -8.410 5.505 -3.382 1.00 0.00 C ATOM 1522 CG GLU A 93 -9.410 5.744 -4.506 1.00 0.00 C ATOM 1523 CD GLU A 93 -10.693 4.947 -4.341 1.00 0.00 C ATOM 1524 OE1 GLU A 93 -10.780 4.142 -3.389 1.00 0.00 O ATOM 1525 OE2 GLU A 93 -11.611 5.126 -5.168 1.00 0.00 O ATOM 0 H GLU A 93 -6.712 4.668 -1.807 1.00 0.00 H new ATOM 0 HA GLU A 93 -7.297 4.009 -4.454 1.00 0.00 H new ATOM 0 HB2 GLU A 93 -8.860 4.844 -2.642 1.00 0.00 H new ATOM 0 HB3 GLU A 93 -8.206 6.452 -2.882 1.00 0.00 H new ATOM 0 HG2 GLU A 93 -9.652 6.806 -4.549 1.00 0.00 H new ATOM 0 HG3 GLU A 93 -8.947 5.483 -5.458 1.00 0.00 H new ATOM 1532 N ASP A 94 -5.508 6.724 -4.109 1.00 0.00 N ATOM 1533 CA ASP A 94 -4.742 7.720 -4.848 1.00 0.00 C ATOM 1534 C ASP A 94 -3.793 7.052 -5.839 1.00 0.00 C ATOM 1535 O ASP A 94 -3.629 7.518 -6.964 1.00 0.00 O ATOM 1536 CB ASP A 94 -3.948 8.608 -3.889 1.00 0.00 C ATOM 1537 CG ASP A 94 -3.984 10.070 -4.291 1.00 0.00 C ATOM 1538 OD1 ASP A 94 -3.856 10.358 -5.500 1.00 0.00 O ATOM 1539 OD2 ASP A 94 -4.140 10.925 -3.395 1.00 0.00 O ATOM 0 H ASP A 94 -5.350 6.728 -3.101 1.00 0.00 H new ATOM 0 HA ASP A 94 -5.447 8.339 -5.403 1.00 0.00 H new ATOM 0 HB2 ASP A 94 -4.350 8.501 -2.882 1.00 0.00 H new ATOM 0 HB3 ASP A 94 -2.913 8.268 -3.856 1.00 0.00 H new ATOM 1544 N TYR A 95 -3.167 5.962 -5.406 1.00 0.00 N ATOM 1545 CA TYR A 95 -2.228 5.227 -6.244 1.00 0.00 C ATOM 1546 C TYR A 95 -2.946 4.192 -7.113 1.00 0.00 C ATOM 1547 O TYR A 95 -2.859 4.237 -8.337 1.00 0.00 O ATOM 1548 CB TYR A 95 -1.168 4.543 -5.378 1.00 0.00 C ATOM 1549 CG TYR A 95 0.161 5.265 -5.356 1.00 0.00 C ATOM 1550 CD1 TYR A 95 0.743 5.726 -6.531 1.00 0.00 C ATOM 1551 CD2 TYR A 95 0.836 5.486 -4.161 1.00 0.00 C ATOM 1552 CE1 TYR A 95 1.957 6.386 -6.517 1.00 0.00 C ATOM 1553 CE2 TYR A 95 2.052 6.145 -4.138 1.00 0.00 C ATOM 1554 CZ TYR A 95 2.607 6.592 -5.318 1.00 0.00 C ATOM 1555 OH TYR A 95 3.817 7.249 -5.300 1.00 0.00 O ATOM 0 H TYR A 95 -3.295 5.567 -4.474 1.00 0.00 H new ATOM 0 HA TYR A 95 -1.742 5.943 -6.907 1.00 0.00 H new ATOM 0 HB2 TYR A 95 -1.543 4.461 -4.358 1.00 0.00 H new ATOM 0 HB3 TYR A 95 -1.013 3.528 -5.743 1.00 0.00 H new ATOM 0 HD1 TYR A 95 0.237 5.566 -7.472 1.00 0.00 H new ATOM 0 HD2 TYR A 95 0.404 5.137 -3.235 1.00 0.00 H new ATOM 0 HE1 TYR A 95 2.394 6.738 -7.439 1.00 0.00 H new ATOM 0 HE2 TYR A 95 2.564 6.308 -3.201 1.00 0.00 H new ATOM 0 HH TYR A 95 4.141 7.313 -4.377 1.00 0.00 H new ATOM 1565 N VAL A 96 -3.647 3.255 -6.476 1.00 0.00 N ATOM 1566 CA VAL A 96 -4.361 2.215 -7.209 1.00 0.00 C ATOM 1567 C VAL A 96 -5.336 2.821 -8.217 1.00 0.00 C ATOM 1568 O VAL A 96 -5.395 2.391 -9.370 1.00 0.00 O ATOM 1569 CB VAL A 96 -5.099 1.232 -6.257 1.00 0.00 C ATOM 1570 CG1 VAL A 96 -4.120 0.638 -5.253 1.00 0.00 C ATOM 1571 CG2 VAL A 96 -6.262 1.897 -5.524 1.00 0.00 C ATOM 0 H VAL A 96 -3.735 3.196 -5.461 1.00 0.00 H new ATOM 0 HA VAL A 96 -3.612 1.642 -7.755 1.00 0.00 H new ATOM 0 HB VAL A 96 -5.517 0.437 -6.875 1.00 0.00 H new ATOM 0 HG11 VAL A 96 -4.649 -0.049 -4.592 1.00 0.00 H new ATOM 0 HG12 VAL A 96 -3.336 0.099 -5.785 1.00 0.00 H new ATOM 0 HG13 VAL A 96 -3.674 1.438 -4.663 1.00 0.00 H new ATOM 0 HG21 VAL A 96 -6.745 1.169 -4.872 1.00 0.00 H new ATOM 0 HG22 VAL A 96 -5.888 2.728 -4.926 1.00 0.00 H new ATOM 0 HG23 VAL A 96 -6.985 2.269 -6.250 1.00 0.00 H new ATOM 1581 N ASN A 97 -6.083 3.839 -7.794 1.00 0.00 N ATOM 1582 CA ASN A 97 -7.026 4.507 -8.677 1.00 0.00 C ATOM 1583 C ASN A 97 -6.566 5.930 -8.994 1.00 0.00 C ATOM 1584 O ASN A 97 -7.320 6.885 -8.823 1.00 0.00 O ATOM 1585 CB ASN A 97 -8.427 4.526 -8.055 1.00 0.00 C ATOM 1586 CG ASN A 97 -9.386 3.596 -8.777 1.00 0.00 C ATOM 1587 OD1 ASN A 97 -10.120 2.834 -8.147 1.00 0.00 O ATOM 1588 ND2 ASN A 97 -9.380 3.650 -10.106 1.00 0.00 N ATOM 0 H ASN A 97 -6.051 4.216 -6.847 1.00 0.00 H new ATOM 0 HA ASN A 97 -7.067 3.946 -9.611 1.00 0.00 H new ATOM 0 HB2 ASN A 97 -8.361 4.235 -7.007 1.00 0.00 H new ATOM 0 HB3 ASN A 97 -8.820 5.542 -8.080 1.00 0.00 H new ATOM 0 HD21 ASN A 97 -10.000 3.045 -10.644 1.00 0.00 H new ATOM 0 HD22 ASN A 97 -8.755 4.297 -10.587 1.00 0.00 H new ATOM 1595 N LYS A 98 -5.330 6.072 -9.464 1.00 0.00 N ATOM 1596 CA LYS A 98 -4.795 7.392 -9.806 1.00 0.00 C ATOM 1597 C LYS A 98 -5.269 7.840 -11.189 1.00 0.00 C ATOM 1598 O LYS A 98 -4.924 8.927 -11.650 1.00 0.00 O ATOM 1599 CB LYS A 98 -3.261 7.384 -9.754 1.00 0.00 C ATOM 1600 CG LYS A 