USER MOD reduce.3.24.130724 H: found=0, std=0, add=822, rem=0, adj=15 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 -27:sc= -0.195 USER MOD Set 1.2: A 105 CYS SG : rot 87:sc= 0.307 USER MOD Set 1.3: A 123 CYS SG : rot -166:sc= -0.876 USER MOD Set 1.4: A 126 CYS SG : rot 56:sc= -0.0351 USER MOD Set 2.1: A 52 ASN : amide:sc= -8.75! K(o=-9!,f=-3.9) USER MOD Set 2.2: A 57 HIS : no HD1:sc= -0.292 K(o=-9,f=-8!) USER MOD Single : A 31 TYR OH : rot 180:sc= 0 USER MOD Single : A 32 SER OG : rot 137:sc= -2.74! USER MOD Single : A 35 GLN : amide:sc= -2.19 X(o=-2.2,f=-2.4) USER MOD Single : A 37 ASN : amide:sc= -0.176 K(o=-0.18,f=-2.5!) USER MOD Single : A 39 THR OG1 : rot 95:sc= 0.296 USER MOD Single : A 42 GLN : amide:sc= -1.92 K(o=-1.9,f=-0.52) USER MOD Single : A 43 ASN : amide:sc= -0.214 K(o=-0.21,f=-1.5!) USER MOD Single : A 56 GLN : amide:sc= -0.27 K(o=-0.27,f=-2.8!) USER MOD Single : A 60 LYS NZ :NH3+ -168:sc= 0 (180deg=-0.0412) USER MOD Single : A 68 THR OG1 : rot -49:sc= -2.46 USER MOD Single : A 71 ASN : amide:sc= -0.7 X(o=-0.7,f=-0.75) USER MOD Single : A 80 GLN : amide:sc= -0.561 X(o=-0.56,f=-0.091) USER MOD Single : A 82 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 84 THR OG1 : rot 180:sc= -0.298 USER MOD Single : A 85 HIS : no HD1:sc= -7.93! C(o=-7.9!,f=-6.5!) USER MOD Single : A 89 ASN : amide:sc= -1.68 K(o=-1.7,f=-9.1!) USER MOD Single : A 95 TYR OH : rot 30:sc= -2.55 USER MOD Single : A 97 ASN : amide:sc= -1.23 K(o=-1.2,f=-2.7) USER MOD Single : A 98 LYS NZ :NH3+ -170:sc=-0.00159 (180deg=-0.143) USER MOD Single : A 103 HIS : no HD1:sc= 0 X(o=0,f=0) USER MOD Single : A 106 ASN : amide:sc= -2.12 K(o=-2.1,f=0.2) USER MOD Single : A 110 THR OG1 : rot 140:sc= 0 USER MOD Single : A 119 SER OG : rot 110:sc= 0.254 USER MOD Single : A 122 LYS NZ :NH3+ -171:sc= -1.36 (180deg=-1.81!) USER MOD Single : A 129 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD ----------------------------------------------------------------- ATOM 505 N TYR A 31 -8.569 -3.071 1.392 1.00 0.00 N ATOM 506 CA TYR A 31 -7.982 -2.043 2.239 1.00 0.00 C ATOM 507 C TYR A 31 -8.335 -2.280 3.710 1.00 0.00 C ATOM 508 O TYR A 31 -8.782 -3.364 4.083 1.00 0.00 O ATOM 509 CB TYR A 31 -8.469 -0.662 1.787 1.00 0.00 C ATOM 510 CG TYR A 31 -9.898 -0.367 2.177 1.00 0.00 C ATOM 511 CD1 TYR A 31 -10.960 -1.002 1.540 1.00 0.00 C ATOM 512 CD2 TYR A 31 -10.187 0.533 3.194 1.00 0.00 C ATOM 513 CE1 TYR A 31 -12.267 -0.743 1.904 1.00 0.00 C ATOM 514 CE2 TYR A 31 -11.490 0.793 3.562 1.00 0.00 C ATOM 515 CZ TYR A 31 -12.524 0.155 2.918 1.00 0.00 C ATOM 516 OH TYR A 31 -13.820 0.420 3.289 1.00 0.00 O ATOM 0 HA TYR A 31 -6.897 -2.089 2.143 1.00 0.00 H new ATOM 0 HB2 TYR A 31 -7.819 0.101 2.215 1.00 0.00 H new ATOM 0 HB3 TYR A 31 -8.375 -0.589 0.704 1.00 0.00 H new ATOM 0 HD1 TYR A 31 -10.759 -1.709 0.748 1.00 0.00 H new ATOM 0 HD2 TYR A 31 -9.379 1.037 3.704 1.00 0.00 H new ATOM 0 HE1 TYR A 31 -13.081 -1.240 1.398 1.00 0.00 H new ATOM 0 HE2 TYR A 31 -11.698 1.496 4.355 1.00 0.00 H new ATOM 0 HH TYR A 31 -13.824 1.074 4.019 1.00 0.00 H new ATOM 526 N SER A 32 -8.134 -1.254 4.533 1.00 0.00 N ATOM 527 CA SER A 32 -8.432 -1.337 5.964 1.00 0.00 C ATOM 528 C SER A 32 -9.939 -1.339 6.209 1.00 0.00 C ATOM 529 O SER A 32 -10.718 -1.000 5.323 1.00 0.00 O ATOM 530 CB SER A 32 -7.791 -0.160 6.705 1.00 0.00 C ATOM 531 OG SER A 32 -7.771 1.005 5.898 1.00 0.00 O ATOM 0 H SER A 32 -7.765 -0.351 4.234 1.00 0.00 H new ATOM 0 HA SER A 32 -8.018 -2.272 6.342 1.00 0.00 H new ATOM 0 HB2 SER A 32 -8.344 0.040 7.623 1.00 0.00 H new ATOM 0 HB3 SER A 32 -6.774 -0.421 6.996 1.00 0.00 H new ATOM 0 HG SER A 32 -8.030 1.781 6.437 1.00 0.00 H new ATOM 537 N VAL A 33 -10.350 -1.723 7.414 1.00 0.00 N ATOM 538 CA VAL A 33 -11.768 -1.761 7.758 1.00 0.00 C ATOM 539 C VAL A 33 -12.016 -1.167 9.144 1.00 0.00 C ATOM 540 O VAL A 33 -11.334 -1.509 10.110 1.00 0.00 O ATOM 541 CB VAL A 33 -12.341 -3.198 7.717 1.00 0.00 C ATOM 542 CG1 VAL A 33 -13.235 -3.387 6.503 1.00 0.00 C ATOM 543 CG2 VAL A 33 -11.231 -4.240 7.721 1.00 0.00 C ATOM 0 H VAL A 33 -9.724 -2.011 8.166 1.00 0.00 H new ATOM 0 HA VAL A 33 -12.280 -1.161 7.006 1.00 0.00 H new ATOM 0 HB VAL A 33 -12.939 -3.338 8.618 1.00 0.00 H new ATOM 0 HG11 VAL A 33 -13.627 -4.404 6.494 1.00 0.00 H new ATOM 0 HG12 VAL A 33 -14.063 -2.680 6.547 1.00 0.00 H new ATOM 0 HG13 VAL A 33 -12.657 -3.213 5.595 1.00 0.00 H new ATOM 0 HG21 VAL A 33 -11.669 -5.238 7.692 1.00 0.00 H new ATOM 0 HG22 VAL A 33 -10.595 -4.097 6.848 1.00 0.00 H new ATOM 0 HG23 VAL A 33 -10.634 -4.132 8.627 1.00 0.00 H new ATOM 553 N ILE A 34 -12.995 -0.271 9.231 1.00 0.00 N ATOM 554 CA ILE A 34 -13.337 0.375 10.489 1.00 0.00 C ATOM 555 C ILE A 34 -14.399 -0.406 11.256 1.00 0.00 C ATOM 556 O ILE A 34 -15.380 -0.865 10.675 1.00 0.00 O ATOM 557 CB ILE A 34 -13.860 1.798 10.249 1.00 0.00 C ATOM 558 CG1 ILE A 34 -13.960 2.546 11.573 1.00 0.00 C ATOM 559 CG2 ILE A 34 -15.211 1.760 9.548 1.00 0.00 C ATOM 560 CD1 ILE A 34 -12.649 2.616 12.326 1.00 0.00 C ATOM 0 H ILE A 34 -13.567 0.024 8.439 1.00 0.00 H new ATOM 0 HA ILE A 34 -12.422 0.408 11.080 1.00 0.00 H new ATOM 0 HB ILE A 34 -13.159 2.326 9.602 1.00 0.00 H new ATOM 0 HG12 ILE A 34 -14.316 3.559 11.383 1.00 0.00 H new ATOM 0 HG13 ILE A 34 -14.706 2.059 12.201 1.00 0.00 H new ATOM 0 HG21 ILE A 34 -15.566 2.778 9.386 1.00 0.00 H new ATOM 0 HG22 ILE A 34 -15.109 1.255 8.588 1.00 0.00 H new ATOM 0 HG23 ILE A 34 -15.927 1.220 10.167 1.00 0.00 H new ATOM 0 HD11 ILE A 34 -12.794 3.162 13.258 1.00 0.00 H new ATOM 0 HD12 ILE A 34 -12.302 1.607 12.547 1.00 0.00 H new ATOM 0 HD13 ILE A 34 -11.906 3.130 11.716 1.00 0.00 H new ATOM 572 N GLN A 35 -14.201 -0.539 12.567 1.00 0.00 N ATOM 573 CA GLN A 35 -15.144 -1.252 13.426 1.00 0.00 C ATOM 574 C GLN A 35 -14.570 -1.396 14.830 1.00 0.00 C ATOM 575 O GLN A 35 -13.394 -1.713 14.995 1.00 0.00 O ATOM 576 CB GLN A 35 -15.455 -2.637 12.854 1.00 0.00 C ATOM 577 CG GLN A 35 -16.496 -3.413 13.648 1.00 0.00 C ATOM 578 CD GLN A 35 -16.084 -4.850 13.910 1.00 0.00 C ATOM 579 OE1 GLN A 35 -15.587 -5.178 14.988 1.00 0.00 O ATOM 580 NE2 GLN A 35 -16.288 -5.716 12.923 1.00 0.00 N ATOM 0 H GLN A 35 -13.392 -0.160 13.059 1.00 0.00 H new ATOM 0 HA GLN A 35 -16.068 -0.675 13.471 1.00 0.00 H new ATOM 0 HB2 GLN A 35 -15.804 -2.525 11.828 1.00 0.00 H new ATOM 0 HB3 GLN A 35 -14.534 -3.219 12.816 1.00 0.00 H new ATOM 0 HG2 GLN A 35 -16.670 -2.910 14.599 1.00 0.00 H new ATOM 0 HG3 GLN A 35 -17.441 -3.404 13.105 1.00 0.00 H new ATOM 0 HE21 GLN A 35 -16.703 -5.401 12.046 1.00 0.00 H new ATOM 0 HE22 GLN A 35 -16.030 -6.696 13.043 1.00 0.00 H new ATOM 589 N GLY A 36 -15.405 -1.167 15.838 1.00 0.00 N ATOM 590 CA GLY A 36 -14.955 -1.282 17.214 1.00 0.00 C ATOM 591 C GLY A 36 -13.823 -0.328 17.545 1.00 0.00 C ATOM 592 O GLY A 36 -13.017 -0.600 18.434 1.00 0.00 O ATOM 0 H GLY A 36 -16.384 -0.904 15.728 1.00 0.00 H new ATOM 0 HA2 GLY A 36 -15.794 -1.089 17.883 1.00 0.00 H new ATOM 0 HA3 GLY A 36 -14.628 -2.305 17.400 1.00 0.00 H new ATOM 596 N ASN A 37 -13.762 0.795 16.834 1.00 0.00 N ATOM 597 CA ASN A 37 -12.716 1.789 17.065 1.00 0.00 C ATOM 598 C ASN A 37 -11.345 1.209 16.740 1.00 0.00 C ATOM 599 O ASN A 37 -10.351 1.548 17.380 1.00 0.00 O ATOM 600 CB ASN A 37 -12.741 2.259 18.522 1.00 0.00 C ATOM 601 CG ASN A 37 -12.380 3.724 18.665 1.00 0.00 C ATOM 602 OD1 ASN A 37 -12.419 4.482 17.697 1.00 0.00 O ATOM 603 ND2 ASN A 37 -12.023 4.130 19.879 1.00 0.00 N ATOM 0 H ASN A 37 -14.422 1.039 16.096 1.00 0.00 H new ATOM 0 HA ASN A 37 -12.905 2.640 16.410 1.00 0.00 H new ATOM 0 HB2 ASN A 37 -13.734 2.091 18.938 1.00 0.00 H new ATOM 0 HB3 ASN A 37 -12.045 1.658 19.106 1.00 0.00 H new ATOM 0 HD21 ASN A 37 -11.767 5.105 20.036 1.00 0.00 H new ATOM 0 HD22 ASN A 37 -12.005 3.467 20.654 1.00 0.00 H new ATOM 610 N ARG A 38 -11.302 0.320 15.750 1.00 0.00 N ATOM 611 CA ARG A 38 -10.050 -0.324 15.349 1.00 0.00 C ATOM 612 C ARG A 38 -10.050 -0.654 13.860 1.00 0.00 C ATOM 613 O ARG A 38 -11.109 -0.755 13.241 1.00 0.00 O ATOM 614 CB ARG A 38 -9.823 -1.605 16.160 1.00 0.00 C ATOM 615 CG ARG A 38 -11.104 -2.303 16.609 1.00 0.00 C ATOM 616 CD ARG A 38 -11.002 -2.790 18.046 1.00 0.00 C ATOM 617 NE ARG A 38 -11.337 -4.207 18.176 1.00 0.00 N ATOM 618 CZ ARG A 38 -10.790 -5.016 19.081 1.00 0.00 C ATOM 619 NH1 ARG A 38 -9.873 -4.558 19.925 1.00 0.00 N ATOM 620 NH2 ARG A 38 -11.159 -6.286 19.143 1.00 0.00 N ATOM 0 H ARG A 38 -12.117 0.029 15.211 1.00 0.00 H new ATOM 0 HA ARG A 38 -9.240 0.377 15.548 1.00 0.00 H new ATOM 0 HB2 ARG A 38 -9.236 -2.301 15.561 1.00 0.00 H new ATOM 0 HB3 ARG A 38 -9.228 -1.362 17.041 1.00 0.00 H new ATOM 0 HG2 ARG A 38 -11.945 -1.616 16.516 1.00 0.00 H new ATOM 0 HG3 ARG A 38 -11.308 -3.148 15.951 1.00 0.00 H new ATOM 0 HD2 ARG A 38 -9.989 -2.623 18.413 1.00 0.00 H new ATOM 0 HD3 ARG A 38 -11.670 -2.202 18.675 1.00 0.00 H new ATOM 0 HE ARG A 38 -12.029 -4.598 17.537 1.00 0.00 H new ATOM 0 HH11 ARG A 38 -9.584 -3.581 19.883 1.00 0.00 H new ATOM 0 HH12 ARG A 38 -9.458 -5.183 20.616 1.00 0.00 H new ATOM 0 HH21 ARG A 38 -11.862 -6.645 18.497 1.00 0.00 H new ATOM 0 HH22 ARG A 38 -10.740 -6.906 19.836 1.00 0.00 H new ATOM 634 N THR A 39 -8.860 -0.837 13.287 1.00 0.00 N ATOM 635 CA THR A 39 -8.752 -1.169 11.868 1.00 0.00 C ATOM 636 C THR A 39 -8.330 -2.626 11.667 1.00 0.00 C ATOM 637 O THR A 39 -7.347 -3.084 12.248 1.00 0.00 O ATOM 638 CB THR A 39 -7.793 -0.201 11.149 1.00 0.00 C ATOM 639 OG1 THR A 39 -8.457 0.425 10.067 1.00 0.00 O ATOM 640 CG2 THR A 39 -6.546 -0.847 10.579 1.00 0.00 C ATOM 0 H THR A 39 -7.968 -0.762 13.777 1.00 0.00 H new ATOM 0 HA THR A 39 -9.739 -1.053 11.421 1.00 0.00 H new ATOM 0 HB THR A 39 -7.484 0.502 11.923 1.00 0.00 H new ATOM 0 HG1 THR A 39 -8.811 1.291 10.358 1.00 0.00 H new ATOM 0 HG21 THR A 39 -5.933 -0.088 10.093 1.00 0.00 H new ATOM 0 HG22 THR A 39 -5.977 -1.312 11.384 1.00 0.00 H new ATOM 0 HG23 THR A 39 -6.830 -1.606 9.850 1.00 0.00 H new ATOM 648 N PHE A 40 -9.080 -3.348 10.836 1.00 0.00 N ATOM 649 CA PHE A 40 -8.777 -4.749 10.559 1.00 0.00 C ATOM 650 C PHE A 40 -8.038 -4.893 9.237 1.00 0.00 C ATOM 651 O PHE A 40 -8.620 -5.302 8.231 1.00 0.00 O ATOM 652 CB PHE A 40 -10.059 -5.581 10.517 1.00 0.00 C ATOM 653 CG PHE A 40 -11.021 -5.274 11.617 1.00 0.00 C ATOM 654 CD1 PHE A 40 -10.567 -5.001 12.894 1.00 0.00 C ATOM 655 CD2 PHE A 40 -12.381 -5.280 11.374 1.00 0.00 C ATOM 656 CE1 PHE A 40 -11.454 -4.743 13.915 1.00 0.00 C ATOM 657 CE2 PHE A 40 -13.273 -5.018 12.385 1.00 0.00 C ATOM 658 CZ PHE A 40 -12.812 -4.751 13.661 1.00 0.00 C ATOM 0 H PHE A 40 -9.898 -2.987 10.345 1.00 0.00 H new ATOM 0 HA PHE A 40 -8.139 -5.114 11.364 1.00 0.00 H new ATOM 0 HB2 PHE A 40 -10.554 -5.418 9.560 1.00 0.00 H new ATOM 0 HB3 PHE A 40 -9.795 -6.638 10.564 1.00 0.00 H new ATOM 0 HD1 PHE A 40 -9.506 -4.990 13.093 1.00 0.00 H new ATOM 0 HD2 PHE A 40 -12.746 -5.493 10.380 1.00 0.00 H new ATOM 0 HE1 PHE A 40 -11.090 -4.535 14.910 1.00 0.00 H new ATOM 0 HE2 PHE A 40 -14.334 -5.021 12.183 1.00 0.00 H new ATOM 0 HZ PHE A 40 -13.512 -4.549 14.458 1.00 0.00 H new ATOM 668 N ILE A 41 -6.753 -4.558 9.235 1.00 0.00 N ATOM 669 CA ILE A 41 -5.956 -4.660 8.025 1.00 0.00 C ATOM 670 C ILE A 41 -5.629 -6.123 7.716 1.00 0.00 C ATOM 671 O ILE A 41 -5.082 -6.840 8.560 1.00 0.00 O ATOM 672 CB ILE A 41 -4.659 -3.835 8.146 1.00 0.00 C ATOM 673 CG1 ILE A 41 -4.124 -3.465 6.764 1.00 0.00 C ATOM 674 CG2 ILE A 41 -3.609 -4.587 8.946 1.00 0.00 C ATOM 675 CD1 ILE A 41 -3.923 -1.978 6.593 1.00 0.00 C ATOM 0 H ILE A 41 -6.247 -4.216 10.052 1.00 0.00 H new ATOM 0 HA ILE A 41 -6.543 -4.253 7.202 1.00 0.00 H new ATOM 0 HB ILE A 41 -4.893 -2.914 8.680 1.00 0.00 H new ATOM 0 HG12 ILE A 41 -3.176 -3.977 6.597 1.00 0.00 H new ATOM 0 HG13 ILE A 41 -4.817 -3.823 6.003 1.00 0.00 H new ATOM 0 HG21 ILE A 41 -2.704 -3.983 9.017 1.00 0.00 H new ATOM 0 HG22 ILE A 41 -3.990 -4.789 9.947 1.00 0.00 H new ATOM 0 HG23 ILE A 41 -3.379 -5.529 8.449 1.00 0.00 H new ATOM 0 HD11 ILE A 41 -3.542 -1.775 5.592 1.00 0.00 H new ATOM 0 HD12 ILE A 41 -4.874 -1.464 6.730 1.00 0.00 H new ATOM 0 HD13 ILE A 41 -3.208 -1.620 7.333 1.00 0.00 H new ATOM 687 N GLN A 42 -5.973 -6.563 6.509 1.00 0.00 N ATOM 688 CA GLN A 42 -5.722 -7.940 6.097 1.00 0.00 C ATOM 689 C GLN A 42 -4.616 -7.988 5.058 1.00 0.00 C ATOM 690 O GLN A 42 -3.714 -8.824 5.131 1.00 0.00 O ATOM 691 CB GLN A 42 -6.999 -8.572 5.532 1.00 0.00 C ATOM 692 CG GLN A 42 -7.934 -9.116 6.601 1.00 0.00 C ATOM 693 CD GLN A 42 -9.270 -8.398 6.633 1.00 0.00 C ATOM 694 OE1 GLN A 42 -10.315 -9.019 6.831 1.00 0.00 O ATOM 695 NE2 GLN A 42 -9.244 -7.085 6.441 1.00 0.00 N ATOM 0 H GLN A 42 -6.426 -5.986 5.800 1.00 0.00 H new ATOM 0 HA GLN A 42 -5.408 -8.508 6.973 1.00 0.00 H new ATOM 0 HB2 GLN A 42 -7.532 -7.828 4.940 1.00 0.00 H new ATOM 0 HB3 GLN A 42 -6.725 -9.381 4.855 1.00 0.00 H new ATOM 0 HG2 GLN A 42 -8.102 -10.178 6.424 1.00 0.00 H new ATOM 0 HG3 GLN A 42 -7.455 -9.027 7.576 1.00 0.00 H new ATOM 0 HE21 GLN A 42 -8.355 -6.611 6.280 1.00 0.00 H new ATOM 0 HE22 GLN A 42 -10.113 -6.550 6.454 1.00 0.00 H new ATOM 704 N ASN A 43 -4.689 -7.080 4.097 1.00 0.00 N ATOM 705 CA ASN A 43 -3.693 -7.005 3.042 1.00 0.00 C ATOM 706 C ASN A 43 -2.693 -5.886 3.321 1.00 0.00 C ATOM 707 O ASN A 43 -2.358 -5.101 2.433 1.00 0.00 O ATOM 708 CB ASN A 43 -4.370 -6.785 1.685 1.00 0.00 C ATOM 709 CG ASN A 43 -3.994 -7.851 0.676 1.00 0.00 C ATOM 710 OD1 ASN A 43 -2.954 -8.498 0.797 1.00 0.00 O ATOM 711 ND2 ASN A 43 -4.842 -8.040 -0.328 1.00 0.00 N ATOM 0 H ASN A 43 -5.431 -6.383 4.027 1.00 0.00 H new ATOM 0 HA ASN A 43 -3.152 -7.951 3.015 1.00 0.00 H new ATOM 0 HB2 ASN A 43 -5.452 -6.779 1.818 1.00 0.00 H new ATOM 0 HB3 ASN A 43 -4.091 -5.806 1.297 1.00 0.00 H new ATOM 0 HD21 ASN A 43 -4.643 -8.744 -1.038 1.00 0.00 H new ATOM 0 HD22 ASN A 43 -5.693 -7.481 -0.389 1.00 0.00 H new ATOM 718 N PHE A 44 -2.216 -5.817 4.561 1.00 0.00 N ATOM 719 CA PHE A 44 -1.254 -4.791 4.952 1.00 0.00 C ATOM 720 C PHE A 44 -0.137 -4.670 3.923 1.00 0.00 C ATOM 721 O PHE A 44 0.411 -3.595 3.718 1.00 0.00 O ATOM 722 CB PHE A 44 -0.665 -5.110 6.327 1.00 0.00 C ATOM 723 CG PHE A 44 -0.306 -6.558 6.503 1.00 0.00 C ATOM 724 CD1 PHE A 44 0.844 -7.072 5.926 1.00 0.00 C ATOM 725 CD2 PHE A 44 -1.120 -7.405 7.238 1.00 0.00 C ATOM 726 CE1 PHE A 44 1.176 -8.404 6.080 1.00 0.00 C ATOM 727 CE2 PHE A 44 -0.793 -8.738 7.395 1.00 0.00 C ATOM 728 CZ PHE A 44 0.357 -9.239 6.814 1.00 0.00 C ATOM 0 H PHE A 44 -2.479 -6.457 5.310 1.00 0.00 H new ATOM 0 HA PHE A 44 -1.780 -3.838 5.003 1.00 0.00 H new ATOM 0 HB2 PHE A 44 0.226 -4.501 6.482 1.00 0.00 H new ATOM 0 HB3 PHE A 44 -1.383 -4.826 7.096 1.00 0.00 H new ATOM 0 HD1 PHE A 44 1.488 -6.424 5.350 1.00 0.00 H new ATOM 0 HD2 PHE A 44 -2.020 -7.019 7.693 1.00 0.00 H new ATOM 0 HE1 PHE A 44 2.076 -8.792 5.626 1.00 0.00 H new ATOM 0 HE2 PHE A 44 -1.435 -9.388 7.971 1.00 0.00 H new ATOM 0 HZ PHE A 44 0.614 -10.281 6.934 1.00 0.00 H new ATOM 738 N ARG A 45 0.195 -5.772 3.272 1.00 0.00 N ATOM 739 CA ARG A 45 1.247 -5.753 2.267 1.00 0.00 C ATOM 740 C ARG A 45 0.854 -4.875 1.086 1.00 0.00 C ATOM 741 O ARG A 45 1.621 -4.011 0.661 1.00 0.00 O ATOM 742 CB ARG A 45 1.552 -7.165 1.780 1.00 0.00 C ATOM 743 CG ARG A 45 2.867 -7.268 1.030 1.00 0.00 C ATOM 744 CD ARG A 45 2.662 -7.118 -0.467 1.00 0.00 C ATOM 745 NE ARG A 45 2.176 -8.353 -1.074 1.00 0.00 N ATOM 746 CZ ARG A 45 2.962 -9.372 -1.409 1.00 0.00 C ATOM 747 NH1 ARG A 45 4.272 -9.304 -1.206 1.00 0.00 N ATOM 748 NH2 ARG A 45 2.436 -10.464 -1.948 1.00 0.00 N ATOM 0 H ARG A 45 -0.242 -6.682 3.418 1.00 0.00 H new ATOM 0 HA ARG A 45 2.142 -5.337 2.730 1.00 0.00 H new ATOM 0 HB2 ARG A 45 1.575 -7.840 2.635 1.00 0.00 H new ATOM 0 HB3 ARG A 45 0.744 -7.501 1.131 1.00 0.00 H new ATOM 0 HG2 ARG A 45 3.551 -6.497 1.384 1.00 0.00 H new ATOM 0 HG3 ARG A 45 3.334 -8.230 1.241 1.00 0.00 H new ATOM 0 HD2 ARG A 45 1.950 -6.315 -0.658 1.00 0.00 H new ATOM 0 HD3 ARG A 45 3.603 -6.828 -0.935 1.00 0.00 H new ATOM 0 HE ARG A 45 1.175 -8.440 -1.252 1.00 0.00 H new ATOM 0 HH11 ARG A 45 4.681 -8.467 -0.791 1.00 0.00 H new ATOM 0 HH12 ARG A 45 4.870 -10.089 -1.465 1.00 0.00 H new ATOM 0 HH21 ARG A 45 1.430 -10.521 -2.105 1.00 0.00 H new ATOM 0 HH22 ARG A 45 3.038 -11.246 -2.205 1.00 0.00 H new ATOM 762 N GLU A 46 -0.346 -5.098 0.563 1.00 0.00 N ATOM 763 CA GLU A 46 -0.835 -4.322 -0.570 1.00 0.00 C ATOM 764 C GLU A 46 -1.398 -2.989 -0.107 1.00 0.00 C ATOM 765 O GLU A 46 -1.044 -1.932 -0.634 1.00 0.00 O ATOM 766 CB GLU A 46 -1.913 -5.094 -1.325 1.00 0.00 C ATOM 767 CG GLU A 46 -2.281 -4.478 -2.666 1.00 0.00 C ATOM 768 CD GLU A 46 -3.536 -5.084 -3.265 1.00 0.00 C ATOM 769 OE1 GLU A 46 -3.706 -6.318 -3.165 1.00 0.00 O ATOM 770 OE2 GLU A 46 -4.349 -4.326 -3.835 1.00 0.00 O ATOM 0 H GLU A 46 -0.996 -5.807 0.904 1.00 0.00 H new ATOM 0 HA GLU A 46 0.007 -4.139 -1.237 1.00 0.00 H new ATOM 0 HB2 GLU A 46 -1.570 -6.116 -1.487 1.00 0.00 H new ATOM 0 HB3 GLU A 46 -2.807 -5.153 -0.705 1.00 0.00 H new ATOM 0 HG2 GLU A 46 -2.425 -3.405 -2.541 1.00 0.00 H new ATOM 0 HG3 GLU A 46 -1.452 -4.609 -3.361 1.00 0.00 H new ATOM 777 N VAL A 47 -2.285 -3.047 0.881 1.00 0.00 N ATOM 778 CA VAL A 47 -2.907 -1.849 1.416 1.00 0.00 C ATOM 779 C VAL A 47 -1.856 -0.839 1.868 1.00 0.00 C ATOM 780 O VAL A 47 -2.007 0.367 1.660 1.00 0.00 O ATOM 781 CB VAL A 47 -3.840 -2.169 2.601 1.00 0.00 C ATOM 782 CG1 VAL A 47 -4.671 -0.946 2.954 1.00 0.00 C ATOM 783 CG2 VAL A 47 -4.744 -3.352 2.280 1.00 0.00 C ATOM 0 H VAL A 47 -2.587 -3.914 1.326 1.00 0.00 H new ATOM 0 HA VAL A 47 -3.500 -1.419 0.609 1.00 0.00 H new ATOM 0 HB VAL A 47 -3.225 -2.439 3.459 1.00 0.00 H new ATOM 0 HG11 VAL A 47 -5.327 -1.181 3.792 1.00 0.00 H new ATOM 0 HG12 VAL A 47 -4.010 -0.124 3.230 1.00 0.00 H new ATOM 0 HG13 VAL A 47 -5.273 -0.654 2.093 1.00 0.00 H new ATOM 0 HG21 VAL A 47 -5.392 -3.557 3.132 1.00 0.00 H new ATOM 0 HG22 VAL A 47 -5.355 -3.117 1.408 1.00 0.00 H new ATOM 0 HG23 VAL A 47 -4.133 -4.230 2.069 1.00 0.00 H new ATOM 793 N ALA A 48 -0.783 -1.334 2.478 1.00 0.00 N ATOM 794 CA ALA A 48 0.277 -0.454 2.948 1.00 0.00 C ATOM 795 C ALA A 48 1.120 0.084 1.799 1.00 0.00 C ATOM 796 O ALA A 48 1.420 1.274 1.745 1.00 0.00 O ATOM 797 CB ALA A 48 1.167 -1.143 3.967 1.00 0.00 C ATOM 0 H ALA A 48 -0.627 -2.326 2.656 1.00 0.00 H new ATOM 0 HA ALA A 48 -0.215 0.389 3.433 1.00 0.00 H new ATOM 0 HB1 ALA A 48 1.946 -0.454 4.294 1.00 0.00 H new ATOM 0 HB2 ALA A 48 0.569 -1.448 4.825 1.00 0.00 H new ATOM 0 HB3 ALA A 48 1.626 -2.022 3.514 1.00 0.00 H new ATOM 803 N ASP A 49 1.521 -0.799 0.891 1.00 0.00 N ATOM 804 CA ASP A 49 2.351 -0.398 -0.238 1.00 0.00 C ATOM 805 C ASP A 49 1.779 0.837 -0.924 1.00 0.00 C ATOM 806 O ASP A 49 2.402 1.897 -0.929 1.00 0.00 O ATOM 807 CB ASP A 49 2.473 -1.548 -1.241 1.00 0.00 C ATOM 808 CG ASP A 49 3.913 -1.845 -1.625 1.00 0.00 C ATOM 809 OD1 ASP A 49 4.617 -0.915 -2.075 1.00 0.00 O ATOM 810 OD2 ASP A 49 4.338 -3.010 -1.473 1.00 0.00 O ATOM 0 H ASP A 49 1.286 -1.791 0.914 1.00 0.00 H new ATOM 0 HA ASP A 49 3.343 -0.150 0.141 1.00 0.00 H new ATOM 0 HB2 ASP A 49 2.023 -2.445 -0.815 1.00 0.00 H new ATOM 0 HB3 ASP A 49 1.906 -1.303 -2.139 1.00 0.00 H new ATOM 815 N ALA A 50 0.599 0.695 -1.512 1.00 0.00 N ATOM 816 CA ALA A 50 -0.036 1.803 -2.211 1.00 0.00 C ATOM 817 C ALA A 50 -0.218 3.017 -1.301 1.00 0.00 C ATOM 818 O ALA A 50 0.000 4.153 -1.726 1.00 0.00 O ATOM 819 CB ALA A 50 -1.364 1.359 -2.797 1.00 0.00 C ATOM 0 H ALA A 50 0.064 -0.173 -1.519 1.00 0.00 H new ATOM 0 HA ALA A 50 0.622 2.109 -3.024 1.00 0.00 H new ATOM 0 HB1 ALA A 50 -1.830 2.196 -3.317 1.00 0.00 H new ATOM 0 HB2 ALA A 50 -1.197 0.542 -3.499 1.00 0.00 H new ATOM 0 HB3 ALA A 50 -2.020 1.020 -1.995 1.00 0.00 H new ATOM 825 N LEU A 51 -0.611 2.781 -0.048 1.00 0.00 N ATOM 826 CA LEU A 51 -0.808 3.861 0.894 1.00 0.00 C ATOM 827 C LEU A 51 0.526 4.544 1.195 1.00 0.00 C ATOM 828 O LEU A 51 0.559 5.653 1.727 1.00 0.00 O ATOM 829 CB LEU A 51 -1.453 3.310 2.172 1.00 0.00 C ATOM 830 CG LEU A 51 -1.202 4.112 3.451 1.00 0.00 C ATOM 831 CD1 LEU A 51 -1.668 5.544 3.284 1.00 0.00 C ATOM 832 CD2 LEU A 51 -1.913 3.471 4.630 1.00 0.00 C ATOM 0 H LEU A 51 -0.796 1.851 0.328 1.00 0.00 H new ATOM 0 HA LEU A 51 -1.475 4.608 0.464 1.00 0.00 H new ATOM 0 HB2 LEU A 51 -2.529 3.245 2.013 1.00 0.00 H new ATOM 0 HB3 LEU A 51 -1.092 2.293 2.328 1.00 0.00 H new ATOM 0 HG LEU A 51 -0.129 4.113 3.645 1.00 0.00 H new ATOM 0 HD11 LEU A 51 -1.481 6.097 4.204 1.00 0.00 H new ATOM 0 HD12 LEU A 51 -1.123 6.010 2.463 1.00 0.00 H new ATOM 0 HD13 LEU A 51 -2.736 5.556 3.064 1.00 0.00 H new ATOM 0 HD21 LEU A 51 -1.723 4.055 5.531 1.00 0.00 H new ATOM 0 HD22 LEU A 51 -2.985 3.441 4.436 1.00 0.00 H new ATOM 0 HD23 LEU A 51 -1.542 2.456 4.771 1.00 0.00 H new ATOM 844 N ASN A 52 1.627 3.884 0.838 1.00 0.00 N ATOM 845 CA ASN A 52 2.954 4.444 1.067 1.00 0.00 C ATOM 846 C ASN A 52 3.996 3.788 0.142 1.00 0.00 C ATOM 847 O ASN A 52 4.224 4.261 -0.974 1.00 0.00 O ATOM 848 CB ASN A 52 3.324 4.279 2.546 1.00 0.00 C ATOM 849 CG ASN A 52 4.783 4.553 2.826 1.00 0.00 C ATOM 850 OD1 ASN A 52 5.307 5.614 2.487 1.00 0.00 O ATOM 851 ND2 ASN A 52 5.441 3.596 3.461 1.00 0.00 N ATOM 0 H ASN A 52 1.625 2.967 0.392 1.00 0.00 H new ATOM 0 HA ASN A 52 2.945 5.507 0.827 1.00 0.00 H new ATOM 0 HB2 ASN A 52 2.712 4.954 3.145 1.00 0.00 H new ATOM 0 HB3 ASN A 52 3.084 3.264 2.864 1.00 0.00 H new ATOM 0 HD21 ASN A 52 6.427 3.721 3.690 1.00 0.00 H new ATOM 0 HD22 ASN A 52 4.962 2.734 3.721 1.00 0.00 H new ATOM 858 N ARG A 53 4.612 2.695 0.605 1.00 0.00 N ATOM 859 CA ARG A 53 5.618 1.967 -0.185 1.00 0.00 C ATOM 860 C ARG A 53 6.363 0.955 0.685 1.00 0.00 C ATOM 861 O ARG A 53 6.765 -0.113 0.220 1.00 0.00 O ATOM 862 CB ARG A 53 6.628 2.933 -0.817 1.00 0.00 C ATOM 863 CG ARG A 53 7.308 3.850 0.187 1.00 0.00 C ATOM 864 CD ARG A 53 8.688 3.333 0.577 1.00 0.00 C ATOM 865 NE ARG A 53 9.754 3.931 -0.227 1.00 0.00 N ATOM 866 CZ ARG A 53 10.888 4.419 0.278 1.00 0.00 C ATOM 867 NH1 ARG A 53 11.140 4.336 1.581 1.00 0.00 N ATOM 868 NH2 ARG A 53 11.783 4.978 -0.525 1.00 0.00 N ATOM 0 H ARG A 53 4.433 2.292 1.525 1.00 0.00 H new ATOM 0 HA ARG A 53 5.089 1.438 -0.978 1.00 0.00 H new ATOM 0 HB2 ARG A 53 7.389 2.356 -1.342 1.00 0.00 H new ATOM 0 HB3 ARG A 53 6.117 3.541 -1.563 1.00 0.00 H new ATOM 0 HG2 ARG A 53 7.400 4.850 -0.237 1.00 0.00 H new ATOM 0 HG3 ARG A 53 6.687 3.938 1.078 1.00 0.00 H new ATOM 0 HD2 ARG A 53 8.868 3.545 1.631 1.00 0.00 H new ATOM 0 HD3 ARG A 53 8.713 2.249 0.461 1.00 0.00 H new ATOM 0 HE ARG A 53 9.622 3.978 -1.237 1.00 0.00 H new ATOM 0 HH11 ARG A 53 10.463 3.896 2.204 1.00 0.00 H new ATOM 0 HH12 ARG A 53 12.010 4.712 1.957 1.00 0.00 H new ATOM 0 HH21 ARG A 53 11.604 5.034 -1.528 1.00 0.00 H new ATOM 0 HH22 ARG A 53 12.651 5.352 -0.140 1.00 0.00 H new ATOM 882 N ASP A 54 6.548 1.315 1.949 1.00 0.00 N ATOM 883 CA ASP A 54 7.248 0.471 2.913 1.00 0.00 C ATOM 884 C ASP A 54 6.448 0.368 4.210 1.00 0.00 C ATOM 885 O ASP A 54 5.628 1.234 4.511 1.00 0.00 O ATOM 886 CB ASP A 54 8.629 1.064 3.210 1.00 0.00 C ATOM 887 CG ASP A 54 9.756 0.086 2.950 1.00 0.00 C ATOM 888 OD1 ASP A 54 9.914 -0.344 1.788 1.00 0.00 O ATOM 889 OD2 ASP A 54 10.484 -0.249 3.908 1.00 0.00 O ATOM 0 H ASP A 54 6.218 2.199 2.336 1.00 0.00 H new ATOM 0 HA ASP A 54 7.361 -0.526 