98 -2.599 6.723 -10.955 1.00 0.00 C ATOM 1601 CD LYS A 98 -1.629 5.638 -10.522 1.00 0.00 C ATOM 1602 CE LYS A 98 -0.751 5.174 -11.670 1.00 0.00 C ATOM 1603 NZ LYS A 98 -0.484 3.710 -11.599 1.00 0.00 N ATOM 0 H LYS A 98 -4.683 5.299 -9.617 1.00 0.00 H new ATOM 0 HA LYS A 98 -5.170 8.102 -9.069 1.00 0.00 H new ATOM 0 HB2 LYS A 98 -2.906 8.412 -9.678 1.00 0.00 H new ATOM 0 HB3 LYS A 98 -2.942 6.868 -8.848 1.00 0.00 H new ATOM 0 HG2 LYS A 98 -3.363 6.293 -11.603 1.00 0.00 H new ATOM 0 HG3 LYS A 98 -2.070 7.475 -11.541 1.00 0.00 H new ATOM 0 HD2 LYS A 98 -1.002 6.013 -9.714 1.00 0.00 H new ATOM 0 HD3 LYS A 98 -2.187 4.790 -10.125 1.00 0.00 H new ATOM 0 HE2 LYS A 98 -1.235 5.411 -12.618 1.00 0.00 H new ATOM 0 HE3 LYS A 98 0.193 5.718 -11.650 1.00 0.00 H new ATOM 0 HZ1 LYS A 98 0.119 3.428 -12.398 1.00 0.00 H new ATOM 0 HZ2 LYS A 98 -0.000 3.488 -10.706 1.00 0.00 H new ATOM 0 HZ3 LYS A 98 -1.384 3.190 -11.644 1.00 0.00 H new ATOM 1617 N PHE A 99 -6.060 6.997 -11.848 1.00 0.00 N ATOM 1618 CA PHE A 99 -6.574 7.307 -13.177 1.00 0.00 C ATOM 1619 C PHE A 99 -7.547 8.482 -13.135 1.00 0.00 C ATOM 1620 O PHE A 99 -7.375 9.468 -13.853 1.00 0.00 O ATOM 1621 CB PHE A 99 -7.266 6.080 -13.773 1.00 0.00 C ATOM 1622 CG PHE A 99 -7.717 6.275 -15.190 1.00 0.00 C ATOM 1623 CD1 PHE A 99 -6.805 6.233 -16.231 1.00 0.00 C ATOM 1624 CD2 PHE A 99 -9.054 6.504 -15.480 1.00 0.00 C ATOM 1625 CE1 PHE A 99 -7.216 6.413 -17.537 1.00 0.00 C ATOM 1626 CE2 PHE A 99 -9.470 6.686 -16.785 1.00 0.00 C ATOM 1627 CZ PHE A 99 -8.550 6.640 -17.815 1.00 0.00 C ATOM 0 H PHE A 99 -6.359 6.093 -11.482 1.00 0.00 H new ATOM 0 HA PHE A 99 -5.729 7.587 -13.806 1.00 0.00 H new ATOM 0 HB2 PHE A 99 -6.583 5.232 -13.731 1.00 0.00 H new ATOM 0 HB3 PHE A 99 -8.129 5.825 -13.158 1.00 0.00 H new ATOM 0 HD1 PHE A 99 -5.761 6.058 -16.019 1.00 0.00 H new ATOM 0 HD2 PHE A 99 -9.777 6.540 -14.678 1.00 0.00 H new ATOM 0 HE1 PHE A 99 -6.495 6.376 -18.340 1.00 0.00 H new ATOM 0 HE2 PHE A 99 -10.513 6.864 -17.000 1.00 0.00 H new ATOM 0 HZ PHE A 99 -8.873 6.781 -18.836 1.00 0.00 H new ATOM 1637 N VAL A 100 -8.574 8.365 -12.300 1.00 0.00 N ATOM 1638 CA VAL A 100 -9.580 9.412 -12.172 1.00 0.00 C ATOM 1639 C VAL A 100 -9.172 10.453 -11.134 1.00 0.00 C ATOM 1640 O VAL A 100 -9.570 11.615 -11.219 1.00 0.00 O ATOM 1641 CB VAL A 100 -10.955 8.823 -11.788 1.00 0.00 C ATOM 1642 CG1 VAL A 100 -10.848 8.004 -10.510 1.00 0.00 C ATOM 1643 CG2 VAL A 100 -11.993 9.927 -11.640 1.00 0.00 C ATOM 0 H VAL A 100 -8.731 7.554 -11.701 1.00 0.00 H new ATOM 0 HA VAL A 100 -9.658 9.895 -13.146 1.00 0.00 H new ATOM 0 HB VAL A 100 -11.280 8.161 -12.590 1.00 0.00 H new ATOM 0 HG11 VAL A 100 -11.827 7.597 -10.256 1.00 0.00 H new ATOM 0 HG12 VAL A 100 -10.143 7.186 -10.660 1.00 0.00 H new ATOM 0 HG13 VAL A 100 -10.498 8.641 -9.698 1.00 0.00 H new ATOM 0 HG21 VAL A 100 -12.954 9.489 -11.369 1.00 0.00 H new ATOM 0 HG22 VAL A 100 -11.678 10.621 -10.861 1.00 0.00 H new ATOM 0 HG23 VAL A 100 -12.092 10.463 -12.584 1.00 0.00 H new ATOM 1653 N ILE A 101 -8.380 10.033 -10.154 1.00 0.00 N ATOM 1654 CA ILE A 101 -7.925 10.936 -9.103 1.00 0.00 C ATOM 1655 C ILE A 101 -6.817 11.852 -9.613 1.00 0.00 C ATOM 1656 O ILE A 101 -6.941 13.075 -9.569 1.00 0.00 O ATOM 1657 CB ILE A 101 -7.422 10.157 -7.871 1.00 0.00 C ATOM 1658 CG1 ILE A 101 -8.418 9.056 -7.503 1.00 0.00 C ATOM 1659 CG2 ILE A 101 -7.201 11.099 -6.695 1.00 0.00 C ATOM 1660 CD1 ILE A 101 -9.755 9.578 -7.028 1.00 0.00 C ATOM 0 H ILE A 101 -8.040 9.075 -10.065 1.00 0.00 H new ATOM 0 HA ILE A 101 -8.781 11.542 -8.807 1.00 0.00 H new ATOM 0 HB ILE A 101 -6.467 9.693 -8.116 1.00 0.00 H new ATOM 0 HG12 ILE A 101 -8.576 8.416 -8.371 1.00 0.00 H new ATOM 0 HG13 ILE A 101 -7.984 8.432 -6.722 1.00 0.00 H new ATOM 0 HG21 ILE A 101 -6.846 10.531 -5.835 1.00 0.00 H new ATOM 0 HG22 ILE A 101 -6.459 11.850 -6.965 1.00 0.00 H new ATOM 0 HG23 ILE A 101 -8.140 11.592 -6.442 1.00 0.00 H new ATOM 0 HD11 ILE A 101 -10.408 8.739 -6.786 1.00 0.00 H new ATOM 0 HD12 ILE A 101 -9.611 10.194 -6.140 1.00 0.00 H new ATOM 0 HD13 ILE A 101 -10.212 10.178 -7.815 1.00 0.00 H new ATOM 1672 N CYS A 102 -5.734 11.252 -10.098 1.00 0.00 N ATOM 1673 CA CYS A 102 -4.608 12.018 -10.619 1.00 0.00 C ATOM 1674 C CYS A 102 -4.820 12.388 -12.089 1.00 0.00 C ATOM 1675 O CYS A 102 -3.970 13.037 -12.701 1.00 0.00 O ATOM 1676 CB CYS A 102 -3.309 11.227 -10.465 1.00 0.00 C ATOM 1677 SG CYS A 102 -1.815 12.229 -10.638 1.00 0.00 S ATOM 0 H CYS A 102 -5.613 10.240 -10.141 1.00 0.00 H new ATOM 0 HA CYS A 102 -4.538 12.940 -10.041 1.00 0.00 H new ATOM 0 HB2 CYS A 102 -3.301 10.747 -9.486 1.00 0.00 H new ATOM 0 HB3 CYS A 102 -3.289 10.432 -11.210 1.00 0.00 H new ATOM 0 HG CYS A 102 -2.093 13.311 -11.303 1.00 0.00 H new ATOM 1682 N HIS A 103 -5.957 11.977 -12.648 1.00 0.00 N ATOM 1683 CA HIS A 103 -6.281 12.270 -14.043 1.00 0.00 C ATOM 1684 C HIS A 103 -5.296 11.593 -14.994 1.00 0.00 C ATOM 1685 O HIS A 103 -4.736 12.236 -15.884 1.00 0.00 O ATOM 1686 CB HIS A 103 -6.283 13.784 -14.283 1.00 0.00 C ATOM 1687 CG HIS A 103 -7.598 14.436 -13.993 1.00 0.00 C ATOM 1688 ND1 HIS A 103 -8.462 14.861 -14.979 1.00 0.00 N ATOM 1689 CD2 HIS A 103 -8.197 14.738 -12.816 1.00 0.00 C ATOM 1690 CE1 HIS A 103 -9.535 15.396 -14.425 1.00 0.00 C ATOM 1691 NE2 HIS A 103 -9.399 15.333 -13.113 1.00 0.00 N ATOM 0 H HIS A 103 -6.670 11.439 -12.155 1.00 0.00 H new ATOM 0 HA HIS A 103 -7.276 11.874 -14.244 1.00 0.00 H new ATOM 0 HB2 HIS A 103 -5.515 14.243 -13.661 1.00 0.00 H new ATOM 0 HB3 HIS A 103 -6.011 13.979 -15.320 1.00 0.00 H new ATOM 0 HD2 HIS A 103 -7.803 14.547 -11.829 1.00 0.00 H new ATOM 0 HE1 HIS A 103 -10.379 15.813 -14.954 1.00 0.00 H new ATOM 0 HE2 HIS A 103 -10.077 15.672 -12.430 1.00 0.00 H new ATOM 1699 N GLU A 104 -5.090 10.289 -14.798 1.00 0.00 N ATOM 1700 CA GLU A 104 -4.173 9.511 -15.633 1.00 0.00 C ATOM 1701 C GLU A 104 -2.888 10.283 -15.905 1.00 0.00 C ATOM 1702 O GLU A 104 -2.685 10.801 -17.003 1.00 0.00 O ATOM 1703 CB GLU A 104 -4.842 9.133 -16.957 1.00 0.00 C ATOM 1704 CG GLU A 104 -4.174 7.961 -17.660 1.00 0.00 C ATOM 1705 CD GLU A 104 -4.217 8.079 -19.173 1.00 0.00 C ATOM 1706 OE1 GLU A 104 -4.657 9.134 -19.676 1.00 0.00 O ATOM 1707 OE2 GLU A 104 -3.810 7.114 -19.853 1.00 0.00 O ATOM 0 H GLU A 104 -5.548 9.748 -14.065 1.00 0.00 H new ATOM 0 HA GLU A 104 -3.920 8.601 -15.089 1.00 0.00 H new ATOM 0 HB2 GLU A 104 -5.887 8.887 -16.770 1.00 0.00 H new ATOM 0 HB3 GLU A 104 -4.832 9.998 -17.620 1.00 0.00 H new ATOM 0 HG2 GLU A 104 -3.136 7.892 -17.335 1.00 0.00 H new ATOM 0 HG3 GLU A 104 -4.664 7.035 -17.358 1.00 0.00 H new ATOM 1714 N CYS A 105 -2.025 10.361 -14.900 1.00 0.00 N ATOM 1715 CA CYS A 105 -0.762 11.075 -15.033 1.00 0.00 C ATOM 1716 C CYS A 105 0.191 10.320 -15.953 1.00 0.00 C ATOM 1717 O CYS A 105 1.265 9.889 -15.534 1.00 0.00 O ATOM 1718 CB CYS A 105 -0.121 11.269 -13.655 1.00 0.00 C ATOM 1719 SG CYS A 105 0.682 12.872 -13.428 1.00 0.00 S ATOM 0 H CYS A 105 -2.177 9.939 -13.984 1.00 0.00 H new ATOM 0 HA CYS A 105 -0.963 12.052 -15.473 1.00 0.00 H new ATOM 0 HB2 CYS A 105 -0.888 11.148 -12.890 1.00 0.00 H new ATOM 0 HB3 CYS A 105 0.615 10.481 -13.495 1.00 0.00 H new ATOM 0 HG CYS A 105 -0.205 13.757 -13.081 1.00 0.00 H new ATOM 1724 N ASN A 106 -0.204 10.168 -17.214 1.00 0.00 N ATOM 1725 CA ASN A 106 0.617 9.475 -18.195 1.00 0.00 C ATOM 1726 C ASN A 106 1.822 10.342 -18.582 1.00 0.00 C ATOM 1727 O ASN A 106 2.752 10.494 -17.788 1.00 0.00 O ATOM 1728 CB ASN A 106 -0.238 9.103 -19.415 1.00 0.00 C ATOM 1729 CG ASN A 106 0.400 8.030 -20.274 1.00 0.00 C ATOM 1730 OD1 ASN A 106 0.933 8.429 -21.422 1.00 0.00 O flip ATOM 1731 ND2 ASN A 106 0.411 6.854 -19.911 1.00 0.00 N flip ATOM 0 H ASN A 106 -1.090 10.517 -17.579 1.00 0.00 H new ATOM 0 HA ASN A 106 1.005 8.552 -17.765 1.00 0.00 H new ATOM 0 HB2 ASN A 106 -1.215 8.758 -19.077 1.00 0.00 H new ATOM 0 HB3 ASN A 106 -0.407 9.994 -20.020 1.00 0.00 H new ATOM 0 HD21 ASN A 106 -0.011 6.591 -19.020 1.00 0.00 H new ATOM 0 HD22 ASN A 106 0.842 6.142 -20.501 1.00 0.00 H new ATOM 1738 N ARG A 107 1.807 10.925 -19.784 1.00 0.00 N ATOM 1739 CA ARG A 107 2.900 11.785 -20.230 1.00 0.00 C ATOM 1740 C ARG A 107 2.502 13.269 -20.229 1.00 0.00 C ATOM 1741 O ARG A 107 2.536 13.917 -21.274 1.00 0.00 O ATOM 1742 CB ARG A 107 3.351 11.377 -21.637 1.00 0.00 C ATOM 1743 CG ARG A 107 3.464 9.875 -21.835 1.00 0.00 C ATOM 1744 CD ARG A 107 4.832 9.482 -22.363 1.00 0.00 C ATOM 1745 NE ARG A 107 5.701 8.988 -21.299 1.00 0.00 N ATOM 1746 CZ ARG A 107 6.725 8.163 -21.501 1.00 0.00 C ATOM 1747 NH1 ARG A 107 7.019 7.747 -22.727 1.00 0.00 N ATOM 1748 NH2 ARG A 107 7.459 7.755 -20.475 1.00 0.00 N ATOM 0 H ARG A 107 1.052 10.816 -20.461 1.00 0.00 H new ATOM 0 HA ARG A 107 3.722 