2.488 1.00 0.00 H new ATOM 0 HB2 ASP A 54 8.777 1.953 2.597 1.00 0.00 H new ATOM 0 HB3 ASP A 54 8.665 1.385 4.251 1.00 0.00 H new ATOM 894 N PRO A 55 6.678 -0.692 5.000 1.00 0.00 N ATOM 895 CA PRO A 55 5.972 -0.886 6.267 1.00 0.00 C ATOM 896 C PRO A 55 6.448 0.075 7.354 1.00 0.00 C ATOM 897 O PRO A 55 5.769 0.267 8.357 1.00 0.00 O ATOM 898 CB PRO A 55 6.316 -2.326 6.646 1.00 0.00 C ATOM 899 CG PRO A 55 7.638 -2.576 6.008 1.00 0.00 C ATOM 900 CD PRO A 55 7.638 -1.780 4.729 1.00 0.00 C ATOM 0 HA PRO A 55 4.903 -0.697 6.168 1.00 0.00 H new ATOM 0 HB2 PRO A 55 6.368 -2.450 7.728 1.00 0.00 H new ATOM 0 HB3 PRO A 55 5.562 -3.023 6.281 1.00 0.00 H new ATOM 0 HG2 PRO A 55 8.452 -2.264 6.662 1.00 0.00 H new ATOM 0 HG3 PRO A 55 7.780 -3.638 5.807 1.00 0.00 H new ATOM 0 HD2 PRO A 55 8.630 -1.392 4.498 1.00 0.00 H new ATOM 0 HD3 PRO A 55 7.327 -2.387 3.879 1.00 0.00 H new ATOM 908 N GLN A 56 7.621 0.672 7.154 1.00 0.00 N ATOM 909 CA GLN A 56 8.183 1.604 8.133 1.00 0.00 C ATOM 910 C GLN A 56 7.363 2.887 8.218 1.00 0.00 C ATOM 911 O GLN A 56 7.042 3.365 9.307 1.00 0.00 O ATOM 912 CB GLN A 56 9.629 1.945 7.770 1.00 0.00 C ATOM 913 CG GLN A 56 10.658 1.105 8.506 1.00 0.00 C ATOM 914 CD GLN A 56 11.274 1.836 9.684 1.00 0.00 C ATOM 915 OE1 GLN A 56 11.100 3.045 9.839 1.00 0.00 O ATOM 916 NE2 GLN A 56 12.003 1.103 10.518 1.00 0.00 N ATOM 0 H GLN A 56 8.200 0.529 6.327 1.00 0.00 H new ATOM 0 HA GLN A 56 8.156 1.114 9.107 1.00 0.00 H new ATOM 0 HB2 GLN A 56 9.766 1.813 6.697 1.00 0.00 H new ATOM 0 HB3 GLN A 56 9.810 2.998 7.987 1.00 0.00 H new ATOM 0 HG2 GLN A 56 10.187 0.187 8.859 1.00 0.00 H new ATOM 0 HG3 GLN A 56 11.446 0.813 7.812 1.00 0.00 H new ATOM 0 HE21 GLN A 56 12.120 0.104 10.350 1.00 0.00 H new ATOM 0 HE22 GLN A 56 12.446 1.539 11.327 1.00 0.00 H new ATOM 925 N HIS A 57 7.023 3.439 7.064 1.00 0.00 N ATOM 926 CA HIS A 57 6.240 4.666 7.010 1.00 0.00 C ATOM 927 C HIS A 57 4.815 4.405 7.475 1.00 0.00 C ATOM 928 O HIS A 57 4.358 4.982 8.459 1.00 0.00 O ATOM 929 CB HIS A 57 6.235 5.224 5.588 1.00 0.00 C ATOM 930 CG HIS A 57 6.733 6.627 5.485 1.00 0.00 C ATOM 931 ND1 HIS A 57 7.267 7.144 4.326 1.00 0.00 N ATOM 932 CD2 HIS A 57 6.782 7.626 6.398 1.00 0.00 C ATOM 933 CE1 HIS A 57 7.623 8.399 4.525 1.00 0.00 C ATOM 934 NE2 HIS A 57 7.339 8.717 5.775 1.00 0.00 N ATOM 0 H HIS A 57 7.276 3.058 6.152 1.00 0.00 H new ATOM 0 HA HIS A 57 6.695 5.400 7.675 1.00 0.00 H new ATOM 0 HB2 HIS A 57 6.850 4.584 4.955 1.00 0.00 H new ATOM 0 HB3 HIS A 57 5.219 5.180 5.195 1.00 0.00 H new ATOM 0 HD2 HIS A 57 6.446 7.575 7.423 1.00 0.00 H new ATOM 0 HE1 HIS A 57 8.070 9.054 3.792 1.00 0.00 H new ATOM 0 HE2 HIS A 57 7.506 9.625 6.208 1.00 0.00 H new ATOM 942 N LEU A 58 4.123 3.529 6.756 1.00 0.00 N ATOM 943 CA LEU A 58 2.746 3.185 7.084 1.00 0.00 C ATOM 944 C LEU A 58 2.567 2.982 8.575 1.00 0.00 C ATOM 945 O LEU A 58 1.608 3.471 9.171 1.00 0.00 O ATOM 946 CB LEU A 58 2.325 1.913 6.363 1.00 0.00 C ATOM 947 CG LEU A 58 0.891 1.937 5.859 1.00 0.00 C ATOM 948 CD1 LEU A 58 0.876 2.093 4.352 1.00 0.00 C ATOM 949 CD2 LEU A 58 0.141 0.685 6.294 1.00 0.00 C ATOM 0 H LEU A 58 4.495 3.043 5.940 1.00 0.00 H new ATOM 0 HA LEU A 58 2.121 4.018 6.761 1.00 0.00 H new ATOM 0 HB2 LEU A 58 2.994 1.747 5.519 1.00 0.00 H new ATOM 0 HB3 LEU A 58 2.448 1.066 7.038 1.00 0.00 H new ATOM 0 HG LEU A 58 0.378 2.792 6.298 1.00 0.00 H new ATOM 0 HD11 LEU A 58 -0.155 2.109 3.998 1.00 0.00 H new ATOM 0 HD12 LEU A 58 1.369 3.026 4.078 1.00 0.00 H new ATOM 0 HD13 LEU A 58 1.403 1.256 3.894 1.00 0.00 H new ATOM 0 HD21 LEU A 58 -0.882 0.726 5.921 1.00 0.00 H new ATOM 0 HD22 LEU A 58 0.639 -0.196 5.890 1.00 0.00 H new ATOM 0 HD23 LEU A 58 0.129 0.628 7.382 1.00 0.00 H new ATOM 961 N LEU A 59 3.498 2.252 9.167 1.00 0.00 N ATOM 962 CA LEU A 59 3.447 1.974 10.587 1.00 0.00 C ATOM 963 C LEU A 59 3.439 3.271 11.384 1.00 0.00 C ATOM 964 O LEU A 59 2.517 3.536 12.143 1.00 0.00 O ATOM 965 CB LEU A 59 4.629 1.098 10.998 1.00 0.00 C ATOM 966 CG LEU A 59 4.356 0.159 12.171 1.00 0.00 C ATOM 967 CD1 LEU A 59 4.790 -1.260 11.830 1.00 0.00 C ATOM 968 CD2 LEU A 59 5.056 0.657 13.428 1.00 0.00 C ATOM 0 H LEU A 59 4.297 1.842 8.683 1.00 0.00 H new ATOM 0 HA LEU A 59 2.525 1.434 10.803 1.00 0.00 H new ATOM 0 HB2 LEU A 59 4.937 0.502 10.139 1.00 0.00 H new ATOM 0 HB3 LEU A 59 5.469 1.744 11.256 1.00 0.00 H new ATOM 0 HG LEU A 59 3.283 0.147 12.364 1.00 0.00 H new ATOM 0 HD11 LEU A 59 4.588 -1.916 12.677 1.00 0.00 H new ATOM 0 HD12 LEU A 59 4.236 -1.611 10.959 1.00 0.00 H new ATOM 0 HD13 LEU A 59 5.857 -1.271 11.609 1.00 0.00 H new ATOM 0 HD21 LEU A 59 4.850 -0.025 14.253 1.00 0.00 H new ATOM 0 HD22 LEU A 59 6.131 0.701 13.253 1.00 0.00 H new ATOM 0 HD23 LEU A 59 4.689 1.652 13.679 1.00 0.00 H new ATOM 980 N LYS A 60 4.464 4.087 11.197 1.00 0.00 N ATOM 981 CA LYS A 60 4.556 5.358 11.901 1.00 0.00 C ATOM 982 C LYS A 60 3.332 6.231 11.627 1.00 0.00 C ATOM 983 O LYS A 60 2.903 7.000 12.489 1.00 0.00 O ATOM 984 CB LYS A 60 5.828 6.094 11.485 1.00 0.00 C ATOM 985 CG LYS A 60 5.993 7.449 12.151 1.00 0.00 C ATOM 986 CD LYS A 60 7.013 7.400 13.277 1.00 0.00 C ATOM 987 CE LYS A 60 7.998 8.554 13.184 1.00 0.00 C ATOM 988 NZ LYS A 60 8.929 8.395 12.032 1.00 0.00 N ATOM 0 H LYS A 60 5.242 3.894 10.566 1.00 0.00 H new ATOM 0 HA LYS A 60 4.592 5.152 12.971 1.00 0.00 H new ATOM 0 HB2 LYS A 60 6.691 5.473 11.725 1.00 0.00 H new ATOM 0 HB3 LYS A 60 5.822 6.229 10.403 1.00 0.00 H new ATOM 0 HG2 LYS A 60 6.305 8.184 11.409 1.00 0.00 H new ATOM 0 HG3 LYS A 60 5.032 7.781 12.544 1.00 0.00 H new ATOM 0 HD2 LYS A 60 6.499 7.435 14.237 1.00 0.00 H new ATOM 0 HD3 LYS A 60 7.554 6.454 13.239 1.00 0.00 H new ATOM 0 HE2 LYS A 60 7.451 9.491 13.083 1.00 0.00 H new ATOM 0 HE3 LYS A 60 8.571 8.618 14.109 1.00 0.00 H new ATOM 0 HZ1 LYS A 60 9.706 9.081 12.116 1.00 0.00 H new ATOM 0 HZ2 LYS A 60 9.318 7.430 12.030 1.00 0.00 H new ATOM 0 HZ3 LYS A 60 8.414 8.562 11.144 1.00 0.00 H new ATOM 1002 N PHE A 61 2.777 6.114 10.425 1.00 0.00 N ATOM 1003 CA PHE A 61 1.609 6.900 10.041 1.00 0.00 C ATOM 1004 C PHE A 61 0.406 6.563 10.919 1.00 0.00 C ATOM 1005 O PHE A 61 -0.232 7.452 11.482 1.00 0.00 O ATOM 1006 CB PHE A 61 1.269 6.663 8.569 1.00 0.00 C ATOM 1007 CG PHE A 61 1.580 7.839 7.686 1.00 0.00 C ATOM 1008 CD1 PHE A 61 2.880 8.088 7.277 1.00 0.00 C ATOM 1009 CD2 PHE A 61 0.575 8.698 7.269 1.00 0.00 C ATOM 1010 CE1 PHE A 61 3.172 9.171 6.470 1.00 0.00 C ATOM 1011 CE2 PHE A 61 0.860 9.782 6.461 1.00 0.00 C ATOM 1012 CZ PHE A 61 2.162 10.019 6.062 1.00 0.00 C ATOM 0 H PHE A 61 3.117 5.483 9.700 1.00 0.00 H new ATOM 0 HA PHE A 61 1.851 7.953 10.184 1.00 0.00 H new ATOM 0 HB2 PHE A 61 1.822 5.794 8.212 1.00 0.00 H new ATOM 0 HB3 PHE A 61 0.209 6.424 8.483 1.00 0.00 H new ATOM 0 HD1 PHE A 61 3.674 7.428 7.593 1.00 0.00 H new ATOM 0 HD2 PHE A 61 -0.444 8.518 7.580 1.00 0.00 H new ATOM 0 HE1 PHE A 61 4.190 9.354 6.159 1.00 0.00 H new ATOM 0 HE2 PHE A 61 0.067 10.443 6.142 1.00 0.00 H new ATOM 0 HZ PHE A 61 2.389 10.866 5.432 1.00 0.00 H new ATOM 1022 N LEU A 62 0.095 5.276 11.024 1.00 0.00 N ATOM 1023 CA LEU A 62 -1.034 4.832 11.830 1.00 0.00 C ATOM 1024 C LEU A 62 -0.879 5.260 13.286 1.00 0.00 C ATOM 1025 O LEU A 62 -1.839 5.699 13.912 1.00 0.00 O ATOM 1026 CB LEU A 62 -1.193 3.310 11.724 1.00 0.00 C ATOM 1027 CG LEU A 62 -0.188 2.481 12.528 1.00 0.00 C ATOM 1028 CD1 LEU A 62 -0.741 2.146 13.905 1.00 0.00 C ATOM 1029 CD2 LEU A 62 0.177 1.210 11.776 1.00 0.00 C ATOM 0 H LEU A 62 0.607 4.525 10.562 1.00 0.00 H new ATOM 0 HA LEU A 62 -1.936 5.306 11.443 1.00 0.00 H new ATOM 0 HB2 LEU A 62 -2.199 3.044 12.050 1.00 0.00 H new ATOM 0 HB3 LEU A 62 -1.113 3.027 10.674 1.00 0.00 H new ATOM 0 HG LEU A 62 0.715 3.076 12.660 1.00 0.00 H new ATOM 0 HD11 LEU A 62 -0.009 1.557 14.457 1.00 0.00 H new ATOM 0 HD12 LEU A 62 -0.949 3.068 14.448 1.00 0.00 H new ATOM 0 HD13 LEU A 62 -1.662 1.573 13.798 1.00 0.00 H new ATOM 0 HD21 LEU A 62 0.892 0.633 12.362 1.00 0.00 H new ATOM 0 HD22 LEU A 62 -0.721 0.614 11.611 1.00 0.00 H new ATOM 0 HD23 LEU A 62 0.622 1.470 10.815 1.00 0.00 H new ATOM 1041 N LEU A 63 0.331 5.155 13.815 1.00 0.00 N ATOM 1042 CA LEU A 63 0.590 5.549 15.194 1.00 0.00 C ATOM 1043 C LEU A 63 0.464 7.063 15.353 1.00 0.00 C ATOM 1044 O LEU A 63 0.239 7.568 16.453 1.00 0.00 O ATOM 1045 CB LEU A 63 1.980 5.079 15.630 1.00 0.00 C ATOM 1046 CG LEU A 63 2.425 3.730 15.052 1.00 0.00 C ATOM 1047 CD1 LEU A 63 3.943 3.637 14.993 1.00 0.00 C ATOM 1048 CD2 LEU A 63 1.850 2.579 15.867 1.00 0.00 C ATOM 0 H LEU A 63 1.146 4.802 13.314 1.00 0.00 H new ATOM 0 HA LEU A 63 -0.154 5.074 15.834 1.00 0.00 H new ATOM 0 HB2 LEU A 63 2.709 5.837 15.343 1.00 0.00 H new ATOM 0 HB3 LEU A 63 1.999 5.014 16.718 1.00 0.00 H new ATOM 0 HG LEU A 63 2.041 3.657 14.035 1.00 0.00 H new ATOM 0 HD11 LEU A 63 4.233 2.671 14.579 1.00 0.00 H new ATOM 0 HD12 LEU A 63 4.332 4.434 14.360 1.00 0.00 H new ATOM 0 HD13 LEU A 63 4.353 3.739 15.998 1.00 0.00 H new ATOM 0 HD21 LEU A 63 2.178 1.631 15.440 1.00 0.00 H new ATOM 0 HD22 LEU A 63 2.199 2.653 16.897 1.00 0.00 H new ATOM 0 HD23 LEU A 63 0.761 2.628 15.848 1.00 0.00 H new ATOM 1060 N ARG A 64 0.612 7.780 14.241 1.00 0.00 N ATOM 1061 CA ARG A 64 0.515 9.236 14.249 1.00 0.00 C ATOM 1062 C ARG A 64 -0.939 9.690 14.376 1.00 0.00 C ATOM 1063 O ARG A 64 -1.236 10.652 15.086 1.00 0.00 O ATOM 1064 CB ARG A 64 1.138 9.820 12.978 1.00 0.00 C ATOM 1065 CG ARG A 64 2.560 10.327 13.171 1.00 0.00 C ATOM 1066 CD ARG A 64 2.626 11.430 14.217 1.00 0.00 C ATOM 1067 NE ARG A 64 2.140 12.707 13.702 1.00 0.00 N ATOM 1068 CZ ARG A 64 2.928 13.729 13.369 1.00 0.00 C ATOM 1069 NH1 ARG A 64 4.248 13.628 13.477 1.00 0.00 N ATOM 1070 NH2 ARG A 64 2.394 14.856 12.922 1.00 0.00 N ATOM 0 H ARG A 64 0.799 7.375 13.324 1.00 0.00 H new ATOM 0 HA ARG A 64 1.065 9.604 15.115 1.00 0.00 H new ATOM 0 HB2 ARG A 64 1.136 9.057 12.199 1.00 0.00 H new ATOM 0 HB3 ARG A 64 0.514 10.640 12.622 1.00 0.00 H new ATOM 0 HG2 ARG A 64 3.203 9.500 13.472 1.00 0.00 H new ATOM 0 HG3 ARG A 64 2.945 10.701 12.222 1.00 0.00 H new ATOM 0 HD2 ARG A 64 2.034 11.141 15.085 1.00 0.00 H new ATOM 0 HD3 ARG A 64 3.655 11.545 14.557 1.00 0.00 H new ATOM 0 HE ARG A 64 1.133 12.824 13.590 1.00 0.00 H new ATOM 0 HH11 ARG A 64 4.667 12.763 13.817 1.00 0.00 H new ATOM 0 HH12 ARG A 64 4.843 14.416 13.220 1.00 0.00 H new ATOM 0 HH21 ARG A 64 1.381 14.940 12.833 1.00 0.00 H new ATOM 0 HH22 ARG A 64 2.995 15.639 12.667 1.00 0.00 H new ATOM 1084 N GLU A 65 -1.842 8.998 13.682 1.00 0.00 N ATOM 1085 CA GLU A 65 -3.262 9.342 13.721 1.00 0.00 C ATOM 1086 C GLU A 65 -4.009 8.507 14.758 1.00 0.00 C ATOM 1087 O GLU A 65 -4.851 9.023 15.492 1.00 0.00 O ATOM 1088 CB GLU A 65 -3.900 9.145 12.344 1.00 0.00 C ATOM 1089 CG GLU A 65 -3.400 10.119 11.291 1.00 0.00 C ATOM 1090 CD GLU A 65 -3.515 9.558 9.887 1.00 0.00 C ATOM 1091 OE1 GLU A 65 -2.585 8.845 9.455 1.00 0.00 O ATOM 1092 OE2 GLU A 65 -4.536 9.831 9.221 1.00 0.00 O ATOM 0 H GLU A 65 -1.617 8.200 13.089 1.00 0.00 H new ATOM 0 HA GLU A 65 -3.337 10.391 14.006 1.00 0.00 H new ATOM 0 HB2 GLU A 65 -3.705 8.127 12.006 1.00 0.00 H new ATOM 0 HB3 GLU A 65 -4.981 9.248 12.437 1.00 0.00 H new ATOM 0 HG2 GLU A 65 -3.970 11.046 11.357 1.00 0.00 H new ATOM 0 HG3 GLU A 65 -2.359 10.369 11.496 1.00 0.00 H new ATOM 1099 N LEU A 66 -3.700 7.217 14.809 1.00 0.00 N ATOM 1100 CA LEU A 66 -4.346 6.313 15.756 1.00 0.00 C ATOM 1101 C LEU A 66 -3.827 6.570 17.169 1.00 0.00 C ATOM 1102 O LEU A 66 -2.750 6.103 17.540 1.00 0.00 O ATOM 1103 CB LEU A 66 -4.102 4.852 15.352 1.00 0.00 C ATOM 1104 CG LEU A 66 -4.997 4.289 14.226 1.00 0.00 C ATOM 1105 CD1 LEU A 66 -5.521 5.371 13.281 1.00 0.00 C ATOM 1106 CD2 LEU A 66 -4.246 3.231 13.435 1.00 0.00 C ATOM 0 H LEU A 66 -3.007 6.773 14.207 1.00 0.00 H new ATOM 0 HA LEU A 66 -5.420 6.500 15.741 1.00 0.00 H new ATOM 0 HB2 LEU A 66 -3.062 4.753 15.042 1.00 0.00 H new ATOM 0 HB3 LEU A 66 -4.232 4.227 16.236 1.00 0.00 H new ATOM 0 HG LEU A 66 -5.865 3.843 14.712 1.00 0.00 H new ATOM 0 HD11 LEU A 66 -6.143 4.913 12.512 1.00 0.00 H new ATOM 0 HD12 LEU A 66 -6.114 6.091 13.845 1.00 0.00 H new ATOM 0 HD13 LEU A 66 -4.681 5.882 12.811 1.00 0.00 H new ATOM 0 HD21 LEU A 66 -4.889 2.843 12.645 1.00 0.00 H new ATOM 0 HD22 LEU A 66 -3.353 3.673 12.992 1.00 0.00 H new ATOM 0 HD23 LEU A 66 -3.956 2.417 14.100 1.00 0.00 H new ATOM 1118 N GLY A 67 -4.594 7.322 17.952 1.00 0.00 N ATOM 1119 CA GLY A 67 -4.188 7.634 19.312 1.00 0.00 C ATOM 1120 C GLY A 67 -4.459 6.503 20.285 1.00 0.00 C ATOM 1121 O GLY A 67 -4.810 6.741 21.441 1.00 0.00 O ATOM 0 H GLY A 67 -5.489 7.721 17.670 1.00 0.00 H new ATOM 0 HA2 GLY A 67 -3.124 7.868 19.323 1.00 0.00 H new ATOM 0 HA3 GLY A 67 -4.714 8.528 19.647 1.00 0.00 H new ATOM 1125 N THR A 68 -4.295 5.273 19.818 1.00 0.00 N ATOM 1126 CA THR A 68 -4.520 4.099 20.644 1.00 0.00 C ATOM 1127 C THR A 68 -3.279 3.218 20.661 1.00 0.00 C ATOM 1128 O THR A 68 -2.347 3.435 19.886 1.00 0.00 O ATOM 1129 CB THR A 68 -5.714 3.304 20.127 1.00 0.00 C ATOM 1130 OG1 THR A 68 -5.358 2.568 18.973 1.00 0.00 O ATOM 1131 CG2 THR A 68 -6.895 4.176 19.776 1.00 0.00 C ATOM 0 H THR A 68 -4.004 5.063 18.863 1.00 0.00 H new ATOM 0 HA THR A 68 -4.732 4.430 21.660 1.00 0.00 H new ATOM 0 HB THR A 68 -6.004 2.640 20.941 1.00 0.00 H new ATOM 0 HG1 THR A 68 -4.898 3.157 18.339 1.00 0.00 H new ATOM 0 HG21 THR A 68 -7.713 3.553 19.414 1.00 0.00 H new ATOM 0 HG22 THR A 68 -7.220 4.723 20.661 1.00 0.00 H new ATOM 0 HG23 THR A 68 -6.607 4.883 18.998 1.00 0.00 H new ATOM 1139 N ALA A 69 -3.274 2.230 21.551 1.00 0.00 N ATOM 1140 CA ALA A 69 -2.149 1.304 21.688 1.00 0.00 C ATOM 1141 C ALA A 69 -1.495 0.987 20.343 1.00 0.00 C ATOM 1142 O ALA A 69 -0.374 1.415 20.071 1.00 0.00 O ATOM 1143 CB ALA A 69 -2.618 0.021 22.362 1.00 0.00 C ATOM 0 H ALA A 69 -4.044 2.047 22.195 1.00 0.00 H new ATOM 0 HA ALA A 69 -1.394 1.789 22.306 1.00 0.00 H new ATOM 0 HB1 ALA A 69 -1.777 -0.666 22.462 1.00 0.00 H new ATOM 0 HB2 ALA A 69 -3.016 0.253 23.350 1.00 0.00 H new ATOM 0 HB3 ALA A 69 -3.396 -0.444 21.757 1.00 0.00 H new ATOM 1149 N GLY A 70 -2.201 0.231 19.510 1.00 0.00 N ATOM 1150 CA GLY A 70 -1.669 -0.134 18.210 1.00 0.00 C ATOM 1151 C GLY A 70 -1.000 -1.495 18.231 1.00 0.00 C ATOM 1152 O GLY A 70 0.128 -1.633 18.707 1.00 0.00 O ATOM 0 H GLY A 70 -3.131 -0.135 19.711 1.00 0.00 H new ATOM 0 HA2 GLY A 70 -2.475 -0.138 17.477 1.00 0.00 H new ATOM 0 HA3 GLY A 70 -0.949 0.619 17.889 1.00 0.00 H new ATOM 1156 N ASN A 71 -1.693 -2.501 17.709 1.00 0.00 N ATOM 1157 CA ASN A 71 -1.158 -3.859 17.662 1.00 0.00 C ATOM 1158 C ASN A 71 -1.958 -4.731 16.701 1.00 0.00 C ATOM 1159 O ASN A 71 -2.997 -4.321 16.198 1.00 0.00 O ATOM 1160 CB ASN A 71 -1.169 -4.481 19.060 1.00 0.00 C ATOM 1161 CG ASN A 71 -0.188 -5.629 19.190 1.00 0.00 C ATOM 1162 OD1 ASN A 71 1.013 -5.463 18.972 1.00 0.00 O ATOM 1163 ND2 ASN A 71 -0.697 -6.805 19.541 1.00 0.00 N ATOM 0 H ASN A 71 -2.627 -2.403 17.312 1.00 0.00 H new ATOM 0 HA ASN A 71 -0.131 -3.803 17.301 1.00 0.00 H new ATOM 0 HB2 ASN A 71 -0.928 -3.715 19.797 1.00 0.00 H new ATOM 0 HB3 ASN A 71 -2.173 -4.838 19.288 1.00 0.00 H new ATOM 0 HD21 ASN A 71 -0.086 -7.616 19.640 1.00 0.00 H new ATOM 0 HD22 ASN A 71 -1.698 -6.897 19.712 1.00 0.00 H new ATOM 1170 N LEU A 72 -1.474 -5.940 16.454 1.00 0.00 N ATOM 1171 CA LEU A 72 -2.160 -6.862 15.555 1.00 0.00 C ATOM 1172 C LEU A 72 -3.028 -7.849 16.339 1.00 0.00 C ATOM 1173 O LEU A 72 -2.518 -8.673 17.095 1.00 0.00 O ATOM 1174 CB LEU A 72 -1.145 -7.618 14.683 1.00 0.00 C ATOM 1175 CG LEU A 72 0.227 -7.855 15.322 1.00 0.00 C ATOM 1176 CD1 LEU A 72 0.109 -8.795 16.511 1.00 0.00 C ATOM 1177 CD2 LEU A 72 1.205 -8.413 14.297 1.00 0.00 C ATOM 0 H LEU A 72 -0.613 -6.306 16.861 1.00 0.00 H new ATOM 0 HA LEU A 72 -2.812 -6.278 14.906 1.00 0.00 H new ATOM 0 HB2 LEU A 72 -1.572 -8.584 14.413 1.00 0.00 H new ATOM 0 HB3 LEU A 72 -1.003 -7.062 13.756 1.00 0.00 H new ATOM 0 HG LEU A 72 0.609 -6.898 15.677 1.00 0.00 H new ATOM 0 HD11 LEU A 72 1.094 -8.951 16.951 1.00 0.00 H new ATOM 0 HD12 LEU A 72 -0.556 -8.358 17.256 1.00 0.00 H new ATOM 0 HD13 LEU A 72 -0.296 -9.751 16.180 1.00 0.00 H new ATOM 0 HD21 LEU A 72 2.174 -8.575 14.769 1.00 0.00 H new ATOM 0 HD22 LEU A 72 0.827 -9.360 13.911 1.00 0.00 H new ATOM 0 HD23 LEU A 72 1.315 -7.705 13.476 1.00 0.00 H new ATOM 1189 N GLU A 73 -4.345 -7.770 16.139 1.00 0.00 N ATOM 1190 CA GLU A 73 -5.279 -8.669 16.817 1.00 0.00 C ATOM 1191 C GLU A 73 -5.683 -9.806 15.883 1.00 0.00 C ATOM 1192 O GLU A 73 -5.659 -9.654 14.660 1.00 0.00 O ATOM 1193 CB GLU A 73 -6.532 -7.909 17.279 1.00 0.00 C ATOM 1194 CG GLU A 73 -6.969 -8.226 18.701 1.00 0.00 C ATOM 1195 CD GLU A 73 -8.450 -8.549 18.794 1.00 0.00 C ATOM 1196 OE1 GLU A 73 -9.171 -8.333 17.797 1.00 0.00 O ATOM 1197 OE2 GLU A 73 -8.888 -9.020 19.865 1.00 0.00 O ATOM 0 H GLU A 73 -4.787 -7.095 15.515 1.00 0.00 H new ATOM 0 HA GLU A 73 -4.779 -9.081 17.694 1.00 0.00 H new ATOM 0 HB2 GLU A 73 -6.343 -6.838 17.200 1.00 0.00 H new ATOM 0 HB3 GLU A 73 -7.353 -8.139 16.600 1.00 0.00 H new ATOM 0 HG2 GLU A 73 -6.392 -9.071 19.076 1.00 0.00 H new ATOM 0 HG3 GLU A 73 -6.744 -7.376 19.345 1.00 0.00 H new ATOM 1204 N GLY A 74 -6.055 -10.942 16.464 1.00 0.00 N ATOM 1205 CA GLY A 74 -6.464 -12.089 15.671 1.00 0.00 C ATOM 1206 C GLY A 74 -5.410 -12.522 14.669 1.00 0.00 C ATOM 1207 O GLY A 74 -4.337 -11.925 14.586 1.00 0.00 O ATOM 0 H GLY A 74 -6.081 -11.090 17.473 1.00 0.00 H new ATOM 0 HA2 GLY A 74 -6.689 -12.922 16.336 1.00 0.00 H new ATOM 0 HA3 GLY A 74 -7.385 -11.847 15.140 1.00 0.00 H new ATOM 1211 N GLY A 75 -5.722 -13.568 13.903 1.00 0.00 N ATOM 1212 CA GLY A 75 -4.792 -14.070 12.907 1.00 0.00 C ATOM 1213 C GLY A 75 -4.302 -12.984 11.967 1.00 0.00 C ATOM 1214 O GLY A 75 -3.148 -12.999 11.537 1.00 0.00 O ATOM 0 H GLY A 75 -6.605 -14.076 13.956 1.00 0.00 H new ATOM 0 HA2 GLY A 75 -3.937 -14.524 13.409 1.00 0.00 H new ATOM 0 HA3 GLY A 75 -5.275 -14.856 12.327 1.00 0.00 H new ATOM 1218 N ARG A 76 -5.181 -12.034 11.652 1.00 0.00 N ATOM 1219 CA ARG A 76 -4.829 -10.929 10.764 1.00 0.00 C ATOM 1220 C ARG A 76 -4.256 -9.766 11.572 1.00 0.00 C ATOM 1221 O ARG A 76 -4.031 -9.899 12.774 1.00 0.00 O ATOM 1222 CB ARG A 76 -6.051 -10.480 9.953 1.00 0.00 C ATOM 1223 CG ARG A 76 -7.312 -10.282 10.782 1.00 0.00 C ATOM 1224 CD ARG A 76 -8.477 -9.824 9.918 1.00 0.00 C ATOM 1225 NE ARG A 76 -9.766 -10.144 10.523 1.00 0.00 N ATOM 1226 CZ ARG A 76 -10.179 -11.383 10.783 1.00 0.00 C ATOM 1227 NH1 ARG A 76 -9.434 -12.426 10.439 1.00 0.00 N ATOM 1228 NH2 ARG A 76 -11.351 -11.580 11.370 1.00 0.00 N ATOM 0 H ARG A 76 -6.140 -12.008 11.998 1.00 0.00 H new ATOM 0 HA ARG A 76 -4.067 -11.271 10.064 1.00 0.00 H new ATOM 0 HB2 ARG A 76 -5.813 -9.545 9.446 1.00 0.00 H new ATOM 0 HB3 ARG A 76 -6.251 -11.221 9.179 1.00 0.00 H new ATOM 0 HG2 ARG A 76 -7.572 -11.216 11.281 1.00 0.00 H new ATOM 0 HG3 ARG A 76 -7.124 -9.545 11.563 1.00 0.00 H new ATOM 0 HD2 ARG A 76 -8.409 -8.748 9.758 1.00 0.00 H new ATOM 0 HD3 ARG A 76 -8.409 -10.297 8.938 1.00 0.00 H new ATOM 0 HE ARG A 76 -10.388 -9.372 10.761 1.00 0.00 H new ATOM 0 HH11 ARG A 76 -8.539 -12.281 9.972 1.00 0.00 H new ATOM 0 HH12 ARG A 76 -9.757 -13.372 10.641 1.00 0.00 H new ATOM 0 HH21 ARG A 76 -11.936 -10.783 11.622 1.00 0.00 H new ATOM 0 HH22 ARG A 76 -11.668 -12.529 11.570 1.00 0.00 H new ATOM 1242 N ALA A 77 -4.010 -8.627 10.925 1.00 0.00 N ATOM 1243 CA ALA A 77 -3.455 -7.480 11.637 1.00 0.00 C ATOM 1244 C ALA A 77 -4.555 -6.515 12.066 1.00 0.00 C ATOM 1245 O ALA A 77 -4.819 -5.501 11.416 1.00 0.00 O ATOM 1246 CB ALA A 77 -2.393 -6.780 10.799 1.00 0.00 C ATOM 0 H ALA A 77 -4.182 -8.476 9.931 1.00 0.00 H new ATOM 0 HA ALA A 77 -2.971 -7.847 12.542 1.00 0.00 H new ATOM 0 HB1 ALA A 77 -1.996 -5.929 11.352 1.00 0.00 H new ATOM 0 HB2 ALA A 77 -1.586 -7.478 10.578 1.00 0.00 H new ATOM 0 HB3 ALA A 77 -2.837 -6.431 9.867 1.00 0.00 H new ATOM 1252 N ILE A 78 -5.199 -6.855 13.171 1.00 0.00 N ATOM 1253 CA ILE A 78 -6.281 -6.054 13.718 1.00 0.00 C ATOM 1254 C ILE A 78 -5.757 -5.000 14.695 1.00 0.00 C ATOM 1255 O ILE A 78 -5.664 -5.258 15.893 1.00 0.00 O ATOM 1256 CB ILE A 78 -7.261 -6.962 14.472 1.00 0.00 C ATOM 1257 CG1 ILE A 78 -7.720 -8.128 13.592 1.00 0.00 C ATOM 1258 CG2 ILE A 78 -8.436 -6.171 15.010 1.00 0.00 C ATOM 1259 CD1 ILE A 78 -8.686 -7.740 12.492 1.00 0.00 C ATOM 0 H ILE A 78 -4.986 -7.693 13.713 1.00 0.00 H new ATOM 0 HA ILE A 78 -6.776 -5.553 12.886 1.00 0.00 H new ATOM 0 HB ILE A 78 -6.736 -7.386 15.328 1.00 0.00 H new ATOM 0 HG12 ILE A 78 -6.844 -8.594 13.141 1.00 0.00 H new ATOM 0 HG13 ILE A 78 -8.192 -8.880 14.224 1.00 0.00 H new ATOM 0 HG21 ILE A 78 -9.114 -6.841 15.539 1.00 0.00 H new ATOM 0 HG22 ILE A 78 -8.075 -5.404 15.695 1.00 0.00 H new ATOM 0 HG23 ILE A 78 -8.966 -5.698 14.183 1.00 0.00 H new ATOM 0 HD11 ILE A 78 -8.959 -8.626 11.918 1.00 0.00 H new ATOM 0 HD12 ILE A 78 -9.582 -7.303 12.932 1.00 0.00 H new ATOM 0 HD13 ILE A 78 -8.213 -7.012 11.833 1.00 0.00 H new ATOM 1271 N LEU A 79 -5.413 -3.821 14.191 1.00 0.00 N ATOM 1272 CA LEU A 79 -4.904 -2.756 15.052 1.00 0.00 C ATOM 1273 C LEU A 79 -6.049 -1.947 15.642 1.00 0.00 C ATOM 1274 O LEU A 79 -7.217 -2.306 15.493 1.00 0.00 O ATOM 1275 CB LEU A 79 -3.962 -1.843 14.275 1.00 0.00 C ATOM 1276 CG LEU A 79 -4.612 -1.146 13.089 1.00 0.00 C ATOM 1277 CD1 LEU A 79 -5.267 0.154 13.521 1.00 0.00 C ATOM 1278 CD2 LEU A 79 -3.595 -0.904 11.988 1.00 0.00 C ATOM 0 H LEU A 79 -5.475 -3.578 13.202 1.00 0.00 H new ATOM 0 HA LEU A 79 -4.349 -3.217 15.869 1.00 0.00 H new ATOM 0 HB2 LEU A 79 -3.563 -1.088 14.953 1.00 0.00 H new ATOM 0 HB3 LEU A 79 -3.116 -2.430 13.919 1.00 0.00 H new ATOM 0 HG LEU A 79 -5.391 -1.798 12.693 1.00 0.00 H new ATOM 0 HD11 LEU A 79 -5.725 0.635 12.657 1.00 0.00 H new ATOM 0 HD12 LEU A 79 -6.032 -0.055 14.268 1.00 0.00 H new ATOM 0 HD13 LEU A 79 -4.514 0.816 13.948 1.00 0.00 H new ATOM 0 HD21 LEU A 79 -4.079 -0.405 11.149 1.00 0.00 H new ATOM 0 HD22 LEU A 79 -2.790 -0.276 12.368 1.00 0.00 H new ATOM 0 HD23 LEU A 79 -3.185 -1.858 11.655 1.00 0.00 H new ATOM 1290 N GLN A 80 -5.711 -0.856 16.316 1.00 0.00 N ATOM 1291 CA GLN A 80 -6.721 -0.012 16.935 1.00 0.00 C ATOM 1292 C GLN A 80 -6.416 1.468 16.741 1.00 0.00 C ATOM 1293 O GLN A 80 -5.264 1.863 16.551 1.00 0.00 O ATOM 1294 CB GLN A 80 -6.807 -0.322 18.430 1.00 0.00 C ATOM 1295 CG GLN A 80 -8.197 -0.142 19.008 1.00 0.00 C ATOM 1296 CD GLN A 80 -8.178 0.485 20.387 1.00 0.00 C ATOM 1297 OE1 GLN A 80 -7.591 -0.062 21.321 1.00 0.00 O ATOM 1298 NE2 GLN A 80 -8.821 1.638 20.520 1.00 0.00 N ATOM 0 H GLN A 80 -4.751 -0.537 16.447 1.00 0.00 H new ATOM 0 HA GLN A 80 -7.674 -0.226 16.452 1.00 0.00 H new ATOM 0 HB2 GLN A 80 -6.482 -1.349 18.599 1.00 0.00 H new ATOM 0 HB3 GLN A 80 -6.113 0.324 18.967 1.00 0.00 H new ATOM 0 HG2 GLN A 80 -8.787 0.482 18.337 1.00 0.00 H new ATOM 0 HG3 GLN A 80 -8.693 -1.111 19.060 1.00 0.00 H new ATOM 0 HE21 GLN A 80 -9.293 2.054 19.717 1.00 0.00 H new ATOM 0 HE22 GLN A 80 -8.843 2.108 21.425 1.00 0.00 H new ATOM 1307 N GLY A 81 -7.465 2.280 16.793 1.00 0.00 N ATOM 1308 CA GLY A 81 -7.309 3.711 16.629 1.00 0.00 C ATOM 1309 C GLY A 81 -8.318 4.316 15.673 1.00 0.00 C ATOM 1310 O GLY A 81 -9.178 5.093 16.088 1.00 0.00 O ATOM 0 H GLY A 81 -8.425 1.970 16.947 1.00 0.00 H new ATOM 0 HA2 