11.657 -19.525 1.00 0.00 H new ATOM 0 HB2 ARG A 107 2.645 11.778 -22.365 1.00 0.00 H new ATOM 0 HB3 ARG A 107 4.318 11.835 -21.845 1.00 0.00 H new ATOM 0 HG2 ARG A 107 3.279 9.368 -20.888 1.00 0.00 H new ATOM 0 HG3 ARG A 107 2.695 9.540 -22.531 1.00 0.00 H new ATOM 0 HD2 ARG A 107 4.720 8.713 -23.127 1.00 0.00 H new ATOM 0 HD3 ARG A 107 5.298 10.343 -22.843 1.00 0.00 H new ATOM 0 HE ARG A 107 5.512 9.293 -20.344 1.00 0.00 H new ATOM 0 HH11 ARG A 107 6.459 8.060 -23.520 1.00 0.00 H new ATOM 0 HH12 ARG A 107 7.805 7.115 -22.876 1.00 0.00 H new ATOM 0 HH21 ARG A 107 7.238 8.074 -19.531 1.00 0.00 H new ATOM 0 HH22 ARG A 107 8.244 7.122 -20.629 1.00 0.00 H new ATOM 1762 N PRO A 108 2.120 13.847 -19.071 1.00 0.00 N ATOM 1763 CA PRO A 108 1.735 15.258 -19.011 1.00 0.00 C ATOM 1764 C PRO A 108 2.804 16.168 -19.613 1.00 0.00 C ATOM 1765 O PRO A 108 3.990 15.839 -19.603 1.00 0.00 O ATOM 1766 CB PRO A 108 1.590 15.541 -17.516 1.00 0.00 C ATOM 1767 CG PRO A 108 1.375 14.214 -16.874 1.00 0.00 C ATOM 1768 CD PRO A 108 2.039 13.189 -17.754 1.00 0.00 C ATOM 0 HA PRO A 108 0.825 15.450 -19.580 1.00 0.00 H new ATOM 0 HB2 PRO A 108 2.482 16.027 -17.121 1.00 0.00 H new ATOM 0 HB3 PRO A 108 0.751 16.210 -17.324 1.00 0.00 H new ATOM 0 HG2 PRO A 108 1.802 14.197 -15.871 1.00 0.00 H new ATOM 0 HG3 PRO A 108 0.311 14.003 -16.771 1.00 0.00 H new ATOM 0 HD2 PRO A 108 3.027 12.922 -17.380 1.00 0.00 H new ATOM 0 HD3 PRO A 108 1.457 12.268 -17.803 1.00 0.00 H new ATOM 1776 N ASP A 109 2.375 17.317 -20.129 1.00 0.00 N ATOM 1777 CA ASP A 109 3.296 18.279 -20.731 1.00 0.00 C ATOM 1778 C ASP A 109 3.809 19.275 -19.688 1.00 0.00 C ATOM 1779 O ASP A 109 4.118 20.423 -20.010 1.00 0.00 O ATOM 1780 CB ASP A 109 2.601 19.031 -21.867 1.00 0.00 C ATOM 1781 CG ASP A 109 2.595 18.246 -23.165 1.00 0.00 C ATOM 1782 OD1 ASP A 109 3.690 17.970 -23.697 1.00 0.00 O ATOM 1783 OD2 ASP A 109 1.494 17.908 -23.650 1.00 0.00 O ATOM 0 H ASP A 109 1.397 17.605 -20.143 1.00 0.00 H new ATOM 0 HA ASP A 109 4.148 17.728 -21.130 1.00 0.00 H new ATOM 0 HB2 ASP A 109 1.574 19.254 -21.576 1.00 0.00 H new ATOM 0 HB3 ASP A 109 3.102 19.986 -22.026 1.00 0.00 H new ATOM 1788 N THR A 110 3.897 18.823 -18.440 1.00 0.00 N ATOM 1789 CA THR A 110 4.369 19.660 -17.341 1.00 0.00 C ATOM 1790 C THR A 110 5.588 19.035 -16.675 1.00 0.00 C ATOM 1791 O THR A 110 6.024 17.948 -17.052 1.00 0.00 O ATOM 1792 CB THR A 110 3.267 19.878 -16.308 1.00 0.00 C ATOM 1793 OG1 THR A 110 1.990 19.871 -16.927 1.00 0.00 O ATOM 1794 CG2 THR A 110 3.418 21.185 -15.557 1.00 0.00 C ATOM 0 H THR A 110 3.645 17.874 -18.163 1.00 0.00 H new ATOM 0 HA THR A 110 4.651 20.627 -17.757 1.00 0.00 H new ATOM 0 HB THR A 110 3.357 19.056 -15.598 1.00 0.00 H new ATOM 0 HG1 THR A 110 1.613 20.776 -16.910 1.00 0.00 H new ATOM 0 HG21 THR A 110 2.607 21.286 -14.836 1.00 0.00 H new ATOM 0 HG22 THR A 110 4.373 21.195 -15.032 1.00 0.00 H new ATOM 0 HG23 THR A 110 3.383 22.016 -16.262 1.00 0.00 H new ATOM 1802 N ARG A 111 6.147 19.737 -15.694 1.00 0.00 N ATOM 1803 CA ARG A 111 7.332 19.258 -14.996 1.00 0.00 C ATOM 1804 C ARG A 111 6.965 18.369 -13.810 1.00 0.00 C ATOM 1805 O ARG A 111 6.529 18.854 -12.766 1.00 0.00 O ATOM 1806 CB ARG A 111 8.149 20.450 -14.495 1.00 0.00 C ATOM 1807 CG ARG A 111 8.956 21.139 -15.581 1.00 0.00 C ATOM 1808 CD ARG A 111 10.434 21.185 -15.229 1.00 0.00 C ATOM 1809 NE ARG A 111 10.963 19.855 -14.936 1.00 0.00 N ATOM 1810 CZ ARG A 111 11.116 18.901 -15.851 1.00 0.00 C ATOM 1811 NH1 ARG A 111 10.810 19.135 -17.121 1.00 0.00 N ATOM 1812 NH2 ARG A 111 11.584 17.712 -15.496 1.00 0.00 N ATOM 0 H ARG A 111 5.798 20.638 -15.366 1.00 0.00 H new ATOM 0 HA ARG A 111 7.917 18.666 -15.700 1.00 0.00 H new ATOM 0 HB2 ARG A 111 7.474 21.176 -14.041 1.00 0.00 H new ATOM 0 HB3 ARG A 111 8.827 20.111 -13.712 1.00 0.00 H new ATOM 0 HG2 ARG A 111 8.822 20.612 -16.526 1.00 0.00 H new ATOM 0 HG3 ARG A 111 8.583 22.153 -15.726 1.00 0.00 H new ATOM 0 HD2 ARG A 111 10.991 21.624 -16.057 1.00 0.00 H new ATOM 0 HD3 ARG A 111 10.582 21.834 -14.366 1.00 0.00 H new ATOM 0 HE ARG A 111 11.231 19.646 -13.974 1.00 0.00 H new ATOM 0 HH11 ARG A 111 10.456 20.050 -17.400 1.00 0.00 H new ATOM 0 HH12 ARG A 111 10.929 18.400 -17.818 1.00 0.00 H new ATOM 0 HH21 ARG A 111 11.826 17.529 -14.522 1.00 0.00 H new ATOM 0 HH22 ARG A 111 11.702 16.980 -16.197 1.00 0.00 H new ATOM 1826 N