GLY A 81 -7.404 4.194 17.601 1.00 0.00 H new ATOM 0 HA3 GLY A 81 -6.303 3.921 16.266 1.00 0.00 H new ATOM 1314 N LYS A 82 -8.228 3.964 14.394 1.00 0.00 N ATOM 1315 CA LYS A 82 -9.162 4.490 13.404 1.00 0.00 C ATOM 1316 C LYS A 82 -8.840 3.979 11.991 1.00 0.00 C ATOM 1317 O LYS A 82 -9.203 2.855 11.642 1.00 0.00 O ATOM 1318 CB LYS A 82 -9.181 6.026 13.453 1.00 0.00 C ATOM 1319 CG LYS A 82 -10.569 6.619 13.269 1.00 0.00 C ATOM 1320 CD LYS A 82 -10.693 7.973 13.953 1.00 0.00 C ATOM 1321 CE LYS A 82 -11.821 7.987 14.976 1.00 0.00 C ATOM 1322 NZ LYS A 82 -12.855 9.008 14.652 1.00 0.00 N ATOM 0 H LYS A 82 -7.526 3.324 14.022 1.00 0.00 H new ATOM 0 HA LYS A 82 -10.159 4.125 13.653 1.00 0.00 H new ATOM 0 HB2 LYS A 82 -8.777 6.357 14.410 1.00 0.00 H new ATOM 0 HB3 LYS A 82 -8.522 6.415 12.677 1.00 0.00 H new ATOM 0 HG2 LYS A 82 -10.781 6.727 12.205 1.00 0.00 H new ATOM 0 HG3 LYS A 82 -11.315 5.935 13.675 1.00 0.00 H new ATOM 0 HD2 LYS A 82 -9.752 8.219 14.445 1.00 0.00 H new ATOM 0 HD3 LYS A 82 -10.872 8.744 13.204 1.00 0.00 H new ATOM 0 HE2 LYS A 82 -12.285 7.002 15.018 1.00 0.00 H new ATOM 0 HE3 LYS A 82 -11.411 8.188 15.966 1.00 0.00 H new ATOM 0 HZ1 LYS A 82 -13.604 8.984 15.373 1.00 0.00 H new ATOM 0 HZ2 LYS A 82 -12.418 9.952 14.637 1.00 0.00 H new ATOM 0 HZ3 LYS A 82 -13.266 8.802 13.719 1.00 0.00 H new ATOM 1336 N PHE A 83 -8.173 4.801 11.176 1.00 0.00 N ATOM 1337 CA PHE A 83 -7.827 4.417 9.808 1.00 0.00 C ATOM 1338 C PHE A 83 -9.068 3.977 9.032 1.00 0.00 C ATOM 1339 O PHE A 83 -9.063 2.948 8.354 1.00 0.00 O ATOM 1340 CB PHE A 83 -6.765 3.309 9.808 1.00 0.00 C ATOM 1341 CG PHE A 83 -5.353 3.817 9.657 1.00 0.00 C ATOM 1342 CD1 PHE A 83 -5.049 5.154 9.870 1.00 0.00 C ATOM 1343 CD2 PHE A 83 -4.330 2.956 9.291 1.00 0.00 C ATOM 1344 CE1 PHE A 83 -3.757 5.621 9.723 1.00 0.00 C ATOM 1345 CE2 PHE A 83 -3.035 3.417 9.139 1.00 0.00 C ATOM 1346 CZ PHE A 83 -2.749 4.752 9.355 1.00 0.00 C ATOM 0 H PHE A 83 -7.863 5.736 11.441 1.00 0.00 H new ATOM 0 HA PHE A 83 -7.410 5.291 9.308 1.00 0.00 H new ATOM 0 HB2 PHE A 83 -6.841 2.746 10.738 1.00 0.00 H new ATOM 0 HB3 PHE A 83 -6.979 2.614 8.997 1.00 0.00 H new ATOM 0 HD1 PHE A 83 -5.834 5.839 10.155 1.00 0.00 H new ATOM 0 HD2 PHE A 83 -4.547 1.912 9.122 1.00 0.00 H new ATOM 0 HE1 PHE A 83 -3.536 6.664 9.896 1.00 0.00 H new ATOM 0 HE2 PHE A 83 -2.248 2.735 8.852 1.00 0.00 H new ATOM 0 HZ PHE A 83 -1.739 5.115 9.236 1.00 0.00 H new ATOM 1356 N THR A 84 -10.125 4.779 9.131 1.00 0.00 N ATOM 1357 CA THR A 84 -11.379 4.496 8.438 1.00 0.00 C ATOM 1358 C THR A 84 -11.282 4.958 6.988 1.00 0.00 C ATOM 1359 O THR A 84 -11.824 5.999 6.621 1.00 0.00 O ATOM 1360 CB THR A 84 -12.552 5.205 9.134 1.00 0.00 C ATOM 1361 OG1 THR A 84 -12.443 5.146 10.551 1.00 0.00 O ATOM 1362 CG2 THR A 84 -13.899 4.629 8.765 1.00 0.00 C ATOM 0 H THR A 84 -10.138 5.634 9.687 1.00 0.00 H new ATOM 0 HA THR A 84 -11.558 3.421 8.464 1.00 0.00 H new ATOM 0 HB THR A 84 -12.491 6.236 8.785 1.00 0.00 H new ATOM 0 HG1 THR A 84 -13.205 5.609 10.957 1.00 0.00 H new ATOM 0 HG21 THR A 84 -14.684 5.174 9.290 1.00 0.00 H new ATOM 0 HG22 THR A 84 -14.051 4.720 7.690 1.00 0.00 H new ATOM 0 HG23 THR A 84 -13.935 3.577 9.049 1.00 0.00 H new ATOM 1370 N HIS A 85 -10.564 4.187 6.176 1.00 0.00 N ATOM 1371 CA HIS A 85 -10.355 4.516 4.765 1.00 0.00 C ATOM 1372 C HIS A 85 -10.080 6.004 4.587 1.00 0.00 C ATOM 1373 O HIS A 85 -10.525 6.614 3.615 1.00 0.00 O ATOM 1374 CB HIS A 85 -11.576 4.136 3.928 1.00 0.00 C ATOM 1375 CG HIS A 85 -12.880 4.510 4.561 1.00 0.00 C ATOM 1376 ND1 HIS A 85 -13.585 3.667 5.396 1.00 0.00 N ATOM 1377 CD2 HIS A 85 -13.613 5.646 4.472 1.00 0.00 C ATOM 1378 CE1 HIS A 85 -14.696 4.266 5.790 1.00 0.00 C ATOM 1379 NE2 HIS A 85 -14.736 5.468 5.243 1.00 0.00 N ATOM 0 H HIS A 85 -10.112 3.322 6.473 1.00 0.00 H new ATOM 0 HA HIS A 85 -9.491 3.945 4.425 1.00 0.00 H new ATOM 0 HB2 HIS A 85 -11.503 4.620 2.954 1.00 0.00 H new ATOM 0 HB3 HIS A 85 -11.564 3.061 3.751 1.00 0.00 H new ATOM 0 HD2 HIS A 85 -13.361 6.528 3.901 1.00 0.00 H new ATOM 0 HE1 HIS A 85 -15.443 3.845 6.447 1.00 0.00 H new ATOM 0 HE2 HIS A 85 -15.480 6.153 5.372 1.00 0.00 H new ATOM 1387 N PHE A 86 -9.335 6.578 5.518 1.00 0.00 N ATOM 1388 CA PHE A 86 -8.996 7.989 5.447 1.00 0.00 C ATOM 1389 C PHE A 86 -7.675 8.186 4.715 1.00 0.00 C ATOM 1390 O PHE A 86 -7.651 8.481 3.519 1.00 0.00 O ATOM 1391 CB PHE A 86 -8.933 8.598 6.847 1.00 0.00 C ATOM 1392 CG PHE A 86 -10.154 9.400 7.185 1.00 0.00 C ATOM 1393 CD1 PHE A 86 -10.535 10.465 6.387 1.00 0.00 C ATOM 1394 CD2 PHE A 86 -10.923 9.084 8.291 1.00 0.00 C ATOM 1395 CE1 PHE A 86 -11.664 11.202 6.686 1.00 0.00 C ATOM 1396 CE2 PHE A 86 -12.053 9.817 8.597 1.00 0.00 C ATOM 1397 CZ PHE A 86 -12.425 10.878 7.792 1.00 0.00 C ATOM 0 H PHE A 86 -8.955 6.090 6.329 1.00 0.00 H new ATOM 0 HA PHE A 86 -9.777 8.502 4.886 1.00 0.00 H new ATOM 0 HB2 PHE A 86 -8.813 7.801 7.580 1.00 0.00 H new ATOM 0 HB3 PHE A 86 -8.052 9.236 6.922 1.00 0.00 H new ATOM 0 HD1 PHE A 86 -9.943 10.722 5.521 1.00 0.00 H new ATOM 0 HD2 PHE A 86 -10.637 8.255 8.922 1.00 0.00 H new ATOM 0 HE1 PHE A 86 -11.951 12.031 6.056 1.00 0.00 H new ATOM 0 HE2 PHE A 86 -12.645 9.562 9.464 1.00 0.00 H new ATOM 0 HZ PHE A 86 -13.309 11.452 8.028 1.00 0.00 H new ATOM 1407 N LEU A 87 -6.580 8.013 5.444 1.00 0.00 N ATOM 1408 CA LEU A 87 -5.250 8.161 4.878 1.00 0.00 C ATOM 1409 C LEU A 87 -4.915 6.983 3.979 1.00 0.00 C ATOM 1410 O LEU A 87 -4.396 7.154 2.874 1.00 0.00 O ATOM 1411 CB LEU A 87 -4.211 8.271 5.996 1.00 0.00 C ATOM 1412 CG LEU A 87 -3.412 9.572 6.011 1.00 0.00 C ATOM 1413 CD1 LEU A 87 -2.606 9.717 4.730 1.00 0.00 C ATOM 1414 CD2 LEU A 87 -4.342 10.762 6.199 1.00 0.00 C ATOM 0 H LEU A 87 -6.590 7.769 6.434 1.00 0.00 H new ATOM 0 HA LEU A 87 -5.232 9.072 4.280 1.00 0.00 H new ATOM 0 HB2 LEU A 87 -4.719 8.163 6.955 1.00 0.00 H new ATOM 0 HB3 LEU A 87 -3.515 7.436 5.908 1.00 0.00 H new ATOM 0 HG LEU A 87 -2.717 9.543 6.850 1.00 0.00 H new ATOM 0 HD11 LEU A 87 -2.043 10.650 4.758 1.00 0.00 H new ATOM 0 HD12 LEU A 87 -1.915 8.879 4.638 1.00 0.00 H new ATOM 0 HD13 LEU A 87 -3.281 9.726 3.874 1.00 0.00 H new ATOM 0 HD21 LEU A 87 -3.758 11.682 6.208 1.00 0.00 H new ATOM 0 HD22 LEU A 87 -5.060 10.796 5.380 1.00 0.00 H new ATOM 0 HD23 LEU A 87 -4.875 10.662 7.145 1.00 0.00 H new ATOM 1426 N ILE A 88 -5.205 5.781 4.462 1.00 0.00 N ATOM 1427 CA ILE A 88 -4.921 4.579 3.700 1.00 0.00 C ATOM 1428 C ILE A 88 -5.590 4.627 2.329 1.00 0.00 C ATOM 1429 O ILE A 88 -4.921 4.615 1.298 1.00 0.00 O ATOM 1430 CB ILE A 88 -5.398 3.307 4.442 1.00 0.00 C ATOM 1431 CG1 ILE A 88 -4.830 3.241 5.872 1.00 0.00 C ATOM 1432 CG2 ILE A 88 -4.988 2.074 3.656 1.00 0.00 C ATOM 1433 CD1 ILE A 88 -5.022 1.892 6.558 1.00 0.00 C ATOM 0 H ILE A 88 -5.634 5.617 5.373 1.00 0.00 H new ATOM 0 HA ILE A 88 -3.839 4.535 3.578 1.00 0.00 H new ATOM 0 HB ILE A 88 -6.485 3.345 4.520 1.00 0.00 H new ATOM 0 HG12 ILE A 88 -3.765 3.471 5.839 1.00 0.00 H new ATOM 0 HG13 ILE A 88 -5.305 4.014 6.476 1.00 0.00 H new ATOM 0 HG21 ILE A 88 -5.325 1.180 4.180 1.00 0.00 H new ATOM 0 HG22 ILE A 88 -5.442 2.106 2.665 1.00 0.00 H new ATOM 0 HG23 ILE A 88 -3.903 2.050 3.557 1.00 0.00 H new ATOM 0 HD11 ILE A 88 -4.595 1.929 7.560 1.00 0.00 H new ATOM 0 HD12 ILE A 88 -6.086 1.666 6.626 1.00 0.00 H new ATOM 0 HD13 ILE A 88 -4.523 1.115 5.979 1.00 0.00 H new ATOM 1445 N ASN A 89 -6.917 4.673 2.322 1.00 0.00 N ATOM 1446 CA ASN A 89 -7.675 4.703 1.074 1.00 0.00 C ATOM 1447 C ASN A 89 -7.236 5.854 0.170 1.00 0.00 C ATOM 1448 O ASN A 89 -7.093 5.681 -1.038 1.00 0.00 O ATOM 1449 CB ASN A 89 -9.174 4.811 1.366 1.00 0.00 C ATOM 1450 CG ASN A 89 -9.968 3.676 0.744 1.00 0.00 C ATOM 1451 OD1 ASN A 89 -10.887 3.138 1.361 1.00 0.00 O ATOM 1452 ND2 ASN A 89 -9.615 3.304 -0.482 1.00 0.00 N ATOM 0 H ASN A 89 -7.491 4.690 3.165 1.00 0.00 H new ATOM 0 HA ASN A 89 -7.474 3.770 0.547 1.00 0.00 H new ATOM 0 HB2 ASN A 89 -9.332 4.813 2.444 1.00 0.00 H new ATOM 0 HB3 ASN A 89 -9.548 5.762 0.987 1.00 0.00 H new ATOM 0 HD21 ASN A 89 -10.112 2.545 -0.948 1.00 0.00 H new ATOM 0 HD22 ASN A 89 -8.847 3.778 -0.957 1.00 0.00 H new ATOM 1459 N GLU A 90 -7.035 7.028 0.758 1.00 0.00 N ATOM 1460 CA GLU A 90 -6.627 8.205 -0.003 1.00 0.00 C ATOM 1461 C GLU A 90 -5.311 7.971 -0.740 1.00 0.00 C ATOM 1462 O GLU A 90 -5.225 8.161 -1.952 1.00 0.00 O ATOM 1463 CB GLU A 90 -6.499 9.414 0.927 1.00 0.00 C ATOM 1464 CG GLU A 90 -7.777 10.230 1.046 1.00 0.00 C ATOM 1465 CD GLU A 90 -7.525 11.636 1.554 1.00 0.00 C ATOM 1466 OE1 GLU A 90 -6.663 11.801 2.443 1.00 0.00 O ATOM 1467 OE2 GLU A 90 -8.191 12.573 1.064 1.00 0.00 O ATOM 0 H GLU A 90 -7.148 7.191 1.759 1.00 0.00 H new ATOM 0 HA GLU A 90 -7.397 8.401 -0.749 1.00 0.00 H new ATOM 0 HB2 GLU A 90 -6.204 9.069 1.918 1.00 0.00 H new ATOM 0 HB3 GLU A 90 -5.699 10.059 0.563 1.00 0.00 H new ATOM 0 HG2 GLU A 90 -8.263 10.281 0.072 1.00 0.00 H new ATOM 0 HG3 GLU A 90 -8.467 9.722 1.720 1.00 0.00 H new ATOM 1474 N ARG A 91 -4.284 7.572 -0.001 1.00 0.00 N ATOM 1475 CA ARG A 91 -2.971 7.328 -0.586 1.00 0.00 C ATOM 1476 C ARG A 91 -3.010 6.182 -1.588 1.00 0.00 C ATOM 1477 O ARG A 91 -2.501 6.303 -2.701 1.00 0.00 O ATOM 1478 CB ARG A 91 -1.967 7.003 0.509 1.00 0.00 C ATOM 1479 CG ARG A 91 -1.604 8.187 1.392 1.00 0.00 C ATOM 1480 CD ARG A 91 -0.228 8.735 1.047 1.00 0.00 C ATOM 1481 NE ARG A 91 0.011 8.718 -0.392 1.00 0.00 N ATOM 1482 CZ ARG A 91 1.217 8.688 -0.947 1.00 0.00 C ATOM 1483 NH1 ARG A 91 2.309 8.714 -0.191 1.00 0.00 N ATOM 1484 NH2 ARG A 91 1.332 8.628 -2.266 1.00 0.00 N ATOM 0 H ARG A 91 -4.334 7.410 1.005 1.00 0.00 H new ATOM 0 HA ARG A 91 -2.669 8.234 -1.111 1.00 0.00 H new ATOM 0 HB2 ARG A 91 -2.373 6.208 1.135 1.00 0.00 H new ATOM 0 HB3 ARG A 91 -1.058 6.614 0.050 1.00 0.00 H new ATOM 0 HG2 ARG A 91 -2.350 8.973 1.274 1.00 0.00 H new ATOM 0 HG3 ARG A 91 -1.624 7.882 2.438 1.00 0.00 H new ATOM 0 HD2 ARG A 91 -0.138 9.755 1.419 1.00 0.00 H new ATOM 0 HD3 ARG A 91 0.537 8.144 1.551 1.00 0.00 H new ATOM 0 HE ARG A 91 -0.800 8.730 -1.011 1.00 0.00 H new ATOM 0 HH11 ARG A 91 2.225 8.757 0.825 1.00 0.00 H new ATOM 0 HH12 ARG A 91 3.231 8.691 -0.626 1.00 0.00 H new ATOM 0 HH21 ARG A 91 0.496 8.605 -2.850 1.00 0.00 H new ATOM 0 HH22 ARG A 91 2.256 8.605 -2.697 1.00 0.00 H new ATOM 1498 N ILE A 92 -3.612 5.062 -1.193 1.00 0.00 N ATOM 1499 CA ILE A 92 -3.702 3.908 -2.077 1.00 0.00 C ATOM 1500 C ILE A 92 -4.375 4.297 -3.383 1.00 0.00 C ATOM 1501 O ILE A 92 -3.819 4.114 -4.465 1.00 0.00 O ATOM 1502 CB ILE A 92 -4.507 2.756 -1.439 1.00 0.00 C ATOM 1503 CG1 ILE A 92 -3.813 2.254 -0.175 1.00 0.00 C ATOM 1504 CG2 ILE A 92 -4.711 1.610 -2.433 1.00 0.00 C ATOM 1505 CD1 ILE A 92 -4.471 1.023 0.408 1.00 0.00 C ATOM 0 H ILE A 92 -4.040 4.932 -0.276 1.00 0.00 H new ATOM 0 HA ILE A 92 -2.683 3.567 -2.259 1.00 0.00 H new ATOM 0 HB ILE A 92 -5.489 3.142 -1.165 1.00 0.00 H new ATOM 0 HG12 ILE A 92 -2.771 2.029 -0.403 1.00 0.00 H new ATOM 0 HG13 ILE A 92 -3.812 3.048 0.572 1.00 0.00 H new ATOM 0 HG21 ILE A 92 -5.281 0.812 -1.957 1.00 0.00 H new ATOM 0 HG22 ILE A 92 -5.256 1.976 -3.303 1.00 0.00 H new ATOM 0 HG23 ILE A 92 -3.741 1.225 -2.748 1.00 0.00 H new ATOM 0 HD11 ILE A 92 -3.934 0.713 1.304 1.00 0.00 H new ATOM 0 HD12 ILE A 92 -5.505 1.251 0.666 1.00 0.00 H new ATOM 0 HD13 ILE A 92 -4.449 0.217 -0.325 1.00 0.00 H new ATOM 1517 N GLU A 93 -5.580 4.834 -3.263 1.00 0.00 N ATOM 1518 CA GLU A 93 -6.353 5.257 -4.420 1.00 0.00 C ATOM 1519 C GLU A 93 -5.573 6.264 -5.256 1.00 0.00 C ATOM 1520 O GLU A 93 -5.802 6.402 -6.457 1.00 0.00 O ATOM 1521 CB GLU A 93 -7.679 5.863 -3.965 1.00 0.00 C ATOM 1522 CG GLU A 93 -8.804 5.680 -4.966 1.00 