ILE A 112 7.159 17.062 -13.986 1.00 0.00 N ATOM 1827 CA ILE A 112 6.866 16.082 -12.943 1.00 0.00 C ATOM 1828 C ILE A 112 8.154 15.442 -12.426 1.00 0.00 C ATOM 1829 O ILE A 112 9.052 15.120 -13.205 1.00 0.00 O ATOM 1830 CB ILE A 112 5.927 14.972 -13.462 1.00 0.00 C ATOM 1831 CG1 ILE A 112 4.689 15.583 -14.120 1.00 0.00 C ATOM 1832 CG2 ILE A 112 5.528 14.039 -12.327 1.00 0.00 C ATOM 1833 CD1 ILE A 112 4.676 15.436 -15.625 1.00 0.00 C ATOM 0 H ILE A 112 7.521 16.656 -14.849 1.00 0.00 H new ATOM 0 HA ILE A 112 6.370 16.614 -12.131 1.00 0.00 H new ATOM 0 HB ILE A 112 6.461 14.389 -14.213 1.00 0.00 H new ATOM 0 HG12 ILE A 112 3.797 15.111 -13.708 1.00 0.00 H new ATOM 0 HG13 ILE A 112 4.636 16.641 -13.865 1.00 0.00 H new ATOM 0 HG21 ILE A 112 4.866 13.262 -12.710 1.00 0.00 H new ATOM 0 HG22 ILE A 112 6.421 13.579 -11.904 1.00 0.00 H new ATOM 0 HG23 ILE A 112 5.011 14.607 -11.554 1.00 0.00 H new ATOM 0 HD11 ILE A 112 3.771 15.891 -16.027 1.00 0.00 H new ATOM 0 HD12 ILE A 112 5.550 15.933 -16.047 1.00 0.00 H new ATOM 0 HD13 ILE A 112 4.698 14.378 -15.887 1.00 0.00 H new ATOM 1845 N ILE A 113 8.241 15.256 -11.113 1.00 0.00 N ATOM 1846 CA ILE A 113 9.425 14.652 -10.504 1.00 0.00 C ATOM 1847 C ILE A 113 9.033 13.683 -9.398 1.00 0.00 C ATOM 1848 O ILE A 113 8.134 13.966 -8.611 1.00 0.00 O ATOM 1849 CB ILE A 113 10.371 15.710 -9.898 1.00 0.00 C ATOM 1850 CG1 ILE A 113 10.629 16.857 -10.879 1.00 0.00 C ATOM 1851 CG2 ILE A 113 11.682 15.061 -9.482 1.00 0.00 C ATOM 1852 CD1 ILE A 113 10.025 18.174 -10.441 1.00 0.00 C ATOM 0 H ILE A 113 7.509 15.513 -10.450 1.00 0.00 H new ATOM 0 HA ILE A 113 9.943 14.125 -11.305 1.00 0.00 H new ATOM 0 HB ILE A 113 9.887 16.131 -9.017 1.00 0.00 H new ATOM 0 HG12 ILE A 113 11.705 16.983 -11.003 1.00 0.00 H new ATOM 0 HG13 ILE A 113 10.225 16.588 -11.855 1.00 0.00 H new ATOM 0 HG21 ILE A 113 12.343 15.816 -9.056 1.00 0.00 H new ATOM 0 HG22 ILE A 113 11.486 14.289 -8.738 1.00 0.00 H new ATOM 0 HG23 ILE A 113 12.159 14.612 -10.354 1.00 0.00 H new ATOM 0 HD11 ILE A 113 10.247 18.941 -11.183 1.00 0.00 H new ATOM 0 HD12 ILE A 113 8.945 18.065 -10.344 1.00 0.00 H new ATOM 0 HD13 ILE A 113 10.448 18.466 -9.480 1.00 0.00 H new ATOM 1864 N ARG A 114 9.716 12.541 -9.343 1.00 0.00 N ATOM 1865 CA ARG A 114 9.438 11.529 -8.328 1.00 0.00 C ATOM 1866 C ARG A 114 10.692 11.183 -7.536 1.00 0.00 C ATOM 1867 O ARG A 114 11.718 10.810 -8.105 1.00 0.00 O ATOM 1868 CB ARG A 114 8.882 10.264 -8.980 1.00 0.00 C ATOM 1869 CG ARG A 114 8.079 9.395 -8.036 1.00 0.00 C ATOM 1870 CD ARG A 114 8.243 7.921 -8.363 1.00 0.00 C ATOM 1871 NE ARG A 114 8.103 7.641 -9.792 1.00 0.00 N ATOM 1872 CZ ARG A 114 7.315 6.686 -10.293 1.00 0.00 C ATOM 1873 NH1 ARG A 114 6.552 5.948 -9.494 1.00 0.00 N ATOM 1874 NH2 ARG A 114 7.289 6.471 -11.602 1.00 0.00 N ATOM 0 H ARG A 114 10.465 12.294 -9.989 1.00 0.00 H new ATOM 0 HA ARG A 114 8.698 11.941 -7.642 1.00 0.00 H new ATOM 0 HB2 ARG A 114 8.252 10.547 -9.823 1.00 0.00 H new ATOM 0 HB3 ARG A 114 9.709 9.680 -9.382 1.00 0.00 H new ATOM 0 HG2 ARG A 114 8.398 9.579 -7.010 1.00 0.00 H new ATOM 0 HG3 ARG A 114 7.025 9.667 -8.096 1.00 0.00 H new ATOM 0 HD2 ARG A 114 9.223 7.585 -8.025 1.00 0.00 H new ATOM 0 HD3 ARG A 114 7.501 7.345 -7.810 1.00 0.00 H new ATOM 0 HE ARG A 114 8.640 8.210 -10.446 1.00 0.00 H new ATOM 0 HH11 ARG A 114 6.564 6.108 -8.487 1.00 0.00 H new ATOM 0 HH12 ARG A 114 5.954 5.221 -9.888 1.00 0.00 H new ATOM 0 HH21 ARG A 114 7.870 7.034 -12.223 1.00 0.00 H new ATOM 0 HH22 ARG A 114 6.688 5.742 -11.987 1.00 0.00 H new ATOM 1888 N GLU A 115 10.602 11.303 -6.216 1.00 0.00 N ATOM 1889 CA GLU A 115 11.730 10.996 -5.346 1.00 0.00 C ATOM 1890 C GLU A 115 11.329 9.987 -4.275 1.00 0.00 C ATOM 1891 O GLU A 115 10.215 10.031 -3.750 1.00 0.00 O ATOM 1892 CB GLU A 115 12.268 12.272 -4.691 1.00 0.00 C ATOM 1893 CG GLU A 115 11.286 12.931 -3.737 1.00 0.00 C ATOM 1894 CD GLU A 115 11.973 13.669 -2.605 1.00 0.00 C ATOM 1895 OE1 GLU A 115 12.350 14.843 -2.803 1.00 0.00 O ATOM 1896 OE2 GLU A 115 12.132 13.073 -1.519 1.00 0.00 O ATOM 0 H GLU A 115 9.761 11.610 -5.726 1.00 0.00 H new ATOM 0 HA GLU A 115 12.518 10.557 -5.958 1.00 0.00 H new ATOM 0 HB2 GLU A 115 13.183 12.033 -4.149 1.00 0.00 H new ATOM 0 HB3 GLU A 115 12.537 12.984 -5.471 1.00 0.00 H new ATOM 0 HG2 GLU A 115 10.659 13.629 -4.292 1.00 0.00 H new ATOM 0 HG3 GLU A 115 10.625 