0.00 C ATOM 1523 CD GLU A 93 -10.008 6.547 -4.653 1.00 0.00 C ATOM 1524 OE1 GLU A 93 -9.858 7.515 -3.877 1.00 0.00 O ATOM 1525 OE2 GLU A 93 -11.103 6.259 -5.184 1.00 0.00 O ATOM 0 H GLU A 93 -6.046 4.988 -2.369 1.00 0.00 H new ATOM 0 HA GLU A 93 -6.553 4.383 -5.041 1.00 0.00 H new ATOM 0 HB2 GLU A 93 -7.970 5.410 -3.017 1.00 0.00 H new ATOM 0 HB3 GLU A 93 -7.538 6.928 -3.780 1.00 0.00 H new ATOM 0 HG2 GLU A 93 -8.439 5.918 -5.965 1.00 0.00 H new ATOM 0 HG3 GLU A 93 -9.108 4.633 -4.979 1.00 0.00 H new ATOM 1532 N ASP A 94 -4.648 6.964 -4.609 1.00 0.00 N ATOM 1533 CA ASP A 94 -3.833 7.959 -5.290 1.00 0.00 C ATOM 1534 C ASP A 94 -2.851 7.297 -6.255 1.00 0.00 C ATOM 1535 O ASP A 94 -2.673 7.759 -7.377 1.00 0.00 O ATOM 1536 CB ASP A 94 -3.070 8.814 -4.273 1.00 0.00 C ATOM 1537 CG ASP A 94 -3.729 10.161 -4.040 1.00 0.00 C ATOM 1538 OD1 ASP A 94 -3.852 10.936 -5.011 1.00 0.00 O ATOM 1539 OD2 ASP A 94 -4.119 10.440 -2.887 1.00 0.00 O ATOM 0 H ASP A 94 -4.445 6.860 -3.615 1.00 0.00 H new ATOM 0 HA ASP A 94 -4.500 8.601 -5.865 1.00 0.00 H new ATOM 0 HB2 ASP A 94 -3.004 8.276 -3.327 1.00 0.00 H new ATOM 0 HB3 ASP A 94 -2.050 8.968 -4.624 1.00 0.00 H new ATOM 1544 N TYR A 95 -2.212 6.218 -5.808 1.00 0.00 N ATOM 1545 CA TYR A 95 -1.243 5.501 -6.636 1.00 0.00 C ATOM 1546 C TYR A 95 -1.933 4.466 -7.516 1.00 0.00 C ATOM 1547 O TYR A 95 -1.830 4.508 -8.740 1.00 0.00 O ATOM 1548 CB TYR A 95 -0.195 4.816 -5.757 1.00 0.00 C ATOM 1549 CG TYR A 95 1.167 5.473 -5.801 1.00 0.00 C ATOM 1550 CD1 TYR A 95 1.994 5.329 -6.909 1.00 0.00 C ATOM 1551 CD2 TYR A 95 1.625 6.233 -4.733 1.00 0.00 C ATOM 1552 CE1 TYR A 95 3.239 5.926 -6.950 1.00 0.00 C ATOM 1553 CE2 TYR A 95 2.870 6.833 -4.767 1.00 0.00 C ATOM 1554 CZ TYR A 95 3.672 6.676 -5.878 1.00 0.00 C ATOM 1555 OH TYR A 95 4.909 7.272 -5.919 1.00 0.00 O ATOM 0 H TYR A 95 -2.347 5.821 -4.878 1.00 0.00 H new ATOM 0 HA TYR A 95 -0.751 6.229 -7.280 1.00 0.00 H new ATOM 0 HB2 TYR A 95 -0.550 4.807 -4.726 1.00 0.00 H new ATOM 0 HB3 TYR A 95 -0.096 3.776 -6.070 1.00 0.00 H new ATOM 0 HD1 TYR A 95 1.658 4.741 -7.751 1.00 0.00 H new ATOM 0 HD2 TYR A 95 0.999 6.357 -3.862 1.00 0.00 H new ATOM 0 HE1 TYR A 95 3.870 5.806 -7.818 1.00 0.00 H new ATOM 0 HE2 TYR A 95 3.213 7.421 -3.929 1.00 0.00 H new ATOM 0 HH TYR A 95 5.138 7.488 -6.847 1.00 0.00 H new ATOM 1565 N VAL A 96 -2.635 3.532 -6.889 1.00 0.00 N ATOM 1566 CA VAL A 96 -3.333 2.489 -7.628 1.00 0.00 C ATOM 1567 C VAL A 96 -4.270 3.093 -8.664 1.00 0.00 C ATOM 1568 O VAL A 96 -4.302 2.659 -9.817 1.00 0.00 O ATOM 1569 CB VAL A 96 -4.136 1.571 -6.689 1.00 0.00 C ATOM 1570 CG1 VAL A 96 -4.779 0.433 -7.470 1.00 0.00 C ATOM 1571 CG2 VAL A 96 -3.240 1.031 -5.585 1.00 0.00 C ATOM 0 H VAL A 96 -2.736 3.475 -5.876 1.00 0.00 H new ATOM 0 HA VAL A 96 -2.573 1.892 -8.132 1.00 0.00 H new ATOM 0 HB VAL A 96 -4.932 2.156 -6.230 1.00 0.00 H new ATOM 0 HG11 VAL A 96 -5.342 -0.204 -6.788 1.00 0.00 H new ATOM 0 HG12 VAL A 96 -5.453 0.843 -8.222 1.00 0.00 H new ATOM 0 HG13 VAL A 96 -4.003 -0.156 -7.960 1.00 0.00 H new ATOM 0 HG21 VAL A 96 -3.821 0.383 -4.929 1.00 0.00 H new ATOM 0 HG22 VAL A 96 -2.423 0.461 -6.026 1.00 0.00 H new ATOM 0 HG23 VAL A 96 -2.833 1.861 -5.008 1.00 0.00 H new ATOM 1581 N ASN A 97 -5.024 4.103 -8.251 1.00 0.00 N ATOM 1582 CA ASN A 97 -5.952 4.776 -9.151 1.00 0.00 C ATOM 1583 C ASN A 97 -5.478 6.199 -9.459 1.00 0.00 C ATOM 1584 O ASN A 97 -6.239 7.159 -9.330 1.00 0.00 O ATOM 1585 CB ASN A 97 -7.362 4.783 -8.545 1.00 0.00 C ATOM 1586 CG ASN A 97 -7.799 3.398 -8.112 1.00 0.00 C ATOM 1587 OD1 ASN A 97 -7.260 2.393 -8.576 1.00 0.00 O ATOM 1588 ND2 ASN A 97 -8.781 3.338 -7.220 1.00 0.00 N ATOM 0 H ASN A 97 -5.012 4.474 -7.301 1.00 0.00 H new ATOM 0 HA ASN A 97 -5.984 4.228 -10.093 1.00 0.00 H new ATOM 0 HB2 ASN A 97 -7.385 5.455 -7.687 1.00 0.00 H new ATOM 0 HB3 ASN A 97 -8.069 5.175 -9.276 1.00 0.00 H new ATOM 0 HD21 ASN A 97 -9.118 2.433 -6.892 1.00 0.00 H new ATOM 0 HD22 ASN A 97 -9.199 4.197 -6.863 1.00 0.00 H new ATOM 1595 N LYS A 98 -4.218 6.327 -9.890 1.00 0.00 N ATOM 1596 CA LYS A 98 -3.663 7.635 -10.232 1.00 0.00 C ATOM 1597 C LYS A 98 -4.080 8.055 -11.640 1.00 0.00 C ATOM 1598 O LYS A 98 -3.813 9.179 -12.058 1.00 0.00 O ATOM 1599 CB LYS A 98 -2.131 7.649 -10.125 1.00 0.00 C ATOM 1600 CG LYS A 98 -1.449 6.447 -10.753 1.00 0.00 C ATOM 1601 CD LYS A 98 -0.310 6.869 -11.663 1.00 0.00 C ATOM 1602 CE LYS A 98 -0.167 5.916 -12.834 1.00 0.00 C ATOM 1603 NZ LYS A 98 -0.054 4.499 -12.385 1.00 0.00 N ATOM 0 H LYS A 98 -3.571 5.547 -10.008 1.00 0.00 H new ATOM 0 HA LYS A 98 -4.065 8.347 -9.511 1.00 0.00 H new ATOM 0 HB2 LYS A 98 -1.754 8.555 -10.600 1.00 0.00 H new ATOM 0 HB3 LYS A 98 -1.853 7.701 -9.072 1.00 0.00 H new ATOM 0 HG2 LYS A 98 -1.067 5.793 -9.969 1.00 0.00 H new ATOM 0 HG3 LYS A 98 -2.177 5.870 -11.323 1.00 0.00 H new ATOM 0 HD2 LYS A 98 -0.490 7.879 -12.032 1.00 0.00 H new ATOM 0 HD3 LYS A 98 0.621 6.897 -11.097 1.00 0.00 H new ATOM 0 HE2 LYS A 98 -1.028 6.020 -13.494 1.00 0.00 H new ATOM 0 HE3 LYS A 98 0.715 6.184 -13.415 1.00 0.00 H new ATOM 0 HZ1 LYS A 98 0.210 3.899 -13.192 1.00 0.00 H new ATOM 0 HZ2 LYS A 98 0.674 4.426 -11.646 1.00 0.00 H new ATOM 0 HZ3 LYS A 98 -0.968 4.182 -12.003 1.00 0.00 H new ATOM 1617 N PHE A 99 -4.730 7.153 -12.376 1.00 0.00 N ATOM 1618 CA PHE A 99 -5.165 7.454 -13.738 1.00 0.00 C ATOM 1619 C PHE A 99 -6.360 8.409 -13.755 1.00 0.00 C ATOM 1620 O PHE A 99 -6.312 9.463 -14.391 1.00 0.00 O ATOM 1621 CB PHE A 99 -5.519 6.165 -14.473 1.00 0.00 C ATOM 1622 CG PHE A 99 -4.353 5.553 -15.198 1.00 0.00 C ATOM 1623 CD1 PHE A 99 -3.192 5.224 -14.515 1.00 0.00 C ATOM 1624 CD2 PHE A 99 -4.416 5.310 -16.560 1.00 0.00 C ATOM 1625 CE1 PHE A 99 -2.117 4.662 -15.178 1.00 0.00 C ATOM 1626 CE2 PHE A 99 -3.343 4.750 -17.227 1.00 0.00 C ATOM 1627 CZ PHE A 99 -2.193 4.426 -16.536 1.00 0.00 C ATOM 0 H PHE A 99 -4.965 6.214 -12.054 1.00 0.00 H new ATOM 0 HA PHE A 99 -4.337 7.948 -14.246 1.00 0.00 H new ATOM 0 HB2 PHE A 99 -5.912 5.443 -13.757 1.00 0.00 H new ATOM 0 HB3 PHE A 99 -6.315 6.370 -15.188 1.00 0.00 H new ATOM 0 HD1 PHE A 99 -3.127 5.409 -13.453 1.00 0.00 H new ATOM 0 HD2 PHE A 99 -5.313 5.561 -17.107 1.00 0.00 H new ATOM 0 HE1 PHE A 99 -1.219 4.408 -14.634 1.00 0.00 H new ATOM 0 HE2 PHE A 99 -3.404 4.566 -18.289 1.00 0.00 H new ATOM 0 HZ PHE A 99 -1.354 3.989 -17.057 1.00 0.00 H new ATOM 1637 N VAL A 100 -7.432 8.030 -13.069 1.00 0.00 N ATOM 1638 CA VAL A 100 -8.638 8.852 -13.024 1.00 0.00 C ATOM 1639 C VAL A 100 -8.491 10.035 -12.065 1.00 0.00 C ATOM 1640 O VAL A 100 -9.384 10.879 -11.972 1.00 0.00 O ATOM 1641 CB VAL A 100 -9.865 8.014 -12.614 1.00 0.00 C ATOM 1642 CG1 VAL A 100 -9.651 7.380 -11.247 1.00 0.00 C ATOM 1643 CG2 VAL A 100 -11.128 8.865 -12.628 1.00 0.00 C ATOM 0 H VAL A 100 -7.492 7.162 -12.537 1.00 0.00 H new ATOM 0 HA VAL A 100 -8.785 9.242 -14.031 1.00 0.00 H new ATOM 0 HB VAL A 100 -9.990 7.213 -13.342 1.00 0.00 H new ATOM 0 HG11 VAL A 100 -10.529 6.793 -10.977 1.00 0.00 H new ATOM 0 HG12 VAL A 100 -8.776 6.731 -11.280 1.00 0.00 H new ATOM 0 HG13 VAL A 100 -9.494 8.162 -10.504 1.00 0.00 H new ATOM 0 HG21 VAL A 100 -11.982 8.254 -12.336 1.00 0.00 H new ATOM 0 HG22 VAL A 100 -11.017 9.692 -11.927 1.00 0.00 H new ATOM 0 HG23 VAL A 100 -11.290 9.259 -13.631 1.00 0.00 H new ATOM 1653 N ILE A 101 -7.369 10.099 -11.356 1.00 0.00 N ATOM 1654 CA ILE A 101 -7.126 11.186 -10.416 1.00 0.00 C ATOM 1655 C ILE A 101 -5.981 12.079 -10.899 1.00 0.00 C ATOM 1656 O ILE A 101 -6.089 13.306 -10.871 1.00 0.00 O ATOM 1657 CB ILE A 101 -6.810 10.640 -9.010 1.00 0.00 C ATOM 1658 CG1 ILE A 101 -6.741 11.769 -7.981 1.00 0.00 C ATOM 1659 CG2 ILE A 101 -5.511 9.867 -9.038 1.00 0.00 C ATOM 1660 CD1 ILE A 101 -8.017 11.934 -7.190 1.00 0.00 C ATOM 0 H ILE A 101 -6.616 9.413 -11.414 1.00 0.00 H new ATOM 0 HA ILE A 101 -8.036 11.784 -10.360 1.00 0.00 H new ATOM 0 HB ILE A 101 -7.616 9.970 -8.713 1.00 0.00 H new ATOM 0 HG12 ILE A 101 -5.918 11.575 -7.293 1.00 0.00 H new ATOM 0 HG13 ILE A 101 -6.515 12.705 -8.493 1.00 0.00 H new ATOM 0 HG21 ILE A 101 -5.294 9.484 -8.041 1.00 0.00 H new ATOM 0 HG22 ILE A 101 -5.598 9.034 -9.736 1.00 0.00 H new ATOM 0 HG23 ILE A 101 -4.703 10.525 -9.358 1.00 0.00 H new ATOM 0 HD11 ILE A 101 -7.901 12.751 -6.478 1.00 0.00 H new ATOM 0 HD12 ILE A 101 -8.840 12.159 -7.869 1.00 0.00 H new ATOM 0 HD13 ILE A 101 -8.233 11.011 -6.651 1.00 0.00 H new ATOM 1672 N CYS A 102 -4.884 11.462 -11.343 1.00 0.00 N ATOM 1673 CA CYS A 102 -3.732 12.217 -11.837 1.00 0.00 C ATOM 1674 C CYS A 102 -3.907 12.586 -13.313 1.00 0.00 C ATOM 1675 O CYS A 102 -3.025 13.196 -13.918 1.00 0.00 O ATOM 1676 CB CYS A 102 -2.436 11.423 -11.655 1.00 0.00 C ATOM 1677 SG CYS A 102 -0.941 12.441 -11.659 1.00 0.00 S ATOM 0 H CYS A 102 -4.770 10.449 -11.371 1.00 0.00 H new ATOM 0 HA CYS A 102 -3.669 13.134 -11.251 1.00 0.00 H new ATOM 0 HB2 CYS A 102 -2.487 10.875 -10.714 1.00 0.00 H new ATOM 0 HB3 CYS A 102 -2.361 10.683 -12.451 1.00 0.00 H new ATOM 0 HG CYS A 102 -1.148 13.514 -12.364 1.00 0.00 H new ATOM 1682 N HIS A 103 -5.049 12.212 -13.889 1.00 0.00 N ATOM 1683 CA HIS A 103 -5.336 12.506 -15.291 1.00 0.00 C ATOM 1684 C HIS A 103 -4.335 11.821 -16.218 1.00 0.00 C ATOM 1685 O HIS A 103 -3.765 12.451 -17.110 1.00 0.00 O ATOM 1686 CB HIS A 103 -5.328 14.020 -15.527 1.00 0.00 C ATOM 1687 CG HIS A 103 -6.641 14.673 -15.225 1.00 0.00 C ATOM 1688 ND1 HIS A 103 -7.308 15.478 -16.125 1.00 0.00 N ATOM 1689 CD2 HIS A 103 -7.417 14.633 -14.115 1.00 0.00 C ATOM 1690 CE1 HIS A 103 -8.434 15.906 -15.584 1.00 0.00 C ATOM 1691 NE2 HIS A 103 -8.524 15.407 -14.365 1.00 0.00 N ATOM 0 H HIS A 103 -5.790 11.705 -13.406 1.00 0.00 H new ATOM 0 HA HIS A 103 -6.327 12.115 -15.520 1.00 0.00 H new ATOM 0 HB2 HIS A 103 -4.554 14.473 -14.908 1.00 0.00 H new ATOM 0 HB3 HIS A 103 -5.062 14.218 -16.565 1.00 0.00 H new ATOM 0 HD2 HIS A 103 -7.205 14.093 -13.204 1.00 0.00 H new ATOM 0 HE1 HIS A 103 -9.157 16.553 -16.058 1.00 0.00 H new ATOM 0 HE2 HIS A 103 -9.292 15.570 -13.714 1.00 0.00 H new ATOM 1699 N GLU A 104 -4.135 10.522 -16.007 1.00 0.00 N ATOM 1700 CA GLU A 104 -3.213 9.739 -16.826 1.00 0.00 C ATOM 1701 C GLU A 104 -1.882 10.461 -17.015 1.00 0.00 C ATOM 1702 O GLU A 104 -1.606 10.998 -18.088 1.00 0.00 O ATOM 1703 CB GLU A 104 -3.840 9.439 -18.190 1.00 0.00 C ATOM 1704 CG GLU A 104 -2.999 8.514 -19.058 1.00 0.00 C ATOM 1705 CD GLU A 104 -2.777 9.055 -20.458 1.00 0.00 C ATOM 1706 OE1 GLU A 104 -3.425 10.058 -20.822 1.00 0.00 O ATOM 1707 OE2 GLU A 104 -1.951 8.472 -21.192 1.00 0.00 O ATOM 0 H GLU A 104 -4.601 9.988 -15.273 1.00 0.00 H new ATOM 0 HA GLU A 104 -3.019 8.803 -16.303 1.00 0.00 H new ATOM 0 HB2 GLU A 104 -4.821 8.989 -18.038 1.00 0.00 H new ATOM 0 HB3 GLU A 104 -3.999 10.377 -18.722 1.00 0.00 H new ATOM 0 HG2 GLU A 104 -2.033 8.354 -18.579 1.00 0.00 H new ATOM 0 HG3 GLU A 104 -3.488 7.542 -19.123 1.00 0.00 H new ATOM 1714 N CYS A 105 -1.059 10.464 -15.972 1.00 0.00 N ATOM 1715 CA CYS A 105 0.246 11.112 -16.030 1.00 0.00 C ATOM 1716 C CYS A 105 1.227 10.290 -16.866 1.00 0.00 C ATOM 1717 O CYS A 105 2.264 9.846 -16.372 1.00 0.00 O ATOM 1718 CB CYS A 105 0.797 11.311 -14.616 1.00 0.00 C ATOM 1719 SG CYS A 105 1.675 12.871 -14.383 1.00 0.00 S ATOM 0 H CYS A 105 -1.272 10.025 -15.076 1.00 0.00 H new ATOM 0 HA CYS A 105 0.124 12.085 -16.506 1.00 0.00 H new ATOM 0 HB2 CYS A 105 -0.028 11.260 -13.905 1.00 0.00 H new ATOM 0 HB3 CYS A 105 1.471 10.488 -14.381 1.00 0.00 H new ATOM 0 HG CYS A 105 0.827 13.802 -14.061 1.00 0.00 H new ATOM 1724 N ASN A 106 0.888 10.091 -18.137 1.00 0.00 N ATOM 1725 CA ASN A 106 1.729 9.324 -19.046 1.00 0.00 