12.171 -3.321 1.00 0.00 H new ATOM 1903 N GLY A 116 12.242 9.080 -3.951 1.00 0.00 N ATOM 1904 CA GLY A 116 11.962 8.078 -2.942 1.00 0.00 C ATOM 1905 C GLY A 116 11.576 6.732 -3.529 1.00 0.00 C ATOM 1906 O GLY A 116 11.025 5.884 -2.829 1.00 0.00 O ATOM 0 H GLY A 116 13.171 9.021 -4.369 1.00 0.00 H new ATOM 0 HA2 GLY A 116 12.841 7.953 -2.309 1.00 0.00 H new ATOM 0 HA3 GLY A 116 11.155 8.433 -2.301 1.00 0.00 H new ATOM 1910 N ARG A 117 11.862 6.532 -4.813 1.00 0.00 N ATOM 1911 CA ARG A 117 11.537 5.274 -5.479 1.00 0.00 C ATOM 1912 C ARG A 117 10.049 4.962 -5.358 1.00 0.00 C ATOM 1913 O ARG A 117 9.649 4.065 -4.616 1.00 0.00 O ATOM 1914 CB ARG A 117 12.367 4.129 -4.890 1.00 0.00 C ATOM 1915 CG ARG A 117 13.129 3.336 -5.939 1.00 0.00 C ATOM 1916 CD ARG A 117 14.611 3.677 -5.930 1.00 0.00 C ATOM 1917 NE ARG A 117 14.844 5.118 -5.993 1.00 0.00 N ATOM 1918 CZ ARG A 117 14.634 5.858 -7.079 1.00 0.00 C ATOM 1919 NH1 ARG A 117 14.195 5.294 -8.198 1.00 0.00 N ATOM 1920 NH2 ARG A 117 14.867 7.162 -7.048 1.00 0.00 N ATOM 0 H ARG A 117 12.316 7.222 -5.411 1.00 0.00 H new ATOM 0 HA ARG A 117 11.780 5.378 -6.537 1.00 0.00 H new ATOM 0 HB2 ARG A 117 13.075 4.537 -4.168 1.00 0.00 H new ATOM 0 HB3 ARG A 117 11.707 3.455 -4.344 1.00 0.00 H new ATOM 0 HG2 ARG A 117 12.999 2.269 -5.755 1.00 0.00 H new ATOM 0 HG3 ARG A 117 12.713 3.542 -6.925 1.00 0.00 H new ATOM 0 HD2 ARG A 117 15.069 3.275 -5.026 1.00 0.00 H new ATOM 0 HD3 ARG A 117 15.099 3.194 -6.777 1.00 0.00 H new ATOM 0 HE ARG A 117 15.188 5.585 -5.154 1.00 0.00 H new ATOM 0 HH11 ARG A 117 14.017 4.290 -8.227 1.00 0.00 H new ATOM 0 HH12 ARG A 117 14.035 5.865 -9.028 1.00 0.00 H new ATOM 0 HH21 ARG A 117 15.207 7.599 -6.192 1.00 0.00 H new ATOM 0 HH22 ARG A 117 14.706 7.729 -7.881 1.00 0.00 H new ATOM 1934 N ILE A 118 9.232 5.712 -6.085 1.00 0.00 N ATOM 1935 CA ILE A 118 7.788 5.518 -6.053 1.00 0.00 C ATOM 1936 C ILE A 118 7.236 5.813 -4.663 1.00 0.00 C ATOM 1937 O ILE A 118 6.650 4.946 -4.016 1.00 0.00 O ATOM 1938 CB ILE A 118 7.395 4.084 -6.478 1.00 0.00 C ATOM 1939 CG1 ILE A 118 8.252 3.634 -7.663 1.00 0.00 C ATOM 1940 CG2 ILE A 118 5.915 4.017 -6.834 1.00 0.00 C ATOM 1941 CD1 ILE A 118 7.895 2.262 -8.192 1.00 0.00 C ATOM 0 H ILE A 118 9.544 6.460 -6.704 1.00 0.00 H new ATOM 0 HA ILE A 118 7.353 6.216 -6.768 1.00 0.00 H new ATOM 0 HB ILE A 118 7.575 3.411 -5.640 1.00 0.00 H new ATOM 0 HG12 ILE A 118 8.151 4.361 -8.469 1.00 0.00 H new ATOM 0 HG13 ILE A 118 9.300 3.635 -7.362 1.00 0.00 H new ATOM 0 HG21 ILE A 118 5.658 3.000 -7.130 1.00 0.00 H new ATOM 0 HG22 ILE A 118 5.319 4.304 -5.968 1.00 0.00 H new ATOM 0 HG23 ILE A 118 5.708 4.699 -7.659 1.00 0.00 H new ATOM 0 HD11 ILE A 118 8.546 2.015 -9.030 1.00 0.00 H new ATOM 0 HD12 ILE A 118 8.024 1.522 -7.402 1.00 0.00 H new ATOM 0 HD13 ILE A 118 6.857 2.259 -8.525 1.00 0.00 H new ATOM 1953 N SER A 119 7.431 7.049 -4.209 1.00 0.00 N ATOM 1954 CA SER A 119 6.954 7.461 -2.890 1.00 0.00 C ATOM 1955 C SER A 119 6.477 8.911 -2.901 1.00 0.00 C ATOM 1956 O SER A 119 5.428 9.235 -2.344 1.00 0.00 O ATOM 1957 CB SER A 119 8.060 7.283 -1.848 1.00 0.00 C ATOM 1958 OG SER A 119 7.982 6.008 -1.232 1.00 0.00 O ATOM 0 H SER A 119 7.914 7.780 -4.732 1.00 0.00 H new ATOM 0 HA SER A 119 6.107 6.827 -2.627 1.00 0.00 H new ATOM 0 HB2 SER A 119 9.034 7.402 -2.323 1.00 0.00 H new ATOM 0 HB3 SER A 119 7.978 8.062 -1.090 1.00 0.00 H new ATOM 0 HG SER A 119 8.701 5.919 -0.572 1.00 0.00 H new ATOM 1964 N LEU A 120 7.254 9.781 -3.534 1.00 0.00 N ATOM 1965 CA LEU A 120 6.911 11.197 -3.614 1.00 0.00 C ATOM 1966 C LEU A 120 6.896 11.670 -5.070 1.00 0.00 C ATOM 1967 O LEU A 120 7.580 11.100 -5.917 1.00 0.00 O ATOM 1968 CB LEU A 120 7.915 12.031 -2.817 1.00 0.00 C ATOM 1969 CG LEU A 120 7.786 11.965 -1.290 1.00 0.00 C ATOM 1970 CD1 LEU A 120 6.342 12.169 -0.859 1.00 0.00 C ATOM 1971 CD2 LEU A 120 8.328 10.645 -0.759 1.00 0.00 C ATOM 0 H LEU A 120 8.126 9.532 -4.000 1.00 0.00 H new ATOM 0 HA LEU A 120 5.915 11.328 -3.190 1.00 0.00 H new ATOM 0 HB2 LEU A 120 8.920 11.711 -3.090 1.00 0.00 H new ATOM 0 HB3 LEU A 120 7.817 13.072 -3.125 1.00 0.00 H new ATOM 0 HG LEU A 120 8.382 12.772 -0.865 1.00 0.00 H new ATOM 0 HD11 LEU A 120 6.276 12.118 0.228 1.00 0.00 H new ATOM 0 HD12 LEU A 120 5.996 13.145 -1.198 1.00 0.00 H new ATOM 0 HD13 LEU A 120 5.718 11.390 -1.297 1.00 0.00 H new ATOM 0 HD21 LEU A 120 8.226 10.620 0.326 1.00 0.00 H new ATOM 0 HD22 LEU A 120 7.766 9.819 -1.195 1.00 0.00 H new ATOM 0 HD23 LEU A 120 9.380 10.549 -1.027 1.00 0.00 H new ATOM 1983 N LEU A 121 6.118 12.716 -5.355 1.00 0.00 N ATOM 1984 CA LEU A 121 6.033 13.253 -6.715 1.00 0.00 C ATOM 1985 C LEU A 121 5.238 14.563 -6.744 1.00 0.00 C ATOM 1986 O LEU A 121 4.430 14.819 -5.852 1.00 0.00 O ATOM 1987 CB LEU A 121 5.389 12.218 -7.651 1.00 0.00 C ATOM 1988 CG LEU A 121 5.406 12.570 -9.145 1.00 0.00 C ATOM 1989 CD1 LEU A 121 5.509 11.316 -10.001 1.00 0.00 C ATOM 1990 CD2 LEU A 121 4.165 13.359 -9.517 1.00 0.00 C ATOM 0 H LEU A 121 5.542 13.205 -4.669 1.00 0.00 H new ATOM 0 HA LEU A 121 7.045 13.466 -7.061 1.00 0.00 H new ATOM 0 HB2 LEU A 121 5.900 11.265 -7.515 1.00 0.00 H new ATOM 0 HB3 LEU A 121 4.354 12.071 -7.343 1.00 0.00 H new ATOM 0 HG LEU A 121 6.285 13.186 -9.336 1.00 0.00 H new ATOM 0 HD11 LEU A 121 5.519 11.595 -11.055 1.00 0.00 H new ATOM 0 HD12 LEU A 121 6.429 10.784 -9.758 1.00 0.00 H new ATOM 0 HD13 LEU A 121 4.653 10.670 -9.805 1.00 0.00 H new ATOM 0 HD21 LEU A 121 4.192 13.601 -10.580 1.00 0.00 H new ATOM 0 HD22 LEU A 121 3.278 12.763 -9.303 1.00 0.00 H new ATOM 0 HD23 LEU A 121 4.132 14.281 -8.936 1.00 0.00 H new ATOM 2002 N LYS A 122 5.487 15.396 -7.762 1.00 0.00 N ATOM 2003 CA LYS A 122 4.801 16.691 -7.896 1.00 0.00 C ATOM 2004 C LYS A 122 3.850 16.709 -9.089 1.00 0.00 C ATOM 2005 O LYS A 122 4.209 16.273 -10.184 1.00 0.00 O ATOM 2006 CB LYS A 122 5.821 17.817 -8.053 1.00 0.00 C ATOM 2007 CG LYS A 122 6.395 18.276 -6.734 1.00 0.00 C ATOM 2008 CD LYS A 122 7.754 18.940 -6.905 1.00 0.00 C ATOM 2009 CE LYS A 122 8.849 17.916 -7.164 1.00 0.00 C ATOM 2010 NZ LYS A 122 9.292 17.241 -5.911 1.00 0.00 N ATOM 0 H LYS A 122 6.157 15.198 -8.505 1.00 0.00 H new ATOM 0 HA LYS A 122 4.217 16.841 -6.988 1.00 0.00 H new ATOM 0 HB2 LYS A 122 6.632 17.479 -8.699 1.00 0.00 H new ATOM 0 HB3 LYS A 122 5.348 18.663 -8.552 1.00 0.00 H new ATOM 0 HG2 LYS A 122 5.706 18.977 -6.263 1.00 0.00 H new ATOM 0 HG3 LYS A 122 6.490 17.422 -6.063 1.00 0.00 H new ATOM 0 HD2 LYS A 122 7.713 19.647 -7.734 1.00 0.00 H new ATOM 0 HD3 LYS A 122 7.995 19.513 -6.009 1.00 0.00 H new ATOM 0 HE2 LYS A 122 8.486 17.168 -7.869 1.00 0.00 H new ATOM 0 HE3 LYS A 122 9.702 18.408 -7.631 1.00 0.00 H new ATOM 0 HZ1 LYS A 122 10.147 16.680 -6.102 1.00 0.00 H new ATOM 0 HZ2 LYS A 122 9.502 17.957 -5.187 1.00 0.00 H new ATOM 0 HZ3 LYS A 122 8.536 16.614 -5.569 1.00 0.00 H new ATOM 2024 N CYS A 123 2.648 17.249 -8.881 1.00 0.00 N ATOM 2025 CA CYS A 123 1.658 17.346 -9.950 1.00 0.00 C ATOM 2026 C CYS A 123 1.033 18.733 -10.000 1.00 0.00 C ATOM 2027 O CYS A 123 -0.184 18.871 -10.123 1.00 0.00 O ATOM 2028 CB CYS A 123 0.554 16.306 -9.766 1.00 0.00 C ATOM 2029 SG CYS A 123 1.078 14.606 -10.087 1.00 0.00 S ATOM 0 H CYS A 123 2.339 17.624 -7.984 1.00 0.00 H new ATOM 0 HA CYS A 123 2.179 17.158 -10.889 1.00 0.00 H new ATOM 0 HB2 CYS A 123 0.175 16.371 -8.746 1.00 0.00 H new ATOM 0 HB3 CYS A 123 -0.275 16.551 -10.430 1.00 0.00 H new ATOM 0 HG CYS A 123 0.031 13.855 -10.263 1.00 0.00 H new ATOM 2034 N GLU A 124 1.865 19.761 -9.913 1.00 0.00 N ATOM 2035 CA GLU A 124 1.383 21.136 -9.958 1.00 0.00 C ATOM 2036 C GLU A 124 0.441 21.336 -11.143 1.00 0.00 C ATOM 2037 O GLU A 124 -0.464 22.170 -11.101 1.00 0.00 O ATOM 2038 CB GLU A 124 2.565 22.099 -10.065 1.00 0.00 C ATOM 2039 CG GLU A 124 3.494 21.786 -11.224 1.00 0.00 C ATOM 2040 CD GLU A 124 4.311 22.987 -11.658 1.00 0.00 C ATOM 2041 OE1 GLU A 124 3.742 23.887 -12.311 1.00 0.00 O ATOM 2042 OE2 GLU A 124 5.520 23.027 -11.344 1.00 0.00 O ATOM 0 H GLU A 124 2.876 19.670 -9.811 1.00 0.00 H new ATOM 0 HA GLU A 124 0.834 21.341 -9.039 1.00 0.00 H new ATOM 0 HB2 GLU A 124 2.187 23.115 -10.176 1.00 0.00 H new ATOM 0 HB3 GLU A 124 3.133 22.070 -9.135 1.00 0.00 H new ATOM 0 HG2 GLU A 124 4.167 20.978 -10.937 1.00 0.00 H new ATOM 0 HG3 GLU A 124 2.906 21.427 -12.069 1.00 0.00 H new ATOM 2049 N ALA A 125 0.668 20.559 -12.198 1.00 0.00 N ATOM 2050 CA ALA A 125 -0.148 20.638 -13.401 1.00 0.00 C ATOM 2051 C ALA A 125 -1.542 20.077 -13.156 1.00 0.00 C ATOM 2052 O ALA A 125 -2.505 20.829 -13.013 1.00 0.00 O ATOM 2053 CB ALA A 125 0.536 19.900 -14.539 1.00 0.00 C ATOM 0 H ALA A 125 1.414 19.865 -12.242 1.00 0.00 H new ATOM 0 HA ALA A 125 -0.258 21.687 -13.676 1.00 0.00 H new ATOM 0 HB1 