C ATOM 1726 C ASN A 106 2.995 10.116 -19.423 1.00 0.00 C ATOM 1727 O ASN A 106 3.931 10.200 -18.626 1.00 0.00 O ATOM 1728 CB ASN A 106 0.911 8.917 -20.278 1.00 0.00 C ATOM 1729 CG ASN A 106 1.482 7.699 -20.972 1.00 0.00 C ATOM 1730 OD1 ASN A 106 0.985 6.587 -20.805 1.00 0.00 O ATOM 1731 ND2 ASN A 106 2.533 7.902 -21.752 1.00 0.00 N ATOM 0 H ASN A 106 0.033 10.453 -18.560 1.00 0.00 H new ATOM 0 HA ASN A 106 2.067 8.415 -18.549 1.00 0.00 H new ATOM 0 HB2 ASN A 106 -0.117 8.712 -19.977 1.00 0.00 H new ATOM 0 HB3 ASN A 106 0.878 9.750 -20.980 1.00 0.00 H new ATOM 0 HD21 ASN A 106 2.963 7.118 -22.243 1.00 0.00 H new ATOM 0 HD22 ASN A 106 2.913 8.842 -21.862 1.00 0.00 H new ATOM 1738 N ARG A 107 3.023 10.706 -20.623 1.00 0.00 N ATOM 1739 CA ARG A 107 4.176 11.496 -21.067 1.00 0.00 C ATOM 1740 C ARG A 107 3.870 12.999 -21.063 1.00 0.00 C ATOM 1741 O ARG A 107 3.957 13.650 -22.106 1.00 0.00 O ATOM 1742 CB ARG A 107 4.624 11.059 -22.471 1.00 0.00 C ATOM 1743 CG ARG A 107 3.499 11.013 -23.501 1.00 0.00 C ATOM 1744 CD ARG A 107 3.891 10.202 -24.730 1.00 0.00 C ATOM 1745 NE ARG A 107 3.485 8.804 -24.611 1.00 0.00 N ATOM 1746 CZ ARG A 107 3.705 7.877 -25.544 1.00 0.00 C ATOM 1747 NH1 ARG A 107 4.294 8.201 -26.690 1.00 0.00 N ATOM 1748 NH2 ARG A 107 3.323 6.622 -25.333 1.00 0.00 N ATOM 0 H ARG A 107 2.263 10.652 -21.302 1.00 0.00 H new ATOM 0 HA ARG A 107 4.984 11.313 -20.359 1.00 0.00 H new ATOM 0 HB2 ARG A 107 5.396 11.743 -22.823 1.00 0.00 H new ATOM 0 HB3 ARG A 107 5.080 10.071 -22.404 1.00 0.00 H new ATOM 0 HG2 ARG A 107 2.608 10.578 -23.047 1.00 0.00 H new ATOM 0 HG3 ARG A 107 3.240 12.028 -23.802 1.00 0.00 H new ATOM 0 HD2 ARG A 107 3.431 10.640 -25.616 1.00 0.00 H new ATOM 0 HD3 ARG A 107 4.970 10.256 -24.872 1.00 0.00 H new ATOM 0 HE ARG A 107 3.002 8.518 -23.759 1.00 0.00 H new ATOM 0 HH11 ARG A 107 4.581 9.165 -26.861 1.00 0.00 H new ATOM 0 HH12 ARG A 107 4.459 7.486 -27.399 1.00 0.00 H new ATOM 0 HH21 ARG A 107 2.862 6.369 -24.459 1.00 0.00 H new ATOM 0 HH22 ARG A 107 3.490 5.911 -26.045 1.00 0.00 H new ATOM 1762 N PRO A 108 3.504 13.585 -19.905 1.00 0.00 N ATOM 1763 CA PRO A 108 3.195 15.015 -19.827 1.00 0.00 C ATOM 1764 C PRO A 108 4.307 15.883 -20.399 1.00 0.00 C ATOM 1765 O PRO A 108 5.487 15.545 -20.297 1.00 0.00 O ATOM 1766 CB PRO A 108 3.046 15.281 -18.330 1.00 0.00 C ATOM 1767 CG PRO A 108 2.691 13.963 -17.738 1.00 0.00 C ATOM 1768 CD PRO A 108 3.360 12.919 -18.597 1.00 0.00 C ATOM 0 HA PRO A 108 2.305 15.259 -20.408 1.00 0.00 H new ATOM 0 HB2 PRO A 108 3.971 15.669 -17.904 1.00 0.00 H new ATOM 0 HB3 PRO A 108 2.271 16.022 -18.136 1.00 0.00 H new ATOM 0 HG2 PRO A 108 3.034 13.895 -16.706 1.00 0.00 H new ATOM 0 HG3 PRO A 108 1.610 13.821 -17.725 1.00 0.00 H new ATOM 0 HD2 PRO A 108 4.327 12.624 -18.189 1.00 0.00 H new ATOM 0 HD3 PRO A 108 2.756 12.015 -18.672 1.00 0.00 H new ATOM 1776 N ASP A 109 3.921 17.011 -20.988 1.00 0.00 N ATOM 1777 CA ASP A 109 4.881 17.945 -21.567 1.00 0.00 C ATOM 1778 C ASP A 109 5.391 18.925 -20.513 1.00 0.00 C ATOM 1779 O ASP A 109 5.850 20.021 -20.840 1.00 0.00 O ATOM 1780 CB ASP A 109 4.238 18.717 -22.722 1.00 0.00 C ATOM 1781 CG ASP A 109 2.982 19.455 -22.296 1.00 0.00 C ATOM 1782 OD1 ASP A 109 3.094 20.399 -21.486 1.00 0.00 O ATOM 1783 OD2 ASP A 109 1.887 19.090 -22.773 1.00 0.00 O ATOM 0 H ASP A 109 2.947 17.301 -21.077 1.00 0.00 H new ATOM 0 HA ASP A 109 5.726 17.370 -21.945 1.00 0.00 H new ATOM 0 HB2 ASP A 109 4.957 19.431 -23.123 1.00 0.00 H new ATOM 0 HB3 ASP A 109 3.994 18.024 -23.527 1.00 0.00 H new ATOM 1788 N THR A 110 5.299 18.528 -19.247 1.00 0.00 N ATOM 1789 CA THR A 110 5.739 19.362 -18.139 1.00 0.00 C ATOM 1790 C THR A 110 6.894 18.703 -17.400 1.00 0.00 C ATOM 1791 O THR A 110 7.304 17.592 -17.735 1.00 0.00 O ATOM 1792 CB THR A 110 4.578 19.642 -17.183 1.00 0.00 C ATOM 1793 OG1 THR A 110 3.615 18.602 -17.233 1.00 0.00 O ATOM 1794 CG2 THR A 110 3.878 20.950 -17.494 1.00 0.00 C ATOM 0 H THR A 110 4.919 17.625 -18.964 1.00 0.00 H new ATOM 0 HA THR A 110 6.088 20.313 -18.542 1.00 0.00 H new ATOM 0 HB THR A 110 5.017 19.703 -16.187 1.00 0.00 H new ATOM 0 HG1 THR A 110 3.291 18.412 -16.328 1.00 0.00 H new ATOM 0 HG21 THR A 110 3.062 21.103 -16.788 1.00 0.00 H new ATOM 0 HG22 THR A 110 4.589 21.772 -17.410 1.00 0.00 H new ATOM 0 HG23 THR A 110 3.479 20.917 -18.508 1.00 0.00 H new ATOM 1802 N ARG A 111 7.430 19.396 -16.404 1.00 0.00 N ATOM 1803 CA ARG A 111 8.552 18.872 -15.638 1.00 0.00 C ATOM 1804 C ARG A 111 8.059 18.033 -14.470 1.00 0.00 C ATOM 1805 O ARG A 111 7.417 18.537 -13.549 1.00 0.00 O ATOM 1806 CB ARG A 111 9.418 20.016 -15.115 1.00 0.00 C ATOM 1807 CG ARG A 111 10.682 20.245 -15.924 1.00 0.00 C ATOM 1808 CD ARG A 111 11.371 21.533 -15.510 1.00 0.00 C ATOM 1809 NE ARG A 111 12.501 21.857 -16.376 1.00 0.00 N ATOM 1810 CZ ARG A 111 12.384 22.155 -17.667 1.00 0.00 C ATOM 1811 NH1 ARG A 111 11.191 22.199 -18.244 1.00 0.00 N ATOM 1812 NH2 ARG A 111 13.466 22.427 -18.381 1.00 0.00 N ATOM 0 H ARG A 111 7.108 20.318 -16.109 1.00 0.00 H new ATOM 0 HA ARG A 111 9.148 18.243 -16.299 1.00 0.00 H new ATOM 0 HB2 ARG A 111 8.829 20.933 -15.111 1.00 0.00 H new ATOM 0 HB3 ARG A 111 9.692 19.809 -14.081 1.00 0.00 H new ATOM 0 HG2 ARG A 111 11.362 19.405 -15.787 1.00 0.00 H new ATOM 0 HG3 ARG A 111 10.436 20.286 -16.985 1.00 0.00 H new ATOM 0 HD2 ARG A 111 10.652 22.351 -15.533 1.00 0.00 H new ATOM 0 HD3 ARG A 111 11.718 21.443 -14.481 1.00 0.00 H new ATOM 0 HE ARG A 111 13.435 21.855 -15.967 1.00 0.00 H new ATOM 0 HH11 ARG A 111 10.352 22.003 -17.697 1.00 0.00 H new ATOM 0 HH12 ARG A 111 11.112 22.429 -19.235 1.00 0.00 H new ATOM 0 HH21 ARG A 111 14.386 22.408 -17.941 1.00 0.00 H new ATOM 0 HH22 ARG A 111 13.379 22.656 -19.371 1.00 0.00 H new ATOM 1826 N ILE A 112 8.367 16.748 -14.526 1.00 0.00 N ATOM 1827 CA ILE A 112 7.968 15.816 -13.490 1.00 0.00 C ATOM 1828 C ILE A 112 9.183 15.290 -12.733 1.00 0.00 C ATOM 1829 O ILE A 112 10.267 15.156 -13.300 1.00 0.00 O ATOM 1830 CB ILE A 112 7.193 14.630 -14.089 1.00 0.00 C ATOM 1831 CG1 ILE A 112 6.040 15.133 -14.958 1.00 0.00 C ATOM 1832 CG2 ILE A 112 6.672 13.730 -12.987 1.00 0.00 C ATOM 1833 CD1 ILE A 112 6.357 15.146 -16.435 1.00 0.00 C ATOM 0 H ILE A 112 8.898 16.325 -15.287 1.00 0.00 H new ATOM 0 HA ILE A 112 7.321 16.355 -12.798 1.00 0.00 H new ATOM 0 HB ILE A 112 7.872 14.052 -14.716 1.00 0.00 H new ATOM 0 HG12 ILE A 112 5.166 14.504 -14.788 1.00 0.00 H new ATOM 0 HG13 ILE A 112 5.772 16.142 -14.643 1.00 0.00 H new ATOM 0 HG21 ILE A 112 6.126 12.895 -13.427 1.00 0.00 H new ATOM 0 HG22 ILE A 112 7.509 13.348 -12.403 1.00 0.00 H new ATOM 0 HG23 ILE A 112 6.006 14.298 -12.338 1.00 0.00 H new ATOM 0 HD11 ILE A 112 5.494 15.514 -16.989 1.00 0.00 H new ATOM 0 HD12 ILE A 112 7.211 15.798 -16.618 1.00 0.00 H new ATOM 0 HD13 ILE A 112 6.596 14.135 -16.765 1.00 0.00 H new ATOM 1845 N ILE A 113 8.995 14.991 -11.454 1.00 0.00 N ATOM 1846 CA ILE A 113 10.070 14.478 -10.617 1.00 0.00 C ATOM 1847 C ILE A 113 9.547 13.370 -9.705 1.00 0.00 C ATOM 1848 O ILE A 113 8.507 13.525 -9.069 1.00 0.00 O ATOM 1849 CB ILE A 113 10.683 15.602 -9.754 1.00 0.00 C ATOM 1850 CG1 ILE A 113 11.112 16.783 -10.631 1.00 0.00 C ATOM 1851 CG2 ILE A 113 11.861 15.080 -8.947 1.00 0.00 C ATOM 1852 CD1 ILE A 113 12.258 16.461 -11.567 1.00 0.00 C ATOM 0 H ILE A 113 8.102 15.096 -10.972 1.00 0.00 H new ATOM 0 HA ILE A 113 10.842 14.077 -11.273 1.00 0.00 H new ATOM 0 HB ILE A 113 9.920 15.951 -9.058 1.00 0.00 H new ATOM 0 HG12 ILE A 113 10.257 17.117 -11.219 1.00 0.00 H new ATOM 0 HG13 ILE A 113 11.402 17.615 -9.989 1.00 0.00 H new ATOM 0 HG21 ILE A 113 12.277 15.889 -8.346 1.00 0.00 H new ATOM 0 HG22 ILE A 113 11.525 14.277 -8.291 1.00 0.00 H new ATOM 0 HG23 ILE A 113 12.626 14.700 -9.624 1.00 0.00 H new ATOM 0 HD11 ILE A 113 12.506 17.344 -12.155 1.00 0.00 H new ATOM 0 HD12 ILE A 113 13.128 16.156 -10.985 1.00 0.00 H new ATOM 0 HD13 ILE A 113 11.966 15.651 -12.235 1.00 0.00 H new ATOM 1864 N ARG A 114 10.261 12.250 -9.656 1.00 0.00 N ATOM 1865 CA ARG A 114 9.856 11.118 -8.828 1.00 0.00 C ATOM 1866 C ARG A 114 11.037 10.597 -8.010 1.00 0.00 C ATOM 1867 O ARG A 114 12.076 10.244 -8.564 1.00 0.00 O ATOM 1868 CB ARG A 114 9.306 9.991 -9.707 1.00 0.00 C ATOM 1869 CG ARG A 114 8.148 9.223 -9.086 1.00 0.00 C ATOM 1870 CD ARG A 114 7.183 8.724 -10.146 1.00 0.00 C ATOM 1871 NE ARG A 114 6.612 9.818 -10.920 1.00 0.00 N ATOM 1872 CZ ARG A 114 6.427 9.786 -12.238 1.00 0.00 C ATOM 1873 NH1 ARG A 114 6.842 8.751 -12.958 1.00 0.00 N ATOM 1874 NH2 ARG A 114 5.818 10.791 -12.841 1.00 0.00 N ATOM 0 H ARG A 114 11.123 12.101 -10.180 1.00 0.00 H new ATOM 0 HA ARG A 114 9.077 11.458 -8.145 1.00 0.00 H new ATOM 0 HB2 ARG A 114 8.979 10.413 -10.657 1.00 0.00 H new ATOM 0 HB3 ARG A 114 10.113 9.292 -9.929 1.00 0.00 H new ATOM 0 HG2 ARG A 114 8.534 8.378 -8.516 1.00 0.00 H new ATOM 0 HG3 ARG A 114 7.618 9.866 -8.383 1.00 0.00 H new ATOM 0 HD2 ARG A 114 7.702 8.038 -10.815 1.00 0.00 H new ATOM 0 HD3 ARG A 114 6.381 8.159 -9.670 1.00 0.00 H new ATOM 0 HE ARG A 114 6.336 10.663 -10.420 1.00 0.00 H new ATOM 0 HH11 ARG A 114 7.309 7.967 -12.502 1.00 0.00 H new ATOM 0 HH12 ARG A 114 6.694 8.739 -13.967 1.00 0.00 H new ATOM 0 HH21 ARG A 114 5.491 11.589 -12.297 1.00 0.00 H new ATOM 0 HH22 ARG A 114 5.675 10.769 -13.851 1.00 0.00 H new ATOM 1888 N GLU A 115 10.870 10.539 -6.692 1.00 0.00 N ATOM 1889 CA GLU A 115 11.927 10.046 -5.811 1.00 0.00 C ATOM 1890 C GLU A 115 11.411 8.916 -4.927 1.00 0.00 C ATOM 1891 O GLU A 115 10.246 8.908 -4.528 1.00 0.00 O ATOM 1892 CB GLU A 115 12.483 11.177 -4.942 1.00 0.00 C ATOM 1893 CG GLU A 115 13.563 10.730 -3.967 1.00 0.00 C ATOM 1894 CD GLU A 115 14.964 10.971 -4.493 1.00 0.00 C ATOM 1895 OE1 GLU A 115 15.124 11.835 -5.381 1.00 0.00 O ATOM 1896 OE2 GLU A 115 15.901 10.297 -4.017 1.00 0.00 O ATOM 0 H GLU A 115 10.017 10.826 -6.211 1.00 0.00 H new ATOM 0 HA GLU A 115 12.731 9.660 -6.438 1.00 0.00 H new ATOM 0 HB2 GLU A 115 12.890 11.953 -5.590 1.00 0.00 H new ATOM 0 HB3 GLU A 115 11.664 11.627 -4.381 1.00 0.00 H new ATOM 0 HG2 GLU A 115 13.437 11.262 -3.024 1.00 0.00 H new ATOM 0 HG3 GLU A 115 13.437 9.668 -3.754 1.00 0.00 H new ATOM 1903 N GLY A 116 12.289 7.966 -4.628 1.00 0.00 N ATOM 1904 CA GLY A 116 11.916 6.838 -3.796 1.00 0.00 C ATOM 1905 C GLY A 116 11.553 5.614 -4.614 1.00 0.00 C ATOM 1906 O GLY A 116 11.030 4.637 -4.079 1.00 0.00 O ATOM 0 H GLY A 116 13.257 7.957 -4.949 1.00 0.00 H new ATOM 0 HA2 GLY A 116 12.742 6.594 -3.128 1.00 0.00 H new ATOM 0 HA3 GLY A 116 11.070 7.117 -3.168 1.00 0.00 H new ATOM 1910 N ARG A 117 11.825 5.666 -5.918 1.00 0.00 N ATOM 1911 CA ARG A 117 11.514 4.552 -6.803 1.00 0.00 C ATOM 1912 C ARG A 117 10.015 4.263 -6.797 1.00 0.00 C ATOM 1913 O ARG A 117 9.574 3.216 -6.322 1.00 0.00 O ATOM 1914 CB ARG A 117 12.298 3.301 -6.387 1.00 0.00 C ATOM 1915 CG ARG A 117 13.788 3.542 -6.166 1.00 0.00 C ATOM 1916 CD ARG A 117 14.426 4.319 -7.312 1.00 0.00 C ATOM 1917 NE ARG A 117 14.849 3.445 -8.407 1.00 0.00 N ATOM 1918 CZ ARG A 117 16.073 3.447 -8.937 1.00 0.00 C ATOM 1919 NH1 ARG A 117 17.010 4.274 -8.484 1.00 0.00 N ATOM 1920 NH2 ARG A 117 16.363 2.615 -9.927 1.00 0.00 N ATOM 0 H ARG A 117 12.258 6.466 -6.380 1.00 0.00 H new ATOM 0 HA ARG A 117 11.809 4.827 -7.816 1.00 0.00 H new ATOM 0 HB2 ARG A 117 11.866 2.903 -5.469 1.00 0.00 H new ATOM 0 HB3 ARG A 117 12.175 2.537 -7.154 1.00 0.00 H new ATOM 0 HG2 ARG A 117 13.931 4.090 -5.235 1.00 0.00 H new ATOM 0 HG3 ARG A 117 14.296 2.584 -6.053 1.00 0.00 H new ATOM 0 HD2 ARG A 117 13.715 5.054 -7.690 1.00 0.00 H new ATOM 0 HD3 ARG A 117 15.287 4.872 -6.938 