ALA A 125 -0.080 19.963 -15.436 1.00 0.00 H new ATOM 0 HB2 ALA A 125 1.508 20.353 -14.734 1.00 0.00 H new ATOM 0 HB3 ALA A 125 0.671 18.854 -14.265 1.00 0.00 H new ATOM 2059 N CYS A 126 -1.647 18.752 -13.100 1.00 0.00 N ATOM 2060 CA CYS A 126 -2.931 18.106 -12.866 1.00 0.00 C ATOM 2061 C CYS A 126 -3.307 18.172 -11.389 1.00 0.00 C ATOM 2062 O CYS A 126 -3.563 17.148 -10.753 1.00 0.00 O ATOM 2063 CB CYS A 126 -2.891 16.650 -13.336 1.00 0.00 C ATOM 2064 SG CYS A 126 -1.756 15.595 -12.403 1.00 0.00 S ATOM 0 H CYS A 126 -0.863 18.110 -13.213 1.00 0.00 H new ATOM 0 HA CYS A 126 -3.689 18.639 -13.440 1.00 0.00 H new ATOM 0 HB2 CYS A 126 -3.895 16.231 -13.269 1.00 0.00 H new ATOM 0 HB3 CYS A 126 -2.606 16.628 -14.388 1.00 0.00 H new ATOM 0 HG CYS A 126 -2.030 15.677 -11.135 1.00 0.00 H new ATOM 2069 N GLY A 127 -3.341 19.385 -10.846 1.00 0.00 N ATOM 2070 CA GLY A 127 -3.687 19.560 -9.449 1.00 0.00 C ATOM 2071 C GLY A 127 -2.469 19.764 -8.573 1.00 0.00 C ATOM 2072 O GLY A 127 -1.741 20.746 -8.727 1.00 0.00 O ATOM 0 H GLY A 127 -3.135 20.248 -11.349 1.00 0.00 H new ATOM 0 HA2 GLY A 127 -4.352 20.418 -9.347 1.00 0.00 H new ATOM 0 HA3 GLY A 127 -4.238 18.686 -9.102 1.00 0.00 H new ATOM 2076 N ALA A 128 -2.244 18.834 -7.653 1.00 0.00 N ATOM 2077 CA ALA A 128 -1.104 18.911 -6.750 1.00 0.00 C ATOM 2078 C ALA A 128 -0.669 17.520 -6.302 1.00 0.00 C ATOM 2079 O ALA A 128 -1.471 16.586 -6.270 1.00 0.00 O ATOM 2080 CB ALA A 128 -1.430 19.787 -5.548 1.00 0.00 C ATOM 0 H ALA A 128 -2.838 18.016 -7.513 1.00 0.00 H new ATOM 0 HA ALA A 128 -0.274 19.366 -7.290 1.00 0.00 H new ATOM 0 HB1 ALA A 128 -0.566 19.832 -4.885 1.00 0.00 H new ATOM 0 HB2 ALA A 128 -1.680 20.792 -5.887 1.00 0.00 H new ATOM 0 HB3 ALA A 128 -2.278 19.365 -5.010 1.00 0.00 H new ATOM 2086 N LYS A 129 0.605 17.391 -5.961 1.00 0.00 N ATOM 2087 CA LYS A 129 1.161 16.121 -5.515 1.00 0.00 C ATOM 2088 C LYS A 129 2.160 16.353 -4.392 1.00 0.00 C ATOM 2089 O LYS A 129 2.722 17.439 -4.275 1.00 0.00 O ATOM 2090 CB LYS A 129 1.822 15.375 -6.673 1.00 0.00 C ATOM 2091 CG LYS A 129 1.698 13.866 -6.563 1.00 0.00 C ATOM 2092 CD LYS A 129 0.307 13.394 -6.961 1.00 0.00 C ATOM 2093 CE LYS A 129 -0.344 12.581 -5.853 1.00 0.00 C ATOM 2094 NZ LYS A 129 -1.323 13.385 -5.069 1.00 0.00 N ATOM 0 H LYS A 129 1.278 18.157 -5.985 1.00 0.00 H new ATOM 0 HA LYS A 129 0.345 15.503 -5.140 1.00 0.00 H new ATOM 0 HB2 LYS A 129 1.373 15.702 -7.611 1.00 0.00 H new ATOM 0 HB3 LYS A 129 2.877 15.644 -6.714 1.00 0.00 H new ATOM 0 HG2 LYS A 129 2.442 13.390 -7.202 1.00 0.00 H new ATOM 0 HG3 LYS A 129 1.911 13.555 -5.540 1.00 0.00 H new ATOM 0 HD2 LYS A 129 -0.317 14.256 -7.196 1.00 0.00 H new ATOM 0 HD3 LYS A 129 0.372 12.791 -7.867 1.00 0.00 H new ATOM 0 HE2 LYS A 129 -0.849 11.718 -6.286 1.00 0.00 H new ATOM 0 HE3 LYS A 129 0.427 12.197 -5.185 1.00 0.00 H new ATOM 0 HZ1 LYS A 129 -2.036 12.753 -4.652 1.00 0.00 H new ATOM 0 HZ2 LYS A 129 -0.826 13.894 -4.311 1.00 0.00 H new ATOM 0 HZ3 LYS A 129 -1.792 14.069 -5.696 1.00 0.00 H new ATOM 2108 N ALA A 130 2.360 15.342 -3.554 1.00 0.00 N ATOM 2109 CA ALA A 130 3.276 15.459 -2.426 1.00 0.00 C ATOM 2110 C ALA A 130 4.729 15.293 -2.872 1.00 0.00 C ATOM 2111 O ALA A 130 5.181 14.180 -3.145 1.00 0.00 O ATOM 2112 CB ALA A 130 2.927 14.423 -1.372 1.00 0.00 C ATOM 0 H ALA A 130 1.901 14.434 -3.634 1.00 0.00 H new ATOM 0 HA ALA A 130 3.170 16.457 -2.000 1.00 0.00 H new ATOM 0 HB1 ALA A 130 3.614 14.514 -0.531 1.00 0.00 H new ATOM 0 HB2 ALA A 130 1.906 14.586 -1.026 1.00 0.00 H new ATOM 0 HB3 ALA A 130 3.010 13.425 -1.802 1.00 0.00 H new ATOM 2118 N PRO A 131 5.478 16.414 -2.956 1.00 0.00 N ATOM 2119 CA PRO A 131 6.883 16.407 -3.379 1.00 0.00 C ATOM 2120 C PRO A 131 7.817 15.812 -2.335 1.00 0.00 C ATOM 2121 O PRO A 131 8.567 14.878 -2.614 1.00 0.00 O ATOM 2122 CB PRO A 131 7.207 17.889 -3.570 1.00 0.00 C ATOM 2123 CG PRO A 131 6.245 18.619 -2.701 1.00 0.00 C ATOM 2124 CD PRO A 131 5.002 17.779 -2.651 1.00 0.00 C ATOM 0 HA PRO A 131 7.021 15.795 -4.270 1.00 0.00 H new ATOM 0 HB2 PRO A 131 8.237 18.106 -3.285 1.00 0.00 H new ATOM 0 HB3 PRO A 131 7.096 18.184 -4.613 1.00 0.00 H new ATOM 0 HG2 PRO A 131 6.656 18.765 -1.702 1.00 0.00 H new ATOM 0 HG3 PRO A 131 6.030 19.608 -3.105 1.00 0.00 H new ATOM 0 HD2 PRO A 131 4.528 17.826 -1.671 1.00 0.00 H new ATOM 0 HD3 PRO A 131 4.264 18.116 -3.379 1.00 0.00 H new