1.00 0.00 H new ATOM 0 HE ARG A 117 14.164 2.793 -8.789 1.00 0.00 H new ATOM 0 HH11 ARG A 117 16.797 4.918 -7.722 1.00 0.00 H new ATOM 0 HH12 ARG A 117 17.942 4.265 -8.899 1.00 0.00 H new ATOM 0 HH21 ARG A 117 15.651 1.976 -10.281 1.00 0.00 H new ATOM 0 HH22 ARG A 117 17.298 2.614 -10.335 1.00 0.00 H new ATOM 1934 N ILE A 118 9.239 5.206 -7.327 1.00 0.00 N ATOM 1935 CA ILE A 118 7.786 5.069 -7.390 1.00 0.00 C ATOM 1936 C ILE A 118 7.160 5.224 -6.007 1.00 0.00 C ATOM 1937 O ILE A 118 6.429 4.349 -5.541 1.00 0.00 O ATOM 1938 CB ILE A 118 7.370 3.713 -8.000 1.00 0.00 C ATOM 1939 CG1 ILE A 118 8.053 3.518 -9.357 1.00 0.00 C ATOM 1940 CG2 ILE A 118 5.855 3.627 -8.147 1.00 0.00 C ATOM 1941 CD1 ILE A 118 7.724 4.605 -10.356 1.00 0.00 C ATOM 0 H ILE A 118 9.595 6.077 -7.721 1.00 0.00 H new ATOM 0 HA ILE A 118 7.419 5.866 -8.037 1.00 0.00 H new ATOM 0 HB ILE A 118 7.689 2.917 -7.327 1.00 0.00 H new ATOM 0 HG12 ILE A 118 9.133 3.484 -9.211 1.00 0.00 H new ATOM 0 HG13 ILE A 118 7.757 2.554 -9.770 1.00 0.00 H new ATOM 0 HG21 ILE A 118 5.585 2.663 -8.579 1.00 0.00 H new ATOM 0 HG22 ILE A 118 5.388 3.729 -7.167 1.00 0.00 H new ATOM 0 HG23 ILE A 118 5.507 4.427 -8.800 1.00 0.00 H new ATOM 0 HD11 ILE A 118 8.241 4.405 -11.295 1.00 0.00 H new ATOM 0 HD12 ILE A 118 6.648 4.625 -10.531 1.00 0.00 H new ATOM 0 HD13 ILE A 118 8.046 5.570 -9.963 1.00 0.00 H new ATOM 1953 N SER A 119 7.450 6.348 -5.355 1.00 0.00 N ATOM 1954 CA SER A 119 6.916 6.620 -4.026 1.00 0.00 C ATOM 1955 C SER A 119 6.498 8.080 -3.882 1.00 0.00 C ATOM 1956 O SER A 119 5.436 8.379 -3.336 1.00 0.00 O ATOM 1957 CB SER A 119 7.955 6.270 -2.965 1.00 0.00 C ATOM 1958 OG SER A 119 8.172 4.871 -2.917 1.00 0.00 O ATOM 0 H SER A 119 8.051 7.083 -5.727 1.00 0.00 H new ATOM 0 HA SER A 119 6.030 6.000 -3.887 1.00 0.00 H new ATOM 0 HB2 SER A 119 8.892 6.781 -3.185 1.00 0.00 H new ATOM 0 HB3 SER A 119 7.620 6.624 -1.990 1.00 0.00 H new ATOM 0 HG SER A 119 9.064 4.666 -3.268 1.00 0.00 H new ATOM 1964 N LEU A 120 7.338 8.985 -4.372 1.00 0.00 N ATOM 1965 CA LEU A 120 7.049 10.414 -4.294 1.00 0.00 C ATOM 1966 C LEU A 120 7.250 11.086 -5.647 1.00 0.00 C ATOM 1967 O LEU A 120 8.026 10.608 -6.473 1.00 0.00 O ATOM 1968 CB LEU A 120 7.948 11.082 -3.254 1.00 0.00 C ATOM 1969 CG LEU A 120 8.138 10.297 -1.951 1.00 0.00 C ATOM 1970 CD1 LEU A 120 9.544 9.716 -1.869 1.00 0.00 C ATOM 1971 CD2 LEU A 120 7.854 11.184 -0.746 1.00 0.00 C ATOM 0 H LEU A 120 8.222 8.756 -4.826 1.00 0.00 H new ATOM 0 HA LEU A 120 6.006 10.528 -3.998 1.00 0.00 H new ATOM 0 HB2 LEU A 120 8.927 11.254 -3.701 1.00 0.00 H new ATOM 0 HB3 LEU A 120 7.532 12.060 -3.012 1.00 0.00 H new ATOM 0 HG LEU A 120 7.428 9.470 -1.945 1.00 0.00 H new ATOM 0 HD11 LEU A 120 9.655 9.163 -0.936 1.00 0.00 H new ATOM 0 HD12 LEU A 120 9.710 9.044 -2.711 1.00 0.00 H new ATOM 0 HD13 LEU A 120 10.274 10.525 -1.901 1.00 0.00 H new ATOM 0 HD21 LEU A 120 7.994 10.610 0.170 1.00 0.00 H new ATOM 0 HD22 LEU A 120 8.538 12.033 -0.750 1.00 0.00 H new ATOM 0 HD23 LEU A 120 6.827 11.545 -0.794 1.00 0.00 H new ATOM 1983 N LEU A 121 6.563 12.209 -5.861 1.00 0.00 N ATOM 1984 CA LEU A 121 6.683 12.953 -7.114 1.00 0.00 C ATOM 1985 C LEU A 121 5.902 14.262 -7.064 1.00 0.00 C ATOM 1986 O LEU A 121 5.101 14.486 -6.156 1.00 0.00 O ATOM 1987 CB LEU A 121 6.183 12.118 -8.299 1.00 0.00 C ATOM 1988 CG LEU A 121 4.784 11.506 -8.137 1.00 0.00 C ATOM 1989 CD1 LEU A 121 4.007 11.587 -9.448 1.00 0.00 C ATOM 1990 CD2 LEU A 121 4.881 10.061 -7.670 1.00 0.00 C ATOM 0 H LEU A 121 5.920 12.622 -5.185 1.00 0.00 H new ATOM 0 HA LEU A 121 7.741 13.177 -7.248 1.00 0.00 H new ATOM 0 HB2 LEU A 121 6.184 12.747 -9.189 1.00 0.00 H new ATOM 0 HB3 LEU A 121 6.894 11.312 -8.478 1.00 0.00 H new ATOM 0 HG LEU A 121 4.248 12.079 -7.380 1.00 0.00 H new ATOM 0 HD11 LEU A 121 3.018 11.148 -9.313 1.00 0.00 H new ATOM 0 HD12 LEU A 121 3.903 12.630 -9.746 1.00 0.00 H new ATOM 0 HD13 LEU A 121 4.544 11.040 -10.223 1.00 0.00 H new ATOM 0 HD21 LEU A 121 3.879 9.646 -7.561 1.00 0.00 H new ATOM 0 HD22 LEU A 121 5.438 9.478 -8.404 1.00 0.00 H new ATOM 0 HD23 LEU A 121 5.396 10.023 -6.710 1.00 0.00 H new ATOM 2002 N LYS A 122 6.133 15.122 -8.053 1.00 0.00 N ATOM 2003 CA LYS A 122 5.440 16.403 -8.132 1.00 0.00 C ATOM 2004 C LYS A 122 4.606 16.478 -9.404 1.00 0.00 C ATOM 2005 O LYS A 122 4.995 15.950 -10.447 1.00 0.00 O ATOM 2006 CB LYS A 122 6.431 17.566 -8.106 1.00 0.00 C ATOM 2007 CG LYS A 122 5.760 18.917 -7.900 1.00 0.00 C ATOM 2008 CD LYS A 122 6.319 19.651 -6.690 1.00 0.00 C ATOM 2009 CE LYS A 122 5.268 19.822 -5.602 1.00 0.00 C ATOM 2010 NZ LYS A 122 4.162 20.724 -6.026 1.00 0.00 N ATOM 0 H LYS A 122 6.795 14.954 -8.810 1.00 0.00 H new ATOM 0 HA LYS A 122 4.786 16.480 -7.264 1.00 0.00 H new ATOM 0 HB2 LYS A 122 7.155 17.401 -7.308 1.00 0.00 H new ATOM 0 HB3 LYS A 122 6.988 17.582 -9.043 1.00 0.00 H new ATOM 0 HG2 LYS A 122 5.897 19.530 -8.791 1.00 0.00 H new ATOM 0 HG3 LYS A 122 4.687 18.774 -7.773 1.00 0.00 H new ATOM 0 HD2 LYS A 122 7.170 19.099 -6.291 1.00 0.00 H new ATOM 0 HD3 LYS A 122 6.689 20.630 -6.996 1.00 0.00 H new ATOM 0 HE2 LYS A 122 4.859 18.847 -5.338 1.00 0.00 H new ATOM 0 HE3 LYS A 122 5.738 20.224 -4.705 1.00 0.00 H new ATOM 0 HZ1 LYS A 122 3.552 20.933 -5.210 1.00 0.00 H new ATOM 0 HZ2 LYS A 122 4.560 21.610 -6.397 1.00 0.00 H new ATOM 0 HZ3 LYS A 122 3.600 20.259 -6.768 1.00 0.00 H new ATOM 2024 N CYS A 123 3.459 17.132 -9.311 1.00 0.00 N ATOM 2025 CA CYS A 123 2.570 17.273 -10.453 1.00 0.00 C ATOM 2026 C CYS A 123 1.896 18.641 -10.445 1.00 0.00 C ATOM 2027 O CYS A 123 0.672 18.746 -10.512 1.00 0.00 O ATOM 2028 CB CYS A 123 1.521 16.165 -10.441 1.00 0.00 C ATOM 2029 SG CYS A 123 2.125 14.579 -11.063 1.00 0.00 S ATOM 0 H CYS A 123 3.122 17.574 -8.456 1.00 0.00 H new ATOM 0 HA CYS A 123 3.161 17.189 -11.365 1.00 0.00 H new ATOM 0 HB2 CYS A 123 1.160 16.031 -9.421 1.00 0.00 H new ATOM 0 HB3 CYS A 123 0.668 16.479 -11.042 1.00 0.00 H new ATOM 0 HG CYS A 123 1.117 13.789 -11.289 1.00 0.00 H new ATOM 2034 N GLU A 124 2.709 19.684 -10.357 1.00 0.00 N ATOM 2035 CA GLU A 124 2.204 21.052 -10.334 1.00 0.00 C ATOM 2036 C GLU A 124 1.340 21.340 -11.555 1.00 0.00 C ATOM 2037 O GLU A 124 0.389 22.119 -11.489 1.00 0.00 O ATOM 2038 CB GLU A 124 3.368 22.040 -10.285 1.00 0.00 C ATOM 2039 CG GLU A 124 4.186 21.942 -9.009 1.00 0.00 C ATOM 2040 CD GLU A 124 4.319 23.270 -8.290 1.00 0.00 C ATOM 2041 OE1 GLU A 124 3.509 24.180 -8.565 1.00 0.00 O ATOM 2042 OE2 GLU A 124 5.230 23.397 -7.446 1.00 0.00 O ATOM 0 H GLU A 124 3.725 19.610 -10.300 1.00 0.00 H new ATOM 0 HA GLU A 124 1.589 21.168 -9.442 1.00 0.00 H new ATOM 0 HB2 GLU A 124 4.020 21.865 -11.141 1.00 0.00 H new ATOM 0 HB3 GLU A 124 2.979 23.054 -10.382 1.00 0.00 H new ATOM 0 HG2 GLU A 124 3.721 21.217 -8.340 1.00 0.00 H new ATOM 0 HG3 GLU A 124 5.180 21.563 -9.249 1.00 0.00 H new ATOM 2049 N ALA A 125 1.686 20.710 -12.668 1.00 0.00 N ATOM 2050 CA ALA A 125 0.957 20.896 -13.914 1.00 0.00 C ATOM 2051 C ALA A 125 -0.438 20.284 -13.841 1.00 0.00 C ATOM 2052 O ALA A 125 -1.436 20.998 -13.740 1.00 0.00 O ATOM 2053 CB ALA A 125 1.744 20.296 -15.066 1.00 0.00 C ATOM 0 H ALA A 125 2.471 20.062 -12.733 1.00 0.00 H new ATOM 0 HA ALA A 125 0.836 21.966 -14.082 1.00 0.00 H new ATOM 0 HB1 ALA A 125 1.193 20.438 -15.996 1.00 0.00 H new ATOM 0 HB2 ALA A 125 2.714 20.788 -15.140 1.00 0.00 H new ATOM 0 HB3 ALA A 125 1.890 19.230 -14.891 1.00 0.00 H new ATOM 2059 N CYS A 126 -0.503 18.957 -13.891 1.00 0.00 N ATOM 2060 CA CYS A 126 -1.780 18.254 -13.829 1.00 0.00 C ATOM 2061 C CYS A 126 -2.292 18.192 -12.393 1.00 0.00 C ATOM 2062 O CYS A 126 -2.603 17.118 -11.876 1.00 0.00 O ATOM 2063 CB CYS A 126 -1.631 16.840 -14.398 1.00 0.00 C ATOM 2064 SG CYS A 126 -0.546 15.766 -13.431 1.00 0.00 S ATOM 0 H CYS A 126 0.311 18.348 -13.974 1.00 0.00 H new ATOM 0 HA CYS A 126 -2.505 18.803 -14.429 1.00 0.00 H new ATOM 0 HB2 CYS A 126 -2.617 16.380 -14.462 1.00 0.00 H new ATOM 0 HB3 CYS A 126 -1.245 16.908 -15.415 1.00 0.00 H new ATOM 0 HG CYS A 126 -0.965 15.720 -12.201 1.00 0.00 H new ATOM 2069 N GLY A 127 -2.376 19.353 -11.750 1.00 0.00 N ATOM 2070 CA GLY A 127 -2.844 19.409 -10.380 1.00 0.00 C ATOM 2071 C GLY A 127 -1.714 19.622 -9.394 1.00 0.00 C ATOM 2072 O GLY A 127 -0.987 20.612 -9.477 1.00 0.00 O ATOM 0 H GLY A 127 -2.128 20.256 -12.155 1.00 0.00 H new ATOM 0 HA2 GLY A 127 -3.568 20.217 -10.279 1.00 0.00 H new ATOM 0 HA3 GLY A 127 -3.364 18.482 -10.138 1.00 0.00 H new ATOM 2076 N ALA A 128 -1.565 18.691 -8.458 1.00 0.00 N ATOM 2077 CA ALA A 128 -0.515 18.780 -7.453 1.00 0.00 C ATOM 2078 C ALA A 128 -0.107 17.395 -6.965 1.00 0.00 C ATOM 2079 O ALA A 128 -0.907 16.459 -6.982 1.00 0.00 O ATOM 2080 CB ALA A 128 -0.971 19.638 -6.284 1.00 0.00 C ATOM 0 H ALA A 128 -2.159 17.866 -8.375 1.00 0.00 H new ATOM 0 HA ALA A 128 0.355 19.248 -7.914 1.00 0.00 H new ATOM 0 HB1 ALA A 128 -0.175 19.694 -5.542 1.00 0.00 H new ATOM 0 HB2 ALA A 128 -1.208 20.641 -6.639 1.00 0.00 H new ATOM 0 HB3 ALA A 128 -1.858 19.195 -5.832 1.00 0.00 H new ATOM 2086 N LYS A 129 1.138 17.272 -6.527 1.00 0.00 N ATOM 2087 CA LYS A 129 1.655 16.005 -6.028 1.00 0.00 C ATOM 2088 C LYS A 129 2.719 16.253 -4.966 1.00 0.00 C ATOM 2089 O LYS A 129 3.362 17.300 -4.964 1.00 0.00 O ATOM 2090 CB LYS A 129 2.235 15.180 -7.178 1.00 0.00 C ATOM 2091 CG LYS A 129 1.281 14.129 -7.717 1.00 0.00 C ATOM 2092 CD LYS A 129 1.065 13.010 -6.713 1.00 0.00 C ATOM 2093 CE LYS A 129 1.327 11.649 -7.334 1.00 0.00 C ATOM 2094 NZ LYS A 129 0.304 10.648 -6.929 1.00 0.00 N ATOM 0 H LYS A 129 1.812 18.038 -6.507 1.00 0.00 H new ATOM 0 HA LYS A 129 0.835 15.445 -5.577 1.00 0.00 H new ATOM 0 HB2 LYS A 129 2.517 15.852 -7.989 1.00 0.00 H new ATOM 0 HB3 LYS A 129 3.147 14.690 -6.838 1.00 0.00 H new ATOM 0 HG2 LYS A 129 0.325 14.593 -7.958 1.00 0.00 H new ATOM 0 HG3 LYS A 129 1.678 13.716 -8.644 1.00 0.00 H new ATOM 0 HD2 LYS A 129 1.725 13.154 -5.858 1.00 0.00 H new ATOM 0 HD3 LYS A 129 0.043 13.049 -6.337 1.00 0.00 H new ATOM 0 HE2 LYS A 129 1.335 11.741 -8.420 1.00 0.00 H new ATOM 0 HE3 LYS A 129 2.315 11.299 -7.037 1.00 0.00 H new ATOM 0 HZ1 LYS A 129 0.519 9.733 -7.374 1.00 0.00 H new ATOM 0 HZ2 LYS A 129 0.314 10.541 -5.895 1.00 0.00 H new ATOM 0 HZ3 LYS A 129 -0.637 10.970 -7.235 1.00 0.00 H new ATOM 2108 N ALA A 130 2.892 15.296 -4.061 1.00 0.00 N ATOM 2109 CA ALA A 130 3.879 15.424 -2.992 1.00 0.00 C ATOM 2110 C ALA A 130 5.262 14.952 -3.455 1.00 0.00 C ATOM 2111 O ALA A 130 5.510 13.752 -3.571 1.00 0.00 O ATOM 2112 CB ALA A 130 3.429 14.642 -1.767 1.00 0.00 C ATOM 0 H ALA A 130 2.363 14.424 -4.045 1.00 0.00 H new ATOM 0 HA ALA A 130 3.959 16.478 -2.727 1.00 0.00 H new ATOM 0 HB1 ALA A 130 4.172 14.745 -0.977 1.00 0.00 H new ATOM 0 HB2 ALA A 130 2.472 15.031 -1.418 1.00 0.00 H new ATOM 0 HB3 ALA A 130 3.319 13.589 -2.027 1.00 0.00 H new ATOM 2118 N PRO A 131 6.181 15.897 -3.735 1.00 0.00 N ATOM 2119 CA PRO A 131 7.539 15.576 -4.194 1.00 0.00 C ATOM 2120 C PRO A 131 8.416 14.991 -3.089 1.00 0.00 C ATOM 2121 O PRO A 131 8.588 13.777 -2.998 1.00 0.00 O ATOM 2122 CB PRO A 131 8.086 16.929 -4.657 1.00 0.00 C ATOM 2123 CG PRO A 131 7.319 17.943 -3.880 1.00 0.00 C ATOM 2124 CD PRO A 131 5.959 17.350 -3.637 1.00 0.00 C ATOM 0 HA PRO A 131 7.532 14.813 -4.972 1.00 0.00 H new ATOM 0 HB2 PRO A 131 9.156 17.009 -4.463 1.00 0.00 H new ATOM 0 HB3 PRO A 131 7.946 17.065 -5.729 1.00 0.00 H new ATOM 0 HG2 PRO A 131 7.818 18.170 -2.938 1.00 0.00 H new ATOM 0 HG3 PRO A 131 7.242 18.879 -4.433 1.00 0.00 H new ATOM 0 HD2 PRO A 131 5.571 17.629 -2.657 1.00 0.00 H new ATOM 0 HD3 PRO A 131 5.236 17.694 -4.376 1.00 0.00 H new